2DGL

crystal structure of escherichia coli gadb in complex with bromide

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 356
  • Norm. En. per Res.: -5.1109
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-217.4622	-254.1941	-1347.82	-1819.4763	356	52	27	52815	24	136	120
A-C	0.0	7.5534	-92.4726	-84.9192	66	1	4	4407	0	26	27
A-E	0.0	5.3972	-90.8986	-85.5014	67	3	4	4390	0	26	27
A-F	-61.8832	13.4187	-510.96	-559.4245	187	32	7	20890	22	82	97
B-C	-88.4617	55.4865	-516.611	-549.5862	184	36	7	21113	21	83	93
B-D	0.0	13.2446	-87.8914	-74.6468	66	3	6	4158	0	26	25
B-F	0.0	9.8326	-83.2228	-73.3902	68	5	4	4223	0	23	24
C-D	-187.0771	-274.1625	-1339.72	-1800.9595	356	51	26	52690	27	134	118
C-E	0.0	14.4322	-87.8171	-73.3849	65	1	4	4264	0	27	24
D-E	-77.9276	-15.7978	-513.277	-607.0023	189	32	7	20853	22	82	98
D-F	0.0	10.768	-74.8817	-64.1137	65	4	4	3978	0	25	23
E-F	-164.8918	-156.0342	-1334.49	-1655.416	360	43	25	52337	22	130	118

Interface residues

• A-B: ALA105A, ALA105B, ALA112A, ALA112B, ALA118A, ALA118B, ALA129A, ALA129B, ALA170A, ALA170B, ALA27A, ALA27B, ALA280A, ALA280B, ALA314A, ALA314B, ALA321A, ALA321B, ALA326A, ALA326B, ALA42A, ALA42B, ALA56A, ALA56B, ALA61A, ALA61B, ALA94A, ALA94B, ALA95A, ALA95B, ARG142A, ARG142B, ARG171A, ARG171B, ARG17A, ARG17B, ARG319A, ARG319B, ARG31A, ARG31B, ARG333A, ARG333B, ARG336A, ARG336B, ARG38A, ARG38B, ARG400A, ARG400B, ARG422A, ARG422B, ARG426A, ARG426B, ARG427A, ARG427B, ARG57A, ARG57B, ARG99A, ARG99B, ASN102A, ASN102B, ASN115B, ASN302A, ASN302B, ASN316A, ASN316B, ASN47A, ASN47B, ASN55A, ASN55B, ASN59A, ASN59B, ASN71A, ASN71B, ASN81A, ASN81B, ASN83A, ASN83B, ASP106A, ASP106B, ASP153A, ASP153B, ASP174A, ASP174B, ASP39A, ASP39B, ASP40A, ASP40B, ASP48A, ASP48B, ASP53A, ASP53B, ASP68A, ASP68B, ASP69A, ASP69B, ASP77A, ASP77B, ASP86A, ASP86B, CYS100A, CYS100B, CYS130A, CYS130B, CYS165A, CYS165B, CYS284A, CYS284B, CYS64A, CYS64B, GLN117A, GLN117B, GLN163A, GLN163B, GLN297A, GLN297B, GLN323A, GLN323B, GLN327A, GLN327B, GLN405A, GLN405B, GLN44A, GLN44B, GLN58B, GLN65A, GLN65B, GLN92A, GLN92B, GLU128A, GLU128B, GLU28A, GLU28B, GLU298A, GLU298B, GLU330A, GLU330B, GLU337A, GLU337B, GLU36A, GLU36B, GLU49A, GLU49B, GLU70A, GLU70B, GLU88A, GLU88B, GLU89A, GLU89B, GLY116A, GLY116B, GLY125A, GLY125B, GLY248A, GLY278A, GLY278B, GLY283A, GLY283B, GLY285B, GLY322A, GLY322B, GLY335A, GLY335B, GLY338A, GLY338B, GLY54A, GLY54B, HIS109A, HIS167A, HIS167B, HIS275A, HIS275B, HIS35A, HIS35B, HIS73A, HIS73B, ILE124A, ILE124B, ILE164A, ILE164B, ILE26A, ILE26B, ILE315A, ILE315B, ILE325A, ILE325B, ILE45A, ILE45B, ILE46A, ILE46B, ILE80A, ILE80B, ILE85A, ILE85B, ILE96A, ILE96B, LEU107A, LEU107B, LEU132A, LEU132B, LEU177A, LEU177B, LEU279A, LEU279B, LEU282A, LEU282B, LEU295A, LEU299A, LEU299B, LEU306A, LEU332A, LEU332B, LEU334A, LEU334B, LEU34A, LEU34B, LEU50A, LEU50B, LEU52A, LEU52B, LEU60A, LEU60B, LEU75A, LEU75B, LEU78A, LEU78B, LEU98A, LEU98B, LYS138A, LYS138B, LYS168A, LYS168B, LYS276A, LYS276B, LYS30A, LYS30B, LYS341A, LYS341B, LYS74A, LYS74B, LYS82A, LYS82B, LYS87A, LYS87B, MET103A, MET103B, MET131A, MET131B, MET135A, MET135B, MET37A, MET37B, MET76A, MET76B, PHE169A, PHE169B, PHE249A, PHE249B, PHE253A, PHE253B, PHE301A, PHE301B, PHE313A, PHE313B, PHE317A, PHE317B, PHE32A, PHE32B, PHE331A, PHE331B, PHE43A, PHE43B, PHE63A, PHE63B, PRO113A, PRO113B, PRO252A, PRO252B, PRO281A, PRO281B, PRO296A, PRO320A, PRO320B, PRO33A, PRO33B, PRO407A, PRO407B, PRO91A, PRO91B, SER126A, SER126B, SER127A, SER127B, SER273A, SER273B, SER29A, SER29B, SER318A, SER318B, SER79A, SER79B, SER93A, SER93B, THR123A, THR123B, THR212A, THR212B, THR312A, THR312B, THR340A, THR340B, THR62A, THR62B, THR66A, THR66B, TRP108A, TRP108B, TRP139A, TRP139B, TRP166A, TRP166B, TRP173A, TRP173B, TRP67A, TRP67B, TRP84A, TRP84B, TYR172A, TYR172B, TYR328A, TYR328B, TYR329A, TYR329B, TYR339A, TYR339B, TYR51A, TYR51B, TYR90A, TYR90B, VAL101A, VAL101B, VAL104A, VAL104B, VAL175A, VAL175B, VAL300A, VAL300B, VAL303A, VAL303B, VAL324A, VAL324B, VAL342A, VAL342B, VAL41A, VAL41B, VAL72A, VAL72B
• A-C: ALA20C, ALA443C, ALA95A, ARG10A, ARG10C, ARG17C, ARG38A, ARG38C, ARG402C, ARG99A, ASP15C, ASP39A, ASP40A, ASP432C, ASP440C, ASP8A, ASP8C, GLN5A, GLN5C, GLN92A, GLU12A, GLU12C, GLU36A, GLU435C, GLU439C, GLU70A, GLU70C, GLU88A, GLY19C, GLY307A, HIS35A, ILE96A, LEU13A, LEU13C, LEU14A, LEU14C, LEU306A, LEU332A, LEU34A, LEU436C, LEU9A, LEU9C, LYS3A, LYS3C, LYS446C, LYS4A, LYS4C, LYS74A, LYS87A, MET37A, PHE433C, PRO91A, SER11A, SER11C, SER16C, SER22A, SER93A, THR7A, THR7C, TYR305A, TYR328A, TYR447C, TYR90A, VAL41A, VAL6A, VAL6C
