Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w4s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 105.A OD2 no hydrogen 2.733 N/A LYS 2.A NZ GLU 103.A O no hydrogen 3.465 N/A CYS 3.A N.A ASP 40.A O no hydrogen 2.976 N/A CYS 3.A N.B ASP 40.A O no hydrogen 2.989 N/A LEU 4.A N VAL 106.A O no hydrogen 2.864 N/A VAL 5.A N GLU 42.A O no hydrogen 2.816 N/A VAL 6.A N LEU 108.A O no hydrogen 2.873 N/A GLY 7.A N LEU 44.A O no hydrogen 2.959 N/A HIS 8.A N GLU 115.A OE2 no hydrogen 2.817 N/A HIS 8.A NE2 SER 94.A O no hydrogen 2.627 N/A VAL 9.A N THR 45.A OG1 no hydrogen 2.967 N/A VAL 10.A N GLY 25.A O no hydrogen 2.871 N/A ARG 11.A N THR 73.A O no hydrogen 2.961 N/A ARG 11.A NH1 GLU 22.A OE1 no hydrogen 2.861 N/A ASP 12.A N ARG 23.A O no hydrogen 2.956 N/A ILE 13.A N TYR 75.A O no hydrogen 2.837 N/A VAL 14.A N LEU 21.A O no hydrogen 2.734 N/A LYS 15.A N.A LEU 77.A O no hydrogen 2.768 N/A LYS 15.A N.B LEU 77.A O no hydrogen 2.785 N/A LYS 15.A NZ.A GLU 76.A OE2.B no hydrogen 2.957 N/A LYS 16.A N LYS 19.A O no hydrogen 2.944 N/A LYS 19.A N LYS 16.A O no hydrogen 3.057 N/A LEU 21.A N VAL 14.A O no hydrogen 2.900 N/A ARG 23.A N ASP 12.A O no hydrogen 2.991 N/A ARG 23.A NH1 TYR 79.A OH no hydrogen 3.494 N/A ARG 23.A NH2 TYR 79.A OH no hydrogen 2.889 N/A GLY 25.A N VAL 10.A O no hydrogen 2.876 N/A TYR 29.A OH GLU 57.A OE2 no hydrogen 2.499 N/A TYR 30.A N GLY 26.A O no hydrogen 3.464 N/A SER 31.A N GLY 27.A O no hydrogen 2.829 N/A SER 31.A OG GLY 27.A O no hydrogen 3.485 N/A SER 31.A OG ASP 219.A O no hydrogen 3.068 N/A ALA 32.A N ALA 28.A O no hydrogen 3.027 N/A LEU 33.A N TYR 29.A O no hydrogen 2.880 N/A ALA 34.A N TYR 30.A O no hydrogen 3.069 N/A LEU 35.A N SER 31.A O no hydrogen 2.860 N/A SER 36.A N ALA 32.A O no hydrogen 2.860 N/A SER 36.A OG LEU 33.A O no hydrogen 2.685 N/A ARG 37.A N ALA 34.A O no hydrogen 3.100 N/A ARG 37.A NH1 VAL 254.A O.A no hydrogen 2.678 N/A ARG 37.A NH1 VAL 254.A O.B no hydrogen 2.652 N/A ARG 37.A NH1 PHE 256.A O no hydrogen 2.744 N/A ARG 37.A NH2 PHE 256.A O no hydrogen 3.152 N/A PHE 38.A N LEU 35.A O no hydrogen 2.818 N/A CYS 39.A N.A LEU 35.A O no hydrogen 2.971 N/A CYS 39.A SG.A LEU 35.A O no hydrogen 3.211 N/A CYS 39.A SG.B ASP 40.A O no hydrogen 3.441 N/A ASP 40.A N MET 1.A O no hydrogen 2.870 N/A GLU 42.A N CYS 3.A O.A no hydrogen 2.811 N/A GLU 42.A N CYS 3.A O.B no hydrogen 2.855 N/A ILE 43.A N LYS 63.A O no hydrogen 2.778 N/A LEU 44.A N VAL 5.A O no hydrogen 2.819 N/A THR 45.A N GLN 65.A O no hydrogen 2.927 N/A THR 45.A OG1 GLY 7.A O no hydrogen 2.752 N/A SER 46.A OG VAL 67.A O no hydrogen 