Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n4v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N LYS 49.A O no hydrogen 3.078 N/A TYR 4.A OH PRO 48.A O no hydrogen 2.508 N/A THR 5.A N GLN 8.A OE1 no hydrogen 2.754 N/A GLN 8.A N THR 5.A OG1 no hydrogen 3.298 N/A VAL 9.A N THR 5.A O no hydrogen 3.242 N/A GLU 10.A N PHE 6.A O no hydrogen 2.983 N/A LYS 11.A N ASP 7.A O no hydrogen 2.964 N/A ALA 12.A N GLN 8.A O no hydrogen 3.160 N/A ILE 13.A N VAL 9.A O no hydrogen 3.293 N/A GLU 14.A N GLU 10.A O no hydrogen 3.138 N/A GLN 15.A N LYS 11.A O no hydrogen 3.019 N/A TYR 17.A N ILE 13.A O no hydrogen 2.753 N/A TYR 17.A N GLU 14.A O no hydrogen 2.894 N/A TYR 17.A OH THR 81.A O no hydrogen 3.340 N/A PHE 20.A N TYR 17.A O no hydrogen 3.078 N/A ASN 23.A N ASN 40.A OD1 no hydrogen 2.688 N/A THR 24.A N ASN 40.A OD1 no hydrogen 3.105 N/A GLU 26.A N GLU 38.A O no hydrogen 3.103 N/A SER 28.A N ALA 36.A O no hydrogen 2.622 N/A GLY 29.A N ALA 36.A O no hydrogen 3.360 N/A GLY 31.A N CYS 34.A O no hydrogen 2.981 N/A CYS 34.A SG.B ASP 33.A OD1 no hydrogen 3.500 N/A ILE 35.A N PHE 47.A O no hydrogen 2.856 N/A ALA 36.A N GLY 29.A O no hydrogen 3.000 N/A TYR 37.A N PHE 45.A O no hydrogen 2.831 N/A GLU 38.A N GLU 26.A O no hydrogen 2.708 N/A ILE 39.A N PHE 43.A O no hydrogen 2.993 N/A ASN 40.A N THR 24.A O no hydrogen 2.744 N/A ASN 40.A ND2 THR 21.A O no hydrogen 2.800 N/A ARG 41.A NH1 GLU 26.A OE2 no hydrogen 3.303 N/A ASP 42.A N ILE 39.A O no hydrogen 3.156 N/A PHE 43.A N ILE 39.A O no hydrogen 3.130 N/A ILE 44.A N PHE 95.A O no hydrogen 2.761 N/A PHE 45.A N TYR 37.A O no hydrogen 2.946 N/A LYS 46.A N ALA 93.A O no hydrogen 2.840 N/A LYS 46.A NZ GLU 60.A OE1 no hydrogen 3.173 N/A LYS 46.A NZ GLU 60.A OE2 no hydrogen 3.171 N/A LYS 46.A NZ ASP 217.A OD1 no hydrogen 2.808 N/A PHE 47.A N ILE 35.A O no hydrogen 2.903 N/A LYS 49.A N ASP 33.A O no hydrogen 2.705 N/A LYS 49.A NZ GLU 30.A OE2 no hydrogen 3.044 N/A LYS 49.A NZ GLY 31.A O no hydrogen 2.559 N/A HIS 50.A NE2 ASN 32.A O no hydrogen 2.986 N/A GLY 53.A N HIS 50.A ND1 no hydrogen 2.952 N/A SER 54.A N HIS 50.A O no hydrogen 2.968 N/A THR 55.A N SER 51.A O no hydrogen 2.929 N/A THR 55.A OG1 GLN 89.A OE1 no hydrogen 3.104 N/A ASN 56.A N ARG 52.A O no hydrogen 2.986 N/A LEU 57.A N GLY 53.A O no hydrogen 2.858 N/A PHE 58.A N SER 54.A O no hydrogen 2.835 N/A ASN 59.A N THR 55.A O no hydrogen 2.827 N/A ASN 59.A ND2.A ASN 141.A OD1 no hydrogen 3.693 N/A ASN 59.A ND2.B ALA 221.A O no hydrogen 3.333 N/A GLU 60.A N ASN 56.A O no hydrogen 2.753 N/A