Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k1k_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N LEU 78.A O no hydrogen 3.309 N/A THR 4.A N GLU 7.A OE1 no hydrogen 2.858 N/A GLU 7.A N THR 4.A O no hydrogen 2.756 N/A LYS 8.A N THR 4.A O no hydrogen 2.853 N/A SER 9.A N PRO 5.A O no hydrogen 3.103 N/A ALA 10.A N LYS 6.A O no hydrogen 3.185 N/A VAL 11.A N GLU 7.A O no hydrogen 2.962 N/A THR 12.A N LYS 8.A O no hydrogen 2.987 N/A THR 12.A OG1 LYS 8.A O no hydrogen 2.628 N/A THR 12.A OG1 SER 9.A O no hydrogen 3.221 N/A ALA 13.A N SER 9.A O no hydrogen 3.007 N/A LEU 14.A N ALA 10.A O no hydrogen 3.215 N/A TRP 15.A N VAL 11.A O no hydrogen 2.805 N/A TRP 15.A NE1 SER 72.A OG no hydrogen 2.741 N/A GLY 16.A N THR 12.A O no hydrogen 3.074 N/A LYS 17.A N LEU 14.A O no hydrogen 2.940 N/A VAL 18.A N TRP 15.A O no hydrogen 3.431 N/A ASP 21.A N ASN 19.A OD1 no hydrogen 3.238 N/A GLU 22.A N ASN 19.A O no hydrogen 3.035 N/A GLU 22.A N ASN 19.A OD1 no hydrogen 3.120 N/A VAL 23.A N ASN 19.A O no hydrogen 3.002 N/A GLU 26.A N GLU 22.A O no hydrogen 3.093 N/A ALA 27.A N VAL 23.A O no hydrogen 2.925 N/A LEU 28.A N GLY 24.A O no hydrogen 3.256 N/A GLY 29.A N GLY 25.A O no hydrogen 3.013 N/A ARG 30.A N GLU 26.A O no hydrogen 3.040 N/A LEU 31.A N ALA 27.A O no hydrogen 3.021 N/A LEU 32.A N LEU 28.A O no hydrogen 3.116 N/A VAL 33.A N GLY 29.A O no hydrogen 2.898 N/A VAL 34.A N ARG 30.A O no hydrogen 2.714 N/A TYR 35.A N LEU 31.A O no hydrogen 2.810 N/A TRP 37.A NE1 ASN 102.A OD1 no hydrogen 2.984 N/A THR 38.A N TYR 35.A O no hydrogen 2.962 N/A THR 38.A OG1 LEU 31.A O no hydrogen 3.354 N/A THR 38.A OG1 TYR 35.A O no hydrogen 2.523 N/A GLN 39.A N PRO 36.A O no hydrogen 2.963 N/A GLN 39.A NE2 LEU 32.A O no hydrogen 2.706 N/A ARG 40.A N TRP 37.A O no hydrogen 3.189 N/A PHE 41.A N THR 38.A O no hydrogen 3.128 N/A PHE 42.A N GLN 39.A O no hydrogen 2.914 N/A PHE 45.A N PHE 42.A O no hydrogen 3.059 N/A GLY 46.A N GLU 43.A O no hydrogen 3.363 N/A SER 49.A OG ASP 47.A OD1 no hydrogen 2.545 N/A ALA 53.A N THR 50.A OG1 no hydrogen 3.105 N/A VAL 54.A N THR 50.A O no hydrogen 2.684 N/A MET 55.A N PRO 51.A O no hydrogen 2.693 N/A GLY 56.A N ASP 52.A O no hydrogen 3.078 N/A ASN 57.A N VAL 54.A O no hydrogen 3.186 N/A ASN 57.A ND2 PHE 45.A O no hydrogen 3.000 N/A ASN 57.A ND2 ASP 47.A O no hydrogen 3.330 N/A LYS 59.A N ASN 57.A OD1 no hydrogen 3.047 N/A LYS 61.A N ASN 57.A O no hydrogen 3.053 N/A ALA 62.A N PRO 58.A O no hydrogen 2.865 N/A HIS 63.A N LYS 59.A O no hydrogen 2.905 N/A GLY 64.A N VAL 60.A O no hydrogen 2.927 N/A LYS 65.A N LYS 61.A O no hydrogen 3.244 N/A VAL 67.A N HIS 63.A O no hydrogen 3.006 N/A LEU 68.A N GLY 64.A O no hydrogen 2.945 N/A GLY 69.A N LYS 65.A O no hydrogen 3.088 N/A ALA 70.A N LYS 66.A O no hydrogen 3.095 N/A PHE 71.A N VAL 67.A O no hydrogen 3.219 N/A SER 72.A N LEU 68.A O no hydrogen 3.128 N/A SER 72.A OG LEU 68.A O no hydrogen 3.413 N/A ASP 73.A N GLY 69.A O no hydrogen 3.071 N/A GLY 74.A N ALA 70.A O no hydrogen 2.863 N/A LEU 75.A N PHE 71.A O no hydrogen 2.739 N/A ALA 76.A N SER 72.A O no hydrogen 3.002 N/A ALA 76.A N ASP 73.A O no hydrogen 3.017 N/A HIS 77.A N ASP 73.A O no hydrogen 3.146 N/A HIS 77.A N GLY 74.A O no hydrogen 3.277 N/A HIS 77.A ND1 ASP 73.A O no hydrogen 3.015 N/A ASN 80.A N HIS 77.A O no