Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rxw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASN 2.A OD1 no hydrogen 3.080 N/A GLU 6.A N LEU 3.A O no hydrogen 3.185 N/A ALA 9.A N ALA 5.A O no hydrogen 3.045 N/A LYS 10.A N GLU 6.A O no hydrogen 3.013 N/A LYS 10.A NZ ASP 14.A OD2 no hydrogen 3.098 N/A LEU 11.A N PRO 7.A O no hydrogen 2.992 N/A GLU 12.A N PHE 8.A O no hydrogen 2.935 N/A GLN 13.A N ALA 9.A O no hydrogen 3.013 N/A ASP 14.A N LYS 10.A O no hydrogen 3.004 N/A PHE 15.A N LEU 11.A O no hydrogen 2.954 N/A GLY 16.A N GLU 12.A O no hydrogen 2.878 N/A GLY 16.A N GLN 13.A O no hydrogen 3.222 N/A GLY 17.A N GLU 12.A O no hydrogen 3.142 N/A SER 18.A N ARG 239.A O no hydrogen 2.799 N/A ILE 19.A N GLU 12.A OE1 no hydrogen 2.979 N/A GLY 20.A N TYR 237.A O no hydrogen 2.799 N/A VAL 21.A N TYR 34.A O no hydrogen 2.766 N/A TYR 22.A N ALA 235.A O no hydrogen 3.052 N/A ALA 23.A N VAL 32.A O no hydrogen 2.910 N/A MET 24.A N VAL 233.A O no hydrogen 2.831 N/A ASP 25.A N ALA 30.A O no hydrogen 2.881 N/A THR 26.A N PRO 231.A O no hydrogen 3.027 N/A THR 26.A OG1 PRO 231.A O no hydrogen 2.679 N/A GLY 27.A N ASP 25.A OD1 no hydrogen 2.917 N/A SER 28.A OG GLY 264.A OXT no hydrogen 2.670 N/A GLY 29.A N ASP 25.A O no hydrogen 2.852 N/A ALA 30.A N SER 28.A OG no hydrogen 3.089 N/A VAL 32.A N ALA 23.A O no hydrogen 2.960 N/A TYR 34.A N VAL 21.A O no hydrogen 2.903 N/A TYR 34.A OH GLU 12.A OE2 no hydrogen 2.609 N/A ARG 35.A NE GLU 12.A OE1 no hydrogen 2.848 N/A ARG 35.A NE GLU 12.A OE2 no hydrogen 3.390 N/A ARG 35.A NH1 GLU 38.A OE2 no hydrogen 2.868 N/A ARG 35.A NH2 GLU 12.A OE2 no hydrogen 2.930 N/A GLU 38.A N ARG 35.A O no hydrogen 3.184 N/A ARG 39.A NH1 THR 133.A O no hydrogen 2.908 N/A ARG 39.A NH1 THR 154.A OG1 no hydrogen 2.869 N/A ARG 39.A NH2 THR 133.A O no hydrogen 3.019 N/A PHE 40.A N SER 155.A O no hydrogen 2.855 N/A LEU 42.A N ASP 153.A O no hydrogen 2.914 N/A CYS 43.A SG PRO 41.A O no hydrogen 3.801 N/A SER 44.A OG SER 104.A OG.A no hydrogen 3.297 N/A SER 45.A N LEU 42.A O no hydrogen 3.028 N/A SER 45.A OG LEU 42.A O no hydrogen 2.702 N/A SER 45.A OG TYR 237.A OH no hydrogen 2.817 N/A PHE 46.A N CYS 43.A O no hydrogen 3.419 N/A LYS 47.A N SER 44.A O no hydrogen 3.007 N/A LYS 47.A NZ SER 44.A OG no hydrogen 3.112 N/A LYS 47.A NZ SER 104.A O no hydrogen 2.826 N/A LYS 47.A NZ SER 104.A OG.A no hydrogen 3.143 N/A LYS 47.A NZ ASN 106.A OD1 no hydrogen 2.658 N/A LYS 47.A NZ GLU 140.A OE2 no hydrogen 3.154 N/A GLY 48.A N SER 45.A O no hydrogen 3.374 N/A LEU 50.A N PHE 46.A O no hydrogen 2.909 N/A ALA 51.A N LYS 47.A O no hydrogen 3.064 N/A ALA 52.A N GLY 48.A O no hydrogen 3.090 N/A ALA 