Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mda_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N ASN 3.A O no hydrogen 3.018 N/A THR 7.A N ASN 3.A O no hydrogen 2.929 N/A THR 7.A OG1 ASN 3.A O no hydrogen 3.308 N/A GLU 8.A N LEU 4.A O no hydrogen 2.973 N/A LYS 9.A N ILE 6.A O no hydrogen 3.099 N/A LEU 10.A N ILE 6.A O no hydrogen 3.127 N/A GLU 11.A N THR 7.A O no hydrogen 2.822 N/A LEU 13.A N LYS 9.A O no hydrogen 3.371 N/A ALA 14.A N LEU 10.A O no hydrogen 2.762 N/A LYS 15.A N GLU 11.A O no hydrogen 2.962 N/A ALA 16.A N VAL 12.A O no hydrogen 3.095 N/A TYR 17.A N LEU 13.A O no hydrogen 2.953 N/A SER 18.A N ALA 14.A O no hydrogen 2.838 N/A VAL 19.A N LYS 15.A O no hydrogen 2.963 N/A GLN 20.A N ALA 16.A O no hydrogen 3.103 N/A GLY 21.A N SER 18.A O no hydrogen 3.028 N/A ASP 22.A N TYR 17.A O no hydrogen 2.991 N/A LYS 23.A N GLY 21.A O no hydrogen 2.801 N/A ARG 25.A N ASP 22.A OD1 no hydrogen 3.399 N/A ARG 25.A NE ASP 22.A OD2 no hydrogen 3.040 N/A ARG 25.A NH2 ASP 22.A OD2 no hydrogen 3.485 N/A ALA 26.A N ASP 22.A O no hydrogen 2.999 N/A LEU 27.A N LYS 23.A O no hydrogen 2.876 N/A GLY 28.A N TRP 24.A O no hydrogen 2.974 N/A TYR 29.A N ARG 25.A O no hydrogen 2.992 N/A ALA 30.A N ALA 26.A O no hydrogen 2.862 N/A LYS 31.A N LEU 27.A O no hydrogen 3.054 N/A ALA 32.A N GLY 28.A O no hydrogen 3.203 N/A ILE 33.A N TYR 29.A O no hydrogen 2.925 N/A ASN 34.A N ALA 30.A O no hydrogen 2.978 N/A ALA 35.A N LYS 31.A O no hydrogen 2.986 N/A LEU 36.A N ALA 32.A O no hydrogen 2.810 N/A LYS 37.A N ILE 33.A O no hydrogen 2.914 N/A LYS 37.A N ASN 34.A O no hydrogen 3.160 N/A LYS 37.A NZ GLU 11.A OE1 no hydrogen 3.416 N/A LYS 37.A NZ GLU 11.A OE2 no hydrogen 3.186 N/A SER 38.A N ASN 34.A O no hydrogen 3.224 N/A SER 38.A N ALA 35.A O no hydrogen 2.945 N/A SER 38.A OG ASN 34.A O no hydrogen 3.301 N/A LYS 41.A NZ PRO 42.A O no hydrogen 2.628 N/A THR 44.A N GLU 48.A OE1 no hydrogen 2.477 N/A GLN 47.A N SER 45.A OG no hydrogen 3.241 N/A ALA 49.A N TYR 46.A O no hydrogen 3.279 N/A CYS 50.A N TYR 46.A O no hydrogen 3.288 N/A CYS 50.A SG TYR 46.A O no hydrogen 3.305 N/A SER 51.A N GLN 47.A O no hydrogen 3.130 N/A ILE 52.A N ALA 49.A O no hydrogen 2.921 N/A ILE 55.A N ILE 52.A O no hydrogen 3.199 N/A ALA 60.A N GLY 56.A O no hydrogen 2.812 N/A GLU 61.A N LYS 57.A O no hydrogen 2.824 N/A LYS 62.A N ARG 58.A O no hydrogen 3.355 N/A ILE 63.A N MET 59.A O no hydrogen 3.044 N/A ILE 64.A N ALA 60.A O no hydrogen 2.883 N/A GLU 65.A N GLU 