Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5itw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 ASP 236.A OD2 no hydrogen 2.885 N/A THR 6.A OG1 GLN 30.A O no hydrogen 3.198 N/A ASP 7.A N GLN 31.A O no hydrogen 2.850 N/A LYS 8.A N LEU 5.A O no hydrogen 3.023 N/A THR 9.A N ASP 84.A OD2 no hydrogen 2.834 N/A VAL 10.A N ASN 33.A O no hydrogen 2.809 N/A LEU 11.A N.A VAL 85.A O no hydrogen 2.867 N/A LEU 11.A N.B VAL 85.A O no hydrogen 2.866 N/A ILE 12.A N VAL 35.A O no hydrogen 2.794 N/A THR 13.A N ILE 87.A O no hydrogen 2.915 N/A THR 13.A OG1 ILE 87.A O no hydrogen 3.471 N/A GLY 14.A N ALA 37.A O no hydrogen 2.944 N/A ALA 16.A N ASP 38.A OD2 no hydrogen 2.942 N/A TYR 21.A N SER 17.A O no hydrogen 3.043 N/A TYR 21.A OH GLU 51.A OE2 no hydrogen 2.492 N/A ALA 22.A N GLY 18.A O no hydrogen 2.989 N/A ALA 23.A N ILE 19.A O no hydrogen 2.865 N/A VAL 24.A N GLY 20.A O no hydrogen 2.947 N/A GLN 25.A N TYR 21.A O no hydrogen 2.934 N/A ALA 26.A N ALA 22.A O no hydrogen 2.941 N/A PHE 27.A N ALA 23.A O no hydrogen 2.875 N/A LEU 28.A N VAL 24.A O no hydrogen 2.864 N/A GLY 29.A N GLN 25.A O no hydrogen 2.946 N/A GLN 30.A N ALA 26.A O no hydrogen 3.248 N/A GLN 30.A N PHE 27.A O no hydrogen 3.025 N/A GLN 31.A N LEU 28.A O no hydrogen 2.912 N/A ALA 32.A N PHE 27.A O no hydrogen 3.072 N/A ASN 33.A N LYS 8.A O no hydrogen 2.834 N/A VAL 34.A N ARG 55.A O no hydrogen 2.762 N/A VAL 35.A N VAL 10.A O no hydrogen 2.825 N/A VAL 36.A N HIS 57.A O no hydrogen 2.810 N/A ALA 37.A N ILE 12.A O no hydrogen 2.963 N/A ILE 39.A N ASP 38.A OD1 no hydrogen 2.828 N/A GLN 43.A N ASP 40.A OD1 no hydrogen 2.934 N/A GLY 44.A N ASP 40.A O no hydrogen 2.983 N/A GLU 45.A N GLU 41.A O no hydrogen 2.901 N/A ALA 46.A N ALA 42.A O no hydrogen 2.899 N/A MET 47.A N GLN 43.A O no hydrogen 3.016 N/A VAL 48.A N GLY 44.A O no hydrogen 3.009 N/A ARG 49.A N GLU 45.A O no hydrogen 2.952 N/A LYS 50.A N ALA 46.A O no hydrogen 2.980 N/A GLU 51.A N MET 47.A O no hydrogen 2.942 N/A ASN 52.A N VAL 48.A O no hydrogen 3.045 N/A ARG 55.A N ASN 53.A OD1 no hydrogen 2.875 N/A ARG 55.A NH1 ASP 7.A OD1 no hydrogen 3.095 N/A ARG 55.A NH2 ASP 7.A OD1 no hydrogen 2.799 N/A ARG 55.A NH2 ASN 33.A OD1 no hydrogen 2.867 N/A LEU 56.A N ASN 53.A O no hydrogen 2.976 N/A HIS 57.A N VAL 34.A O no hydrogen 2.884 N/A VAL 59.A N VAL 36.A O no hydrogen 2.853 N/A GLN 60.A NE2 ILE 39.A O no hydrogen 2.972 N/A THR 61.A N ASP 38.A O no hydrogen 2.896 N/A THR 61.A OG1 VAL 59.A O no hydrogen 2.876 N/A THR 64.A N ASP 62.A OD1 no hydrogen 3.000 N/A THR 64.A OG1 ASP 62.A OD1 no hydrogen 