Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xe6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASN 3.A O no hydrogen 3.229 N/A SER 1.A OG GLU 174.A OE2 no hydrogen 3.130 N/A ASN 5.A ND2 GLU 174.A OE2 no hydrogen 3.529 N/A ILE 6.A N LEU 168.A O no hydrogen 2.983 N/A LEU 8.A N GLY 166.A O no hydrogen 2.716 N/A VAL 9.A N TYR 17.A O no hydrogen 2.690 N/A PHE 11.A N MET 15.A O no hydrogen 2.649 N/A ASN 13.A N ASP 10.A OD1 no hydrogen 2.806 N/A ILE 14.A N PHE 11.A O no hydrogen 2.815 N/A TYR 17.A N VAL 9.A O no hydrogen 2.837 N/A GLY 18.A N PHE 31.A O no hydrogen 3.174 N/A GLU 21.A N THR 92.A O no hydrogen 3.093 N/A VAL 22.A N GLN 27.A O no hydrogen 3.142 N/A ASP 24.A N SER 63.A OG no hydrogen 3.001 N/A ASN 25.A N ASN 25.A OD1 no hydrogen 2.541 N/A GLN 26.A NE2 GLU 21.A OE1 no hydrogen 2.749 N/A GLN 27.A NE2 ASN 25.A OD1 no hydrogen 3.429 N/A GLN 27.A NE2 ASP 59.A O no hydrogen 3.409 N/A PHE 29.A N ALA 20.A O no hydrogen 2.944 N/A THR 30.A N ASP 121.A OD2 no hydrogen 3.023 N/A PHE 31.A N GLY 18.A O no hydrogen 2.730 N/A ILE 32.A N GLY 122.A O no hydrogen 2.914 N/A ASP 34.A N LEU 124.A O no hydrogen 3.171 N/A THR 35.A N SER 215.A OG no hydrogen 3.264 N/A THR 35.A OG1 VAL 213.A O no hydrogen 2.755 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 3.212 N/A SER 37.A N ASP 34.A O no hydrogen 3.436 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.808 N/A ASN 39.A ND2 ILE 133.A O no hydrogen 3.300 N/A TRP 41.A N ILE 123.A O no hydrogen 2.974 N/A TRP 41.A NE1 TYR 77.A OH no hydrogen 3.065 N/A VAL 42.A N ILE 103.A O no hydrogen 3.072 N/A SER 44.A N VAL 105.A O no hydrogen 2.941 N/A SER 44.A OG GLU 104.A OE2 no hydrogen 2.571 N/A VAL 45.A N TYR 58.A O no hydrogen 2.820 N/A LYS 46.A N SER 44.A OG no hydrogen 3.155 N/A CYS 47.A SG ILE 106.A O no hydrogen 3.233 N/A THR 48.A OG1 ILE 106.A O no hydrogen 3.278 N/A CYS 52.A N THR 49.A O no hydrogen 3.115 N/A LEU 53.A N ALA 50.A O no hydrogen 3.083 N/A LYS 55.A N CYS 52.A O no hydrogen 3.375 N/A LYS 55.A NZ TYR 115.A O no hydrogen 2.680 N/A LYS 55.A NZ PHE 120.A O no hydrogen 3.071 N/A HIS 56.A N ASP 121.A OD1 no hydrogen 2.709 N/A TYR 58.A N PRO 43.A O no hydrogen 2.833 N/A TYR 58.A OH ASP 89.A OD2 no hydrogen 2.596 N/A ASP 59.A N GLN 27.A OE1 no hydrogen 2.818 N/A SER 61.A OG ASP 59.A OD1 no hydrogen 2.330 N/A LYS 62.A N ASP 59.A O no hydrogen 3.258 N/A SER 63.A N SER 60.A O no hydrogen 2.903 N/A SER 63.A OG THR 65.A OG1 no hydrogen 3.410 N/A SER 63.A OG ASP 89.A OD1 no hydrogen 