VAL 61.A N LEU 57.A O no hydrogen 3.143 N/A ASN 62.A N PHE 58.A O no hydrogen 3.100 N/A ILE 63.A N ASN 59.A O no hydrogen 2.973 N/A LEU 64.A N GLU 60.A O no hydrogen 2.853 N/A LYS 65.A N VAL 61.A O no hydrogen 2.938 N/A ARG 66.A N ASN 62.A O no hydrogen 3.203 N/A ARG 66.A N ILE 63.A O no hydrogen 3.243 N/A ARG 66.A NE ASN 62.A OD1 no hydrogen 3.101 N/A ARG 66.A NH2 ASN 62.A OD1 no hydrogen 2.839 N/A ILE 67.A N ILE 63.A O no hydrogen 3.103 N/A LYS 70.A N ILE 67.A O no hydrogen 3.077 N/A GLU 77.A N THR 96.A OG1 no hydrogen 3.132 N/A VAL 79.A N GLY 94.A O no hydrogen 2.935 N/A PHE 80.A N GLY 94.A O no hydrogen 3.051 N/A THR 81.A N TYR 17.A OH no hydrogen 2.937 N/A GLY 82.A N PHE 92.A O no hydrogen 2.917 N/A MET 83.A N SER 91.A OG no hydrogen 3.393 N/A SER 85.A N TYR 88.A O no hydrogen 2.740 N/A TYR 88.A N SER 85.A O no hydrogen 3.016 N/A MET 90.A N SER 54.A OG no hydrogen 2.995 N/A ALA 93.A N LYS 46.A O no hydrogen 3.243 N/A GLY 94.A N PHE 80.A O no hydrogen 2.851 N/A PHE 95.A N ILE 44.A O no hydrogen 2.833 N/A THR 96.A N GLU 77.A O no hydrogen 2.917 N/A LYS 97.A N ASP 42.A O no hydrogen 2.893 N/A LYS 97.A NZ GLU 38.A OE1 no hydrogen 3.456 N/A LYS 97.A NZ GLU 38.A OE2 no hydrogen 3.185 N/A LYS 99.A NZ ARG 41.A O no hydrogen 2.907 N/A VAL 101.A N PHE 205.A O no hydrogen 3.051 N/A LEU 103.A N ILE 203.A O no hydrogen 2.722 N/A THR 104.A N PRO 102.A O no hydrogen 2.763 N/A LEU 108.A N THR 104.A O no hydrogen 2.880 N/A ASN 109.A N PRO 105.A O no hydrogen 2.954 N/A ASN 110.A N LEU 106.A O no hydrogen 3.048 N/A ASN 110.A N LEU 107.A O no hydrogen 3.220 N/A LEU 111.A N LEU 108.A O no hydrogen 3.056 N/A GLN 116.A N PRO 112.A O no hydrogen 2.951 N/A ASN 117.A N LYS 113.A O no hydrogen 2.931 N/A GLN 118.A N GLN 114.A O no hydrogen 2.827 N/A GLN 118.A NE2 GLN 118.A O no hydrogen 3.286 N/A GLN 118.A NE2 ASP 122.A OD1 no hydrogen 2.917 N/A ALA 119.A N SER 115.A O no hydrogen 3.275 N/A ALA 120.A N GLN 116.A O no hydrogen 3.160 N/A LYS 121.A N ASN 117.A O no hydrogen 3.101 N/A ASP 122.A N GLN 118.A O no hydrogen 2.945 N/A LEU 123.A N ALA 119.A O no hydrogen 2.872 N/A ALA 124.A N ALA 120.A O no hydrogen 2.954 N/A ARG 125.A N LYS 121.A O no hydrogen 2.857 N/A PHE 126.A N ASP 122.A O no hydrogen 3.033 N/A LEU 127.A N LEU 123.A O no hydrogen 2.955 N/A SER 128.A N ALA 124.A O no hydrogen 2.947 N/A GLU 129.A N ARG 125.A O no hydrogen 2.988 N/A LEU 130.A N PHE 126.A O no hydrogen 2.767 N/A HIS 131.A N LEU 127.A O no hydrogen 2.778 N/A HIS 131.A ND1 TYR 252.A OH no hydrogen 2.539 N/A HIS 131.A NE2 ASP 