Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cwu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N ILE 61.A O no hydrogen 3.020 N/A TYR 2.A OH GLU 68.A OE2 no hydrogen 2.406 N/A LEU 4.A N LEU 59.A O no hydrogen 2.771 N/A ASN 5.A ND2 HIS 57.A O no hydrogen 3.603 N/A TRP 6.A N HIS 57.A O no hydrogen 3.314 N/A GLN 7.A NE2 ASN 87.A OD1 no hydrogen 2.821 N/A TYR 10.A OH PHE 82.A O no hydrogen 2.672 N/A ASP 11.A N GLY 104.A O no hydrogen 2.912 N/A TRP 14.A N ASP 11.A OD1 no hydrogen 2.752 N/A MET 15.A N ASP 11.A O no hydrogen 3.065 N/A LEU 16.A N TRP 12.A O no hydrogen 2.672 N/A GLY 17.A N SER 13.A O no hydrogen 2.741 N/A PHE 18.A N TRP 14.A O no hydrogen 2.816 N/A LEU 19.A N MET 15.A O no hydrogen 2.896 N/A ALA 20.A N LEU 16.A O no hydrogen 3.019 N/A ALA 21.A N GLY 17.A O no hydrogen 3.033 N/A ALA 21.A N PHE 18.A O no hydrogen 3.091 N/A ARG 22.A N LEU 19.A O no hydrogen 3.320 N/A ARG 22.A NH1 PHE 18.A O no hydrogen 2.621 N/A ALA 23.A N ALA 20.A O no hydrogen 3.408 N/A SER 26.A OG SER 25.A O no hydrogen 2.176 N/A VAL 27.A N VAL 24.A O no hydrogen 2.880 N/A GLU 28.A N VAL 24.A O no hydrogen 2.993 N/A THR 29.A N ALA 36.A O no hydrogen 2.606 N/A THR 29.A OG1 TYR 152.A OH no hydrogen 2.770 N/A ALA 31.A N TYR 34.A O no hydrogen 2.848 N/A SER 33.A OG ASP 32.A OD2 no hydrogen 3.333 N/A TYR 35.A N ALA 50.A O no hydrogen 3.144 N/A TYR 35.A OH GLU 28.A OE1 no hydrogen 2.581 N/A ALA 36.A N THR 29.A O no hydrogen 2.840 N/A ARG 37.A N VAL 48.A O no hydrogen 3.080 N/A ARG 37.A NE SER 38.A O no hydrogen 2.874 N/A ARG 37.A NH1 GLU 115.A OE2 no hydrogen 3.109 N/A ARG 37.A NH2 GLU 115.A OE1 no hydrogen 2.707 N/A ARG 37.A NH2 GLU 115.A OE2 no hydrogen 2.972 N/A SER 38.A N VAL 27.A O no hydrogen 3.065 N/A SER 38.A OG ILE 153.A O no hydrogen 2.907 N/A LEU 39.A N GLY 46.A O no hydrogen 3.243 N/A VAL 41.A N TYR 44.A O no hydrogen 3.028 N/A TYR 44.A N VAL 41.A O no hydrogen 3.394 N/A ARG 45.A NH1 GLU 144.A OE2 no hydrogen 2.514 N/A ARG 45.A NH2 GLU 144.A OE2 no hydrogen 2.992 N/A VAL 47.A N SER 64.A OG no hydrogen 3.057 N/A VAL 48.A N ARG 37.A O no hydrogen 2.991 N/A THR 49.A N ASN 62.A O no hydrogen 2.997 N/A ALA 50.A N TYR 35.A O no hydrogen 2.899 N/A ILE 51.A N HIS 60.A O no hydrogen 2.879 N/A ASP 53.A N THR 58.A O no hydrogen 2.626 N/A ARG 56.A N ASP 53.A OD2 no hydrogen 3.367 N/A HIS 57.A N ILE 54.A O no hydrogen 3.468 N/A HIS 57.A ND1 HIS 57.A O no hydrogen 3.062 N/A THR 58.A N ASP 53.A O no hydrogen 3.146 N/A THR 58.A OG1 ARG 56.A O no hydrogen 3.007 N/A LEU 59.A N LEU 4.A O no hydrogen 2.750 N/A HIS 60.A N ILE 51.A O no hydrogen 2.930 N/A ILE 61.A N TYR 2.A O no hydrogen 2.613 N/A ASN 62.A N THR 49.A O no hydrogen 2.822 N/A SER 64.A N VAL 47.A O no hydrogen 3.140 N/A