2.718 N/A SER 48.A N THR 72.A OG1 no hydrogen 2.963 N/A SER 48.A OG GLU 70.A O no hydrogen 3.547 N/A SER 48.A OG THR 72.A OG1 no hydrogen 2.794 N/A ASN 49.A N THR 72.A OG1 no hydrogen 3.399 N/A TRP 54.A N PRO 51.A O no hydrogen 2.840 N/A ILE 55.A N PRO 51.A O no hydrogen 3.126 N/A LYS 56.A N GLU 52.A O no hydrogen 3.029 N/A GLU 57.A N GLU 53.A O no hydrogen 2.997 N/A LEU 58.A N TRP 54.A O no hydrogen 2.930 N/A GLU 59.A N ILE 55.A O no hydrogen 2.840 N/A SER 60.A N LYS 56.A O no hydrogen 2.845 N/A SER 60.A N GLU 57.A O no hydrogen 3.283 N/A SER 60.A OG GLU 57.A O no hydrogen 2.595 N/A MET 61.A N LEU 58.A O no hydrogen 3.226 N/A LYS 63.A N VAL 41.A O no hydrogen 3.080 N/A GLN 65.A N ILE 43.A O no hydrogen 2.770 N/A GLN 65.A OE1.B GLU 42.A OE1 no hydrogen 2.744 N/A GLN 65.A OE1.B TYR 104.A OH no hydrogen 3.503 N/A VAL 67.A N THR 45.A O no hydrogen 2.783 N/A SER 69.A OG THR 71.A O no hydrogen 2.730 N/A SER 69.A OG SER 94.A OG no hydrogen 3.160 N/A THR 71.A N SER 69.A OG no hydrogen 3.109 N/A THR 71.A OG1 SER 69.A OG no hydrogen 3.292 N/A THR 71.A OG1 ARG 92.A O no hydrogen 2.625 N/A THR 72.A N GLU 91.A OE2 no hydrogen 2.764 N/A THR 72.A OG1 SER 48.A OG no hydrogen 2.794 N/A THR 72.A OG1 ASN 49.A O no hydrogen 3.338 N/A THR 73.A OG1 HIS 8.A ND1 no hydrogen 2.866 N/A THR 74.A N GLU 91.A O no hydrogen 2.874 N/A THR 74.A OG1 THR 72.A O no hydrogen 2.880 N/A TYR 75.A N ARG 11.A O no hydrogen 3.039 N/A GLU 76.A N.A LYS 88.A O no hydrogen 2.898 N/A GLU 76.A N.B LYS 88.A O no hydrogen 2.911 N/A LEU 77.A N ILE 13.A O no hydrogen 2.771 N/A THR 78.A N ARG 86.A O no hydrogen 2.861 N/A TYR 79.A N LYS 15.A O.A no hydrogen 3.026 N/A TYR 79.A N LYS 15.A O.B no hydrogen 3.054 N/A TYR 79.A OH GLU 213.A OE1 no hydrogen 2.667 N/A TYR 79.A OH GLU 213.A OE2 no hydrogen 3.270 N/A LEU 80.A N ARG 84.A O no hydrogen 2.819 N/A ASN 83.A N ASP 81.A OD1 no hydrogen 2.855 N/A ASN 83.A ND2 SER 214.A OG no hydrogen 2.890 N/A ARG 84.A N ASP 81.A OD1 no hydrogen 2.745 N/A ARG 84.A NE ASP 81.A OD2 no hydrogen 2.880 N/A ARG 84.A NH2 ASP 81.A OD2 no hydrogen 2.907 N/A ARG 85.A NE ASN 83.A O no hydrogen 2.959 N/A ARG 85.A NH1 THR 215.A OG1 no hydrogen 2.968 N/A ARG 85.A NH2 ASN 83.A O no hydrogen 2.869 N/A ARG 85.A NH2 ASN 83.A OD1 no hydrogen 3.308 N/A ARG 85.A NH2 GLU 213.A OE2 no hydrogen 2.977 N/A ARG 85.A NH2 THR 215.A OG1 no hydrogen 3.341 N/A ARG 86.A N THR 78.A O no hydrogen 2.821 N/A LYS 88.A N GLU 76.A O.A no hydrogen 2.985 N/A LYS 88.A N GLU 76.A O.B no hydrogen 2.930 N/A LEU 89.A N GLY 145.A O no hydrogen 2.877 N/A LEU 90.A N THR 74.A O no