A0A077ZCD0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,222 aa.

						>A0A077ZCD0_TRITR|A0A077ZCD0
MSAGHSSPTMEHGKGRHAEYFLETFPTATSFMVRTNDISAVSDRDSLDIATLVEMNPKEFVERLTRIRDNKRNVLEAMGKLKNKFEGDRYTLSGQIDKSKLQRLVSLYDDLKKQEDEYLCIFRSVFPGKHGSTDSLPGATAAGSGATSSPTGSTGSRKASCSFKATSGDLIEQQNLKKSSWCPNVAMTGSSDSAFFELQEAQDALVKMLDQHRTMQGLDVNKSVEQVQQRQQQEFTKADLNKQREKLLAKQVELERLKSKLESFKMLCSQSSGAMADQSNGDGPGDVDDEEFVQERLNLLREKKQHMEGLLRELHRFEEDIGQAIAPQLCLPTASPSSVNSLLGNELRVVDESATSGKLTQNTSDSVASDNEHEAKRHLENQIQSHMQTIQKLKEEQGRLVAMKNQLLMLNSAAEQQQAAYVEGLAAPNSRSLKQMGNFQPSAFGGMQESLARRRPVFVSSNNSSAGISDDDDSFDHVEDLQEPDQAVVVRNAGQKVAPAAFASSGYRRNNGVEEVGDLMGIRRAKKQKDNVAEAVHQHSFKSAGDAVGRKGSLTNFGTSTVEQQYQQLQQHIDSIRAIFKEVALIGAAADESPPNRQQCDNSLCSGHRNSMCCFNSQQQAVMLAVLTCQQQIQLQQMELASLRNWCHSTYGEGKDSSVLLLTTCNHSAVRPSRLDREEVEEAFHGRRRPPLWSNSHQKSAECRLPTGQEAYYNEAVFESPCTSFEESTNCRKRGSIEANERRGSKGRSGPANESIGGDPAFREEQGRSKDGIFFSDASTVGQFLSANEEVRQEMATLMELNKQRPEYLVQLLRQLQSLSMEQLETAGNDSKDGMKSEMRPVESGSRDNIAKKSAPLLQPLITASSEELRAVTPPQKLPTENYQSLNLSPRRQSLNVQDFLPLQQVEKNVVEKTKLIIEDVDRIMRTEFSNWESCFLDENALLMLRYALLLKLKECLFNDESGSLFLVKVSDELHPLLYAFIDRSFSECWPELRSNLETLLIRQLDTALRKPLDSSSVEALTKIGQGDSIGELVEHCAHLAPVEESLACQRDLCLDGDSAKACGNFLPMKIAFIDDLPSEDSAIRSEQSQATRDSSTDGASSLNSMEMVNAENCSDSVRFIENDKQEYSSVTVDYKAVHANRVKCVNTVTVHVPNDRERSGTRKATALAVDVPSSGKANDGRSSSQALIISEKLTAAPFRSDLSSRKLLLRKLNFLYCNLIG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	29	Very low	231 Å²	231	138.2 Å²	138.2	100%	1.138	83%	0.833	S	S	*	*				0	107.8	0	-61	173.1	129.5	0	0	105.1
2	S	28.6	Very low	29	Very low	124 Å²	124	138.8 Å²	138.8	87%	0.867	82%	0.819	S	S	*	*				63.8	118.9	77.2	-47.9	0	0	0	0	110.6
3	A	30.6	Very low	29.1	Very low	97 Å²	97	132.6 Å²	132.6	80%	0.802	80%	0.803	S	S	*	*			cis	-148.5	166.2	-5.6	0	0	0	0	0	106.9
4	G	31.1	Very low	29.7	Very low	68 Å²	68	137.8 Å²	137.8	70%	0.701	81%	0.809	S	S	*	*			cis	113.2	70.8	22.6	0	0	0	0	0	110.1
5	H	31.7	Very low	29.8	Very low	192 Å²	192	131.7 Å²	131.7	89%	0.889	79%	0.787	S	S	*	*			trans	-134.2	141.5	169	-80.5	-72.1	0	0	0	109.9
6	S	25.5	Very low	30.2	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-87.7	126.8	-167.4	48.5	0	0	0	0	113.3
7	S	26.2	Very low	30.7	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-74	135.6	164.1	-58.1	0	0	0	0	110.6
8	P	25.1	Very low	31.1	Very low	111 Å²	111	125.7 Å²	125.7	72%	0.721	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-73.1	138.8	175.7	30.1	-33.9	0	0	0	111.3	M10	P8-M10 PolarHBondContact O-N 3.16Å
9	T	27.8	Very low	31.4	Very low	146 Å²	146	125.3 Å²	125.3	90%	0.896	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-70.3	116.1	162	46.4	0	0	0	0	109
10	M	27.7	Very low	31.8	Very low	135 Å²	135	126 Å²	126	67%	0.665	71%	0.705	S	S	*	*			trans	-135.9	134	176.1	-86.1	-128	66.2	0	0	112	P8	P8-M10 PolarHBondContact O-N 3.16Å
11	E	27.2	Very low	32.1	Very low	185 Å²	185	121.1 Å²	121.1	86%	0.864	68%	0.677	S	S	*	*			trans	-77.4	119.7	178.6	-57	169.1	104.3	0	0	110.1
12	H	29	Very low	32.3	Very low	145 Å²	145	113.2 Å²	113.2	67%	0.671	64%	0.639	S	S	*	*			trans	-133.7	129.6	177	-75.9	-4.7	0	0	0	111.1
13	G	30.5	Very low	33.2	Very low	59 Å²	59	114.1 Å²	114.1	61%	0.608	63%	0.63	S	S	*	*	S	Bend	trans	152.9	-55.6	174.1	0	0	0	0	0	112.8	G15	G13-G15 PolarHBondContact O-N 2.77Å; G13-G15 VanDerWaalsContact O-N 3.11Å
14	K	36.8	Very low	33.9	Very low	205 Å²	205	112.8 Å²	112.8	89%	0.891	61%	0.611	S	S	*	*	S	Bend	trans	-76.2	96.6	-175.3	-61.8	179.2	-179.7	179.3	0	111.9
15	G	32	Very low	34.3	Very low	46 Å²	46	112.7 Å²	112.7	47%	0.474	59%	0.592	S	S	.	*	S	Bend	trans	153.2	-40.7	164.4	0	0	0	0	0	116.9	G13 H17 A18	G13-G15 PolarHBondContact O-N 2.77Å; G13-G15 VanDerWaalsContact O-N 3.11Å; G15-H17 PolarHBondContact O-N 2.93Å; G15-A18 PolarHBondContact O-N 2.76Å
16	R	36.3	Very low	34.5	Very low	165 Å²	165	108.4 Å²	108.4	62%	0.623	58%	0.581	S	S	*	*	H	α-helix	trans	-63.8	-17.2	-164.6	-64.6	-169.7	-175.3	-173.1	3.6	116.1	A18 E19 Y20	R16-A18 VanDerWaalsContact C-N 3.29Å; R16-A18 PolarHBondContact O-N 3.21Å; R16-E19 PolarHBondContact O-N 3.24Å; R16-Y20 PolarHBondContact O-N 3.29Å
17	H	38.8	Very low	35	Very low	116 Å²	116	108.4 Å²	108.4	54%	0.537	58%	0.577	S	S	.	*	H	α-helix	trans	-66.4	-28.3	178.5	-61.7	-62.5	0	0	0	113.5	G15	G15-H17 PolarHBondContact O-N 2.93Å
18	A	36.8	Very low	35.6	Very low	6 Å²	6	103.8 Å²	103.8	5%	0.05	55%	0.545	C	S	.	.	H	α-helix	trans	-76.9	-30.6	178.2	0	0	0	0	0	112.6	G15 R16 L22 K58 E62	G15-A18 PolarHBondContact O-N 2.76Å; R16-A18 VanDerWaalsContact C-N 3.29Å; R16-A18 PolarHBondContact O-N 3.21Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 3.08Å; A18-K58 HydrophobicContact CB-CG 4.09Å; A18-E62 HydrophobicContact CB-CG 4.32Å
19	E	37.5	Very low	36.2	Very low	119 Å²	119	104 Å²	104	56%	0.556	55%	0.545	S	S	*	.	H	α-helix	trans	-72.6	-49.2	-177.8	-64.2	168.9	146.2	0	0	110.6	R16 F21 L22 E23	R16-E19 PolarHBondContact O-N 3.24Å; E19-F21 VanDerWaalsContact C-N 3.26Å; E19-F21 PolarHBondContact O-N 3.44Å; E19-L22 PolarHBondContact O-N 2.82Å; E19-L22 VanDerWaalsContact O-N 3.08Å; E19-E23 PolarHBondContact O-N 2.87Å
20	Y	39.7	Very low	36.6	Very low	138 Å²	138	100.7 Å²	100.7	54%	0.541	53%	0.528	S	S	.	.	H	α-helix	trans	-57	-36.1	175.2	-104.1	-110.8	0	0	0	113.4	R16 E23 T24	R16-Y20 PolarHBondContact O-N 3.29Å; Y20-E23 PolarHBondContact O-N 3.38Å; Y20-T24 WeakPolarHBondContact O-CB 3.47Å; Y20-T24 PolarHBondContact O-N 3.49Å; Y20-T24 PolarHBondContact O-OG1 2.9Å
21	F	38.4	Very low	37.1	Very low	24 Å²	24	94.9 Å²	94.9	11%	0.105	50%	0.499	C	S	.	.	H	α-helix	trans	-69.1	-36	178.7	-162.4	-87.3	0	0	0	112	E19 T24 F25 V61 F122 F126	E19-F21 VanDerWaalsContact C-N 3.26Å; E19-F21 PolarHBondContact O-N 3.44Å; F21-T24 PolarHBondContact O-N 2.96Å; F21-F25 HydrophobicContact CD1-CD2 4.06Å; F21-F25 HydrophobicContact CD2-CD2 4.31Å; F21-F25 HydrophobicContact CD2-CE2 4.43Å; F21-F25 HydrophobicContact CE1-CB 4.42Å; F21-F25 AromaticContact CE1-CD2 3.62Å; F21-F25 HydrophobicContact CE1-CD2 3.62Å; F21-F25 HydrophobicContact CE1-CE2 4.31Å; F21-F25 HydrophobicContact CE1-CG 4.33Å; F21-F25 AromaticContact CE2-CD2 3.9Å; F21-F25 HydrophobicContact CE2-CD2 3.9Å; F21-F25 AromaticContact CE2-CE2 3.81Å; F21-F25 HydrophobicContact CE2-CE2 3.81Å; F21-F25 HydrophobicContact CG-CD2 4.38Å; F21-F25 AromaticContact CZ-CD2 3.52Å; F21-F25 HydrophobicContact CZ-CD2 3.52Å; F21-F25 AromaticContact CZ-CE2 3.73Å; F21-F25 HydrophobicContact CZ-CE2 3.73Å; F21-F25 HydrophobicContact CZ-CG 4.47Å; F21-F25 PolarHBondContact O-N 3.42Å; F21-V61 HydrophobicContact CB-CG1 4.47Å; F21-V61 HydrophobicContact CB-CG2 4.26Å; F21-V61 HydrophobicContact CD1-CG2 3.85Å; F21-V61 HydrophobicContact CD2-CG2 4.03Å; F21-V61 HydrophobicContact CE1-CG2 4.23Å; F21-V61 HydrophobicContact CE2-CG2 4.4Å; F21-V61 HydrophobicContact CG-CG2 3.75Å; F21-F122 AromaticContact CE2-CE2 3.78Å; F21-F122 HydrophobicContact CE2-CE2 3.78Å; F21-F122 AromaticContact CE2-CZ 3.95Å; F21-F122 HydrophobicContact CE2-CZ 3.95Å; F21-F122 AromaticContact CZ-CE2 3.68Å; F21-F122 HydrophobicContact CZ-CE2 3.68Å; F21-F122 HydrophobicContact CZ-CZ 4.09Å; F21-F126 HydrophobicContact CE1-CZ 4.46Å; F21-F126 HydrophobicContact CZ-CE2 4.17Å; F21-F126 HydrophobicContact CZ-CZ 4.25Å
22	L	41.7	Very low	37.5	Very low	65 Å²	65	94.1 Å²	94.1	34%	0.34	50%	0.497	S	S	.	.	H	α-helix	trans	-75.9	-31.4	176.8	-67.5	168.9	0	0	0	112.5	A18 E19 T24 F25 P26 K58	A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 3.08Å; E19-L22 PolarHBondContact O-N 2.82Å; E19-L22 VanDerWaalsContact O-N 3.08Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-F25 CarbonylContact O-C 3.53Å; L22-P26 WeakPolarHBondContact O-CA 3.48Å; L22-K58 HydrophobicContact CD1-CB 4.3Å; L22-K58 HydrophobicContact CD1-CD 4.16Å; L22-K58 HydrophobicContact CD1-CG 4.14Å
23	E	46	Very low	37.9	Very low	144 Å²	144	89 Å²	89	67%	0.673	48%	0.476	S	S	*	.	H	α-helix	trans	-64.7	-35.7	167.7	-70.8	-176.6	131.5	0	0	111.9	E19 Y20	E19-E23 PolarHBondContact O-N 2.87Å; Y20-E23 PolarHBondContact O-N 3.38Å
24	T	45.4	Very low	38.2	Very low	68 Å²	68	95 Å²	95	42%	0.417	48%	0.48	S	S	.	.	H	α-helix	trans	-76.8	-34.1	179.1	-51	0	0	0	0	112.5	Y20 F21 L22	Y20-T24 WeakPolarHBondContact O-CB 3.47Å; Y20-T24 PolarHBondContact O-N 3.49Å; Y20-T24 PolarHBondContact O-OG1 2.9Å; F21-T24 PolarHBondContact O-N 2.96Å; L22-T24 VanDerWaalsContact C-N 3.31Å
25	F	39.2	Very low	38.2	Very low	66 Å²	66	90.2 Å²	90.2	29%	0.289	47%	0.468	S	S	.	.			trans	-129.2	64	-176.4	-60.6	-75.1	0	0	0	112.9	F21 L22 T27 A28	F21-F25 HydrophobicContact CD1-CD2 4.06Å; F21-F25 HydrophobicContact CD2-CD2 4.31Å; F21-F25 HydrophobicContact CD2-CE2 4.43Å; F21-F25 HydrophobicContact CE1-CB 4.42Å; F21-F25 AromaticContact CE1-CD2 3.62Å; F21-F25 HydrophobicContact CE1-CD2 3.62Å; F21-F25 HydrophobicContact CE1-CE2 4.31Å; F21-F25 HydrophobicContact CE1-CG 4.33Å; F21-F25 AromaticContact CE2-CD2 3.9Å; F21-F25 HydrophobicContact CE2-CD2 3.9Å; F21-F25 AromaticContact CE2-CE2 3.81Å; F21-F25 HydrophobicContact CE2-CE2 3.81Å; F21-F25 HydrophobicContact CG-CD2 4.38Å; F21-F25 AromaticContact CZ-CD2 3.52Å; F21-F25 HydrophobicContact CZ-CD2 3.52Å; F21-F25 AromaticContact CZ-CE2 3.73Å; F21-F25 HydrophobicContact CZ-CE2 3.73Å; F21-F25 HydrophobicContact CZ-CG 4.47Å; F21-F25 PolarHBondContact O-N 3.42Å; L22-F25 CarbonylContact O-C 3.53Å; F25-T27 PolarHBondContact O-N 2.81Å; F25-A28 HydrophobicContact CB-CB 4.04Å; F25-A28 WeakPolarHBondContact O-CB 3.21Å; F25-A28 PolarHBondContact O-N 3.44Å
26	P	36.6	Very low	38.6	Very low	103 Å²	103	94 Å²	94	67%	0.669	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.9	-174.6	26.6	-36.2	0	0	0	114.7	L22	L22-P26 WeakPolarHBondContact O-CA 3.48Å
27	T	36.6	Very low	38.9	Very low	115 Å²	115	89.8 Å²	89.8	71%	0.706	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.2	175.9	46	0	0	0	0	114.1	F25 T29	F25-T27 PolarHBondContact O-N 2.81Å; T27-T29 VanDerWaalsContact C-N 3.31Å; T27-T29 PolarHBondContact O-N 2.9Å
28	A	38.7	Very low	39.1	Very low	19 Å²	19	86 Å²	86	16%	0.157	45%	0.451	C	S	.	.			trans	-79.8	73.1	-179.3	0	0	0	0	0	111.9	F25 P57	F25-A28 HydrophobicContact CB-CB 4.04Å; F25-A28 WeakPolarHBondContact O-CB 3.21Å; F25-A28 PolarHBondContact O-N 3.44Å; A28-P57 HydrophobicContact CB-CB 4.3Å; A28-P57 HydrophobicContact CB-CG 4.13Å; A28-P57 WeakPolarHBondContact O-CG 3.25Å
29	T	36.6	Very low	39.4	Very low	116 Å²	116	89.7 Å²	89.7	71%	0.712	48%	0.476	S	S	*	.	S	Bend	trans	-88.2	-17.5	178	54.2	0	0	0	0	114	T27	T27-T29 VanDerWaalsContact C-N 3.31Å; T27-T29 PolarHBondContact O-N 2.9Å
30	S	37.1	Very low	39.7	Very low	76 Å²	76	88.3 Å²	88.3	53%	0.531	49%	0.485	S	S	.	.	S	Bend	trans	-157.2	146.9	179.8	173.1	0	0	0	0	110.6	M32	S30-M32 PolarHBondContact O-N 2.87Å
31	F	39.1	Very low	39.9	Very low	13 Å²	13	83.2 Å²	83.2	6%	0.057	47%	0.468	C	S	.	.			trans	-89.8	94.4	166.8	-67.1	-51.3	0	0	0	110.9	V33 M55 P57 F60 V125 F126	F31-V33 HydrophobicContact CB-CG2 4.37Å; F31-V33 PolarHBondContact O-N 3.31Å; F31-M55 WeakPolarHBondContact CD2-O 3.38Å; F31-P57 HydrophobicContact CD1-CG 3.99Å; F31-P57 HydrophobicContact CD2-CG 4.16Å; F31-P57 HydrophobicContact CE1-CB 3.97Å; F31-P57 HydrophobicContact CE1-CG 3.72Å; F31-P57 HydrophobicContact CE2-CB 4.06Å; F31-P57 HydrophobicContact CE2-CG 3.88Å; F31-P57 HydrophobicContact CG-CG 4.23Å; F31-P57 HydrophobicContact CZ-CB 3.61Å; F31-P57 HydrophobicContact CZ-CG 3.68Å; F31-F60 HydrophobicContact CE2-CB 3.56Å; F31-F60 HydrophobicContact CE2-CD2 4.03Å; F31-F60 AromaticContact CE2-CG 3.8Å; F31-F60 HydrophobicContact CE2-CG 3.8Å; F31-F60 HydrophobicContact CZ-CB 4.03Å; F31-F60 HydrophobicContact CZ-CD1 4.29Å; F31-F60 HydrophobicContact CZ-CD2 4.47Å; F31-F60 HydrophobicContact CZ-CG 4.02Å; F31-V125 HydrophobicContact CD1-CG1 3.6Å; F31-V125 HydrophobicContact CE1-CG1 4.05Å; F31-V125 HydrophobicContact CG-CG1 4.45Å; F31-F126 AromaticContact CE1-CE2 3.79Å; F31-F126 HydrophobicContact CE1-CE2 3.79Å; F31-F126 AromaticContact CE1-CZ 3.9Å; F31-F126 HydrophobicContact CE1-CZ 3.9Å
32	M	34.5	Very low	40.1	Very low	169 Å²	169	85.2 Å²	85.2	83%	0.833	49%	0.486	S	S	*	.			trans	-71.9	77	160.1	-77.3	-174	65.6	0	0	110.2	S30 R34	S30-M32 PolarHBondContact O-N 2.87Å; M32-R34 PolarHBondContact O-N 3.48Å; M32-R34 VanDerWaalsContact O-N 3.12Å
33	V	37.7	Very low	40.4	Very low	37 Å²	37	88.5 Å²	88.5	22%	0.224	50%	0.503	C	S	.	.			trans	-58	115	163.1	-176.6	0	0	0	0	107	F31 T35 I38 V53 V125	F31-V33 HydrophobicContact CB-CG2 4.37Å; F31-V33 PolarHBondContact O-N 3.31Å; V33-T35 PolarHBondContact O-N 3.45Å; V33-I38 HydrophobicContact CG1-CD1 4.08Å; V33-I38 HydrophobicContact CG1-CG1 3.81Å; V33-V53 HydrophobicContact CB-CG2 4.22Å; V33-V53 HydrophobicContact CG2-CG2 4.18Å; V33-V125 HydrophobicContact CG2-CG2 4.02Å
34	R	36.8	Very low	40.2	Very low	184 Å²	184	88.7 Å²	88.7	69%	0.694	50%	0.498	S	S	*	.			trans	-66.4	125.1	178.8	-71.3	177.8	178.4	151.7	0.4	108.6	M32 N36 D37	M32-R34 PolarHBondContact O-N 3.48Å; M32-R34 VanDerWaalsContact O-N 3.12Å; R34-N36 PolarHBondContact O-N 2.85Å; R34-D37 WeakPolarHBondContact CB-OD2 3.25Å; R34-D37 PolarHBondContact O-N 3Å
35	T	37.4	Very low	40	Very low	105 Å²	105	94 Å²	94	64%	0.644	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-58.2	-21.7	-176.6	42	0	0	0	0	113.8	V33 D37 I38	V33-T35 PolarHBondContact O-N 3.45Å; T35-D37 VanDerWaalsContact C-N 3.32Å; T35-D37 PolarHBondContact O-N 3.15Å; T35-I38 HydrophobicContact CG2-CD1 4.18Å
36	N	39.8	Very low	40.4	Very low	127 Å²	127	92.3 Å²	92.3	68%	0.679	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-69.1	-25.6	176.6	-61.7	-2.3	0	0	0	113.6	R34	R34-N36 PolarHBondContact O-N 2.85Å
37	D	42.9	Very low	41.1	Very low	76 Å²	76	89.1 Å²	89.1	41%	0.406	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-94.4	-6.7	-176.8	-56.7	-52.8	0	0	0	112.6	R34 T35 S39	R34-D37 WeakPolarHBondContact CB-OD2 3.25Å; R34-D37 PolarHBondContact O-N 3Å; T35-D37 VanDerWaalsContact C-N 3.32Å; T35-D37 PolarHBondContact O-N 3.15Å; D37-S39 VanDerWaalsContact C-N 3.29Å; D37-S39 PolarHBondContact O-N 3.07Å
38	I	42.7	Very low	41.9	Very low	35 Å²	35	87.9 Å²	87.9	18%	0.179	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.7	-174.9	-65.2	-176.3	0	0	0	112.8	V33 T35 A40 V41 S42 I49	V33-I38 HydrophobicContact CG1-CD1 4.08Å; V33-I38 HydrophobicContact CG1-CG1 3.81Å; T35-I38 HydrophobicContact CG2-CD1 4.18Å; I38-A40 VanDerWaalsContact C-N 3.26Å; I38-A40 PolarHBondContact O-N 2.6Å; I38-V41 PolarHBondContact O-N 2.89Å; I38-S42 PolarHBondContact O-N 3.22Å; I38-S42 PolarHBondContact O-OG 3.33Å; I38-I49 HydrophobicContact CG2-CD1 4.28Å; I38-I49 HydrophobicContact CG2-CG2 4.36Å
39	S	43.6	Very low	42.4	Very low	84 Å²	84	89 Å²	89	59%	0.587	49%	0.49	S	S	*	.	H	α-helix	trans	-58.6	-34.8	177.9	53.6	0	0	0	0	113.1	D37 V41	D37-S39 VanDerWaalsContact C-N 3.29Å; D37-S39 PolarHBondContact O-N 3.07Å; S39-V41 PolarHBondContact O-N 3.34Å
40	A	43.9	Very low	42.6	Very low	90 Å²	90	86.6 Å²	86.6	74%	0.744	48%	0.481	S	S	*	.	H	α-helix	trans	-72.3	-14.8	177.8	0	0	0	0	0	114.1	I38	I38-A40 VanDerWaalsContact C-N 3.26Å; I38-A40 PolarHBondContact O-N 2.6Å
41	V	42.9	Very low	43.4	Very low	31 Å²	31	86 Å²	86	19%	0.188	47%	0.474	C	S	.	.	H	α-helix	trans	-105.9	-22.2	-177.7	-169.9	0	0	0	0	111.8	I38 S39 D43 L47 I49	I38-V41 PolarHBondContact O-N 2.89Å; S39-V41 PolarHBondContact O-N 3.34Å; V41-D43 VanDerWaalsContact C-N 3.34Å; V41-D43 PolarHBondContact O-N 3.16Å; V41-L47 HydrophobicContact CG1-CD2 4.5Å; V41-I49 HydrophobicContact CB-CD1 4.14Å; V41-I49 HydrophobicContact CG1-CD1 3.89Å; V41-I49 HydrophobicContact CG1-CG1 4.18Å
42	S	42.5	Very low	43.9	Very low	67 Å²	67	85.7 Å²	85.7	47%	0.469	47%	0.473	S	S	.	.	H	α-helix	trans	-68.6	-25.9	-172.2	-61.1	0	0	0	0	114.5	I38 R44	I38-S42 PolarHBondContact O-N 3.22Å; I38-S42 PolarHBondContact O-OG 3.33Å; S42-R44 PolarHBondContact O-N 2.74Å
43	D	47.5	Very low	44.6	Very low	133 Å²	133	80.3 Å²	80.3	71%	0.711	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	23.5	-176.2	-73	-6.5	0	0	0	113.9	V41	V41-D43 VanDerWaalsContact C-N 3.34Å; V41-D43 PolarHBondContact O-N 3.16Å
44	R	42.2	Very low	45.2	Very low	149 Å²	149	87 Å²	87	56%	0.562	48%	0.478	S	S	*	.			trans	-138.2	108.5	-178.8	-68.5	-169.4	174.9	-164.9	1.2	113.4	S42 S46 E117	S42-R44 PolarHBondContact O-N 2.74Å; R44-S46 PolarHBondContact O-N 3.24Å; R44-E117 IonicContact NH1-OE1 2.63Å
45	D	42.5	Very low	46.3	Very low	178 Å²	178	78.9 Å²	78.9	95%	0.952	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-3.3	178.2	-52.2	-63.7	0	0	0	115.4
46	S	47.2	Very low	47.7	Very low	32 Å²	32	77 Å²	77	22%	0.224	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-28.1	-177.8	24.3	0	0	0	0	114.3	R44 E117 R805	R44-S46 PolarHBondContact O-N 3.24Å; S46-E117 PolarHBondContact OG-OE1 2.98Å; S46-E117 PolarHBondContact OG-OE2 2.88Å; S46-R805 PolarHBondContact O-NH2 3.21Å
47	L	50.7	Low	48.6	Very low	36 Å²	36	71 Å²	71	19%	0.188	40%	0.403	C	S	.	.			trans	-128.1	118.9	-159.2	-158.8	66.3	0	0	0	113	V41 I49 L52 Y118 I121	V41-L47 HydrophobicContact CG1-CD2 4.5Å; L47-I49 PolarHBondContact O-N 3.36Å; L47-L52 HydrophobicContact CD1-CD1 3.92Å; L47-L52 HydrophobicContact CD2-CD1 3.65Å; L47-L52 HydrophobicContact CG-CD1 3.8Å; L47-Y118 HydrophobicContact CD1-CE2 4.07Å; L47-I121 HydrophobicContact CD2-CD1 3.61Å
48	D	54.6	Low	49.7	Very low	89 Å²	89	71.7 Å²	71.7	48%	0.476	40%	0.402	S	S	.	.			trans	-78.7	91.5	176.2	-174.8	-16.7	0	0	0	109.9	A50 T51 L52	D48-A50 PolarHBondContact O-N 3.22Å; D48-A50 WeakPolarHBondContact OD1-CB 3.44Å; D48-A50 PolarHBondContact OD1-N 3.38Å; D48-T51 HydrophobicContact CB-CG2 4.17Å; D48-T51 PolarHBondContact O-N 3.31Å; D48-T51 VanDerWaalsContact O-N 3.16Å; D48-T51 PolarHBondContact O-OG1 2.94Å; D48-T51 PolarHBondContact OD1-N 3.32Å; D48-T51 WeakPolarHBondContact OD2-CG2 3.4Å; D48-L52 PolarHBondContact O-N 3.46Å
49	I	47.5	Very low	51	Low	43 Å²	43	75 Å²	75	22%	0.221	42%	0.417	C	S	.	.	H	α-helix	trans	-57	-32.4	-176.2	-59.2	176.4	0	0	0	111.6	I38 V41 L47 L52 V53	I38-I49 HydrophobicContact CG2-CD1 4.28Å; I38-I49 HydrophobicContact CG2-CG2 4.36Å; V41-I49 HydrophobicContact CB-CD1 4.14Å; V41-I49 HydrophobicContact CG1-CD1 3.89Å; V41-I49 HydrophobicContact CG1-CG1 4.18Å; L47-I49 PolarHBondContact O-N 3.36Å; I49-L52 PolarHBondContact O-N 2.83Å; I49-L52 VanDerWaalsContact O-N 3.09Å; I49-V53 HydrophobicContact CG2-CG2 4.28Å; I49-V53 WeakPolarHBondContact O-CG2 3.37Å; I49-V53 PolarHBondContact O-N 3.43Å
50	A	42.2	Very low	52.4	Low	65 Å²	65	71.2 Å²	71.2	54%	0.537	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-46.5	178.8	0	0	0	0	0	111.2	D48 L52 V53 E54	D48-A50 PolarHBondContact O-N 3.22Å; D48-A50 WeakPolarHBondContact OD1-CB 3.44Å; D48-A50 PolarHBondContact OD1-N 3.38Å; A50-L52 PolarHBondContact O-N 3.09Å; A50-L52 VanDerWaalsContact O-N 3.09Å; A50-V53 PolarHBondContact O-N 3.31Å; A50-E54 PolarHBondContact O-N 3.34Å
51	T	52.3	Low	53.8	Low	63 Å²	63	67.7 Å²	67.7	39%	0.387	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-13.7	175.9	69	0	0	0	0	113.9	D48 M55	D48-T51 HydrophobicContact CB-CG2 4.17Å; D48-T51 PolarHBondContact O-N 3.31Å; D48-T51 VanDerWaalsContact O-N 3.16Å; D48-T51 PolarHBondContact O-OG1 2.94Å; D48-T51 PolarHBondContact OD1-N 3.32Å; D48-T51 WeakPolarHBondContact OD2-CG2 3.4Å; T51-M55 WeakPolarHBondContact O-CB 3.39Å
52	L	50.4	Low	55.4	Low	6 Å²	6	69.1 Å²	69.1	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-99.1	-30.2	-176.1	-139.3	157.3	0	0	0	112	L47 D48 I49 A50 M55 F60 I121	L47-L52 HydrophobicContact CD1-CD1 3.92Å; L47-L52 HydrophobicContact CD2-CD1 3.65Å; L47-L52 HydrophobicContact CG-CD1 3.8Å; D48-L52 PolarHBondContact O-N 3.46Å; I49-L52 PolarHBondContact O-N 2.83Å; I49-L52 VanDerWaalsContact O-N 3.09Å; A50-L52 PolarHBondContact O-N 3.09Å; A50-L52 VanDerWaalsContact O-N 3.09Å; L52-M55 HydrophobicContact CD2-CE 3.98Å; L52-M55 HydrophobicContact CG-CE 3.8Å; L52-F60 HydrophobicContact CD2-CD2 4.2Å; L52-F60 HydrophobicContact CD2-CE2 4.26Å; L52-I121 HydrophobicContact CD1-CD1 3.58Å; L52-I121 HydrophobicContact CD2-CD1 3.95Å; L52-I121 HydrophobicContact CD2-CG2 3.96Å; L52-I121 HydrophobicContact CG-CD1 4.42Å
53	V	48.9	Very low	57.1	Low	57 Å²	57	68.5 Å²	68.5	35%	0.345	35%	0.351	S	S	.	.	H	α-helix	trans	-70.9	-34.1	169.1	174.6	0	0	0	0	111.8	V33 I49 A50 M55	V33-V53 HydrophobicContact CB-CG2 4.22Å; V33-V53 HydrophobicContact CG2-CG2 4.18Å; I49-V53 HydrophobicContact CG2-CG2 4.28Å; I49-V53 WeakPolarHBondContact O-CG2 3.37Å; I49-V53 PolarHBondContact O-N 3.43Å; A50-V53 PolarHBondContact O-N 3.31Å; V53-M55 VanDerWaalsContact C-N 3.32Å
54	E	51.7	Low	58.8	Low	176 Å²	176	62.9 Å²	62.9	82%	0.822	32%	0.321	S	S	*	.	S	Bend	trans	-79	-11.5	175.8	-66.4	-170.6	156.4	0	0	114	A50	A50-E54 PolarHBondContact O-N 3.34Å
55	M	59.8	Low	60.6	Low	14 Å²	14	57.7 Å²	57.7	7%	0.069	31%	0.306	C	S	.	.			trans	-76.3	133.4	-168.5	-147.6	163.6	53.4	0	0	112.3	F31 T51 L52 V53 E59 F60 R63 Y118	F31-M55 WeakPolarHBondContact CD2-O 3.38Å; T51-M55 WeakPolarHBondContact O-CB 3.39Å; L52-M55 HydrophobicContact CD2-CE 3.98Å; L52-M55 HydrophobicContact CG-CE 3.8Å; V53-M55 VanDerWaalsContact C-N 3.32Å; M55-E59 HydrophobicContact CG-CB 3.87Å; M55-F60 HydrophobicContact CE-CB 3.92Å; M55-F60 HydrophobicContact CE-CD2 3.73Å; M55-F60 HydrophobicContact CE-CG 4.28Å; M55-R63 PolarHBondContact SD-NH1 2.9Å; M55-Y118 HydrophobicContact CE-CE1 4.02Å
56	N	65.9	Low	62.5	Low	66 Å²	66	55.5 Å²	55.5	35%	0.353	28%	0.284	S	S	.	.			trans	-69	144.5	177.8	-172.9	-78	0	0	0	110.8	K58 E59 F60	N56-K58 PolarHBondContact O-N 2.85Å; N56-K58 VanDerWaalsContact O-N 3.12Å; N56-K58 WeakPolarHBondContact OD1-CB 3.44Å; N56-K58 PolarHBondContact OD1-N 3.13Å; N56-E59 HydrophobicContact CB-CB 4.37Å; N56-E59 HydrophobicContact CB-CG 4.04Å; N56-E59 WeakPolarHBondContact CB-OE2 3.34Å; N56-E59 PolarHBondContact N-OE2 3.39Å; N56-E59 WeakPolarHBondContact O-CA 3.15Å; N56-E59 WeakPolarHBondContact O-CB 3.3Å; N56-E59 PolarHBondContact O-N 3.3Å; N56-F60 PolarHBondContact O-N 2.93Å
57	P	59.7	Low	64.3	Low	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.4	-31.7	175.7	-31.2	39.7	0	0	0	114.6	A28 F31 V61	A28-P57 HydrophobicContact CB-CB 4.3Å; A28-P57 HydrophobicContact CB-CG 4.13Å; A28-P57 WeakPolarHBondContact O-CG 3.25Å; F31-P57 HydrophobicContact CD1-CG 3.99Å; F31-P57 HydrophobicContact CD2-CG 4.16Å; F31-P57 HydrophobicContact CE1-CB 3.97Å; F31-P57 HydrophobicContact CE1-CG 3.72Å; F31-P57 HydrophobicContact CE2-CB 4.06Å; F31-P57 HydrophobicContact CE2-CG 3.88Å; F31-P57 HydrophobicContact CG-CG 4.23Å; F31-P57 HydrophobicContact CZ-CB 3.61Å; F31-P57 HydrophobicContact CZ-CG 3.68Å; P57-V61 WeakPolarHBondContact O-CG2 3.48Å; P57-V61 PolarHBondContact O-N 3.13Å
58	K	65.4	Low	65.9	Low	91 Å²	91	57.1 Å²	57.1	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-47.5	170.6	-168.7	-174.7	177.2	179.8	0	112.1	A18 L22 N56 F60 V61 E62	A18-K58 HydrophobicContact CB-CG 4.09Å; L22-K58 HydrophobicContact CD1-CB 4.3Å; L22-K58 HydrophobicContact CD1-CD 4.16Å; L22-K58 HydrophobicContact CD1-CG 4.14Å; N56-K58 PolarHBondContact O-N 2.85Å; N56-K58 VanDerWaalsContact O-N 3.12Å; N56-K58 WeakPolarHBondContact OD1-CB 3.44Å; N56-K58 PolarHBondContact OD1-N 3.13Å; K58-F60 VanDerWaalsContact C-N 3.33Å; K58-F60 PolarHBondContact O-N 2.86Å; K58-V61 PolarHBondContact O-N 2.99Å; K58-E62 VanDerWaalsContact CE-OE1 3.32Å; K58-E62 WeakPolarHBondContact CE-OE1 3.41Å; K58-E62 WeakPolarHBondContact O-CB 3.47Å; K58-E62 WeakPolarHBondContact O-CG 3.46Å; K58-E62 PolarHBondContact O-N 2.97Å
59	E	70.5	Confident	67.4	Low	106 Å²	106	55.8 Å²	55.8	50%	0.495	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-37.4	179.4	-66.4	176.2	133.2	0	0	111.6	M55 N56 E62 R63	M55-E59 HydrophobicContact CG-CB 3.87Å; N56-E59 HydrophobicContact CB-CB 4.37Å; N56-E59 HydrophobicContact CB-CG 4.04Å; N56-E59 WeakPolarHBondContact CB-OE2 3.34Å; N56-E59 PolarHBondContact N-OE2 3.39Å; N56-E59 WeakPolarHBondContact O-CA 3.15Å; N56-E59 WeakPolarHBondContact O-CB 3.3Å; N56-E59 PolarHBondContact O-N 3.3Å; E59-E62 PolarHBondContact O-N 3.19Å; E59-R63 WeakPolarHBondContact O-CB 2.91Å; E59-R63 PolarHBondContact O-N 3.04Å
60	F	73.4	Confident	69.3	Low	3 Å²	3	56.4 Å²	56.4	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-48.5	173.3	178.7	-80.6	0	0	0	112	F31 L52 M55 N56 K58 E62 R63 L64 Y118 I121 F122	F31-F60 HydrophobicContact CE2-CB 3.56Å; F31-F60 HydrophobicContact CE2-CD2 4.03Å; F31-F60 AromaticContact CE2-CG 3.8Å; F31-F60 HydrophobicContact CE2-CG 3.8Å; F31-F60 HydrophobicContact CZ-CB 4.03Å; F31-F60 HydrophobicContact CZ-CD1 4.29Å; F31-F60 HydrophobicContact CZ-CD2 4.47Å; F31-F60 HydrophobicContact CZ-CG 4.02Å; L52-F60 HydrophobicContact CD2-CD2 4.2Å; L52-F60 HydrophobicContact CD2-CE2 4.26Å; M55-F60 HydrophobicContact CE-CB 3.92Å; M55-F60 HydrophobicContact CE-CD2 3.73Å; M55-F60 HydrophobicContact CE-CG 4.28Å; N56-F60 PolarHBondContact O-N 2.93Å; K58-F60 VanDerWaalsContact C-N 3.33Å; K58-F60 PolarHBondContact O-N 2.86Å; F60-E62 PolarHBondContact O-N 3.41Å; F60-R63 PolarHBondContact O-N 3.28Å; F60-L64 HydrophobicContact CE1-CD2 4.34Å; F60-L64 WeakPolarHBondContact O-CB 3.33Å; F60-L64 PolarHBondContact O-N 2.83Å; F60-Y118 AromaticContact CD2-CD1 3.94Å; F60-Y118 HydrophobicContact CD2-CD1 3.94Å; F60-Y118 HydrophobicContact CD2-CE1 4.11Å; F60-Y118 AromaticContact CE2-CD1 3.59Å; F60-Y118 HydrophobicContact CE2-CD1 3.59Å; F60-Y118 HydrophobicContact CE2-CE1 4.16Å; F60-Y118 HydrophobicContact CE2-CG 4.33Å; F60-Y118 AromaticContact CZ-CD1 3.94Å; F60-Y118 HydrophobicContact CZ-CD1 3.94Å; F60-Y118 WeakPolarHBondContact CZ-O 3.46Å; F60-I121 HydrophobicContact CE2-CB 4.47Å; F60-I121 HydrophobicContact CE2-CG2 4.05Å; F60-F122 HydrophobicContact CE1-CB 4.31Å; F60-F122 AromaticContact CE1-CD2 3.83Å; F60-F122 HydrophobicContact CE1-CD2 3.83Å; F60-F122 HydrophobicContact CZ-CB 4.09Å; F60-F122 HydrophobicContact CZ-CD2 4.39Å
