Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 6.A OD2 no hydrogen 2.724 N/A ASP 6.A N ALA 3.A O no hydrogen 3.315 N/A PHE 7.A N LEU 4.A O no hydrogen 3.015 N/A GLU 8.A N ARG 25.A O no hydrogen 3.242 N/A GLY 10.A N LEU 23.A O no hydrogen 2.697 N/A LEU 13.A N VAL 21.A O no hydrogen 2.804 N/A ASN 20.A N VAL 37.A O no hydrogen 3.308 N/A ASN 20.A ND2 TYR 22.A OH no hydrogen 2.588 N/A VAL 21.A N GLY 14.A O no hydrogen 2.990 N/A TYR 22.A N LEU 35.A O no hydrogen 2.810 N/A LEU 23.A N ARG 11.A O no hydrogen 3.016 N/A ALA 24.A N LEU 33.A O no hydrogen 2.916 N/A ARG 25.A N GLU 8.A O no hydrogen 3.102 N/A ARG 25.A NH2 GLU 8.A OE1 no hydrogen 2.858 N/A GLU 26.A N PHE 31.A O no hydrogen 3.131 N/A LYS 27.A N ASP 6.A O no hydrogen 2.952 N/A LYS 27.A NZ GLU 5.A O no hydrogen 2.643 N/A GLN 28.A N GLU 26.A OE1 no hydrogen 2.558 N/A SER 29.A N GLU 26.A O no hydrogen 3.119 N/A SER 29.A N GLU 26.A OE1 no hydrogen 3.332 N/A LYS 30.A N GLU 26.A O no hydrogen 2.837 N/A PHE 31.A N SER 29.A OG no hydrogen 2.939 N/A LEU 33.A N ALA 24.A O no hydrogen 2.939 N/A ALA 34.A N LEU 84.A O no hydrogen 2.741 N/A LEU 35.A N TYR 22.A O no hydrogen 2.718 N/A LYS 36.A N LEU 82.A O no hydrogen 3.095 N/A VAL 37.A N ASN 20.A O no hydrogen 2.835 N/A LEU 38.A N VAL 80.A O no hydrogen 2.839 N/A LEU 43.A N LYS 40.A O no hydrogen 2.937 N/A GLU 44.A N LYS 40.A O no hydrogen 3.215 N/A LYS 45.A N ALA 41.A O no hydrogen 3.401 N/A GLY 47.A N GLU 44.A O no hydrogen 2.673 N/A VAL 48.A N LEU 43.A O no hydrogen 3.268 N/A GLN 51.A N VAL 48.A O no hydrogen 2.746 N/A GLN 51.A NE2 GLY 150.A O no hydrogen 3.074 N/A LEU 52.A N GLU 49.A O no hydrogen 3.148 N/A ARG 53.A N GLU 49.A O no hydrogen 3.077 N/A GLU 55.A N GLN 51.A O no hydrogen 2.959 N/A VAL 56.A N LEU 52.A O no hydrogen 2.949 N/A GLU 57.A N ARG 53.A O no hydrogen 2.967 N/A ILE 58.A N ARG 54.A O no hydrogen 2.991 N/A GLN 59.A N GLU 55.A O no hydrogen 2.644 N/A SER 60.A N VAL 56.A O no hydrogen 2.884 N/A HIS 61.A N GLU 57.A O no hydrogen 3.441 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.747 N/A ARG 63.A NH1 SER 60.A O no hydrogen 2.998 N/A ARG 63.A NH1 LEU 62.A O no hydrogen 2.677 N/A ARG 63.A NH2 SER 60.A O no hydrogen 3.558 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 3.172 N/A ASN 66.A ND2 LEU 144.A O no hydrogen 3.183 N/A ILE 67.A N HIS 64.A O no hydrogen 3.429 N/A LEU 68.A N ILE 146.A O no hydrogen 2.816 N/A ARG 69.A N GLU 85.A OE2 no hydrogen 3.211 N/A ARG 69.A NE LEU 70.A O no hydrogen 3.490 N/A LEU 70.A N GLN 59.A O no hydrogen 3.346 N/A TYR 71.A N ILE 83.A O no hydrogen 2.750 N/A ASP 76.A N ARG 79.A O no hydrogen 3.343 N/A THR 78.A OG1 ASP 76.A OD1 no hydrogen 