Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mll_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 10.A N ALA 18.A O no hydrogen 2.763 N/A LEU 12.A N ASP 16.A O no hydrogen 2.780 N/A ASP 13.A N ASP 16.A O no hydrogen 3.040 N/A ASP 16.A N ASP 13.A O no hydrogen 3.178 N/A PHE 17.A N LEU 143.A O no hydrogen 3.120 N/A ALA 18.A N THR 10.A O no hydrogen 2.637 N/A LEU 19.A N VAL 141.A O no hydrogen 2.905 N/A ASP 20.A N PRO 8.A O no hydrogen 2.787 N/A ILE 21.A N VAL 139.A O no hydrogen 2.811 N/A ARG 22.A NE ASP 20.A OD2 no hydrogen 3.243 N/A ARG 22.A NH1 GLU 1.A O no hydrogen 2.792 N/A ARG 22.A NH1 CYS 136.A O no hydrogen 3.262 N/A ARG 22.A NH2 ASP 20.A OD2 no hydrogen 2.879 N/A MET 23.A N SER 137.A O no hydrogen 3.011 N/A GLY 25.A N MET 23.A O no hydrogen 2.820 N/A VAL 26.A N ASP 135.A O no hydrogen 2.967 N/A THR 27.A OG1 HIS 133.A O no hydrogen 3.087 N/A ASP 32.A N GLY 129.A O no hydrogen 3.223 N/A THR 33.A N TYR 128.A O no hydrogen 3.211 N/A THR 33.A OG1 GLU 30.A O no hydrogen 2.516 N/A PHE 35.A N VAL 126.A O no hydrogen 3.018 N/A CYS 36.A N TRP 79.A O no hydrogen 2.774 N/A MET 37.A N LEU 124.A O no hydrogen 3.034 N/A MET 39.A N PHE 122.A O no hydrogen 2.719 N/A LEU 41.A N LYS 120.A O no hydrogen 3.057 N/A ALA 47.A N VAL 113.A O no hydrogen 3.252 N/A PHE 48.A N THR 144.A O no hydrogen 2.717 N/A VAL 49.A N PHE 111.A O no hydrogen 2.796 N/A ILE 50.A N HIS 142.A O no hydrogen 2.802 N/A LYS 53.A N SER 140.A O no hydrogen 2.620 N/A LYS 53.A NZ ASP 51.A OD2 no hydrogen 3.454 N/A ARG 55.A N GLY 138.A O no hydrogen 2.707 N/A SER 57.A N SER 137.A OG no hydrogen 2.817 N/A SER 57.A OG ASP 135.A OD2 no hydrogen 3.066 N/A SER 57.A OG SER 137.A OG no hydrogen 2.898 N/A THR 60.A OG1 ASP 130.A O no hydrogen 3.112 N/A VAL 61.A N SER 57.A O no hydrogen 3.066 N/A HIS 62.A N HIS 127.A O no hydrogen 2.791 N/A HIS 62.A ND1 HIS 63.A ND1 no hydrogen 2.867 N/A HIS 62.A ND1 HIS 127.A ND1 no hydrogen 2.798 N/A HIS 63.A ND1 HIS 62.A ND1 no hydrogen 2.867 N/A MET 64.A N TRP 96.A O no hydrogen 2.808 N/A LEU 65.A N GLN 125.A O no hydrogen 2.847 N/A LEU 66.A N TYR 94.A O no hydrogen 2.745 N/A PHE 67.A N VAL 123.A O no hydrogen 2.822 N/A GLY 68.A N ASN 91.A O no hydrogen 2.663 N/A CYS 69.A N TYR 121.A O no hydrogen 3.096 N/A ASN 70.A N ASP 88.A OD2 no hydrogen 2.851 N/A MET 71.A N ASP 88.A OD1 no hydrogen 2.895 N/A SER 73.A N THR 85.A O no hydrogen 2.791 N/A GLY 76.A N SER 74.A OG no hydrogen 3.058 N/A TRP 79.A N CYS 36.A O no hydrogen 2.812 N/A TRP 79.A NE1 GLY 84.A O no hydrogen 2.592 N/A CYS 81.A N TYR 34.A O no hydrogen 3.065 N/A GLU 83.A N PHE 80.A O no hydrogen 2.889 N/A GLY 84.A N CYS 81.A O no hydrogen 2.806 N/A THR 87.A N MET 71.A O no hydrogen 2.681 N/A THR 87.A OG1 MET 71.A O no hydrogen 3.481 N/A ASN 91.A N GLY 