• A-E: ALA443A, ALA95E, ARG10A, ARG10E, ARG17A, ARG38A, ARG38E, ARG402A, ARG99E, ASP15A, ASP15E, ASP39E, ASP40E, ASP432A, ASP440A, ASP8A, ASP8E, GLN5A, GLN5E, GLN92E, GLU12A, GLU12E, GLU36E, GLU435A, GLU439A, GLU70A, GLU70E, GLU88E, GLU89E, GLY19A, GLY307E, HIS35E, ILE96E, LEU13A, LEU13E, LEU14A, LEU14E, LEU306E, LEU332E, LEU34E, LEU436A, LEU9A, LEU9E, LYS3A, LYS3E, LYS446A, LYS4A, LYS4E, LYS74E, LYS87E, MET37E, PHE433A, PRO91E, SER11A, SER11E, SER16A, SER22E, SER93E, THR7A, THR7E, TYR305E, TYR328E, TYR447A, TYR90E, VAL41E, VAL6A, VAL6E
• A-F: ALA20A, ALA20F, ALA27A, ALA27F, ALA345A, ALA345F, ALA434A, ALA434F, ALA56A, ARG10A, ARG10F, ARG17A, ARG17F, ARG333A, ARG333F, ARG38A, ARG38F, ARG398A, ARG398F, ARG400A, ARG400F, ARG402A, ARG402F, ARG426A, ARG426F, ARG427A, ARG427F, ARG57A, ARG57F, ASN344A, ASN344F, ASN47A, ASN47F, ASN55A, ASN55F, ASN71A, ASN71F, ASP15A, ASP15F, ASP394A, ASP394F, ASP40A, ASP40F, ASP432A, ASP432F, ASP440A, ASP440F, ASP48A, ASP48F, ASP53A, ASP53F, ASP68A, ASP68F, ASP69A, ASP69F, ASP8A, ASP8F, GLN343A, GLN343F, GLN348A, GLN348F, GLN405A, GLN405F, GLN44A, GLN44F, GLN58A, GLN58F, GLU12A, GLU12F, GLU28A, GLU28F, GLU330A, GLU330F, GLU337A, GLU337F, GLU356A, GLU356F, GLU397A, GLU397F, GLU430A, GLU430F, GLU435A, GLU435F, GLU439A, GLU439F, GLU49A, GLU49F, GLU70A, GLU70F, GLY19A, GLY19F, GLY338A, GLY338F, GLY403A, GLY403F, GLY428A, GLY428F, GLY54A, GLY54F, HIS451F, ILE23A, ILE23F, ILE26A, ILE26F, ILE45A, ILE45F, ILE46A, ILE46F, LEU13A, LEU13F, LEU14A, LEU14F, LEU279A, LEU279F, LEU334A, LEU334F, LEU399A, LEU399F, LEU401A, LEU401F, LEU436A, LEU436F, LEU437A, LEU437F, LEU438A, LEU438F, LEU50A, LEU50F, LEU52A, LEU52F, LYS21A, LYS21F, LYS341A, LYS341F, MET431A, MET431F, PHE18A, PHE18F, PHE429A, PHE429F, PHE433A, PHE433F, PHE43F, SER11A, SER11F, SER16A, SER16F, SER22A, SER22F, SER24A, SER24F, SER29A, SER29F, SER346A, SER346F, SER396A, SER396F, THR25A, THR25F, THR340A, THR340F, THR66A, THR66F, THR7A, THR7F, TRP404A, TRP404F, TRP67A, TRP67F, TYR329A, TYR329F, TYR339A, TYR339F, TYR352A, TYR352F, TYR393A, TYR393F, TYR447A, TYR447F, TYR51A, TYR51F, VAL342A, VAL342F, VAL349A, VAL349F, VAL41A, VAL41F