61.A O no hydrogen 3.119 N/A ILE 66.A N LYS 62.A O no hydrogen 3.075 N/A LEU 67.A N ILE 63.A O no hydrogen 3.234 N/A GLU 68.A N ILE 64.A O no hydrogen 3.160 N/A SER 69.A N GLU 65.A O no hydrogen 3.153 N/A SER 69.A OG GLU 65.A O no hydrogen 2.565 N/A HIS 71.A NE2 ASP 76.A OD2 no hydrogen 2.662 N/A ARG 73.A N GLU 65.A OE1 no hydrogen 2.845 N/A LEU 75.A N LEU 72.A O no hydrogen 2.990 N/A ASP 76.A N ARG 73.A O no hydrogen 3.090 N/A HIS 77.A N LYS 74.A O no hydrogen 2.887 N/A SER 79.A OG SER 81.A OG no hydrogen 2.774 N/A SER 81.A N SER 79.A OG no hydrogen 3.239 N/A SER 81.A OG SER 79.A OG no hydrogen 2.774 N/A VAL 82.A N SER 79.A O no hydrogen 3.155 N/A LEU 85.A N SER 81.A O no hydrogen 2.844 N/A GLU 86.A N VAL 82.A O no hydrogen 2.807 N/A LEU 87.A N PRO 83.A O no hydrogen 2.914 N/A PHE 88.A N VAL 84.A O no hydrogen 2.918 N/A SER 89.A N LEU 85.A O no hydrogen 2.954 N/A SER 89.A OG LEU 85.A O no hydrogen 3.093 N/A ASN 90.A N GLU 86.A O no hydrogen 3.129 N/A ILE 91.A N PHE 88.A O no hydrogen 2.988 N/A ALA 94.A N ILE 91.A O no hydrogen 3.057 N/A THR 96.A OG1 VAL 19.A O no hydrogen 2.825 N/A ALA 99.A N GLY 95.A O no hydrogen 2.996 N/A GLN 100.A N THR 96.A O no hydrogen 2.918 N/A GLN 100.A NE2 THR 96.A O no hydrogen 3.646 N/A MET 101.A N LYS 97.A O no hydrogen 2.989 N/A TRP 102.A N THR 98.A O no hydrogen 2.894 N/A TYR 103.A N ALA 99.A O no hydrogen 3.011 N/A GLN 104.A N GLN 100.A O no hydrogen 3.019 N/A GLN 105.A N MET 101.A O no hydrogen 2.987 N/A GLY 106.A N TYR 103.A O no hydrogen 2.959 N/A PHE 107.A N TRP 102.A O no hydrogen 3.145 N/A ARG 108.A N ASP 112.A OD1 no hydrogen 2.729 N/A ARG 108.A NH1 TYR 103.A O no hydrogen 2.956 N/A ARG 108.A NH1 PHE 107.A O no hydrogen 2.773 N/A ASP 112.A N SER 109.A OG no hydrogen 2.982 N/A ILE 113.A N SER 109.A O no hydrogen 3.032 N/A ARG 114.A N LEU 110.A O no hydrogen 2.683 N/A ARG 114.A NE GLU 111.A OE1 no hydrogen 2.935 N/A ARG 114.A NH2 GLU 111.A OE1 no hydrogen 3.528 N/A ARG 114.A NH2 GLU 111.A OE2 no hydrogen 2.606 N/A SER 115.A N GLU 111.A O no hydrogen 3.000 N/A SER 115.A OG GLU 111.A O no hydrogen 2.884 N/A GLN 116.A N ASP 112.A O no hydrogen 2.828 N/A ALA 117.A N ILE 113.A O no hydrogen 3.018 N/A THR 120.A N GLN 123.A OE1 no hydrogen 2.981 N/A GLN 122.A NE2 LEU 211.A O no hydrogen 2.981 N/A GLN 123.A N THR 120.A OG1 no hydrogen 2.984 N/A GLN 123.A NE2 GLY 93.A O no hydrogen 3.088 N/A ALA 124.A N THR 120.A O no hydrogen 2.943 N/A ILE 125.A N THR 121.A O no hydrogen 3.272 N/A GLY 