Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4l52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N ALA 70.A O no hydrogen 2.669 N/A TYR 8.A OH GLN 39.A OE1 no hydrogen 2.651 N/A GLU 10.A N ASP 7.A O no hydrogen 3.206 N/A ILE 11.A N TYR 8.A O no hydrogen 3.005 N/A GLU 12.A N LYS 29.A O no hydrogen 3.042 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.693 N/A VAL 17.A N VAL 25.A O no hydrogen 2.960 N/A GLY 18.A N VAL 25.A O no hydrogen 3.291 N/A ARG 19.A NE GLU 41.A OE1 no hydrogen 3.441 N/A ALA 21.A N ASP 150.A OD1 no hydrogen 3.328 N/A VAL 24.A N GLN 39.A O no hydrogen 3.257 N/A VAL 25.A N GLY 18.A O no hydrogen 2.816 N/A CYS 26.A N ILE 37.A O no hydrogen 2.780 N/A CYS 26.A SG GLU 14.A O no hydrogen 3.802 N/A LYS 27.A N GLU 15.A O no hydrogen 2.995 N/A ALA 28.A N VAL 35.A O no hydrogen 2.813 N/A LYS 29.A N GLU 12.A O no hydrogen 2.990 N/A TRP 30.A N LYS 33.A O no hydrogen 2.926 N/A LYS 33.A N TRP 30.A O no hydrogen 3.088 N/A ALA 36.A N MET 79.A O no hydrogen 2.977 N/A ILE 37.A N CYS 26.A O no hydrogen 3.046 N/A LYS 38.A N LEU 77.A O no hydrogen 3.217 N/A LYS 38.A NZ PHE 22.A O no hydrogen 3.101 N/A LYS 38.A NZ GLU 52.A OE1 no hydrogen 3.051 N/A GLN 39.A N VAL 24.A O no hydrogen 2.992 N/A GLU 41.A N GLU 45.A OE1 no hydrogen 3.409 N/A SER 44.A N SER 42.A OG no hydrogen 3.071 N/A GLU 45.A N SER 42.A O no hydrogen 3.048 N/A ARG 46.A N GLU 43.A O no hydrogen 3.160 N/A PHE 49.A N GLU 45.A O no hydrogen 3.308 N/A ILE 50.A N ARG 46.A O no hydrogen 3.191 N/A ILE 50.A N LYS 47.A O no hydrogen 3.163 N/A VAL 51.A N LYS 47.A O no hydrogen 3.291 N/A GLU 52.A N ALA 48.A O no hydrogen 3.154 N/A ARG 54.A N ILE 50.A O no hydrogen 3.143 N/A GLN 55.A N VAL 51.A O no hydrogen 3.074 N/A LEU 56.A N GLU 52.A O no hydrogen 2.861 N/A SER 57.A N LEU 53.A O no hydrogen 2.761 N/A SER 57.A OG LEU 53.A O no hydrogen 3.375 N/A SER 57.A OG ARG 54.A O no hydrogen 2.794 N/A ARG 58.A N GLN 55.A O no hydrogen 2.820 N/A ARG 58.A NH2 GLN 123.A O no hydrogen 3.301 N/A VAL 59.A N GLN 55.A O no hydrogen 3.220 N/A ASN 63.A N HIS 61.A ND1 no hydrogen 2.975 N/A ASN 63.A ND2 GLN 111.A OE1 no hydrogen 3.300 N/A ASN 63.A ND2 LEU 146.A O no hydrogen 2.980 N/A ILE 64.A N HIS 61.A O no hydrogen 3.154 N/A VAL 65.A N ILE 148.A O no hydrogen 2.893 N/A LYS 66.A N GLU 80.A OE2 no hydrogen 2.751 N/A GLY 69.A N VAL 78.A O no hydrogen 3.300 N/A ALA 70.A N HIS 4.A O no hydrogen 2.877 N/A CYS 71.A N CYS 76.A O no hydrogen 2.925 N/A