2.892 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 3.000 N/A ARG 79.A NE TYR 81.A OH no hydrogen 3.179 N/A VAL 80.A N LEU 38.A O no hydrogen 2.666 N/A TYR 81.A N PHE 74.A O no hydrogen 2.949 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 2.436 N/A LEU 82.A N LYS 36.A O no hydrogen 2.920 N/A ILE 83.A N GLY 72.A O no hydrogen 2.963 N/A LEU 84.A N ALA 34.A O no hydrogen 2.630 N/A GLU 85.A N ARG 69.A O no hydrogen 2.781 N/A LEU 89.A N LEU 138.A O no hydrogen 2.965 N/A GLY 90.A N ALA 87.A O no hydrogen 3.193 N/A VAL 92.A N LEU 136.A O no hydrogen 2.703 N/A ARG 94.A N THR 91.A OG1 no hydrogen 2.796 N/A GLU 95.A N THR 91.A O no hydrogen 3.470 N/A LEU 96.A N VAL 92.A O no hydrogen 3.104 N/A GLN 97.A N TYR 93.A O no hydrogen 3.049 N/A LYS 98.A N ARG 94.A O no hydrogen 2.830 N/A LYS 98.A NZ GLU 95.A OE1 no hydrogen 3.169 N/A LYS 98.A NZ GLU 95.A OE2 no hydrogen 3.457 N/A LEU 99.A N GLU 95.A O no hydrogen 2.696 N/A SER 100.A OG LEU 99.A O no hydrogen 2.806 N/A LYS 101.A N LEU 99.A O no hydrogen 2.588 N/A PHE 102.A N PHE 187.A O no hydrogen 2.741 N/A ARG 106.A N ASP 103.A OD1 no hydrogen 2.797 N/A THR 107.A N ASP 103.A O no hydrogen 2.908 N/A THR 107.A OG1 ASP 103.A O no hydrogen 3.109 N/A ALA 108.A N GLU 104.A O no hydrogen 2.942 N/A THR 109.A N GLN 105.A O no hydrogen 2.969 N/A THR 109.A OG1 GLN 105.A O no hydrogen 2.400 N/A TYR 110.A N ARG 106.A O no hydrogen 2.840 N/A ILE 111.A N THR 107.A O no hydrogen 2.768 N/A THR 112.A N ALA 108.A O no hydrogen 2.654 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.762 N/A GLU 113.A N THR 109.A O no hydrogen 3.049 N/A LEU 114.A N TYR 110.A O no hydrogen 2.991 N/A ALA 115.A N ILE 111.A O no hydrogen 2.887 N/A ASN 116.A N THR 112.A O no hydrogen 2.943 N/A ALA 117.A N GLU 113.A O no hydrogen 3.220 N/A LEU 118.A N LEU 114.A O no hydrogen 2.668 N/A SER 119.A N ALA 115.A O no hydrogen 2.692 N/A TYR 120.A N ASN 116.A O no hydrogen 2.664 N/A CYS 121.A N ALA 117.A O no hydrogen 2.977 N/A HIS 122.A N LEU 118.A O no hydrogen 2.737 N/A HIS 122.A NE2 ASP 176.A OD2 no hydrogen 3.172 N/A SER 123.A N SER 119.A O no hydrogen 3.082 N/A SER 123.A OG TYR 120.A O no hydrogen 2.806 N/A ARG 125.A N HIS 122.A O no hydrogen 3.160 N/A ARG 125.A NH1 GLU 173.A OE1 no hydrogen 3.533 N/A VAL 126.A N CYS 121.A O no hydrogen 2.923 N/A ILE 127.A N VAL 153.A O no hydrogen 3.020 N/A HIS 128.A N ASP 176.A OD2 no hydrogen 2.890 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 2.762 N/A ARG 129.A N ASP 176.A OD1 no hydrogen 2.958 N/A ARG 129.A NE TRP 151.A O no hydrogen 3.195 N/A ARG 129.A NH1 HIS 171.A NE2 no hydrogen 3.020 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.945 