Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wd1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 7.A N ASN 5.A OD1 no hydrogen 2.895 N/A VAL 9.A N ASN 5.A O no hydrogen 3.068 N/A GLN 10.A N PRO 6.A O no hydrogen 2.817 N/A ALA 11.A N GLU 7.A O no hydrogen 2.869 N/A VAL 12.A N LEU 8.A O no hydrogen 3.007 N/A GLN 13.A N VAL 9.A O no hydrogen 3.170 N/A VAL 15.A N VAL 12.A O no hydrogen 2.554 N/A VAL 16.A N GLN 13.A O no hydrogen 2.993 N/A ILE 17.A N ILE 91.A O no hydrogen 2.596 N/A SER 21.A N GLY 18.A O no hydrogen 3.021 N/A LEU 22.A N PRO 19.A O no hydrogen 3.216 N/A ILE 23.A N THR 42.A O no hydrogen 3.101 N/A HIS 25.A N HIS 40.A O.A no hydrogen 3.054 N/A HIS 25.A N HIS 40.A O.B no hydrogen 3.160 N/A ILE 30.A N VAL 38.A O no hydrogen 2.791 N/A GLY 31.A N VAL 38.A O no hydrogen 3.299 N/A GLY 33.A N GLY 36.A O no hydrogen 2.896 N/A HIS 34.A N ASP 171.A OD1 no hydrogen 2.769 N/A PHE 35.A N ASP 171.A OD1 no hydrogen 3.024 N/A VAL 38.A N GLY 31.A O no hydrogen 2.657 N/A TYR 39.A N VAL 55.A O no hydrogen 2.778 N/A HIS 40.A NE2.B TYR 102.A OH no hydrogen 3.357 N/A GLY 41.A N CYS 53.A O.A no hydrogen 2.877 N/A GLY 41.A N CYS 53.A O.B no hydrogen 3.027 N/A THR 42.A N ILE 23.A O no hydrogen 2.863 N/A LEU 43.A N ILE 51.A O no hydrogen 2.830 N/A LEU 44.A N SER 21.A O no hydrogen 2.899 N/A ASP 45.A N LYS 49.A O no hydrogen 3.340 N/A GLY 48.A N ASP 45.A O no hydrogen 2.637 N/A LYS 49.A N ASP 45.A OD1 no hydrogen 2.921 N/A ILE 51.A N LEU 43.A O no hydrogen 2.886 N/A CYS 53.A N.A GLY 41.A O no hydrogen 2.713 N/A CYS 53.A N.B GLY 41.A O no hydrogen 2.695 N/A CYS 53.A SG.B ILE 51.A O no hydrogen 3.519 N/A ALA 54.A N LEU 100.A O no hydrogen 2.863 N/A VAL 55.A N TYR 39.A O no hydrogen 2.634 N/A LYS 56.A N VAL 98.A O no hydrogen 2.980 N/A LYS 56.A NZ ALA 169.A O no hydrogen 3.342 N/A LYS 56.A NZ ASP 171.A OD2 no hydrogen 3.264 N/A LYS 56.A NZ TYR 173.A OH no hydrogen 3.323 N/A SER 57.A N CYS 37.A O no hydrogen 3.068 N/A LEU 58.A N PRO 96.A O no hydrogen 2.985 N/A ASN 59.A N PHE 35.A O no hydrogen 2.796 N/A ASN 59.A ND2 HIS 34.A O no hydrogen 3.514 N/A ARG 60.A NH1 HIS 34.A O no hydrogen 2.544 N/A THR 62.A N GLU 66.A OE1 no hydrogen 2.824 N/A THR 62.A OG1 ASP 63.A OD2 no hydrogen 3.374 N/A THR 62.A OG1 GLU 66.A OE1 no hydrogen 3.353 N/A ASP 63.A N GLU 66.A OE1 no hydrogen 3.396 N/A GLU 66.A N ASP 63.A OD1 no hydrogen 3.384 N/A SER 68.A N ILE 64.A O no hydrogen 3.141 N/A SER 68.A OG ILE 64.A O no hydrogen 3.323 N/A GLN 69.A N GLY 65.A O no hydrogen 3.075 N/A PHE 70.A N GLU 66.A O no hydrogen 3.066 N/A LEU 71.A N