229.A OD1 no hydrogen 2.785 N/A SER 132.A N GLU 129.A O no hydrogen 2.977 N/A SER 132.A OG SER 128.A O no hydrogen 2.590 N/A ILE 133.A N LEU 130.A O no hydrogen 3.304 N/A SER 136.A N ASN 134.A OD1 no hydrogen 2.766 N/A SER 136.A OG ASN 134.A OD1 no hydrogen 2.728 N/A PHE 138.A N ILE 135.A O no hydrogen 3.259 N/A LEU 142.A N LYS 139.A O no hydrogen 3.399 N/A VAL 143.A N SER 140.A O no hydrogen 2.786 N/A LEU 144.A N ILE 223.A O no hydrogen 3.003 N/A ARG 147.A NH2 LEU 181.A O no hydrogen 3.490 N/A ARG 147.A NH2 GLU 184.A OE1 no hydrogen 3.266 N/A ARG 147.A NH2 GLU 184.A OE2 no hydrogen 2.813 N/A GLU 148.A N ASP 145.A OD1 no hydrogen 3.305 N/A LYS 149.A N ASP 145.A O no hydrogen 2.919 N/A LYS 149.A NZ ASP 153.A OD2 no hydrogen 3.204 N/A LYS 149.A NZ GLU 274.A OE1 no hydrogen 3.123 N/A LYS 149.A NZ GLU 274.A OE2 no hydrogen 2.853 N/A ILE 150.A N PHE 146.A O no hydrogen 2.878 N/A ASN 151.A N ARG 147.A O no hydrogen 2.940 N/A GLU 152.A N GLU 148.A O no hydrogen 2.890 N/A ASP 153.A N LYS 149.A O no hydrogen 2.903 N/A ASN 154.A N ILE 150.A O no hydrogen 2.851 N/A ASN 154.A ND2 ASN 154.A O no hydrogen 2.464 N/A LYS 155.A N ASN 151.A O no hydrogen 3.281 N/A LYS 155.A N GLU 152.A O no hydrogen 3.305 N/A LYS 156.A N GLU 152.A O no hydrogen 3.084 N/A ILE 157.A N ASP 153.A O no hydrogen 2.914 N/A LYS 158.A N ASN 154.A O no hydrogen 3.303 N/A LYS 159.A N LYS 155.A O no hydrogen 3.165 N/A LEU 160.A N LYS 156.A O no hydrogen 2.953 N/A LEU 161.A N ILE 157.A O no hydrogen 2.831 N/A SER 162.A OG LYS 159.A O no hydrogen 2.786 N/A ARG 163.A N LEU 160.A O no hydrogen 3.420 N/A GLU 164.A N LEU 161.A O no hydrogen 3.022 N/A LEU 165.A N LEU 161.A O no hydrogen 2.993 N/A LYS 166.A N GLN 169.A OE1 no hydrogen 3.248 N/A MET 170.A N LYS 166.A O no hydrogen 3.037 N/A MET 170.A N GLY 167.A O no hydrogen 3.037 N/A LYS 171.A N GLY 167.A O no hydrogen 3.027 N/A ASP 174.A N MET 170.A O no hydrogen 2.980 N/A ASP 175.A N LYS 171.A O no hydrogen 2.640 N/A PHE 176.A N ALA 172.A O no hydrogen 3.240 N/A TYR 177.A N VAL 173.A O no hydrogen 2.854 N/A TYR 177.A OH TYR 270.A OH no hydrogen 2.780 N/A ARG 178.A N ASP 174.A O no hydrogen 3.170 N/A ARG 178.A NH1 ASP 175.A OD2 no hydrogen 2.916 N/A ASP 179.A N ASP 175.A O no hydrogen 3.018 N/A ILE 180.A N PHE 176.A O no hydrogen 3.161 N/A LEU 181.A N TYR 177.A O no hydrogen 3.057 N/A GLU 182.A N ARG 178.A O no hydrogen 3.119 N/A ASN 183.A N ILE 180.A O no hydrogen 3.003 N/A ASN 183.A ND2 TYR 186.A OH no hydrogen 3.490 N/A ASN 183.A ND2 GLU 262.A OE2 no hydrogen 3.396 N/A ILE 185.A