Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f6w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 2.A OD2 no hydrogen 2.893 N/A LYS 6.A N ASP 2.A O no hydrogen 2.992 N/A VAL 7.A N TYR 3.A O no hydrogen 2.943 N/A LYS 8.A N ASP 4.A O no hydrogen 3.074 N/A LYS 8.A NZ GLU 12.A OE2 no hydrogen 3.378 N/A LEU 9.A N PHE 5.A O no hydrogen 3.099 N/A SER 10.A N LYS 6.A O no hydrogen 3.007 N/A SER 11.A N VAL 7.A O no hydrogen 2.890 N/A GLU 12.A N LYS 8.A O no hydrogen 3.143 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.715 N/A ASP 18.A N ARG 15.A O no hydrogen 3.095 N/A LEU 19.A N ARG 15.A O no hydrogen 3.121 N/A PHE 20.A N VAL 16.A O no hydrogen 2.996 N/A GLU 21.A N LYS 39.A O no hydrogen 2.786 N/A CYS 25.A N TYR 22.A O no hydrogen 3.287 N/A CYS 25.A SG GLU 23.A O no hydrogen 3.765 N/A LYS 26.A NZ HIS 34.A ND1 no hydrogen 3.004 N/A VAL 27.A N VAL 35.A O no hydrogen 2.785 N/A GLY 28.A N VAL 35.A O no hydrogen 3.148 N/A ARG 29.A NH1 GLY 33.A O no hydrogen 3.429 N/A ARG 29.A NH1 GLU 55.A OE1 no hydrogen 3.006 N/A GLY 30.A N GLY 33.A O no hydrogen 2.795 N/A GLY 33.A N GLY 30.A O no hydrogen 3.161 N/A HIS 34.A N GLN 53.A O no hydrogen 3.073 N/A VAL 35.A N GLY 28.A O no hydrogen 2.813 N/A TYR 36.A N LEU 51.A O no hydrogen 2.790 N/A LYS 37.A N CYS 25.A O no hydrogen 2.804 N/A ALA 38.A N TYR 49.A O no hydrogen 2.694 N/A LYS 39.A N GLU 21.A O no hydrogen 3.232 N/A ARG 40.A NE ASP 42.A O no hydrogen 3.482 N/A LYS 41.A N LEU 19.A O no hydrogen 2.923 N/A LYS 41.A NZ GLU 17.A O no hydrogen 2.833 N/A LYS 44.A N ASP 42.A O no hydrogen 2.877 N/A LYS 47.A NZ ASP 45.A OD1 no hydrogen 3.547 N/A TYR 49.A N ALA 38.A O no hydrogen 2.741 N/A TYR 49.A OH ASP 45.A OD2 no hydrogen 2.514 N/A ALA 50.A N PHE 97.A O no hydrogen 3.033 N/A LEU 51.A N TYR 36.A O no hydrogen 2.762 N/A LYS 52.A N LEU 95.A O no hydrogen 2.783 N/A LYS 52.A NZ GLU 66.A OE1 no hydrogen 2.665 N/A LYS 52.A NZ GLU 66.A OE2 no hydrogen 3.009 N/A GLN 53.A N HIS 34.A O no hydrogen 2.920 N/A ILE 54.A N VAL 93.A O no hydrogen 2.982 N/A GLU 55.A N TYR 32.A O no hydrogen 2.869 N/A GLY 58.A N ARG 91.A O no hydrogen 2.750 N/A ALA 63.A N SER 60.A OG no hydrogen 3.363 N/A CYS 64.A N SER 60.A O no hydrogen 2.864 N/A ARG 65.A N MET 61.A O no hydrogen 2.852 N/A GLU 66.A N SER 62.A O no hydrogen 3.063 N/A ILE 67.A N ALA 63.A O no hydrogen 2.966 N/A ALA 68.A N CYS 64.A O no hydrogen 2.925 N/A LEU 69.A N ARG 65.A O no hydrogen 3.138 N/A LEU 70.A N GLU 66.A O no hydrogen 2.978 N/A ARG 71.A N ILE 67.A O no hydrogen 2.962 N/A ARG 71.A NH2 ARG 71.A O no hydrogen 3.159 N/A GLU 72.A N LEU 69.A O no hydrogen 3.011 N/A LEU 73.A N LEU 69.A O no hydrogen 3.269 N/A LYS 74.A N TYR 136.A OH no hydrogen 2.923 