Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x63_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 7.A SG MET 8.A O no hydrogen 3.812 N/A CYS 7.A SG GLU 51.A OE2 no hydrogen 3.567 N/A MET 8.A N GLU 51.A OE2 no hydrogen 3.144 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.659 N/A GLN 11.A N SER 28.A O no hydrogen 3.162 N/A GLU 13.A N GLY 26.A O no hydrogen 2.847 N/A ALA 14.A N GLY 26.A O no hydrogen 3.181 N/A ALA 15.A N ASP 283.A OD2 no hydrogen 2.793 N/A ARG 16.A N LEU 24.A O no hydrogen 3.143 N/A ARG 16.A NE ASP 283.A OD2 no hydrogen 3.041 N/A TYR 17.A N THR 285.A OG1 no hydrogen 2.689 N/A TYR 17.A OH THR 295.A OG1 no hydrogen 2.742 N/A ARG 18.A N ALA 22.A O no hydrogen 2.964 N/A ARG 18.A NE ASP 20.A OD1 no hydrogen 2.806 N/A ARG 18.A NH1 GLU 72.A O no hydrogen 3.183 N/A ARG 18.A NH1 GLU 93.A OE1 no hydrogen 3.464 N/A ARG 18.A NH1 GLU 93.A OE2 no hydrogen 3.066 N/A ARG 18.A NH2 ASP 20.A OD1 no hydrogen 3.368 N/A ARG 18.A NH2 GLU 93.A OE1 no hydrogen 3.445 N/A SER 19.A OG GLU 72.A OE1 no hydrogen 3.088 N/A SER 19.A OG GLU 72.A OE2 no hydrogen 2.669 N/A GLY 21.A N ARG 18.A O no hydrogen 3.056 N/A ALA 22.A N ASP 20.A OD1 no hydrogen 3.212 N/A LEU 23.A N PHE 42.A O no hydrogen 2.888 N/A LEU 24.A N ARG 16.A O no hydrogen 2.896 N/A LEU 25.A N TRP 40.A O no hydrogen 2.969 N/A GLY 26.A N ALA 14.A O no hydrogen 3.277 N/A ALA 27.A N SER 38.A O no hydrogen 3.099 N/A SER 28.A N GLN 11.A O no hydrogen 2.794 N/A SER 28.A OG VAL 64.A O no hydrogen 2.659 N/A SER 29.A N ALA 36.A O no hydrogen 2.604 N/A SER 29.A OG SER 31.A O no hydrogen 3.145 N/A SER 29.A OG CYS 34.A O no hydrogen 3.229 N/A LEU 30.A N GLN 11.A OE1 no hydrogen 2.723 N/A SER 38.A N ALA 27.A O no hydrogen 2.786 N/A SER 38.A OG GLU 9.A OE1 no hydrogen 2.662 N/A LEU 39.A N VAL 58.A O no hydrogen 2.986 N/A TRP 40.A N LEU 25.A O no hydrogen 2.815 N/A TRP 40.A NE1 SER 38.A OG no hydrogen 2.718 N/A LEU 41.A N ALA 56.A O no hydrogen 3.119 N/A PHE 42.A N LEU 23.A O no hydrogen 2.874 N/A LYS 43.A N SER 55.A OG no hydrogen 3.285 N/A LYS 43.A NZ GLU 93.A OE1 no hydrogen 3.108 N/A CYS 46.A N ASP 44.A OD1 no hydrogen 3.330 N/A ALA 47.A N ASP 44.A O no hydrogen 3.038 N/A ASN 50.A N ALA 47.A O no hydrogen 3.026 N/A GLU 51.A N GLU 51.A OE1 no hydrogen 2.734 N/A GLY 52.A N ASN 50.A OD1 no hydrogen 2.871 N/A PHE 53.A N ASN 50.A O no hydrogen 3.253 N/A CYS 54.A SG GLU 51.A O no hydrogen 3.689 N/A CYS 54.A SG ALA 56.A O no hydrogen 3.455 N/A SER 55.A N LEU 41.A O no hydrogen 2.759 N/A ALA 56.A N LEU 41.A O no hydrogen 3.319 N/A VAL 58.A N LEU 39.A O no hydrogen 3.090 N/A GLN 59.A NE2 GLU 9.A OE2 no hydrogen 3.248 