Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1i45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 225.A OD2 no hydrogen 2.776 N/A ARG 2.A NH1 SER 200.A O no hydrogen 2.860 N/A ARG 2.A NH2 ALA 222.A O no hydrogen 2.867 N/A ARG 2.A NH2 ASP 225.A OD2 no hydrogen 3.456 N/A PHE 5.A N ASP 225.A O no hydrogen 3.045 N/A VAL 6.A N GLU 36.A O no hydrogen 2.852 N/A GLY 7.A N PHE 227.A O no hydrogen 2.834 N/A GLY 8.A N VAL 38.A O no hydrogen 2.733 N/A ASN 9.A N VAL 229.A O no hydrogen 2.845 N/A PHE 10.A N CYS 40.A O no hydrogen 3.101 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 2.931 N/A LYS 11.A NZ GLU 96.A OE1 no hydrogen 2.734 N/A ASN 13.A N LYS 11.A O no hydrogen 2.891 N/A ASN 13.A ND2 PHE 10.A O no hydrogen 2.914 N/A SER 15.A N SER 18.A OG no hydrogen 2.866 N/A SER 15.A OG SER 18.A OG no hydrogen 3.360 N/A SER 18.A N SER 15.A OG no hydrogen 2.967 N/A SER 18.A OG SER 15.A O no hydrogen 3.284 N/A SER 18.A OG SER 15.A OG no hydrogen 3.360 N/A ILE 19.A N SER 15.A O no hydrogen 2.944 N/A LYS 20.A N LYS 16.A O no hydrogen 2.998 N/A GLU 21.A N GLN 17.A O no hydrogen 3.175 N/A ILE 22.A N SER 18.A O no hydrogen 3.065 N/A VAL 23.A N ILE 19.A O no hydrogen 2.894 N/A GLU 24.A N LYS 20.A O no hydrogen 2.835 N/A ARG 25.A N GLU 21.A O no hydrogen 3.032 N/A LEU 26.A N ILE 22.A O no hydrogen 3.237 N/A ASN 27.A N VAL 23.A O no hydrogen 2.869 N/A THR 28.A N GLU 24.A O no hydrogen 3.190 N/A THR 28.A OG1 GLU 24.A O no hydrogen 3.248 N/A THR 28.A OG1 ARG 25.A O no hydrogen 3.510 N/A ALA 29.A N LEU 26.A O no hydrogen 3.411 N/A GLU 36.A N PHE 4.A O no hydrogen 2.932 N/A VAL 37.A N GLN 57.A O no hydrogen 2.791 N/A VAL 38.A N VAL 6.A O no hydrogen 2.943 N/A ILE 39.A N THR 59.A O no hydrogen 3.027 N/A CYS 40.A N GLY 8.A O no hydrogen 2.668 N/A CYS 40.A SG VAL 38.A O no hydrogen 3.980 N/A TYR 45.A N PRO 42.A O no hydrogen 2.823 N/A TYR 45.A OH GLY 14.A O no hydrogen 3.373 N/A LEU 46.A N ALA 43.A O no hydrogen 3.130 N/A SER 49.A N TYR 45.A O no hydrogen 2.913 N/A SER 49.A OG TYR 45.A O no hydrogen 2.870 N/A VAL 50.A N LEU 46.A O no hydrogen 3.065 N/A SER 51.A N ASP 47.A O no hydrogen 3.018 N/A SER 51.A OG TYR 48.A O no hydrogen 2.644 N/A LEU 52.A N TYR 48.A O no hydrogen 3.199 N/A LEU 52.A N SER 49.A O no hydrogen 3.045 N/A VAL 53.A N SER 49.A O no hydrogen 3.212 N/A LYS 55.A NZ ASN 27.A O no hydrogen 3.498 N/A LYS 55.A NZ ALA 29.A O no hydrogen 2.589 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.752 N/A GLN 57.A NE2 PRO 32.A O no hydrogen 2.959 N/A VAL 58.A N LYS 55.A O no hydrogen 3.051 N/A THR 59.A N VAL 37.A O no hydrogen 2.924 N/A GLY 61.A N ILE 39.A O no hydrogen 2.851 N/A ALA 62.A N TYR 89.A O no hydrogen 2.812 N/A GLN 63.A NE2 LYS 11.A O no hydrogen 2.954 N/A GLN 63.A NE2 CYS 40.A O no hydrogen 2.931 N/A