Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N PRO 1.A O no hydrogen 3.328 N/A ASP 5.A N GLU 2.A O no hydrogen 3.218 N/A LEU 6.A N GLU 2.A O no hydrogen 3.334 N/A ARG 7.A N SER 3.A O no hydrogen 2.921 N/A ARG 7.A NH1 GLN 202.A OE1 no hydrogen 2.841 N/A ARG 7.A NH2 GLN 202.A OE1 no hydrogen 3.376 N/A ALA 8.A N ALA 4.A O no hydrogen 2.941 N/A LEU 9.A N ASP 5.A O no hydrogen 3.040 N/A ALA 10.A N LEU 6.A O no hydrogen 2.986 N/A LYS 11.A N ARG 7.A O no hydrogen 2.958 N/A HIS 12.A N ALA 8.A O no hydrogen 2.956 N/A HIS 12.A NE2 SER 84.A O no hydrogen 3.039 N/A LEU 13.A N LEU 9.A O no hydrogen 3.069 N/A TYR 14.A N ALA 10.A O no hydrogen 3.069 N/A ASP 15.A N LYS 11.A O no hydrogen 3.148 N/A SER 16.A N HIS 12.A O no hydrogen 3.111 N/A SER 16.A OG HIS 12.A O no hydrogen 2.894 N/A TYR 17.A N LEU 13.A O no hydrogen 2.920 N/A TYR 17.A OH ASP 163.A OD1 no hydrogen 2.818 N/A ILE 18.A N TYR 14.A O no hydrogen 2.924 N/A LYS 19.A N ASP 15.A O no hydrogen 3.259 N/A LYS 19.A NZ ASP 15.A OD2 no hydrogen 2.719 N/A SER 20.A N SER 16.A O no hydrogen 2.739 N/A SER 20.A OG SER 16.A O no hydrogen 2.517 N/A PHE 21.A N TYR 17.A O no hydrogen 2.989 N/A LYS 25.A N ASP 163.A OD1 no hydrogen 3.069 N/A LYS 25.A NZ LEU 161.A O no hydrogen 2.989 N/A ALA 26.A N ASP 163.A OD2 no hydrogen 2.960 N/A LYS 27.A N THR 24.A OG1 no hydrogen 3.187 N/A ALA 28.A N THR 24.A O no hydrogen 2.872 N/A ARG 29.A N LYS 25.A O no hydrogen 2.702 N/A ARG 29.A NH2 MET 116.A O no hydrogen 2.860 N/A ALA 30.A N ALA 26.A O no hydrogen 3.122 N/A ILE 31.A N LYS 27.A O no hydrogen 3.038 N/A LEU 32.A N ALA 28.A O no hydrogen 2.914 N/A THR 33.A N ARG 29.A O no hydrogen 2.929 N/A THR 33.A OG1 ARG 29.A O no hydrogen 2.924 N/A SER 39.A OG THR 35.A O no hydrogen 3.007 N/A PHE 41.A N GLN 127.A O no hydrogen 3.149 N/A ILE 43.A N PHE 129.A O no hydrogen 2.868 N/A TYR 44.A N SER 48.A OG no hydrogen 2.846 N/A ASP 45.A N SER 48.A OG no hydrogen 3.016 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.554 N/A SER 48.A OG ASP 45.A O no hydrogen 2.810 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.645 N/A LEU 49.A N ASP 45.A O no hydrogen 2.840 N/A MET 50.A N MET 46.A O no hydrogen 2.786 N/A MET 51.A N ASN 47.A O no hydrogen 2.792 N/A GLY 52.A N SER 48.A O no hydrogen 2.731 N/A GLY 52.A N LEU 49.A O no hydrogen 3.087 N/A ASP 54.A N MET 51.A O no hydrogen 3.196 N/A LYS 55.A N MET 51.A O no hydrogen 3.415 N/A ILE 56.A N GLY 52.A O no hydrogen 2.692 N/A ARG 62.A N GLU 58.A O no hydrogen 2.610 N/A ILE 63.A N VAL 59.A O no hydrogen 3.104 N/A PHE 64.A N ALA 60.A O no hydrogen 3.024 N/A GLN 65.A N ILE 61.A O no hydrogen 2.804 N/A GLY 66.A N ARG 62.A O no hydrogen 2.984 N/A CYS 67.A N ILE 63.A O no hydrogen 3.121 N/A CYS 67.A SG ILE 63.A O