Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wx2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE PRO 93.A O no hydrogen 2.957 N/A ARG 3.A NH1 ASP 124.A OD1 no hydrogen 2.795 N/A TYR 4.A OH SER 125.A OG no hydrogen 2.739 N/A ASN 6.A N GLU 2.A O no hydrogen 2.941 N/A LEU 7.A N ARG 3.A O no hydrogen 2.977 N/A PHE 8.A N TYR 4.A O no hydrogen 2.902 N/A ALA 9.A N GLU 5.A O no hydrogen 3.034 N/A GLN 10.A N ASN 6.A O no hydrogen 3.067 N/A LEU 11.A N LEU 7.A O no hydrogen 2.895 N/A ASN 12.A N PHE 8.A O no hydrogen 2.833 N/A ASP 13.A N ALA 9.A O no hydrogen 2.993 N/A ARG 14.A N LEU 11.A O no hydrogen 2.954 N/A ARG 14.A NE GLU 16.A OE2 no hydrogen 3.259 N/A ARG 14.A NH2 GLU 16.A OE1 no hydrogen 3.140 N/A ARG 15.A N ASN 12.A O no hydrogen 2.937 N/A GLU 16.A N LEU 11.A O no hydrogen 2.963 N/A GLY 17.A N SER 251.A O no hydrogen 2.933 N/A ALA 18.A N ALA 214.A O no hydrogen 2.849 N/A PHE 19.A N ASP 46.A OD2 no hydrogen 2.874 N/A VAL 20.A N ALA 216.A O no hydrogen 2.901 N/A PHE 22.A N SER 218.A O no hydrogen 2.766 N/A VAL 23.A N GLU 49.A O no hydrogen 3.170 N/A LEU 25.A N GLY 51.A O no hydrogen 2.905 N/A GLY 26.A N SER 33.A OG no hydrogen 3.006 N/A ASP 27.A N THR 24.A O no hydrogen 3.148 N/A GLN 32.A NE2 PRO 233.A O no hydrogen 3.348 N/A SER 33.A N GLY 29.A O no hydrogen 2.961 N/A LEU 34.A N ILE 30.A O no hydrogen 2.997 N/A LYS 35.A N GLU 31.A O no hydrogen 3.070 N/A ILE 36.A N GLN 32.A O no hydrogen 2.837 N/A ILE 37.A N SER 33.A O no hydrogen 2.961 N/A ASP 38.A N LEU 34.A O no hydrogen 3.037 N/A THR 39.A N LYS 35.A O no hydrogen 2.918 N/A THR 39.A OG1 LYS 35.A O no hydrogen 3.180 N/A LEU 40.A N ILE 36.A O no hydrogen 2.902 N/A ILE 41.A N ILE 37.A O no hydrogen 3.049 N/A ASP 42.A N.A ASP 38.A O no hydrogen 2.899 N/A ASP 42.A N.B ASP 38.A O no hydrogen 2.881 N/A ALA 43.A N THR 39.A O no hydrogen 2.954 N/A GLY 44.A N ILE 41.A O no hydrogen 2.912 N/A ALA 45.A N LEU 40.A O no hydrogen 3.041 N/A ASP 46.A N PHE 19.A O no hydrogen 2.957 N/A LEU 48.A N PRO 96.A O no hydrogen 2.926 N/A GLU 49.A N PRO 21.A O no hydrogen 2.995 N/A LEU 50.A N GLY 98.A O no hydrogen 2.756 N/A GLY 51.A N VAL 23.A O no hydrogen 2.937 N/A SER 55.A OG ASP 56.A OD1 no hydrogen 2.765 N/A LEU 58.A N ASP 56.A O no hydrogen 2.749 N/A ALA 59.A N TYR 102.A OH no hydrogen 2.976 N/A ASP 60.A N PRO 57.A O no hydrogen 3.212 N/A GLN 65.A N GLY 