3.270 N/A SER 63.A OG ASP 89.A OD2 no hydrogen 2.979 N/A ARG 64.A N ASP 24.A OD1 no hydrogen 3.148 N/A THR 65.A OG1 SER 63.A OG no hydrogen 3.410 N/A THR 65.A OG1 ASP 89.A OD1 no hydrogen 2.986 N/A TYR 66.A N SER 63.A O no hydrogen 3.463 N/A GLU 67.A N LYS 88.A O no hydrogen 3.034 N/A GLY 70.A N PHE 86.A O no hydrogen 3.108 N/A THR 71.A N ASP 69.A OD1 no hydrogen 3.416 N/A THR 71.A OG1 ASP 69.A OD1 no hydrogen 3.224 N/A VAL 73.A N GLY 84.A O no hydrogen 2.822 N/A MET 75.A N VAL 82.A O no hydrogen 2.980 N/A ASN 76.A ND2 GLU 74.A O no hydrogen 3.206 N/A TYR 77.A N GLY 80.A O no hydrogen 2.794 N/A GLY 80.A N TYR 77.A O no hydrogen 2.753 N/A THR 81.A N GLY 110.A O no hydrogen 2.735 N/A THR 81.A OG1 ASN 76.A OD1 no hydrogen 3.159 N/A VAL 82.A N MET 75.A O no hydrogen 3.203 N/A SER 83.A N ASP 107.A O no hydrogen 2.994 N/A GLY 84.A N VAL 73.A O no hydrogen 3.122 N/A PHE 85.A N GLU 104.A O no hydrogen 3.071 N/A PHE 86.A N THR 71.A O no hydrogen 3.205 N/A SER 87.A N PHE 102.A O no hydrogen 2.714 N/A SER 87.A OG PHE 86.A O no hydrogen 2.920 N/A SER 87.A OG GLU 104.A OE1 no hydrogen 2.952 N/A LEU 90.A N ASP 89.A OD1 no hydrogen 2.630 N/A VAL 91.A N ASP 89.A O no hydrogen 3.169 N/A THR 92.A N GLU 21.A O no hydrogen 2.977 N/A VAL 93.A N LEU 96.A O no hydrogen 2.852 N/A ASN 95.A N ASP 4.A OD2 no hydrogen 2.781 N/A LEU 96.A N VAL 93.A O no hydrogen 2.922 N/A LEU 98.A N VAL 91.A O no hydrogen 2.927 N/A TYR 100.A N ASP 89.A O no hydrogen 2.751 N/A TYR 100.A OH ASP 137.A O no hydrogen 2.733 N/A PHE 102.A N SER 87.A O no hydrogen 2.712 N/A ILE 103.A N LEU 40.A O no hydrogen 2.906 N/A GLU 104.A N PHE 85.A O no hydrogen 2.832 N/A VAL 105.A N VAL 42.A O no hydrogen 3.064 N/A ILE 106.A N SER 83.A O no hydrogen 2.715 N/A ASP 107.A N SER 83.A O no hydrogen 3.104 N/A ASN 109.A N ASP 107.A OD1 no hydrogen 3.279 N/A PHE 111.A N THR 108.A O no hydrogen 2.815 N/A TYR 115.A N PHE 111.A O no hydrogen 2.884 N/A TYR 115.A OH ASP 121.A O no hydrogen 2.646 N/A THR 116.A N GLU 112.A OE1 no hydrogen 3.098 N/A THR 116.A OG1 GLU 112.A OE1 no hydrogen 3.053 N/A THR 116.A OG1 GLU 112.A OE2 no hydrogen 2.845 N/A ALA 117.A N PRO 113.A O no hydrogen 3.090 N/A SER 118.A N THR 114.A O no hydrogen 2.859 N/A SER 118.A OG THR 114.A O no hydrogen 2.828 N/A ASP 121.A N THR 30.A O no hydrogen 2.603 N/A GLY 122.A N THR 30.A O no hydrogen 3.037 N/A LEU 124.A N ILE 32.A O no hydrogen 3.006 N/A GLY 125.A N ASN 39.A O no hydrogen 2.836 N/A LEU 126.A N ASP 34.A O no hydrogen 2.963 N/A GLY 