no hydrogen 3.799 N/A GLN 68.A N PHE 64.A O no hydrogen 3.132 N/A GLN 68.A NE2 SER 246.A O no hydrogen 3.481 N/A PHE 69.A N GLN 65.A O no hydrogen 3.099 N/A ARG 70.A N GLY 66.A O no hydrogen 3.005 N/A SER 71.A N CYS 67.A O no hydrogen 2.761 N/A VAL 72.A N GLN 68.A O no hydrogen 2.910 N/A GLU 73.A N PHE 69.A O no hydrogen 2.980 N/A ALA 74.A N ARG 70.A O no hydrogen 2.919 N/A VAL 75.A N SER 71.A O no hydrogen 2.921 N/A GLN 76.A N VAL 72.A O no hydrogen 3.215 N/A GLU 77.A N GLU 73.A O no hydrogen 3.138 N/A ILE 78.A N ALA 74.A O no hydrogen 2.737 N/A THR 79.A N VAL 75.A O no hydrogen 2.749 N/A THR 79.A OG1 VAL 75.A O no hydrogen 2.829 N/A GLU 80.A N GLN 76.A O no hydrogen 3.128 N/A TYR 81.A N GLU 77.A O no hydrogen 3.198 N/A TYR 81.A OH ALA 167.A O no hydrogen 2.574 N/A ALA 82.A N ILE 78.A O no hydrogen 2.852 N/A LYS 83.A N THR 79.A O no hydrogen 3.167 N/A LYS 83.A NZ GLU 80.A OE2 no hydrogen 2.925 N/A SER 84.A N GLU 80.A O no hydrogen 3.223 N/A SER 84.A N TYR 81.A O no hydrogen 2.936 N/A SER 84.A OG TYR 81.A O no hydrogen 2.524 N/A ILE 85.A N ALA 82.A O no hydrogen 3.213 N/A PHE 88.A N ILE 85.A O no hydrogen 3.047 N/A LEU 91.A N PHE 88.A O no hydrogen 3.264 N/A ASN 94.A N ASP 92.A OD1 no hydrogen 2.637 N/A ASN 94.A ND2 ASP 92.A OD1 no hydrogen 2.745 N/A GLN 96.A N ASP 92.A O no hydrogen 3.048 N/A VAL 97.A N LEU 93.A O no hydrogen 3.071 N/A THR 98.A N ASN 94.A O no hydrogen 2.875 N/A THR 98.A OG1 ASN 94.A O no hydrogen 3.117 N/A LEU 99.A N ASP 95.A O no hydrogen 2.676 N/A LEU 100.A N GLN 96.A O no hydrogen 2.997 N/A LYS 101.A N VAL 97.A O no hydrogen 3.048 N/A LYS 101.A NZ ASP 257.A OD1 no hydrogen 3.457 N/A TYR 102.A N THR 98.A O no hydrogen 3.293 N/A GLY 103.A N LEU 99.A O no hydrogen 2.791 N/A VAL 104.A N LEU 100.A O no hydrogen 3.129 N/A ILE 107.A N GLY 103.A O no hydrogen 3.129 N/A ILE 108.A N VAL 104.A O no hydrogen 2.874 N/A TYR 109.A N HIS 105.A O no hydrogen 2.787 N/A THR 110.A N GLU 106.A O no hydrogen 3.110 N/A THR 110.A OG1 GLU 106.A O no hydrogen 2.669 N/A MET 111.A N ILE 107.A O no hydrogen 2.823 N/A LEU 112.A N ILE 108.A O no hydrogen 3.018 N/A SER 114.A N MET 111.A O no hydrogen 3.106 N/A SER 114.A OG MET 111.A O no hydrogen 3.193 N/A LEU 115.A N LEU 112.A O no hydrogen 3.063 N/A MET 116.A N LEU 112.A O no hydrogen 3.071 N/A MET 116.A N ALA 113.A O no hydrogen 3.016 N/A ASN 117.A N GLY 120.A O no hydrogen 2.629 N/A GLY 120.A N ASN 117.A O no hydrogen 2.887 N/A GLY 120.A N ASN 117.A OD1 no hydrogen 2.678 N/A VAL 121.A N MET 130.A O no hydrogen 2.862 N/A LEU 122.A N LEU 115.A O no hydrogen 3.380 N/A ILE 123.A N GLY 128.A O no hydrogen 2.825 N/A GLN 127.A N SER 124.A O no hydrogen 3.013 N/A GLY 128.A N ILE 123.A O no hydrogen 3.036 N/A PHE 129.A N PHE 41.A O no