Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mc3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLN 228.A OE1 no hydrogen 2.721 N/A ASN 15.A N ALA 54.A O no hydrogen 3.018 N/A ASN 15.A ND2 TRP 57.A O no hydrogen 2.775 N/A ASN 15.A ND2 ALA 60.A O no hydrogen 2.904 N/A HIS 17.A N ASN 15.A OD1 no hydrogen 2.722 N/A ALA 21.A N HIS 17.A O no hydrogen 2.921 N/A SER 22.A N LEU 18.A O no hydrogen 2.803 N/A SER 22.A OG ASP 50.A OD2 no hydrogen 2.568 N/A ARG 23.A N GLU 19.A O no hydrogen 3.164 N/A ALA 24.A N GLU 20.A O no hydrogen 3.155 N/A MET 25.A N ALA 21.A O no hydrogen 2.827 N/A TRP 26.A N SER 22.A O no hydrogen 2.976 N/A GLU 27.A N ARG 23.A O no hydrogen 3.018 N/A TRP 28.A N ALA 24.A O no hydrogen 3.054 N/A ILE 29.A N MET 25.A O no hydrogen 2.855 N/A ASP 30.A N TRP 26.A O no hydrogen 2.837 N/A ALA 31.A N GLU 27.A O no hydrogen 2.928 N/A ASN 32.A N TRP 28.A O no hydrogen 2.959 N/A ASN 32.A N ILE 29.A O no hydrogen 3.260 N/A GLY 33.A N ASP 30.A O no hydrogen 3.446 N/A LEU 34.A N ILE 29.A O no hydrogen 3.300 N/A ALA 40.A N THR 37.A OG1 no hydrogen 3.021 N/A ARG 41.A N THR 37.A O no hydrogen 2.904 N/A ARG 41.A NH1 GLU 38.A OE1 no hydrogen 2.496 N/A ASP 42.A N GLU 38.A O no hydrogen 2.753 N/A ARG 43.A N ARG 39.A O no hydrogen 2.907 N/A ARG 43.A NE ASP 80.A OD2 no hydrogen 3.275 N/A ARG 43.A NH2 ASP 80.A OD2 no hydrogen 3.169 N/A MET 44.A N ALA 40.A O no hydrogen 2.933 N/A ARG 45.A N ARG 41.A O no hydrogen 2.831 N/A ARG 45.A NH1 GLU 38.A OE2 no hydrogen 3.497 N/A ARG 45.A NH1 ASP 42.A OD1 no hydrogen 3.386 N/A ARG 45.A NH2 GLU 38.A OE2 no hydrogen 2.867 N/A ARG 46.A N ASP 42.A O no hydrogen 2.897 N/A ARG 46.A NH1 ASP 42.A OD2 no hydrogen 3.441 N/A THR 47.A N MET 44.A O no hydrogen 3.165 N/A THR 47.A OG1 MET 44.A O no hydrogen 2.957 N/A LEU 51.A N ASP 50.A OD1 no hydrogen 2.877 N/A SER 52.A N GLY 48.A O no hydrogen 2.858 N/A GLY 53.A N ALA 49.A O no hydrogen 3.108 N/A ALA 54.A N ASP 50.A O no hydrogen 3.032 N/A TYR 55.A N LEU 51.A O no hydrogen 3.119 N/A TYR 55.A N SER 52.A O no hydrogen 3.084 N/A VAL 56.A N SER 52.A O no hydrogen 2.925 N/A TRP 57.A N GLY 53.A O no hydrogen 2.913 N/A TRP 57.A NE1 LEU 168.A O no hydrogen 2.885 N/A ARG 59.A NE GLU 13.A OE1 no hydrogen 2.779 N/A ARG 59.A NH1 ASP 271.A OD2 no hydrogen 3.008 N/A ARG 59.A NH2 GLU 13.A OE1 no hydrogen 3.517 N/A ARG 59.A NH2 GLU 13.A OE2 no hydrogen 2.875 N/A ALA 60.A N TRP 57.A O no