Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 GLU 2.A OE2 no hydrogen 3.416 N/A GLU 6.A N GLU 2.A O no hydrogen 3.343 N/A GLU 6.A N GLU 3.A O no hydrogen 2.962 N/A ARG 7.A N GLU 3.A O no hydrogen 3.306 N/A VAL 8.A N LEU 4.A O no hydrogen 3.007 N/A TRP 9.A N ARG 5.A O no hydrogen 3.197 N/A TRP 9.A NE1 ARG 162.A O no hydrogen 3.301 N/A ASN 10.A N GLU 6.A O no hydrogen 2.916 N/A GLY 11.A N VAL 8.A O no hydrogen 2.754 N/A ILE 13.A N MET 39.A O no hydrogen 3.116 N/A VAL 15.A N ILE 37.A O no hydrogen 3.118 N/A GLU 16.A N TRP 98.A O no hydrogen 2.714 N/A VAL 17.A N CYS 35.A O no hydrogen 3.009 N/A VAL 18.A N LEU 100.A O no hydrogen 2.948 N/A VAL 19.A N LYS 33.A O no hydrogen 3.057 N/A SER 20.A N LEU 102.A O no hydrogen 3.094 N/A SER 20.A OG LEU 102.A O no hydrogen 3.484 N/A ILE 23.A N SER 20.A O no hydrogen 3.119 N/A VAL 24.A N SER 20.A O no hydrogen 3.151 N/A VAL 25.A N THR 59.A O no hydrogen 2.892 N/A THR 28.A OG1 VAL 25.A O no hydrogen 2.962 N/A LYS 33.A N THR 29.A O no hydrogen 3.182 N/A LYS 33.A N LEU 30.A O no hydrogen 3.017 N/A SER 34.A N ALA 31.A O no hydrogen 3.436 N/A SER 34.A OG GLU 16.A OE1 no hydrogen 3.528 N/A SER 34.A OG LEU 30.A O no hydrogen 3.045 N/A ILE 37.A N VAL 15.A O no hydrogen 3.003 N/A MET 39.A N ILE 13.A O no hydrogen 3.111 N/A LEU 40.A N TYR 48.A OH no hydrogen 2.731 N/A ARG 41.A N GLY 11.A O no hydrogen 2.862 N/A ARG 41.A NH1 GLY 87.A O no hydrogen 3.415 N/A ARG 41.A NH1 ASP 91.A OD1 no hydrogen 3.332 N/A ARG 41.A NH1 ASP 91.A OD2 no hydrogen 3.406 N/A ARG 41.A NH2 ASP 91.A OD1 no hydrogen 2.636 N/A PHE 47.A N TYR 44.A O no hydrogen 2.723 N/A TYR 48.A N LEU 45.A O no hydrogen 2.832 N/A LEU 49.A N GLY 46.A O no hydrogen 3.365 N/A VAL 52.A N TYR 48.A O no hydrogen 3.011 N/A VAL 53.A N LEU 49.A O no hydrogen 2.852 N/A ARG 54.A N PRO 50.A O no hydrogen 2.844 N/A LYS 55.A N THR 51.A O no hydrogen 2.964 N/A LEU 56.A N VAL 52.A O no hydrogen 3.204 N/A LEU 56.A N VAL 53.A O no hydrogen 3.208 N/A ALA 57.A N ARG 54.A O no hydrogen 3.202 N/A THR 59.A N LEU 56.A O no hydrogen 2.871 N/A THR 59.A OG1 ASP 32.A O no hydrogen 3.084 N/A ILE 60.A N ALA 57.A O no hydrogen 3.436 N/A LYS 61.A N ILE 23.A O no hydrogen 2.775 N/A TYR 68.A N SER 66.A OG no hydrogen 2.957 N/A ARG 69.A N SER 66.A OG no hydrogen 3.164 N/A ASN 70.A N TYR 108.A OH no hydrogen 2.641 N/A TRP 71.A N TYR 68.A O no hydrogen 3.232 N/A TRP 71.A NE1 SER 66.A O no hydrogen 2.857 N/A TRP 72.A N CYS 103.A O no hydrogen 