61	V	72.6	Confident	71.5	Confident	17 Å²	17	54.9 Å²	54.9	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-40.4	177.4	171.8	0	0	0	0	111	F21 P57 K58 T65	F21-V61 HydrophobicContact CB-CG1 4.47Å; F21-V61 HydrophobicContact CB-CG2 4.26Å; F21-V61 HydrophobicContact CD1-CG2 3.85Å; F21-V61 HydrophobicContact CD2-CG2 4.03Å; F21-V61 HydrophobicContact CE1-CG2 4.23Å; F21-V61 HydrophobicContact CE2-CG2 4.4Å; F21-V61 HydrophobicContact CG-CG2 3.75Å; P57-V61 WeakPolarHBondContact O-CG2 3.48Å; P57-V61 PolarHBondContact O-N 3.13Å; K58-V61 PolarHBondContact O-N 2.99Å; V61-T65 VanDerWaalsContact O-CB 3.31Å; V61-T65 WeakPolarHBondContact O-CB 3.31Å; V61-T65 PolarHBondContact O-N 3.02Å; V61-T65 PolarHBondContact O-OG1 3.15Å
62	E	76.9	Confident	73.2	Confident	61 Å²	61	59.7 Å²	59.7	29%	0.285	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-41.6	171.6	-77.1	-171	-144.9	0	0	112.6	A18 K58 E59 F60 T65 R66	A18-E62 HydrophobicContact CB-CG 4.32Å; K58-E62 VanDerWaalsContact CE-OE1 3.32Å; K58-E62 WeakPolarHBondContact CE-OE1 3.41Å; K58-E62 WeakPolarHBondContact O-CB 3.47Å; K58-E62 WeakPolarHBondContact O-CG 3.46Å; K58-E62 PolarHBondContact O-N 2.97Å; E59-E62 PolarHBondContact O-N 3.19Å; F60-E62 PolarHBondContact O-N 3.41Å; E62-T65 PolarHBondContact O-N 2.94Å; E62-R66 WeakPolarHBondContact O-CG 3.36Å; E62-R66 PolarHBondContact O-N 3.29Å; E62-R66 IonicContact OE2-CZ 3.38Å; E62-R66 IonicContact OE2-NH2 3.54Å; E62-R66 PolarHBondContact OE2-NH2 3.11Å
63	R	78.5	Confident	75	Confident	53 Å²	53	63.7 Å²	63.7	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-69.8	-42.7	-178	-159.5	163.3	-173.9	-163.9	1.6	111	M55 E59 F60 R66 I67 Y118 Q804	M55-R63 PolarHBondContact SD-NH1 2.9Å; E59-R63 WeakPolarHBondContact O-CB 2.91Å; E59-R63 PolarHBondContact O-N 3.04Å; F60-R63 PolarHBondContact O-N 3.28Å; R63-R66 PolarHBondContact O-N 2.81Å; R63-I67 WeakPolarHBondContact O-CG1 3.5Å; R63-I67 PolarHBondContact O-N 3.19Å; R63-Y118 HydrophobicContact CB-CE1 4.1Å; R63-Y118 WeakPolarHBondContact CD-OH 3.27Å; R63-Y118 HydrophobicContact CG-CE1 4.01Å; R63-Y118 VanDerWaalsContact CZ-OH 3.27Å; R63-Y118 PolarHBondContact NE-OH 2.99Å; R63-Y118 VanDerWaalsContact NE-OH 3.15Å; R63-Y118 PolarHBondContact NH1-OH 3.46Å; R63-Q804 VanDerWaalsContact CZ-OE1 3.28Å
64	L	81.9	Confident	76.9	Confident	16 Å²	16	61.4 Å²	61.4	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-40	171.1	179.9	60.1	0	0	0	112.2	F60 I67 R68 E115 Y118 L119	F60-L64 HydrophobicContact CE1-CD2 4.34Å; F60-L64 WeakPolarHBondContact O-CB 3.33Å; F60-L64 PolarHBondContact O-N 2.83Å; L64-I67 PolarHBondContact O-N 3.34Å; L64-R68 WeakPolarHBondContact O-CG 3.24Å; L64-R68 PolarHBondContact O-N 3.21Å; L64-E115 HydrophobicContact CD1-CG 4.06Å; L64-Y118 HydrophobicContact CB-CD1 4.48Å; L64-L119 HydrophobicContact CD2-CD2 4.24Å
65	T	80.3	Confident	78.6	Confident	39 Å²	39	57.1 Å²	57.1	24%	0.239	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-43.7	175.2	-57.4	0	0	0	0	111.2	V61 E62 I67 R68 D69	V61-T65 VanDerWaalsContact O-CB 3.31Å; V61-T65 WeakPolarHBondContact O-CB 3.31Å; V61-T65 PolarHBondContact O-N 3.02Å; V61-T65 PolarHBondContact O-OG1 3.15Å; E62-T65 PolarHBondContact O-N 2.94Å; T65-I67 PolarHBondContact O-N 2.86Å; T65-R68 PolarHBondContact O-N 3.09Å; T65-D69 PolarHBondContact O-N 3.09Å
66	R	82.9	Confident	79.9	Confident	132 Å²	132	61 Å²	61	50%	0.498	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-37.5	176	-68.3	167.9	-155.9	-162.7	10	112.4	E62 R63 N70	E62-R66 WeakPolarHBondContact O-CG 3.36Å; E62-R66 PolarHBondContact O-N 3.29Å; E62-R66 IonicContact OE2-CZ 3.38Å; E62-R66 IonicContact OE2-NH2 3.54Å; E62-R66 PolarHBondContact OE2-NH2 3.11Å; R63-R66 PolarHBondContact O-N 2.81Å; R66-N70 WeakPolarHBondContact O-CB 3.41Å; R66-N70 VanDerWaalsContact O-CG 3.22Å; R66-N70 PolarHBondContact O-N 3.06Å; R66-N70 PolarHBondContact O-ND2 3.22Å
67	I	84.3	Confident	80.8	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-46.9	173.9	-68.3	160.3	0	0	0	110.2	R63 L64 T65 N70 K71 L111 Q114 E115 Y118	R63-I67 WeakPolarHBondContact O-CG1 3.5Å; R63-I67 PolarHBondContact O-N 3.19Å; L64-I67 PolarHBondContact O-N 3.34Å; T65-I67 PolarHBondContact O-N 2.86Å; I67-N70 PolarHBondContact O-N 2.94Å; I67-K71 WeakPolarHBondContact O-CB 3.37Å; I67-K71 PolarHBondContact O-N 3.05Å; I67-L111 HydrophobicContact CG2-CD2 4.4Å; I67-L111 WeakPolarHBondContact CG2-O 3.38Å; I67-Q114 HydrophobicContact CD1-CB 4.11Å; I67-Q114 HydrophobicContact CG1-CB 4.47Å; I67-Q114 HydrophobicContact CG2-CB 4.26Å; I67-E115 HydrophobicContact CG2-CB 3.96Å; I67-Y118 HydrophobicContact CD1-CD2 4.03Å; I67-Y118 HydrophobicContact CD1-CE2 4.14Å; I67-Y118 HydrophobicContact CD1-CG 4.25Å
68	R	85.3	Confident	82	Confident	93 Å²	93	61.1 Å²	61.1	35%	0.351	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-44.3	177.2	-74.4	178.3	164	-172.2	-10.1	113	L64 T65 K71 R72 E115	L64-R68 WeakPolarHBondContact O-CG 3.24Å; L64-R68 PolarHBondContact O-N 3.21Å; T65-R68 PolarHBondContact O-N 3.09Å; R68-K71 PolarHBondContact O-N 3.18Å; R68-R72 WeakPolarHBondContact O-CB 3.49Å; R68-R72 PolarHBondContact O-N 2.88Å; R68-E115 IonicContact CZ-OE1 3.47Å; R68-E115 IonicContact NE-OE1 3.14Å; R68-E115 PolarHBondContact NE-OE1 3.3Å; R68-E115 IonicContact NH2-OE1 2.76Å; R68-E115 PolarHBondContact NH2-OE1 3.49Å
69	D	85.2	Confident	82.8	Confident	61 Å²	61	58.1 Å²	58.1	33%	0.326	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-43.4	175.2	-81.8	-17.4	0	0	0	111.5	T65 R72 N73	T65-D69 PolarHBondContact O-N 3.09Å; D69-R72 WeakPolarHBondContact O-CB 3.42Å; D69-R72 PolarHBondContact O-N 3.45Å; D69-N73 PolarHBondContact O-N 3.1Å; D69-N73 PolarHBondContact O-ND2 2.92Å; D69-N73 VanDerWaalsContact O-ND2 3.09Å
70	N	87.3	Confident	83.3	Confident	56 Å²	56	58.8 Å²	58.8	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-43.9	175.6	-74.9	-17.2	0	0	0	112	R66 I67 R72 N73 V74 L111	R66-N70 WeakPolarHBondContact O-CB 3.41Å; R66-N70 VanDerWaalsContact O-CG 3.22Å; R66-N70 PolarHBondContact O-N 3.06Å; R66-N70 PolarHBondContact O-ND2 3.22Å; I67-N70 PolarHBondContact O-N 2.94Å; N70-R72 VanDerWaalsContact C-N 3.28Å; N70-R72 PolarHBondContact O-N 2.9Å; N70-N73 WeakPolarHBondContact O-CB 3.35Å; N70-N73 PolarHBondContact O-N 3.09Å; N70-N73 VanDerWaalsContact O-N 3.13Å; N70-V74 WeakPolarHBondContact O-CG2 3.38Å; N70-V74 PolarHBondContact O-N 2.89Å; N70-L111 HydrophobicContact CB-CD1 3.82Å; N70-L111 HydrophobicContact CB-CD2 3.83Å
71	K	89.4	Confident	83.5	Confident	33 Å²	33	60.5 Å²	60.5	14%	0.143	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-38.9	176.3	-173.1	172.5	172.8	-179.7	0	111.5	I67 R68 L75 Y108 L111 E115	I67-K71 WeakPolarHBondContact O-CB 3.37Å; I67-K71 PolarHBondContact O-N 3.05Å; R68-K71 PolarHBondContact O-N 3.18Å; K71-L75 WeakPolarHBondContact O-CG 3.47Å; K71-L75 PolarHBondContact O-N 3.22Å; K71-L75 VanDerWaalsContact O-N 3.1Å; K71-Y108 HydrophobicContact CD-CE2 4.3Å; K71-Y108 HydrophobicContact CG-CD2 3.95Å; K71-Y108 HydrophobicContact CG-CE2 3.59Å; K71-L111 HydrophobicContact CB-CB 4.31Å; K71-E115 WeakPolarHBondContact CD-OE2 3.43Å; K71-E115 IonicContact NZ-OE2 3.05Å; K71-E115 PolarHBondContact NZ-OE2 3.32Å
72	R	87.5	Confident	83.5	Confident	164 Å²	164	65.3 Å²	65.3	62%	0.619	31%	0.309	S	S	*	.	H	α-helix	trans	-65.3	-44.3	172	-164.4	-175.8	-140.6	143.7	6.9	112.6	R68 D69 N70 V74 L75 E76	R68-R72 WeakPolarHBondContact O-CB 3.49Å; R68-R72 PolarHBondContact O-N 2.88Å; D69-R72 WeakPolarHBondContact O-CB 3.42Å; D69-R72 PolarHBondContact O-N 3.45Å; N70-R72 VanDerWaalsContact C-N 3.28Å; N70-R72 PolarHBondContact O-N 2.9Å; R72-V74 VanDerWaalsContact C-N 3.3Å; R72-V74 PolarHBondContact O-N 3Å; R72-L75 PolarHBondContact O-N 2.97Å; R72-E76 PolarHBondContact O-N 2.86Å
73	N	87.6	Confident	83.1	Confident	89 Å²	89	67.4 Å²	67.4	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-37.5	177.2	-68.9	-35.1	0	0	0	112.1	D69 N70 E76 A77	D69-N73 PolarHBondContact O-N 3.1Å; D69-N73 PolarHBondContact O-ND2 2.92Å; D69-N73 VanDerWaalsContact O-ND2 3.09Å; N70-N73 WeakPolarHBondContact O-CB 3.35Å; N70-N73 PolarHBondContact O-N 3.09Å; N70-N73 VanDerWaalsContact O-N 3.13Å; N73-E76 PolarHBondContact O-N 3.35Å; N73-A77 WeakPolarHBondContact O-CB 3.48Å; N73-A77 PolarHBondContact O-N 3.37Å
74	V	89.2	Confident	82.5	Confident	10 Å²	10	71.4 Å²	71.4	6%	0.061	34%	0.341	C	S	.	.	H	α-helix	trans	-69.7	-42.4	175.9	174.3	0	0	0	0	111.6	N70 R72 E76 A77 M78 L104 L107 L111	N70-V74 WeakPolarHBondContact O-CG2 3.38Å; N70-V74 PolarHBondContact O-N 2.89Å; R72-V74 VanDerWaalsContact C-N 3.3Å; R72-V74 PolarHBondContact O-N 3Å; V74-E76 VanDerWaalsContact C-N 3.33Å; V74-E76 PolarHBondContact O-N 3.4Å; V74-A77 PolarHBondContact O-N 3.4Å; V74-A77 VanDerWaalsContact O-N 3.15Å; V74-M78 HydrophobicContact CG1-CE 4.32Å; V74-M78 WeakPolarHBondContact O-CG 3.47Å; V74-M78 PolarHBondContact O-N 3.18Å; V74-L104 HydrophobicContact CG1-CB 4.4Å; V74-L104 HydrophobicContact CG1-CD2 4.18Å; V74-L104 WeakPolarHBondContact CG1-O 3.26Å; V74-L107 HydrophobicContact CG2-CD2 3.71Å; V74-L107 HydrophobicContact CG2-CG 3.96Å; V74-L111 HydrophobicContact CG2-CD1 3.9Å
75	L	87.3	Confident	81.3	Confident	86 Å²	86	74.6 Å²	74.6	45%	0.45	36%	0.355	S	S	.	.	H	α-helix	trans	-58.5	-43.9	171.2	-74.5	167.2	0	0	0	111.7	K71 R72 A77 M78 G79 Y108	K71-L75 WeakPolarHBondContact O-CG 3.47Å; K71-L75 PolarHBondContact O-N 3.22Å; K71-L75 VanDerWaalsContact O-N 3.1Å; R72-L75 PolarHBondContact O-N 2.97Å; L75-A77 PolarHBondContact O-N 3.34Å; L75-M78 HydrophobicContact CD2-CE 3.92Å; L75-M78 PolarHBondContact O-N 3.08Å; L75-G79 PolarHBondContact O-N 3.3Å; L75-Y108 HydrophobicContact CD1-CE2 3.91Å; L75-Y108 HydrophobicContact CD2-CD2 4.15Å; L75-Y108 HydrophobicContact CD2-CE2 3.74Å; L75-Y108 HydrophobicContact CG-CD2 4.04Å; L75-Y108 HydrophobicContact CG-CE2 3.7Å
76	E	87.5	Confident	80.2	Confident	94 Å²	94	77.4 Å²	77.4	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-38.8	173.3	-83.9	-163.8	-149.7	0	0	112.9	R72 N73 V74 G79 K80	R72-E76 PolarHBondContact O-N 2.86Å; N73-E76 PolarHBondContact O-N 3.35Å; V74-E76 VanDerWaalsContact C-N 3.33Å; V74-E76 PolarHBondContact O-N 3.4Å; E76-G79 PolarHBondContact O-N 3.17Å; E76-K80 WeakPolarHBondContact O-CB 3.37Å; E76-K80 WeakPolarHBondContact O-CD 3.33Å; E76-K80 WeakPolarHBondContact O-CG 3.41Å; E76-K80 PolarHBondContact O-N 2.9Å; E76-K80 WeakPolarHBondContact OE2-CE 3.39Å; E76-K80 IonicContact OE2-NZ 2.67Å; E76-K80 PolarHBondContact OE2-NZ 3.33Å
77	A	85.4	Confident	78.9	Confident	30 Å²	30	73.9 Å²	73.9	25%	0.248	37%	0.37	C	S	.	.	H	α-helix	trans	-66	-42.8	177.5	0	0	0	0	0	111.7	N73 V74 L75 K80 L81 L104	N73-A77 WeakPolarHBondContact O-CB 3.48Å; N73-A77 PolarHBondContact O-N 3.37Å; V74-A77 PolarHBondContact O-N 3.4Å; V74-A77 VanDerWaalsContact O-N 3.15Å; L75-A77 PolarHBondContact O-N 3.34Å; A77-K80 PolarHBondContact O-N 3.19Å; A77-L81 WeakPolarHBondContact O-CD1 3.35Å; A77-L81 PolarHBondContact O-N 3.46Å; A77-L104 HydrophobicContact CB-CD1 4.06Å; A77-L104 HydrophobicContact CB-CD2 3.83Å
78	M	83.1	Confident	77.2	Confident	39 Å²	39	78 Å²	78	19%	0.192	39%	0.392	C	S	.	.	H	α-helix	trans	-63.1	-41.6	172.9	-67.9	-168	-65.6	0	0	111.7	V74 L75 K80 L81 K82 L101 L104 V105 Y108	V74-M78 HydrophobicContact CG1-CE 4.32Å; V74-M78 WeakPolarHBondContact O-CG 3.47Å; V74-M78 PolarHBondContact O-N 3.18Å; L75-M78 HydrophobicContact CD2-CE 3.92Å; L75-M78 PolarHBondContact O-N 3.08Å; M78-K80 PolarHBondContact O-N 3.45Å; M78-L81 PolarHBondContact O-N 3.13Å; M78-K82 PolarHBondContact O-N 3.46Å; M78-L101 HydrophobicContact CG-CD1 4.39Å; M78-L104 HydrophobicContact CG-CB 3.74Å; M78-L104 HydrophobicContact CG-CD1 4.08Å; M78-L104 HydrophobicContact CG-CG 4.46Å; M78-L104 HydrophobicContact SD-CB 4.22Å; M78-V105 HydrophobicContact SD-CG2 3.95Å; M78-Y108 HydrophobicContact CE-CD2 4.4Å; M78-Y108 HydrophobicContact CE-CG 4.38Å
79	G	82.4	Confident	75.4	Confident	29 Å²	29	82.8 Å²	82.8	30%	0.299	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-40.5	172.8	0	0	0	0	0	113.1	L75 E76 K82 N83	L75-G79 PolarHBondContact O-N 3.3Å; E76-G79 PolarHBondContact O-N 3.17Å; G79-K82 PolarHBondContact O-N 3.39Å; G79-N83 WeakPolarHBondContact O-CB 3.38Å; G79-N83 VanDerWaalsContact O-CG 3.23Å; G79-N83 PolarHBondContact O-N 3.17Å; G79-N83 PolarHBondContact O-OD1 2.87Å
80	K	81.9	Confident	73.6	Confident	120 Å²	120	90.5 Å²	90.5	52%	0.522	44%	0.436	S	S	.	.	H	α-helix	trans	-67.8	-31.6	175.4	-72	159	-167.5	164.2	0	112.4	E76 A77 M78 K84	E76-K80 WeakPolarHBondContact O-CB 3.37Å; E76-K80 WeakPolarHBondContact O-CD 3.33Å; E76-K80 WeakPolarHBondContact O-CG 3.41Å; E76-K80 PolarHBondContact O-N 2.9Å; E76-K80 WeakPolarHBondContact OE2-CE 3.39Å; E76-K80 IonicContact OE2-NZ 2.67Å; E76-K80 PolarHBondContact OE2-NZ 3.33Å; A77-K80 PolarHBondContact O-N 3.19Å; M78-K80 PolarHBondContact O-N 3.45Å; K80-K84 WeakPolarHBondContact O-CG 3.47Å; K80-K84 PolarHBondContact O-N 2.92Å
81	L	76.1	Confident	71.5	Confident	39 Å²	39	91.5 Å²	91.5	20%	0.204	44%	0.444	C	S	.	.	H	α-helix	trans	-67.2	-50	167.2	-98.2	76.6	0	0	0	111.1	A77 M78 N83 K84 F85 L101 L104	A77-L81 WeakPolarHBondContact O-CD1 3.35Å; A77-L81 PolarHBondContact O-N 3.46Å; M78-L81 PolarHBondContact O-N 3.13Å; L81-N83 VanDerWaalsContact C-N 3.32Å; L81-N83 PolarHBondContact O-N 2.92Å; L81-K84 WeakPolarHBondContact O-CB 3.48Å; L81-K84 PolarHBondContact O-N 2.92Å; L81-K84 VanDerWaalsContact O-N 3.08Å; L81-F85 HydrophobicContact CB-CE2 4.04Å; L81-F85 HydrophobicContact CB-CZ 4.36Å; L81-F85 HydrophobicContact CD2-CZ 4.35Å; L81-F85 HydrophobicContact CG-CZ 4.44Å; L81-F85 VanDerWaalsContact O-CD2 3.26Å; L81-F85 WeakPolarHBondContact O-CD2 3.43Å; L81-F85 WeakPolarHBondContact O-CE2 3.39Å; L81-F85 PolarHBondContact O-N 3.25Å; L81-L101 HydrophobicContact CD2-CB 4.24Å; L81-L101 HydrophobicContact CD2-CD1 4.39Å; L81-L104 HydrophobicContact CD1-CD1 4.1Å; L81-L104 HydrophobicContact CD2-CD1 4.39Å
82	K	73.4	Confident	69.3	Low	117 Å²	117	98.9 Å²	98.9	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-55.4	-45.8	-179.8	-170.2	178.6	-174.4	-90.8	0	112.2	M78 G79 K84 F85 E86	M78-K82 PolarHBondContact O-N 3.46Å; G79-K82 PolarHBondContact O-N 3.39Å; K82-K84 VanDerWaalsContact C-N 3.27Å; K82-K84 PolarHBondContact O-N 3.25Å; K82-F85 PolarHBondContact O-N 3.2Å; K82-F85 VanDerWaalsContact O-N 3.08Å; K82-E86 WeakPolarHBondContact CE-OE1 3.43Å; K82-E86 IonicContact NZ-OE1 2.73Å; K82-E86 PolarHBondContact NZ-OE1 3.34Å; K82-E86 PolarHBondContact O-N 3.26Å
83	N	69.3	Low	67.2	Low	106 Å²	106	96.1 Å²	96.1	57%	0.567	49%	0.49	S	S	*	.	H	α-helix	trans	-67.2	-25.8	-179.1	-66.8	5.5	0	0	0	112.9	G79 L81 G87	G79-N83 WeakPolarHBondContact O-CB 3.38Å; G79-N83 VanDerWaalsContact O-CG 3.23Å; G79-N83 PolarHBondContact O-N 3.17Å; G79-N83 PolarHBondContact O-OD1 2.87Å; L81-N83 VanDerWaalsContact C-N 3.32Å; L81-N83 PolarHBondContact O-N 2.92Å; N83-G87 PolarHBondContact O-N 2.85Å; N83-G87 VanDerWaalsContact O-N 3.08Å
84	K	65.3	Low	65	Low	136 Å²	136	94.7 Å²	94.7	59%	0.591	50%	0.496	S	S	*	.	H	α-helix	trans	-68.5	-43	169.6	-72.1	177.7	177.5	-171.3	0	111.2	K80 L81 K82 E86 G87 D88	K80-K84 WeakPolarHBondContact O-CG 3.47Å; K80-K84 PolarHBondContact O-N 2.92Å; L81-K84 WeakPolarHBondContact O-CB 3.48Å; L81-K84 PolarHBondContact O-N 2.92Å; L81-K84 VanDerWaalsContact O-N 3.08Å; K82-K84 VanDerWaalsContact C-N 3.27Å; K82-K84 PolarHBondContact O-N 3.25Å; K84-E86 VanDerWaalsContact C-N 3.27Å; K84-E86 PolarHBondContact O-N 2.67Å; K84-G87 PolarHBondContact O-N 2.71Å; K84-D88 PolarHBondContact O-N 2.74Å
85	F	57.3	Low	63.1	Low	84 Å²	84	103.2 Å²	103.2	37%	0.368	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-28.3	176.4	-51.8	-44.6	0	0	0	113.3	L81 K82 I96	L81-F85 HydrophobicContact CB-CE2 4.04Å; L81-F85 HydrophobicContact CB-CZ 4.36Å; L81-F85 HydrophobicContact CD2-CZ 4.35Å; L81-F85 HydrophobicContact CG-CZ 4.44Å; L81-F85 VanDerWaalsContact O-CD2 3.26Å; L81-F85 WeakPolarHBondContact O-CD2 3.43Å; L81-F85 WeakPolarHBondContact O-CE2 3.39Å; L81-F85 PolarHBondContact O-N 3.25Å; K82-F85 PolarHBondContact O-N 3.2Å; K82-F85 VanDerWaalsContact O-N 3.08Å; F85-I96 HydrophobicContact CD1-CD1 4.23Å; F85-I96 HydrophobicContact CD1-CG1 4.06Å; F85-I96 HydrophobicContact CE1-CB 4.23Å; F85-I96 HydrophobicContact CE1-CD1 4.19Å; F85-I96 HydrophobicContact CE1-CG1 3.69Å; F85-I96 HydrophobicContact CE1-CG2 4.08Å; F85-I96 HydrophobicContact CE2-CG2 4.41Å; F85-I96 HydrophobicContact CZ-CB 4.39Å; F85-I96 HydrophobicContact CZ-CG1 4.21Å; F85-I96 HydrophobicContact CZ-CG2 3.74Å
86	E	57.1	Low	61.3	Low	98 Å²	98	103 Å²	103	46%	0.458	53%	0.534	S	S	.	.	H	α-helix	trans	-79.5	-27.7	173.6	-73.4	176	-162.9	0	0	113.3	K82 K84	K82-E86 WeakPolarHBondContact CE-OE1 3.43Å; K82-E86 IonicContact NZ-OE1 2.73Å; K82-E86 PolarHBondContact NZ-OE1 3.34Å; K82-E86 PolarHBondContact O-N 3.26Å; K84-E86 VanDerWaalsContact C-N 3.27Å; K84-E86 PolarHBondContact O-N 2.67Å
87	G	55.7	Low	60.2	Low	58 Å²	58	102.1 Å²	102.1	60%	0.598	53%	0.532	S	S	*	.	H	α-helix	trans	-82.1	-45.8	177	0	0	0	0	0	114.9	N83 K84 R89	N83-G87 PolarHBondContact O-N 2.85Å; N83-G87 VanDerWaalsContact O-N 3.08Å; K84-G87 PolarHBondContact O-N 2.71Å; G87-R89 PolarHBondContact O-N 3.42Å
88	D	48.9	Very low	59.3	Low	95 Å²	95	107.8 Å²	107.8	51%	0.508	55%	0.551	S	S	.	*			trans	-82.9	29.9	-170.6	-77.3	-51	0	0	0	114.5	K84 Y90 T91	K84-D88 PolarHBondContact O-N 2.74Å; D88-Y90 PolarHBondContact O-N 2.93Å; D88-T91 PolarHBondContact O-N 3.02Å; D88-T91 PolarHBondContact O-OG1 3.48Å
89	R	46.2	Very low	58.7	Low	194 Å²	194	108.3 Å²	108.3	73%	0.732	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-0.2	-178.6	-69.6	-167	-175.3	-153	3.1	115.8	G87	G87-R89 PolarHBondContact O-N 3.42Å
90	Y	47	Very low	58.4	Low	223 Å²	223	111.9 Å²	111.9	88%	0.875	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	5.3	-174.6	-72.8	-74.4	0	0	0	115.2	D88	D88-Y90 PolarHBondContact O-N 2.93Å
91	T	43.1	Very low	58.2	Low	77 Å²	77	109.2 Å²	109.2	47%	0.472	56%	0.557	S	S	.	*			trans	-117.7	126	-178.3	48.7	0	0	0	0	111.6	D88 S93	D88-T91 PolarHBondContact O-N 3.02Å; D88-T91 PolarHBondContact O-OG1 3.48Å; T91-S93 PolarHBondContact O-N 3.38Å
92	L	44.1	Very low	58.2	Low	189 Å²	189	113.9 Å²	113.9	99%	0.99	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	17.6	-178.1	-80.2	87.2	0	0	0	114.5
93	S	43.3	Very low	58.7	Low	106 Å²	106	116 Å²	116	74%	0.741	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	5.5	179.9	-168.1	0	0	0	0	113.4	T91 Q95	T91-S93 PolarHBondContact O-N 3.38Å; S93-Q95 PolarHBondContact O-N 2.88Å
94	G	41	Very low	59.5	Low	58 Å²	58	112.4 Å²	112.4	60%	0.598	56%	0.563	S	S	*	*			trans	-71.1	43	-171.6	0	0	0	0	0	116.8	I96	G94-I96 PolarHBondContact O-N 3.37Å
95	Q	49	Very low	60.4	Low	190 Å²	190	108.9 Å²	108.9	89%	0.888	55%	0.553	S	S	*	*			trans	-67.9	100.8	167.8	-85.3	-168	-19.7	0	0	110.1	S93 D97	S93-Q95 PolarHBondContact O-N 2.88Å; Q95-D97 PolarHBondContact O-N 3.45Å
96	I	50.7	Low	61.8	Low	82 Å²	82	107.8 Å²	107.8	42%	0.421	56%	0.556	S	S	.	*			trans	-63.7	114.8	173.2	-57.3	-173.3	0	0	0	108.9	F85 G94 K98	F85-I96 HydrophobicContact CD1-CD1 4.23Å; F85-I96 HydrophobicContact CD1-CG1 4.06Å; F85-I96 HydrophobicContact CE1-CB 4.23Å; F85-I96 HydrophobicContact CE1-CD1 4.19Å; F85-I96 HydrophobicContact CE1-CG1 3.69Å; F85-I96 HydrophobicContact CE1-CG2 4.08Å; F85-I96 HydrophobicContact CE2-CG2 4.41Å; F85-I96 HydrophobicContact CZ-CB 4.39Å; F85-I96 HydrophobicContact CZ-CG1 4.21Å; F85-I96 HydrophobicContact CZ-CG2 3.74Å; G94-I96 PolarHBondContact O-N 3.37Å; I96-K98 HydrophobicContact CG2-CG 4.05Å; I96-K98 PolarHBondContact O-N 3.44Å
97	D	63.6	Low	63.4	Low	74 Å²	74	106.6 Å²	106.6	40%	0.396	55%	0.552	S	S	.	*			trans	-65.2	76.7	164.1	-104.9	-43.5	0	0	0	109.4	Q95 S99 K100 L101	Q95-D97 PolarHBondContact O-N 3.45Å; D97-S99 PolarHBondContact O-N 3.5Å; D97-S99 PolarHBondContact OD1-OG 3.06Å; D97-K100 HydrophobicContact CB-CB 3.93Å; D97-K100 HydrophobicContact CB-CD 3.81Å; D97-K100 HydrophobicContact CB-CG 3.85Å; D97-K100 PolarHBondContact O-N 2.76Å; D97-K100 VanDerWaalsContact OD2-CD 3.32Å; D97-K100 WeakPolarHBondContact OD2-CD 3.48Å; D97-K100 WeakPolarHBondContact OD2-CE 3.33Å; D97-K100 IonicContact OD2-NZ 2.63Å; D97-K100 PolarHBondContact OD2-NZ 2.81Å; D97-L101 PolarHBondContact O-N 3.38Å; D97-L101 VanDerWaalsContact O-N 3.09Å
98	K	66.1	Low	65.1	Low	150 Å²	150	106.6 Å²	106.6	65%	0.652	54%	0.535	S	S	*	.	H	α-helix	trans	-55.4	-34.6	173.4	-67.5	-178.3	179.8	179.1	0	110.5	I96 L101 Q102	I96-K98 HydrophobicContact CG2-CG 4.05Å; I96-K98 PolarHBondContact O-N 3.44Å; K98-L101 PolarHBondContact O-N 2.91Å; K98-Q102 WeakPolarHBondContact O-CB 3.44Å; K98-Q102 PolarHBondContact O-N 3.27Å
99	S	72.2	Confident	66.9	Low	49 Å²	49	106.2 Å²	106.2	34%	0.343	53%	0.532	S	S	.	.	H	α-helix	trans	-45.7	-55.6	165	52.8	0	0	0	0	113.6	D97 R103	D97-S99 PolarHBondContact O-N 3.5Å; D97-S99 PolarHBondContact OD1-OG 3.06Å; S99-R103 WeakPolarHBondContact O-CB 3.43Å; S99-R103 VanDerWaalsContact O-CG 3.25Å; S99-R103 WeakPolarHBondContact O-CG 3.42Å; S99-R103 PolarHBondContact O-N 2.96Å
100	K	76	Confident	68.8	Low	105 Å²	105	101.3 Å²	101.3	46%	0.457	52%	0.521	S	S	.	.	H	α-helix	trans	-72.1	-38.2	-178.1	-66.1	177	-178.9	149	0	111.5	D97 R103 L104	D97-K100 HydrophobicContact CB-CB 3.93Å; D97-K100 HydrophobicContact CB-CD 3.81Å; D97-K100 HydrophobicContact CB-CG 3.85Å; D97-K100 PolarHBondContact O-N 2.76Å; D97-K100 VanDerWaalsContact OD2-CD 3.32Å; D97-K100 WeakPolarHBondContact OD2-CD 3.48Å; D97-K100 WeakPolarHBondContact OD2-CE 3.33Å; D97-K100 IonicContact OD2-NZ 2.63Å; D97-K100 PolarHBondContact OD2-NZ 2.81Å; K100-R103 PolarHBondContact O-N 2.9Å; K100-L104 WeakPolarHBondContact O-CG 3.38Å; K100-L104 PolarHBondContact O-N 3.13Å
101	L	76	Confident	70.8	Confident	64 Å²	64	91.2 Å²	91.2	34%	0.335	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-44.9	175.2	-174.7	61.4	0	0	0	111.5	M78 L81 D97 K98 L104 V105	M78-L101 HydrophobicContact CG-CD1 4.39Å; L81-L101 HydrophobicContact CD2-CB 4.24Å; L81-L101 HydrophobicContact CD2-CD1 4.39Å; D97-L101 PolarHBondContact O-N 3.38Å; D97-L101 VanDerWaalsContact O-N 3.09Å; K98-L101 PolarHBondContact O-N 2.91Å; L101-L104 PolarHBondContact O-N 2.87Å; L101-V105 WeakPolarHBondContact O-CG2 3.34Å; L101-V105 PolarHBondContact O-N 3.31Å
102	Q	77.5	Confident	73	Confident	137 Å²	137	92 Å²	92	64%	0.64	48%	0.479	S	S	*	.	H	α-helix	trans	-63.1	-42.5	177	-172	174	5.3	0	0	111.7	K98 L104 V105 S106	K98-Q102 WeakPolarHBondContact O-CB 3.44Å; K98-Q102 PolarHBondContact O-N 3.27Å; Q102-L104 VanDerWaalsContact C-N 3.33Å; Q102-L104 PolarHBondContact O-N 2.98Å; Q102-V105 PolarHBondContact O-N 2.93Å; Q102-S106 PolarHBondContact O-N 3.49Å; Q102-S106 PolarHBondContact O-OG 3.46Å
103	R	84	Confident	75	Confident	161 Å²	161	87.3 Å²	87.3	61%	0.608	45%	0.45	S	S	*	.	H	α-helix	trans	-58.2	-41.6	172	-74.5	172.7	-173.1	-173.1	3.2	112.5	S99 K100 L107	S99-R103 WeakPolarHBondContact O-CB 3.43Å; S99-R103 VanDerWaalsContact O-CG 3.25Å; S99-R103 WeakPolarHBondContact O-CG 3.42Å; S99-R103 PolarHBondContact O-N 2.96Å; K100-R103 PolarHBondContact O-N 2.9Å; R103-L107 VanDerWaalsContact O-CB 3.28Å; R103-L107 WeakPolarHBondContact O-CB 3.29Å; R103-L107 PolarHBondContact O-N 3.12Å
104	L	84.9	Confident	76.8	Confident	30 Å²	30	86.5 Å²	86.5	16%	0.157	44%	0.435	C	S	.	.	H	α-helix	trans	-67.9	-37.5	177.7	-73.8	170	0	0	0	112.4	V74 A77 M78 L81 K100 L101 Q102 Y108	V74-L104 HydrophobicContact CG1-CB 4.4Å; V74-L104 HydrophobicContact CG1-CD2 4.18Å; V74-L104 WeakPolarHBondContact CG1-O 3.26Å; A77-L104 HydrophobicContact CB-CD1 4.06Å; A77-L104 HydrophobicContact CB-CD2 3.83Å; M78-L104 HydrophobicContact CG-CB 3.74Å; M78-L104 HydrophobicContact CG-CD1 4.08Å; M78-L104 HydrophobicContact CG-CG 4.46Å; M78-L104 HydrophobicContact SD-CB 4.22Å; L81-L104 HydrophobicContact CD1-CD1 4.1Å; L81-L104 HydrophobicContact CD2-CD1 4.39Å; K100-L104 WeakPolarHBondContact O-CG 3.38Å; K100-L104 PolarHBondContact O-N 3.13Å; L101-L104 PolarHBondContact O-N 2.87Å; Q102-L104 VanDerWaalsContact C-N 3.33Å; Q102-L104 PolarHBondContact O-N 2.98Å; L104-Y108 WeakPolarHBondContact O-CB 3.28Å; L104-Y108 PolarHBondContact O-N 3.42Å
105	V	85	Confident	79	Confident	62 Å²	62	84.5 Å²	84.5	38%	0.376	41%	0.41	S	S	.	.	H	α-helix	trans	-65.4	-50	173.9	173.5	0	0	0	0	110.7	M78 L101 Q102 L107 Y108 D109	M78-V105 HydrophobicContact SD-CG2 3.95Å; L101-V105 WeakPolarHBondContact O-CG2 3.34Å; L101-V105 PolarHBondContact O-N 3.31Å; Q102-V105 PolarHBondContact O-N 2.93Å; V105-L107 VanDerWaalsContact C-N 3.31Å; V105-L107 PolarHBondContact O-N 2.92Å; V105-Y108 WeakPolarHBondContact O-CB 3.27Å; V105-Y108 PolarHBondContact O-N 3.32Å; V105-D109 PolarHBondContact O-N 2.97Å
106	S	87.2	Confident	80.4	Confident	61 Å²	61	79.4 Å²	79.4	43%	0.427	39%	0.389	S	S	.	.	H	α-helix	trans	-57.3	-43.3	176.4	-58.9	0	0	0	0	112.4	Q102 Y108 D109 D110	Q102-S106 PolarHBondContact O-N 3.49Å; Q102-S106 PolarHBondContact O-OG 3.46Å; S106-Y108 VanDerWaalsContact C-N 3.31Å; S106-Y108 PolarHBondContact O-N 3.2Å; S106-D109 PolarHBondContact O-N 3.28Å; S106-D110 PolarHBondContact O-N 3.43Å
107	L	89	Confident	81.7	Confident	73 Å²	73	76.3 Å²	76.3	38%	0.382	37%	0.373	S	S	.	.	H	α-helix	trans	-66	-32	176.8	-175.8	62	0	0	0	112.7	V74 R103 V105 L111	V74-L107 HydrophobicContact CG2-CD2 3.71Å; V74-L107 HydrophobicContact CG2-CG 3.96Å; R103-L107 VanDerWaalsContact O-CB 3.28Å; R103-L107 WeakPolarHBondContact O-CB 3.29Å; R103-L107 PolarHBondContact O-N 3.12Å; V105-L107 VanDerWaalsContact C-N 3.31Å; V105-L107 PolarHBondContact O-N 2.92Å; L107-L111 HydrophobicContact CD1-CD1 4.3Å; L107-L111 HydrophobicContact CD1-CG 4.47Å; L107-L111 HydrophobicContact CG-CD1 4.09Å; L107-L111 WeakPolarHBondContact O-CB 3.47Å; L107-L111 WeakPolarHBondContact O-CD1 3.32Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 3.13Å
