Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.358 N/A ARG 4.A NE ARG 199.A O no hydrogen 2.632 N/A SER 8.A N GLN 11.A OE1 no hydrogen 3.110 N/A GLN 11.A N SER 8.A OG no hydrogen 3.012 N/A GLN 12.A N SER 8.A O no hydrogen 2.865 N/A ARG 13.A N GLU 9.A O no hydrogen 3.096 N/A ILE 14.A N GLU 10.A O no hydrogen 2.867 N/A ILE 15.A N GLN 11.A O no hydrogen 2.981 N/A ALA 16.A N GLN 12.A O no hydrogen 2.889 N/A ILE 17.A N ARG 13.A O no hydrogen 2.798 N/A LEU 18.A N ILE 14.A O no hydrogen 2.874 N/A LEU 19.A N ILE 15.A O no hydrogen 2.736 N/A ASP 20.A N ALA 16.A O no hydrogen 2.963 N/A ALA 21.A N ILE 17.A O no hydrogen 2.822 N/A HIS 22.A N LEU 18.A O no hydrogen 2.990 N/A HIS 22.A NE2 GLU 108.A OE2 no hydrogen 2.850 N/A HIS 23.A N LEU 19.A O no hydrogen 3.074 N/A HIS 23.A NE2 GLU 158.A OE1 no hydrogen 2.828 N/A LYS 24.A N ASP 20.A O no hydrogen 2.965 N/A THR 25.A N HIS 22.A O no hydrogen 3.095 N/A THR 25.A OG1 ALA 21.A O no hydrogen 2.892 N/A THR 25.A OG1 HIS 22.A O no hydrogen 3.464 N/A TYR 26.A OH TYR 30.A OH no hydrogen 2.599 N/A THR 29.A N ASP 27.A OD1 no hydrogen 3.047 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 2.545 N/A THR 29.A OG1 ASP 27.A OD2 no hydrogen 3.168 N/A THR 29.A OG1 SER 31.A OG no hydrogen 2.929 N/A TYR 30.A N ASP 27.A O no hydrogen 3.097 N/A TYR 30.A OH TYR 26.A OH no hydrogen 2.599 N/A SER 31.A N ASP 27.A OD2 no hydrogen 2.821 N/A SER 31.A OG THR 29.A OG1 no hydrogen 2.929 N/A PHE 33.A N TYR 30.A O no hydrogen 3.403 N/A CYS 34.A SG SER 31.A O no hydrogen 3.644 N/A GLN 35.A N ASP 32.A O no hydrogen 2.807 N/A PHE 36.A N PHE 33.A O no hydrogen 3.007 N/A ARG 37.A N ASP 63.A OD1 no hydrogen 2.899 N/A ARG 37.A NE ASP 63.A OD1 no hydrogen 2.864 N/A ARG 37.A NE ASP 63.A OD2 no hydrogen 3.284 N/A ARG 37.A NH1 MET 243.A O no hydrogen 3.044 N/A ARG 37.A NH2 ASP 63.A OD2 no hydrogen 2.699 N/A ARG 37.A NH2 LYS 244.A O no hydrogen 3.271 N/A ARG 37.A NH2 LEU 245.A O no hydrogen 2.949 N/A ARG 41.A NE ASP 130.A OD1 no hydrogen 2.959 N/A ARG 41.A NE ASP 130.A OD2 no hydrogen 3.416 N/A ARG 41.A NH1 ASP 123.A O no hydrogen 2.904 N/A ARG 41.A NH2 ASP 123.A O no hydrogen 2.646 N/A ASN 43.A ND2 ASN 43.A O no hydrogen 2.686 N/A SER 47.A N ASP 44.A OD2 no hydrogen 3.191 N/A GLU 51.A N SER 47.A O no hydrogen 2.845 N/A LEU 52.A N VAL 48.A O no hydrogen 2.751 N/A SER 53.A N THR 49.A O no hydrogen 2.712 N/A GLN 54.A N LEU 50.A O no hydrogen 2.823 N/A LEU 55.A N GLU 51.A O no hydrogen 2.678 N/A