Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u42_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 7.A N ASP 5.A OD2 no hydrogen 2.838 N/A ILE 9.A N PRO 6.A O no hydrogen 2.622 N/A PHE 10.A N PRO 6.A O no hydrogen 3.030 N/A GLU 11.A N ARG 28.A O no hydrogen 3.075 N/A VAL 13.A N LYS 26.A O no hydrogen 2.939 N/A VAL 16.A N VAL 24.A O no hydrogen 2.762 N/A ASN 18.A ND2 GLY 17.A O no hydrogen 2.562 N/A GLY 19.A N VAL 16.A O no hydrogen 3.277 N/A TYR 21.A OH GLN 142.A O no hydrogen 2.745 N/A GLY 22.A N GLY 19.A O no hydrogen 2.709 N/A VAL 24.A N GLY 22.A O no hydrogen 2.884 N/A TYR 25.A N ILE 38.A O no hydrogen 2.585 N/A GLY 27.A N ALA 36.A O no hydrogen 2.765 N/A ARG 28.A N GLU 11.A O no hydrogen 2.820 N/A ARG 28.A NE GLU 11.A OE2 no hydrogen 2.680 N/A ARG 28.A NH2 GLU 11.A OE2 no hydrogen 3.133 N/A HIS 29.A N GLN 34.A O no hydrogen 2.637 N/A HIS 29.A ND1 THR 32.A OG1 no hydrogen 2.824 N/A VAL 30.A N ILE 9.A O no hydrogen 2.861 N/A THR 32.A N HIS 29.A ND1 no hydrogen 3.320 N/A THR 32.A OG1 HIS 29.A ND1 no hydrogen 2.824 N/A THR 32.A OG1 GLN 34.A OE1 no hydrogen 3.117 N/A GLY 33.A N HIS 29.A O no hydrogen 2.461 N/A GLN 34.A N THR 32.A OG1 no hydrogen 3.378 N/A ALA 36.A N GLY 27.A O no hydrogen 2.941 N/A ALA 37.A N MET 90.A O no hydrogen 2.658 N/A ILE 38.A N TYR 25.A O no hydrogen 2.702 N/A LYS 39.A N LEU 88.A O no hydrogen 2.639 N/A LYS 39.A NZ GLU 54.A OE1 no hydrogen 3.393 N/A LYS 39.A NZ GLU 54.A OE2 no hydrogen 3.519 N/A VAL 40.A N GLN 23.A O no hydrogen 3.028 N/A MET 41.A N LEU 86.A O no hydrogen 2.836 N/A VAL 43.A N ASP 84.A O no hydrogen 2.899 N/A GLU 45.A N THR 44.A OG1 no hydrogen 2.347 N/A GLU 50.A N GLU 47.A O no hydrogen 2.865 N/A LYS 52.A N GLU 48.A O no hydrogen 3.173 N/A LYS 52.A NZ GLU 49.A OE2 no hydrogen 2.663 N/A LEU 53.A N GLU 49.A O no hydrogen 2.768 N/A GLU 54.A N GLU 50.A O no hydrogen 2.889 N/A ILE 55.A N ILE 51.A O no hydrogen 3.151 N/A ASN 56.A N LYS 52.A O no hydrogen 3.486 N/A MET 57.A N LEU 53.A O no hydrogen 3.037 N/A LEU 58.A N GLU 54.A O no hydrogen 3.227 N/A LYS 59.A N ILE 55.A O no hydrogen 2.922 N/A LYS 60.A N ASN 56.A O no hydrogen 2.946 N/A TYR 61.A N MET 57.A O no hydrogen 2.876 N/A SER 62.A N LEU 58.A O no hydrogen 2.796 N/A SER 62.A OG LEU 58.A O no hydrogen 2.249 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 3.099 N/A ALA 68.A N LEU 154.A O no hydrogen 3.432 N/A THR 69.A N GLU 91.A OE1 no hydrogen 2.948 N/A