108	Y	91.9	Very high	82.3	Confident	59 Å²	59	73.1 Å²	73.1	23%	0.231	36%	0.355	C	S	.	.	H	α-helix	trans	-67.1	-43.8	172.7	178.6	-94.9	0	0	0	111.6	K71 L75 M78 L104 V105 S106 L111 K112	K71-Y108 HydrophobicContact CD-CE2 4.3Å; K71-Y108 HydrophobicContact CG-CD2 3.95Å; K71-Y108 HydrophobicContact CG-CE2 3.59Å; L75-Y108 HydrophobicContact CD1-CE2 3.91Å; L75-Y108 HydrophobicContact CD2-CD2 4.15Å; L75-Y108 HydrophobicContact CD2-CE2 3.74Å; L75-Y108 HydrophobicContact CG-CD2 4.04Å; L75-Y108 HydrophobicContact CG-CE2 3.7Å; M78-Y108 HydrophobicContact CE-CD2 4.4Å; M78-Y108 HydrophobicContact CE-CG 4.38Å; L104-Y108 WeakPolarHBondContact O-CB 3.28Å; L104-Y108 PolarHBondContact O-N 3.42Å; V105-Y108 WeakPolarHBondContact O-CB 3.27Å; V105-Y108 PolarHBondContact O-N 3.32Å; S106-Y108 VanDerWaalsContact C-N 3.31Å; S106-Y108 PolarHBondContact O-N 3.2Å; Y108-L111 PolarHBondContact O-N 3.24Å; Y108-K112 WeakPolarHBondContact O-CB 3.46Å; Y108-K112 PolarHBondContact O-N 2.75Å
109	D	87.1	Confident	82.7	Confident	86 Å²	86	68.1 Å²	68.1	46%	0.46	34%	0.335	S	S	.	.	H	α-helix	trans	-68.2	-39.1	179.1	-68.2	-34.9	0	0	0	111.9	V105 S106 K112 K113	V105-D109 PolarHBondContact O-N 2.97Å; S106-D109 PolarHBondContact O-N 3.28Å; D109-K112 PolarHBondContact O-N 3.28Å; D109-K113 WeakPolarHBondContact O-CB 3.45Å; D109-K113 PolarHBondContact O-N 3.1Å
110	D	87	Confident	82.6	Confident	92 Å²	92	68.9 Å²	68.9	49%	0.492	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-46.6	171.5	-79.2	-33.4	0	0	0	111.9	S106 K112 K113 Q114	S106-D110 PolarHBondContact O-N 3.43Å; D110-K112 VanDerWaalsContact C-N 3.34Å; D110-K113 PolarHBondContact O-N 3.36Å; D110-Q114 WeakPolarHBondContact O-CG 3.43Å; D110-Q114 PolarHBondContact O-N 3.21Å
111	L	88.7	Confident	82.2	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-68	-33.5	177.7	-74.4	166.4	0	0	0	112.3	I67 N70 K71 V74 L107 Y108 E115	I67-L111 HydrophobicContact CG2-CD2 4.4Å; I67-L111 WeakPolarHBondContact CG2-O 3.38Å; N70-L111 HydrophobicContact CB-CD1 3.82Å; N70-L111 HydrophobicContact CB-CD2 3.83Å; K71-L111 HydrophobicContact CB-CB 4.31Å; V74-L111 HydrophobicContact CG2-CD1 3.9Å; L107-L111 HydrophobicContact CD1-CD1 4.3Å; L107-L111 HydrophobicContact CD1-CG 4.47Å; L107-L111 HydrophobicContact CG-CD1 4.09Å; L107-L111 WeakPolarHBondContact O-CB 3.47Å; L107-L111 WeakPolarHBondContact O-CD1 3.32Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 3.13Å; Y108-L111 PolarHBondContact O-N 3.24Å; L111-E115 PolarHBondContact O-N 3.5Å
112	K	87.9	Confident	81.6	Confident	94 Å²	94	63.8 Å²	63.8	41%	0.409	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-48.5	172	-179.2	-175.1	171.6	-170.1	0	110.5	Y108 D109 D110 Q114 E115 D116	Y108-K112 WeakPolarHBondContact O-CB 3.46Å; Y108-K112 PolarHBondContact O-N 2.75Å; D109-K112 PolarHBondContact O-N 3.28Å; D110-K112 VanDerWaalsContact C-N 3.34Å; K112-Q114 VanDerWaalsContact C-N 3.3Å; K112-Q114 PolarHBondContact O-N 2.91Å; K112-E115 WeakPolarHBondContact O-CB 3.42Å; K112-E115 PolarHBondContact O-N 3.14Å; K112-E115 VanDerWaalsContact O-N 3.08Å; K112-D116 VanDerWaalsContact O-CG 3.28Å; K112-D116 PolarHBondContact O-N 2.96Å
113	K	87.1	Confident	80.8	Confident	91 Å²	91	65.1 Å²	65.1	40%	0.396	32%	0.315	S	S	.	.	H	α-helix	trans	-57.3	-41.7	176	-178.5	-176.8	168.2	-171.4	0	111.8	D109 D110 D116 E117	D109-K113 WeakPolarHBondContact O-CB 3.45Å; D109-K113 PolarHBondContact O-N 3.1Å; D110-K113 PolarHBondContact O-N 3.36Å; K113-D116 PolarHBondContact O-N 3.16Å; K113-E117 WeakPolarHBondContact CE-OE1 3.45Å; K113-E117 IonicContact NZ-OE1 2.67Å; K113-E117 WeakPolarHBondContact O-CB 3.5Å; K113-E117 WeakPolarHBondContact O-CG 3.41Å; K113-E117 PolarHBondContact O-N 2.85Å
114	Q	82.2	Confident	79.4	Confident	88 Å²	88	60.5 Å²	60.5	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-39.8	174.6	-72.6	177.9	15.8	0	0	112.8	I67 D110 K112 Y118	I67-Q114 HydrophobicContact CD1-CB 4.11Å; I67-Q114 HydrophobicContact CG1-CB 4.47Å; I67-Q114 HydrophobicContact CG2-CB 4.26Å; D110-Q114 WeakPolarHBondContact O-CG 3.43Å; D110-Q114 PolarHBondContact O-N 3.21Å; K112-Q114 VanDerWaalsContact C-N 3.3Å; K112-Q114 PolarHBondContact O-N 2.91Å; Q114-Y118 VanDerWaalsContact O-CD2 3.27Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.21Å; Q114-Y118 PolarHBondContact O-N 3.44Å
115	E	85.2	Confident	77.8	Confident	17 Å²	17	60.8 Å²	60.8	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-45.4	174.3	-170.4	178.4	-178.6	0	0	111.2	L64 I67 R68 K71 L111 K112 E117 Y118 L119	L64-E115 HydrophobicContact CD1-CG 4.06Å; I67-E115 HydrophobicContact CG2-CB 3.96Å; R68-E115 IonicContact CZ-OE1 3.47Å; R68-E115 IonicContact NE-OE1 3.14Å; R68-E115 PolarHBondContact NE-OE1 3.3Å; R68-E115 IonicContact NH2-OE1 2.76Å; R68-E115 PolarHBondContact NH2-OE1 3.49Å; K71-E115 WeakPolarHBondContact CD-OE2 3.43Å; K71-E115 IonicContact NZ-OE2 3.05Å; K71-E115 PolarHBondContact NZ-OE2 3.32Å; L111-E115 PolarHBondContact O-N 3.5Å; K112-E115 WeakPolarHBondContact O-CB 3.42Å; K112-E115 PolarHBondContact O-N 3.14Å; K112-E115 VanDerWaalsContact O-N 3.08Å; E115-E117 PolarHBondContact O-N 2.9Å; E115-Y118 PolarHBondContact O-N 2.86Å; E115-L119 HydrophobicContact CG-CD1 3.87Å; E115-L119 HydrophobicContact CG-CG 4.28Å; E115-L119 WeakPolarHBondContact O-CB 3.4Å; E115-L119 VanDerWaalsContact O-CG 3.29Å; E115-L119 WeakPolarHBondContact O-CG 3.41Å; E115-L119 PolarHBondContact O-N 2.85Å
116	D	79.5	Confident	76	Confident	83 Å²	83	60.6 Å²	60.6	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-39.5	179	-63.6	-26.9	0	0	0	111.7	K112 K113 C120	K112-D116 VanDerWaalsContact O-CG 3.28Å; K112-D116 PolarHBondContact O-N 2.96Å; K113-D116 PolarHBondContact O-N 3.16Å; D116-C120 VanDerWaalsContact O-CB 3.31Å; D116-C120 WeakPolarHBondContact O-CB 3.31Å; D116-C120 PolarHBondContact O-N 3.2Å
117	E	77.3	Confident	73.5	Confident	17 Å²	17	62.9 Å²	62.9	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-43.6	174.4	-76.8	175.5	-178.9	0	0	112.1	R44 S46 K113 E115 C120 I121	R44-E117 IonicContact NH1-OE1 2.63Å; S46-E117 PolarHBondContact OG-OE1 2.98Å; S46-E117 PolarHBondContact OG-OE2 2.88Å; K113-E117 WeakPolarHBondContact CE-OE1 3.45Å; K113-E117 IonicContact NZ-OE1 2.67Å; K113-E117 WeakPolarHBondContact O-CB 3.5Å; K113-E117 WeakPolarHBondContact O-CG 3.41Å; K113-E117 PolarHBondContact O-N 2.85Å; E115-E117 PolarHBondContact O-N 2.9Å; E117-C120 WeakPolarHBondContact O-CB 3.47Å; E117-C120 PolarHBondContact O-N 3.14Å; E117-I121 PolarHBondContact O-N 3.48Å
118	Y	76.7	Confident	71	Confident	7 Å²	7	61.7 Å²	61.7	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-69.2	-40.9	176.5	-85.8	-116.1	0	0	0	112.2	L47 M55 F60 R63 L64 I67 Q114 E115 C120 I121 F122	L47-Y118 HydrophobicContact CD1-CE2 4.07Å; M55-Y118 HydrophobicContact CE-CE1 4.02Å; F60-Y118 AromaticContact CD2-CD1 3.94Å; F60-Y118 HydrophobicContact CD2-CD1 3.94Å; F60-Y118 HydrophobicContact CD2-CE1 4.11Å; F60-Y118 AromaticContact CE2-CD1 3.59Å; F60-Y118 HydrophobicContact CE2-CD1 3.59Å; F60-Y118 HydrophobicContact CE2-CE1 4.16Å; F60-Y118 HydrophobicContact CE2-CG 4.33Å; F60-Y118 AromaticContact CZ-CD1 3.94Å; F60-Y118 HydrophobicContact CZ-CD1 3.94Å; F60-Y118 WeakPolarHBondContact CZ-O 3.46Å; R63-Y118 HydrophobicContact CB-CE1 4.1Å; R63-Y118 WeakPolarHBondContact CD-OH 3.27Å; R63-Y118 HydrophobicContact CG-CE1 4.01Å; R63-Y118 VanDerWaalsContact CZ-OH 3.27Å; R63-Y118 PolarHBondContact NE-OH 2.99Å; R63-Y118 VanDerWaalsContact NE-OH 3.15Å; R63-Y118 PolarHBondContact NH1-OH 3.46Å; L64-Y118 HydrophobicContact CB-CD1 4.48Å; I67-Y118 HydrophobicContact CD1-CD2 4.03Å; I67-Y118 HydrophobicContact CD1-CE2 4.14Å; I67-Y118 HydrophobicContact CD1-CG 4.25Å; Q114-Y118 VanDerWaalsContact O-CD2 3.27Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.21Å; Q114-Y118 PolarHBondContact O-N 3.44Å; E115-Y118 PolarHBondContact O-N 2.86Å; Y118-C120 VanDerWaalsContact C-N 3.3Å; Y118-C120 PolarHBondContact O-N 3.47Å; Y118-I121 PolarHBondContact O-N 2.85Å; Y118-F122 PolarHBondContact O-N 3.34Å
119	L	75.2	Confident	68.3	Low	44 Å²	44	69.3 Å²	69.3	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-66.8	-31.3	176.6	-70.6	175.2	0	0	0	112.3	L64 E115 F122 R123	L64-L119 HydrophobicContact CD2-CD2 4.24Å; E115-L119 HydrophobicContact CG-CD1 3.87Å; E115-L119 HydrophobicContact CG-CG 4.28Å; E115-L119 WeakPolarHBondContact O-CB 3.4Å; E115-L119 VanDerWaalsContact O-CG 3.29Å; E115-L119 WeakPolarHBondContact O-CG 3.41Å; E115-L119 PolarHBondContact O-N 2.85Å; L119-F122 PolarHBondContact O-N 3.32Å; L119-R123 VanDerWaalsContact O-CG 3.31Å; L119-R123 WeakPolarHBondContact O-CG 3.32Å; L119-R123 PolarHBondContact O-N 3.22Å
120	C	69.9	Low	65.8	Low	65 Å²	65	72.8 Å²	72.8	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-51.8	170.6	-175.6	0	0	0	0	111	D116 E117 Y118 F122 R123 S124	D116-C120 VanDerWaalsContact O-CB 3.31Å; D116-C120 WeakPolarHBondContact O-CB 3.31Å; D116-C120 PolarHBondContact O-N 3.2Å; E117-C120 WeakPolarHBondContact O-CB 3.47Å; E117-C120 PolarHBondContact O-N 3.14Å; Y118-C120 VanDerWaalsContact C-N 3.3Å; Y118-C120 PolarHBondContact O-N 3.47Å; C120-F122 VanDerWaalsContact C-N 3.32Å; C120-F122 PolarHBondContact O-N 2.69Å; C120-R123 PolarHBondContact O-N 3.03Å; C120-S124 PolarHBondContact O-N 3.41Å; C120-S124 PolarHBondContact O-OG 2.94Å
121	I	66.7	Low	62.9	Low	17 Å²	17	71.7 Å²	71.7	9%	0.087	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-42.3	176.8	-68.6	158	0	0	0	111.5	L47 L52 F60 E117 Y118 R123 S124 V125	L47-I121 HydrophobicContact CD2-CD1 3.61Å; L52-I121 HydrophobicContact CD1-CD1 3.58Å; L52-I121 HydrophobicContact CD2-CD1 3.95Å; L52-I121 HydrophobicContact CD2-CG2 3.96Å; L52-I121 HydrophobicContact CG-CD1 4.42Å; F60-I121 HydrophobicContact CE2-CB 4.47Å; F60-I121 HydrophobicContact CE2-CG2 4.05Å; E117-I121 PolarHBondContact O-N 3.48Å; Y118-I121 PolarHBondContact O-N 2.85Å; I121-R123 VanDerWaalsContact C-N 3.33Å; I121-R123 PolarHBondContact O-N 3.2Å; I121-S124 PolarHBondContact O-N 3.4Å; I121-V125 HydrophobicContact CG2-CG2 4.17Å; I121-V125 WeakPolarHBondContact O-CB 3.47Å; I121-V125 WeakPolarHBondContact O-CG2 3.47Å; I121-V125 PolarHBondContact O-N 3.44Å
122	F	63.3	Low	60.2	Low	46 Å²	46	74.8 Å²	74.8	20%	0.202	40%	0.403	C	S	.	.	H	α-helix	trans	-58.3	-44.5	177.1	-171.9	-92.8	0	0	0	112.1	F21 F60 Y118 L119 C120 V125 F126	F21-F122 AromaticContact CE2-CE2 3.78Å; F21-F122 HydrophobicContact CE2-CE2 3.78Å; F21-F122 AromaticContact CE2-CZ 3.95Å; F21-F122 HydrophobicContact CE2-CZ 3.95Å; F21-F122 AromaticContact CZ-CE2 3.68Å; F21-F122 HydrophobicContact CZ-CE2 3.68Å; F21-F122 HydrophobicContact CZ-CZ 4.09Å; F60-F122 HydrophobicContact CE1-CB 4.31Å; F60-F122 AromaticContact CE1-CD2 3.83Å; F60-F122 HydrophobicContact CE1-CD2 3.83Å; F60-F122 HydrophobicContact CZ-CB 4.09Å; F60-F122 HydrophobicContact CZ-CD2 4.39Å; Y118-F122 PolarHBondContact O-N 3.34Å; L119-F122 PolarHBondContact O-N 3.32Å; C120-F122 VanDerWaalsContact C-N 3.32Å; C120-F122 PolarHBondContact O-N 2.69Å; F122-V125 PolarHBondContact O-N 3.09Å; F122-F126 HydrophobicContact CD1-CD2 4.48Å; F122-F126 AromaticContact CD2-CD2 3.79Å; F122-F126 HydrophobicContact CD2-CD2 3.79Å; F122-F126 HydrophobicContact CD2-CE2 4.02Å; F122-F126 HydrophobicContact CE1-CD2 4.28Å; F122-F126 AromaticContact CE2-CD2 3.57Å; F122-F126 HydrophobicContact CE2-CD2 3.57Å; F122-F126 AromaticContact CE2-CE2 3.69Å; F122-F126 HydrophobicContact CE2-CE2 3.69Å; F122-F126 HydrophobicContact CG-CD2 4.25Å; F122-F126 AromaticContact CZ-CD2 3.83Å; F122-F126 HydrophobicContact CZ-CD2 3.83Å; F122-F126 HydrophobicContact CZ-CE2 4.29Å; F122-F126 PolarHBondContact O-N 2.95Å
123	R	61	Low	57.6	Low	165 Å²	165	75.2 Å²	75.2	62%	0.623	41%	0.414	S	S	*	.	H	α-helix	trans	-64.5	-37.9	175.9	-72.1	168.2	173.2	179	-3.1	112.5	L119 C120 I121 F126	L119-R123 VanDerWaalsContact O-CG 3.31Å; L119-R123 WeakPolarHBondContact O-CG 3.32Å; L119-R123 PolarHBondContact O-N 3.22Å; C120-R123 PolarHBondContact O-N 3.03Å; I121-R123 VanDerWaalsContact C-N 3.33Å; I121-R123 PolarHBondContact O-N 3.2Å; R123-F126 CarbonylContact O-C 3.58Å
124	S	55.2	Low	55.1	Low	63 Å²	63	77.1 Å²	77.1	44%	0.441	43%	0.428	S	S	.	.	H	α-helix	trans	-70	-36.1	177.1	-62.3	0	0	0	0	113.3	C120 I121	C120-S124 PolarHBondContact O-N 3.41Å; C120-S124 PolarHBondContact O-OG 2.94Å; I121-S124 PolarHBondContact O-N 3.4Å
125	V	50.6	Low	52.6	Low	37 Å²	37	76.9 Å²	76.9	22%	0.224	44%	0.437	C	S	.	.	H	α-helix	trans	-83.9	-31.4	-178.7	176.4	0	0	0	0	112.3	F31 V33 I121 F122 P127	F31-V125 HydrophobicContact CD1-CG1 3.6Å; F31-V125 HydrophobicContact CE1-CG1 4.05Å; F31-V125 HydrophobicContact CG-CG1 4.45Å; V33-V125 HydrophobicContact CG2-CG2 4.02Å; I121-V125 HydrophobicContact CG2-CG2 4.17Å; I121-V125 WeakPolarHBondContact O-CB 3.47Å; I121-V125 WeakPolarHBondContact O-CG2 3.47Å; I121-V125 PolarHBondContact O-N 3.44Å; F122-V125 PolarHBondContact O-N 3.09Å; V125-P127 VanDerWaalsContact O-CD 3.24Å; V125-P127 WeakPolarHBondContact O-CD 3.33Å
126	F	47.9	Very low	50.1	Low	57 Å²	57	80.3 Å²	80.3	25%	0.25	46%	0.455	C	S	.	.			trans	-116.3	74	174.4	-60.6	-74.9	0	0	0	111.9	F21 F31 F122 R123 G128	F21-F126 HydrophobicContact CE1-CZ 4.46Å; F21-F126 HydrophobicContact CZ-CE2 4.17Å; F21-F126 HydrophobicContact CZ-CZ 4.25Å; F31-F126 AromaticContact CE1-CE2 3.79Å; F31-F126 HydrophobicContact CE1-CE2 3.79Å; F31-F126 AromaticContact CE1-CZ 3.9Å; F31-F126 HydrophobicContact CE1-CZ 3.9Å; F122-F126 HydrophobicContact CD1-CD2 4.48Å; F122-F126 AromaticContact CD2-CD2 3.79Å; F122-F126 HydrophobicContact CD2-CD2 3.79Å; F122-F126 HydrophobicContact CD2-CE2 4.02Å; F122-F126 HydrophobicContact CE1-CD2 4.28Å; F122-F126 AromaticContact CE2-CD2 3.57Å; F122-F126 HydrophobicContact CE2-CD2 3.57Å; F122-F126 AromaticContact CE2-CE2 3.69Å; F122-F126 HydrophobicContact CE2-CE2 3.69Å; F122-F126 HydrophobicContact CG-CD2 4.25Å; F122-F126 AromaticContact CZ-CD2 3.83Å; F122-F126 HydrophobicContact CZ-CD2 3.83Å; F122-F126 HydrophobicContact CZ-CE2 4.29Å; F122-F126 PolarHBondContact O-N 2.95Å; R123-F126 CarbonylContact O-C 3.58Å; F126-G128 PolarHBondContact O-N 2.88Å
127	P	35.1	Very low	47.7	Very low	110 Å²	110	80.4 Å²	80.4	71%	0.714	46%	0.46	S	S	*	.			trans	-74.1	62.6	173.7	32.6	-36.4	0	0	0	111.6	V125	V125-P127 VanDerWaalsContact O-CD 3.24Å; V125-P127 WeakPolarHBondContact O-CD 3.33Å
128	G	35.8	Very low	45.4	Very low	47 Å²	47	82.1 Å²	82.1	49%	0.485	48%	0.482	S	S	.	.			trans	-105.6	155.4	176.6	0	0	0	0	0	112.3	F126 H130	F126-G128 PolarHBondContact O-N 2.88Å; G128-H130 PolarHBondContact O-N 3.38Å
129	K	34.4	Very low	43.2	Very low	219 Å²	219	85.4 Å²	85.4	95%	0.952	51%	0.511	S	S	*	.			trans	-74.2	80.7	-177.5	-68.1	-173.5	178.6	-175.5	0	112.5
130	H	34.6	Very low	40.9	Very low	159 Å²	159	90.1 Å²	90.1	74%	0.736	54%	0.542	S	S	*	.			trans	-117.4	98.8	170.1	-64.5	-69.5	0	0	0	111	G128	G128-H130 PolarHBondContact O-N 3.38Å
131	G	27.5	Very low	38.8	Very low	69 Å²	69	91.4 Å²	91.4	71%	0.711	56%	0.557	S	S	*	*			trans	-74.7	163.5	153.4	0	0	0	0	0	110.1
132	S	30.6	Very low	36.9	Very low	75 Å²	75	95.8 Å²	95.8	52%	0.524	60%	0.596	S	S	.	*			trans	67.6	114.1	-166.2	-179	0	0	0	0	114.3	D134 S135	S132-D134 VanDerWaalsContact C-N 3.32Å; S132-S135 WeakPolarHBondContact CB-OG 3.38Å; S132-S135 PolarHBondContact OG-OG 2.71Å
133	T	34.5	Very low	35.2	Very low	103 Å²	103	97.5 Å²	97.5	63%	0.632	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-14.7	175.9	37.3	0	0	0	0	114.6
134	D	34.7	Very low	33.6	Very low	132 Å²	132	96 Å²	96	71%	0.706	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-8.7	-179.5	-73.2	-50.3	0	0	0	113.6	S132 L136	S132-D134 VanDerWaalsContact C-N 3.32Å; D134-L136 VanDerWaalsContact C-N 3.34Å; D134-L136 PolarHBondContact O-N 3.1Å; D134-L136 VanDerWaalsContact O-N 3.13Å
135	S	29.2	Very low	32.3	Very low	83 Å²	83	96.4 Å²	96.4	58%	0.58	66%	0.655	S	S	*	*			trans	-90.9	49.8	-170.6	-61	0	0	0	0	114.5	S132	S132-S135 WeakPolarHBondContact CB-OG 3.38Å; S132-S135 PolarHBondContact OG-OG 2.71Å
136	L	33.5	Very low	31.2	Very low	88 Å²	88	99 Å²	99	46%	0.461	68%	0.68	S	S	.	*	S	Bend	trans	-71.7	138	155	-75.1	172	0	0	0	109	D134 G138 A139	D134-L136 VanDerWaalsContact C-N 3.34Å; D134-L136 PolarHBondContact O-N 3.1Å; D134-L136 VanDerWaalsContact O-N 3.13Å; L136-G138 PolarHBondContact O-N 3.1Å; L136-A139 PolarHBondContact O-N 3.49Å
137	P	28.8	Very low	30.3	Very low	86 Å²	86	102.5 Å²	102.5	56%	0.558	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	106.1	178.6	25.6	-33.2	0	0	0	110.2
138	G	29.2	Very low	30	Very low	53 Å²	53	103 Å²	103	55%	0.546	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	142.9	-10.1	-176.6	0	0	0	0	0	116	L136 T140	L136-G138 PolarHBondContact O-N 3.1Å; G138-T140 VanDerWaalsContact C-N 3.32Å; G138-T140 PolarHBondContact O-N 2.86Å
139	A	29.6	Very low	29.6	Very low	76 Å²	76	106 Å²	106	63%	0.628	73%	0.727	S	S	*	*			trans	-69.2	-21.9	-178.9	0	0	0	0	0	114.8	L136 A141	L136-A139 PolarHBondContact O-N 3.49Å; A139-A141 PolarHBondContact O-N 3.22Å
140	T	27.7	Very low	29.7	Very low	143 Å²	143	100.8 Å²	100.8	88%	0.877	72%	0.715	S	S	*	*			trans	-99.3	72.4	-170.4	48.4	0	0	0	0	113.6	G138	G138-T140 VanDerWaalsContact C-N 3.32Å; G138-T140 PolarHBondContact O-N 2.86Å
141	A	25.4	Very low	29.4	Very low	91 Å²	91	99.6 Å²	99.6	75%	0.752	72%	0.719	S	S	*	*			trans	-150.4	61	-177.7	0	0	0	0	0	116.8	A139	A139-A141 PolarHBondContact O-N 3.22Å
142	A	26.7	Very low	29.4	Very low	110 Å²	110	100 Å²	100	91%	0.909	72%	0.724	S	S	*	*			trans	-168.5	56.3	158.1	0	0	0	0	0	114.3
143	G	26.8	Very low	29.3	Very low	81 Å²	81	101.5 Å²	101.5	84%	0.835	73%	0.734	S	S	*	*			trans	-137.9	96.7	-178	0	0	0	0	0	113.8
144	S	29	Very low	29	Very low	135 Å²	135	103 Å²	103	94%	0.944	74%	0.743	S	S	*	*			trans	-58.7	139.6	-172.6	-50	0	0	0	0	116.5
145	G	27	Very low	28.8	Very low	71 Å²	71	100.6 Å²	100.6	73%	0.732	75%	0.749	S	S	*	*			trans	145.5	112.8	142.8	0	0	0	0	0	119.4
146	A	27.9	Very low	28.7	Very low	91 Å²	91	102 Å²	102	75%	0.752	76%	0.759	S	S	*	*			trans	36.2	96.2	138.6	0	0	0	0	0	119.3
147	T	28.8	Very low	28.6	Very low	131 Å²	131	109.6 Å²	109.6	80%	0.804	78%	0.781	S	S	*	*				84	144.6	86.9	54.4	0	0	0	0	117.7
148	S	29.7	Very low	28.4	Very low	119 Å²	119	115.6 Å²	115.6	83%	0.832	80%	0.799	S	S	*	*			trans	66.2	114.3	165.6	49.3	0	0	0	0	119.9
149	S	27.1	Very low	28.3	Very low	112 Å²	112	117.9 Å²	117.9	78%	0.783	81%	0.813	S	S	*	*			trans	-95.3	-179	161.2	27.2	0	0	0	0	110.7
150	P	36.3	Very low	28	Very low	108 Å²	108	119.5 Å²	119.5	70%	0.701	82%	0.819	S	S	*	*			cis	-134	-155.2	-31.4	31.1	-8.6	0	0	0	112.2
151	T	28.9	Very low	27.9	Very low	134 Å²	134	118.8 Å²	118.8	82%	0.822	82%	0.819	S	S	*	*			trans	94.8	126.4	158.7	72.9	0	0	0	0	120.4
152	G	26.8	Very low	27.8	Very low	79 Å²	79	119 Å²	119	81%	0.814	81%	0.814	S	S	*	*			trans	72.6	155.4	157.6	0	0	0	0	0	118
153	S	29.1	Very low	27.8	Very low	105 Å²	105	122.6 Å²	122.6	73%	0.734	81%	0.81	S	S	*	*			cis	-161.4	147.5	-20.7	-165.3	0	0	0	0	110.2
154	T	28.1	Very low	27.7	Very low	136 Å²	136	127 Å²	127	83%	0.834	81%	0.807	S	S	*	*			trans	15.9	118.9	151.3	56.2	0	0	0	0	119.6
155	G	28.7	Very low	27.6	Very low	81 Å²	81	124.8 Å²	124.8	84%	0.835	80%	0.796	S	S	*	*			trans	-167.5	58.8	176.7	0	0	0	0	0	118
156	S	28.8	Very low	27.5	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	80%	0.799	S	S	*	*			trans	-69.3	140.3	175.2	-56.8	0	0	0	0	113.8
157	R	29.5	Very low	27.6	Very low	247 Å²	247	128.9 Å²	128.9	93%	0.932	80%	0.802	S	S	*	*				-177.1	148.4	125.1	-97.1	151	-155.3	-114.8	1.6	114
158	K	25.4	Very low	27.8	Very low	212 Å²	212	126.2 Å²	126.2	92%	0.922	80%	0.801	S	S	*	*			trans	-70.9	141.6	168.7	-61.3	171.4	177.6	175.7	0	110.6
159	A	27.4	Very low	27.8	Very low	102 Å²	102	127.7 Å²	127.7	84%	0.843	80%	0.799	S	S	*	*			trans	-154.9	139.3	149.7	0	0	0	0	0	110.7
160	S	24	Very low	28	Very low	109 Å²	109	129.8 Å²	129.8	76%	0.762	80%	0.801	S	S	*	*			trans	-80.4	149.1	169.9	52.5	0	0	0	0	111.6
161	C	25	Very low	27.9	Very low	129 Å²	129	132.1 Å²	132.1	87%	0.872	81%	0.806	S	S	*	*				-171	167	122.3	-106.5	0	0	0	0	113.2
162	S	22.8	Very low	28	Very low	94 Å²	94	133.7 Å²	133.7	66%	0.657	80%	0.804	S	S	*	*			trans	-105.9	-178.1	-172.9	52.4	0	0	0	0	113
163	F	26.2	Very low	28.3	Very low	186 Å²	186	139.1 Å²	139.1	82%	0.816	81%	0.808	S	S	*	*			trans	81.4	154.6	179.5	-71	-111.9	0	0	0	116.8
164	K	25.3	Very low	28.4	Very low	175 Å²	175	142.1 Å²	142.1	76%	0.761	81%	0.811	S	S	*	*			cis	169.2	121.7	-38.8	165	-178.7	179	-177.4	0	108
165	A	25.9	Very low	28.6	Very low	87 Å²	87	142.7 Å²	142.7	72%	0.719	81%	0.809	S	S	*	*			trans	63.1	164	175.4	0	0	0	0	0	114.3
166	T	26.8	Very low	28.7	Very low	132 Å²	132	146.2 Å²	146.2	81%	0.81	81%	0.808	S	S	*	*			cis	-149	172.2	4.2	-22.6	0	0	0	0	110.6
167	S	29.7	Very low	28.8	Very low	116 Å²	116	150.4 Å²	150.4	81%	0.811	81%	0.812	S	S	*	*			trans	-41.3	154	176.6	-37.5	0	0	0	0	118.6
168	G	32	Very low	28.7	Very low	75 Å²	75	148.2 Å²	148.2	77%	0.773	81%	0.809	S	S	*	*			trans	-173.3	126.7	163.8	0	0	0	0	0	112.1
169	D	30.4	Very low	28.7	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	80%	0.802	S	S	*	*			trans	-95.6	179.4	-169.4	-69.7	-74	0	0	0	115.3
170	L	31.3	Very low	28.6	Very low	156 Å²	156	144.1 Å²	144.1	82%	0.817	80%	0.801	S	S	*	*			trans	74.1	122.5	151.6	-81.6	156.1	0	0	0	116.6
171	I	33.7	Very low	28.8	Very low	157 Å²	157	149.6 Å²	149.6	81%	0.805	81%	0.805	S	S	*	*				-158.6	159.2	67.5	-97	153.7	0	0	0	112.4
172	E	30.4	Very low	28.7	Very low	167 Å²	167	149.5 Å²	149.5	78%	0.78	80%	0.804	S	S	*	*			trans	-69.4	154.6	176	-49.4	163.2	98.6	0	0	114.5
173	Q	34	Very low	29.1	Very low	193 Å²	193	149.6 Å²	149.6	90%	0.902	80%	0.802	S	S	*	*				-167.3	158.9	118.7	-107.7	170.8	44.7	0	0	115.4
174	Q	30.3	Very low	29	Very low	168 Å²	168	149 Å²	149	79%	0.785	81%	0.808	S	S	*	*			trans	-70.6	146.2	-169.4	-56	158.5	-1	0	0	113.8
175	N	32.7	Very low	29.2	Very low	149 Å²	149	145.1 Å²	145.1	80%	0.797	80%	0.799	S	S	*	*				-174.5	159.9	110.4	-106.7	-78.8	0	0	0	114.2
176	L	30.5	Very low	29.1	Very low	155 Å²	155	145.2 Å²	145.2	81%	0.812	80%	0.8	S	S	*	*			trans	-85.9	138.1	-173.3	-54.1	91.8	0	0	0	113.4
177	K	30.8	Very low	29.4	Very low	200 Å²	200	147.1 Å²	147.1	87%	0.87	80%	0.801	S	S	*	*			trans	-166.7	122.6	144.7	-104.3	142.2	-170.3	172.6	0	113.7
178	K	29	Very low	29.3	Very low	201 Å²	201	148.2 Å²	148.2	87%	0.874	80%	0.804	S	S	*	*			trans	40.6	110.5	152.8	-62.6	-172.9	175.5	-173.8	0	118.3	S180	K178-S180 PolarHBondContact O-N 3.02Å
179	S	25.4	Very low	29.1	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	80%	0.8	S	S	*	*			trans	-62.3	123.8	172.2	42.6	0	0	0	0	114.1
180	S	25.4	Very low	29.1	Very low	117 Å²	117	145.6 Å²	145.6	82%	0.818	80%	0.796	S	S	*	*			trans	-108.8	128.9	142.9	49.9	0	0	0	0	107.4	K178	K178-S180 PolarHBondContact O-N 3.02Å
181	W	26.8	Very low	29.2	Very low	224 Å²	224	142.7 Å²	142.7	85%	0.848	79%	0.789	S	S	*	*			trans	-125.1	100	-176.5	-95.1	48.7	0	0	0	109.9
182	C	24.1	Very low	29.2	Very low	128 Å²	128	140.5 Å²	140.5	87%	0.865	78%	0.779	S	S	*	*			trans	-99.1	111.1	158.3	-65.4	0	0	0	0	107.2	N184	C182-N184 PolarHBondContact O-N 3.31Å
183	P	30.7	Very low	29.4	Very low	95 Å²	95	135.5 Å²	135.5	62%	0.617	76%	0.762	S	S	*	*			trans	-91.3	89.1	178.3	2.7	17.6	0	0	0	109.9	V185	P183-V185 HydrophobicContact CB-CG2 3.72Å; P183-V185 PolarHBondContact O-N 3.41Å
184	N	24.9	Very low	29.4	Very low	173 Å²	173	128.7 Å²	128.7	93%	0.925	74%	0.738	S	S	*	*			trans	-78.2	103.1	154.8	-140.6	3.8	0	0	0	105.9	C182	C182-N184 PolarHBondContact O-N 3.31Å
185	V	28.3	Very low	29.6	Very low	94 Å²	94	125.5 Å²	125.5	57%	0.57	72%	0.722	S	S	*	*			trans	-128	99.1	-174.3	-176	0	0	0	0	110.5	P183 M187	P183-V185 HydrophobicContact CB-CG2 3.72Å; P183-V185 PolarHBondContact O-N 3.41Å; V185-M187 HydrophobicContact CG1-CG 4Å; V185-M187 HydrophobicContact CG1-SD 3.66Å; V185-M187 PolarHBondContact O-N 2.88Å
186	A	24.4	Very low	30.1	Very low	90 Å²	90	126.1 Å²	126.1	74%	0.744	72%	0.718	S	S	*	*			trans	-72.2	119.1	163.1	0	0	0	0	0	109.3	T188	A186-T188 PolarHBondContact O-N 3.06Å
187	M	32.4	Very low	30.8	Very low	171 Å²	171	124.4 Å²	124.4	84%	0.842	71%	0.706	S	S	*	*			trans	-95.9	81.4	176	-71	-62	-74.1	0	0	111	V185	V185-M187 HydrophobicContact CG1-CG 4Å; V185-M187 HydrophobicContact CG1-SD 3.66Å; V185-M187 PolarHBondContact O-N 2.88Å
188	T	27.4	Very low	31.2	Very low	140 Å²	140	120.8 Å²	120.8	86%	0.859	70%	0.696	S	S	*	*			trans	-78.2	110.5	162.7	51.5	0	0	0	0	110	A186	A186-T188 PolarHBondContact O-N 3.06Å
189	G	27.7	Very low	32.3	Very low	68 Å²	68	114.9 Å²	114.9	70%	0.701	67%	0.671	S	S	*	*			trans	148.5	139	162.7	0	0	0	0	0	116.6
190	S	31.9	Very low	33.9	Very low	101 Å²	101	116.6 Å²	116.6	71%	0.706	67%	0.667	S	S	*	*			trans	60.4	101.4	169	-155.3	0	0	0	0	117.4	D192	S190-D192 VanDerWaalsContact C-N 3.27Å; S190-D192 PolarHBondContact O-N 3.12Å
191	S	32.6	Very low	34.8	Very low	96 Å²	96	113.7 Å²	113.7	67%	0.671	65%	0.65	S	S	*	*	S	Bend	trans	-71.3	-14.7	174.5	42.5	0	0	0	0	115
192	D	33.1	Very low	35.5	Very low	111 Å²	111	108.5 Å²	108.5	59%	0.594	64%	0.635	S	S	*	*	H	α-helix	trans	-98.1	-21.6	-153.5	-68.5	10.8	0	0	0	114.3	S190	S190-D192 VanDerWaalsContact C-N 3.27Å; S190-D192 PolarHBondContact O-N 3.12Å
193	S	34.5	Very low	37.1	Very low	62 Å²	62	106.5 Å²	106.5	43%	0.434	62%	0.616	S	S	.	*	H	α-helix	trans	-76.4	-43	173.7	87.8	0	0	0	0	111.4	F195 F196 E197	S193-F195 PolarHBondContact O-N 3.3Å; S193-F195 VanDerWaalsContact O-N 3.12Å; S193-F196 PolarHBondContact O-N 3.26Å; S193-E197 WeakPolarHBondContact CB-OE1 3.41Å; S193-E197 WeakPolarHBondContact O-CG 3.45Å; S193-E197 PolarHBondContact O-N 3.41Å; S193-E197 PolarHBondContact OG-OE1 2.95Å
194	A	34.4	Very low	38.5	Very low	49 Å²	49	104.3 Å²	104.3	41%	0.405	61%	0.606	S	S	.	*	H	α-helix	trans	-55.9	-33.1	-179.8	0	0	0	0	0	113.3	L198	A194-L198 VanDerWaalsContact O-CB 3.29Å; A194-L198 WeakPolarHBondContact O-CB 3.3Å; A194-L198 WeakPolarHBondContact O-CD1 3.47Å; A194-L198 WeakPolarHBondContact O-CG 3.4Å; A194-L198 PolarHBondContact O-N 2.98Å
