Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mse_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 6.A SG THR 7.A O no hydrogen 3.882 N/A GLN 16.A N GLY 13.A O no hydrogen 3.015 N/A PHE 17.A N LEU 14.A O no hydrogen 2.900 N/A CYS 24.A N VAL 21.A O no hydrogen 2.788 N/A CYS 24.A SG PRO 20.A O no hydrogen 3.757 N/A ILE 27.A N LEU 23.A O no hydrogen 2.768 N/A LEU 29.A N GLU 26.A O no hydrogen 3.275 N/A GLY 35.A N ASP 33.A OD2 no hydrogen 2.644 N/A PHE 37.A N ILE 34.A O no hydrogen 2.936 N/A MET 40.A N PHE 37.A O no hydrogen 2.763 N/A TRP 41.A N GLU 38.A O no hydrogen 3.201 N/A TRP 41.A NE1 ILE 34.A O no hydrogen 2.746 N/A GLY 43.A N MET 40.A O no hydrogen 2.986 N/A ILE 44.A N MET 40.A O no hydrogen 2.733 N/A PHE 45.A N TRP 41.A O no hydrogen 2.972 N/A TYR 47.A N GLY 43.A O no hydrogen 2.802 N/A MET 48.A N ILE 44.A O no hydrogen 3.031 N/A VAL 49.A N PHE 45.A O no hydrogen 2.847 N/A HIS 50.A N VAL 46.A O no hydrogen 2.736 N/A ARG 51.A N TYR 47.A O no hydrogen 2.869 N/A SER 52.A N MET 48.A O no hydrogen 2.976 N/A SER 52.A N VAL 49.A O no hydrogen 3.164 N/A CYS 53.A N VAL 49.A O no hydrogen 3.000 N/A CYS 53.A SG VAL 49.A O no hydrogen 3.416 N/A LYS 62.A N GLU 59.A O no hydrogen 2.685 N/A LYS 62.A NZ ASN 164.A O no hydrogen 2.929 N/A LEU 63.A N GLU 59.A O no hydrogen 2.870 N/A CYS 64.A N LEU 60.A O no hydrogen 3.235 N/A CYS 64.A SG LEU 60.A O no hydrogen 3.173 N/A PHE 66.A N LYS 62.A O no hydrogen 2.750 N/A ILE 67.A N LEU 63.A O no hydrogen 2.926 N/A MET 68.A N CYS 64.A O no hydrogen 3.432 N/A SER 69.A N ARG 65.A O no hydrogen 3.111 N/A VAL 70.A N PHE 66.A O no hydrogen 2.974 N/A LYS 71.A N ILE 67.A O no hydrogen 2.817 N/A LYS 71.A NZ.A GLU 10.A OE2 no hydrogen 3.456 N/A LYS 72.A N MET 68.A O no hydrogen 3.364 N/A LYS 72.A NZ SER 4.A OG no hydrogen 3.061 N/A ASN 73.A N SER 69.A O no hydrogen 3.436 N/A ASN 73.A ND2 SER 4.A O no hydrogen 3.501 N/A ASN 73.A ND2 SER 69.A O no hydrogen 2.980 N/A TYR 74.A N LYS 71.A O no hydrogen 3.412 N/A TYR 74.A OH LEU 116.A O no hydrogen 2.684 N/A ARG 75.A NE ASP 121.A OD1 no hydrogen 3.189 N/A ARG 75.A NH2 ASP 121.A OD1 no hydrogen 3.436 N/A TYR 79.A N GLU 250.A OE1 no hydrogen 3.121 N/A HIS 80.A N GLU 250.A OE1 no hydrogen 3.042 N/A HIS 80.A ND1 GLU 250.A OE2 no hydrogen 2.665 N/A ASN 81.A N TYR 79.A O no hydrogen 2.676 N/A ASN 81.A ND2 VAL 77.A O no hydrogen 2.953 N/A LYS 83.A N ASN 81.A OD1 no hydrogen 2.734 N/A HIS 84.A N ASN 81.A OD1 no hydrogen 3.302 N/A HIS 