Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4lu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N HIS 8.A O no hydrogen 3.102 N/A THR 3.A OG1 GLU 5.A O no hydrogen 2.512 N/A GLY 9.A N GLY 6.A O no hydrogen 2.734 N/A GLN 10.A N TYR 4.A O no hydrogen 2.843 N/A HIS 12.A N GLY 9.A O no hydrogen 2.765 N/A TRP 13.A N GLN 10.A O no hydrogen 3.191 N/A TRP 13.A NE1 THR 3.A O no hydrogen 2.839 N/A ALA 15.A N HIS 12.A O no hydrogen 2.897 N/A SER 16.A N TRP 13.A O no hydrogen 2.877 N/A TYR 17.A N TRP 13.A O no hydrogen 2.749 N/A CYS 20.A N TYR 17.A O no hydrogen 3.027 N/A GLY 21.A N PRO 18.A O no hydrogen 2.824 N/A ASN 22.A N GLU 19.A O no hydrogen 2.744 N/A ASN 22.A ND2 GLU 19.A OE1 no hydrogen 2.935 N/A ASN 22.A ND2 GLU 19.A OE2 no hydrogen 3.369 N/A ASN 23.A N ASN 22.A OD1 no hydrogen 2.789 N/A ALA 24.A N GLN 203.A OE1 no hydrogen 2.881 N/A GLN 25.A NE2 CYS 201.A O no hydrogen 3.095 N/A GLN 25.A NE2 GLN 203.A OE1 no hydrogen 3.015 N/A SER 26.A N SER 195.A OG no hydrogen 2.931 N/A SER 26.A OG TYR 192.A OH no hydrogen 2.792 N/A SER 26.A OG SER 195.A O no hydrogen 3.493 N/A ILE 30.A N GLN 104.A O no hydrogen 2.765 N/A GLN 31.A NE2 ASP 29.A OD2 no hydrogen 3.153 N/A THR 32.A N ASN 106.A OD1 no hydrogen 2.843 N/A THR 32.A OG1 ASN 106.A OD1 no hydrogen 3.203 N/A THR 32.A OG1 SER 264.A OG no hydrogen 3.036 N/A SER 34.A N GLN 31.A O no hydrogen 2.838 N/A SER 34.A OG ASP 33.A OD1 no hydrogen 2.871 N/A THR 36.A N VAL 254.A O no hydrogen 2.855 N/A ASP 38.A N ALA 256.A O no hydrogen 2.901 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.696 N/A LEU 41.A N ASP 38.A O no hydrogen 3.125 N/A HIS 47.A N TYR 75.A O no hydrogen 2.671 N/A TYR 49.A OH HIS 118.A NE2 no hydrogen 2.694 N/A GLN 51.A N GLY 48A.A O no hydrogen 3.123 N/A GLN 51.A NE2 GLY 53A.A O no hydrogen 2.257 N/A LEU 57.A N VAL 173.A O no hydrogen 2.787 N/A LEU 59.A N THR 171.A O no hydrogen 2.939 N/A HIS 60.A N GLN 67.A O no hydrogen 2.836 N/A ASN 61.A N GLN 169.A O no hydrogen 3.089 N/A ASN 61.A ND2 VAL 164.A O no hydrogen 2.991 N/A ASN 61.A ND2 PHE 229.A O no hydrogen 3.141 N/A ASN 62.A N THR 65.A O no hydrogen 3.154 N/A GLY 63.A N ASN 61.A OD1 no hydrogen 2.697 N/A HIS 64.A N ASN 62.A OD1 no hydrogen 2.829 N/A HIS 64.A NE2 TRP 2.A O no hydrogen 3.002 N/A THR 65.A N ASN 62.A OD1 no hydrogen 3.032 N/A THR 65.A OG1 VAL 66.A O no hydrogen 3.261 N/A THR 65.A OG1 LEU 90.A O no hydrogen 2.574 N/A GLN 67.A N HIS 60.A O no hydrogen 2.680 N/A LEU 68.A N LEU 88.A O no hydrogen 2.815 N/A SER 69.A N ASP 58.A O no hydrogen 2.896 N/A LEU 70.A N ALA 86.A O no hydrogen 2.882 N/A LEU 74.A N PRO 71.A O no hydrogen 3.178 N/A TYR 75.A N HIS 47.A O no hydrogen 3.194 N/A LEU 76.A N TYR 83.A O no hydrogen 2.963 N/A GLY 77.A N GLN 45.A O no hydrogen 2.919 N/A GLY 78.A N LEU 44.A O no hydrogen 2.716 N/A LYS 82.A N ASP 122.A OD2 no hydrogen 3.019 N/A TYR 83.A OH GLN 135.A O no hydrogen 2.581 N/A VAL 84.A N TYR 