VAL 67.A O no hydrogen 2.905 N/A THR 72.A N SER 68.A O no hydrogen 2.887 N/A THR 72.A OG1 SER 68.A O no hydrogen 2.708 N/A GLU 73.A N GLN 69.A O no hydrogen 3.103 N/A GLY 74.A N PHE 70.A O no hydrogen 3.130 N/A ILE 75.A N LEU 71.A O no hydrogen 2.967 N/A MET 77.A N GLU 73.A O no hydrogen 2.748 N/A LYS 78.A N GLY 74.A O no hydrogen 3.080 N/A LYS 78.A NZ HIS 14.A O no hydrogen 3.404 N/A ASP 79.A N ILE 76.A O no hydrogen 3.085 N/A SER 81.A N TYR 137.A OH no hydrogen 3.011 N/A ASN 84.A N HIS 82.A ND1 no hydrogen 3.081 N/A ASN 84.A ND2 GLN 130.A OE1 no hydrogen 3.160 N/A ASN 84.A ND2 VAL 161.A O no hydrogen 3.130 N/A VAL 85.A N HIS 82.A O no hydrogen 3.043 N/A LEU 86.A N VAL 163.A O no hydrogen 2.909 N/A LEU 89.A N VAL 99.A O no hydrogen 2.872 N/A GLY 90.A N VAL 99.A O no hydrogen 3.346 N/A ILE 91.A N VAL 15.A O no hydrogen 3.196 N/A CYS 92.A N.A LEU 97.A O no hydrogen 2.938 N/A CYS 92.A N.B LEU 97.A O no hydrogen 2.962 N/A CYS 92.A SG.A ILE 17.A O no hydrogen 2.917 N/A CYS 92.A SG.B ILE 17.A O no hydrogen 3.439 N/A CYS 92.A SG.B ARG 94.A O no hydrogen 3.596 N/A SER 95.A OG SER 57.A OG no hydrogen 2.996 N/A LEU 97.A N CYS 92.A O.A no hydrogen 3.007 N/A LEU 97.A N CYS 92.A O.B no hydrogen 3.011 N/A VAL 98.A N LYS 56.A O no hydrogen 2.838 N/A VAL 99.A N GLY 90.A O no hydrogen 2.767 N/A LEU 100.A N ALA 54.A O no hydrogen 2.971 N/A TYR 102.A N HIS 52.A O no hydrogen 3.044 N/A HIS 105.A N LEU 155.A O no hydrogen 3.059 N/A GLY 106.A N MET 103.A O no hydrogen 3.059 N/A LEU 108.A N CYS 153.A O no hydrogen 2.614 N/A ARG 109.A N ALA 150.A O no hydrogen 3.017 N/A ARG 109.A NE GLY 223.A O no hydrogen 3.247 N/A ARG 109.A NH2 GLY 223.A O no hydrogen 2.901 N/A ASN 110.A N ASP 107.A OD2 no hydrogen 3.061 N/A PHE 111.A N ASP 107.A O no hydrogen 2.964 N/A ILE 112.A N LEU 108.A O no hydrogen 3.107 N/A ARG 113.A N ARG 109.A O no hydrogen 2.946 N/A ARG 113.A N ASN 110.A O no hydrogen 3.237 N/A ARG 113.A NH2 GLY 223.A O no hydrogen 3.007 N/A ASN 114.A N ASN 110.A O no hydrogen 3.027 N/A ASN 114.A N PHE 111.A O no hydrogen 3.320 N/A THR 116.A N ASN 114.A OD1 no hydrogen 2.936 N/A THR 116.A OG1 ASN 114.A OD1 no hydrogen 2.817 N/A HIS 117.A N ASN 114.A O no hydrogen 3.118 N/A HIS 117.A ND1 PHE 111.A O no hydrogen 2.986 N/A THR 120.A N ASP 123.A OD2 no hydrogen 3.018 N/A THR 120.A OG1 ASP 123.A OD2 no hydrogen 2.798 N/A LYS 122.A NZ PHE 284.A O no hydrogen 2.995 N/A LYS 122.A NZ PHE 287.A O no hydrogen 2.985 N/A ASP 123.A N THR 120.A OG1 no hydrogen 3.118 N/A LEU 124.A N THR 120.A O no hydrogen 2.862 N/A ILE 125.A N VAL 121.A O no