Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A ND2 SER 73.A OG no hydrogen 3.040 N/A ALA 7.A N ASN 5.A OD1 no hydrogen 3.379 N/A LEU 12.A N ILE 85.A O no hydrogen 2.898 N/A LYS 13.A N GLU 16.A OE1 no hydrogen 3.398 N/A GLU 16.A N LYS 13.A O no hydrogen 2.775 N/A LYS 18.A N LEU 35.A O no hydrogen 2.934 N/A LYS 19.A NZ GLU 51.A OE2 no hydrogen 3.213 N/A LYS 19.A NZ GLN 92.A OE1 no hydrogen 3.514 N/A LEU 23.A N VAL 31.A O no hydrogen 2.738 N/A GLY 24.A N VAL 31.A O no hydrogen 3.274 N/A GLY 26.A N GLY 29.A O no hydrogen 3.220 N/A GLY 29.A N GLY 26.A O no hydrogen 3.129 N/A THR 30.A N GLU 51.A O no hydrogen 2.898 N/A VAL 31.A N GLY 24.A O no hydrogen 2.707 N/A TYR 32.A N ILE 49.A O no hydrogen 2.678 N/A LYS 33.A N LYS 21.A O no hydrogen 2.679 N/A TRP 36.A N ILE 45.A O no hydrogen 2.770 N/A TRP 36.A NE1 GLU 16.A OE2 no hydrogen 3.155 N/A ILE 37.A N GLU 16.A O no hydrogen 2.688 N/A GLU 41.A N GLU 39.A O no hydrogen 2.858 N/A ILE 45.A N TRP 36.A O no hydrogen 2.588 N/A VAL 47.A N GLY 34.A O no hydrogen 3.117 N/A ALA 48.A N MET 95.A O no hydrogen 3.142 N/A ILE 49.A N TYR 32.A O no hydrogen 2.966 N/A LYS 50.A N LEU 93.A O no hydrogen 2.795 N/A LYS 50.A NZ GLU 67.A OE1 no hydrogen 2.502 N/A LYS 50.A NZ GLU 67.A OE2 no hydrogen 3.407 N/A GLU 51.A N THR 30.A O no hydrogen 2.826 N/A ALA 60.A N SER 57.A OG no hydrogen 3.260 N/A ASN 61.A N SER 57.A O no hydrogen 2.774 N/A ASN 61.A ND2 GLU 54.A O no hydrogen 3.585 N/A ASN 61.A ND2 SER 57.A O no hydrogen 2.841 N/A LYS 62.A N LYS 59.A O no hydrogen 3.056 N/A GLU 63.A N LYS 59.A O no hydrogen 2.995 N/A ILE 64.A N ALA 60.A O no hydrogen 2.792 N/A ASP 66.A N LYS 62.A O no hydrogen 3.015 N/A GLU 67.A N GLU 63.A O no hydrogen 2.842 N/A ALA 68.A N ILE 64.A O no hydrogen 3.034 N/A TYR 69.A N LEU 65.A O no hydrogen 3.088 N/A VAL 70.A N ASP 66.A O no hydrogen 3.065 N/A MET 71.A N GLU 67.A O no hydrogen 2.910 N/A ALA 72.A N ALA 68.A O no hydrogen 2.822 N/A SER 73.A N VAL 70.A O no hydrogen 3.111 N/A SER 73.A OG TYR 69.A O no hydrogen 2.737 N/A VAL 74.A N VAL 70.A O no hydrogen 3.190 N/A ASP 75.A N TYR 132.A OH no hydrogen 2.642 N/A ASN 76.A ND2 HIS 78.A ND1 no hydrogen 3.632 N/A VAL 79.A N ASN 76.A O no hydrogen 3.199 N/A CYS 80.A N ILE 158.A O no hydrogen 2.795 N/A LEU 82.A N MET 71.A O no hydrogen 3.137 N/A LEU 83.A N ILE 94.A O no hydrogen 2.687 N/A GLY 84.A N ILE 94.A O no hydrogen 2.856 N/A ILE 85.A N ARG 10.A O no hydrogen 3.013 N/A CYS 86.A N GLN 92.A O no hydrogen 2.876 N/A CYS 86.A SG LEU 12.A O no hydrogen 3.004 N/A THR 90.A OG1 GLU 51.A OE1 no hydrogen 2.552 N/A THR 90.A OG1 THR 