Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kkj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N GLN 26.A O no hydrogen 2.690 N/A ALA 5.A N HIS 147.A O no hydrogen 2.997 N/A ILE 6.A N HIS 28.A O no hydrogen 2.998 N/A ILE 7.A N ILE 149.A O no hydrogen 2.824 N/A GLY 8.A N PHE 30.A O no hydrogen 2.735 N/A THR 9.A N ASP 31.A OD2 no hydrogen 2.873 N/A THR 9.A OG1 ASP 31.A OD2 no hydrogen 3.122 N/A LEU 14.A N GLY 10.A O no hydrogen 3.141 N/A SER 15.A N ALA 12.A O no hydrogen 2.849 N/A SER 15.A OG TRP 304.A O no hydrogen 2.668 N/A ALA 16.A N ALA 12.A O no hydrogen 2.925 N/A ALA 17.A N GLY 13.A O no hydrogen 2.832 N/A GLN 18.A N LEU 14.A O no hydrogen 3.199 N/A ALA 19.A N SER 15.A O no hydrogen 3.145 N/A LEU 20.A N ALA 16.A O no hydrogen 2.842 N/A THR 21.A N ALA 17.A O no hydrogen 2.929 N/A THR 21.A OG1 ALA 17.A O no hydrogen 3.266 N/A ALA 22.A N GLN 18.A O no hydrogen 2.634 N/A ALA 23.A N ALA 19.A O no hydrogen 3.085 N/A ALA 23.A N LEU 20.A O no hydrogen 3.221 N/A GLY 24.A N THR 21.A O no hydrogen 2.680 N/A HIS 25.A N LEU 20.A O no hydrogen 3.031 N/A HIS 25.A ND1 ALA 23.A O no hydrogen 3.115 N/A HIS 28.A N ILE 4.A O no hydrogen 2.859 N/A HIS 28.A NE2 SER 117.A OG no hydrogen 2.849 N/A LEU 29.A N PRO 115.A O no hydrogen 2.785 N/A PHE 30.A N ILE 6.A O no hydrogen 2.919 N/A ASP 31.A N SER 117.A O no hydrogen 2.952 N/A SER 33.A N ASP 31.A OD1 no hydrogen 2.849 N/A SER 33.A OG ASP 31.A OD1 no hydrogen 3.221 N/A GLY 37.A N THR 9.A O no hydrogen 2.770 N/A ARG 39.A NH1 ALA 270.A O no hydrogen 2.453 N/A ARG 39.A NH2 ASP 293.A OD1 no hydrogen 2.888 N/A SER 40.A OG SER 36.A O no hydrogen 3.563 N/A SER 40.A OG GLY 38.A O no hydrogen 3.185 N/A SER 41.A OG ASP 50.A OD1 no hydrogen 3.173 N/A LYS 42.A N LEU 49.A O no hydrogen 2.773 N/A LYS 42.A NZ SER 44.A OG no hydrogen 3.100 N/A SER 44.A N GLY 47.A O no hydrogen 3.038 N/A GLY 47.A N SER 44.A O no hydrogen 2.772 N/A LEU 49.A N LYS 42.A O no hydrogen 2.494 N/A ASP 50.A N ASN 208.A OD1 no hydrogen 3.296 N/A ALA 52.A N ARG 39.A O no hydrogen 3.065 N/A GLN 53.A NE2 ASP 50.A O no hydrogen 3.079 N/A GLN 53.A NE2 GLY 51.A O no hydrogen 2.990 N/A PHE 55.A N TRP 100.A O no hydrogen 2.832 N/A ARG 58.A N GLU 301.A OE1 no hydrogen 2.648 N/A ARG 61.A N ASP 59.A OD1 no hydrogen 2.621 N/A ARG 61.A NE ASP 59.A OD1 no hydrogen 3.302 N/A ARG 61.A NH2 ASP 59.A OD2 no hydrogen 2.692 N/A PHE 62.A N ASP 59.A OD1 no hydrogen 3.288 N/A ALA 63.A N ASP 59.A O no hydrogen 2.594 N/A