LEU 67.A N SER 64.A O no hydrogen 2.879 N/A GLU 68.A N ALA 65.A O no hydrogen 3.194 N/A VAL 70.A N LEU 67.A O no hydrogen 2.834 N/A ALA 71.A N GLU 68.A O no hydrogen 2.829 N/A CYS 74.A N VAL 70.A O no hydrogen 3.152 N/A CYS 74.A SG VAL 70.A O no hydrogen 3.771 N/A LEU 75.A N ALA 71.A O no hydrogen 2.883 N/A ALA 76.A N ALA 72.A O no hydrogen 2.893 N/A LYS 77.A N GLU 73.A O no hydrogen 2.887 N/A MET 78.A N CYS 74.A O no hydrogen 3.039 N/A SER 79.A N LEU 75.A O no hydrogen 2.952 N/A SER 79.A OG ALA 76.A O no hydrogen 2.819 N/A ARG 80.A N ALA 76.A O no hydrogen 3.076 N/A LEU 81.A N LYS 77.A O no hydrogen 2.875 N/A PHE 82.A N MET 78.A O no hydrogen 2.856 N/A ASP 83.A N SER 79.A O no hydrogen 2.893 N/A LEU 84.A N SER 79.A O no hydrogen 3.366 N/A GLN 85.A NE2 ASP 83.A OD1 no hydrogen 2.867 N/A CYS 86.A N ASP 83.A O no hydrogen 2.894 N/A CYS 86.A SG TYR 266.A OH no hydrogen 3.804 N/A ILE 90.A N ASN 87.A O no hydrogen 2.978 N/A VAL 91.A N ASN 87.A O no hydrogen 3.446 N/A ASN 92.A N PRO 88.A O no hydrogen 2.952 N/A ASN 92.A ND2 PRO 103.A O no hydrogen 3.159 N/A ALA 94.A N VAL 91.A O no hydrogen 2.935 N/A LEU 95.A N ASN 92.A O no hydrogen 2.947 N/A ARG 102.A N GLY 99.A O no hydrogen 2.660 N/A LEU 105.A N ARG 102.A O no hydrogen 3.347 N/A ARG 106.A NH1 ASP 83.A O no hydrogen 3.225 N/A ARG 106.A NH2 PRO 9.A O no hydrogen 3.062 N/A LEU 107.A N ASP 83.A OD2 no hydrogen 3.240 N/A GLY 109.A N LEU 81.A O no hydrogen 2.783 N/A CYS 110.A SG ARG 226.A O no hydrogen 3.588 N/A CYS 110.A SG GLY 227.A O no hydrogen 3.826 N/A GLU 115.A N ASP 112.A OD2 no hydrogen 2.924 N/A GLN 116.A N ASP 112.A O no hydrogen 2.948 N/A GLY 117.A N ALA 113.A O no hydrogen 2.722 N/A VAL 118.A N PHE 114.A O no hydrogen 2.830 N/A ARG 119.A N GLU 115.A O no hydrogen 2.712 N/A ARG 119.A NE GLU 115.A OE2 no hydrogen 2.981 N/A ARG 119.A NH1 GLU 28.A OE2 no hydrogen 2.675 N/A ARG 119.A NH2 GLU 28.A OE2 no hydrogen 2.601 N/A ARG 119.A NH2 GLU 115.A OE2 no hydrogen 2.607 N/A ALA 120.A N GLN 116.A O no hydrogen 2.807 N/A ILE 121.A N GLY 117.A O no hydrogen 3.231 N/A ILE 121.A N VAL 118.A O no hydrogen 3.215 N/A LEU 122.A N VAL 118.A O no hydrogen 3.195 N/A GLN 124.A N ILE 121.A O no hydrogen 3.042 N/A VAL 126.A N GLN 124.A O no hydrogen 2.732 N/A MET 130.A N SER 127.A OG no hydrogen 3.039 N/A ALA 131.A N SER 127.A O no hydrogen 2.790 N/A ALA 132.A N VAL 128.A O no hydrogen 3.102 N/A LYS 133.A N ALA 129.A O no hydrogen 3.096 N/A LYS 133.A NZ SER 25.A OG no hydrogen 3.319 N/A LEU 134.A N MET 130.A O no hydrogen 2.724 N/A THR 135.A N ALA 131.A O no hydrogen 2.937 N/A THR 135.A OG1 ALA 131.A O no hydrogen 2.700 N/A ALA 136.A N ALA 132.A O no hydrogen 2.942 N/A ARG 137.A N LYS 133.A O no hydrogen 3.063 N/A ARG 137.A NE