Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2isi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 5.A OD1 no hydrogen 2.581 N/A GLN 9.A N ASP 255.A OD2 no hydrogen 3.196 N/A GLN 9.A NE2 THR 11.A O no hydrogen 3.593 N/A SER 12.A N LYS 16.A O no hydrogen 2.554 N/A SER 12.A OG SER 14.A OG no hydrogen 2.994 N/A SER 12.A OG LYS 16.A O no hydrogen 3.490 N/A SER 14.A N SER 12.A OG no hydrogen 3.222 N/A SER 14.A OG SER 12.A OG no hydrogen 2.994 N/A GLY 15.A N SER 12.A O no hydrogen 3.068 N/A LYS 16.A N SER 12.A OG no hydrogen 2.881 N/A LYS 16.A NZ LEU 276.A OXT no hydrogen 3.048 N/A ALA 18.A N LYS 10.A O no hydrogen 3.132 N/A THR 19.A N LEU 274.A O no hydrogen 2.787 N/A THR 19.A OG1 LEU 274.A O no hydrogen 3.444 N/A THR 19.A OG1 LEU 276.A OXT no hydrogen 3.016 N/A LEU 20.A N LEU 274.A O no hydrogen 3.134 N/A LYS 21.A N ASP 48.A OD2 no hydrogen 2.747 N/A LYS 21.A NZ GLU 45.A O no hydrogen 2.872 N/A LYS 21.A NZ GLU 45.A OE1 no hydrogen 3.090 N/A LYS 21.A NZ TYR 273.A OH no hydrogen 3.023 N/A ILE 22.A N LEU 272.A O no hydrogen 2.762 N/A CYS 23.A N ILE 49.A O no hydrogen 2.859 N/A CYS 23.A SG ILE 270.A O no hydrogen 3.916 N/A SER 24.A N ILE 270.A O no hydrogen 2.808 N/A SER 24.A OG GLN 53.A OE1 no hydrogen 3.447 N/A TRP 25.A N CYS 51.A O no hydrogen 3.049 N/A TRP 25.A NE1 HIS 267.A O no hydrogen 2.767 N/A VAL 27.A N GLN 53.A O no hydrogen 3.148 N/A GLY 29.A N GLU 54.A O no hydrogen 2.886 N/A LEU 30.A N THR 55.A O no hydrogen 2.859 N/A ARG 31.A NH1 LYS 61.A O no hydrogen 2.970 N/A TRP 33.A N GLY 29.A O no hydrogen 2.800 N/A ILE 34.A N LEU 30.A O no hydrogen 2.812 N/A LYS 35.A N ARG 31.A O no hydrogen 3.142 N/A LYS 36.A N ALA 32.A O no hydrogen 3.250 N/A LYS 36.A NZ TYR 227.A OH no hydrogen 3.421 N/A LYS 37.A N ILE 34.A O no hydrogen 2.798 N/A GLY 38.A N TRP 33.A O no hydrogen 3.198 N/A VAL 42.A N GLY 38.A O no hydrogen 3.193 N/A LYS 43.A N ASP 40.A O no hydrogen 2.906 N/A GLU 44.A N TRP 41.A O no hydrogen 2.956 N/A GLU 45.A N TRP 41.A O no hydrogen 3.113 N/A ALA 46.A N VAL 42.A O no hydrogen 3.032 N/A ASP 48.A N LYS 21.A O no hydrogen 2.719 N/A ILE 49.A N LYS 21.A O no hydrogen 3.452 N/A LEU 50.A N LEU 92.A O no hydrogen 2.785 N/A CYS 51.A N CYS 23.A O no hydrogen 2.839 N/A LEU 52.A N GLY 90.A O no hydrogen 2.777 N/A GLN 53.A N TRP 25.A O no hydrogen 2.984 N/A GLN 53.A NE2 SER 24.A OG no hydrogen 3.205 N/A GLN 53.A NE2 THR 127.A OG1 no