Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nik_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG ASP 35.A OD2 no hydrogen 2.917 N/A ASN 5.A N GLN 36.A OE1 no hydrogen 3.082 N/A LEU 6.A N SER 4.A OG no hydrogen 3.163 N/A CYS 9.A SG ARG 39.A O no hydrogen 3.844 N/A ASN 10.A N LEU 6.A O no hydrogen 3.100 N/A ASN 10.A ND2 SER 4.A O no hydrogen 2.942 N/A ASN 10.A ND2 LEU 6.A O no hydrogen 2.861 N/A LEU 11.A N MET 7.A O no hydrogen 2.888 N/A ALA 12.A N VAL 8.A O no hydrogen 3.029 N/A TYR 13.A N CYS 9.A O no hydrogen 2.963 N/A SER 14.A N ASN 10.A O no hydrogen 3.003 N/A SER 14.A OG ASN 10.A O no hydrogen 2.827 N/A SER 14.A OG LEU 11.A O no hydrogen 3.559 N/A GLY 15.A N ALA 12.A O no hydrogen 3.415 N/A LYS 16.A N LEU 11.A O no hydrogen 3.058 N/A GLU 19.A N GLU 19.A OE1.B no hydrogen 2.568 N/A LEU 20.A N LYS 16.A O no hydrogen 2.890 N/A LYS 21.A N LEU 17.A O no hydrogen 2.726 N/A GLU 22.A N GLU 18.A O no hydrogen 2.890 N/A SER 23.A N GLU 19.A O no hydrogen 2.924 N/A SER 23.A OG GLU 19.A O no hydrogen 3.063 N/A ILE 24.A N LEU 20.A O no hydrogen 2.956 N/A LEU 25.A N LYS 21.A O no hydrogen 2.805 N/A ALA 26.A N GLU 22.A O no hydrogen 2.942 N/A ASP 27.A N SER 23.A O no hydrogen 2.927 N/A SER 29.A N ASP 27.A OD1 no hydrogen 3.036 N/A SER 29.A OG ASP 27.A OD1 no hydrogen 2.617 N/A SER 29.A OG ASP 27.A OD2 no hydrogen 3.244 N/A LEU 30.A N ASP 27.A O no hydrogen 3.113 N/A ALA 31.A N LYS 28.A O no hydrogen 3.102 N/A THR 32.A N SER 29.A O no hydrogen 3.156 N/A THR 32.A OG1 SER 29.A O no hydrogen 3.531 N/A ARG 33.A N LEU 30.A O no hydrogen 3.432 N/A ARG 33.A NH2 SER 29.A OG no hydrogen 2.936 N/A ASP 35.A N ARG 39.A O no hydrogen 2.825 N/A GLN 36.A N GLN 36.A OE1 no hydrogen 2.727 N/A GLN 36.A NE2 VAL 3.A O no hydrogen 2.999 N/A ASP 37.A N ASP 35.A OD1 no hydrogen 2.726 N/A SER 38.A N ASP 35.A O no hydrogen 2.971 N/A SER 38.A OG ASP 69.A OD1 no hydrogen 2.923 N/A ARG 39.A N ASP 35.A OD1 no hydrogen 3.005 N/A ARG 39.A NE ASP 68.A OD2 no hydrogen 2.908 N/A THR 40.A N HIS 43.A ND1 no hydrogen 2.956 N/A THR 40.A OG1 HIS 43.A ND1 no hydrogen 3.371 N/A HIS 43.A NE2 ASP 66.A O no hydrogen 2.830 N/A TRP 44.A N THR 40.A O no hydrogen 3.378 N/A TRP 44.A NE1 ASP 35.A OD2 no hydrogen 3.005 N/A ALA 45.A N ALA 41.A O no hydrogen 2.827 N/A CYS 46.A N LEU 42.A O no hydrogen 2.965 N/A CYS 46.A SG LEU 42.A O no hydrogen 3.287 N/A CYS 46.A SG PRO 74.A O no hydrogen 3.894 N/A SER 47.A N HIS 43.A O no hydrogen 3.056 N/A ALA 48.A N TRP 44.A O no hydrogen 3.162 N/A GLY 49.A N ALA 45.A O no hydrogen 2.865 N/A GLY 49.A N CYS 46.A O no hydrogen 3.258 N/A HIS 50.A N ALA 45.A O no hydrogen 3.193 N/A HIS 50.A NE2 TYR 13.A O no hydrogen 2.885 N/A VAL 54.A N HIS 50.A O no hydrogen 3.138 