Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N SER 21.A OG no hydrogen 2.469 N/A LEU 3.A N LEU 19.A O no hydrogen 2.645 N/A TYR 4.A N LEU 19.A O no hydrogen 3.445 N/A HIS 5.A ND1 ASP 15.A O no hydrogen 2.666 N/A ILE 6.A N ASN 17.A O no hydrogen 2.551 N/A SER 18.A N PHE 26.A O no hydrogen 3.014 N/A LEU 19.A N TYR 4.A O no hydrogen 3.057 N/A PHE 20.A N HIS 24.A O no hydrogen 3.009 N/A SER 21.A N VAL 1.A O no hydrogen 2.637 N/A SER 21.A OG VAL 1.A O no hydrogen 3.098 N/A GLY 23.A N PHE 20.A O no hydrogen 3.110 N/A THR 25.A N THR 34.A O no hydrogen 2.892 N/A THR 25.A OG1 ASN 17.A OD1 no hydrogen 3.323 N/A PHE 26.A N SER 18.A O no hydrogen 3.206 N/A CYS 27.A N LYS 32.A O no hydrogen 2.847 N/A TYR 28.A N GLY 16.A O no hydrogen 3.055 N/A CYS 30.A SG ASN 10.A OD1 no hydrogen 3.818 N/A THR 34.A N THR 25.A O no hydrogen 3.188 N/A THR 36.A OG1 GLY 23.A O no hydrogen 2.489 N/A LYS 37.A NZ LYS 37.A O no hydrogen 2.510 N/A ALA 40.A N THR 36.A O no hydrogen 2.766 N/A SER 41.A N GLU 38.A O no hydrogen 2.645 N/A SER 41.A OG GLU 38.A O no hydrogen 2.450 N/A LYS 42.A N GLU 38.A O no hydrogen 3.329 N/A LYS 42.A NZ GLU 38.A OE1 no hydrogen 3.319 N/A ARG 43.A N ALA 40.A O no hydrogen 3.270 N/A ARG 43.A NH1 LEU 3.A O no hydrogen 2.931 N/A LYS 44.A N SER 41.A O no hydrogen 2.654 N/A THR 52.A N LYS 49.A O no hydrogen 3.200 N/A THR 52.A OG1 LYS 49.A O no hydrogen 2.737 N/A TRP 56.A N GLN 108.A OE1 no hydrogen 2.630 N/A GLU 60.A N ASN 57.A O no hydrogen 2.942 N/A SER 61.A N PHE 58.A O no hydrogen 3.088 N/A SER 61.A OG ASN 57.A O no hydrogen 2.825 N/A ASN 62.A ND2 LYS 87.A O no hydrogen 2.439 N/A ARG 64.A N ILE 85.A O no hydrogen 3.000 N/A ARG 64.A NH1 ASN 62.A O no hydrogen 3.217 N/A SER 66.A OG ALA 67.A O no hydrogen 3.407 N/A ARG 71.A N LEU 68.A O no hydrogen 3.034 N/A GLY 72.A N THR 69.A O no hydrogen 3.261 N/A ILE 73.A N LEU 68.A O no hydrogen 3.104 N/A SER 74.A N GLU 154.A OE2 no hydrogen 2.356 N/A SER 74.A OG GLU 154.A OE2 no hydrogen 2.745 N/A THR 77.A N SER 74.A O no hydrogen 3.186 N/A THR 77.A N SER 74.A OG no hydrogen 3.382 N/A THR 77.A OG1 GLU 154.A OE2 no hydrogen 2.867 N/A CYS 78.A N SER 74.A O no hydrogen 3.034 N/A CYS 78.A SG SER 66.A O no hydrogen 3.518 N/A CYS 78.A SG SER 74.A O no hydrogen 3.465 N/A GLN 79.A N LYS 75.A O no hydrogen 2.611 N/A LYS 80.A N GLU 76.A O no hydrogen 3.242 N/A LYS 80.A N THR 77.A O no hydrogen 2.862 N/A ALA 81.A N THR 77.A O no hydrogen 2.960 N/A GLY 82.A N CYS 78.A O no hydrogen 2.946 N/A TYR 83.A N CYS 78.A O no hydrogen 2.881 N/A TYR 83.A OH GLN 94.A OE1 no hydrogen 2.703 N/A TRP 84.A N VAL 95.A O no hydrogen 2.981 N/A TRP 84.A NE1 ASP 97.A OD2 no hydrogen 3.027 N/A ILE 85.A N ARG 64.A O no hydrogen 2.938 N/A ALA 86.A N TYR 93.A O no hydrogen 2.685 N/A LYS 87.A N SER 61.A O no hydrogen 3.053 N/A VAL 88.A N VAL 91.A O no hydrogen 2.903 N/A TYR 93.A N ALA 86.A O no hydrogen 2.707 N/A GLN 94.A N ARG 111.A O no hydrogen 2.882 