Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mys_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N THR 71.A OG1 no hydrogen 2.917 N/A HIS 4.A N SER 53.A OG no hydrogen 2.900 N/A HIS 4.A ND1 ASP 46.A OD2 no hydrogen 2.807 N/A GLN 6.A N TYR 44.A O no hydrogen 2.892 N/A LYS 8.A N ARG 42.A O no hydrogen 2.794 N/A GLY 10.A N SER 41.A OG no hydrogen 2.879 N/A LYS 11.A N ASP 39.A O no hydrogen 2.795 N/A LEU 14.A N LYS 11.A O no hydrogen 3.209 N/A TRP 16.A N ASP 79.A O no hydrogen 2.989 N/A LEU 17.A N SER 41.A O no hydrogen 2.777 N/A VAL 18.A N TRP 81.A O no hydrogen 2.839 N/A PHE 19.A N LEU 43.A O no hydrogen 2.864 N/A LEU 20.A N VAL 83.A O no hydrogen 2.782 N/A HIS 21.A ND1 GLY 22.A O no hydrogen 2.729 N/A SER 24.A N HIS 50.A NE2 no hydrogen 2.869 N/A SER 24.A OG PHE 23.A O no hydrogen 2.695 N/A GLY 25.A N GLY 22.A O no hydrogen 2.924 N/A CYS 27.A N ASP 46.A OD1 no hydrogen 2.721 N/A HIS 28.A N ASP 26.A OD1 no hydrogen 2.906 N/A GLU 29.A N ASP 26.A O no hydrogen 2.974 N/A TRP 30.A NE1 LEU 20.A O no hydrogen 3.013 N/A GLN 31.A N HIS 28.A O no hydrogen 3.114 N/A GLN 31.A NE2 GLN 6.A OE1 no hydrogen 2.885 N/A GLN 31.A NE2 CYS 27.A O no hydrogen 3.085 N/A GLY 34.A N TRP 30.A O no hydrogen 2.749 N/A GLU 35.A N GLN 31.A O no hydrogen 3.105 N/A ALA 36.A N VAL 33.A O no hydrogen 3.071 N/A PHE 37.A N GLY 34.A O no hydrogen 2.881 N/A TYR 40.A N PHE 37.A O no hydrogen 2.948 N/A SER 41.A N PRO 15.A O no hydrogen 3.354 N/A ARG 42.A N LYS 8.A O no hydrogen 2.816 N/A ARG 42.A NE GLU 35.A OE1 no hydrogen 2.857 N/A ARG 42.A NH1 GLU 35.A OE1 no hydrogen 3.275 N/A ARG 42.A NH1 GLU 35.A OE2 no hydrogen 2.761 N/A ARG 42.A NH2 TYR 40.A O no hydrogen 2.801 N/A LEU 43.A N LEU 17.A O no hydrogen 2.900 N/A TYR 44.A N GLN 6.A O no hydrogen 2.832 N/A TYR 44.A OH GLU 35.A OE1 no hydrogen 2.605 N/A VAL 45.A N PHE 19.A O no hydrogen 3.218 N/A ASP 46.A N HIS 4.A O no hydrogen 2.847 N/A LEU 47.A N HIS 21.A NE2 no hydrogen 2.930 N/A GLY 49.A N SER 53.A O no hydrogen 3.009 N/A HIS 50.A N LEU 47.A O no hydrogen 2.930 N/A HIS 50.A ND1 PRO 48.A O no hydrogen 2.865 N/A GLY 52.A N ASP 46.A OD2 no hydrogen 2.821 N/A SER 53.A N HIS 50.A O no hydrogen 2.828 N/A SER 53.A OG ASP 46.A O no hydrogen 2.737 N/A ALA 54.A N GLY 51.A O no hydrogen 3.242 N/A ILE 56.A N SER 53.A O no hydrogen 3.009 N/A ASP 59.A N ASP 63.A OD2 no hydrogen 2.804 N/A VAL 64.A N GLY 60.A O no hydrogen 3.322 