Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cws_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ILE 61.A O no hydrogen 3.105 N/A TYR 2.A N ILE 61.A O no hydrogen 2.977 N/A TYR 2.A OH GLU 68.A OE2 no hydrogen 2.410 N/A LEU 4.A N LEU 59.A O no hydrogen 3.025 N/A ASN 5.A ND2 HIS 57.A O no hydrogen 3.624 N/A TRP 6.A N HIS 57.A O no hydrogen 3.178 N/A TYR 10.A OH PHE 82.A O no hydrogen 2.790 N/A ASP 11.A N GLY 104.A O no hydrogen 2.803 N/A TRP 12.A N TYR 10.A O no hydrogen 3.099 N/A TRP 14.A N ASP 11.A OD1 no hydrogen 2.869 N/A MET 15.A N ASP 11.A O no hydrogen 3.109 N/A LEU 16.A N TRP 12.A O no hydrogen 2.863 N/A GLY 17.A N SER 13.A O no hydrogen 3.031 N/A PHE 18.A N TRP 14.A O no hydrogen 2.873 N/A LEU 19.A N MET 15.A O no hydrogen 2.951 N/A ALA 20.A N LEU 16.A O no hydrogen 2.928 N/A ALA 21.A N GLY 17.A O no hydrogen 3.085 N/A ARG 22.A N LEU 19.A O no hydrogen 3.221 N/A ARG 22.A NH1 PHE 18.A O no hydrogen 2.872 N/A ALA 23.A N ALA 20.A O no hydrogen 3.165 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 3.056 N/A GLU 28.A N VAL 24.A O no hydrogen 2.849 N/A THR 29.A N ALA 36.A O no hydrogen 2.782 N/A THR 29.A OG1 TYR 152.A OH no hydrogen 3.054 N/A ALA 31.A N TYR 34.A O no hydrogen 2.991 N/A TYR 35.A N ALA 50.A O no hydrogen 2.901 N/A TYR 35.A OH GLU 28.A OE1 no hydrogen 2.568 N/A ALA 36.A N THR 29.A O no hydrogen 2.907 N/A ARG 37.A N VAL 48.A O no hydrogen 2.991 N/A ARG 37.A NE SER 38.A O no hydrogen 2.867 N/A ARG 37.A NH1 GLU 115.A OE2 no hydrogen 2.816 N/A ARG 37.A NH2 GLU 115.A OE1 no hydrogen 2.569 N/A ARG 37.A NH2 GLU 115.A OE2 no hydrogen 3.428 N/A SER 38.A N VAL 27.A O no hydrogen 3.062 N/A SER 38.A OG ILE 153.A O no hydrogen 2.784 N/A LEU 39.A N GLY 46.A O no hydrogen 3.032 N/A VAL 41.A N TYR 44.A O no hydrogen 2.988 N/A TYR 44.A N VAL 41.A O no hydrogen 3.070 N/A ARG 45.A NH2 GLU 43.A OE1 no hydrogen 3.559 N/A GLY 46.A N LEU 39.A O no hydrogen 3.211 N/A VAL 47.A N SER 64.A OG no hydrogen 2.910 N/A VAL 48.A N ARG 37.A O no hydrogen 2.913 N/A THR 49.A N ASN 62.A O no hydrogen 3.029 N/A ALA 50.A N TYR 35.A O no hydrogen 2.592 N/A ILE 51.A N HIS 60.A O no hydrogen 2.776 N/A ASP 53.A N THR 58.A O no hydrogen 2.734 N/A ARG 56.A N ASP 53.A O no hydrogen 3.079 N/A HIS 57.A N ILE 54.A O no hydrogen 3.320 N/A THR 58.A N ASP 53.A O no hydrogen 3.260 N/A THR 58.A OG1 ARG 56.A O no hydrogen 3.201 N/A LEU 59.A N LEU 4.A O no hydrogen 2.835 N/A HIS 60.A N ILE 51.A O no hydrogen 2.832 N/A ILE 61.A N TYR 2.A O no hydrogen 2.743 N/A ASN 62.A N THR 49.A O no hydrogen 2.932 N/A SER 64.A N VAL 47.A O no hydrogen 3.160 N/A LEU 67.A N SER 64.A O no hydrogen 3.009 N/A GLU 68.A N ALA 65.A O no hydrogen 3.339 N/A VAL 70.A N LEU 67.A O no hydrogen 2.805 N/A ALA 71.A N GLU 68.A O no hydrogen 3.150 N/A GLU 73.A N VAL 70.A O no hydrogen 3.198 N/A CYS 74.A N VAL 70.A O no hydrogen 3.189 