90.A O no hydrogen 2.540 N/A GLN 92.A N CYS 86.A O no hydrogen 2.953 N/A LEU 93.A N LYS 50.A O no hydrogen 2.763 N/A ILE 94.A N GLY 84.A O no hydrogen 2.994 N/A MET 95.A N ALA 48.A O no hydrogen 2.912 N/A GLY 101.A N MET 98.A O no hydrogen 3.279 N/A LEU 103.A N VAL 148.A O no hydrogen 2.549 N/A LEU 104.A N ALA 145.A O no hydrogen 3.093 N/A TYR 106.A N CYS 102.A O no hydrogen 3.019 N/A TYR 106.A N LEU 103.A O no hydrogen 3.042 N/A VAL 107.A N LEU 103.A O no hydrogen 3.040 N/A ARG 108.A N LEU 104.A O no hydrogen 3.297 N/A ARG 108.A NE GLY 216.A O no hydrogen 2.813 N/A ARG 108.A NH2 GLY 216.A O no hydrogen 2.743 N/A GLU 109.A N TYR 106.A O no hydrogen 2.858 N/A HIS 110.A N TYR 106.A O no hydrogen 3.030 N/A ASN 113.A N HIS 110.A O no hydrogen 2.539 N/A SER 116.A N ASP 289.A OD1 no hydrogen 3.025 N/A SER 116.A OG ASP 289.A OD1 no hydrogen 3.296 N/A SER 116.A OG ASP 289.A OD2 no hydrogen 3.179 N/A LEU 120.A N SER 116.A O no hydrogen 2.898 N/A ASN 121.A N GLN 117.A O no hydrogen 3.262 N/A ASN 121.A ND2 GLN 117.A OE1 no hydrogen 3.597 N/A TRP 122.A N TYR 118.A O no hydrogen 2.919 N/A TRP 122.A NE1 PRO 153.A O no hydrogen 2.945 N/A CYS 123.A N LEU 119.A O no hydrogen 3.141 N/A CYS 123.A SG LEU 119.A O no hydrogen 3.113 N/A VAL 124.A N LEU 120.A O no hydrogen 2.990 N/A GLN 125.A N ASN 121.A O no hydrogen 2.861 N/A GLN 125.A NE2 GLN 154.A O no hydrogen 2.752 N/A ILE 126.A N TRP 122.A O no hydrogen 2.854 N/A ALA 127.A N CYS 123.A O no hydrogen 3.038 N/A LYS 128.A N VAL 124.A O no hydrogen 2.659 N/A GLY 129.A N GLN 125.A O no hydrogen 2.724 N/A MET 130.A N ILE 126.A O no hydrogen 2.804 N/A ASN 131.A N ALA 127.A O no hydrogen 2.784 N/A TYR 132.A N LYS 128.A O no hydrogen 3.073 N/A LEU 133.A N GLY 129.A O no hydrogen 3.113 N/A GLU 134.A N MET 130.A O no hydrogen 2.825 N/A ASP 135.A N ASN 131.A O no hydrogen 3.127 N/A ASP 135.A N TYR 132.A O no hydrogen 3.188 N/A ARG 136.A N TYR 132.A O no hydrogen 3.351 N/A ARG 136.A N LEU 133.A O no hydrogen 2.798 N/A ARG 136.A NE TYR 132.A OH no hydrogen 3.378 N/A ARG 137.A N GLU 134.A O no hydrogen 3.119 N/A ARG 137.A NH1 GLY 168.A O no hydrogen 3.052 N/A LEU 138.A N LEU 133.A O no hydrogen 3.095 N/A VAL 139.A N LYS 165.A O no hydrogen 2.786 N/A HIS 140.A N ASP 201.A OD1 no hydrogen 2.797 N/A HIS 140.A NE2 THR 159.A O no hydrogen 2.704 N/A ARG 141.A NH2 LEU 163.A O no hydrogen 2.935 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.269 N/A ALA 145.A N GLU 211.A OE1 no hydrogen 2.832 N/A ARG 146.A NE ASN 147.A OD1 no hydrogen 3.344 N/A ARG 146.A NH1 ASP 142.A OD1 no hydrogen 3.087 N/A ASN 147.A