Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mg8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 65.A OD1 no hydrogen 3.307 N/A SER 5.A N LEU 2.A O no hydrogen 2.790 N/A THR 7.A N GLN 10.A OE1 no hydrogen 2.897 N/A GLN 10.A N THR 7.A OG1 no hydrogen 3.104 N/A MET 11.A N THR 7.A O no hydrogen 2.943 N/A VAL 12.A N ALA 8.A O no hydrogen 3.077 N/A SER 13.A N ASP 9.A O no hydrogen 3.031 N/A SER 13.A OG ASP 9.A O no hydrogen 3.024 N/A ALA 14.A N GLN 10.A O no hydrogen 2.966 N/A LEU 15.A N MET 11.A O no hydrogen 3.007 N/A LEU 16.A N VAL 12.A O no hydrogen 2.878 N/A ASP 17.A N SER 13.A O no hydrogen 2.869 N/A ALA 18.A N ALA 14.A O no hydrogen 3.041 N/A ALA 18.A N LEU 15.A O no hydrogen 3.130 N/A GLU 19.A N LEU 16.A O no hydrogen 3.258 N/A SER 25.A N ASN 102.A OD1 no hydrogen 2.946 N/A SER 25.A OG.A ASN 102.A OD1 no hydrogen 2.877 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 2.575 N/A TYR 27.A N SER 25.A OG.B no hydrogen 3.016 N/A THR 30.A N ASP 28.A OD1 no hydrogen 3.434 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 2.616 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 2.830 N/A ARG 31.A N ASP 28.A O no hydrogen 2.896 N/A SER 34.A N SER 37.A OG no hydrogen 3.104 N/A SER 34.A OG SER 37.A OG no hydrogen 3.379 N/A SER 37.A N SER 34.A OG no hydrogen 3.016 N/A SER 37.A OG SER 34.A O no hydrogen 3.255 N/A SER 37.A OG SER 34.A OG no hydrogen 3.379 N/A MET 38.A N SER 34.A O no hydrogen 3.103 N/A MET 39.A N GLU 35.A O no hydrogen 3.201 N/A GLY 40.A N ALA 36.A O no hydrogen 2.923 N/A LEU 41.A N SER 37.A O no hydrogen 2.826 N/A LEU 42.A N MET 38.A O no hydrogen 2.948 N/A THR 43.A N MET 39.A O no hydrogen 3.056 N/A THR 43.A OG1 MET 39.A O no hydrogen 2.659 N/A THR 43.A OG1 GLY 40.A O no hydrogen 3.276 N/A ASN 44.A N GLY 40.A O no hydrogen 3.010 N/A LEU 45.A N LEU 41.A O no hydrogen 2.984 N/A ALA 46.A N LEU 42.A O no hydrogen 2.879 N/A ASP 47.A N THR 43.A O no hydrogen 2.878 N/A ARG 48.A N ASN 44.A O no hydrogen 3.060 N/A ARG 48.A NE.A ASN 44.A OD1 no hydrogen 2.600 N/A ARG 48.A NH1.A TYR 24.A O no hydrogen 3.276 N/A ARG 48.A NH1.A ASN 44.A OD1 no hydrogen 2.724 N/A ARG 48.A NH2.A TYR 24.A O no hydrogen 2.618 N/A GLU 49.A N LEU 45.A O no hydrogen 2.821 N/A LEU 50.A N ALA 46.A O no hydrogen 2.807 N/A MET 53.A N GLU 49.A O no hydrogen 2.835 N/A ILE 54.A N LEU 50.A O no hydrogen 2.928 N/A ASN 55.A N VAL 51.A O no hydrogen 3.333 N/A ASN 55.A ND2.A VAL 51.A O no hydrogen 2.828 N/A TRP 56.A N HIS 52.A O no hydrogen 2.789 N/A ALA 57.A N MET 53.A O no hydrogen 2.827 N/A LYS 58.A N ILE 54.A O no hydrogen 3.404 N/A ARG 59.A N TRP 56.A O no hydrogen 2.794 N/A VAL 60.A N ALA 57.A O no hydrogen 3.070 N/A PHE 63.A N VAL 60.A O no hydrogen 2.960 N/A ASP 65.A N GLY 62.A O no hydrogen 3.074 N/A LEU 66.A N PHE 63.A O no hydrogen 3.119 N/A ASP 70.A N THR 67.A OG1 