N/A THR 60.A N GLY 37.A O no hydrogen 2.700 N/A THR 60.A OG1 ALA 62.A O no hydrogen 2.703 N/A VAL 64.A N SER 28.A OG no hydrogen 2.761 N/A ALA 65.A N ALA 78.A O no hydrogen 3.070 N/A THR 68.A N LEU 76.A O no hydrogen 2.858 N/A THR 68.A OG1 TRP 69.A O no hydrogen 3.415 N/A VAL 70.A N GLY 74.A O no hydrogen 2.792 N/A ARG 73.A NE ASP 90.A O no hydrogen 3.230 N/A ARG 73.A NH2 GLU 91.A O no hydrogen 3.398 N/A GLY 74.A N VAL 70.A O no hydrogen 3.053 N/A ILE 75.A N TRP 87.A O no hydrogen 2.756 N/A LEU 76.A N THR 68.A O no hydrogen 2.944 N/A VAL 77.A N GLU 85.A O no hydrogen 2.797 N/A ALA 78.A N ASP 66.A O no hydrogen 2.763 N/A SER 79.A N ALA 83.A O no hydrogen 2.893 N/A SER 79.A OG SER 81.A OG no hydrogen 3.241 N/A ASP 80.A N GLY 63.A O no hydrogen 3.431 N/A SER 81.A OG GLU 61.A OE1 no hydrogen 2.989 N/A SER 81.A OG SER 79.A OG no hydrogen 3.241 N/A GLY 82.A N SER 79.A O no hydrogen 3.192 N/A VAL 84.A N LYS 102.A O no hydrogen 3.214 N/A GLU 85.A N VAL 77.A O no hydrogen 2.981 N/A LEU 86.A N PHE 100.A O no hydrogen 3.117 N/A TRP 87.A N ILE 75.A O no hydrogen 2.567 N/A GLU 88.A N VAL 97.A O no hydrogen 2.607 N/A THR 94.A OG1 ASP 90.A OD2 no hydrogen 3.520 N/A VAL 97.A N GLU 88.A O no hydrogen 2.850 N/A LYS 99.A N LEU 86.A O no hydrogen 2.758 N/A LYS 99.A NZ GLU 88.A OE1 no hydrogen 3.526 N/A PHE 100.A N LEU 86.A O no hydrogen 3.378 N/A CYS 101.A SG TYR 103.A OH no hydrogen 3.873 N/A LYS 102.A N VAL 84.A O no hydrogen 3.117 N/A TYR 103.A OH GLU 61.A OE1 no hydrogen 2.826 N/A TYR 103.A OH GLU 61.A OE2 no hydrogen 2.938 N/A HIS 105.A N GLY 82.A O no hydrogen 3.182 N/A HIS 105.A ND1 ASP 127.A OD2 no hydrogen 3.068 N/A HIS 105.A NE2 SER 123.A OG no hydrogen 3.079 N/A VAL 109.A N SER 79.A O no hydrogen 3.387 N/A SER 110.A N GLY 124.A O no hydrogen 3.111 N/A SER 110.A OG GLY 124.A O no hydrogen 3.412 N/A SER 110.A OG VAL 151.A O no hydrogen 3.065 N/A THR 111.A N GLY 124.A O no hydrogen 2.975 N/A VAL 112.A N ASP 66.A OD2 no hydrogen 3.149 N/A SER 113.A N VAL 122.A O no hydrogen 3.007 N/A LEU 115.A N GLN 120.A O no hydrogen 2.925 N/A SER 116.A OG HIS 159.A O no hydrogen 2.718 N/A SER 116.A OG ASP 161.A OD1 no hydrogen 3.285 N/A SER 117.A N ASP 161.A OD1 no hydrogen 2.679 N/A SER 117.A OG THR 119.A OG1 no hydrogen 2.957 N/A SER 117.A OG ASP 161.A OD1 no hydrogen 3.050 N/A SER 117.A OG ASP 161.A OD2 no hydrogen 3.123 N/A THR 119.A N SER 117.A OG no hydrogen 3.233 N/A THR 119.A OG1 SER 117.A OG no hydrogen 2.957 N/A ALA 121.A N TRP 133.A O no hydrogen 3.188 N/A VAL 122.A N SER 113.A O no hydrogen 2.860 N/A SER 123.A N LYS 131.A O no hydrogen 2.987 N/A SER 123.A OG HIS 105.A