hydrogen 2.819 N/A ARG 92.A NE ALA 113.A O no hydrogen 3.018 N/A ARG 92.A NH2 ALA 113.A O no hydrogen 2.918 N/A ALA 93.A N THR 73.A OG1 no hydrogen 2.892 N/A SER 94.A N SER 69.A OG no hydrogen 3.093 N/A SER 94.A OG PRO 68.A O no hydrogen 2.781 N/A ILE 96.A N GLU 115.A O no hydrogen 2.821 N/A ASP 105.A N LYS 2.A O no hydrogen 2.901 N/A VAL 106.A N LYS 2.A O no hydrogen 3.330 N/A LEU 107.A N PHE 130.A O no hydrogen 3.013 N/A LEU 108.A N LEU 4.A O no hydrogen 2.763 N/A MET 109.A N ALA 132.A O no hydrogen 2.844 N/A ASN 110.A N VAL 6.A O no hydrogen 2.769 N/A ASN 110.A ND2 SER 31.A OG no hydrogen 2.971 N/A ASN 110.A ND2 ASP 219.A OD1 no hydrogen 2.974 N/A VAL 112.A N.A GLU 115.A OE1 no hydrogen 3.248 N/A VAL 112.A N.A GLU 115.A OE2 no hydrogen 2.812 N/A VAL 112.A N.B GLU 115.A OE1 no hydrogen 3.294 N/A VAL 112.A N.B GLU 115.A OE2 no hydrogen 2.853 N/A ALA 113.A N GLU 115.A OE1 no hydrogen 2.873 N/A ARG 114.A N GLY 137.A O no hydrogen 2.721 N/A ARG 114.A NE ARG 140.A O no hydrogen 2.857 N/A ARG 114.A NH2 ILE 139.A O.A no hydrogen 2.898 N/A ARG 114.A NH2 ILE 139.A O.B no hydrogen 2.992 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.833 N/A LEU 120.A N PRO 117.A O no hydrogen 2.928 N/A THR 122.A N PRO 118.A O no hydrogen 2.949 N/A THR 122.A OG1 PRO 118.A O no hydrogen 3.383 N/A SER 123.A N ALA 119.A O no hydrogen 3.002 N/A SER 123.A OG ALA 119.A O no hydrogen 3.382 N/A SER 123.A OG LEU 120.A O no hydrogen 3.255 N/A ALA 124.A N LEU 120.A O no hydrogen 2.933 N/A LEU 125.A N VAL 121.A O no hydrogen 2.890 N/A LYS 126.A N SER 123.A O no hydrogen 3.122 N/A LYS 127.A N SER 123.A O no hydrogen 3.224 N/A LYS 127.A N ALA 124.A O no hydrogen 3.161 N/A LYS 127.A NZ ASP 101.A OD1 no hydrogen 3.269 N/A PHE 128.A N ALA 124.A O no hydrogen 2.741 N/A ALA 132.A N LEU 107.A O no hydrogen 2.781 N/A VAL 133.A N ILE 162.A O no hydrogen 2.763 N/A ASP 134.A N MET 109.A O no hydrogen 2.911 N/A ILE 135.A N HIS 164.A O no hydrogen 2.975 N/A GLN 136.A N ASP 134.A OD1 no hydrogen 3.010 N/A PHE 138.A N ILE 135.A O no hydrogen 2.794 N/A ILE 139.A N.A ILE 135.A O no hydrogen 3.260 N/A ILE 139.A N.A GLN 136.A O no hydrogen 3.137 N/A ILE 139.A N.B ILE 135.A O no hydrogen 3.303 N/A ILE 139.A N.B GLN 136.A O no hydrogen 3.174 N/A ARG 140.A N GLN 136.A O no hydrogen 2.869 N/A ARG 140.A NH1 TYR 75.A OH no hydrogen 3.282 N/A ARG 140.A NH2 GLN 136.A OE1 no hydrogen 3.334 N/A SER 141.A N GLN 148.A O no hydrogen 2.828 N/A SER 143.A N SER 141.A OG no hydrogen 3.096 N/A SER 143.A OG SER 141.A OG no hydrogen 3.281 N/A GLY 145.A N LEU 89.A O no hydrogen 3.022 