Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wdw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 158.A O no hydrogen 3.361 N/A GLY 5.A N ASN 209.A O no hydrogen 2.797 N/A SER 6.A N LYS 3.A O no hydrogen 3.221 N/A SER 6.A OG LYS 3.A O no hydrogen 2.548 N/A ILE 8.A N VAL 211.A O no hydrogen 2.816 N/A TYR 10.A N VAL 213.A O no hydrogen 2.917 N/A TYR 10.A OH THR 12.A OG1 no hydrogen 2.979 N/A LEU 11.A N GLU 36.A O no hydrogen 3.124 N/A THR 12.A OG1 TYR 10.A OH no hydrogen 2.979 N/A THR 12.A OG1 SER 54.A OG no hydrogen 2.733 N/A ALA 13.A N GLY 38.A O no hydrogen 2.794 N/A GLY 14.A N THR 21.A OG1 no hydrogen 2.974 N/A ASP 15.A N THR 12.A O no hydrogen 3.214 N/A SER 20.A N ASP 17.A OD1 no hydrogen 2.628 N/A SER 20.A OG ASP 17.A OD1 no hydrogen 3.020 N/A SER 20.A OG ASP 17.A OD2 no hydrogen 3.161 N/A THR 21.A N ASP 17.A O no hydrogen 3.168 N/A THR 21.A OG1 ASP 17.A O no hydrogen 3.516 N/A LEU 22.A N LYS 18.A O no hydrogen 3.343 N/A ASN 23.A N GLN 19.A O no hydrogen 3.011 N/A PHE 24.A N SER 20.A O no hydrogen 2.893 N/A LEU 25.A N THR 21.A O no hydrogen 2.928 N/A LEU 26.A N LEU 22.A O no hydrogen 3.023 N/A ALA 27.A N ASN 23.A O no hydrogen 2.959 N/A LEU 28.A N PHE 24.A O no hydrogen 3.030 N/A LEU 28.A N LEU 25.A O no hydrogen 3.236 N/A ASP 29.A N LEU 25.A O no hydrogen 2.791 N/A TYR 31.A N LEU 28.A O no hydrogen 2.764 N/A TYR 31.A OH GLU 237.A OE2 no hydrogen 3.216 N/A ALA 32.A N ASP 29.A O no hydrogen 3.151 N/A GLY 33.A N LEU 7.A O no hydrogen 3.093 N/A ILE 35.A N PRO 82.A O no hydrogen 2.884 N/A GLU 36.A N PRO 9.A O no hydrogen 2.895 N/A LEU 37.A N VAL 84.A O no hydrogen 2.823 N/A GLY 38.A N LEU 11.A O no hydrogen 2.829 N/A ILE 39.A N MET 86.A O no hydrogen 2.888 N/A PHE 41.A N HIS 55.A ND1 no hydrogen 2.699 N/A SER 42.A OG ASP 43.A OD2 no hydrogen 3.296 N/A ILE 45.A N TYR 88.A OH no hydrogen 2.979 N/A GLN 52.A N GLY 48.A O no hydrogen 2.729 N/A GLU 53.A N LYS 49.A O no hydrogen 2.877 N/A SER 54.A N THR 50.A O no hydrogen 3.370 N/A SER 54.A OG THR 12.A OG1 no hydrogen 2.733 N/A SER 54.A OG ILE 51.A O no hydrogen 2.500 N/A HIS 55.A N ILE 51.A O no hydrogen 3.239 N/A ARG 57.A N GLU 53.A O no hydrogen 3.014 N/A ARG 57.A NE ASP 15.A OD1 no hydrogen 3.180 N/A ARG 57.A NE ASP 15.A OD2 no hydrogen 2.943 N/A ARG 57.A NH2 ASP 15.A OD1 no hydrogen 2.869 N/A ALA 58.A N SER 54.A O no hydrogen 2.935 N/A LEU 59.A N HIS 55.A O no hydrogen 3.091 N/A LYS 60.A N TYR 56.A O no hydrogen 2.801 N/A ASN 61.A N ARG 57.A O no hydrogen 3.086 N/A GLY 62.A N LEU 59.A O no hydrogen 2.984 N/A PHE 63.A N ALA 58.A O no hydrogen 3.196 N/A LYS 64.A N GLU 67.A OE2 