THR 64.A N ARG 60.A O no hydrogen 2.804 N/A THR 64.A OG1 ARG 60.A O no hydrogen 2.760 N/A ALA 65.A N ARG 61.A O no hydrogen 2.951 N/A VAL 66.A N PHE 62.A O no hydrogen 2.993 N/A LYS 67.A N ALA 63.A O no hydrogen 2.889 N/A GLN 68.A N THR 64.A O no hydrogen 2.941 N/A TRP 69.A N ALA 65.A O no hydrogen 2.945 N/A GLN 70.A N VAL 66.A O no hydrogen 2.905 N/A ALA 71.A N LYS 67.A O no hydrogen 3.072 N/A GLN 72.A N GLN 68.A O no hydrogen 2.925 N/A GLY 73.A N GLN 70.A O no hydrogen 2.644 N/A HIS 74.A N TRP 69.A O no hydrogen 2.919 N/A ALA 76.A N VAL 101.A O no hydrogen 3.127 N/A TRP 78.A N ARG 99.A O no hydrogen 2.752 N/A TRP 78.A NE1 SER 210.A OG no hydrogen 3.170 N/A LEU 81.A N GLN 193.A OE1 no hydrogen 2.982 N/A TYR 83.A N GLY 194.A O no hydrogen 2.808 N/A HIS 86.A N GLY 88.A O no hydrogen 3.494 N/A ARG 89.A NH2 ASP 254.A OD1 no hydrogen 3.207 N/A LEU 90.A N ASN 84.A O no hydrogen 3.331 N/A SER 93.A OG PRO 92.A O no hydrogen 2.311 N/A GLN 97.A N PRO 94.A O no hydrogen 2.686 N/A TRP 100.A N PHE 55.A O no hydrogen 2.726 N/A VAL 101.A N ALA 76.A O no hydrogen 3.333 N/A LYS 103.A N HIS 74.A O no hydrogen 2.908 N/A LYS 103.A NZ GLU 213.A OE1 no hydrogen 2.523 N/A ALA 107.A N GLY 105.A O no hydrogen 2.773 N/A THR 109.A OG1 SER 106.A O no hydrogen 3.005 N/A ARG 110.A N SER 106.A O no hydrogen 3.069 N/A ALA 111.A N ALA 107.A O no hydrogen 3.087 N/A ARG 112.A NH1 SER 36.A OG no hydrogen 2.612 N/A GLY 113.A N ARG 110.A O no hydrogen 3.114 N/A SER 117.A N LEU 29.A O no hydrogen 2.574 N/A SER 117.A OG HIS 28.A NE2 no hydrogen 2.849 N/A SER 119.A N SER 33.A O no hydrogen 2.780 N/A CYS 120.A N ASP 31.A O no hydrogen 2.826 N/A CYS 120.A SG ASP 136.A OD2 no hydrogen 3.514 N/A CYS 120.A SG HIS 142.A NE2 no hydrogen 3.436 N/A THR 123.A N LEU 135.A O no hydrogen 2.847 N/A GLU 124.A N LEU 135.A O no hydrogen 3.191 N/A PHE 126.A N ASN 133.A O no hydrogen 3.079 N/A GLY 128.A N HIS 131.A O no hydrogen 3.025 N/A TRP 132.A N PHE 145.A O no hydrogen 2.821 N/A ASN 133.A N PHE 126.A O no hydrogen 2.804 N/A ASN 133.A ND2 ASN 141.A OD1 no hydrogen 3.200 N/A ASN 133.A ND2 HIS 142.A O no hydrogen 3.488 N/A LEU 134.A N HIS 142.A O no hydrogen 2.774 N/A LEU 135.A N GLU 124.A O no hydrogen 2.962 N/A ASP 136.A N GLN 140.A O no hydrogen 3.017 N/A ALA 137.A N ARG 121.A O no hydrogen 2.987 N/A GLU 138.A N ASP 136.A OD1 no hydrogen 2.972 N/A GLY 139.A N ASP 136.A O no hydrogen 2.894 N/A GLN 140.A N ASP 136.A OD1 no hydrogen 2.843 N/A HIS 142.A