N/A THR 65.A N PHE 61.A O no hydrogen 2.844 N/A THR 65.A OG1 PHE 61.A O no hydrogen 3.241 N/A THR 65.A OG1 GLN 98.A OE1 no hydrogen 2.764 N/A ASP 66.A N ASP 62.A O no hydrogen 3.032 N/A LEU 67.A N ASP 63.A O no hydrogen 2.973 N/A LEU 68.A N VAL 64.A O no hydrogen 2.853 N/A ARG 69.A N THR 65.A O no hydrogen 2.864 N/A ARG 69.A NE GLY 99.A O no hydrogen 3.033 N/A ARG 69.A NH2 GLY 99.A O no hydrogen 2.770 N/A LYS 70.A N ASP 66.A O no hydrogen 3.007 N/A LYS 70.A NZ ASP 66.A OD2 no hydrogen 2.601 N/A THR 71.A N LEU 67.A O no hydrogen 2.912 N/A THR 71.A OG1 LEU 67.A O no hydrogen 2.713 N/A LEU 72.A N LEU 68.A O no hydrogen 2.914 N/A VAL 73.A N ARG 69.A O no hydrogen 3.087 N/A SER 74.A N LYS 70.A O no hydrogen 3.006 N/A TYR 75.A N THR 71.A O no hydrogen 3.115 N/A ASN 76.A N VAL 73.A O no hydrogen 2.935 N/A ILE 77.A N LEU 72.A O no hydrogen 3.020 N/A PHE 80.A N GLY 102.A O no hydrogen 3.049 N/A TRP 81.A N TRP 16.A O no hydrogen 2.806 N/A LEU 82.A N GLY 105.A O no hydrogen 3.013 N/A VAL 83.A N VAL 18.A O no hydrogen 2.824 N/A GLY 84.A N ILE 107.A O no hydrogen 2.901 N/A TYR 85.A N LEU 20.A O no hydrogen 2.996 N/A SER 86.A N GLU 109.A O no hydrogen 2.843 N/A SER 86.A OG HIS 232.A NE2 no hydrogen 2.708 N/A GLY 88.A N TYR 85.A O no hydrogen 2.843 N/A ARG 90.A N SER 86.A O no hydrogen 2.989 N/A ARG 90.A NH1 THR 183.A O no hydrogen 2.978 N/A ARG 90.A NH1 GLN 188.A OE1 no hydrogen 2.851 N/A ARG 90.A NH2 THR 183.A O no hydrogen 2.969 N/A VAL 91.A N LEU 87.A O no hydrogen 2.851 N/A ALA 92.A N GLY 88.A O no hydrogen 2.905 N/A MET 93.A N GLY 89.A O no hydrogen 2.912 N/A MET 94.A N ARG 90.A O no hydrogen 2.886 N/A ALA 95.A N VAL 91.A O no hydrogen 2.898 N/A ALA 96.A N ALA 92.A O no hydrogen 2.894 N/A CYS 97.A N MET 93.A O no hydrogen 2.963 N/A CYS 97.A SG MET 93.A O no hydrogen 3.322 N/A CYS 97.A SG ASN 194.A OD1 no hydrogen 3.366 N/A GLN 98.A N MET 94.A O no hydrogen 2.961 N/A GLN 98.A NE2 ASP 62.A OD1 no hydrogen 2.793 N/A GLY 99.A N ALA 95.A O no hydrogen 2.848 N/A LEU 103.A N LEU 100.A O no hydrogen 3.198 N/A CYS 104.A N PHE 80.A O no hydrogen 2.803 N/A CYS 104.A SG ASP 79.A OD1 no hydrogen 3.865 N/A CYS 104.A SG PHE 80.A O no hydrogen 3.334 N/A VAL 106.A N ALA 201.A O no hydrogen 2.828 N/A ILE 107.A N LEU 82.A O no hydrogen 2.838 N/A VAL 108.A N TYR 203.A O no hydrogen 2.908 N/A GLU 109.A N GLY 84.A O no hydrogen 2.851 N/A GLY 110.A N LEU 205.A O no hydrogen 