61.A O no hydrogen 2.891 N/A GLN 65.A NE2 ASP 60.A O no hydrogen 2.883 N/A ASN 66.A N PRO 62.A O no hydrogen 2.842 N/A ALA 67.A N THR 63.A O no hydrogen 3.043 N/A ASN 68.A N ILE 64.A O no hydrogen 3.015 N/A ASN 68.A ND2 PHE 54.A O no hydrogen 3.373 N/A LEU 69.A N GLN 65.A O no hydrogen 3.055 N/A ARG 70.A N ASN 66.A O no hydrogen 2.910 N/A ARG 70.A NE ASP 27.A OD1 no hydrogen 2.650 N/A ARG 70.A NH2 ASP 27.A OD1 no hydrogen 3.432 N/A ARG 70.A NH2 ASP 27.A OD2 no hydrogen 2.856 N/A ALA 71.A N ALA 67.A O no hydrogen 2.993 N/A PHE 72.A N ASN 68.A O no hydrogen 2.824 N/A ALA 73.A N LEU 69.A O no hydrogen 2.891 N/A ALA 74.A N ARG 70.A O no hydrogen 3.103 N/A ALA 74.A N ALA 71.A O no hydrogen 3.081 N/A GLY 75.A N PHE 72.A O no hydrogen 2.774 N/A VAL 76.A N ALA 71.A O no hydrogen 3.090 N/A GLN 80.A N THR 77.A OG1 no hydrogen 3.067 N/A CYS 81.A N THR 77.A O no hydrogen 2.949 N/A CYS 81.A SG THR 77.A O no hydrogen 3.488 N/A PHE 82.A N PRO 78.A O no hydrogen 2.934 N/A GLU 83.A N ALA 79.A O no hydrogen 3.204 N/A MET 84.A N GLN 80.A O no hydrogen 3.002 N/A LEU 85.A N CYS 81.A O no hydrogen 2.841 N/A ALA 86.A N PHE 82.A O no hydrogen 3.098 N/A LEU 87.A N GLU 83.A O no hydrogen 3.222 N/A ILE 88.A N MET 84.A O no hydrogen 2.922 N/A ARG 89.A N LEU 85.A O no hydrogen 2.999 N/A ARG 89.A NE GLY 122.A O no hydrogen 2.904 N/A ARG 89.A NH1 HIS 92.A O no hydrogen 2.759 N/A ARG 89.A NH1 ILE 95.A O no hydrogen 2.731 N/A ARG 89.A NH2 ILE 95.A O no hydrogen 3.030 N/A ARG 89.A NH2 GLY 122.A O no hydrogen 2.795 N/A GLU 90.A N.A ALA 86.A O no hydrogen 3.081 N/A GLU 90.A N.B ALA 86.A O no hydrogen 3.114 N/A LYS 91.A N LEU 87.A O no hydrogen 3.156 N/A LYS 91.A NZ ASP 38.A OD1 no hydrogen 3.337 N/A LYS 91.A NZ ASP 38.A OD2 no hydrogen 2.708 N/A HIS 92.A N ARG 89.A O no hydrogen 3.263 N/A HIS 92.A NE2 ASP 38.A OD1 no hydrogen 2.706 N/A ILE 97.A N ASP 124.A OD2 no hydrogen 2.777 N/A GLY 98.A N LEU 48.A O no hydrogen 2.853 N/A LEU 99.A N SER 125.A O no hydrogen 2.868 N/A LEU 100.A N LEU 50.A O no hydrogen 2.881 N/A MET 101.A N LEU 127.A O no hydrogen 2.856 N/A TYR 102.A OH ASP 60.A OD2 no hydrogen 2.684 N/A ALA 103.A N ASP 130.A OD1 no hydrogen 2.774 N/A LEU 105.A N TYR 102.A O no hydrogen 3.052 N/A PHE 107.A N ALA 103.A O no hydrogen 2.888 N/A GLY 110.A N PHE 107.A O no hydrogen 2.961 N/A PHE 114.A N GLY 110.A O no hydrogen 3.000 