Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4di3_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N LEU 33.A O no hydrogen 3.009 N/A LEU 3.A N SER 35.A O no hydrogen 2.861 N/A LYS 4.A NZ PRO 59.A O no hydrogen 3.080 N/A ILE 5.A N LYS 37.A O no hydrogen 2.929 N/A ALA 6.A N GLY 62.A O no hydrogen 3.307 N/A SER 7.A N TYR 39.A O no hydrogen 2.771 N/A ALA 9.A N SER 7.A OG no hydrogen 3.026 N/A SER 13.A N PRO 10.A O no hydrogen 3.240 N/A SER 13.A OG PRO 10.A O no hydrogen 2.759 N/A TRP 15.A NE1 ASN 121.A O no hydrogen 2.998 N/A GLU 16.A N SER 13.A OG no hydrogen 2.743 N/A GLU 18.A N ILE 14.A O no hydrogen 3.205 N/A LEU 19.A N TRP 15.A O no hydrogen 3.015 N/A LYS 20.A N GLU 16.A O no hydrogen 2.901 N/A LYS 21.A N THR 17.A O no hydrogen 2.901 N/A LYS 21.A NZ GLU 25.A OE1 no hydrogen 3.513 N/A LEU 22.A N GLU 18.A O no hydrogen 3.056 N/A LEU 22.A N LEU 19.A O no hydrogen 2.927 N/A SER 23.A N LEU 19.A O no hydrogen 2.923 N/A SER 23.A OG MET 36.A O no hydrogen 3.491 N/A ALA 24.A N LYS 20.A O no hydrogen 3.141 N/A GLU 25.A N LYS 21.A O no hydrogen 2.837 N/A TRP 26.A N LEU 22.A O no hydrogen 2.745 N/A TRP 26.A NE1 MET 230.A O no hydrogen 2.715 N/A SER 27.A N SER 23.A O no hydrogen 3.051 N/A GLU 28.A N ALA 24.A O no hydrogen 3.099 N/A ILE 29.A N GLU 25.A O no hydrogen 3.252 N/A THR 30.A N TRP 26.A O no hydrogen 3.061 N/A THR 30.A OG1 TRP 26.A O no hydrogen 3.097 N/A THR 30.A OG1 SER 27.A O no hydrogen 3.359 N/A GLY 32.A N SER 27.A O no hydrogen 2.885 N/A LEU 33.A N THR 30.A O no hydrogen 3.236 N/A VAL 34.A N THR 30.A OG1 no hydrogen 2.958 N/A SER 35.A N VAL 1.A O no hydrogen 3.303 N/A LYS 37.A N LEU 3.A O no hydrogen 3.017 N/A TYR 39.A N ILE 5.A O no hydrogen 2.957 N/A MET 41.A N SER 7.A O no hydrogen 2.875 N/A SER 42.A N ASP 40.A OD1 no hydrogen 2.904 N/A SER 42.A OG ASP 40.A OD1 no hydrogen 2.251 N/A LEU 44.A N ASP 40.A O no hydrogen 3.237 N/A GLY 45.A N SER 42.A O no hydrogen 3.013 N/A GLY 46.A N MET 41.A O no hydrogen 3.043 N/A GLY 50.A N GLY 46.A O no hydrogen 2.948 N/A ILE 51.A N GLU 47.A O no hydrogen 2.863 N/A ARG 52.A N ARG 48.A O no hydrogen 3.232 N/A LYS 53.A N GLY 50.A O no hydrogen 3.027 N/A LEU 54.A N ILE 51.A O no hydrogen 3.079 N/A SER 56.A OG LYS 55.A O no hydrogen 2.462 N/A LEU 60.A N LYS 53.A O no hydrogen 3.227 N/A ASP 61.A N LYS 4.A O no hydrogen 3.117 N/A ALA 63.A N LEU 213.A O no