no hydrogen 3.198 N/A GLN 71.A N THR 67.A O no hydrogen 3.001 N/A GLN 71.A NE2 LEU 66.A O no hydrogen 2.712 N/A VAL 72.A N LEU 68.A O no hydrogen 2.911 N/A HIS 73.A N HIS 69.A O no hydrogen 3.086 N/A HIS 73.A NE2 GLY 151.A O no hydrogen 2.985 N/A HIS 73.A NE2 THR 154.A OG1 no hydrogen 2.946 N/A LEU 74.A N ASP 70.A O no hydrogen 3.114 N/A LEU 75.A N GLN 71.A O no hydrogen 3.097 N/A GLU 76.A N VAL 72.A O no hydrogen 2.877 N/A ILE 81.A N ALA 77.A O no hydrogen 2.991 N/A LEU 82.A N TRP 78.A O no hydrogen 3.031 N/A MET 83.A N LEU 79.A O no hydrogen 2.827 N/A ILE 84.A N GLU 80.A O no hydrogen 2.939 N/A GLY 85.A N ILE 81.A O no hydrogen 3.260 N/A LEU 86.A N LEU 82.A O no hydrogen 2.919 N/A VAL 87.A N MET 83.A O no hydrogen 2.924 N/A TRP 88.A N ILE 84.A O no hydrogen 2.915 N/A ARG 89.A N GLY 85.A O no hydrogen 2.917 N/A ARG 89.A NE LEU 98.A O no hydrogen 2.967 N/A ARG 89.A NH1 GLU 49.A OE2 no hydrogen 3.091 N/A ARG 89.A NH2 GLU 49.A OE1 no hydrogen 3.272 N/A ARG 89.A NH2 PHE 99.A O no hydrogen 2.899 N/A SER 90.A N LEU 86.A O no hydrogen 2.969 N/A SER 90.A N VAL 87.A O no hydrogen 3.196 N/A SER 90.A OG LEU 86.A O no hydrogen 2.570 N/A MET 91.A N TRP 88.A O no hydrogen 3.290 N/A HIS 93.A N SER 90.A O no hydrogen 2.900 N/A LYS 96.A N HIS 93.A O no hydrogen 2.845 N/A LEU 97.A N LEU 105.A O no hydrogen 2.854 N/A LEU 98.A N SER 90.A OG no hydrogen 2.827 N/A PHE 99.A N LEU 97.A O no hydrogen 3.136 N/A ALA 100.A N LEU 103.A O no hydrogen 3.242 N/A ASN 102.A ND2 SER 25.A O no hydrogen 2.735 N/A LEU 103.A N ALA 100.A O no hydrogen 2.820 N/A LEU 105.A N LEU 97.A O no hydrogen 3.105 N/A ARG 107.A NE ASP 120.A OD2 no hydrogen 2.809 N/A ARG 107.A NH2 ASP 120.A OD1 no hydrogen 2.919 N/A ARG 107.A NH2 ASP 120.A OD2 no hydrogen 3.566 N/A GLN 109.A N ASP 106.A OD2 no hydrogen 3.178 N/A GLN 109.A NE2 ASP 106.A OD2 no hydrogen 3.419 N/A GLY 110.A N ASP 106.A O no hydrogen 3.172 N/A LYS 111.A N ASN 108.A O no hydrogen 3.292 N/A LYS 111.A NZ ASN 108.A OD1 no hydrogen 3.445 N/A GLU 113.A N GLU 35.A OE1 no hydrogen 3.251 N/A MET 115.A N VAL 112.A O no hydrogen 3.150 N/A PHE 119.A N MET 115.A O no hydrogen 2.996 N/A ASP 120.A N VAL 116.A O no hydrogen 2.977 N/A MET 121.A N GLU 117.A O no hydrogen 3.224 N/A LEU 122.A N ILE 118.A O no hydrogen 3.039 N/A LEU 123.A N PHE 119.A O no hydrogen 2.864 N/A ALA 124.A N ASP 120.A O no hydrogen 2.986 N/A THR 125.A N MET 121.A O no hydrogen 3.064 N/A THR 125.A OG1 MET 121.A O no hydrogen 2.864 N/A SER 126.A N LEU 122.A O no hydrogen 3.003 N/A SER 126.A OG.A VAL 87.A O no hydrogen 3.256 N/A SER 126.A OG.B LEU 122.A O no hydrogen 3.314 N/A SER 126.A OG.B LEU 123.A O no hydrogen 2.560 N/A SER 127.A N LEU 123.A O no hydrogen 2.969 N/A SER 127.A OG LEU 123.A O no hydrogen 2.839 N/A ARG 128.A N ALA 124.A O no hydrogen 2.908 N/A PHE 129.A N THR 125.A O no