Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rr6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASN 53.A O no hydrogen 2.813 N/A THR 4.A N ASP 7.A OD2 no hydrogen 2.958 N/A THR 4.A OG1 ASP 7.A OD2 no hydrogen 3.149 N/A ASP 7.A N THR 4.A O no hydrogen 3.241 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.384 N/A TYR 8.A OH ASN 1.A OD1 no hydrogen 3.362 N/A LYS 9.A N TYR 5.A O no hydrogen 3.191 N/A ASN 10.A N GLU 6.A O no hydrogen 2.755 N/A THR 11.A N ASP 7.A O no hydrogen 3.161 N/A THR 11.A OG1 ASP 7.A O no hydrogen 3.095 N/A THR 11.A OG1 PRO 52.A O no hydrogen 2.830 N/A THR 11.A OG1 ASN 53.A OD1 no hydrogen 3.354 N/A ALA 12.A N TYR 8.A O no hydrogen 2.985 N/A GLU 13.A N LYS 9.A O no hydrogen 2.745 N/A TRP 14.A N ASN 10.A O no hydrogen 2.941 N/A LEU 15.A N THR 11.A O no hydrogen 3.143 N/A LEU 16.A N ALA 12.A O no hydrogen 2.770 N/A SER 17.A N GLU 13.A O no hydrogen 2.844 N/A SER 17.A OG GLU 13.A O no hydrogen 3.315 N/A SER 17.A OG TRP 14.A O no hydrogen 3.331 N/A SER 17.A OG HIS 18.A ND1 no hydrogen 3.348 N/A HIS 18.A N LEU 15.A O no hydrogen 2.875 N/A THR 19.A OG1 GLN 44.A OE1 no hydrogen 2.619 N/A HIS 21.A N THR 19.A OG1 no hydrogen 3.303 N/A ARG 22.A NH1 THR 19.A O no hydrogen 2.856 N/A ARG 22.A NH1 HIS 21.A O no hydrogen 2.529 N/A ARG 22.A NH2 LEU 16.A O no hydrogen 2.739 N/A GLN 24.A N ALA 75.A O no hydrogen 2.699 N/A VAL 25.A N ALA 75.A O no hydrogen 3.105 N/A ALA 26.A N THR 108.A O no hydrogen 2.872 N/A ILE 27.A N VAL 77.A O no hydrogen 2.814 N/A ILE 28.A N VAL 110.A O no hydrogen 2.796 N/A CYS 29.A N MET 79.A O no hydrogen 3.223 N/A CYS 29.A SG MET 79.A O no hydrogen 3.653 N/A GLY 30.A N THR 112.A OG1 no hydrogen 2.665 N/A LEU 33.A N GLY 30.A O no hydrogen 3.290 N/A LEU 36.A N LEU 33.A O no hydrogen 3.436 N/A THR 37.A N GLY 34.A O no hydrogen 3.261 N/A ASP 38.A N GLY 35.A O no hydrogen 2.694 N/A LEU 40.A N THR 37.A O no hydrogen 3.385 N/A THR 41.A N PHE 70.A O no hydrogen 2.864 N/A THR 41.A OG1 PHE 70.A O no hydrogen 3.542 N/A GLN 44.A N PHE 68.A O no hydrogen 2.881 N/A GLN 44.A NE2 HIS 18.A O no hydrogen 2.851 N/A PHE 46.A N LEU 66.A O no hydrogen 2.908 N/A ASP 47.A N GLU 50.A OE2 no hydrogen 3.072 N/A TYR 48.A N GLY 64.A O no hydrogen 2.661 N/A TYR 48.A OH GLY 81.A O no hydrogen 2.545 N/A GLU 50.A N ASP 47.A O no hydrogen 3.180 N/A ILE 51.A N TYR 48.A O no hydrogen 2.783 N/A PHE 54.A N ILE 51.A O no hydrogen 3.115 N/A ARG 65.A N GLN 80.A O no hydrogen 3.396 N/A ARG 65.A NH2 GLN 80.A OE1 no hydrogen 2.807 N/A LEU 66.A N PHE 46.A O no hydrogen 2.611 N/A VAL 67.A N MET 78.A O no hydrogen 2.880 N/A PHE 68.A N GLN 44.A O no hydrogen 2.778 N/A PHE 70.A N THR 41.A O no hydrogen 3.024 N/A LEU 71.A N ARG 74.A O no hydrogen 3.023 N/A ASN 72.A ND2 SER 274.A O no hydrogen 3.042 N/A ARG 74.A NE ILE 280.A O no hydrogen 3.220 N/A