LEU 172.A O no hydrogen 2.940 N/A ARG 137.A NH2 LEU 172.A O no hydrogen 2.689 N/A VAL 138.A N LEU 134.A O no hydrogen 3.087 N/A ALA 139.A N THR 135.A O no hydrogen 2.822 N/A GLN 140.A N ALA 136.A O no hydrogen 2.570 N/A LEU 141.A N ARG 137.A O no hydrogen 3.126 N/A TYR 142.A N VAL 138.A O no hydrogen 3.037 N/A GLY 143.A N ALA 139.A O no hydrogen 2.575 N/A ARG 145.A NE PRO 150.A O no hydrogen 2.824 N/A LEU 146.A N TYR 152.A O no hydrogen 3.318 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.558 N/A TYR 152.A N PHE 149.A O no hydrogen 2.625 N/A TYR 152.A OH THR 29.A OG1 no hydrogen 2.770 N/A ILE 153.A N SER 26.A O no hydrogen 2.882 N/A CYS 154.A N GLU 144.A O no hydrogen 2.563 N/A ARG 160.A N THR 157.A O no hydrogen 3.174 N/A ARG 160.A N THR 157.A OG1 no hydrogen 3.272 N/A LEU 161.A N THR 157.A O no hydrogen 3.291 N/A LEU 161.A N PRO 158.A O no hydrogen 3.254 N/A ALA 162.A N PRO 158.A O no hydrogen 2.922 N/A ALA 164.A N LEU 161.A O no hydrogen 3.226 N/A GLN 167.A N ASP 165.A OD1 no hydrogen 2.933 N/A ALA 168.A N ASP 165.A OD2 no hydrogen 3.353 N/A LEU 169.A N ASP 165.A O no hydrogen 3.126 N/A LYS 170.A N PRO 166.A O no hydrogen 2.674 N/A ALA 171.A N GLN 167.A O no hydrogen 2.875 N/A LEU 172.A N ALA 168.A O no hydrogen 3.343 N/A LEU 172.A N LEU 169.A O no hydrogen 2.633 N/A GLY 173.A N LYS 170.A O no hydrogen 2.682 N/A MET 174.A N LYS 170.A O no hydrogen 3.022 N/A ALA 179.A N PRO 175.A O no hydrogen 3.282 N/A GLU 180.A N LEU 176.A O no hydrogen 3.098 N/A ALA 181.A N LYS 177.A O no hydrogen 2.810 N/A LEU 182.A N ARG 178.A O no hydrogen 3.086 N/A ILE 183.A N ALA 179.A O no hydrogen 2.943 N/A HIS 184.A N GLU 180.A O no hydrogen 2.809 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 3.181 N/A ASN 187.A N HIS 184.A O no hydrogen 2.738 N/A ALA 188.A N HIS 184.A O no hydrogen 3.072 N/A ALA 189.A N LEU 185.A O no hydrogen 3.072 N/A ALA 189.A N ALA 186.A O no hydrogen 3.208 N/A LEU 190.A N ALA 186.A O no hydrogen 3.057 N/A GLU 191.A N ASN 187.A O no hydrogen 2.838 N/A GLY 192.A N ALA 189.A O no hydrogen 2.936 N/A THR 193.A N ALA 188.A O no hydrogen 2.480 N/A LEU 194.A N ALA 188.A O no hydrogen 3.227 N/A GLN 204.A N ASP 201.A OD1 no hydrogen 2.856 N/A ALA 205.A N ASP 201.A O no hydrogen 2.954 N/A MET 206.A N VAL 202.A O no hydrogen 2.730 N/A LYS 207.A N GLU 203.A O no hydrogen 2.761 N/A THR 208.A N GLN 204.A O no hydrogen 3.031 N/A THR 208.A OG1 GLN 204.A O no hydrogen 3.234 N/A LEU 209.A N ALA 205.A O no hydrogen 3.277 N/A GLN 210.A N MET 206.A O no hydrogen 3.046 N/A THR 211.A N THR 208.A O no hydrogen 3.299 N/A THR 211.A OG1 THR 208.A O no hydrogen 2.446 N/A PHE 212.A N LEU 209.A O no hydrogen 2.864 N/A ILE 215.A N PHE 212.A O no hydrogen 3.320 N/A THR 219.A