N/A TYR 115.A N ILE 111.A O no hydrogen 3.118 N/A ALA 116.A N ASP 112.A O.A no hydrogen 2.839 N/A ALA 116.A N ASP 112.A O.B no hydrogen 2.970 N/A ARG 117.A N ALA 113.A O no hydrogen 2.986 N/A CYS 118.A N PHE 114.A O no hydrogen 3.017 N/A CYS 118.A SG PHE 114.A O no hydrogen 3.515 N/A GLU 119.A N TYR 115.A O no hydrogen 2.956 N/A GLN 120.A N ALA 116.A O no hydrogen 2.928 N/A VAL 121.A N ARG 117.A O no hydrogen 3.036 N/A GLY 122.A N GLU 119.A O no hydrogen 3.058 N/A VAL 123.A N CYS 118.A O no hydrogen 2.978 N/A ASP 124.A N ILE 97.A O no hydrogen 2.803 N/A SER 125.A N ILE 97.A O no hydrogen 3.291 N/A SER 125.A OG TYR 4.A OH no hydrogen 2.739 N/A VAL 126.A N ALA 149.A O no hydrogen 2.976 N/A LEU 127.A N LEU 99.A O no hydrogen 2.935 N/A ALA 129.A N MET 101.A O no hydrogen 2.761 N/A VAL 131.A N VAL 128.A O no hydrogen 3.251 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.853 N/A GLU 135.A N PRO 132.A O no hydrogen 3.013 N/A SER 136.A N VAL 133.A O no hydrogen 3.083 N/A SER 136.A OG VAL 133.A O no hydrogen 2.690 N/A ARG 140.A N SER 136.A O no hydrogen 2.939 N/A ARG 140.A NE SER 136.A OG no hydrogen 2.979 N/A GLN 141.A N ALA 137.A O no hydrogen 3.018 N/A ALA 142.A N PRO 138.A O no hydrogen 3.163 N/A ALA 143.A N PHE 139.A O no hydrogen 2.857 N/A LEU 144.A N ARG 140.A O no hydrogen 2.905 N/A ARG 145.A N GLN 141.A O no hydrogen 2.892 N/A ARG 145.A NE ASP 112.A OD1.B no hydrogen 3.316 N/A ARG 145.A NH2 ASP 112.A OD1.A no hydrogen 2.728 N/A ARG 145.A NH2 ASP 112.A OD1.B no hydrogen 3.142 N/A ARG 145.A NH2 ASP 112.A OD2.A no hydrogen 3.219 N/A HIS 146.A N ALA 142.A O no hydrogen 3.211 N/A HIS 146.A N ALA 143.A O no hydrogen 2.916 N/A HIS 146.A ND1 ALA 142.A O no hydrogen 2.947 N/A ASN 147.A N LEU 144.A O no hydrogen 3.134 N/A ASN 147.A ND2 GLU 119.A OE2 no hydrogen 2.803 N/A ILE 148.A N ALA 143.A O no hydrogen 2.842 N/A ALA 149.A N ASP 124.A O no hydrogen 2.826 N/A ILE 151.A N VAL 126.A O no hydrogen 2.982 N/A CYS 154.A N TYR 175.A O no hydrogen 2.692 N/A CYS 154.A SG PRO 155.A O no hydrogen 3.945 N/A ALA 158.A N PRO 155.A O no hydrogen 3.072 N/A LEU 162.A N ASP 159.A OD1 no hydrogen 2.933 N/A LEU 163.A N ASP 159.A O no hydrogen 2.984 N/A ARG 164.A N ASP 160.A O no hydrogen 3.018 N/A ARG 164.A NE ASP 160.A OD2 no hydrogen 2.732 N/A GLN 165.A N ASP 161.A O no hydrogen 2.962 N/A VAL 166.A N LEU 162.A O