68.A O no hydrogen 2.931 N/A ASN 91.A ND2 GLY 68.A O no hydrogen 3.661 N/A LEU 93.A N LEU 66.A O no hydrogen 2.731 N/A TYR 94.A N LEU 66.A O no hydrogen 3.267 N/A TRP 96.A N MET 64.A O no hydrogen 2.651 N/A ARG 98.A NE VAL 61.A O no hydrogen 3.433 N/A ARG 98.A NH2 VAL 61.A O no hydrogen 3.399 N/A ARG 104.A NH1 ASP 51.A OD2 no hydrogen 3.037 N/A GLY 110.A N LEU 150.A O no hydrogen 3.050 N/A PHE 111.A N VAL 49.A O no hydrogen 2.976 N/A ARG 112.A NE GLU 46.A OE2 no hydrogen 3.118 N/A ARG 112.A NH2 GLU 46.A OE2 no hydrogen 3.450 N/A VAL 113.A N ALA 47.A O no hydrogen 2.789 N/A GLY 114.A N SER 119.A O no hydrogen 2.931 N/A GLY 115.A N ASP 44.A O no hydrogen 2.966 N/A LYS 120.A N ASN 70.A OD1 no hydrogen 2.739 N/A LYS 120.A NZ ASP 44.A OD1 no hydrogen 3.207 N/A TYR 121.A N CYS 69.A O no hydrogen 2.828 N/A PHE 122.A N MET 39.A O no hydrogen 2.792 N/A VAL 123.A N PHE 67.A O no hydrogen 2.898 N/A LEU 124.A N MET 37.A O no hydrogen 2.750 N/A GLN 125.A N LEU 65.A O no hydrogen 2.968 N/A VAL 126.A N PHE 35.A O no hydrogen 2.836 N/A HIS 127.A N HIS 63.A O no hydrogen 2.897 N/A HIS 127.A ND1 HIS 62.A ND1 no hydrogen 2.798 N/A TYR 128.A N THR 33.A O no hydrogen 2.914 N/A TYR 128.A OH ASP 135.A OD1 no hydrogen 2.692 N/A GLY 129.A N THR 60.A O no hydrogen 3.183 N/A LYS 134.A NZ GLY 25.A O no hydrogen 2.912 N/A ASP 135.A N VAL 26.A O no hydrogen 2.673 N/A CYS 136.A SG MET 23.A O no hydrogen 3.435 N/A SER 137.A N ASP 135.A OD1 no hydrogen 2.990 N/A SER 137.A OG ARG 55.A O no hydrogen 3.480 N/A SER 137.A OG ASP 135.A OD1 no hydrogen 3.226 N/A SER 137.A OG ASP 135.A OD2 no hydrogen 3.312 N/A GLY 138.A N ARG 55.A O no hydrogen 3.247 N/A VAL 139.A N ILE 21.A O no hydrogen 2.869 N/A SER 140.A N LYS 53.A O no hydrogen 2.719 N/A SER 140.A OG ASP 20.A OD1 no hydrogen 2.687 N/A VAL 141.A N LEU 19.A O no hydrogen 2.915 N/A HIS 142.A N ASP 51.A O no hydrogen 2.651 N/A HIS 142.A NE2 ASP 16.A OD2 no hydrogen 2.718 N/A LEU 143.A N PHE 17.A O no hydrogen 2.981 N/A THR 144.A N PHE 48.A O no hydrogen 2.802 N/A THR 144.A OG1 SER 15.A O no hydrogen 3.272 N/A THR 144.A OG1 ASP 16.A OD1 no hydrogen 2.911 N/A THR 144.A OG1 ASP 16.A OD2 no hydrogen 3.150 N/A ARG 145.A N SER 15.A O no hydrogen 3.015 N/A VAL 146.A N THR 144.A OG1 no hydrogen 3.361 N/A GLN 148.A NE2 VAL 146.A O no hydrogen 3.187 N/A LEU 150.A N GLY 108.A O no hydrogen 2.914 N/A ILE 151.A N MET 273.A O no hydrogen 2.879 N/A ALA 152.A N GLY 110.A O no hydrogen 2.644 N/A GLY 153.A N TYR 271.A O no hydrogen 2.756 N/A MET 154.A N SER 280.A O no hydrogen 3.020 N/A TYR 155.A N ILE 269.A O no hydrogen 2.706 N/A LEU 156.A N MET 282.A O no hydrogen 2.690 N/A MET 157.A N LEU 267.A O no hydrogen 2.920 N/A MET 158.A N CYS 284.A O no hydrogen 3.053 N/A SER 159.A N CYS 265.A O no hydrogen 