N/A GLU 55.A N THR 51.A O no hydrogen 2.863 N/A PHE 56.A N GLU 52.A O no hydrogen 3.008 N/A LEU 57.A N ILE 53.A O no hydrogen 2.993 N/A LEU 58.A N VAL 54.A O no hydrogen 2.826 N/A GLN 59.A N GLU 55.A O no hydrogen 3.027 N/A LEU 60.A N PHE 56.A O no hydrogen 3.199 N/A LEU 60.A N LEU 57.A O no hydrogen 3.119 N/A GLY 61.A N LEU 58.A O no hydrogen 2.828 N/A VAL 62.A N LEU 57.A O no hydrogen 3.519 N/A ASN 65.A ND2 GLY 94.A O no hydrogen 3.157 N/A LYS 67.A NZ VAL 100.A O no hydrogen 3.006 N/A ASP 68.A N TRP 72.A O no hydrogen 2.864 N/A ASP 69.A N ASP 37.A O no hydrogen 2.793 N/A ALA 70.A N ASP 68.A OD1 no hydrogen 2.998 N/A GLY 71.A N ASP 68.A O no hydrogen 2.772 N/A TRP 72.A N ASP 68.A OD1 no hydrogen 2.872 N/A SER 73.A N HIS 76.A ND1 no hydrogen 3.156 N/A SER 73.A OG HIS 76.A ND1 no hydrogen 2.891 N/A HIS 76.A N SER 73.A OG no hydrogen 3.243 N/A HIS 76.A ND1 SER 73.A OG no hydrogen 2.891 N/A HIS 76.A NE2 CYS 105.A O no hydrogen 2.705 N/A ILE 77.A N SER 73.A O no hydrogen 3.042 N/A ALA 78.A N PRO 74.A O no hydrogen 2.797 N/A ALA 79.A N LEU 75.A O no hydrogen 2.902 N/A SER 80.A N HIS 76.A O no hydrogen 2.976 N/A ALA 81.A N ILE 77.A O no hydrogen 2.996 N/A GLY 82.A N ALA 79.A O no hydrogen 3.164 N/A ARG 83.A N ALA 78.A O no hydrogen 2.874 N/A ARG 83.A NE SER 47.A O no hydrogen 3.293 N/A ARG 83.A NH2 SER 47.A O no hydrogen 2.959 N/A VAL 87.A N ARG 83.A O no hydrogen 2.993 N/A LYS 88.A N ASP 84.A O no hydrogen 3.071 N/A ALA 89.A N GLU 85.A O no hydrogen 3.023 N/A LEU 90.A N ILE 86.A O no hydrogen 2.776 N/A LEU 91.A N VAL 87.A O no hydrogen 2.873 N/A GLY 92.A N LYS 88.A O no hydrogen 2.995 N/A LYS 93.A N ALA 89.A O no hydrogen 3.074 N/A LYS 93.A N LEU 90.A O no hydrogen 2.955 N/A GLY 94.A N LEU 91.A O no hydrogen 3.321 N/A ALA 95.A N LEU 90.A O no hydrogen 2.980 N/A GLN 96.A N ASN 65.A OD1 no hydrogen 2.770 N/A ASN 98.A ND2 GLY 127.A O no hydrogen 3.383 N/A ALA 99.A N GLN 96.A O no hydrogen 3.343 N/A ASN 101.A N CYS 105.A O no hydrogen 3.006 N/A ASN 101.A ND2 TYR 110.A OH no hydrogen 2.755 N/A GLN 102.A N ALA 70.A O no hydrogen 3.202 N/A ASN 103.A N ASN 101.A OD1 no hydrogen 2.997 N/A GLY 104.A N ASN 101.A O no hydrogen 2.784 N/A CYS 105.A N ASN 101.A OD1 no hydrogen 2.916 N/A CYS 105.A SG ASP 134.A OD2 no hydrogen 3.799 N/A THR 106.A N HIS 109.A ND1 no hydrogen 3.006 N/A THR 106.A OG1 HIS 109.A ND1 no hydrogen 3.172 N/A LEU 108.A N THR 106.A OG1 no hydrogen 3.302 N/A HIS 109.A N THR 106.A O no hydrogen 3.082 N/A HIS 109.A NE2 ALA 138.A O no hydrogen 2.981 N/A ALA 111.A N PRO 107.A O no hydrogen 3.088 N/A ALA 112.A N LEU 108.A O no hydrogen 2.842 N/A SER 113.A N HIS 109.A O no hydrogen 3.091 N/A SER 113.A OG HIS 109.A O no hydrogen 3.223 N/A SER 113.A OG TYR 