126.A N GLN 122.A O no hydrogen 2.818 N/A LEU 127.A N GLN 123.A O no hydrogen 2.792 N/A LYS 128.A N ALA 124.A O no hydrogen 3.028 N/A LYS 128.A NZ HIS 129.A NE2 no hydrogen 3.537 N/A LYS 128.A NZ ASP 209.A OD1 no hydrogen 3.393 N/A LYS 128.A NZ ASP 209.A OD2 no hydrogen 2.432 N/A HIS 129.A N ILE 125.A O no hydrogen 3.112 N/A HIS 129.A N GLY 126.A O no hydrogen 3.235 N/A HIS 129.A NE2 ASP 209.A OD1 no hydrogen 3.007 N/A TYR 130.A N LEU 127.A O no hydrogen 3.085 N/A TYR 130.A OH LEU 87.A O no hydrogen 2.718 N/A PHE 133.A N HIS 129.A O no hydrogen 2.840 N/A LEU 134.A N SER 131.A O no hydrogen 2.931 N/A GLU 135.A N ASP 132.A O no hydrogen 2.987 N/A ARG 136.A NE THR 174.A OG1 no hydrogen 3.008 N/A ARG 136.A NH2 THR 174.A O no hydrogen 2.899 N/A MET 137.A N CYS 175.A O no hydrogen 2.777 N/A ARG 139.A N ALA 173.A O no hydrogen 2.802 N/A ARG 139.A NH1 TYR 168.A O no hydrogen 2.870 N/A ARG 139.A NH1 LYS 172.A O no hydrogen 2.911 N/A ARG 139.A NH2 TYR 168.A O no hydrogen 3.194 N/A GLU 141.A N PRO 138.A O no hydrogen 2.833 N/A ALA 142.A N PRO 138.A O no hydrogen 3.432 N/A THR 143.A N ARG 139.A O no hydrogen 2.918 N/A THR 143.A OG1 ARG 139.A O no hydrogen 3.337 N/A THR 143.A OG1 TYR 168.A OH no hydrogen 2.783 N/A GLU 144.A N GLU 140.A O no hydrogen 3.267 N/A ILE 145.A N GLU 141.A O no hydrogen 2.953 N/A GLU 146.A N ALA 142.A O no hydrogen 2.860 N/A GLN 147.A N THR 143.A O no hydrogen 2.946 N/A THR 148.A N GLU 144.A O no hydrogen 3.025 N/A THR 148.A OG1 GLU 144.A O no hydrogen 2.722 N/A VAL 149.A N ILE 145.A O no hydrogen 3.059 N/A GLN 150.A N GLU 146.A O no hydrogen 2.719 N/A GLN 150.A NE2 GLN 154.A OE1 no hydrogen 3.085 N/A LYS 151.A N GLN 147.A O no hydrogen 2.862 N/A ALA 152.A N THR 148.A O no hydrogen 3.271 N/A ALA 153.A N VAL 149.A O no hydrogen 2.906 N/A GLN 154.A N GLN 150.A O no hydrogen 2.793 N/A GLN 154.A NE2 LEU 160.A O no hydrogen 3.245 N/A PHE 156.A N ALA 153.A O no hydrogen 3.275 N/A ASN 157.A N ALA 153.A O no hydrogen 3.231 N/A GLY 159.A N ASN 157.A OD1 no hydrogen 2.626 N/A LEU 160.A N ASN 157.A O no hydrogen 3.044 N/A LEU 161.A N THR 183.A O no hydrogen 2.988 N/A VAL 163.A N LEU 181.A O no hydrogen 2.985 N/A CYS 165.A N ASP 179.A O no hydrogen 2.680 N/A CYS 165.A SG VAL 163.A O no hydrogen 3.580 N/A GLY 166.A N PHE 256.A O no hydrogen 2.790 N/A TYR 168.A OH THR 143.A OG1 no hydrogen 2.783 N/A ARG 169.A N CYS 165.A O no hydrogen 3.088 N/A ARG 169.A NH1 THR 257.A OG1 no hydrogen 2.811 N/A ARG 169.A NH1 GLU 306.A