N ASN 183.A OD1 no hydrogen 3.391 N/A TYR 186.A N ASN 183.A O no hydrogen 3.385 N/A PHE 187.A N GLU 184.A O no hydrogen 2.696 N/A LYS 188.A N GLU 184.A O no hydrogen 2.782 N/A CYS 192.A N SER 224.A O no hydrogen 3.031 N/A CYS 192.A SG LEU 193.A O no hydrogen 3.480 N/A ILE 194.A N ALA 222.A O no hydrogen 2.766 N/A HIS 195.A N ASP 229.A OD1 no hydrogen 3.132 N/A HIS 195.A NE2 ILE 216.A O no hydrogen 2.828 N/A ASN 196.A N ASP 229.A OD2 no hydrogen 2.877 N/A ASN 196.A ND2 ASP 220.A O no hydrogen 3.017 N/A ASP 197.A N HIS 195.A ND1 no hydrogen 3.051 N/A SER 200.A N GLU 239.A OE1 no hydrogen 2.959 N/A SER 200.A OG GLU 239.A OE1 no hydrogen 2.826 N/A SER 200.A OG GLU 239.A OE2 no hydrogen 3.450 N/A HIS 202.A N SER 199.A O no hydrogen 2.758 N/A HIS 202.A ND1 ASP 217.A OD2 no hydrogen 2.555 N/A ILE 203.A N SER 200.A O no hydrogen 3.222 N/A LEU 204.A N GLY 214.A O no hydrogen 3.049 N/A PHE 205.A N VAL 101.A O no hydrogen 2.539 N/A ASP 206.A N THR 211.A O no hydrogen 2.951 N/A LYS 209.A N ASP 206.A OD1 no hydrogen 3.038 N/A ASN 210.A ND2 SER 115.A OG no hydrogen 3.103 N/A THR 211.A N ASP 206.A O no hydrogen 3.280 N/A CYS 213.A N LEU 204.A O no hydrogen 2.980 N/A CYS 213.A SG LYS 99.A O no hydrogen 3.609 N/A ILE 215.A N PRO 74.A O no hydrogen 3.072 N/A ILE 216.A N HIS 202.A O no hydrogen 2.949 N/A PHE 218.A N GLU 60.A OE1 no hydrogen 3.112 N/A ALA 221.A N PHE 218.A O no hydrogen 2.936 N/A ALA 222.A N ILE 194.A O no hydrogen 3.056 N/A ILE 223.A N LEU 142.A O no hydrogen 2.939 N/A SER 224.A N CYS 192.A O no hydrogen 2.875 N/A ASP 225.A N SER 224.A OG no hydrogen 2.663 N/A ASP 227.A N ASP 225.A OD2 no hydrogen 3.007 N/A ASN 228.A N ASP 225.A O no hydrogen 2.980 N/A ASP 229.A N PRO 226.A O no hydrogen 3.060 N/A PHE 230.A N ASP 227.A O no hydrogen 3.117 N/A ILE 231.A N ASP 227.A O no hydrogen 3.127 N/A SER 232.A N ASN 228.A O no hydrogen 3.196 N/A SER 232.A OG ASN 228.A O no hydrogen 2.478 N/A LEU 233.A N PHE 230.A O no hydrogen 3.129 N/A MET 234.A N ILE 231.A O no hydrogen 3.337 N/A GLU 239.A N GLU 235.A O no hydrogen 2.922 N/A TYR 240.A OH LEU 103.A O no hydrogen 2.507 N/A MET 242.A N ASP 236.A OD2 no hydrogen 3.321 N/A VAL 245.A N GLY 241.A O no hydrogen 3.354 N/A SER 246.A OG MET 242.A O no hydrogen 2.888 N/A SER 246.A OG GLU 243.A O no hydrogen 2.780 N/A LYS 247.A N PHE 244.A O no hydrogen 2.783 N/A ILE 248.A N PHE 244.A O no hydrogen 3.270 N/A LEU 249.A N VAL 245.A O no hydrogen 2.704 N/A ASN 250.A N SER 246.A O no hydrogen 3.362 N/A HIS 251.A N LYS 247.A O no hydrogen 3.091 N/A TYR 