N/A VAL 95.A N TRP 84.A O no hydrogen 2.697 N/A ALA 96.A N LYS 109.A O no hydrogen 2.966 N/A ASP 97.A N GLY 82.A O no hydrogen 3.141 N/A TYR 98.A N SER 107.A O no hydrogen 2.738 N/A TYR 98.A OH GLU 146.A OE2 no hydrogen 2.396 N/A ARG 99.A NH1 GLY 103.A O no hydrogen 2.689 N/A ARG 99.A NH2 ASP 97.A OD1 no hydrogen 3.301 N/A ASP 100.A N ASN 104.A O no hydrogen 2.950 N/A ASN 102.A N ASP 100.A OD1 no hydrogen 2.611 N/A GLY 103.A N ASP 100.A O no hydrogen 2.854 N/A ASN 104.A N ASP 100.A OD1 no hydrogen 2.871 N/A ASN 104.A ND2 ASP 100.A OD1 no hydrogen 3.074 N/A ASN 104.A ND2 ASP 100.A OD2 no hydrogen 2.943 N/A VAL 106.A N TYR 98.A O no hydrogen 2.961 N/A SER 107.A N TYR 98.A O no hydrogen 3.178 N/A SER 107.A OG HIS 123.A ND1 no hydrogen 2.891 N/A GLN 108.A N THR 120.A O no hydrogen 3.051 N/A GLN 108.A NE2 TRP 56.A O no hydrogen 3.041 N/A GLN 108.A NE2 ASP 97.A OD2 no hydrogen 2.947 N/A LYS 109.A N ALA 96.A O no hydrogen 3.118 N/A LYS 109.A NZ GLU 146.A OE1 no hydrogen 2.889 N/A LYS 109.A NZ GLU 146.A OE2 no hydrogen 3.354 N/A VAL 110.A N LYS 118.A O no hydrogen 2.760 N/A ARG 111.A N GLN 94.A O no hydrogen 3.146 N/A LYS 115.A N ASP 112.A O no hydrogen 2.802 N/A ASN 116.A N ASP 112.A OD1 no hydrogen 2.713 N/A ASN 116.A ND2 ASP 112.A OD1 no hydrogen 3.202 N/A ASN 116.A ND2 ASP 112.A OD2 no hydrogen 3.169 N/A LYS 118.A N VAL 110.A O no hydrogen 2.819 N/A THR 120.A N GLN 108.A O no hydrogen 3.177 N/A THR 120.A OG1 GLN 108.A OE1 no hydrogen 3.141 N/A GLY 121.A N TYR 53.A O no hydrogen 2.809 N/A SER 122.A N VAL 106.A O no hydrogen 2.879 N/A HIS 123.A ND1 SER 107.A OG no hydrogen 2.891 N/A HIS 123.A NE2 GLY 166.A O no hydrogen 3.227 N/A LYS 124.A N SER 122.A O no hydrogen 2.814 N/A ALA 127.A N LYS 124.A O no hydrogen 3.214 N/A LYS 131.A N LEU 128.A O no hydrogen 2.827 N/A LYS 131.A NZ ASN 179.A OD1 no hydrogen 2.610 N/A LEU 133.A N GLY 130.A O no hydrogen 2.741 N/A TRP 134.A NE1 VAL 162.A O no hydrogen 2.942 N/A LYS 139.A NZ TRP 242.A OXT no hydrogen 2.842 N/A VAL 141.A N PRO 161.A O no hydrogen 2.918 N/A VAL 142.A N ILE 190.A O no hydrogen 3.365 N/A THR 143.A N VAL 163.A O no hydrogen 3.022 N/A THR 143.A OG1 GLY 145.A O no hydrogen 3.314 N/A THR 143.A OG1 VAL 163.A O no hydrogen 3.557 N/A ASP 148.A N GLY 145.A O no hydrogen 2.768 N/A MET 149.A N GLY 145.A O no hydrogen 3.027 N/A LEU 150.A N GLU 146.A O no hydrogen 2.774 N/A THR 151.A N ILE 147.A O no hydrogen 2.905 N/A THR 151.A OG1 ILE 147.A O no hydrogen 3.190 N/A VAL 152.A N ASP 148.A O no hydrogen 3.121 N/A MET 153.A N MET 149.A O no hydrogen 3.218 N/A GLU 154.A N LEU 150.A O no hydrogen 2.871 N/A LEU 155.A N THR 151.A O no hydrogen 3.050 N/A GLN 156.A N MET 153.A O no hydrogen 2.992 N/A ASP 157.A N GLU 154.A O no hydrogen 2.880 N/A CYS 158.A N MET 153.A O no hydrogen 2.801 N/A CYS 158.A SG MET 153.A O no hydrogen 3.905 N/A LYS 159.A N GLN 156.A O no hydrogen 3.358 N/A VAL 163.A N VAL 141.A O no hydrogen 2.920 