N/A ASN 77.A ND2 GLN 129.A OE1 no hydrogen 3.056 N/A ASN 77.A ND2 VAL 164.A O no hydrogen 3.124 N/A VAL 78.A N HIS 75.A O no hydrogen 3.208 N/A ILE 79.A N ILE 166.A O no hydrogen 2.860 N/A SER 80.A N ASP 98.A OD2 no hydrogen 3.208 N/A GLN 82.A N LEU 96.A O no hydrogen 2.760 N/A GLN 82.A NE2 SER 80.A O no hydrogen 3.653 N/A LYS 83.A NZ GLU 14.A OE1 no hydrogen 2.721 N/A PHE 85.A N TRP 94.A O no hydrogen 2.885 N/A SER 87.A N LYS 92.A O no hydrogen 2.981 N/A SER 87.A OG ASP 90.A OD1 no hydrogen 2.622 N/A LYS 92.A N ASP 90.A OD1 no hydrogen 3.416 N/A LYS 92.A NZ GLY 56.A O no hydrogen 3.340 N/A TRP 94.A N PHE 85.A O no hydrogen 2.871 N/A LEU 95.A N LYS 52.A O no hydrogen 2.764 N/A LEU 96.A N LYS 83.A O no hydrogen 2.850 N/A PHE 97.A N ALA 50.A O no hydrogen 2.710 N/A TYR 99.A OH GLU 101.A OE2 no hydrogen 3.246 N/A HIS 102.A N VAL 154.A O no hydrogen 2.936 N/A LEU 104.A N ILE 152.A O no hydrogen 2.976 N/A HIS 106.A N ASP 103.A OD2 no hydrogen 2.983 N/A HIS 106.A ND1 ASP 103.A OD1 no hydrogen 2.911 N/A HIS 106.A ND1 ASP 103.A OD2 no hydrogen 3.134 N/A ILE 107.A N ASP 103.A O no hydrogen 2.984 N/A ILE 108.A N LEU 104.A O no hydrogen 2.901 N/A LYS 109.A N TRP 105.A O no hydrogen 3.118 N/A PHE 110.A N HIS 106.A O no hydrogen 2.924 N/A HIS 111.A N ILE 107.A O no hydrogen 3.308 N/A HIS 111.A ND1 VAL 116.A O no hydrogen 2.703 N/A HIS 111.A NE2 TYR 324.A OH no hydrogen 2.524 N/A ARG 112.A N ILE 108.A O no hydrogen 2.748 N/A ARG 112.A NE GLU 208.A OE2 no hydrogen 2.830 N/A ALA 113.A N LYS 109.A O no hydrogen 2.820 N/A SER 114.A N PHE 110.A O no hydrogen 3.121 N/A SER 114.A OG PHE 110.A O no hydrogen 3.250 N/A LYS 115.A NZ GLU 208.A OE2 no hydrogen 3.289 N/A ARG 120.A NE LEU 118.A O no hydrogen 2.819 N/A ARG 120.A NH2 LEU 118.A O no hydrogen 2.725 N/A ARG 120.A NH2 LEU 205.A O no hydrogen 3.475 N/A VAL 123.A N PRO 119.A O no hydrogen 3.095 N/A LYS 124.A N ARG 120.A O no hydrogen 3.269 N/A LYS 124.A NZ TYR 305.A O no hydrogen 2.786 N/A LYS 124.A NZ PRO 310.A O no hydrogen 2.582 N/A SER 125.A N GLY 121.A O no hydrogen 3.187 N/A SER 125.A OG GLY 121.A O no hydrogen 3.024 N/A SER 125.A OG THR 313.A OG1 no hydrogen 3.194 N/A LEU 126.A N MET 122.A O no hydrogen 2.896 N/A LEU 127.A N VAL 123.A O no hydrogen 2.980 N/A TYR 128.A N LYS 124.A O no hydrogen 2.965 N/A GLN 129.A N SER 125.A O no hydrogen 3.151 N/A GLN 129.A NE2 THR 313.A O no hydrogen 3.145 N/A GLN 129.A NE2 SER 314.A O no hydrogen 2.727 N/A ILE 130.A N LEU 126.A O no hydrogen 3.048 N/A LEU 131.A N LEU 127.A O no hydrogen 3.017 N/A ASP 132.A N TYR 128.A O no hydrogen 2.835 N/A GLY 133.A N GLN 129.A O no hydrogen 2.904 N/A ILE 134.A N ILE 130.A O no hydrogen 2.912 N/A HIS 135.A N LEU 131.A O