Rotamerically Induced PerturbationsLarge perturbations
Response to RIP in psd95-pdz3-lig
deviations averaged over the 10th ps of simulation
background temperature = 300k
rotational temperature = 300k
significant response defined by Cα-RMSD deviation > 6 Å
PDB accession code: 1BE9
column = Cα-RMSD response to a RIP simulation
susceptibility of response to RIP of neighbors
no. of responding residues for each RIP
averaged Cα-RMSD fluctuations above background


Last snapshot of trajectory where Cα-RMSD is indicated by redness and thickness of chain.
PHE-1 [301]
LEU-2 [302]
GLU-4 [304]
GLU-5 [305]
ASP-6 [306]
ILE-7 [307]
ARG-9 [309]
GLU-10 [310]
ARG-12 [312]
ARG-13 [313]
ILE-14 [314]
VAL-15 [315]
ILE-16 [316]
HIS-17 [317]
ARG-18 [318]
SER-20 [320]
THR-21 [321]
LEU-23 [323]
PHE-25 [325]
ASN-26 [326]
ILE-27 [327]
ILE-28 [328]
GLU-31 [331]
ASP-32 [332]
GLU-34 [334]
ILE-36 [336]
PHE-37 [337]
ILE-38 [338]
SER-39 [339]
PHE-40 [340]
ILE-41 [341]
LEU-42 [342]
ASP-48 [348]
LEU-49 [349]
SER-50 [350]
GLU-52 [352]
LEU-53 [353]
ARG-54 [354]
LYS-55 [355]
ASP-57 [357]
GLN-58 [358]
ILE-59 [359]
LEU-60 [360]
SER-61 [361]
VAL-62 [362]
ASN-63 [363]
VAL-65 [365]
ASP-66 [366]
LEU-67 [367]
ARG-68 [368]
ASN-69 [369]
SER-71 [371]
HIS-72 [372]
GLU-73 [373]
GLN-74 [374]
ILE-77 [377]
LEU-79 [379]
LYS-80 [380]
ASN-81 [381]
GLN-84 [384]
THR-85 [385]
VAL-86 [386]
THR-87 [387]
ILE-88 [388]
ILE-89 [389]
GLN-91 [391]
TYR-92 [392]
LYS-93 [393]
GLU-95 [395]
GLU-96 [396]
TYR-97 [397]
SER-98 [398]
ARG-99 [399]
PHE-100 [400]
GLU-101 [401]
ASN-103 [403]
SER-104 [404]
ARG-105 [405]
VAL-106 [406]
ASN-107 [407]
SER-108 [408]
SER-109 [409]
ARG-111 [411]
ILE-112 [412]
VAL-113 [413]
THR-114 [414]
ASN-115 [415]
LYS-116 [5]
GLN-117 [6]
THR-118 [7]
SER-119 [8]
VAL-120 [9]