Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ASP 121.A OD1 no hydrogen 3.293 N/A GLN 3.A NE2 ASP 121.A OD2 no hydrogen 3.400 N/A ASP 4.A N ASN 1.A OD1 no hydrogen 2.649 N/A LYS 5.A N ASN 1.A O no hydrogen 3.005 N/A ALA 6.A N PRO 2.A O no hydrogen 3.118 N/A LYS 7.A N GLN 3.A O no hydrogen 2.872 N/A LYS 7.A NZ THR 30.A OG1 no hydrogen 3.245 N/A GLN 8.A N ASP 4.A O no hydrogen 2.837 N/A ALA 9.A N LYS 5.A O no hydrogen 2.925 N/A VAL 10.A N ALA 6.A O no hydrogen 3.018 N/A GLY 11.A N LYS 7.A O no hydrogen 2.991 N/A TYR 12.A N GLN 8.A O no hydrogen 2.987 N/A TYR 12.A OH GLU 37.A OE2 no hydrogen 2.629 N/A PHE 13.A N ALA 9.A O no hydrogen 3.028 N/A ALA 14.A N VAL 10.A O no hydrogen 3.033 N/A VAL 15.A N GLY 11.A O no hydrogen 3.154 N/A ASP 16.A N TYR 12.A O no hydrogen 2.773 N/A THR 17.A N PHE 13.A O no hydrogen 2.772 N/A THR 17.A OG1 PHE 13.A O no hydrogen 2.766 N/A TYR 18.A N ALA 14.A O no hydrogen 2.997 N/A VAL 19.A N VAL 15.A O no hydrogen 3.192 N/A ARG 20.A NH1.A ASP 16.A O no hydrogen 2.708 N/A ARG 20.A NH1.A VAL 19.A O no hydrogen 2.628 N/A ARG 20.A NH2.A ASP 16.A O no hydrogen 3.167 N/A GLY 22.A N LYS 48.A O no hydrogen 3.008 N/A LYS 23.A N ASP 80.A OD2 no hydrogen 2.909 N/A VAL 24.A N LEU 51.A O no hydrogen 2.784 N/A GLY 25.A N VAL 81.A O no hydrogen 2.787 N/A LEU 26.A N VAL 53.A O no hydrogen 2.900 N/A GLY 27.A N ILE 83.A O no hydrogen 2.796 N/A THR 28.A N ASP 84.A OD1 no hydrogen 3.075 N/A THR 28.A OG1 THR 55.A OG1 no hydrogen 2.698 N/A THR 28.A OG1 SER 56.A OG no hydrogen 2.762 N/A THR 28.A OG1 THR 59.A OG1 no hydrogen 3.112 N/A LYS 33.A N GLY 29.A O no hydrogen 2.875 N/A PHE 34.A N THR 31.A O no hydrogen 2.810 N/A VAL 35.A N THR 31.A O no hydrogen 3.394 N/A VAL 36.A N ALA 32.A O no hydrogen 2.935 N/A GLU 37.A N LYS 33.A O no hydrogen 2.920 N/A ARG 38.A N PHE 34.A O no hydrogen 2.930 N/A ARG 38.A NE ASP 16.A OD1 no hydrogen 2.863 N/A ARG 38.A NH1 GLN 41.A OE1 no hydrogen 3.069 N/A ARG 38.A NH2 ASP 16.A OD1 no hydrogen 3.292 N/A ILE 39.A N VAL 35.A O no hydrogen 3.068 N/A GLY 40.A N VAL 36.A O no hydrogen 2.939 N/A GLN 41.A N GLU 37.A O no hydrogen 3.104 N/A GLN 41.A NE2 TYR 12.A OH no hydrogen 3.285 N/A ARG 42.A N ARG 38.A O no hydrogen 2.958 N/A ARG 42.A NE SER 46.A OG no hydrogen 3.229 N/A ARG 42.A NH1 VAL 19.A O no hydrogen 2.907 N/A ARG 42.A NH2 VAL 19.A O no hydrogen 3.267 N/A ARG 42.A NH2 SER 46.A O no hydrogen 3.370 N/A GLU 44.A N GLN 41.A O no hydrogen 2.913 N/A SER 46.A N ARG 42.A O no hydrogen 3.006 N/A SER 46.A OG ARG 42.A O no hydrogen 3.461 N/A LYS 48.A N SER 21.A OG no hydrogen 2.855 N/A CYS 52.A N PRO 69.A O no hydrogen 3.131 N/A VAL 53.A N VAL 24.A O no hydrogen 2.883 N/A THR 55.A N LEU 26.A O no hydrogen 3.119 N/A THR 55.A OG1 LEU 26.A O no hydrogen 2.769 N/A THR 55.A OG1 THR 28.A OG1 no hydrogen 2.698 N/A