110.A O no hydrogen 3.278 N/A LYS 114.A N TYR 110.A O no hydrogen 2.913 N/A LYS 114.A NZ SER 80.A O no hydrogen 3.370 N/A LYS 114.A NZ SER 80.A OG no hydrogen 2.944 N/A ASN 115.A N ALA 112.A O no hydrogen 3.417 N/A ARG 116.A N ALA 111.A O no hydrogen 2.805 N/A ARG 116.A NE SER 80.A O no hydrogen 3.088 N/A ARG 116.A NH2 SER 80.A O no hydrogen 2.922 N/A ALA 120.A N ARG 116.A O no hydrogen 2.860 N/A VAL 121.A N HIS 117.A O no hydrogen 3.022 N/A MET 122.A N GLU 118.A O no hydrogen 2.915 N/A LEU 123.A N ILE 119.A O no hydrogen 2.832 N/A LEU 124.A N ALA 120.A O no hydrogen 2.877 N/A GLU 125.A N VAL 121.A O no hydrogen 2.709 N/A GLY 126.A N MET 122.A O no hydrogen 2.808 N/A GLY 127.A N LEU 124.A O no hydrogen 3.078 N/A ALA 128.A N LEU 123.A O no hydrogen 3.008 N/A ASN 129.A N ASN 98.A OD1 no hydrogen 2.853 N/A ASP 131.A N ASN 129.A OD1 no hydrogen 3.022 N/A ALA 132.A N ASN 129.A O no hydrogen 3.266 N/A ASP 134.A N ALA 138.A O no hydrogen 2.948 N/A HIS 135.A N ASN 103.A O no hydrogen 2.997 N/A TYR 136.A N ASP 134.A OD1 no hydrogen 2.903 N/A TYR 136.A OH GLU 169.A OE2 no hydrogen 2.417 N/A GLU 137.A N ASP 134.A O no hydrogen 2.660 N/A ALA 138.A N ASP 134.A OD1 no hydrogen 2.821 N/A THR 139.A N HIS 142.A ND1 no hydrogen 2.964 N/A THR 139.A OG1 HIS 142.A ND1 no hydrogen 2.950 N/A HIS 142.A N THR 139.A OG1 no hydrogen 3.336 N/A HIS 142.A ND1 THR 139.A OG1 no hydrogen 2.950 N/A HIS 142.A NE2 ASN 171.A O no hydrogen 2.903 N/A ARG 143.A N THR 139.A O no hydrogen 3.308 N/A ARG 143.A NH1 ASP 134.A OD2 no hydrogen 2.773 N/A ALA 144.A N ALA 140.A O no hydrogen 2.848 N/A ALA 145.A N MET 141.A O no hydrogen 2.821 N/A ALA 146.A N HIS 142.A O no hydrogen 2.998 N/A LYS 147.A N ARG 143.A O no hydrogen 3.082 N/A GLY 148.A N ALA 145.A O no hydrogen 3.228 N/A ASN 149.A N ALA 144.A O no hydrogen 2.873 N/A ASN 149.A ND2 ALA 112.A O no hydrogen 2.995 N/A ASN 149.A ND2 SER 113.A O no hydrogen 3.567 N/A ILE 153.A N ASN 149.A O no hydrogen 3.083 N/A HIS 154.A N LEU 150.A O no hydrogen 3.059 N/A ILE 155.A N LYS 151.A O no hydrogen 2.966 N/A LEU 156.A N MET 152.A O no hydrogen 2.916 N/A LEU 157.A N ILE 153.A O no hydrogen 2.883 N/A TYR 158.A N HIS 154.A O no hydrogen 3.032 N/A TYR 159.A N ILE 155.A O no hydrogen 3.307 N/A TYR 159.A N LEU 156.A O no hydrogen 3.226 N/A TYR 159.A OH GLU 125.A OE2 no hydrogen 2.618 N/A LYS 160.A N LEU 157.A O no hydrogen 2.929 N/A ALA 161.A N LEU 156.A O no hydrogen 3.025 N/A SER 162.A N ASP 131.A OD1 no hydrogen 2.870 N/A SER 162.A OG.A ASP 131.A OD1 no hydrogen 3.499 N/A SER 162.A OG.A ASP 131.A OD2 no hydrogen 2.852 N/A ASN 164.A N SER 162.A OG.B no hydrogen 3.145 N/A ASN 164.A ND2 GLY 193.A O no hydrogen 3.134 N/A GLN 166.A NE2 GLY 170.A O no hydrogen 