Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N PHE 2.A O no hydrogen 3.151 N/A PHE 7.A N SER 3.A O no hydrogen 2.904 N/A VAL 8.A N ILE 4.A O no hydrogen 2.922 N/A ARG 9.A N THR 5.A O no hydrogen 2.903 N/A ASN 10.A N GLN 6.A O no hydrogen 2.907 N/A GLY 12.A N ARG 9.A O no hydrogen 2.891 N/A LEU 13.A N VAL 8.A O no hydrogen 3.046 N/A LEU 16.A N LEU 13.A O no hydrogen 2.943 N/A MET 17.A N GLU 14.A O no hydrogen 2.927 N/A ILE 19.A N LEU 16.A O no hydrogen 2.917 N/A PHE 20.A N LEU 16.A O no hydrogen 3.396 N/A GLU 21.A N MET 17.A O no hydrogen 2.752 N/A ARG 22.A N ASP 18.A O no hydrogen 2.909 N/A GLU 23.A N ILE 19.A O no hydrogen 2.751 N/A GLN 24.A N GLU 21.A O no hydrogen 3.126 N/A ILE 25.A N PHE 20.A O no hydrogen 2.811 N/A THR 26.A OG1 ASP 28.A OD1 no hydrogen 3.083 N/A THR 26.A OG1 ASP 28.A OD2 no hydrogen 3.373 N/A LEU 30.A N THR 26.A O no hydrogen 2.648 N/A VAL 31.A N LEU 27.A O no hydrogen 2.936 N/A GLU 32.A N VAL 29.A O no hydrogen 3.195 N/A MET 33.A N LEU 30.A O no hydrogen 3.060 N/A GLY 34.A N GLU 37.A OE2 no hydrogen 3.077 N/A LEU 38.A N GLY 34.A O no hydrogen 2.981 N/A LYS 39.A N HIS 35.A O no hydrogen 2.889 N/A GLU 40.A N LYS 36.A O no hydrogen 2.931 N/A ILE 41.A N LEU 38.A O no hydrogen 3.251 N/A GLY 42.A N LYS 39.A O no hydrogen 3.312 N/A ILE 43.A N LEU 38.A O no hydrogen 3.123 N/A ARG 49.A N ALA 45.A O no hydrogen 3.395 N/A ARG 49.A NE HIS 35.A ND1 no hydrogen 3.127 N/A ARG 49.A NH1 ILE 43.A O no hydrogen 2.840 N/A ARG 49.A NH1 ASN 44.A O no hydrogen 2.862 N/A HIS 50.A N TYR 46.A O no hydrogen 2.885 N/A LYS 51.A N GLY 47.A O no hydrogen 2.931 N/A LYS 51.A NZ LEU 11.A O no hydrogen 2.555 N/A LEU 52.A N HIS 48.A O no hydrogen 2.930 N/A ILE 53.A N ARG 49.A O no hydrogen 2.907 N/A LYS 54.A N HIS 50.A O no hydrogen 2.918 N/A GLY 55.A N LYS 51.A O no hydrogen 2.903 N/A VAL 56.A N LEU 52.A O no hydrogen 2.944 N/A GLU 57.A N ILE 53.A O no hydrogen 2.908 N/A ARG 58.A N LYS 54.A O no hydrogen 2.895 N/A LEU 59.A N GLY 55.A O no hydrogen 2.938 N/A ILE 60.A N VAL 56.A O no hydrogen 2.892 N/A SER 61.A N GLU 57.A O no hydrogen 2.823 N/A GLY 62.A N GLU 57.A O no hydrogen 3.153 N/A LEU 66.A N GLN 63.A O no hydrogen 2.974 N/A ASN 67.A N GLN 64.A O no hydrogen 2.855 N/A THR 71.A N ASN 67.A O no hydrogen 3.401 N/A THR 71.A OG1 ASN 67.A O no hydrogen 3.495 N/A LEU 72.A N PRO 68.A O no hydrogen 2.910 N/A ASN 73.A N TYR 69.A O no hydrogen 2.988 N/A THR 74.A N LEU 72.A O no hydrogen 2.967 N/A SER 77.A OG THR 74.A O no hydrogen 2.947 N/A THR 79.A OG1 ILE 166.A O no hydrogen 2.845 N/A ILE 80.A N CYS 127.A O no hydrogen 2.900 N/A ILE 82.A N LYS 125.A O no hydrogen 2.909 N/A LEU 84.A N ILE 123.A O no hydrogen 2.964 N/A ASP 88.A N SER 85.A O no hydrogen 2.901 N/A LYS 89.A NZ LYS 89.A O no hydrogen 3.108 N/A LYS 89.A NZ SER 93.A OG no hydrogen 2.901 N/A GLN 92.A N ASP 88.A O no hydrogen 3.047 N/A GLN 92.A NE2 PRO 86.A