Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6niy_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N LEU 2.A O no hydrogen 2.969 N/A ARG 6.A NE ASP 3.A OD1 no hydrogen 3.278 N/A ARG 6.A NH2 ASP 3.A OD1 no hydrogen 2.406 N/A GLN 7.A N ASP 3.A O no hydrogen 3.043 N/A GLU 8.A N GLN 4.A O no hydrogen 3.126 N/A ALA 9.A N LEU 5.A O no hydrogen 2.901 N/A GLU 10.A N ARG 6.A O no hydrogen 2.775 N/A GLN 11.A N GLN 7.A O no hydrogen 2.745 N/A LEU 12.A N GLU 8.A O no hydrogen 2.928 N/A LYS 13.A N ALA 9.A O no hydrogen 2.677 N/A ASN 14.A N GLU 10.A O no hydrogen 2.844 N/A GLN 15.A N GLN 11.A O no hydrogen 3.173 N/A ILE 16.A N LEU 12.A O no hydrogen 3.279 N/A ARG 17.A N LYS 13.A O no hydrogen 3.128 N/A ASP 18.A N ASN 14.A O no hydrogen 3.162 N/A ARG 20.A N ILE 16.A O no hydrogen 2.876 N/A ARG 20.A NH2 THR 215.A O no hydrogen 2.889 N/A LYS 21.A N ARG 17.A O no hydrogen 3.249 N/A ALA 22.A N ASP 18.A O no hydrogen 3.012 N/A CYS 23.A N ALA 19.A O no hydrogen 2.892 N/A CYS 23.A SG ALA 19.A O no hydrogen 3.275 N/A ALA 24.A N ARG 20.A O no hydrogen 3.183 N/A GLN 30.A N THR 27.A O no hydrogen 3.292 N/A THR 32.A N LEU 28.A O no hydrogen 3.300 N/A THR 32.A OG1 LEU 28.A O no hydrogen 2.519 N/A ASN 33.A N SER 29.A O no hydrogen 3.007 N/A ILE 35.A N THR 32.A O no hydrogen 2.900 N/A ILE 41.A N ALA 299.A O no hydrogen 3.305 N/A ARG 44.A N ASN 334.A O no hydrogen 3.167 N/A ARG 46.A N ILE 332.A O no hydrogen 2.815 N/A ARG 46.A NE ARG 44.A O no hydrogen 2.956 N/A ARG 46.A NH2 ASN 334.A O no hydrogen 3.526 N/A ARG 47.A NE TYR 83.A O no hydrogen 3.225 N/A ARG 47.A NH1 ARG 46.A O no hydrogen 2.951 N/A ARG 47.A NH2 TYR 83.A O no hydrogen 3.393 N/A LEU 49.A N LEU 330.A O no hydrogen 2.695 N/A HIS 52.A NE2 SER 70.A OG no hydrogen 2.608 N/A ILE 56.A N SER 325.A O no hydrogen 3.251 N/A TYR 57.A N ALA 71.A O no hydrogen 3.086 N/A HIS 60.A N VAL 69.A O no hydrogen 2.861 N/A THR 63.A OG1 PRO 105.A O no hydrogen 2.402 N/A SER 65.A N GLY 62.A O no hydrogen 2.841 N/A SER 65.A OG ASP 64.A O no hydrogen 2.587 N/A ARG 66.A NE ASP 81.A OD1 no hydrogen 2.864 N/A ARG 66.A NH2 ASP 81.A OD2 no hydrogen 3.381 N/A LEU 68.A N TRP 80.A O no hydrogen 3.248 N/A VAL 69.A N HIS 60.A O no hydrogen 2.975 N/A SER 70.A N ILE 78.A O no hydrogen 3.005 N/A SER 70.A OG HIS 52.A NE2 no hydrogen 2.608 N/A ALA 71.A N ALA 58.A O no hydrogen 3.074 N/A SER 72.A N LYS 76.A O no hydrogen 3.405 N/A SER 72.A OG HIS 52.A ND1 no hydrogen 2.517 N/A SER 72.A OG ASP 74.A OD1 no hydrogen 