195	F	34.6	Very low	39.2	Very low	101 Å²	101	100.6 Å²	100.6	44%	0.443	59%	0.585	S	S	.	*	H	α-helix	trans	-70.1	-38.9	175.7	-166.1	-83.6	0	0	0	112.5	S193 Q199	S193-F195 PolarHBondContact O-N 3.3Å; S193-F195 VanDerWaalsContact O-N 3.12Å; F195-Q199 WeakPolarHBondContact O-CB 3.43Å; F195-Q199 PolarHBondContact O-N 3.11Å; F195-Q199 VanDerWaalsContact O-N 3.08Å
196	F	43.8	Very low	40.6	Very low	163 Å²	163	99.7 Å²	99.7	72%	0.715	58%	0.58	S	S	*	*	H	α-helix	trans	-71.2	-43.3	175	-89.4	-83.2	0	0	0	111.7	S193 L198 Q199 E200	S193-F196 PolarHBondContact O-N 3.26Å; F196-L198 VanDerWaalsContact C-N 3.33Å; F196-L198 PolarHBondContact O-N 3.22Å; F196-Q199 PolarHBondContact O-N 2.67Å; F196-E200 WeakPolarHBondContact O-CB 3.38Å; F196-E200 PolarHBondContact O-N 2.88Å
197	E	45.3	Very low	42.6	Very low	118 Å²	118	101.7 Å²	101.7	55%	0.551	57%	0.572	S	S	*	*	H	α-helix	trans	-61.4	-40	177.1	-69	168.2	-123.6	0	0	111.7	S193 A201	S193-E197 WeakPolarHBondContact CB-OE1 3.41Å; S193-E197 WeakPolarHBondContact O-CG 3.45Å; S193-E197 PolarHBondContact O-N 3.41Å; S193-E197 PolarHBondContact OG-OE1 2.95Å; E197-A201 WeakPolarHBondContact O-CB 3.29Å; E197-A201 PolarHBondContact O-N 3.39Å
198	L	39.4	Very low	43.1	Very low	125 Å²	125	98.5 Å²	98.5	65%	0.654	56%	0.556	S	S	*	*	H	α-helix	trans	-68.3	-39.4	173.1	-79.9	167.1	0	0	0	113.1	A194 F196 Q202	A194-L198 VanDerWaalsContact O-CB 3.29Å; A194-L198 WeakPolarHBondContact O-CB 3.3Å; A194-L198 WeakPolarHBondContact O-CD1 3.47Å; A194-L198 WeakPolarHBondContact O-CG 3.4Å; A194-L198 PolarHBondContact O-N 2.98Å; F196-L198 VanDerWaalsContact C-N 3.33Å; F196-L198 PolarHBondContact O-N 3.22Å; L198-Q202 WeakPolarHBondContact O-CB 3.24Å; L198-Q202 PolarHBondContact O-N 3.1Å
199	Q	52.3	Low	43.9	Very low	76 Å²	76	97 Å²	97	36%	0.355	54%	0.542	S	S	.	.	H	α-helix	trans	-67.9	-40.7	178	-170.2	67.8	78.1	0	0	111.6	F195 F196 Q202 D203	F195-Q199 WeakPolarHBondContact O-CB 3.43Å; F195-Q199 PolarHBondContact O-N 3.11Å; F195-Q199 VanDerWaalsContact O-N 3.08Å; F196-Q199 PolarHBondContact O-N 2.67Å; Q199-Q202 VanDerWaalsContact NE2-OE1 3.16Å; Q199-Q202 PolarHBondContact O-N 3.39Å; Q199-D203 PolarHBondContact O-N 2.86Å
200	E	58.5	Low	45.1	Very low	147 Å²	147	97.7 Å²	97.7	69%	0.687	53%	0.53	S	S	*	.	H	α-helix	trans	-68.8	-40.2	176	-175.2	165	-151.1	0	0	111.5	F196 Q202 D203 A204	F196-E200 WeakPolarHBondContact O-CB 3.38Å; F196-E200 PolarHBondContact O-N 2.88Å; E200-Q202 VanDerWaalsContact C-N 3.33Å; E200-Q202 PolarHBondContact O-N 2.63Å; E200-D203 PolarHBondContact O-N 3.5Å; E200-A204 VanDerWaalsContact O-CB 3.22Å; E200-A204 WeakPolarHBondContact O-CB 3.43Å; E200-A204 PolarHBondContact O-N 2.88Å
201	A	43.3	Very low	46.1	Very low	56 Å²	56	98.4 Å²	98.4	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-61.6	-39	171.3	0	0	0	0	0	112.3	E197 L205	E197-A201 WeakPolarHBondContact O-CB 3.29Å; E197-A201 PolarHBondContact O-N 3.39Å; A201-L205 VanDerWaalsContact O-CB 3.3Å; A201-L205 WeakPolarHBondContact O-CB 3.38Å; A201-L205 PolarHBondContact O-N 3.34Å
202	Q	42.9	Very low	46.5	Very low	115 Å²	115	99 Å²	99	54%	0.537	51%	0.514	S	S	.	.	H	α-helix	trans	-66.2	-48.6	176	-171.5	177	36.9	0	0	111.7	L198 Q199 E200 A204 L205 V206	L198-Q202 WeakPolarHBondContact O-CB 3.24Å; L198-Q202 PolarHBondContact O-N 3.1Å; Q199-Q202 VanDerWaalsContact NE2-OE1 3.16Å; Q199-Q202 PolarHBondContact O-N 3.39Å; E200-Q202 VanDerWaalsContact C-N 3.33Å; E200-Q202 PolarHBondContact O-N 2.63Å; Q202-A204 VanDerWaalsContact C-N 3.29Å; Q202-A204 PolarHBondContact O-N 2.96Å; Q202-L205 PolarHBondContact O-N 2.91Å; Q202-L205 VanDerWaalsContact O-N 3.16Å; Q202-V206 WeakPolarHBondContact O-CG2 3.49Å; Q202-V206 PolarHBondContact O-N 2.93Å
203	D	57.7	Low	46.9	Very low	85 Å²	85	103.5 Å²	103.5	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-36	176.6	-87.8	21.3	0	0	0	112	Q199 E200 K207	Q199-D203 PolarHBondContact O-N 2.86Å; E200-D203 PolarHBondContact O-N 3.5Å; D203-K207 WeakPolarHBondContact O-CB 3.3Å; D203-K207 VanDerWaalsContact O-CG 3.27Å; D203-K207 WeakPolarHBondContact O-CG 3.27Å; D203-K207 PolarHBondContact O-N 2.87Å
204	A	58.5	Low	47.7	Very low	49 Å²	49	106 Å²	106	41%	0.405	54%	0.535	S	S	.	.	H	α-helix	trans	-68.4	-37.5	173.8	0	0	0	0	0	112.4	E200 Q202 K207 M208	E200-A204 VanDerWaalsContact O-CB 3.22Å; E200-A204 WeakPolarHBondContact O-CB 3.43Å; E200-A204 PolarHBondContact O-N 2.88Å; Q202-A204 VanDerWaalsContact C-N 3.29Å; Q202-A204 PolarHBondContact O-N 2.96Å; A204-K207 PolarHBondContact O-N 3.44Å; A204-M208 WeakPolarHBondContact O-CB 3.48Å; A204-M208 WeakPolarHBondContact O-CG 3.27Å; A204-M208 PolarHBondContact O-N 2.95Å
205	L	39.9	Very low	47.9	Very low	95 Å²	95	110.5 Å²	110.5	50%	0.497	55%	0.55	S	S	.	.	H	α-helix	trans	-71.8	-39.3	178	-156.4	159.5	0	0	0	111.3	A201 Q202 M208 L209	A201-L205 VanDerWaalsContact O-CB 3.3Å; A201-L205 WeakPolarHBondContact O-CB 3.38Å; A201-L205 PolarHBondContact O-N 3.34Å; Q202-L205 PolarHBondContact O-N 2.91Å; Q202-L205 VanDerWaalsContact O-N 3.16Å; L205-M208 HydrophobicContact CG-CE 4.39Å; L205-M208 PolarHBondContact O-N 3.16Å; L205-L209 HydrophobicContact CD2-CD1 3.65Å; L205-L209 HydrophobicContact CD2-CG 4.11Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 3.31Å
206	V	58.5	Low	48.1	Very low	75 Å²	75	111.4 Å²	111.4	46%	0.455	56%	0.555	S	S	.	*	H	α-helix	trans	-63	-45.4	171	173.8	0	0	0	0	111	Q202 M208 L209 D210	Q202-V206 WeakPolarHBondContact O-CG2 3.49Å; Q202-V206 PolarHBondContact O-N 2.93Å; V206-M208 PolarHBondContact O-N 3.4Å; V206-L209 PolarHBondContact O-N 2.94Å; V206-L209 VanDerWaalsContact O-N 3.14Å; V206-D210 PolarHBondContact O-N 3.46Å
207	K	65.9	Low	47.7	Very low	133 Å²	133	107.4 Å²	107.4	58%	0.578	56%	0.56	S	S	*	*	H	α-helix	trans	-61.3	-40	174.1	-76.5	169	-175.8	163.3	0	112.7	D203 A204 L209 Q211	D203-K207 WeakPolarHBondContact O-CB 3.3Å; D203-K207 VanDerWaalsContact O-CG 3.27Å; D203-K207 WeakPolarHBondContact O-CG 3.27Å; D203-K207 PolarHBondContact O-N 2.87Å; A204-K207 PolarHBondContact O-N 3.44Å; K207-L209 VanDerWaalsContact C-N 3.35Å; K207-Q211 VanDerWaalsContact O-CB 3.28Å; K207-Q211 WeakPolarHBondContact O-CB 3.28Å; K207-Q211 VanDerWaalsContact O-CG 3.27Å; K207-Q211 WeakPolarHBondContact O-CG 3.33Å; K207-Q211 PolarHBondContact O-N 2.94Å
208	M	44	Very low	47.3	Very low	104 Å²	104	107.8 Å²	107.8	51%	0.512	57%	0.565	S	S	.	*	H	α-helix	trans	-62.8	-40.4	172.7	-84.3	-162.7	-60.1	0	0	112	A204 L205 V206 Q211 H212	A204-M208 WeakPolarHBondContact O-CB 3.48Å; A204-M208 WeakPolarHBondContact O-CG 3.27Å; A204-M208 PolarHBondContact O-N 2.95Å; L205-M208 HydrophobicContact CG-CE 4.39Å; L205-M208 PolarHBondContact O-N 3.16Å; V206-M208 PolarHBondContact O-N 3.4Å; M208-Q211 PolarHBondContact O-N 2.9Å; M208-H212 WeakPolarHBondContact O-CB 3.49Å; M208-H212 PolarHBondContact O-N 2.91Å
209	L	43.3	Very low	47.3	Very low	107 Å²	107	105 Å²	105	56%	0.56	55%	0.551	S	S	*	*	H	α-helix	trans	-65.3	-46.5	178.4	-77.9	168.7	0	0	0	111.7	L205 V206 K207 H212 R213	L205-L209 HydrophobicContact CD2-CD1 3.65Å; L205-L209 HydrophobicContact CD2-CG 4.11Å; L205-L209 WeakPolarHBondContact O-CG 3.49Å; L205-L209 PolarHBondContact O-N 3.31Å; V206-L209 PolarHBondContact O-N 2.94Å; V206-L209 VanDerWaalsContact O-N 3.14Å; K207-L209 VanDerWaalsContact C-N 3.35Å; L209-H212 WeakPolarHBondContact O-CB 3.44Å; L209-H212 PolarHBondContact O-N 2.88Å; L209-R213 WeakPolarHBondContact O-CB 3.42Å; L209-R213 PolarHBondContact O-N 3.24Å
210	D	53.8	Low	46.8	Very low	84 Å²	84	106 Å²	106	45%	0.449	56%	0.562	S	S	.	*	H	α-helix	trans	-68.6	-32.3	175.8	-82	-23.4	0	0	0	112.7	V206 R213 T214	V206-D210 PolarHBondContact O-N 3.46Å; D210-R213 PolarHBondContact O-N 3.37Å; D210-T214 WeakPolarHBondContact O-CB 3.37Å; D210-T214 WeakPolarHBondContact O-CG2 3.27Å; D210-T214 PolarHBondContact O-N 3.24Å; D210-T214 PolarHBondContact O-OG1 3.43Å
211	Q	51.1	Low	46.2	Very low	115 Å²	115	105 Å²	105	54%	0.537	56%	0.561	S	S	.	*	H	α-helix	trans	-66.6	-38.3	169.5	-76.6	179.3	-16	0	0	112	K207 M208 R213 T214 M215	K207-Q211 VanDerWaalsContact O-CB 3.28Å; K207-Q211 WeakPolarHBondContact O-CB 3.28Å; K207-Q211 VanDerWaalsContact O-CG 3.27Å; K207-Q211 WeakPolarHBondContact O-CG 3.33Å; K207-Q211 PolarHBondContact O-N 2.94Å; M208-Q211 PolarHBondContact O-N 2.9Å; Q211-R213 VanDerWaalsContact C-N 3.34Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.43Å; Q211-T214 PolarHBondContact O-N 2.94Å; Q211-T214 PolarHBondContact O-OG1 3.03Å; Q211-M215 HydrophobicContact CB-CE 4.41Å; Q211-M215 VanDerWaalsContact O-CB 3.26Å; Q211-M215 WeakPolarHBondContact O-CB 3.35Å; Q211-M215 VanDerWaalsContact O-CG 3.29Å; Q211-M215 WeakPolarHBondContact O-CG 3.44Å; Q211-M215 PolarHBondContact O-N 3.23Å
212	H	41.6	Very low	46.5	Very low	110 Å²	110	108.1 Å²	108.1	51%	0.509	57%	0.565	S	S	.	*	H	α-helix	trans	-62.5	-43.5	170.9	-118.7	-92	0	0	0	111.4	M208 L209 T214 M215 Q216	M208-H212 WeakPolarHBondContact O-CB 3.49Å; M208-H212 PolarHBondContact O-N 2.91Å; L209-H212 WeakPolarHBondContact O-CB 3.44Å; L209-H212 PolarHBondContact O-N 2.88Å; H212-T214 VanDerWaalsContact C-N 3.28Å; H212-T214 PolarHBondContact O-N 3.49Å; H212-M215 PolarHBondContact O-N 2.85Å; H212-Q216 PolarHBondContact ND1-NE2 3.35Å; H212-Q216 WeakPolarHBondContact O-CB 3.5Å; H212-Q216 WeakPolarHBondContact O-CG 3.35Å; H212-Q216 PolarHBondContact O-N 3.04Å
213	R	42.3	Very low	46.4	Very low	205 Å²	205	106 Å²	106	77%	0.774	56%	0.562	S	S	*	*	H	α-helix	trans	-67.5	-25.5	-178.9	-152.7	176.4	-162.3	174.1	3.2	113.4	L209 D210 Q211	L209-R213 WeakPolarHBondContact O-CB 3.42Å; L209-R213 PolarHBondContact O-N 3.24Å; D210-R213 PolarHBondContact O-N 3.37Å; Q211-R213 VanDerWaalsContact C-N 3.34Å
214	T	49.9	Very low	45.9	Very low	114 Å²	114	105.6 Å²	105.6	70%	0.699	56%	0.563	S	S	*	*	H	α-helix	trans	-99.4	-22.4	177.8	50	0	0	0	0	113.9	D210 Q211 H212	D210-T214 WeakPolarHBondContact O-CB 3.37Å; D210-T214 WeakPolarHBondContact O-CG2 3.27Å; D210-T214 PolarHBondContact O-N 3.24Å; D210-T214 PolarHBondContact O-OG1 3.43Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.43Å; Q211-T214 PolarHBondContact O-N 2.94Å; Q211-T214 PolarHBondContact O-OG1 3.03Å; H212-T214 VanDerWaalsContact C-N 3.28Å; H212-T214 PolarHBondContact O-N 3.49Å
215	M	39.2	Very low	45.5	Very low	144 Å²	144	108.8 Å²	108.8	71%	0.709	57%	0.57	S	S	*	*	H	α-helix	trans	-91.5	-18.4	175.1	-67	-166.1	-57.9	0	0	114.3	Q211 H212 G217	Q211-M215 HydrophobicContact CB-CE 4.41Å; Q211-M215 VanDerWaalsContact O-CB 3.26Å; Q211-M215 WeakPolarHBondContact O-CB 3.35Å; Q211-M215 VanDerWaalsContact O-CG 3.29Å; Q211-M215 WeakPolarHBondContact O-CG 3.44Å; Q211-M215 PolarHBondContact O-N 3.23Å; H212-M215 PolarHBondContact O-N 2.85Å; M215-G217 PolarHBondContact O-N 3.32Å
216	Q	39.2	Very low	45.9	Very low	119 Å²	119	110.2 Å²	110.2	56%	0.556	57%	0.573	S	S	*	*			trans	-79	60.2	173.6	-73.4	-171.6	-26.2	0	0	112.8	H212 L218	H212-Q216 PolarHBondContact ND1-NE2 3.35Å; H212-Q216 WeakPolarHBondContact O-CB 3.5Å; H212-Q216 WeakPolarHBondContact O-CG 3.35Å; H212-Q216 PolarHBondContact O-N 3.04Å; Q216-L218 HydrophobicContact CG-CD1 4.46Å; Q216-L218 PolarHBondContact O-N 3.31Å
217	G	35.5	Very low	45.1	Very low	79 Å²	79	110.7 Å²	110.7	81%	0.814	58%	0.576	S	S	*	*			trans	-71.2	37.5	159.8	0	0	0	0	0	112.8	M215	M215-G217 PolarHBondContact O-N 3.32Å
218	L	36.9	Very low	44	Very low	126 Å²	126	110.8 Å²	110.8	66%	0.66	58%	0.579	S	S	*	*			trans	-81.8	129.3	177.1	-76.4	167.3	0	0	0	109.2	Q216 V220	Q216-L218 HydrophobicContact CG-CD1 4.46Å; Q216-L218 PolarHBondContact O-N 3.31Å; L218-V220 VanDerWaalsContact C-N 3.34Å; L218-V220 PolarHBondContact O-N 3.16Å
219	D	40	Very low	44.3	Very low	68 Å²	68	113.8 Å²	113.8	36%	0.364	59%	0.592	S	S	.	*			trans	-72.2	86.2	-177.9	-167.9	-15.3	0	0	0	110.5	N221 K222 S223	D219-N221 PolarHBondContact O-N 3.37Å; D219-N221 WeakPolarHBondContact OD1-CB 3.11Å; D219-N221 PolarHBondContact OD1-N 2.97Å; D219-K222 HydrophobicContact CB-CB 4.21Å; D219-K222 HydrophobicContact CB-CD 4.35Å; D219-K222 HydrophobicContact CB-CG 4.48Å; D219-K222 PolarHBondContact O-N 3.37Å; D219-K222 PolarHBondContact OD1-N 3.39Å; D219-K222 VanDerWaalsContact OD1-N 3.09Å; D219-K222 WeakPolarHBondContact OD2-CD 3.48Å; D219-K222 WeakPolarHBondContact OD2-CE 3.3Å; D219-K222 VanDerWaalsContact OD2-CG 3.3Å; D219-K222 WeakPolarHBondContact OD2-CG 3.49Å; D219-K222 IonicContact OD2-NZ 2.74Å; D219-K222 PolarHBondContact OD2-NZ 3.13Å; D219-S223 PolarHBondContact O-N 3.02Å; D219-S223 VanDerWaalsContact O-N 3.1Å; D219-S223 PolarHBondContact O-OG 3.01Å
220	V	40.4	Very low	44.2	Very low	97 Å²	97	118.5 Å²	118.5	59%	0.588	60%	0.602	S	S	*	*	H	α-helix	trans	-59.7	-32.4	177.3	-179.9	0	0	0	0	110.5	L218 S223 V224	L218-V220 VanDerWaalsContact C-N 3.34Å; L218-V220 PolarHBondContact O-N 3.16Å; V220-S223 WeakPolarHBondContact O-CB 3.38Å; V220-S223 PolarHBondContact O-N 3.34Å; V220-V224 HydrophobicContact CG1-CG2 4.3Å; V220-V224 WeakPolarHBondContact O-CG2 3.41Å; V220-V224 PolarHBondContact O-N 2.75Å
221	N	45.7	Very low	43.4	Very low	125 Å²	125	120 Å²	120	67%	0.668	61%	0.606	S	S	*	*	H	α-helix	trans	-64.9	-47.2	178.7	-61	-35.6	0	0	0	111.1	D219 S223 V224 E225	D219-N221 PolarHBondContact O-N 3.37Å; D219-N221 WeakPolarHBondContact OD1-CB 3.11Å; D219-N221 PolarHBondContact OD1-N 2.97Å; N221-S223 VanDerWaalsContact C-N 3.28Å; N221-S223 PolarHBondContact O-N 3.38Å; N221-V224 PolarHBondContact O-N 3.34Å; N221-E225 WeakPolarHBondContact O-CG 3.36Å; N221-E225 PolarHBondContact O-N 2.96Å
222	K	50.6	Low	42.8	Very low	122 Å²	122	121.6 Å²	121.6	53%	0.53	61%	0.614	S	S	.	*	H	α-helix	trans	-61.6	-35.7	172.1	-81.1	-179.6	-169.7	152.4	0	113.4	D219 V224 E225 Q226	D219-K222 HydrophobicContact CB-CB 4.21Å; D219-K222 HydrophobicContact CB-CD 4.35Å; D219-K222 HydrophobicContact CB-CG 4.48Å; D219-K222 PolarHBondContact O-N 3.37Å; D219-K222 PolarHBondContact OD1-N 3.39Å; D219-K222 VanDerWaalsContact OD1-N 3.09Å; D219-K222 WeakPolarHBondContact OD2-CD 3.48Å; D219-K222 WeakPolarHBondContact OD2-CE 3.3Å; D219-K222 VanDerWaalsContact OD2-CG 3.3Å; D219-K222 WeakPolarHBondContact OD2-CG 3.49Å; D219-K222 IonicContact OD2-NZ 2.74Å; D219-K222 PolarHBondContact OD2-NZ 3.13Å; K222-V224 VanDerWaalsContact C-N 3.34Å; K222-E225 PolarHBondContact O-N 3.43Å; K222-Q226 WeakPolarHBondContact O-CG 3.41Å; K222-Q226 PolarHBondContact O-N 3.14Å
223	S	40.2	Very low	42.8	Very low	70 Å²	70	124.4 Å²	124.4	49%	0.49	63%	0.627	S	S	.	*	H	α-helix	trans	-63.5	-43	176.6	-52.5	0	0	0	0	110.9	D219 V220 N221 V227	D219-S223 PolarHBondContact O-N 3.02Å; D219-S223 VanDerWaalsContact O-N 3.1Å; D219-S223 PolarHBondContact O-OG 3.01Å; V220-S223 WeakPolarHBondContact O-CB 3.38Å; V220-S223 PolarHBondContact O-N 3.34Å; N221-S223 VanDerWaalsContact C-N 3.28Å; N221-S223 PolarHBondContact O-N 3.38Å; S223-V227 WeakPolarHBondContact O-CG2 3.21Å; S223-V227 PolarHBondContact O-N 2.93Å
224	V	47.9	Very low	42.7	Very low	77 Å²	77	121.3 Å²	121.3	47%	0.467	62%	0.622	S	S	.	*	H	α-helix	trans	-66.2	-46.8	173.8	170.9	0	0	0	0	110.9	V220 N221 K222 Q226 V227 Q228	V220-V224 HydrophobicContact CG1-CG2 4.3Å; V220-V224 WeakPolarHBondContact O-CG2 3.41Å; V220-V224 PolarHBondContact O-N 2.75Å; N221-V224 PolarHBondContact O-N 3.34Å; K222-V224 VanDerWaalsContact C-N 3.34Å; V224-Q226 VanDerWaalsContact C-N 3.33Å; V224-Q226 PolarHBondContact O-N 2.77Å; V224-V227 PolarHBondContact O-N 3.35Å; V224-V227 VanDerWaalsContact O-N 3.11Å; V224-Q228 WeakPolarHBondContact O-CB 3.22Å; V224-Q228 PolarHBondContact O-N 2.92Å
225	E	49.9	Very low	42.3	Very low	116 Å²	116	120.9 Å²	120.9	54%	0.542	61%	0.61	S	S	.	*	H	α-helix	trans	-58.4	-39.9	176.9	-75.3	-173.7	137.6	0	0	112.7	N221 K222 Q228 Q229	N221-E225 WeakPolarHBondContact O-CG 3.36Å; N221-E225 PolarHBondContact O-N 2.96Å; K222-E225 PolarHBondContact O-N 3.43Å; E225-Q228 WeakPolarHBondContact O-CB 3.41Å; E225-Q228 PolarHBondContact O-N 2.91Å; E225-Q229 WeakPolarHBondContact O-CB 3.43Å; E225-Q229 WeakPolarHBondContact O-CG 3.38Å; E225-Q229 PolarHBondContact O-N 3.08Å
226	Q	47.8	Very low	43.2	Very low	124 Å²	124	117.4 Å²	117.4	58%	0.579	60%	0.597	S	S	*	*	H	α-helix	trans	-71.2	-28.8	176.6	-74.6	-168	5.7	0	0	113.6	K222 V224 R230	K222-Q226 WeakPolarHBondContact O-CG 3.41Å; K222-Q226 PolarHBondContact O-N 3.14Å; V224-Q226 VanDerWaalsContact C-N 3.33Å; V224-Q226 PolarHBondContact O-N 2.77Å; Q226-R230 WeakPolarHBondContact O-CG 3.25Å; Q226-R230 PolarHBondContact O-N 3.1Å
227	V	41.9	Very low	44.2	Very low	85 Å²	85	120.1 Å²	120.1	52%	0.515	61%	0.607	S	S	.	*	H	α-helix	trans	-73.1	-42.1	170.3	172.1	0	0	0	0	110.3	S223 V224 Q229 R230 Q231	S223-V227 WeakPolarHBondContact O-CG2 3.21Å; S223-V227 PolarHBondContact O-N 2.93Å; V224-V227 PolarHBondContact O-N 3.35Å; V224-V227 VanDerWaalsContact O-N 3.11Å; V227-Q229 PolarHBondContact O-N 3.18Å; V227-R230 PolarHBondContact O-N 3.24Å; V227-Q231 PolarHBondContact O-N 2.93Å
228	Q	42.8	Very low	45.7	Very low	136 Å²	136	119.5 Å²	119.5	64%	0.636	59%	0.594	S	S	*	*	H	α-helix	trans	-57.2	-47.6	175.4	-154.9	95.5	45.2	0	0	111	V224 E225 R230 Q231	V224-Q228 WeakPolarHBondContact O-CB 3.22Å; V224-Q228 PolarHBondContact O-N 2.92Å; E225-Q228 WeakPolarHBondContact O-CB 3.41Å; E225-Q228 PolarHBondContact O-N 2.91Å; Q228-R230 PolarHBondContact O-N 3.44Å; Q228-Q231 PolarHBondContact O-N 2.88Å
229	Q	50.7	Low	47.2	Very low	167 Å²	167	116.5 Å²	116.5	78%	0.78	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-9.8	177.5	-72.7	-177.7	6.8	0	0	114.5	E225 V227	E225-Q229 WeakPolarHBondContact O-CB 3.43Å; E225-Q229 WeakPolarHBondContact O-CG 3.38Å; E225-Q229 PolarHBondContact O-N 3.08Å; V227-Q229 PolarHBondContact O-N 3.18Å
230	R	41.6	Very low	48	Very low	205 Å²	205	117.4 Å²	117.4	77%	0.774	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-2.9	174.9	-73	-176.6	-178.6	-161.8	3.2	113.9	Q226 V227 Q228	Q226-R230 WeakPolarHBondContact O-CG 3.25Å; Q226-R230 PolarHBondContact O-N 3.1Å; V227-R230 PolarHBondContact O-N 3.24Å; Q228-R230 PolarHBondContact O-N 3.44Å
231	Q	36.8	Very low	49.5	Very low	115 Å²	115	116.5 Å²	116.5	54%	0.537	58%	0.575	S	S	.	*			trans	-121.1	71.1	179	-69.9	-164	3.7	0	0	113	V227 Q228	V227-Q231 PolarHBondContact O-N 2.93Å; Q228-Q231 PolarHBondContact O-N 2.88Å
232	Q	37.6	Very low	50.8	Low	149 Å²	149	116.6 Å²	116.6	70%	0.696	57%	0.57	S	S	*	*			trans	-156.7	80.1	160.8	-116.2	169.6	-29	0	0	111.2	E234	Q232-E234 HydrophobicContact CB-CG 4.38Å; Q232-E234 HydrophobicContact CG-CG 3.83Å; Q232-E234 PolarHBondContact NE2-OE1 3.35Å
233	Q	42.1	Very low	51.5	Low	169 Å²	169	113.5 Å²	113.5	79%	0.79	56%	0.557	S	S	*	*			trans	-98	82.1	158.4	-171.3	167.4	44.2	0	0	108.1	F235	Q233-F235 PolarHBondContact O-N 3.35Å; Q233-F235 VanDerWaalsContact O-N 3.09Å
234	E	40.1	Very low	52.9	Low	141 Å²	141	116.8 Å²	116.8	66%	0.659	56%	0.559	S	S	*	*			trans	-69.6	105.5	-176.2	-59.4	-167.9	145.8	0	0	110.6	Q232 T236	Q232-E234 HydrophobicContact CB-CG 4.38Å; Q232-E234 HydrophobicContact CG-CG 3.83Å; Q232-E234 PolarHBondContact NE2-OE1 3.35Å; E234-T236 PolarHBondContact O-N 2.95Å; E234-T236 VanDerWaalsContact O-N 3.16Å
235	F	42.4	Very low	54.2	Low	104 Å²	104	119.6 Å²	119.6	46%	0.456	57%	0.567	S	S	.	*			trans	-65.7	113.3	172.4	-80.1	-81.9	0	0	0	109.7	Q233 D239 L240	Q233-F235 PolarHBondContact O-N 3.35Å; Q233-F235 VanDerWaalsContact O-N 3.09Å; F235-D239 HydrophobicContact CD1-CB 4.16Å; F235-L240 HydrophobicContact CB-CD2 4.22Å; F235-L240 HydrophobicContact CB-CG 4.25Å
236	T	56.3	Low	55.3	Low	72 Å²	72	121 Å²	121	44%	0.442	57%	0.571	S	S	.	*			trans	-66.7	156.2	177.6	77.7	0	0	0	0	110.4	E234 A238 D239 L240	E234-T236 PolarHBondContact O-N 2.95Å; E234-T236 VanDerWaalsContact O-N 3.16Å; T236-A238 PolarHBondContact O-N 3.38Å; T236-A238 VanDerWaalsContact O-N 3.07Å; T236-A238 PolarHBondContact OG1-N 2.85Å; T236-D239 WeakPolarHBondContact CB-OD2 3.48Å; T236-D239 PolarHBondContact N-OD2 2.9Å; T236-D239 PolarHBondContact O-N 3.14Å; T236-D239 PolarHBondContact OG1-N 2.85Å; T236-D239 PolarHBondContact OG1-OD2 2.93Å; T236-L240 PolarHBondContact O-N 2.87Å; T236-L240 VanDerWaalsContact O-N 3.09Å
237	K	60.3	Low	56.2	Low	175 Å²	175	118 Å²	118	76%	0.761	56%	0.559	S	S	*	*	H	α-helix	trans	-55.7	-26.2	172.8	-171.3	172.4	-177.9	173.3	0	112.7	N241	K237-N241 WeakPolarHBondContact O-CB 3.34Å; K237-N241 PolarHBondContact O-N 2.92Å
238	A	68.9	Low	57.5	Low	66 Å²	66	118 Å²	118	55%	0.545	56%	0.555	S	S	.	*	H	α-helix	trans	-72.3	-41	173.8	0	0	0	0	0	112.2	T236 N241 K242	T236-A238 PolarHBondContact O-N 3.38Å; T236-A238 VanDerWaalsContact O-N 3.07Å; T236-A238 PolarHBondContact OG1-N 2.85Å; A238-N241 PolarHBondContact O-N 2.9Å; A238-K242 VanDerWaalsContact O-CB 3.24Å; A238-K242 WeakPolarHBondContact O-CB 3.36Å; A238-K242 PolarHBondContact O-N 3.34Å
239	D	67.2	Low	59.1	Low	63 Å²	63	114.3 Å²	114.3	34%	0.337	55%	0.548	S	S	.	.	H	α-helix	trans	-66.3	-41	177.3	-62	-61.5	0	0	0	111.9	F235 T236 K242 Q243	F235-D239 HydrophobicContact CD1-CB 4.16Å; T236-D239 WeakPolarHBondContact CB-OD2 3.48Å; T236-D239 PolarHBondContact N-OD2 2.9Å; T236-D239 PolarHBondContact O-N 3.14Å; T236-D239 PolarHBondContact OG1-N 2.85Å; T236-D239 PolarHBondContact OG1-OD2 2.93Å; D239-K242 PolarHBondContact O-N 2.91Å; D239-Q243 WeakPolarHBondContact O-CG 3.2Å; D239-Q243 PolarHBondContact O-N 2.98Å
240	L	57.5	Low	60.1	Low	87 Å²	87	108.6 Å²	108.6	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-43.4	174.8	-66.9	174.9	0	0	0	112	F235 T236 Q243 R244	F235-L240 HydrophobicContact CB-CD2 4.22Å; F235-L240 HydrophobicContact CB-CG 4.25Å; T236-L240 PolarHBondContact O-N 2.87Å; T236-L240 VanDerWaalsContact O-N 3.09Å; L240-Q243 PolarHBondContact O-N 3.25Å; L240-R244 WeakPolarHBondContact O-CB 3.36Å; L240-R244 PolarHBondContact O-N 3.19Å
241	N	70.4	Confident	61.5	Low	79 Å²	79	103.6 Å²	103.6	42%	0.422	51%	0.506	S	S	.	.	H	α-helix	trans	-62.7	-42.3	173.3	-83	-15.3	0	0	0	111.9	K237 A238 Q243 R244 E245	K237-N241 WeakPolarHBondContact O-CB 3.34Å; K237-N241 PolarHBondContact O-N 2.92Å; A238-N241 PolarHBondContact O-N 2.9Å; N241-Q243 VanDerWaalsContact C-N 3.34Å; N241-Q243 PolarHBondContact O-N 3.46Å; N241-R244 WeakPolarHBondContact O-CB 3.25Å; N241-R244 PolarHBondContact O-N 3.43Å; N241-R244 VanDerWaalsContact O-N 3.13Å; N241-E245 WeakPolarHBondContact O-CG 3.35Å; N241-E245 PolarHBondContact O-N 2.83Å
242	K	74.6	Confident	63.5	Low	127 Å²	127	103.2 Å²	103.2	55%	0.552	51%	0.512	S	S	*	.	H	α-helix	trans	-66.9	-32.4	178.2	-169.6	177.1	-174.9	178.8	0	112.8	A238 D239 K246	A238-K242 VanDerWaalsContact O-CB 3.24Å; A238-K242 WeakPolarHBondContact O-CB 3.36Å; A238-K242 PolarHBondContact O-N 3.34Å; D239-K242 PolarHBondContact O-N 2.91Å; K242-K246 WeakPolarHBondContact O-CG 3.38Å; K242-K246 PolarHBondContact O-N 2.84Å
243	Q	63.7	Low	65.1	Low	57 Å²	57	100 Å²	100	27%	0.266	50%	0.497	S	S	.	.	H	α-helix	trans	-69.7	-41.7	168.6	-73.6	-172.3	25.3	0	0	111.5	D239 L240 N241 E245 K246 L247	D239-Q243 WeakPolarHBondContact O-CG 3.2Å; D239-Q243 PolarHBondContact O-N 2.98Å; L240-Q243 PolarHBondContact O-N 3.25Å; N241-Q243 VanDerWaalsContact C-N 3.34Å; N241-Q243 PolarHBondContact O-N 3.46Å; Q243-E245 VanDerWaalsContact C-N 3.34Å; Q243-E245 PolarHBondContact O-N 3.42Å; Q243-K246 WeakPolarHBondContact O-CB 3.32Å; Q243-K246 PolarHBondContact O-N 2.94Å; Q243-L247 WeakPolarHBondContact O-CB 3.19Å; Q243-L247 PolarHBondContact O-N 2.86Å
244	R	70.4	Confident	66.4	Low	139 Å²	139	93 Å²	93	53%	0.525	47%	0.465	S	S	.	.	H	α-helix	trans	-60.1	-41.8	175	-173.4	-178.1	-179.6	-169.7	1.2	112.1	L240 N241 L247 L248	L240-R244 WeakPolarHBondContact O-CB 3.36Å; L240-R244 PolarHBondContact O-N 3.19Å; N241-R244 WeakPolarHBondContact O-CB 3.25Å; N241-R244 PolarHBondContact O-N 3.43Å; N241-R244 VanDerWaalsContact O-N 3.13Å; R244-L247 PolarHBondContact O-N 3Å; R244-L248 HydrophobicContact CG-CD1 4.21Å; R244-L248 WeakPolarHBondContact O-CB 3.35Å; R244-L248 VanDerWaalsContact O-CG 3.32Å; R244-L248 WeakPolarHBondContact O-CG 3.26Å; R244-L248 PolarHBondContact O-N 3.23Å
245	E	74.8	Confident	67.9	Low	135 Å²	135	90.7 Å²	90.7	63%	0.631	45%	0.454	S	S	*	.	H	α-helix	trans	-62.3	-45.3	174.1	-73.8	177.7	162.4	0	0	112.3	N241 Q243 L247 L248 A249	N241-E245 WeakPolarHBondContact O-CG 3.35Å; N241-E245 PolarHBondContact O-N 2.83Å; Q243-E245 VanDerWaalsContact C-N 3.34Å; Q243-E245 PolarHBondContact O-N 3.42Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 2.77Å; E245-L248 PolarHBondContact O-N 3.2Å; E245-A249 WeakPolarHBondContact O-CB 3.1Å; E245-A249 PolarHBondContact O-N 2.69Å
246	K	73.6	Confident	69.6	Low	146 Å²	146	93.1 Å²	93.1	64%	0.635	46%	0.46	S	S	*	.	H	α-helix	trans	-58.4	-42.7	173.3	-76.8	179.2	172.4	-170	0	112.4	K242 Q243 A249 K250	K242-K246 WeakPolarHBondContact O-CG 3.38Å; K242-K246 PolarHBondContact O-N 2.84Å; Q243-K246 WeakPolarHBondContact O-CB 3.32Å; Q243-K246 PolarHBondContact O-N 2.94Å; K246-A249 PolarHBondContact O-N 3.2Å; K246-K250 PolarHBondContact O-N 3.01Å
247	L	66.7	Low	70.3	Confident	60 Å²	60	90.7 Å²	90.7	31%	0.314	44%	0.444	S	S	.	.	H	α-helix	trans	-69.7	-40.4	-177.6	-164.8	155.8	0	0	0	111.1	Q243 R244 E245 K250 Q251 T389 L393	Q243-L247 WeakPolarHBondContact O-CB 3.19Å; Q243-L247 PolarHBondContact O-N 2.86Å; R244-L247 PolarHBondContact O-N 3Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 2.77Å; L247-K250 PolarHBondContact O-N 3.29Å; L247-Q251 PolarHBondContact O-N 3.47Å; L247-T389 HydrophobicContact CD2-CG2 4.19Å; L247-L393 HydrophobicContact CD2-CD1 4.27Å
248	L	69.9	Low	70.8	Confident	85 Å²	85	87 Å²	87	45%	0.445	43%	0.428	S	S	.	.	H	α-helix	trans	-63.1	-39.9	170.6	-72	168.8	0	0	0	112.2	R244 E245 K250 Q251 V252	R244-L248 HydrophobicContact CG-CD1 4.21Å; R244-L248 WeakPolarHBondContact O-CB 3.35Å; R244-L248 VanDerWaalsContact O-CG 3.32Å; R244-L248 WeakPolarHBondContact O-CG 3.26Å; R244-L248 PolarHBondContact O-N 3.23Å; E245-L248 PolarHBondContact O-N 3.2Å; L248-K250 VanDerWaalsContact C-N 3.33Å; L248-K250 PolarHBondContact O-N 2.87Å; L248-Q251 WeakPolarHBondContact O-CB 3.3Å; L248-Q251 PolarHBondContact O-N 2.96Å; L248-V252 PolarHBondContact O-N 2.75Å; L248-V252 VanDerWaalsContact O-N 3.13Å
