Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jjk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N PHE 177.A O no hydrogen 2.757 N/A ARG 7.A N THR 4.A OG1 no hydrogen 3.200 N/A ARG 7.A NH1 VAL 2.A O no hydrogen 3.002 N/A PHE 8.A N THR 4.A O no hydrogen 2.972 N/A VAL 9.A N LEU 5.A O no hydrogen 3.005 N/A MET 10.A N THR 6.A O no hydrogen 3.252 N/A GLU 11.A N ARG 7.A O no hydrogen 3.008 N/A GLU 12.A N PHE 8.A O no hydrogen 2.990 N/A GLY 13.A N VAL 9.A O no hydrogen 2.887 N/A ARG 14.A N MET 10.A O no hydrogen 3.076 N/A LYS 15.A N GLU 11.A O no hydrogen 3.135 N/A ALA 16.A N GLU 12.A O no hydrogen 2.947 N/A ARG 17.A N ARG 14.A O no hydrogen 3.161 N/A GLY 18.A N GLY 13.A O no hydrogen 2.771 N/A GLU 21.A N THR 19.A OG1 no hydrogen 3.415 N/A GLN 24.A N GLY 20.A O no hydrogen 2.906 N/A LEU 25.A N GLU 21.A O no hydrogen 3.000 N/A LEU 26.A N LEU 22.A O no hydrogen 2.911 N/A ASN 27.A N THR 23.A O no hydrogen 2.698 N/A SER 28.A N GLN 24.A O no hydrogen 2.885 N/A SER 28.A OG GLN 24.A O no hydrogen 2.984 N/A SER 28.A OG MET 68.A O no hydrogen 3.433 N/A LEU 29.A N LEU 25.A O no hydrogen 2.943 N/A CYS 30.A N LEU 26.A O no hydrogen 2.828 N/A THR 31.A N ASN 27.A O no hydrogen 3.104 N/A THR 31.A OG1 ASN 27.A O no hydrogen 3.223 N/A ALA 32.A N SER 28.A O no hydrogen 3.223 N/A VAL 33.A N LEU 29.A O no hydrogen 3.017 N/A LYS 34.A N CYS 30.A O no hydrogen 2.985 N/A LYS 34.A NZ GLY 175.A O no hydrogen 2.804 N/A ALA 35.A N THR 31.A O no hydrogen 3.127 N/A ILE 36.A N ALA 32.A O no hydrogen 2.696 N/A SER 37.A N VAL 33.A O no hydrogen 2.813 N/A SER 37.A OG THR 155.A OG1 no hydrogen 2.809 N/A SER 38.A N LYS 34.A O no hydrogen 2.908 N/A ALA 39.A N ALA 35.A O no hydrogen 3.102 N/A VAL 40.A N ILE 36.A O no hydrogen 2.816 N/A ARG 41.A N SER 37.A O no hydrogen 2.861 N/A ARG 41.A NH1 GLY 152.A O no hydrogen 2.752 N/A ARG 41.A NH2 GLY 152.A O no hydrogen 2.654 N/A LYS 42.A N ALA 39.A O no hydrogen 2.878 N/A ALA 43.A N SER 38.A O no hydrogen 3.262 N/A ILE 45.A N LYS 42.A O no hydrogen 3.114 N/A HIS 47.A N GLY 44.A O no hydrogen 2.814 N/A TYR 49.A N ALA 46.A O no hydrogen 3.224 N/A ILE 51.A N ALA 46.A O no hydrogen 3.125 N/A GLY 53.A N GLY 50.A O no hydrogen 2.924 N/A LEU 60.A N LYS 56.A O no hydrogen 2.920 N/A SER 61.A N LEU 57.A O no hydrogen 2.865 N/A SER 61.A OG LEU 57.A O no hydrogen 2.880 N/A ASN 62.A N ASP 58.A O no hydrogen 3.109 N/A ASN 62.A ND2 ASP 83.A OD1 no hydrogen 3.241 N/A ASP 63.A N VAL 59.A O no hydrogen 3.025 N/A LEU 64.A N LEU 60.A O no hydrogen 2.948 N/A VAL 65.A N SER 61.A O no hydrogen 2.998 N/A MET 66.A N ASN 62.A O no hydrogen 2.915 N/A ASN 67.A N ASP 63.A O no hydrogen 2.961 N/A MET 68.A N LEU 64.A O no hydrogen 2.817 N/A LEU 69.A N VAL 65.A O no