Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ni2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N GLN 20.A OE1 no hydrogen 2.913 N/A ILE 4.A N ILE 19.A O no hydrogen 2.829 N/A ASN 5.A ND2 ASN 73.A OD1 no hydrogen 3.280 N/A VAL 6.A N PHE 17.A O no hydrogen 2.995 N/A ARG 7.A N LEU 75.A O no hydrogen 2.824 N/A ARG 7.A NH1 GLN 76.A OE1 no hydrogen 2.789 N/A VAL 8.A N LEU 15.A O no hydrogen 2.642 N/A THR 9.A N PHE 77.A O no hydrogen 2.875 N/A THR 10.A N ALA 13.A O no hydrogen 2.740 N/A THR 10.A OG1 ASP 12.A OD1 no hydrogen 3.311 N/A ASP 12.A N THR 10.A OG1 no hydrogen 3.284 N/A ALA 13.A N THR 10.A O no hydrogen 3.528 N/A LEU 15.A N VAL 8.A O no hydrogen 2.726 N/A PHE 17.A N VAL 6.A O no hydrogen 2.950 N/A ILE 19.A N ILE 4.A O no hydrogen 3.077 N/A GLN 20.A N THR 23.A OG1 no hydrogen 2.846 N/A GLN 20.A NE2 PRO 1.A O no hydrogen 3.277 N/A THR 23.A N GLN 20.A O no hydrogen 2.726 N/A THR 23.A OG1 GLN 20.A O no hydrogen 2.975 N/A THR 24.A N GLN 27.A OE1 no hydrogen 2.691 N/A THR 24.A OG1 GLN 27.A OE1 no hydrogen 3.313 N/A GLY 25.A N LYS 62.A O no hydrogen 3.382 N/A LYS 26.A N LEU 60.A O no hydrogen 2.851 N/A GLN 27.A N THR 24.A OG1 no hydrogen 2.930 N/A LEU 28.A N THR 24.A O no hydrogen 2.806 N/A PHE 29.A N GLY 25.A O no hydrogen 2.486 N/A ASP 30.A N LYS 26.A O no hydrogen 2.832 N/A VAL 32.A N LEU 28.A O no hydrogen 3.157 N/A VAL 33.A N PHE 29.A O no hydrogen 2.955 N/A LYS 34.A N ASP 30.A O no hydrogen 2.853 N/A THR 35.A N GLN 31.A O no hydrogen 2.940 N/A THR 35.A OG1 GLN 31.A O no hydrogen 2.422 N/A ILE 36.A N VAL 32.A O no hydrogen 3.289 N/A LEU 38.A N VAL 33.A O no hydrogen 3.103 N/A ARG 39.A N GLN 94.A OE1 no hydrogen 2.573 N/A GLU 40.A N GLN 94.A OE1 no hydrogen 3.289 N/A PHE 44.A N VAL 41.A O no hydrogen 3.357 N/A GLY 45.A N ARG 80.A O no hydrogen 3.054 N/A HIS 47.A N LYS 78.A O no hydrogen 2.821 N/A TYR 48.A N THR 56.A O no hydrogen 2.521 N/A ASP 50.A N PHE 54.A O no hydrogen 2.937 N/A ASN 51.A N GLU 68.A O no hydrogen 3.079 N/A LYS 52.A N ASP 50.A OD1 no hydrogen 2.773 N/A LYS 52.A NZ GLU 68.A OE1 no hydrogen 2.904 N/A GLY 53.A N ASP 50.A O no hydrogen 2.593 N/A PHE 54.A N ASP 50.A OD1 no hydrogen 2.913 N/A THR 56.A N TYR 48.A O no hydrogen 2.655 N/A THR 56.A OG1 PHE 54.A O no hydrogen 2.736 N/A LEU 58.A N LEU 46.A O no hydrogen 2.743 N/A LYS 59.A N GLN 67.A OE1 no hydrogen 2.972 N/A LYS 63.A NZ ASN 22.A O no hydrogen 3.186 N/A VAL 64.A N THR 23.A O no hydrogen 2.994 N/A SER 65.A OG PRO 21.A O no hydrogen 2.632 N/A ALA 66.A N LYS 63.A O no hydrogen 2.638 N/A GLN 67.A N VAL 64.A O no hydrogen 3.170 N/A GLN 67.A NE2 LYS 59.A O no hydrogen 3.308 N/A GLN 67.A NE2 LYS 63.A O no hydrogen 3.338 N/A VAL 69.A N GLN 67.A O no hydrogen 2.990 N/A ARG 70.A N VAL 49.A O no hydrogen 3.041 N/A ARG 70.A NE GLU 72.A OE2 no hydrogen 