252.A N ILE 248.A O no hydrogen 3.025 N/A TYR 252.A OH HIS 131.A ND1 no hydrogen 2.539 N/A HIS 254.A N LEU 249.A O no hydrogen 2.959 N/A HIS 254.A NE2 ASP 227.A OD1 no hydrogen 2.805 N/A ASP 256.A N HIS 254.A ND1 no hydrogen 3.042 N/A THR 259.A N ASP 256.A O no hydrogen 3.315 N/A THR 259.A OG1 ASP 256.A OD2 no hydrogen 2.412 N/A LEU 261.A N ILE 257.A O no hydrogen 3.063 N/A GLU 262.A N PRO 258.A O no hydrogen 2.938 N/A LYS 263.A N THR 259.A O no hydrogen 2.809 N/A LYS 263.A NZ ASP 225.A OD1 no hydrogen 2.654 N/A LYS 263.A NZ ASP 225.A OD2 no hydrogen 3.509 N/A LYS 263.A NZ ASP 227.A OD2 no hydrogen 2.826 N/A TYR 264.A N VAL 260.A O no hydrogen 2.712 N/A ARG 265.A N LEU 261.A O no hydrogen 2.960 N/A MET 266.A N GLU 262.A O no hydrogen 3.313 N/A MET 266.A N LYS 263.A O no hydrogen 3.188 N/A LYS 267.A N LYS 263.A O no hydrogen 2.972 N/A GLU 268.A N TYR 264.A O no hydrogen 2.872 N/A LYS 269.A N ARG 265.A O no hydrogen 3.454 N/A TYR 270.A N MET 266.A O no hydrogen 2.800 N/A TYR 270.A OH ASP 153.A OD2 no hydrogen 2.696 N/A TYR 270.A OH TYR 177.A OH no hydrogen 2.780 N/A TRP 271.A N LYS 267.A O no hydrogen 3.085 N/A TRP 271.A N GLU 268.A O no hydrogen 3.322 N/A SER 272.A OG GLU 294.A OE1 no hydrogen 2.771 N/A GLU 274.A N TYR 270.A O no hydrogen 3.200 N/A LYS 275.A N TRP 271.A O no hydrogen 2.907 N/A LYS 275.A NZ GLU 290.A OE2 no hydrogen 2.680 N/A LYS 275.A NZ GLU 294.A OE2 no hydrogen 2.589 N/A ILE 276.A N SER 272.A O no hydrogen 3.225 N/A ILE 276.A N PHE 273.A O no hydrogen 3.200 N/A ILE 277.A N PHE 273.A O no hydrogen 3.069 N/A TYR 278.A N GLU 274.A O no hydrogen 2.819 N/A GLY 279.A N LYS 275.A O no hydrogen 2.744 N/A LYS 280.A N ILE 276.A O no hydrogen 3.253 N/A GLU 281.A N ILE 277.A O no hydrogen 3.126 N/A TYR 282.A N TYR 278.A O no hydrogen 2.887 N/A GLY 283.A N GLY 279.A O no hydrogen 3.241 N/A TYR 284.A OH ASN 32.A OD1 no hydrogen 2.687 N/A TRP 287.A N TYR 284.A O no hydrogen 2.953 N/A TYR 288.A N TYR 284.A O no hydrogen 3.161 N/A TYR 288.A OH GLU 164.A OE2 no hydrogen 2.693 N/A GLU 290.A N ASP 286.A O no hydrogen 3.358 N/A GLY 291.A N TRP 287.A O no hydrogen 2.945 N/A LEU 292.A N TYR 288.A O no hydrogen 2.806 N/A ASN 293.A N GLU 289.A O no hydrogen 2.706 N/A GLU 294.A N GLU 290.A O no hydrogen 3.103 N/A ILE 295.A N GLY 291.A O no hydrogen 3.231 N/A ILE 295.A N LEU 292.A O no hydrogen 2.991 N/A ARG 296.A N LEU 292.A O no hydrogen 2.949 N/A ARG 296.A NH2 GLU 164.A O no hydrogen 3.399 N/A SER 297.A OG ASN 293.A O no hydrogen 2.881 N/A ALA 298.A N ILE 295.A O no hydrogen 2.951 N/A