TYR 66.A N ASN 77.A O no hydrogen 2.920 N/A PHE 73.A N GLY 71.A O no hydrogen 2.929 N/A GLU 76.A N PHE 73.A O no hydrogen 3.217 N/A ASN 77.A ND2 ASN 64.A O no hydrogen 3.165 N/A SER 78.A OG ALA 69.A O no hydrogen 2.510 N/A ASP 80.A N SER 78.A OG no hydrogen 3.102 N/A GLN 81.A N SER 78.A O no hydrogen 2.946 N/A ILE 82.A N SER 78.A O no hydrogen 3.247 N/A LYS 83.A N VAL 79.A O no hydrogen 3.149 N/A LYS 83.A NZ GLN 118.A O no hydrogen 2.990 N/A ASP 84.A N ASP 80.A O no hydrogen 2.952 N/A VAL 85.A N GLN 81.A O no hydrogen 3.203 N/A GLY 86.A N LYS 83.A O no hydrogen 2.903 N/A ALA 87.A N ILE 82.A O no hydrogen 2.829 N/A LYS 88.A N VAL 60.A O no hydrogen 2.769 N/A TYR 89.A N VAL 60.A O no hydrogen 3.257 N/A TYR 89.A OH GLU 36.A OE2 no hydrogen 2.559 N/A VAL 90.A N GLY 121.A O no hydrogen 3.011 N/A ILE 91.A N ALA 62.A O no hydrogen 2.813 N/A LEU 92.A N ILE 123.A O no hydrogen 3.061 N/A SER 95.A N GLU 164.A OE1 no hydrogen 2.786 N/A SER 95.A OG GLU 164.A OE2 no hydrogen 2.807 N/A GLU 96.A N HIS 94.A ND1 no hydrogen 3.003 N/A ARG 97.A N HIS 94.A O no hydrogen 2.847 N/A ARG 97.A NE GLU 103.A OE1 no hydrogen 2.751 N/A ARG 98.A N HIS 94.A O no hydrogen 3.029 N/A ARG 98.A NE GLY 93.A O no hydrogen 2.835 N/A ARG 98.A NE CYS 125.A O no hydrogen 3.460 N/A ARG 98.A NH1 CYS 125.A O no hydrogen 2.976 N/A SER 99.A N SER 95.A O no hydrogen 2.892 N/A SER 99.A OG SER 95.A O no hydrogen 2.745 N/A TYR 100.A N GLU 96.A O no hydrogen 3.228 N/A TYR 100.A N SER 99.A OG no hydrogen 2.688 N/A PHE 101.A N ARG 97.A O no hydrogen 3.186 N/A HIS 102.A N SER 99.A O no hydrogen 3.464 N/A GLU 103.A N ARG 97.A O no hydrogen 3.160 N/A LYS 106.A NZ ASP 110.A OD1 no hydrogen 3.414 N/A LYS 106.A NZ ASP 110.A OD2 no hydrogen 3.027 N/A PHE 107.A N ASP 104.A OD1 no hydrogen 2.835 N/A ILE 108.A N ASP 104.A O no hydrogen 3.180 N/A ALA 109.A N ASP 105.A O no hydrogen 3.013 N/A ASP 110.A N LYS 106.A O no hydrogen 2.809 N/A LYS 111.A N PHE 107.A O no hydrogen 2.955 N/A LYS 111.A NZ ASN 64.A OD1 no hydrogen 2.954 N/A LYS 111.A NZ ALA 65.A O no hydrogen 3.308 N/A LYS 111.A NZ GLU 103.A OE1 no hydrogen 3.057 N/A LYS 111.A NZ GLU 103.A OE2 no hydrogen 2.887 N/A THR 112.A N ILE 108.A O no hydrogen 2.874 N/A THR 112.A OG1 ILE 108.A O no hydrogen 2.810 N/A LYS 113.A N ALA 109.A O no hydrogen 3.004 N/A PHE 114.A N ASP 110.A O no hydrogen 3.042 N/A ALA 115.A N LYS 111.A O no hydrogen 2.851 N/A LEU 116.A N THR 112.A O no hydrogen 2.951 N/A GLY 117.A N LYS 113.A O no hydrogen 2.934 N/A GLN 118.A N PHE 114.A O no hydrogen 3.151 N/A GLN 118.A N ALA 115.A O no hydrogen 3.029 N/A GLN 118.A NE2 ASP 80.A OD2 no hydrogen 2.994 N/A GLY 119.A N LEU 116.A O no hydrogen 2.826 N/A VAL 120.A N ALA 115.A O no hydrogen 3.075 N/A GLY 121.A N LYS 88.A O no hydrogen 2.953 N/A VAL 122.A