3.089 N/A LEU 75.A N ASN 5.A O no hydrogen 2.869 N/A PHE 77.A N ARG 7.A O no hydrogen 2.798 N/A LYS 78.A N HIS 47.A O no hydrogen 3.006 N/A PHE 79.A N THR 9.A O no hydrogen 2.819 N/A ARG 80.A N GLY 45.A O no hydrogen 3.028 N/A ARG 80.A NH1 PHE 79.A O no hydrogen 3.173 N/A ALA 81.A N GLN 104.A OE1 no hydrogen 2.553 N/A LYS 82.A N TYR 43.A O no hydrogen 2.711 N/A LYS 82.A NZ GLN 281.A OE1 no hydrogen 2.738 N/A PHE 83.A N TYR 43.A O no hydrogen 3.088 N/A GLU 86.A N GLU 91.A OE1 no hydrogen 2.882 N/A ASP 87.A N GLU 91.A OE1 no hydrogen 2.989 N/A VAL 88.A N GLN 195.A OE1 no hydrogen 2.913 N/A GLU 90.A N ASP 87.A O no hydrogen 3.139 N/A GLU 91.A N ASP 87.A O no hydrogen 2.914 N/A LEU 92.A N VAL 88.A O no hydrogen 3.209 N/A ILE 93.A N GLU 40.A OE2 no hydrogen 2.686 N/A GLN 94.A N GLU 40.A OE1 no hydrogen 2.568 N/A GLN 94.A NE2 GLY 37.A O no hydrogen 2.749 N/A THR 97.A OG1 GLU 40.A OE1 no hydrogen 2.627 N/A GLN 98.A N GLN 94.A O no hydrogen 3.080 N/A GLN 98.A NE2 GLN 94.A O no hydrogen 3.689 N/A LYS 99.A N ASP 95.A O no hydrogen 2.704 N/A LYS 99.A NZ ASP 12.A OD2 no hydrogen 2.510 N/A LEU 100.A N ILE 96.A O no hydrogen 2.837 N/A PHE 101.A N THR 97.A O no hydrogen 3.106 N/A PHE 102.A N GLN 98.A O no hydrogen 2.823 N/A LEU 103.A N LYS 99.A O no hydrogen 2.984 N/A GLN 104.A N LEU 100.A O no hydrogen 3.217 N/A GLN 104.A NE2 ALA 81.A O no hydrogen 2.829 N/A VAL 105.A N PHE 101.A O no hydrogen 2.962 N/A LYS 106.A N PHE 102.A O no hydrogen 2.931 N/A GLU 107.A N LEU 103.A O no hydrogen 2.950 N/A GLY 108.A N GLN 104.A O no hydrogen 3.146 N/A ILE 109.A N VAL 105.A O no hydrogen 2.942 N/A LEU 110.A N LYS 106.A O no hydrogen 2.872 N/A SER 111.A N GLU 107.A O no hydrogen 3.004 N/A SER 111.A OG GLU 107.A O no hydrogen 2.447 N/A ASP 112.A N ILE 109.A O no hydrogen 3.176 N/A GLU 113.A N GLY 108.A O no hydrogen 2.998 N/A ILE 114.A N GLY 108.A O no hydrogen 3.223 N/A CYS 116.A SG PRO 117.A O no hydrogen 3.511 N/A ALA 121.A N PRO 117.A O no hydrogen 3.041 N/A ALA 121.A N PRO 118.A O no hydrogen 3.130 N/A VAL 122.A N PRO 118.A O no hydrogen 3.369 N/A VAL 122.A N GLU 119.A O no hydrogen 3.249 N/A LEU 123.A N GLU 119.A O no hydrogen 3.284 N/A LEU 124.A N THR 120.A O no hydrogen 2.994 N/A GLY 125.A N ALA 121.A O no hydrogen 2.964 N/A SER 126.A N VAL 122.A O no hydrogen 2.791 N/A SER 126.A OG LEU 123.A O no hydrogen 2.507 N/A TYR 127.A N LEU 123.A O no hydrogen 3.223 N/A ALA 128.A N LEU 124.A O no hydrogen 3.022 N/A VAL 129.A N GLY 125.A O no hydrogen 2.954 N/A GLN 130.A N SER 126.A O no hydrogen 2.996 N/A ALA 131.A N TYR 127.A O no hydrogen 2.912 N/A LYS 132.A N ALA 128.A O no hydrogen 3.061 N/A LYS 132.A NZ GLU 149.A OE1 no hydrogen 2.794 N/A PHE 133.A N VAL 129.A O no hydrogen 2.830 N/A GLY 134.A N GLN 130.A O no hydrogen 3.034 N/A GLU 139.A N ASN 