127.A N SER 37.A O no hydrogen 3.013 N/A TRP 128.A N LEU 191.A O no hydrogen 3.253 N/A LEU 131.A N TRP 128.A O no hydrogen 3.149 N/A SER 132.A N LYS 129.A O no hydrogen 3.235 N/A SER 132.A OG LYS 129.A O no hydrogen 2.752 N/A ILE 133.A N ASN 39.A OD1 no hydrogen 3.028 N/A VAL 136.A N SER 132.A OG no hydrogen 3.011 N/A GLU 142.A N PRO 138.A O no hydrogen 3.176 N/A LEU 143.A N ILE 139.A O no hydrogen 2.760 N/A LYS 144.A N VAL 141.A O no hydrogen 2.942 N/A LYS 144.A NZ GLU 150.A O no hydrogen 2.919 N/A ASN 145.A N VAL 141.A O no hydrogen 2.720 N/A GLN 146.A N GLU 142.A O no hydrogen 2.893 N/A ASN 147.A N LYS 144.A O no hydrogen 2.642 N/A LYS 148.A N LEU 143.A O no hydrogen 2.788 N/A LYS 148.A NZ SER 97.A O no hydrogen 3.224 N/A ASN 151.A N GLY 171.A O no hydrogen 3.274 N/A ASN 151.A ND2 GLY 171.A O no hydrogen 3.121 N/A ALA 152.A N ASP 316.A OD2 no hydrogen 2.733 N/A LEU 153.A N ASN 151.A O no hydrogen 2.785 N/A PHE 154.A N PHE 313.A O no hydrogen 3.077 N/A THR 155.A N THR 169.A O no hydrogen 2.686 N/A THR 155.A OG1 THR 311.A O no hydrogen 3.094 N/A PHE 156.A N THR 311.A O no hydrogen 2.839 N/A TYR 157.A N PHE 167.A O no hydrogen 2.866 N/A TYR 157.A OH LYS 326.A O no hydrogen 2.616 N/A VAL 160.A N HIS 164.A O no hydrogen 3.071 N/A HIS 164.A ND1 THR 165.A O no hydrogen 3.039 N/A THR 165.A OG1 GLU 7.A OE2 no hydrogen 3.289 N/A GLY 166.A N LEU 8.A O no hydrogen 3.347 N/A PHE 167.A N TYR 157.A O no hydrogen 2.807 N/A LEU 168.A N ILE 6.A O no hydrogen 3.075 N/A THR 169.A N THR 155.A O no hydrogen 3.227 N/A THR 169.A OG1 ASN 5.A OD1 no hydrogen 3.191 N/A ILE 170.A N ASP 4.A O no hydrogen 2.952 N/A GLY 171.A N LEU 153.A O no hydrogen 2.572 N/A ARG 176.A NH1 GLU 174.A OE1 no hydrogen 2.721 N/A PHE 177.A N GLU 174.A O no hydrogen 3.331 N/A THR 183.A N ILE 322.A O no hydrogen 3.093 N/A GLU 185.A N VAL 320.A O no hydrogen 2.815 N/A LEU 187.A N HIS 318.A O no hydrogen 3.100 N/A ASN 188.A N GLN 194.A O no hydrogen 2.829 N/A ASN 188.A ND2 THR 196.A OG1 no hydrogen 3.389 N/A ASN 188.A ND2 ASN 210.A OD1 no hydrogen 2.732 N/A TYR 192.A N GLN 194.A OE1 no hydrogen 3.345 N/A TRP 193.A NE1 LEU 126.A O no hydrogen 2.908 N/A GLN 194.A NE2 ASN 210.A OD1 no hydrogen 2.881 N/A ILE 195.A N CYS 211.A O no hydrogen 3.067 N/A LEU 197.A N ALA 209.A O no hydrogen 2.912 N/A ASP 198.A N THR 260.A O no hydrogen 2.942 N/A ALA 199.A N LEU 206.A O no hydrogen 2.879 N/A HIS 200.A N GLU 258.A O no hydrogen 2.844 N/A VAL 201.A N ILE 204.A O no hydrogen 2.903 N/A ASN 203.A N