3.185 N/A GLY 114.A N HIS 112.A ND1 no hydrogen 2.936 N/A GLN 116.A N GLN 120.A OE1 no hydrogen 3.000 N/A GLN 116.A NE2 ASP 190.A OD2 no hydrogen 3.036 N/A GLN 120.A N ASN 117.A OD1 no hydrogen 2.843 N/A ARG 121.A N ASN 117.A O no hydrogen 3.129 N/A ARG 121.A NH1 ALA 186.A O no hydrogen 3.090 N/A ARG 121.A NH1 GLN 188.A O no hydrogen 2.746 N/A ARG 121.A NH2 GLN 188.A O no hydrogen 2.917 N/A ALA 122.A N ALA 118.A O no hydrogen 2.838 N/A GLU 123.A N GLU 119.A O no hydrogen 3.040 N/A ARG 124.A N GLN 120.A O no hydrogen 3.078 N/A GLN 125.A N ARG 121.A O no hydrogen 2.827 N/A ARG 126.A N ALA 122.A O no hydrogen 2.935 N/A SER 127.A N GLU 123.A O no hydrogen 2.942 N/A SER 127.A OG.B GLU 123.A O no hydrogen 3.380 N/A SER 127.A OG.B ARG 124.A O no hydrogen 3.106 N/A ASP 128.A N ARG 124.A O no hydrogen 2.808 N/A ARG 129.A N GLN 125.A O no hydrogen 2.917 N/A GLN 130.A N ARG 126.A O no hydrogen 3.056 N/A TRP 131.A N SER 127.A O no hydrogen 2.983 N/A VAL 132.A N ASP 128.A O no hydrogen 2.838 N/A GLN 133.A N ARG 129.A O no hydrogen 3.111 N/A ARG 134.A N GLN 130.A O no hydrogen 3.126 N/A ARG 134.A NE GLU 138.A OE1 no hydrogen 3.276 N/A ARG 134.A NE GLU 138.A OE2 no hydrogen 3.066 N/A ARG 134.A NH1 ASP 146.A OD2 no hydrogen 2.998 N/A ARG 134.A NH2 GLU 138.A OE1 no hydrogen 3.024 N/A ARG 134.A NH2 ASP 146.A OD2 no hydrogen 2.931 N/A PHE 135.A N TRP 131.A O no hydrogen 2.851 N/A LEU 136.A N VAL 132.A O no hydrogen 2.996 N/A LEU 136.A N GLN 133.A O no hydrogen 3.245 N/A THR 137.A N ARG 134.A O no hydrogen 3.075 N/A THR 137.A OG1 GLN 133.A O no hydrogen 2.694 N/A GLU 138.A N ARG 134.A O no hydrogen 2.958 N/A ALA 142.A N PRO 139.A O no hydrogen 2.942 N/A VAL 143.A N PRO 139.A O no hydrogen 3.065 N/A PHE 144.A N LEU 140.A O no hydrogen 2.801 N/A ALA 145.A N THR 141.A O no hydrogen 3.190 N/A ASP 146.A N ALA 142.A O no hydrogen 3.399 N/A ASP 146.A N VAL 143.A O no hydrogen 3.136 N/A TRP 147.A N VAL 143.A O no hydrogen 2.841 N/A TYR 148.A N PHE 144.A O no hydrogen 3.008 N/A GLN 149.A N ASP 146.A O no hydrogen 2.910 N/A GLN 149.A NE2 ALA 145.A O no hydrogen 3.061 N/A GLN 150.A N TRP 147.A O no hydrogen 3.239 N/A GLN 150.A NE2 TRP 147.A O no hydrogen 3.003 N/A PHE 153.A N GLN 150.A O no hydrogen 2.771 N/A ALA 154.A N PRO 151.A O no hydrogen 3.033 N/A LEU 156.A N PHE 153.A O no hydrogen 3.151 N/A ASN 157.A N GLN 160.A OE1 no hydrogen 2.939 N/A GLN 160.A N ASN 157.A OD1 