3.203 N/A TRP 72.A NE1 GLU 74.A OE2 no hydrogen 2.889 N/A GLU 74.A N GLN 101.A O no hydrogen 2.951 N/A TYR 75.A N GLU 78.A O no hydrogen 2.917 N/A GLU 78.A N TYR 75.A O no hydrogen 2.861 N/A VAL 80.A N PHE 73.A O no hydrogen 2.836 N/A TRP 82.A N VAL 80.A O no hydrogen 2.777 N/A TRP 82.A NE1 LEU 113.A O no hydrogen 2.822 N/A GLU 83.A N GLU 83.A OE2 no hydrogen 2.683 N/A TYR 84.A N PRO 81.A O no hydrogen 3.402 N/A CYS 86.A N ALA 43.A O no hydrogen 3.055 N/A CYS 86.A SG ALA 43.A O no hydrogen 3.575 N/A GLY 87.A N ARG 41.A O no hydrogen 2.741 N/A LEU 89.A N PRO 85.A O no hydrogen 3.122 N/A PHE 90.A N CYS 86.A O no hydrogen 2.751 N/A ASP 91.A N GLY 87.A O no hydrogen 2.871 N/A LEU 92.A N VAL 88.A O no hydrogen 3.017 N/A LEU 93.A N LEU 89.A O no hydrogen 2.777 N/A ASN 94.A N PHE 90.A O no hydrogen 3.116 N/A TRP 98.A N ASN 14.A O no hydrogen 2.901 N/A LEU 100.A N GLU 16.A O no hydrogen 2.828 N/A GLN 101.A N GLU 74.A O no hydrogen 2.728 N/A GLN 101.A NE2 GLU 74.A O no hydrogen 3.566 N/A LEU 102.A N VAL 18.A O no hydrogen 2.929 N/A CYS 103.A N TRP 72.A O no hydrogen 3.101 N/A CYS 103.A SG GLN 101.A O no hydrogen 3.816 N/A GLY 105.A N ASN 70.A O no hydrogen 3.156 N/A ILE 112.A N PRO 109.A O no hydrogen 3.193 N/A VAL 116.A N GLN 121.A OE1 no hydrogen 2.533 N/A ASP 117.A N GLN 121.A OE1 no hydrogen 2.679 N/A SER 120.A OG ASP 117.A O no hydrogen 3.195 N/A GLN 121.A N ASP 117.A O no hydrogen 3.289 N/A GLN 121.A NE2 PRO 114.A O no hydrogen 2.820 N/A ILE 122.A N GLY 118.A O no hydrogen 3.032 N/A LYS 123.A N HIS 119.A O no hydrogen 2.652 N/A LYS 123.A NZ GLU 153.A OE1 no hydrogen 3.181 N/A LYS 123.A NZ GLU 153.A OE2 no hydrogen 3.035 N/A ASP 124.A N SER 120.A O no hydrogen 3.076 N/A TYR 125.A N GLN 121.A O no hydrogen 3.136 N/A TRP 126.A N ILE 122.A O no hydrogen 2.842 N/A TRP 126.A NE1 ILE 243.A O no hydrogen 2.723 N/A ARG 127.A N LYS 123.A O no hydrogen 2.722 N/A HIS 128.A N ASP 124.A O no hydrogen 3.032 N/A GLN 129.A N TYR 125.A O no hydrogen 2.953 N/A GLN 129.A N TRP 126.A O no hydrogen 3.017 N/A GLN 129.A NE2 TYR 125.A O no hydrogen 3.267 N/A TRP 130.A N TRP 126.A O no hydrogen 3.149 N/A TRP 130.A NE1 ILE 243.A O no hydrogen 2.907 N/A LYS 131.A N ARG 127.A O no hydrogen 2.852 N/A GLN 132.A N GLN 129.A O no hydrogen 3.007 N/A ALA 133.A N GLN 129.A O no hydrogen 2.768 N/A CYS 134.A N TRP 130.A O no hydrogen 2.901 N/A CYS 134.A SG SER 140.A O no hydrogen 4.032 N/A ILE 136.A N GLN 132.A O no hydrogen 3.247 