hydrogen 2.796 N/A LYS 70.A N MET 66.A O no hydrogen 2.837 N/A SER 71.A N ASN 67.A O no hydrogen 3.142 N/A SER 71.A OG ASN 67.A O no hydrogen 2.978 N/A SER 71.A OG MET 68.A O no hydrogen 3.254 N/A SER 72.A N LEU 69.A O no hydrogen 3.341 N/A SER 72.A OG LEU 69.A O no hydrogen 2.664 N/A ALA 74.A N SER 72.A OG no hydrogen 3.053 N/A THR 75.A OG1 LEU 69.A O no hydrogen 3.224 N/A CYS 76.A N TYR 97.A O no hydrogen 2.875 N/A CYS 76.A SG TYR 97.A O no hydrogen 3.668 N/A LEU 78.A N ILE 87.A O no hydrogen 2.959 N/A VAL 79.A N VAL 99.A O no hydrogen 2.833 N/A SER 80.A OG ASN 62.A OD1 no hydrogen 2.454 N/A GLU 81.A N PHE 101.A O no hydrogen 3.207 N/A GLU 82.A N SER 80.A OG no hydrogen 3.084 N/A ASP 83.A N SER 80.A O no hydrogen 3.121 N/A HIS 85.A ND1 GLU 133.A OE1 no hydrogen 3.224 N/A ALA 86.A N GLU 133.A OE1 no hydrogen 2.849 N/A ILE 87.A N LEU 78.A O no hydrogen 2.733 N/A VAL 89.A N CYS 76.A O no hydrogen 2.838 N/A LYS 93.A N GLU 90.A O no hydrogen 2.775 N/A ARG 94.A N PRO 91.A O no hydrogen 3.227 N/A ARG 94.A NE VAL 89.A O no hydrogen 2.713 N/A ARG 94.A NH2 VAL 89.A O no hydrogen 3.346 N/A GLY 95.A N THR 75.A O no hydrogen 2.701 N/A LYS 96.A N GLU 21.A OE2 no hydrogen 3.131 N/A LYS 96.A NZ GLU 21.A OE1 no hydrogen 3.130 N/A LYS 96.A NZ TYR 97.A OH no hydrogen 3.397 N/A TYR 97.A N ALA 74.A O no hydrogen 3.059 N/A VAL 98.A N TYR 123.A O no hydrogen 2.643 N/A VAL 99.A N VAL 77.A O no hydrogen 2.937 N/A CYS 100.A N GLY 121.A O no hydrogen 2.972 N/A PHE 101.A N VAL 79.A O no hydrogen 2.862 N/A ASP 102.A N ILE 119.A O no hydrogen 2.888 N/A SER 107.A N LEU 104.A O no hydrogen 3.228 N/A SER 107.A OG LEU 104.A O no hydrogen 2.971 N/A SER 108.A OG ASN 109.A OD1 no hydrogen 3.298 N/A ILE 110.A N SER 107.A O no hydrogen 3.293 N/A CYS 112.A N ASN 109.A O no hydrogen 2.879 N/A CYS 112.A SG ASN 109.A O no hydrogen 3.209 N/A LEU 113.A N ILE 110.A O no hydrogen 2.861 N/A VAL 116.A N TYR 151.A O no hydrogen 3.325 N/A GLY 117.A N ASP 105.A O no hydrogen 3.122 N/A THR 118.A N ALA 149.A O no hydrogen 2.878 N/A THR 118.A OG1 PRO 103.A O no hydrogen 2.612 N/A THR 118.A OG1 TYR 151.A OH no hydrogen 2.641 N/A ILE 119.A N ASP 102.A O no hydrogen 2.881 N/A PHE 120.A N GLY 147.A O no hydrogen 2.841 N/A GLY 121.A N CYS 100.A O no hydrogen 2.795 N/A ILE 122.A N ALA 145.A O no hydrogen 2.773 N/A TYR 123.A N VAL 98.A O no hydrogen 2.809 N/A LYS 125.A N LYS 96.A O no hydrogen 2.942 N/A LYS 125.A NZ SER 127.A O no hydrogen 3.327 N/A LYS 125.A NZ SER 127.A OG no hydrogen 2.776 N/A LYS 125.A NZ ASP 129.A O no hydrogen 2.921 N/A LYS 125.A NZ ASP 135.A OD1 no hydrogen 2.957 N/A LYS 125.A NZ ASP 135.A OD2 no hydrogen 3.248 N/A SER 132.A N ASP 135.A OD2 no hydrogen 2.754 N/A LYS 134.A N SER 