hydrogen 3.231 N/A THR 55.A N GLY 88.A O no hydrogen 2.962 N/A LYS 56.A N SER 87.A O no hydrogen 2.836 N/A CYS 57.A SG SER 58.A O no hydrogen 3.207 N/A CYS 57.A SG LYS 61.A O no hydrogen 3.305 N/A SER 58.A N GLU 84.A OE1 no hydrogen 2.964 N/A LYS 61.A N SER 58.A OG no hydrogen 3.321 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.447 N/A SER 73.A N GLY 71.A O no hydrogen 2.930 N/A SER 73.A OG GLY 71.A O no hydrogen 3.397 N/A HIS 74.A N SER 93.A O no hydrogen 3.167 N/A GLN 75.A NE2 LEU 66.A O no hydrogen 3.427 N/A GLN 75.A NE2 LEU 72.A O no hydrogen 2.871 N/A SER 78.A N VAL 89.A O no hydrogen 2.977 N/A GLY 85.A N LYS 56.A O no hydrogen 3.321 N/A TYR 86.A OH GLU 112.A OE2 no hydrogen 2.670 N/A SER 87.A OG GLU 112.A O no hydrogen 3.013 N/A VAL 89.A N SER 78.A O no hydrogen 3.112 N/A GLY 90.A N LEU 52.A O no hydrogen 2.702 N/A LEU 91.A N TYR 76.A O no hydrogen 2.915 N/A LEU 92.A N LEU 50.A O no hydrogen 2.880 N/A SER 93.A N HIS 74.A O no hydrogen 2.749 N/A SER 93.A OG ASP 48.A O no hydrogen 3.499 N/A SER 93.A OG GLN 95.A O no hydrogen 2.710 N/A ARG 94.A N ASP 48.A O no hydrogen 2.736 N/A CYS 96.A SG PRO 97.A O no hydrogen 3.489 N/A LEU 98.A N GLU 119.A O no hydrogen 2.688 N/A SER 101.A N VAL 117.A O no hydrogen 3.003 N/A GLY 103.A N VAL 115.A O no hydrogen 2.862 N/A ILE 104.A N ASP 110.A OD1 no hydrogen 3.152 N/A ASP 106.A N ASP 110.A OD2 no hydrogen 2.975 N/A HIS 109.A N ASP 106.A O no hydrogen 2.674 N/A HIS 109.A ND1 TYR 142.A OH no hydrogen 3.320 N/A ARG 114.A NE GLU 112.A OE1 no hydrogen 3.268 N/A ARG 114.A NH1 TYR 129.A O no hydrogen 2.659 N/A ARG 114.A NH2 GLU 112.A OE1 no hydrogen 3.443 N/A ILE 116.A N THR 127.A O no hydrogen 3.175 N/A VAL 117.A N SER 101.A O no hydrogen 2.963 N/A ALA 118.A N LEU 125.A O no hydrogen 2.735 N/A GLU 119.A N LYS 99.A O no hydrogen 2.759 N/A PHE 120.A N PHE 123.A O no hydrogen 2.642 N/A PHE 123.A N PHE 120.A O no hydrogen 3.161 N/A VAL 124.A N PRO 162.A O no hydrogen 3.166 N/A LEU 125.A N ALA 118.A O no hydrogen 2.719 N/A VAL 126.A N VAL 164.A O no hydrogen 2.905 N/A THR 127.A N ILE 116.A O no hydrogen 3.004 N/A THR 127.A OG1 CYS 166.A O no hydrogen 3.413 N/A ALA 128.A N CYS 166.A O no hydrogen 3.045 N/A TYR 129.A N ARG 114.A O no hydrogen 3.003 N/A VAL 130.A N ASP 168.A O no hydrogen 2.951 N/A GLY 134.A N ASN 132.A OD1 no hydrogen 2.727 N/A LEU 137.A N GLY 134.A O no hydrogen 2.972 N/A VAL 138.A