Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cwt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH GLU 68.A OE2 no hydrogen 2.473 N/A LEU 4.A N LEU 59.A O no hydrogen 2.794 N/A TRP 6.A N HIS 57.A O no hydrogen 3.200 N/A GLN 7.A NE2 LEU 84.A O no hydrogen 3.582 N/A TYR 10.A OH PHE 82.A O no hydrogen 2.959 N/A ASP 11.A N GLY 104.A O no hydrogen 2.726 N/A TRP 12.A N TYR 10.A O no hydrogen 3.054 N/A TRP 14.A N ASP 11.A OD1 no hydrogen 2.895 N/A MET 15.A N ASP 11.A O no hydrogen 3.103 N/A LEU 16.A N TRP 12.A O no hydrogen 2.865 N/A GLY 17.A N SER 13.A O no hydrogen 2.941 N/A PHE 18.A N TRP 14.A O no hydrogen 2.773 N/A LEU 19.A N MET 15.A O no hydrogen 2.952 N/A ALA 20.A N LEU 16.A O no hydrogen 2.823 N/A ALA 21.A N GLY 17.A O no hydrogen 3.174 N/A ARG 22.A N LEU 19.A O no hydrogen 3.144 N/A ARG 22.A NH1 PHE 18.A O no hydrogen 2.770 N/A ALA 23.A N ALA 20.A O no hydrogen 3.183 N/A VAL 24.A N GLU 28.A OE2 no hydrogen 2.906 N/A VAL 27.A N VAL 24.A O no hydrogen 2.890 N/A GLU 28.A N VAL 24.A O no hydrogen 2.941 N/A THR 29.A N ALA 36.A O no hydrogen 2.733 N/A THR 29.A OG1 TYR 152.A OH no hydrogen 3.124 N/A ALA 31.A N TYR 34.A O no hydrogen 2.989 N/A TYR 35.A N ALA 50.A O no hydrogen 2.876 N/A TYR 35.A OH GLU 28.A OE1 no hydrogen 2.692 N/A ALA 36.A N THR 29.A O no hydrogen 2.849 N/A ARG 37.A N VAL 48.A O no hydrogen 3.083 N/A ARG 37.A NE SER 38.A O no hydrogen 2.827 N/A ARG 37.A NH1 GLU 115.A OE1 no hydrogen 3.402 N/A ARG 37.A NH1 GLU 115.A OE2 no hydrogen 2.979 N/A ARG 37.A NH2 SER 38.A O no hydrogen 3.521 N/A ARG 37.A NH2 GLU 115.A OE1 no hydrogen 2.698 N/A SER 38.A N VAL 27.A O no hydrogen 2.974 N/A SER 38.A OG ILE 153.A O no hydrogen 2.746 N/A LEU 39.A N GLY 46.A O no hydrogen 3.033 N/A VAL 41.A N TYR 44.A O no hydrogen 2.923 N/A TYR 44.A N VAL 41.A O no hydrogen 3.076 N/A ARG 45.A NH1 GLU 144.A OE1 no hydrogen 3.311 N/A GLY 46.A N LEU 39.A O no hydrogen 3.195 N/A VAL 47.A N SER 64.A OG no hydrogen 2.778 N/A VAL 48.A N ARG 37.A O no hydrogen 3.105 N/A THR 49.A N ASN 62.A O no hydrogen 2.915 N/A ALA 50.A N TYR 35.A O no hydrogen 2.618 N/A ILE 51.A N HIS 60.A O no hydrogen 2.726 N/A ASP 53.A N THR 58.A O no hydrogen 2.835 N/A ARG 56.A N ASP 53.A O no hydrogen 3.361 N/A HIS 57.A ND1 HIS 57.A O no hydrogen 3.087 N/A THR 58.A N ASP 53.A O no hydrogen 3.157 N/A THR 58.A OG1 ARG 56.A O no hydrogen 3.270 N/A LEU 59.A N LEU 4.A O no hydrogen 2.622 N/A HIS 60.A N ILE 51.A O no hydrogen 2.936 N/A ILE 61.A N TYR 2.A O no hydrogen 2.865 N/A ASN 62.A N THR 49.A O no hydrogen 2.892 N/A SER 64.A N VAL 47.A O no hydrogen 2.979 N/A LEU 67.A N SER 64.A O no hydrogen 2.928 N/A GLU 68.A N ALA 65.A O no hydrogen 3.357 N/A VAL 70.A N LEU 67.A O no hydrogen 2.945 N/A ALA 71.A N GLU 68.A O no hydrogen 3.084 N/A GLU 73.A N VAL 70.A O no hydrogen 3.154 N/A CYS 74.A N VAL 70.A O no hydrogen 3.206 N/A CYS 74.A SG VAL 70.A O no hydrogen 3.451 N/A LEU 