249	A	76.1	Confident	71.2	Confident	59 Å²	59	86.7 Å²	86.7	49%	0.488	42%	0.422	S	S	.	.	H	α-helix	trans	-62.4	-39.7	174.4	0	0	0	0	0	112	E245 K246 V252 E253	E245-A249 WeakPolarHBondContact O-CB 3.1Å; E245-A249 PolarHBondContact O-N 2.69Å; K246-A249 PolarHBondContact O-N 3.2Å; A249-V252 PolarHBondContact O-N 3.49Å; A249-E253 PolarHBondContact O-N 2.86Å; A249-E253 VanDerWaalsContact O-N 3.12Å
250	K	71	Confident	71.6	Confident	47 Å²	47	86.3 Å²	86.3	20%	0.204	42%	0.417	C	S	.	.	H	α-helix	trans	-68	-30.8	173.7	-76	-71.9	175.5	-173.2	0	113.3	K246 L247 L248 E253 L254 F317 D320	K246-K250 PolarHBondContact O-N 3.01Å; L247-K250 PolarHBondContact O-N 3.29Å; L248-K250 VanDerWaalsContact C-N 3.33Å; L248-K250 PolarHBondContact O-N 2.87Å; K250-E253 WeakPolarHBondContact CD-OE2 3.48Å; K250-E253 WeakPolarHBondContact CE-OE2 3.28Å; K250-E253 IonicContact NZ-OE2 3.77Å; K250-E253 PolarHBondContact NZ-OE2 3.44Å; K250-E253 PolarHBondContact O-N 3.08Å; K250-L254 PolarHBondContact O-N 2.82Å; K250-F317 HydrophobicContact CD-CD2 4.35Å; K250-F317 HydrophobicContact CD-CE2 3.88Å; K250-D320 IonicContact NZ-OD2 2.61Å; K250-D320 PolarHBondContact NZ-OD2 3.32Å
251	Q	72.4	Confident	72.3	Confident	100 Å²	100	83 Å²	83	47%	0.467	40%	0.4	S	S	.	.	H	α-helix	trans	-65	-37.3	170.8	-171.5	-178.3	-2.9	0	0	112.3	L247 L248 E253 L254 E255	L247-Q251 PolarHBondContact O-N 3.47Å; L248-Q251 WeakPolarHBondContact O-CB 3.3Å; L248-Q251 PolarHBondContact O-N 2.96Å; Q251-E253 VanDerWaalsContact C-N 3.34Å; Q251-L254 WeakPolarHBondContact O-CB 3.3Å; Q251-L254 PolarHBondContact O-N 2.96Å; Q251-E255 PolarHBondContact O-N 2.82Å
252	V	77	Confident	72.4	Confident	108 Å²	108	85.3 Å²	85.3	66%	0.655	41%	0.408	S	S	*	.	H	α-helix	trans	-67.8	-36	173.9	176.2	0	0	0	0	111.4	L248 A249 R256	L248-V252 PolarHBondContact O-N 2.75Å; L248-V252 VanDerWaalsContact O-N 3.13Å; A249-V252 PolarHBondContact O-N 3.49Å; V252-R256 PolarHBondContact O-N 3.42Å; V252-R256 VanDerWaalsContact O-N 3.11Å
253	E	71.7	Confident	72.4	Confident	82 Å²	82	82.5 Å²	82.5	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-68.4	-35.7	174.9	-171.8	164.8	-133	0	0	112.7	A249 K250 Q251 R256 L257 F317	A249-E253 PolarHBondContact O-N 2.86Å; A249-E253 VanDerWaalsContact O-N 3.12Å; K250-E253 WeakPolarHBondContact CD-OE2 3.48Å; K250-E253 WeakPolarHBondContact CE-OE2 3.28Å; K250-E253 IonicContact NZ-OE2 3.77Å; K250-E253 PolarHBondContact NZ-OE2 3.44Å; K250-E253 PolarHBondContact O-N 3.08Å; Q251-E253 VanDerWaalsContact C-N 3.34Å; E253-R256 PolarHBondContact O-N 3.46Å; E253-L257 HydrophobicContact CG-CD1 4.49Å; E253-L257 PolarHBondContact O-N 3.16Å; E253-F317 HydrophobicContact CB-CE2 4.02Å; E253-F317 HydrophobicContact CG-CD2 4.05Å; E253-F317 HydrophobicContact CG-CE2 3.98Å
254	L	68.9	Low	72.6	Confident	22 Å²	22	80.3 Å²	80.3	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-57.9	-52.1	170.9	-173.7	87.3	0	0	0	111.8	K250 Q251 R256 L257 K258 F317 L400	K250-L254 PolarHBondContact O-N 2.82Å; Q251-L254 WeakPolarHBondContact O-CB 3.3Å; Q251-L254 PolarHBondContact O-N 2.96Å; L254-R256 VanDerWaalsContact C-N 3.27Å; L254-R256 PolarHBondContact O-N 3.37Å; L254-L257 WeakPolarHBondContact O-CB 3.46Å; L254-L257 PolarHBondContact O-N 2.84Å; L254-L257 VanDerWaalsContact O-N 3.1Å; L254-K258 WeakPolarHBondContact O-CB 3.22Å; L254-K258 PolarHBondContact O-N 3.49Å; L254-F317 HydrophobicContact CB-CE1 4.4Å; L254-F317 HydrophobicContact CB-CZ 3.85Å; L254-F317 HydrophobicContact CD1-CE1 3.52Å; L254-F317 HydrophobicContact CD1-CZ 3.85Å; L254-F317 HydrophobicContact CG-CZ 4.5Å; L254-L400 HydrophobicContact CD1-CD1 3.94Å
255	E	73	Confident	72.6	Confident	91 Å²	91	79 Å²	79	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-64.2	-32.6	-180	-72.7	-65.9	164.8	0	0	111.9	Q251 K258 S259	Q251-E255 PolarHBondContact O-N 2.82Å; E255-K258 IonicContact OE1-NZ 2.67Å; E255-K258 PolarHBondContact OE1-NZ 2.68Å; E255-K258 WeakPolarHBondContact OE2-CD 3.38Å; E255-K258 WeakPolarHBondContact OE2-CE 3.41Å; E255-K258 IonicContact OE2-NZ 3.34Å; E255-K258 PolarHBondContact OE2-NZ 2.97Å; E255-S259 PolarHBondContact O-N 2.85Å
256	R	77.4	Confident	72.4	Confident	155 Å²	155	77.6 Å²	77.6	59%	0.585	39%	0.387	S	S	*	.	H	α-helix	trans	-66.2	-39.9	170.7	172.8	176.5	165.8	76.8	-3.6	112.9	V252 E253 L254 S259 K260	V252-R256 PolarHBondContact O-N 3.42Å; V252-R256 VanDerWaalsContact O-N 3.11Å; E253-R256 PolarHBondContact O-N 3.46Å; L254-R256 VanDerWaalsContact C-N 3.27Å; L254-R256 PolarHBondContact O-N 3.37Å; R256-S259 PolarHBondContact O-OG 3.07Å; R256-S259 VanDerWaalsContact O-OG 3.08Å; R256-K260 WeakPolarHBondContact O-CG 3.38Å; R256-K260 PolarHBondContact O-N 2.77Å
257	L	71.3	Confident	72	Confident	21 Å²	21	75 Å²	75	11%	0.11	38%	0.38	C	S	.	.	H	α-helix	trans	-66.5	-42.8	175.2	-80.7	162.9	0	0	0	111.4	E253 L254 K260 L261 E313 F317	E253-L257 HydrophobicContact CG-CD1 4.49Å; E253-L257 PolarHBondContact O-N 3.16Å; L254-L257 WeakPolarHBondContact O-CB 3.46Å; L254-L257 PolarHBondContact O-N 2.84Å; L254-L257 VanDerWaalsContact O-N 3.1Å; L257-K260 WeakPolarHBondContact O-CB 3.49Å; L257-K260 PolarHBondContact O-N 3.37Å; L257-L261 PolarHBondContact O-N 3.28Å; L257-E313 HydrophobicContact CD2-CB 3.84Å; L257-E313 WeakPolarHBondContact CD2-OE2 3.3Å; L257-F317 HydrophobicContact CD1-CB 3.85Å; L257-F317 HydrophobicContact CD1-CD1 4.07Å; L257-F317 HydrophobicContact CD1-CD2 3.69Å; L257-F317 HydrophobicContact CD1-CE2 4.25Å; L257-F317 HydrophobicContact CD1-CG 3.59Å
258	K	71.3	Confident	71.7	Confident	98 Å²	98	74.6 Å²	74.6	43%	0.426	38%	0.381	S	S	.	.	H	α-helix	trans	-59.2	-44.9	174.9	178.6	172.6	152.7	-152	0	111.9	L254 E255 K260 L261 E262	L254-K258 WeakPolarHBondContact O-CB 3.22Å; L254-K258 PolarHBondContact O-N 3.49Å; E255-K258 IonicContact OE1-NZ 2.67Å; E255-K258 PolarHBondContact OE1-NZ 2.68Å; E255-K258 WeakPolarHBondContact OE2-CD 3.38Å; E255-K258 WeakPolarHBondContact OE2-CE 3.41Å; E255-K258 IonicContact OE2-NZ 3.34Å; E255-K258 PolarHBondContact OE2-NZ 2.97Å; K258-K260 PolarHBondContact O-N 2.86Å; K258-L261 PolarHBondContact O-N 2.88Å; K258-E262 WeakPolarHBondContact O-CB 3.3Å; K258-E262 PolarHBondContact O-N 3.02Å
259	S	76.7	Confident	71.4	Confident	60 Å²	60	73.6 Å²	73.6	42%	0.42	38%	0.381	S	S	.	.	H	α-helix	trans	-66.8	-34.4	176.8	80.2	0	0	0	0	113.4	E255 R256 S263	E255-S259 PolarHBondContact O-N 2.85Å; R256-S259 PolarHBondContact O-OG 3.07Å; R256-S259 VanDerWaalsContact O-OG 3.08Å; S259-S263 WeakPolarHBondContact O-CB 3.32Å; S259-S263 PolarHBondContact O-N 2.7Å; S259-S263 PolarHBondContact O-OG 2.67Å
260	K	76.1	Confident	70.5	Confident	55 Å²	55	76.5 Å²	76.5	24%	0.239	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-44.2	170.8	-76.2	-176.7	176.6	-175.5	0	111.9	R256 L257 K258 S263 F264 L310 E313	R256-K260 WeakPolarHBondContact O-CG 3.38Å; R256-K260 PolarHBondContact O-N 2.77Å; L257-K260 WeakPolarHBondContact O-CB 3.49Å; L257-K260 PolarHBondContact O-N 3.37Å; K258-K260 PolarHBondContact O-N 2.86Å; K260-S263 WeakPolarHBondContact O-CB 3.45Å; K260-S263 PolarHBondContact O-N 3.37Å; K260-F264 PolarHBondContact O-N 3.28Å; K260-L310 HydrophobicContact CB-CD2 3.95Å; K260-L310 HydrophobicContact CD-CD2 4.23Å; K260-E313 IonicContact NZ-OE1 2.97Å; K260-E313 PolarHBondContact NZ-OE1 3.15Å; K260-E313 IonicContact NZ-OE2 3.56Å; K260-E313 PolarHBondContact NZ-OE2 3.45Å
261	L	70.6	Confident	69.6	Low	17 Å²	17	76.5 Å²	76.5	9%	0.089	39%	0.391	C	S	.	.	H	α-helix	trans	-69.2	-35.5	-179.1	-176.1	57.6	0	0	0	112	L257 K258 F264 K265 L310 M403 L407	L257-L261 PolarHBondContact O-N 3.28Å; K258-L261 PolarHBondContact O-N 2.88Å; L261-F264 HydrophobicContact CD1-CD1 4.39Å; L261-F264 PolarHBondContact O-N 3.13Å; L261-K265 WeakPolarHBondContact O-CG 3.43Å; L261-K265 PolarHBondContact O-N 3.01Å; L261-L310 HydrophobicContact CD1-CD1 4.22Å; L261-M403 HydrophobicContact CD2-CG 4.44Å; L261-M403 HydrophobicContact CD2-SD 3.5Å; L261-M403 VanDerWaalsContact CD2-SD 3.5Å; L261-L407 HydrophobicContact CD1-CD1 4.26Å
262	E	73.1	Confident	68.3	Low	127 Å²	127	75.8 Å²	75.8	59%	0.593	40%	0.397	S	S	*	.	H	α-helix	trans	-67.1	-40.1	172	-167.9	153.8	-132.9	0	0	111.7	K258 F264 K265 M266	K258-E262 WeakPolarHBondContact O-CB 3.3Å; K258-E262 PolarHBondContact O-N 3.02Å; E262-F264 VanDerWaalsContact C-N 3.32Å; E262-F264 PolarHBondContact O-N 2.91Å; E262-K265 WeakPolarHBondContact O-CB 3.47Å; E262-K265 PolarHBondContact O-N 3.13Å; E262-M266 WeakPolarHBondContact O-CG 3.41Å; E262-M266 PolarHBondContact O-N 3.49Å
263	S	74	Confident	66.5	Low	69 Å²	69	72.6 Å²	72.6	48%	0.483	39%	0.385	S	S	.	.	H	α-helix	trans	-60.5	-38.9	170.3	-55.1	0	0	0	0	112.4	S259 K260 M266 L267	S259-S263 WeakPolarHBondContact O-CB 3.32Å; S259-S263 PolarHBondContact O-N 2.7Å; S259-S263 PolarHBondContact O-OG 2.67Å; K260-S263 WeakPolarHBondContact O-CB 3.45Å; K260-S263 PolarHBondContact O-N 3.37Å; S263-M266 WeakPolarHBondContact O-CB 3.35Å; S263-M266 PolarHBondContact O-N 3.49Å; S263-L267 WeakPolarHBondContact O-CG 3.45Å; S263-L267 PolarHBondContact O-N 3.32Å
264	F	69.3	Low	65	Low	11 Å²	11	72.3 Å²	72.3	5%	0.048	40%	0.398	C	S	.	.	H	α-helix	trans	-68.1	-38.4	174.8	-175.7	-113.8	0	0	0	112.5	K260 L261 E262 M266 L267 C268 H306 M307 L310	K260-F264 PolarHBondContact O-N 3.28Å; L261-F264 HydrophobicContact CD1-CD1 4.39Å; L261-F264 PolarHBondContact O-N 3.13Å; E262-F264 VanDerWaalsContact C-N 3.32Å; E262-F264 PolarHBondContact O-N 2.91Å; F264-M266 VanDerWaalsContact C-N 3.29Å; F264-M266 PolarHBondContact O-N 2.99Å; F264-L267 PolarHBondContact O-N 3.35Å; F264-C268 PolarHBondContact O-N 2.84Å; F264-C268 PolarHBondContact O-SG 3.42Å; F264-C268 VanDerWaalsContact O-SG 3.41Å; F264-H306 AromaticContact CD2-CE1 3.69Å; F264-H306 AromaticContact CD2-ND1 3.17Å; F264-H306 WeakPolarHBondContact CD2-ND1 3.47Å; F264-H306 HydrophobicContact CE2-CB 4.17Å; F264-H306 AromaticContact CE2-ND1 3.57Å; F264-H306 AromaticContact CG-ND1 3.89Å; F264-M307 HydrophobicContact CE1-CB 4.45Å; F264-M307 HydrophobicContact CE1-CE 4.49Å; F264-M307 HydrophobicContact CE1-CG 4.3Å; F264-M307 HydrophobicContact CZ-CB 4.03Å; F264-M307 HydrophobicContact CZ-CE 4.29Å; F264-M307 HydrophobicContact CZ-CG 4.36Å; F264-L310 HydrophobicContact CB-CD1 3.87Å; F264-L310 HydrophobicContact CD1-CD1 3.95Å; F264-L310 HydrophobicContact CD2-CD1 4.39Å; F264-L310 HydrophobicContact CG-CD1 3.82Å
265	K	70.9	Confident	63.6	Low	111 Å²	111	76.5 Å²	76.5	48%	0.483	42%	0.418	S	S	.	.	H	α-helix	trans	-59.6	-39.7	171.2	-73.2	175.1	-177.3	176.6	0	111.6	L261 E262 S269 M403	L261-K265 WeakPolarHBondContact O-CG 3.43Å; L261-K265 PolarHBondContact O-N 3.01Å; E262-K265 WeakPolarHBondContact O-CB 3.47Å; E262-K265 PolarHBondContact O-N 3.13Å; K265-S269 PolarHBondContact O-N 2.88Å; K265-S269 VanDerWaalsContact O-N 3.09Å; K265-S269 PolarHBondContact O-OG 3.45Å; K265-S269 VanDerWaalsContact O-OG 3.06Å; K265-M403 PolarHBondContact NZ-SD 3.41Å
266	M	70.1	Confident	62	Low	105 Å²	105	75.1 Å²	75.1	52%	0.517	42%	0.422	S	S	.	.	H	α-helix	trans	-66.2	-42.8	174.1	-68.1	-59.3	-62.4	0	0	112.9	E262 S263 F264 C268 S269 Q270	E262-M266 WeakPolarHBondContact O-CG 3.41Å; E262-M266 PolarHBondContact O-N 3.49Å; S263-M266 WeakPolarHBondContact O-CB 3.35Å; S263-M266 PolarHBondContact O-N 3.49Å; F264-M266 VanDerWaalsContact C-N 3.29Å; F264-M266 PolarHBondContact O-N 2.99Å; M266-C268 VanDerWaalsContact C-N 3.34Å; M266-C268 PolarHBondContact O-N 3.37Å; M266-S269 PolarHBondContact O-N 2.92Å; M266-S269 PolarHBondContact O-OG 2.83Å; M266-Q270 WeakPolarHBondContact O-CB 3.48Å; M266-Q270 VanDerWaalsContact O-CG 3.26Å; M266-Q270 WeakPolarHBondContact O-CG 3.45Å; M266-Q270 PolarHBondContact O-N 3.38Å
267	L	64.9	Low	60.2	Low	93 Å²	93	74.7 Å²	74.7	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-40.3	175.5	-75.5	165.6	0	0	0	112.2	S263 F264	S263-L267 WeakPolarHBondContact O-CG 3.45Å; S263-L267 PolarHBondContact O-N 3.32Å; F264-L267 PolarHBondContact O-N 3.35Å
268	C	60.7	Low	58.9	Low	51 Å²	51	81.7 Å²	81.7	35%	0.345	46%	0.463	S	S	.	.	H	α-helix	trans	-64.4	-43.8	176.1	-73.4	0	0	0	0	112.2	F264 M266 S271	F264-C268 PolarHBondContact O-N 2.84Å; F264-C268 PolarHBondContact O-SG 3.42Å; F264-C268 VanDerWaalsContact O-SG 3.41Å; M266-C268 VanDerWaalsContact C-N 3.34Å; M266-C268 PolarHBondContact O-N 3.37Å; C268-S271 PolarHBondContact O-OG 3.27Å
269	S	64	Low	57.4	Low	64 Å²	64	81.6 Å²	81.6	45%	0.448	48%	0.475	S	S	.	.	H	α-helix	trans	-77.2	-27.2	-179	58.7	0	0	0	0	114.4	K265 M266 S271 S272	K265-S269 PolarHBondContact O-N 2.88Å; K265-S269 VanDerWaalsContact O-N 3.09Å; K265-S269 PolarHBondContact O-OG 3.45Å; K265-S269 VanDerWaalsContact O-OG 3.06Å; M266-S269 PolarHBondContact O-N 2.92Å; M266-S269 PolarHBondContact O-OG 2.83Å; S269-S271 VanDerWaalsContact C-N 3.34Å; S269-S271 PolarHBondContact O-N 3.03Å; S269-S272 PolarHBondContact O-N 2.83Å; S269-S272 PolarHBondContact O-OG 3.43Å
270	Q	56.5	Low	55.6	Low	120 Å²	120	85.8 Å²	85.8	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-62.4	-39.5	173.7	-78.9	173.9	10.3	0	0	112.5	M266 S272 G273	M266-Q270 WeakPolarHBondContact O-CB 3.48Å; M266-Q270 VanDerWaalsContact O-CG 3.26Å; M266-Q270 WeakPolarHBondContact O-CG 3.45Å; M266-Q270 PolarHBondContact O-N 3.38Å; Q270-S272 PolarHBondContact O-N 2.75Å; Q270-S272 VanDerWaalsContact O-N 3.12Å; Q270-G273 PolarHBondContact O-N 3.47Å
271	S	50.9	Low	53.8	Low	47 Å²	47	86.3 Å²	86.3	33%	0.329	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.3	-176.9	64.5	0	0	0	0	115.5	C268 S269 K303	C268-S271 PolarHBondContact O-OG 3.27Å; S269-S271 VanDerWaalsContact C-N 3.34Å; S269-S271 PolarHBondContact O-N 3.03Å; S271-K303 PolarHBondContact OG-NZ 2.97Å
272	S	46.6	Very low	52.3	Low	84 Å²	84	93.5 Å²	93.5	59%	0.587	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-17.4	172.2	29.4	0	0	0	0	114.3	S269 Q270	S269-S272 PolarHBondContact O-N 2.83Å; S269-S272 PolarHBondContact O-OG 3.43Å; Q270-S272 PolarHBondContact O-N 2.75Å; Q270-S272 VanDerWaalsContact O-N 3.12Å
273	G	39	Very low	50.4	Low	41 Å²	41	90.8 Å²	90.8	42%	0.423	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.3	-50.5	-179	0	0	0	0	0	113.2	Q270 M275 A276	Q270-G273 PolarHBondContact O-N 3.47Å; G273-M275 PolarHBondContact O-N 3.24Å; G273-A276 PolarHBondContact O-N 2.92Å; G273-A276 VanDerWaalsContact O-N 3.09Å
274	A	39.4	Very low	48.9	Very low	77 Å²	77	92.9 Å²	92.9	64%	0.636	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-18.8	-171	0	0	0	0	0	115.3
275	M	40.7	Very low	47.2	Very low	110 Å²	110	95.4 Å²	95.4	54%	0.542	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	-12.6	179.4	-71.3	-85	179	0	0	113.7	G273 F292	G273-M275 PolarHBondContact O-N 3.24Å; M275-F292 HydrophobicContact CE-CE2 4.12Å; M275-F292 HydrophobicContact CE-CZ 4.15Å; M275-F292 HydrophobicContact SD-CZ 4.47Å
276	A	39.1	Very low	45.9	Very low	62 Å²	62	98.3 Å²	98.3	51%	0.512	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.5	-31.5	-174.8	0	0	0	0	0	113.4	G273 Q278	G273-A276 PolarHBondContact O-N 2.92Å; G273-A276 VanDerWaalsContact O-N 3.09Å; A276-Q278 VanDerWaalsContact C-N 3.29Å; A276-Q278 PolarHBondContact O-N 2.98Å
277	D	39.4	Very low	44.7	Very low	146 Å²	146	98 Å²	98	78%	0.781	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-2.7	-174.1	-72.7	-32.8	0	0	0	114.3
278	Q	44.5	Very low	43.8	Very low	168 Å²	168	99.2 Å²	99.2	79%	0.785	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-0	178.8	-68.8	-171	-10.6	0	0	114.4	A276 N280	A276-Q278 VanDerWaalsContact C-N 3.29Å; A276-Q278 PolarHBondContact O-N 2.98Å; Q278-N280 PolarHBondContact O-N 2.89Å
279	S	39.8	Very low	43.6	Very low	95 Å²	95	103.3 Å²	103.3	66%	0.664	65%	0.65	S	S	*	*	S	Bend	trans	-84.9	18.3	-178.8	80.2	0	0	0	0	114.8
280	N	38.8	Very low	43.3	Very low	148 Å²	148	107.8 Å²	107.8	79%	0.791	66%	0.664	S	S	*	*	S	Bend	trans	-136.8	80.3	-174.1	-71.7	-46.6	0	0	0	111.2	Q278	Q278-N280 PolarHBondContact O-N 2.89Å
281	G	37.6	Very low	44	Very low	67 Å²	67	108.8 Å²	108.8	69%	0.691	67%	0.668	S	S	*	*	S	Bend	trans	148.8	156.2	179.3	0	0	0	0	0	111.3	G283	G281-G283 PolarHBondContact O-N 3.19Å
282	D	39.5	Very low	44.7	Very low	167 Å²	167	110.5 Å²	110.5	89%	0.893	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-53.1	130	-173	-61.6	-70.9	0	0	0	113.5
283	G	31.9	Very low	45.6	Very low	71 Å²	71	108.2 Å²	108.2	73%	0.732	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-80	126.1	173.1	0	0	0	0	0	110.8	G281	G281-G283 PolarHBondContact O-N 3.19Å
284	P	42.6	Very low	47.2	Very low	112 Å²	112	110.5 Å²	110.5	73%	0.727	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-66.6	144.5	159.6	30.7	-32.8	0	0	0	109.3
285	G	35.4	Very low	48.8	Very low	64 Å²	64	113.3 Å²	113.3	66%	0.66	65%	0.652	S	S	*	*	S	Bend	trans	-71.5	175.9	165.2	0	0	0	0	0	111.7	V287	G285-V287 VanDerWaalsContact C-N 3.32Å; G285-V287 PolarHBondContact O-N 2.85Å
286	D	42	Very low	50.1	Low	173 Å²	173	114.5 Å²	114.5	93%	0.925	65%	0.65	S	S	*	*			trans	53.4	39.5	164	-57.9	-1.6	0	0	0	116.1
287	V	46.6	Very low	51.5	Low	98 Å²	98	114 Å²	114	59%	0.594	64%	0.639	S	S	*	*			trans	-79.8	115.3	144.8	-178.8	0	0	0	0	106.5	G285 D289	G285-V287 VanDerWaalsContact C-N 3.32Å; G285-V287 PolarHBondContact O-N 2.85Å; V287-D289 PolarHBondContact O-N 3.08Å; V287-D289 VanDerWaalsContact O-N 3.1Å
288	D	44.2	Very low	53.2	Low	118 Å²	118	110.6 Å²	110.6	63%	0.631	62%	0.621	S	S	*	*			trans	-53.5	116.5	-179	-87.6	-52	0	0	0	111.1	E290 E291 F292	D288-E290 PolarHBondContact O-N 2.67Å; D288-E290 VanDerWaalsContact O-N 3.12Å; D288-E291 HydrophobicContact CB-CB 4.22Å; D288-E291 PolarHBondContact O-N 2.62Å; D288-F292 PolarHBondContact O-N 3.29Å; D288-F292 VanDerWaalsContact O-N 3.16Å
289	D	57.4	Low	54.5	Low	137 Å²	137	106.3 Å²	106.3	73%	0.733	60%	0.603	S	S	*	*	H	α-helix	trans	-52.8	-35.1	175.5	-87.8	-45.1	0	0	0	110.7	V287 V293	V287-D289 PolarHBondContact O-N 3.08Å; V287-D289 VanDerWaalsContact O-N 3.1Å; D289-V293 WeakPolarHBondContact O-CB 3.36Å; D289-V293 WeakPolarHBondContact O-CG2 3.38Å; D289-V293 PolarHBondContact O-N 2.98Å
290	E	57.8	Low	55.7	Low	158 Å²	158	105.9 Å²	105.9	74%	0.738	59%	0.592	S	S	*	*	H	α-helix	trans	-59.3	-45.8	172.8	-77.5	-86.9	139	0	0	112.8	D288 Q294	D288-E290 PolarHBondContact O-N 2.67Å; D288-E290 VanDerWaalsContact O-N 3.12Å; E290-Q294 WeakPolarHBondContact O-CB 3.43Å; E290-Q294 PolarHBondContact O-N 3.42Å
291	E	71.1	Confident	57.3	Low	141 Å²	141	104.8 Å²	104.8	66%	0.659	58%	0.577	S	S	*	*	H	α-helix	trans	-71.9	-42.9	-178	-174.7	163.7	-133.5	0	0	111.2	D288 V293 Q294 E295	D288-E291 HydrophobicContact CB-CB 4.22Å; D288-E291 PolarHBondContact O-N 2.62Å; E291-V293 PolarHBondContact O-N 3.43Å; E291-Q294 PolarHBondContact O-N 3.08Å; E291-E295 PolarHBondContact O-N 2.93Å
292	F	65.9	Low	59.1	Low	84 Å²	84	107.8 Å²	107.8	37%	0.368	57%	0.573	S	S	.	*	H	α-helix	trans	-63.5	-41.9	175.6	180	-104.8	0	0	0	112.1	M275 D288 R296	M275-F292 HydrophobicContact CE-CE2 4.12Å; M275-F292 HydrophobicContact CE-CZ 4.15Å; M275-F292 HydrophobicContact SD-CZ 4.47Å; D288-F292 PolarHBondContact O-N 3.29Å; D288-F292 VanDerWaalsContact O-N 3.16Å; F292-R296 VanDerWaalsContact O-CB 3.23Å; F292-R296 WeakPolarHBondContact O-CB 3.37Å; F292-R296 PolarHBondContact O-N 2.67Å
293	V	65.4	Low	60.5	Low	35 Å²	35	102.3 Å²	102.3	21%	0.212	54%	0.542	C	S	.	.	H	α-helix	trans	-65.6	-40.1	174	168.9	0	0	0	0	110.9	D289 E291 R296 L297	D289-V293 WeakPolarHBondContact O-CB 3.36Å; D289-V293 WeakPolarHBondContact O-CG2 3.38Å; D289-V293 PolarHBondContact O-N 2.98Å; E291-V293 PolarHBondContact O-N 3.43Å; V293-R296 PolarHBondContact O-N 2.99Å; V293-L297 HydrophobicContact CG1-CD1 3.81Å; V293-L297 HydrophobicContact CG1-CG 4.3Å; V293-L297 VanDerWaalsContact O-CB 3.31Å; V293-L297 WeakPolarHBondContact O-CB 3.41Å; V293-L297 VanDerWaalsContact O-CG 3.25Å; V293-L297 WeakPolarHBondContact O-CG 3.5Å; V293-L297 PolarHBondContact O-N 2.89Å
294	Q	72.8	Confident	62.4	Low	89 Å²	89	102.4 Å²	102.4	42%	0.416	52%	0.522	S	S	.	.	H	α-helix	trans	-69.2	-41.4	178.9	-168.3	75.8	-88.3	0	0	112.4	E290 E291 R296 L297 N298	E290-Q294 WeakPolarHBondContact O-CB 3.43Å; E290-Q294 PolarHBondContact O-N 3.42Å; E291-Q294 PolarHBondContact O-N 3.08Å; Q294-R296 VanDerWaalsContact C-N 3.35Å; Q294-L297 PolarHBondContact O-N 2.95Å; Q294-N298 WeakPolarHBondContact O-CB 3.32Å; Q294-N298 PolarHBondContact O-N 3.26Å; Q294-N298 PolarHBondContact O-ND2 3.12Å; Q294-N298 VanDerWaalsContact O-ND2 3.15Å
295	E	72.7	Confident	63.9	Low	136 Å²	136	102.6 Å²	102.6	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-61.1	-45.7	173	-172.8	-178.8	-149.1	0	0	110.4	E291 L297 N298 L299	E291-E295 PolarHBondContact O-N 2.93Å; E295-L297 PolarHBondContact O-N 3.48Å; E295-N298 WeakPolarHBondContact O-CB 3.37Å; E295-N298 PolarHBondContact O-N 2.87Å; E295-N298 VanDerWaalsContact O-N 3.15Å; E295-L299 WeakPolarHBondContact O-CB 3.46Å; E295-L299 PolarHBondContact O-N 3.05Å
296	R	68	Low	65.6	Low	135 Å²	135	103.5 Å²	103.5	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-37.6	178	-167.3	168	-178.3	145.6	-3.1	112.5	F292 V293 Q294 L300	F292-R296 VanDerWaalsContact O-CB 3.23Å; F292-R296 WeakPolarHBondContact O-CB 3.37Å; F292-R296 PolarHBondContact O-N 2.67Å; V293-R296 PolarHBondContact O-N 2.99Å; Q294-R296 VanDerWaalsContact C-N 3.35Å; R296-L300 WeakPolarHBondContact O-CB 3.49Å; R296-L300 VanDerWaalsContact O-CG 3.28Å; R296-L300 WeakPolarHBondContact O-CG 3.36Å; R296-L300 PolarHBondContact O-N 3.18Å
297	L	68	Low	66.8	Low	52 Å²	52	96.5 Å²	96.5	27%	0.272	46%	0.462	S	S	.	.	H	α-helix	trans	-67.1	-37.7	171.5	-78.1	170.2	0	0	0	112.2	V293 Q294 E295 L300 R301	V293-L297 HydrophobicContact CG1-CD1 3.81Å; V293-L297 HydrophobicContact CG1-CG 4.3Å; V293-L297 VanDerWaalsContact O-CB 3.31Å; V293-L297 WeakPolarHBondContact O-CB 3.41Å; V293-L297 VanDerWaalsContact O-CG 3.25Å; V293-L297 WeakPolarHBondContact O-CG 3.5Å; V293-L297 PolarHBondContact O-N 2.89Å; Q294-L297 PolarHBondContact O-N 2.95Å; E295-L297 PolarHBondContact O-N 3.48Å; L297-L300 PolarHBondContact O-N 3.43Å; L297-R301 VanDerWaalsContact O-CB 3.28Å; L297-R301 WeakPolarHBondContact O-CB 3.28Å; L297-R301 PolarHBondContact O-N 3.19Å
298	N	75.5	Confident	67.9	Low	74 Å²	74	95.6 Å²	95.6	40%	0.396	45%	0.451	S	S	.	.	H	α-helix	trans	-65.4	-44.9	174.6	-72.8	-30.2	0	0	0	111.1	Q294 E295 L300 R301 E302	Q294-N298 WeakPolarHBondContact O-CB 3.32Å; Q294-N298 PolarHBondContact O-N 3.26Å; Q294-N298 PolarHBondContact O-ND2 3.12Å; Q294-N298 VanDerWaalsContact O-ND2 3.15Å; E295-N298 WeakPolarHBondContact O-CB 3.37Å; E295-N298 PolarHBondContact O-N 2.87Å; E295-N298 VanDerWaalsContact O-N 3.15Å; N298-L300 VanDerWaalsContact C-N 3.35Å; N298-L300 PolarHBondContact O-N 3.01Å; N298-R301 WeakPolarHBondContact O-CB 3.29Å; N298-R301 PolarHBondContact O-N 2.97Å; N298-R301 VanDerWaalsContact O-N 3.16Å; N298-R301 PolarHBondContact OD1-NH1 3.09Å; N298-E302 PolarHBondContact O-N 3.48Å
299	L	72.8	Confident	69.5	Low	79 Å²	79	91.1 Å²	91.1	41%	0.414	43%	0.433	S	S	.	.	H	α-helix	trans	-62.4	-39.8	175.8	-170.2	75.7	0	0	0	112	E295 K303	E295-L299 WeakPolarHBondContact O-CB 3.46Å; E295-L299 PolarHBondContact O-N 3.05Å; L299-K303 WeakPolarHBondContact O-CB 3.26Å; L299-K303 VanDerWaalsContact O-CG 3.31Å; L299-K303 WeakPolarHBondContact O-CG 3.34Å; L299-K303 PolarHBondContact O-N 3.27Å
300	L	64.1	Low	70.1	Confident	85 Å²	85	85.2 Å²	85.2	45%	0.445	40%	0.402	S	S	.	.	H	α-helix	trans	-66.4	-39.9	173	-74.1	169.2	0	0	0	111.8	R296 L297 N298 K303 K304	R296-L300 WeakPolarHBondContact O-CB 3.49Å; R296-L300 VanDerWaalsContact O-CG 3.28Å; R296-L300 WeakPolarHBondContact O-CG 3.36Å; R296-L300 PolarHBondContact O-N 3.18Å; L297-L300 PolarHBondContact O-N 3.43Å; N298-L300 VanDerWaalsContact C-N 3.35Å; N298-L300 PolarHBondContact O-N 3.01Å; L300-K303 PolarHBondContact O-N 2.97Å; L300-K304 WeakPolarHBondContact O-CB 3.34Å; L300-K304 PolarHBondContact O-N 3.09Å
301	R	72.4	Confident	70.7	Confident	125 Å²	125	80.2 Å²	80.2	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-40.9	176.3	-167.8	-176.7	-61.9	127.7	4.2	111.8	L297 N298 K304 Q305	L297-R301 VanDerWaalsContact O-CB 3.28Å; L297-R301 WeakPolarHBondContact O-CB 3.28Å; L297-R301 PolarHBondContact O-N 3.19Å; N298-R301 WeakPolarHBondContact O-CB 3.29Å; N298-R301 PolarHBondContact O-N 2.97Å; N298-R301 VanDerWaalsContact O-N 3.16Å; N298-R301 PolarHBondContact OD1-NH1 3.09Å; R301-K304 PolarHBondContact O-N 3.45Å; R301-Q305 WeakPolarHBondContact O-CB 3.34Å; R301-Q305 VanDerWaalsContact O-CG 3.32Å; R301-Q305 WeakPolarHBondContact O-CG 3.48Å; R301-Q305 PolarHBondContact O-N 3.31Å
302	E	74.5	Confident	70.9	Confident	130 Å²	130	80.7 Å²	80.7	61%	0.607	38%	0.376	S	S	*	.	H	α-helix	trans	-64.9	-47	174.5	-174.5	178.2	-166.9	0	0	111.4	N298 K304 Q305 H306	N298-E302 PolarHBondContact O-N 3.48Å; E302-K304 VanDerWaalsContact C-N 3.31Å; E302-K304 PolarHBondContact O-N 2.94Å; E302-Q305 PolarHBondContact O-N 3.32Å; E302-H306 WeakPolarHBondContact O-CB 3.45Å; E302-H306 PolarHBondContact O-N 3.04Å
303	K	70.1	Confident	71.4	Confident	53 Å²	53	80.2 Å²	80.2	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-57.7	-41.7	174.1	-76.6	172.3	174.7	179.6	0	112.3	S271 L299 L300 H306 M307	S271-K303 PolarHBondContact OG-NZ 2.97Å; L299-K303 WeakPolarHBondContact O-CB 3.26Å; L299-K303 VanDerWaalsContact O-CG 3.31Å; L299-K303 WeakPolarHBondContact O-CG 3.34Å; L299-K303 PolarHBondContact O-N 3.27Å; L300-K303 PolarHBondContact O-N 2.97Å; K303-H306 PolarHBondContact O-N 3.33Å; K303-M307 WeakPolarHBondContact O-CB 3.24Å; K303-M307 PolarHBondContact O-N 2.75Å
