Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a5s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N THR 70.A O no hydrogen 3.011 N/A SER 4.A OG ARG 100.A O no hydrogen 2.826 N/A ILE 5.A N ASP 72.A O no hydrogen 3.100 N/A VAL 6.A N MET 103.A O no hydrogen 3.066 N/A THR 7.A N TYR 74.A O no hydrogen 2.892 N/A THR 7.A OG1 VAL 105.A O no hydrogen 2.681 N/A GLU 10.A N VAL 14.A O no hydrogen 2.861 N/A PHE 13.A N GLU 10.A O no hydrogen 2.949 N/A VAL 14.A N GLU 10.A O no hydrogen 3.063 N/A ILE 15.A N LYS 53.A O no hydrogen 2.658 N/A VAL 16.A N GLU 9.A OE2 no hydrogen 2.881 N/A GLU 17.A N CYS 51.A O no hydrogen 2.879 N/A CYS 25.A SG LYS 50.A O no hydrogen 3.422 N/A THR 29.A N VAL 26.A O no hydrogen 3.020 N/A THR 29.A OG1 VAL 26.A O no hydrogen 2.653 N/A VAL 30.A N CYS 52.A O no hydrogen 2.829 N/A CYS 32.A N LYS 50.A O no hydrogen 3.134 N/A ARG 33.A N LEU 73.A O no hydrogen 3.015 N/A ARG 33.A NE ASP 72.A OD1 no hydrogen 3.061 N/A ARG 33.A NE ASP 72.A OD2 no hydrogen 3.158 N/A ARG 33.A NH2 ASP 72.A OD2 no hydrogen 2.572 N/A LYS 34.A N VAL 48.A O no hydrogen 3.015 N/A VAL 36.A N MET 46.A O no hydrogen 2.990 N/A ILE 38.A N GLU 44.A O no hydrogen 2.941 N/A THR 42.A OG1 GLU 44.A OE1 no hydrogen 3.034 N/A GLU 44.A N THR 42.A OG1 no hydrogen 3.119 N/A MET 46.A N VAL 36.A O no hydrogen 2.976 N/A VAL 48.A N LYS 34.A O no hydrogen 2.729 N/A LYS 50.A N CYS 32.A O no hydrogen 2.786 N/A CYS 51.A N GLU 17.A O no hydrogen 2.868 N/A CYS 52.A N VAL 30.A O no hydrogen 2.768 N/A LYS 53.A N ILE 15.A O no hydrogen 2.986 N/A LYS 53.A NZ GLU 17.A OE2 no hydrogen 3.201 N/A PHE 55.A N PRO 12.A O no hydrogen 3.022 N/A CYS 56.A N PHE 13.A O no hydrogen 2.930 N/A ASP 58.A N GLY 54.A O no hydrogen 2.941 N/A ILE 59.A N PHE 55.A O no hydrogen 3.102 N/A LEU 60.A N CYS 56.A O no hydrogen 2.982 N/A LYS 61.A N ILE 57.A O no hydrogen 2.816 N/A LYS 61.A NZ ASN 28.A O no hydrogen 3.425 N/A LYS 61.A NZ ASP 58.A OD1 no hydrogen 3.124 N/A LYS 62.A N ASP 58.A O no hydrogen 3.030 N/A LYS 62.A NZ GLU 264.A OE1 no hydrogen 3.256 N/A LEU 63.A N ILE 59.A O no hydrogen 2.891 N/A SER 64.A N LEU 60.A O no hydrogen 2.830 N/A SER 64.A OG PHE 69.A O no hydrogen 2.677 N/A ARG 65.A N LYS 61.A O no hydrogen 3.041 N/A ARG 65.A NE THR 66.A OG1 no hydrogen 3.158 N/A ARG 65.A NH1 GLU 264.A OE1 no hydrogen 3.490 N/A ARG 65.A NH2 THR 66.A OG1 no hydrogen 3.024 N/A ARG 65.A NH2 GLU 264.A OE1 no hydrogen 3.108 N/A THR 66.A N LYS 62.A O no hydrogen 2.801 N/A THR 66.A OG1 LYS 62.A O no hydrogen 3.089 N/A VAL 67.A N LEU 63.A O no hydrogen 2.764 N/A PHE 69.A N SER 64.A O no hydrogen 3.152 N/A ASP 72.A N LEU 3.A O no hydrogen 2.771 N/A TYR 74.A N ILE 5.A O no hydrogen 2.834 N/A TYR 74.A OH GLU 95.A OE1 no hydrogen 2.567 N/A LEU 75.A N ARG 33.A O no hydrogen 2.787 N/A VAL 76.A N THR 7.A O no hydrogen 3.086 N/A LYS 83.A NZ ASN 164.A OD1 