2.716 N/A THR 64.A OG1 ASP 62.A OD2 no hydrogen 3.481 N/A ASP 65.A N ASP 62.A O no hydrogen 2.999 N/A ALA 68.A N ASP 65.A OD1 no hydrogen 2.897 N/A CYS 69.A N ASP 65.A O no hydrogen 3.069 N/A CYS 69.A SG ILE 63.A O no hydrogen 3.155 N/A CYS 69.A SG ASP 65.A O no hydrogen 3.529 N/A GLN 70.A N GLU 66.A O no hydrogen 2.923 N/A GLN 70.A NE2 GLU 74.A OE2 no hydrogen 2.967 N/A HIS 71.A N ALA 67.A O no hydrogen 2.907 N/A ALA 72.A N ALA 68.A O no hydrogen 2.960 N/A VAL 73.A N CYS 69.A O no hydrogen 3.135 N/A GLU 74.A N GLN 70.A O no hydrogen 2.919 N/A SER 75.A N.A HIS 71.A O no hydrogen 2.840 N/A SER 75.A N.B HIS 71.A O no hydrogen 2.835 N/A SER 75.A OG.B HIS 71.A O no hydrogen 2.838 N/A ALA 76.A N ALA 72.A O no hydrogen 3.188 N/A VAL 77.A N VAL 73.A O no hydrogen 3.147 N/A HIS 78.A N GLU 74.A O no hydrogen 2.776 N/A THR 79.A N SER 75.A O.A no hydrogen 2.857 N/A THR 79.A N SER 75.A O.B no hydrogen 2.866 N/A THR 79.A OG1 SER 75.A O.A no hydrogen 2.745 N/A THR 79.A OG1 SER 75.A O.B no hydrogen 2.742 N/A PHE 80.A N ALA 76.A O no hydrogen 2.992 N/A GLY 81.A N VAL 77.A O no hydrogen 2.877 N/A ASP 84.A N THR 9.A O no hydrogen 2.881 N/A VAL 85.A N THR 9.A O no hydrogen 3.036 N/A LEU 86.A N ASN 135.A O no hydrogen 2.895 N/A ILE 87.A N LEU 11.A O.A no hydrogen 2.756 N/A ILE 87.A N LEU 11.A O.B no hydrogen 2.752 N/A ASN 88.A N ILE 137.A O no hydrogen 2.825 N/A ASN 88.A ND2 SER 121.A OG no hydrogen 3.072 N/A ASN 88.A ND2 ASN 138.A OD1 no hydrogen 2.856 N/A ASN 89.A N THR 13.A OG1 no hydrogen 2.958 N/A ASN 89.A ND2 THR 13.A O no hydrogen 3.542 N/A ASN 89.A ND2 GLY 14.A O no hydrogen 3.344 N/A ALA 90.A N THR 13.A OG1 no hydrogen 3.043 N/A ILE 92.A N ASN 113.A OD1 no hydrogen 2.748 N/A GLU 100.A N PRO 97.A O no hydrogen 3.059 N/A MET 101.A N ILE 98.A O no hydrogen 3.338 N/A ASP 105.A N GLU 102.A O no hydrogen 2.970 N/A TRP 106.A N GLU 102.A O no hydrogen 2.984 N/A ASN 107.A N LEU 103.A O no hydrogen 2.857 N/A LYS 108.A N SER 104.A O no hydrogen 3.042 N/A VAL 109.A N ASP 105.A O no hydrogen 3.099 N/A LEU 110.A N TRP 106.A O no hydrogen 3.063 N/A GLN 111.A N.A ASN 107.A O no hydrogen 2.765 N/A GLN 111.A N.B ASN 107.A O no hydrogen 2.767 N/A VAL 112.A N LYS 108.A O no hydrogen 3.082 N/A ASN 113.A N VAL 109.A O no hydrogen 2.977 N/A ASN 113.A ND2 ILE 92.A O no hydrogen 3.013 N/A ASN 113.A ND2 SER 157.A OG no hydrogen 3.001 N/A LEU 114.A N LEU 110.A O no hydrogen 2.922 N/A THR 115.A N LEU 110.A O no hydrogen 2.911 N/A GLY 116.A N GLN 111.A O.A no hydrogen 2.810 N/A GLY 116.A N GLN 111.A O.B no hydrogen 2.807 N/A PHE 118.A N LEU 114.A