THR 69.A OG1 SER 62.A O no hydrogen 3.085 N/A THR 69.A OG1 ILE 67.A O no hydrogen 3.410 N/A THR 69.A OG1 GLU 91.A OE1 no hydrogen 3.354 N/A TYR 71.A N VAL 89.A O no hydrogen 2.622 N/A GLY 72.A N VAL 89.A O no hydrogen 3.200 N/A PHE 74.A N TRP 87.A O no hydrogen 3.086 N/A ILE 75.A N ARG 4.A O no hydrogen 2.409 N/A LYS 76.A N GLN 85.A O no hydrogen 2.996 N/A SER 78.A N ASP 84.A OD1 no hydrogen 3.102 N/A SER 78.A OG ASP 83.A O no hydrogen 2.551 N/A GLN 85.A N LYS 76.A O no hydrogen 3.482 N/A GLN 85.A NE2 ASP 42.A OD1 no hydrogen 2.789 N/A LEU 86.A N MET 41.A O no hydrogen 2.578 N/A TRP 87.A N PHE 74.A O no hydrogen 2.725 N/A LEU 88.A N LYS 39.A O no hydrogen 2.644 N/A VAL 89.A N GLY 72.A O no hydrogen 3.087 N/A MET 90.A N ALA 37.A O no hydrogen 2.879 N/A GLU 91.A N THR 69.A O no hydrogen 2.788 N/A ALA 95.A N LEU 146.A O no hydrogen 3.144 N/A SER 97.A N ASP 100.A OD2 no hydrogen 3.281 N/A ILE 98.A N GLY 141.A O no hydrogen 3.229 N/A ILE 98.A N VAL 144.A O no hydrogen 2.951 N/A THR 99.A N GLY 141.A O no hydrogen 3.389 N/A THR 99.A OG1 GLU 197.A OE2 no hydrogen 3.285 N/A ASP 100.A N SER 97.A OG no hydrogen 2.918 N/A LEU 101.A N SER 97.A O no hydrogen 2.768 N/A VAL 102.A N ILE 98.A O no hydrogen 2.922 N/A LYS 103.A N THR 99.A O no hydrogen 2.978 N/A LYS 103.A NZ ASP 100.A OD1 no hydrogen 3.312 N/A ASN 104.A N ASP 100.A O no hydrogen 2.967 N/A ASN 104.A N LEU 101.A O no hydrogen 3.218 N/A THR 105.A N VAL 102.A O no hydrogen 3.174 N/A THR 105.A OG1 LEU 101.A O no hydrogen 2.709 N/A ASN 108.A N THR 105.A O no hydrogen 2.622 N/A THR 109.A OG1 LEU 110.A O no hydrogen 3.466 N/A THR 109.A OG1 ALA 199.A O no hydrogen 3.134 N/A LEU 110.A N MET 198.A O no hydrogen 2.932 N/A LYS 111.A NZ ASP 113.A OD1 no hydrogen 2.836 N/A LYS 111.A NZ ASP 113.A OD2 no hydrogen 3.320 N/A LYS 111.A NZ GLN 273.A OE1 no hydrogen 2.730 N/A TRP 114.A N LYS 111.A O no hydrogen 2.727 N/A TRP 114.A NE1 GLN 273.A OE1 no hydrogen 2.962 N/A ILE 115.A N LYS 111.A O no hydrogen 3.044 N/A ALA 116.A N GLU 112.A O no hydrogen 2.858 N/A TYR 117.A N ASP 113.A O no hydrogen 3.189 N/A TYR 117.A OH ALA 150.A O no hydrogen 3.231 N/A ILE 118.A N TRP 114.A O no hydrogen 2.882 N/A SER 119.A N ILE 115.A O no hydrogen 2.780 N/A SER 119.A OG ILE 115.A O no hydrogen 2.833 N/A ARG 120.A N ALA 116.A O no hydrogen 2.868 N/A ARG 120.A NE GLU 121.A OE1 no hydrogen 3.123 N/A ARG 120.A NH1 GLU 121.A OE1 no hydrogen 3.302 N/A ARG 