hydrogen 2.968 N/A GLY 126.A N LYS 122.A O no hydrogen 2.778 N/A PHE 127.A N ASP 123.A O no hydrogen 2.893 N/A GLY 128.A N LEU 124.A O no hydrogen 3.185 N/A LEU 129.A N ILE 125.A O no hydrogen 2.797 N/A GLN 130.A N GLY 126.A O no hydrogen 2.947 N/A GLN 130.A NE2 PHE 159.A O no hydrogen 3.279 N/A VAL 131.A N PHE 127.A O no hydrogen 2.973 N/A ALA 132.A N GLY 128.A O no hydrogen 2.973 N/A LYS 133.A N LEU 129.A O no hydrogen 2.976 N/A GLY 134.A N GLN 130.A O no hydrogen 3.120 N/A MET 135.A N VAL 131.A O no hydrogen 2.897 N/A LYS 136.A N ALA 132.A O no hydrogen 2.808 N/A TYR 137.A N LYS 133.A O no hydrogen 3.200 N/A LEU 138.A N GLY 134.A O no hydrogen 2.907 N/A ALA 139.A N MET 135.A O no hydrogen 2.800 N/A SER 140.A N LYS 136.A O no hydrogen 3.076 N/A SER 140.A OG TYR 137.A O no hydrogen 2.587 N/A LYS 141.A N TYR 137.A O no hydrogen 3.083 N/A LYS 142.A N ALA 139.A O no hydrogen 2.788 N/A PHE 143.A N LEU 138.A O no hydrogen 3.105 N/A HIS 145.A N ASP 208.A OD2 no hydrogen 2.782 N/A HIS 145.A NE2 ALA 164.A O no hydrogen 2.643 N/A ARG 146.A N ASP 208.A OD1 no hydrogen 2.998 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.216 N/A ALA 150.A N GLU 218.A OE1 no hydrogen 2.952 N/A ARG 151.A NE TYR 178.A OH no hydrogen 3.192 N/A ARG 151.A NH2 ASP 147.A OD1 no hydrogen 3.235 N/A ARG 151.A NH2 TYR 178.A OH no hydrogen 3.314 N/A ASN 152.A N ALA 149.A O no hydrogen 3.059 N/A ASN 152.A ND2 ASP 147.A O no hydrogen 2.670 N/A CYS 153.A SG ALA 149.A O no hydrogen 3.441 N/A MET 154.A N LYS 162.A O no hydrogen 2.746 N/A LEU 155.A N GLY 106.A O no hydrogen 2.886 N/A ASP 156.A N THR 160.A O no hydrogen 3.068 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.623 N/A LYS 158.A N ASP 156.A OD1 no hydrogen 2.892 N/A LYS 158.A NZ GLU 157.A OE2 no hydrogen 2.526 N/A PHE 159.A N ASP 156.A O no hydrogen 2.803 N/A THR 160.A N ASP 156.A OD1 no hydrogen 3.020 N/A THR 160.A OG1 ASP 156.A OD1 no hydrogen 3.395 N/A VAL 161.A N GLN 130.A OE1 no hydrogen 2.798 N/A LYS 162.A N MET 154.A O no hydrogen 2.726 N/A LYS 162.A NZ PRO 83.A O no hydrogen 2.426 N/A VAL 163.A N ASN 84.A O no hydrogen 2.853 N/A ALA 164.A N ASN 152.A O no hydrogen 2.829 N/A ALA 169.A N PHE 166.A O no hydrogen 3.298 N/A ARG 170.A N GLY 167.A O no hydrogen 3.150 N/A ASP 171.A N ASP 165.A OD1 no hydrogen 2.698 N/A MET 172.A N ASP 171.A OD1 no hydrogen 2.746 N/A TYR 173.A OH ALA 169.A O no hydrogen 2.550 N/A LYS 175.A NZ HIS 34.A ND1 no hydrogen 2.847 N/A GLU 176.A N ASP 174.A OD1 no hydrogen 3.286 N/A TYR 177.A N ASP 174.A O no hydrogen 3.461 N/A TYR 178.A N LYS 175.A