no hydrogen 2.854 N/A GLN 160.A NE2 GLU 237.A OE2 no hydrogen 3.086 N/A ARG 161.A N ASN 157.A O no hydrogen 2.995 N/A ARG 161.A NE TYR 148.A O no hydrogen 2.765 N/A ARG 161.A NH1 ASP 158.A OD1 no hydrogen 3.114 N/A ARG 161.A NH2 PHE 153.A O no hydrogen 2.958 N/A ARG 161.A NH2 ALA 154.A O no hydrogen 3.177 N/A ARG 162.A N ASP 158.A O no hydrogen 2.921 N/A GLU 163.A N ASP 159.A O no hydrogen 3.080 N/A LEU 164.A N GLN 160.A O no hydrogen 2.962 N/A VAL 165.A N ARG 161.A O no hydrogen 2.824 N/A ALA 166.A N ARG 162.A O no hydrogen 3.104 N/A LEU 167.A N GLU 163.A O no hydrogen 3.020 N/A ARG 168.A N LEU 164.A O no hydrogen 2.854 N/A ARG 168.A NE TYR 148.A OH no hydrogen 2.905 N/A ARG 168.A NH1 GLU 29.A OE1 no hydrogen 3.006 N/A ARG 168.A NH2 GLU 29.A OE1 no hydrogen 2.942 N/A SER 169.A N VAL 165.A O no hydrogen 3.011 N/A SER 169.A OG ALA 166.A O no hydrogen 2.906 N/A ASN 170.A N LEU 167.A O no hydrogen 3.256 N/A ASN 171.A ND2 SER 24.A O no hydrogen 2.846 N/A ASN 171.A ND2 ARG 168.A O no hydrogen 2.815 N/A THR 175.A N ASN 172.A OD1 no hydrogen 3.124 N/A THR 175.A OG1 GLY 49.A O no hydrogen 2.854 N/A THR 175.A OG1 ASN 172.A O no hydrogen 3.379 N/A LEU 176.A N ASN 172.A O no hydrogen 2.924 N/A ALA 177.A N GLY 173.A O no hydrogen 2.933 N/A ALA 178.A N ALA 174.A O no hydrogen 3.052 N/A MET 179.A N THR 175.A O no hydrogen 3.051 N/A LEU 180.A N LEU 176.A O no hydrogen 2.813 N/A GLU 181.A N ALA 177.A O no hydrogen 3.203 N/A ALA 182.A N ALA 178.A O no hydrogen 3.040 N/A THR 183.A N MET 179.A O no hydrogen 3.041 N/A THR 183.A OG1 MET 179.A O no hydrogen 2.910 N/A SER 184.A N GLU 181.A O no hydrogen 3.315 N/A SER 184.A OG ASP 128.A OD2 no hydrogen 2.638 N/A ALA 186.A N SER 184.A OG no hydrogen 3.062 N/A VAL 187.A N SER 184.A O no hydrogen 2.948 N/A GLN 188.A N LEU 185.A O no hydrogen 3.159 N/A GLN 188.A NE2 HIS 112.A O no hydrogen 3.056 N/A GLN 188.A NE2 PRO 189.A O no hydrogen 3.623 N/A LEU 191.A N PRO 113.A O no hydrogen 2.875 N/A ARG 192.A N ASP 190.A OD1 no hydrogen 3.056 N/A ARG 192.A NE GLU 219.A OE1 no hydrogen 3.017 N/A ARG 192.A NH1 GLY 114.A O no hydrogen 2.777 N/A ARG 192.A NH1 ASP 190.A OD1 no hydrogen 2.776 N/A ARG 192.A NH2 GLY 114.A O no hydrogen 3.368 N/A ARG 192.A NH2 GLU 219.A OE1 no hydrogen 3.037 N/A LEU 195.A N LEU 191.A O no hydrogen 2.790 N/A SER 196.A N ARG 192.A O no hydrogen 2.950 N/A SER 196.A OG ARG 192.A O no hydrogen 3.059 N/A ALA 