N LEU 134.A O no hydrogen 2.735 N/A HIS 142.A NE2 ASP 136.A OD2 no hydrogen 2.493 N/A PHE 145.A N TRP 132.A O no hydrogen 2.959 N/A SER 146.A N PRO 3.A O no hydrogen 2.906 N/A SER 146.A OG VAL 2.A O no hydrogen 3.450 N/A SER 146.A OG PRO 3.A O no hydrogen 3.185 N/A VAL 148.A N GLY 287.A O no hydrogen 3.027 N/A ILE 149.A N ALA 5.A O no hydrogen 2.610 N/A ILE 150.A N TYR 289.A O no hydrogen 2.768 N/A ALA 151.A N ILE 7.A O no hydrogen 2.794 N/A THR 152.A OG1 PRO 153.A O no hydrogen 3.244 N/A GLN 156.A N PRO 153.A O no hydrogen 2.832 N/A ALA 157.A N PRO 153.A O no hydrogen 2.936 N/A ALA 157.A N ALA 154.A O no hydrogen 2.832 N/A SER 158.A N ALA 154.A O no hydrogen 3.088 N/A LEU 160.A N ALA 157.A O no hydrogen 2.819 N/A LEU 161.A N SER 158.A O no hydrogen 3.276 N/A ALA 164.A N LEU 161.A O no hydrogen 2.887 N/A ALA 168.A N ALA 164.A O no hydrogen 2.812 N/A SER 169.A N PRO 165.A O no hydrogen 2.699 N/A VAL 171.A N LEU 167.A O no hydrogen 3.070 N/A ALA 172.A N ALA 168.A O no hydrogen 2.782 N/A GLY 173.A N VAL 170.A O no hydrogen 3.060 N/A VAL 174.A N VAL 171.A O no hydrogen 3.084 N/A ASP 176.A N ARG 271.A O no hydrogen 2.930 N/A THR 178.A N TRP 267.A O no hydrogen 2.938 N/A THR 178.A OG1 PRO 177.A O no hydrogen 2.878 N/A TRP 179.A N SER 230.A OG no hydrogen 3.253 N/A TRP 179.A NE1 ASN 233.A O no hydrogen 2.986 N/A ALA 180.A N HIS 265.A O no hydrogen 2.872 N/A VAL 181.A N LEU 223.A O no hydrogen 2.932 N/A ALA 182.A N LEU 263.A O no hydrogen 2.812 N/A LEU 183.A N TRP 221.A O no hydrogen 3.051 N/A ALA 184.A N PHE 261.A O no hydrogen 3.065 N/A PHE 185.A N ASP 219.A O no hydrogen 2.757 N/A LEU 189.A N ASP 219.A OD2 no hydrogen 2.986 N/A GLN 190.A NE2 PRO 188.A O no hydrogen 2.888 N/A THR 191.A N LEU 189.A O no hydrogen 2.800 N/A CYS 195.A N LEU 205.A O no hydrogen 2.829 N/A CYS 195.A SG PHE 196.A O no hydrogen 3.916 N/A PHE 196.A N TYR 83.A O no hydrogen 2.969 N/A VAL 197.A N ASP 203.A O no hydrogen 3.036 N/A LEU 202.A N SER 200.A OG no hydrogen 3.312 N/A ASP 203.A N HIS 224.A O no hydrogen 2.769 N/A TRP 204.A N HIS 224.A O no hydrogen 3.162 N/A TRP 204.A NE1 GLN 53.A OE1 no hydrogen 3.187 N/A LEU 205.A N CYS 195.A O no hydrogen 3.175 N/A ALA 206.A N ILE 222.A O no hydrogen 3.136 N/A ARG 207.A N GLN 193.A O no hydrogen 2.958 N/A ARG 207.A NE ASP 219.A OD1 no hydrogen 2.919 N/A ARG 207.A NH1 THR 191.A O no hydrogen 2.775 N/A ARG 207.A NH2 LEU 189.A O no hydrogen 3.106 N/A ARG 207.A NH2 ASP 219.A OD1 no hydrogen 