hydrogen 3.155 N/A THR 64.A N ASP 61.A OD2 no hydrogen 3.045 N/A THR 64.A OG1 ASP 61.A OD1 no hydrogen 2.761 N/A THR 64.A OG1 ASP 61.A OD2 no hydrogen 3.458 N/A LEU 65.A N ASP 61.A O no hydrogen 2.914 N/A THR 66.A N LEU 62.A O no hydrogen 2.858 N/A THR 66.A OG1 LEU 62.A O no hydrogen 2.786 N/A ILE 67.A N ASP 63.A O no hydrogen 3.081 N/A GLY 68.A N THR 64.A O no hydrogen 2.964 N/A LEU 69.A N LEU 65.A O no hydrogen 2.876 N/A LYS 70.A N THR 66.A O no hydrogen 3.101 N/A TRP 71.A N ILE 67.A O no hydrogen 3.199 N/A TRP 71.A NE1 THR 114.A OG1 no hydrogen 2.990 N/A ILE 72.A N GLY 68.A O no hydrogen 2.978 N/A ALA 73.A N LEU 69.A O no hydrogen 2.858 N/A LEU 74.A N LYS 70.A O no hydrogen 2.912 N/A THR 75.A N TRP 71.A O no hydrogen 2.941 N/A THR 75.A OG1 TRP 71.A O no hydrogen 3.192 N/A THR 75.A OG1 ILE 72.A O no hydrogen 3.075 N/A PHE 76.A N ILE 72.A O no hydrogen 2.925 N/A ARG 77.A N ALA 73.A O no hydrogen 3.082 N/A ARG 77.A NH1 ASP 80.A OD2 no hydrogen 3.447 N/A ILE 78.A N LEU 74.A O no hydrogen 2.903 N/A ASP 79.A N THR 75.A O no hydrogen 2.902 N/A ASP 80.A N PHE 76.A O no hydrogen 2.845 N/A GLN 81.A N ARG 77.A O no hydrogen 3.058 N/A ILE 82.A N ILE 78.A O no hydrogen 3.036 N/A ARG 86.A NH1 TYR 137.A O no hydrogen 2.848 N/A MET 87.A N LEU 83.A O no hydrogen 2.875 N/A THR 88.A N PRO 84.A O no hydrogen 2.953 N/A THR 88.A OG1 PRO 84.A O no hydrogen 2.733 N/A ALA 89.A N ALA 85.A O no hydrogen 3.012 N/A ILE 90.A N ARG 86.A O no hydrogen 2.852 N/A ASP 91.A N MET 87.A O no hydrogen 2.830 N/A GLU 92.A N THR 88.A O no hydrogen 3.183 N/A LEU 93.A N ALA 89.A O no hydrogen 3.098 N/A ARG 94.A N ILE 90.A O no hydrogen 2.865 N/A ARG 94.A NH1 GLN 135.A OE1 no hydrogen 2.730 N/A GLY 95.A N ASP 91.A O no hydrogen 2.952 N/A THR 96.A N GLU 92.A O no hydrogen 3.329 N/A THR 96.A N LEU 93.A O no hydrogen 3.024 N/A THR 96.A OG1 LEU 93.A O no hydrogen 2.795 N/A LEU 97.A N ARG 94.A O no hydrogen 3.091 N/A HIS 98.A N GLY 95.A O no hydrogen 2.930 N/A HIS 98.A NE2 GLU 131.A OE2 no hydrogen 2.749 N/A GLY 99.A N THR 96.A O no hydrogen 3.258 N/A LEU 100.A N GLY 95.A O no hydrogen 3.068 N/A THR 103.A OG1 GLN 81.A OE1 no hydrogen 2.536 N/A ALA 104.A N SER 101.A OG no hydrogen 3.195 N/A ARG 105.A N SER 101.A O no hydrogen 3.003 N/A ALA 106.A N PRO 102.A O no hydrogen 3.037 N/A LEU 107.A N THR 103.A O no hydrogen 2.916 N/A GLY 108.A N ALA 104.A O no hydrogen 3.001 N/A ALA 109.A N ARG 