304	K	71.1	Confident	71.5	Confident	72 Å²	72	80 Å²	80	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-47.1	174.6	179.2	160.8	178.2	166.3	0	111.6	L300 R301 E302 H306 M307 E308 E415	L300-K304 WeakPolarHBondContact O-CB 3.34Å; L300-K304 PolarHBondContact O-N 3.09Å; R301-K304 PolarHBondContact O-N 3.45Å; E302-K304 VanDerWaalsContact C-N 3.31Å; E302-K304 PolarHBondContact O-N 2.94Å; K304-H306 VanDerWaalsContact C-N 3.31Å; K304-H306 PolarHBondContact O-N 2.82Å; K304-M307 WeakPolarHBondContact O-CB 3.26Å; K304-M307 PolarHBondContact O-N 3.19Å; K304-M307 VanDerWaalsContact O-N 3.12Å; K304-E308 WeakPolarHBondContact CE-OE1 3.36Å; K304-E308 HydrophobicContact CG-CG 4.3Å; K304-E308 WeakPolarHBondContact CG-OE1 3.3Å; K304-E308 WeakPolarHBondContact O-CB 3.41Å; K304-E308 WeakPolarHBondContact O-CG 3.23Å; K304-E308 PolarHBondContact O-N 3.39Å; K304-E415 IonicContact NZ-OE1 3.97Å; K304-E415 PolarHBondContact NZ-OE1 3.41Å
305	Q	75.2	Confident	71.4	Confident	116 Å²	116	80.6 Å²	80.6	54%	0.542	38%	0.375	S	S	.	.	H	α-helix	trans	-59.9	-38.8	176.1	-74.3	176.2	6.7	0	0	112.7	R301 E302 G309	R301-Q305 WeakPolarHBondContact O-CB 3.34Å; R301-Q305 VanDerWaalsContact O-CG 3.32Å; R301-Q305 WeakPolarHBondContact O-CG 3.48Å; R301-Q305 PolarHBondContact O-N 3.31Å; E302-Q305 PolarHBondContact O-N 3.32Å; Q305-G309 PolarHBondContact O-N 2.84Å
306	H	71.1	Confident	71.5	Confident	83 Å²	83	82.5 Å²	82.5	38%	0.384	38%	0.376	S	S	.	.	H	α-helix	trans	-66.6	-40.6	174.3	-168.4	-76.6	0	0	0	111.8	F264 E302 K303 K304 G309 L310	F264-H306 AromaticContact CD2-CE1 3.69Å; F264-H306 AromaticContact CD2-ND1 3.17Å; F264-H306 WeakPolarHBondContact CD2-ND1 3.47Å; F264-H306 HydrophobicContact CE2-CB 4.17Å; F264-H306 AromaticContact CE2-ND1 3.57Å; F264-H306 AromaticContact CG-ND1 3.89Å; E302-H306 WeakPolarHBondContact O-CB 3.45Å; E302-H306 PolarHBondContact O-N 3.04Å; K303-H306 PolarHBondContact O-N 3.33Å; K304-H306 VanDerWaalsContact C-N 3.31Å; K304-H306 PolarHBondContact O-N 2.82Å; H306-G309 PolarHBondContact O-N 2.9Å; H306-L310 WeakPolarHBondContact O-CG 3.45Å; H306-L310 PolarHBondContact O-N 3.38Å
307	M	66	Low	71.7	Confident	27 Å²	27	76.6 Å²	76.6	13%	0.133	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-46.1	175.5	-161.7	-168.6	-52.3	0	0	111.9	F264 K303 K304 G309 L310 L311 N411	F264-M307 HydrophobicContact CE1-CB 4.45Å; F264-M307 HydrophobicContact CE1-CE 4.49Å; F264-M307 HydrophobicContact CE1-CG 4.3Å; F264-M307 HydrophobicContact CZ-CB 4.03Å; F264-M307 HydrophobicContact CZ-CE 4.29Å; F264-M307 HydrophobicContact CZ-CG 4.36Å; K303-M307 WeakPolarHBondContact O-CB 3.24Å; K303-M307 PolarHBondContact O-N 2.75Å; K304-M307 WeakPolarHBondContact O-CB 3.26Å; K304-M307 PolarHBondContact O-N 3.19Å; K304-M307 VanDerWaalsContact O-N 3.12Å; M307-G309 PolarHBondContact O-N 2.89Å; M307-L310 PolarHBondContact O-N 2.96Å; M307-L311 HydrophobicContact CG-CD1 4.38Å; M307-L311 WeakPolarHBondContact O-CB 3.47Å; M307-L311 WeakPolarHBondContact O-CG 3.45Å; M307-L311 PolarHBondContact O-N 3.29Å; M307-N411 HydrophobicContact SD-CB 4.13Å
308	E	69.8	Low	71.5	Confident	78 Å²	78	77.6 Å²	77.6	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-29.6	172.3	-70.7	173.9	-172.4	0	0	112.4	K304 R312	K304-E308 WeakPolarHBondContact CE-OE1 3.36Å; K304-E308 HydrophobicContact CG-CG 4.3Å; K304-E308 WeakPolarHBondContact CG-OE1 3.3Å; K304-E308 WeakPolarHBondContact O-CB 3.41Å; K304-E308 WeakPolarHBondContact O-CG 3.23Å; K304-E308 PolarHBondContact O-N 3.39Å; E308-R312 WeakPolarHBondContact O-CB 3.42Å; E308-R312 WeakPolarHBondContact O-CG 3.17Å; E308-R312 PolarHBondContact O-N 2.82Å; E308-R312 PolarHBondContact O-NE 3.45Å; E308-R312 IonicContact OE2-NH2 3.78Å
309	G	77.2	Confident	71.2	Confident	25 Å²	25	78.5 Å²	78.5	26%	0.258	36%	0.359	S	S	.	.	H	α-helix	trans	-65.3	-54	171.1	0	0	0	0	0	111.5	Q305 H306 M307 L311 R312 E313	Q305-G309 PolarHBondContact O-N 2.84Å; H306-G309 PolarHBondContact O-N 2.9Å; M307-G309 PolarHBondContact O-N 2.89Å; G309-L311 VanDerWaalsContact C-N 3.34Å; G309-L311 PolarHBondContact O-N 2.9Å; G309-R312 PolarHBondContact O-N 2.67Å; G309-E313 PolarHBondContact O-N 3.04Å
310	L	70.8	Confident	71.1	Confident	13 Å²	13	77.9 Å²	77.9	7%	0.068	36%	0.356	C	S	.	.	H	α-helix	trans	-59.6	-41.4	177.1	-68.5	173.3	0	0	0	112.4	K260 L261 F264 H306 M307 R312 E313 L314	K260-L310 HydrophobicContact CB-CD2 3.95Å; K260-L310 HydrophobicContact CD-CD2 4.23Å; L261-L310 HydrophobicContact CD1-CD1 4.22Å; F264-L310 HydrophobicContact CB-CD1 3.87Å; F264-L310 HydrophobicContact CD1-CD1 3.95Å; F264-L310 HydrophobicContact CD2-CD1 4.39Å; F264-L310 HydrophobicContact CG-CD1 3.82Å; H306-L310 WeakPolarHBondContact O-CG 3.45Å; H306-L310 PolarHBondContact O-N 3.38Å; M307-L310 PolarHBondContact O-N 2.96Å; L310-R312 VanDerWaalsContact C-N 3.34Å; L310-R312 PolarHBondContact O-N 2.78Å; L310-E313 PolarHBondContact O-N 3.23Å; L310-L314 WeakPolarHBondContact O-CB 3.34Å; L310-L314 WeakPolarHBondContact O-CG 3.5Å; L310-L314 PolarHBondContact O-N 3.17Å
311	L	69.7	Low	71.2	Confident	52 Å²	52	75.7 Å²	75.7	27%	0.272	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-38.4	176.2	-73.4	169	0	0	0	112.2	M307 G309 L314 H315	M307-L311 HydrophobicContact CG-CD1 4.38Å; M307-L311 WeakPolarHBondContact O-CB 3.47Å; M307-L311 WeakPolarHBondContact O-CG 3.45Å; M307-L311 PolarHBondContact O-N 3.29Å; G309-L311 VanDerWaalsContact C-N 3.34Å; G309-L311 PolarHBondContact O-N 2.9Å; L311-L314 PolarHBondContact O-N 3.05Å; L311-H315 WeakPolarHBondContact O-CB 3.48Å; L311-H315 PolarHBondContact O-N 2.73Å
312	R	76.3	Confident	70.7	Confident	152 Å²	152	71.7 Å²	71.7	57%	0.574	34%	0.342	S	S	*	.	H	α-helix	trans	-71.2	-33.8	174.8	-80.2	176.1	-74.9	-171.1	-10.1	113.3	E308 G309 L310 R316	E308-R312 WeakPolarHBondContact O-CB 3.42Å; E308-R312 WeakPolarHBondContact O-CG 3.17Å; E308-R312 PolarHBondContact O-N 2.82Å; E308-R312 PolarHBondContact O-NE 3.45Å; E308-R312 IonicContact OE2-NH2 3.78Å; G309-R312 PolarHBondContact O-N 2.67Å; L310-R312 VanDerWaalsContact C-N 3.34Å; L310-R312 PolarHBondContact O-N 2.78Å; R312-R316 WeakPolarHBondContact O-CG 3.35Å; R312-R316 PolarHBondContact O-N 3.49Å
313	E	75.4	Confident	70.3	Confident	74 Å²	74	72 Å²	72	35%	0.346	34%	0.344	S	S	.	.	H	α-helix	trans	-68.6	-42.2	171.7	-68.2	-172.7	179.5	0	0	111.6	L257 K260 G309 L310 R316 F317	L257-E313 HydrophobicContact CD2-CB 3.84Å; L257-E313 WeakPolarHBondContact CD2-OE2 3.3Å; K260-E313 IonicContact NZ-OE1 2.97Å; K260-E313 PolarHBondContact NZ-OE1 3.15Å; K260-E313 IonicContact NZ-OE2 3.56Å; K260-E313 PolarHBondContact NZ-OE2 3.45Å; G309-E313 PolarHBondContact O-N 3.04Å; L310-E313 PolarHBondContact O-N 3.23Å; E313-R316 PolarHBondContact O-N 3.5Å; E313-F317 WeakPolarHBondContact O-CB 3.47Å; E313-F317 PolarHBondContact O-N 2.99Å
314	L	68.3	Low	69.8	Low	30 Å²	30	72.3 Å²	72.3	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-62.1	-44.9	175.3	-77.1	166.1	0	0	0	112.2	L310 L311 R316 F317 E318 L400	L310-L314 WeakPolarHBondContact O-CB 3.34Å; L310-L314 WeakPolarHBondContact O-CG 3.5Å; L310-L314 PolarHBondContact O-N 3.17Å; L311-L314 PolarHBondContact O-N 3.05Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.41Å; L314-F317 PolarHBondContact O-N 3.1Å; L314-F317 VanDerWaalsContact O-N 3.14Å; L314-E318 WeakPolarHBondContact O-CB 3.43Å; L314-E318 PolarHBondContact O-N 3.01Å; L314-L400 HydrophobicContact CD2-CD2 4.07Å
315	H	70.3	Confident	69.1	Low	102 Å²	102	71.7 Å²	71.7	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-40.9	178.2	-163.7	-72.1	0	0	0	112.2	L311 F317 E318 E319	L311-H315 WeakPolarHBondContact O-CB 3.48Å; L311-H315 PolarHBondContact O-N 2.73Å; H315-F317 VanDerWaalsContact C-N 3.34Å; H315-E318 WeakPolarHBondContact O-CB 3.44Å; H315-E318 PolarHBondContact O-N 3.24Å; H315-E319 IonicContact CE1-OE1 2.64Å; H315-E319 PolarHBondContact CE1-OE1 3.28Å; H315-E319 IonicContact ND1-OE1 3.77Å; H315-E319 PolarHBondContact ND1-OE1 3.07Å; H315-E319 WeakPolarHBondContact O-CG 3.49Å; H315-E319 PolarHBondContact O-N 3.2Å
316	R	75.5	Confident	67.9	Low	176 Å²	176	68.3 Å²	68.3	66%	0.664	35%	0.347	S	S	*	.	H	α-helix	trans	-67	-35.7	174.4	-73.4	176.5	175.9	-160.9	-2.1	112.6	R312 E313 L314 D320	R312-R316 WeakPolarHBondContact O-CG 3.35Å; R312-R316 PolarHBondContact O-N 3.49Å; E313-R316 PolarHBondContact O-N 3.5Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.41Å; R316-D320 VanDerWaalsContact O-CB 3.29Å; R316-D320 WeakPolarHBondContact O-CB 3.27Å; R316-D320 PolarHBondContact O-N 2.95Å
317	F	70.8	Confident	66.9	Low	11 Å²	11	68 Å²	68	5%	0.048	35%	0.352	C	S	.	.	H	α-helix	trans	-70	-35.8	176.2	-171.5	-99.7	0	0	0	111.8	K250 E253 L254 L257 E313 L314 H315 I321	K250-F317 HydrophobicContact CD-CD2 4.35Å; K250-F317 HydrophobicContact CD-CE2 3.88Å; E253-F317 HydrophobicContact CB-CE2 4.02Å; E253-F317 HydrophobicContact CG-CD2 4.05Å; E253-F317 HydrophobicContact CG-CE2 3.98Å; L254-F317 HydrophobicContact CB-CE1 4.4Å; L254-F317 HydrophobicContact CB-CZ 3.85Å; L254-F317 HydrophobicContact CD1-CE1 3.52Å; L254-F317 HydrophobicContact CD1-CZ 3.85Å; L254-F317 HydrophobicContact CG-CZ 4.5Å; L257-F317 HydrophobicContact CD1-CB 3.85Å; L257-F317 HydrophobicContact CD1-CD1 4.07Å; L257-F317 HydrophobicContact CD1-CD2 3.69Å; L257-F317 HydrophobicContact CD1-CE2 4.25Å; L257-F317 HydrophobicContact CD1-CG 3.59Å; E313-F317 WeakPolarHBondContact O-CB 3.47Å; E313-F317 PolarHBondContact O-N 2.99Å; L314-F317 PolarHBondContact O-N 3.1Å; L314-F317 VanDerWaalsContact O-N 3.14Å; H315-F317 VanDerWaalsContact C-N 3.34Å; F317-I321 HydrophobicContact CD1-CD1 3.91Å; F317-I321 HydrophobicContact CE1-CD1 3.28Å; F317-I321 HydrophobicContact CE1-CG1 4.17Å; F317-I321 HydrophobicContact CZ-CD1 3.63Å; F317-I321 HydrophobicContact CZ-CG1 4.3Å; F317-I321 WeakPolarHBondContact O-CB 3.41Å; F317-I321 WeakPolarHBondContact O-CG1 3.5Å; F317-I321 PolarHBondContact O-N 3.34Å
318	E	64.7	Low	65.8	Low	72 Å²	72	70.4 Å²	70.4	34%	0.336	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-45.5	172	-169.2	169.2	-163.8	0	0	111.2	L314 H315 G322 K404	L314-E318 WeakPolarHBondContact O-CB 3.43Å; L314-E318 PolarHBondContact O-N 3.01Å; H315-E318 WeakPolarHBondContact O-CB 3.44Å; H315-E318 PolarHBondContact O-N 3.24Å; E318-G322 PolarHBondContact O-N 3.09Å; E318-K404 VanDerWaalsContact CD-NZ 3.29Å; E318-K404 IonicContact OE1-NZ 2.67Å; E318-K404 PolarHBondContact OE1-NZ 2.69Å; E318-K404 VanDerWaalsContact OE1-NZ 3.08Å; E318-K404 IonicContact OE2-NZ 2.63Å; E318-K404 PolarHBondContact OE2-NZ 3.25Å
319	E	70.1	Confident	64.5	Low	93 Å²	93	72.8 Å²	72.8	44%	0.435	38%	0.378	S	S	.	.	H	α-helix	trans	-61.5	-46.6	171.8	-74.3	169.5	170.3	0	0	113	H315 G322 Q323	H315-E319 IonicContact CE1-OE1 2.64Å; H315-E319 PolarHBondContact CE1-OE1 3.28Å; H315-E319 IonicContact ND1-OE1 3.77Å; H315-E319 PolarHBondContact ND1-OE1 3.07Å; H315-E319 WeakPolarHBondContact O-CG 3.49Å; H315-E319 PolarHBondContact O-N 3.2Å; E319-G322 PolarHBondContact O-N 3.42Å; E319-Q323 WeakPolarHBondContact O-CG 3.3Å; E319-Q323 PolarHBondContact O-N 3.33Å
320	D	69.7	Low	62.5	Low	67 Å²	67	76.8 Å²	76.8	36%	0.358	40%	0.401	S	S	.	.	H	α-helix	trans	-66.2	-36.6	179.8	-88.3	-0.1	0	0	0	112	K250 R316 A324	K250-D320 IonicContact NZ-OD2 2.61Å; K250-D320 PolarHBondContact NZ-OD2 3.32Å; R316-D320 VanDerWaalsContact O-CB 3.29Å; R316-D320 WeakPolarHBondContact O-CB 3.27Å; R316-D320 PolarHBondContact O-N 2.95Å; D320-A324 VanDerWaalsContact O-CB 3.3Å; D320-A324 WeakPolarHBondContact O-CB 3.4Å; D320-A324 PolarHBondContact O-N 3.25Å
321	I	66	Low	60.7	Low	39 Å²	39	81.9 Å²	81.9	20%	0.2	43%	0.428	C	S	.	.	H	α-helix	trans	-68	-43.6	171.6	-78.6	-175	0	0	0	110.4	F317 Q323 A324 I325	F317-I321 HydrophobicContact CD1-CD1 3.91Å; F317-I321 HydrophobicContact CE1-CD1 3.28Å; F317-I321 HydrophobicContact CE1-CG1 4.17Å; F317-I321 HydrophobicContact CZ-CD1 3.63Å; F317-I321 HydrophobicContact CZ-CG1 4.3Å; F317-I321 WeakPolarHBondContact O-CB 3.41Å; F317-I321 WeakPolarHBondContact O-CG1 3.5Å; F317-I321 PolarHBondContact O-N 3.34Å; I321-Q323 VanDerWaalsContact C-N 3.31Å; I321-Q323 PolarHBondContact O-N 2.82Å; I321-A324 PolarHBondContact O-N 3.5Å; I321-A324 VanDerWaalsContact O-N 3.1Å; I321-I325 HydrophobicContact CG2-CD1 3.59Å; I321-I325 HydrophobicContact CG2-CG1 4.27Å; I321-I325 WeakPolarHBondContact O-CB 3.43Å; I321-I325 WeakPolarHBondContact O-CG1 3.28Å; I321-I325 PolarHBondContact O-N 3.01Å
322	G	62.7	Low	58.8	Low	41 Å²	41	83.4 Å²	83.4	42%	0.423	44%	0.441	S	S	.	.	H	α-helix	trans	-55	-46.8	174.2	0	0	0	0	0	112	E318 E319 A324 I325 A326	E318-G322 PolarHBondContact O-N 3.09Å; E319-G322 PolarHBondContact O-N 3.42Å; G322-A324 PolarHBondContact O-N 3.32Å; G322-I325 PolarHBondContact O-N 3.22Å; G322-A326 VanDerWaalsContact O-CB 3.24Å; G322-A326 WeakPolarHBondContact O-CB 3.42Å; G322-A326 PolarHBondContact O-N 3.42Å
323	Q	65.5	Low	56.8	Low	136 Å²	136	82.8 Å²	82.8	64%	0.636	45%	0.454	S	S	*	.	H	α-helix	trans	-69.6	-28.3	176.3	-70.6	177.7	54	0	0	113.8	E319 I321 P327	E319-Q323 WeakPolarHBondContact O-CG 3.3Å; E319-Q323 PolarHBondContact O-N 3.33Å; I321-Q323 VanDerWaalsContact C-N 3.31Å; I321-Q323 PolarHBondContact O-N 2.82Å; Q323-P327 WeakPolarHBondContact O-CD 3.17Å
324	A	59.2	Low	54.8	Low	59 Å²	59	82.2 Å²	82.2	49%	0.488	46%	0.461	S	S	.	.	H	α-helix	trans	-75.8	-32	174.5	0	0	0	0	0	112.9	D320 I321 G322	D320-A324 VanDerWaalsContact O-CB 3.3Å; D320-A324 WeakPolarHBondContact O-CB 3.4Å; D320-A324 PolarHBondContact O-N 3.25Å; I321-A324 PolarHBondContact O-N 3.5Å; I321-A324 VanDerWaalsContact O-N 3.1Å; G322-A324 PolarHBondContact O-N 3.32Å
325	I	57.3	Low	53.2	Low	59 Å²	59	83.6 Å²	83.6	30%	0.303	47%	0.474	S	S	.	.	H	α-helix	trans	-89.7	-33	-178.7	-65.9	177.8	0	0	0	112.2	I321 G322 P327 Q328 L329	I321-I325 HydrophobicContact CG2-CD1 3.59Å; I321-I325 HydrophobicContact CG2-CG1 4.27Å; I321-I325 WeakPolarHBondContact O-CB 3.43Å; I321-I325 WeakPolarHBondContact O-CG1 3.28Å; I321-I325 PolarHBondContact O-N 3.01Å; G322-I325 PolarHBondContact O-N 3.22Å; I325-P327 VanDerWaalsContact C-CD 3.48Å; I325-Q328 WeakPolarHBondContact O-CA 3.49Å; I325-Q328 WeakPolarHBondContact O-CB 3.38Å; I325-Q328 PolarHBondContact O-N 3.5Å; I325-L329 HydrophobicContact CG2-CD1 3.85Å; I325-L329 HydrophobicContact CG2-CG 3.97Å; I325-L329 PolarHBondContact O-N 3.28Å; I325-L329 VanDerWaalsContact O-N 3.1Å
326	A	50	Low	51.6	Low	45 Å²	45	81.1 Å²	81.1	37%	0.372	47%	0.467	S	S	.	.	H	α-helix	trans	-51.5	-41.7	-177.3	0	0	0	0	0	114.6	G322 Q328 L329 C330	G322-A326 VanDerWaalsContact O-CB 3.24Å; G322-A326 WeakPolarHBondContact O-CB 3.42Å; G322-A326 PolarHBondContact O-N 3.42Å; A326-Q328 PolarHBondContact O-N 3.44Å; A326-L329 PolarHBondContact O-N 2.81Å; A326-L329 VanDerWaalsContact O-N 3.16Å; A326-C330 PolarHBondContact O-N 3.49Å; A326-C330 VanDerWaalsContact O-N 3.14Å; A326-C330 PolarHBondContact O-SG 2.81Å
327	P	48.7	Very low	49.7	Very low	76 Å²	76	75.9 Å²	75.9	49%	0.494	46%	0.457	S	S	.	.	H	α-helix	trans	-62	-24.6	174.9	-24	35.3	0	0	0	114.5	Q323 I325	Q323-P327 WeakPolarHBondContact O-CD 3.17Å; I325-P327 VanDerWaalsContact C-CD 3.48Å
328	Q	44.4	Very low	48	Very low	79 Å²	79	78.1 Å²	78.1	37%	0.369	47%	0.474	S	S	.	.	H	α-helix	trans	-89.3	-23	177.3	-59.9	-169.9	-2.8	0	0	112.4	I325 A326 C330	I325-Q328 WeakPolarHBondContact O-CA 3.49Å; I325-Q328 WeakPolarHBondContact O-CB 3.38Å; I325-Q328 PolarHBondContact O-N 3.5Å; A326-Q328 PolarHBondContact O-N 3.44Å; Q328-C330 VanDerWaalsContact C-N 3.29Å
329	L	42.4	Very low	46.6	Very low	128 Å²	128	78.6 Å²	78.6	67%	0.67	48%	0.482	S	S	*	.	H	α-helix	trans	-75.5	-16.6	167.6	-71.3	170	0	0	0	112.9	I325 A326 L331	I325-L329 HydrophobicContact CG2-CD1 3.85Å; I325-L329 HydrophobicContact CG2-CG 3.97Å; I325-L329 PolarHBondContact O-N 3.28Å; I325-L329 VanDerWaalsContact O-N 3.1Å; A326-L329 PolarHBondContact O-N 2.81Å; A326-L329 VanDerWaalsContact O-N 3.16Å; L329-L331 VanDerWaalsContact C-N 3.29Å; L329-L331 PolarHBondContact O-N 3.38Å
330	C	35.3	Very low	45	Very low	108 Å²	108	78.2 Å²	78.2	73%	0.73	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	17.7	172.5	-66.3	0	0	0	0	114.2	A326 Q328	A326-C330 PolarHBondContact O-N 3.49Å; A326-C330 VanDerWaalsContact O-N 3.14Å; A326-C330 PolarHBondContact O-SG 2.81Å; Q328-C330 VanDerWaalsContact C-N 3.29Å
331	L	32.3	Very low	43.5	Very low	121 Å²	121	78.2 Å²	78.2	63%	0.634	49%	0.488	S	S	*	.	S	Bend	trans	-59.2	141.5	154.3	-75	170	0	0	0	108.6	L329 T333	L329-L331 VanDerWaalsContact C-N 3.29Å; L329-L331 PolarHBondContact O-N 3.38Å; L331-T333 PolarHBondContact O-N 3.21Å
332	P	31	Very low	42	Very low	84 Å²	84	82.3 Å²	82.3	55%	0.545	51%	0.509	S	S	.	.			trans	-69.9	100	-170.4	27.1	-34.5	0	0	0	111.5	A334	P332-A334 PolarHBondContact O-N 2.85Å
333	T	34.1	Very low	40.9	Very low	139 Å²	139	86.3 Å²	86.3	85%	0.853	52%	0.52	S	S	*	.			trans	-69.3	28.2	170	47.4	0	0	0	0	113.1	L331 S335	L331-T333 PolarHBondContact O-N 3.21Å; T333-S335 PolarHBondContact O-N 2.97Å
334	A	32.4	Very low	39.5	Very low	61 Å²	61	82.9 Å²	82.9	50%	0.504	52%	0.522	S	S	.	.	S	Bend	trans	-89	90.5	-178.6	0	0	0	0	0	110.7	P332 S338	P332-A334 PolarHBondContact O-N 2.85Å; A334-S338 WeakPolarHBondContact O-CB 3.36Å; A334-S338 PolarHBondContact O-OG 3.35Å
335	S	34.3	Very low	38.6	Very low	59 Å²	59	85.8 Å²	85.8	41%	0.413	53%	0.529	S	S	.	.			trans	68	131.8	175.5	-171.2	0	0	0	0	116.7	T333 S337 S338	T333-S335 PolarHBondContact O-N 2.97Å; S335-S337 PolarHBondContact O-N 3.31Å; S335-S337 PolarHBondContact OG-N 3.32Å; S335-S337 PolarHBondContact OG-OG 2.93Å; S335-S338 WeakPolarHBondContact O-CB 3.48Å; S335-S338 PolarHBondContact O-N 3.3Å; S335-S338 VanDerWaalsContact O-N 3.17Å; S335-S338 PolarHBondContact O-OG 2.9Å
336	P	36.9	Very low	37.6	Very low	50 Å²	50	90 Å²	90	33%	0.325	55%	0.548	S	S	.	.	H	α-helix	trans	-62.3	-24.3	171.3	26.4	-35.1	0	0	0	113.1	S338 V339 N340 D656	P336-S338 PolarHBondContact O-N 2.8Å; P336-V339 PolarHBondContact O-N 3.23Å; P336-N340 PolarHBondContact O-N 3.5Å; P336-D656 HydrophobicContact CB-CB 4.48Å; P336-D656 HydrophobicContact CG-CB 3.84Å; P336-D656 WeakPolarHBondContact CG-OD2 3.45Å
337	S	35.2	Very low	36.7	Very low	66 Å²	66	94.8 Å²	94.8	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-61.6	-28.4	175.5	68.7	0	0	0	0	113.3	S335 S341	S335-S337 PolarHBondContact O-N 3.31Å; S335-S337 PolarHBondContact OG-N 3.32Å; S335-S337 PolarHBondContact OG-OG 2.93Å; S337-S341 WeakPolarHBondContact O-CB 2.98Å; S337-S341 PolarHBondContact O-N 2.93Å; S337-S341 PolarHBondContact O-OG 2.98Å
338	S	36.6	Very low	35.9	Very low	58 Å²	58	100 Å²	100	41%	0.406	58%	0.576	S	S	.	*	H	α-helix	trans	-67.2	-41	177.6	-54.2	0	0	0	0	112.2	A334 S335 P336 S341 L342	A334-S338 WeakPolarHBondContact O-CB 3.36Å; A334-S338 PolarHBondContact O-OG 3.35Å; S335-S338 WeakPolarHBondContact O-CB 3.48Å; S335-S338 PolarHBondContact O-N 3.3Å; S335-S338 VanDerWaalsContact O-N 3.17Å; S335-S338 PolarHBondContact O-OG 2.9Å; P336-S338 PolarHBondContact O-N 2.8Å; S338-S341 PolarHBondContact O-N 3.44Å; S338-L342 PolarHBondContact O-N 3.23Å
339	V	35.7	Very low	35.4	Very low	83 Å²	83	101.9 Å²	101.9	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-71.5	-43.9	-174.9	-174.5	0	0	0	0	110.9	P336 S341 L342 L343	P336-V339 PolarHBondContact O-N 3.23Å; V339-S341 VanDerWaalsContact C-N 3.27Å; V339-S341 PolarHBondContact O-N 2.93Å; V339-L342 PolarHBondContact O-N 2.98Å; V339-L343 HydrophobicContact CG1-CD1 4.32Å; V339-L343 PolarHBondContact O-N 2.91Å; V339-L343 VanDerWaalsContact O-N 3.15Å
340	N	35.9	Very low	34.9	Very low	85 Å²	85	101.7 Å²	101.7	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-64.6	-32.5	174.4	-71.7	-24.9	0	0	0	112.1	P336 G344 S657	P336-N340 PolarHBondContact O-N 3.5Å; N340-G344 PolarHBondContact O-N 3.47Å; N340-S657 PolarHBondContact ND2-OG 3.19Å
341	S	38.1	Very low	35	Very low	67 Å²	67	102.6 Å²	102.6	47%	0.469	59%	0.594	S	S	.	*	H	α-helix	trans	-70.9	-30.3	174.4	-59.3	0	0	0	0	113.3	S337 S338 V339 N345	S337-S341 WeakPolarHBondContact O-CB 2.98Å; S337-S341 PolarHBondContact O-N 2.93Å; S337-S341 PolarHBondContact O-OG 2.98Å; S338-S341 PolarHBondContact O-N 3.44Å; V339-S341 VanDerWaalsContact C-N 3.27Å; V339-S341 PolarHBondContact O-N 2.93Å; S341-N345 PolarHBondContact O-ND2 3.4Å
342	L	34.8	Very low	35.1	Very low	124 Å²	124	105.9 Å²	105.9	65%	0.649	61%	0.606	S	S	*	*	H	α-helix	trans	-75.1	-30.9	175.7	-130.3	80.3	0	0	0	112.9	S338 V339	S338-L342 PolarHBondContact O-N 3.23Å; V339-L342 PolarHBondContact O-N 2.98Å
343	L	39.3	Very low	35.4	Very low	125 Å²	125	106.3 Å²	106.3	65%	0.654	61%	0.612	S	S	*	*	H	α-helix	trans	-87.9	-21.7	178.9	-74.8	166.5	0	0	0	113.8	V339	V339-L343 HydrophobicContact CG1-CD1 4.32Å; V339-L343 PolarHBondContact O-N 2.91Å; V339-L343 VanDerWaalsContact O-N 3.15Å
344	G	36.7	Very low	35.4	Very low	65 Å²	65	104.3 Å²	104.3	67%	0.67	61%	0.609	S	S	*	*	H	α-helix	trans	-89.8	-19.7	-177.8	0	0	0	0	0	115.8	N340	N340-G344 PolarHBondContact O-N 3.47Å
345	N	40.3	Very low	35.7	Very low	120 Å²	120	107.9 Å²	107.9	64%	0.642	62%	0.624	S	S	*	*	S	Bend	trans	-95.8	153.8	-180	-73.6	-48.1	0	0	0	112.2	S341 L347	S341-N345 PolarHBondContact O-ND2 3.4Å; N345-L347 PolarHBondContact O-N 3.18Å
346	E	35.3	Very low	35.6	Very low	147 Å²	147	111.2 Å²	111.2	69%	0.687	65%	0.648	S	S	*	*			trans	-60.8	98.5	178.5	-68	-177.2	174.3	0	0	111.5	R348	E346-R348 HydrophobicContact CB-CG 4.1Å; E346-R348 PolarHBondContact O-N 3.18Å; E346-R348 IonicContact OE2-CZ 3.23Å; E346-R348 VanDerWaalsContact OE2-CZ 3.23Å; E346-R348 IonicContact OE2-NE 2.81Å; E346-R348 PolarHBondContact OE2-NE 3.42Å; E346-R348 IonicContact OE2-NH2 2.76Å; E346-R348 PolarHBondContact OE2-NH2 2.87Å
347	L	30.6	Very low	35.4	Very low	145 Å²	145	112.7 Å²	112.7	76%	0.759	67%	0.672	S	S	*	*			trans	-73.1	72.4	166.6	-125.7	171.3	0	0	0	108.8	N345 V349	N345-L347 PolarHBondContact O-N 3.18Å; L347-V349 PolarHBondContact O-N 3.21Å; L347-V349 VanDerWaalsContact O-N 3.08Å
348	R	32.5	Very low	35.5	Very low	186 Å²	186	119.1 Å²	119.1	70%	0.702	69%	0.692	S	S	*	*			trans	-59	113	176.8	-68.4	-174.7	179.6	-166.4	-2.8	108.7	E346 V350	E346-R348 HydrophobicContact CB-CG 4.1Å; E346-R348 PolarHBondContact O-N 3.18Å; E346-R348 IonicContact OE2-CZ 3.23Å; E346-R348 VanDerWaalsContact OE2-CZ 3.23Å; E346-R348 IonicContact OE2-NE 2.81Å; E346-R348 PolarHBondContact OE2-NE 3.42Å; E346-R348 IonicContact OE2-NH2 2.76Å; E346-R348 PolarHBondContact OE2-NH2 2.87Å; R348-V350 VanDerWaalsContact C-N 3.3Å; R348-V350 PolarHBondContact O-N 2.85Å
349	V	33.4	Very low	35.3	Very low	119 Å²	119	123.1 Å²	123.1	72%	0.721	71%	0.708	S	S	*	*			trans	-67.8	94.8	168.8	-178.9	0	0	0	0	107.1	L347 D351	L347-V349 PolarHBondContact O-N 3.21Å; L347-V349 VanDerWaalsContact O-N 3.08Å; V349-D351 PolarHBondContact O-N 3.31Å
350	V	33.6	Very low	35.3	Very low	123 Å²	123	124.4 Å²	124.4	75%	0.745	72%	0.716	S	S	*	*			trans	-74.1	83.8	169.6	-178.6	0	0	0	0	107.1	R348 E352	R348-V350 VanDerWaalsContact C-N 3.3Å; R348-V350 PolarHBondContact O-N 2.85Å; V350-E352 PolarHBondContact O-N 2.87Å
351	D	36.2	Very low	35.3	Very low	128 Å²	128	128.4 Å²	128.4	68%	0.684	73%	0.732	S	S	*	*			trans	-68.5	109.9	175.1	-166.5	22.3	0	0	0	108.8	V349 S353	V349-D351 PolarHBondContact O-N 3.31Å; D351-S353 PolarHBondContact O-N 3.06Å
352	E	34.1	Very low	35.1	Very low	189 Å²	189	131.4 Å²	131.4	88%	0.883	74%	0.743	S	S	*	*			trans	-72.1	69.8	-173.3	-74.8	-155.1	120.5	0	0	112.8	V350	V350-E352 PolarHBondContact O-N 2.87Å
353	S	38.6	Very low	35.3	Very low	94 Å²	94	131.6 Å²	131.6	66%	0.657	75%	0.749	S	S	*	*			trans	-118.4	56.4	171.6	57.4	0	0	0	0	111.6	D351 T355	D351-S353 PolarHBondContact O-N 3.06Å; S353-T355 PolarHBondContact O-N 3.39Å; S353-T355 VanDerWaalsContact O-N 3.16Å
354	A	34.3	Very low	35.2	Very low	96 Å²	96	131.3 Å²	131.3	79%	0.793	76%	0.758	S	S	*	*			trans	-62.3	114.5	178.9	0	0	0	0	0	112.6
355	T	37.5	Very low	35.2	Very low	136 Å²	136	135.8 Å²	135.8	83%	0.834	77%	0.766	S	S	*	*			trans	-162.6	108.6	143.6	3.4	0	0	0	0	114.5	S353	S353-T355 PolarHBondContact O-N 3.39Å; S353-T355 VanDerWaalsContact O-N 3.16Å
356	S	32.6	Very low	35.3	Very low	130 Å²	130	135.2 Å²	135.2	91%	0.909	77%	0.772	S	S	*	*			trans	27.5	100.2	140.2	-164.5	0	0	0	0	119.1
357	G	33.5	Very low	35.8	Very low	80 Å²	80	134.5 Å²	134.5	83%	0.825	78%	0.777	S	S	*	*			trans	-152.7	116.4	168.7	0	0	0	0	0	112.7
358	K	35.2	Very low	36.6	Very low	201 Å²	201	131.1 Å²	131.1	87%	0.874	77%	0.77	S	S	*	*			trans	-75.7	156.2	-179.9	-90.2	-179.3	172.9	178.3	0	113.2
359	L	33.8	Very low	37.4	Very low	143 Å²	143	124.6 Å²	124.6	75%	0.749	75%	0.753	S	S	*	*			trans	98.1	130.3	140.9	-118.4	76.5	0	0	0	120.5
360	T	35.2	Very low	38.2	Very low	110 Å²	110	124.3 Å²	124.3	68%	0.675	75%	0.748	S	S	*	*			trans	58.2	103	148.9	42.1	0	0	0	0	121.3
361	Q	37	Very low	39.4	Very low	168 Å²	168	124.5 Å²	124.5	79%	0.785	74%	0.744	S	S	*	*				32.8	104	117.9	-88.2	-177.6	-42.6	0	0	118.4
362	N	33.8	Very low	40.5	Very low	131 Å²	131	124.6 Å²	124.6	70%	0.701	74%	0.741	S	S	*	*				164.3	141.4	95.4	-83.4	-24.3	0	0	0	113.7
363	T	37.7	Very low	41.8	Very low	128 Å²	128	121 Å²	121	79%	0.785	72%	0.724	S	S	*	*			trans	41	104.3	149.5	58.3	0	0	0	0	120.5
364	S	38.3	Very low	43.4	Very low	119 Å²	119	122.5 Å²	122.5	83%	0.832	72%	0.72	S	S	*	*				179.4	109.2	120.2	55.5	0	0	0	0	112.1
365	D	36.2	Very low	45.1	Very low	159 Å²	159	121 Å²	121	85%	0.85	71%	0.708	S	S	*	*			trans	-84.1	170.7	171.8	-61.2	-69.8	0	0	0	112.8
366	S	41.2	Very low	46.6	Very low	108 Å²	108	119.8 Å²	119.8	76%	0.755	69%	0.691	S	S	*	*	S	Bend	trans	111.4	3.9	161.5	79.9	0	0	0	0	121.1
367	V	46.8	Very low	48.6	Very low	131 Å²	131	119.8 Å²	119.8	79%	0.794	67%	0.671	S	S	*	*	S	Bend	trans	-112.4	-14.8	179.6	-172.8	0	0	0	0	114.7
368	A	46.5	Very low	50.6	Low	75 Å²	75	122 Å²	122	62%	0.62	66%	0.659	S	S	*	*	S	Bend	trans	-79.2	-25.7	-174.7	0	0	0	0	0	115.1	D370	A368-D370 VanDerWaalsContact C-N 3.32Å; A368-D370 PolarHBondContact O-N 2.91Å