O no hydrogen 3.206 N/A TYR 178.A OH ASP 147.A OD1 no hydrogen 3.249 N/A TYR 178.A OH ASP 147.A OD2 no hydrogen 2.435 N/A SER 179.A N LEU 188.A O no hydrogen 2.735 N/A SER 179.A OG THR 232.A OG1 no hydrogen 2.936 N/A HIS 181.A N ALA 186.A O no hydrogen 3.274 N/A LYS 183.A N HIS 181.A ND1 no hydrogen 3.089 N/A GLY 185.A N HIS 181.A O no hydrogen 3.389 N/A LEU 188.A N SER 179.A O no hydrogen 2.649 N/A LYS 191.A NZ TYR 227.A O no hydrogen 2.903 N/A LYS 191.A NZ VAL 230.A O no hydrogen 2.920 N/A TRP 192.A N PRO 189.A O no hydrogen 2.955 N/A TRP 192.A NE1 GLU 218.A OE1 no hydrogen 3.130 N/A MET 193.A N VAL 190.A O no hydrogen 3.199 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.732 N/A SER 197.A OG LYS 202.A O no hydrogen 2.582 N/A LEU 198.A N ALA 194.A O no hydrogen 3.149 N/A GLN 199.A N LEU 195.A O no hydrogen 3.159 N/A GLN 199.A N GLU 196.A O no hydrogen 3.145 N/A THR 200.A N GLU 196.A O no hydrogen 2.761 N/A THR 200.A OG1 GLU 196.A O no hydrogen 2.792 N/A LYS 202.A NZ THR 200.A OG1 no hydrogen 2.509 N/A THR 204.A N SER 207.A OG no hydrogen 2.891 N/A LYS 206.A NZ ARG 270.A O no hydrogen 3.084 N/A SER 207.A N THR 204.A O no hydrogen 2.998 N/A SER 207.A N THR 204.A OG1 no hydrogen 3.143 N/A SER 207.A OG THR 204.A O no hydrogen 2.713 N/A ASP 208.A N THR 204.A O no hydrogen 3.024 N/A VAL 209.A N THR 205.A O no hydrogen 2.921 N/A TRP 210.A N LYS 206.A O no hydrogen 3.224 N/A SER 211.A N SER 207.A O no hydrogen 3.264 N/A SER 211.A OG TRP 192.A O no hydrogen 2.680 N/A SER 211.A OG SER 207.A O no hydrogen 3.262 N/A PHE 212.A N ASP 208.A O no hydrogen 2.970 N/A GLY 213.A N VAL 209.A O no hydrogen 3.084 N/A VAL 214.A N TRP 210.A O no hydrogen 3.302 N/A LEU 215.A N SER 211.A O no hydrogen 2.807 N/A LEU 216.A N PHE 212.A O no hydrogen 2.881 N/A TRP 217.A N GLY 213.A O no hydrogen 3.186 N/A TRP 217.A NE1 LEU 246.A O no hydrogen 2.775 N/A GLU 218.A N VAL 214.A O no hydrogen 2.927 N/A LEU 219.A N LEU 215.A O no hydrogen 2.971 N/A MET 220.A N LEU 216.A O no hydrogen 2.987 N/A THR 221.A N TRP 217.A O no hydrogen 3.091 N/A THR 221.A OG1 TRP 217.A O no hydrogen 3.096 N/A THR 221.A OG1 GLU 218.A O no hydrogen 3.114 N/A ARG 222.A N LEU 219.A O no hydrogen 3.066 N/A ARG 222.A NE ILE 112.A O no hydrogen 2.750 N/A ARG 222.A NH1 HIS 117.A O no hydrogen 3.171 N/A ARG 222.A NH2 ILE 112.A O no hydrogen 2.894 N/A ARG 222.A NH2 ASN 114.A O no hydrogen 2.961 N/A ARG 222.A NH2 HIS 117.A O no hydrogen 2.918 N/A GLY 223.A N GLU 218.A O no hydrogen 2.691 N/A ALA 224.A N THR 221.A OG1 no hydrogen 3.132 N/A VAL 230.A N TYR 227.A O