105.A O no hydrogen 3.077 N/A LEU 110.A N ALA 106.A O no hydrogen 2.871 N/A TRP 111.A N LEU 107.A O no hydrogen 2.857 N/A GLN 112.A N GLY 108.A O no hydrogen 3.053 N/A GLU 113.A N ALA 109.A O no hydrogen 3.051 N/A THR 114.A N LEU 110.A O no hydrogen 2.924 N/A THR 114.A OG1 LEU 110.A O no hydrogen 2.801 N/A ALA 115.A N TRP 111.A O no hydrogen 2.881 N/A LEU 116.A N GLN 112.A O no hydrogen 3.198 N/A ARG 118.A N ALA 115.A O no hydrogen 3.023 N/A ARG 118.A NH1 THR 114.A O no hydrogen 2.941 N/A TRP 122.A NE1 ASP 170.A O no hydrogen 2.800 N/A CYS 123.A N PRO 119.A O no hydrogen 2.996 N/A CYS 123.A SG ALA 115.A O no hydrogen 3.935 N/A CYS 123.A SG ARG 118.A O no hydrogen 3.636 N/A CYS 123.A SG PRO 119.A O no hydrogen 3.502 N/A ASP 124.A N ALA 120.A O no hydrogen 2.907 N/A ALA 125.A N THR 121.A O no hydrogen 3.083 N/A PHE 126.A N TRP 122.A O no hydrogen 2.898 N/A ILE 127.A N CYS 123.A O no hydrogen 2.920 N/A GLY 128.A N ASP 124.A O no hydrogen 2.998 N/A HIS 129.A N ALA 125.A O no hydrogen 2.981 N/A HIS 129.A ND1 ASP 170.A OD2 no hydrogen 2.570 N/A PHE 130.A N PHE 126.A O no hydrogen 2.792 N/A GLU 131.A N ILE 127.A O no hydrogen 2.815 N/A ALA 132.A N GLY 128.A O no hydrogen 2.928 N/A PHE 133.A N HIS 129.A O no hydrogen 3.050 N/A LEU 134.A N PHE 130.A O no hydrogen 2.908 N/A GLN 135.A N GLU 131.A O no hydrogen 2.893 N/A THR 136.A N ALA 132.A O no hydrogen 3.245 N/A THR 136.A N PHE 133.A O no hydrogen 3.204 N/A THR 136.A OG1 PHE 133.A O no hydrogen 2.703 N/A TYR 137.A N LEU 134.A O no hydrogen 3.129 N/A TYR 137.A OH ASP 79.A OD1 no hydrogen 2.563 N/A THR 139.A N GLN 135.A O no hydrogen 2.902 N/A THR 139.A OG1 GLN 135.A O no hydrogen 3.363 N/A GLU 140.A N THR 136.A O no hydrogen 3.004 N/A ALA 141.A N TYR 137.A O no hydrogen 3.336 N/A GLY 142.A N THR 138.A O no hydrogen 3.090 N/A LEU 143.A N THR 139.A O no hydrogen 2.999 N/A ASN 144.A N GLU 140.A O no hydrogen 3.020 N/A ALA 145.A N GLY 142.A O no hydrogen 3.115 N/A HIS 146.A N LEU 143.A O no hydrogen 3.056 N/A ARG 151.A NE ASP 153.A OD1 no hydrogen 3.000 N/A ARG 151.A NH2 ASP 153.A OD1 no hydrogen 3.390 N/A ARG 151.A NH2 ASP 153.A OD2 no hydrogen 2.888 N/A ASP 154.A N ASP 153.A OD1 no hydrogen 2.809 N/A TYR 155.A N ARG 151.A O no hydrogen 2.990 N/A TYR 155.A OH ASP 206.A OD2 no hydrogen 2.548 N/A TYR 155.A OH HIS 213.A O no hydrogen 3.342 N/A LEU 156.A N LEU 152.A O no hydrogen 2.875 N/A ASP 157.A N ASP 153.A