ARG 74.A NH1 GLY 73.A O no hydrogen 2.744 N/A ARG 74.A NH2 ILE 280.A O no hydrogen 2.573 N/A CYS 76.A N GLY 69.A O no hydrogen 2.851 N/A CYS 76.A SG ARG 74.A O no hydrogen 3.697 N/A MET 78.A N VAL 67.A O no hydrogen 2.869 N/A MET 79.A N ILE 27.A O no hydrogen 2.797 N/A GLN 80.A N ARG 65.A O no hydrogen 3.024 N/A ARG 82.A NE GLU 222.A OE1 no hydrogen 3.349 N/A ARG 82.A NH1 THR 112.A O no hydrogen 3.291 N/A ARG 82.A NH2 GLU 222.A OE1 no hydrogen 2.672 N/A HIS 84.A N GLU 87.A OE2 no hydrogen 3.025 N/A HIS 84.A ND1 GLU 87.A OE2 no hydrogen 2.877 N/A GLU 87.A N HIS 84.A O no hydrogen 3.321 N/A GLY 88.A N MET 85.A O no hydrogen 2.830 N/A TYR 89.A OH ARG 56.A O no hydrogen 3.099 N/A LYS 93.A N PRO 90.A O no hydrogen 2.737 N/A VAL 94.A N PRO 90.A O no hydrogen 3.179 N/A THR 95.A N LEU 91.A O no hydrogen 3.142 N/A THR 95.A OG1 LEU 91.A O no hydrogen 2.810 N/A PHE 96.A N LYS 93.A O no hydrogen 3.097 N/A ARG 99.A N PHE 96.A O no hydrogen 3.298 N/A VAL 100.A N PHE 96.A O no hydrogen 3.329 N/A PHE 101.A N PRO 97.A O no hydrogen 2.789 N/A HIS 102.A N VAL 98.A O no hydrogen 3.289 N/A LEU 103.A N ARG 99.A O no hydrogen 3.265 N/A LEU 104.A N VAL 100.A O no hydrogen 3.038 N/A LEU 104.A N PHE 101.A O no hydrogen 2.864 N/A GLY 105.A N HIS 102.A O no hydrogen 2.966 N/A VAL 106.A N PHE 101.A O no hydrogen 3.156 N/A ASP 107.A N GLN 24.A O no hydrogen 2.813 N/A THR 108.A OG1 ASP 107.A OD2 no hydrogen 2.760 N/A LEU 109.A N ARG 232.A O no hydrogen 2.780 N/A VAL 110.A N ALA 26.A O no hydrogen 2.855 N/A VAL 111.A N PHE 234.A O no hydrogen 2.929 N/A THR 112.A N ILE 28.A O no hydrogen 3.058 N/A THR 112.A OG1 ILE 28.A O no hydrogen 3.162 N/A ASN 113.A N PHE 236.A O no hydrogen 3.230 N/A ASN 113.A ND2 THR 219.A OG1 no hydrogen 2.806 N/A ALA 115.A N LEU 238.A O no hydrogen 3.337 N/A GLY 116.A N VAL 215.A O no hydrogen 2.994 N/A GLY 117.A N ASN 241.A O no hydrogen 2.619 N/A LEU 118.A N ASP 213.A O no hydrogen 2.772 N/A ASN 119.A N ASP 213.A O no hydrogen 2.949 N/A ASN 119.A ND2 ASP 213.A OD1 no hydrogen 3.324 N/A LYS 121.A N ASN 119.A OD1 no hydrogen 2.939 N/A PHE 122.A N ASN 119.A O no hydrogen 3.252 N/A VAL 124.A N GLU 123.A OE1 no hydrogen 3.236 N/A GLY 125.A N ILE 239.A O no hydrogen 2.971 N/A ASP 126.A N GLU 123.A O no hydrogen 2.801 N/A MET 128.A N SER 237.A O no hydrogen 2.865 N/A LEU 129.A N GLN 186.A O no hydrogen 2.628 N/A ILE 130.A N GLY 235.A O no hydrogen 3.121 N/A ARG 131.A N GLY 188.A O no hydrogen 2.826 N/A ARG 131.A NH1 GLU 187.A OE1 no hydrogen 3.568 N/A HIS 133.A N ASP 132.A OD1 no hydrogen 2.671 N/A HIS 133.A ND1 TYR 164.A OH no hydrogen 2.841 N/A ILE 134.A N TYR 190.A O no hydrogen 3.043 N/A GLY 138.A N ASN 135.A OD1 no hydrogen 2.933 N/A PHE 139.A N ASN 135.A O no hydrogen 3.262 N/A PHE 139.A N LEU 136.A O no hydrogen 3.184 N/A SER 140.A N PRO 137.A O