Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dg3_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N SER 1.A O no hydrogen 3.055 N/A LEU 6.A N VAL 2.A O no hydrogen 2.871 N/A ALA 7.A N LYS 3.A O no hydrogen 2.879 N/A LYS 8.A N GLU 4.A O no hydrogen 3.198 N/A ALA 9.A N PHE 5.A O no hydrogen 2.937 N/A LYS 10.A N LEU 6.A O no hydrogen 2.920 N/A GLU 11.A N ALA 7.A O no hydrogen 3.214 N/A ASP 12.A N LYS 8.A O no hydrogen 3.060 N/A PHE 13.A N ALA 9.A O no hydrogen 2.904 N/A LEU 14.A N LYS 10.A O no hydrogen 2.849 N/A LYS 15.A N GLU 11.A O no hydrogen 3.331 N/A TRP 17.A N PHE 13.A O no hydrogen 2.776 N/A GLU 18.A N LEU 14.A O no hydrogen 2.862 N/A THR 19.A N LYS 15.A O no hydrogen 3.198 N/A SER 21.A N GLN 83.A OE1 no hydrogen 2.921 N/A SER 21.A OG GLN 83.A OE1 no hydrogen 3.389 N/A GLN 22.A NE2 THR 333.A O no hydrogen 3.201 N/A GLN 22.A NE2 PHE 335.A OXT no hydrogen 3.115 N/A THR 24.A N SER 96.A O no hydrogen 2.926 N/A THR 24.A OG1 SER 96.A O no hydrogen 3.496 N/A GLN 26.A N GLN 29.A OE1 no hydrogen 3.056 N/A GLN 26.A NE2 ASP 28.A OD1 no hydrogen 2.754 N/A GLN 29.A N GLN 26.A O no hydrogen 3.099 N/A PHE 30.A N LEU 27.A O no hydrogen 3.216 N/A ASP 31.A N LYS 48.A O no hydrogen 2.831 N/A ILE 33.A N LEU 46.A O no hydrogen 2.858 N/A LYS 34.A N LEU 46.A O no hydrogen 3.433 N/A LYS 34.A NZ ASP 314.A OD1 no hydrogen 3.083 N/A THR 35.A N GLU 317.A OE2 no hydrogen 2.849 N/A THR 35.A OG1 GLU 317.A OE1 no hydrogen 2.545 N/A LEU 36.A N VAL 44.A O no hydrogen 2.700 N/A GLY 37.A N VAL 44.A O no hydrogen 3.315 N/A GLY 39.A N GLY 42.A O no hydrogen 3.077 N/A ARG 43.A N ILE 60.A O no hydrogen 3.144 N/A ARG 43.A NH1 THR 35.A OG1 no hydrogen 2.857 N/A ARG 43.A NH1 GLU 316.A O no hydrogen 3.047 N/A ARG 43.A NH2 GLU 318.A OE1 no hydrogen 3.443 N/A VAL 44.A N GLY 37.A O no hydrogen 2.877 N/A MET 45.A N MET 58.A O no hydrogen 2.826 N/A LEU 46.A N LYS 34.A O no hydrogen 2.727 N/A VAL 47.A N TYR 56.A O no hydrogen 2.902 N/A LYS 48.A N ASP 31.A O no hydrogen 2.824 N/A HIS 49.A N ASN 54.A O no hydrogen 2.729 N/A LYS 50.A N GLN 29.A O no hydrogen 2.931 N/A LYS 50.A NZ ASP 28.A O no hydrogen 2.908 N/A GLY 53.A N HIS 49.A O no hydrogen 2.813 N/A ASN 54.A N SER 52.A OG no hydrogen 3.136 N/A ASN 54.A ND2 TYR 56.A OH no hydrogen 3.150 N/A TYR 56.A N VAL 47.A O no hydrogen 2.896 N/A ALA 57.A N MET 107.A O no hydrogen 2.857 N/A MET 58.A N MET 45.A O no hydrogen 2.732 N/A LYS 59.A N MET 105.A O no hydrogen 2.774 N/A LYS 59.A NZ GLU 78.A OE2 no hydrogen 2.695 N/A ILE 60.A N ARG 43.A O no hydrogen 2.681 N/A LEU 61.A N LEU 103.A O no hydrogen 2.920 N/A LYS 63.A N SER 101.A O no hydrogen 2.974 N/A LYS 63.A NZ ASP 99.A O no hydrogen 2.786 N/A LYS 63.A NZ ASN 