OE1 no hydrogen 2.970 N/A ARG 169.A NH1 GLU 306.A OE2 no hydrogen 3.449 N/A ARG 169.A NH2 GLU 306.A OE2 no hydrogen 2.802 N/A ARG 170.A N GLY 166.A O no hydrogen 3.063 N/A ARG 170.A NE ASP 324.A OD2 no hydrogen 2.883 N/A ARG 170.A NH1 THR 257.A O no hydrogen 2.822 N/A ARG 170.A NH2 ASP 324.A OD2 no hydrogen 3.121 N/A GLY 171.A N TYR 168.A O no hydrogen 2.975 N/A LYS 172.A N SER 167.A O no hydrogen 2.996 N/A LYS 172.A NZ ASP 324.A OD1 no hydrogen 3.330 N/A CYS 175.A N MET 137.A O no hydrogen 2.810 N/A CYS 175.A SG SER 167.A OG no hydrogen 3.712 N/A VAL 178.A N ARG 238.A O no hydrogen 3.081 N/A VAL 180.A N ASP 240.A O no hydrogen 2.722 N/A LEU 181.A N VAL 163.A O no hydrogen 2.829 N/A ILE 182.A N ILE 242.A O no hydrogen 2.808 N/A THR 183.A N LEU 161.A O no hydrogen 3.057 N/A THR 183.A OG1 VAL 244.A O no hydrogen 2.733 N/A ASP 186.A N HIS 184.A ND1 no hydrogen 3.071 N/A GLY 187.A N HIS 184.A O no hydrogen 2.931 N/A ARG 188.A N ASP 186.A OD1 no hydrogen 2.872 N/A SER 189.A N ASP 186.A OD1 no hydrogen 2.890 N/A SER 189.A OG ASP 186.A OD1 no hydrogen 3.489 N/A SER 189.A OG ASP 186.A OD2 no hydrogen 2.414 N/A ARG 191.A N ARG 188.A O no hydrogen 3.368 N/A ARG 191.A NH2 GLY 187.A O no hydrogen 3.569 N/A ARG 196.A NH2 GLY 192.A O no hydrogen 3.157 N/A LEU 197.A N ILE 193.A O no hydrogen 2.809 N/A LEU 198.A N PHE 194.A O no hydrogen 2.817 N/A ASP 199.A N SER 195.A O no hydrogen 3.383 N/A SER 200.A N ARG 196.A O no hydrogen 2.939 N/A LEU 201.A N LEU 197.A O no hydrogen 2.833 N/A ARG 202.A N LEU 198.A O no hydrogen 2.812 N/A ARG 202.A NH1 GLU 215.A OE1 no hydrogen 2.986 N/A ARG 202.A NH2 ASP 210.A OD2 no hydrogen 2.758 N/A ARG 202.A NH2 GLU 215.A OE1 no hydrogen 3.525 N/A ARG 202.A NH2 GLU 215.A OE2 no hydrogen 2.858 N/A GLN 203.A N ASP 199.A O no hydrogen 2.856 N/A GLU 204.A N SER 200.A O no hydrogen 3.385 N/A GLY 205.A N ARG 202.A O no hydrogen 2.973 N/A PHE 206.A N LEU 201.A O no hydrogen 3.090 N/A LEU 207.A N LEU 201.A O no hydrogen 3.440 N/A THR 208.A N VAL 226.A O no hydrogen 2.730 N/A THR 208.A OG1 ASP 209.A OD1 no hydrogen 2.809 N/A THR 208.A OG1 VAL 226.A O no hydrogen 3.241 N/A ASP 209.A N VAL 226.A O no hydrogen 3.438 N/A LEU 211.A N LEU 224.A O no hydrogen 2.862 N/A VAL 212.A N LEU 224.A O no hydrogen 2.930 N/A SER 213.A OG GLU 215.A OE2 no hydrogen 2.611 N/A GLN 219.A N ASN 217.A OD1 no hydrogen 2.660 N/A GLN 220.A N ASN 217.A O no hydrogen 3.384 N/A GLN 220.A NE2 SER 213.A OG no hydrogen 3.144 N/A GLN 220.A NE2 LYS 