119.A O no hydrogen 2.859 N/A ALA 85.A N LEU 74.A O no hydrogen 2.876 N/A ALA 86.A N VAL 117.A O no hydrogen 2.869 N/A GLN 87.A N VAL 117.A O no hydrogen 3.416 N/A LEU 88.A N LEU 68.A O no hydrogen 2.954 N/A HIS 89.A N HIS 115.A O no hydrogen 2.925 N/A HIS 89.A ND1 GLN 87.A OE1 no hydrogen 2.795 N/A HIS 89.A NE2 HIS 91.A NE2 no hydrogen 3.109 N/A LEU 90.A N THR 65.A OG1 no hydrogen 3.077 N/A HIS 91.A N GLU 113.A O no hydrogen 2.996 N/A HIS 91.A ND1 ASN 242.A O no hydrogen 2.775 N/A HIS 91.A NE2 HIS 89.A NE2 no hydrogen 3.109 N/A TRP 92.A N ASN 242.A OD1 no hydrogen 2.776 N/A TRP 92.A NE1 LEU 239.A O no hydrogen 2.872 N/A GLN 94.A NE2 SER 97.A OG no hydrogen 3.061 N/A SER 97.A N GLN 94.A O no hydrogen 2.944 N/A SER 101.A N THR 110.A O no hydrogen 3.001 N/A SER 101.A OG HIS 103.A O no hydrogen 2.861 N/A SER 101.A OG THR 110.A O no hydrogen 3.541 N/A GLU 102.A N GLU 113.A OE1 no hydrogen 2.798 N/A HIS 103.A N GLU 113.A OE1 no hydrogen 2.754 N/A HIS 103.A ND1 GLU 113.A OE2 no hydrogen 2.763 N/A HIS 103.A NE2 TYR 192.A OH no hydrogen 2.566 N/A GLN 104.A N ILE 28.A O no hydrogen 3.245 N/A ILE 105.A N GLU 108.A O no hydrogen 3.278 N/A ASN 106.A N ILE 30.A O no hydrogen 2.759 N/A ASN 106.A ND2 THR 32.A OG1 no hydrogen 2.931 N/A SER 107.A N ASP 29.A OD1 no hydrogen 2.711 N/A SER 107.A OG ASP 29.A OD2 no hydrogen 2.623 N/A GLU 108.A N ILE 105.A O no hydrogen 3.096 N/A THR 110.A N SER 101.A OG no hydrogen 2.971 N/A THR 110.A OG1 ALA 112.A O no hydrogen 3.156 N/A THR 110.A OG1 ILE 144.A O no hydrogen 3.057 N/A ALA 112.A N ILE 144.A O no hydrogen 3.313 N/A GLU 113.A N HIS 91.A O no hydrogen 2.922 N/A LEU 114.A N ILE 142.A O no hydrogen 2.894 N/A HIS 115.A N HIS 89.A O no hydrogen 2.953 N/A HIS 115.A NE2 GLU 113.A OE2 no hydrogen 2.643 N/A ILE 116.A N LEU 140.A O no hydrogen 2.999 N/A VAL 117.A N GLN 87.A O no hydrogen 2.674 N/A HIS 118.A N ALA 138.A O no hydrogen 2.933 N/A HIS 118.A ND1 ALA 138.A O no hydrogen 3.124 N/A HIS 118.A NE2 TYR 49.A OH no hydrogen 2.694 N/A TYR 119.A N VAL 84.A O no hydrogen 2.827 N/A ASP 120.A N GLY 136.A O no hydrogen 2.897 N/A SER 121.A N LYS 82.A O no hydrogen 3.261 N/A SER 123.A N ASP 120.A OD1 no hydrogen 2.984 N/A SER 123.A OG ASP 120.A OD2 no hydrogen 2.709 N/A TYR 124.A N ASP 120.A O no hydrogen 2.936 N/A ASP 125.A N GLU 129.A OE1 no hydrogen 3.039 N/A SER 126.A OG SER 128.A OG no hydrogen 3.203 N/A SER 128.A OG SER 126.A OG no hydrogen 3.203 N/A GLU 129.A N SER 126.A OG no hydrogen 3.217 N/A ALA 130.A N SER 126.A O no hydrogen 3.059 N/A ALA 131.A N LEU 127.A O no hydrogen 2.822 N/A GLU 132.A N GLU 129.A O no hydrogen 3.373 N/A ARG 133.A N ALA 130.A O no hydrogen 3.068 N/A GLY 136.A N ARG 133.A O no hydrogen 2.996 N/A LEU 137.A N SER 204.A O no hydrogen 2.902 N/A ALA 138.A N HIS 118.A O no hydrogen 3.014 N/A VAL 139.A N LEU 206.A O no hydrogen 3.345 N/A LEU 140.A N ILE 116.A O no hydrogen 2.976 N/A GLY 141.A N THR 