Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nej_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N LEU 78.A O no hydrogen 2.759 N/A LYS 8.A N THR 4.A O no hydrogen 2.932 N/A SER 9.A N PRO 5.A O no hydrogen 3.143 N/A SER 9.A OG PRO 5.A O no hydrogen 2.856 N/A ALA 10.A N VAL 6.A O no hydrogen 2.870 N/A VAL 11.A N GLU 7.A O no hydrogen 3.239 N/A THR 12.A OG1 LYS 8.A O no hydrogen 2.623 N/A ALA 13.A N SER 9.A O no hydrogen 3.144 N/A LEU 14.A N ALA 10.A O no hydrogen 3.375 N/A TRP 15.A N VAL 11.A O no hydrogen 2.831 N/A TRP 15.A NE1 SER 72.A OG no hydrogen 2.939 N/A LYS 17.A N LEU 14.A O no hydrogen 3.200 N/A VAL 18.A N TRP 15.A O no hydrogen 3.011 N/A GLU 22.A N ASN 19.A OD1 no hydrogen 3.344 N/A GLU 26.A N VAL 23.A O no hydrogen 3.088 N/A ALA 27.A N VAL 23.A O no hydrogen 2.850 N/A LEU 28.A N GLY 24.A O no hydrogen 2.798 N/A GLY 29.A N GLY 25.A O no hydrogen 3.019 N/A ARG 30.A N GLU 26.A O no hydrogen 3.210 N/A LEU 31.A N ALA 27.A O no hydrogen 3.326 N/A LEU 32.A N LEU 28.A O no hydrogen 3.441 N/A VAL 33.A N GLY 29.A O no hydrogen 3.157 N/A VAL 34.A N ARG 30.A O no hydrogen 2.876 N/A TYR 35.A N LEU 31.A O no hydrogen 2.785 N/A TRP 37.A NE1 ASN 102.A OD1 no hydrogen 3.071 N/A THR 38.A N TYR 35.A O no hydrogen 3.159 N/A THR 38.A OG1 TYR 35.A O no hydrogen 2.614 N/A GLN 39.A N PRO 36.A O no hydrogen 2.720 N/A GLN 39.A NE2 LEU 32.A O no hydrogen 3.017 N/A ARG 40.A N TRP 37.A O no hydrogen 3.359 N/A PHE 41.A N THR 38.A O no hydrogen 3.300 N/A PHE 42.A N GLN 39.A O no hydrogen 2.955 N/A SER 49.A OG ASP 47.A OD1 no hydrogen 2.834 N/A ALA 53.A N THR 50.A O no hydrogen 3.017 N/A VAL 54.A N THR 50.A O no hydrogen 2.940 N/A MET 55.A N PRO 51.A O no hydrogen 2.869 N/A GLY 56.A N ASP 52.A O no hydrogen 2.968 N/A ASN 57.A ND2 GLY 46.A O no hydrogen 2.642 N/A LYS 59.A NZ SER 44.A O no hydrogen 3.328 N/A VAL 60.A N ASN 57.A OD1 no hydrogen 3.361 N/A LYS 61.A N ASN 57.A O no hydrogen 3.030 N/A ALA 62.A N PRO 58.A O no hydrogen 3.086 N/A ALA 62.A N LYS 59.A O no hydrogen 3.242 N/A HIS 63.A N LYS 59.A O no hydrogen 2.908 N/A GLY 64.A N VAL 60.A O no hydrogen 2.876 N/A LYS 66.A N HIS 63.A O no hydrogen 2.862 N/A VAL 67.A N HIS 63.A O no hydrogen 3.055 N/A LEU 68.A N GLY 64.A O no hydrogen 2.978 N/A GLY 69.A N LYS 65.A O no hydrogen 3.072 N/A ALA 70.A N LYS 66.A O no hydrogen 3.271 N/A ALA 70.A N VAL 67.A O no hydrogen 3.151 N/A PHE 71.A N VAL 67.A O no hydrogen 3.147 N/A SER 72.A N LEU 68.A O no hydrogen 2.951 N/A SER 72.A OG LEU 68.A O no hydrogen 2.671 N/A ASP 73.A N GLY 69.A O no hydrogen 3.241 N/A GLY 74.A N ALA 70.A O no hydrogen 3.089 N/A LEU 75.A N PHE 71.A O no hydrogen 3.123 N/A ALA 76.A N ASP 73.A O no hydrogen 3.286 N/A HIS 77.A N ASP 73.A O no hydrogen 3.315 N/A LYS 82.A NZ ASP 79.A O no hydrogen 3.550 N/A