no hydrogen 3.402 N/A GLU 67.A N LYS 64.A O no hydrogen 2.743 N/A ALA 68.A N LEU 65.A O no hydrogen 2.969 N/A TRP 70.A N ARG 66.A O no hydrogen 2.900 N/A ILE 71.A N GLU 67.A O no hydrogen 3.115 N/A VAL 72.A N ALA 68.A O no hydrogen 3.150 N/A LYS 73.A N PHE 69.A O no hydrogen 2.840 N/A GLU 74.A N TRP 70.A O no hydrogen 2.774 N/A PHE 75.A N ILE 71.A O no hydrogen 2.871 N/A ARG 76.A N VAL 72.A O no hydrogen 2.968 N/A ARG 76.A NE GLY 108.A O no hydrogen 3.053 N/A ARG 76.A NH1 SER 79.A O no hydrogen 3.259 N/A ARG 76.A NH1 THR 81.A O no hydrogen 3.257 N/A ARG 76.A NH2 THR 81.A O no hydrogen 2.705 N/A ARG 76.A NH2 ASP 110.A OD1 no hydrogen 2.899 N/A ARG 77.A N GLU 74.A O no hydrogen 3.023 N/A HIS 78.A N PHE 75.A O no hydrogen 3.011 N/A SER 79.A N PHE 75.A O no hydrogen 2.992 N/A SER 79.A OG ASP 29.A OD1 no hydrogen 2.888 N/A SER 79.A OG ASP 29.A OD2 no hydrogen 3.345 N/A SER 79.A OG THR 81.A OG1 no hydrogen 2.793 N/A THR 81.A N SER 79.A OG no hydrogen 2.853 N/A THR 81.A OG1 ASP 29.A OD2 no hydrogen 2.431 N/A THR 81.A OG1 SER 79.A OG no hydrogen 2.793 N/A ILE 83.A N ASP 110.A OD1 no hydrogen 2.987 N/A VAL 84.A N ILE 35.A O no hydrogen 2.783 N/A LEU 85.A N GLY 111.A O no hydrogen 2.769 N/A MET 86.A N LEU 37.A O no hydrogen 2.791 N/A THR 87.A N LEU 113.A O no hydrogen 3.179 N/A THR 87.A OG1 TYR 88.A O no hydrogen 3.113 N/A TYR 88.A OH ASP 47.A OD2 no hydrogen 2.753 N/A TYR 89.A N ASP 116.A OD1 no hydrogen 2.667 N/A TYR 93.A N TYR 89.A O no hydrogen 2.782 N/A ARG 94.A N ASN 90.A O no hydrogen 2.735 N/A GLY 96.A N ILE 92.A O no hydrogen 2.888 N/A GLY 96.A N TYR 93.A O no hydrogen 3.346 N/A ARG 98.A NE GLU 132.A OE2 no hydrogen 3.179 N/A ASN 99.A ND2 ALA 95.A O no hydrogen 3.130 N/A PHE 100.A N GLY 96.A O no hydrogen 2.802 N/A LEU 101.A N VAL 97.A O no hydrogen 2.934 N/A ALA 102.A N ARG 98.A O no hydrogen 2.831 N/A GLU 103.A N ASN 99.A O no hydrogen 3.086 N/A ALA 104.A N PHE 100.A O no hydrogen 2.893 N/A LYS 105.A N LEU 101.A O no hydrogen 3.027 N/A LYS 105.A NZ GLY 133.A O no hydrogen 3.099 N/A ALA 106.A N ALA 102.A O no hydrogen 2.947 N/A SER 107.A N GLU 103.A O no hydrogen 3.008 N/A SER 107.A N ALA 104.A O no hydrogen 3.101 N/A SER 107.A OG GLU 103.A O no hydrogen 2.851 N/A GLY 108.A N LYS 105.A O no hydrogen 3.000 N/A VAL 109.A N ALA 104.A O no hydrogen 3.013 N/A ASP 110.A N ILE 83.A O no hydrogen 2.978 N/A GLY 111.A N ILE 83.A O no hydrogen 3.185 N/A ILE 112.A N LYS 135.A O no hydrogen 2.950 N/A LEU 113.A N LEU 85.A O no hydrogen 2.919 N/A VAL 115.A N THR 87.A O no hydrogen 3.060 N/A LEU 117.A N VAL 114.A O no hydrogen 3.408 N/A HIS 121.A N