SER 56.A OG VAL 40.A O no hydrogen 2.808 N/A MET 57.A N LYS 133.A O no hydrogen 3.150 N/A LEU 58.A N LEU 55.A O no hydrogen 3.083 N/A HIS 60.A ND1 ARG 37.A O no hydrogen 3.104 N/A HIS 60.A NE2 TYR 126.A OH no hydrogen 2.624 N/A LEU 61.A N MET 57.A O no hydrogen 2.918 N/A ALA 62.A N LEU 58.A O no hydrogen 2.764 N/A ASP 63.A N PRO 59.A O no hydrogen 2.939 N/A LEU 64.A N HIS 60.A O no hydrogen 2.926 N/A VAL 65.A N LEU 61.A O no hydrogen 2.863 N/A SER 66.A N ALA 62.A O no hydrogen 2.732 N/A SER 66.A OG THR 246.A OG1 no hydrogen 2.718 N/A TYR 67.A N ASP 63.A O no hydrogen 2.995 N/A TYR 67.A OH ASP 32.A OD2 no hydrogen 2.741 N/A SER 68.A N LEU 64.A O no hydrogen 3.143 N/A SER 68.A OG LEU 64.A O no hydrogen 2.595 N/A ILE 69.A N VAL 65.A O no hydrogen 2.799 N/A GLN 70.A N SER 66.A O no hydrogen 3.286 N/A LYS 71.A N TYR 67.A O no hydrogen 3.184 N/A LYS 71.A N SER 68.A O no hydrogen 3.115 N/A VAL 72.A N SER 68.A O no hydrogen 2.933 N/A ILE 73.A N ILE 69.A O no hydrogen 2.988 N/A GLY 74.A N GLN 70.A O no hydrogen 3.122 N/A PHE 75.A N LYS 71.A O no hydrogen 2.670 N/A ALA 76.A N VAL 72.A O no hydrogen 2.729 N/A LYS 77.A N ILE 73.A O no hydrogen 2.942 N/A MET 78.A N PHE 75.A O no hydrogen 2.954 N/A ILE 79.A N ALA 76.A O no hydrogen 3.126 N/A PHE 82.A N ILE 79.A O no hydrogen 2.994 N/A ASP 84.A N GLY 81.A O no hydrogen 2.980 N/A LEU 85.A N PHE 82.A O no hydrogen 3.116 N/A ASP 89.A N THR 86.A O no hydrogen 3.196 N/A ASP 89.A N THR 86.A OG1 no hydrogen 3.287 N/A GLN 90.A N THR 86.A O no hydrogen 2.949 N/A GLN 90.A NE2 LEU 85.A O no hydrogen 2.853 N/A ILE 91.A N SER 87.A O no hydrogen 2.825 N/A VAL 92.A N GLU 88.A O no hydrogen 3.177 N/A LEU 93.A N ASP 89.A O no hydrogen 2.894 N/A LEU 94.A N GLN 90.A O no hydrogen 2.914 N/A LYS 95.A N ILE 91.A O no hydrogen 2.907 N/A LYS 95.A NZ GLU 251.A OE1 no hydrogen 2.618 N/A SER 96.A N VAL 92.A O no hydrogen 3.119 N/A SER 96.A OG VAL 92.A O no hydrogen 3.271 N/A SER 97.A N LEU 93.A O no hydrogen 3.163 N/A SER 97.A OG LEU 93.A O no hydrogen 2.678 N/A SER 97.A OG LEU 94.A O no hydrogen 3.541 N/A ALA 98.A N LEU 94.A O no hydrogen 2.782 N/A GLU 100.A N SER 97.A O no hydrogen 2.885 N/A VAL 101.A N SER 97.A O no hydrogen 2.968 N/A ILE 102.A N ALA 98.A O no hydrogen 2.973 N/A MET 103.A N ILE 99.A O no hydrogen 3.173 N/A LEU 104.A N GLU 100.A O no hydrogen 2.962 N/A ARG 105.A N VAL 101.A O no hydrogen 2.789 N/A ARG 105.A NH2 THR 25.A O no hydrogen 2.740 N/A SER 106.A N ILE 102.A O