NE2 no hydrogen 3.079 N/A GLY 124.A N THR 111.A O no hydrogen 2.780 N/A SER 125.A OG ASP 107.A O no hydrogen 3.398 N/A SER 125.A OG ILE 108.A O no hydrogen 2.729 N/A SER 125.A OG ASP 127.A OD1 no hydrogen 2.742 N/A LYS 126.A N ILE 108.A O no hydrogen 3.030 N/A ASP 127.A N SER 125.A OG no hydrogen 3.223 N/A ILE 128.A N SER 125.A O no hydrogen 3.294 N/A CYS 129.A N ASP 127.A OD1 no hydrogen 3.288 N/A CYS 129.A SG ASP 127.A O no hydrogen 3.969 N/A ILE 130.A N TYR 144.A O no hydrogen 2.812 N/A LYS 131.A N SER 123.A O no hydrogen 3.026 N/A LYS 131.A NZ GLU 104.A O no hydrogen 3.515 N/A LYS 131.A NZ SER 143.A OG no hydrogen 3.271 N/A VAL 132.A N SER 142.A O no hydrogen 2.873 N/A TRP 133.A N ALA 121.A O no hydrogen 2.692 N/A TRP 133.A NE1 SER 123.A OG no hydrogen 2.753 N/A ASP 134.A N VAL 139.A O no hydrogen 2.831 N/A LEU 135.A N THR 119.A O no hydrogen 2.854 N/A GLN 137.A N ASP 134.A OD1 no hydrogen 2.919 N/A VAL 139.A N ASP 134.A O no hydrogen 3.340 N/A LEU 141.A N VAL 132.A O no hydrogen 2.869 N/A TYR 144.A N ILE 130.A O no hydrogen 2.698 N/A HIS 147.A ND1 ASP 170.A OD1 no hydrogen 3.101 N/A HIS 147.A ND1 ASP 170.A OD2 no hydrogen 3.272 N/A HIS 147.A NE2 SER 166.A OG no hydrogen 3.026 N/A ALA 148.A N ASP 170.A OD2 no hydrogen 2.935 N/A VAL 151.A N SER 125.A O no hydrogen 2.995 N/A THR 152.A N CYS 167.A O no hydrogen 2.948 N/A CYS 153.A N CYS 167.A O no hydrogen 3.404 N/A VAL 154.A N THR 111.A OG1 no hydrogen 3.063 N/A ALA 155.A N LEU 165.A O no hydrogen 3.082 N/A ALA 156.A N SER 113.A OG no hydrogen 3.112 N/A SER 157.A N VAL 163.A O no hydrogen 2.899 N/A SER 157.A OG VAL 163.A O no hydrogen 2.865 N/A VAL 163.A N LYS 160.A O no hydrogen 3.432 N/A LEU 165.A N ALA 155.A O no hydrogen 2.865 N/A SER 166.A N LEU 174.A O no hydrogen 2.982 N/A SER 166.A OG HIS 147.A NE2 no hydrogen 3.026 N/A CYS 167.A N CYS 153.A O no hydrogen 3.051 N/A SER 168.A N ARG 172.A O no hydrogen 3.223 N/A SER 168.A OG ALA 149.A O no hydrogen 2.924 N/A SER 168.A OG GLN 150.A O no hydrogen 2.591 N/A GLU 169.A N GLN 150.A O no hydrogen 3.281 N/A ASN 171.A N SER 168.A O no hydrogen 3.161 N/A ARG 172.A N ASP 170.A OD1 no hydrogen 3.140 N/A ARG 172.A NE GLN 186.A OE1 no hydrogen 3.018 N/A ARG 172.A NH1 ASP 170.A OD2 no hydrogen 2.953 N/A LEU 174.A N SER 166.A O no hydrogen 2.737 N/A LEU 175.A N SER 185.A O no hydrogen 2.874 N/A TRP 176.A N PHE 164.A O no hydrogen 2.814 N/A TRP 176.A NE1 SER 166.A OG no hydrogen 3.009 N/A ASP 177.A N PRO 183.A O no hydrogen 3.020 N/A THR 178.A N SER 162.A O no hydrogen 3.019 N/A THR 178.A OG1 SER 162.A O no hydrogen 3.446 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 