53.A N PHE 49.A O no hydrogen 2.907 N/A VAL 54.A N LEU 50.A O no hydrogen 3.004 N/A LEU 55.A N ALA 51.A O no hydrogen 2.897 N/A ALA 56.A N ALA 52.A O no hydrogen 2.892 N/A ARG 57.A N ALA 53.A O no hydrogen 3.018 N/A SER 58.A N VAL 54.A O no hydrogen 2.887 N/A SER 58.A OG LEU 55.A O no hydrogen 2.686 N/A GLN 59.A N LEU 55.A O no hydrogen 3.304 N/A GLN 59.A N ALA 56.A O no hydrogen 3.205 N/A GLN 60.A N ARG 57.A O no hydrogen 3.079 N/A LEU 64.A N GLN 61.A O no hydrogen 3.042 N/A ASP 66.A N GLY 63.A O no hydrogen 3.144 N/A THR 67.A N LEU 64.A O no hydrogen 3.016 N/A THR 67.A OG1 GLY 63.A O no hydrogen 2.835 N/A THR 67.A OG1 LEU 64.A O no hydrogen 3.128 N/A ILE 69.A N MET 91.A O no hydrogen 2.719 N/A TYR 71.A OH SER 83.A O no hydrogen 2.632 N/A ALA 75.A N GLY 72.A O no hydrogen 3.044 N/A LEU 76.A N LYS 73.A O no hydrogen 2.965 N/A TRP 79.A NE1.A TYR 103.A O no hydrogen 2.821 N/A SER 80.A OG VAL 77.A O no hydrogen 2.738 N/A ILE 82.A N ASP 105.A OD1 no hydrogen 2.812 N/A SER 83.A N ASP 105.A OD1 no hydrogen 2.911 N/A SER 83.A OG.A ASP 105.A OD1 no hydrogen 3.499 N/A SER 83.A OG.A ASP 105.A OD2 no hydrogen 2.693 N/A SER 83.A OG.B SER 80.A O no hydrogen 3.376 N/A SER 83.A OG.B ASP 105.A OD1 no hydrogen 3.286 N/A SER 83.A OG.B ASP 105.A OD2 no hydrogen 2.756 N/A GLU 84.A N SER 80.A O no hydrogen 2.882 N/A LYS 85.A N PRO 81.A O no hydrogen 3.249 N/A TYR 86.A N ILE 82.A O no hydrogen 2.996 N/A LEU 87.A N GLU 84.A O no hydrogen 3.254 N/A THR 89.A N TYR 86.A O no hydrogen 2.847 N/A GLY 90.A N TYR 86.A O no hydrogen 2.702 N/A MET 91.A N ILE 69.A O no hydrogen 3.163 N/A THR 92.A N GLU 95.A OE1 no hydrogen 2.873 N/A VAL 93.A N THR 67.A O no hydrogen 3.015 N/A ALA 94.A N LEU 65.A O no hydrogen 2.921 N/A GLU 95.A N THR 92.A OG1 no hydrogen 3.046 N/A LEU 96.A N THR 92.A O no hydrogen 2.847 N/A SER 97.A N VAL 93.A O no hydrogen 2.926 N/A SER 97.A OG VAL 93.A O no hydrogen 2.939 N/A ALA 98.A N ALA 94.A O no hydrogen 2.910 N/A ALA 99.A N GLU 95.A O no hydrogen 2.899 N/A ALA 100.A N LEU 96.A O no hydrogen 2.890 N/A VAL 101.A N SER 97.A O no hydrogen 3.022 N/A GLN 102.A N ALA 98.A O no hydrogen 2.780 N/A GLN 102.A NE2 TRP 184.A O no hydrogen 2.985 N/A TYR 103.A N ALA 99.A O no hydrogen 3.019 N/A ASP 105.A N ALA 99.A O no hydrogen 3.131 N/A ASN 106.A N TRP 79.A O no hydrogen 2.998 N/A ASN 106.A ND2 PRO 78.A O no hydrogen 2.865 N/A ALA 107.A N SER 80.A OG no hydrogen 2.903 N/A ALA 108.A N ASP 105.A OD2 no hydrogen 2.914 N/A ALA 109.A N ASP 105.A O no hydrogen 3.075 N/A ASN 110.A N ASN 106.A O no hydrogen 2.939 N/A ASN 110.A ND2 GLU 140.A O no hydrogen 2.959 N/A LEU 111.A N ALA 107.A O no hydrogen 2.950 N/A LEU 