Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4msh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 SER 155.A OG.B no hydrogen 3.361 N/A SER 3.A N ASN 72.A OD1 no hydrogen 3.431 N/A CYS 5.A N SER 68.A OG no hydrogen 2.958 N/A CYS 5.A SG THR 6.A O no hydrogen 3.737 N/A CYS 5.A SG ARG 64.A O no hydrogen 3.707 N/A GLU 9.A N THR 6.A O no hydrogen 3.171 N/A GLU 9.A N THR 6.A OG1 no hydrogen 2.964 N/A TRP 10.A N THR 6.A O no hydrogen 3.476 N/A GLY 12.A N GLU 8.A O no hydrogen 3.310 N/A PHE 16.A N LEU 13.A O no hydrogen 2.949 N/A LEU 22.A N PRO 19.A O no hydrogen 3.136 N/A CYS 23.A N VAL 20.A O no hydrogen 3.240 N/A CYS 23.A SG PRO 19.A O no hydrogen 3.935 N/A CYS 23.A SG VAL 20.A O no hydrogen 3.533 N/A GLU 25.A N LEU 22.A O no hydrogen 2.784 N/A ILE 26.A N LEU 22.A O no hydrogen 2.890 N/A LEU 28.A N GLU 25.A O no hydrogen 2.879 N/A GLY 34.A N ASP 32.A OD2 no hydrogen 3.033 N/A PHE 36.A N ILE 33.A O no hydrogen 2.906 N/A MET 39.A N PHE 36.A O no hydrogen 2.827 N/A TRP 40.A N GLU 37.A O no hydrogen 3.340 N/A TRP 40.A NE1 ILE 33.A O no hydrogen 2.843 N/A ILE 43.A N MET 39.A O no hydrogen 2.791 N/A PHE 44.A N TRP 40.A O no hydrogen 3.066 N/A PHE 44.A N PRO 41.A O no hydrogen 3.064 N/A VAL 45.A N PRO 41.A O no hydrogen 3.125 N/A TYR 46.A N GLY 42.A O no hydrogen 3.126 N/A MET 47.A N ILE 43.A O no hydrogen 3.162 N/A VAL 48.A N PHE 44.A O no hydrogen 2.860 N/A HIS 49.A N VAL 45.A O no hydrogen 2.800 N/A ARG 50.A N TYR 46.A O no hydrogen 2.933 N/A SER 51.A N MET 47.A O no hydrogen 3.038 N/A CYS 52.A N VAL 48.A O no hydrogen 2.742 N/A GLY 53.A N HIS 49.A O no hydrogen 2.851 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.979 N/A LYS 61.A NZ ASN 163.A O no hydrogen 3.375 N/A LEU 62.A N GLU 58.A O no hydrogen 2.903 N/A CYS 63.A N LEU 59.A O no hydrogen 2.819 N/A ARG 64.A N GLU 60.A O no hydrogen 2.917 N/A ARG 64.A NH1 GLY 161.A O no hydrogen 3.517 N/A PHE 65.A N LYS 61.A O no hydrogen 3.126 N/A ILE 66.A N LEU 62.A O no hydrogen 2.936 N/A MET 67.A N CYS 63.A O no hydrogen 3.243 N/A SER 68.A N ARG 64.A O no hydrogen 3.185 N/A SER 68.A OG HIS 162.A NE2 no hydrogen 2.999 N/A VAL 69.A N PHE 65.A O no hydrogen 2.838 N/A LYS 70.A N ILE 66.A O no hydrogen 2.771 N/A LYS 71.A N MET 67.A O no hydrogen 3.236 N/A LYS 71.A NZ ILE 4.A O no hydrogen 3.067 N/A ASN 72.A N SER 68.A O no hydrogen 3.154 N/A ASN 72.A ND2 SER 3.A O no hydrogen 2.985 N/A ASN 72.A ND2 SER 68.A O no hydrogen 3.259 N/A TYR 73.A N LYS 70.A O no hydrogen 3.080 N/A TYR 73.A OH LEU 115.A O no hydrogen 2.900 N/A ARG 74.A NE ASP 120.A OD1 no