N/A SER 164.A N PHE 129.A O no hydrogen 2.905 N/A SER 164.A OG GLU 144.A O no hydrogen 3.359 N/A HIS 167.A NE2 HIS 123.A O no hydrogen 3.067 N/A SER 170.A OG HIS 167.A O no hydrogen 3.382 N/A ALA 172.A N ALA 169.A O no hydrogen 2.838 N/A THR 175.A N ALA 171.A O no hydrogen 2.800 N/A THR 175.A OG1 ALA 171.A O no hydrogen 3.526 N/A CYS 176.A N ALA 172.A O no hydrogen 3.238 N/A CYS 176.A SG ALA 172.A O no hydrogen 2.860 N/A ALA 177.A N LYS 173.A O no hydrogen 2.808 N/A ALA 178.A N LYS 174.A O no hydrogen 2.532 N/A ASN 179.A N CYS 176.A O no hydrogen 2.953 N/A ASN 179.A ND2 ASP 126.A O no hydrogen 2.821 N/A ASN 179.A ND2 THR 175.A O no hydrogen 2.924 N/A TYR 180.A N ALA 177.A O no hydrogen 2.998 N/A PHE 183.A N ASN 179.A O no hydrogen 3.013 N/A GLN 185.A N TYR 182.A O no hydrogen 3.040 N/A GLU 187.A N LYS 138.A O no hydrogen 3.030 N/A ILE 189.A N LYS 214.A O no hydrogen 3.097 N/A ILE 190.A N ILE 140.A O no hydrogen 3.050 N/A LEU 191.A N ILE 189.A O no hydrogen 2.949 N/A MET 192.A N VAL 142.A O no hydrogen 3.085 N/A ASP 194.A N GLU 144.A OE1 no hydrogen 2.822 N/A MET 195.A N LYS 223.A O no hydrogen 2.673 N/A GLY 199.A N ASP 196.A OD1 no hydrogen 2.594 N/A ARG 200.A N ASP 196.A O no hydrogen 2.481 N/A ARG 200.A NH1 ALA 218.A O no hydrogen 3.416 N/A LYS 201.A N GLU 197.A O no hydrogen 3.058 N/A ALA 202.A N ALA 198.A O no hydrogen 3.032 N/A VAL 203.A N GLY 199.A O no hydrogen 3.083 N/A GLU 204.A N ARG 200.A O no hydrogen 3.241 N/A GLU 205.A N LYS 201.A O no hydrogen 3.008 N/A ALA 206.A N ALA 202.A O no hydrogen 2.785 N/A ALA 207.A N VAL 203.A O no hydrogen 2.959 N/A GLN 208.A N GLU 204.A O no hydrogen 3.469 N/A LEU 210.A N ALA 206.A O no hydrogen 3.001 N/A LYS 214.A NZ ASP 184.A OD1 no hydrogen 3.148 N/A LYS 214.A NZ PHE 186.A O no hydrogen 3.125 N/A ARG 216.A NH1 TRP 242.A O no hydrogen 3.273 N/A ALA 218.A N LEU 191.A O no hydrogen 3.517 N/A VAL 219.A N GLN 240.A OE1 no hydrogen 2.529 N/A CYS 222.A SG ASN 231.A OD1 no hydrogen 3.592 N/A ASN 226.A ND2 ARG 71.A O no hydrogen 2.599 N/A ASN 226.A ND2 THR 151.A OG1 no hydrogen 2.551 N/A GLU 227.A N ASP 224.A OD1 no hydrogen 2.885 N/A CYS 228.A N ASP 224.A O no hydrogen 2.883 N/A CYS 228.A SG ASP 224.A O no hydrogen 3.715 N/A HIS 229.A N ALA 225.A O no hydrogen 2.843 N/A HIS 229.A NE2 GLY 72.A O no hydrogen 3.062 N/A LEU 230.A N ASN 226.A O no hydrogen 2.836 N/A LEU 230.A N GLU 227.A O no hydrogen 3.193 N/A ASN 231.A N CYS 228.A O no hydrogen 2.403 N/A ASN 231.A ND2 LEU 230.A O no hydrogen 2.352 N/A HIS 233.A ND1 GLU 236.A OE1 no hydrogen 2.570 N/A GLU 236.A N HIS 233.A O no hydrogen 2.928 N/A ILE 237.A N HIS 233.A O no hydrogen 3.432 N/A MET 238.A N ASP 234.A O no hydrogen 2.868 N/A GLU 239.A N ARG 235.A O no hydrogen 2.788 N/A GLN 240.A N GLU 236.A O no hydrogen 3.213 N/A GLN 240.A N ILE 237.A O no hydrogen 3.117 N/A GLN 240.A NE2 VAL 217.A O no hydrogen 3.623 N/A VAL 241.A N MET 238.A O no hydrogen 3.019 N/A