O no hydrogen 2.766 N/A SER 93.A N LYS 89.A O no hydrogen 2.906 N/A SER 93.A OG LYS 89.A O no hydrogen 3.479 N/A SER 93.A OG GLU 90.A O no hydrogen 2.916 N/A VAL 94.A N GLU 90.A O no hydrogen 2.976 N/A GLU 95.A N PHE 91.A O no hydrogen 2.903 N/A GLU 96.A N GLN 92.A O no hydrogen 2.830 N/A GLU 97.A N SER 93.A O no hydrogen 2.948 N/A MET 98.A N VAL 94.A O no hydrogen 2.931 N/A GLN 99.A N GLU 95.A O no hydrogen 2.852 N/A GLN 99.A NE2 GLU 95.A OE1 no hydrogen 3.274 N/A GLN 99.A NE2 TYR 118.A O no hydrogen 2.717 N/A SER 100.A N GLU 96.A O no hydrogen 2.884 N/A SER 100.A OG GLU 96.A O no hydrogen 2.657 N/A THR 101.A OG1 GLU 97.A O no hydrogen 2.896 N/A THR 101.A OG1 SER 191.A OG no hydrogen 3.233 N/A ARG 103.A NH1 SER 100.A O no hydrogen 2.970 N/A ARG 103.A NH1 VAL 102.A O no hydrogen 2.816 N/A HIS 105.A NE2 SER 192.A OG no hydrogen 2.792 N/A ALA 111.A N ASP 107.A OD2 no hydrogen 3.091 N/A ILE 114.A N SER 214.A OG no hydrogen 3.128 N/A ASN 116.A N MET 284.A O no hydrogen 2.777 N/A ARG 117.A N MET 284.A O no hydrogen 3.355 N/A TYR 118.A N GLN 99.A OE1 no hydrogen 2.989 N/A TYR 118.A OH SER 191.A OG no hydrogen 2.970 N/A ASN 119.A N GLN 282.A O no hydrogen 2.881 N/A ASN 119.A ND2 GLN 282.A OE1 no hydrogen 3.491 N/A LEU 121.A N THR 280.A O no hydrogen 2.932 N/A LYS 122.A N THR 280.A O no hydrogen 3.498 N/A GLN 124.A N LEU 278.A O no hydrogen 2.822 N/A GLN 124.A NE2 ASP 83.A OD1 no hydrogen 2.624 N/A LYS 125.A N ILE 82.A O no hydrogen 2.858 N/A LYS 125.A NZ GLU 90.A OE2 no hydrogen 2.881 N/A LYS 125.A NZ GLU 276.A OE2 no hydrogen 2.964 N/A LYS 125.A NZ TYR 277.A OH no hydrogen 3.193 N/A VAL 126.A N GLU 276.A O no hydrogen 2.802 N/A CYS 127.A N ILE 80.A O no hydrogen 2.929 N/A ASN 128.A ND2 THR 79.A OG1 no hydrogen 2.558 N/A LEU 131.A N ASN 128.A OD1 no hydrogen 3.327 N/A TRP 132.A N ASN 128.A O no hydrogen 3.002 N/A GLU 133.A N LYS 129.A O no hydrogen 2.887 N/A ARG 134.A N LYS 130.A O no hydrogen 3.001 N/A ARG 134.A NH1 PHE 170.A O no hydrogen 3.570 N/A ARG 134.A NH2 PHE 170.A O no hydrogen 2.976 N/A TYR 135.A N LEU 131.A O no hydrogen 2.924 N/A TYR 135.A OH THR 228.A OG1 no hydrogen 3.216 N/A THR 136.A N TRP 132.A O no hydrogen 2.893 N/A THR 136.A OG1 TRP 132.A O no hydrogen 2.930 N/A HIS 137.A N GLU 133.A O no hydrogen 2.894 N/A ARG 138.A N ARG 134.A O no hydrogen 3.067 N/A ARG 138.A NE GLN 272.A OE1 no hydrogen 3.148 N/A ARG 138.A NH2 GLN 272.A OE1 no hydrogen 3.169 N/A ARG 139.A N TYR 135.A O no hydrogen 2.863 N/A ARG 139.A NH1 GLU 152.A OE1 no hydrogen 3.525 N/A LYS 140.A N THR 136.A O no hydrogen 2.974 N/A GLU 141.A N HIS 137.A O no hydrogen 3.035 N/A VAL 142.A N ARG 138.A O no hydrogen 2.943 N/A SER 143.A N ARG 139.A O no hydrogen 2.898 N/A SER 143.A OG ARG 139.A O no hydrogen 3.552 N/A SER 143.A OG LYS 140.A O no hydrogen 2.980 N/A SER 143.A OG GLU 144.A OE1 no hydrogen 3.291 N/A GLU 144.A N LYS 140.A O