Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nxk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N PHE 2.A O no hydrogen 2.660 N/A HIS 6.A N PRO 3.A O no hydrogen 2.775 N/A VAL 7.A N GLN 4.A O no hydrogen 2.794 N/A LYS 8.A NZ TRP 67.A O no hydrogen 3.401 N/A LYS 8.A NZ GLN 71.A OE1 no hydrogen 3.309 N/A GLN 12.A NE2 ILE 13.A O no hydrogen 3.300 N/A LYS 14.A N VAL 81.A O no hydrogen 2.989 N/A ASN 16.A ND2 ASP 20.A OD1 no hydrogen 3.455 N/A ASN 16.A ND2 ASP 21.A OD1 no hydrogen 3.178 N/A ILE 18.A N ASN 84.A OD1 no hydrogen 2.820 N/A ASP 20.A N ALA 17.A O no hydrogen 2.985 N/A ASP 21.A N ILE 18.A O no hydrogen 2.893 N/A TYR 22.A N ILE 18.A O no hydrogen 3.049 N/A LYS 23.A N PHE 41.A O no hydrogen 2.584 N/A THR 25.A OG1 GLN 39.A O no hydrogen 2.675 N/A SER 26.A OG SER 26.A O no hydrogen 2.306 N/A GLN 27.A N THR 25.A OG1 no hydrogen 3.236 N/A LEU 29.A N VAL 37.A O no hydrogen 2.519 N/A ILE 33.A N ASP 160.A OD2 no hydrogen 2.970 N/A GLY 35.A N GLY 32.A O no hydrogen 3.345 N/A VAL 37.A N GLY 30.A O no hydrogen 2.799 N/A LEU 38.A N LEU 51.A O no hydrogen 2.874 N/A GLN 39.A N GLN 27.A O no hydrogen 3.187 N/A ILE 40.A N PHE 49.A O no hydrogen 2.953 N/A PHE 41.A N LYS 23.A O no hydrogen 2.768 N/A ASN 42.A N GLU 47.A O no hydrogen 2.963 N/A LYS 43.A N ASP 21.A O no hydrogen 3.076 N/A LYS 43.A NZ ILE 19.A O no hydrogen 3.076 N/A LYS 43.A NZ TYR 22.A O no hydrogen 3.301 N/A ARG 44.A NH1 ASP 21.A OD2 no hydrogen 2.891 N/A ARG 44.A NH2 ASP 21.A OD2 no hydrogen 3.437 N/A THR 45.A N ASN 42.A OD1 no hydrogen 2.636 N/A THR 45.A OG1 GLU 47.A OE2 no hydrogen 3.541 N/A GLN 46.A N ASN 42.A O no hydrogen 2.449 N/A LYS 48.A NZ ASP 99.A OD1 no hydrogen 3.032 N/A LYS 48.A NZ ASP 99.A OD2 no hydrogen 3.156 N/A PHE 49.A N ILE 40.A O no hydrogen 2.848 N/A LEU 51.A N LEU 38.A O no hydrogen 2.858 N/A LYS 52.A N ILE 94.A O no hydrogen 3.002 N/A LYS 52.A NZ ILE 33.A O no hydrogen 2.841 N/A LYS 52.A NZ GLU 62.A OE1 no hydrogen 3.295 N/A LYS 52.A NZ GLU 62.A OE2 no hydrogen 2.473 N/A LYS 52.A NZ ASP 160.A OD1 no hydrogen 3.170 N/A ASP 55.A N LYS 90.A O no hydrogen 2.827 N/A CYS 56.A SG GLN 54.A O no hydrogen 3.468 N/A ARG 60.A N CYS 56.A O no hydrogen 2.788 N/A ARG 60.A NE ASP 55.A OD1 no hydrogen 3.214 N/A ARG 60.A NE ASP 55.A OD2 no hydrogen 3.207 N/A ARG 60.A NH1 ASP 55.A OD2 no hydrogen 2.797 N/A ARG 61.A N PRO 57.A O no hydrogen 2.959 N/A GLU 62.A N LYS 58.A O no hydrogen 2.882 N/A VAL 63.A N ALA 59.A O no hydrogen 3.282 N/A LEU 65.A N ARG 61.A O no hydrogen 2.939 N/A HIS 66.A N GLU 62.A O no hydrogen 2.814 N/A TRP 67.A N VAL 63.A O no hydrogen 2.624 N/A TRP 67.A NE1 SER 9.A O no hydrogen 3.274 