84.A NE2 HIS 118.A NE2 no hydrogen 3.085 N/A HIS 84.A NE2 ASP 229.A OD2 no hydrogen 2.666 N/A ALA 85.A N ASN 81.A O no hydrogen 3.177 N/A VAL 86.A N TRP 82.A O no hydrogen 3.336 N/A THR 87.A N LYS 83.A O no hydrogen 3.005 N/A THR 87.A OG1 LYS 83.A O no hydrogen 2.978 N/A VAL 88.A N HIS 84.A O no hydrogen 2.866 N/A ALA 89.A N ALA 85.A O no hydrogen 2.959 N/A HIS 90.A N VAL 86.A O no hydrogen 2.786 N/A HIS 90.A NE2 ILE 27.A O no hydrogen 2.894 N/A CYS 91.A N THR 87.A O no hydrogen 3.341 N/A MET 92.A N VAL 88.A O no hydrogen 3.073 N/A TYR 93.A N ALA 89.A O no hydrogen 3.006 N/A TYR 93.A OH GLU 28.A OE1 no hydrogen 3.390 N/A TYR 93.A OH GLU 28.A OE2 no hydrogen 2.543 N/A ALA 94.A N HIS 90.A O no hydrogen 2.927 N/A ILE 95.A N CYS 91.A O no hydrogen 2.920 N/A LEU 96.A N MET 92.A O no hydrogen 2.660 N/A GLN 97.A N TYR 93.A O no hydrogen 2.853 N/A GLN 97.A NE2 GLU 28.A OE1 no hydrogen 3.244 N/A ASN 98.A N ALA 94.A O no hydrogen 3.316 N/A ASN 98.A ND2 ALA 94.A O no hydrogen 2.718 N/A ASN 99.A N LEU 96.A O no hydrogen 3.293 N/A ASN 99.A ND2 ILE 95.A O no hydrogen 2.733 N/A HIS 100.A N GLN 97.A O no hydrogen 3.291 N/A LEU 102.A N ASN 99.A O no hydrogen 2.930 N/A PHE 103.A N HIS 100.A O no hydrogen 3.369 N/A THR 104.A N GLU 107.A OE1 no hydrogen 3.434 N/A GLU 107.A N THR 104.A OG1 no hydrogen 2.692 N/A ARG 108.A N THR 104.A O no hydrogen 2.757 N/A ARG 108.A NE SER 52.A O no hydrogen 3.210 N/A ARG 108.A NH2 ASP 105.A OD1 no hydrogen 3.089 N/A LYS 109.A N ASP 105.A O no hydrogen 2.835 N/A GLY 110.A N LEU 106.A O no hydrogen 2.742 N/A LEU 111.A N GLU 107.A O no hydrogen 2.715 N/A LEU 112.A N ARG 108.A O no hydrogen 3.006 N/A ILE 113.A N LYS 109.A O no hydrogen 3.021 N/A ALA 114.A N GLY 110.A O no hydrogen 2.967 N/A CYS 115.A N LEU 111.A O no hydrogen 2.742 N/A LEU 116.A N LEU 112.A O no hydrogen 3.345 N/A CYS 117.A N ALA 114.A O no hydrogen 2.963 N/A CYS 117.A SG ILE 113.A O no hydrogen 3.206 N/A HIS 118.A N CYS 115.A O no hydrogen 3.327 N/A HIS 118.A ND1 CYS 115.A O no hydrogen 2.667 N/A HIS 118.A NE2 HIS 84.A NE2 no hydrogen 3.085 N/A HIS 118.A NE2 ASP 229.A OD2 no hydrogen 2.964 N/A LEU 120.A N CYS 117.A O no hydrogen 3.200 N/A ASP 121.A N ASN 73.A O no hydrogen 3.146 N/A ARG 123.A NE ASP 121.A OD2 no hydrogen 3.151 N/A ARG 123.A NH2 ASP 121.A OD2 no hydrogen 3.220 N/A GLY 124.A N HIS 122.A ND1 no hydrogen 2.962 N/A SER 126.A N GLU 254.A OE1 no hydrogen 2.857 N/A SER 126.A OG GLU 254.A OE1 no hydrogen 3.425 N/A