SER 56.A OG THR 28.A OG1 no hydrogen 2.762 N/A SER 56.A OG THR 59.A OG1 no hydrogen 3.025 N/A GLU 57.A N.A ASP 187.A OD2 no hydrogen 2.896 N/A GLU 57.A N.B ASP 187.A OD2 no hydrogen 2.919 N/A THR 59.A N SER 56.A OG no hydrogen 3.006 N/A THR 59.A OG1 GLY 27.A O no hydrogen 2.736 N/A THR 59.A OG1 THR 28.A OG1 no hydrogen 3.112 N/A THR 59.A OG1 SER 56.A OG no hydrogen 3.025 N/A ARG 60.A N.A SER 56.A O no hydrogen 3.067 N/A ARG 60.A N.B SER 56.A O no hydrogen 3.090 N/A ARG 60.A NE.A GLU 57.A OE1.B no hydrogen 2.187 N/A ARG 60.A NH2.A GLU 64.A OE2 no hydrogen 3.421 N/A ARG 60.A NH2.B GLU 64.A OE1 no hydrogen 3.255 N/A LYS 61.A N GLU 57.A O.A no hydrogen 3.013 N/A LYS 61.A N GLU 57.A O.B no hydrogen 2.828 N/A GLN 62.A N ALA 58.A O no hydrogen 3.038 N/A GLN 62.A NE2 LYS 33.A O no hydrogen 3.155 N/A ALA 63.A N THR 59.A O no hydrogen 2.954 N/A GLU 64.A N ARG 60.A O.A no hydrogen 2.628 N/A GLU 64.A N ARG 60.A O.B no hydrogen 2.643 N/A SER 65.A N LYS 61.A O no hydrogen 3.164 N/A SER 65.A OG GLN 62.A O no hydrogen 2.706 N/A LEU 66.A N ALA 63.A O no hydrogen 3.192 N/A GLY 67.A N GLU 64.A O no hydrogen 2.840 N/A ILE 68.A N ALA 63.A O no hydrogen 3.020 N/A THR 71.A N CYS 52.A O no hydrogen 2.999 N/A THR 71.A OG1 THR 72.A O no hydrogen 3.538 N/A THR 72.A N THR 71.A OG1 no hydrogen 2.824 N/A ASP 74.A N THR 72.A OG1 no hydrogen 3.090 N/A GLY 75.A N THR 72.A O no hydrogen 3.006 N/A ILE 76.A N LEU 73.A O no hydrogen 3.489 N/A LEU 79.A N ALA 112.A O no hydrogen 3.016 N/A ASP 80.A N LYS 23.A O no hydrogen 2.959 N/A VAL 81.A N LYS 23.A O no hydrogen 3.470 N/A ALA 82.A N THR 115.A O no hydrogen 3.078 N/A ILE 83.A N GLY 25.A O no hydrogen 2.994 N/A ASP 84.A N ILE 117.A O no hydrogen 3.026 N/A GLY 85.A N ASP 84.A OD1 no hydrogen 2.848 N/A ASP 87.A N VAL 97.A O no hydrogen 2.831 N/A GLU 88.A N VAL 97.A O no hydrogen 3.176 N/A ILE 89.A N LYS 124.A O no hydrogen 2.764 N/A LEU 90.A N GLY 95.A O no hydrogen 2.896 N/A THR 93.A OG1 LEU 90.A O no hydrogen 3.460 N/A LEU 94.A N LEU 90.A O no hydrogen 2.922 N/A GLY 95.A N THR 93.A OG1 no hydrogen 3.357 N/A LEU 96.A N PHE 222.A O no hydrogen 3.089 N/A VAL 97.A N GLU 88.A O no hydrogen 2.967 N/A LYS 98.A N GLY 220.A O no hydrogen 2.830 N/A LYS 98.A NZ ASP 84.A OD2 no hydrogen 3.031 N/A LYS 98.A NZ GLY 85.A O no hydrogen 3.180 N/A LYS 98.A NZ GLU 107.A OE2 no hydrogen 2.859 N/A ARG 100.A N ASP 87.A OD2 no hydrogen 2.835 N/A ARG 100.A NE ALA 135.A O no hydrogen 2.857 N/A ARG 100.A NH1 THR 133.A OG1 no hydrogen 2.861 N/A ARG 100.A NH2 GLU 88.A OE2 no hydrogen 3.177 N/A ARG 100.A NH2 ALA 135.A O no hydrogen 3.009 N/A GLY 102.A N GLY 99.A O no hydrogen 2.881 N/A ARG 106.A NE ASN 188.A OD1 no hydrogen 2.874 N/A ARG 106.A NH2 ASN 188.A OD1 no hydrogen 3.090 N/A GLU 107.A N ALA 103.A O no hydrogen 3.187 N/A LYS 108.A N LEU 