no hydrogen 2.962 N/A GLU 145.A N GLU 141.A O no hydrogen 3.022 N/A ASN 146.A N SER 143.A O no hydrogen 2.930 N/A ASN 146.A ND2 HIS 149.A O no hydrogen 2.806 N/A HIS 147.A ND1 HIS 147.A O no hydrogen 2.570 N/A ASN 148.A N SER 143.A O no hydrogen 2.905 N/A HIS 149.A N ASN 146.A O no hydrogen 2.932 N/A ASN 151.A ND2 GLY 230.A O no hydrogen 3.011 N/A ARG 153.A N VAL 227.A O no hydrogen 2.898 N/A ARG 153.A NE ASN 151.A OD1 no hydrogen 2.979 N/A ARG 153.A NH2 ASN 151.A OD1 no hydrogen 3.227 N/A LEU 155.A N CYS 225.A O no hydrogen 2.948 N/A PHE 156.A N ALA 188.A O no hydrogen 2.924 N/A HIS 157.A N LEU 223.A O no hydrogen 2.865 N/A HIS 157.A ND1 TYR 186.A O no hydrogen 2.995 N/A SER 159.A OG GLY 158.A O no hydrogen 2.759 N/A ILE 165.A N PHE 161.A O no hydrogen 2.937 N/A ILE 166.A N VAL 162.A O no hydrogen 2.944 N/A HIS 167.A N ALA 164.A O no hydrogen 3.308 N/A HIS 167.A ND1 ASN 163.A O no hydrogen 2.939 N/A LYS 168.A N ALA 164.A O no hydrogen 2.886 N/A GLY 169.A N ILE 165.A O no hydrogen 2.659 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.357 N/A HIS 174.A N ASP 171.A OD1 no hydrogen 2.760 N/A ALA 175.A N GLU 172.A O no hydrogen 3.179 N/A TYR 176.A N GLY 184.A O no hydrogen 3.379 N/A ILE 177.A N ALA 175.A O no hydrogen 3.014 N/A GLY 179.A N TYR 176.A O no hydrogen 3.083 N/A PHE 181.A N TYR 186.A OH no hydrogen 2.821 N/A ALA 183.A N MET 241.A O no hydrogen 2.920 N/A GLY 184.A N GLY 182.A O no hydrogen 3.080 N/A ILE 185.A N ILE 267.A O no hydrogen 2.869 N/A TYR 186.A OH GLY 182.A O no hydrogen 2.817 N/A PHE 187.A N TYR 265.A O no hydrogen 2.837 N/A ALA 188.A N PHE 156.A O no hydrogen 3.102 N/A ASN 190.A ND2 THR 101.A O no hydrogen 2.813 N/A SER 191.A N THR 101.A OG1 no hydrogen 3.070 N/A SER 191.A OG MET 98.A O no hydrogen 2.767 N/A SER 191.A OG THR 101.A OG1 no hydrogen 3.233 N/A SER 191.A OG TYR 118.A OH no hydrogen 2.970 N/A SER 192.A OG HIS 105.A NE2 no hydrogen 2.792 N/A LYS 193.A NZ GLU 264.A OE2 no hydrogen 2.773 N/A ASN 195.A N SER 191.A O no hydrogen 2.864 N/A ASN 195.A ND2 GLY 112.A O no hydrogen 3.404 N/A GLN 196.A N SER 192.A O no hydrogen 2.966 N/A GLN 196.A N LYS 193.A O no hydrogen 3.275 N/A TYR 197.A N SER 194.A O no hydrogen 2.857 N/A VAL 198.A N ASN 195.A O no hydrogen 3.518 N/A GLY 200.A N TYR 197.A O no hydrogen 2.759 N/A GLY 203.A N GLY 200.A O no hydrogen 2.997 N/A GLY 204.A N ILE 201.A O no hydrogen 2.958 N/A GLY 206.A N GLY 203.A O no hydrogen 2.934 N/A CYS 207.A N ASP 212.A O no hydrogen 2.981 N/A CYS 207.A SG HIS 210.A ND1 no hydrogen 3.654 N/A CYS 207.A SG ASP 212.A O no hydrogen 3.288 N/A LYS 211.A N CYS 207.A O no hydrogen 2.573 N/A ARG 213.A NE GLY 204.A O no hydrogen 2.975 N/A ARG 213.A NH2 GLY 204.A O no hydrogen 2.791 N/A SER 214.A N ASP 212.A OD1 no hydrogen 2.940 N/A SER 214.A OG TYR 216.A OH no hydrogen 3.414 N/A CYS 215.A SG HIS 210.A ND1 no hydrogen 3.590 N/A TYR 216.A