2.830 N/A ASP 167.A N ASN 171.A O no hydrogen 2.814 N/A THR 168.A N TYR 136.A O no hydrogen 2.960 N/A THR 168.A OG1 GLU 137.A OE1 no hydrogen 3.293 N/A GLU 169.A N ASP 167.A OD1 no hydrogen 2.891 N/A GLY 170.A N ASP 167.A O no hydrogen 2.785 N/A ASN 171.A N ASP 167.A OD1 no hydrogen 2.889 N/A THR 172.A N HIS 175.A ND1 no hydrogen 2.948 N/A THR 172.A OG1 HIS 175.A ND1 no hydrogen 3.188 N/A HIS 175.A ND1 THR 172.A OG1 no hydrogen 3.188 N/A HIS 175.A NE2 LYS 204.A O no hydrogen 2.910 N/A LEU 176.A N THR 172.A O no hydrogen 3.338 N/A ALA 177.A N PRO 173.A O no hydrogen 2.859 N/A CYS 178.A N LEU 174.A O no hydrogen 2.906 N/A CYS 178.A SG LEU 174.A O no hydrogen 3.200 N/A CYS 178.A SG PRO 206.A O no hydrogen 3.477 N/A ASP 179.A N HIS 175.A O no hydrogen 2.940 N/A GLU 180.A N LEU 176.A O no hydrogen 3.069 N/A GLU 181.A N CYS 178.A O no hydrogen 3.060 N/A ARG 182.A N ALA 177.A O no hydrogen 2.725 N/A ARG 182.A NE ALA 146.A O no hydrogen 2.845 N/A ARG 182.A NH2 ALA 146.A O no hydrogen 3.371 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.686 N/A ALA 186.A N ARG 182.A O no hydrogen 2.979 N/A LYS 187.A N VAL 183.A O no hydrogen 3.044 N/A LEU 188.A N GLU 184.A O no hydrogen 2.959 N/A LEU 189.A N GLU 185.A O no hydrogen 3.051 N/A VAL 190.A N ALA 186.A O no hydrogen 3.071 N/A SER 191.A N LYS 187.A O no hydrogen 2.773 N/A SER 191.A OG LYS 187.A O no hydrogen 3.501 N/A SER 191.A OG LEU 188.A O no hydrogen 2.729 N/A GLN 192.A N LEU 189.A O no hydrogen 3.104 N/A GLY 193.A N VAL 190.A O no hydrogen 3.304 N/A ALA 194.A N LEU 189.A O no hydrogen 2.855 N/A SER 195.A N ASN 164.A OD1 no hydrogen 2.790 N/A TYR 197.A N SER 195.A OG no hydrogen 2.916 N/A TYR 197.A OH GLU 223.A OE2 no hydrogen 2.576 N/A ASN 200.A N LYS 204.A O no hydrogen 2.886 N/A ASN 200.A ND2 ASN 171.A OD1 no hydrogen 2.933 N/A LYS 201.A N GLU 169.A O no hydrogen 2.974 N/A LYS 201.A NZ THR 168.A O no hydrogen 2.923 N/A GLU 202.A N ASN 200.A OD1 no hydrogen 2.878 N/A GLU 203.A N ASN 200.A O no hydrogen 2.902 N/A LYS 204.A N ASN 200.A OD1 no hydrogen 3.000 N/A LYS 204.A NZ GLU 202.A OE1 no hydrogen 3.160 N/A THR 205.A N GLN 208.A OE1 no hydrogen 2.806 N/A THR 205.A OG1 GLN 208.A OE1 no hydrogen 3.426 N/A GLN 208.A N THR 205.A O no hydrogen 3.039 N/A ALA 210.A N LEU 207.A O no hydrogen 3.249 N/A LYS 211.A NZ ASP 179.A O no hydrogen 3.092 N/A ILE 217.A N GLY 213.A O no hydrogen 3.108 N/A LEU 218.A N LEU 214.A O no hydrogen 2.994 N/A LYS 219.A N GLY 215.A O no hydrogen 2.865 N/A ARG 220.A N LEU 216.A O no hydrogen 2.933 N/A MET 221.A N ILE 217.A O no hydrogen 3.311 N/A VAL 222.A N LEU 218.A O no hydrogen 3.243 N/A GLU 223.A N LYS 219.A O no hydrogen 2.746 N/A GLY 224.A N ARG 220.A O no hydrogen 2.676 N/A