THR 84.A N LEU 81.A O no hydrogen 3.161 N/A THR 84.A OG1 ASN 80.A O no hydrogen 2.797 N/A PHE 85.A N LEU 81.A O no hydrogen 3.003 N/A SER 89.A N PHE 85.A O no hydrogen 2.685 N/A SER 89.A OG LEU 141.A O no hydrogen 3.409 N/A GLU 90.A N ALA 86.A O no hydrogen 2.923 N/A LEU 91.A N THR 87.A O no hydrogen 3.130 N/A HIS 92.A N LEU 88.A O no hydrogen 3.167 N/A HIS 92.A ND1 LEU 88.A O no hydrogen 2.780 N/A CYS 93.A N SER 89.A O no hydrogen 2.837 N/A CYS 93.A SG SER 89.A O no hydrogen 3.153 N/A CYS 93.A SG SER 89.A OG no hydrogen 3.622 N/A CYS 93.A SG LEU 141.A O no hydrogen 3.123 N/A ASP 94.A N GLU 90.A O no hydrogen 3.164 N/A LEU 96.A N LEU 91.A O no hydrogen 2.860 N/A VAL 98.A N HIS 92.A O no hydrogen 2.941 N/A ASN 102.A N ASP 99.A O no hydrogen 3.132 N/A ASN 102.A ND2 ASP 99.A O no hydrogen 2.891 N/A PHE 103.A N PRO 100.A O no hydrogen 3.028 N/A ARG 104.A N GLU 101.A O no hydrogen 3.104 N/A ARG 104.A NH1 ALA 135.A O no hydrogen 3.547 N/A ARG 104.A NH1 ASN 139.A OD1 no hydrogen 3.153 N/A ARG 104.A NH2 ASN 139.A OD1 no hydrogen 2.958 N/A LEU 105.A N GLU 101.A O no hydrogen 3.079 N/A LEU 106.A N ASN 102.A O no hydrogen 3.136 N/A GLY 107.A N PHE 103.A O no hydrogen 3.476 N/A ASN 108.A N ARG 104.A O no hydrogen 3.083 N/A VAL 109.A N LEU 106.A O no hydrogen 3.052 N/A LEU 110.A N LEU 106.A O no hydrogen 2.956 N/A VAL 111.A N GLY 107.A O no hydrogen 3.266 N/A CYS 112.A N VAL 109.A O no hydrogen 3.265 N/A CYS 112.A SG ASN 108.A O no hydrogen 3.502 N/A VAL 113.A N VAL 109.A O no hydrogen 3.088 N/A VAL 113.A N LEU 110.A O no hydrogen 3.211 N/A LEU 114.A N LEU 110.A O no hydrogen 3.069 N/A HIS 116.A N CYS 112.A O no hydrogen 3.105 N/A HIS 117.A N VAL 113.A O no hydrogen 2.934 N/A HIS 117.A NE2 GLU 26.A OE1 no hydrogen 2.855 N/A PHE 118.A N LEU 114.A O no hydrogen 2.947 N/A GLY 119.A N ALA 115.A O no hydrogen 3.253 N/A GLU 121.A N PHE 118.A O no hydrogen 3.155 N/A PHE 122.A N GLY 119.A O no hydrogen 3.165 N/A VAL 126.A N THR 123.A O no hydrogen 2.984 N/A GLN 127.A N THR 123.A O no hydrogen 3.058 N/A ALA 128.A N PRO 124.A O no hydrogen 3.190 N/A ALA 129.A N VAL 126.A O no hydrogen 3.160 N/A TYR 130.A N VAL 126.A O no hydrogen 2.990 N/A GLN 131.A N GLN 127.A O no hydrogen 2.703 N/A GLN 131.A NE2 ASN 108.A OD1 no hydrogen 2.999 N/A LYS 132.A NZ GLU 7.A OE2 no hydrogen 2.704 N/A VAL 134.A N TYR 130.A O no hydrogen 2.902 N/A ALA 135.A N GLN 131.A O no hydrogen 3.329 N/A GLY 136.A N LYS 132.A O no hydrogen 3.333 N/A VAL 137.A N VAL 133.A O no hydrogen 2.957 N/A ALA 138.A N VAL 134.A O no hydrogen 2.975 N/A ALA 140.A N GLY 136.A O no hydrogen 3.104 N/A LEU 141.A N VAL 137.A O no hydrogen 3.081 N/A LYS 144.A N SER 89.A OG no hydrogen 2.963 N/A TYR 145.A OH VAL 98.A O no hydrogen 2.696 N/A HIS 146.A N HIS 143.A O no hydrogen 3.218 N/A