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.755 N/A ILE 147.A N.A LEU 87.A O no hydrogen 3.166 N/A ILE 147.A N.B LEU 87.A O no hydrogen 3.178 N/A TYR 149.A OH.B GLU 169.A OE2 no hydrogen 2.645 N/A GLN 150.A N ILE 139.A O.A no hydrogen 3.100 N/A GLN 150.A N ILE 139.A O.B no hydrogen 3.032 N/A GLN 150.A NE2 GLN 148.A OE1 no hydrogen 2.975 N/A ILE 152.A N TYR 172.A O no hydrogen 2.935 N/A GLY 154.A N GLN 174.A O no hydrogen 2.770 N/A SER 155.A N.A ASP 153.A OD2 no hydrogen 2.998 N/A SER 155.A N.B ASP 153.A OD2 no hydrogen 2.998 N/A SER 155.A OG.A GLY 175.A O no hydrogen 3.409 N/A SER 155.A OG.B ASP 153.A OD2 no hydrogen 2.704 N/A LEU 157.A N GLY 154.A O no hydrogen 3.139 N/A LYS 158.A N SER 155.A O.A no hydrogen 3.238 N/A LYS 158.A N SER 155.A O.B no hydrogen 3.347 N/A GLY 159.A N PHE 180.A O no hydrogen 2.966 N/A VAL 160.A N LEU 157.A O no hydrogen 2.943 N/A LYS 161.A N VAL 131.A O no hydrogen 2.900 N/A LEU 163.A N VAL 183.A O no hydrogen 2.866 N/A HIS 164.A N VAL 133.A O no hydrogen 2.893 N/A ALA 165.A N LEU 185.A O no hydrogen 2.926 N/A ASP 166.A N.A GLU 169.A OE1 no hydrogen 2.947 N/A ASP 166.A N.B GLU 169.A OE1 no hydrogen 2.955 N/A LEU 167.A N SER 187.A O no hydrogen 2.673 N/A GLY 168.A N ASP 166.A OD1.B no hydrogen 2.694 N/A GLU 169.A N ASP 166.A O.A no hydrogen 3.031 N/A GLU 169.A N ASP 166.A O.B no hydrogen 2.774 N/A TYR 170.A N LEU 167.A O no hydrogen 3.337 N/A GLN 171.A NE2 GLY 168.A O no hydrogen 2.628 N/A TYR 172.A N GLU 169.A O no hydrogen 2.993 N/A LEU 173.A N TYR 170.A O no hydrogen 3.043 N/A GLN 174.A N ILE 152.A O no hydrogen 2.943 N/A SER 177.A OG GLU 179.A OE1 no hydrogen 2.811 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.887 N/A PHE 180.A N SER 177.A O no hydrogen 2.897 N/A VAL 181.A N PRO 178.A O no hydrogen 3.295 N/A ASP 182.A N VAL 160.A O no hydrogen 3.217 N/A VAL 183.A N LYS 161.A O no hydrogen 2.902 N/A LEU 184.A N PHE 196.A O no hydrogen 3.041 N/A LEU 185.A N LEU 163.A O no hydrogen 2.743 N/A LEU 186.A N LYS 194.A O no hydrogen 2.814 N/A SER 187.A N ALA 165.A O no hydrogen 2.908 N/A GLU 191.A N ASN 188.A O no hydrogen 2.984 N/A GLY 193.A N PHE 204.A O no hydrogen 2.820 N/A LYS 194.A N LEU 186.A O no hydrogen 2.982 N/A ALA 195.A N TYR 202.A O no hydrogen 2.925 N/A PHE 196.A N LEU 184.A O no hydrogen 2.793 N/A LEU 197.A N ARG 200.A O.A no hydrogen 2.942 N/A LEU 197.A N ARG 200.A O.B no hydrogen 2.948 N/A HIS 198.A N ASP 182.A O no hydrogen 2.818 N/A ARG 200.A N.A LEU 197.A O no hydrogen 2.851 N/A ARG 200.A N.B LEU 197.A O no hydrogen 2.824 N/A TYR 202.A N ALA 195.A O no hydrogen 2.650 