222.A O no hydrogen 2.821 N/A TYR 223.A N ILE 241.A O no hydrogen 2.675 N/A TYR 223.A OH ASP 210.A OD1 no hydrogen 2.731 N/A LEU 224.A N VAL 212.A O no hydrogen 2.809 N/A GLY 225.A N LEU 239.A O no hydrogen 2.868 N/A VAL 226.A N ASP 209.A O no hydrogen 2.869 N/A CYS 227.A N ARG 237.A O no hydrogen 2.819 N/A CYS 227.A SG ARG 237.A O no hydrogen 3.752 N/A ARG 228.A N PHE 206.A O no hydrogen 3.019 N/A ARG 234.A NE PRO 230.A O no hydrogen 3.439 N/A ARG 234.A NH1 GLU 144.A OE2 no hydrogen 3.400 N/A ARG 234.A NH2 GLU 144.A OE1 no hydrogen 2.934 N/A ARG 234.A NH2 GLU 144.A OE2 no hydrogen 3.497 N/A ARG 235.A NE ASP 132.A OD2 no hydrogen 2.997 N/A ARG 235.A NH2 ASP 132.A OD1 no hydrogen 3.450 N/A ARG 235.A NH2 ASP 132.A OD2 no hydrogen 3.101 N/A HIS 236.A N ASP 132.A OD1 no hydrogen 3.389 N/A ARG 237.A N CYS 227.A O no hydrogen 2.787 N/A ARG 237.A NE GLU 141.A OE1 no hydrogen 3.090 N/A ARG 237.A NE GLU 141.A OE2 no hydrogen 3.113 N/A ARG 237.A NH2 GLU 141.A OE1 no hydrogen 2.899 N/A LEU 239.A N GLY 225.A O no hydrogen 2.837 N/A ASP 240.A N VAL 178.A O no hydrogen 2.833 N/A ILE 241.A N TYR 223.A O no hydrogen 2.778 N/A ILE 242.A N VAL 180.A O no hydrogen 2.980 N/A VAL 243.A N GLN 221.A O no hydrogen 3.122 N/A VAL 244.A N ILE 182.A O no hydrogen 2.890 N/A GLU 248.A N PRO 245.A O no hydrogen 3.041 N/A PHE 249.A N TYR 246.A O no hydrogen 2.966 N/A CYS 251.A SG THR 303.A OG1 no hydrogen 3.589 N/A ALA 252.A N GLU 248.A O no hydrogen 2.881 N/A LEU 253.A N PHE 249.A O no hydrogen 2.867 N/A LEU 254.A N ALA 250.A O no hydrogen 2.938 N/A TYR 255.A N CYS 251.A O no hydrogen 2.980 N/A PHE 256.A N ALA 252.A O no hydrogen 2.860 N/A THR 257.A N LEU 253.A O no hydrogen 2.904 N/A THR 257.A N LEU 254.A O no hydrogen 3.272 N/A THR 257.A OG1 LEU 253.A O no hydrogen 2.780 N/A GLY 258.A N LEU 254.A O no hydrogen 3.233 N/A GLY 258.A N TYR 255.A O no hydrogen 3.208 N/A SER 259.A N ARG 323.A O no hydrogen 3.120 N/A SER 259.A OG ARG 323.A O no hydrogen 3.149 N/A SER 259.A OG TRP 325.A OXT no hydrogen 2.725 N/A PHE 262.A N SER 259.A OG no hydrogen 3.300 N/A ASN 263.A N SER 259.A O no hydrogen 2.954 N/A ASN 263.A ND2 TYR 255.A O no hydrogen 2.901 N/A ARG 264.A N ALA 260.A O no hydrogen 3.054 N/A SER 265.A N HIS 261.A O no hydrogen 2.892 N/A SER 265.A OG HIS 261.A O no hydrogen 2.705 N/A MET 266.A N PHE 262.A O no hydrogen 2.944 N/A ARG 267.A N ASN 263.A O no hydrogen 2.883 N/A ARG 267.A NH1 GLU 279.A OE1 no hydrogen 2.960 N/A ARG 267.A NH2 GLU 279.A OE1 