N ARG 135.A O no hydrogen 3.486 N/A ARG 139.A N ALA 133.A O no hydrogen 3.223 N/A ARG 139.A NH1 GLU 112.A OE1 no hydrogen 3.210 N/A ARG 139.A NH2 GLU 112.A OE1 no hydrogen 3.175 N/A ARG 139.A NH2 GLU 112.A OE2 no hydrogen 2.807 N/A LEU 140.A N LEU 137.A O no hydrogen 3.020 N/A TYR 142.A OH HIS 109.A ND1 no hydrogen 3.320 N/A ARG 143.A N ARG 139.A O no hydrogen 2.952 N/A ARG 143.A NE ASP 147.A OD1 no hydrogen 3.258 N/A ARG 143.A NH1 ASN 170.A O no hydrogen 3.142 N/A ARG 143.A NH2 ASN 170.A O no hydrogen 2.680 N/A GLN 144.A N LEU 140.A O no hydrogen 2.920 N/A ARG 145.A N GLU 141.A O no hydrogen 2.909 N/A ARG 145.A NH1 GLU 108.A OE1 no hydrogen 2.422 N/A ARG 145.A NH1 GLU 108.A OE2 no hydrogen 2.786 N/A TRP 146.A N TYR 142.A O no hydrogen 2.656 N/A ASP 147.A N ARG 143.A O no hydrogen 2.713 N/A ALA 149.A N ARG 145.A O no hydrogen 3.078 N/A PHE 150.A N TRP 146.A O no hydrogen 2.885 N/A ARG 151.A N ASP 147.A O no hydrogen 2.864 N/A LYS 152.A N GLU 148.A O no hydrogen 2.899 N/A PHE 153.A N ALA 149.A O no hydrogen 2.900 N/A LEU 154.A N PHE 150.A O no hydrogen 2.671 N/A LYS 155.A N ARG 151.A O no hydrogen 3.073 N/A GLY 156.A N LYS 152.A O no hydrogen 3.370 N/A GLY 156.A N PHE 153.A O no hydrogen 3.043 N/A LEU 157.A N PHE 153.A O no hydrogen 3.264 N/A ALA 158.A N LEU 154.A O no hydrogen 2.778 N/A SER 159.A N LYS 155.A O no hydrogen 3.111 N/A SER 159.A OG GLY 156.A O no hydrogen 3.005 N/A ARG 160.A N LEU 157.A O no hydrogen 3.025 N/A LYS 161.A NZ PHE 120.A O no hydrogen 2.790 N/A LYS 161.A NZ ASP 121.A O no hydrogen 3.053 N/A LEU 163.A N SER 246.A OG no hydrogen 2.644 N/A VAL 164.A N VAL 124.A O no hydrogen 3.299 N/A LEU 165.A N LEU 244.A O no hydrogen 2.742 N/A CYS 166.A N VAL 126.A O no hydrogen 3.034 N/A CYS 166.A SG VAL 126.A O no hydrogen 3.950 N/A GLY 167.A N TYR 242.A O no hydrogen 3.346 N/A ASP 168.A N ALA 128.A O no hydrogen 3.138 N/A LEU 169.A N LEU 240.A O no hydrogen 2.865 N/A ASN 170.A N ASP 168.A OD1 no hydrogen 3.023 N/A ASN 170.A ND2 VAL 130.A O no hydrogen 2.620 N/A ALA 172.A N GLY 189.A O no hydrogen 2.874 N/A HIS 173.A N TYR 242.A OH no hydrogen 3.107 N/A GLU 174.A N ASP 177.A OD2 no hydrogen 2.909 N/A ASP 177.A N GLU 174.A O no hydrogen 2.877 N/A ARG 179.A N GLY 237.A O no hydrogen 3.051 N/A ARG 179.A NH1 LYS 234.A O no hydrogen 3.161 N/A ARG 179.A NH1 ASN 235.A O no hydrogen 2.605 N/A GLY 183.A N ASN 180.A O no hydrogen 3.474 