ASN 203.A OD1 no hydrogen 2.502 N/A LEU 206.A N ALA 199.A O no hydrogen 2.804 N/A LYS 208.A N ASP 198.A OD1 no hydrogen 2.618 N/A ALA 209.A N LEU 197.A O no hydrogen 2.685 N/A CYS 211.A N ILE 195.A O no hydrogen 2.845 N/A CYS 211.A SG ALA 209.A O no hydrogen 3.419 N/A ILE 212.A N PHE 299.A O no hydrogen 2.925 N/A VAL 213.A N TRP 193.A O no hydrogen 3.017 N/A ASP 214.A N LEU 301.A O no hydrogen 3.210 N/A SER 215.A N THR 35.A OG1 no hydrogen 2.844 N/A SER 215.A OG LEU 33.A O no hydrogen 2.929 N/A GLY 216.A N ASP 214.A OD1 no hydrogen 3.084 N/A THR 217.A N ASP 214.A O no hydrogen 3.014 N/A THR 217.A OG1 ASP 214.A OD2 no hydrogen 2.801 N/A ILE 220.A N ASN 288.A O no hydrogen 3.174 N/A THR 221.A N ILE 300.A O no hydrogen 2.925 N/A VAL 222.A N ILE 290.A O no hydrogen 3.033 N/A THR 224.A N ASP 293.A OD1 no hydrogen 2.961 N/A THR 224.A OG1 ASP 293.A OD1 no hydrogen 3.121 N/A THR 224.A OG1 ASP 293.A OD2 no hydrogen 2.252 N/A LEU 227.A N PRO 223.A O no hydrogen 2.904 N/A ASN 228.A N THR 224.A O no hydrogen 3.179 N/A ASN 228.A N ASP 225.A O no hydrogen 3.292 N/A LYS 229.A N ASP 225.A O no hydrogen 3.065 N/A LYS 229.A NZ ASP 225.A OD1 no hydrogen 2.935 N/A LYS 229.A NZ ASP 225.A OD2 no hydrogen 2.819 N/A LEU 231.A N LEU 227.A O no hydrogen 3.201 N/A GLN 232.A NE2 LYS 229.A O no hydrogen 3.495 N/A LEU 234.A N LEU 231.A O no hydrogen 2.711 N/A ILE 237.A N VAL 246.A O no hydrogen 3.007 N/A LYS 238.A NZ LEU 242.A O no hydrogen 2.589 N/A VAL 239.A N PHE 244.A O no hydrogen 3.091 N/A LEU 242.A N VAL 239.A O no hydrogen 2.857 N/A VAL 246.A N ILE 237.A O no hydrogen 3.070 N/A THR 247.A N CYS 285.A O no hydrogen 2.853 N/A THR 247.A OG1 LEU 248.A O no hydrogen 3.409 N/A CYS 249.A N GLY 283.A O no hydrogen 3.023 N/A CYS 249.A SG HIS 276.A ND1 no hydrogen 3.532 N/A CYS 249.A SG GLY 283.A O no hydrogen 3.262 N/A ASN 251.A N LEU 248.A O no hydrogen 2.985 N/A LYS 253.A NZ ASP 235.A OD1 no hydrogen 3.336 N/A LYS 253.A NZ ASP 235.A OD2 no hydrogen 3.019 N/A LEU 254.A N ASN 251.A O no hydrogen 3.380 N/A PHE 257.A N LEU 268.A O no hydrogen 3.188 N/A GLU 258.A N HIS 200.A O no hydrogen 2.932 N/A PHE 259.A N TYR 266.A O no hydrogen 2.770 N/A THR 260.A N ASP 198.A O no hydrogen 3.086 N/A THR 260.A OG1 ASP 198.A O no hydrogen 3.365 N/A SER 261.A N GLY 264.A O no hydrogen 3.002 N/A SER 261.A OG GLU 185.A OE1 no hydrogen 3.017 N/A SER 261.A OG GLU 185.A OE2 no hydrogen 2.715 N/A LYS 265.A NZ GLU 258.A OE1 no hydrogen 2.947 N/A TYR 266.A N PHE 259.A O no hydrogen 2.494 