N/A LEU 137.A N ALA 133.A O no hydrogen 3.124 N/A ASN 138.A N CYS 134.A O no hydrogen 2.628 N/A ASN 138.A ND2 LEU 174.A O no hydrogen 3.058 N/A GLY 139.A N PHE 135.A O no hydrogen 2.616 N/A SER 146.A N LYS 142.A O no hydrogen 2.970 N/A SER 146.A OG LYS 142.A O no hydrogen 2.849 N/A LEU 147.A N ILE 144.A O no hydrogen 3.366 N/A ASP 151.A N SER 148.A O no hydrogen 3.091 N/A PHE 152.A N SER 148.A O no hydrogen 3.146 N/A PHE 152.A N ILE 149.A O no hydrogen 3.129 N/A GLU 153.A N ILE 149.A O no hydrogen 2.831 N/A ASN 154.A N PRO 150.A O no hydrogen 2.908 N/A ASN 154.A ND2 ASP 166.A OD2 no hydrogen 3.498 N/A PHE 155.A N ASP 151.A O no hydrogen 3.216 N/A TRP 156.A N PHE 152.A O no hydrogen 2.816 N/A VAL 157.A N GLU 153.A O no hydrogen 2.941 N/A SER 158.A N ASN 154.A O no hydrogen 3.014 N/A SER 158.A OG PHE 155.A O no hydrogen 2.560 N/A ILE 159.A N TRP 156.A O no hydrogen 2.817 N/A LEU 160.A N VAL 157.A O no hydrogen 2.908 N/A SER 161.A N VAL 157.A O no hydrogen 2.743 N/A SER 161.A OG VAL 157.A O no hydrogen 3.217 N/A ARG 162.A NE ILE 159.A O no hydrogen 3.175 N/A ARG 162.A NH2 ASP 42.A O no hydrogen 2.992 N/A ARG 162.A NH2 ILE 159.A O no hydrogen 3.026 N/A ASN 163.A N SER 158.A O no hydrogen 3.104 N/A ASN 163.A N SER 161.A OG no hydrogen 3.270 N/A ARG 164.A NH1 GLU 2.A OE1 no hydrogen 3.488 N/A ARG 164.A NH2 GLU 2.A OE1 no hydrogen 3.316 N/A ASP 166.A N ASN 163.A OD1 no hydrogen 3.018 N/A PHE 167.A N ASN 163.A O no hydrogen 3.114 N/A MET 168.A N ARG 164.A O no hydrogen 2.815 N/A ALA 169.A N SER 165.A O no hydrogen 2.905 N/A ARG 171.A N PHE 167.A O no hydrogen 3.005 N/A SER 172.A N MET 168.A O no hydrogen 2.993 N/A SER 172.A OG MET 168.A O no hydrogen 2.934 N/A LYS 173.A N ALA 169.A O no hydrogen 3.429 N/A LYS 173.A NZ ASP 151.A OD2 no hydrogen 3.273 N/A LEU 174.A N ARG 171.A O no hydrogen 3.042 N/A PHE 175.A N ARG 171.A O no hydrogen 3.140 N/A LYS 179.A N SER 176.A O no hydrogen 3.122 N/A ALA 180.A N MET 177.A O no hydrogen 3.358 N/A LYS 181.A N LEU 137.A O no hydrogen 3.000 N/A SER 182.A N ILE 136.A O no hydrogen 3.253 N/A SER 182.A OG ILE 136.A O no hydrogen 2.810 N/A LEU 183.A N VAL 199.A O no hydrogen 3.039 N/A ARG 186.A N LEU 247.A O no hydrogen 3.116 N/A ARG 186.A NE GLN 196.A OE1 no hydrogen 2.680 N/A ARG 186.A NH1 GLN 129.A OE1 no hydrogen 3.475 N/A ARG 186.A NH1 TYR 248.A OH no hydrogen 3.002 N/A ARG 186.A NH2 GLN 129.A OE1 no hydrogen 3.041 N/A ARG 186.A NH2 GLN 196.A OE1 no hydrogen 