3.257 N/A ASN 208.A N THR 220.A O no hydrogen 2.820 N/A ASN 208.A ND2 ALA 48.A O no hydrogen 3.415 N/A SER 210.A N ARG 207.A O no hydrogen 3.040 N/A SER 210.A OG ARG 207.A O no hydrogen 2.670 N/A LYS 211.A N ASN 208.A O no hydrogen 3.184 N/A LYS 211.A NZ GLN 53.A O no hydrogen 3.064 N/A LYS 211.A NZ ASN 208.A OD1 no hydrogen 3.517 N/A ARG 214.A N LYS 211.A O no hydrogen 3.160 N/A ARG 214.A NE ASP 50.A OD1 no hydrogen 3.368 N/A ARG 214.A NH1 GLY 102.A O no hydrogen 3.408 N/A ARG 214.A NH2 ASP 50.A OD2 no hydrogen 3.284 N/A ARG 214.A NH2 GLY 102.A O no hydrogen 3.181 N/A THR 217.A OG1 ASP 215.A OD1 no hydrogen 2.667 N/A THR 217.A OG1 ASP 215.A OD2 no hydrogen 3.436 N/A ASP 219.A N PHE 185.A O no hydrogen 3.113 N/A TRP 221.A N LEU 183.A O no hydrogen 2.866 N/A TRP 221.A NE1 ASP 219.A OD2 no hydrogen 3.017 N/A ILE 222.A N ALA 206.A O no hydrogen 2.934 N/A LEU 223.A N VAL 181.A O no hydrogen 2.665 N/A HIS 224.A N TRP 204.A O no hydrogen 2.845 N/A ALA 225.A N TRP 179.A O no hydrogen 2.901 N/A THR 226.A N PRO 201.A O no hydrogen 2.613 N/A THR 226.A OG1 GLN 228.A OE1 no hydrogen 2.621 N/A SER 230.A N THR 226.A O no hydrogen 2.948 N/A SER 230.A OG THR 226.A O no hydrogen 2.496 N/A ARG 231.A N SER 227.A O no hydrogen 2.715 N/A ARG 231.A NE ASP 176.A OD1 no hydrogen 3.438 N/A ARG 231.A NH2 ASP 176.A OD1 no hydrogen 2.862 N/A GLN 232.A N GLN 228.A O no hydrogen 2.785 N/A ASN 233.A N TRP 229.A O no hydrogen 2.676 N/A ASN 233.A ND2 TRP 229.A O no hydrogen 3.076 N/A LEU 234.A N ARG 231.A O no hydrogen 3.373 N/A ALA 236.A N ASN 233.A O no hydrogen 3.009 N/A SER 237.A N GLN 240.A OE1 no hydrogen 2.687 N/A SER 237.A OG GLN 240.A OE1 no hydrogen 3.160 N/A GLN 240.A N SER 237.A OG no hydrogen 3.263 N/A VAL 241.A N SER 237.A O no hydrogen 2.998 N/A ILE 242.A N ARG 238.A O no hydrogen 2.673 N/A GLU 243.A N GLU 239.A O no hydrogen 2.660 N/A HIS 244.A N GLN 240.A O no hydrogen 2.794 N/A LEU 245.A N VAL 241.A O no hydrogen 2.914 N/A HIS 246.A N ILE 242.A O no hydrogen 3.258 N/A GLY 247.A N GLU 243.A O no hydrogen 3.010 N/A ALA 248.A N HIS 244.A O no hydrogen 2.842 N/A PHE 249.A N LEU 245.A O no hydrogen 3.084 N/A ALA 250.A N HIS 246.A O no hydrogen 3.007 N/A GLU 251.A N GLY 247.A O no hydrogen 2.954 N/A LEU 252.A N PHE 249.A O no hydrogen 2.694 N/A CYS 255.A SG GLN 190.A O no hydrogen 3.929 N/A CYS 255.A SG THR 256.A O no hydrogen 3.731 N/A VAL 260.A N ALA 184.A O no hydrogen 2.605 N/A LEU 263.A N ALA 182.A O no hydrogen 