N ALA 144.A O no hydrogen 2.869 N/A ASN 147.A ND2 ASP 160.A OD1 no hydrogen 2.859 N/A VAL 148.A N ALA 145.A O no hydrogen 3.296 N/A VAL 150.A N GLY 101.A O no hydrogen 2.949 N/A LYS 151.A N HIS 155.A O no hydrogen 3.177 N/A LYS 151.A NZ ASP 297.A OD1 no hydrogen 3.009 N/A THR 152.A N HIS 155.A O no hydrogen 3.041 N/A THR 152.A OG1 GLN 154.A OE1 no hydrogen 2.235 N/A HIS 155.A N THR 152.A O no hydrogen 2.599 N/A VAL 156.A N GLN 125.A OE1 no hydrogen 2.487 N/A LYS 157.A N LEU 149.A O no hydrogen 3.010 N/A ILE 158.A N HIS 78.A O no hydrogen 2.738 N/A THR 159.A N ASN 147.A O no hydrogen 3.225 N/A PHE 161.A N GLU 67.A OE2 no hydrogen 3.108 N/A GLY 162.A N ASP 160.A OD2 no hydrogen 3.027 N/A LYS 165.A N VAL 139.A O no hydrogen 3.051 N/A LEU 167.A N ARG 137.A O no hydrogen 2.921 N/A TYR 174.A N TYR 196.A O no hydrogen 3.055 N/A ALA 176.A N ARG 194.A O no hydrogen 3.162 N/A LYS 184.A NZ TYR 220.A O no hydrogen 3.019 N/A LYS 184.A NZ ILE 223.A O no hydrogen 3.005 N/A TRP 185.A N PRO 182.A O no hydrogen 2.958 N/A TRP 185.A NE1 GLU 211.A OE1 no hydrogen 3.147 N/A MET 186.A N ILE 183.A O no hydrogen 3.065 N/A SER 190.A N ALA 187.A O no hydrogen 2.970 N/A SER 190.A OG ILE 195.A O no hydrogen 2.406 N/A SER 190.A OG SER 200.A OG no hydrogen 2.861 N/A ILE 191.A N LEU 188.A O no hydrogen 2.980 N/A LEU 192.A N LEU 188.A O no hydrogen 2.963 N/A TYR 196.A N TYR 174.A O no hydrogen 3.078 N/A SER 200.A N THR 197.A O no hydrogen 2.919 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.288 N/A SER 200.A OG SER 190.A OG no hydrogen 2.861 N/A ASP 201.A N THR 197.A O no hydrogen 3.231 N/A VAL 202.A N HIS 198.A O no hydrogen 3.186 N/A SER 204.A N SER 200.A O no hydrogen 3.333 N/A SER 204.A OG TRP 185.A O no hydrogen 2.804 N/A SER 204.A OG SER 200.A O no hydrogen 3.471 N/A TYR 205.A N ASP 201.A O no hydrogen 2.837 N/A TYR 205.A OH CYS 123.A O no hydrogen 2.662 N/A GLY 206.A N VAL 202.A O no hydrogen 3.031 N/A VAL 207.A N TRP 203.A O no hydrogen 3.206 N/A THR 208.A N SER 204.A O no hydrogen 2.765 N/A THR 208.A OG1 SER 204.A O no hydrogen 2.830 N/A VAL 209.A N TYR 205.A O no hydrogen 2.770 N/A TRP 210.A N GLY 206.A O no hydrogen 2.908 N/A TRP 210.A NE1 PRO 239.A O no hydrogen 2.970 N/A GLU 211.A N VAL 207.A O no hydrogen 3.086 N/A LEU 212.A N THR 208.A O no hydrogen 3.138 N/A MET 213.A N VAL 209.A O no hydrogen 2.807 N/A THR 214.A N TRP 210.A O no hydrogen 2.750 N/A THR 214.A OG1 TRP 210.A O no hydrogen 3.126 N/A THR 214.A OG1 GLU 211.A O no hydrogen 2.912 N/A PHE 215.A N LEU 212.A O no hydrogen 3.062 N/A GLY 216.A N GLU 211.A O no hydrogen 2.767 