120.A NH1 GLU 267.A OE2 no hydrogen 2.969 N/A ARG 120.A NH2 GLU 267.A OE1 no hydrogen 3.261 N/A GLU 121.A N TYR 117.A O no hydrogen 3.068 N/A ILE 122.A N ILE 118.A O no hydrogen 2.943 N/A LEU 123.A N SER 119.A O no hydrogen 2.782 N/A ARG 124.A N ARG 120.A O no hydrogen 2.789 N/A GLY 125.A N GLU 121.A O no hydrogen 2.957 N/A LEU 126.A N ILE 122.A O no hydrogen 2.826 N/A ALA 127.A N LEU 123.A O no hydrogen 2.718 N/A HIS 128.A N ARG 124.A O no hydrogen 3.141 N/A LEU 129.A N GLY 125.A O no hydrogen 3.203 N/A HIS 130.A N LEU 126.A O no hydrogen 2.881 N/A HIS 130.A ND1 THR 252.A OG1 no hydrogen 2.703 N/A HIS 130.A NE2 ASP 187.A OD1 no hydrogen 2.704 N/A ILE 131.A N ALA 127.A O no hydrogen 3.000 N/A HIS 132.A N LEU 129.A O no hydrogen 3.058 N/A HIS 133.A N HIS 130.A O no hydrogen 2.934 N/A VAL 134.A N LEU 129.A O no hydrogen 2.708 N/A HIS 136.A N ASP 187.A OD1 no hydrogen 2.914 N/A HIS 136.A NE2 VAL 155.A O no hydrogen 2.864 N/A ARG 137.A N ASP 187.A OD2 no hydrogen 2.841 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.070 N/A ASN 143.A N LYS 140.A O no hydrogen 3.158 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.722 N/A ASN 143.A ND2 ASP 138.A OD2 no hydrogen 3.134 N/A VAL 144.A N GLY 141.A O no hydrogen 3.278 N/A LEU 145.A N LYS 153.A O no hydrogen 2.823 N/A LEU 146.A N GLY 96.A O no hydrogen 2.901 N/A THR 147.A N GLU 151.A O no hydrogen 2.955 N/A THR 147.A OG1 GLU 151.A O no hydrogen 3.442 N/A ALA 150.A N THR 147.A O no hydrogen 3.120 N/A GLU 151.A N THR 147.A OG1 no hydrogen 2.671 N/A LYS 153.A N LEU 145.A O no hydrogen 2.888 N/A LYS 153.A NZ ARG 65.A O no hydrogen 2.717 N/A LEU 154.A N ASN 66.A O no hydrogen 2.613 N/A VAL 155.A N ASN 143.A O no hydrogen 3.029 N/A GLY 158.A N HIS 136.A O no hydrogen 3.106 N/A TYR 165.A OH MET 208.A O no hydrogen 2.804 N/A TRP 166.A NE1 GLU 197.A OE1 no hydrogen 3.152 N/A MET 167.A N PRO 164.A O no hydrogen 2.859 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.762 N/A VAL 171.A N ALA 168.A O no hydrogen 3.135 N/A ILE 172.A N PRO 169.A O no hydrogen 3.179 N/A CYS 174.A N ASN 177.A O no hydrogen 2.963 N/A CYS 174.A SG GLU 176.A OE1 no hydrogen 2.638 N/A ASN 177.A N CYS 174.A O no hydrogen 2.445 N/A ASN 177.A ND2 GLU 170.A O no hydrogen 2.852 N/A ASN 177.A ND2 ILE 172.A O no hydrogen 3.544 N/A THR 181.A N GLU 170.A O no hydrogen 3.066 N/A TYR 182.A N ALA 180.A O no hydrogen 3.224 N/A TYR 182.A OH ARG 137.A O no hydrogen 