N/A LYS 132.A NZ ASP 130.A OD1 no hydrogen 3.377 N/A ASN 135.A N LYS 132.A O no hydrogen 2.590 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.371 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.902 N/A LEU 136.A N PRO 133.A O no hydrogen 2.708 N/A LEU 137.A N LYS 145.A O no hydrogen 2.970 N/A GLY 139.A N GLU 143.A O no hydrogen 2.799 N/A GLY 142.A N GLY 139.A O no hydrogen 2.612 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.313 N/A LEU 144.A N GLU 113.A OE1 no hydrogen 3.022 N/A LYS 145.A N LEU 137.A O no hydrogen 2.738 N/A LYS 145.A NZ PRO 65.A O no hydrogen 3.344 N/A LYS 145.A NZ GLU 85.A OE1 no hydrogen 2.708 N/A LYS 145.A NZ GLU 85.A OE2 no hydrogen 3.103 N/A ILE 146.A N ASN 66.A O no hydrogen 3.070 N/A ALA 147.A N ASN 135.A O no hydrogen 2.952 N/A PHE 149.A N GLN 59.A OE1 no hydrogen 3.349 N/A SER 152.A OG ILE 127.A O no hydrogen 2.793 N/A VAL 153.A N ILE 127.A O no hydrogen 3.071 N/A THR 157.A OG1 ASP 159.A OD2 no hydrogen 3.168 N/A ASP 159.A N THR 157.A OG1 no hydrogen 3.284 N/A TYR 160.A OH GLU 186.A OE1 no hydrogen 2.212 N/A TYR 160.A OH GLU 186.A OE2 no hydrogen 3.081 N/A LEU 161.A N LEU 158.A O no hydrogen 2.928 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.554 N/A MET 165.A N PRO 162.A O no hydrogen 2.836 N/A ILE 166.A N PRO 162.A O no hydrogen 3.129 N/A GLU 167.A N PRO 163.A O no hydrogen 2.912 N/A GLY 168.A N MET 165.A O no hydrogen 3.034 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.747 N/A LYS 174.A NZ ARG 236.A O no hydrogen 2.572 N/A LYS 174.A NZ PRO 237.A O no hydrogen 3.524 N/A VAL 175.A N ASP 172.A O no hydrogen 3.076 N/A ASP 176.A N GLU 173.A O no hydrogen 3.260 N/A LEU 177.A N LYS 174.A O no hydrogen 3.154 N/A TRP 178.A N VAL 175.A O no hydrogen 2.798 N/A SER 179.A N VAL 175.A O no hydrogen 3.092 N/A SER 179.A OG TYR 160.A O no hydrogen 2.917 N/A LEU 180.A N ASP 176.A O no hydrogen 3.054 N/A GLY 181.A N LEU 177.A O no hydrogen 3.352 N/A VAL 182.A N TRP 178.A O no hydrogen 2.875 N/A LEU 183.A N SER 179.A O no hydrogen 2.628 N/A CYS 184.A N GLY 181.A O no hydrogen 2.705 N/A TYR 185.A N GLY 181.A O no hydrogen 3.012 N/A TYR 185.A OH THR 212.A O no hydrogen 2.614 N/A GLU 186.A N VAL 182.A O no hydrogen 2.791 N/A PHE 187.A N LEU 183.A O no hydrogen 3.243 N/A PHE 187.A N CYS 184.A O no hydrogen 3.175 N/A LEU 188.A N TYR 185.A O no hydrogen 2.944 N/A VAL 189.A N TYR 185.A O no hydrogen 2.927 N/A GLY 190.A N GLU 186.A O no hydrogen 3.283 N/A GLU 195.A N PRO 192.A O no hydrogen 2.916 N/A GLN 200.A N THR 198.A OG1 no hydrogen 3.261 N/A GLU 201.A N THR 198.A OG1 no hydrogen 3.047 N/A THR 202.A N THR 198.A O no hydrogen 3.180 N/A THR 