no hydrogen 2.887 N/A ALA 167.A N LEU 163.A O no hydrogen 2.899 N/A SER 168.A N ARG 164.A O no hydrogen 2.887 N/A TYR 169.A N GLN 165.A O no hydrogen 2.809 N/A GLY 170.A N VAL 166.A O no hydrogen 3.080 N/A ARG 171.A N PRO 150.A O no hydrogen 3.055 N/A ARG 171.A NH1 SER 168.A O no hydrogen 2.840 N/A ARG 171.A NH1 GLY 170.A O no hydrogen 2.941 N/A THR 174.A N PRO 192.A O no hydrogen 2.894 N/A THR 174.A OG1 ALA 191.A O no hydrogen 2.810 N/A TYR 175.A N PHE 152.A O no hydrogen 3.079 N/A LEU 176.A N LEU 194.A O no hydrogen 2.959 N/A LEU 177.A N CYS 154.A O no hydrogen 3.243 N/A SER 178.A N GLY 196.A O no hydrogen 2.958 N/A SER 178.A OG GLY 196.A O no hydrogen 2.893 N/A SER 178.A OG PHE 197.A O no hydrogen 2.676 N/A GLU 183.A N HIS 179.A O no hydrogen 3.237 N/A LYS 184.A N HIS 180.A O no hydrogen 3.081 N/A LYS 184.A NZ GLU 187.A OE1 no hydrogen 2.896 N/A LEU 185.A N LEU 181.A O no hydrogen 2.880 N/A LYS 186.A N ILE 182.A O no hydrogen 3.149 N/A LYS 186.A NZ GLY 212.A O no hydrogen 2.944 N/A GLU 187.A N GLU 183.A O no hydrogen 2.801 N/A TYR 188.A N LYS 184.A O no hydrogen 2.835 N/A TYR 188.A OH ASP 160.A OD1 no hydrogen 2.488 N/A HIS 189.A N LYS 186.A O no hydrogen 3.035 N/A ALA 190.A N LEU 185.A O no hydrogen 2.850 N/A LEU 194.A N THR 174.A O no hydrogen 2.847 N/A GLN 195.A N GLY 215.A O no hydrogen 2.994 N/A GLY 196.A N LEU 176.A O no hydrogen 2.931 N/A SER 200.A N GLN 204.A OE1 no hydrogen 2.785 N/A SER 200.A OG GLN 204.A OE1 no hydrogen 3.284 N/A SER 201.A N GLN 204.A OE1 no hydrogen 2.888 N/A SER 201.A OG GLN 204.A OE1 no hydrogen 2.947 N/A GLN 204.A N SER 201.A O no hydrogen 2.878 N/A GLN 204.A NE2 GLY 198.A O no hydrogen 2.645 N/A VAL 205.A N SER 201.A O no hydrogen 3.354 N/A SER 206.A N.A PRO 202.A O no hydrogen 3.047 N/A SER 206.A N.B PRO 202.A O no hydrogen 3.026 N/A SER 206.A OG.A PRO 202.A O no hydrogen 3.526 N/A SER 206.A OG.A GLU 203.A O no hydrogen 2.850 N/A SER 206.A OG.B PRO 202.A O no hydrogen 3.432 N/A SER 206.A OG.B ALA 250.A O no hydrogen 2.710 N/A ALA 207.A N GLU 203.A O no hydrogen 3.031 N/A ALA 208.A N GLN 204.A O no hydrogen 3.041 N/A VAL 209.A N VAL 205.A O no hydrogen 3.217 N/A ARG 210.A N SER 206.A O.A no hydrogen 2.903 N/A ARG 210.A N SER 206.A O.B no hydrogen 2.964 N/A ALA 211.A N ALA 207.A O no hydrogen 2.898 N/A GLY 212.A N VAL 209.A O no hydrogen 2.933 N/A ALA 213.A N ALA 