hydrogen 3.060 N/A VAL 64.A N ALA 6.A O no hydrogen 2.613 N/A PHE 65.A N GLY 211.A O no hydrogen 2.426 N/A SER 66.A N GLU 47.A OE2 no hydrogen 2.669 N/A SER 66.A OG GLU 47.A OE1 no hydrogen 3.042 N/A SER 66.A OG GLU 47.A OE2 no hydrogen 3.049 N/A CYS 67.A SG VAL 209.A O no hydrogen 3.416 N/A LEU 68.A N SER 66.A OG no hydrogen 3.268 N/A GLY 69.A N GLU 47.A OE2 no hydrogen 2.815 N/A LEU 70.A N SER 66.A O no hydrogen 2.917 N/A SER 71.A N CYS 67.A O no hydrogen 2.984 N/A SER 71.A OG CYS 67.A O no hydrogen 3.339 N/A SER 71.A OG LEU 68.A O no hydrogen 3.300 N/A GLU 72.A N LEU 68.A O no hydrogen 3.351 N/A LEU 73.A N GLY 69.A O no hydrogen 3.107 N/A LEU 73.A N LEU 70.A O no hydrogen 3.231 N/A ALA 74.A N LEU 70.A O no hydrogen 3.125 N/A THR 81.A N GLY 78.A O no hydrogen 2.636 N/A THR 81.A OG1 GLY 78.A O no hydrogen 2.919 N/A SER 83.A N TYR 80.A O no hydrogen 3.160 N/A SER 83.A OG PRO 207.A O no hydrogen 3.094 N/A VAL 84.A N THR 81.A O no hydrogen 3.296 N/A PHE 86.A N ILE 205.A O no hydrogen 2.748 N/A LEU 87.A N VAL 84.A O no hydrogen 3.112 N/A GLN 89.A NE2 LYS 204.A O no hydrogen 2.620 N/A GLU 91.A N GLU 91.A OE2 no hydrogen 2.594 N/A LYS 92.A N ASN 90.A OD1 no hydrogen 3.177 N/A LEU 94.A N ASN 90.A O no hydrogen 3.283 N/A GLU 95.A N GLU 91.A O no hydrogen 2.813 N/A ARG 96.A N LYS 92.A O no hydrogen 2.737 N/A VAL 97.A N ASP 93.A O no hydrogen 3.315 N/A VAL 97.A N LEU 94.A O no hydrogen 3.110 N/A LEU 98.A N LEU 94.A O no hydrogen 3.092 N/A GLU 100.A N ARG 96.A O no hydrogen 3.148 N/A LEU 101.A N VAL 97.A O no hydrogen 3.056 N/A ARG 102.A N HIS 99.A O no hydrogen 3.332 N/A ARG 102.A NE ASP 106.A OD1 no hydrogen 3.269 N/A ARG 102.A NE ASP 106.A OD2 no hydrogen 3.120 N/A ARG 102.A NH2 VAL 116.A O no hydrogen 2.942 N/A ARG 102.A NH2 ILE 117.A O no hydrogen 3.150 N/A LEU 105.A N LEU 101.A O no hydrogen 3.060 N/A ASP 106.A N ARG 102.A O no hydrogen 2.734 N/A ARG 107.A N GLU 103.A O no hydrogen 2.909 N/A ARG 110.A N ASP 106.A O no hydrogen 2.910 N/A ALA 111.A N ARG 107.A O no hydrogen 3.238 N/A ALA 112.A N PHE 109.A O no hydrogen 3.091 N/A GLY 113.A N ARG 110.A O no hydrogen 3.106 N/A PHE 114.A N PHE 109.A O no hydrogen 2.975 N/A ARG 115.A N ILE 214.A O no hydrogen 3.059 N/A ILE 117.A N MET 212.A O no hydrogen 2.884 N/A THR 118.A OG1 TRP 119.A O no hydrogen 3.020 N/A TRP 119.A NE1 ASP 106.A OD1 no hydrogen 3.086 N/A THR 