no hydrogen 2.817 N/A ALA 268.A N ARG 264.A O no hydrogen 2.760 N/A LEU 269.A N SER 265.A O no hydrogen 2.867 N/A ALA 270.A N MET 266.A O no hydrogen 2.891 N/A LYS 271.A N ARG 267.A O no hydrogen 3.142 N/A LYS 271.A NZ GLY 292.A O no hydrogen 3.286 N/A THR 272.A N ALA 268.A O no hydrogen 3.274 N/A THR 272.A OG1 LEU 269.A O no hydrogen 2.424 N/A LYS 273.A N LEU 269.A O no hydrogen 3.288 N/A LYS 273.A N ALA 270.A O no hydrogen 3.087 N/A GLY 274.A N LYS 271.A O no hydrogen 2.917 N/A MET 275.A N ALA 270.A O no hydrogen 2.779 N/A SER 276.A N SER 283.A O no hydrogen 2.829 N/A SER 278.A N ALA 281.A O no hydrogen 2.970 N/A SER 278.A OG ALA 281.A O no hydrogen 3.563 N/A GLU 279.A N GLU 279.A OE1 no hydrogen 2.686 N/A HIS 280.A N SER 278.A OG no hydrogen 2.902 N/A HIS 280.A ND1 GLU 248.A OE1 no hydrogen 2.616 N/A ALA 281.A N SER 278.A OG no hydrogen 3.236 N/A SER 283.A N SER 276.A O no hydrogen 2.571 N/A THR 284.A N ARG 299.A O no hydrogen 2.827 N/A VAL 286.A N GLY 274.A O no hydrogen 3.041 N/A VAL 287.A N GLY 296.A O no hydrogen 2.850 N/A ARG 288.A NH1 MET 275.A O no hydrogen 3.059 N/A ARG 288.A NH2 MET 275.A O no hydrogen 3.044 N/A ASN 289.A N CYS 293.A O no hydrogen 2.995 N/A HIS 291.A N ASN 289.A OD1 no hydrogen 2.937 N/A CYS 293.A N ASN 289.A OD1 no hydrogen 2.716 N/A VAL 295.A N VAL 287.A O no hydrogen 2.732 N/A GLY 296.A N VAL 287.A O no hydrogen 2.738 N/A ARG 299.A N THR 284.A O no hydrogen 3.030 N/A LEU 301.A N LEU 282.A O no hydrogen 2.802 N/A THR 305.A N ASP 308.A OD2 no hydrogen 2.936 N/A THR 305.A OG1 ASP 308.A OD2 no hydrogen 2.924 N/A ASP 308.A N THR 305.A O no hydrogen 2.931 N/A ASP 308.A N THR 305.A OG1 no hydrogen 3.271 N/A VAL 309.A N GLU 306.A O no hydrogen 2.893 N/A PHE 310.A N GLU 306.A O no hydrogen 3.298 N/A ARG 311.A N LYS 307.A O no hydrogen 2.873 N/A ARG 311.A NH2 ASP 308.A OD1 no hydrogen 3.060 N/A LEU 312.A N ASP 308.A O no hydrogen 2.800 N/A LEU 313.A N VAL 309.A O no hydrogen 3.160 N/A LEU 313.A N PHE 310.A O no hydrogen 2.987 N/A GLY 314.A N ARG 311.A O no hydrogen 2.818 N/A LEU 315.A N PHE 310.A O no hydrogen 2.891 N/A GLU 322.A N GLU 319.A O no hydrogen 2.779 N/A ARG 323.A N PRO 320.A O no hydrogen 2.875 N/A ARG 323.A NE ARG 318.A O no hydrogen 3.023 N/A ARG 323.A NH1 GLU 306.A OE1 no hydrogen 2.706 N/A ARG 323.A NH2 GLU 306.A OE2 no hydrogen 2.880 N/A ARG 323.A NH2 ARG 318.A O no hydrogen 3.047 N/A TRP 325.A N ARG 323.A O no hydrogen 2.812 N/A TRP 325.A NE1 GLU 322.A O no hydrogen 3.068 N/A