O no hydrogen 2.952 N/A LEU 119.A N THR 115.A O no hydrogen 2.884 N/A MET 120.A N GLY 116.A O no hydrogen 2.960 N/A SER 121.A N MET 117.A O no hydrogen 2.939 N/A SER 121.A OG MET 117.A O no hydrogen 2.737 N/A LYS 122.A N PHE 118.A O no hydrogen 2.778 N/A LYS 122.A NZ GLU 66.A OE2 no hydrogen 2.807 N/A HIS 123.A N LEU 119.A O no hydrogen 3.314 N/A HIS 123.A NE2 GLU 66.A OE2 no hydrogen 2.847 N/A ALA 124.A N MET 120.A O no hydrogen 2.924 N/A LEU 125.A N SER 121.A O no hydrogen 2.751 N/A LYS 126.A N LYS 122.A O no hydrogen 3.152 N/A HIS 127.A N HIS 123.A O no hydrogen 3.482 N/A MET 128.A N ALA 124.A O no hydrogen 2.817 N/A LEU 129.A N LEU 125.A O no hydrogen 2.795 N/A ALA 130.A N LYS 126.A O no hydrogen 3.506 N/A ALA 131.A N HIS 127.A O no hydrogen 2.816 N/A GLY 132.A N MET 128.A O no hydrogen 2.996 N/A GLY 132.A N LEU 129.A O no hydrogen 3.279 N/A GLY 134.A N GLN 176.A O no hydrogen 3.144 N/A ASN 135.A ND2 LEU 233.A O no hydrogen 3.055 N/A ILE 136.A N ARG 178.A O no hydrogen 2.829 N/A ILE 137.A N LEU 86.A O no hydrogen 2.803 N/A ASN 138.A N ASN 180.A O no hydrogen 2.943 N/A ASN 138.A ND2 THR 165.A OG1 no hydrogen 2.900 N/A THR 139.A N ASN 88.A O no hydrogen 2.932 N/A THR 139.A OG1 ASN 89.A OD1 no hydrogen 2.891 N/A CYS 140.A N VAL 182.A O no hydrogen 2.752 N/A CYS 140.A SG SER 141.A O.A no hydrogen 3.827 N/A CYS 140.A SG SER 141.A O.B no hydrogen 3.831 N/A CYS 140.A SG LYS 158.A O no hydrogen 3.310 N/A VAL 142.A N PRO 184.A O no hydrogen 2.947 N/A GLY 143.A N SER 141.A OG.A no hydrogen 2.894 N/A GLY 144.A N SER 141.A O.A no hydrogen 2.891 N/A GLY 144.A N SER 141.A O.B no hydrogen 2.891 N/A LEU 145.A N VAL 142.A O no hydrogen 2.879 N/A VAL 146.A N VAL 142.A O no hydrogen 2.961 N/A TRP 148.A NE1 SER 141.A OG.A no hydrogen 3.165 N/A ASN 155.A N ILE 151.A O no hydrogen 2.946 N/A ASN 155.A ND2 TRP 148.A O no hydrogen 2.892 N/A ALA 156.A N PRO 152.A O no hydrogen 2.872 N/A SER 157.A N ALA 153.A O no hydrogen 2.869 N/A SER 157.A OG TYR 154.A O no hydrogen 2.714 N/A LYS 158.A N TYR 154.A O no hydrogen 2.984 N/A LYS 158.A NZ THR 139.A O no hydrogen 2.819 N/A LYS 158.A NZ CYS 140.A O no hydrogen 3.534 N/A GLY 159.A N ASN 155.A O no hydrogen 2.866 N/A GLY 160.A N ALA 156.A O no hydrogen 3.018 N/A VAL 161.A N SER 157.A O no hydrogen 2.916 N/A LEU 162.A N LYS 158.A O no hydrogen 2.915 N/A GLN 163.A N GLY 159.A O no hydrogen 3.059 N/A LEU 164.A N GLY 160.A O no hydrogen 2.778 N/A THR 165.A N VAL 161.A O no hydrogen 2.906 N/A THR 165.A OG1 VAL 161.A O no hydrogen 2.749 N/A LYS 166.A N LEU 162.A O no hydrogen 3.065 N/A