132.A OG no hydrogen 3.349 N/A ASP 135.A N SER 132.A O no hydrogen 3.308 N/A ALA 136.A N GLU 133.A O no hydrogen 3.202 N/A LEU 137.A N LYS 134.A O no hydrogen 2.951 N/A GLN 138.A NE2 ARG 124.A O no hydrogen 3.061 N/A GLN 138.A NE2 ASP 135.A O no hydrogen 3.029 N/A ARG 141.A N LEU 287.A O no hydrogen 2.987 N/A ARG 141.A NE ASP 288.A OD1 no hydrogen 2.697 N/A ARG 141.A NE ASP 288.A OD2 no hydrogen 3.469 N/A ARG 141.A NH1 GLU 273.A OE1 no hydrogen 2.727 N/A ARG 141.A NH2 ASP 288.A OD2 no hydrogen 3.160 N/A ASN 142.A N PRO 139.A O no hydrogen 2.995 N/A ASN 142.A ND2 GLN 138.A OE1 no hydrogen 3.095 N/A LEU 143.A N GLY 140.A O no hydrogen 2.927 N/A VAL 144.A N ILE 122.A O no hydrogen 2.841 N/A ALA 146.A N ALA 160.A O no hydrogen 2.968 N/A GLY 147.A N PHE 120.A O no hydrogen 2.858 N/A TYR 148.A N VAL 158.A O no hydrogen 3.154 N/A TYR 148.A OH HIS 237.A ND1 no hydrogen 2.645 N/A ALA 149.A N THR 118.A O no hydrogen 2.697 N/A LEU 150.A N MET 156.A O no hydrogen 2.763 N/A TYR 151.A N VAL 116.A O no hydrogen 2.967 N/A TYR 151.A OH THR 118.A OG1 no hydrogen 2.641 N/A GLY 152.A N ALA 154.A O no hydrogen 3.108 N/A THR 155.A OG1 SER 37.A OG no hydrogen 2.809 N/A MET 156.A N LEU 150.A O no hydrogen 2.931 N/A LEU 157.A N PHE 168.A O no hydrogen 2.798 N/A VAL 158.A N TYR 148.A O no hydrogen 3.016 N/A LEU 159.A N ASN 166.A O no hydrogen 2.795 N/A ALA 160.A N ALA 146.A O no hydrogen 2.983 N/A MET 161.A N GLY 164.A O no hydrogen 3.131 N/A GLY 164.A N MET 161.A O no hydrogen 2.875 N/A ASN 166.A N LEU 159.A O no hydrogen 2.769 N/A CYS 167.A N ASP 181.A O no hydrogen 2.966 N/A PHE 168.A N LEU 157.A O no hydrogen 2.781 N/A MET 169.A N ILE 178.A O no hydrogen 2.747 N/A LEU 170.A N THR 155.A O no hydrogen 2.849 N/A ASP 171.A N GLU 176.A O no hydrogen 2.766 N/A ALA 173.A N ASP 171.A OD1 no hydrogen 3.145 N/A ILE 174.A N ASP 171.A O no hydrogen 3.309 N/A GLU 176.A N ASP 171.A O no hydrogen 3.442 N/A ILE 178.A N MET 169.A O no hydrogen 2.713 N/A LEU 179.A N ASN 3.A O no hydrogen 2.816 N/A VAL 180.A N CYS 167.A O no hydrogen 2.906 N/A ASP 181.A N CYS 167.A O no hydrogen 3.330 N/A VAL 184.A N VAL 165.A O no hydrogen 2.720 N/A LYS 185.A NZ LYS 274.A O no hydrogen 2.887 N/A ILE 186.A N ALA 275.A O no hydrogen 2.786 N/A LYS 187.A NZ TYR 242.A O no hydrogen 2.647 N/A LYS 188.A NZ ASP 306.A OD2 no hydrogen 3.485 N/A LYS 189.A NZ TYR 224.A OH no hydrogen 2.680 N/A GLY 190.A N ASP 307.A OD2 no hydrogen 2.730 N/A TYR 193.A N GLY 225.A O no hydrogen 3.054 N/A TYR 193.A OH GLU 197.A OE2 no hydrogen 2.532 N/A SER 194.A OG ARG 227.A O no hydrogen 2.579 N/A GLY 198.A N ASN 196.A OD1 no hydrogen 2.951 N/A TYR 199.A N ASN 196.A O no hydrogen 3.474 N/A ASP 202.A N TYR 199.A O no hydrogen 3.094 