104.A O no hydrogen 2.980 N/A LYS 108.A N LEU 105.A O no hydrogen 3.066 N/A LYS 108.A NZ GLU 218.A OE2 no hydrogen 2.639 N/A LYS 108.A NZ THR 219.A O no hydrogen 2.997 N/A LYS 108.A NZ THR 219.A OG1 no hydrogen 3.206 N/A LYS 108.A NZ PHE 221.A O no hydrogen 2.808 N/A ALA 110.A N GLU 107.A O no hydrogen 2.957 N/A ALA 111.A N LYS 108.A O no hydrogen 2.937 N/A ALA 112.A N ILE 109.A O no hydrogen 3.197 N/A ALA 113.A N ALA 110.A O no hydrogen 3.248 N/A LYS 114.A N LEU 79.A O no hydrogen 2.927 N/A THR 115.A N ASP 80.A O no hydrogen 3.332 N/A PHE 116.A N SER 227.A OG no hydrogen 3.194 N/A ILE 117.A N ALA 82.A O no hydrogen 2.778 N/A VAL 118.A N VAL 228.A O no hydrogen 2.922 N/A ALA 119.A N ASP 84.A O no hydrogen 2.890 N/A ALA 120.A N LEU 230.A O no hydrogen 3.005 N/A THR 123.A N ASP 121.A OD2 no hydrogen 2.966 N/A THR 123.A OG1 ASP 121.A OD2 no hydrogen 2.632 N/A LYS 124.A N ASP 121.A O no hydrogen 3.158 N/A LYS 124.A NZ ALA 86.A O no hydrogen 3.541 N/A LYS 124.A NZ ASP 121.A OD1 no hydrogen 3.274 N/A LEU 125.A N GLU 122.A O no hydrogen 3.288 N/A VAL 126.A N ILE 89.A O no hydrogen 3.002 N/A ILE 130.A N VAL 201.A O no hydrogen 2.972 N/A GLY 131.A N GLU 88.A OE1 no hydrogen 2.826 N/A THR 133.A N GLU 88.A OE2 no hydrogen 2.920 N/A THR 133.A OG1 GLU 88.A OE2 no hydrogen 2.512 N/A LEU 136.A N LEU 195.A O no hydrogen 2.883 N/A VAL 138.A N VAL 193.A O no hydrogen 2.793 N/A GLU 139.A N GLU 218.A O no hydrogen 2.746 N/A VAL 140.A N TYR 191.A O no hydrogen 2.911 N/A VAL 141.A N GLY 215.A O no hydrogen 2.944 N/A GLY 145.A N VAL 142.A O no hydrogen 2.911 N/A SER 146.A OG ASP 177.A OD2 no hydrogen 3.180 N/A THR 148.A N SER 144.A O no hydrogen 3.029 N/A THR 148.A OG1 SER 144.A O no hydrogen 3.127 N/A LYS 149.A N GLY 145.A O no hydrogen 2.919 N/A LYS 149.A NZ GLU 176.A O no hydrogen 3.163 N/A LYS 149.A NZ ASP 177.A OD1 no hydrogen 2.430 N/A ARG 150.A N SER 146.A O no hydrogen 2.981 N/A LEU 151.A N HIS 147.A O no hydrogen 3.001 N/A LEU 152.A N THR 148.A O no hydrogen 3.003 N/A SER 153.A N LYS 149.A O no hydrogen 3.076 N/A SER 153.A OG LYS 149.A O no hydrogen 3.222 N/A ALA 154.A N ARG 150.A O no hydrogen 3.204 N/A ALA 154.A N LEU 151.A O no hydrogen 3.137 N/A LEU 155.A N LEU 152.A O no hydrogen 3.251 N/A SER 157.A N GLU 209.A OE1 no hydrogen 2.921 N/A SER 157.A OG GLU 209.A OE1 no hydrogen 2.779 N/A LYS 159.A N LEU 155.A O no hydrogen 2.960 N/A ARG 160.A N PRO 156.A O no hydrogen 2.829 N/A ARG 160.A NH1 GLU 206.A OE1 no hydrogen 3.413 N/A HIS 161.A N SER 157.A O no hydrogen 3.261 N/A GLY 162.A N LYS 159.A O no hydrogen 2.903 N/A GLY 163.A N VAL 158.A O no hydrogen 2.805 N/A ARG 164.A N TYR 196.A O no hydrogen 2.821 N/A GLU 166.A N ASP 194.A O no hydrogen 3.104 N/A ARG 168.A N ILE 192.A O no hydrogen 2.826 N/A ARG 168.A NE ASP 194.A OD2 no hydrogen 2.999 N/A