N/A CYS 74.A SG VAL 70.A O no hydrogen 3.340 N/A LEU 75.A N ALA 71.A O no hydrogen 2.979 N/A ALA 76.A N ALA 72.A O no hydrogen 3.146 N/A LYS 77.A N GLU 73.A O no hydrogen 2.969 N/A LYS 77.A NZ VAL 111.A O no hydrogen 3.303 N/A MET 78.A N CYS 74.A O no hydrogen 3.026 N/A SER 79.A N LEU 75.A O no hydrogen 2.848 N/A SER 79.A OG ALA 76.A O no hydrogen 2.864 N/A ARG 80.A N ALA 76.A O no hydrogen 3.064 N/A ARG 80.A N LYS 77.A O no hydrogen 3.250 N/A LEU 81.A N LYS 77.A O no hydrogen 2.981 N/A PHE 82.A N MET 78.A O no hydrogen 3.037 N/A LEU 84.A N SER 79.A O no hydrogen 3.250 N/A GLN 85.A NE2 ASP 83.A OD1 no hydrogen 2.599 N/A CYS 86.A N ASP 83.A O no hydrogen 3.127 N/A CYS 86.A SG TYR 266.A OH no hydrogen 3.690 N/A ILE 90.A N ASN 87.A O no hydrogen 3.165 N/A ILE 90.A N ASN 87.A OD1 no hydrogen 3.333 N/A VAL 91.A N ASN 87.A O no hydrogen 3.402 N/A ASN 92.A N PRO 88.A O no hydrogen 2.753 N/A ASN 92.A ND2 PRO 103.A O no hydrogen 2.892 N/A GLY 93.A N GLN 89.A O no hydrogen 2.975 N/A ALA 94.A N VAL 91.A O no hydrogen 2.931 N/A LEU 95.A N VAL 91.A O no hydrogen 2.902 N/A LEU 98.A N LEU 95.A O no hydrogen 3.151 N/A GLY 99.A N GLY 96.A O no hydrogen 3.302 N/A ALA 100.A N ARG 97.A O no hydrogen 3.263 N/A ARG 102.A N GLY 99.A O no hydrogen 3.087 N/A ARG 102.A NH1 TYR 273.A O no hydrogen 2.879 N/A LEU 105.A N ARG 102.A O no hydrogen 3.182 N/A ARG 106.A NH1 ASP 83.A O no hydrogen 3.138 N/A ARG 106.A NH2 GLN 7.A O no hydrogen 2.473 N/A ARG 106.A NH2 PRO 9.A O no hydrogen 2.929 N/A LEU 107.A N ASP 83.A OD2 no hydrogen 2.980 N/A GLY 109.A N LEU 81.A O no hydrogen 2.971 N/A CYS 110.A SG ARG 226.A O no hydrogen 3.576 N/A CYS 110.A SG GLY 227.A O no hydrogen 3.615 N/A GLU 115.A N ASP 112.A OD2 no hydrogen 3.039 N/A GLN 116.A N ASP 112.A O no hydrogen 3.007 N/A GLY 117.A N ALA 113.A O no hydrogen 2.740 N/A VAL 118.A N PHE 114.A O no hydrogen 2.965 N/A ARG 119.A N GLU 115.A O no hydrogen 2.836 N/A ARG 119.A NE GLU 115.A OE2 no hydrogen 3.144 N/A ARG 119.A NH1 GLU 28.A OE2 no hydrogen 3.108 N/A ARG 119.A NH2 GLU 28.A OE2 no hydrogen 2.663 N/A ARG 119.A NH2 GLU 115.A OE2 no hydrogen 2.880 N/A ALA 120.A N GLN 116.A O no hydrogen 2.826 N/A ILE 121.A N GLY 117.A O no hydrogen 3.166 N/A LEU 122.A N VAL 118.A O no hydrogen 3.123 N/A GLY 123.A N ALA 120.A O no hydrogen 2.888 N/A GLN 124.A N ILE 121.A O no hydrogen 3.147 N/A VAL 126.A N GLN 124.A O no hydrogen 2.826 N/A MET 130.A N SER 127.A OG no hydrogen 2.803 N/A ALA 131.A N SER 127.A O no hydrogen 3.002 N/A ALA 132.A N VAL 128.A O no hydrogen 3.069 N/A LYS 133.A N ALA 129.A O no hydrogen 3.141 N/A LEU 134.A N MET 130.A O no hydrogen 2.823 N/A THR 135.A N ALA 131.A O no hydrogen 2.751 N/A THR 135.A OG1 ALA 131.A O no hydrogen 3.126 N/A ALA 136.A N ALA 132.A O no hydrogen 3.108 N/A ARG 137.A N LYS 133.A O no hydrogen 3.231 N/A ARG 137.A N LEU 134.A O no hydrogen 