3.408 N/A ARG 179.A NE ASP 177.A OD1 no hydrogen 2.763 N/A ARG 179.A NH2 ASP 177.A OD1 no hydrogen 3.521 N/A ARG 179.A NH2 ASP 177.A OD2 no hydrogen 3.112 N/A CYS 180.A N ASP 177.A O no hydrogen 3.075 N/A SER 185.A N LEU 175.A O no hydrogen 2.939 N/A ILE 187.A N ILE 173.A O no hydrogen 2.893 N/A LEU 195.A N GLU 214.A OE2 no hydrogen 3.021 N/A THR 197.A N GLY 212.A O no hydrogen 2.869 N/A THR 197.A OG1 GLY 212.A O no hydrogen 2.733 N/A THR 197.A OG1 VAL 239.A O no hydrogen 2.600 N/A SER 198.A N GLY 212.A O no hydrogen 3.217 N/A SER 198.A OG GLY 212.A O no hydrogen 3.546 N/A SER 198.A OG VAL 239.A O no hydrogen 3.363 N/A ALA 200.A N VAL 210.A O no hydrogen 3.126 N/A TRP 201.A NE1 ALA 155.A O no hydrogen 3.025 N/A HIS 202.A N VAL 208.A O no hydrogen 3.051 N/A GLN 204.A N HIS 202.A ND1 no hydrogen 3.221 N/A GLN 205.A N HIS 202.A ND1 no hydrogen 3.263 N/A VAL 208.A N GLN 205.A O no hydrogen 3.525 N/A PHE 209.A N VAL 221.A O no hydrogen 3.114 N/A VAL 210.A N ALA 200.A O no hydrogen 2.856 N/A PHE 211.A N SER 219.A O no hydrogen 2.882 N/A GLY 212.A N SER 198.A O no hydrogen 3.144 N/A GLY 212.A N SER 198.A OG no hydrogen 3.276 N/A ASP 213.A N THR 217.A O no hydrogen 3.137 N/A GLU 214.A N LEU 195.A O no hydrogen 2.828 N/A ASN 215.A N ASP 213.A OD1 no hydrogen 3.085 N/A GLY 216.A N ASP 213.A O no hydrogen 3.492 N/A THR 217.A N ASP 213.A OD1 no hydrogen 2.723 N/A VAL 218.A N SER 232.A O no hydrogen 3.220 N/A SER 219.A N PHE 211.A O no hydrogen 2.890 N/A LEU 220.A N LEU 230.A O no hydrogen 2.736 N/A VAL 221.A N PHE 209.A O no hydrogen 2.833 N/A THR 223.A N GLU 207.A O no hydrogen 2.979 N/A THR 223.A OG1 GLU 207.A O no hydrogen 2.927 N/A THR 223.A OG1 GLU 207.A OE1 no hydrogen 2.872 N/A LYS 224.A N ASP 222.A OD1 no hydrogen 3.363 N/A THR 226.A N ASP 222.A O no hydrogen 3.039 N/A THR 226.A OG1 THR 223.A O no hydrogen 2.859 N/A THR 226.A OG1 LYS 224.A O no hydrogen 3.377 N/A SER 227.A OG SER 225.A O no hydrogen 3.534 N/A VAL 229.A N LEU 220.A O no hydrogen 3.223 N/A SER 232.A N VAL 218.A O no hydrogen 3.150 N/A HIS 235.A N GLY 216.A O no hydrogen 3.036 N/A HIS 235.A NE2 SER 254.A OG no hydrogen 2.811 N/A SER 236.A N ASP 258.A OD2 no hydrogen 2.763 N/A SER 236.A OG ASP 258.A OD2 no hydrogen 3.216 N/A CYS 238.A SG GLU 257.A OE2 no hydrogen 3.365 N/A VAL 239.A N ASP 213.A O no hydrogen 3.177 N/A THR 240.A N LEU 255.A O no hydrogen 2.927 N/A THR 240.A OG1 VAL 281.A O no hydrogen 3.262 N/A VAL 243.A N ALA 253.A O no hydrogen 3.057 N/A SER 245.A N PHE 251.A O no hydrogen 2.862 N/A SER 245.A OG PHE 251.A O no hydrogen 3.401 N/A PHE 251.A N SER 245.A OG no hydrogen 2.578 N/A