CYS 71.A SG PRO 74.A O no hydrogen 3.237 N/A CYS 71.A SG CYS 76.A O no hydrogen 3.708 N/A CYS 76.A N CYS 71.A O no hydrogen 3.004 N/A LEU 77.A N LYS 38.A O no hydrogen 3.230 N/A VAL 78.A N GLY 69.A O no hydrogen 2.867 N/A MET 79.A N ALA 36.A O no hydrogen 2.660 N/A GLU 80.A N LYS 66.A O no hydrogen 3.031 N/A GLY 85.A N ALA 82.A O no hydrogen 2.910 N/A SER 86.A OG PRO 134.A O no hydrogen 3.202 N/A LEU 87.A N LEU 137.A O no hydrogen 2.594 N/A TYR 88.A N SER 86.A OG no hydrogen 2.948 N/A TYR 88.A N PRO 134.A O no hydrogen 3.267 N/A VAL 90.A N SER 86.A O no hydrogen 3.163 N/A LEU 91.A N LEU 87.A O no hydrogen 3.008 N/A HIS 92.A N TYR 88.A O no hydrogen 2.877 N/A HIS 92.A NE2 GLU 184.A OE2 no hydrogen 2.623 N/A GLY 93.A N ASN 89.A O no hydrogen 2.719 N/A TYR 99.A N TYR 263.A O no hydrogen 2.630 N/A TYR 100.A N TYR 280.A OH no hydrogen 3.441 N/A TYR 100.A OH VAL 185.A O no hydrogen 2.555 N/A THR 101.A N HIS 104.A ND1 no hydrogen 3.219 N/A THR 101.A OG1 HIS 104.A ND1 no hydrogen 3.018 N/A HIS 104.A N THR 101.A OG1 no hydrogen 2.973 N/A HIS 104.A NE2 GLU 259.A O no hydrogen 2.526 N/A ALA 105.A N THR 101.A O no hydrogen 2.954 N/A MET 106.A N ALA 102.A O no hydrogen 2.940 N/A SER 107.A N ALA 103.A O no hydrogen 2.917 N/A TRP 108.A N HIS 104.A O no hydrogen 2.980 N/A TRP 108.A NE1 GLY 143.A O no hydrogen 2.819 N/A CYS 109.A N ALA 105.A O no hydrogen 3.314 N/A CYS 109.A SG ALA 105.A O no hydrogen 3.440 N/A LEU 110.A N MET 106.A O no hydrogen 2.830 N/A GLN 111.A N SER 107.A O no hydrogen 2.923 N/A GLN 111.A NE2 SER 107.A O no hydrogen 3.111 N/A GLN 111.A NE2 SER 107.A OG no hydrogen 2.780 N/A GLN 111.A NE2 THR 144.A O no hydrogen 3.059 N/A CYS 112.A N TRP 108.A O no hydrogen 2.995 N/A SER 113.A N CYS 109.A O no hydrogen 2.954 N/A SER 113.A OG CYS 109.A O no hydrogen 3.443 N/A SER 113.A OG LEU 110.A O no hydrogen 2.814 N/A GLN 114.A N LEU 110.A O no hydrogen 2.935 N/A GLY 115.A N GLN 111.A O no hydrogen 3.039 N/A VAL 116.A N CYS 112.A O no hydrogen 2.879 N/A ALA 117.A N SER 113.A O no hydrogen 2.786 N/A TYR 118.A N GLN 114.A O no hydrogen 3.238 N/A LEU 119.A N GLY 115.A O no hydrogen 3.274 N/A HIS 120.A N VAL 116.A O no hydrogen 2.817 N/A HIS 120.A NE2 ASP 174.A OD2 no hydrogen 2.779 N/A SER 121.A N TYR 118.A O no hydrogen 3.098 N/A SER 121.A OG ALA 117.A O no hydrogen 3.504 N/A SER 121.A OG TYR 118.A O no hydrogen 2.696 N/A MET 122.A N LEU 119.A O no hydrogen 3.211 N/A GLN 123.A NE2 SER 121.A O no hydrogen 