120.A N ILE 210.A O no hydrogen 2.387 N/A ASN 121.A N THR 120.A OG1 no hydrogen 2.628 N/A ALA 122.A N ALA 208.A O no hydrogen 2.632 N/A GLY 123.A N ASN 121.A OD1 no hydrogen 3.176 N/A SER 126.A N SER 183.A O no hydrogen 2.916 N/A SER 126.A OG HIS 185.A NE2 no hydrogen 3.092 N/A SER 126.A OG LEU 201.A O no hydrogen 2.870 N/A TYR 128.A N PHE 181.A O no hydrogen 3.129 N/A THR 129.A N TYR 199.A O no hydrogen 2.953 N/A THR 129.A OG1 ALA 131.A O no hydrogen 2.299 N/A THR 129.A OG1 GLN 142.A OE1 no hydrogen 3.104 N/A ARG 130.A N ASP 179.A O no hydrogen 2.828 N/A ALA 131.A N THR 129.A OG1 no hydrogen 3.053 N/A ALA 134.A N GLN 138.A OE1 no hydrogen 2.777 N/A LEU 139.A N SER 135.A O no hydrogen 3.262 N/A LYS 140.A N LEU 136.A O no hydrogen 2.914 N/A LYS 140.A NZ CYS 157.A O no hydrogen 2.706 N/A LYS 141.A N GLY 137.A O no hydrogen 3.235 N/A GLN 142.A N LEU 139.A O no hydrogen 2.776 N/A GLN 142.A NE2 ALA 131.A O no hydrogen 3.624 N/A THR 143.A N ASP 179.A OD2 no hydrogen 2.740 N/A THR 143.A OG1 ASP 160.A OD1 no hydrogen 3.047 N/A ILE 144.A N ASP 160.A O no hydrogen 2.998 N/A ALA 145.A N GLY 180.A O no hydrogen 2.970 N/A LEU 146.A N LYS 162.A O no hydrogen 2.976 N/A LEU 150.A N SER 148.A OG no hydrogen 3.373 N/A THR 152.A N VAL 149.A O no hydrogen 3.316 N/A CYS 153.A SG LEU 150.A O no hydrogen 3.631 N/A ARG 155.A N GLY 151.A O no hydrogen 3.278 N/A CYS 157.A N PHE 154.A O no hydrogen 2.953 N/A CYS 157.A SG CYS 153.A O no hydrogen 3.659 N/A PHE 159.A N PHE 154.A O no hydrogen 3.422 N/A ASP 160.A N LYS 140.A O no hydrogen 3.216 N/A LYS 162.A N ILE 144.A O no hydrogen 3.209 N/A ARG 168.A N PRO 165.A O no hydrogen 3.253 N/A LEU 172.A N ARG 168.A O no hydrogen 2.780 N/A LEU 173.A N LEU 169.A O no hydrogen 2.903 N/A LYS 174.A N ALA 170.A O no hydrogen 3.302 N/A ALA 175.A N PRO 171.A O no hydrogen 2.981 N/A GLY 176.A N LEU 173.A O no hydrogen 2.804 N/A SER 177.A N LEU 172.A O no hydrogen 2.939 N/A SER 177.A OG LEU 172.A O no hydrogen 3.520 N/A ASP 179.A N THR 143.A O no hydrogen 2.812 N/A PHE 181.A N TYR 128.A O no hydrogen 2.867 N/A LEU 182.A N ALA 145.A O no hydrogen 3.144 N/A SER 183.A N SER 126.A O no hydrogen 3.277 N/A THR 188.A N VAL 184.A O no hydrogen 3.220 N/A TRP 189.A N HIS 185.A O no hydrogen 3.022 N/A ALA 190.A N LEU 186.A O no hydrogen 2.845 N/A THR 191.A N PHE 187.A O no hydrogen 2.910 N/A THR 191.A OG1 PHE 