N/A ARG 68.A N GLU 64.A O no hydrogen 2.968 N/A ARG 68.A NH1 ILE 133.A O no hydrogen 3.408 N/A ALA 69.A N LEU 65.A O no hydrogen 2.936 N/A SER 70.A N TRP 67.A O no hydrogen 3.243 N/A GLN 71.A N ARG 68.A O no hydrogen 3.401 N/A CYS 72.A N ALA 69.A O no hydrogen 3.068 N/A CYS 72.A SG GLU 125.A O no hydrogen 4.016 N/A HIS 74.A ND1 LEU 156.A O no hydrogen 2.881 N/A ILE 75.A N CYS 72.A O no hydrogen 2.950 N/A VAL 76.A N LEU 158.A O no hydrogen 3.004 N/A ARG 77.A N GLU 96.A OE1 no hydrogen 2.736 N/A VAL 79.A N VAL 95.A O no hydrogen 2.785 N/A ASP 80.A N VAL 95.A O no hydrogen 3.391 N/A TYR 82.A N LEU 93.A O no hydrogen 2.793 N/A TYR 82.A OH ASP 21.A OD1 no hydrogen 2.625 N/A GLU 83.A N LYS 14.A O no hydrogen 2.980 N/A ASN 84.A N CYS 91.A O no hydrogen 3.169 N/A ASN 84.A ND2 ASN 16.A O no hydrogen 3.022 N/A TYR 86.A N ARG 89.A O no hydrogen 2.667 N/A ARG 89.A N TYR 86.A O no hydrogen 3.078 N/A CYS 91.A N ASN 84.A O no hydrogen 3.207 N/A CYS 91.A SG ASN 84.A O no hydrogen 4.022 N/A LEU 92.A N LEU 53.A O no hydrogen 2.706 N/A LEU 93.A N TYR 82.A O no hydrogen 2.805 N/A ILE 94.A N LYS 52.A O no hydrogen 2.873 N/A VAL 95.A N ASP 80.A O no hydrogen 2.678 N/A CYS 97.A SG ASP 99.A OD1 no hydrogen 2.930 N/A ASP 99.A N THR 148.A O no hydrogen 2.763 N/A GLY 100.A N TYR 147.A O no hydrogen 2.498 N/A LEU 103.A N LEU 145.A O no hydrogen 3.058 N/A SER 105.A N GLU 102.A O no hydrogen 3.298 N/A ARG 106.A N GLU 102.A O no hydrogen 3.321 N/A ARG 106.A NH2 ARG 151.A O no hydrogen 2.597 N/A ARG 106.A NH2 PRO 152.A O no hydrogen 3.162 N/A ILE 107.A N LEU 103.A O no hydrogen 3.322 N/A GLN 108.A N PHE 104.A O no hydrogen 2.803 N/A ASP 109.A N SER 105.A O no hydrogen 2.873 N/A ASP 109.A N ARG 106.A O no hydrogen 2.954 N/A ARG 110.A NH1 GLU 116.A OE1 no hydrogen 2.929 N/A ARG 110.A NH2 GLU 116.A OE1 no hydrogen 2.972 N/A THR 113.A N GLU 116.A OE2 no hydrogen 2.606 N/A THR 113.A OG1 GLU 116.A OE2 no hydrogen 3.109 N/A GLU 116.A N THR 113.A OG1 no hydrogen 3.226 N/A ALA 117.A N THR 113.A O no hydrogen 3.402 N/A SER 118.A N GLU 114.A O no hydrogen 2.824 N/A SER 118.A OG TRP 259.A O no hydrogen 2.587 N/A SER 118.A OG SER 262.A OG no hydrogen 2.481 N/A GLU 119.A N ARG 115.A O no hydrogen 2.943 N/A ILE 120.A N GLU 116.A O no hydrogen 2.889 N/A SER 122.A N GLU 119.A O no hydrogen 3.281 N/A SER 122.A N ILE 120.A O no hydrogen 2.779 N/A SER 122.A OG GLU 119.A O no hydrogen 3.534 N/A SER 122.A OG ILE 120.A O no hydrogen 2.553 N/A ILE 123.A N ILE 120.A O no hydrogen 3.151 N/A GLU 125.A N LYS 121.A O no hydrogen 3.148 N/A GLU 125.A N SER 122.A O no hydrogen 2.818 N/A ALA 126.A N SER 122.A O no hydrogen 3.335 N/A