208.A O no hydrogen 3.203 N/A ALA 214.A N ALA 193.A O no hydrogen 2.714 N/A ALA 216.A N ALA 18.A O no hydrogen 2.969 N/A ILE 217.A N GLN 195.A O no hydrogen 2.720 N/A SER 218.A N VAL 20.A O no hydrogen 2.925 N/A SER 218.A OG ILE 199.A O no hydrogen 3.002 N/A VAL 223.A N GLY 219.A O no hydrogen 2.798 N/A LYS 224.A N SER 220.A O no hydrogen 2.688 N/A ILE 225.A N ILE 222.A O no hydrogen 3.026 N/A ILE 226.A N ILE 222.A O no hydrogen 3.362 N/A GLU 227.A N VAL 223.A O no hydrogen 2.810 N/A LYS 228.A N LYS 224.A O no hydrogen 2.830 N/A LYS 228.A NZ GLU 239.A OE1 no hydrogen 2.927 N/A LYS 228.A NZ GLU 239.A OE2 no hydrogen 3.298 N/A ASN 229.A N ILE 226.A O no hydrogen 3.058 N/A ASN 229.A ND2 ILE 225.A O no hydrogen 2.814 N/A ASN 229.A ND2 GLU 239.A OE1 no hydrogen 3.233 N/A SER 232.A N ASN 229.A O no hydrogen 2.903 N/A GLN 235.A NE2 GLU 239.A OE2 no hydrogen 3.196 N/A MET 236.A N SER 232.A O no hydrogen 2.862 N/A LEU 237.A N PRO 233.A O no hydrogen 3.090 N/A ALA 238.A N LYS 234.A O no hydrogen 3.226 N/A GLU 239.A N GLN 235.A O no hydrogen 2.843 N/A LEU 240.A N MET 236.A O no hydrogen 2.839 N/A ARG 241.A N LEU 237.A O no hydrogen 2.851 N/A ARG 241.A NH1 ASP 42.A OD2.A no hydrogen 2.990 N/A ARG 241.A NH1 ASP 42.A OD2.B no hydrogen 3.098 N/A ARG 241.A NH2 ASP 42.A OD2.A no hydrogen 2.710 N/A SER 242.A N ALA 238.A O no hydrogen 3.089 N/A SER 242.A OG ALA 238.A O no hydrogen 3.325 N/A PHE 243.A N GLU 239.A O no hydrogen 3.006 N/A VAL 244.A N LEU 240.A O no hydrogen 2.899 N/A SER 245.A N.A ARG 241.A O no hydrogen 3.036 N/A SER 245.A N.B ARG 241.A O no hydrogen 3.036 N/A SER 245.A OG.B ARG 241.A O no hydrogen 2.593 N/A ALA 246.A N SER 242.A O no hydrogen 3.096 N/A MET 247.A N PHE 243.A O no hydrogen 2.894 N/A LYS 248.A N VAL 244.A O no hydrogen 2.811 N/A LYS 248.A NZ GLU 16.A OE1 no hydrogen 2.855 N/A LYS 248.A NZ GLY 17.A O no hydrogen 2.817 N/A LYS 248.A NZ ASP 46.A OD1 no hydrogen 3.521 N/A LYS 248.A NZ ASP 46.A OD2 no hydrogen 2.588 N/A LYS 248.A NZ SER 251.A OG no hydrogen 2.903 N/A ALA 249.A N SER 245.A O.A no hydrogen 2.859 N/A ALA 249.A N SER 245.A O.B no hydrogen 2.905 N/A ALA 250.A N ALA 246.A O no hydrogen 3.333 N/A SER 251.A N LYS 248.A O no hydrogen 3.012 N/A SER 251.A OG GLY 17.A O no hydrogen 3.072 N/A SER 251.A OG LYS 248.A O no hydrogen 2.672 N/A ARG 252.A N ALA 249.A O no hydrogen 3.087 N/A