hydrogen 2.740 N/A MET 130.A N VAL 121.A O no hydrogen 2.846 N/A THR 131.A N ILE 43.A O no hydrogen 3.145 N/A ARG 132.A N ASP 119.A O no hydrogen 2.758 N/A ARG 132.A NE LYS 118.A O no hydrogen 2.871 N/A ARG 132.A NH1 LYS 118.A O no hydrogen 3.283 N/A ARG 132.A NH2 GLU 147.A OE1 no hydrogen 3.275 N/A GLU 133.A N THR 131.A OG1 no hydrogen 3.174 N/A LEU 135.A N THR 131.A O no hydrogen 3.276 N/A LYS 136.A N ARG 132.A O no hydrogen 3.036 N/A LYS 136.A NZ GLU 133.A OE1 no hydrogen 3.062 N/A SER 137.A N GLU 133.A O no hydrogen 2.834 N/A SER 137.A OG PHE 134.A O no hydrogen 2.583 N/A LEU 138.A N LEU 135.A O no hydrogen 3.426 N/A ARG 139.A NH1 GLU 242.A OE1 no hydrogen 2.856 N/A ARG 139.A NH2 GLU 58.A OE1 no hydrogen 3.267 N/A ARG 139.A NH2 GLU 242.A OE1 no hydrogen 3.567 N/A GLY 143.A N ARG 139.A O no hydrogen 3.264 N/A GLU 147.A N ASP 144.A O no hydrogen 3.190 N/A LYS 149.A N MET 146.A O no hydrogen 2.801 N/A LYS 149.A NZ PHE 145.A O.A no hydrogen 3.444 N/A LYS 149.A NZ HIS 231.A ND1 no hydrogen 3.474 N/A PHE 150.A N MET 146.A O no hydrogen 3.210 N/A GLU 151.A N GLU 147.A O no hydrogen 3.321 N/A PHE 152.A N PRO 148.A O no hydrogen 3.068 N/A ALA 153.A N LYS 149.A O no hydrogen 2.949 N/A VAL 154.A N PHE 150.A O no hydrogen 3.043 N/A LYS 155.A N GLU 151.A O no hydrogen 3.502 N/A PHE 156.A N PHE 152.A O no hydrogen 2.657 N/A ASN 157.A N ALA 153.A O no hydrogen 2.653 N/A ASN 157.A ND2 ALA 113.A O no hydrogen 3.056 N/A ASN 157.A ND2 MET 116.A O no hydrogen 3.270 N/A ALA 158.A N LYS 155.A O no hydrogen 3.008 N/A LEU 159.A N PHE 156.A O no hydrogen 3.102 N/A GLU 160.A N ASN 157.A O no hydrogen 3.010 N/A ASP 162.A N ASP 165.A OD2 no hydrogen 2.711 N/A LEU 166.A N ASP 162.A O no hydrogen 2.911 N/A ALA 167.A N ASP 163.A O no hydrogen 3.031 N/A ILE 168.A N SER 164.A O no hydrogen 3.418 N/A PHE 169.A N ASP 165.A O no hydrogen 3.060 N/A ILE 170.A N LEU 166.A O no hydrogen 2.762 N/A ALA 171.A N ALA 167.A O no hydrogen 3.213 N/A VAL 172.A N ILE 168.A O no hydrogen 3.071 N/A ILE 173.A N PHE 169.A O no hydrogen 3.098 N/A ILE 174.A N ILE 170.A O no hydrogen 3.087 N/A LEU 175.A N ALA 171.A O no hydrogen 3.086 N/A SER 176.A N ILE 174.A O no hydrogen 3.019 N/A SER 176.A OG ILE 173.A O no hydrogen 2.768 N/A ARG 179.A N SER 176.A O no hydrogen 3.441 N/A ARG 179.A NH1 GLU 106.A OE2 no hydrogen 3.243 N/A ARG 179.A NH2 GLU 106.A OE1 no hydrogen 3.041 N/A LEU 183.A N ASP 95.A OD1 no hydrogen 2.674 N/A ASN 184.A N ASP 95.A OD2 no hydrogen 3.077 N/A LYS 186.A NZ ASP 190.A OD1 no hydrogen 3.413 N/A LYS 186.A NZ ASP 190.A OD2 no hydrogen 3.206 N/A GLU 189.A N VAL 185.A O no hydrogen 3.110 N/A ASP 190.A N LYS 186.A O no hydrogen 3.099 N/A ILE 191.A N PRO 187.A O no hydrogen 3.461 N/A GLN 192.A N ILE 188.A