SER 126.A OG GLU 254.A OE2 no hydrogen 2.805 N/A ASN 127.A ND2 GLU 147.A OE1 no hydrogen 3.473 N/A TYR 129.A N SER 126.A OG no hydrogen 3.400 N/A LEU 130.A N SER 126.A O no hydrogen 3.386 N/A GLN 131.A N ASN 127.A O no hydrogen 2.924 N/A GLN 131.A NE2 THR 145.A OG1 no hydrogen 3.203 N/A LYS 132.A N SER 128.A O no hydrogen 2.904 N/A PHE 133.A N TYR 129.A O no hydrogen 3.093 N/A HIS 135.A N LEU 130.A O no hydrogen 3.087 N/A LEU 137.A N HIS 135.A ND1 no hydrogen 3.128 N/A ALA 138.A N HIS 135.A O no hydrogen 2.727 N/A LEU 140.A N PRO 136.A O no hydrogen 3.116 N/A TYR 141.A N LEU 137.A O no hydrogen 2.647 N/A SER 144.A OG ASP 189.A OD2 no hydrogen 2.631 N/A THR 145.A OG1 TYR 141.A O no hydrogen 2.925 N/A MET 146.A N ASN 127.A OD1 no hydrogen 3.056 N/A GLN 148.A N SER 144.A O no hydrogen 3.184 N/A GLN 148.A NE2 THR 143.A O no hydrogen 2.775 N/A HIS 149.A N THR 145.A O no hydrogen 3.394 N/A HIS 149.A NE2 ASP 121.A OD2 no hydrogen 2.848 N/A HIS 150.A N MET 146.A O no hydrogen 2.805 N/A HIS 150.A ND1 LEU 120.A O no hydrogen 2.546 N/A PHE 151.A N GLU 147.A O no hydrogen 2.969 N/A SER 152.A N GLN 148.A O no hydrogen 3.065 N/A GLN 153.A N HIS 149.A O no hydrogen 3.018 N/A THR 154.A N HIS 150.A O no hydrogen 3.169 N/A THR 154.A OG1 HIS 150.A O no hydrogen 2.860 N/A VAL 155.A N PHE 151.A O no hydrogen 2.838 N/A SER 156.A N SER 152.A O no hydrogen 2.746 N/A SER 156.A OG.A SER 152.A O no hydrogen 2.961 N/A ILE 157.A N GLN 153.A O no hydrogen 2.812 N/A LEU 158.A N THR 154.A O no hydrogen 3.069 N/A GLN 159.A N VAL 155.A O no hydrogen 2.903 N/A LEU 160.A N SER 156.A O no hydrogen 3.110 N/A HIS 163.A N LEU 160.A O no hydrogen 3.192 N/A PHE 166.A N ASN 164.A OD1 no hydrogen 2.857 N/A LEU 169.A N PHE 166.A O no hydrogen 3.232 N/A SER 170.A N GLU 173.A OE2 no hydrogen 3.242 N/A SER 170.A OG GLU 173.A OE2 no hydrogen 3.041 N/A GLU 173.A N SER 170.A OG no hydrogen 3.208 N/A TYR 174.A N SER 170.A O no hydrogen 2.770 N/A VAL 177.A N GLU 173.A O no hydrogen 3.015 N/A LEU 178.A N TYR 174.A O no hydrogen 3.198 N/A ILE 180.A N GLN 176.A O no hydrogen 2.718 N/A ILE 181.A N VAL 177.A O no hydrogen 2.894 N/A ARG 182.A N LEU 178.A O no hydrogen 2.797 N/A ARG 182.A NE GLU 179.A OE1 no hydrogen 3.295 N/A ARG 182.A NE GLU 179.A OE2 no hydrogen 3.184 N/A LYS 183.A N GLU 179.A O no hydrogen 2.896 N/A LYS 183.A NZ ASP 218.A OD1 no hydrogen 2.986 N/A LYS 183.A NZ ASP 218.A OD2 no hydrogen 2.818 N/A ALA 184.A N ILE 180.A O no hydrogen 3.027 