• B-C: ALA20B, ALA20C, ALA27B, ALA27C, ALA345B, ALA345C, ALA434B, ALA434C, ALA56B, ALA56C, ARG10B, ARG10C, ARG17B, ARG17C, ARG333B, ARG333C, ARG38B, ARG38C, ARG398B, ARG398C, ARG400B, ARG400C, ARG402B, ARG402C, ARG426B, ARG426C, ARG427B, ARG427C, ARG57B, ARG57C, ASN344B, ASN344C, ASN47B, ASN47C, ASN55B, ASN55C, ASN71B, ASP15B, ASP15C, ASP394B, ASP40B, ASP40C, ASP432B, ASP432C, ASP440B, ASP440C, ASP48B, ASP48C, ASP53B, ASP53C, ASP68B, ASP68C, ASP69B, ASP69C, ASP8B, ASP8C, GLN343B, GLN343C, GLN348B, GLN348C, GLN44B, GLN44C, GLN58B, GLN58C, GLN65C, GLU12B, GLU12C, GLU28B, GLU28C, GLU330B, GLU330C, GLU337B, GLU337C, GLU356B, GLU356C, GLU397B, GLU397C, GLU430B, GLU430C, GLU435B, GLU435C, GLU439B, GLU439C, GLU49B, GLU49C, GLU70B, GLU70C, GLY19B, GLY19C, GLY338B, GLY338C, GLY403B, GLY403C, GLY428B, GLY428C, GLY54B, GLY54C, ILE23B, ILE23C, ILE26B, ILE26C, ILE45B, ILE45C, ILE46B, ILE46C, LEU13B, LEU13C, LEU14B, LEU14C, LEU279B, LEU279C, LEU334B, LEU334C, LEU399B, LEU399C, LEU401B, LEU401C, LEU436B, LEU436C, LEU437B, LEU437C, LEU438B, LEU438C, LEU50B, LEU50C, LEU52B, LEU52C, LYS21B, LYS21C, LYS341B, LYS341C, LYS453C, MET431B, MET431C, PHE18B, PHE18C, PHE429B, PHE429C, PHE433B, PHE433C, PHE43C, PRO452B, SER11B, SER11C, SER16B, SER16C, SER22B, SER22C, SER24B, SER24C, SER29B, SER29C, SER346B, SER346C, SER396B, SER396C, THR25B, THR25C, THR340B, THR340C, THR66C, THR7B, THR7C, TRP404B, TRP404C, TRP67B, TRP67C, TYR329B, TYR329C, TYR339B, TYR339C, TYR352B, TYR352C, TYR393B, TYR447B, TYR447C, TYR51B, TYR51C, VAL342B, VAL342C, VAL349B, VAL349C, VAL41B, VAL41C
• B-D: ALA20B, ALA443B, ALA95D, ARG10B, ARG10D, ARG17B, ARG38B, ARG38D, ARG402B, ARG99D, ASP15B, ASP15D, ASP39D, ASP40D, ASP432B, ASP440B, ASP8B, ASP8D, GLN5B, GLN5D, GLN92D, GLU12B, GLU12D, GLU36D, GLU435B, GLU439B, GLU70B, GLU70D, GLU88D, GLU89D, GLY19B, GLY307D, HIS35D, HIS451B, ILE96D, LEU13B, LEU13D, LEU14B, LEU14D, LEU306D, LEU332D, LEU34D, LEU436B, LEU9B, LEU9D, LYS3B, LYS3D, LYS4D, LYS74D, LYS87D, MET37D, PHE433B, PRO91D, SER11B, SER11D, SER16B, SER22D, THR7B, THR7D, TYR305D, TYR328D, TYR447B, TYR90D, VAL41D, VAL6B, VAL6D
• B-F: ALA20F, ALA443F, ALA95B, ARG10B, ARG10F, ARG17F, ARG38B, ARG38F, ARG402F, ARG99B, ASN81B, ASP15B, ASP15F, ASP39B, ASP432F, ASP440F, ASP8B, ASP8F, GLN5B, GLN5F, GLN92B, GLU12B, GLU12F, GLU36B, GLU435F, GLU439F, GLU70B, GLU70F, GLU88B, GLU89B, GLY19F, GLY307B, GLY308B, HIS35B, ILE96B, LEU13B, LEU13F, LEU14B, LEU14F, LEU306B, LEU332B, LEU34B, LEU436F, LEU9B, LEU9F, LYS3B, LYS3F, LYS446F, LYS4B, LYS74B, LYS87B, MET37B, PHE433F, PRO91B, SER11B, SER11F, SER16F, SER22B, SER93B, THR7B, THR7F, TYR305B, TYR328B, TYR447F, TYR51F, TYR90B, VAL6B, VAL6F