hydrogen 2.835 N/A ARG 130.A N SER 126.A O no hydrogen 2.916 N/A ARG 130.A NE MET 91.A O no hydrogen 2.542 N/A ARG 130.A NH2 MET 91.A O no hydrogen 2.779 N/A MET 131.A N SER 127.A O no hydrogen 2.782 N/A MET 132.A N ARG 128.A O no hydrogen 2.955 N/A ASN 133.A N ARG 130.A O no hydrogen 2.972 N/A LEU 134.A N PHE 129.A O no hydrogen 3.060 N/A GLN 135.A N GLU 138.A OE1 no hydrogen 2.966 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.764 N/A PHE 139.A N GLN 135.A O no hydrogen 2.925 N/A VAL 140.A N GLY 136.A O no hydrogen 3.068 N/A CYS 141.A N GLU 137.A O no hydrogen 3.400 N/A CYS 141.A SG GLU 137.A O no hydrogen 3.458 N/A LEU 142.A N GLU 138.A O no hydrogen 2.963 N/A LYS 143.A N PHE 139.A O no hydrogen 2.958 N/A LYS 143.A NZ GLU 19.A OE1 no hydrogen 2.606 N/A LYS 143.A NZ GLU 19.A OE2 no hydrogen 3.376 N/A SER 144.A N VAL 140.A O no hydrogen 3.129 N/A SER 144.A OG VAL 140.A O no hydrogen 3.517 N/A ILE 145.A N CYS 141.A O no hydrogen 2.869 N/A ILE 146.A N LEU 142.A O no hydrogen 3.020 N/A LEU 147.A N LYS 143.A O no hydrogen 3.218 N/A LEU 148.A N SER 144.A O no hydrogen 3.136 N/A ASN 149.A N ILE 145.A O no hydrogen 2.769 N/A SER 150.A N ILE 146.A O no hydrogen 3.009 N/A SER 150.A OG GLU 80.A OE1 no hydrogen 2.741 N/A SER 150.A OG GLU 80.A OE2 no hydrogen 3.441 N/A SER 150.A OG ILE 146.A O no hydrogen 3.237 N/A VAL 152.A N ASN 149.A O no hydrogen 3.088 N/A THR 154.A N GLY 151.A O no hydrogen 3.159 N/A THR 154.A OG1 HIS 73.A NE2 no hydrogen 2.946 N/A THR 154.A OG1 GLY 151.A O no hydrogen 3.334 N/A GLU 162.A N LYS 159.A O no hydrogen 2.832 N/A ASP 165.A N LEU 161.A O no hydrogen 3.167 N/A HIS 166.A N GLU 162.A O no hydrogen 3.270 N/A HIS 166.A NE2 ASP 65.A OD1 no hydrogen 3.118 N/A HIS 168.A N LYS 164.A O no hydrogen 3.205 N/A ARG 169.A N ASP 165.A O no hydrogen 3.167 N/A VAL 170.A N HIS 166.A O no hydrogen 3.089 N/A LEU 171.A N ILE 167.A O no hydrogen 2.865 N/A ASP 172.A N HIS 168.A O no hydrogen 2.992 N/A LYS 173.A N ARG 169.A O no hydrogen 3.098 N/A ILE 174.A N VAL 170.A O no hydrogen 3.015 N/A THR 175.A N LEU 171.A O no hydrogen 2.983 N/A THR 175.A OG1 LEU 171.A O no hydrogen 3.209 N/A ASP 176.A N ASP 172.A O no hydrogen 2.934 N/A THR 177.A N LYS 173.A O no hydrogen 2.943 N/A THR 177.A OG1 LYS 173.A O no hydrogen 2.848 N/A LEU 178.A N ILE 174.A O no hydrogen 2.838 N/A ILE 179.A N THR 175.A O no hydrogen 3.008 N/A HIS 180.A N ASP 176.A O no hydrogen 2.936 N/A HIS 180.A NE2 ASP 9.A OD1 no hydrogen 3.060 N/A LEU 181.A N THR 177.A O no hydrogen 2.970 N/A MET 182.A N LEU 178.A O no hydrogen 3.129 N/A ALA 183.A N ILE 179.A O no hydrogen 2.858 N/A LYS 184.A N HIS 180.A O no hydrogen 2.929 N/A ALA 185.A N LEU 181.A O no hydrogen 2.990 N/A ALA 185.A N MET 182.A O no hydrogen 3.040 N/A GLY 186.A N ALA 183.A O no hydrogen 3.078 N/A LEU 187.A N MET 182.A O no hydrogen 3.175 