369	S	49.9	Very low	52.2	Low	49 Å²	49	117.3 Å²	117.3	34%	0.343	64%	0.644	S	S	.	*	H	α-helix	trans	-63.1	-30.8	-167	50.6	0	0	0	0	115.2	N371 E372 H373	S369-N371 PolarHBondContact O-N 3.42Å; S369-E372 PolarHBondContact O-N 2.63Å; S369-H373 WeakPolarHBondContact O-CB 3.15Å; S369-H373 PolarHBondContact O-CD2 2.78Å; S369-H373 PolarHBondContact O-N 3.45Å
370	D	50.9	Low	53.9	Low	113 Å²	113	114.4 Å²	114.4	60%	0.604	63%	0.626	S	S	*	*	H	α-helix	trans	-72.6	-34.1	-169.8	-70.8	4.3	0	0	0	111.9	A368 H373 E374	A368-D370 VanDerWaalsContact C-N 3.32Å; A368-D370 PolarHBondContact O-N 2.91Å; D370-H373 PolarHBondContact O-N 3.25Å; D370-E374 WeakPolarHBondContact O-CB 3.37Å; D370-E374 PolarHBondContact O-N 2.98Å
371	N	58.1	Low	55.9	Low	127 Å²	127	114 Å²	114	68%	0.679	62%	0.62	S	S	*	*	H	α-helix	trans	-68.2	-40.9	174.5	-76.7	-17.5	0	0	0	111.9	S369 E374 A375	S369-N371 PolarHBondContact O-N 3.42Å; N371-E374 PolarHBondContact O-N 3.04Å; N371-A375 WeakPolarHBondContact O-CB 3.45Å; N371-A375 PolarHBondContact O-N 3.33Å
372	E	59.2	Low	57.8	Low	130 Å²	130	109.5 Å²	109.5	61%	0.607	60%	0.599	S	S	*	*	H	α-helix	trans	-66.3	-40.3	174.9	-66.6	-171.1	137.6	0	0	111.2	S369 E374 A375 K376	S369-E372 PolarHBondContact O-N 2.63Å; E372-E374 VanDerWaalsContact C-N 3.32Å; E372-E374 PolarHBondContact O-N 2.99Å; E372-A375 PolarHBondContact O-N 2.94Å; E372-K376 VanDerWaalsContact O-CB 3.25Å; E372-K376 WeakPolarHBondContact O-CB 3.41Å; E372-K376 PolarHBondContact O-N 3.06Å
373	H	61.8	Low	59.5	Low	113 Å²	113	107.5 Å²	107.5	52%	0.523	59%	0.587	S	S	.	*	H	α-helix	trans	-66.3	-29.5	173.3	-80	-42.6	0	0	0	113.4	S369 D370 R377	S369-H373 WeakPolarHBondContact O-CB 3.15Å; S369-H373 PolarHBondContact O-CD2 2.78Å; S369-H373 PolarHBondContact O-N 3.45Å; D370-H373 PolarHBondContact O-N 3.25Å; H373-R377 WeakPolarHBondContact O-CB 3.21Å; H373-R377 VanDerWaalsContact O-CG 3.25Å; H373-R377 WeakPolarHBondContact O-CG 3.34Å; H373-R377 PolarHBondContact O-N 2.97Å; H373-R377 VanDerWaalsContact O-N 3.15Å; H373-R377 PolarHBondContact O-NE 3.08Å
374	E	72.8	Confident	61.3	Low	126 Å²	126	106.4 Å²	106.4	59%	0.589	57%	0.573	S	S	*	*	H	α-helix	trans	-77.3	-41.7	172.7	-171.7	144.2	-154.9	0	0	112.5	D370 N371 E372 K376 R377 H378	D370-E374 WeakPolarHBondContact O-CB 3.37Å; D370-E374 PolarHBondContact O-N 2.98Å; N371-E374 PolarHBondContact O-N 3.04Å; E372-E374 VanDerWaalsContact C-N 3.32Å; E372-E374 PolarHBondContact O-N 2.99Å; E374-K376 PolarHBondContact O-N 3.42Å; E374-R377 PolarHBondContact O-N 2.92Å; E374-H378 PolarHBondContact O-N 3.28Å
375	A	68.6	Low	63	Low	65 Å²	65	104 Å²	104	54%	0.537	56%	0.557	S	S	.	*	H	α-helix	trans	-60.7	-43.6	172.9	0	0	0	0	0	112	N371 E372 H378 L379	N371-A375 WeakPolarHBondContact O-CB 3.45Å; N371-A375 PolarHBondContact O-N 3.33Å; E372-A375 PolarHBondContact O-N 2.94Å; A375-H378 PolarHBondContact O-N 3.25Å; A375-L379 PolarHBondContact O-N 2.88Å
376	K	70.2	Confident	64.4	Low	109 Å²	109	100.2 Å²	100.2	47%	0.474	53%	0.534	S	S	.	.	H	α-helix	trans	-61.7	-47.2	174.5	-179.8	165.1	177.3	166.9	0	111.6	E372 E374 H378 L379 E380	E372-K376 VanDerWaalsContact O-CB 3.25Å; E372-K376 WeakPolarHBondContact O-CB 3.41Å; E372-K376 PolarHBondContact O-N 3.06Å; E374-K376 PolarHBondContact O-N 3.42Å; K376-H378 VanDerWaalsContact C-N 3.32Å; K376-H378 PolarHBondContact O-N 3.33Å; K376-L379 PolarHBondContact O-N 3.5Å; K376-L379 VanDerWaalsContact O-N 3.13Å; K376-E380 WeakPolarHBondContact CE-OE1 3.47Å; K376-E380 HydrophobicContact CG-CG 4.34Å; K376-E380 WeakPolarHBondContact CG-OE1 3.43Å; K376-E380 WeakPolarHBondContact O-CB 3.35Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 3.08Å
377	R	73.9	Confident	65.6	Low	131 Å²	131	100.4 Å²	100.4	49%	0.494	52%	0.524	S	S	.	.	H	α-helix	trans	-61.6	-36.6	175.3	-78.4	176.9	-67.8	162.5	3.1	112.7	H373 E374 N381	H373-R377 WeakPolarHBondContact O-CB 3.21Å; H373-R377 VanDerWaalsContact O-CG 3.25Å; H373-R377 WeakPolarHBondContact O-CG 3.34Å; H373-R377 PolarHBondContact O-N 2.97Å; H373-R377 VanDerWaalsContact O-N 3.15Å; H373-R377 PolarHBondContact O-NE 3.08Å; E374-R377 PolarHBondContact O-N 2.92Å; R377-N381 VanDerWaalsContact O-CB 3.31Å; R377-N381 WeakPolarHBondContact O-CB 3.21Å; R377-N381 PolarHBondContact O-N 3.26Å; R377-N381 PolarHBondContact O-ND2 3.04Å; R377-N381 VanDerWaalsContact O-ND2 3.13Å
378	H	75.2	Confident	66.9	Low	125 Å²	125	99.4 Å²	99.4	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-63.7	-43	173.5	-174.6	-62.9	0	0	0	111.4	E374 A375 K376 Q382	E374-H378 PolarHBondContact O-N 3.28Å; A375-H378 PolarHBondContact O-N 3.25Å; K376-H378 VanDerWaalsContact C-N 3.32Å; K376-H378 PolarHBondContact O-N 3.33Å; H378-Q382 WeakPolarHBondContact O-CB 3.46Å; H378-Q382 PolarHBondContact O-N 3.26Å
379	L	70.1	Confident	67.9	Low	104 Å²	104	98.3 Å²	98.3	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-43.6	177.4	-170.4	66.5	0	0	0	111.8	A375 K376 Q382 I383	A375-L379 PolarHBondContact O-N 2.88Å; K376-L379 PolarHBondContact O-N 3.5Å; K376-L379 VanDerWaalsContact O-N 3.13Å; L379-Q382 PolarHBondContact O-N 3.2Å; L379-Q382 VanDerWaalsContact O-N 3.17Å; L379-I383 HydrophobicContact CG-CD1 4.06Å; L379-I383 WeakPolarHBondContact O-CG1 3.4Å; L379-I383 PolarHBondContact O-N 3.37Å
380	E	69.2	Low	68.7	Low	81 Å²	81	99.2 Å²	99.2	38%	0.379	50%	0.497	S	S	.	.	H	α-helix	trans	-59.1	-47	174.9	-72.5	167.1	169.3	0	0	111.6	K376 Q382 I383 Q384	K376-E380 WeakPolarHBondContact CE-OE1 3.47Å; K376-E380 HydrophobicContact CG-CG 4.34Å; K376-E380 WeakPolarHBondContact CG-OE1 3.43Å; K376-E380 WeakPolarHBondContact O-CB 3.35Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 3.08Å; E380-Q382 VanDerWaalsContact C-N 3.3Å; E380-Q382 PolarHBondContact O-N 3.08Å; E380-I383 PolarHBondContact O-N 2.85Å; E380-Q384 WeakPolarHBondContact O-CG 3.44Å; E380-Q384 PolarHBondContact O-N 2.91Å
381	N	77.6	Confident	69.7	Low	102 Å²	102	99.5 Å²	99.5	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-60	-39.4	174.1	-74.2	-27.2	0	0	0	112.1	R377 S385	R377-N381 VanDerWaalsContact O-CB 3.31Å; R377-N381 WeakPolarHBondContact O-CB 3.21Å; R377-N381 PolarHBondContact O-N 3.26Å; R377-N381 PolarHBondContact O-ND2 3.04Å; R377-N381 VanDerWaalsContact O-ND2 3.13Å; N381-S385 WeakPolarHBondContact O-CB 3.22Å; N381-S385 PolarHBondContact O-N 3.32Å
382	Q	74.8	Confident	70.5	Confident	73 Å²	73	99.7 Å²	99.7	34%	0.341	49%	0.489	S	S	.	.	H	α-helix	trans	-69.8	-40	178.7	-171	169	-9.8	0	0	111.7	H378 L379 E380 S385 H386	H378-Q382 WeakPolarHBondContact O-CB 3.46Å; H378-Q382 PolarHBondContact O-N 3.26Å; L379-Q382 PolarHBondContact O-N 3.2Å; L379-Q382 VanDerWaalsContact O-N 3.17Å; E380-Q382 VanDerWaalsContact C-N 3.3Å; E380-Q382 PolarHBondContact O-N 3.08Å; Q382-S385 PolarHBondContact O-N 3.36Å; Q382-H386 PolarHBondContact O-CD2 3.47Å; Q382-H386 PolarHBondContact O-N 2.93Å
383	I	70	Confident	70.5	Confident	90 Å²	90	96 Å²	96	46%	0.462	47%	0.473	S	S	.	.	H	α-helix	trans	-63.3	-46.9	173.4	-69.1	165.3	0	0	0	110.5	L379 E380 S385 H386 M387	L379-I383 HydrophobicContact CG-CD1 4.06Å; L379-I383 WeakPolarHBondContact O-CG1 3.4Å; L379-I383 PolarHBondContact O-N 3.37Å; E380-I383 PolarHBondContact O-N 2.85Å; I383-S385 VanDerWaalsContact C-N 3.31Å; I383-S385 PolarHBondContact O-N 2.67Å; I383-H386 PolarHBondContact O-N 3.39Å; I383-H386 VanDerWaalsContact O-N 3.13Å; I383-M387 HydrophobicContact CG2-CG 4.5Å; I383-M387 WeakPolarHBondContact O-CG 3.12Å; I383-M387 PolarHBondContact O-N 3.22Å
384	Q	75.5	Confident	70.8	Confident	104 Å²	104	97.6 Å²	97.6	49%	0.486	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-40.6	175.6	-72.7	-176.7	11	0	0	112.4	E380 H386 M387 Q388	E380-Q384 WeakPolarHBondContact O-CG 3.44Å; E380-Q384 PolarHBondContact O-N 2.91Å; Q384-H386 PolarHBondContact O-N 3.33Å; Q384-M387 HydrophobicContact CG-CE 4.16Å; Q384-M387 PolarHBondContact O-N 3.5Å; Q384-Q388 WeakPolarHBondContact O-CG 3.32Å; Q384-Q388 PolarHBondContact O-N 2.92Å
385	S	74.4	Confident	70.7	Confident	69 Å²	69	95.8 Å²	95.8	48%	0.483	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-39.8	174.6	-173	0	0	0	0	112.5	N381 Q382 I383 T389	N381-S385 WeakPolarHBondContact O-CB 3.22Å; N381-S385 PolarHBondContact O-N 3.32Å; Q382-S385 PolarHBondContact O-N 3.36Å; I383-S385 VanDerWaalsContact C-N 3.31Å; I383-S385 PolarHBondContact O-N 2.67Å; S385-T389 WeakPolarHBondContact O-CB 3.43Å; S385-T389 PolarHBondContact O-N 2.88Å; S385-T389 PolarHBondContact O-OG1 3.02Å
386	H	65.1	Low	70.6	Confident	79 Å²	79	95.4 Å²	95.4	37%	0.366	46%	0.457	S	S	.	.	H	α-helix	trans	-66.8	-43.3	172.8	-82.7	-72	0	0	0	112.5	Q382 I383 Q384 Q388 T389 I390	Q382-H386 PolarHBondContact O-CD2 3.47Å; Q382-H386 PolarHBondContact O-N 2.93Å; I383-H386 PolarHBondContact O-N 3.39Å; I383-H386 VanDerWaalsContact O-N 3.13Å; Q384-H386 PolarHBondContact O-N 3.33Å; H386-Q388 PolarHBondContact O-N 2.92Å; H386-T389 WeakPolarHBondContact O-CB 3.4Å; H386-T389 PolarHBondContact O-N 3.3Å; H386-T389 VanDerWaalsContact O-N 3.12Å; H386-I390 WeakPolarHBondContact O-CG1 3.38Å; H386-I390 PolarHBondContact O-N 2.85Å
387	M	66.6	Low	70.3	Confident	112 Å²	112	94.4 Å²	94.4	55%	0.552	45%	0.454	S	S	*	.	H	α-helix	trans	-59.9	-46.1	175.3	-68	-164.3	-60	0	0	112.1	I383 Q384 T389 I390 Q391	I383-M387 HydrophobicContact CG2-CG 4.5Å; I383-M387 WeakPolarHBondContact O-CG 3.12Å; I383-M387 PolarHBondContact O-N 3.22Å; Q384-M387 HydrophobicContact CG-CE 4.16Å; Q384-M387 PolarHBondContact O-N 3.5Å; M387-T389 PolarHBondContact O-N 2.99Å; M387-I390 PolarHBondContact O-N 3.49Å; M387-Q391 WeakPolarHBondContact O-CB 3.43Å; M387-Q391 PolarHBondContact O-N 2.98Å
388	Q	74	Confident	70	Confident	111 Å²	111	90.2 Å²	90.2	52%	0.519	45%	0.452	S	S	.	.	H	α-helix	trans	-61.4	-32.5	175	-71.7	179.8	14.2	0	0	112.7	Q384 H386 K392	Q384-Q388 WeakPolarHBondContact O-CG 3.32Å; Q384-Q388 PolarHBondContact O-N 2.92Å; H386-Q388 PolarHBondContact O-N 2.92Å; Q388-K392 WeakPolarHBondContact O-CG 3.42Å; Q388-K392 PolarHBondContact O-N 2.94Å; Q388-K392 VanDerWaalsContact O-N 3.1Å
389	T	68.9	Low	69.8	Low	51 Å²	51	90.3 Å²	90.3	31%	0.313	45%	0.447	S	S	.	.	H	α-helix	trans	-71	-44	175.8	-56.5	0	0	0	0	111.1	L247 S385 H386 M387 Q391 K392 L393	L247-T389 HydrophobicContact CD2-CG2 4.19Å; S385-T389 WeakPolarHBondContact O-CB 3.43Å; S385-T389 PolarHBondContact O-N 2.88Å; S385-T389 PolarHBondContact O-OG1 3.02Å; H386-T389 WeakPolarHBondContact O-CB 3.4Å; H386-T389 PolarHBondContact O-N 3.3Å; H386-T389 VanDerWaalsContact O-N 3.12Å; M387-T389 PolarHBondContact O-N 2.99Å; T389-Q391 VanDerWaalsContact C-N 3.35Å; T389-K392 PolarHBondContact O-N 2.85Å; T389-L393 HydrophobicContact CG2-CD1 4.45Å; T389-L393 WeakPolarHBondContact O-CG 3.45Å; T389-L393 PolarHBondContact O-N 3.43Å
390	I	65.7	Low	69.3	Low	69 Å²	69	87.7 Å²	87.7	35%	0.354	43%	0.433	S	S	.	.	H	α-helix	trans	-63.1	-41.3	175.5	-67.7	164.2	0	0	0	110.9	H386 M387 L393 K394	H386-I390 WeakPolarHBondContact O-CG1 3.38Å; H386-I390 PolarHBondContact O-N 2.85Å; M387-I390 PolarHBondContact O-N 3.49Å; I390-L393 PolarHBondContact O-N 2.92Å; I390-K394 PolarHBondContact O-N 3.18Å
391	Q	72.3	Confident	69.2	Low	118 Å²	118	86.4 Å²	86.4	55%	0.551	43%	0.431	S	S	*	.	H	α-helix	trans	-62.8	-46.3	177.1	-174.1	172.6	-6.7	0	0	111.8	M387 T389 L393 K394 E395	M387-Q391 WeakPolarHBondContact O-CB 3.43Å; M387-Q391 PolarHBondContact O-N 2.98Å; T389-Q391 VanDerWaalsContact C-N 3.35Å; Q391-L393 VanDerWaalsContact C-N 3.29Å; Q391-L393 PolarHBondContact O-N 3.36Å; Q391-K394 PolarHBondContact O-N 2.86Å; Q391-K394 VanDerWaalsContact O-N 3.14Å; Q391-E395 WeakPolarHBondContact O-CG 3.44Å; Q391-E395 PolarHBondContact O-N 3.4Å
392	K	73.8	Confident	68.8	Low	132 Å²	132	84 Å²	84	57%	0.574	43%	0.425	S	S	*	.	H	α-helix	trans	-60.3	-36.1	173.4	-75.1	171.5	-179.1	173.3	0	113	Q388 T389 E395 E396	Q388-K392 WeakPolarHBondContact O-CG 3.42Å; Q388-K392 PolarHBondContact O-N 2.94Å; Q388-K392 VanDerWaalsContact O-N 3.1Å; T389-K392 PolarHBondContact O-N 2.85Å; K392-E395 PolarHBondContact O-N 2.97Å; K392-E396 PolarHBondContact O-N 2.87Å
393	L	60.8	Low	68.4	Low	53 Å²	53	83 Å²	83	28%	0.277	42%	0.421	S	S	.	.	H	α-helix	trans	-68.6	-38.3	174.4	-72.6	171.1	0	0	0	112.2	L247 T389 I390 Q391 E396 Q397	L247-L393 HydrophobicContact CD2-CD1 4.27Å; T389-L393 HydrophobicContact CG2-CD1 4.45Å; T389-L393 WeakPolarHBondContact O-CG 3.45Å; T389-L393 PolarHBondContact O-N 3.43Å; I390-L393 PolarHBondContact O-N 2.92Å; Q391-L393 VanDerWaalsContact C-N 3.29Å; Q391-L393 PolarHBondContact O-N 3.36Å; L393-E396 PolarHBondContact O-N 3.19Å; L393-Q397 VanDerWaalsContact O-CB 3.3Å; L393-Q397 WeakPolarHBondContact O-CB 3.36Å; L393-Q397 PolarHBondContact O-N 3.24Å
394	K	67.5	Low	68.3	Low	146 Å²	146	81.7 Å²	81.7	64%	0.635	41%	0.412	S	S	*	.	H	α-helix	trans	-64.1	-40.1	171.4	-73.4	-173	175.6	-173	0	112	I390 Q391 Q397 G398	I390-K394 PolarHBondContact O-N 3.18Å; Q391-K394 PolarHBondContact O-N 2.86Å; Q391-K394 VanDerWaalsContact O-N 3.14Å; K394-Q397 PolarHBondContact O-N 3.29Å; K394-G398 PolarHBondContact O-N 3.5Å
395	E	71.6	Confident	68	Low	88 Å²	88	80.8 Å²	80.8	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-63.5	-45.4	175.2	-72.7	171.9	-153.2	0	0	112.2	Q391 K392 G398 R399	Q391-E395 WeakPolarHBondContact O-CG 3.44Å; Q391-E395 PolarHBondContact O-N 3.4Å; K392-E395 PolarHBondContact O-N 2.97Å; E395-G398 PolarHBondContact O-N 3.36Å; E395-R399 VanDerWaalsContact O-CG 3.32Å; E395-R399 WeakPolarHBondContact O-CG 3.41Å; E395-R399 PolarHBondContact O-N 3Å
396	E	65.4	Low	67.9	Low	56 Å²	56	82.7 Å²	82.7	26%	0.262	41%	0.412	S	S	.	.	H	α-helix	trans	-67.5	-35.5	174.5	-74.9	-64	126	0	0	112.4	K392 L393 R399 L400	K392-E396 PolarHBondContact O-N 2.87Å; L393-E396 PolarHBondContact O-N 3.19Å; E396-R399 PolarHBondContact O-N 3.23Å; E396-R399 VanDerWaalsContact OE1-CD 3.22Å; E396-R399 WeakPolarHBondContact OE1-CD 3.27Å; E396-R399 IonicContact OE1-CZ 2.69Å; E396-R399 IonicContact OE1-NE 2.68Å; E396-R399 IonicContact OE1-NH1 3.24Å; E396-R399 PolarHBondContact OE1-NH1 2.9Å; E396-L400 WeakPolarHBondContact O-CB 3.28Å; E396-L400 WeakPolarHBondContact O-CG 3.31Å; E396-L400 PolarHBondContact O-N 3.05Å
397	Q	63.2	Low	67.9	Low	89 Å²	89	80 Å²	80	42%	0.416	40%	0.4	S	S	.	.	H	α-helix	trans	-61.4	-45.5	172	-173.8	-179.6	6.7	0	0	111.1	L393 K394 R399 L400 V401	L393-Q397 VanDerWaalsContact O-CB 3.3Å; L393-Q397 WeakPolarHBondContact O-CB 3.36Å; L393-Q397 PolarHBondContact O-N 3.24Å; K394-Q397 PolarHBondContact O-N 3.29Å; Q397-R399 VanDerWaalsContact C-N 3.34Å; Q397-R399 PolarHBondContact O-N 3.09Å; Q397-L400 PolarHBondContact O-N 2.98Å; Q397-V401 WeakPolarHBondContact O-CG2 3.48Å; Q397-V401 PolarHBondContact O-N 3.09Å
398	G	68.8	Low	68	Low	43 Å²	43	79 Å²	79	44%	0.443	40%	0.396	S	S	.	.	H	α-helix	trans	-60	-41.3	174.2	0	0	0	0	0	112.7	K394 E395 V401 A402	K394-G398 PolarHBondContact O-N 3.5Å; E395-G398 PolarHBondContact O-N 3.36Å; G398-V401 PolarHBondContact O-N 3.46Å; G398-A402 WeakPolarHBondContact O-CB 3.44Å; G398-A402 PolarHBondContact O-N 3.45Å
399	R	70.3	Confident	67.8	Low	126 Å²	126	79.6 Å²	79.6	48%	0.475	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-41	173.5	-70.7	166.5	-177.4	179.4	4.1	112.2	E395 E396 Q397 A402 M403	E395-R399 VanDerWaalsContact O-CG 3.32Å; E395-R399 WeakPolarHBondContact O-CG 3.41Å; E395-R399 PolarHBondContact O-N 3Å; E396-R399 PolarHBondContact O-N 3.23Å; E396-R399 VanDerWaalsContact OE1-CD 3.22Å; E396-R399 WeakPolarHBondContact OE1-CD 3.27Å; E396-R399 IonicContact OE1-CZ 2.69Å; E396-R399 IonicContact OE1-NE 2.68Å; E396-R399 IonicContact OE1-NH1 3.24Å; E396-R399 PolarHBondContact OE1-NH1 2.9Å; Q397-R399 VanDerWaalsContact C-N 3.34Å; Q397-R399 PolarHBondContact O-N 3.09Å; R399-A402 PolarHBondContact O-N 3.35Å; R399-M403 WeakPolarHBondContact O-CB 3.42Å; R399-M403 PolarHBondContact O-N 2.86Å
400	L	60.4	Low	67.7	Low	49 Å²	49	82.3 Å²	82.3	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-65.8	-42.5	175.8	-74.7	172.8	0	0	0	111.9	L254 L314 E396 Q397 M403 K404	L254-L400 HydrophobicContact CD1-CD1 3.94Å; L314-L400 HydrophobicContact CD2-CD2 4.07Å; E396-L400 WeakPolarHBondContact O-CB 3.28Å; E396-L400 WeakPolarHBondContact O-CG 3.31Å; E396-L400 PolarHBondContact O-N 3.05Å; Q397-L400 PolarHBondContact O-N 2.98Å; L400-M403 PolarHBondContact O-N 3.24Å; L400-K404 VanDerWaalsContact O-CB 3.28Å; L400-K404 WeakPolarHBondContact O-CB 3.4Å; L400-K404 PolarHBondContact O-N 3.16Å
401	V	65.9	Low	67.9	Low	55 Å²	55	80.7 Å²	80.7	33%	0.333	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-43.8	175.4	172.6	0	0	0	0	111.1	Q397 G398 M403 K404 N405	Q397-V401 WeakPolarHBondContact O-CG2 3.48Å; Q397-V401 PolarHBondContact O-N 3.09Å; G398-V401 PolarHBondContact O-N 3.46Å; V401-M403 VanDerWaalsContact C-N 3.28Å; V401-M403 PolarHBondContact O-N 2.84Å; V401-K404 WeakPolarHBondContact O-CB 3.45Å; V401-K404 PolarHBondContact O-N 3.41Å; V401-N405 VanDerWaalsContact O-CG 3.26Å; V401-N405 PolarHBondContact O-N 2.88Å; V401-N405 PolarHBondContact O-OD1 3.19Å
402	A	69.6	Low	67.6	Low	50 Å²	50	77.3 Å²	77.3	41%	0.413	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-38.5	173.7	0	0	0	0	0	112.2	G398 R399 N405 Q406	G398-A402 WeakPolarHBondContact O-CB 3.44Å; G398-A402 PolarHBondContact O-N 3.45Å; R399-A402 PolarHBondContact O-N 3.35Å; A402-N405 PolarHBondContact O-N 3Å; A402-Q406 WeakPolarHBondContact O-CG 3.37Å; A402-Q406 PolarHBondContact O-N 3.11Å
403	M	66.7	Low	67.3	Low	54 Å²	54	72.9 Å²	72.9	27%	0.266	38%	0.382	S	S	.	.	H	α-helix	trans	-75.4	-33.8	178.7	-146.1	173.4	-43	0	0	113	L261 K265 R399 L400 V401 N405 Q406 L407	L261-M403 HydrophobicContact CD2-CG 4.44Å; L261-M403 HydrophobicContact CD2-SD 3.5Å; L261-M403 VanDerWaalsContact CD2-SD 3.5Å; K265-M403 PolarHBondContact NZ-SD 3.41Å; R399-M403 WeakPolarHBondContact O-CB 3.42Å; R399-M403 PolarHBondContact O-N 2.86Å; L400-M403 PolarHBondContact O-N 3.24Å; V401-M403 VanDerWaalsContact C-N 3.28Å; V401-M403 PolarHBondContact O-N 2.84Å; M403-N405 VanDerWaalsContact C-N 3.35Å; M403-Q406 PolarHBondContact O-N 3.4Å; M403-L407 WeakPolarHBondContact O-CG 3.17Å; M403-L407 PolarHBondContact O-N 2.77Å
404	K	67.2	Low	67.4	Low	62 Å²	62	72.5 Å²	72.5	27%	0.27	39%	0.387	S	S	.	.	H	α-helix	trans	-58.8	-45.5	168.7	-179.7	179.2	177.8	178.7	0	110	E318 L400 V401 L407 L408	E318-K404 VanDerWaalsContact CD-NZ 3.29Å; E318-K404 IonicContact OE1-NZ 2.67Å; E318-K404 PolarHBondContact OE1-NZ 2.69Å; E318-K404 VanDerWaalsContact OE1-NZ 3.08Å; E318-K404 IonicContact OE2-NZ 2.63Å; E318-K404 PolarHBondContact OE2-NZ 3.25Å; L400-K404 VanDerWaalsContact O-CB 3.28Å; L400-K404 WeakPolarHBondContact O-CB 3.4Å; L400-K404 PolarHBondContact O-N 3.16Å; V401-K404 WeakPolarHBondContact O-CB 3.45Å; V401-K404 PolarHBondContact O-N 3.41Å; K404-L407 PolarHBondContact O-N 2.95Å; K404-L408 HydrophobicContact CG-CD1 4.45Å; K404-L408 WeakPolarHBondContact O-CG 3.43Å; K404-L408 PolarHBondContact O-N 2.66Å
405	N	69.9	Low	67.5	Low	84 Å²	84	69.2 Å²	69.2	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-67.7	-39.8	176.8	-66.5	-4.9	0	0	0	112.6	V401 A402 M403 L408 M409	V401-N405 VanDerWaalsContact O-CG 3.26Å; V401-N405 PolarHBondContact O-N 2.88Å; V401-N405 PolarHBondContact O-OD1 3.19Å; A402-N405 PolarHBondContact O-N 3Å; M403-N405 VanDerWaalsContact C-N 3.35Å; N405-L408 PolarHBondContact O-N 3.08Å; N405-M409 WeakPolarHBondContact O-CG 3.46Å; N405-M409 PolarHBondContact O-N 2.98Å
406	Q	72.9	Confident	67.4	Low	109 Å²	109	71.2 Å²	71.2	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-61.5	-41.7	171.9	-74.5	175.9	4.1	0	0	112.4	A402 M403 M409 L410	A402-Q406 WeakPolarHBondContact O-CG 3.37Å; A402-Q406 PolarHBondContact O-N 3.11Å; M403-Q406 PolarHBondContact O-N 3.4Å; Q406-M409 HydrophobicContact CG-CE 4.4Å; Q406-M409 PolarHBondContact O-N 2.97Å; Q406-L410 WeakPolarHBondContact O-CG 3.49Å; Q406-L410 PolarHBondContact O-N 2.86Å
407	L	64.6	Low	67.4	Low	24 Å²	24	75.1 Å²	75.1	13%	0.126	40%	0.401	C	S	.	.	H	α-helix	trans	-65.9	-38.9	175.3	-75.2	167.9	0	0	0	112.3	L261 M403 K404 L410 N411	L261-L407 HydrophobicContact CD1-CD1 4.26Å; M403-L407 WeakPolarHBondContact O-CG 3.17Å; M403-L407 PolarHBondContact O-N 2.77Å; K404-L407 PolarHBondContact O-N 2.95Å; L407-L410 PolarHBondContact O-N 2.8Å; L407-N411 WeakPolarHBondContact O-CB 3.43Å; L407-N411 PolarHBondContact O-N 2.74Å
408	L	69.3	Low	67.6	Low	90 Å²	90	75.2 Å²	75.2	47%	0.471	40%	0.402	S	S	.	.	H	α-helix	trans	-64.1	-42	174.8	-74	167.1	0	0	0	112.1	K404 N405 N411 S412	K404-L408 HydrophobicContact CG-CD1 4.45Å; K404-L408 WeakPolarHBondContact O-CG 3.43Å; K404-L408 PolarHBondContact O-N 2.66Å; N405-L408 PolarHBondContact O-N 3.08Å; L408-N411 PolarHBondContact O-N 3.16Å; L408-S412 WeakPolarHBondContact O-CB 3.37Å; L408-S412 PolarHBondContact O-N 2.97Å
409	M	68.6	Low	67.4	Low	124 Å²	124	75.5 Å²	75.5	61%	0.611	40%	0.4	S	S	*	.	H	α-helix	trans	-62.2	-42.7	172.6	-71.5	-166.7	-61.6	0	0	112	N405 Q406 S412 A413	N405-M409 WeakPolarHBondContact O-CG 3.46Å; N405-M409 PolarHBondContact O-N 2.98Å; Q406-M409 HydrophobicContact CG-CE 4.4Å; Q406-M409 PolarHBondContact O-N 2.97Å; M409-S412 PolarHBondContact O-N 2.93Å; M409-A413 WeakPolarHBondContact O-CB 3.31Å; M409-A413 PolarHBondContact O-N 3.47Å
410	L	68.2	Low	66.9	Low	108 Å²	108	72.3 Å²	72.3	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-66	-38.2	177	-72.8	169.8	0	0	0	112.5	Q406 L407 A414	Q406-L410 WeakPolarHBondContact O-CG 3.49Å; Q406-L410 PolarHBondContact O-N 2.86Å; L407-L410 PolarHBondContact O-N 2.8Å; L410-A414 WeakPolarHBondContact O-CB 3.41Å; L410-A414 PolarHBondContact O-N 2.73Å
411	N	68.2	Low	66.7	Low	34 Å²	34	74.9 Å²	74.9	18%	0.182	41%	0.408	C	S	.	.	H	α-helix	trans	-67.2	-43.3	174.2	-172.2	81.4	0	0	0	111.3	M307 L407 L408 A413 A414 E415	M307-N411 HydrophobicContact SD-CB 4.13Å; L407-N411 WeakPolarHBondContact O-CB 3.43Å; L407-N411 PolarHBondContact O-N 2.74Å; L408-N411 PolarHBondContact O-N 3.16Å; N411-A413 PolarHBondContact O-N 3.42Å; N411-A414 PolarHBondContact O-N 2.84Å; N411-E415 PolarHBondContact ND2-OE1 2.94Å; N411-E415 PolarHBondContact ND2-OE2 3.06Å; N411-E415 VanDerWaalsContact ND2-OE2 3.14Å; N411-E415 WeakPolarHBondContact O-CB 3.47Å; N411-E415 WeakPolarHBondContact O-CG 3.48Å; N411-E415 PolarHBondContact O-N 2.94Å
412	S	67.5	Low	66.6	Low	47 Å²	47	76.5 Å²	76.5	33%	0.329	42%	0.417	S	S	.	.	H	α-helix	trans	-62.2	-41.4	175.8	-171.8	0	0	0	0	111.9	L408 M409 E415 Q416	L408-S412 WeakPolarHBondContact O-CB 3.37Å; L408-S412 PolarHBondContact O-N 2.97Å; M409-S412 PolarHBondContact O-N 2.93Å; S412-E415 PolarHBondContact O-N 3.26Å; S412-Q416 WeakPolarHBondContact O-CB 3.42Å; S412-Q416 VanDerWaalsContact O-CG 3.29Å; S412-Q416 WeakPolarHBondContact O-CG 3.26Å; S412-Q416 PolarHBondContact O-N 3.35Å
413	A	67.2	Low	65.9	Low	39 Å²	39	81 Å²	81	32%	0.322	43%	0.43	S	S	.	.	H	α-helix	trans	-65	-38.7	174	0	0	0	0	0	112.5	M409 N411 Q416 Q417	M409-A413 WeakPolarHBondContact O-CB 3.31Å; M409-A413 PolarHBondContact O-N 3.47Å; N411-A413 PolarHBondContact O-N 3.42Å; A413-Q416 PolarHBondContact O-N 3.31Å; A413-Q417 WeakPolarHBondContact O-CG 3.42Å; A413-Q417 PolarHBondContact O-N 3.09Å
414	A	62.5	Low	65.1	Low	46 Å²	46	79.9 Å²	79.9	38%	0.38	43%	0.432	S	S	.	.	H	α-helix	trans	-67.7	-38.4	174.9	0	0	0	0	0	112.3	L410 N411 Q417 Q418	L410-A414 WeakPolarHBondContact O-CB 3.41Å; L410-A414 PolarHBondContact O-N 2.73Å; N411-A414 PolarHBondContact O-N 2.84Å; A414-Q417 PolarHBondContact O-N 2.88Å; A414-Q418 WeakPolarHBondContact O-CB 3.29Å; A414-Q418 PolarHBondContact O-N 2.85Å
415	E	69	Low	64.2	Low	76 Å²	76	81.4 Å²	81.4	36%	0.355	44%	0.443	S	S	.	.	H	α-helix	trans	-70.4	-36	175.5	-74.7	171.7	173.3	0	0	111.9	K304 N411 S412 Q418 A419	K304-E415 IonicContact NZ-OE1 3.97Å; K304-E415 PolarHBondContact NZ-OE1 3.41Å; N411-E415 PolarHBondContact ND2-OE1 2.94Å; N411-E415 PolarHBondContact ND2-OE2 3.06Å; N411-E415 VanDerWaalsContact ND2-OE2 3.14Å; N411-E415 WeakPolarHBondContact O-CB 3.47Å; N411-E415 WeakPolarHBondContact O-CG 3.48Å; N411-E415 PolarHBondContact O-N 2.94Å; S412-E415 PolarHBondContact O-N 3.26Å; E415-Q418 PolarHBondContact O-N 2.98Å; E415-A419 VanDerWaalsContact O-CB 3.31Å; E415-A419 WeakPolarHBondContact O-CB 3.25Å; E415-A419 PolarHBondContact O-N 2.92Å
416	Q	70.6	Confident	63	Low	131 Å²	131	81 Å²	81	61%	0.612	45%	0.451	S	S	*	.	H	α-helix	trans	-64.9	-41.3	169.6	-74.5	174.5	12.1	0	0	112.1	S412 A413 A419 A420	S412-Q416 WeakPolarHBondContact O-CB 3.42Å; S412-Q416 VanDerWaalsContact O-CG 3.29Å; S412-Q416 WeakPolarHBondContact O-CG 3.26Å; S412-Q416 PolarHBondContact O-N 3.35Å; A413-Q416 PolarHBondContact O-N 3.31Å; Q416-A419 PolarHBondContact O-N 3.36Å; Q416-A420 VanDerWaalsContact O-CB 3.29Å; Q416-A420 WeakPolarHBondContact O-CB 3.21Å; Q416-A420 PolarHBondContact O-N 3.32Å
417	Q	65.2	Low	61.3	Low	137 Å²	137	78.7 Å²	78.7	64%	0.64	45%	0.45	S	S	*	.	H	α-helix	trans	-63.9	-41	173	-76.5	179.6	1.6	0	0	111.8	A413 A414 Y421	A413-Q417 WeakPolarHBondContact O-CG 3.42Å; A413-Q417 PolarHBondContact O-N 3.09Å; A414-Q417 PolarHBondContact O-N 2.88Å; Q417-Y421 VanDerWaalsContact O-CB 3.28Å; Q417-Y421 WeakPolarHBondContact O-CB 3.3Å; Q417-Y421 PolarHBondContact O-N 3.39Å
418	Q	66.2	Low	60	Low	91 Å²	91	83.6 Å²	83.6	43%	0.425	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-41.9	176.7	-171.2	172.6	8.5	0	0	111.6	A414 E415 Y421 V422	A414-Q418 WeakPolarHBondContact O-CB 3.29Å; A414-Q418 PolarHBondContact O-N 2.85Å; E415-Q418 PolarHBondContact O-N 2.98Å; Q418-Y421 PolarHBondContact O-N 3.46Å; Q418-V422 WeakPolarHBondContact O-CG2 3.26Å; Q418-V422 PolarHBondContact O-N 3.33Å
419	A	65.1	Low	58.5	Low	50 Å²	50	86 Å²	86	41%	0.413	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-50.9	174.7	0	0	0	0	0	111.5	E415 Q416 Y421 V422 E423	E415-A419 VanDerWaalsContact O-CB 3.31Å; E415-A419 WeakPolarHBondContact O-CB 3.25Å; E415-A419 PolarHBondContact O-N 2.92Å; Q416-A419 PolarHBondContact O-N 3.36Å; A419-Y421 VanDerWaalsContact C-N 3.27Å; A419-Y421 PolarHBondContact O-N 3.43Å; A419-V422 PolarHBondContact O-N 3.35Å; A419-V422 VanDerWaalsContact O-N 3.11Å; A419-E423 WeakPolarHBondContact O-CG 3.43Å; A419-E423 PolarHBondContact O-N 3.2Å