137.A OD1 no hydrogen 2.498 N/A VAL 140.A N ASN 137.A OD1 no hydrogen 2.982 N/A HIS 141.A N ASN 137.A O no hydrogen 3.031 N/A TYR 145.A OH HIS 175.A ND1 no hydrogen 3.121 N/A SER 147.A N GLY 144.A O no hydrogen 3.235 N/A GLU 149.A N LEU 146.A O no hydrogen 3.189 N/A GLN 154.A NE2 ASP 158.A OD1 no hydrogen 2.670 N/A ARG 155.A N ASP 112.A OD1 no hydrogen 2.849 N/A ARG 155.A N ASP 112.A OD2 no hydrogen 3.461 N/A ARG 155.A NH1 ASP 112.A O no hydrogen 3.410 N/A VAL 156.A N PRO 153.A O no hydrogen 3.043 N/A MET 157.A N PRO 153.A O no hydrogen 3.156 N/A ASP 158.A N GLN 154.A O no hydrogen 2.726 N/A GLN 159.A N VAL 156.A O no hydrogen 3.250 N/A HIS 160.A N MET 157.A O no hydrogen 3.350 N/A THR 163.A N GLN 166.A OE1 no hydrogen 3.373 N/A THR 163.A OG1 GLN 166.A OE1 no hydrogen 3.361 N/A GLN 166.A N THR 163.A OG1 no hydrogen 2.580 N/A TRP 167.A N THR 163.A O no hydrogen 3.113 N/A GLU 168.A N ARG 164.A O no hydrogen 3.320 N/A ASP 169.A N ASP 165.A O no hydrogen 3.144 N/A ASP 169.A N GLN 166.A O no hydrogen 3.256 N/A ARG 170.A N GLN 166.A O no hydrogen 3.183 N/A ARG 170.A NH2 GLU 119.A OE2 no hydrogen 3.550 N/A ILE 171.A N TRP 167.A O no hydrogen 2.825 N/A GLN 172.A N GLU 168.A O no hydrogen 3.000 N/A VAL 173.A N ASP 169.A O no hydrogen 3.096 N/A HIS 175.A N ILE 171.A O no hydrogen 2.847 N/A HIS 175.A ND1 TYR 145.A OH no hydrogen 3.121 N/A ALA 176.A N GLN 172.A O no hydrogen 2.992 N/A GLU 177.A N TRP 174.A O no hydrogen 3.248 N/A HIS 178.A N HIS 175.A O no hydrogen 3.121 N/A ARG 179.A N GLU 177.A O no hydrogen 2.649 N/A GLY 180.A N ASP 135.A OD2 no hydrogen 2.433 N/A LYS 183.A NZ ALA 131.A O no hydrogen 2.891 N/A ASN 185.A N LEU 182.A O no hydrogen 2.718 N/A ALA 186.A N LEU 182.A O no hydrogen 2.758 N/A MET 187.A N LYS 183.A O no hydrogen 3.159 N/A GLU 189.A N ASN 185.A O no hydrogen 2.972 N/A TYR 190.A N ALA 186.A O no hydrogen 3.128 N/A LEU 191.A N MET 187.A O no hydrogen 3.137 N/A LYS 192.A N LEU 188.A O no hydrogen 2.725 N/A LYS 192.A NZ GLU 189.A OE2 no hydrogen 2.743 N/A ILE 193.A N GLU 189.A O no hydrogen 2.877 N/A ALA 194.A N TYR 190.A O no hydrogen 2.807 N/A GLN 195.A N LEU 191.A O no hydrogen 3.143 N/A GLN 195.A NE2 ASP 87.A OD1 no hydrogen 2.645 N/A ASP 196.A N ILE 193.A O no hydrogen 2.970 N/A LEU 197.A N ALA 194.A O no hydrogen 2.968 N/A TYR 200.A N LEU 197.A O no hydrogen 3.155 N/A ASN 203.A N VAL 219.A O no hydrogen 3.145 N/A TYR 204.A OH LYS 232.A O no hydrogen 2.813 N/A PHE 205.A N LEU 217.A O no hydrogen 2.974 N/A ILE 207.A N LEU 215.A O no hydrogen 2.805 N/A LYS 208.A N TYR 269.A O no hydrogen 3.099 N/A ASN 209.A N THR 213.A O no hydrogen 3.385 N/A GLY 212.A N ASN 209.A O no hydrogen 2.499 N/A THR 213.A N ASN 209.A OD1 no hydrogen 2.768 N/A THR 213.A OG1 ASN 209.A OD1 no hydrogen 2.937 N/A LEU 215.A N ILE 207.A O no