LYS 166.A NZ.A GLY 243.A O no hydrogen 3.308 N/A LYS 166.A NZ.B GLN 163.A OE1 no hydrogen 2.938 N/A SER 167.A N GLN 163.A O no hydrogen 2.889 N/A SER 167.A OG GLN 163.A O no hydrogen 2.769 N/A MET 168.A N LEU 164.A O no hydrogen 2.905 N/A ALA 169.A N THR 165.A O no hydrogen 2.935 N/A VAL 170.A N LYS 166.A O no hydrogen 2.939 N/A ASP 171.A N SER 167.A O no hydrogen 2.896 N/A TYR 172.A N MET 168.A O no hydrogen 2.925 N/A LYS 174.A NZ ASP 171.A O no hydrogen 3.195 N/A HIS 175.A N TYR 172.A O no hydrogen 2.917 N/A GLN 176.A N ALA 173.A O no hydrogen 2.951 N/A ILE 177.A N TYR 172.A O no hydrogen 3.340 N/A ARG 178.A N GLY 134.A O no hydrogen 3.071 N/A ARG 178.A NH1 LEU 233.A O no hydrogen 3.418 N/A ARG 178.A NH1 SER 235.A O no hydrogen 3.066 N/A ARG 178.A NH1 SER 238.A OG no hydrogen 3.073 N/A ARG 178.A NH2 LEU 233.A O no hydrogen 3.493 N/A ARG 178.A NH2 SER 238.A OG no hydrogen 3.018 N/A ARG 178.A NH2 MET 241.A O no hydrogen 3.087 N/A VAL 179.A N THR 242.A OG1 no hydrogen 2.939 N/A ASN 180.A N ILE 136.A O no hydrogen 2.960 N/A ASN 180.A ND2 MET 241.A O no hydrogen 3.043 N/A CYS 181.A N SER 244.A O no hydrogen 2.913 N/A CYS 181.A SG SER 244.A O no hydrogen 4.021 N/A VAL 182.A N ASN 138.A O no hydrogen 3.036 N/A CYS 183.A N ILE 246.A O.A no hydrogen 2.739 N/A CYS 183.A N ILE 246.A O.B no hydrogen 2.743 N/A CYS 183.A SG SER 141.A O.A no hydrogen 3.704 N/A CYS 183.A SG SER 141.A O.B no hydrogen 3.703 N/A GLY 185.A N ALA 248.A O no hydrogen 2.904 N/A ASP 188.A N GLY 221.A O no hydrogen 2.764 N/A ASN 192.A N THR 189.A OG1 no hydrogen 3.056 N/A ASN 192.A ND2 ILE 187.A O no hydrogen 2.871 N/A GLU 193.A N THR 189.A O no hydrogen 2.892 N/A LYS 194.A N PRO 190.A O no hydrogen 3.170 N/A SER 195.A N LEU 191.A O no hydrogen 3.240 N/A SER 195.A OG GLU 93.A OE2 no hydrogen 2.600 N/A PHE 196.A N ASN 192.A O no hydrogen 2.775 N/A LEU 197.A N.A GLU 193.A O no hydrogen 3.050 N/A LEU 197.A N.B GLU 193.A O no hydrogen 3.055 N/A GLU 198.A N LYS 194.A O no hydrogen 2.984 N/A ASN 199.A N SER 195.A O no hydrogen 3.073 N/A ASN 199.A ND2 SER 195.A O no hydrogen 2.927 N/A ASN 199.A ND2 SER 195.A OG no hydrogen 3.311 N/A ASN 200.A ND2 PHE 196.A O no hydrogen 2.868 N/A THR 203.A N GLU 206.A OE1 no hydrogen 2.950 N/A GLU 206.A N THR 203.A OG1 no hydrogen 3.181 N/A ILE 207.A N THR 203.A O no hydrogen 2.950 N/A LYS 208.A N LEU 204.A O no hydrogen 2.879 N/A LYS 208.A NZ ASP 188.A OD1 no hydrogen 3.092 N/A LYS 208.A NZ ASP 188.A OD2 no hydrogen 2.881 N/A LYS 208.A NZ GLU 193.A OE2 no hydrogen 2.599 N/A LYS 209.A N GLU 205.A O no hydrogen 3.112 N/A