N/A ILE 185.A N ILE 181.A O no hydrogen 2.884 N/A ILE 186.A N ARG 182.A O no hydrogen 3.053 N/A ALA 187.A N LYS 183.A O no hydrogen 3.020 N/A THR 188.A N ILE 185.A O no hydrogen 2.855 N/A THR 188.A OG1 ILE 185.A O no hydrogen 2.260 N/A ASP 189.A N ILE 186.A O no hydrogen 3.336 N/A ALA 191.A N ASP 189.A OD1 no hydrogen 3.261 N/A LEU 192.A N ASP 189.A O no hydrogen 2.851 N/A TYR 193.A N LEU 190.A O no hydrogen 2.833 N/A TYR 193.A OH VAL 288.A O no hydrogen 2.685 N/A ASN 196.A N LEU 192.A O no hydrogen 3.274 N/A ARG 197.A N TYR 193.A O no hydrogen 2.697 N/A LYS 198.A N PHE 194.A O no hydrogen 3.128 N/A GLN 199.A N GLY 195.A O no hydrogen 3.095 N/A LEU 200.A N ASN 196.A O no hydrogen 3.154 N/A GLU 201.A N ARG 197.A O no hydrogen 2.809 N/A GLU 202.A N LYS 198.A O no hydrogen 2.691 N/A MET 203.A N GLN 199.A O no hydrogen 2.746 N/A TYR 204.A N LEU 200.A O no hydrogen 3.053 N/A GLN 205.A N GLU 201.A O no hydrogen 3.149 N/A GLN 205.A NE2 GLU 201.A OE2 no hydrogen 3.440 N/A THR 206.A N MET 203.A O no hydrogen 3.350 N/A THR 206.A OG1 GLU 202.A O no hydrogen 2.835 N/A THR 206.A OG1 MET 203.A O no hydrogen 3.065 N/A THR 206.A OG1 SER 208.A OG no hydrogen 2.482 N/A GLY 207.A N TYR 204.A O no hydrogen 2.735 N/A SER 208.A N MET 203.A O no hydrogen 2.738 N/A SER 208.A OG MET 203.A O no hydrogen 2.862 N/A ASN 210.A N HIS 216.A ND1 no hydrogen 3.451 N/A ASN 212.A N ASN 210.A OD1 no hydrogen 2.765 N/A ASN 213.A N ASN 210.A O no hydrogen 3.070 N/A GLN 214.A NE2 GLN 214.A O no hydrogen 3.285 N/A SER 215.A N ASN 213.A OD1 no hydrogen 3.052 N/A SER 215.A OG ASN 213.A OD1 no hydrogen 3.085 N/A HIS 216.A N ASN 213.A OD1 no hydrogen 3.427 N/A ARG 217.A N ASN 213.A O no hydrogen 2.858 N/A ARG 217.A NE GLU 107.A OE1 no hydrogen 3.167 N/A ARG 217.A NE GLU 107.A OE2 no hydrogen 2.580 N/A ARG 217.A NH1 LEU 211.A O no hydrogen 3.020 N/A ARG 217.A NH2 LEU 102.A O no hydrogen 2.482 N/A ARG 217.A NH2 GLU 107.A OE1 no hydrogen 2.621 N/A ASP 218.A N GLN 214.A O no hydrogen 3.211 N/A ARG 219.A N SER 215.A O no hydrogen 3.341 N/A VAL 220.A N HIS 216.A O no hydrogen 2.957 N/A ILE 221.A N ARG 217.A O no hydrogen 2.876 N/A GLY 222.A N ASP 218.A O no hydrogen 2.729 N/A LEU 223.A N ARG 219.A O no hydrogen 3.088 N/A MET 224.A N VAL 220.A O no hydrogen 3.030 N/A MET 225.A N ILE 221.A O no hydrogen 2.921 N/A THR 226.A N GLY 222.A O no hydrogen 3.176 N/A THR 226.A OG1 GLY 222.A O no hydrogen 3.312 N/A ALA 227.A N LEU 223.A O no hydrogen 2.818 N/A CYS 