202.A OG1 THR 198.A O no hydrogen 2.504 N/A TYR 203.A N TYR 199.A O no hydrogen 3.120 N/A LYS 204.A N GLN 200.A O no hydrogen 3.213 N/A ARG 205.A N GLU 201.A O no hydrogen 3.058 N/A ARG 205.A NH1 GLU 195.A O no hydrogen 3.065 N/A ARG 205.A NH2 GLU 210.A O no hydrogen 2.790 N/A ILE 206.A N THR 202.A O no hydrogen 2.992 N/A SER 207.A N TYR 203.A O no hydrogen 2.938 N/A SER 207.A OG TYR 203.A O no hydrogen 3.288 N/A ARG 208.A N LYS 204.A O no hydrogen 2.958 N/A VAL 209.A N ILE 206.A O no hydrogen 3.045 N/A GLU 210.A N ARG 205.A O no hydrogen 3.088 N/A VAL 217.A N PRO 214.A O no hydrogen 3.087 N/A THR 218.A OG1 GLU 104.A OE2 no hydrogen 2.673 N/A ARG 222.A N THR 218.A O no hydrogen 3.097 N/A ARG 222.A NE VAL 217.A O no hydrogen 2.884 N/A ARG 222.A NH2 PRO 214.A O no hydrogen 3.084 N/A ASP 223.A N GLY 220.A O no hydrogen 3.299 N/A LEU 224.A N GLY 220.A O no hydrogen 3.239 N/A ILE 225.A N ALA 221.A O no hydrogen 2.904 N/A SER 226.A N ARG 222.A O no hydrogen 3.205 N/A SER 226.A OG ARG 222.A O no hydrogen 2.580 N/A ARG 227.A N ASP 223.A O no hydrogen 3.102 N/A ARG 227.A NE ASP 223.A OD1 no hydrogen 3.426 N/A ARG 227.A NE ASP 223.A OD2 no hydrogen 2.870 N/A LEU 228.A N LEU 224.A O no hydrogen 3.021 N/A LEU 229.A N ILE 225.A O no hydrogen 2.855 N/A SER 234.A OG ASN 232.A OD1 no hydrogen 2.553 N/A GLN 235.A N ASN 232.A O no hydrogen 3.246 N/A ARG 236.A N PRO 233.A O no hydrogen 3.063 N/A ARG 236.A NE LYS 230.A O no hydrogen 3.157 N/A ARG 236.A NH1 GLU 164.A OE2 no hydrogen 2.879 N/A ARG 236.A NH1 LYS 174.A O no hydrogen 2.894 N/A ARG 236.A NH2 GLU 164.A OE1 no hydrogen 3.365 N/A ARG 236.A NH2 GLU 164.A OE2 no hydrogen 2.937 N/A ARG 236.A NH2 LYS 230.A O no hydrogen 3.293 N/A MET 238.A N GLU 241.A OE1 no hydrogen 2.733 N/A VAL 242.A N MET 238.A O no hydrogen 2.870 N/A LEU 243.A N LEU 239.A O no hydrogen 3.086 N/A GLU 244.A N ARG 240.A O no hydrogen 3.163 N/A GLU 244.A N GLU 241.A O no hydrogen 3.115 N/A HIS 245.A N VAL 242.A O no hydrogen 2.753 N/A HIS 245.A NE2 ASP 223.A OD2 no hydrogen 2.854 N/A TRP 247.A N HIS 245.A ND1 no hydrogen 3.130 N/A TRP 247.A NE1 GLU 104.A OE2 no hydrogen 2.781 N/A ILE 248.A N HIS 245.A O no hydrogen 2.857 N/A THR 249.A N HIS 245.A O no hydrogen 3.176 N/A THR 249.A OG1 HIS 245.A O no hydrogen 3.190 N/A THR 249.A OG1 PRO 246.A O no hydrogen 2.722 N/A ALA 250.A N PRO 246.A O no hydrogen 3.148 N/A ASN 251.A N ILE 248.A O no hydrogen 3.231 N/A ASN 251.A ND2 TRP 247.A O no hydrogen 2.703 N/A SER 252.A N ILE 248.A O no hydrogen 2.744 N/A SER 252.A OG THR 112.A OG1 no hydrogen 3.269 N/A SER 253.A N THR 109.A OG1 no hydrogen 3.067 N/A LYS 254.A N SER 252.A OG no hydrogen 2.948 N/A