112.A N ALA 108.A O no hydrogen 2.993 N/A LEU 113.A N ALA 109.A O no hydrogen 2.853 N/A LYS 114.A N ASN 110.A O no hydrogen 2.988 N/A GLU 115.A N LEU 111.A O no hydrogen 3.208 N/A LEU 116.A N LEU 112.A O no hydrogen 3.148 N/A LEU 116.A N LEU 113.A O no hydrogen 3.019 N/A GLY 117.A N LYS 114.A O no hydrogen 3.187 N/A GLY 118.A N LEU 113.A O no hydrogen 2.733 N/A GLY 121.A N GLY 117.A O no hydrogen 3.336 N/A LEU 122.A N GLY 118.A O no hydrogen 3.118 N/A THR 123.A N PRO 119.A O no hydrogen 2.962 N/A THR 123.A OG1 PRO 119.A O no hydrogen 2.969 N/A THR 123.A OG1 LEU 136.A O no hydrogen 3.117 N/A ALA 124.A N ALA 120.A O no hydrogen 2.897 N/A PHE 125.A N GLY 121.A O no hydrogen 3.045 N/A MET 126.A N LEU 122.A O no hydrogen 3.036 N/A ARG 127.A N THR 123.A O no hydrogen 2.910 N/A ARG 127.A NH1 ASP 131.A O no hydrogen 2.794 N/A ARG 127.A NH1 PHE 134.A O no hydrogen 2.801 N/A ARG 127.A NH2 PHE 134.A O no hydrogen 2.928 N/A SER 128.A N ALA 124.A O no hydrogen 2.969 N/A SER 128.A OG PHE 125.A O no hydrogen 2.652 N/A ILE 129.A N MET 126.A O no hydrogen 3.200 N/A GLY 130.A N ARG 127.A O no hydrogen 2.952 N/A ASP 131.A N MET 126.A O no hydrogen 3.020 N/A THR 133.A N ASP 131.A OD1 no hydrogen 2.891 N/A PHE 134.A N ASP 131.A OD1 no hydrogen 2.895 N/A ARG 135.A N THR 154.A O no hydrogen 3.046 N/A ARG 135.A NE ASP 137.A OD2 no hydrogen 2.907 N/A ARG 135.A NH2 ASP 137.A OD1 no hydrogen 2.921 N/A ARG 135.A NH2 ASP 137.A OD2 no hydrogen 3.505 N/A LEU 136.A N THR 123.A OG1 no hydrogen 2.980 N/A ASP 137.A N ASP 153.A OD1 no hydrogen 2.683 N/A ARG 138.A N ASP 153.A OD1 no hydrogen 3.042 N/A ARG 138.A NE ASP 153.A OD2 no hydrogen 2.730 N/A ARG 138.A NH1 SER 145.A OG no hydrogen 2.901 N/A ARG 138.A NH2 SER 145.A OG no hydrogen 3.040 N/A ARG 138.A NH2 ASP 153.A OD2 no hydrogen 2.845 N/A GLU 140.A N ASN 110.A OD1 no hydrogen 3.091 N/A LEU 143.A N TRP 139.A O no hydrogen 3.040 N/A ASN 144.A N LEU 141.A O no hydrogen 3.242 N/A ASN 144.A ND2 GLU 140.A OE2 no hydrogen 3.479 N/A ASN 144.A ND2 LEU 141.A O no hydrogen 3.385 N/A ASP 150.A N ILE 147.A O no hydrogen 3.012 N/A ARG 152.A N ASP 150.A OD1 no hydrogen 3.030 N/A ARG 152.A NE ASP 150.A OD1 no hydrogen 3.191 N/A ARG 152.A NE ASP 150.A OD2 no hydrogen 3.067 N/A ARG 152.A NH2 ASP 150.A OD2 no hydrogen 2.856 N/A ASP 153.A N ASP 137.A OD2 no hydrogen 2.922 N/A THR 154.A OG1 ALA 151.A O no hydrogen 2.672 N/A SER 155.A N PHE 40.A O no hydrogen 3.106 N/A SER 156.A N SER 155.A OG no hydrogen 2.816 N/A ARG 158.A N ALA 36.A O no hydrogen 2.904 N/A ARG 158.A NE GLU 162.A OE2 no hydrogen 2.906 N/A ALA 159.A N SER 156.A OG no hydrogen 3.020 N/A VAL 160.A N SER 156.A O no hydrogen 