228.A N MET 224.A O no hydrogen 2.967 N/A CYS 228.A SG MET 224.A O no hydrogen 3.199 N/A ASP 229.A N MET 225.A O no hydrogen 3.055 N/A LEU 230.A N THR 226.A O no hydrogen 3.294 N/A CYS 231.A N CYS 228.A O no hydrogen 2.930 N/A CYS 231.A SG THR 87.A O no hydrogen 3.647 N/A CYS 231.A SG CYS 228.A O no hydrogen 3.151 N/A VAL 233.A N LEU 230.A O no hydrogen 2.965 N/A THR 234.A N CYS 231.A O no hydrogen 2.780 N/A THR 234.A OG1 CYS 231.A O no hydrogen 2.338 N/A LYS 235.A NZ PHE 30.A O no hydrogen 3.136 N/A LYS 235.A NZ PHE 32.A O no hydrogen 2.765 N/A VAL 239.A N LEU 236.A O no hydrogen 3.099 N/A THR 240.A N LEU 236.A O no hydrogen 3.194 N/A THR 240.A OG1 SER 232.A O no hydrogen 3.182 N/A THR 240.A OG1 LEU 236.A O no hydrogen 3.221 N/A LYS 241.A N TRP 237.A O no hydrogen 2.990 N/A LYS 241.A NZ.B GLU 325.A OE2 no hydrogen 3.239 N/A LEU 242.A N PRO 238.A O no hydrogen 3.204 N/A THR 243.A N VAL 239.A O no hydrogen 2.849 N/A THR 243.A OG1 VAL 239.A O no hydrogen 2.640 N/A ALA 244.A N THR 240.A O no hydrogen 3.057 N/A ASN 245.A N LYS 241.A O no hydrogen 3.348 N/A ASP 246.A N LEU 242.A O no hydrogen 3.371 N/A ASP 246.A N THR 243.A O no hydrogen 2.812 N/A ILE 247.A N THR 243.A O no hydrogen 3.167 N/A ILE 247.A N ALA 244.A O no hydrogen 3.210 N/A TYR 248.A N ALA 244.A O no hydrogen 3.222 N/A ALA 249.A N ASN 245.A O no hydrogen 3.116 N/A GLU 250.A N ASP 246.A O no hydrogen 3.305 N/A PHE 251.A N ILE 247.A O no hydrogen 2.715 N/A TRP 252.A N TYR 248.A O no hydrogen 2.654 N/A ALA 253.A N ALA 249.A O no hydrogen 3.391 N/A GLU 254.A N GLU 250.A O no hydrogen 3.364 N/A GLY 255.A N PHE 251.A O no hydrogen 3.056 N/A ASP 256.A N TRP 252.A O no hydrogen 2.680 N/A GLU 257.A N GLU 254.A O no hydrogen 2.944 N/A MET 258.A N GLU 254.A O no hydrogen 3.205 N/A MET 258.A N GLY 255.A O no hydrogen 3.131 N/A LYS 259.A N GLY 255.A O no hydrogen 3.107 N/A LYS 259.A NZ ASP 270.A OD1 no hydrogen 2.860 N/A LEU 261.A N MET 258.A O no hydrogen 3.423 N/A ILE 263.A N MET 258.A O no hydrogen 3.059 N/A MET 269.A N ILE 266.A O no hydrogen 2.843 N/A ASP 270.A N PRO 267.A O no hydrogen 3.007 N/A ARG 271.A NE ASP 256.A OD1 no hydrogen 3.317 N/A ARG 271.A NE ASP 256.A OD2 no hydrogen 3.350 N/A ARG 271.A NH2 ASP 256.A OD2 no hydrogen 2.746 N/A ASP 272.A N ASP 270.A OD1 no hydrogen 3.017 N/A LYS 273.A N ASP 270.A O no hydrogen 2.787 N/A GLU 276.A N LYS 273.A O no hydrogen 3.036 N/A VAL 277.A N LYS 274.A O no hydrogen 2.958 N/A GLY 280.A N GLU 276.A O