• C-D: ALA105C, ALA105D, ALA112C, ALA112D, ALA118C, ALA118D, ALA129C, ALA129D, ALA170C, ALA170D, ALA27C, ALA27D, ALA280C, ALA280D, ALA314C, ALA314D, ALA321C, ALA321D, ALA326C, ALA326D, ALA42C, ALA42D, ALA56C, ALA56D, ALA61C, ALA61D, ALA94C, ALA94D, ALA95C, ALA95D, ARG142C, ARG142D, ARG171C, ARG171D, ARG17C, ARG17D, ARG319C, ARG319D, ARG31C, ARG31D, ARG333C, ARG333D, ARG336C, ARG336D, ARG38C, ARG38D, ARG400C, ARG400D, ARG422C, ARG422D, ARG426C, ARG426D, ARG427C, ARG427D, ARG57C, ARG57D, ARG99C, ARG99D, ASN102C, ASN102D, ASN115C, ASN115D, ASN302C, ASN302D, ASN316C, ASN316D, ASN47C, ASN47D, ASN55C, ASN55D, ASN59C, ASN59D, ASN71C, ASN71D, ASN81C, ASN81D, ASN83C, ASN83D, ASP106C, ASP106D, ASP153C, ASP153D, ASP174C, ASP174D, ASP39C, ASP39D, ASP40C, ASP40D, ASP48C, ASP48D, ASP53C, ASP53D, ASP68C, ASP68D, ASP69C, ASP69D, ASP77C, ASP77D, ASP86C, ASP86D, CYS100C, CYS100D, CYS165C, CYS165D, CYS284C, CYS284D, CYS64C, CYS64D, GLN117C, GLN117D, GLN163C, GLN163D, GLN297C, GLN297D, GLN323C, GLN323D, GLN327C, GLN327D, GLN343C, GLN405C, GLN405D, GLN44C, GLN44D, GLN58D, GLN65C, GLN65D, GLN92C, GLN92D, GLU128C, GLU128D, GLU28C, GLU28D, GLU298C, GLU298D, GLU330C, GLU330D, GLU337C, GLU337D, GLU36C, GLU36D, GLU49C, GLU49D, GLU70C, GLU70D, GLU88C, GLU88D, GLU89C, GLU89D, GLY116C, GLY116D, GLY125C, GLY125D, GLY278C, GLY278D, GLY283C, GLY283D, GLY322C, GLY322D, GLY335C, GLY335D, GLY338C, GLY338D, GLY54C, GLY54D, HIS109D, HIS167C, HIS167D, HIS275C, HIS275D, HIS35C, HIS35D, HIS73C, HIS73D, ILE124C, ILE124D, ILE164C, ILE164D, ILE26C, ILE26D, ILE315C, ILE315D, ILE325C, ILE325D, ILE45C, ILE45D, ILE46C, ILE46D, ILE80C, ILE80D, ILE85C, ILE85D, ILE96C, ILE96D, LEU107C, LEU107D, LEU132C, LEU132D, LEU177C, LEU279C, LEU279D, LEU282C, LEU282D, LEU295C, LEU295D, LEU299C, LEU299D, LEU306C, LEU306D, LEU332C, LEU332D, LEU334C, LEU334D, LEU34C, LEU34D, LEU50C, LEU50D, LEU52C, LEU52D, LEU60C, LEU60D, LEU75C, LEU75D, LEU78C, LEU78D, LEU98C, LEU98D, LYS138C, LYS138D, LYS168C, LYS168D, LYS276C, LYS276D, LYS30C, LYS30D, LYS341