3.534 N/A LEU 127.A N LEU 119.A O no hydrogen 2.972 N/A HIS 129.A N ASP 174.A OD2 no hydrogen 2.957 N/A HIS 129.A NE2 CYS 149.A O no hydrogen 3.209 N/A ARG 130.A N.A ASP 174.A OD1 no hydrogen 2.981 N/A ARG 130.A N.B ASP 174.A OD1 no hydrogen 2.990 N/A ARG 130.A NE.A TYR 169.A OH no hydrogen 2.993 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.046 N/A ASN 136.A N LYS 133.A O no hydrogen 2.814 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.468 N/A LEU 137.A N PRO 134.A O no hydrogen 3.091 N/A LEU 138.A N LYS 147.A O no hydrogen 2.773 N/A LEU 139.A N GLY 85.A O no hydrogen 3.143 N/A VAL 140.A N VAL 145.A O no hydrogen 2.768 N/A GLY 143.A N VAL 140.A O no hydrogen 3.033 N/A THR 144.A N VAL 140.A O no hydrogen 2.981 N/A THR 144.A OG1 ALA 141.A O no hydrogen 2.663 N/A VAL 145.A N VAL 140.A O no hydrogen 3.173 N/A LEU 146.A N GLN 111.A OE1 no hydrogen 2.956 N/A LYS 147.A N LEU 138.A O no hydrogen 2.736 N/A LYS 147.A NZ GLU 80.A OE1 no hydrogen 3.348 N/A LYS 147.A NZ GLU 80.A OE2 no hydrogen 2.428 N/A ILE 148.A N ASN 63.A O no hydrogen 2.963 N/A CYS 149.A N ASN 136.A O no hydrogen 3.190 N/A CYS 149.A SG ASN 136.A O no hydrogen 3.129 N/A SER 155.A OG ASP 131.A OD1 no hydrogen 3.118 N/A TRP 158.A N SER 155.A O no hydrogen 2.966 N/A TRP 158.A NE1 GLU 184.A OE1 no hydrogen 2.830 N/A MET 159.A N ALA 156.A O no hydrogen 3.294 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 3.021 N/A VAL 163.A N ALA 160.A O no hydrogen 2.941 N/A GLU 165.A N PRO 161.A O no hydrogen 3.145 N/A GLY 166.A N VAL 163.A O no hydrogen 2.768 N/A SER 167.A OG GLU 162.A O no hydrogen 2.936 N/A SER 167.A OG ASN 168.A O no hydrogen 3.382 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.805 N/A LYS 172.A N SER 170.A OG no hydrogen 3.261 N/A LYS 172.A NZ PRO 234.A O no hydrogen 3.070 N/A LYS 172.A NZ ARG 237.A O no hydrogen 2.695 N/A CYS 173.A N SER 170.A O no hydrogen 3.117 N/A CYS 173.A SG SER 170.A O no hydrogen 3.137 N/A CYS 173.A SG ASP 174.A OD1 no hydrogen 3.920 N/A ASP 174.A N GLU 171.A O no hydrogen 3.169 N/A VAL 175.A N LYS 172.A O no hydrogen 3.055 N/A PHE 176.A N LYS 172.A O no hydrogen 3.243 N/A SER 177.A N CYS 173.A O no hydrogen 3.196 N/A SER 177.A OG TRP 158.A O no hydrogen 2.623 N/A SER 177.A OG CYS 173.A O no hydrogen 3.342 N/A TRP 178.A N ASP 174.A O no hydrogen 3.019 N/A TRP 178.A NE1 CYS 109.A O no hydrogen 3.059 N/A GLY 179.A N VAL 175.A O no hydrogen 2.928 N/A ILE 180.A N PHE 176.A O no