N ASN 158.A O no hydrogen 3.040 N/A ILE 123.A N VAL 90.A O no hydrogen 2.981 N/A LEU 124.A N VAL 160.A O no hydrogen 2.825 N/A CYS 125.A N LEU 92.A O no hydrogen 2.931 N/A CYS 125.A SG ILE 123.A O no hydrogen 3.859 N/A ILE 126.A N ALA 162.A O no hydrogen 2.978 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.613 N/A THR 129.A N GLU 132.A OE2 no hydrogen 2.803 N/A GLU 132.A N THR 129.A OG1 no hydrogen 3.285 N/A LYS 133.A N THR 129.A O no hydrogen 2.786 N/A LYS 134.A N LEU 130.A O no hydrogen 2.810 N/A ALA 135.A N GLU 131.A O no hydrogen 2.948 N/A GLY 136.A N LYS 133.A O no hydrogen 2.870 N/A LYS 137.A N GLU 132.A O no hydrogen 2.802 N/A THR 138.A OG1 GLU 128.A OE2 no hydrogen 2.550 N/A VAL 141.A N LYS 137.A O no hydrogen 2.855 N/A VAL 142.A N THR 138.A O no hydrogen 3.137 N/A GLU 143.A N LEU 139.A O no hydrogen 3.000 N/A ARG 144.A N ASP 140.A O no hydrogen 2.931 N/A ARG 144.A NH2 ASP 105.A OD1 no hydrogen 2.699 N/A GLN 145.A N VAL 141.A O no hydrogen 2.885 N/A LEU 146.A N VAL 142.A O no hydrogen 2.884 N/A ASN 147.A N GLU 143.A O no hydrogen 2.765 N/A ALA 148.A N ARG 144.A O no hydrogen 3.178 N/A LEU 150.A N LEU 146.A O no hydrogen 2.812 N/A GLU 151.A N ASN 147.A O no hydrogen 3.043 N/A GLU 151.A N ALA 148.A O no hydrogen 3.299 N/A GLU 152.A N VAL 149.A O no hydrogen 2.966 N/A VAL 153.A N VAL 149.A O no hydrogen 2.704 N/A LYS 154.A NZ LEU 150.A O no hydrogen 2.908 N/A THR 157.A N ASP 155.A OD2 no hydrogen 2.850 N/A THR 157.A OG1 ASP 155.A OD1 no hydrogen 3.551 N/A THR 157.A OG1 ASP 155.A OD2 no hydrogen 2.513 N/A VAL 159.A N PHE 156.A O no hydrogen 3.049 N/A VAL 160.A N VAL 122.A O no hydrogen 2.940 N/A VAL 161.A N ARG 203.A O no hydrogen 3.015 N/A ALA 162.A N LEU 124.A O no hydrogen 2.724 N/A TYR 163.A N LEU 205.A O no hydrogen 2.896 N/A TYR 163.A OH GLU 128.A OE1 no hydrogen 2.642 N/A TYR 163.A OH GLU 128.A OE2 no hydrogen 3.234 N/A GLU 164.A N ILE 126.A O no hydrogen 2.703 N/A VAL 166.A N GLU 164.A O no hydrogen 2.801 N/A ILE 168.A N VAL 166.A O no hydrogen 3.035 N/A LEU 172.A N THR 170.A OG1 no hydrogen 3.244 N/A THR 175.A N ASP 178.A OD1 no hydrogen 2.975 N/A ASP 178.A N THR 175.A OG1 no hydrogen 3.076 N/A ALA 179.A N THR 175.A O no hydrogen 2.970 N/A GLN 180.A N PRO 176.A O no hydrogen 2.898 N/A ASP 181.A N GLU 177.A O no hydrogen 3.053 N/A ILE 182.A N ASP 178.A O no hydrogen 3.116 N/A HIS 183.A N ALA 179.A O no hydrogen 2.865 N/A HIS 183.A ND1 ASP 223.A O no hydrogen 2.916 N/A ALA 184.A N GLN 180.A O no hydrogen 2.950 N/A SER 185.A N ASP 181.A O no hydrogen 3.162 N/A SER 185.A OG ASP 181.A O no hydrogen 3.208 N/A ILE 186.A N ILE 182.A O no hydrogen 2.857 N/A ARG 187.A N HIS 183.A O no hydrogen 2.922 N/A ARG 187.A NE ASP 223.A OD2 no hydrogen 2.760 N/A ARG 187.A NH1 ASP 223.A O no hydrogen 3.125 