no hydrogen 2.803 N/A TYR 136.A N ASP 132.A O no hydrogen 3.143 N/A LEU 137.A N GLY 133.A O no hydrogen 3.091 N/A HIS 138.A N ILE 134.A O no hydrogen 2.706 N/A HIS 138.A NE2 ASP 193.A OD2 no hydrogen 2.761 N/A ALA 139.A N HIS 135.A O no hydrogen 2.959 N/A ASN 140.A N TYR 136.A O no hydrogen 3.309 N/A ASN 140.A N LEU 137.A O no hydrogen 3.002 N/A ASN 140.A ND2 TYR 136.A O no hydrogen 2.997 N/A TRP 141.A N HIS 138.A O no hydrogen 2.961 N/A VAL 142.A N LEU 137.A O no hydrogen 2.815 N/A HIS 144.A N ASP 193.A OD2 no hydrogen 2.880 N/A HIS 144.A NE2 ALA 167.A O no hydrogen 2.706 N/A ARG 145.A N ASP 193.A OD1 no hydrogen 2.973 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.223 N/A LYS 148.A NZ ASP 146.A OD2 no hydrogen 3.150 N/A ASN 151.A N LYS 148.A O no hydrogen 3.051 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.918 N/A ILE 152.A N PRO 149.A O no hydrogen 3.136 N/A LEU 153.A N LYS 165.A O no hydrogen 2.955 N/A VAL 154.A N HIS 102.A O no hydrogen 2.855 N/A MET 155.A N ARG 163.A O no hydrogen 2.968 N/A ARG 161.A NE GLU 157.A OE1 no hydrogen 3.001 N/A ARG 161.A NE GLU 157.A OE2 no hydrogen 3.250 N/A ARG 161.A NH1 ASP 315.A OD2 no hydrogen 3.025 N/A ARG 161.A NH1 CYS 320.A O no hydrogen 2.922 N/A ARG 161.A NH2 GLU 157.A OE2 no hydrogen 2.924 N/A ARG 161.A NH2 CYS 320.A O no hydrogen 2.673 N/A GLY 162.A N MET 155.A O no hydrogen 2.922 N/A ARG 163.A N GLU 160.A O no hydrogen 3.058 N/A ARG 163.A NH1 GLU 160.A OE1 no hydrogen 3.137 N/A VAL 164.A N GLN 129.A OE1 no hydrogen 2.842 N/A LYS 165.A N LEU 153.A O no hydrogen 2.852 N/A LYS 165.A NZ PRO 76.A O no hydrogen 2.597 N/A LYS 165.A NZ GLU 160.A OE1 no hydrogen 2.686 N/A ILE 166.A N ASN 77.A O no hydrogen 2.803 N/A ALA 167.A N ASN 151.A O no hydrogen 2.969 N/A TRP 175.A NE1 CYS 213.A O no hydrogen 2.908 N/A TYR 176.A OH GLU 203.A OE1 no hydrogen 2.649 N/A ARG 177.A N PHE 174.A O no hydrogen 3.163 N/A ARG 177.A NH2 TYR 188.A OH no hydrogen 2.906 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.945 N/A LEU 181.A N ALA 178.A O no hydrogen 3.059 N/A LEU 182.A N ALA 178.A O no hydrogen 3.347 N/A LEU 183.A N PRO 179.A O no hydrogen 2.876 N/A GLY 184.A N LEU 181.A O no hydrogen 2.914 N/A ALA 185.A N GLU 180.A O no hydrogen 2.780 N/A LYS 190.A NZ HIS 138.A O no hydrogen 3.063 N/A ILE 192.A N THR 189.A O no hydrogen 3.226 N/A ILE 192.A N THR 189.A OG1 no hydrogen 3.049 N/A ILE 194.A N LYS 190.A O no hydrogen 3.143 N/A TRP 195.A N ALA 191.A O no hydrogen 3.097 N/A ALA 196.A N ILE 192.A O no hydrogen 3.339 N/A ILE 197.A N ASP 193.A O no hydrogen 3.046 N/A GLY 198.A N ILE 194.A O no hydrogen 2.886 N/A CYS 199.A N TRP 195.A O no hydrogen 2.918 N/A CYS 199.A SG TRP 175.A O no hydrogen 