2.937 N/A ARG 137.A NE LEU 172.A O no hydrogen 3.278 N/A ARG 137.A NH2 LEU 172.A O no hydrogen 2.936 N/A VAL 138.A N LEU 134.A O no hydrogen 3.170 N/A ALA 139.A N THR 135.A O no hydrogen 2.911 N/A GLN 140.A N ALA 136.A O no hydrogen 2.968 N/A LEU 141.A N ARG 137.A O no hydrogen 3.136 N/A TYR 142.A N VAL 138.A O no hydrogen 3.000 N/A GLY 143.A N ALA 139.A O no hydrogen 2.621 N/A ARG 145.A NE PRO 150.A O no hydrogen 2.792 N/A LEU 146.A N TYR 152.A O no hydrogen 3.459 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.550 N/A TYR 152.A N PHE 149.A O no hydrogen 2.793 N/A TYR 152.A OH THR 29.A OG1 no hydrogen 3.054 N/A ILE 153.A N SER 26.A O no hydrogen 2.687 N/A CYS 154.A N GLU 144.A O no hydrogen 2.576 N/A ARG 160.A N THR 157.A OG1 no hydrogen 3.277 N/A LEU 161.A N THR 157.A O no hydrogen 3.193 N/A ALA 162.A N PRO 158.A O no hydrogen 2.925 N/A ALA 163.A N GLN 159.A O no hydrogen 3.355 N/A ALA 164.A N LEU 161.A O no hydrogen 3.217 N/A GLN 167.A N ASP 165.A OD1 no hydrogen 3.199 N/A ALA 168.A N ASP 165.A O no hydrogen 2.755 N/A ALA 168.A N ASP 165.A OD2 no hydrogen 3.151 N/A LEU 169.A N ASP 165.A O no hydrogen 3.240 N/A LYS 170.A N PRO 166.A O no hydrogen 2.961 N/A ALA 171.A N GLN 167.A O no hydrogen 3.096 N/A LEU 172.A N LEU 169.A O no hydrogen 2.979 N/A GLY 173.A N LYS 170.A O no hydrogen 2.876 N/A MET 174.A N LYS 170.A O no hydrogen 3.303 N/A ALA 179.A N PRO 175.A O no hydrogen 3.208 N/A GLU 180.A N LEU 176.A O no hydrogen 2.923 N/A ALA 181.A N LYS 177.A O no hydrogen 2.899 N/A LEU 182.A N ARG 178.A O no hydrogen 3.007 N/A ILE 183.A N ALA 179.A O no hydrogen 3.115 N/A HIS 184.A N GLU 180.A O no hydrogen 2.879 N/A LEU 185.A N ALA 181.A O no hydrogen 3.120 N/A ALA 186.A N LEU 182.A O no hydrogen 3.044 N/A ASN 187.A N ILE 183.A O no hydrogen 3.134 N/A ALA 188.A N HIS 184.A O no hydrogen 3.004 N/A ALA 189.A N LEU 185.A O no hydrogen 2.880 N/A LEU 190.A N ALA 186.A O no hydrogen 2.918 N/A GLU 191.A N ASN 187.A O no hydrogen 2.980 N/A GLY 192.A N ALA 189.A O no hydrogen 3.262 N/A THR 193.A N ALA 188.A O no hydrogen 2.631 N/A GLN 204.A N ASP 201.A OD1 no hydrogen 2.809 N/A GLN 204.A NE2 THR 208.A OG1 no hydrogen 3.205 N/A ALA 205.A N ASP 201.A O no hydrogen 3.036 N/A MET 206.A N VAL 202.A O no hydrogen 2.927 N/A LYS 207.A N GLU 203.A O no hydrogen 3.362 N/A LYS 207.A N GLN 204.A O no hydrogen 2.923 N/A THR 208.A N GLN 204.A O no hydrogen 3.217 N/A THR 208.A OG1 GLN 204.A O no hydrogen 3.253 N/A LEU 209.A N ALA 205.A O no hydrogen 2.983 N/A GLN 210.A N MET 206.A O no hydrogen 3.040 N/A GLN 210.A NE2 MET 206.A O no hydrogen 3.589 N/A THR 211.A N THR 208.A O no hydrogen 3.107 N/A THR 211.A OG1 THR 208.A O no hydrogen 2.416 N/A PHE 212.A N LEU 209.A O no hydrogen 2.921 N/A ILE 215.A N PHE 212.A O no hydrogen 3.361 N/A THR 219.A OG1 GLN 124.A OE1 no hydrogen 2.887 N/A ALA 220.A N GLY 216.A O