hydrogen 3.116 N/A ILE 181.A N SER 177.A O no hydrogen 2.957 N/A LEU 182.A N TRP 178.A O no hydrogen 2.940 N/A TRP 183.A N GLY 179.A O no hydrogen 3.334 N/A TRP 183.A NE1 PRO 213.A O no hydrogen 2.850 N/A GLU 184.A N ILE 180.A O no hydrogen 3.023 N/A VAL 185.A N ILE 181.A O no hydrogen 2.919 N/A ILE 186.A N LEU 182.A O no hydrogen 3.136 N/A THR 187.A N TRP 183.A O no hydrogen 2.990 N/A THR 187.A OG1 TRP 183.A O no hydrogen 2.739 N/A THR 187.A OG1 GLU 184.A O no hydrogen 3.449 N/A ARG 188.A NE LEU 91.A O no hydrogen 2.859 N/A ARG 188.A NH1 PRO 98.A O no hydrogen 2.975 N/A ARG 188.A NH2 VAL 90.A O no hydrogen 2.722 N/A ARG 188.A NH2 PRO 98.A O no hydrogen 3.001 N/A ARG 189.A N THR 187.A OG1 no hydrogen 3.228 N/A ASP 193.A N LYS 190.A O no hydrogen 3.293 N/A ARG 201.A N PRO 198.A O no hydrogen 3.072 N/A ARG 201.A NE GLY 196.A O no hydrogen 2.963 N/A ARG 201.A NH2 ILE 195.A O no hydrogen 3.058 N/A ILE 202.A N ALA 199.A O no hydrogen 2.890 N/A MET 203.A N ALA 199.A O no hydrogen 2.929 N/A TRP 204.A N PHE 200.A O no hydrogen 2.885 N/A ALA 205.A N ARG 201.A O no hydrogen 3.075 N/A VAL 206.A N ILE 202.A O no hydrogen 2.873 N/A HIS 207.A N MET 203.A O no hydrogen 2.893 N/A ASN 208.A N TRP 204.A O no hydrogen 3.035 N/A ASN 208.A ND2 ASN 208.A O no hydrogen 3.399 N/A GLY 209.A N VAL 206.A O no hydrogen 3.048 N/A THR 210.A N ALA 205.A O no hydrogen 3.106 N/A THR 210.A OG1 ALA 205.A O no hydrogen 3.381 N/A ARG 211.A NE TRP 230.A O no hydrogen 2.968 N/A ARG 211.A NH1 TRP 230.A O no hydrogen 2.955 N/A ARG 211.A NH2 VAL 206.A O no hydrogen 3.152 N/A ARG 211.A NH2 THR 210.A O no hydrogen 2.950 N/A LYS 216.A N VAL 277.A O no hydrogen 2.743 N/A LYS 216.A NZ GLU 278.A OE2 no hydrogen 2.805 N/A LEU 218.A N ILE 215.A O no hydrogen 3.144 N/A ILE 222.A N PRO 219.A O no hydrogen 3.001 N/A GLU 223.A N PRO 219.A O no hydrogen 2.993 N/A SER 224.A N LYS 220.A O no hydrogen 2.794 N/A SER 224.A OG LYS 220.A O no hydrogen 2.742 N/A SER 224.A OG PRO 221.A O no hydrogen 3.156 N/A LEU 225.A N PRO 221.A O no hydrogen 3.253 N/A MET 226.A N ILE 222.A O no hydrogen 2.891 N/A THR 227.A N GLU 223.A O no hydrogen 2.949 N/A THR 227.A OG1 GLU 223.A O no hydrogen 2.966 N/A THR 227.A OG1 SER 224.A O no hydrogen 3.402 N/A ARG 228.A N SER 224.A O no hydrogen 2.984 N/A ARG 228.A NH1 GLU 242.A OE2 no hydrogen 3.188 N/A ARG 228.A NH2 GLU 242.A OE1 no hydrogen 3.475 N/A ARG 228.A NH2 GLU 242.A OE2 no hydrogen 3.319 N/A CYS 229.A N LEU 225.A