no hydrogen 2.701 N/A GLN 281.A N VAL 277.A O no hydrogen 2.682 N/A GLN 281.A NE2 TYR 248.A OH no hydrogen 3.015 N/A LEU 282.A N PRO 278.A O no hydrogen 3.143 N/A GLY 283.A N GLN 279.A O no hydrogen 3.162 N/A PHE 284.A N GLY 280.A O no hydrogen 3.478 N/A TYR 285.A N GLN 281.A O no hydrogen 2.885 N/A ASN 286.A N LEU 282.A O no hydrogen 2.879 N/A ALA 287.A N GLY 283.A O no hydrogen 2.724 N/A ALA 289.A N PHE 284.A O no hydrogen 3.061 N/A ILE 290.A N TYR 285.A O no hydrogen 2.915 N/A CYS 292.A N VAL 288.A O no hydrogen 2.814 N/A TYR 293.A N ALA 289.A O no hydrogen 2.842 N/A TYR 293.A OH ALA 227.A O no hydrogen 2.688 N/A THR 294.A N ILE 290.A O no hydrogen 2.648 N/A THR 294.A OG1 ILE 290.A O no hydrogen 3.213 N/A THR 295.A N PRO 291.A O no hydrogen 2.932 N/A THR 295.A OG1 PRO 291.A O no hydrogen 2.921 N/A LEU 296.A N CYS 292.A O no hydrogen 3.310 N/A THR 297.A N TYR 293.A O no hydrogen 2.826 N/A THR 297.A N THR 294.A O no hydrogen 3.099 N/A THR 297.A OG1 TYR 293.A O no hydrogen 3.361 N/A GLN 298.A N THR 294.A O no hydrogen 3.325 N/A ILE 299.A N THR 295.A O no hydrogen 3.180 N/A LEU 300.A N LEU 296.A O no hydrogen 2.803 N/A THR 303.A N LEU 300.A O no hydrogen 3.089 N/A THR 303.A OG1 LEU 296.A O no hydrogen 3.139 N/A THR 303.A OG1 LEU 300.A O no hydrogen 2.565 N/A GLU 304.A N PRO 301.A O no hydrogen 3.156 N/A LEU 306.A N THR 303.A O no hydrogen 2.901 N/A LYS 308.A N GLU 304.A O no hydrogen 2.979 N/A ALA 309.A N PRO 305.A O no hydrogen 3.164 N/A CYS 310.A N LEU 306.A O no hydrogen 3.128 N/A ARG 311.A N LEU 307.A O no hydrogen 2.914 N/A ASP 312.A N LYS 308.A O no hydrogen 3.327 N/A ASN 313.A N ALA 309.A O no hydrogen 2.868 N/A ASN 313.A ND2 VAL 233.A O no hydrogen 2.699 N/A ASN 313.A ND2 LYS 235.A O no hydrogen 2.784 N/A LEU 314.A N CYS 310.A O no hydrogen 2.932 N/A SER 315.A N ARG 311.A O no hydrogen 2.867 N/A SER 315.A OG.B ARG 311.A O no hydrogen 2.577 N/A GLN 316.A N ASP 312.A O no hydrogen 2.719 N/A TRP 317.A N ASN 313.A O no hydrogen 2.906 N/A GLU 318.A N LEU 314.A O no hydrogen 2.882 N/A LYS 319.A N SER 315.A O no hydrogen 3.137 N/A LYS 319.A NZ GLN 316.A OE1.A no hydrogen 3.448 N/A VAL 320.A N GLN 316.A O no hydrogen 2.848 N/A ILE 321.A N TRP 317.A O no hydrogen 2.964 N/A ARG 322.A N GLU 318.A O no hydrogen 3.004 N/A ARG 322.A NE GLU 324.A OE2 no hydrogen 3.197 N/A GLY 323.A N VAL 320.A O no hydrogen 3.297 N/A GLU 324.A N LYS 319.A O no hydrogen 2.974 N/A ALA 327.A N THR 326.A OG1 no hydrogen 2.624 N/A