no hydrogen 3.125 N/A ASN 221.A N ARG 217.A O no hydrogen 2.863 N/A TYR 222.A N TRP 218.A O no hydrogen 2.827 N/A PHE 223.A N THR 219.A O no hydrogen 2.813 N/A ALA 224.A N ALA 220.A O no hydrogen 2.915 N/A LEU 225.A N ASN 221.A O no hydrogen 2.953 N/A ARG 226.A N TYR 222.A O no hydrogen 2.937 N/A ARG 226.A NE TYR 222.A OH no hydrogen 3.155 N/A ARG 226.A NH1 PRO 108.A O no hydrogen 3.181 N/A GLY 227.A N PHE 223.A O no hydrogen 2.535 N/A TRP 228.A N ALA 224.A O no hydrogen 3.105 N/A TRP 228.A NE1 PRO 195.A O no hydrogen 2.883 N/A GLN 229.A NE2 ARG 226.A O no hydrogen 2.903 N/A GLN 229.A NE2 GLY 227.A O no hydrogen 3.161 N/A ALA 230.A N ALA 224.A O no hydrogen 3.156 N/A LYS 231.A NZ GLN 229.A O no hydrogen 2.692 N/A VAL 233.A N SER 265.A OG no hydrogen 2.956 N/A ASP 238.A N LEU 235.A O no hydrogen 3.092 N/A ILE 241.A N ASP 238.A OD2 no hydrogen 2.839 N/A LYS 242.A N ASP 238.A O no hydrogen 2.982 N/A LYS 242.A NZ PRO 236.A O no hydrogen 3.131 N/A GLN 243.A N TYR 239.A O no hydrogen 3.474 N/A ARG 244.A N LEU 240.A O no hydrogen 3.066 N/A ARG 244.A NE ILE 271.A O no hydrogen 2.972 N/A ARG 244.A NH2 TRP 272.A O no hydrogen 3.461 N/A PHE 245.A N ILE 241.A O no hydrogen 3.152 N/A PHE 245.A N LYS 242.A O no hydrogen 3.308 N/A THR 249.A N GLN 252.A OE1 no hydrogen 2.805 N/A THR 249.A OG1 GLN 252.A OE1 no hydrogen 2.905 N/A GLN 252.A N THR 249.A O no hydrogen 2.655 N/A ILE 253.A N THR 249.A O no hydrogen 3.083 N/A ARG 255.A N ALA 251.A O no hydrogen 3.278 N/A TYR 256.A N GLN 252.A O no hydrogen 2.999 N/A ALA 257.A N ILE 253.A O no hydrogen 2.891 N/A GLU 258.A N ARG 254.A O no hydrogen 2.614 N/A ARG 259.A N TYR 256.A O no hydrogen 3.172 N/A ARG 259.A NE TYR 256.A O no hydrogen 3.133 N/A TRP 260.A N ALA 257.A O no hydrogen 2.992 N/A LYS 261.A N GLU 258.A O no hydrogen 3.483 N/A TRP 263.A N TRP 260.A O no hydrogen 2.851 N/A ARG 264.A N ASP 232.A OD1 no hydrogen 3.268 N/A ARG 264.A NE ASP 232.A OD1 no hydrogen 2.641 N/A ARG 264.A NH2 ASP 232.A OD1 no hydrogen 3.461 N/A ARG 264.A NH2 ASP 232.A OD2 no hydrogen 2.854 N/A SER 265.A N LYS 231.A O no hydrogen 2.947 N/A SER 265.A OG ALA 230.A O no hydrogen 2.605 N/A SER 265.A OG VAL 233.A O no hydrogen 3.285 N/A TYR 266.A OH ASP 83.A OD2 no hydrogen 2.765 N/A ALA 267.A N TRP 263.A O no hydrogen 3.120 N/A LEU 268.A N ARG 264.A O no hydrogen 2.908 N/A LEU 269.A N SER 265.A O no hydrogen 3.139 N/A HIS 270.A N TYR 266.A O no hydrogen 2.955 N/A HIS 270.A NE2 ARG 102.A O no hydrogen 3.270 N/A ILE 271.A N ALA 267.A O no hydrogen 2.908 N/A TRP 272.A N LEU 268.A O no hydrogen 2.936 N/A TRP 272.A NE1 ASP 238.A OD2 no hydrogen 2.968 N/A TYR 273.A N LEU 269.A O no hydrogen 3.185 N/A THR 274.A N ILE 271.A O no hydrogen 3.140 N/A THR 274.A OG1 HIS 270.A O no hydrogen 2.646 N/A TRP 277.A N THR 274.A O no hydrogen 2.968 N/A ASP 280.A N TYR 256.A OH no hydrogen 3.156 N/A