hydrogen 3.009 N/A ARG 74.A NH2 ASP 120.A OD1 no hydrogen 3.332 N/A VAL 76.A N ARG 74.A O no hydrogen 2.752 N/A TYR 78.A N GLU 249.A OE1 no hydrogen 2.804 N/A HIS 79.A N GLU 249.A OE1 no hydrogen 2.926 N/A HIS 79.A ND1 GLU 249.A OE2 no hydrogen 2.497 N/A ASN 80.A N TYR 78.A O no hydrogen 2.636 N/A ASN 80.A ND2 VAL 76.A O no hydrogen 2.805 N/A ASN 80.A ND2 PRO 77.A O no hydrogen 2.957 N/A HIS 83.A N ASN 80.A O no hydrogen 2.759 N/A HIS 83.A N ASN 80.A OD1 no hydrogen 3.336 N/A HIS 83.A NE2 ASP 228.A OD2 no hydrogen 3.155 N/A ALA 84.A N ASN 80.A O no hydrogen 3.114 N/A VAL 85.A N TRP 81.A O no hydrogen 3.286 N/A THR 86.A N LYS 82.A O no hydrogen 3.252 N/A THR 86.A OG1 LYS 82.A O no hydrogen 2.587 N/A VAL 87.A N HIS 83.A O no hydrogen 2.935 N/A ALA 88.A N ALA 84.A O no hydrogen 3.044 N/A HIS 89.A N VAL 85.A O no hydrogen 2.912 N/A HIS 89.A NE2 ILE 26.A O no hydrogen 2.736 N/A CYS 90.A N THR 86.A O no hydrogen 3.229 N/A MET 91.A N VAL 87.A O no hydrogen 3.114 N/A TYR 92.A N ALA 88.A O no hydrogen 2.896 N/A TYR 92.A OH GLU 27.A OE2 no hydrogen 2.502 N/A ALA 93.A N HIS 89.A O no hydrogen 2.795 N/A ILE 94.A N CYS 90.A O no hydrogen 3.013 N/A LEU 95.A N MET 91.A O no hydrogen 2.787 N/A GLN 96.A N TYR 92.A O no hydrogen 3.035 N/A GLN 96.A NE2 GLU 27.A OE1 no hydrogen 3.210 N/A ASN 97.A N ALA 93.A O no hydrogen 3.289 N/A ASN 97.A N ILE 94.A O no hydrogen 3.251 N/A ASN 97.A ND2 ALA 93.A O no hydrogen 2.925 N/A ASN 98.A N LEU 95.A O no hydrogen 3.076 N/A ASN 98.A ND2 ILE 94.A O no hydrogen 2.758 N/A LEU 101.A N ASN 98.A O no hydrogen 3.182 N/A THR 103.A N GLU 106.A OE1 no hydrogen 3.128 N/A GLU 106.A N THR 103.A OG1 no hydrogen 3.057 N/A ARG 107.A N THR 103.A O no hydrogen 3.052 N/A ARG 107.A NH1 HIS 99.A O no hydrogen 3.215 N/A ARG 107.A NH2 SER 51.A O no hydrogen 3.504 N/A ARG 107.A NH2 ASP 104.A OD1 no hydrogen 2.663 N/A LYS 108.A N ASP 104.A O no hydrogen 3.327 N/A GLY 109.A N LEU 105.A O no hydrogen 3.154 N/A LEU 110.A N GLU 106.A O no hydrogen 2.777 N/A LEU 111.A N ARG 107.A O no hydrogen 3.117 N/A ILE 112.A N LYS 108.A O no hydrogen 3.202 N/A ALA 113.A N GLY 109.A O no hydrogen 2.778 N/A CYS 114.A N LEU 110.A O no hydrogen 2.992 N/A CYS 114.A SG VAL 87.A O no hydrogen 3.986 N/A CYS 114.A SG LEU 110.A O no hydrogen 3.278 N/A LEU 115.A N LEU 111.A O no hydrogen 3.284 N/A CYS 116.A N ILE 112.A O no hydrogen 2.975 N/A CYS 116.A N ALA 113.A O no hydrogen 3.117 N/A HIS 117.A ND1 CYS 114.A O no hydrogen 2.750 N/A HIS 117.A NE2 ASP 228.A OD2 no hydrogen 2.952 N/A ASP 118.A N TYR 73.A OH no hydrogen 3.206 N/A