3.154 N/A ASP 183.A N SER 186.A OG no hydrogen 3.175 N/A ARG 185.A N ASP 183.A OD1 no hydrogen 2.824 N/A ARG 185.A NH1 ASP 183.A OD1 no hydrogen 3.040 N/A ARG 185.A NH1 ASP 183.A OD2 no hydrogen 3.066 N/A ARG 185.A NH2 MET 247.A O no hydrogen 3.157 N/A SER 186.A N ASP 183.A O no hydrogen 3.148 N/A SER 186.A OG GLU 170.A OE2 no hydrogen 2.786 N/A SER 186.A OG ASP 183.A O no hydrogen 3.079 N/A ASP 187.A N TYR 184.A O no hydrogen 3.211 N/A LEU 188.A N ARG 185.A O no hydrogen 3.197 N/A TRP 189.A N ARG 185.A O no hydrogen 3.328 N/A SER 190.A N SER 186.A O no hydrogen 3.222 N/A SER 190.A OG TRP 166.A O no hydrogen 2.675 N/A SER 190.A OG SER 186.A O no hydrogen 3.252 N/A CYS 191.A N ASP 187.A O no hydrogen 2.866 N/A GLY 192.A N LEU 188.A O no hydrogen 2.935 N/A ILE 193.A N TRP 189.A O no hydrogen 2.910 N/A THR 194.A N SER 190.A O no hydrogen 2.821 N/A THR 194.A OG1 SER 190.A O no hydrogen 2.804 N/A ALA 195.A N CYS 191.A O no hydrogen 2.903 N/A ILE 196.A N GLY 192.A O no hydrogen 3.237 N/A GLU 197.A N ILE 193.A O no hydrogen 2.980 N/A MET 198.A N THR 194.A O no hydrogen 2.918 N/A ALA 199.A N ALA 195.A O no hydrogen 2.828 N/A GLU 200.A N ILE 196.A O no hydrogen 2.716 N/A GLY 201.A N GLU 197.A O no hydrogen 2.683 N/A CYS 206.A N PRO 203.A O no hydrogen 3.327 N/A CYS 206.A SG PRO 203.A O no hydrogen 3.228 N/A CYS 206.A SG ASP 207.A OD2 no hydrogen 3.727 N/A MET 208.A N LEU 205.A O no hydrogen 3.040 N/A ALA 213.A N HIS 209.A O no hydrogen 2.947 N/A LEU 214.A N PRO 210.A O no hydrogen 2.890 N/A PHE 215.A N MET 211.A O no hydrogen 3.119 N/A LEU 216.A N ARG 212.A O no hydrogen 2.946 N/A LEU 216.A N ALA 213.A O no hydrogen 2.944 N/A ILE 217.A N ALA 213.A O no hydrogen 2.942 N/A ARG 219.A N LEU 216.A O no hydrogen 2.703 N/A ASN 220.A N LEU 216.A O no hydrogen 2.755 N/A LYS 226.A N GLU 200.A OE2 no hydrogen 2.530 N/A LYS 229.A N SER 227.A OG no hydrogen 3.024 N/A SER 231.A N GLU 112.A OE1 no hydrogen 2.483 N/A SER 231.A OG GLU 112.A OE1 no hydrogen 3.258 N/A SER 231.A OG GLU 112.A OE2 no hydrogen 2.687 N/A LYS 233.A NZ ASP 263.A OD2 no hydrogen 3.371 N/A PHE 234.A N SER 231.A OG no hydrogen 3.123 N/A PHE 235.A N SER 231.A O no hydrogen 3.008 N/A SER 236.A N LYS 232.A O no hydrogen 2.886 N/A SER 236.A OG HIS 258.A NE2 no hydrogen 2.990 N/A PHE 237.A N LYS 233.A O no hydrogen 2.973 N/A ILE 238.A N PHE 234.A O no hydrogen 3.030 N/A GLU 239.A N PHE 235.A O no hydrogen 3.079 N/A