3.024 N/A ILE 164.A N THR 254.A O no hydrogen 2.685 N/A GLY 167.A N GLY 247.A O no hydrogen 2.986 N/A GLU 168.A N PRO 165.A O no hydrogen 3.342 N/A VAL 171.A N PHE 245.A O no hydrogen 2.774 N/A ALA 173.A N CYS 243.A O no hydrogen 2.753 N/A ILE 175.A N ALA 241.A O no hydrogen 2.931 N/A SER 176.A N LYS 286.A O no hydrogen 2.718 N/A SER 176.A OG ASN 287.A OD1 no hydrogen 3.038 N/A CYS 177.A N LEU 239.A O no hydrogen 3.093 N/A GLN 178.A NE2 GLY 236.A O no hydrogen 3.538 N/A TYR 179.A N ASP 237.A O no hydrogen 2.768 N/A TYR 179.A OH TYR 182.A O no hydrogen 2.667 N/A MET 184.A N VAL 233.A O no hydrogen 3.081 N/A HIS 185.A N TYR 272.A O no hydrogen 2.890 N/A VAL 186.A N VAL 231.A O no hydrogen 2.988 N/A PHE 187.A N MET 270.A O no hydrogen 3.014 N/A ALA 188.A N MET 270.A O no hydrogen 3.498 N/A TYR 189.A N TYR 225.A O no hydrogen 2.888 N/A ARG 190.A N TYR 268.A O no hydrogen 2.792 N/A ARG 190.A NE GLN 222.A O no hydrogen 2.775 N/A HIS 192.A N ASN 266.A O no hydrogen 2.716 N/A HIS 192.A ND1 GLN 222.A OE1 no hydrogen 2.656 N/A THR 193.A OG1 HIS 192.A O no hydrogen 3.446 N/A THR 193.A OG1 MET 264.A O no hydrogen 2.978 N/A HIS 194.A N GLU 263.A OE1 no hydrogen 2.744 N/A HIS 194.A ND1 ASP 262.A O no hydrogen 2.753 N/A LEU 196.A N GLU 263.A OE2 no hydrogen 3.004 N/A GLY 197.A N HIS 194.A O no hydrogen 3.471 N/A LYS 198.A N VAL 244.A O no hydrogen 2.773 N/A VAL 200.A N GLN 216.A O no hydrogen 2.915 N/A SER 201.A N ARG 242.A O no hydrogen 3.135 N/A GLY 202.A N GLY 214.A O no hydrogen 2.850 N/A TYR 203.A N ALA 240.A O no hydrogen 2.616 N/A TYR 203.A OH GLU 299.A OE2 no hydrogen 2.688 N/A ARG 204.A N THR 211.A O no hydrogen 2.802 N/A ARG 204.A NH1 ASP 232.A O no hydrogen 2.687 N/A VAL 205.A N ILE 238.A O no hydrogen 2.839 N/A ARG 206.A N GLN 209.A O no hydrogen 3.004 N/A ARG 206.A NE ASP 237.A OD1 no hydrogen 2.795 N/A ARG 206.A NE ASP 237.A OD2 no hydrogen 3.249 N/A ARG 206.A NH2 ASP 232.A OD2 no hydrogen 2.904 N/A ARG 206.A NH2 ASP 237.A OD2 no hydrogen 2.729 N/A GLN 209.A N ARG 206.A O no hydrogen 3.092 N/A TRP 210.A NE1 THR 295.A OG1 no hydrogen 3.099 N/A THR 211.A N ARG 204.A O no hydrogen 2.692 N/A ILE 213.A N GLY 202.A O no hydrogen 2.803 N/A GLY 214.A N GLY 202.A O no hydrogen 3.478 N/A ARG 215.A NE GLU 299.A O no hydrogen 2.878 N/A ARG 215.A NH2 GLU 299.A O no hydrogen 3.346 N/A ARG 215.A NH2 ILE 302.A O no hydrogen 3.171 N/A GLN 216.A N VAL 200.A O no hydrogen 2.850 N/A ASN 217.A N GLN 216.A OE1 no hydrogen 2.950 N/A GLN 219.A NE2 HIS 194.A O no hydrogen 2.881 N/A GLN 219.A NE2 GLY 197.A O no hydrogen 2.842 N/A LEU 220.A N ASN 217.A O no hydrogen 2.857 N/A GLN 222.A NE2 THR 193.A O no hydrogen 3.663 N/A GLN 222.A NE2 PRO 218.A O no hydrogen 2.746 N/A ALA 223.A N PRO 221.A O no hydrogen 2.901 N/A TYR 225.A N