O no hydrogen 3.116 N/A ARG 158.A N ASP 154.A O no hydrogen 3.198 N/A ARG 158.A NE GLU 140.A OE2 no hydrogen 3.002 N/A ARG 159.A N TYR 155.A O no hydrogen 2.736 N/A ARG 159.A NE ASP 206.A OD1 no hydrogen 3.213 N/A ARG 159.A NH1 SER 162.A OG no hydrogen 3.266 N/A ARG 159.A NH2 ALA 202.A O no hydrogen 3.371 N/A ARG 159.A NH2 ASP 206.A OD1 no hydrogen 3.037 N/A MET 160.A N LEU 156.A O no hydrogen 3.133 N/A TYR 161.A N ARG 158.A O no hydrogen 2.974 N/A SER 162.A N ARG 158.A O no hydrogen 2.896 N/A SER 162.A OG ARG 159.A O no hydrogen 3.544 N/A VAL 163.A N ARG 159.A O no hydrogen 3.118 N/A GLY 164.A N TYR 161.A O no hydrogen 2.989 N/A LEU 168.A N GLY 164.A O no hydrogen 3.046 N/A TRP 169.A N MET 165.A O no hydrogen 2.795 N/A ASP 170.A N PRO 166.A O no hydrogen 3.072 N/A LEU 171.A N TRP 167.A O no hydrogen 3.247 N/A ASP 172.A N TRP 169.A O no hydrogen 2.895 N/A GLU 173.A N ASP 170.A O no hydrogen 3.121 N/A LEU 174.A N LEU 171.A O no hydrogen 3.102 N/A ARG 175.A N ASP 172.A O no hydrogen 3.117 N/A ARG 175.A NE ASP 172.A OD1 no hydrogen 2.831 N/A ARG 175.A NE ASP 172.A OD2 no hydrogen 3.441 N/A ARG 175.A NH1 ASP 271.A OD2 no hydrogen 2.759 N/A ARG 175.A NH2 ASP 172.A OD2 no hydrogen 2.873 N/A ARG 175.A NH2 ASP 271.A O no hydrogen 3.438 N/A ARG 175.A NH2 ASP 271.A OD2 no hydrogen 3.063 N/A LEU 176.A N GLU 173.A O no hydrogen 3.209 N/A LEU 180.A N GLU 173.A OE1 no hydrogen 2.859 N/A SER 183.A OG GLN 259.A OE1 no hydrogen 2.444 N/A VAL 184.A N PRO 181.A O no hydrogen 2.834 N/A ARG 185.A N PRO 181.A O no hydrogen 2.943 N/A ARG 185.A NE GLU 173.A OE2 no hydrogen 2.733 N/A ARG 185.A NH2 GLU 173.A OE1 no hydrogen 2.885 N/A ARG 185.A NH2 GLU 173.A OE2 no hydrogen 3.489 N/A THR 186.A N GLY 182.A O no hydrogen 3.323 N/A THR 186.A OG1 GLY 182.A O no hydrogen 2.930 N/A CYS 187.A N VAL 184.A O no hydrogen 3.252 N/A CYS 187.A SG VAL 184.A O no hydrogen 3.336 N/A ASN 191.A N CYS 187.A O no hydrogen 2.905 N/A ASN 191.A ND2 THR 186.A O no hydrogen 3.124 N/A LYS 192.A N GLY 188.A O no hydrogen 3.009 N/A LYS 192.A NZ GLU 251.A OE1 no hydrogen 2.980 N/A LYS 192.A NZ GLU 251.A OE2 no hydrogen 3.349 N/A LEU 193.A N PRO 189.A O no hydrogen 2.904 N/A ARG 194.A N MET 190.A O no hydrogen 2.868 N/A ARG 194.A NH1 ARG 185.A O no hydrogen 3.231 N/A ARG 194.A NH2 ARG 185.A O no hydrogen 2.925 N/A ARG 194.A NH2 TYR 272.A OH no hydrogen 3.334 N/A ARG 195.A N ASN 191.A O no hydrogen 