75.A N ALA 71.A O no hydrogen 3.010 N/A ALA 76.A N ALA 72.A O no hydrogen 3.048 N/A LYS 77.A N GLU 73.A O no hydrogen 2.954 N/A LYS 77.A NZ VAL 111.A O no hydrogen 3.045 N/A MET 78.A N CYS 74.A O no hydrogen 3.010 N/A SER 79.A N LEU 75.A O no hydrogen 2.841 N/A SER 79.A OG ALA 76.A O no hydrogen 2.616 N/A ARG 80.A N ALA 76.A O no hydrogen 3.009 N/A LEU 81.A N LYS 77.A O no hydrogen 2.986 N/A PHE 82.A N MET 78.A O no hydrogen 2.898 N/A ASP 83.A N ARG 80.A O no hydrogen 3.460 N/A LEU 84.A N SER 79.A O no hydrogen 3.188 N/A GLN 85.A NE2 ASP 83.A OD1 no hydrogen 2.874 N/A CYS 86.A N ASP 83.A O no hydrogen 3.187 N/A CYS 86.A SG TYR 266.A OH no hydrogen 3.578 N/A ILE 90.A N ASN 87.A O no hydrogen 3.032 N/A ILE 90.A N ASN 87.A OD1 no hydrogen 3.196 N/A VAL 91.A N ASN 87.A O no hydrogen 3.423 N/A ASN 92.A N PRO 88.A O no hydrogen 2.704 N/A ASN 92.A ND2 PRO 103.A O no hydrogen 3.061 N/A GLY 93.A N GLN 89.A O no hydrogen 3.179 N/A ALA 94.A N VAL 91.A O no hydrogen 3.256 N/A LEU 95.A N VAL 91.A O no hydrogen 2.893 N/A GLY 96.A N ASN 92.A O no hydrogen 2.977 N/A LEU 98.A N LEU 95.A O no hydrogen 3.283 N/A ARG 102.A N GLY 99.A O no hydrogen 3.064 N/A ARG 102.A NH1 TYR 273.A O no hydrogen 2.713 N/A LEU 105.A N ARG 102.A O no hydrogen 3.144 N/A ARG 106.A NE ASP 83.A O no hydrogen 3.253 N/A ARG 106.A NH1 ASP 83.A O no hydrogen 3.450 N/A ARG 106.A NH2 GLN 7.A O no hydrogen 3.209 N/A LEU 107.A N ASP 83.A OD2 no hydrogen 2.936 N/A GLY 109.A N LEU 81.A O no hydrogen 2.907 N/A CYS 110.A SG ARG 226.A O no hydrogen 3.544 N/A CYS 110.A SG GLY 227.A O no hydrogen 3.592 N/A GLU 115.A N ASP 112.A OD2 no hydrogen 3.220 N/A GLN 116.A N ASP 112.A O no hydrogen 3.013 N/A GLY 117.A N ALA 113.A O no hydrogen 2.809 N/A VAL 118.A N PHE 114.A O no hydrogen 2.880 N/A ARG 119.A N GLU 115.A O no hydrogen 2.801 N/A ARG 119.A NE GLU 115.A OE2 no hydrogen 3.027 N/A ARG 119.A NH1 GLU 28.A OE2 no hydrogen 3.258 N/A ARG 119.A NH2 GLU 28.A OE2 no hydrogen 2.754 N/A ARG 119.A NH2 GLU 115.A OE2 no hydrogen 2.681 N/A ALA 120.A N GLN 116.A O no hydrogen 2.845 N/A ILE 121.A N GLY 117.A O no hydrogen 3.149 N/A LEU 122.A N VAL 118.A O no hydrogen 3.148 N/A GLY 123.A N ALA 120.A O no hydrogen 2.941 N/A GLN 124.A N ILE 121.A O no hydrogen 3.175 N/A VAL 126.A N GLN 124.A O no hydrogen 2.787 N/A MET 130.A N SER 127.A OG no hydrogen 2.860 N/A ALA 131.A N SER 127.A O no hydrogen 2.960 N/A ALA 132.A N VAL 128.A O no hydrogen 3.059 N/A LYS 133.A N ALA 129.A O no hydrogen 3.169 N/A LEU 134.A N MET 130.A O no hydrogen 2.884 N/A THR 135.A N ALA 131.A O no hydrogen 2.656 N/A THR 135.A OG1 ALA 131.A O no hydrogen 2.959 N/A ALA 136.A N ALA 132.A O no hydrogen 3.065 N/A ARG 137.A N LYS 133.A O no hydrogen 3.139 N/A ARG 137.A N LEU 134.A O no hydrogen 2.858 N/A ARG 137.A NH2 LEU 172.A O no hydrogen 2.726 N/A VAL 138.A N LEU 134.A O no hydrogen 3.036 N/A ALA 139.A N THR 135.A O no hydrogen 2.999 