LEU 252.A N LEU 264.A O no hydrogen 3.113 N/A ALA 253.A N VAL 243.A O no hydrogen 2.616 N/A SER 254.A N ALA 262.A O no hydrogen 2.680 N/A SER 254.A OG HIS 235.A NE2 no hydrogen 2.811 N/A LEU 255.A N GLY 241.A O no hydrogen 2.854 N/A SER 256.A OG CYS 238.A O no hydrogen 3.034 N/A GLU 257.A N CYS 238.A O no hydrogen 3.229 N/A CYS 259.A SG GLU 257.A O no hydrogen 3.969 N/A SER 260.A N ASP 258.A OD1 no hydrogen 3.428 N/A SER 260.A OG HIS 235.A ND1 no hydrogen 3.362 N/A SER 260.A OG ASP 258.A OD1 no hydrogen 2.680 N/A LEU 261.A N SER 274.A O no hydrogen 2.931 N/A ALA 262.A N SER 254.A O no hydrogen 3.139 N/A VAL 263.A N PHE 272.A O no hydrogen 3.153 N/A LEU 264.A N LEU 252.A O no hydrogen 2.733 N/A ASP 265.A N SER 269.A O no hydrogen 2.802 N/A SER 267.A OG ASP 265.A OD2 no hydrogen 2.761 N/A LEU 268.A N ASP 265.A O no hydrogen 3.301 N/A LEU 271.A N VAL 263.A O no hydrogen 2.879 N/A PHE 272.A N VAL 263.A O no hydrogen 3.346 N/A ARG 273.A NH1 VAL 234.A O no hydrogen 2.898 N/A SER 274.A N LEU 261.A O no hydrogen 3.208 N/A SER 274.A OG HIS 306.A NE2 no hydrogen 3.058 N/A HIS 277.A ND1 ASP 300.A OD1 no hydrogen 2.778 N/A HIS 277.A ND1 ASP 300.A OD2 no hydrogen 2.955 N/A HIS 277.A NE2 THR 296.A OG1 no hydrogen 3.122 N/A ARG 278.A N ASP 300.A OD2 no hydrogen 3.007 N/A PHE 280.A N ASP 279.A OD1 no hydrogen 2.890 N/A VAL 281.A N SER 256.A O no hydrogen 3.387 N/A ARG 282.A N VAL 297.A O no hydrogen 2.913 N/A ARG 282.A NH1 GLU 13.A OE2 no hydrogen 2.767 N/A ALA 284.A N ASP 283.A OD1 no hydrogen 2.765 N/A THR 285.A N THR 295.A O no hydrogen 3.027 N/A SER 287.A N LEU 293.A O no hydrogen 3.022 N/A ASN 290.A N SER 287.A OG no hydrogen 3.319 N/A SER 292.A N ASN 290.A OD1 no hydrogen 3.289 N/A SER 292.A OG VAL 308.A O no hydrogen 3.328 N/A LEU 293.A N ASN 290.A O no hydrogen 2.930 N/A LEU 294.A N HIS 306.A O no hydrogen 2.811 N/A THR 295.A N THR 285.A O no hydrogen 2.994 N/A THR 295.A OG1 TYR 17.A OH no hydrogen 2.742 N/A THR 295.A OG1 HIS 305.A ND1 no hydrogen 2.763 N/A THR 296.A N VAL 304.A O no hydrogen 2.810 N/A THR 296.A OG1 HIS 277.A NE2 no hydrogen 3.122 N/A TRP 299.A N PHE 280.A O no hydrogen 3.111 N/A TRP 299.A NE1 GLU 13.A OE1 no hydrogen 3.354 N/A HIS 301.A ND1 ARG 10.A O no hydrogen 2.985 N/A GLN 302.A N ASP 300.A OD1 no hydrogen 3.425 N/A GLN 302.A NE2 ALA 276.A O no hydrogen 2.973 N/A GLN 302.A NE2 ASP 300.A OD2 no hydrogen 2.669 N/A VAL 304.A N THR 296.A O no hydrogen 3.011 N/A HIS 305.A ND1 THR 295.A OG1 no hydrogen 2.763 N/A HIS 306.A N LEU 294.A O no hydrogen 2.570 N/A HIS 306.A NE2 SER 274.A OG no hydrogen 3.058 N/A VAL 308.A N SER 292.A O no hydrogen 2.863 N/A