187.A O no hydrogen 2.930 N/A GLY 192.A N TRP 189.A O no hydrogen 3.111 N/A PHE 193.A N THR 191.A OG1 no hydrogen 3.235 N/A TYR 194.A N THR 188.A O no hydrogen 3.260 N/A TYR 196.A N PHE 193.A O no hydrogen 2.914 N/A ILE 197.A N TYR 194.A O no hydrogen 3.216 N/A SER 198.A OG ARG 130.A O no hydrogen 3.217 N/A TYR 199.A N THR 129.A O no hydrogen 2.840 N/A ALA 200.A N SER 262.A O no hydrogen 3.280 N/A LEU 201.A N PHE 127.A O no hydrogen 3.159 N/A ASP 202.A N VAL 264.A O no hydrogen 3.032 N/A LYS 204.A NZ GLU 246.A OE1 no hydrogen 3.229 N/A CYS 206.A SG SER 83.A O no hydrogen 3.364 N/A ALA 208.A N GLY 123.A O no hydrogen 3.305 N/A ILE 210.A N THR 120.A O no hydrogen 2.773 N/A MET 212.A N THR 118.A O no hydrogen 3.253 N/A LEU 213.A N ALA 63.A O no hydrogen 3.076 N/A ILE 214.A N ARG 115.A O no hydrogen 2.991 N/A ASP 216.A N GLY 113.A O no hydrogen 2.958 N/A SER 218.A N SER 215.A O no hydrogen 3.073 N/A TRP 219.A N SER 215.A O no hydrogen 3.138 N/A ALA 220.A N ASP 216.A O no hydrogen 3.324 N/A ARG 221.A N SER 218.A O no hydrogen 3.197 N/A ILE 222.A N TRP 219.A O no hydrogen 3.314 N/A HIS 227.A N SER 224.A O no hydrogen 3.297 N/A MET 230.A N TYR 226.A O no hydrogen 2.994 N/A LEU 231.A N HIS 227.A O no hydrogen 2.876 N/A GLN 232.A N ASP 228.A O no hydrogen 3.063 N/A ALA 233.A N ALA 229.A O no hydrogen 3.388 N/A ALA 234.A N MET 230.A O no hydrogen 3.358 N/A THR 235.A N LEU 231.A O no hydrogen 3.274 N/A THR 235.A OG1 LEU 231.A O no hydrogen 3.155 N/A ARG 236.A N GLN 232.A O no hydrogen 2.933 N/A ARG 236.A NE GLU 25.A OE2 no hydrogen 3.338 N/A ARG 236.A NH2 GLU 25.A OE2 no hydrogen 3.453 N/A VAL 237.A N ALA 233.A O no hydrogen 3.242 N/A ARG 238.A N ALA 234.A O no hydrogen 3.145 N/A ARG 238.A NE GLU 95.A OE1 no hydrogen 3.267 N/A ARG 238.A NE GLU 95.A OE2 no hydrogen 3.431 N/A ARG 238.A NH2 GLU 95.A OE2 no hydrogen 3.120 N/A GLN 239.A N THR 235.A O no hydrogen 3.378 N/A ARG 240.A N ARG 236.A O no hydrogen 3.132 N/A ARG 240.A NE GLU 18.A OE1 no hydrogen 2.508 N/A LEU 241.A N VAL 237.A O no hydrogen 2.837 N/A ALA 242.A N ARG 238.A O no hydrogen 2.833 N/A ASN 243.A N GLN 239.A O no hydrogen 3.051 N/A ASN 244.A N ARG 240.A O no hydrogen 2.823 N/A LEU 245.A N LEU 241.A O no hydrogen 2.881 N/A GLU 246.A N ALA 242.A O no hydrogen 3.233 N/A THR 247.A N ASN 243.A O no hydrogen 2.836 N/A THR 247.A OG1 ASN 243.A O no hydrogen 