N/A GLN 140.A N ALA 136.A O no hydrogen 3.000 N/A LEU 141.A N ARG 137.A O no hydrogen 3.026 N/A TYR 142.A N VAL 138.A O no hydrogen 2.963 N/A GLY 143.A N ALA 139.A O no hydrogen 2.553 N/A LEU 146.A N TYR 152.A O no hydrogen 3.277 N/A TYR 152.A N PHE 149.A O no hydrogen 3.030 N/A TYR 152.A OH THR 29.A OG1 no hydrogen 3.124 N/A ILE 153.A N SER 26.A O no hydrogen 2.680 N/A CYS 154.A N GLU 144.A O no hydrogen 2.697 N/A ARG 160.A N THR 157.A OG1 no hydrogen 3.284 N/A LEU 161.A N THR 157.A O no hydrogen 3.254 N/A ALA 162.A N PRO 158.A O no hydrogen 3.048 N/A ALA 163.A N ARG 160.A O no hydrogen 3.320 N/A ALA 164.A N LEU 161.A O no hydrogen 3.356 N/A ALA 168.A N ASP 165.A O no hydrogen 2.830 N/A LEU 169.A N ASP 165.A O no hydrogen 3.186 N/A LYS 170.A N PRO 166.A O no hydrogen 2.913 N/A ALA 171.A N GLN 167.A O no hydrogen 3.060 N/A LEU 172.A N LEU 169.A O no hydrogen 3.095 N/A GLY 173.A N LYS 170.A O no hydrogen 3.061 N/A MET 174.A N LYS 170.A O no hydrogen 3.402 N/A ARG 178.A N PRO 175.A O no hydrogen 3.211 N/A ALA 179.A N PRO 175.A O no hydrogen 3.261 N/A GLU 180.A N LEU 176.A O no hydrogen 2.919 N/A ALA 181.A N LYS 177.A O no hydrogen 3.005 N/A LEU 182.A N ARG 178.A O no hydrogen 3.082 N/A ILE 183.A N ALA 179.A O no hydrogen 3.213 N/A HIS 184.A N GLU 180.A O no hydrogen 2.902 N/A LEU 185.A N ALA 181.A O no hydrogen 3.011 N/A ALA 186.A N LEU 182.A O no hydrogen 2.972 N/A ASN 187.A N ILE 183.A O no hydrogen 3.188 N/A ALA 188.A N HIS 184.A O no hydrogen 3.017 N/A ALA 189.A N LEU 185.A O no hydrogen 2.940 N/A LEU 190.A N ALA 186.A O no hydrogen 2.909 N/A GLU 191.A N ASN 187.A O no hydrogen 2.907 N/A GLY 192.A N ALA 189.A O no hydrogen 3.196 N/A THR 193.A N ALA 188.A O no hydrogen 2.682 N/A GLN 204.A N ASP 201.A O no hydrogen 3.186 N/A GLN 204.A N ASP 201.A OD1 no hydrogen 2.645 N/A GLN 204.A NE2 THR 208.A OG1 no hydrogen 3.201 N/A ALA 205.A N ASP 201.A O no hydrogen 3.170 N/A MET 206.A N VAL 202.A O no hydrogen 2.929 N/A LYS 207.A N GLU 203.A O no hydrogen 3.126 N/A THR 208.A N GLN 204.A O no hydrogen 2.924 N/A THR 208.A OG1 GLN 204.A O no hydrogen 3.419 N/A LEU 209.A N ALA 205.A O no hydrogen 2.741 N/A GLN 210.A N MET 206.A O no hydrogen 3.015 N/A GLN 210.A N LYS 207.A O no hydrogen 3.232 N/A GLN 210.A NE2 MET 206.A O no hydrogen 3.374 N/A THR 211.A N THR 208.A O no hydrogen 3.108 N/A THR 211.A OG1 THR 208.A O no hydrogen 2.658 N/A PHE 212.A N LEU 209.A O no hydrogen 3.137 N/A ILE 215.A N PHE 212.A O no hydrogen 3.405 N/A ARG 217.A NE ASP 237.A OD2 no hydrogen 2.881 N/A ARG 217.A NH2 ASP 237.A OD1 no hydrogen 3.272 N/A ARG 217.A NH2 ASP 237.A OD2 no hydrogen 3.026 N/A TRP 218.A NE1 ASP 238.A OD1 no hydrogen 3.097 N/A THR 219.A OG1 GLN 124.A OE1 no hydrogen 2.759 N/A ALA 220.A N GLY 216.A O no hydrogen 3.128 N/A ASN 221.A N ARG 217.A O no hydrogen 2.987 N/A TYR 222.A N TRP 218.A O no hydrogen 2.810 N/A PHE 223.A N THR 219.A O no