100.A O no hydrogen 3.249 N/A LYS 63.A NZ LYS 327.A O no hydrogen 2.815 N/A LYS 65.A N ASP 62.A OD1 no hydrogen 3.231 N/A VAL 66.A N ASP 62.A O no hydrogen 2.972 N/A VAL 67.A N LYS 63.A O no hydrogen 3.009 N/A LYS 68.A N GLN 64.A O no hydrogen 3.046 N/A LEU 69.A N LYS 65.A O no hydrogen 3.023 N/A LYS 70.A N VAL 67.A O no hydrogen 3.076 N/A GLN 71.A N VAL 66.A O no hydrogen 2.921 N/A GLN 71.A NE2 LEU 69.A O no hydrogen 2.985 N/A HIS 74.A ND1 GLN 71.A OE1 no hydrogen 2.799 N/A THR 75.A N GLN 71.A O no hydrogen 2.926 N/A THR 75.A OG1 GLN 71.A O no hydrogen 2.946 N/A LEU 76.A N ILE 72.A O no hydrogen 3.014 N/A ASN 77.A N GLU 73.A O no hydrogen 2.864 N/A GLU 78.A N HIS 74.A O no hydrogen 2.786 N/A LYS 79.A N THR 75.A O no hydrogen 3.174 N/A LYS 79.A NZ SER 21.A O no hydrogen 2.893 N/A LYS 79.A NZ PHE 335.A O no hydrogen 2.798 N/A ARG 80.A N LEU 76.A O no hydrogen 2.990 N/A ARG 80.A NE TRP 17.A O no hydrogen 2.963 N/A ARG 80.A NH2 TRP 17.A O no hydrogen 2.971 N/A ILE 81.A N ASN 77.A O no hydrogen 2.903 N/A LEU 82.A N GLU 78.A O no hydrogen 3.009 N/A GLN 83.A N LYS 79.A O no hydrogen 3.004 N/A GLN 83.A NE2 LYS 16.A O no hydrogen 2.897 N/A GLN 83.A NE2 ARG 80.A O no hydrogen 2.828 N/A ALA 84.A N ILE 81.A O no hydrogen 2.942 N/A VAL 85.A N ILE 81.A O no hydrogen 3.144 N/A ASN 86.A N TYR 142.A OH no hydrogen 2.885 N/A LEU 90.A N PHE 87.A O no hydrogen 3.104 N/A VAL 91.A N VAL 168.A O no hydrogen 3.014 N/A GLU 94.A N VAL 106.A O no hydrogen 2.715 N/A PHE 95.A N VAL 106.A O no hydrogen 3.162 N/A SER 96.A N THR 24.A OG1 no hydrogen 3.123 N/A PHE 97.A N TYR 104.A O no hydrogen 3.192 N/A LYS 98.A NZ PHE 332.A O no hydrogen 2.791 N/A LYS 98.A NZ PHE 335.A OXT no hydrogen 2.944 N/A ASP 99.A N ASN 102.A O no hydrogen 3.002 N/A SER 101.A N ASP 99.A OD1 no hydrogen 3.001 N/A ASN 102.A N ASP 99.A OD1 no hydrogen 2.785 N/A ASN 102.A ND2 TYR 104.A OH no hydrogen 2.976 N/A ASN 102.A ND2 ALA 321.A O no hydrogen 3.076 N/A LEU 103.A N LEU 61.A O no hydrogen 2.780 N/A TYR 104.A N PHE 97.A O no hydrogen 2.842 N/A TYR 104.A OH ASP 99.A OD2 no hydrogen 2.757 N/A MET 105.A N LYS 59.A O no hydrogen 3.051 N/A VAL 106.A N PHE 95.A O no hydrogen 2.800 N/A MET 107.A N ALA 57.A O no hydrogen 2.731 N/A GLU 108.A N LYS 92.A O no hydrogen 2.961 N/A TYR 109.A OH ASP 308.A O no hydrogen 2.609 N/A MET 115.A N LEU 158.A O no hydrogen 2.751 N/A PHE 116.A N PRO 155.A O no hydrogen 3.242 N/A SER 117.A N GLU 114.A O no hydrogen 3.263 N/A SER 117.A OG GLU 114.A O no hydrogen 3.097 N/A HIS 118.A NE2 GLY 112.A O no hydrogen 2.706 N/A LEU 119.A N MET 115.A O no hydrogen 2.833 N/A ARG 120.A N PHE 116.A O no hydrogen 2.945 N/A ARG 120.A NH1 GLU 215.A OE2 no hydrogen 2.965 N/A ARG 