PRO 118.A O no hydrogen 2.961 N/A ALA 122.A N VAL 119.A O no hydrogen 3.002 N/A THR 126.A N ALA 122.A O no hydrogen 2.953 N/A THR 126.A OG1 ALA 122.A O no hydrogen 3.180 N/A THR 126.A OG1 LYS 123.A O no hydrogen 2.886 N/A GLU 127.A N LYS 123.A O no hydrogen 3.240 N/A ILE 128.A N GLU 124.A O no hydrogen 3.032 N/A ALA 129.A N PHE 125.A O no hydrogen 2.836 N/A ARG 130.A N THR 126.A O no hydrogen 3.148 N/A GLU 131.A N GLU 127.A O no hydrogen 3.341 N/A GLU 132.A N ALA 129.A O no hydrogen 3.184 N/A GLY 133.A N ARG 130.A O no hydrogen 2.925 N/A ILE 134.A N ALA 129.A O no hydrogen 2.880 N/A LYS 135.A N ASP 110.A O no hydrogen 2.867 N/A THR 136.A N THR 157.A OG1 no hydrogen 2.766 N/A THR 136.A OG1 MET 155.A O no hydrogen 2.757 N/A THR 136.A OG1 THR 157.A OG1 no hydrogen 3.429 N/A VAL 137.A N ILE 112.A O no hydrogen 2.892 N/A ALA 140.A N TYR 161.A O no hydrogen 2.900 N/A ALA 141.A N THR 144.A OG1 no hydrogen 2.833 N/A THR 144.A N ALA 141.A O no hydrogen 2.763 N/A THR 144.A OG1 ALA 141.A O no hydrogen 2.941 N/A LEU 149.A N PRO 145.A O no hydrogen 2.938 N/A LYS 150.A N ASP 146.A O no hydrogen 3.233 N/A VAL 151.A N GLU 147.A O no hydrogen 3.456 N/A ILE 152.A N ARG 148.A O no hydrogen 2.747 N/A ASP 153.A N LEU 149.A O no hydrogen 2.939 N/A ASP 154.A N LYS 150.A O no hydrogen 2.769 N/A MET 155.A N ILE 152.A O no hydrogen 3.164 N/A THR 156.A N ASP 153.A O no hydrogen 3.174 N/A THR 156.A OG1 ILE 152.A O no hydrogen 2.556 N/A THR 157.A N THR 136.A O no hydrogen 3.242 N/A THR 157.A N THR 136.A OG1 no hydrogen 3.026 N/A THR 157.A OG1 THR 136.A OG1 no hydrogen 3.429 N/A GLY 158.A N THR 136.A O no hydrogen 2.810 N/A VAL 160.A N LYS 187.A O no hydrogen 3.005 N/A TYR 161.A N PHE 138.A O no hydrogen 2.936 N/A LEU 162.A N ALA 189.A O no hydrogen 2.862 N/A VAL 163.A N ALA 140.A O no hydrogen 3.144 N/A ALA 173.A N PRO 170.A O no hydrogen 3.041 N/A TYR 174.A N PRO 170.A O no hydrogen 3.437 N/A TYR 174.A OH SER 202.A OG no hydrogen 2.931 N/A ASP 175.A N LYS 171.A O no hydrogen 3.207 N/A LEU 176.A N THR 172.A O no hydrogen 3.280 N/A LEU 177.A N ALA 173.A O no hydrogen 3.158 N/A ARG 178.A N TYR 174.A O no hydrogen 2.844 N/A ARG 179.A N ASP 175.A O no hydrogen 3.086 N/A ARG 179.A NE ASP 146.A OD1 no hydrogen 3.032 N/A ARG 179.A NH1 PRO 142.A O no hydrogen 3.366 N/A ARG 179.A NH2 THR 144.A O no hydrogen 2.531 N/A ARG 179.A NH2 ASP 146.A OD1 no hydrogen 3.217 N/A ALA 180.A N LEU 176.A O no hydrogen 2.817 N/A LYS 181.A N LEU 177.A O no hydrogen 2.896 N/A LYS 181.A NZ GLY 207.A O no hydrogen 2.607 N/A LYS 181.A NZ ASN 209.A OD1 no hydrogen 3.096 N/A ARG 182.A N ARG 178.A