no hydrogen 2.867 N/A VAL 85.A N VAL 88.A O no hydrogen 2.913 N/A VAL 88.A N VAL 85.A O no hydrogen 2.965 N/A TRP 89.A N TYR 98.A OH no hydrogen 3.072 N/A ASN 90.A N LYS 83.A O no hydrogen 2.937 N/A GLY 91.A N ASN 78.A O no hydrogen 2.769 N/A MET 92.A N LYS 80.A O no hydrogen 2.919 N/A ILE 93.A N HIS 81.A O no hydrogen 3.211 N/A GLY 94.A N ASN 90.A O no hydrogen 3.072 N/A GLU 95.A N GLY 91.A O no hydrogen 3.234 N/A VAL 96.A N MET 92.A O no hydrogen 3.278 N/A VAL 97.A N ILE 93.A O no hydrogen 2.871 N/A TYR 98.A N GLY 94.A O no hydrogen 2.950 N/A GLN 99.A N VAL 96.A O no hydrogen 3.078 N/A GLN 99.A NE2 GLN 243.A OE1 no hydrogen 2.677 N/A ARG 100.A N GLU 95.A O no hydrogen 2.763 N/A ARG 100.A NE GLU 95.A OE1 no hydrogen 3.261 N/A ARG 100.A NE GLU 95.A OE2 no hydrogen 3.434 N/A ARG 100.A NH2 GLU 95.A OE2 no hydrogen 2.895 N/A ALA 101.A N GLU 95.A O no hydrogen 3.086 N/A VAL 102.A N SER 4.A O no hydrogen 2.756 N/A ALA 104.A N ALA 241.A O no hydrogen 2.923 N/A VAL 105.A N VAL 6.A O no hydrogen 2.982 N/A SER 107.A OG GLU 10.A OE1 no hydrogen 2.690 N/A ILE 110.A N GLY 237.A O no hydrogen 3.003 N/A ARG 114.A NH1 THR 109.A O no hydrogen 2.846 N/A ARG 114.A NH2 GLY 82.A O no hydrogen 2.874 N/A SER 115.A N ASN 111.A O no hydrogen 2.997 N/A SER 115.A OG ASN 111.A O no hydrogen 3.054 N/A GLU 116.A N GLU 113.A O no hydrogen 3.292 N/A VAL 117.A N ARG 114.A O no hydrogen 3.076 N/A VAL 118.A N ARG 114.A O no hydrogen 2.971 N/A ASP 119.A N LEU 242.A O no hydrogen 2.914 N/A SER 121.A N ILE 240.A O no hydrogen 2.881 N/A SER 121.A OG VAL 122.A O no hydrogen 2.934 N/A VAL 122.A N ASP 253.A OD1 no hydrogen 2.855 N/A PHE 124.A N TYR 238.A O no hydrogen 3.044 N/A THR 127.A N THR 236.A O no hydrogen 3.006 N/A THR 127.A OG1 ASP 208.A OD1 no hydrogen 2.684 N/A SER 130.A N TYR 207.A O no hydrogen 2.997 N/A VAL 131.A N ILE 227.A O no hydrogen 2.812 N/A MET 132.A N PHE 205.A O no hydrogen 2.806 N/A VAL 133.A N VAL 225.A O no hydrogen 2.887 N/A ARG 135.A N LYS 223.A O no hydrogen 2.945 N/A ARG 135.A NE CYS 222.A O no hydrogen 2.723 N/A ARG 135.A NH1 HIS 278.A O no hydrogen 3.409 N/A ARG 135.A NH2 CYS 222.A O no hydrogen 3.427 N/A ARG 135.A NH2 HIS 278.A O no hydrogen 3.063 N/A THR 137.A N SER 134.A O no hydrogen 2.969 N/A THR 137.A OG1 SER 134.A O no hydrogen 3.366 N/A THR 140.A N ASP 144.A OD2 no hydrogen 3.065 N/A THR 140.A OG1 ASP 144.A OD2 no hydrogen 3.483 N/A LEU 142.A N SER 229.A O no hydrogen 2.985 N/A ASP 144.A N GLY 141.A O no hydrogen 3.221 N/A LYS 146.A N ASP 144.A OD1 no hydrogen 2.888 N/A LYS 146.A NZ GLN 138.A O no hydrogen 2.807 N/A PHE 147.A N ASP 144.A O no hydrogen 2.903 N/A GLN 148.A N ASP 144.A O no hydrogen 3.061 N/A GLN 148.A NE2 SER 143.A O no hydrogen 2.549 N/A ARG 149.A N LYS 145.A O no hydrogen 2.835 N/A ARG 149.A NE ASP 152.A OD2 no hydrogen 2.850 N/A ARG 149.A NH2 ASP 