N/A PHE 203.A N ALA 200.A O no hydrogen 2.810 N/A ALA 206.A N ASP 204.A OD1 no hydrogen 3.051 N/A THR 208.A N ASP 204.A O no hydrogen 2.740 N/A THR 208.A OG1 ASP 204.A O no hydrogen 3.320 N/A GLU 209.A N PRO 205.A O no hydrogen 3.061 N/A TYR 210.A N ALA 206.A O no hydrogen 3.009 N/A ILE 211.A N VAL 207.A O no hydrogen 2.997 N/A GLN 212.A N THR 208.A O no hydrogen 3.007 N/A ARG 213.A N GLU 209.A O no hydrogen 2.959 N/A LYS 214.A N TYR 210.A O no hydrogen 3.022 N/A LYS 214.A NZ GLU 310.A OE1 no hydrogen 3.330 N/A LYS 214.A NZ GLU 310.A OE2 no hydrogen 3.043 N/A LYS 215.A N ILE 211.A O no hydrogen 2.903 N/A LYS 215.A NZ GLU 197.A OE1 no hydrogen 3.165 N/A PHE 216.A N GLN 212.A O no hydrogen 2.711 N/A SER 221.A N ASP 219.A OD1 no hydrogen 3.465 N/A SER 221.A OG ASP 219.A OD1 no hydrogen 2.688 N/A TYR 224.A N LYS 214.A O no hydrogen 3.025 N/A TYR 224.A OH ASP 307.A OD1 no hydrogen 2.620 N/A GLY 225.A N LYS 191.A O no hydrogen 2.882 N/A ARG 227.A N TYR 193.A O no hydrogen 3.283 N/A ARG 227.A NH1 ALA 226.A O no hydrogen 2.584 N/A VAL 229.A N ASP 235.A OD1 no hydrogen 2.625 N/A GLY 230.A N ASP 235.A OD2 no hydrogen 3.180 N/A SER 231.A OG SER 115.A O no hydrogen 2.476 N/A ASP 235.A N SER 231.A O no hydrogen 3.195 N/A VAL 236.A N MET 232.A O no hydrogen 2.914 N/A HIS 237.A N VAL 233.A O no hydrogen 2.945 N/A HIS 237.A ND1 TYR 148.A OH no hydrogen 2.645 N/A ARG 238.A N ALA 234.A O no hydrogen 2.970 N/A ARG 238.A NH1 ASP 235.A OD1 no hydrogen 2.918 N/A ARG 238.A NH2 SER 194.A OG no hydrogen 2.907 N/A ARG 238.A NH2 ASP 235.A OD1 no hydrogen 3.542 N/A THR 239.A N ASP 235.A O no hydrogen 2.855 N/A THR 239.A OG1 ASP 235.A O no hydrogen 2.707 N/A LEU 240.A N VAL 236.A O no hydrogen 2.922 N/A VAL 241.A N HIS 237.A O no hydrogen 3.117 N/A VAL 241.A N ARG 238.A O no hydrogen 3.234 N/A TYR 242.A N ARG 238.A O no hydrogen 2.880 N/A GLY 243.A N THR 239.A O no hydrogen 2.897 N/A GLY 244.A N SER 304.A OG no hydrogen 2.817 N/A ILE 245.A N ILE 192.A O no hydrogen 3.135 N/A PHE 246.A N LEU 302.A O no hydrogen 2.833 N/A LEU 247.A N SER 194.A O no hydrogen 2.586 N/A TYR 248.A N VAL 300.A O no hydrogen 2.726 N/A ASN 251.A N SER 254.A O no hydrogen 2.870 N/A ASN 251.A ND2 ASP 202.A O no hydrogen 3.217 N/A LYS 252.A NZ PHE 203.A O no hydrogen 3.182 N/A SER 254.A N ASN 251.A OD1 no hydrogen 2.614 N/A GLY 257.A N SER 254.A O no hydrogen 3.033 N/A ARG 260.A N GLU 264.A OE1 no hydrogen 2.822 N/A ARG 260.A NH1 HIS 295.A O no hydrogen 2.644 N/A LEU 261.A N GLN 296.A O no hydrogen 3.014 N/A TYR 263.A OH HIS 295.A ND1 no hydrogen 2.465 N/A GLU 264.A N ARG 260.A O no hydrogen 2.989 N/A CYS 265.A N ARG 260.A O no hydrogen 2.911 N/A CYS 265.A SG ARG 260.A O no hydrogen 3.578 N/A CYS 265.A