2.330 N/A GLN 73.A N LYS 55.A O no hydrogen 3.250 N/A LEU 77.A N ILE 91.A O no hydrogen 2.927 N/A ILE 78.A N SER 70.A O no hydrogen 2.995 N/A ILE 79.A N HIS 89.A O no hydrogen 3.001 N/A TRP 80.A N LEU 68.A O no hydrogen 2.711 N/A TRP 80.A NE1 SER 70.A OG no hydrogen 3.117 N/A ASP 81.A N ASN 86.A O no hydrogen 2.844 N/A SER 82.A N ARG 66.A O no hydrogen 2.800 N/A SER 82.A OG ARG 66.A O no hydrogen 2.300 N/A THR 84.A OG1 ASP 81.A OD2 no hydrogen 2.818 N/A THR 85.A OG1 THR 85.A O no hydrogen 2.331 N/A VAL 88.A N ILE 79.A O no hydrogen 2.938 N/A ILE 91.A N LEU 77.A O no hydrogen 2.774 N/A LEU 93.A N GLY 75.A O no hydrogen 3.046 N/A SER 95.A OG TRP 97.A O no hydrogen 3.425 N/A MET 99.A N GLY 113.A O no hydrogen 3.111 N/A THR 100.A N GLY 113.A O no hydrogen 3.075 N/A THR 100.A OG1 CYS 101.A O no hydrogen 3.559 N/A CYS 101.A SG ALA 58.A O no hydrogen 3.267 N/A CYS 101.A SG VAL 69.A O no hydrogen 3.389 N/A ALA 102.A N ALA 111.A O no hydrogen 2.549 N/A ALA 104.A N TYR 109.A O no hydrogen 2.910 N/A SER 106.A OG ASP 148.A OD1 no hydrogen 2.707 N/A SER 106.A OG ASP 148.A OD2 no hydrogen 2.743 N/A GLY 107.A N ALA 104.A O no hydrogen 2.900 N/A VAL 110.A N TYR 122.A O no hydrogen 2.966 N/A ALA 111.A N ALA 102.A O no hydrogen 2.829 N/A CYS 112.A N SER 120.A O no hydrogen 3.335 N/A GLY 113.A N THR 100.A O no hydrogen 3.304 N/A LEU 115.A N TRP 97.A O no hydrogen 3.260 N/A ASN 117.A ND2 GLY 138.A O no hydrogen 2.795 N/A CYS 119.A N LEU 133.A O no hydrogen 3.203 N/A CYS 119.A SG SER 120.A O no hydrogen 3.987 N/A SER 120.A N CYS 112.A O no hydrogen 3.273 N/A ILE 121.A N ARG 131.A O no hydrogen 2.934 N/A TYR 122.A N VAL 110.A O no hydrogen 2.860 N/A ASN 123.A N ARG 128.A O no hydrogen 3.507 N/A LEU 124.A N ASN 108.A O no hydrogen 3.142 N/A LYS 125.A N ASN 123.A OD1 no hydrogen 3.496 N/A SER 130.A N ILE 121.A O no hydrogen 2.757 N/A SER 130.A OG ILE 121.A O no hydrogen 3.051 N/A LEU 133.A N CYS 119.A O no hydrogen 2.751 N/A HIS 136.A NE2 THR 153.A OG1 no hydrogen 2.914 N/A THR 137.A N ASP 157.A OD2 no hydrogen 2.865 N/A THR 137.A OG1 ASP 157.A OD2 no hydrogen 2.304 N/A LEU 140.A N GLY 114.A O no hydrogen 3.253 N/A SER 141.A N SER 154.A O no hydrogen 3.057 N/A SER 141.A OG SER 154.A O no hydrogen 2.896 N/A SER 141.A OG VAL 181.A O no hydrogen 2.977 N/A SER 141.A OG MET 182.A O no hydrogen 2.299 N/A CYS 142.A N SER 154.A O no hydrogen 3.287 N/A CYS 143.A SG ALA 111.A O no hydrogen 3.893 N/A ARG 144.A N VAL 152.A O no hydrogen 2.763 N/A