2.918 N/A THR 161.A N PRO 157.A O no hydrogen 2.980 N/A THR 161.A OG1 TYR 22.A O no hydrogen 3.323 N/A THR 161.A OG1 PRO 157.A O no hydrogen 3.022 N/A GLU 162.A N ARG 158.A O no hydrogen 2.900 N/A SER 163.A N ALA 159.A O no hydrogen 2.906 N/A SER 163.A OG ASP 131.A OD2 no hydrogen 2.646 N/A SER 163.A OG ALA 159.A O no hydrogen 3.301 N/A LEU 164.A N VAL 160.A O no hydrogen 2.858 N/A GLN 165.A N THR 161.A O no hydrogen 2.886 N/A LYS 166.A N GLU 162.A O no hydrogen 3.103 N/A LYS 166.A NZ ILE 129.A O no hydrogen 2.825 N/A LEU 167.A N SER 163.A O no hydrogen 3.052 N/A THR 168.A N LEU 164.A O no hydrogen 2.905 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.780 N/A LEU 169.A N GLN 165.A O no hydrogen 2.872 N/A GLY 170.A N GLN 165.A O no hydrogen 2.936 N/A ALA 172.A N LYS 166.A O no hydrogen 3.340 N/A ALA 174.A N GLN 59.A OE1 no hydrogen 2.823 N/A ARG 178.A N ALA 174.A O no hydrogen 2.850 N/A GLN 179.A N ALA 175.A O no hydrogen 2.976 N/A GLN 180.A N PRO 176.A O no hydrogen 3.083 N/A GLN 180.A NE2 PRO 176.A O no hydrogen 3.465 N/A PHE 181.A N GLN 177.A O no hydrogen 2.972 N/A VAL 182.A N ARG 178.A O no hydrogen 3.021 N/A ASP 183.A N GLN 179.A O no hydrogen 2.865 N/A TRP 184.A N GLN 180.A O no hydrogen 2.913 N/A LEU 185.A N PHE 181.A O no hydrogen 2.987 N/A LYS 186.A N VAL 182.A O no hydrogen 2.848 N/A GLY 187.A N ASP 183.A O no hydrogen 3.139 N/A GLY 187.A N TRP 184.A O no hydrogen 3.116 N/A ASN 188.A N LEU 185.A O no hydrogen 3.125 N/A ASN 188.A ND2 GLN 102.A O no hydrogen 3.147 N/A ASN 188.A ND2 THR 190.A OG1 no hydrogen 3.201 N/A THR 189.A N GLN 102.A O no hydrogen 3.068 N/A THR 189.A OG1 GLN 102.A O no hydrogen 2.740 N/A THR 190.A OG1 ASN 188.A OD1 no hydrogen 3.140 N/A THR 190.A OG1 THR 209.A OG1 no hydrogen 2.641 N/A ARG 194.A N GLY 191.A O no hydrogen 3.119 N/A ARG 194.A NE GLU 249.A OE2 no hydrogen 2.795 N/A ARG 194.A NH1 GLY 210.A O no hydrogen 2.895 N/A ARG 194.A NH1 THR 211.A OG1 no hydrogen 3.076 N/A ARG 194.A NH1 ASN 219.A O no hydrogen 2.933 N/A ARG 194.A NH2 THR 211.A OG1 no hydrogen 2.818 N/A ARG 194.A NH2 GLU 249.A OE2 no hydrogen 3.339 N/A ILE 195.A N ASP 220.A OD2 no hydrogen 2.988 N/A ARG 196.A NE ASP 207.A OD1 no hydrogen 2.914 N/A ARG 196.A NH2 LYS 186.A O no hydrogen 3.241 N/A ARG 196.A NH2 ASP 207.A OD1 no hydrogen 3.170 N/A ALA 197.A N ARG 194.A O no hydrogen 2.920 N/A ALA 198.A N ILE 195.A O no hydrogen 2.882 N/A VAL 199.A N ARG 196.A O no hydrogen 3.416 N/A TRP 203.A N PRO 200.A O no hydrogen 3.039 N/A GLY 206.A N VAL 223.A O no hydrogen 2.919 N/A ASP 207.A N LEU 185.A O no hydrogen 3.105 N/A LYS 208.A N TYR 221.A O no hydrogen 3.024 N/A LYS 208.A NZ SER 104.A OG.A