3.251 N/A LEU 248.A N ASN 244.A O no hydrogen 2.551 N/A ASP 249.A N LEU 245.A O no hydrogen 2.767 N/A ARG 250.A N GLU 246.A O no hydrogen 2.926 N/A ARG 250.A NH1 GLU 246.A OE2 no hydrogen 3.565 N/A GLU 251.A N THR 247.A O no hydrogen 3.166 N/A CYS 252.A N LEU 248.A O no hydrogen 3.015 N/A CYS 252.A SG HIS 185.A O no hydrogen 4.028 N/A CYS 252.A SG LEU 248.A O no hydrogen 3.661 N/A SER 253.A N ASP 249.A O no hydrogen 3.033 N/A SER 253.A OG ASP 202.A OD1 no hydrogen 2.603 N/A ASN 254.A N GLU 251.A O no hydrogen 2.911 N/A ASN 255.A N GLU 251.A O no hydrogen 2.840 N/A ILE 256.A N CYS 252.A O no hydrogen 3.114 N/A LYS 258.A N ASN 254.A O no hydrogen 2.975 N/A ALA 259.A N ASN 255.A O no hydrogen 2.927 N/A GLY 260.A N GLN 257.A O no hydrogen 2.972 N/A SER 262.A N SER 198.A O no hydrogen 3.080 N/A SER 262.A OG SER 198.A O no hydrogen 3.427 N/A VAL 264.A N ALA 200.A O no hydrogen 2.994 N/A LEU 266.A N THR 203.A OG1 no hydrogen 2.481 N/A THR 267.A N GLU 270.A OE1 no hydrogen 3.450 N/A ILE 271.A N THR 267.A O no hydrogen 3.189 N/A GLN 272.A N PRO 268.A O no hydrogen 3.398 N/A GLU 273.A N GLN 269.A O no hydrogen 2.873 N/A TRP 274.A N GLU 270.A O no hydrogen 2.640 N/A ARG 275.A N ILE 271.A O no hydrogen 3.299 N/A ARG 275.A NH1 PHE 86.A O no hydrogen 3.004 N/A ARG 275.A NH2 GLN 272.A OE1 no hydrogen 2.850 N/A THR 276.A N GLN 272.A O no hydrogen 3.383 N/A THR 276.A OG1 GLN 272.A O no hydrogen 2.890 N/A GLU 277.A N TRP 274.A O no hydrogen 2.640 N/A PHE 278.A N TRP 274.A O no hydrogen 3.113 N/A ALA 279.A N ARG 275.A O no hydrogen 2.809 N/A ASP 281.A N PHE 278.A O no hydrogen 2.511 N/A VAL 282.A N ALA 279.A O no hydrogen 3.359 N/A LYS 283.A N ALA 279.A O no hydrogen 3.522 N/A ILE 285.A N VAL 282.A O no hydrogen 3.010 N/A GLN 286.A N VAL 282.A O no hydrogen 3.266 N/A ARG 288.A N ARG 284.A O no hydrogen 3.269 N/A LEU 289.A N ILE 285.A O no hydrogen 3.155 N/A ASN 294.A N THR 81.A OG1 no hydrogen 3.095 N/A THR 296.A N ASN 294.A OD1 no hydrogen 3.306 N/A THR 296.A OG1 ASN 294.A OD1 no hydrogen 3.087 N/A LEU 297.A N ASN 294.A OD1 no hydrogen 3.041 N/A GLU 299.A N MET 295.A O no hydrogen 3.420 N/A LYS 300.A N THR 296.A O no hydrogen 2.783 N/A LYS 300.A NZ ASP 104.A OD1 no hydrogen 2.276 N/A ILE 301.A N LEU 297.A O no hydrogen 3.040 N/A LYS 302.A N TYR 298.A O no hydrogen 3.321 N/A HIS 303.A N LYS 300.A O no hydrogen 3.043 N/A