hydrogen 2.802 N/A ALA 224.A N ALA 220.A O no hydrogen 2.951 N/A LEU 225.A N ASN 221.A O no hydrogen 2.972 N/A ARG 226.A N TYR 222.A O no hydrogen 3.009 N/A ARG 226.A NE TYR 222.A OH no hydrogen 2.977 N/A ARG 226.A NH1 PRO 108.A O no hydrogen 3.375 N/A GLY 227.A N PHE 223.A O no hydrogen 2.456 N/A TRP 228.A N ALA 224.A O no hydrogen 3.148 N/A TRP 228.A NE1 PRO 195.A O no hydrogen 2.851 N/A GLN 229.A NE2 ARG 226.A O no hydrogen 2.986 N/A GLN 229.A NE2 GLY 227.A O no hydrogen 3.268 N/A ALA 230.A N ALA 224.A O no hydrogen 3.039 N/A LYS 231.A NZ GLN 229.A O no hydrogen 2.874 N/A VAL 233.A N SER 265.A OG no hydrogen 3.049 N/A ASP 238.A N LEU 235.A O no hydrogen 2.836 N/A LEU 240.A N ASP 238.A OD2 no hydrogen 3.021 N/A ILE 241.A N ASP 238.A OD2 no hydrogen 3.422 N/A LYS 242.A N ASP 238.A O no hydrogen 3.035 N/A LYS 242.A NZ PRO 236.A O no hydrogen 3.011 N/A LYS 242.A NZ ASP 237.A OD1 no hydrogen 3.419 N/A ARG 244.A N LEU 240.A O no hydrogen 2.981 N/A ARG 244.A NE ILE 271.A O no hydrogen 2.941 N/A ARG 244.A NH2 TRP 272.A O no hydrogen 3.261 N/A PHE 245.A N ILE 241.A O no hydrogen 3.086 N/A MET 248.A N PHE 245.A O no hydrogen 3.234 N/A THR 249.A N GLN 252.A OE1 no hydrogen 2.558 N/A GLN 252.A N THR 249.A O no hydrogen 2.670 N/A ILE 253.A N THR 249.A O no hydrogen 3.050 N/A ARG 254.A N PRO 250.A O no hydrogen 3.369 N/A ARG 254.A N ALA 251.A O no hydrogen 3.264 N/A ARG 255.A N ALA 251.A O no hydrogen 3.057 N/A TYR 256.A N GLN 252.A O no hydrogen 2.971 N/A ALA 257.A N ILE 253.A O no hydrogen 2.844 N/A GLU 258.A N ARG 254.A O no hydrogen 2.893 N/A ARG 259.A N TYR 256.A O no hydrogen 3.188 N/A ARG 259.A NE TYR 256.A O no hydrogen 3.137 N/A TRP 260.A N ALA 257.A O no hydrogen 2.949 N/A LYS 261.A N GLU 258.A O no hydrogen 3.106 N/A TRP 263.A N TRP 260.A O no hydrogen 2.884 N/A ARG 264.A N ASP 232.A OD1 no hydrogen 3.054 N/A ARG 264.A NE ASP 232.A OD1 no hydrogen 2.644 N/A ARG 264.A NH2 ASP 232.A OD1 no hydrogen 3.518 N/A ARG 264.A NH2 ASP 232.A OD2 no hydrogen 2.711 N/A SER 265.A N LYS 231.A O no hydrogen 2.893 N/A SER 265.A OG ALA 230.A O no hydrogen 2.540 N/A SER 265.A OG VAL 233.A O no hydrogen 3.497 N/A TYR 266.A OH ASP 83.A OD2 no hydrogen 2.801 N/A ALA 267.A N TRP 263.A O no hydrogen 3.127 N/A LEU 268.A N ARG 264.A O no hydrogen 2.880 N/A LEU 269.A N SER 265.A O no hydrogen 3.156 N/A HIS 270.A N TYR 266.A O no hydrogen 3.066 N/A HIS 270.A ND1 TYR 266.A O no hydrogen 3.139 N/A HIS 270.A NE2 ARG 102.A O no hydrogen 3.329 N/A ILE 271.A N ALA 267.A O no hydrogen 3.057 N/A TRP 272.A N LEU 268.A O no hydrogen 3.064 N/A TRP 272.A NE1 ASP 238.A OD2 no hydrogen 2.887 N/A TYR 273.A N LEU 269.A O no hydrogen 3.100 N/A THR 274.A N ILE 271.A O no hydrogen 3.104 N/A THR 274.A OG1 HIS 270.A O no hydrogen 2.569 N/A TRP 277.A N THR 274.A O no hydrogen 3.448 N/A GLN 278.A NE2 GLY 276.A O no hydrogen 3.551 N/A ASP 280.A N TYR 256.A OH no hydrogen 2.993 N/A