N/A SER 217.A N THR 214.A OG1 no hydrogen 2.962 N/A SER 217.A OG THR 214.A O no hydrogen 3.099 N/A ILE 223.A N ASP 221.A O no hydrogen 2.534 N/A GLU 227.A N ALA 225.A O no hydrogen 2.651 N/A SER 230.A OG GLU 227.A O no hydrogen 2.363 N/A ILE 231.A N GLU 227.A O no hydrogen 2.898 N/A LEU 232.A N ILE 228.A O no hydrogen 2.658 N/A GLU 233.A N SER 229.A O no hydrogen 2.860 N/A LYS 234.A N ILE 231.A O no hydrogen 2.857 N/A GLY 235.A N LEU 232.A O no hydrogen 2.871 N/A GLU 236.A N ILE 231.A O no hydrogen 3.392 N/A ARG 237.A NE GLU 236.A O no hydrogen 2.460 N/A CYS 244.A N PRO 241.A O no hydrogen 2.774 N/A THR 245.A N TYR 283.A O no hydrogen 3.224 N/A THR 245.A OG1 TYR 283.A O no hydrogen 2.943 N/A VAL 248.A N THR 245.A O no hydrogen 2.648 N/A VAL 248.A N THR 245.A OG1 no hydrogen 3.411 N/A TYR 249.A N THR 245.A O no hydrogen 3.052 N/A TYR 249.A OH LEU 238.A O no hydrogen 2.663 N/A MET 250.A N ILE 246.A O no hydrogen 3.029 N/A MET 252.A N VAL 248.A O no hydrogen 3.373 N/A VAL 253.A N TYR 249.A O no hydrogen 2.713 N/A LYS 254.A N MET 250.A O no hydrogen 2.792 N/A CYS 255.A N MET 252.A O no hydrogen 2.748 N/A CYS 255.A SG VAL 202.A O no hydrogen 3.740 N/A CYS 255.A SG ILE 251.A O no hydrogen 3.495 N/A TRP 256.A N MET 252.A O no hydrogen 3.245 N/A TRP 256.A N VAL 253.A O no hydrogen 2.976 N/A SER 262.A N ASP 259.A O no hydrogen 2.780 N/A SER 262.A OG ASP 259.A OD1 no hydrogen 2.732 N/A ARG 263.A N ALA 260.A O no hydrogen 3.347 N/A ARG 263.A NE MET 257.A O no hydrogen 2.726 N/A ARG 263.A NH1 GLN 199.A O no hydrogen 2.840 N/A ARG 263.A NH2 MET 257.A O no hydrogen 3.303 N/A LEU 269.A N LYS 265.A O no hydrogen 2.800 N/A ILE 270.A N PHE 266.A O no hydrogen 3.298 N/A GLU 272.A N GLU 268.A O no hydrogen 2.883 N/A PHE 273.A N LEU 269.A O no hydrogen 3.024 N/A SER 274.A N ILE 270.A O no hydrogen 2.815 N/A SER 274.A OG ILE 270.A O no hydrogen 2.537 N/A LYS 275.A N ILE 271.A O no hydrogen 2.888 N/A LYS 275.A NZ GLU 272.A OE2 no hydrogen 2.731 N/A MET 276.A N GLU 272.A O no hydrogen 3.353 N/A ALA 277.A N PHE 273.A O no hydrogen 2.797 N/A ARG 278.A N LYS 275.A O no hydrogen 2.894 N/A ASP 279.A N MET 276.A O no hydrogen 2.811 N/A GLN 281.A NE2 GLU 290.A OE2 no hydrogen 3.475 N/A ARG 282.A N ASP 279.A O no hydrogen 2.778 N/A TYR 283.A N PRO 280.A O no hydrogen 2.870 N/A LEU 284.A N PRO 280.A O no hydrogen 2.775 N/A VAL 285.A N ILE 243.A O no hydrogen 2.855 N/A ASP 289.A N ILE 286.A O no hydrogen 2.699 N/A ARG 291.A N GLY 288.A O no hydrogen 2.668 N/A VAL 294.A N LYS 44.A O no hydrogen 2.903 N/A ASP 297.A N ASP 295.A OD1 no hydrogen 3.033 N/A