GLU 210.A N GLU 206.A O no hydrogen 3.163 N/A LYS 211.A N ILE 207.A O no hydrogen 2.925 N/A ALA 212.A N LYS 208.A O no hydrogen 2.936 N/A LYS 213.A N GLU 210.A O no hydrogen 3.380 N/A LYS 213.A NZ GLU 210.A OE1 no hydrogen 2.998 N/A LYS 213.A NZ GLU 210.A OE2 no hydrogen 3.404 N/A VAL 214.A N LYS 211.A O no hydrogen 3.485 N/A ASN 215.A N ALA 212.A O no hydrogen 3.520 N/A ASN 215.A ND2.A ARG 219.A O no hydrogen 2.781 N/A ASN 215.A ND2.B ALA 212.A O no hydrogen 3.363 N/A ASN 215.A ND2.B ARG 219.A O no hydrogen 3.592 N/A LEU 217.A N.A ASN 215.A OD1.A no hydrogen 3.099 N/A LEU 217.A N.A GLY 250.A O no hydrogen 2.977 N/A LEU 217.A N.B GLY 250.A O no hydrogen 2.978 N/A LEU 218.A N ASN 215.A O no hydrogen 2.831 N/A ARG 219.A NH1 LEU 220.A O no hydrogen 3.147 N/A ARG 219.A NH1 GLU 225.A OE1 no hydrogen 2.852 N/A ARG 219.A NH1 GLU 225.A OE2 no hydrogen 3.534 N/A ARG 219.A NH2 GLU 225.A OE2 no hydrogen 2.807 N/A GLY 221.A N ILE 186.A O no hydrogen 2.959 N/A LYS 222.A N GLU 225.A OE1 no hydrogen 2.854 N/A GLU 225.A N LYS 222.A O no hydrogen 2.851 N/A ILE 226.A N PRO 223.A O no hydrogen 3.061 N/A ALA 227.A N PRO 223.A O no hydrogen 3.002 N/A ASN 228.A N GLU 224.A O no hydrogen 2.883 N/A MET 230.A N ILE 226.A O no hydrogen 3.046 N/A LEU 231.A N ALA 227.A O no hydrogen 2.878 N/A PHE 232.A N ASN 228.A O no hydrogen 3.155 N/A LEU 233.A N VAL 229.A O no hydrogen 2.952 N/A ALA 234.A N MET 230.A O no hydrogen 2.934 N/A SER 235.A N LEU 231.A O no hydrogen 2.933 N/A SER 235.A N PHE 232.A O no hydrogen 3.194 N/A SER 235.A OG PHE 232.A O no hydrogen 2.816 N/A ASP 236.A N MET 3.A O.A no hydrogen 3.066 N/A ASP 236.A N MET 3.A O.B no hydrogen 3.065 N/A LEU 237.A N SER 235.A OG no hydrogen 3.092 N/A SER 238.A N SER 235.A O no hydrogen 3.285 N/A SER 238.A OG PHE 232.A O no hydrogen 2.902 N/A SER 238.A OG LEU 233.A O no hydrogen 2.972 N/A SER 238.A OG SER 235.A O no hydrogen 3.027 N/A SER 239.A N ASP 236.A O no hydrogen 3.123 N/A SER 239.A OG ASP 236.A O no hydrogen 3.289 N/A MET 241.A N SER 238.A O no hydrogen 2.833 N/A THR 242.A OG1 VAL 179.A O no hydrogen 3.448 N/A GLY 243.A N VAL 179.A O no hydrogen 2.722 N/A SER 244.A N ASN 180.A OD1 no hydrogen 2.941 N/A ILE 246.A N.A CYS 181.A O no hydrogen 2.865 N/A ILE 246.A N.B CYS 181.A O no hydrogen 2.871 N/A ALA 248.A N CYS 183.A O no hydrogen 3.031 N/A GLY 251.A N ASP 249.A OD1 no hydrogen 2.958 N/A TYR 252.A N ASP 249.A O no hydrogen 3.058 N/A THR 253.A N ASP 249.A OD2 no hydrogen 2.890 N/A THR 253.A OG1 ASP 249.A OD2 no hydrogen 2.743 N/A ALA 254.A N GLY 251.A O no hydrogen 3.015 N/A