C, LYS341D, LYS74C, LYS74D, LYS82C, LYS82D, LYS87C, LYS87D, MET103C, MET103D, MET131C, MET131D, MET135C, MET135D, MET37C, MET37D, MET76C, MET76D, PHE169C, PHE169D, PHE249C, PHE249D, PHE253C, PHE253D, PHE301C, PHE301D, PHE313C, PHE313D, PHE317C, PHE317D, PHE32C, PHE32D, PHE331C, PHE331D, PHE43C, PHE43D, PHE63C, PHE63D, PRO113C, PRO113D, PRO252C, PRO252D, PRO281C, PRO281D, PRO296C, PRO296D, PRO320C, PRO320D, PRO33C, PRO33D, PRO407C, PRO407D, PRO91C, PRO91D, SER126C, SER126D, SER127C, SER127D, SER273C, SER273D, SER29C, SER29D, SER318C, SER318D, SER79C, SER79D, SER93C, SER93D, THR123C, THR123D, THR212C, THR212D, THR312C, THR312D, THR340C, THR340D, THR62C, THR62D, THR66C, THR66D, TRP108C, TRP108D, TRP139C, TRP139D, TRP166C, TRP166D, TRP173C, TRP173D, TRP67C, TRP67D, TRP84C, TRP84D, TYR172C, TYR172D, TYR328C, TYR328D, TYR329C, TYR329D, TYR339C, TYR339D, TYR51C, TYR51D, TYR90C, TYR90D, VAL101C, VAL101D, VAL104C, VAL104D, VAL175C, VAL175D, VAL300C, VAL300D, VAL303C, VAL303D, VAL324C, VAL324D, VAL342C, VAL342D, VAL41C, VAL41D, VAL72C, VAL72D
• C-E: ALA20E, ALA443E, ALA95C, ARG10C, ARG10E, ARG17E, ARG38C, ARG38E, ARG402E, ARG99C, ASP15C, ASP15E, ASP39C, ASP40C, ASP432E, ASP440E, ASP8C, ASP8E, GLN5C, GLN5E, GLN92C, GLU12C, GLU12E, GLU36C, GLU435E, GLU439E, GLU70C, GLU70E, GLU88C, GLU89C, GLY19E, GLY307C, HIS35C, ILE96C, LEU13C, LEU13E, LEU14C, LEU14E, LEU306C, LEU332C, LEU34C, LEU436E, LEU9C, LEU9E, LYS3C, LYS3E, LYS446E, LYS4C, LYS74C, LYS87C, MET37C, PHE433E, PRO91C, SER11C, SER11E, SER16E, SER22C, THR7C, THR7E, TYR305C, TYR328C, TYR447E, TYR90C, VAL6C, VAL6E
• D-E: ALA20D, ALA20E, ALA27D, ALA27E, ALA345D, ALA345E, ALA434D, ALA434E, ALA56E, ARG10D, ARG10E, ARG17D, ARG17E, ARG333D, ARG333E, ARG38D, ARG38E, ARG398D, ARG398E, ARG400D, ARG400E, ARG402D, ARG402E, ARG426D, ARG426E, ARG427D, ARG427E, ARG57D, ARG57E, ASN344D, ASN344E, ASN47D, ASN47E, ASN55D, ASN55E, ASN71D, ASN71E, ASP15D, ASP15E, ASP394D, ASP394E, ASP40D, ASP40E, ASP432D, ASP432E, ASP440D, ASP440E, ASP48D, ASP48E, ASP53D, ASP53E, ASP68D, ASP68E, ASP69D, ASP69E, ASP8D, ASP8E, GLN343D, GLN343E, GLN348D, GLN348E, GLN405D, GLN405E, GLN44D, GLN44E, GLN58D, GLN58E, GLU12D, GLU12E, GLU28D, GLU28E, GLU330D, GLU330E, GLU337D, GLU337E, GLU356D, GLU356E, GLU397D, GLU397E, GLU430D, GLU430E, GLU435D, GLU435E, GLU439D, GLU439E, GLU49D, GLU49E, GLU70D, GLU70E, GLY19D, GLY19E, GLY338D, GLY338E, GLY389D, GLY403D, GLY403E, GLY428D, GLY428E, GLY54D, GLY54E, HIS451D, ILE23D, ILE23E, ILE26D, ILE26E, ILE45D, ILE45E, ILE46D, ILE46E, LEU13D, LEU13E, LEU14D, LEU14E, LEU279D, LEU279E, LEU334D, LEU334E, LEU399D, LEU399E, LEU401D, LEU401E, LEU436D, LEU436E, LEU437D, LEU437E, LEU438D, LEU438E, LEU454E, LEU50D, LEU50E, LEU52D, LEU52E, LYS21D, LYS21E, LYS341D, LYS341E, LYS453E, MET431D, MET431E, PHE18D, PHE18E, PHE429D, PHE429E, PHE433D, PHE433E, PRO452D, SER11D, SER11E, SER16D, SER16E, SER22D, SER22E, SER24D, SER24E, SER29D, SER29E, SER346D, SER346E, SER396D, SER396E, THR25D, THR25E, THR340D, THR340E, THR66D, THR66E, THR7D, THR7E, TRP404D, TRP404E, TRP67D, TRP67E, TYR329D, TYR329E, TYR339D, TYR339E, TYR352D, TYR352E, TYR393D, TYR447D, TYR447E, TYR51D, TYR51E, VAL342D, VAL342E, VAL349D, VAL349E, VAL41D, VAL41E
• D-F: ALA20D, ALA443D, ALA95F, ARG10D, ARG10F, ARG17D, ARG38D, ARG38F, ARG402D, ARG99F, ASP15D, ASP39F, ASP40F, ASP432D, ASP440D, ASP8D, ASP8F, GLN5D, GLN5F, GLN92F, GLU12D, GLU12F, GLU36F, GLU435D, GLU439D, GLU70D, GLU70F, GLU88F, GLU89F, GLY19D, GLY307F, GLY308F, HIS35F, ILE96F, LEU13D, LEU13F, LEU14D, LEU14F, LEU306F, LEU332F, LEU34F, LEU436D, LEU9D, LEU9F, LYS3D, LYS3F, LYS446D, LYS4F, LYS74F, LYS87F, MET37F, PHE433D, PRO91F, SER11D, SER11F, SER16D, SER22F, THR7D, THR7F, TYR305F, TYR328F, TYR447D, TYR90F, VAL6D, VAL6F
• E-F: ALA105E, ALA105F, ALA112E, ALA112F, ALA118E, ALA118F, ALA129E, ALA129F, ALA170E, ALA170F, ALA27E, ALA27F, ALA280E, ALA280F, ALA314E, ALA314F, ALA321E, ALA321F, ALA326E, ALA326F, ALA42E, ALA42F, ALA56E, ALA56F, ALA61E, ALA61F, ALA94E, ALA94F, ALA95E, ALA95F, ARG142E, ARG142F, ARG171E, ARG171F, ARG17E, ARG17F, ARG319E, ARG319F, ARG31E, ARG31F, ARG333E, ARG333F, ARG336E, ARG336F, ARG38E, ARG38F, ARG400E, ARG400F, ARG422E, ARG422F, ARG426E, ARG426F, ARG427E, ARG427F, ARG57E, ARG57F, ARG99E, ARG99F, ASN102E, ASN102F, ASN115E, ASN115F, ASN302E, ASN302F, ASN316E, ASN316F, ASN47E, ASN47F, ASN55E, ASN55F, ASN59E, ASN59F, ASN71E, ASN71F, ASN81E, ASN81F, ASN83E, ASN83F, ASP106E, ASP106F, ASP153E, ASP153F, ASP174E, ASP174F, ASP39E, ASP39F, ASP40E, ASP40F, ASP48E, ASP48F, ASP53E, ASP53F, ASP68E, ASP68F, ASP69E, ASP69F, ASP77E, ASP77F, ASP86E, ASP86F, ASP97F, CYS100E, CYS100F, CYS130F, CYS165E, CYS165F, CYS284E, CYS284F, CYS64E, CYS64F, GLN117E, GLN117F, GLN163E, GLN163F, GLN297E, GLN297F, GLN323E, GLN323F, GLN327E, GLN327F, GLN405E, GLN405F, GLN44E, GLN44F, GLN58E, GLN65E, GLN65F, GLN92E, GLN92F, GLU128E, GLU128F, GLU28E, GLU28F, GLU298E, GLU298F, GLU330E, GLU330F, GLU337E, GLU337F, GLU36E, GLU36F, GLU49E, GLU49F, GLU70E, GLU70F, GLU88E, GLU88F, GLU89E, GLU89F, GLY116E, GLY116F, GLY125E, GLY125F, GLY248E, GLY278E, GLY278F, GLY283E, GLY283F, GLY322E, GLY322F, GLY335E, GLY335F, GLY338E, GLY338F, GLY54E, GLY54F, HIS109F, HIS167E, HIS167F, HIS275E, HIS275F, HIS35E, HIS35F, HIS73E, HIS73F, ILE124E, ILE124F, ILE164E, ILE164F, ILE26E, ILE26F, ILE315E, ILE315F, ILE325E, ILE325F, ILE45E, ILE45F, ILE46E, ILE46F, ILE80E, ILE80F, ILE85E, ILE85F, ILE96E, ILE96F, LEU107E, LEU107F, LEU132E, LEU132F, LEU177E, LEU279E, LEU279F, LEU282E, LEU282F, LEU295E, LEU299E, LEU299F, LEU306E, LEU306F, LEU332E, LEU332F, LEU334E, LEU334F, LEU34E, LEU34F, LEU50E, LEU50F, LEU52E, LEU52F, LEU60E, LEU60F, LEU75E, LEU75F, LEU78E, LEU78F, LEU98E, LEU98F, LYS114E, LYS114F, LYS138E, LYS138F, LYS168E, LYS168F, LYS276E, LYS276F, LYS30E, LYS30F, LYS341E, LYS341F, LYS74E, LYS74F, LYS82E, LYS82F, LYS87E, LYS87F, MET103E, MET103F, MET131E, MET131F, MET135E, MET135F, MET37E, MET37F, MET76E, MET76F, PHE169E, PHE169F, PHE249E, PHE249F, PHE253E, PHE253F, PHE301E, PHE301F, PHE313E, PHE313F, PHE317E, PHE317F, PHE32E, PHE32F, PHE331E, PHE331F, PHE43E, PHE43F, PHE63E, PHE63F, PRO113E, PRO113F, PRO252E, PRO252F, PRO281E, PRO281F, PRO296E, PRO296F, PRO320E, PRO320F, PRO33E, PRO33F, PRO407E, PRO407F, PRO91E, PRO91F, SER126E, SER126F, SER127E, SER127F, SER273E, SER273F, SER29E, SER29F, SER318E, SER318F, SER79E, SER79F, SER93E, SER93F, THR123E, THR123F, THR212E, THR212F, THR312E, THR312F, THR340E, THR340F, THR62E, THR62F, THR66E, THR66F, TRP108E, TRP108F, TRP139E, TRP139F, TRP166E, TRP166F, TRP173E, TRP173F, TRP67E, TRP67F, TRP84E, TRP84F, TYR172E, TYR172F, TYR305E, TYR328E, TYR328F, TYR329E, TYR329F, TYR339E, TYR339F, TYR51E, TYR51F, TYR90E, TYR90F, VAL101E, VAL101F, VAL104E, VAL104F, VAL175E, VAL175F, VAL300E, VAL300F, VAL303E, VAL303F, VAL324E, VAL324F, VAL342E, VAL342F, VAL41E, VAL41F, VAL72E, VAL72F