O no hydrogen 2.937 N/A ASP 193.A N GLU 189.A O no hydrogen 2.762 N/A ASN 194.A N ASP 190.A O no hydrogen 3.044 N/A LEU 195.A N ILE 191.A O no hydrogen 2.997 N/A LEU 196.A N GLN 192.A O no hydrogen 2.775 N/A GLN 197.A N ASP 193.A O no hydrogen 3.175 N/A ALA 198.A N ASN 194.A O no hydrogen 3.114 N/A LEU 199.A N LEU 195.A O no hydrogen 2.820 N/A GLU 200.A N LEU 196.A O no hydrogen 2.939 N/A LEU 201.A N GLN 197.A O no hydrogen 3.066 N/A GLN 202.A N ALA 198.A O no hydrogen 2.862 N/A GLN 202.A NE2 ASP 165.A OD1 no hydrogen 2.665 N/A LEU 203.A N LEU 199.A O no hydrogen 2.774 N/A LYS 204.A N GLU 200.A O no hydrogen 3.130 N/A LEU 205.A N LEU 201.A O no hydrogen 2.973 N/A ASN 206.A N GLN 202.A O no hydrogen 2.698 N/A ASN 206.A ND2 ASP 162.A OD2 no hydrogen 3.394 N/A HIS 207.A N LEU 203.A O no hydrogen 2.720 N/A HIS 207.A NE2 ASP 165.A OD2 no hydrogen 2.853 N/A SER 210.A N HIS 207.A O no hydrogen 2.940 N/A LYS 216.A N GLN 212.A O no hydrogen 3.065 N/A LYS 216.A NZ SER 211.A O no hydrogen 3.145 N/A LEU 217.A N LEU 213.A O no hydrogen 2.773 N/A LEU 218.A N PHE 214.A O no hydrogen 2.909 N/A GLN 219.A N ALA 215.A O no hydrogen 3.008 N/A LYS 220.A N LYS 216.A O no hydrogen 3.258 N/A LYS 220.A N LEU 217.A O no hydrogen 2.864 N/A MET 221.A N LEU 218.A O no hydrogen 3.081 N/A THR 222.A N GLN 219.A O no hydrogen 3.178 N/A THR 222.A OG1 GLN 219.A O no hydrogen 3.493 N/A ASP 223.A N LYS 220.A O no hydrogen 2.974 N/A LEU 224.A N LYS 220.A O no hydrogen 3.473 N/A ARG 225.A N MET 221.A O no hydrogen 3.179 N/A GLN 226.A N THR 222.A O no hydrogen 3.244 N/A ILE 227.A N ASP 223.A O no hydrogen 2.935 N/A VAL 228.A N LEU 224.A O no hydrogen 3.017 N/A THR 229.A N ARG 225.A O no hydrogen 3.114 N/A THR 229.A OG1 ARG 225.A O no hydrogen 3.048 N/A GLU 230.A N GLN 226.A O no hydrogen 3.112 N/A HIS 231.A N ILE 227.A O no hydrogen 3.039 N/A VAL 232.A N VAL 228.A O no hydrogen 2.900 N/A GLN 233.A N THR 229.A O no hydrogen 3.070 N/A LEU 234.A N GLU 230.A O no hydrogen 2.955 N/A LEU 235.A N HIS 231.A O no hydrogen 2.839 N/A GLN 236.A N VAL 232.A O no hydrogen 3.157 N/A ILE 238.A N LEU 234.A O no hydrogen 3.174 N/A LYS 239.A N LEU 235.A O no hydrogen 3.164 N/A THR 241.A N VAL 237.A O no hydrogen 2.780 N/A THR 241.A OG1 GLU 242.A OE2 no hydrogen 3.346 N/A GLU 242.A N ILE 238.A O no hydrogen 2.724 N/A MET 245.A N GLU 242.A O no hydrogen 3.324 N/A HIS 248.A N GLN 68.A OE1 no hydrogen 3.041 N/A LEU 250.A N HIS 248.A ND1 no hydrogen 3.176 N/A GLN 252.A N HIS 248.A O no hydrogen 2.746 N/A GLU 253.A N PRO 249.A O no hydrogen 2.907 N/A ILE 254.A N LEU 250.A O no hydrogen 3.452 N/A TYR 255.A N LEU 251.A O no hydrogen 3.208 N/A LYS 256.A N GLN 252.A O no hydrogen 3.147 N/A LYS 256.A NZ GLU 253.A OE2 no hydrogen 3.532 N/A