120.A NH2 GLU 215.A OE2 no hydrogen 2.925 N/A ARG 121.A N SER 117.A O no hydrogen 3.072 N/A ARG 121.A NH1 HIS 118.A ND1 no hydrogen 3.433 N/A ARG 121.A NH2 HIS 118.A ND1 no hydrogen 3.013 N/A ILE 122.A N HIS 118.A O no hydrogen 2.953 N/A GLY 123.A N LEU 119.A O no hydrogen 2.934 N/A PHE 125.A N MET 216.A O no hydrogen 2.840 N/A HIS 128.A NE2 TYR 132.A OH no hydrogen 2.968 N/A ARG 130.A N GLU 126.A O no hydrogen 2.897 N/A ARG 130.A NH1 TRP 281.A O no hydrogen 2.845 N/A PHE 131.A N PRO 127.A O no hydrogen 3.003 N/A TYR 132.A N HIS 128.A O no hydrogen 3.408 N/A TYR 132.A OH HIS 128.A NE2 no hydrogen 2.968 N/A ALA 133.A N ALA 129.A O no hydrogen 2.854 N/A ALA 134.A N ARG 130.A O no hydrogen 2.843 N/A GLN 135.A NE2 PHE 131.A O no hydrogen 3.064 N/A ILE 136.A N TYR 132.A O no hydrogen 3.244 N/A VAL 137.A N ALA 133.A O no hydrogen 2.964 N/A LEU 138.A N ALA 134.A O no hydrogen 3.082 N/A THR 139.A N GLN 135.A O no hydrogen 2.978 N/A THR 139.A OG1 GLN 135.A O no hydrogen 2.656 N/A PHE 140.A N ILE 136.A O no hydrogen 2.806 N/A GLU 141.A N VAL 137.A O no hydrogen 2.921 N/A TYR 142.A N LEU 138.A O no hydrogen 3.027 N/A LEU 143.A N THR 139.A O no hydrogen 2.848 N/A HIS 144.A N PHE 140.A O no hydrogen 2.761 N/A HIS 144.A NE2 ASP 205.A OD2 no hydrogen 2.788 N/A SER 145.A N GLU 141.A O no hydrogen 3.178 N/A SER 145.A OG TYR 142.A O no hydrogen 2.761 N/A LEU 146.A N LEU 143.A O no hydrogen 2.952 N/A ASP 147.A N HIS 144.A O no hydrogen 2.965 N/A LEU 148.A N LEU 143.A O no hydrogen 3.073 N/A ILE 149.A N LYS 175.A O no hydrogen 2.882 N/A TYR 150.A N ASP 205.A OD2 no hydrogen 2.834 N/A TYR 150.A OH THR 169.A O no hydrogen 2.624 N/A TYR 150.A OH ASP 170.A O no hydrogen 3.238 N/A ARG 151.A N ASP 205.A OD1 no hydrogen 2.859 N/A ARG 151.A NE PHE 173.A O no hydrogen 2.766 N/A ARG 151.A NH1 TYR 200.A OH no hydrogen 2.825 N/A ARG 151.A NH2 PHE 173.A O no hydrogen 2.996 N/A LYS 154.A NZ ASP 152.A OD2 no hydrogen 3.544 N/A LYS 154.A NZ THR 186.A OG1 no hydrogen 2.859 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.717 N/A ASN 157.A N LYS 154.A O no hydrogen 3.018 N/A ASN 157.A ND2 ASP 152.A O no hydrogen 2.785 N/A ASN 157.A ND2 ASP 152.A OD2 no hydrogen 2.937 N/A LEU 158.A N PRO 155.A O no hydrogen 3.270 N/A LEU 159.A N GLN 167.A O no hydrogen 2.843 N/A ILE 160.A N GLY 113.A O no hydrogen 2.934 N/A ASP 161.A N TYR 165.A O no hydrogen 2.810 N/A GLN 163.A N ASP 161.A OD1 no hydrogen 2.948 N/A GLY 164.A N ASP 161.A O no hydrogen 2.945 N/A TYR 165.A N ASP 161.A OD1 no hydrogen 2.804 N/A TYR 165.A OH VAL 295.A O no hydrogen 2.643 N/A ILE 166.A N GLN 135.A OE1 no hydrogen 2.754 N/A GLN 167.A N LEU 159.A O no hydrogen 2.763 N/A GLN 167.A NE2 LEU 90.A O no