3.831 N/A CYS 199.A SG TRP 195.A O no hydrogen 3.336 N/A ILE 200.A N ALA 196.A O no hydrogen 3.002 N/A PHE 201.A N ILE 197.A O no hydrogen 2.934 N/A ALA 202.A N GLY 198.A O no hydrogen 3.024 N/A GLU 203.A N CYS 199.A O no hydrogen 3.156 N/A LEU 204.A N ILE 200.A O no hydrogen 2.797 N/A LEU 205.A N PHE 201.A O no hydrogen 2.945 N/A THR 206.A N ALA 202.A O no hydrogen 2.945 N/A THR 206.A OG1 ALA 202.A O no hydrogen 3.034 N/A SER 207.A N GLU 203.A O no hydrogen 2.662 N/A GLU 208.A N THR 206.A OG1 no hydrogen 3.189 N/A HIS 212.A N PRO 209.A O no hydrogen 3.205 N/A CYS 213.A SG ARG 214.A O no hydrogen 3.709 N/A GLN 215.A NE2 THR 173.A OG1 no hydrogen 3.120 N/A TYR 218.A OH ASP 253.A OD2 no hydrogen 2.734 N/A GLN 222.A NE2 PHE 211.A O no hydrogen 2.937 N/A GLN 222.A NE2 GLN 222.A O no hydrogen 3.171 N/A LEU 223.A N HIS 219.A O no hydrogen 3.318 N/A ASP 224.A N HIS 220.A O no hydrogen 2.914 N/A ARG 225.A N ASP 221.A O no hydrogen 2.973 N/A ARG 225.A NE ILE 210.A O no hydrogen 2.917 N/A ARG 225.A NH2 ILE 210.A O no hydrogen 2.728 N/A ILE 226.A N GLN 222.A O no hydrogen 3.083 N/A PHE 227.A N LEU 223.A O no hydrogen 2.867 N/A ASN 228.A N ASP 224.A O no hydrogen 2.754 N/A VAL 229.A N ARG 225.A O no hydrogen 3.087 N/A VAL 229.A N ILE 226.A O no hydrogen 3.220 N/A MET 230.A N ILE 226.A O no hydrogen 2.724 N/A GLY 231.A N PHE 227.A O no hydrogen 2.799 N/A ALA 234.A N ASP 237.A OD2 no hydrogen 2.886 N/A ASP 237.A N ALA 234.A O no hydrogen 2.811 N/A TRP 238.A N ALA 234.A O no hydrogen 3.385 N/A ILE 241.A N TRP 238.A O no hydrogen 3.173 N/A LYS 243.A N ASP 240.A O no hydrogen 2.839 N/A MET 244.A N ILE 241.A O no hydrogen 3.137 N/A GLU 246.A N LEU 183.A O no hydrogen 3.264 N/A HIS 247.A N MET 244.A O no hydrogen 3.074 N/A THR 249.A OG1 GLU 246.A OE1 no hydrogen 3.036 N/A LEU 250.A N GLU 246.A O no hydrogen 2.969 N/A MET 251.A N HIS 247.A O no hydrogen 3.020 N/A LYS 252.A N SER 248.A O no hydrogen 2.913 N/A ASP 253.A N THR 249.A O no hydrogen 2.964 N/A PHE 254.A N LEU 250.A O no hydrogen 2.905 N/A ARG 256.A NH1 PHE 232.A O no hydrogen 3.442 N/A ARG 256.A NH1 PRO 233.A O no hydrogen 3.319 N/A ARG 256.A NH2 PRO 233.A O no hydrogen 3.096 N/A THR 258.A N ARG 255.A O no hydrogen 3.012 N/A THR 258.A OG1 ARG 255.A O no hydrogen 3.177 N/A TYR 259.A N ARG 256.A O no hydrogen 3.143 N/A TYR 259.A OH ASP 224.A OD1 no hydrogen 2.517 N/A THR 260.A OG1 ASN 257.A O no hydrogen 3.476 N/A CYS 262.A N TYR 259.A O no hydrogen 3.102 N/A CYS 262.A SG ASN 228.A O no hydrogen 3.431 N/A LYS 266.A N SER 263.A OG no hydrogen 3.174 N/A LYS 266.A NZ ASN 261.A O no hydrogen 3.332 N/A TYR 267.A N SER 263.A O no hydrogen 2.962 N/A MET 268.A N LEU 264.A O no hydrogen 2.899 N/A GLU 