File: ud.dat.save

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-4
  • links: PTS, VCS
  • area: main
  • in suites: sid, trixie
  • size: 138,900 kB
  • sloc: cpp: 145,621; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (45 lines) | stat: -rw-r--r-- 3,915 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
#Acceptor          DonorH        Donor   Frames         Frac      AvgDist       AvgAng
ILE_19@O         THR_12@H     THR_12@N       69       0.6900       2.8626     160.5248
VAL_2@O          GLU_13@H     GLU_13@N       59       0.5900       2.8517     159.8143
TYR_11@O          ILE_4@H      ILE_4@N       53       0.5300       2.8682     160.4581
LYS_17@O         VAL_14@H     VAL_14@N       53       0.5300       2.9028     162.5860
GLU_13@OE2     LYS_18@HZ1    LYS_18@NZ       51       0.5100       2.7910     159.7968
THR_12@O         ILE_19@H     ILE_19@N       49       0.4900       2.8923     159.8388
THR_10@O         GLN_21@H     GLN_21@N       43       0.4300       2.8807     165.7647
ILE_4@O          TYR_11@H     TYR_11@N       42       0.4200       2.8678     159.7805
GLU_13@OE1       LYS_17@H     LYS_17@N       30       0.3000       2.8446     153.3493
THR_12@OG1    GLN_21@HE22   GLN_21@NE2       29       0.2900       2.8922     158.6627
GLU_13@O          VAL_2@H      VAL_2@N       27       0.2700       2.9031     162.5282
LYS_9@O           SER_6@H      SER_6@N       26       0.2600       2.8875     162.2610
GLU_13@OE1     LYS_18@HZ2    LYS_18@NZ       17       0.1700       2.7834     163.7132
SER_6@O           LYS_9@H      LYS_9@N       17       0.1700       2.9181     149.8396
LYS_9@O          TYR_11@H     TYR_11@N       16       0.1600       2.8332     148.6160
PRO_15@O       LYS_18@HZ3    LYS_18@NZ       15       0.1500       2.8191     159.5014
GLU_13@OE1     LYS_18@HZ3    LYS_18@NZ       13       0.1300       2.7818     160.5975
VAL_14@O       LYS_17@HZ3    LYS_17@NZ       11       0.1100       2.8618     157.4399
GLU_13@OE1       GLY_16@H     GLY_16@N       10       0.1000       2.8510     141.2372
THR_5@OG1     GLN_21@HE21   GLN_21@NE2        9       0.0900       2.9202     166.1586
SER_6@O         LYS_9@HZ1     LYS_9@NZ        8       0.0800       2.8506     155.8876
PHE_3@O          GLU_13@H     GLU_13@N        8       0.0800       2.8586     154.8892
GLU_13@OE2      LYS_9@HZ2     LYS_9@NZ        7       0.0700       2.7746     164.6742
GLU_13@O          PHE_3@H      PHE_3@N        7       0.0700       2.8782     153.5074
TYR_11@O          SER_6@H      SER_6@N        6       0.0600       2.8837     167.4995
GLU_13@OE2     LYS_18@HZ3    LYS_18@NZ        5       0.0500       2.8539     156.6213
PRO_15@O       LYS_17@HZ3    LYS_17@NZ        4       0.0400       2.8575     145.3242
VAL_14@O       LYS_17@HZ2    LYS_17@NZ        4       0.0400       2.8769     149.6556
SER_6@OG       LYS_18@HZ2    LYS_18@NZ        4       0.0400       2.8842     148.3740
PRO_7@O           LYS_9@H      LYS_9@N        4       0.0400       2.8991     147.6407
ILE_19@O      GLN_21@HE22   GLN_21@NE2        3       0.0300       2.8506     163.7389
GLU_13@OE2     LYS_18@HZ2    LYS_18@NZ        2       0.0200       2.6819     156.8033
PRO_15@O       LYS_17@HZ1    LYS_17@NZ        2       0.0200       2.7859     149.4921
GLY_16@O       LYS_18@HZ3    LYS_18@NZ        2       0.0200       2.8655     156.9661
VAL_2@O           ILE_4@H      ILE_4@N        2       0.0200       2.9105     142.8338
THR_5@O           GLY_8@H      GLY_8@N        2       0.0200       2.9416     152.5890
PRO_7@O         LYS_9@HZ2     LYS_9@NZ        1       0.0100       2.7614     152.8663
TYR_11@OH       LYS_9@HZ2     LYS_9@NZ        1       0.0100       2.7776     150.3653
LEU_20@O       NHE_22@HN1     NHE_22@N        1       0.0100       2.8204     136.1336
PRO_7@O         LYS_9@HZ3     LYS_9@NZ        1       0.0100       2.8523     155.4400
ACE_1@O           PHE_3@H      PHE_3@N        1       0.0100       2.8557     149.7396
TYR_11@OH       LYS_9@HZ3     LYS_9@NZ        1       0.0100       2.9169     151.7877
TYR_11@OH       LYS_9@HZ1     LYS_9@NZ        1       0.0100       2.9876     142.8036
VAL_14@O       LYS_17@HZ1    LYS_17@NZ        1       0.0100       2.9884     161.0901