LEU 146.A N GLN 150.A O no hydrogen 2.954 N/A ILE 151.A N TRP 163.A O no hydrogen 3.161 N/A VAL 152.A N ARG 144.A O no hydrogen 2.858 N/A THR 153.A N ALA 161.A O no hydrogen 2.948 N/A THR 153.A OG1 HIS 136.A NE2 no hydrogen 2.914 N/A SER 154.A N CYS 142.A O no hydrogen 2.777 N/A SER 155.A N THR 159.A O no hydrogen 3.302 N/A SER 155.A OG ASP 157.A OD1 no hydrogen 2.307 N/A SER 155.A OG THR 159.A O no hydrogen 2.678 N/A GLY 156.A N TYR 139.A O no hydrogen 2.566 N/A ASP 157.A N SER 155.A OG no hydrogen 3.282 N/A THR 158.A OG1 ASP 157.A O no hydrogen 2.568 N/A THR 159.A OG1 CYS 160.A O no hydrogen 3.098 N/A THR 159.A OG1 THR 173.A OG1 no hydrogen 3.190 N/A THR 159.A OG1 PHE 174.A O no hydrogen 3.152 N/A CYS 160.A SG SER 154.A OG no hydrogen 3.068 N/A ALA 161.A N THR 153.A O no hydrogen 2.911 N/A LEU 162.A N THR 172.A O no hydrogen 3.061 N/A TRP 163.A N ILE 151.A O no hydrogen 2.852 N/A TRP 163.A NE1 THR 153.A OG1 no hydrogen 2.908 N/A ASP 164.A N GLN 169.A O no hydrogen 3.209 N/A ILE 165.A N ASN 149.A O no hydrogen 3.019 N/A THR 167.A OG1 ASP 164.A O no hydrogen 3.547 N/A GLY 168.A N ASP 164.A O no hydrogen 3.038 N/A GLN 169.A N THR 167.A OG1 no hydrogen 3.235 N/A THR 171.A N LEU 162.A O no hydrogen 2.963 N/A THR 171.A OG1 THR 172.A OG1 no hydrogen 3.280 N/A THR 172.A OG1 THR 171.A OG1 no hydrogen 3.280 N/A THR 173.A OG1 THR 159.A OG1 no hydrogen 3.190 N/A PHE 174.A N CYS 160.A O no hydrogen 2.825 N/A HIS 177.A NE2 SER 195.A OG no hydrogen 2.500 N/A THR 178.A N ASP 199.A OD2 no hydrogen 2.593 N/A MET 182.A N GLY 196.A O no hydrogen 2.690 N/A SER 183.A N GLY 196.A O no hydrogen 3.306 N/A SER 185.A N VAL 194.A O no hydrogen 3.309 N/A ALA 187.A N LEU 192.A O no hydrogen 2.995 N/A THR 190.A N ALA 187.A O no hydrogen 3.032 N/A THR 190.A OG1 ALA 187.A O no hydrogen 3.544 N/A THR 190.A OG1 PRO 188.A O no hydrogen 3.516 N/A PHE 193.A N TRP 205.A O no hydrogen 3.051 N/A SER 195.A N LYS 203.A O no hydrogen 3.088 N/A SER 195.A OG HIS 177.A NE2 no hydrogen 2.500 N/A GLY 196.A N SER 183.A O no hydrogen 2.820 N/A ALA 197.A N SER 201.A O no hydrogen 3.309 N/A SER 201.A OG HIS 177.A ND1 no hydrogen 3.260 N/A ALA 202.A N PHE 216.A O no hydrogen 2.951 N/A LYS 203.A N SER 195.A O no hydrogen 3.139 N/A LEU 204.A N GLN 214.A O no hydrogen 2.859 N/A TRP 205.A N PHE 193.A O no hydrogen 3.260 N/A TRP 205.A NE1 SER 195.A OG no hydrogen 2.920 N/A ASP 206.A N ASP 206.A OD1 no hydrogen 2.511 N/A VAL 207.A N ARG 191.A O no hydrogen 2.953 N/A GLY 