SG ALA 298.A O no hydrogen 3.387 N/A ASN 266.A N LEU 261.A O no hydrogen 2.749 N/A ASN 266.A ND2 VAL 286.A O no hydrogen 3.470 N/A ALA 269.A N CYS 265.A O no hydrogen 2.844 N/A TYR 270.A N ASN 266.A O no hydrogen 2.829 N/A VAL 271.A N PRO 267.A O no hydrogen 2.885 N/A MET 272.A N MET 268.A O no hydrogen 2.735 N/A GLU 273.A N ALA 269.A O no hydrogen 2.873 N/A LYS 274.A N TYR 270.A O no hydrogen 3.015 N/A LYS 274.A NZ ASP 162.A OD1 no hydrogen 3.413 N/A ALA 275.A N VAL 271.A O no hydrogen 2.997 N/A ALA 275.A N MET 272.A O no hydrogen 3.076 N/A GLY 276.A N GLU 273.A O no hydrogen 2.799 N/A GLY 277.A N MET 272.A O no hydrogen 2.770 N/A MET 278.A N GLY 303.A O no hydrogen 2.953 N/A THR 280.A N ILE 301.A O no hydrogen 2.751 N/A THR 280.A OG1 GLU 284.A O no hydrogen 3.111 N/A THR 281.A N GLU 284.A O no hydrogen 2.949 N/A THR 281.A OG1 GLU 284.A O no hydrogen 3.326 N/A GLY 282.A N THR 280.A OG1 no hydrogen 2.692 N/A LYS 283.A N THR 281.A OG1 no hydrogen 3.008 N/A GLU 284.A N THR 281.A OG1 no hydrogen 3.033 N/A VAL 286.A N ALA 279.A O no hydrogen 3.211 N/A ASP 288.A N ALA 285.A O no hydrogen 2.859 N/A VAL 289.A N VAL 286.A O no hydrogen 3.150 N/A THR 292.A N GLN 296.A OE1 no hydrogen 2.774 N/A ASP 293.A N GLN 296.A OE1 no hydrogen 2.982 N/A HIS 295.A N ASP 293.A OD1 no hydrogen 2.902 N/A HIS 295.A ND1 TYR 263.A OH no hydrogen 2.465 N/A HIS 295.A NE2 ASP 83.A O no hydrogen 2.622 N/A GLN 296.A N ASP 293.A O no hydrogen 3.203 N/A ARG 297.A NH1 LYS 258.A O no hydrogen 2.690 N/A ALA 298.A N LEU 259.A O no hydrogen 2.953 N/A VAL 300.A N TYR 248.A O no hydrogen 3.118 N/A ILE 301.A N THR 280.A O no hydrogen 2.737 N/A LEU 302.A N PHE 246.A O no hydrogen 3.067 N/A GLY 303.A N MET 278.A O no hydrogen 2.961 N/A SER 304.A N GLY 244.A O no hydrogen 2.790 N/A SER 304.A OG LYS 187.A O no hydrogen 2.975 N/A SER 304.A OG GLY 244.A O no hydrogen 3.384 N/A ASP 306.A N LYS 188.A O no hydrogen 2.942 N/A VAL 308.A N SER 304.A O no hydrogen 3.021 N/A LEU 309.A N PRO 305.A O no hydrogen 2.924 N/A GLU 310.A N ASP 306.A O no hydrogen 2.997 N/A PHE 311.A N ASP 307.A O no hydrogen 3.087 N/A LEU 312.A N VAL 308.A O no hydrogen 2.850 N/A LYS 313.A N LEU 309.A O no hydrogen 2.876 N/A VAL 314.A N GLU 310.A O no hydrogen 3.155 N/A TYR 315.A N PHE 311.A O no hydrogen 2.818 N/A GLU 316.A N LEU 312.A O no hydrogen 2.731 N/A LYS 317.A N LYS 313.A O no hydrogen 3.086 N/A LYS 317.A N VAL 314.A O no hydrogen 3.151 N/A LYS 317.A NZ GLU 209.A OE2 no hydrogen 2.809 N/A HIS 318.A N VAL 314.A O no hydrogen 3.361 N/A HIS 318.A N TYR 315.A O no hydrogen 3.288 N/A HIS 318.A ND1 VAL 314.A O no hydrogen 2.801 N/A SER 319.A N GLU 316.A O no hydrogen 2.960 N/A ALA 320.A N TYR 315.A O no hydrogen 3.068 N/A