GLY 240.A N SER 236.A O no hydrogen 2.998 N/A CYS 241.A N PHE 237.A O no hydrogen 2.914 N/A CYS 241.A SG PHE 237.A O no hydrogen 3.599 N/A LEU 242.A N ILE 238.A O no hydrogen 2.960 N/A LYS 244.A NZ PRO 218.A O no hydrogen 2.716 N/A LYS 244.A NZ ASN 220.A O no hydrogen 2.468 N/A MET 247.A N ASN 245.A OD1 no hydrogen 2.829 N/A GLN 248.A N ASN 245.A O no hydrogen 2.783 N/A ARG 249.A N TYR 246.A O no hydrogen 2.972 N/A ARG 249.A NE VAL 243.A O no hydrogen 2.862 N/A ARG 249.A NH1 GLU 170.A OE1 no hydrogen 3.473 N/A ARG 249.A NH1 GLU 170.A OE2 no hydrogen 2.892 N/A ARG 249.A NH1 ARG 185.A O no hydrogen 3.005 N/A ARG 249.A NH2 GLU 170.A OE1 no hydrogen 3.071 N/A ARG 249.A NH2 VAL 243.A O no hydrogen 2.910 N/A ARG 249.A NH2 LYS 244.A O no hydrogen 3.116 N/A SER 251.A N GLN 254.A OE1 no hydrogen 3.095 N/A SER 251.A OG GLN 254.A OE1 no hydrogen 3.015 N/A THR 252.A OG1 HIS 130.A ND1 no hydrogen 2.703 N/A GLN 254.A N SER 251.A OG no hydrogen 2.966 N/A LEU 255.A N SER 251.A O no hydrogen 2.892 N/A LEU 256.A N THR 252.A O no hydrogen 2.888 N/A LYS 257.A N GLU 253.A O no hydrogen 3.212 N/A HIS 258.A N LEU 255.A O no hydrogen 2.993 N/A HIS 258.A NE2 SER 236.A OG no hydrogen 2.990 N/A PHE 260.A N HIS 258.A ND1 no hydrogen 3.065 N/A ILE 261.A N HIS 258.A O no hydrogen 2.673 N/A ARG 262.A N HIS 258.A O no hydrogen 2.729 N/A ARG 262.A NE ASP 263.A OD1 no hydrogen 2.523 N/A ARG 262.A NH2 ASP 263.A OD1 no hydrogen 2.909 N/A ARG 262.A NH2 ASP 263.A OD2 no hydrogen 3.049 N/A ASP 263.A N PRO 259.A O no hydrogen 2.905 N/A GLN 264.A N ARG 262.A O no hydrogen 3.022 N/A GLN 264.A NE2 ILE 261.A O no hydrogen 2.702 N/A GLU 267.A N GLN 264.A O no hydrogen 3.350 N/A VAL 270.A N ASN 266.A O no hydrogen 2.983 N/A ARG 271.A N GLU 267.A O no hydrogen 2.811 N/A ARG 271.A NE ASN 149.A O no hydrogen 3.362 N/A ARG 271.A NH1 ASN 149.A O no hydrogen 3.089 N/A ILE 272.A N ARG 268.A O no hydrogen 3.256 N/A GLN 273.A N GLN 269.A O no hydrogen 2.714 N/A LEU 274.A N VAL 270.A O no hydrogen 2.900 N/A LYS 275.A N ARG 271.A O no hydrogen 3.128 N/A ASP 276.A N ILE 272.A O no hydrogen 3.023 N/A HIS 277.A N GLN 273.A O no hydrogen 2.953 N/A ILE 278.A N LEU 274.A O no hydrogen 2.862 N/A ASP 279.A N LYS 275.A O no hydrogen 2.857 N/A ARG 280.A N ASP 276.A O no hydrogen 3.009 N/A THR 281.A OG1 HIS 277.A O no hydrogen 3.085 N/A ARG 282.A N ILE 278.A O no hydrogen 2.761 N/A ARG 282.A NE ASP 279.A OD1 no hydrogen 3.130 N/A