no hydrogen 3.197 N/A GLY 141.A N GLY 138.A O no hydrogen 3.168 N/A GLN 142.A N PRO 137.A O no hydrogen 3.098 N/A LEU 145.A N ASN 143.A OD1 no hydrogen 2.717 N/A ARG 146.A N ASN 143.A O no hydrogen 2.896 N/A ASN 149.A ND2 GLY 154.A O no hydrogen 3.050 N/A ARG 152.A N ASP 150.A OD1 no hydrogen 3.339 N/A ARG 152.A NE ASP 150.A OD1 no hydrogen 3.508 N/A PHE 153.A N ASP 150.A O no hydrogen 2.741 N/A GLY 154.A N ASP 150.A O no hydrogen 3.288 N/A ARG 156.A NE ARG 156.A O no hydrogen 3.007 N/A ARG 156.A NH1 GLY 147.A O no hydrogen 2.818 N/A ARG 156.A NH2 LEU 145.A O no hydrogen 3.136 N/A ARG 156.A NH2 GLY 147.A O no hydrogen 3.022 N/A ALA 163.A N MET 160.A O no hydrogen 3.045 N/A TYR 164.A OH HIS 133.A ND1 no hydrogen 2.841 N/A ASP 165.A N VAL 233.A O no hydrogen 3.020 N/A MET 168.A N ASP 165.A OD2 no hydrogen 2.697 N/A ARG 169.A N ASP 165.A O no hydrogen 3.157 N/A ARG 169.A NE ASP 165.A O no hydrogen 3.330 N/A GLN 170.A N ARG 166.A O no hydrogen 3.002 N/A ARG 171.A N THR 167.A O no hydrogen 2.799 N/A ARG 171.A NH1 SER 279.A O no hydrogen 2.642 N/A ALA 172.A N MET 168.A O no hydrogen 2.806 N/A LEU 173.A N ARG 169.A O no hydrogen 3.376 N/A SER 174.A N GLN 170.A O no hydrogen 3.323 N/A SER 174.A OG GLN 170.A O no hydrogen 3.225 N/A THR 175.A N ARG 171.A O no hydrogen 3.227 N/A THR 175.A OG1 ARG 171.A O no hydrogen 3.181 N/A TRP 176.A N ALA 172.A O no hydrogen 3.148 N/A TRP 176.A NE1 ARG 183.A O no hydrogen 2.741 N/A LYS 177.A N LEU 173.A O no hydrogen 3.228 N/A GLN 178.A N SER 174.A O no hydrogen 2.955 N/A GLY 180.A N LYS 177.A O no hydrogen 2.687 N/A GLN 182.A N GLN 182.A OE1 no hydrogen 2.742 N/A ARG 183.A NE ASP 126.A OD1 no hydrogen 3.314 N/A ARG 183.A NH2 LYS 121.A O no hydrogen 3.556 N/A ARG 183.A NH2 ASP 126.A OD1 no hydrogen 3.064 N/A ARG 183.A NH2 ASP 126.A OD2 no hydrogen 3.004 N/A GLN 186.A N ILE 127.A O no hydrogen 3.298 N/A GLY 188.A N LEU 129.A O no hydrogen 2.862 N/A THR 189.A N ASP 213.A OD2 no hydrogen 2.559 N/A TYR 190.A N ASP 132.A O no hydrogen 2.757 N/A TYR 190.A OH SER 218.A O no hydrogen 3.360 N/A VAL 191.A N ALA 214.A O no hydrogen 2.836 N/A MET 192.A N ILE 134.A O no hydrogen 3.174 N/A VAL 193.A N GLY 216.A O no hydrogen 3.097 N/A THR 200.A N GLU 203.A OE1 no hydrogen 3.150 N/A GLU 203.A N THR 200.A OG1 no hydrogen 2.949 N/A CYS 204.A N THR 200.A O no hydrogen 3.046 N/A CYS 204.A SG THR 200.A O no hydrogen 3.543 N/A CYS 204.A SG ILE 244.A O no hydrogen 3.824 N/A ARG 205.A N VAL 201.A O no hydrogen 3.036 N/A ARG 205.A NH1 GLN 208.A OE1 no hydrogen 3.306 N/A VAL 206.A N ALA 202.A O no hydrogen 3.142 N/A LEU 207.A N GLU 203.A O no hydrogen 3.054 N/A GLN 208.A N CYS 204.A O no hydrogen 2.920 N/A GLN 208.A NE2 LEU 118.A O no hydrogen 2.624 N/A LYS 209.A N ARG 205.A O no hydrogen 3.001 N/A LEU 210.A N VAL 206.A O no hydrogen 2.855 