Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pw7_p.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 HIS 5.A NE2 no hydrogen 3.114 N/A THR 4.A OG1 HIS 2.A O no hydrogen 3.342 N/A HIS 8.A NE2 GLU 63.A OE1 no hydrogen 2.700 N/A THR 18.A N PRO 14.A O no hydrogen 2.959 N/A THR 18.A OG1 PRO 14.A O no hydrogen 3.406 N/A THR 18.A OG1 TRP 15.A O no hydrogen 3.121 N/A GLY 19.A N TRP 15.A O no hydrogen 2.878 N/A ALA 20.A N PRO 16.A O no hydrogen 2.938 N/A PHE 21.A N LEU 17.A O no hydrogen 2.929 N/A SER 22.A N THR 18.A O no hydrogen 2.851 N/A SER 22.A OG THR 18.A O no hydrogen 3.412 N/A SER 22.A OG GLY 19.A O no hydrogen 2.480 N/A ALA 23.A N GLY 19.A O no hydrogen 2.928 N/A LEU 24.A N ALA 20.A O no hydrogen 2.998 N/A LEU 25.A N PHE 21.A O no hydrogen 2.868 N/A LEU 26.A N SER 22.A O no hydrogen 2.852 N/A THR 27.A N ALA 23.A O no hydrogen 2.985 N/A THR 27.A OG1 ALA 23.A O no hydrogen 3.394 N/A THR 27.A OG1 LEU 24.A O no hydrogen 2.996 N/A SER 28.A N LEU 24.A O no hydrogen 2.928 N/A SER 28.A OG LEU 24.A O no hydrogen 3.188 N/A SER 28.A OG LEU 25.A O no hydrogen 2.755 N/A GLY 29.A N LEU 25.A O no hydrogen 2.885 N/A LEU 30.A N LEU 26.A O no hydrogen 2.906 N/A VAL 31.A N THR 27.A O no hydrogen 2.974 N/A MET 32.A N SER 28.A O no hydrogen 2.875 N/A TRP 33.A N GLY 29.A O no hydrogen 2.897 N/A PHE 34.A N LEU 30.A O no hydrogen 2.887 N/A HIS 35.A N VAL 31.A O no hydrogen 2.950 N/A HIS 35.A ND1 VAL 31.A O no hydrogen 2.621 N/A TYR 36.A N MET 32.A O no hydrogen 2.991 N/A SER 38.A N MET 32.A O no hydrogen 3.313 N/A SER 38.A OG MET 32.A O no hydrogen 3.313 N/A THR 43.A N ILE 39.A O no hydrogen 2.910 N/A THR 43.A OG1 ILE 39.A O no hydrogen 3.293 N/A THR 43.A OG1 THR 40.A O no hydrogen 2.692 N/A LEU 44.A N THR 40.A O no hydrogen 2.919 N/A GLY 45.A N LEU 41.A O no hydrogen 2.850 N/A LEU 46.A N LEU 42.A O no hydrogen 2.946 N/A LEU 47.A N THR 43.A O no hydrogen 2.930 N/A THR 48.A N LEU 44.A O no hydrogen 2.869 N/A THR 48.A OG1 LEU 44.A O no hydrogen 2.653 N/A THR 48.A OG1 GLY 45.A O no hydrogen 2.665 N/A ASN 49.A N GLY 45.A O no hydrogen 2.964 N/A ILE 50.A N LEU 46.A O no hydrogen 3.010 N/A LEU 51.A N LEU 47.A O no hydrogen 2.967 N/A THR 52.A N THR 48.A O no hydrogen 2.904 N/A THR 52.A OG1 THR 48.A O no hydrogen 2.452 N/A MET 53.A N ASN 49.A O no hydrogen 2.919 N/A TYR 54.A N ILE 50.A O no hydrogen 2.997 N/A GLN 55.A N LEU 51.A O no hydrogen 2.953 N/A GLN 55.A N GLN 55.A OE1 no hydrogen 3.211 N/A TRP 56.A N THR 52.A O no hydrogen 2.897 