hydrogen 2.754 N/A GLY 83.A N ASN 80.A OD1 no hydrogen 3.291 N/A THR 84.A N ASN 80.A O no hydrogen 3.253 N/A THR 84.A OG1 ASN 80.A O no hydrogen 2.702 N/A PHE 85.A N LEU 81.A O no hydrogen 2.814 N/A SER 89.A N PHE 85.A O no hydrogen 2.550 N/A SER 89.A OG LEU 141.A O no hydrogen 2.637 N/A GLU 90.A N ALA 86.A O no hydrogen 3.052 N/A LEU 91.A N THR 87.A O no hydrogen 3.057 N/A HIS 92.A N LEU 88.A O no hydrogen 2.946 N/A HIS 92.A ND1 LEU 88.A O no hydrogen 2.870 N/A CYS 93.A N SER 89.A O no hydrogen 2.798 N/A CYS 93.A SG SER 89.A OG no hydrogen 3.640 N/A CYS 93.A SG LEU 141.A O no hydrogen 3.131 N/A ASP 94.A N GLU 90.A O no hydrogen 2.943 N/A LYS 95.A N GLU 90.A O no hydrogen 3.362 N/A LYS 95.A N LEU 91.A O no hydrogen 3.253 N/A LEU 96.A N LEU 91.A O no hydrogen 2.966 N/A VAL 98.A N HIS 92.A O no hydrogen 2.927 N/A GLU 101.A N ASP 99.A OD2 no hydrogen 2.931 N/A ASN 102.A N ASP 99.A O no hydrogen 2.947 N/A ASN 102.A ND2 ASP 99.A O no hydrogen 3.242 N/A PHE 103.A N PRO 100.A O no hydrogen 3.068 N/A ARG 104.A NE PRO 100.A O no hydrogen 3.246 N/A ARG 104.A NH1 ASN 139.A OD1 no hydrogen 3.250 N/A LEU 105.A N GLU 101.A O no hydrogen 3.139 N/A LEU 106.A N ASN 102.A O no hydrogen 3.102 N/A GLY 107.A N PHE 103.A O no hydrogen 3.084 N/A ASN 108.A N ARG 104.A O no hydrogen 3.011 N/A VAL 109.A N LEU 105.A O no hydrogen 2.960 N/A LEU 110.A N LEU 106.A O no hydrogen 2.850 N/A VAL 111.A N GLY 107.A O no hydrogen 2.988 N/A CYS 112.A N ASN 108.A O no hydrogen 2.917 N/A CYS 112.A SG ASN 108.A O no hydrogen 3.651 N/A VAL 113.A N VAL 109.A O no hydrogen 2.845 N/A LEU 114.A N LEU 110.A O no hydrogen 3.018 N/A ALA 115.A N VAL 111.A O no hydrogen 3.029 N/A HIS 116.A N CYS 112.A O no hydrogen 2.951 N/A HIS 117.A N VAL 113.A O no hydrogen 2.925 N/A HIS 117.A NE2 GLU 26.A OE1 no hydrogen 3.137 N/A HIS 117.A NE2 GLU 26.A OE2 no hydrogen 2.617 N/A PHE 118.A N LEU 114.A O no hydrogen 2.797 N/A GLY 119.A N ALA 115.A O no hydrogen 2.747 N/A GLU 121.A N PHE 118.A O no hydrogen 3.179 N/A PHE 122.A N GLY 119.A O no hydrogen 2.898 N/A THR 123.A N GLU 121.A O no hydrogen 2.895 N/A GLN 127.A N THR 123.A O no hydrogen 2.902 N/A GLN 127.A NE2 GLN 131.A OE1 no hydrogen 2.988 N/A ALA 128.A N PRO 124.A O no hydrogen 2.871 N/A ALA 129.A N PRO 125.A O no hydrogen 3.113 N/A TYR 130.A N VAL 126.A O no hydrogen 3.098 N/A GLN 131.A N GLN 127.A O no hydrogen 2.767 N/A GLN 131.A NE2 ASN 108.A OD1 no hydrogen 3.175 N/A LYS 132.A N ALA 128.A O no hydrogen 3.298 N/A LYS 132.A NZ HIS 2.A O no hydrogen 3.519 N/A LYS 132.A NZ GLU 7.A OE1 no hydrogen 2.915 N/A LYS 132.A NZ GLU 7.A OE2 no hydrogen 3.299 N/A VAL 133.A N ALA 129.A O no hydrogen 3.179 N/A VAL 134.A N TYR 130.A O no hydrogen 2.881 N/A ALA 135.A N GLN 131.A O no hydrogen 2.953 N/A GLY 136.A N LYS 132.A O no hydrogen 3.010 N/A VAL 137.A N VAL 133.A O no hydrogen 2.973 N/A ALA 138.A N VAL 134.A O no hydrogen 3.035 N/A ASN 139.A N ALA 135.A O no hydrogen 3.166 N/A ALA 140.A N GLY 136.A O no hydrogen 2.921 N/A LEU 141.A N VAL 137.A O no hydrogen 2.909 N/A ALA 142.A N ALA 138.A O no hydrogen 3.095 N/A ALA 142.A N ASN 139.A O no hydrogen 3.010 N/A HIS 143.A N ALA 140.A O no hydrogen 3.200 N/A LYS 144.A N SER 89.A OG no hydrogen 3.113 N/A TYR 145.A N ALA 142.A O no hydrogen 2.691 N/A TYR 145.A OH VAL 98.A O no hydrogen 2.433 N/A