ILE 127.A N ILE 123.A O no hydrogen 3.060 N/A GLN 128.A N GLY 124.A O no hydrogen 2.694 N/A TYR 129.A N GLU 125.A O no hydrogen 3.070 N/A LEU 130.A N ALA 126.A O no hydrogen 3.044 N/A HIS 131.A N ILE 127.A O no hydrogen 3.062 N/A HIS 131.A NE2 ASP 187.A OD2 no hydrogen 2.725 N/A SER 132.A N GLN 128.A O no hydrogen 3.154 N/A SER 132.A OG GLN 128.A O no hydrogen 3.113 N/A SER 132.A OG TYR 129.A O no hydrogen 2.547 N/A ILE 133.A N TYR 129.A O no hydrogen 3.149 N/A ILE 133.A N LEU 130.A O no hydrogen 2.867 N/A ASN 134.A N HIS 131.A O no hydrogen 3.058 N/A ASN 134.A ND2 THR 167.A O no hydrogen 3.159 N/A ASN 134.A ND2 THR 168.A OG1 no hydrogen 2.969 N/A ILE 135.A N LEU 130.A O no hydrogen 2.860 N/A ALA 136.A N LYS 165.A O no hydrogen 2.867 N/A HIS 137.A N ASP 187.A OD2 no hydrogen 2.898 N/A HIS 137.A NE2 THR 159.A O no hydrogen 3.005 N/A ARG 138.A N ASP 187.A OD1 no hydrogen 2.763 N/A ARG 138.A NE PHE 163.A O no hydrogen 3.022 N/A ARG 138.A NH1 ASP 183.A OD1 no hydrogen 3.083 N/A ARG 138.A NH2 PHE 163.A O no hydrogen 3.251 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 2.744 N/A LYS 141.A NZ ASP 139.A OD2 no hydrogen 3.191 N/A ASN 144.A N LYS 141.A O no hydrogen 2.754 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.757 N/A ASN 144.A ND2 ASP 139.A OD2 no hydrogen 3.149 N/A LEU 145.A N PRO 142.A O no hydrogen 3.179 N/A LEU 146.A N LYS 157.A O no hydrogen 3.155 N/A TYR 147.A N GLY 101.A O no hydrogen 2.921 N/A THR 148.A N ILE 155.A O no hydrogen 3.146 N/A SER 149.A N THR 148.A OG1 no hydrogen 2.664 N/A ARG 151.A N SER 149.A OG no hydrogen 3.396 N/A ALA 154.A N ARG 151.A O no hydrogen 3.384 N/A ILE 155.A N THR 148.A OG1 no hydrogen 3.015 N/A LYS 157.A N LEU 146.A O no hydrogen 3.042 N/A LYS 157.A NZ GLU 96.A OE1 no hydrogen 2.767 N/A LYS 157.A NZ GLU 96.A OE2 no hydrogen 3.206 N/A LEU 158.A N HIS 74.A O no hydrogen 2.788 N/A THR 159.A N ASN 144.A O no hydrogen 2.952 N/A THR 159.A OG1 ASN 144.A O no hydrogen 3.118 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 3.023 N/A ALA 164.A N PHE 161.A O no hydrogen 2.999 N/A LYS 165.A N ALA 136.A O no hydrogen 2.683 N/A THR 167.A N ASN 134.A O no hydrogen 3.009 N/A VAL 172.A N PRO 169.A O no hydrogen 3.227 N/A VAL 176.A N ALA 173.A O no hydrogen 2.883 N/A LEU 177.A N PRO 174.A O no hydrogen 3.117 N/A CYS 186.A SG ASP 183.A O no hydrogen 3.729 N/A ASP 187.A N LYS 184.A O no hydrogen 2.803 N/A SER 189.A N CYS 186.A O no hydrogen 3.040 N/A SER 189.A OG VAL 140.A O no hydrogen 2.819 N/A SER 189.A OG CYS 186.A O no hydrogen 3.404 N/A LEU 190.A N ASP 187.A O no hydrogen 2.940 N/A VAL 192.A N TRP 188.A O no hydrogen 3.104 N/A ILE 