hydrogen 3.671 N/A VAL 168.A N PHE 89.A O no hydrogen 2.723 N/A THR 169.A N ASN 157.A O no hydrogen 2.959 N/A GLY 172.A N ASP 170.A OD1 no hydrogen 3.135 N/A ALA 174.A N PHE 171.A O no hydrogen 3.071 N/A LYS 175.A N ILE 149.A O no hydrogen 3.040 N/A ARG 176.A NE LEU 146.A O no hydrogen 3.042 N/A VAL 177.A N ASP 147.A O no hydrogen 2.871 N/A THR 181.A N TYR 200.A O no hydrogen 2.951 N/A THR 186.A OG1 ASP 152.A OD1 no hydrogen 2.661 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.766 N/A TYR 189.A N THR 186.A O no hydrogen 2.812 N/A TYR 189.A OH GLU 215.A OE1 no hydrogen 2.673 N/A LEU 190.A N PRO 187.A O no hydrogen 3.266 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.778 N/A ILE 194.A N ALA 191.A O no hydrogen 3.005 N/A ILE 195.A N ALA 191.A O no hydrogen 3.344 N/A LEU 196.A N PRO 192.A O no hydrogen 2.917 N/A SER 197.A N ILE 194.A O no hydrogen 3.161 N/A LYS 198.A N GLU 193.A O no hydrogen 3.123 N/A TYR 200.A N THR 181.A O no hydrogen 2.903 N/A ALA 203.A N ASN 201.A OD1 no hydrogen 2.958 N/A VAL 204.A N ASN 201.A O no hydrogen 3.094 N/A ASP 205.A N LYS 202.A O no hydrogen 2.986 N/A TRP 207.A N ALA 203.A O no hydrogen 3.073 N/A ALA 208.A N VAL 204.A O no hydrogen 2.977 N/A LEU 209.A N ASP 205.A O no hydrogen 2.904 N/A GLY 210.A N TRP 206.A O no hydrogen 3.134 N/A VAL 211.A N TRP 207.A O no hydrogen 3.127 N/A LEU 212.A N ALA 208.A O no hydrogen 2.900 N/A ILE 213.A N LEU 209.A O no hydrogen 2.882 N/A TYR 214.A N GLY 210.A O no hydrogen 3.037 N/A TYR 214.A OH ARG 241.A O no hydrogen 2.555 N/A GLU 215.A N VAL 211.A O no hydrogen 2.867 N/A MET 216.A N LEU 212.A O no hydrogen 2.860 N/A ALA 217.A N ILE 213.A O no hydrogen 2.955 N/A ALA 218.A N TYR 214.A O no hydrogen 2.742 N/A GLY 219.A N GLU 215.A O no hydrogen 2.843 N/A GLN 227.A N GLN 230.A OE1 no hydrogen 2.898 N/A GLN 230.A N GLN 227.A O no hydrogen 2.985 N/A ILE 231.A N GLN 227.A O no hydrogen 3.216 N/A TYR 232.A N PRO 228.A O no hydrogen 2.861 N/A GLU 233.A N ILE 229.A O no hydrogen 3.199 N/A LYS 234.A N GLN 230.A O no hydrogen 3.348 N/A LYS 234.A NZ PHE 224.A O no hydrogen 2.587 N/A ILE 235.A N ILE 231.A O no hydrogen 2.947 N/A VAL 236.A N TYR 232.A O no hydrogen 2.935 N/A SER 237.A N GLU 233.A O no hydrogen 2.962 N/A GLY 238.A N ILE 235.A O no hydrogen 3.143 N/A PHE 246.A N PRO 243.A O no hydrogen 3.127 N/A SER 247.A N GLU 126.A OE2 no hydrogen 2.738 N/A SER 247.A OG GLU 126.A OE1 no hydrogen 2.607 N/A SER 247.A OG GLU 126.A OE2 no hydrogen 3.290 N/A LEU 250.A N SER 247.A OG no hydrogen 3.112 N/A LYS 251.A N SER 247.A O no hydrogen 3.065 N/A ASP 252.A N SER 248.A O no hydrogen 3.108 N/A LEU 253.A N ASP 249.A O no hydrogen 3.034 N/A LEU 254.A N LEU 250.A O no