N/A TRP 57.A N MET 53.A O no hydrogen 3.046 N/A ARG 58.A N TYR 54.A O no hydrogen 2.853 N/A ASP 59.A N GLN 55.A O no hydrogen 2.832 N/A VAL 60.A N TRP 56.A O no hydrogen 3.015 N/A ILE 61.A N TRP 57.A O no hydrogen 2.898 N/A ARG 62.A N ARG 58.A O no hydrogen 2.970 N/A GLU 63.A N ASP 59.A O no hydrogen 2.914 N/A GLY 64.A N VAL 60.A O no hydrogen 2.886 N/A THR 65.A N ILE 61.A O no hydrogen 2.939 N/A TYR 66.A OH HIS 225.A NE2 no hydrogen 2.689 N/A GLN 67.A N ARG 62.A O no hydrogen 3.385 N/A GLY 68.A N GLY 64.A O no hydrogen 3.019 N/A HIS 69.A ND1 GLU 63.A OE2 no hydrogen 2.761 N/A THR 71.A N HIS 69.A O no hydrogen 2.982 N/A THR 71.A OG1 ALA 6.A O no hydrogen 2.834 N/A THR 71.A OG1 HIS 69.A O no hydrogen 3.561 N/A GLN 75.A N THR 71.A O no hydrogen 2.944 N/A GLN 75.A N GLN 75.A OE1 no hydrogen 2.970 N/A LYS 76.A N PRO 72.A O no hydrogen 2.911 N/A GLY 77.A N ILE 73.A O no hydrogen 2.957 N/A LEU 78.A N VAL 74.A O no hydrogen 2.821 N/A ARG 79.A N GLN 75.A O no hydrogen 2.850 N/A ARG 79.A NH1 GLU 235.A OE2 no hydrogen 2.845 N/A ARG 79.A NH2 GLU 235.A OE2 no hydrogen 2.895 N/A TYR 80.A N LYS 76.A O no hydrogen 3.000 N/A GLY 81.A N GLY 77.A O no hydrogen 2.857 N/A MET 82.A N LEU 78.A O no hydrogen 2.849 N/A ILE 83.A N ARG 79.A O no hydrogen 2.926 N/A LEU 84.A N TYR 80.A O no hydrogen 2.886 N/A PHE 85.A N GLY 81.A O no hydrogen 2.911 N/A ILE 86.A N MET 82.A O no hydrogen 2.864 N/A VAL 87.A N ILE 83.A O no hydrogen 2.903 N/A SER 88.A N LEU 84.A O no hydrogen 2.938 N/A SER 88.A OG LEU 84.A O no hydrogen 3.346 N/A SER 88.A OG PHE 85.A O no hydrogen 2.438 N/A GLU 89.A N PHE 85.A O no hydrogen 2.957 N/A VAL 90.A N ILE 86.A O no hydrogen 2.827 N/A PHE 91.A N VAL 87.A O no hydrogen 2.976 N/A PHE 92.A N SER 88.A O no hydrogen 2.882 N/A PHE 93.A N GLU 89.A O no hydrogen 2.907 N/A ALA 94.A N VAL 90.A O no hydrogen 2.785 N/A GLY 95.A N PHE 91.A O no hydrogen 2.865 N/A PHE 96.A N PHE 92.A O no hydrogen 3.117 N/A PHE 97.A N PHE 93.A O no hydrogen 2.740 N/A TRP 98.A N ALA 94.A O no hydrogen 2.844 N/A ALA 99.A N GLY 95.A O no hydrogen 2.923 N/A PHE 100.A N PHE 96.A O no hydrogen 2.979 N/A TYR 101.A N PHE 97.A O no hydrogen 2.805 N/A TYR 101.A OH SER 254.A OG no hydrogen 2.509 N/A HIS 102.A N TRP 98.A O no hydrogen 2.856 N/A HIS 102.A ND1 HIS 102.A O no hydrogen 2.805 N/A SER 103.A N ALA 99.A O no hydrogen 2.961 N/A SER 103.A OG ALA 99.A O no hydrogen 3.371 N/A SER 103.A OG PHE 100.A O no hydrogen 2.520 N/A SER 104.A N PHE 100.A O no hydrogen 