TYR 189.A O no hydrogen 2.796 N/A TYR 225.A OH PRO 221.A O no hydrogen 2.732 N/A VAL 227.A N PHE 187.A O no hydrogen 3.046 N/A HIS 229.A ND1 GLU 228.A OE1 no hydrogen 2.684 N/A VAL 231.A N VAL 186.A O no hydrogen 3.353 N/A VAL 233.A N MET 184.A O no hydrogen 3.046 N/A THR 234.A N ASP 237.A OD2 no hydrogen 2.845 N/A THR 234.A OG1 ASP 232.A OD2 no hydrogen 3.316 N/A GLY 236.A N TYR 179.A O no hydrogen 2.804 N/A ASP 237.A N THR 234.A O no hydrogen 2.764 N/A ILE 238.A N VAL 205.A O no hydrogen 3.007 N/A LEU 239.A N CYS 177.A O no hydrogen 2.850 N/A ALA 240.A N TYR 203.A O no hydrogen 2.938 N/A ALA 241.A N ILE 175.A O no hydrogen 2.867 N/A ARG 242.A N SER 201.A O no hydrogen 2.992 N/A ARG 242.A NE ASP 174.A OD1 no hydrogen 2.856 N/A ARG 242.A NH1 ASN 301.A OD1 no hydrogen 2.919 N/A ARG 242.A NH2 ASP 174.A OD1 no hydrogen 3.120 N/A ARG 242.A NH2 ASP 174.A OD2 no hydrogen 3.021 N/A CYS 243.A N ALA 173.A O no hydrogen 3.038 N/A VAL 244.A N VAL 199.A O no hydrogen 2.914 N/A PHE 245.A N VAL 171.A O no hydrogen 2.726 N/A THR 246.A N LEU 196.A O no hydrogen 3.060 N/A THR 246.A OG1 LYS 169.A O no hydrogen 3.410 N/A GLY 247.A N GLU 168.A O no hydrogen 2.590 N/A ARG 250.A N GLY 247.A O no hydrogen 3.007 N/A ARG 250.A NH1 SER 261.A O no hydrogen 3.243 N/A THR 254.A N ILE 164.A O no hydrogen 2.743 N/A HIS 255.A ND1 ILE 256.A O no hydrogen 3.067 N/A GLY 257.A N GLU 263.A O no hydrogen 3.108 N/A THR 259.A OG1 SER 261.A OG no hydrogen 3.146 N/A SER 261.A OG THR 259.A OG1 no hydrogen 3.146 N/A ASP 262.A N THR 259.A O no hydrogen 3.132 N/A GLU 263.A N HIS 255.A O no hydrogen 2.839 N/A MET 264.A N GLU 263.A OE1 no hydrogen 3.253 N/A ASN 266.A N HIS 192.A O no hydrogen 2.847 N/A LEU 267.A N MET 157.A O no hydrogen 2.749 N/A TYR 268.A N ARG 190.A O no hydrogen 2.890 N/A ILE 269.A N TYR 155.A O no hydrogen 2.904 N/A MET 270.A N ALA 188.A O no hydrogen 3.118 N/A TYR 271.A N GLY 153.A O no hydrogen 2.938 N/A TYR 271.A OH LEU 279.A O no hydrogen 2.685 N/A TYR 272.A N HIS 185.A O no hydrogen 2.935 N/A MET 273.A N ILE 151.A O no hydrogen 2.882 N/A ALA 275.A N PRO 149.A O no hydrogen 3.203 N/A TYR 277.A N GLU 274.A O no hydrogen 2.745 N/A ALA 278.A N GLU 274.A O no hydrogen 2.605 N/A MET 282.A N MET 154.A O no hydrogen 2.851 N/A CYS 284.A N LEU 156.A O no hydrogen 2.742 N/A CYS 284.A SG LYS 286.A O no hydrogen 3.491 N/A VAL 288.A N SER 176.A O no hydrogen 2.926 N/A ALA 289.A N SER 176.A OG no hydrogen 2.775 N/A PHE 293.A N PRO 290.A O no hydrogen 3.015 N/A ARG 294.A NE ASP 291.A O no hydrogen 3.136 N/A THR 295.A N MET 292.A O no hydrogen 3.205 N/A THR 295.A OG1 MET 292.A O no hydrogen 3.094 N/A ILE 296.A N PHE 293.A O no hydrogen 3.441 N/A ALA 300.A N PRO 297.A O no hydrogen 3.128 N/A ASN 301.A N ALA 298.A O no hydrogen 3.133 N/A