no hydrogen 2.678 N/A SER 106.A OG MET 103.A O no hydrogen 2.668 N/A ASN 107.A N LEU 104.A O no hydrogen 2.863 N/A ASN 107.A ND2 GLN 148.A O no hydrogen 3.159 N/A ASN 107.A ND2 GLN 148.A OE1 no hydrogen 2.580 N/A GLU 108.A N ARG 105.A O no hydrogen 3.123 N/A SER 109.A N SER 106.A O no hydrogen 3.174 N/A SER 109.A OG SER 106.A O no hydrogen 3.527 N/A PHE 110.A N ASN 107.A O no hydrogen 3.345 N/A THR 111.A N SER 116.A O no hydrogen 2.763 N/A ASP 113.A N THR 111.A OG1 no hydrogen 3.022 N/A SER 116.A OG ASP 114.A OD1 no hydrogen 2.710 N/A SER 116.A OG ASP 114.A OD2 no hydrogen 3.519 N/A SER 116.A OG THR 118.A OG1 no hydrogen 2.995 N/A TRP 117.A N TYR 126.A O no hydrogen 3.113 N/A TRP 117.A NE1 SER 106.A OG no hydrogen 3.005 N/A THR 118.A N SER 109.A O no hydrogen 2.713 N/A THR 118.A OG1 SER 116.A OG no hydrogen 2.995 N/A CYS 119.A N TYR 124.A O no hydrogen 2.855 N/A CYS 119.A SG SER 109.A OG no hydrogen 3.393 N/A LYS 125.A N GLN 122.A O no hydrogen 3.181 N/A LYS 125.A NZ ASP 114.A OD2 no hydrogen 2.388 N/A LYS 125.A NZ SER 116.A OG no hydrogen 3.271 N/A LYS 125.A NZ THR 118.A OG1 no hydrogen 3.358 N/A TYR 126.A N TRP 117.A O no hydrogen 2.875 N/A TYR 126.A OH HIS 60.A NE2 no hydrogen 2.624 N/A ARG 127.A N ASP 130.A OD2 no hydrogen 2.988 N/A VAL 131.A N ARG 127.A O no hydrogen 3.387 N/A VAL 131.A N VAL 128.A O no hydrogen 3.067 N/A THR 132.A N VAL 128.A O no hydrogen 3.141 N/A THR 132.A OG1 SER 129.A O no hydrogen 2.639 N/A LYS 133.A N SER 129.A O no hydrogen 2.972 N/A LYS 133.A NZ ASP 44.A OD1 no hydrogen 2.950 N/A ALA 134.A N VAL 131.A O no hydrogen 3.308 N/A GLY 135.A N THR 132.A O no hydrogen 2.929 N/A HIS 136.A N VAL 131.A O no hydrogen 3.198 N/A SER 137.A N GLN 231.A OE1 no hydrogen 2.714 N/A SER 137.A OG GLU 139.A OE2 no hydrogen 3.338 N/A GLU 139.A N GLU 139.A OE2 no hydrogen 2.719 N/A LEU 140.A N SER 137.A O no hydrogen 3.090 N/A ILE 141.A N SER 137.A O no hydrogen 3.171 N/A GLU 142.A N LEU 138.A O no hydrogen 3.070 N/A LEU 144.A N LEU 140.A O no hydrogen 3.174 N/A ILE 145.A N ILE 141.A O no hydrogen 2.979 N/A LYS 146.A N GLU 142.A O no hydrogen 3.146 N/A LYS 146.A NZ GLU 142.A O no hydrogen 2.860 N/A PHE 147.A N PRO 143.A O no hydrogen 2.859 N/A GLN 148.A N LEU 144.A O no hydrogen 2.832 N/A GLN 148.A NE2 MET 103.A O no hydrogen 2.954 N/A VAL 149.A N ILE 145.A O no hydrogen 2.842 N/A GLY 150.A N LYS 146.A O no hydrogen 2.977 N/A LEU 151.A N PHE 147.A O no hydrogen 3.015 N/A LYS 152.A N GLN 