193.A N SER 189.A O no hydrogen 2.937 N/A TYR 194.A OH GLU 223.A O no hydrogen 2.531 N/A ILE 195.A N VAL 192.A O no hydrogen 3.146 N/A LEU 196.A N ILE 193.A O no hydrogen 2.798 N/A LEU 197.A N TYR 194.A O no hydrogen 2.710 N/A CYS 198.A N ILE 195.A O no hydrogen 3.355 N/A CYS 198.A SG TYR 200.A O no hydrogen 3.540 N/A GLY 199.A N ILE 195.A O no hydrogen 2.980 N/A LEU 209.A N ASN 206.A O no hydrogen 3.293 N/A SER 212.A OG GLN 221.A OE1 no hydrogen 2.452 N/A ARG 217.A N GLY 214.A O no hydrogen 2.830 N/A ARG 219.A N LYS 215.A O no hydrogen 2.900 N/A GLN 221.A N ARG 217.A O no hydrogen 2.394 N/A TRP 229.A N PRO 225.A O no hydrogen 3.230 N/A SER 230.A N PRO 227.A O no hydrogen 2.622 N/A SER 230.A OG PRO 227.A O no hydrogen 2.507 N/A VAL 232.A N TRP 229.A O no hydrogen 2.995 N/A VAL 236.A N SER 233.A OG no hydrogen 3.019 N/A LYS 237.A N SER 233.A O no hydrogen 2.986 N/A ILE 239.A N VAL 236.A O no hydrogen 3.121 N/A ARG 240.A N LYS 237.A O no hydrogen 2.872 N/A ARG 240.A NH2 TYR 222.A O no hydrogen 3.522 N/A ASN 241.A N LEU 238.A O no hydrogen 3.225 N/A ASN 241.A ND2 ASN 241.A O no hydrogen 3.242 N/A LEU 242.A N ILE 239.A O no hydrogen 3.122 N/A LEU 243.A N ILE 239.A O no hydrogen 2.858 N/A THR 245.A OG1 ARG 219.A O no hydrogen 3.309 N/A THR 248.A N GLU 246.A OE2 no hydrogen 3.137 N/A THR 248.A OG1 GLU 246.A OE2 no hydrogen 2.913 N/A GLN 249.A N GLU 246.A O no hydrogen 2.614 N/A ARG 250.A N PRO 247.A O no hydrogen 2.659 N/A ARG 250.A NE LYS 244.A O no hydrogen 2.805 N/A ARG 250.A NH1 SER 185.A O no hydrogen 2.882 N/A ARG 250.A NH2 LYS 244.A O no hydrogen 3.092 N/A ARG 250.A NH2 THR 245.A O no hydrogen 3.271 N/A THR 251.A N GLU 254.A OE2 no hydrogen 2.527 N/A THR 251.A OG1 GLU 254.A OE2 no hydrogen 2.967 N/A GLU 254.A N THR 251.A OG1 no hydrogen 3.204 N/A PHE 255.A N THR 251.A O no hydrogen 2.943 N/A HIS 257.A N PHE 255.A O no hydrogen 3.044 N/A TRP 259.A N HIS 257.A ND1 no hydrogen 2.996 N/A TRP 259.A NE1 GLU 114.A OE2 no hydrogen 3.294 N/A SER 262.A OG SER 118.A OG no hydrogen 2.481 N/A SER 262.A OG TRP 259.A O no hydrogen 3.306 N/A SER 262.A OG ILE 260.A O no hydrogen 2.685 N/A THR 263.A N GLN 261.A O no hydrogen 2.461 N/A THR 268.A OG1 PRO 269.A O no hydrogen 3.422 N/A LEU 270.A N PHE 112.A O no hydrogen 3.321 N/A THR 272.A OG1 LEU 196.A O no hydrogen 2.852 N/A SER 273.A OG ILE 107.A O no hydrogen 3.212 N/A VAL 275.A N HIS 271.A O no hydrogen 2.657 N/A LEU 276.A N THR 272.A O no hydrogen 2.679 N/A LYS 277.A N SER 273.A O no hydrogen 3.233 N/A GLU 278.A N ARG 274.A O no hydrogen 3.331 N/A ASP 279.A N VAL 275.A O no hydrogen 2.929 N/A ASP 279.A N LEU 276.A O no hydrogen 3.053 N/A