O no hydrogen 3.093 N/A ILE 183.A N ALA 180.A O no hydrogen 2.905 N/A CYS 184.A N ALA 180.A O no hydrogen 2.659 N/A CYS 184.A SG ALA 180.A O no hydrogen 3.372 N/A ARG 185.A N ASP 153.A OD1 no hydrogen 2.663 N/A ARG 185.A N ASP 153.A OD2 no hydrogen 3.212 N/A ARG 185.A NH1 ASP 154.A OD1 no hydrogen 3.044 N/A ARG 185.A NH2 ASP 154.A OD1 no hydrogen 2.742 N/A ASN 186.A N ASP 153.A OD2 no hydrogen 3.117 N/A ASN 186.A ND2 THR 156.A O no hydrogen 3.187 N/A LYS 187.A NZ PHE 2.A O no hydrogen 2.566 N/A LYS 187.A NZ ASP 4.A OD2 no hydrogen 2.570 N/A ALA 189.A N VAL 160.A O no hydrogen 3.008 N/A VAL 190.A N GLY 210.A O no hydrogen 2.929 N/A GLY 191.A N LEU 162.A O no hydrogen 2.828 N/A SER 195.A N HIS 199.A ND1 no hydrogen 2.979 N/A LYS 196.A N HIS 199.A ND1 no hydrogen 3.357 N/A ARG 197.A NH1 LEU 239.A O no hydrogen 2.713 N/A HIS 199.A N LYS 196.A O no hydrogen 2.898 N/A VAL 201.A N ARG 197.A O no hydrogen 3.142 N/A SER 202.A N GLU 198.A O no hydrogen 2.881 N/A SER 202.A OG TYR 174.A OH no hydrogen 2.931 N/A LEU 203.A N HIS 199.A O no hydrogen 2.821 N/A LEU 204.A N VAL 200.A O no hydrogen 3.008 N/A LYS 205.A N VAL 201.A O no hydrogen 2.919 N/A GLU 206.A N SER 202.A O no hydrogen 3.004 N/A GLU 206.A N LEU 203.A O no hydrogen 3.093 N/A GLY 207.A N LEU 204.A O no hydrogen 2.855 N/A ALA 208.A N LEU 203.A O no hydrogen 3.063 N/A GLY 210.A N VAL 188.A O no hydrogen 3.099 N/A VAL 211.A N SER 6.A O no hydrogen 3.141 N/A VAL 212.A N VAL 190.A O no hydrogen 2.748 N/A VAL 213.A N ILE 8.A O no hydrogen 2.739 N/A VAL 218.A N GLY 214.A O no hydrogen 2.801 N/A LYS 219.A N SER 215.A O no hydrogen 2.872 N/A LYS 219.A NZ GLU 223.A OE2 no hydrogen 3.196 N/A ILE 221.A N LEU 217.A O no hydrogen 3.011 N/A GLY 222.A N VAL 218.A O no hydrogen 2.906 N/A GLY 222.A N LYS 219.A O no hydrogen 3.268 N/A GLU 223.A N LYS 219.A O no hydrogen 3.181 N/A GLU 223.A N ILE 220.A O no hydrogen 2.988 N/A LYS 224.A N ILE 220.A O no hydrogen 2.776 N/A GLY 225.A N ILE 221.A O no hydrogen 3.067 N/A GLU 227.A N LYS 224.A O no hydrogen 2.957 N/A ALA 228.A N GLY 225.A O no hydrogen 3.223 N/A LEU 232.A N ALA 228.A O no hydrogen 2.988 N/A LYS 233.A N THR 229.A O no hydrogen 3.292 N/A LYS 234.A N GLU 230.A O no hydrogen 3.079 N/A LYS 235.A N PHE 231.A O no hydrogen 3.042 N/A LYS 235.A NZ GLU 238.A OE2 no hydrogen 3.012 N/A VAL 236.A N LEU 232.A O no hydrogen 2.796 N/A GLU 237.A N LYS 233.A O no hydrogen 2.644 N/A GLU 238.A N LYS 234.A O no hydrogen 2.999 N/A LEU 239.A N LYS 235.A O no hydrogen 3.050 N/A LEU 240.A N VAL 236.A O no hydrogen 3.001 N/A GLY 241.A N GLU 238.A O no hydrogen 3.097 N/A