208.A O no hydrogen 2.769 N/A ILE 142.A N LEU 114.A O no hydrogen 2.879 N/A ILE 144.A N ALA 112.A O no hydrogen 2.793 N/A GLU 145.A N SER 214.A O no hydrogen 2.894 N/A GLY 147.A N ILE 216.A O no hydrogen 2.746 N/A ASN 151.A N GLN 220.A OE1 no hydrogen 2.852 N/A ASN 151.A ND2 GLN 215.A O.A no hydrogen 2.845 N/A ASN 151.A ND2 GLN 215.A O.B no hydrogen 2.820 N/A TYR 154.A N ASN 151.A OD1 no hydrogen 3.127 N/A TYR 154.A OH LEU 181.A O no hydrogen 2.728 N/A GLU 155.A N ASN 151.A O no hydrogen 2.984 N/A HIS 156.A N ILE 152.A O no hydrogen 3.134 N/A HIS 156.A N ALA 153.A O no hydrogen 3.084 N/A ILE 157.A N TYR 154.A O no hydrogen 2.852 N/A LEU 158.A N TYR 154.A O no hydrogen 2.894 N/A SER 159.A N GLU 155.A O no hydrogen 2.918 N/A SER 159.A OG GLU 155.A O no hydrogen 2.964 N/A HIS 160.A N ILE 157.A O no hydrogen 2.980 N/A HIS 160.A ND1 GLU 163.A OE1 no hydrogen 2.777 N/A LEU 161.A N LEU 158.A O no hydrogen 3.193 N/A GLU 163.A N HIS 160.A O no hydrogen 2.988 N/A VAL 164.A N LEU 161.A O no hydrogen 2.949 N/A HIS 166.A N GLN 169.A OE1 no hydrogen 2.979 N/A LYS 167.A N THR 231.A O no hydrogen 2.734 N/A LYS 167.A NZ ASP 168.A OD2 no hydrogen 2.810 N/A LYS 167.A NZ GLU 232.A OE2 no hydrogen 3.413 N/A ASP 168.A N ASN 61.A O no hydrogen 2.613 N/A GLN 169.A N HIS 166.A O no hydrogen 3.045 N/A THR 171.A N LEU 59.A O no hydrogen 2.913 N/A THR 171.A OG1 GLU 163.A OE1 no hydrogen 2.582 N/A VAL 173.A N LEU 57.A O no hydrogen 2.802 N/A LEU 178.A N TYR 49.A O no hydrogen 2.896 N/A ARG 179.A N ASN 177.A OD1 no hydrogen 2.919 N/A ARG 179.A NE ARG 179.A O no hydrogen 2.890 N/A ARG 179.A NH2 ARG 179.A O no hydrogen 3.322 N/A GLU 180.A N ASN 177.A O no hydrogen 3.409 N/A LEU 181.A N LEU 178.A O no hydrogen 2.964 N/A LEU 182.A N ARG 179.A O no hydrogen 2.959 N/A GLN 188.A N GLN 185.A O no hydrogen 3.011 N/A TYR 189.A N SER 257.A OG no hydrogen 2.952 N/A TYR 189.A OH PRO 42.A O no hydrogen 2.570 N/A PHE 190.A N VAL 209.A O no hydrogen 2.829 N/A ARG 191.A N PHE 255.A O no hydrogen 2.780 N/A ARG 191.A NE TRP 207.A O no hydrogen 3.253 N/A ARG 191.A NE THR 208.A OG1 no hydrogen 2.975 N/A ARG 191.A NH2 THR 208.A OG1 no hydrogen 2.836 N/A TYR 192.A N TRP 207.A O no hydrogen 3.218 N/A TYR 192.A OH SER 26.A OG no hydrogen 2.792 N/A TYR 192.A OH HIS 103.A NE2 no hydrogen 2.566 N/A GLY 194.A N VAL 205.A O no hydrogen 2.913 N/A SER 195.A N SER 26.A OG no hydrogen 2.912 N/A SER 195.A OG LEU 196.A O no hydrogen 2.802 N/A LEU 196.A N TYR 202.A O no hydrogen 2.978 N/A THR 197.A OG1 GLU 102.A OE1 no hydrogen 2.568 N/A THR 197.A OG1 GLU 102.A OE2 no hydrogen 3.557 N/A CYS 201.A N THR 198.A O no hydrogen 2.774 N/A SER 204.A OG ALA 131.A O no hydrogen 2.593 N/A SER 204.A OG TYR 202.A O no hydrogen 3.472 N/A VAL 205.A N GLY 194.A O no hydrogen 3.326 N/A LEU 206.A N LEU 137.A O no hydrogen 2.832 N/A TRP 207.A N TYR 192.A O no hydrogen 2.871 N/A TRP 207.A NE1 SER 195.A O no hydrogen 2.893 