O no hydrogen 2.951 N/A CYS 229.A SG LEU 225.A O no hydrogen 3.393 N/A TRP 230.A N THR 227.A O no hydrogen 3.338 N/A SER 231.A N ARG 228.A O no hydrogen 3.336 N/A SER 231.A OG ARG 228.A O no hydrogen 2.630 N/A SER 235.A N ASP 233.A OD1 no hydrogen 3.070 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.509 N/A GLN 236.A N ASP 233.A O no hydrogen 3.087 N/A ARG 237.A N PRO 234.A O no hydrogen 3.077 N/A ARG 237.A NE SER 231.A O no hydrogen 3.039 N/A ARG 237.A NH1 GLU 162.A OE2 no hydrogen 3.004 N/A ARG 237.A NH1 LYS 172.A O no hydrogen 2.923 N/A ARG 237.A NH2 GLU 162.A OE1 no hydrogen 2.830 N/A ARG 237.A NH2 SER 231.A O no hydrogen 3.089 N/A GLU 242.A N SER 239.A OG no hydrogen 3.252 N/A ILE 243.A N SER 239.A O no hydrogen 3.005 N/A VAL 244.A N MET 240.A O no hydrogen 2.772 N/A LYS 245.A N GLU 241.A O no hydrogen 3.155 N/A ILE 246.A N GLU 242.A O no hydrogen 2.968 N/A MET 247.A N ILE 243.A O no hydrogen 2.843 N/A THR 248.A N VAL 244.A O no hydrogen 2.892 N/A THR 248.A OG1 VAL 244.A O no hydrogen 2.530 N/A HIS 249.A N LYS 245.A O no hydrogen 3.028 N/A LEU 250.A N ILE 246.A O no hydrogen 2.918 N/A MET 251.A N MET 247.A O no hydrogen 3.096 N/A ARG 252.A N HIS 249.A O no hydrogen 3.195 N/A ARG 252.A NE ASP 293.A OD2 no hydrogen 2.745 N/A ARG 252.A NH2 ASP 293.A OD1 no hydrogen 3.229 N/A ARG 252.A NH2 ASP 293.A OD2 no hydrogen 3.372 N/A TYR 253.A N LEU 250.A O no hydrogen 2.793 N/A TYR 253.A OH ASP 293.A OD2 no hydrogen 2.597 N/A PHE 254.A N MET 251.A O no hydrogen 3.074 N/A GLU 259.A N GLY 256.A O no hydrogen 3.126 N/A LEU 261.A N GLY 142.A O no hydrogen 2.922 N/A CYS 265.A SG HIS 267.A ND1 no hydrogen 3.818 N/A CYS 265.A SG TYR 280.A OH no hydrogen 3.382 N/A VAL 277.A N LEU 214.A O no hydrogen 2.973 N/A TYR 280.A N ILE 186.A O no hydrogen 2.778 N/A VAL 281.A N ILE 186.A O no hydrogen 3.393 N/A ALA 284.A N ASP 282.A OD1 no hydrogen 3.069 N/A TYR 287.A N PHE 283.A O no hydrogen 2.914 N/A TYR 287.A OH ASN 217.A O no hydrogen 2.729 N/A ARG 288.A N ALA 284.A O no hydrogen 3.064 N/A ARG 288.A NE GLU 285.A OE1 no hydrogen 2.914 N/A ARG 288.A NH1 GLU 285.A OE1 no hydrogen 2.807 N/A LEU 289.A N GLU 285.A O no hydrogen 2.972 N/A TRP 290.A N PHE 286.A O no hydrogen 2.891 N/A SER 291.A N TYR 287.A O no hydrogen 3.085 N/A SER 291.A OG GLY 295.A O no hydrogen 3.183 N/A VAL 292.A N ARG 288.A O no hydrogen 3.236 N/A HIS 294.A N TRP 290.A O no hydrogen 2.968 N/A HIS 294.A ND1 TRP 290.A O no hydrogen 3.041 N/A