LEU 119.A N CYS 116.A O no hydrogen 3.209 N/A ASP 120.A N ASN 72.A O no hydrogen 3.159 N/A ARG 122.A NE ASP 120.A O no hydrogen 2.990 N/A ARG 122.A NH2 ASP 120.A OD2 no hydrogen 2.846 N/A GLY 123.A N HIS 121.A ND1 no hydrogen 2.996 N/A SER 125.A N GLU 253.A OE1 no hydrogen 2.912 N/A SER 125.A OG GLU 253.A OE2 no hydrogen 2.667 N/A ASN 126.A ND2 GLU 146.A OE1 no hydrogen 3.146 N/A TYR 128.A N SER 125.A OG no hydrogen 3.421 N/A LEU 129.A N SER 125.A O no hydrogen 3.435 N/A GLN 130.A N ASN 126.A O no hydrogen 3.164 N/A LYS 131.A N SER 127.A O no hydrogen 2.900 N/A PHE 132.A N TYR 128.A O no hydrogen 3.098 N/A HIS 134.A N LEU 129.A O no hydrogen 2.839 N/A LEU 136.A N HIS 134.A ND1 no hydrogen 3.115 N/A ALA 137.A N HIS 134.A O no hydrogen 2.742 N/A LEU 139.A N PRO 135.A O no hydrogen 3.340 N/A TYR 140.A N LEU 136.A O no hydrogen 2.882 N/A SER 143.A OG ASP 188.A OD2 no hydrogen 2.701 N/A THR 144.A OG1 TYR 140.A O no hydrogen 2.901 N/A MET 145.A N ASN 126.A OD1 no hydrogen 3.002 N/A GLN 147.A N SER 143.A O no hydrogen 3.080 N/A GLN 147.A NE2 THR 142.A O no hydrogen 3.030 N/A HIS 148.A N THR 144.A O no hydrogen 3.342 N/A HIS 148.A NE2 ASP 120.A OD2 no hydrogen 2.942 N/A HIS 149.A N MET 145.A O no hydrogen 2.785 N/A HIS 149.A ND1 LEU 119.A O no hydrogen 2.592 N/A PHE 150.A N GLU 146.A O no hydrogen 3.338 N/A SER 151.A N GLN 147.A O no hydrogen 3.026 N/A GLN 152.A N HIS 148.A O no hydrogen 2.949 N/A THR 153.A N HIS 149.A O no hydrogen 3.105 N/A THR 153.A OG1 HIS 149.A O no hydrogen 2.950 N/A VAL 154.A N PHE 150.A O no hydrogen 3.080 N/A SER 155.A N SER 151.A O no hydrogen 3.194 N/A SER 155.A OG.A SER 151.A O no hydrogen 2.736 N/A SER 155.A OG.B THR 2.A OG1 no hydrogen 3.361 N/A ILE 156.A N GLN 152.A O no hydrogen 3.031 N/A LEU 157.A N THR 153.A O no hydrogen 2.993 N/A GLN 158.A N VAL 154.A O no hydrogen 3.055 N/A LEU 159.A N ILE 156.A O no hydrogen 3.253 N/A HIS 162.A N LEU 159.A O no hydrogen 3.008 N/A HIS 162.A ND1 GLU 160.A O no hydrogen 2.930 N/A HIS 162.A NE2 SER 68.A OG no hydrogen 2.999 N/A ASN 163.A ND2 TYR 173.A OH no hydrogen 3.150 N/A PHE 165.A N ASN 163.A OD1 no hydrogen 3.138 N/A SER 166.A OG ASN 163.A O no hydrogen 3.534 N/A LEU 168.A N PHE 165.A O no hydrogen 3.327 N/A SER 169.A OG GLU 172.A OE2 no hydrogen 3.205 N/A GLU 172.A N SER 169.A OG no hydrogen 3.300 N/A TYR 173.A N SER 169.A O no hydrogen 2.733 N/A GLU 174.A N SER 170.A O no hydrogen 3.180 N/A GLN 175.A N SER 171.A O no hydrogen 3.189 N/A GLN 175.A NE2 SER 171.A O no hydrogen 3.212 N/A GLN 175.A NE2 SER 171.A OG no hydrogen 3.312 