210.A N ASP 206.A O no hydrogen 3.181 N/A CYS 212.A SG GLN 214.A O no hydrogen 3.294 N/A CYS 212.A SG THR 215.A OG1 no hydrogen 3.276 N/A ARG 213.A N LEU 204.A O no hydrogen 2.621 N/A GLN 214.A N LEU 204.A O no hydrogen 3.419 N/A GLN 214.A NE2 LEU 249.A O no hydrogen 3.347 N/A PHE 216.A N ALA 202.A O no hydrogen 2.624 N/A HIS 219.A NE2 THR 237.A OG1 no hydrogen 2.601 N/A ASP 222.A N SER 221.A OG no hydrogen 2.687 N/A ILE 223.A N ALA 197.A O no hydrogen 3.058 N/A ASN 224.A N GLY 238.A O no hydrogen 2.617 N/A ASN 224.A ND2 ILE 267.A O no hydrogen 2.666 N/A ALA 225.A N GLY 238.A O no hydrogen 3.340 N/A CYS 227.A N ALA 236.A O no hydrogen 2.932 N/A CYS 227.A SG PHE 228.A O no hydrogen 3.740 N/A PHE 229.A N ALA 234.A O no hydrogen 2.727 N/A GLY 232.A N PHE 229.A O no hydrogen 3.217 N/A ASN 233.A N ASN 231.A OD1 no hydrogen 2.985 N/A PHE 235.A N PHE 247.A O no hydrogen 2.951 N/A ALA 236.A N CYS 227.A O no hydrogen 2.869 N/A THR 237.A N ARG 245.A O no hydrogen 3.038 N/A THR 237.A OG1 HIS 219.A NE2 no hydrogen 2.601 N/A GLY 238.A N ALA 225.A O no hydrogen 2.670 N/A ASP 240.A N ASP 222.A O no hydrogen 3.097 N/A THR 243.A OG1 ASP 241.A O no hydrogen 3.108 N/A THR 243.A OG1 ASP 241.A OD2 no hydrogen 3.148 N/A CYS 244.A N TYR 258.A O no hydrogen 3.208 N/A ARG 245.A N THR 237.A O no hydrogen 3.267 N/A ARG 245.A NH1 GLU 254.A OE1 no hydrogen 3.135 N/A ARG 245.A NH1 GLU 254.A OE2 no hydrogen 3.161 N/A LEU 246.A N MET 256.A O no hydrogen 3.100 N/A PHE 247.A N PHE 235.A O no hydrogen 2.856 N/A ASP 248.A N GLN 253.A O no hydrogen 3.020 N/A LEU 249.A N ASN 233.A O no hydrogen 2.589 N/A ARG 250.A N ASP 248.A OD1 no hydrogen 2.583 N/A ALA 251.A N ASP 248.A OD1 no hydrogen 3.216 N/A ASP 252.A N ASP 248.A O no hydrogen 3.117 N/A GLN 253.A NE2 ARG 20.A O no hydrogen 2.838 N/A LEU 255.A N LEU 246.A O no hydrogen 2.606 N/A MET 256.A N LEU 246.A O no hydrogen 3.416 N/A THR 257.A OG1 GLU 254.A OE2 no hydrogen 2.408 N/A TYR 258.A N CYS 244.A O no hydrogen 2.616 N/A TYR 258.A OH ALA 293.A O no hydrogen 2.297 N/A ILE 263.A N HIS 260.A O no hydrogen 2.969 N/A CYS 265.A SG ASP 285.A OD1 no hydrogen 3.249 N/A ILE 267.A N SER 239.A O no hydrogen 3.021 N/A THR 268.A N GLY 282.A O no hydrogen 2.859 N/A THR 268.A OG1 GLY 282.A O no hydrogen 3.568 N/A THR 268.A OG1 VAL 309.A O no hydrogen 2.429 N/A SER 269.A OG THR 268.A O no hydrogen 2.733 N/A SER 269.A OG SER 310.A O no hydrogen 2.373 N/A SER 271.A N LEU 280.A O no hydrogen 3.023 N/A SER 271.A OG VAL 