N/A TYR 266.A OH GLU 185.A OE2 no hydrogen 2.791 N/A THR 267.A N TYR 309.A OH no hydrogen 3.166 N/A THR 267.A OG1 GLU 269.A OE1 no hydrogen 3.182 N/A LEU 268.A N PHE 257.A O no hydrogen 3.052 N/A TYR 272.A N GLU 269.A O no hydrogen 2.581 N/A TYR 273.A N PRO 270.A O no hydrogen 3.020 N/A TYR 273.A OH PRO 255.A O no hydrogen 2.526 N/A GLN 275.A N MET 286.A O no hydrogen 2.927 N/A ILE 277.A N LEU 284.A O no hydrogen 2.847 N/A VAL 280.A N ILE 277.A O no hydrogen 3.266 N/A GLY 281.A N ILE 277.A O no hydrogen 3.273 N/A GLY 283.A N GLU 278.A OE1 no hydrogen 3.265 N/A GLY 283.A N GLU 278.A OE2 no hydrogen 3.383 N/A LEU 284.A N GLY 281.A O no hydrogen 3.254 N/A CYS 285.A N THR 247.A O no hydrogen 2.799 N/A MET 286.A N GLN 275.A O no hydrogen 2.815 N/A LEU 287.A N TYR 245.A O no hydrogen 2.934 N/A ASN 288.A N TYR 273.A O no hydrogen 2.802 N/A ASN 288.A ND2 SER 218.A O no hydrogen 3.278 N/A ILE 290.A N ILE 220.A O no hydrogen 3.129 N/A LEU 292.A N VAL 222.A O no hydrogen 2.671 N/A THR 298.A OG1 VAL 296.A O no hydrogen 2.592 N/A PHE 299.A N ASN 210.A O no hydrogen 2.836 N/A ILE 300.A N THR 221.A O no hydrogen 2.821 N/A LEU 301.A N ILE 212.A O no hydrogen 2.688 N/A ASP 303.A N THR 217.A O no hydrogen 2.988 N/A MET 306.A N GLY 302.A O no hydrogen 3.386 N/A ARG 307.A N ASP 303.A O no hydrogen 2.816 N/A ARG 307.A N PRO 304.A O no hydrogen 3.071 N/A ARG 307.A NH1 PRO 159.A O no hydrogen 3.521 N/A LYS 308.A N PHE 305.A O no hydrogen 2.934 N/A LYS 308.A NZ THR 267.A O no hydrogen 3.238 N/A LYS 308.A NZ THR 267.A OG1 no hydrogen 3.273 N/A LYS 308.A NZ GLU 269.A OE2 no hydrogen 2.580 N/A TYR 309.A N PHE 305.A O no hydrogen 3.103 N/A TYR 309.A OH THR 267.A O no hydrogen 3.004 N/A THR 311.A N PHE 156.A O no hydrogen 3.430 N/A VAL 312.A N GLY 321.A O no hydrogen 2.728 N/A PHE 313.A N PHE 154.A O no hydrogen 2.866 N/A ASP 314.A N SER 319.A O no hydrogen 3.049 N/A TYR 315.A N ALA 152.A O no hydrogen 2.937 N/A TYR 315.A OH GLY 127.A O no hydrogen 2.996 N/A ASN 317.A N ASP 314.A OD1 no hydrogen 2.872 N/A HIS 318.A N TYR 315.A O no hydrogen 3.178 N/A HIS 318.A ND1 ASP 190.A OD1 no hydrogen 3.259 N/A SER 319.A N ASP 314.A O no hydrogen 3.040 N/A SER 319.A OG ASN 317.A O no hydrogen 2.956 N/A VAL 320.A N GLU 185.A O no hydrogen 3.098 N/A GLY 321.A N VAL 312.A O no hydrogen 2.751 N/A ILE 322.A N THR 183.A O no hydrogen 2.811 N/A ALA 323.A N PHE 310.A O no hydrogen 3.146 N/A ALA 325.A N LYS 308.A O no hydrogen 2.925 N/A LYS 326.A N PHE 177.A O no hydrogen 2.632 N/A