N/A VAL 176.A N GLU 172.A O no hydrogen 2.990 N/A LEU 177.A N TYR 173.A O no hydrogen 3.357 N/A GLU 178.A N GLU 174.A O no hydrogen 3.203 N/A ILE 179.A N GLN 175.A O no hydrogen 2.863 N/A ILE 180.A N VAL 176.A O no hydrogen 2.936 N/A ARG 181.A N LEU 177.A O no hydrogen 2.730 N/A ARG 181.A NE GLU 178.A OE1 no hydrogen 3.142 N/A ARG 181.A NE GLU 178.A OE2 no hydrogen 3.145 N/A ARG 181.A NH2 GLU 178.A OE2 no hydrogen 2.818 N/A LYS 182.A N GLU 178.A O no hydrogen 2.846 N/A LYS 182.A NZ ASP 217.A OD2 no hydrogen 2.616 N/A ALA 183.A N ILE 179.A O no hydrogen 2.893 N/A ILE 184.A N ILE 180.A O no hydrogen 2.843 N/A ILE 185.A N ARG 181.A O no hydrogen 2.973 N/A ALA 186.A N ALA 183.A O no hydrogen 3.250 N/A THR 187.A N ILE 184.A O no hydrogen 3.290 N/A THR 187.A OG1 ILE 184.A O no hydrogen 2.617 N/A ASP 188.A N ILE 185.A O no hydrogen 3.219 N/A ALA 190.A N ASP 188.A OD1 no hydrogen 3.135 N/A LEU 191.A N ASP 188.A O no hydrogen 2.935 N/A ASN 195.A N LEU 191.A O no hydrogen 3.161 N/A ARG 196.A N TYR 192.A O no hydrogen 2.900 N/A ARG 196.A NE PRO 290.A O no hydrogen 3.475 N/A LYS 197.A N PHE 193.A O no hydrogen 3.390 N/A GLN 198.A N GLY 194.A O no hydrogen 3.085 N/A LEU 199.A N ASN 195.A O no hydrogen 2.818 N/A GLU 200.A N ARG 196.A O no hydrogen 2.747 N/A GLU 201.A N LYS 197.A O no hydrogen 3.111 N/A MET 202.A N GLN 198.A O no hydrogen 2.942 N/A TYR 203.A N LEU 199.A O no hydrogen 3.074 N/A GLN 204.A N GLU 200.A O no hydrogen 2.958 N/A THR 205.A N GLU 201.A O no hydrogen 3.175 N/A THR 205.A OG1 GLU 201.A O no hydrogen 2.762 N/A GLY 206.A N TYR 203.A O no hydrogen 3.182 N/A LEU 208.A N MET 202.A O no hydrogen 2.821 N/A ASN 209.A N HIS 215.A ND1 no hydrogen 2.756 N/A ASN 211.A N ASN 209.A OD1 no hydrogen 2.818 N/A ASN 212.A N ASN 209.A O no hydrogen 3.041 N/A GLN 213.A NE2 ASP 217.A OD1 no hydrogen 2.929 N/A SER 214.A N ASN 212.A OD1 no hydrogen 2.924 N/A SER 214.A OG ASN 212.A OD1 no hydrogen 2.883 N/A HIS 215.A N ASN 212.A O no hydrogen 2.863 N/A HIS 215.A N ASN 212.A OD1 no hydrogen 3.476 N/A ARG 216.A N ASN 212.A O no hydrogen 3.146 N/A ARG 216.A NE GLU 106.A OE2 no hydrogen 2.845 N/A ARG 216.A NH1 LEU 101.A O no hydrogen 3.322 N/A ARG 216.A NH1 LEU 210.A O no hydrogen 3.249 N/A ARG 216.A NH2 LEU 101.A O no hydrogen 2.985 N/A ARG 216.A NH2 GLU 106.A OE1 no hydrogen 2.410 N/A ARG 216.A NH2 GLU 106.A OE2 no hydrogen 2.960 N/A ASP 217.A N GLN 213.A O no hydrogen 3.126 N/A ARG 218.A N SER 214.A O no hydrogen 3.400 N/A VAL 219.A N HIS 215.A O no hydrogen 2.974 N/A ILE 220.A N ARG 216.A O no hydrogen 2.854 N/A