148.A O no hydrogen 2.885 N/A LYS 152.A NZ ASN 107.A O no hydrogen 3.114 N/A LYS 152.A NZ PHE 110.A O no hydrogen 2.922 N/A LYS 153.A N VAL 149.A O no hydrogen 2.948 N/A LYS 153.A N GLY 150.A O no hydrogen 3.163 N/A LEU 154.A N GLY 150.A O no hydrogen 3.271 N/A ASN 155.A N LYS 152.A O no hydrogen 2.887 N/A HIS 157.A N GLU 160.A OE2 no hydrogen 2.675 N/A HIS 157.A ND1 TYR 197.A OH no hydrogen 2.825 N/A GLU 159.A N GLU 159.A OE2 no hydrogen 2.753 N/A HIS 161.A N HIS 157.A O no hydrogen 2.922 N/A VAL 162.A N GLU 158.A O no hydrogen 2.781 N/A LEU 163.A N GLU 159.A O no hydrogen 3.023 N/A LEU 164.A N GLU 160.A O no hydrogen 2.900 N/A MET 165.A N HIS 161.A O no hydrogen 3.263 N/A ALA 166.A N VAL 162.A O no hydrogen 3.202 N/A ILE 167.A N LEU 163.A O no hydrogen 2.895 N/A CYS 168.A N LEU 164.A O no hydrogen 2.888 N/A CYS 168.A SG GLU 100.A OE1 no hydrogen 3.098 N/A ILE 169.A N MET 165.A O no hydrogen 3.087 N/A VAL 170.A N ALA 166.A O no hydrogen 2.981 N/A SER 171.A N ILE 169.A O no hydrogen 2.829 N/A SER 171.A OG ILE 167.A O no hydrogen 3.036 N/A SER 171.A OG CYS 168.A O no hydrogen 2.612 N/A ARG 174.A NH1 GLU 100.A OE1 no hydrogen 3.416 N/A ARG 174.A NH1 GLU 100.A OE2 no hydrogen 2.498 N/A ARG 174.A NH2 GLU 100.A OE1 no hydrogen 2.593 N/A ARG 174.A NH2 CYS 168.A O no hydrogen 3.073 N/A VAL 177.A N ARG 174.A O no hydrogen 3.396 N/A GLN 178.A N ASP 89.A OD2 no hydrogen 2.648 N/A ASP 179.A N ASP 89.A OD1 no hydrogen 3.020 N/A ALA 180.A N GLN 178.A O no hydrogen 3.215 N/A LEU 182.A N ASP 179.A OD2 no hydrogen 3.282 N/A ILE 183.A N ASP 179.A O no hydrogen 3.265 N/A GLU 184.A N ALA 180.A O no hydrogen 2.778 N/A ALA 185.A N ALA 181.A O no hydrogen 2.665 N/A ILE 186.A N LEU 182.A O no hydrogen 2.885 N/A GLN 187.A N ILE 183.A O no hydrogen 2.784 N/A GLN 187.A NE2 ILE 167.A O no hydrogen 3.099 N/A ASP 188.A N GLU 184.A O no hydrogen 2.662 N/A ARG 189.A N ALA 185.A O no hydrogen 3.079 N/A ARG 189.A NH2 PRO 80.A O no hydrogen 2.915 N/A LEU 190.A N ILE 186.A O no hydrogen 3.233 N/A SER 191.A N GLN 187.A O no hydrogen 2.771 N/A SER 191.A OG GLN 187.A O no hydrogen 2.377 N/A ASN 192.A N ASP 188.A O no hydrogen 2.849 N/A THR 193.A N ARG 189.A O no hydrogen 3.029 N/A THR 193.A OG1 ARG 189.A O no hydrogen 2.816 N/A LEU 194.A N LEU 190.A O no hydrogen 2.697 N/A GLN 195.A N SER 191.A O no hydrogen 2.695 N/A THR 196.A N ASN 192.A O no hydrogen 3.203 N/A THR 196.A OG1 ASN 192.A O no hydrogen 2.731 N/A TYR 197.A N THR 193.A O