152.A OD2 no hydrogen 2.592 N/A ASP 152.A N ARG 149.A O no hydrogen 2.987 N/A TYR 153.A N PRO 150.A O no hydrogen 3.327 N/A PHE 157.A N PRO 150.A O no hydrogen 3.128 N/A ARG 158.A N ASP 203.A OD1 no hydrogen 2.897 N/A ARG 158.A NE ASP 203.A OD1 no hydrogen 2.964 N/A ARG 158.A NH1 GLY 200.A O no hydrogen 3.094 N/A ARG 158.A NH2 GLY 200.A O no hydrogen 3.194 N/A ARG 158.A NH2 ASP 203.A OD2 no hydrogen 2.683 N/A GLY 160.A N ALA 204.A O no hydrogen 3.323 N/A THR 161.A OG1 VAL 162.A O no hydrogen 3.480 N/A THR 161.A OG1 ILE 206.A O no hydrogen 2.662 N/A ASN 164.A N GLU 168.A OE1 no hydrogen 2.680 N/A ARG 169.A N GLY 165.A O no hydrogen 3.125 N/A ASN 170.A N SER 166.A O no hydrogen 3.032 N/A ILE 171.A N THR 167.A O no hydrogen 3.223 N/A ILE 171.A N GLU 168.A O no hydrogen 3.089 N/A ARG 172.A N GLU 168.A O no hydrogen 2.778 N/A ASN 173.A N ARG 169.A O no hydrogen 2.959 N/A ASN 174.A N ILE 171.A O no hydrogen 3.196 N/A TYR 175.A N ILE 171.A O no hydrogen 2.813 N/A HIS 179.A N TYR 175.A O no hydrogen 3.018 N/A GLN 180.A N PRO 176.A O no hydrogen 2.930 N/A TYR 181.A N TYR 177.A O no hydrogen 2.876 N/A TYR 181.A OH PHE 157.A O no hydrogen 2.666 N/A MET 182.A N MET 178.A O no hydrogen 2.939 N/A THR 183.A N HIS 179.A O no hydrogen 3.105 N/A THR 183.A OG1 GLN 180.A O no hydrogen 3.044 N/A ARG 184.A N TYR 181.A O no hydrogen 3.280 N/A ARG 184.A NH1 HIS 151.A NE2 no hydrogen 3.296 N/A PHE 185.A N MET 182.A O no hydrogen 2.690 N/A ASN 186.A N THR 183.A O no hydrogen 3.215 N/A GLN 187.A N THR 161.A O no hydrogen 2.908 N/A GLN 187.A NE2 PHE 185.A O no hydrogen 2.789 N/A ALA 193.A N GLY 189.A O no hydrogen 3.170 N/A LEU 194.A N VAL 190.A O no hydrogen 2.967 N/A VAL 195.A N GLU 191.A O no hydrogen 3.236 N/A SER 196.A N ASP 192.A O no hydrogen 3.167 N/A SER 196.A OG ASP 192.A O no hydrogen 3.153 N/A LEU 197.A N ALA 193.A O no hydrogen 3.074 N/A LYS 198.A N LEU 194.A O no hydrogen 3.106 N/A LYS 198.A NZ ASP 219.A OD2 no hydrogen 2.816 N/A THR 199.A N VAL 195.A O no hydrogen 3.148 N/A THR 199.A OG1 VAL 195.A O no hydrogen 2.818 N/A THR 199.A OG1 SER 196.A O no hydrogen 3.412 N/A GLY 200.A N LEU 197.A O no hydrogen 2.969 N/A LYS 201.A N SER 196.A O no hydrogen 2.648 N/A LEU 202.A N SER 196.A O no hydrogen 3.004 N/A ASP 203.A N ARG 158.A O no hydrogen 2.909 N/A ALA 204.A N ARG 158.A O no hydrogen 3.111 N/A PHE 205.A N MET 132.A O no hydrogen 2.873 N/A ILE 206.A N GLY 160.A O no hydrogen 2.921 N/A TYR 207.A N SER 130.A O no hydrogen 3.124 N/A TYR 207.A OH GLU 10.A OE2 no hydrogen 2.696 N/A ALA 209.A N GLY 128.A O no hydrogen 2.955 N/A ALA 210.A N THR 127.A OG1 no hydrogen 3.188 N/A VAL 211.A N ASP 208.A OD2 no hydrogen 3.010 N/A LEU 212.A N ASP 208.A O no hydrogen 3.041 N/A ASN 213.A N ALA 209.A O no hydrogen 2.837 N/A TYR 214.A N ALA 210.A O no hydrogen 3.175 N/A LYS 215.A N VAL 211.A O no