GLY 221.A N ASP 217.A O no hydrogen 2.798 N/A LEU 222.A N ARG 218.A O no hydrogen 2.874 N/A MET 223.A N VAL 219.A O no hydrogen 2.883 N/A MET 224.A N ILE 220.A O no hydrogen 2.886 N/A THR 225.A N GLY 221.A O no hydrogen 3.162 N/A THR 225.A OG1 GLY 221.A O no hydrogen 3.217 N/A ALA 226.A N LEU 222.A O no hydrogen 2.788 N/A CYS 227.A N MET 223.A O no hydrogen 2.959 N/A CYS 227.A SG MET 223.A O no hydrogen 3.234 N/A ASP 228.A N MET 224.A O no hydrogen 2.929 N/A LEU 229.A N THR 225.A O no hydrogen 3.067 N/A CYS 230.A N CYS 227.A O no hydrogen 3.365 N/A CYS 230.A SG THR 86.A O no hydrogen 3.712 N/A CYS 230.A SG CYS 227.A O no hydrogen 3.294 N/A VAL 232.A N LEU 229.A O no hydrogen 2.924 N/A THR 233.A N CYS 230.A O no hydrogen 2.727 N/A THR 233.A OG1 CYS 230.A O no hydrogen 2.632 N/A LYS 234.A NZ PHE 29.A O no hydrogen 2.956 N/A LYS 234.A NZ PHE 31.A O no hydrogen 3.309 N/A THR 239.A N LEU 235.A O no hydrogen 3.011 N/A THR 239.A OG1 SER 231.A O no hydrogen 2.809 N/A THR 239.A OG1 LYS 234.A O no hydrogen 2.973 N/A LYS 240.A N TRP 236.A O no hydrogen 2.774 N/A LEU 241.A N PRO 237.A O no hydrogen 3.133 N/A THR 242.A N VAL 238.A O no hydrogen 3.114 N/A THR 242.A OG1 VAL 238.A O no hydrogen 3.018 N/A ALA 243.A N THR 239.A O no hydrogen 3.156 N/A ASP 245.A N THR 242.A O no hydrogen 2.941 N/A ILE 246.A N THR 242.A O no hydrogen 3.075 N/A TYR 247.A N ALA 243.A O no hydrogen 2.926 N/A ALA 248.A N ASN 244.A O no hydrogen 3.082 N/A GLU 249.A N ASP 245.A O no hydrogen 3.140 N/A PHE 250.A N ILE 246.A O no hydrogen 3.028 N/A TRP 251.A N TYR 247.A O no hydrogen 2.767 N/A GLU 253.A N GLU 249.A O no hydrogen 3.398 N/A GLY 254.A N PHE 250.A O no hydrogen 3.152 N/A ASP 255.A N TRP 251.A O no hydrogen 3.017 N/A GLU 256.A N GLU 253.A O no hydrogen 2.978 N/A MET 257.A N GLU 253.A O no hydrogen 3.131 N/A LYS 258.A N GLY 254.A O no hydrogen 3.255 N/A LYS 258.A NZ ASP 269.A OD1 no hydrogen 3.179 N/A LYS 258.A NZ ASP 271.A OD1 no hydrogen 3.129 N/A GLY 261.A N LYS 258.A O no hydrogen 2.901 N/A ILE 262.A N MET 257.A O no hydrogen 2.887 N/A MET 268.A N ILE 265.A O no hydrogen 2.954 N/A ASP 269.A N PRO 266.A O no hydrogen 3.127 N/A ARG 270.A NE ASP 255.A OD1 no hydrogen 3.444 N/A ARG 270.A NE ASP 255.A OD2 no hydrogen 3.134 N/A ARG 270.A NH2 ASP 255.A OD2 no hydrogen 3.137 N/A ASP 271.A N ASP 269.A OD1 no hydrogen 3.499 N/A LYS 272.A N ASP 269.A O no hydrogen 2.951 N/A LYS 272.A NZ GLN 263.A OE1 no hydrogen 3.510 N/A GLU 275.A N LYS 272.A O no hydrogen 3.164 N/A VAL 276.A N LYS 273.A O no hydrogen 3.051 N/A GLY 279.A N GLU 275.A