ARG 168.A NH1 GLY 99.A O no hydrogen 3.053 N/A ARG 168.A NH2 GLY 99.A O no hydrogen 3.046 N/A ARG 168.A NH2 ASP 194.A OD1 no hydrogen 2.803 N/A ARG 168.A NH2 ASP 194.A OD2 no hydrogen 3.556 N/A ARG 170.A N ASP 182.A O no hydrogen 2.962 N/A ARG 170.A NE GLU 181.A O no hydrogen 3.010 N/A ARG 170.A NH2 ALA 171.A O no hydrogen 2.975 N/A GLN 175.A NE2 ASP 177.A O no hydrogen 2.990 N/A ASP 182.A N ARG 179.A O no hydrogen 3.042 N/A ARG 183.A N GLU 180.A O no hydrogen 3.132 N/A ARG 183.A NE ILE 178.A O no hydrogen 2.859 N/A ARG 183.A NH2 ILE 178.A O no hydrogen 2.767 N/A PHE 184.A N ARG 168.A O no hydrogen 2.824 N/A THR 186.A N ASN 190.A O no hydrogen 2.740 N/A THR 186.A OG1 GLU 139.A OE2 no hydrogen 2.818 N/A THR 186.A OG1 ASN 190.A O no hydrogen 3.429 N/A ASN 188.A N THR 186.A OG1 no hydrogen 3.128 N/A ASN 188.A ND2 GLU 139.A OE2 no hydrogen 3.132 N/A GLY 189.A N THR 186.A O no hydrogen 2.815 N/A ASN 190.A N THR 186.A OG1 no hydrogen 3.054 N/A ASN 190.A ND2 GLU 139.A OE2 no hydrogen 2.828 N/A TYR 191.A N VAL 140.A O no hydrogen 2.915 N/A VAL 193.A N VAL 138.A O no hydrogen 2.758 N/A ASP 194.A N GLU 166.A O no hydrogen 2.726 N/A LEU 195.A N LEU 136.A O no hydrogen 2.911 N/A TYR 196.A N ARG 164.A O no hydrogen 2.906 N/A THR 198.A OG1 HIS 161.A O no hydrogen 3.549 N/A VAL 201.A N ILE 130.A O no hydrogen 3.057 N/A HIS 205.A NE2 ASP 224.A OD2 no hydrogen 3.090 N/A GLU 206.A N ASP 203.A OD1 no hydrogen 3.332 N/A LYS 208.A N HIS 205.A O no hydrogen 3.229 N/A GLU 209.A N GLU 206.A O no hydrogen 3.268 N/A LYS 211.A N ASP 207.A O no hydrogen 3.038 N/A LYS 211.A NZ GLU 218.A OE2 no hydrogen 2.775 N/A SER 212.A N GLU 209.A O no hydrogen 2.972 N/A SER 212.A OG GLU 209.A O no hydrogen 2.681 N/A VAL 216.A N ILE 213.A O no hydrogen 3.141 N/A VAL 217.A N GLU 139.A O no hydrogen 2.798 N/A GLU 218.A N GLU 139.A O no hydrogen 3.361 N/A THR 219.A N GLU 218.A OE2 no hydrogen 3.090 N/A THR 219.A OG1 ASP 207.A OD1 no hydrogen 2.600 N/A GLY 220.A N PRO 137.A O no hydrogen 2.827 N/A PHE 222.A N LEU 96.A O no hydrogen 3.099 N/A SER 227.A N PHE 116.A O no hydrogen 2.850 N/A VAL 228.A N PHE 116.A O no hydrogen 3.303 N/A CYS 229.A N.A LEU 241.A O no hydrogen 2.816 N/A CYS 229.A N.B LEU 241.A O no hydrogen 2.805 N/A CYS 229.A SG.B LEU 230.A O no hydrogen 3.963 N/A LEU 230.A N VAL 118.A O no hydrogen 2.675 N/A ILE 231.A N ALA 239.A O no hydrogen 2.886 N/A GLY 232.A N ALA 120.A O no hydrogen 2.910 N/A LYS 233.A N SER 237.A O no hydrogen 3.127 N/A GLY 236.A N LYS 233.A O no hydrogen 2.918 N/A SER 237.A N ASP 235.A OD1 no hydrogen 2.929 N/A SER 237.A OG ASP 235.A OD1 no hydrogen 2.752 N/A ALA 239.A N ILE 231.A O no hydrogen 2.933 N/A LEU 241.A N CYS 229.A O.A no hydrogen 2.907 N/A LEU 241.A N CYS 229.A O.B no hydrogen 2.822 N/A ALA 243.A N SER 227.A O no hydrogen 3.329 N/A