hydrogen 2.883 N/A LYS 215.A NZ GLU 191.A OE2 no hydrogen 2.909 N/A ALA 216.A N LEU 212.A O no hydrogen 3.044 N/A GLY 217.A N ASN 213.A O no hydrogen 3.130 N/A ARG 218.A N LYS 215.A O no hydrogen 3.402 N/A ARG 218.A NH2 THR 274.A O no hydrogen 2.813 N/A CYS 222.A N ASP 219.A O no hydrogen 2.823 N/A CYS 222.A SG ASP 219.A O no hydrogen 3.977 N/A LYS 223.A N ASP 219.A OD1 no hydrogen 2.842 N/A VAL 225.A N VAL 133.A O no hydrogen 2.886 N/A THR 226.A OG1 LEU 212.A O no hydrogen 3.134 N/A ILE 227.A N VAL 131.A O no hydrogen 2.873 N/A SER 229.A N ILE 129.A O no hydrogen 3.089 N/A SER 229.A OG ILE 129.A O no hydrogen 2.641 N/A TYR 231.A N SER 229.A OG no hydrogen 3.034 N/A ILE 232.A N GLY 230.A O no hydrogen 2.928 N/A ALA 234.A N TYR 231.A O no hydrogen 2.912 N/A THR 235.A N ILE 232.A O no hydrogen 2.934 N/A THR 236.A N THR 127.A O no hydrogen 3.004 N/A THR 236.A OG1 ILE 110.A O no hydrogen 2.778 N/A TYR 238.A N VAL 125.A O no hydrogen 2.822 N/A TYR 238.A OH ASP 208.A OD2 no hydrogen 2.555 N/A GLY 239.A N LEU 108.A O no hydrogen 2.999 N/A ILE 240.A N SER 121.A OG no hydrogen 2.961 N/A ALA 241.A N ALA 104.A O no hydrogen 3.155 N/A LEU 242.A N ASP 119.A O no hydrogen 2.723 N/A LYS 244.A NZ SER 115.A O no hydrogen 2.637 N/A LYS 244.A NZ ASP 119.A OD1 no hydrogen 3.263 N/A GLY 245.A N ASP 119.A OD2 no hydrogen 2.617 N/A SER 246.A N GLN 243.A O no hydrogen 2.812 N/A TRP 248.A N SER 246.A OG no hydrogen 3.191 N/A LYS 249.A NZ PHE 120.A O no hydrogen 2.623 N/A LYS 249.A NZ ASP 253.A OD2 no hydrogen 2.832 N/A ILE 252.A N TRP 248.A O no hydrogen 2.924 N/A ASP 253.A N LYS 249.A O no hydrogen 2.887 N/A LEU 254.A N ARG 250.A O no hydrogen 3.073 N/A ALA 255.A N GLN 251.A O no hydrogen 3.153 N/A LEU 256.A N ILE 252.A O no hydrogen 3.023 N/A LEU 257.A N ASP 253.A O no hydrogen 2.884 N/A GLN 258.A N LEU 254.A O no hydrogen 2.903 N/A PHE 259.A N ALA 255.A O no hydrogen 2.901 N/A VAL 260.A N LEU 256.A O no hydrogen 2.987 N/A GLY 261.A N LEU 257.A O no hydrogen 2.986 N/A ASP 262.A N GLN 258.A O no hydrogen 2.970 N/A GLY 263.A N VAL 260.A O no hydrogen 3.402 N/A MET 265.A N PHE 259.A O no hydrogen 3.141 N/A GLU 267.A N GLY 263.A O no hydrogen 3.103 N/A LEU 268.A N GLU 264.A O no hydrogen 3.148 N/A GLU 269.A N MET 265.A O no hydrogen 2.945 N/A THR 270.A N GLU 266.A O no hydrogen 3.065 N/A THR 270.A OG1 GLU 266.A O no hydrogen 3.246 N/A LEU 271.A N GLU 267.A O no hydrogen 3.001 N/A TRP 272.A N LEU 268.A O no hydrogen 2.959 N/A TRP 272.A NE1 ASP 58.A OD2 no hydrogen 2.891 N/A LEU 273.A N GLU 269.A O no hydrogen 2.863 N/A THR 274.A OG1 THR 270.A O no hydrogen 3.489 N/A ILE 276.A N GLY 217.A O no hydrogen 2.755 N/A CYS 277.A N GLY 217.A O no hydrogen 2.899 N/A CYS 277.A SG ALA 216.A O no hydrogen 3.503 N/A CYS 277.A SG GLY 217.A O no hydrogen 3.484 N/A CYS 277.A SG ASP 219.A O no hydrogen 3.757 N/A