O no hydrogen 2.921 N/A GLN 280.A N VAL 276.A O no hydrogen 2.892 N/A GLN 280.A NE2 TYR 247.A OH no hydrogen 3.003 N/A LEU 281.A N PRO 277.A O no hydrogen 2.890 N/A GLY 282.A N GLN 278.A O no hydrogen 3.084 N/A PHE 283.A N GLY 279.A O no hydrogen 2.935 N/A TYR 284.A N GLN 280.A O no hydrogen 2.865 N/A ASN 285.A N LEU 281.A O no hydrogen 3.213 N/A ALA 286.A N GLY 282.A O no hydrogen 2.959 N/A VAL 287.A N PHE 283.A O no hydrogen 3.029 N/A ALA 288.A N PHE 283.A O no hydrogen 3.151 N/A ILE 289.A N TYR 284.A O no hydrogen 2.750 N/A CYS 291.A N VAL 287.A O no hydrogen 3.083 N/A TYR 292.A N ALA 288.A O no hydrogen 3.057 N/A TYR 292.A OH ALA 226.A O no hydrogen 2.655 N/A THR 293.A N ILE 289.A O no hydrogen 2.736 N/A THR 293.A OG1 ILE 289.A O no hydrogen 2.798 N/A THR 294.A N PRO 290.A O no hydrogen 3.038 N/A THR 294.A OG1 GLU 200.A OE1 no hydrogen 2.805 N/A THR 294.A OG1 PRO 290.A O no hydrogen 2.775 N/A LEU 295.A N CYS 291.A O no hydrogen 3.157 N/A THR 296.A N TYR 292.A O no hydrogen 3.178 N/A THR 296.A OG1 TYR 292.A O no hydrogen 2.909 N/A GLN 297.A N THR 293.A O no hydrogen 3.253 N/A ILE 298.A N THR 294.A O no hydrogen 3.113 N/A LEU 299.A N LEU 295.A O no hydrogen 2.634 N/A THR 302.A N LEU 299.A O no hydrogen 2.800 N/A THR 302.A OG1 LEU 299.A O no hydrogen 2.611 N/A GLU 303.A N PRO 300.A O no hydrogen 3.235 N/A LEU 305.A N THR 302.A O no hydrogen 3.072 N/A LEU 306.A N GLU 303.A O no hydrogen 3.052 N/A LYS 307.A N GLU 303.A O no hydrogen 3.117 N/A ALA 308.A N PRO 304.A O no hydrogen 3.092 N/A CYS 309.A N LEU 305.A O no hydrogen 3.209 N/A ARG 310.A N LEU 306.A O no hydrogen 2.926 N/A ASP 311.A N LYS 307.A O no hydrogen 3.006 N/A ASN 312.A N ALA 308.A O no hydrogen 3.051 N/A ASN 312.A ND2 VAL 232.A O no hydrogen 2.911 N/A ASN 312.A ND2 LYS 234.A O no hydrogen 2.929 N/A LEU 313.A N CYS 309.A O no hydrogen 2.921 N/A SER 314.A N ARG 310.A O no hydrogen 3.146 N/A SER 314.A OG.B ARG 310.A O no hydrogen 2.734 N/A GLN 315.A N ASP 311.A O no hydrogen 3.321 N/A TRP 316.A N ASN 312.A O no hydrogen 3.074 N/A GLU 317.A N LEU 313.A O no hydrogen 3.089 N/A LYS 318.A N SER 314.A O no hydrogen 3.113 N/A VAL 319.A N GLN 315.A O no hydrogen 3.146 N/A ILE 320.A N TRP 316.A O no hydrogen 3.093 N/A ARG 321.A N GLU 317.A O no hydrogen 3.104 N/A ARG 321.A NE GLU 323.A OE2 no hydrogen 3.071 N/A ARG 321.A NH2 GLU 323.A OE1 no hydrogen 3.432 N/A ARG 321.A NH2 GLU 323.A OE2 no hydrogen 3.451 N/A GLY 322.A N VAL 319.A O no hydrogen 3.279 N/A GLU 323.A N LYS 318.A O no hydrogen 2.867 N/A TRP 328.A N ALA 326.A O no hydrogen 2.685 N/A