3.011 N/A ARG 195.A NH1 ASP 157.A OD1 no hydrogen 2.893 N/A ALA 196.A N LYS 192.A O no hydrogen 2.997 N/A GLY 197.A N LEU 193.A O no hydrogen 2.823 N/A ALA 198.A N ARG 194.A O no hydrogen 2.960 N/A LEU 199.A N ARG 195.A O no hydrogen 2.875 N/A HIS 200.A N ALA 196.A O no hydrogen 2.826 N/A ILE 201.A N GLY 197.A O no hydrogen 3.171 N/A ALA 202.A N ALA 198.A O no hydrogen 2.920 N/A LEU 203.A N LEU 199.A O no hydrogen 2.841 N/A VAL 204.A N HIS 200.A O no hydrogen 2.996 N/A ASN 205.A N ILE 201.A O no hydrogen 2.991 N/A ASN 205.A ND2 HIS 287.A NE2 no hydrogen 2.876 N/A ASP 206.A N ALA 202.A O no hydrogen 2.832 N/A VAL 207.A N LEU 203.A O no hydrogen 3.077 N/A PHE 208.A N VAL 204.A O no hydrogen 3.080 N/A SER 209.A N ASP 206.A O no hydrogen 3.199 N/A SER 209.A OG ASN 205.A O no hydrogen 2.915 N/A SER 209.A OG ASN 205.A OD1 no hydrogen 3.314 N/A TYR 211.A OH GLU 140.A OE1 no hydrogen 2.684 N/A GLN 212.A NE2 GLU 221.A OE1 no hydrogen 3.097 N/A ASN 214.A ND2 ASP 206.A O no hydrogen 2.943 N/A ALA 215.A N ASP 206.A OD2 no hydrogen 2.940 N/A VAL 216.A N ASN 214.A OD1 no hydrogen 2.885 N/A ILE 218.A N ASN 214.A O no hydrogen 2.932 N/A ILE 219.A N ALA 215.A O no hydrogen 3.086 N/A ARG 220.A N VAL 216.A O no hydrogen 2.935 N/A GLU 221.A N THR 217.A O no hydrogen 2.892 N/A ALA 222.A N ILE 218.A O no hydrogen 3.099 N/A GLN 223.A N ILE 219.A O no hydrogen 2.962 N/A GLY 224.A N ARG 220.A O no hydrogen 2.883 N/A CYS 225.A SG GLN 223.A OE1 no hydrogen 3.433 N/A CYS 225.A SG SER 226.A O no hydrogen 3.481 N/A CYS 225.A SG GLN 233.A OE1 no hydrogen 3.882 N/A SER 226.A N GLU 229.A OE1 no hydrogen 2.795 N/A SER 226.A OG GLU 229.A OE1 no hydrogen 3.158 N/A GLN 228.A NE2 GLU 2.A O no hydrogen 3.250 N/A GLN 228.A NE2 GLN 228.A O no hydrogen 3.554 N/A GLN 228.A NE2 ASP 232.A OD1 no hydrogen 2.935 N/A GLU 229.A N SER 226.A OG no hydrogen 3.050 N/A ALA 230.A N SER 226.A O no hydrogen 2.930 N/A VAL 231.A N LEU 227.A O no hydrogen 2.906 N/A ASP 232.A N GLN 228.A O no hydrogen 2.864 N/A GLN 233.A N GLU 229.A O no hydrogen 3.147 N/A VAL 234.A N ALA 230.A O no hydrogen 2.989 N/A ALA 235.A N VAL 231.A O no hydrogen 2.880 N/A VAL 236.A N ASP 232.A O no hydrogen 3.142 N/A LEU 237.A N GLN 233.A O no hydrogen 3.162 N/A VAL 238.A N VAL 234.A O no hydrogen 2.788 N/A GLU 239.A N ALA 235.A O no hydrogen 2.984 N/A ALA 240.A N VAL 236.A O no hydrogen 2.963 N/A GLN 241.A N LEU 237.A O no