no hydrogen 3.191 N/A THR 232.A OG1 SER 179.A OG no hydrogen 2.936 N/A ASP 234.A N ASN 231.A O no hydrogen 2.910 N/A TYR 238.A N ASP 234.A O no hydrogen 3.016 N/A TYR 238.A OH ARG 244.A O no hydrogen 3.223 N/A LEU 239.A N ILE 235.A O no hydrogen 3.035 N/A LEU 240.A N THR 236.A O no hydrogen 2.850 N/A GLN 241.A N VAL 237.A O no hydrogen 2.966 N/A GLY 242.A N LEU 239.A O no hydrogen 3.052 N/A ARG 243.A NE GLN 241.A OE1 no hydrogen 3.220 N/A ARG 244.A NE TRP 263.A O no hydrogen 3.124 N/A ARG 244.A NH1 LEU 239.A O no hydrogen 3.242 N/A ARG 244.A NH1 ARG 243.A O no hydrogen 2.917 N/A ARG 244.A NH2 TRP 263.A O no hydrogen 2.851 N/A CYS 251.A N PRO 248.A O no hydrogen 2.919 N/A CYS 251.A SG PRO 252.A O no hydrogen 3.492 N/A LEU 255.A N PRO 252.A O no hydrogen 3.083 N/A TYR 256.A N PRO 252.A O no hydrogen 3.174 N/A TYR 256.A OH LEU 245.A O no hydrogen 2.540 N/A GLU 257.A N ASP 253.A O no hydrogen 3.039 N/A VAL 258.A N PRO 254.A O no hydrogen 3.195 N/A MET 259.A N LEU 255.A O no hydrogen 3.034 N/A LEU 260.A N TYR 256.A O no hydrogen 2.897 N/A LYS 261.A N GLU 257.A O no hydrogen 3.048 N/A CYS 262.A N VAL 258.A O no hydrogen 3.040 N/A CYS 262.A SG VAL 258.A O no hydrogen 3.415 N/A TRP 263.A N MET 259.A O no hydrogen 3.188 N/A TRP 263.A N LEU 260.A O no hydrogen 3.111 N/A HIS 264.A N LYS 261.A O no hydrogen 3.210 N/A LYS 266.A N HIS 264.A ND1 no hydrogen 3.023 N/A MET 269.A N LYS 266.A O no hydrogen 3.000 N/A ARG 270.A N ALA 267.A O no hydrogen 3.260 N/A ARG 270.A NE HIS 264.A O no hydrogen 2.685 N/A ARG 270.A NH1 GLU 196.A OE1 no hydrogen 3.475 N/A ARG 270.A NH1 GLU 196.A OE2 no hydrogen 2.764 N/A ARG 270.A NH1 LYS 206.A O no hydrogen 3.188 N/A ARG 270.A NH2 GLU 196.A OE1 no hydrogen 2.862 N/A ARG 270.A NH2 HIS 264.A O no hydrogen 2.872 N/A GLU 275.A N SER 272.A OG no hydrogen 3.333 N/A LEU 276.A N SER 272.A O no hydrogen 2.837 N/A VAL 277.A N PHE 273.A O no hydrogen 2.770 N/A SER 278.A N SER 274.A O no hydrogen 3.260 N/A ARG 279.A N GLU 275.A O no hydrogen 3.003 N/A ILE 280.A N LEU 276.A O no hydrogen 2.939 N/A SER 281.A N VAL 277.A O no hydrogen 2.966 N/A SER 281.A OG VAL 277.A O no hydrogen 2.750 N/A SER 281.A OG SER 278.A O no hydrogen 2.416 N/A ALA 282.A N SER 278.A O no hydrogen 3.229 N/A ILE 283.A N ARG 279.A O no hydrogen 3.135 N/A PHE 284.A N ILE 280.A O no hydrogen 2.846 N/A SER 285.A N SER 281.A O no hydrogen 2.961 N/A SER 285.A OG ALA 282.A O no hydrogen 2.474 N/A THR 286.A N ILE 283.A O no hydrogen 3.104 N/A THR 286.A OG1 ILE 283.A O no hydrogen 2.729 N/A PHE 287.A N PHE 284.A O no hydrogen 3.366 N/A