2.859 N/A LEU 105.A N TYR 101.A O no hydrogen 2.845 N/A THR 108.A OG1 ASP 110.A OD1 no hydrogen 2.268 N/A LEU 111.A N THR 108.A O no hydrogen 3.164 N/A CYS 114.A SG LEU 111.A O no hydrogen 3.782 N/A CYS 114.A SG PRO 116.A O no hydrogen 3.613 N/A SER 121.A OG SER 121.A O no hydrogen 2.618 N/A SER 121.A OG SER 184.A OG no hydrogen 2.852 N/A LEU 131.A N GLU 127.A O no hydrogen 2.923 N/A ASN 132.A N VAL 128.A O no hydrogen 2.892 N/A THR 133.A N PRO 129.A O no hydrogen 2.940 N/A THR 133.A OG1 PRO 129.A O no hydrogen 3.524 N/A THR 133.A OG1 LEU 130.A O no hydrogen 2.644 N/A SER 134.A N LEU 130.A O no hydrogen 2.868 N/A SER 134.A OG LEU 130.A O no hydrogen 3.283 N/A SER 134.A OG LEU 131.A O no hydrogen 2.567 N/A VAL 135.A N LEU 131.A O no hydrogen 2.872 N/A LEU 136.A N ASN 132.A O no hydrogen 2.985 N/A LEU 137.A N THR 133.A O no hydrogen 2.890 N/A ALA 138.A N SER 134.A O no hydrogen 2.873 N/A SER 139.A N VAL 135.A O no hydrogen 2.949 N/A SER 139.A OG VAL 135.A O no hydrogen 3.390 N/A SER 139.A OG LEU 136.A O no hydrogen 2.406 N/A GLY 140.A N LEU 136.A O no hydrogen 2.914 N/A VAL 141.A N LEU 137.A O no hydrogen 2.920 N/A SER 142.A N ALA 138.A O no hydrogen 2.899 N/A SER 142.A OG ALA 138.A O no hydrogen 3.253 N/A SER 142.A OG SER 139.A O no hydrogen 2.515 N/A ILE 143.A N SER 139.A O no hydrogen 2.927 N/A THR 144.A N GLY 140.A O no hydrogen 2.989 N/A THR 144.A OG1 GLY 140.A O no hydrogen 3.553 N/A THR 144.A OG1 VAL 141.A O no hydrogen 2.450 N/A TRP 145.A N VAL 141.A O no hydrogen 2.950 N/A ALA 146.A N SER 142.A O no hydrogen 2.835 N/A HIS 147.A N ILE 143.A O no hydrogen 2.896 N/A HIS 148.A N THR 144.A O no hydrogen 2.978 N/A SER 149.A N TRP 145.A O no hydrogen 2.858 N/A SER 149.A OG TRP 145.A O no hydrogen 3.047 N/A SER 149.A OG ALA 146.A O no hydrogen 2.743 N/A LEU 150.A N ALA 146.A O no hydrogen 2.861 N/A MET 151.A N HIS 147.A O no hydrogen 2.986 N/A GLU 152.A N HIS 148.A O no hydrogen 2.896 N/A GLY 153.A N SER 149.A O no hydrogen 2.843 N/A LYS 154.A N SER 149.A O no hydrogen 3.460 N/A ARG 155.A NH1 GLN 221.A O no hydrogen 2.583 N/A ARG 155.A NH2 GLN 221.A O no hydrogen 3.320 N/A ARG 155.A NH2 LEU 222.A O no hydrogen 3.152 N/A HIS 157.A N ASN 156.A OD1 no hydrogen 2.705 N/A MET 158.A N LYS 154.A O no hydrogen 2.983 N/A ASN 159.A N ARG 155.A O no hydrogen 2.883 N/A ASN 159.A ND2 GLN 221.A OE1 no hydrogen 2.766 N/A GLN 160.A N ASN 156.A O no hydrogen 2.891 N/A ALA 161.A N HIS 157.A O no hydrogen 2.933 N/A LEU 162.A N MET 