hydrogen 2.960 N/A GLN 241.A NE2 LEU 237.A O no hydrogen 3.419 N/A LEU 242.A N VAL 238.A O no hydrogen 2.967 N/A HIS 243.A N GLU 239.A O no hydrogen 2.995 N/A THR 244.A N ALA 240.A O no hydrogen 2.939 N/A THR 244.A OG1 ALA 240.A O no hydrogen 2.788 N/A VAL 245.A N GLN 241.A O no hydrogen 2.840 N/A LEU 246.A N LEU 242.A O no hydrogen 2.989 N/A GLN 247.A N HIS 243.A O no hydrogen 2.946 N/A GLN 247.A NE2 GLU 251.A OE2 no hydrogen 2.580 N/A ALA 248.A N THR 244.A O no hydrogen 2.843 N/A ARG 249.A N VAL 245.A O no hydrogen 3.016 N/A GLN 250.A N LEU 246.A O no hydrogen 3.399 N/A GLU 251.A N GLN 247.A O no hydrogen 3.009 N/A LEU 252.A N ALA 248.A O no hydrogen 2.786 N/A LEU 253.A N ARG 249.A O no hydrogen 3.275 N/A GLU 254.A N GLN 250.A O no hydrogen 3.373 N/A GLU 255.A N GLU 251.A O no hydrogen 3.045 N/A LEU 256.A N LEU 252.A O no hydrogen 2.895 N/A ASP 257.A N LEU 253.A O no hydrogen 3.407 N/A ARG 258.A N GLU 254.A O no hydrogen 3.173 N/A ARG 258.A NH2 GLU 255.A OE1 no hydrogen 3.196 N/A GLN 259.A N GLU 255.A O no hydrogen 3.210 N/A GLN 259.A N LEU 256.A O no hydrogen 3.315 N/A GLN 259.A NE2 SER 183.A O no hydrogen 2.769 N/A GLN 259.A NE2 GLU 255.A OE2 no hydrogen 2.966 N/A ALA 260.A N ASP 257.A O no hydrogen 3.294 N/A ARG 266.A N PRO 262.A O no hydrogen 3.062 N/A ARG 266.A NE LEU 261.A O no hydrogen 2.897 N/A ARG 266.A NH1 ASP 257.A OD1 no hydrogen 2.637 N/A GLU 267.A N SER 263.A O no hydrogen 2.941 N/A ALA 268.A N ARG 264.A O no hydrogen 3.028 N/A ALA 269.A N ALA 265.A O no hydrogen 2.950 N/A VAL 270.A N ARG 266.A O no hydrogen 2.947 N/A ASP 271.A N GLU 267.A O no hydrogen 2.996 N/A TYR 272.A N ALA 268.A O no hydrogen 2.915 N/A ALA 273.A N ALA 269.A O no hydrogen 3.028 N/A ALA 274.A N VAL 270.A O no hydrogen 2.931 N/A ASN 275.A N ASP 271.A O no hydrogen 3.012 N/A VAL 276.A N TYR 272.A O no hydrogen 3.077 N/A ALA 277.A N ALA 273.A O no hydrogen 3.011 N/A ALA 278.A N ALA 274.A O no hydrogen 2.885 N/A ASN 279.A N ASN 275.A O no hydrogen 3.013 N/A LEU 280.A N ALA 277.A O no hydrogen 2.967 N/A SER 281.A OG PHE 10.A O no hydrogen 2.676 N/A GLY 282.A N ALA 278.A O no hydrogen 2.971 N/A GLN 283.A N ASN 279.A O no hydrogen 2.818 N/A LEU 284.A N LEU 280.A O no hydrogen 3.279 N/A VAL 285.A N SER 281.A O no hydrogen 3.017 N/A TRP 286.A N GLY 282.A O no hydrogen 2.898 N/A HIS 287.A N GLN 283.A O no hydrogen 3.019 N/A HIS 287.A ND1 GLN 283.A O no hydrogen 2.514 N/A