N/A THR 188.A N GLN 191.A OE1 no hydrogen 2.871 N/A GLN 191.A N THR 188.A OG1 no hydrogen 3.128 N/A GLN 192.A N THR 188.A O no hydrogen 2.809 N/A GLN 192.A NE2 LEU 187.A O no hydrogen 2.906 N/A HIS 193.A N.A LEU 189.A O no hydrogen 3.121 N/A HIS 193.A N.B LEU 189.A O no hydrogen 3.140 N/A GLN 194.A N GLN 190.A O no hydrogen 3.080 N/A ARG 195.A N GLN 191.A O no hydrogen 2.888 N/A ARG 195.A NE GLU 138.A OE2 no hydrogen 2.811 N/A ARG 195.A NH1 MET 132.A O no hydrogen 2.848 N/A ARG 195.A NH2 MET 132.A O no hydrogen 2.974 N/A ARG 195.A NH2 ASN 133.A O no hydrogen 3.322 N/A ARG 195.A NH2 GLU 138.A OE1 no hydrogen 2.838 N/A LEU 196.A N GLN 192.A O no hydrogen 2.948 N/A ALA 197.A N HIS 193.A O.A no hydrogen 3.044 N/A ALA 197.A N HIS 193.A O.B no hydrogen 3.107 N/A GLN 198.A N GLN 194.A O no hydrogen 2.972 N/A LEU 199.A N ARG 195.A O no hydrogen 2.889 N/A LEU 200.A N LEU 196.A O no hydrogen 2.988 N/A LEU 201.A N ALA 197.A O no hydrogen 2.840 N/A ILE 202.A N LEU 199.A O no hydrogen 3.280 N/A LEU 203.A N LEU 200.A O no hydrogen 3.078 N/A SER 204.A N LEU 201.A O no hydrogen 3.123 N/A HIS 205.A NE2.A MET 121.A O no hydrogen 3.332 N/A ILE 206.A N ILE 202.A O no hydrogen 2.968 N/A ARG 207.A N LEU 203.A O no hydrogen 2.943 N/A ARG 207.A NH1 SER 150.A O no hydrogen 3.070 N/A ARG 207.A NH2 SER 150.A O no hydrogen 3.044 N/A HIS 208.A N SER 204.A O no hydrogen 3.103 N/A MET 209.A N HIS 205.A O no hydrogen 2.961 N/A SER 210.A N ILE 206.A O no hydrogen 2.946 N/A ASN 211.A N ARG 207.A O no hydrogen 2.852 N/A LYS 212.A N HIS 208.A O no hydrogen 2.938 N/A GLY 213.A N MET 209.A O no hydrogen 2.740 N/A MET 214.A N SER 210.A O no hydrogen 2.848 N/A GLU 215.A N ASN 211.A O no hydrogen 3.234 N/A HIS 216.A N LYS 212.A O no hydrogen 2.995 N/A HIS 216.A NE2 GLU 113.A O no hydrogen 2.903 N/A LEU 217.A N GLY 213.A O no hydrogen 2.854 N/A TYR 218.A N MET 214.A O no hydrogen 3.018 N/A SER 219.A N GLU 215.A O no hydrogen 3.109 N/A SER 219.A OG HIS 216.A O no hydrogen 2.673 N/A MET 220.A N HIS 216.A O no hydrogen 2.996 N/A LYS 221.A N LEU 217.A O no hydrogen 2.909 N/A CYS 222.A N TYR 218.A O no hydrogen 2.966 N/A CYS 222.A SG TYR 218.A O no hydrogen 3.391 N/A LYS 223.A N SER 219.A O no hydrogen 2.814 N/A ASN 224.A N MET 220.A O no hydrogen 2.842 N/A SER 229.A OG ASP 47.A OD2 no hydrogen 2.776 N/A LEU 232.A N SER 229.A OG no hydrogen 3.068 N/A LEU 233.A N SER 229.A O no hydrogen 2.985 N/A GLU 234.A N ASP 230.A O no hydrogen 3.016 N/A MET 235.A N LEU 231.A O no hydrogen 2.934 N/A LEU 236.A N LEU 232.A O no hydrogen 2.899 N/A ASP 237.A N LEU 233.A O no hydrogen 2.825 N/A ALA 238.A N GLU 234.A O no hydrogen 3.018 N/A ALA 238.A N MET 235.A O no hydrogen 3.176 N/A HIS 239.A N LEU 236.A O no hydrogen 2.993 N/A HIS 239.A NE2 GLU 76.A O no hydrogen 2.799 N/A ARG 240.A N ASP 237.A O no hydrogen 3.102 N/A