2.857 N/A HIS 265.A N ALA 180.A O no hydrogen 2.793 N/A ARG 266.A NH1 LEU 234.A O no hydrogen 3.011 N/A TRP 267.A N THR 178.A O no hydrogen 2.940 N/A ALA 270.A N ASP 176.A O no hydrogen 2.871 N/A ARG 271.A N ASP 176.A O no hydrogen 3.448 N/A ARG 271.A NE GLY 298.A O no hydrogen 3.262 N/A ARG 271.A NH2 GLY 298.A O no hydrogen 2.891 N/A ALA 273.A N LYS 175.A O no hydrogen 2.860 N/A HIS 276.A N LEU 296.A O no hydrogen 2.727 N/A GLY 279.A N CYS 295.A O no hydrogen 2.958 N/A LEU 281.A N VAL 290.A O no hydrogen 2.768 N/A ASP 283.A N ILE 288.A O no hydrogen 3.282 N/A LEU 286.A N ASP 283.A OD1 no hydrogen 3.217 N/A GLY 287.A N ASP 283.A O no hydrogen 2.963 N/A TYR 289.A N VAL 148.A O no hydrogen 2.892 N/A VAL 290.A N LEU 281.A O no hydrogen 2.718 N/A CYS 291.A N ILE 150.A O no hydrogen 2.953 N/A CYS 291.A SG ILE 150.A O no hydrogen 3.889 N/A GLY 292.A N SER 306.A OG no hydrogen 2.899 N/A TRP 294.A NE1 THR 152.A O no hydrogen 2.988 N/A CYS 295.A N GLY 292.A O no hydrogen 2.832 N/A LEU 296.A N ASP 293.A O no hydrogen 2.980 N/A GLY 298.A N ASP 293.A O no hydrogen 2.887 N/A ARG 299.A NH1 SER 297.A OG no hydrogen 3.254 N/A ARG 299.A NH2 THR 56.A OG1 no hydrogen 2.791 N/A ALA 303.A N ARG 299.A O no hydrogen 2.954 N/A TRP 304.A N VAL 300.A O no hydrogen 2.744 N/A LEU 305.A N GLU 301.A O no hydrogen 2.750 N/A SER 306.A N GLY 302.A O no hydrogen 2.871 N/A SER 306.A OG GLY 279.A O no hydrogen 2.522 N/A SER 306.A OG GLY 292.A O no hydrogen 3.177 N/A GLY 307.A N ALA 303.A O no hydrogen 3.231 N/A GLN 308.A N TRP 304.A O no hydrogen 3.309 N/A GLN 308.A NE2 SER 15.A OG no hydrogen 3.142 N/A GLU 309.A N LEU 305.A O no hydrogen 2.882 N/A ALA 310.A N SER 306.A O no hydrogen 3.074 N/A ALA 311.A N GLY 307.A O no hydrogen 2.895 N/A ARG 312.A N GLN 308.A O no hydrogen 2.685 N/A ARG 312.A NE GLU 309.A OE1 no hydrogen 3.000 N/A ARG 312.A NE GLU 309.A OE2 no hydrogen 3.498 N/A ARG 312.A NH1 GLU 316.A OE1 no hydrogen 2.716 N/A ARG 312.A NH2 GLU 309.A OE2 no hydrogen 3.347 N/A ARG 313.A N GLU 309.A O no hydrogen 2.830 N/A ARG 313.A NE GLU 309.A OE2 no hydrogen 2.997 N/A ARG 313.A NH1 SER 282.A OG no hydrogen 2.812 N/A LEU 314.A N ALA 310.A O no hydrogen 3.021 N/A LEU 315.A N ALA 311.A O no hydrogen 2.837 N/A GLU 316.A N ARG 312.A O no hydrogen 3.037 N/A HIS 317.A N ARG 313.A O no hydrogen 2.976 N/A LEU 318.A N LEU 315.A O no hydrogen 2.923 N/A GLN 319.A N GLU 316.A O no hydrogen 3.391 N/A GLN 319.A NE2 LEU 315.A O no hydrogen 3.672 N/A