N/A ASN 184.A ND2 ASN 180.A O no hydrogen 2.799 N/A ASN 187.A N ASN 184.A O no hydrogen 3.047 N/A GLY 189.A N GLU 194.A OE1 no hydrogen 2.891 N/A PHE 190.A N ASN 187.A O no hydrogen 3.104 N/A THR 191.A N GLU 194.A OE1 no hydrogen 3.403 N/A THR 191.A OG1 GLU 194.A OE1 no hydrogen 2.614 N/A GLU 194.A N THR 191.A O no hydrogen 3.013 N/A GLU 194.A N THR 191.A OG1 no hydrogen 3.262 N/A ARG 195.A N THR 191.A O no hydrogen 2.866 N/A ARG 195.A NE HIS 173.A O no hydrogen 3.125 N/A GLN 196.A N PRO 192.A O no hydrogen 2.888 N/A GLY 197.A N GLU 194.A O no hydrogen 2.772 N/A PHE 198.A N GLU 194.A O no hydrogen 3.025 N/A PHE 198.A N ARG 195.A O no hydrogen 3.187 N/A GLY 199.A N ARG 195.A O no hydrogen 3.204 N/A LEU 201.A N PHE 198.A O no hydrogen 2.921 N/A LEU 202.A N PHE 198.A O no hydrogen 3.094 N/A GLN 203.A N GLY 199.A O no hydrogen 3.009 N/A ALA 204.A N LEU 201.A O no hydrogen 3.277 N/A VAL 205.A N LEU 201.A O no hydrogen 3.095 N/A LEU 207.A N LEU 202.A O no hydrogen 2.976 N/A ALA 208.A N LEU 245.A O no hydrogen 2.785 N/A SER 210.A N PHE 243.A O no hydrogen 3.218 N/A SER 210.A OG PHE 243.A O no hydrogen 2.644 N/A SER 210.A OG SER 256.A OG no hydrogen 3.016 N/A ARG 212.A NH1 THR 218.A O no hydrogen 2.457 N/A ARG 212.A NH2 ASP 177.A OD1 no hydrogen 3.376 N/A ARG 212.A NH2 THR 218.A O no hydrogen 3.218 N/A HIS 213.A N ASP 209.A O no hydrogen 2.762 N/A LEU 214.A N SER 210.A O no hydrogen 3.215 N/A TYR 215.A N PHE 211.A O no hydrogen 2.746 N/A TYR 215.A OH ASP 255.A OD1 no hydrogen 2.550 N/A TYR 215.A OH ASP 255.A OD2 no hydrogen 3.405 N/A THR 218.A N TYR 215.A O no hydrogen 3.293 N/A THR 223.A N TRP 238.A O no hydrogen 3.042 N/A THR 223.A OG1 TRP 238.A O no hydrogen 3.278 N/A THR 223.A OG1 ASP 241.A OD1 no hydrogen 3.211 N/A TRP 225.A N ASP 266.A O no hydrogen 3.018 N/A TRP 225.A NE1 ASN 235.A OD1 no hydrogen 3.150 N/A MET 228.A N THR 226.A OG1 no hydrogen 3.256 N/A ALA 231.A N MET 228.A O no hydrogen 3.302 N/A ARG 232.A NH2 SER 260.A O no hydrogen 2.929 N/A ARG 232.A NH2 ALA 262.A O no hydrogen 2.946 N/A SER 233.A OG ASN 230.A O no hydrogen 3.073 N/A LYS 234.A N ALA 231.A O no hydrogen 3.087 N/A ASN 235.A N ARG 232.A O no hydrogen 2.904 N/A ASN 235.A ND2 ALA 1.A O no hydrogen 2.897 N/A ASN 235.A ND2 TYR 220.A O no hydrogen 3.459 N/A VAL 236.A N ALA 231.A O no hydrogen 3.114 N/A TRP 238.A N PHE 224.A O no hydrogen 2.824 N/A ARG 239.A N ASP 177.A O