hydrogen 2.778 N/A TRP 216.A N TYR 227.A O no hydrogen 2.797 N/A TRP 216.A NE1 LYS 229.A O no hydrogen 2.719 N/A LEU 217.A N PHE 205.A O no hydrogen 2.916 N/A GLY 218.A N ASN 225.A O no hydrogen 2.898 N/A VAL 219.A N ASN 203.A O no hydrogen 3.017 N/A ASP 220.A N GLY 223.A O no hydrogen 2.876 N/A LEU 222.A N ASP 220.A OD1 no hydrogen 2.611 N/A GLY 223.A N ASP 220.A O no hydrogen 3.355 N/A GLY 223.A N ASP 220.A OD1 no hydrogen 3.117 N/A LEU 224.A N PHE 239.A O no hydrogen 3.209 N/A ASN 225.A N GLY 218.A O no hydrogen 2.976 N/A ILE 226.A N ILE 237.A O no hydrogen 2.828 N/A TYR 227.A N TRP 216.A O no hydrogen 2.678 N/A ASP 231.A N GLU 228.A O no hydrogen 2.858 N/A LEU 233.A N ASP 231.A OD1 no hydrogen 3.244 N/A LYS 236.A N ILE 226.A O no hydrogen 2.543 N/A ILE 237.A N ILE 226.A O no hydrogen 3.251 N/A PHE 239.A N LEU 224.A O no hydrogen 3.053 N/A TRP 241.A N LEU 222.A O no hydrogen 3.021 N/A TRP 241.A NE1 ASP 220.A O no hydrogen 3.077 N/A ILE 244.A N TRP 241.A O no hydrogen 2.795 N/A ARG 245.A N LYS 257.A O no hydrogen 2.505 N/A ASN 246.A N LYS 257.A O no hydrogen 3.085 N/A SER 248.A N VAL 255.A O no hydrogen 3.329 N/A SER 248.A OG ASN 246.A OD1 no hydrogen 3.163 N/A ASN 250.A N LYS 253.A O no hydrogen 3.335 N/A PHE 254.A N PHE 268.A O no hydrogen 3.048 N/A VAL 255.A N SER 248.A O no hydrogen 2.821 N/A ILE 256.A N PHE 266.A O no hydrogen 3.021 N/A LYS 257.A N ASN 246.A O no hydrogen 2.760 N/A TYR 269.A N LYS 208.A O no hydrogen 2.774 N/A ASN 276.A ND2 PRO 271.A O no hydrogen 3.350 N/A LYS 277.A N ARG 274.A O no hydrogen 3.299 N/A ILE 279.A N ILE 275.A O no hydrogen 2.997 N/A GLN 281.A N LYS 277.A O no hydrogen 3.355 N/A LEU 282.A N ARG 278.A O no hydrogen 2.861 N/A CYS 283.A N ILE 279.A O no hydrogen 3.033 N/A CYS 283.A SG ILE 279.A O no hydrogen 3.395 N/A MET 284.A N LEU 280.A O no hydrogen 3.006 N/A GLY 285.A N GLN 281.A O no hydrogen 2.926 N/A ASN 286.A N LEU 282.A O no hydrogen 2.932 N/A ASN 286.A ND2 LEU 282.A O no hydrogen 2.740 N/A HIS 287.A N CYS 283.A O no hydrogen 2.654 N/A GLU 288.A N MET 284.A O no hydrogen 3.042 N/A LEU 289.A N GLY 285.A O no hydrogen 2.983 N/A TYR 290.A N ASN 286.A O no hydrogen 2.943 N/A MET 291.A N HIS 287.A O no hydrogen 3.253 N/A ARG 292.A N GLU 288.A O no hydrogen 3.281 N/A ARG 292.A NE GLU 288.A OE2 no hydrogen 3.142 N/A ARG 292.A NH2 GLU 288.A OE2 no hydrogen 2.691 N/A ARG 293.A N LEU 289.A O no hydrogen 3.464 N/A ARG 293.A NE GLU 91.A OE2 no hydrogen 2.650 N/A ARG 293.A NH1 GLU 86.A OE1 no hydrogen 2.902 N/A ARG 294.A N MET 291.A O no hydrogen 3.110 N/A ARG 294.A NH1 GLU 86.A OE1 no hydrogen 2.902 N/A ARG 294.A NH1 GLU 86.A OE2 no hydrogen 3.193 N/A ARG 294.A NH1 TYR 290.A O no hydrogen 3.213 N/A ARG 294.A NH2 GLU 86.A OE2 no hydrogen 2.682 N/A LYS 295.A N ARG 292.A O no hydrogen 3.137 N/A