OH ILE 114.A O no hydrogen 2.774 N/A ARG 220.A N TYR 281.A O no hydrogen 2.894 N/A ARG 220.A NH1 GLY 112.A O no hydrogen 3.441 N/A ARG 220.A NH1 ASN 195.A OD1 no hydrogen 2.809 N/A ARG 220.A NH2 ARG 213.A O no hydrogen 2.877 N/A ARG 220.A NH2 CYS 215.A O no hydrogen 3.382 N/A GLN 221.A NE2 THR 280.A OG1 no hydrogen 3.081 N/A LEU 222.A N ILE 279.A O no hydrogen 2.866 N/A LEU 223.A N HIS 157.A O no hydrogen 2.943 N/A PHE 224.A N TYR 277.A O no hydrogen 2.943 N/A CYS 225.A N LEU 155.A O no hydrogen 2.853 N/A ARG 226.A N TYR 274.A O no hydrogen 2.910 N/A ARG 226.A NE GLU 152.A OE1 no hydrogen 2.339 N/A ARG 226.A NH1 GLU 276.A OE1 no hydrogen 2.609 N/A VAL 227.A N ARG 153.A O no hydrogen 2.884 N/A THR 228.A N GLN 272.A O no hydrogen 3.244 N/A THR 228.A OG1 TYR 135.A OH no hydrogen 3.216 N/A LEU 229.A N ASN 151.A O no hydrogen 3.040 N/A GLY 230.A N ALA 150.A O no hydrogen 2.891 N/A LYS 231.A N HIS 249.A ND1 no hydrogen 3.201 N/A PHE 233.A N SER 250.A O no hydrogen 2.911 N/A GLN 235.A N THR 252.A O no hydrogen 2.982 N/A MET 239.A N MET 180.A O no hydrogen 2.857 N/A LYS 240.A NZ ILE 177.A O no hydrogen 3.307 N/A LYS 240.A NZ GLY 179.A O no hydrogen 2.903 N/A SER 244.A OG HIS 249.A O no hydrogen 3.467 N/A HIS 248.A N PRO 245.A O no hydrogen 2.909 N/A HIS 248.A ND1 PRO 246.A O no hydrogen 3.042 N/A HIS 249.A N LYS 231.A O no hydrogen 3.134 N/A SER 250.A OG LEU 229.A O no hydrogen 2.577 N/A VAL 251.A N VAL 266.A O no hydrogen 3.031 N/A THR 252.A N PHE 233.A O no hydrogen 3.000 N/A GLY 253.A N GLU 264.A O no hydrogen 2.866 N/A ARG 254.A N GLN 235.A O no hydrogen 3.059 N/A SER 256.A N LEU 260.A O no hydrogen 2.964 N/A GLY 259.A N SER 256.A O no hydrogen 3.394 N/A GLU 264.A N GLY 253.A O no hydrogen 2.921 N/A TYR 265.A N PHE 187.A O no hydrogen 2.922 N/A TYR 265.A OH GLU 189.A OE1 no hydrogen 3.113 N/A VAL 266.A N VAL 251.A O no hydrogen 2.869 N/A ILE 267.A N ILE 185.A O no hydrogen 2.993 N/A TYR 268.A OH PHE 181.A O no hydrogen 2.605 N/A ARG 269.A NE GLU 271.A OE1 no hydrogen 3.194 N/A ARG 269.A NH2 GLU 271.A OE1 no hydrogen 3.079 N/A GLY 270.A N GLU 172.A OE1 no hydrogen 2.652 N/A GLU 271.A N GLU 271.A OE2 no hydrogen 3.160 N/A GLN 272.A N ARG 269.A O no hydrogen 3.049 N/A GLN 272.A NE2 THR 228.A O no hydrogen 2.877 N/A GLN 272.A NE2 HIS 249.A O no hydrogen 3.049 N/A TYR 274.A N ARG 226.A O no hydrogen 2.876 N/A TYR 274.A OH VAL 126.A O no hydrogen 3.004 N/A TYR 277.A N PHE 224.A O no hydrogen 3.028 N/A TYR 277.A OH GLU 90.A OE2 no hydrogen 2.354 N/A LEU 278.A N GLN 124.A O no hydrogen 2.721 N/A ILE 279.A N LEU 222.A O no hydrogen 2.842 N/A THR 280.A N LYS 122.A O no hydrogen 3.042 N/A TYR 281.A N ARG 220.A O no hydrogen 2.886 N/A TYR 281.A OH ASN 195.A OD1 no hydrogen 2.605 N/A GLN 282.A N ASN 119.A O no hydrogen 2.887 N/A GLN 282.A NE2 ILE 217.A O no hydrogen 2.700 N/A MET 284.A N ARG 117.A O no hydrogen 3.006 N/A