270.A O no hydrogen 2.787 N/A SER 271.A OG LEU 312.A O no hydrogen 2.637 N/A SER 273.A N LEU 278.A O no hydrogen 3.173 N/A LYS 274.A NZ ASP 316.A O no hydrogen 2.711 N/A ARG 277.A NE ASP 292.A OD1 no hydrogen 2.564 N/A ARG 277.A NH2 ASP 36.A O no hydrogen 3.170 N/A ARG 277.A NH2 ASP 292.A OD2 no hydrogen 3.567 N/A LEU 279.A N TRP 291.A O no hydrogen 2.698 N/A LEU 280.A N SER 271.A O no hydrogen 2.954 N/A ALA 281.A N ASN 289.A O no hydrogen 3.100 N/A GLY 282.A N SER 269.A O no hydrogen 2.793 N/A TYR 283.A N ASN 287.A O no hydrogen 3.167 N/A CYS 288.A N LEU 302.A O no hydrogen 2.953 N/A VAL 290.A N GLY 300.A O no hydrogen 2.771 N/A TRP 291.A N LEU 279.A O no hydrogen 2.657 N/A TRP 291.A NE1 TYR 283.A OH no hydrogen 3.030 N/A ASP 292.A N ASP 297.A O no hydrogen 2.566 N/A ALA 293.A N ARG 277.A O no hydrogen 2.737 N/A LYS 295.A N ASP 292.A O no hydrogen 2.989 N/A LYS 295.A NZ ASN 33.A O no hydrogen 3.055 N/A LYS 295.A NZ ILE 35.A O no hydrogen 2.397 N/A ALA 296.A N ASP 292.A O no hydrogen 2.752 N/A ALA 299.A N VAL 290.A O no hydrogen 2.788 N/A GLY 300.A N VAL 290.A O no hydrogen 3.512 N/A LEU 302.A N CYS 288.A O no hydrogen 3.111 N/A HIS 305.A NE2 THR 323.A OG1 no hydrogen 2.604 N/A ARG 308.A N ASN 307.A OD1 no hydrogen 2.674 N/A SER 310.A N GLY 324.A O no hydrogen 2.849 N/A CYS 311.A N GLY 324.A O no hydrogen 3.363 N/A CYS 311.A SG MET 59.A O no hydrogen 3.279 N/A GLY 313.A N ALA 322.A O no hydrogen 3.193 N/A THR 315.A N ALA 320.A O no hydrogen 3.231 N/A THR 315.A OG1 ASP 317.A OD1 no hydrogen 2.322 N/A GLY 318.A N THR 315.A O no hydrogen 3.006 N/A MET 319.A N THR 315.A OG1 no hydrogen 3.141 N/A VAL 321.A N TRP 333.A O no hydrogen 2.990 N/A ALA 322.A N GLY 313.A O no hydrogen 2.871 N/A THR 323.A N LYS 331.A O no hydrogen 3.075 N/A THR 323.A OG1 HIS 305.A NE2 no hydrogen 2.604 N/A GLY 324.A N CYS 311.A O no hydrogen 2.984 N/A SER 325.A OG ARG 308.A O no hydrogen 2.960 N/A SER 325.A OG ASP 327.A OD1 no hydrogen 3.072 N/A TRP 326.A N ARG 308.A O no hydrogen 3.000 N/A TRP 326.A NE1 SER 310.A OG no hydrogen 2.528 N/A SER 328.A OG LEU 53.A O no hydrogen 3.151 N/A SER 328.A OG ALA 54.A O no hydrogen 2.359 N/A LEU 330.A N LEU 49.A O no hydrogen 3.232 N/A LYS 331.A N THR 323.A O no hydrogen 3.144 N/A LYS 331.A NZ GLY 304.A O no hydrogen 2.438 N/A ILE 332.A N ARG 47.A O no hydrogen 3.041 N/A TRP 333.A N VAL 321.A O no hydrogen 2.672 N/A TRP 333.A NE1 THR 323.A OG1 no hydrogen 3.140 N/A ASN 334.A N ARG 44.A O no hydrogen 3.166 N/A