158.A O no hydrogen 2.964 N/A LEU 163.A N ASN 159.A O no hydrogen 2.890 N/A ILE 164.A N GLN 160.A O no hydrogen 2.899 N/A THR 165.A N ALA 161.A O no hydrogen 3.025 N/A ILE 166.A N LEU 162.A O no hydrogen 2.961 N/A MET 167.A N LEU 163.A O no hydrogen 2.935 N/A LEU 168.A N ILE 164.A O no hydrogen 2.894 N/A GLY 169.A N THR 165.A O no hydrogen 2.920 N/A LEU 170.A N ILE 166.A O no hydrogen 2.919 N/A TYR 171.A N MET 167.A O no hydrogen 2.956 N/A PHE 172.A N LEU 168.A O no hydrogen 2.918 N/A THR 173.A N GLY 169.A O no hydrogen 2.962 N/A THR 173.A OG1 GLY 169.A O no hydrogen 3.393 N/A THR 173.A OG1 LEU 170.A O no hydrogen 2.709 N/A ILE 174.A N LEU 170.A O no hydrogen 2.936 N/A LEU 175.A N TYR 171.A O no hydrogen 2.943 N/A GLN 176.A N PHE 172.A O no hydrogen 2.969 N/A ALA 177.A N THR 173.A O no hydrogen 2.992 N/A SER 178.A N ILE 174.A O no hydrogen 2.930 N/A SER 178.A OG LEU 175.A O no hydrogen 2.444 N/A SER 178.A OG GLU 179.A OE1 no hydrogen 3.027 N/A GLU 179.A N LEU 175.A O no hydrogen 2.925 N/A TYR 180.A N GLN 176.A O no hydrogen 2.894 N/A TYR 180.A OH THR 200.A OG1 no hydrogen 3.106 N/A PHE 181.A N ALA 177.A O no hydrogen 2.933 N/A SER 184.A OG SER 121.A O no hydrogen 2.822 N/A SER 184.A OG SER 121.A OG no hydrogen 2.852 N/A SER 186.A N ASP 189.A OD2 no hydrogen 3.087 N/A SER 186.A OG SER 188.A OG no hydrogen 3.010 N/A SER 186.A OG ASP 189.A OD1 no hydrogen 2.948 N/A SER 188.A OG SER 186.A OG no hydrogen 3.010 N/A SER 188.A OG ASP 189.A OD1 no hydrogen 3.150 N/A ASP 189.A N SER 186.A O no hydrogen 3.196 N/A SER 194.A N GLY 190.A O no hydrogen 2.906 N/A SER 194.A OG GLY 190.A O no hydrogen 2.737 N/A SER 194.A OG ILE 191.A O no hydrogen 2.570 N/A THR 195.A N ILE 191.A O no hydrogen 2.954 N/A PHE 196.A N TYR 192.A O no hydrogen 3.022 N/A PHE 197.A N GLY 193.A O no hydrogen 2.951 N/A MET 198.A N SER 194.A O no hydrogen 2.966 N/A ALA 199.A N THR 195.A O no hydrogen 2.946 N/A THR 200.A N PHE 196.A O no hydrogen 2.821 N/A THR 200.A OG1 TYR 180.A OH no hydrogen 3.106 N/A THR 200.A OG1 PHE 196.A O no hydrogen 2.328 N/A THR 200.A OG1 PHE 197.A O no hydrogen 3.179 N/A GLY 201.A N PHE 197.A O no hydrogen 2.915 N/A PHE 202.A N MET 198.A O no hydrogen 2.906 N/A HIS 203.A N ALA 199.A O no hydrogen 2.910 N/A GLY 204.A N THR 200.A O no hydrogen 2.826 N/A LEU 205.A N GLY 201.A O no hydrogen 2.886 N/A HIS 206.A N PHE 202.A O no hydrogen 3.032 N/A HIS 206.A ND1 PHE 202.A O no hydrogen 2.855 N/A VAL 207.A N HIS 203.A O no hydrogen 2.844 N/A