no hydrogen 3.172 N/A LYS 208.A NZ SER 104.A OG.B no hydrogen 2.629 N/A LYS 208.A NZ THR 209.A O no hydrogen 2.816 N/A THR 209.A OG1 THR 190.A OG1 no hydrogen 2.641 N/A GLY 210.A N ASN 219.A O no hydrogen 3.039 N/A CYS 212.A SG ASN 144.A O no hydrogen 3.445 N/A CYS 212.A SG ASN 144.A OD1 no hydrogen 3.723 N/A GLY 213.A N THR 217.A O no hydrogen 2.903 N/A TYR 215.A N LYS 243.A O no hydrogen 2.937 N/A GLY 216.A N ASP 245.A O no hydrogen 2.914 N/A THR 217.A N VAL 214.A O no hydrogen 3.056 N/A THR 217.A OG1 VAL 214.A O no hydrogen 3.286 N/A THR 217.A OG1 TYR 215.A O no hydrogen 2.771 N/A ALA 218.A N THR 238.A OG1 no hydrogen 3.302 N/A ASN 219.A N GLY 210.A O no hydrogen 2.827 N/A ASN 219.A ND2 LEU 42.A O no hydrogen 3.160 N/A ASP 220.A N VAL 236.A O no hydrogen 2.932 N/A TYR 221.A N LYS 208.A O no hydrogen 3.115 N/A TYR 221.A OH SER 45.A O no hydrogen 2.708 N/A ALA 222.A N LEU 234.A O no hydrogen 2.866 N/A VAL 223.A N GLY 206.A O no hydrogen 2.925 N/A VAL 224.A N ILE 232.A O no hydrogen 2.799 N/A TRP 225.A N ALA 204.A O no hydrogen 2.817 N/A THR 227.A OG1 ASP 202.A O no hydrogen 3.446 N/A THR 227.A OG1 ASP 202.A OD2 no hydrogen 3.013 N/A ARG 229.A N PRO 226.A O no hydrogen 2.929 N/A ILE 232.A N VAL 224.A O no hydrogen 2.815 N/A VAL 233.A N MET 24.A O no hydrogen 2.994 N/A LEU 234.A N ALA 222.A O no hydrogen 2.960 N/A ALA 235.A N TYR 22.A O no hydrogen 2.922 N/A VAL 236.A N ASP 220.A O no hydrogen 2.909 N/A TYR 237.A N GLY 20.A O no hydrogen 2.867 N/A TYR 237.A OH SER 45.A OG no hydrogen 2.817 N/A THR 238.A N ALA 218.A O no hydrogen 2.852 N/A THR 238.A OG1 GLY 216.A O no hydrogen 2.850 N/A THR 238.A OG1 ALA 218.A O no hydrogen 3.195 N/A ARG 239.A N SER 18.A O no hydrogen 3.039 N/A ARG 239.A NE ARG 39.A O no hydrogen 2.977 N/A ARG 239.A NH2 GLU 38.A OE1 no hydrogen 2.836 N/A ARG 239.A NH2 ARG 39.A O no hydrogen 2.997 N/A ALA 240.A N TYR 215.A O no hydrogen 2.763 N/A ASN 242.A N ASP 245.A OD2 no hydrogen 2.953 N/A ASP 245.A N ASN 242.A O no hydrogen 3.017 N/A LYS 246.A NZ ASP 244.A O no hydrogen 3.111 N/A VAL 251.A N SER 248.A OG no hydrogen 2.993 N/A ILE 252.A N SER 248.A O no hydrogen 3.448 N/A ALA 253.A N GLU 249.A O no hydrogen 2.955 N/A ALA 254.A N ALA 250.A O no hydrogen 2.868 N/A ALA 255.A N VAL 251.A O no hydrogen 2.942 N/A ALA 256.A N ILE 252.A O no hydrogen 2.969 N/A ARG 257.A N ALA 253.A O no hydrogen 2.936 N/A ARG 257.A NH2 ALA 197.A O no hydrogen 3.175 N/A LEU 258.A N ALA 254.A O no hydrogen 3.112 N/A ALA 259.A N ALA 255.A O no hydrogen 2.967 N/A LEU 260.A N ALA 256.A O no hydrogen 2.996 N/A GLU 261.A N ARG 257.A O no hydrogen 2.918 N/A GLY 262.A N LEU 258.A O no hydrogen 2.853 N/A