OG1 GLN 124.A OE1 no hydrogen 2.835 N/A ALA 220.A N GLY 216.A O no hydrogen 3.048 N/A ASN 221.A N ARG 217.A O no hydrogen 2.940 N/A TYR 222.A N TRP 218.A O no hydrogen 2.877 N/A PHE 223.A N THR 219.A O no hydrogen 2.992 N/A ALA 224.A N ALA 220.A O no hydrogen 2.908 N/A LEU 225.A N ASN 221.A O no hydrogen 3.003 N/A ARG 226.A N TYR 222.A O no hydrogen 2.824 N/A ARG 226.A NE TYR 222.A OH no hydrogen 3.065 N/A ARG 226.A NH1 PRO 108.A O no hydrogen 3.139 N/A GLY 227.A N PHE 223.A O no hydrogen 2.616 N/A TRP 228.A N PHE 223.A O no hydrogen 3.314 N/A TRP 228.A N ALA 224.A O no hydrogen 3.114 N/A TRP 228.A NE1 PRO 195.A O no hydrogen 2.833 N/A ALA 230.A N ALA 224.A O no hydrogen 3.040 N/A LYS 231.A NZ GLN 229.A O no hydrogen 3.020 N/A VAL 233.A N SER 265.A OG no hydrogen 2.983 N/A ASP 238.A N LEU 235.A O no hydrogen 3.292 N/A ILE 241.A N ASP 238.A OD2 no hydrogen 2.910 N/A LYS 242.A N ASP 238.A O no hydrogen 3.051 N/A LYS 242.A N TYR 239.A O no hydrogen 2.945 N/A GLN 243.A N TYR 239.A O no hydrogen 3.160 N/A ARG 244.A N ILE 241.A O no hydrogen 3.200 N/A ARG 244.A NE ILE 271.A O no hydrogen 2.793 N/A ARG 244.A NH2 TRP 272.A O no hydrogen 3.288 N/A PHE 245.A N ILE 241.A O no hydrogen 3.024 N/A PHE 245.A N LYS 242.A O no hydrogen 3.134 N/A MET 248.A N PHE 245.A O no hydrogen 3.151 N/A THR 249.A N GLN 252.A OE1 no hydrogen 3.469 N/A THR 249.A OG1 GLN 252.A OE1 no hydrogen 3.088 N/A GLN 252.A N THR 249.A O no hydrogen 2.599 N/A ILE 253.A N THR 249.A O no hydrogen 3.317 N/A ARG 254.A N PRO 250.A O no hydrogen 3.091 N/A ARG 255.A N ALA 251.A O no hydrogen 3.143 N/A TYR 256.A N GLN 252.A O no hydrogen 2.541 N/A ALA 257.A N ILE 253.A O no hydrogen 2.722 N/A ARG 259.A N TYR 256.A O no hydrogen 3.210 N/A ARG 259.A NE TYR 256.A O no hydrogen 3.397 N/A TRP 260.A N ALA 257.A O no hydrogen 3.281 N/A TRP 263.A N TRP 260.A O no hydrogen 2.728 N/A ARG 264.A N ASP 232.A OD1 no hydrogen 3.483 N/A ARG 264.A NE ASP 232.A OD1 no hydrogen 2.789 N/A ARG 264.A NH2 ASP 232.A OD1 no hydrogen 3.143 N/A ARG 264.A NH2 ASP 232.A OD2 no hydrogen 2.986 N/A SER 265.A N LYS 231.A O no hydrogen 2.676 N/A SER 265.A OG ALA 230.A O no hydrogen 2.481 N/A SER 265.A OG VAL 233.A O no hydrogen 3.383 N/A TYR 266.A N TRP 263.A O no hydrogen 2.944 N/A TYR 266.A OH ASP 83.A OD2 no hydrogen 2.907 N/A ALA 267.A N TRP 263.A O no hydrogen 3.119 N/A LEU 268.A N ARG 264.A O no hydrogen 2.747 N/A LEU 269.A N SER 265.A O no hydrogen 3.442 N/A HIS 270.A N TYR 266.A O no hydrogen 3.027 N/A ILE 271.A N ALA 267.A O no hydrogen 3.081 N/A TRP 272.A N LEU 268.A O no hydrogen 2.928 N/A TRP 272.A NE1 ASP 238.A OD2 no hydrogen 2.673 N/A TYR 273.A N LEU 269.A O no hydrogen 3.059 N/A THR 274.A OG1 HIS 270.A O no hydrogen 2.734 N/A