N/A THR 203.A N LYS 271.A O no hydrogen 2.808 N/A PHE 204.A N GLY 193.A O no hydrogen 3.080 N/A GLU 205.A N GLU 269.A O no hydrogen 3.027 N/A VAL 209.A N VAL 207.A O no hydrogen 2.902 N/A SER 214.A N ASN 83.A OD1 no hydrogen 2.822 N/A SER 214.A OG ASN 83.A OD1 no hydrogen 3.114 N/A THR 215.A N GLU 213.A OE2 no hydrogen 2.979 N/A THR 215.A OG1 GLU 213.A OE2 no hydrogen 2.569 N/A ALA 217.A N SER 214.A O no hydrogen 2.993 N/A VAL 220.A N GLY 216.A O no hydrogen 2.900 N/A PHE 221.A N ALA 217.A O no hydrogen 2.857 N/A LEU 222.A N GLY 218.A O no hydrogen 3.036 N/A GLY 223.A N ASP 219.A O no hydrogen 2.991 N/A ALA 224.A N VAL 220.A O no hydrogen 2.764 N/A PHE 225.A N PHE 221.A O no hydrogen 2.814 N/A THR 226.A N LEU 222.A O no hydrogen 2.973 N/A THR 226.A OG1 LEU 222.A O no hydrogen 2.818 N/A GLY 227.A N GLY 223.A O no hydrogen 3.043 N/A PHE 228.A N ALA 224.A O no hydrogen 2.818 N/A TYR 229.A N PHE 225.A O no hydrogen 2.783 N/A SER 230.A N THR 226.A O no hydrogen 3.382 N/A SER 230.A OG GLY 227.A O no hydrogen 2.715 N/A GLN 231.A N PHE 228.A O no hydrogen 2.954 N/A CYS 232.A N PHE 228.A O no hydrogen 2.739 N/A ALA 237.A N PRO 233.A O no hydrogen 3.000 N/A LEU 238.A N PHE 234.A O no hydrogen 3.019 N/A LYS 239.A N VAL 235.A O no hydrogen 3.053 N/A ARG 240.A N GLN 236.A O no hydrogen 2.854 N/A ALA 241.A N ALA 237.A O no hydrogen 2.785 N/A ALA 242.A N LEU 238.A O no hydrogen 3.005 N/A ALA 243.A N LYS 239.A O no hydrogen 3.111 N/A PHE 244.A N ARG 240.A O no hydrogen 2.813 N/A THR 245.A N ALA 241.A O no hydrogen 2.978 N/A THR 245.A OG1 ALA 241.A O no hydrogen 2.774 N/A ALA 246.A N ALA 242.A O no hydrogen 2.997 N/A LEU 247.A N ALA 243.A O no hydrogen 3.021 N/A PHE 248.A N PHE 244.A O no hydrogen 2.901 N/A LEU 249.A N THR 245.A O no hydrogen 2.885 N/A LYS 250.A N ALA 246.A O no hydrogen 2.960 N/A ASN 251.A N LEU 247.A O no hydrogen 3.094 N/A ARG 252.A NH1 THR 215.A O no hydrogen 2.961 N/A ARG 252.A NH2 THR 215.A O no hydrogen 3.038 N/A ASP 255.A N SER 253.A OG no hydrogen 3.109 N/A ASP 260.A N SER 257.A OG no hydrogen 2.958 N/A VAL 261.A N SER 257.A O no hydrogen 3.290 N/A ASN 262.A N MET 258.A O no hydrogen 3.013 N/A GLU 263.A N ASP 259.A O no hydrogen 3.124 N/A LEU 264.A N.A ASP 260.A O no hydrogen 3.288 N/A LEU 264.A N.B ASP 260.A O no hydrogen 3.295 N/A ALA 265.A N VAL 261.A O no hydrogen 2.789 N/A LYS 267.A N LEU 264.A O.A no hydrogen 3.247 N/A LYS 267.A N LEU 264.A O.B no hydrogen 3.266 N/A VAL 268.A N ALA 265.A O no hydrogen 3.119 N/A LYS 271.A N THR 203.A O no hydrogen 2.974 N/A VAL 273.A N GLU 201.A O no hydrogen 2.981 N/A