no hydrogen 2.783 N/A ARG 239.A NE ASP 177.A OD1 no hydrogen 2.691 N/A ARG 239.A NH1 ASP 209.A OD1 no hydrogen 3.244 N/A ARG 239.A NH2 ASP 177.A OD1 no hydrogen 2.891 N/A ARG 239.A NH2 ASP 209.A OD1 no hydrogen 3.339 N/A ARG 239.A NH2 ASP 209.A OD2 no hydrogen 2.560 N/A LEU 240.A N THR 223.A OG1 no hydrogen 2.882 N/A ASP 241.A N THR 223.A OG1 no hydrogen 3.133 N/A TYR 242.A N GLY 167.A O no hydrogen 2.936 N/A TYR 242.A OH VAL 171.A O no hydrogen 2.619 N/A LEU 244.A N LEU 165.A O no hydrogen 3.106 N/A LEU 245.A N ALA 208.A O no hydrogen 3.052 N/A SER 246.A N LEU 163.A O no hydrogen 2.885 N/A SER 246.A OG LEU 163.A O no hydrogen 3.559 N/A LEU 249.A N SER 246.A O no hydrogen 2.801 N/A LEU 250.A N HIS 247.A O no hydrogen 3.393 N/A ALA 252.A N LEU 249.A O no hydrogen 2.902 N/A LEU 253.A N LEU 250.A O no hydrogen 2.793 N/A CYS 254.A N TYR 273.A O no hydrogen 3.079 N/A CYS 254.A SG ALA 252.A O no hydrogen 3.688 N/A SER 256.A OG SER 210.A OG no hydrogen 3.016 N/A LYS 257.A N THR 271.A O no hydrogen 2.721 N/A LYS 257.A NZ ASP 5.A OD1 no hydrogen 3.347 N/A LYS 257.A NZ PRO 6.A O no hydrogen 3.178 N/A LYS 257.A NZ ASP 255.A OD2 no hydrogen 3.069 N/A ILE 258.A N ASP 5.A OD1 no hydrogen 3.306 N/A ILE 258.A N ASP 5.A OD2 no hydrogen 3.416 N/A ARG 259.A N PRO 269.A O no hydrogen 3.096 N/A ARG 259.A NE GLU 45.A OE2 no hydrogen 2.641 N/A ARG 259.A NH1 ASP 8.A OD1 no hydrogen 3.002 N/A ARG 259.A NH2 ASP 8.A OD2 no hydrogen 3.140 N/A ARG 259.A NH2 GLU 45.A OE1 no hydrogen 3.054 N/A ARG 259.A NH2 GLU 45.A OE2 no hydrogen 3.099 N/A SER 260.A N ILE 258.A O no hydrogen 2.549 N/A SER 260.A OG ILE 258.A O no hydrogen 3.318 N/A ALA 262.A N ARG 259.A O no hydrogen 3.160 N/A SER 265.A OG ASN 26.A O no hydrogen 2.678 N/A SER 265.A OG ASP 266.A OD1 no hydrogen 3.204 N/A HIS 267.A N SER 265.A OG no hydrogen 3.206 N/A HIS 267.A ND1 ASP 241.A OD1 no hydrogen 2.763 N/A CYS 268.A N THR 223.A O no hydrogen 3.009 N/A CYS 268.A SG TYR 222.A O no hydrogen 3.651 N/A CYS 268.A SG PRO 269.A O no hydrogen 3.561 N/A ILE 270.A N SER 24.A O no hydrogen 2.968 N/A THR 271.A OG1 GLU 45.A OE2 no hydrogen 2.408 N/A LEU 272.A N ILE 22.A O no hydrogen 2.651 N/A TYR 273.A N ASP 255.A O no hydrogen 2.927 N/A TYR 273.A OH ASP 8.A OD2 no hydrogen 2.606 N/A LEU 274.A N LEU 20.A O no hydrogen 3.032 N/A ALA 275.A N ALA 252.A O no hydrogen 2.727 N/A LEU 276.A N THR 19.A OG1 no hydrogen 2.733 N/A