N/A GLY 211.A N GLN 208.A O no hydrogen 2.776 N/A ALA 212.A N LEU 207.A O no hydrogen 3.076 N/A ASP 213.A N THR 189.A O no hydrogen 2.902 N/A ALA 214.A N THR 189.A O no hydrogen 3.132 N/A VAL 215.A N GLY 116.A O no hydrogen 3.260 N/A GLY 216.A N VAL 191.A O no hydrogen 3.126 N/A SER 218.A N TYR 190.A OH no hydrogen 3.297 N/A SER 218.A OG THR 219.A OG1 no hydrogen 3.291 N/A THR 219.A OG1 SER 218.A OG no hydrogen 3.291 N/A VAL 220.A N SER 218.A O no hydrogen 2.704 N/A GLU 222.A N GLU 222.A OE2 no hydrogen 3.141 N/A VAL 223.A N THR 219.A O no hydrogen 2.896 N/A ILE 224.A N VAL 220.A O no hydrogen 2.962 N/A VAL 225.A N PRO 221.A O no hydrogen 3.050 N/A ALA 226.A N GLU 222.A O no hydrogen 2.898 N/A ARG 227.A N VAL 223.A O no hydrogen 2.815 N/A HIS 228.A N ILE 224.A O no hydrogen 2.983 N/A HIS 228.A NE2 ASN 149.A OD1 no hydrogen 3.107 N/A HIS 228.A NE2 ASP 155.A O no hydrogen 2.703 N/A CYS 229.A N ALA 226.A O no hydrogen 2.551 N/A GLY 230.A N ALA 226.A O no hydrogen 3.068 N/A GLY 230.A N ARG 227.A O no hydrogen 3.129 N/A LEU 231.A N ALA 226.A O no hydrogen 3.416 N/A ARG 232.A N ASP 107.A O no hydrogen 3.024 N/A PHE 234.A N LEU 109.A O no hydrogen 3.037 N/A PHE 236.A N VAL 111.A O no hydrogen 3.053 N/A SER 237.A N MET 128.A O no hydrogen 2.741 N/A SER 237.A OG ASN 113.A OD1 no hydrogen 2.692 N/A LEU 238.A N ASN 113.A O no hydrogen 2.906 N/A ILE 239.A N ASP 126.A O no hydrogen 3.156 N/A THR 240.A N ALA 115.A O no hydrogen 3.148 N/A THR 240.A OG1 ASN 241.A OD1 no hydrogen 2.819 N/A LYS 242.A NZ GLU 123.A OE2 no hydrogen 3.011 N/A VAL 243.A N GLY 117.A O no hydrogen 3.154 N/A GLU 251.A N SER 249.A OG no hydrogen 3.264 N/A GLU 257.A N ASN 254.A OD1 no hydrogen 2.739 N/A VAL 258.A N ASN 254.A O no hydrogen 3.117 N/A LEU 259.A N HIS 255.A O no hydrogen 2.916 N/A ALA 260.A N GLU 256.A O no hydrogen 2.872 N/A ALA 261.A N GLU 257.A O no hydrogen 3.212 N/A GLY 262.A N VAL 258.A O no hydrogen 3.090 N/A LYS 263.A N LEU 259.A O no hydrogen 2.922 N/A GLN 264.A N ALA 260.A O no hydrogen 3.208 N/A ALA 265.A N ALA 261.A O no hydrogen 3.139 N/A LYS 268.A N GLN 267.A OE1 no hydrogen 2.668 N/A LYS 268.A NZ GLY 125.A O no hydrogen 3.236 N/A LEU 269.A N ALA 265.A O no hydrogen 2.947 N/A LEU 269.A N ALA 266.A O no hydrogen 3.247 N/A GLU 270.A N ALA 266.A O no hydrogen 3.336 N/A GLN 271.A N GLN 267.A O no hydrogen 2.993 N/A PHE 272.A N LYS 268.A O no hydrogen 3.402 N/A VAL 273.A N LEU 269.A O no hydrogen 3.087 N/A SER 274.A N GLU 270.A O no hydrogen 2.838 N/A ILE 275.A N GLN 271.A O no hydrogen 2.954 N/A LEU 276.A N PHE 272.A O no hydrogen 3.158 N/A MET 277.A N VAL 273.A O no hydrogen 3.261 N/A MET 277.A N SER 274.A O no hydrogen 3.243 N/A ALA 278.A N ILE 275.A O no hydrogen 2.926 N/A SER 279.A N LEU 276.A O no hydrogen 2.738 N/A ILE 280.A N MET 277.A O no hydrogen 3.311 N/A