197.A N ASN 194.A O no hydrogen 3.027 N/A ARG 198.A N LEU 195.A O no hydrogen 3.340 N/A ARG 198.A NH1 LEU 195.A O no hydrogen 3.224 N/A ARG 198.A NH1 ALA 221.A O no hydrogen 2.580 N/A ARG 198.A NH2 ALA 221.A O no hydrogen 2.566 N/A ALA 201.A N CYS 104.A O no hydrogen 3.443 N/A TYR 203.A N VAL 106.A O no hydrogen 2.908 N/A TYR 204.A N ASP 223.A O no hydrogen 2.932 N/A TYR 204.A OH GLY 111.A O no hydrogen 2.667 N/A LEU 205.A N VAL 108.A O no hydrogen 2.764 N/A CYS 206.A N HIS 225.A O no hydrogen 3.000 N/A CYS 206.A SG GLY 207.A O no hydrogen 3.578 N/A CYS 206.A SG ASP 210.A O no hydrogen 3.705 N/A GLU 208.A N ILE 227.A O no hydrogen 2.870 N/A ARG 209.A N ALA 230.A O no hydrogen 2.875 N/A ASP 210.A N GLY 207.A O no hydrogen 3.034 N/A PHE 213.A N ASP 210.A OD1 no hydrogen 3.346 N/A ARG 214.A N ASP 210.A O no hydrogen 3.022 N/A ARG 214.A NH1 GLU 208.A O no hydrogen 2.995 N/A ALA 215.A N SER 211.A O no hydrogen 3.298 N/A LEU 216.A N LYS 212.A O no hydrogen 3.253 N/A ALA 217.A N PHE 213.A O no hydrogen 3.021 N/A GLU 219.A N LEU 216.A O no hydrogen 2.976 N/A LEU 220.A N ALA 217.A O no hydrogen 3.064 N/A CYS 224.A SG TYR 204.A O no hydrogen 3.815 N/A HIS 225.A N TYR 204.A O no hydrogen 2.773 N/A ILE 227.A N CYS 206.A O no hydrogen 2.793 N/A ARG 229.A N GLU 208.A OE1 no hydrogen 3.017 N/A GLY 231.A N GLU 237.A OE1 no hydrogen 2.897 N/A HIS 232.A ND1 ASP 210.A OD2 no hydrogen 2.650 N/A HIS 232.A NE2 SER 86.A OG no hydrogen 2.708 N/A ASN 233.A ND2 GLU 29.A OE2 no hydrogen 3.076 N/A HIS 235.A N GLU 109.A OE2 no hydrogen 2.768 N/A HIS 235.A ND1 GLU 109.A OE1 no hydrogen 2.529 N/A HIS 235.A NE2 GLU 29.A OE2 no hydrogen 2.663 N/A ARG 236.A N ASN 233.A OD1 no hydrogen 3.011 N/A GLU 237.A N ASN 233.A O no hydrogen 3.296 N/A ASN 238.A N ALA 234.A O no hydrogen 2.748 N/A ASN 238.A ND2 PRO 228.A O no hydrogen 2.858 N/A GLY 241.A N ASN 238.A OD1 no hydrogen 2.902 N/A VAL 242.A N ASN 238.A O no hydrogen 3.107 N/A ILE 243.A N PRO 239.A O no hydrogen 2.856 N/A ALA 244.A N ALA 240.A O no hydrogen 3.025 N/A SER 245.A N GLY 241.A O no hydrogen 3.064 N/A SER 245.A OG GLY 241.A O no hydrogen 3.287 N/A LEU 246.A N VAL 242.A O no hydrogen 2.827 N/A ALA 247.A N ILE 243.A O no hydrogen 2.856 N/A GLN 248.A N ALA 244.A O no hydrogen 3.046 N/A ILE 249.A N SER 245.A O no hydrogen 3.028 N/A LEU 250.A N LEU 246.A O no hydrogen 2.873 N/A ARG 251.A N ALA 247.A O no hydrogen 3.061 N/A