ILE 208.A N GLY 204.A O no hydrogen 2.944 N/A ILE 209.A N LEU 205.A O no hydrogen 3.031 N/A GLY 210.A N HIS 206.A O no hydrogen 2.885 N/A SER 211.A N VAL 207.A O no hydrogen 2.853 N/A SER 211.A OG VAL 207.A O no hydrogen 3.291 N/A SER 211.A OG ILE 208.A O no hydrogen 2.779 N/A THR 212.A N ILE 208.A O no hydrogen 2.943 N/A THR 212.A OG1 ILE 208.A O no hydrogen 2.849 N/A THR 212.A OG1 ILE 209.A O no hydrogen 2.559 N/A PHE 213.A N ILE 209.A O no hydrogen 2.947 N/A LEU 214.A N GLY 210.A O no hydrogen 2.913 N/A ILE 215.A N SER 211.A O no hydrogen 2.861 N/A VAL 216.A N THR 212.A O no hydrogen 2.952 N/A CYS 217.A N PHE 213.A O no hydrogen 2.943 N/A CYS 217.A SG LEU 214.A O no hydrogen 3.186 N/A LEU 218.A N LEU 214.A O no hydrogen 2.927 N/A LEU 219.A N ILE 215.A O no hydrogen 2.994 N/A ARG 220.A N VAL 216.A O no hydrogen 2.914 N/A ARG 220.A NE HIS 225.A ND1 no hydrogen 3.669 N/A GLN 221.A N CYS 217.A O no hydrogen 2.923 N/A LEU 222.A N LEU 218.A O no hydrogen 2.893 N/A LYS 223.A N ARG 220.A O no hydrogen 2.883 N/A PHE 224.A N GLN 221.A O no hydrogen 3.241 N/A HIS 225.A N ARG 220.A O no hydrogen 3.072 N/A SER 228.A N THR 227.A OG1 no hydrogen 2.513 N/A HIS 231.A NE2 HIS 147.A NE2 no hydrogen 3.005 N/A GLU 235.A N HIS 231.A O no hydrogen 2.999 N/A ALA 236.A N PHE 232.A O no hydrogen 2.853 N/A ALA 237.A N GLY 233.A O no hydrogen 2.963 N/A ALA 238.A N PHE 234.A O no hydrogen 2.821 N/A TRP 239.A N GLU 235.A O no hydrogen 2.917 N/A TYR 240.A N ALA 236.A O no hydrogen 2.925 N/A TYR 240.A OH HIS 206.A O no hydrogen 2.959 N/A TRP 241.A N ALA 237.A O no hydrogen 2.874 N/A TRP 241.A NE1 SER 139.A OG no hydrogen 2.736 N/A HIS 242.A N ALA 238.A O no hydrogen 2.891 N/A PHE 243.A N TRP 239.A O no hydrogen 2.874 N/A VAL 244.A N TYR 240.A O no hydrogen 2.916 N/A ASP 245.A N TRP 241.A O no hydrogen 2.922 N/A VAL 246.A N HIS 242.A O no hydrogen 2.935 N/A VAL 247.A N PHE 243.A O no hydrogen 2.867 N/A TRP 248.A N VAL 244.A O no hydrogen 2.866 N/A LEU 249.A N ASP 245.A O no hydrogen 2.904 N/A PHE 250.A N VAL 246.A O no hydrogen 2.914 N/A LEU 251.A N VAL 247.A O no hydrogen 2.956 N/A TYR 252.A N TRP 248.A O no hydrogen 2.792 N/A VAL 253.A N LEU 249.A O no hydrogen 2.910 N/A SER 254.A N PHE 250.A O no hydrogen 2.962 N/A SER 254.A OG TYR 101.A OH no hydrogen 2.509 N/A SER 254.A OG PHE 250.A O no hydrogen 2.632 N/A ILE 255.A N LEU 251.A O no hydrogen 2.874 N/A TYR 256.A N TYR 252.A O no hydrogen 2.892 N/A TRP 258.A N SER 254.A O no hydrogen 2.977 N/A