269.A N ILE 265.A O no hydrogen 3.001 N/A LYS 270.A N LYS 266.A O no hydrogen 3.253 N/A HIS 271.A N TYR 267.A O no hydrogen 3.384 N/A HIS 271.A N MET 268.A O no hydrogen 3.083 N/A LYS 272.A N GLU 269.A O no hydrogen 3.048 N/A VAL 273.A N MET 268.A O no hydrogen 3.030 N/A SER 277.A N LYS 274.A O no hydrogen 3.135 N/A SER 277.A OG LYS 274.A O no hydrogen 2.771 N/A PHE 280.A N SER 277.A OG no hydrogen 2.978 N/A HIS 281.A N SER 277.A O no hydrogen 3.213 N/A LEU 282.A N LYS 278.A O no hydrogen 3.073 N/A LEU 283.A N ALA 279.A O no hydrogen 2.980 N/A GLN 284.A N PHE 280.A O no hydrogen 2.865 N/A LYS 285.A N HIS 281.A O no hydrogen 3.323 N/A LEU 286.A N LEU 282.A O no hydrogen 3.074 N/A LEU 287.A N LEU 283.A O no hydrogen 2.881 N/A THR 288.A OG1 GLN 284.A O no hydrogen 3.007 N/A THR 288.A OG1 LYS 285.A O no hydrogen 3.489 N/A ILE 292.A N ASP 290.A OD1 no hydrogen 3.230 N/A LYS 293.A N ASP 290.A O no hydrogen 2.865 N/A LYS 293.A NZ ASP 237.A O no hydrogen 3.446 N/A ARG 294.A N PRO 291.A O no hydrogen 3.384 N/A ARG 294.A NE THR 288.A O no hydrogen 2.725 N/A ARG 294.A NH1 GLU 180.A OE1 no hydrogen 3.474 N/A ARG 294.A NH1 GLU 180.A OE2 no hydrogen 2.709 N/A ARG 294.A NH1 ALA 191.A O no hydrogen 2.897 N/A ARG 294.A NH2 GLU 180.A OE1 no hydrogen 2.620 N/A ARG 294.A NH2 THR 288.A O no hydrogen 3.429 N/A ILE 295.A N LYS 285.A O no hydrogen 3.390 N/A THR 296.A N GLN 299.A OE1 no hydrogen 3.279 N/A THR 296.A OG1 GLN 299.A OE1 no hydrogen 3.150 N/A GLN 299.A N THR 296.A OG1 no hydrogen 3.304 N/A ALA 300.A N THR 296.A O no hydrogen 3.079 N/A MET 301.A N SER 297.A O no hydrogen 3.007 N/A GLN 302.A N GLU 298.A O no hydrogen 3.130 N/A GLN 302.A N GLN 299.A O no hydrogen 3.212 N/A ASP 303.A N ALA 300.A O no hydrogen 3.102 N/A TYR 305.A N ASP 303.A OD2 no hydrogen 2.938 N/A PHE 306.A N ASP 303.A O no hydrogen 3.191 N/A LEU 307.A N PRO 304.A O no hydrogen 2.907 N/A GLU 308.A N TYR 305.A O no hydrogen 3.328 N/A THR 313.A N SER 125.A OG no hydrogen 2.923 N/A THR 313.A OG1 SER 125.A OG no hydrogen 3.194 N/A THR 313.A OG1 ASP 315.A O no hydrogen 2.628 N/A VAL 316.A N GLY 162.A O no hydrogen 2.807 N/A PHE 317.A N ASP 315.A OD1 no hydrogen 2.786 N/A ALA 318.A N ASP 315.A O no hydrogen 3.048 N/A GLY 319.A N ASP 315.A OD2 no hydrogen 3.320 N/A CYS 320.A N PHE 317.A O no hydrogen 2.980 N/A CYS 320.A SG ALA 318.A O no hydrogen 3.700 N/A TYR 324.A OH HIS 111.A NE2 no hydrogen 2.524 N/A ARG 327.A N GLU 101.A OE2 no hydrogen 3.073 N/A ARG 327.A NE ALA 100.A O no hydrogen 3.041 N/A ARG 327.A NH1 ALA 100.A O no hydrogen 3.034 N/A ARG 327.A NH1 ASP 103.A OD1 no hydrogen 3.170 N/A ARG 327.A NH2 ASP 103.A OD1 no hydrogen 2.720 N/A LEU 330.A N LYS 26.A O no hydrogen 2.845 N/A