2.982 N/A VAL 187.A N LEU 195.A O no hydrogen 2.831 N/A TRP 188.A N LEU 249.A O no hydrogen 2.879 N/A THR 189.A N ALA 193.A O no hydrogen 2.891 N/A THR 189.A OG1 ASN 191.A OD1 no hydrogen 2.674 N/A THR 189.A OG1 ALA 193.A O no hydrogen 3.332 N/A TYR 192.A N THR 189.A O no hydrogen 3.442 N/A ALA 193.A N THR 189.A OG1 no hydrogen 2.984 N/A LEU 195.A N VAL 187.A O no hydrogen 2.815 N/A VAL 201.A N LYS 181.A O no hydrogen 2.510 N/A VAL 205.A N ASP 231.A O no hydrogen 3.050 N/A ALA 206.A N ILE 229.A O no hydrogen 2.459 N/A GLU 207.A N SER 204.A OG no hydrogen 3.143 N/A LEU 208.A N SER 204.A O no hydrogen 2.789 N/A LEU 209.A N VAL 205.A O no hydrogen 2.862 N/A ASP 210.A N ALA 206.A O no hydrogen 3.129 N/A SER 211.A N GLU 207.A O no hydrogen 3.427 N/A SER 211.A OG GLU 207.A O no hydrogen 2.995 N/A SER 211.A OG LEU 208.A O no hydrogen 2.571 N/A ILE 212.A N LEU 209.A O no hydrogen 2.876 N/A LYS 213.A N ASP 210.A O no hydrogen 2.858 N/A LEU 214.A N LEU 209.A O no hydrogen 3.078 N/A SER 215.A OG ASP 210.A OD1 no hydrogen 2.590 N/A VAL 220.A N VAL 227.A O no hydrogen 2.887 N/A ILE 221.A N VAL 250.A O no hydrogen 2.932 N/A ILE 222.A N ILE 225.A O no hydrogen 3.011 N/A GLN 223.A NE2 ASP 42.A OD2 no hydrogen 2.932 N/A GLN 223.A NE2 PHE 240.A O no hydrogen 3.199 N/A GLY 224.A N ASP 91.A OD2 no hydrogen 2.762 N/A ILE 225.A N ILE 222.A O no hydrogen 2.724 N/A VAL 227.A N VAL 220.A O no hydrogen 2.877 N/A ILE 229.A N LYS 218.A O no hydrogen 2.787 N/A ASP 231.A N SER 228.A O no hydrogen 3.070 N/A ILE 233.A N LEU 203.A O no hydrogen 3.235 N/A LEU 236.A N ASN 232.A O no hydrogen 2.799 N/A TYR 237.A N ILE 233.A O no hydrogen 2.902 N/A TYR 237.A OH GLY 245.A O no hydrogen 2.776 N/A ASP 238.A N PHE 234.A O no hydrogen 3.377 N/A ILE 239.A N GLU 235.A O no hydrogen 3.212 N/A PHE 240.A N LEU 236.A O no hydrogen 2.815 N/A ALA 241.A N TYR 237.A O no hydrogen 3.175 N/A SER 242.A N PHE 246.A O no hydrogen 2.771 N/A SER 242.A OG PHE 246.A O no hydrogen 3.546 N/A ILE 243.A N ASP 42.A OD1 no hydrogen 2.503 N/A GLY 245.A N SER 242.A O no hydrogen 2.832 N/A PHE 246.A N ASP 244.A OD2 no hydrogen 3.080 N/A LEU 247.A N PRO 184.A O no hydrogen 3.078 N/A TYR 248.A OH ASP 244.A OD1 no hydrogen 2.653 N/A LEU 249.A N ARG 186.A O no hydrogen 2.972 N/A VAL 250.A N ILE 221.A O no hydrogen 2.969 N/A THR 251.A N TRP 188.A O no hydrogen 3.417 N/A THR 251.A OG1 TRP 188.A O no hydrogen 2.565 N/A LYS 252.A NZ ASP 226.A OD1 no hydrogen 2.708 N/A