N/A ARG 187.A NH1 ASP 225.A OD1 no hydrogen 2.799 N/A ARG 187.A NH2 ALA 199.A O no hydrogen 2.865 N/A ARG 187.A NH2 LEU 202.A O no hydrogen 2.751 N/A LYS 188.A N ALA 184.A O no hydrogen 2.958 N/A PHE 189.A N SER 185.A O no hydrogen 2.966 N/A LEU 190.A N ILE 186.A O no hydrogen 2.939 N/A ALA 191.A N ARG 187.A O no hydrogen 2.911 N/A SER 192.A N LYS 188.A O no hydrogen 3.302 N/A SER 192.A N PHE 189.A O no hydrogen 3.029 N/A SER 192.A OG PHE 189.A O no hydrogen 2.625 N/A LYS 193.A N LEU 190.A O no hydrogen 3.141 N/A LEU 194.A N LEU 190.A O no hydrogen 2.674 N/A GLY 195.A N ALA 191.A O no hydrogen 2.731 N/A ALA 199.A N GLY 195.A O no hydrogen 3.136 N/A SER 200.A N ASP 196.A O no hydrogen 2.876 N/A SER 200.A OG ASP 196.A O no hydrogen 3.499 N/A SER 200.A OG LYS 197.A O no hydrogen 2.722 N/A GLU 201.A N LYS 197.A O no hydrogen 3.273 N/A GLU 201.A N ALA 198.A O no hydrogen 3.122 N/A LEU 202.A N ALA 198.A O no hydrogen 3.133 N/A ARG 203.A NH1 GLU 36.A OE1 no hydrogen 3.122 N/A ARG 203.A NH2 THR 3.A O no hydrogen 3.035 N/A ARG 203.A NH2 GLU 36.A OE1 no hydrogen 3.258 N/A ILE 204.A N ASP 225.A OD1 no hydrogen 2.826 N/A LEU 205.A N VAL 161.A O no hydrogen 2.623 N/A TYR 206.A N GLY 226.A O no hydrogen 2.910 N/A GLY 207.A N TYR 163.A O no hydrogen 2.642 N/A ASN 211.A N ASN 214.A OD1 no hydrogen 3.020 N/A GLY 212.A N GLU 237.A OE1 no hydrogen 2.793 N/A ASN 214.A N ASN 211.A OD1 no hydrogen 2.850 N/A ASN 214.A ND2 SER 209.A O no hydrogen 3.236 N/A ALA 215.A N ASN 211.A O no hydrogen 2.934 N/A THR 217.A N ASN 214.A O no hydrogen 2.992 N/A THR 217.A OG1 ASN 214.A O no hydrogen 2.546 N/A PHE 218.A N ALA 215.A O no hydrogen 3.057 N/A LYS 219.A N VAL 216.A O no hydrogen 3.109 N/A LYS 221.A N PHE 218.A O no hydrogen 3.241 N/A LYS 221.A NZ GLU 177.A OE2 no hydrogen 2.835 N/A VAL 224.A N LYS 221.A O no hydrogen 3.137 N/A ASP 225.A N ILE 204.A O no hydrogen 2.921 N/A PHE 227.A N PHE 5.A O no hydrogen 2.984 N/A LEU 228.A N TYR 206.A O no hydrogen 3.043 N/A VAL 229.A N GLY 7.A O no hydrogen 2.807 N/A SER 233.A N GLY 230.A O no hydrogen 2.937 N/A SER 233.A OG GLY 230.A O no hydrogen 2.606 N/A LEU 234.A N GLY 231.A O no hydrogen 3.120 N/A LYS 235.A N ALA 232.A O no hydrogen 2.976 N/A PHE 238.A N LYS 235.A O no hydrogen 3.048 N/A VAL 239.A N PRO 236.A O no hydrogen 3.017 N/A ILE 241.A N GLU 237.A O no hydrogen 3.087 N/A ILE 242.A N PHE 238.A O no hydrogen 3.120 N/A ASN 243.A N VAL 239.A O no hydrogen 3.076 N/A ASN 243.A ND2 SER 30.A O no hydrogen 3.258 N/A SER 244.A N ILE 241.A O no hydrogen 3.039 N/A SER 244.A OG ILE 241.A O no hydrogen 2.734 N/A ARG 245.A NH1 VAL 224.A O no hydrogen 3.033 N/A ARG 245.A NH2 PHE 218.A O no hydrogen 2.920 N/A ARG 245.A NH2 VAL 224.A O no hydrogen 2.772 N/A ASN 246.A N ASN 243.A O no hydrogen 3.236 N/A