no hydrogen 2.893 N/A TYR 197.A OH HIS 157.A ND1 no hydrogen 2.825 N/A ILE 198.A N LEU 194.A O no hydrogen 3.062 N/A ARG 199.A N GLN 195.A O no hydrogen 3.403 N/A CYS 200.A N THR 196.A O no hydrogen 2.708 N/A CYS 200.A SG PRO 5.A O no hydrogen 3.094 N/A ARG 201.A N TYR 197.A O no hydrogen 2.651 N/A HIS 202.A N ILE 198.A O no hydrogen 2.863 N/A HIS 202.A ND1 GLU 160.A OE1 no hydrogen 2.731 N/A TYR 211.A N HIS 208.A O no hydrogen 3.178 N/A LYS 213.A N LEU 209.A O no hydrogen 3.515 N/A MET 214.A N LEU 210.A O no hydrogen 2.947 N/A ILE 215.A N TYR 211.A O no hydrogen 3.086 N/A GLN 216.A N ALA 212.A O no hydrogen 3.067 N/A LYS 217.A N LYS 213.A O no hydrogen 3.184 N/A LEU 218.A N MET 214.A O no hydrogen 3.273 N/A ALA 219.A N ILE 215.A O no hydrogen 3.186 N/A ASP 220.A N GLN 216.A O no hydrogen 2.885 N/A LEU 221.A N LYS 217.A O no hydrogen 2.955 N/A ARG 222.A N LEU 218.A O no hydrogen 3.323 N/A ARG 222.A NH1 ASP 173.A O no hydrogen 3.321 N/A ARG 222.A NH2 ASP 173.A OD2 no hydrogen 2.960 N/A LEU 224.A N ASP 220.A O no hydrogen 3.144 N/A ASN 225.A N LEU 221.A O no hydrogen 2.970 N/A ASN 225.A ND2 SER 96.A O no hydrogen 2.998 N/A ASN 225.A ND2 GLU 100.A OE2 no hydrogen 2.858 N/A GLU 226.A N ARG 222.A O no hydrogen 3.172 N/A GLU 227.A N SER 223.A O no hydrogen 2.947 N/A HIS 228.A N LEU 224.A O no hydrogen 2.642 N/A SER 229.A N ASN 225.A O no hydrogen 2.793 N/A LYS 230.A N GLU 226.A O no hydrogen 3.218 N/A GLN 231.A N GLU 227.A O no hydrogen 2.952 N/A GLN 231.A NE2 GLU 227.A OE1 no hydrogen 2.543 N/A TYR 232.A N HIS 228.A O no hydrogen 2.678 N/A ARG 233.A N SER 229.A O no hydrogen 2.970 N/A CYS 234.A N LYS 230.A O no hydrogen 3.379 N/A LEU 235.A N GLN 231.A O no hydrogen 3.009 N/A SER 236.A N TYR 232.A O no hydrogen 2.864 N/A SER 236.A OG ARG 233.A O no hydrogen 2.502 N/A PHE 237.A N ARG 233.A O no hydrogen 3.241 N/A PHE 237.A N CYS 234.A O no hydrogen 3.090 N/A GLN 238.A N LEU 235.A O no hydrogen 2.868 N/A CYS 241.A N GLN 238.A O no hydrogen 2.885 N/A CYS 241.A SG LEU 235.A O no hydrogen 3.296 N/A LYS 244.A N CYS 241.A O no hydrogen 2.784 N/A LEU 245.A N SER 242.A O no hydrogen 3.067 N/A THR 246.A OG1 SER 66.A OG no hydrogen 2.718 N/A VAL 249.A N THR 246.A OG1 no hydrogen 3.147 N/A LEU 250.A N THR 246.A O no hydrogen 2.981 N/A GLU 251.A N PRO 247.A O no hydrogen 3.087 N/A GLU 251.A N LEU 248.A O no hydrogen 3.260 N/A VAL 252.A N LEU 248.A O no hydrogen 2.921 N/A PHE 253.A N VAL 249.A O no hydrogen 2.919 N/A