N/A THR 208.A N VAL 139.A O no hydrogen 3.067 N/A VAL 209.A N PHE 190.A O no hydrogen 2.928 N/A PHE 210.A N GLY 141.A O no hydrogen 3.131 N/A TYR 211.A N GLN 188.A O no hydrogen 2.973 N/A ARG 213.A NH1 GLU 145.A OE1 no hydrogen 2.818 N/A SER 214.A N LEU 143.A O no hydrogen 2.949 N/A SER 214.A OG LEU 181.A O no hydrogen 2.973 N/A GLN 215.A NE2.A GLU 145.A OE2 no hydrogen 2.643 N/A GLN 215.A NE2.B GLU 145.A OE2 no hydrogen 3.068 N/A ILE 216.A N GLU 145.A O no hydrogen 2.995 N/A SER 217.A N GLN 220.A OE1 no hydrogen 3.007 N/A SER 217.A OG GLU 219.A OE1 no hydrogen 3.439 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.768 N/A GLN 220.A N SER 217.A OG no hydrogen 2.973 N/A GLN 220.A NE2 ASN 151.A O no hydrogen 2.872 N/A GLN 220.A NE2 GLU 155.A OE1 no hydrogen 2.917 N/A LEU 221.A N SER 217.A O no hydrogen 2.966 N/A GLU 222.A N MET 218.A O no hydrogen 3.073 N/A LYS 223.A N GLU 219.A O no hydrogen 3.046 N/A LYS 223.A NZ GLU 155.A OE2 no hydrogen 3.105 N/A LEU 224.A N GLN 220.A O no hydrogen 2.925 N/A GLN 225.A N LEU 221.A O no hydrogen 2.800 N/A THR 227.A OG1 LYS 223.A O no hydrogen 2.633 N/A PHE 229.A N ARG 165.A O no hydrogen 2.648 N/A SER 230.A N LYS 237.A O no hydrogen 2.701 N/A SER 230.A OG LYS 237.A O no hydrogen 3.314 N/A SER 236.A N GLU 234.A OE1 no hydrogen 3.148 N/A SER 236.A OG GLU 234.A OE1 no hydrogen 3.246 N/A SER 236.A OG GLU 234.A OE2 no hydrogen 2.471 N/A LYS 237.A N THR 231.A OG1 no hydrogen 3.105 N/A LEU 239.A N LEU 228.A O no hydrogen 2.776 N/A GLN 241.A N GLY 93.A O no hydrogen 2.817 N/A ASN 242.A N TRP 92.A O no hydrogen 3.137 N/A ASN 242.A ND2 HIS 64.A O no hydrogen 2.878 N/A ASN 242.A ND2 LEU 90.A O no hydrogen 3.356 N/A ARG 244.A N GLU 102.A OE2 no hydrogen 2.741 N/A ARG 244.A NH1 GLN 25.A OE1 no hydrogen 2.898 N/A ARG 244.A NH1 SER 26.A O no hydrogen 2.893 N/A ARG 244.A NH2 CYS 20.A O no hydrogen 2.974 N/A ARG 244.A NH2 GLN 25.A OE1 no hydrogen 3.370 N/A ALA 245.A N GLN 10.A OE1 no hydrogen 2.724 N/A GLN 247.A N PRO 27.A O no hydrogen 2.851 N/A GLN 247.A NE2 ALA 245.A O no hydrogen 2.857 N/A ASN 250.A ND2 ASN 23.A O no hydrogen 3.006 N/A ARG 252.A N LEU 249.A O no hydrogen 3.190 N/A ARG 252.A NE LEU 249.A O no hydrogen 2.944 N/A ARG 252.A NH1 GLN 25.A O no hydrogen 2.931 N/A ARG 252.A NH1 ASN 193.A O no hydrogen 2.947 N/A ARG 252.A NH2 GLN 25.A O no hydrogen 2.889 N/A ARG 252.A NH2 PRO 248.A O no hydrogen 2.904 N/A PHE 255.A N ARG 191.A O no hydrogen 2.874 N/A ALA 256.A N THR 36.A O no hydrogen 2.858 N/A SER 257.A N TYR 189.A O no hydrogen 2.997 N/A SER 257.A OG TYR 189.A O no hydrogen 3.335 N/A SER 257.A OG GLY 187A.A O no hydrogen 2.671 N/A GLN 260.A N SER 263.A OG no hydrogen 2.858 N/A SER 263.A N GLN 260.A O no hydrogen 3.155 N/A SER 263.A OG GLN 260.A O no hydrogen 2.978 N/A TYR 265.A OH PHE 258.A O no hydrogen 2.610 N/A GLY 53A.A N GLN 51.A O no hydrogen 2.715 N/A GLY 226A.A N GLU 222.A O no hydrogen 3.067 N/A