hydrogen 2.969 N/A ARG 255.A N LYS 251.A O no hydrogen 2.874 N/A ASN 256.A N ASP 252.A O no hydrogen 3.211 N/A ASN 256.A N LEU 253.A O no hydrogen 3.065 N/A LEU 257.A N LEU 253.A O no hydrogen 2.969 N/A LEU 257.A N LEU 254.A O no hydrogen 3.260 N/A LEU 258.A N LEU 254.A O no hydrogen 2.738 N/A ASP 261.A N GLN 259.A OE1 no hydrogen 2.946 N/A THR 263.A N ASP 261.A OD1 no hydrogen 3.037 N/A THR 263.A OG1 ASP 261.A OD1 no hydrogen 2.825 N/A LYS 264.A N ASP 261.A O no hydrogen 2.898 N/A ARG 265.A NE GLN 259.A O no hydrogen 2.742 N/A ARG 265.A NH1 GLU 193.A OE2 no hydrogen 2.779 N/A ARG 265.A NH1 ALA 203.A O no hydrogen 2.993 N/A ARG 265.A NH2 GLU 193.A OE1 no hydrogen 2.970 N/A ARG 265.A NH2 GLU 193.A OE2 no hydrogen 3.398 N/A ARG 265.A NH2 GLN 259.A O no hydrogen 3.047 N/A PHE 266.A N ASN 256.A O no hydrogen 2.836 N/A ASN 268.A N ARG 265.A O no hydrogen 3.108 N/A GLY 272.A N LEU 269.A O no hydrogen 2.937 N/A ASN 274.A N ASN 271.A O no hydrogen 3.279 N/A ASP 275.A N GLY 272.A O no hydrogen 3.439 N/A ILE 276.A N VAL 273.A O no hydrogen 3.097 N/A LYS 277.A N VAL 273.A O no hydrogen 3.034 N/A LYS 277.A NZ GLU 141.A OE1 no hydrogen 2.645 N/A LYS 277.A NZ GLU 141.A OE2 no hydrogen 3.375 N/A ASN 278.A N ASN 274.A O no hydrogen 2.845 N/A HIS 279.A N ILE 276.A O no hydrogen 3.079 N/A HIS 279.A NE2 ASP 252.A OD2 no hydrogen 2.709 N/A TRP 281.A N HIS 279.A ND1 no hydrogen 3.010 N/A TRP 281.A NE1 GLU 126.A OE1 no hydrogen 2.955 N/A PHE 282.A N HIS 279.A O no hydrogen 2.963 N/A ALA 283.A N LYS 280.A O no hydrogen 3.144 N/A THR 285.A N PHE 282.A O no hydrogen 2.773 N/A ALA 289.A N ASP 286.A OD1 no hydrogen 3.306 N/A ILE 290.A N ASP 286.A O no hydrogen 2.999 N/A TYR 291.A N TRP 287.A O no hydrogen 3.117 N/A GLN 292.A N ILE 288.A O no hydrogen 2.898 N/A ARG 293.A N ILE 290.A O no hydrogen 2.976 N/A ARG 293.A NH1 ASP 161.A OD2 no hydrogen 2.879 N/A ARG 293.A NH2 PRO 88.A O no hydrogen 2.935 N/A ARG 293.A NH2 ASP 161.A OD2 no hydrogen 2.797 N/A LYS 294.A N ALA 289.A O no hydrogen 2.891 N/A LYS 294.A NZ GLN 292.A OE1 no hydrogen 3.262 N/A ASP 308.A N GLY 305.A O no hydrogen 3.093 N/A SER 310.A N ASP 308.A OD2 no hydrogen 3.336 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.980 N/A SER 310.A OG ASP 308.A OD2 no hydrogen 3.103 N/A ASN 311.A ND2 ALA 111.A O no hydrogen 3.061 N/A ASN 311.A ND2 LYS 302.A O no hydrogen 2.965 N/A PHE 312.A N THR 309.A O no hydrogen 2.857 N/A SER 323.A OG ASN 325.A O no hydrogen 2.760 N/A LYS 327.A N ASN 100.A O no hydrogen 2.887 N/A GLU 331.A N GLU 331.A OE1 no hydrogen 2.774 N/A THR 333.A N LYS 330.A O no hydrogen 3.500 N/A THR 333.A OG1 LYS 330.A O no hydrogen 3.484 N/A PHE 335.A N PHE 332.A O no hydrogen 3.010 N/A