420	A	59.9	Low	56.7	Low	59 Å²	59	85.8 Å²	85.8	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-31.9	178.6	0	0	0	0	0	113	Q416 G424	Q416-A420 VanDerWaalsContact O-CB 3.29Å; Q416-A420 WeakPolarHBondContact O-CB 3.21Å; Q416-A420 PolarHBondContact O-N 3.32Å; A420-G424 PolarHBondContact O-N 3Å
421	Y	56.1	Low	55.3	Low	103 Å²	103	92 Å²	92	40%	0.404	52%	0.524	S	S	.	.	H	α-helix	trans	-70.3	-42.2	173.3	-169.2	-104.1	0	0	0	111.8	Q417 Q418 A419 G424 L425	Q417-Y421 VanDerWaalsContact O-CB 3.28Å; Q417-Y421 WeakPolarHBondContact O-CB 3.3Å; Q417-Y421 PolarHBondContact O-N 3.39Å; Q418-Y421 PolarHBondContact O-N 3.46Å; A419-Y421 VanDerWaalsContact C-N 3.27Å; A419-Y421 PolarHBondContact O-N 3.43Å; Y421-G424 PolarHBondContact O-N 3.12Å; Y421-L425 HydrophobicContact CD1-CD1 3.89Å; Y421-L425 HydrophobicContact CE1-CD1 3.62Å; Y421-L425 HydrophobicContact CE1-CG 4.41Å; Y421-L425 WeakPolarHBondContact O-CG 3.44Å; Y421-L425 PolarHBondContact O-N 2.96Å
422	V	63.3	Low	53.8	Low	88 Å²	88	93.4 Å²	93.4	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-67.3	-42.3	175.9	170.6	0	0	0	0	111.8	Q418 A419 G424 L425 A426	Q418-V422 WeakPolarHBondContact O-CG2 3.26Å; Q418-V422 PolarHBondContact O-N 3.33Å; A419-V422 PolarHBondContact O-N 3.35Å; A419-V422 VanDerWaalsContact O-N 3.11Å; V422-G424 VanDerWaalsContact C-N 3.35Å; V422-L425 PolarHBondContact O-N 3.46Å; V422-A426 WeakPolarHBondContact O-CB 3.5Å; V422-A426 PolarHBondContact O-N 2.87Å
423	E	55.2	Low	52.5	Low	145 Å²	145	95.6 Å²	95.6	68%	0.678	54%	0.544	S	S	*	.	H	α-helix	trans	-64.6	-39	173	-71.1	-174.5	152.7	0	0	111.8	A419 L425 A426 A427	A419-E423 WeakPolarHBondContact O-CG 3.43Å; A419-E423 PolarHBondContact O-N 3.2Å; E423-L425 VanDerWaalsContact C-N 3.3Å; E423-L425 PolarHBondContact O-N 2.91Å; E423-A426 PolarHBondContact O-N 2.82Å; E423-A426 VanDerWaalsContact O-N 3.16Å; E423-A427 PolarHBondContact O-N 3.37Å
424	G	50.3	Low	51.3	Low	30 Å²	30	103.3 Å²	103.3	31%	0.309	57%	0.57	S	S	.	*	H	α-helix	trans	-63.4	-31.7	174.4	0	0	0	0	0	113.9	A420 Y421 V422	A420-G424 PolarHBondContact O-N 3Å; Y421-G424 PolarHBondContact O-N 3.12Å; V422-G424 VanDerWaalsContact C-N 3.35Å
425	L	47.9	Very low	50.3	Low	95 Å²	95	108.6 Å²	108.6	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-78.5	-30.6	171.5	-71.8	171.3	0	0	0	112.9	Y421 V422 E423 A427	Y421-L425 HydrophobicContact CD1-CD1 3.89Å; Y421-L425 HydrophobicContact CE1-CD1 3.62Å; Y421-L425 HydrophobicContact CE1-CG 4.41Å; Y421-L425 WeakPolarHBondContact O-CG 3.44Å; Y421-L425 PolarHBondContact O-N 2.96Å; V422-L425 PolarHBondContact O-N 3.46Å; E423-L425 VanDerWaalsContact C-N 3.3Å; E423-L425 PolarHBondContact O-N 2.91Å; L425-A427 VanDerWaalsContact C-N 3.35Å
426	A	45.7	Very low	48.8	Very low	76 Å²	76	109.2 Å²	109.2	63%	0.628	59%	0.591	S	S	*	*	H	α-helix	trans	-78.1	-16.2	178.1	0	0	0	0	0	113.8	V422 E423 P428	V422-A426 WeakPolarHBondContact O-CB 3.5Å; V422-A426 PolarHBondContact O-N 2.87Å; E423-A426 PolarHBondContact O-N 2.82Å; E423-A426 VanDerWaalsContact O-N 3.16Å; A426-P428 WeakPolarHBondContact O-CD 3.2Å
427	A	37.9	Very low	47.1	Very low	59 Å²	59	106.1 Å²	106.1	49%	0.488	59%	0.594	S	S	.	*	S	Bend	trans	-71.3	118.9	-178.8	0	0	0	0	0	112.2	E423 L425 N429	E423-A427 PolarHBondContact O-N 3.37Å; L425-A427 VanDerWaalsContact C-N 3.35Å; A427-N429 VanDerWaalsContact C-N 3.26Å; A427-N429 PolarHBondContact O-N 2.8Å
428	P	35.5	Very low	45.6	Very low	128 Å²	128	106.2 Å²	106.2	83%	0.831	60%	0.599	S	S	*	*	S	Bend	trans	-79.7	65	-174.3	33.3	-36.9	0	0	0	112.9	A426	A426-P428 WeakPolarHBondContact O-CD 3.2Å
429	N	39.4	Very low	43.9	Very low	140 Å²	140	110.3 Å²	110.3	75%	0.749	62%	0.616	S	S	*	*			trans	-152.7	79.4	169	-98.8	-55.4	0	0	0	111	A427 R431	A427-N429 VanDerWaalsContact C-N 3.26Å; A427-N429 PolarHBondContact O-N 2.8Å; N429-R431 PolarHBondContact O-N 3.07Å
430	S	30.1	Very low	42.4	Very low	120 Å²	120	114.5 Å²	114.5	84%	0.839	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	54.6	-170.4	47.3	0	0	0	0	115.6
431	R	38.9	Very low	41.2	Very low	239 Å²	239	117.3 Å²	117.3	90%	0.902	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.2	-7.2	172.2	-74	-168.8	171.6	-175.4	-3.1	115.9	N429	N429-R431 PolarHBondContact O-N 3.07Å
432	S	37.4	Very low	40.2	Very low	63 Å²	63	115.6 Å²	115.6	44%	0.441	64%	0.643	S	S	.	*	S	Bend	trans	-84.4	-19.2	-177.8	49.8	0	0	0	0	115.1	K434 Q435 M436	S432-K434 VanDerWaalsContact C-N 3.32Å; S432-K434 PolarHBondContact O-N 3.21Å; S432-Q435 PolarHBondContact O-N 3.04Å; S432-M436 PolarHBondContact O-N 2.96Å
433	L	39	Very low	38.8	Very low	93 Å²	93	114.8 Å²	114.8	49%	0.487	65%	0.645	S	S	.	*	H	α-helix	trans	-55.3	-40.4	-175.7	-91.5	157.7	0	0	0	113.7	Q435 M436 G437	L433-Q435 PolarHBondContact O-N 2.97Å; L433-M436 PolarHBondContact O-N 3.18Å; L433-M436 VanDerWaalsContact O-N 3.15Å; L433-G437 PolarHBondContact O-N 3.36Å
434	K	42.8	Very low	37.8	Very low	200 Å²	200	115.5 Å²	115.5	87%	0.87	65%	0.647	S	S	*	*	H	α-helix	trans	-68.8	-9.6	175.6	-73.2	-166.1	174	-172.2	0	114.7	S432	S432-K434 VanDerWaalsContact C-N 3.32Å; S432-K434 PolarHBondContact O-N 3.21Å
435	Q	41.9	Very low	36.9	Very low	158 Å²	158	115.9 Å²	115.9	74%	0.738	65%	0.65	S	S	*	*	H	α-helix	trans	-94.8	-27.8	169.8	-70	-173.4	-21.2	0	0	112.7	S432 L433 G437 N438	S432-Q435 PolarHBondContact O-N 3.04Å; L433-Q435 PolarHBondContact O-N 2.97Å; Q435-G437 VanDerWaalsContact C-N 3.29Å; Q435-G437 PolarHBondContact O-N 2.94Å; Q435-N438 PolarHBondContact O-N 3.41Å
436	M	35.8	Very low	36.2	Very low	89 Å²	89	113.1 Å²	113.1	44%	0.438	65%	0.645	S	S	.	*	H	α-helix	trans	-71.5	-22.9	174.6	-63.1	-138.2	-64.9	0	0	113.1	S432 L433 N438 F439	S432-M436 PolarHBondContact O-N 2.96Å; L433-M436 PolarHBondContact O-N 3.18Å; L433-M436 VanDerWaalsContact O-N 3.15Å; M436-N438 PolarHBondContact O-N 3.35Å; M436-N438 VanDerWaalsContact O-N 3.07Å; M436-F439 PolarHBondContact O-N 2.87Å; M436-F439 VanDerWaalsContact O-N 3.08Å
437	G	35.1	Very low	35.5	Very low	66 Å²	66	115.9 Å²	115.9	68%	0.68	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-17.7	171.3	0	0	0	0	0	115	L433 Q435	L433-G437 PolarHBondContact O-N 3.36Å; Q435-G437 VanDerWaalsContact C-N 3.29Å; Q435-G437 PolarHBondContact O-N 2.94Å
438	N	35.4	Very low	35.4	Very low	138 Å²	138	120.7 Å²	120.7	74%	0.738	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	3.8	177.2	-74.8	-11.2	0	0	0	114.4	Q435 M436 Q440	Q435-N438 PolarHBondContact O-N 3.41Å; M436-N438 PolarHBondContact O-N 3.35Å; M436-N438 VanDerWaalsContact O-N 3.07Å; N438-Q440 VanDerWaalsContact C-N 3.27Å; N438-Q440 PolarHBondContact O-N 3.36Å
439	F	30.4	Very low	35.2	Very low	178 Å²	178	120.2 Å²	120.2	78%	0.781	65%	0.646	S	S	*	*			trans	-73	82.5	166.4	-96.7	-84.3	0	0	0	110.3	M436	M436-F439 PolarHBondContact O-N 2.87Å; M436-F439 VanDerWaalsContact O-N 3.08Å
440	Q	33.4	Very low	34.9	Very low	137 Å²	137	117.4 Å²	117.4	64%	0.64	64%	0.637	S	S	*	*			trans	-57.9	138.3	174.9	-74.9	-164.7	-20.6	0	0	111.7	N438 S442	N438-Q440 VanDerWaalsContact C-N 3.27Å; N438-Q440 PolarHBondContact O-N 3.36Å; Q440-S442 WeakPolarHBondContact CB-OG 3.27Å; Q440-S442 PolarHBondContact O-N 3.16Å; Q440-S442 PolarHBondContact OE1-OG 2.61Å
441	P	34.3	Very low	35.1	Very low	119 Å²	119	116.4 Å²	116.4	77%	0.773	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-8.8	167.3	-23.4	34.5	0	0	0	114.7	A443 F444 G445	P441-A443 PolarHBondContact O-N 2.84Å; P441-F444 PolarHBondContact O-N 2.74Å; P441-F444 VanDerWaalsContact O-N 3.14Å; P441-G445 PolarHBondContact O-N 3.48Å
442	S	35.3	Very low	34.9	Very low	67 Å²	67	108.4 Å²	108.4	47%	0.469	61%	0.607	S	S	.	*	H	α-helix	trans	-58.6	-28	-175.6	59.9	0	0	0	0	113.8	Q440 F444 G445 G446	Q440-S442 WeakPolarHBondContact CB-OG 3.27Å; Q440-S442 PolarHBondContact O-N 3.16Å; Q440-S442 PolarHBondContact OE1-OG 2.61Å; S442-F444 VanDerWaalsContact C-N 3.31Å; S442-F444 PolarHBondContact O-N 3.47Å; S442-G445 PolarHBondContact O-N 3.39Å; S442-G446 WeakPolarHBondContact O-CA 3.12Å; S442-G446 PolarHBondContact O-N 3.13Å
443	A	34	Very low	34.7	Very low	70 Å²	70	114.5 Å²	114.5	58%	0.579	62%	0.62	S	S	*	*	H	α-helix	trans	-62.3	-33.5	177	0	0	0	0	0	113.4	P441 M447	P441-A443 PolarHBondContact O-N 2.84Å; A443-M447 WeakPolarHBondContact O-CE 3.1Å
444	F	32.6	Very low	34.3	Very low	160 Å²	160	121.8 Å²	121.8	70%	0.702	64%	0.641	S	S	*	*	H	α-helix	trans	-86	-37.5	177.3	-104.2	-93.8	0	0	0	112.7	P441 S442	P441-F444 PolarHBondContact O-N 2.74Å; P441-F444 VanDerWaalsContact O-N 3.14Å; S442-F444 VanDerWaalsContact C-N 3.31Å; S442-F444 PolarHBondContact O-N 3.47Å
445	G	33.3	Very low	33.8	Very low	38 Å²	38	123.7 Å²	123.7	39%	0.392	64%	0.643	S	S	.	*	H	α-helix	trans	-69.1	-39.1	175.9	0	0	0	0	0	113.4	P441 S442 M447 Q448 E449	P441-G445 PolarHBondContact O-N 3.48Å; S442-G445 PolarHBondContact O-N 3.39Å; G445-M447 VanDerWaalsContact C-N 3.31Å; G445-M447 PolarHBondContact O-N 3.4Å; G445-Q448 PolarHBondContact O-N 3.37Å; G445-E449 PolarHBondContact O-N 2.94Å; G445-E449 VanDerWaalsContact O-N 3.16Å
446	G	32.7	Very low	33.1	Very low	38 Å²	38	121.5 Å²	121.5	39%	0.392	64%	0.642	S	S	.	*	H	α-helix	trans	-60.2	-34.1	-173.5	0	0	0	0	0	114.4	S442 S450	S442-G446 WeakPolarHBondContact O-CA 3.12Å; S442-G446 PolarHBondContact O-N 3.13Å; G446-S450 WeakPolarHBondContact O-CB 3.38Å; G446-S450 PolarHBondContact O-N 3.1Å; G446-S450 PolarHBondContact O-OG 3.29Å
447	M	31.3	Very low	33	Very low	134 Å²	134	123.7 Å²	123.7	66%	0.66	66%	0.661	S	S	*	*	H	α-helix	trans	-74	-25.7	176.5	-71.4	-172	-79.7	0	0	113.4	A443 G445	A443-M447 WeakPolarHBondContact O-CE 3.1Å; G445-M447 VanDerWaalsContact C-N 3.31Å; G445-M447 PolarHBondContact O-N 3.4Å
448	Q	34.2	Very low	32.6	Very low	160 Å²	160	128.9 Å²	128.9	75%	0.748	67%	0.665	S	S	*	*	H	α-helix	trans	-83.9	-38.5	-179.7	-156.3	169.9	33.5	0	0	112	G445	G445-Q448 PolarHBondContact O-N 3.37Å
449	E	32.9	Very low	32.5	Very low	118 Å²	118	129 Å²	129	55%	0.551	67%	0.67	S	S	*	*	H	α-helix	trans	-92.8	-31.9	-173	-168.6	167.6	-153.5	0	0	114.8	G445 L451 A452	G445-E449 PolarHBondContact O-N 2.94Å; G445-E449 VanDerWaalsContact O-N 3.16Å; E449-L451 VanDerWaalsContact C-N 3.27Å; E449-L451 PolarHBondContact O-N 3.41Å; E449-A452 VanDerWaalsContact O-CB 3.3Å; E449-A452 WeakPolarHBondContact O-CB 3.5Å; E449-A452 PolarHBondContact O-N 3.44Å
450	S	33.2	Very low	32.4	Very low	81 Å²	81	125 Å²	125	57%	0.566	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-56.2	-41.2	178.8	53.8	0	0	0	0	112.8	G446 A452	G446-S450 WeakPolarHBondContact O-CB 3.38Å; G446-S450 PolarHBondContact O-N 3.1Å; G446-S450 PolarHBondContact O-OG 3.29Å; S450-A452 PolarHBondContact O-N 3.49Å; S450-A452 VanDerWaalsContact O-N 3.15Å
451	L	32.8	Very low	32.3	Very low	99 Å²	99	123.3 Å²	123.3	52%	0.518	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-75.7	12.8	175	-67	166.6	0	0	0	114	E449 K551	E449-L451 VanDerWaalsContact C-N 3.27Å; E449-L451 PolarHBondContact O-N 3.41Å; L451-K551 HydrophobicContact CB-CD 4.16Å; L451-K551 HydrophobicContact CB-CG 4.32Å; L451-K551 WeakPolarHBondContact O-CD 3.39Å; L451-K551 WeakPolarHBondContact O-CE 3.34Å; L451-K551 PolarHBondContact O-NZ 2.9Å
452	A	34.5	Very low	32.2	Very low	70 Å²	70	123.8 Å²	123.8	58%	0.579	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-113.8	-18.6	178.4	0	0	0	0	0	113.8	E449 S450	E449-A452 VanDerWaalsContact O-CB 3.3Å; E449-A452 WeakPolarHBondContact O-CB 3.5Å; E449-A452 PolarHBondContact O-N 3.44Å; S450-A452 PolarHBondContact O-N 3.49Å; S450-A452 VanDerWaalsContact O-N 3.15Å
453	R	33.5	Very low	31.9	Very low	191 Å²	191	127.6 Å²	127.6	72%	0.721	68%	0.679	S	S	*	*	S	Bend	trans	-142.6	81.4	-172.5	-64.9	-173.6	-176.4	-169	6.1	114.4
454	R	32	Very low	31.9	Very low	246 Å²	246	129.3 Å²	129.3	93%	0.928	69%	0.687	S	S	*	*			trans	-166	108.4	148	-99.8	136.1	-160.7	-118.7	3.1	111.6
455	R	30.9	Very low	31.9	Very low	240 Å²	240	126.8 Å²	126.8	91%	0.906	69%	0.689	S	S	*	*			trans	-89.7	140.1	153.5	-79.5	-178	171.8	179	-2.7	107.5
456	P	28.5	Very low	31.9	Very low	112 Å²	112	130.2 Å²	130.2	73%	0.727	71%	0.713	S	S	*	*			trans	-76	141.1	-179.8	30.8	-34.5	0	0	0	111.7
457	V	33.8	Very low	32	Very low	136 Å²	136	131.5 Å²	131.5	82%	0.824	73%	0.727	S	S	*	*			trans	-132.8	111.7	161.6	178.3	0	0	0	0	106.8
458	F	25.5	Very low	32.4	Very low	175 Å²	175	132.8 Å²	132.8	77%	0.768	73%	0.734	S	S	*	*			trans	-77.2	124.9	174.7	-82.3	-98.1	0	0	0	110.3
459	V	33.4	Very low	32.4	Very low	139 Å²	139	129.4 Å²	129.4	84%	0.842	73%	0.729	S	S	*	*			trans	-137.9	138.8	149.9	-176.5	0	0	0	0	107.2
460	S	29.3	Very low	32.8	Very low	95 Å²	95	130.2 Å²	130.2	66%	0.664	74%	0.737	S	S	*	*			trans	-99.2	168.9	-167.1	-51.6	0	0	0	0	113.9
461	S	30	Very low	33.4	Very low	101 Å²	101	133.2 Å²	133.2	71%	0.706	75%	0.746	S	S	*	*			trans	90.4	123.4	136.2	-81	0	0	0	0	121.8
462	N	32.2	Very low	34.1	Very low	130 Å²	130	136 Å²	136	70%	0.695	76%	0.761	S	S	*	*			trans	90.4	94.7	134	-59.9	5.5	0	0	0	120.3
463	N	29.6	Very low	34.6	Very low	147 Å²	147	140 Å²	140	79%	0.786	77%	0.774	S	S	*	*				62.4	146.6	112.7	-61.5	5.5	0	0	0	122.8
464	S	33.5	Very low	34.9	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	77%	0.771	S	S	*	*			trans	99.4	93	146.1	-60.4	0	0	0	0	120.1
465	S	33.9	Very low	35.2	Very low	107 Å²	107	132.7 Å²	132.7	75%	0.748	77%	0.766	S	S	*	*				69	115.3	118.8	67.7	0	0	0	0	122.6
466	A	33.3	Very low	35.7	Very low	110 Å²	110	126.9 Å²	126.9	91%	0.909	75%	0.753	S	S	*	*				68.2	136.4	123.5	0	0	0	0	0	121.9
467	G	34	Very low	36.4	Very low	65 Å²	65	129 Å²	129	67%	0.67	75%	0.753	S	S	*	*			trans	161.5	102.3	151.9	0	0	0	0	0	118
468	I	38.9	Very low	36.7	Very low	160 Å²	160	127 Å²	127	82%	0.821	74%	0.741	S	S	*	*				59.3	84.6	127.1	-50.3	145.1	0	0	0	118.3
469	S	35.3	Very low	37.4	Very low	90 Å²	90	126.4 Å²	126.4	63%	0.629	74%	0.74	S	S	*	*				46.4	156.3	112.7	71.2	0	0	0	0	125.6
470	D	41.7	Very low	37.6	Very low	135 Å²	135	125.6 Å²	125.6	72%	0.722	73%	0.731	S	S	*	*			trans	99	146.5	144.1	-54.9	-38.3	0	0	0	123.4
471	D	45.3	Very low	38.1	Very low	144 Å²	144	127.2 Å²	127.2	77%	0.77	73%	0.732	S	S	*	*			trans	71.3	92.9	157.6	-55.1	-15.1	0	0	0	124.2
472	D	46.3	Very low	38.4	Very low	156 Å²	156	131 Å²	131	83%	0.834	74%	0.738	S	S	*	*				64.2	161.3	111	-77.4	-17.8	0	0	0	127
473	D	44.8	Very low	38.5	Very low	156 Å²	156	133.9 Å²	133.9	83%	0.834	75%	0.747	S	S	*	*			trans	91.1	109.6	155.6	-81.2	-24.4	0	0	0	125.1
474	S	40.3	Very low	39.3	Very low	95 Å²	95	132.6 Å²	132.6	66%	0.664	75%	0.747	S	S	*	*				79.2	112.3	127.5	-162.2	0	0	0	0	124.1
475	F	38.1	Very low	39.3	Very low	187 Å²	187	134 Å²	134	82%	0.82	75%	0.746	S	S	*	*				12.9	140	123.7	-73	-96.4	0	0	0	118.9
476	D	42.2	Very low	39.3	Very low	119 Å²	119	136.5 Å²	136.5	64%	0.636	75%	0.746	S	S	*	*				-172.4	158.6	62.1	-122.7	-15.3	0	0	0	116.4
477	H	42.5	Very low	39.2	Very low	157 Å²	157	135.3 Å²	135.3	73%	0.727	74%	0.736	S	S	*	*			trans	35.5	154.1	143.4	-72.4	-46.4	0	0	0	125.3
478	V	40.9	Very low	39.1	Very low	94 Å²	94	138.6 Å²	138.6	57%	0.57	74%	0.743	S	S	*	*			cis	-175.1	158.2	-20	75.8	0	0	0	0	111.1
479	E	39.8	Very low	38.7	Very low	161 Å²	161	136.4 Å²	136.4	75%	0.752	74%	0.737	S	S	*	*			trans	61.5	157.2	159.5	-77.9	148.7	-152.5	0	0	119.3
480	D	37.5	Very low	38.4	Very low	123 Å²	123	137.7 Å²	137.7	66%	0.658	74%	0.741	S	S	*	*			cis	-158.1	162	-1.5	-132.8	-8.2	0	0	0	116.1
481	L	39.8	Very low	38	Very low	128 Å²	128	142.7 Å²	142.7	67%	0.67	75%	0.749	S	S	*	*			trans	51.7	125.4	146.7	-71.5	163.2	0	0	0	126.4
482	Q	37.1	Very low	37.2	Very low	180 Å²	180	143 Å²	143	84%	0.841	75%	0.751	S	S	*	*				103.6	141.9	128.1	-89.4	172.8	-11.8	0	0	123.4
483	E	34.5	Very low	36.6	Very low	191 Å²	191	140.7 Å²	140.7	89%	0.893	75%	0.754	S	S	*	*			trans	-112.4	167.3	-159.9	-88	-175.5	125.5	0	0	115.4
484	P	45.1	Very low	35.9	Very low	120 Å²	120	137 Å²	137	78%	0.779	75%	0.752	S	S	*	*			trans	-99.5	178.2	-175.2	41	-37	0	0	0	114.4
485	D	33	Very low	35.4	Very low	135 Å²	135	140.6 Å²	140.6	72%	0.722	76%	0.759	S	S	*	*			trans	-155.7	160.6	160.5	-163.9	10.4	0	0	0	112.8
486	Q	34.8	Very low	35	Very low	161 Å²	161	140.4 Å²	140.4	75%	0.752	76%	0.758	S	S	*	*			trans	73.2	107.2	156.8	-84	165.9	70	0	0	122.1
487	A	31.5	Very low	34.5	Very low	84 Å²	84	141 Å²	141	69%	0.694	77%	0.765	S	S	*	*				114.9	124.7	101	0	0	0	0	0	122.7
488	V	31.5	Very low	33.8	Very low	135 Å²	135	138 Å²	138	82%	0.818	77%	0.767	S	S	*	*				94.3	115.3	118.9	159.9	0	0	0	0	123.6
489	V	31.6	Very low	33.5	Very low	113 Å²	113	139.6 Å²	139.6	69%	0.685	78%	0.78	S	S	*	*			trans	93.5	104.1	135.9	154.5	0	0	0	0	124.5
490	V	28.4	Very low	32.9	Very low	117 Å²	117	136.4 Å²	136.4	71%	0.709	78%	0.781	S	S	*	*				32.8	126.9	117.8	-176.1	0	0	0	0	120.7
491	R	33.3	Very low	32.4	Very low	240 Å²	240	134.6 Å²	134.6	91%	0.906	78%	0.783	S	S	*	*				-165.8	164.1	127.9	-110.5	170	-168.6	122.4	2.5	116.2
492	N	28.8	Very low	31.9	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	79%	0.793	S	S	*	*			trans	-97.1	166	-170.4	-71.4	-44.9	0	0	0	115
493	A	32.8	Very low	31.7	Very low	108 Å²	108	133.6 Å²	133.6	89%	0.893	79%	0.787	S	S	*	*			trans	80.6	148.5	143.9	0	0	0	0	0	119.7
494	G	31.1	Very low	31.6	Very low	78 Å²	78	130.3 Å²	130.3	80%	0.804	79%	0.785	S	S	*	*			trans	149.9	103.4	166.6	0	0	0	0	0	114.5
495	Q	30	Very low	30.9	Very low	171 Å²	171	129.8 Å²	129.8	80%	0.799	78%	0.784	S	S	*	*			trans	-59.1	160.3	175.9	-62.3	174.7	-20.2	0	0	115
496	K	29.6	Very low	31	Very low	184 Å²	184	126.4 Å²	126.4	80%	0.8	78%	0.781	S	S	*	*			trans	90.1	138.8	134.9	-98.6	172.7	179.2	175.9	0	121.3
497	V	31.3	Very low	30.8	Very low	131 Å²	131	128.2 Å²	128.2	79%	0.794	78%	0.782	S	S	*	*			trans	78	103	155.8	-178.8	0	0	0	0	118.7
498	A	28	Very low	30.9	Very low	93 Å²	93	133.7 Å²	133.7	77%	0.769	79%	0.785	S	S	*	*			trans	40.5	148	131.2	0	0	0	0	0	123
499	P	35.2	Very low	31	Very low	128 Å²	128	137.5 Å²	137.5	83%	0.831	79%	0.785	S	S	*	*			trans	-108	160.7	-160	41.1	-34.4	0	0	0	116
500	A	27.2	Very low	31	Very low	94 Å²	94	137.7 Å²	137.7	78%	0.777	78%	0.782	S	S	*	*			trans	-160.3	111.3	158.2	0	0	0	0	0	115.2
501	A	26.7	Very low	31	Very low	85 Å²	85	139.3 Å²	139.3	70%	0.702	79%	0.787	S	S	*	*			trans	61	171.8	136.3	0	0	0	0	0	123.2
502	F	29.4	Very low	31.1	Very low	202 Å²	202	131.3 Å²	131.3	89%	0.886	78%	0.779	S	S	*	*			trans	79.4	131.7	171.7	-60.7	-76.8	0	0	0	117.4
503	A	32.1	Very low	31.2	Very low	86 Å²	86	129.9 Å²	129.9	71%	0.711	78%	0.776	S	S	*	*			cis	-160.6	173.9	-4.3	0	0	0	0	0	113.7
504	S	32.2	Very low	31	Very low	122 Å²	122	133.4 Å²	133.4	85%	0.853	77%	0.774	S	S	*	*			trans	79.3	136.2	157.9	-158.3	0	0	0	0	118.3
505	S	31.3	Very low	31.1	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	78%	0.778	S	S	*	*			cis	-166.7	140.5	-19.1	177.2	0	0	0	0	112.2
506	G	33.9	Very low	31	Very low	64 Å²	64	137.8 Å²	137.8	66%	0.66	78%	0.783	S	S	*	*			trans	79.9	141.4	161	0	0	0	0	0	117.2
507	Y	30.7	Very low	31.1	Very low	198 Å²	198	132 Å²	132	78%	0.776	78%	0.776	S	S	*	*			cis	-152.3	136.7	3	-116.8	-98.7	0	0	0	110.5
508	R	33.4	Very low	31.1	Very low	200 Å²	200	133.1 Å²	133.1	76%	0.755	78%	0.777	S	S	*	*			trans	28.9	139	151.7	-57.9	179.5	-171.3	-168.8	2	119.7
509	R	33.3	Very low	31.3	Very low	215 Å²	215	135.6 Å²	135.6	81%	0.811	78%	0.777	S	S	*	*			cis	-174.7	175.6	3.2	-99.1	-175.4	171.5	172.8	-3.3	105.4
510	N	31.7	Very low	31	Very low	117 Å²	117	138 Å²	138	63%	0.626	78%	0.78	S	S	*	*			cis	-155.9	140	-4.1	-123.2	50.6	0	0	0	104.2
511	N	30	Very low	31.3	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	78%	0.779	S	S	*	*				70.7	127.3	73	-68.3	38.7	0	0	0	117
512	G	33.7	Very low	31.7	Very low	73 Å²	73	140 Å²	140	75%	0.753	78%	0.781	S	S	*	*			trans	105.1	91.2	179.9	0	0	0	0	0	112.3
513	V	30.8	Very low	32	Very low	120 Å²	120	139.9 Å²	139.9	73%	0.727	78%	0.775	S	S	*	*			cis	86.7	112.7	21	-175.5	0	0	0	0	115
514	E	29.3	Very low	32.1	Very low	182 Å²	182	146.3 Å²	146.3	85%	0.85	78%	0.781	S	S	*	*			trans	81	158.6	151.6	-81.2	165.6	172.9	0	0	124.4
515	E	33.5	Very low	32.1	Very low	191 Å²	191	145.1 Å²	145.1	89%	0.893	78%	0.779	S	S	*	*			trans	82.7	137.1	162.7	-78.8	-179.9	167.5	0	0	123.7
516	V	28.5	Very low	32.4	Very low	149 Å²	149	149.7 Å²	149.7	90%	0.903	79%	0.785	S	S	*	*			trans	-92.3	138	179.4	171.7	0	0	0	0	108.4
517	G	31.7	Very low	32.3	Very low	64 Å²	64	156.5 Å²	156.5	66%	0.66	80%	0.796	S	S	*	*			trans	170.1	98.6	169.5	0	0	0	0	0	115.9
518	D	29.7	Very low	32.5	Very low	153 Å²	153	156.6 Å²	156.6	82%	0.818	80%	0.804	S	S	*	*			trans	44	158.3	130.9	-70.9	-15.8	0	0	0	124.6
519	L	32.3	Very low	32.5	Very low	145 Å²	145	154.9 Å²	154.9	76%	0.759	80%	0.802	S	S	*	*			trans	76.4	99.8	155.8	-71.7	157.1	0	0	0	120.8
520	M	29.6	Very low	32.5	Very low	180 Å²	180	151.5 Å²	151.5	89%	0.887	80%	0.8	S	S	*	*				23.1	126.2	129.9	-60.5	-167.7	-75.4	0	0	120.6
521	G	33.6	Very low	32.4	Very low	75 Å²	75	151.8 Å²	151.8	77%	0.773	80%	0.801	S	S	*	*			trans	-169	66.5	171.4	0	0	0	0	0	122
522	I	35	Very low	32.6	Very low	145 Å²	145	151.6 Å²	151.6	74%	0.744	81%	0.805	S	S	*	*			trans	59.2	100.6	130.3	-61.4	172.9	0	0	0	121.2
523	R	35.1	Very low	32.2	Very low	200 Å²	200	152.1 Å²	152.1	76%	0.755	80%	0.802	S	S	*	*				67.3	142.4	124.3	-61.6	-177.6	-175.3	160	-2.3	125
524	R	34.2	Very low	32	Very low	220 Å²	220	155.6 Å²	155.6	83%	0.83	81%	0.811	S	S	*	*			trans	77.9	135.8	152.5	-68.8	155.5	179.4	178.9	-1.9	117.7
525	A	33.1	Very low	32.1	Very low	98 Å²	98	151.3 Å²	151.3	81%	0.81	81%	0.807	S	S	*	*			cis	113.9	108.4	-0.4	0	0	0	0	0	117.8
526	K	37.3	Very low	32	Very low	205 Å²	205	148.6 Å²	148.6	89%	0.891	80%	0.802	S	S	*	*			trans	-168.5	131.1	148.4	-101.6	177.2	178.8	-176.9	0	105.5
527	K	32.9	Very low	31.9	Very low	206 Å²	206	149.4 Å²	149.4	90%	0.896	80%	0.796	S	S	*	*			cis	69.4	91.7	42.2	-123.3	-164.5	-169.5	-170.4	0	114.1
528	Q	33.9	Very low	31.8	Very low	200 Å²	200	155.7 Å²	155.7	94%	0.935	81%	0.808	S	S	*	*			trans	-149.1	146.1	144	-160.5	159.7	-3.5	0	0	109.3
529	K	32.7	Very low	31.5	Very low	165 Å²	165	156.8 Å²	156.8	72%	0.717	81%	0.808	S	S	*	*			trans	-142.8	140.1	177.4	165.3	-176	174.8	-178.7	0	104.6
530	D	35	Very low	31.2	Very low	143 Å²	143	155.1 Å²	155.1	77%	0.765	81%	0.809	S	S	*	*			trans	-173.2	151.4	138.6	-93	-29.9	0	0	0	113.7
531	N	28.1	Very low	30.9	Very low	124 Å²	124	156.1 Å²	156.1	66%	0.663	81%	0.809	S	S	*	*			trans	-47.4	158.6	-178.2	-34.9	-56	0	0	0	116.7
532	V	34.4	Very low	30.9	Very low	145 Å²	145	162 Å²	162	88%	0.879	81%	0.813	S	S	*	*				-167.1	150.4	117.5	142.1	0	0	0	0	108.9
533	A	25	Very low	30.5	Very low	84 Å²	84	160.1 Å²	160.1	69%	0.694	81%	0.812	S	S	*	*			trans	-122.5	176.6	178.7	0	0	0	0	0	111.2
534	E	26.9	Very low	30.1	Very low	194 Å²	194	154.7 Å²	154.7	91%	0.907	81%	0.81	S	S	*	*			trans	62.5	116.4	173.2	-60.6	-175.2	108.8	0	0	118
535	A	31.4	Very low	29.9	Very low	92 Å²	92	146.8 Å²	146.8	76%	0.76	80%	0.797	S	S	*	*				-179.8	118.2	121.7	0	0	0	0	0	113.8
536	V	30.7	Very low	29.9	Very low	133 Å²	133	149 Å²	149	81%	0.806	80%	0.796	S	S	*	*			trans	58.3	129.3	135.5	-173.5	0	0	0	0	121.4
537	H	26.4	Very low	29.5	Very low	166 Å²	166	143.4 Å²	143.4	77%	0.769	79%	0.787	S	S	*	*			trans	-27.8	144.6	166.2	-52.7	-82.3	0	0	0	119.3
538	Q	30.8	Very low	29.6	Very low	196 Å²	196	140 Å²	140	92%	0.916	78%	0.784	S	S	*	*				-161.5	151.1	110.4	-106.7	170.7	27.4	0	0	112.6
539	H	23.8	Very low	29.4	Very low	177 Å²	177	133.2 Å²	133.2	82%	0.819	77%	0.767	S	S	*	*			trans	-77	137	-179.3	-77.6	-105.2	0	0	0	112.6
540	S	26.1	Very low	29.5	Very low	110 Å²	110	137 Å²	137	77%	0.769	78%	0.777	S	S	*	*			trans	-155.8	121.9	151.8	-157.2	0	0	0	0	111.1
541	F	23.6	Very low	29.3	Very low	201 Å²	201	136.6 Å²	136.6	88%	0.882	77%	0.768	S	S	*	*			trans	-73.6	124.4	173.1	-90.2	-106.5	0	0	0	110.2
542	K	31.8	Very low	29.4	Very low	199 Å²	199	133.6 Å²	133.6	87%	0.865	77%	0.766	S	S	*	*			trans	-142.4	136.5	163.6	-100.3	177.4	-178.8	175	0	111.7
543	S	27.4	Very low	29.2	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	75%	0.754	S	S	*	*			trans	-36.4	136.4	-175.2	-174.5	0	0	0	0	116.3	G545	S543-G545 VanDerWaalsContact C-N 3.33Å; S543-G545 PolarHBondContact OG-N 3.15Å
544	A	26.7	Very low	29.6	Very low	85 Å²	85	131.7 Å²	131.7	70%	0.702	75%	0.746	S	S	*	*	S	Bend	trans	-86.1	3.6	173.4	0	0	0	0	0	114.2	D546	A544-D546 VanDerWaalsContact C-N 3.3Å; A544-D546 PolarHBondContact O-N 2.84Å
545	G	30.4	Very low	30.2	Very low	54 Å²	54	127.3 Å²	127.3	56%	0.557	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-65.1	-21.9	-171.5	0	0	0	0	0	116.4	S543 A547	S543-G545 VanDerWaalsContact C-N 3.33Å; S543-G545 PolarHBondContact OG-N 3.15Å; G545-A547 VanDerWaalsContact C-N 3.34Å; G545-A547 PolarHBondContact O-N 3.39Å
546	D	31.8	Very low	30.4	Very low	146 Å²	146	128.2 Å²	128.2	78%	0.781	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-83.1	-1.2	-173.4	-76.6	-43.8	0	0	0	114.9	A544	A544-D546 VanDerWaalsContact C-N 3.3Å; A544-D546 PolarHBondContact O-N 2.84Å
547	A	30.8	Very low	30.7	Very low	86 Å²	86	127 Å²	127	71%	0.711	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-81.3	-24.4	-177.4	0	0	0	0	0	114.3	G545 G549	G545-A547 VanDerWaalsContact C-N 3.34Å; G545-A547 PolarHBondContact O-N 3.39Å; A547-G549 PolarHBondContact O-N 3.46Å
548	V	34.6	Very low	31.3	Very low	136 Å²	136	122.9 Å²	122.9	82%	0.824	71%	0.711	S	S	*	*	S	Bend	trans	-82.4	45.7	-168.3	-161	0	0	0	0	112.3
549	G	28.4	Very low	31.8	Very low	57 Å²	57	119.6 Å²	119.6	59%	0.588	71%	0.705	S	S	*	*			trans	-132.1	5.1	-162.6	0	0	0	0	0	117.5	A547	A547-G549 PolarHBondContact O-N 3.46Å
550	R	36.2	Very low	32.8	Very low	243 Å²	243	112.7 Å²	112.7	92%	0.917	68%	0.676	S	S	*	*			trans	-126.2	109.7	-179.3	-64.6	-168.2	-174.1	-159.4	4.7	112.8	G552	R550-G552 PolarHBondContact O-N 2.91Å
551	K	31	Very low	34.1	Very low	135 Å²	135	110.7 Å²	110.7	59%	0.587	66%	0.659	S	S	*	*			trans	-57.5	101.8	162.8	-85.2	179.2	167.8	145.6	0	110	L451	L451-K551 HydrophobicContact CB-CD 4.16Å; L451-K551 HydrophobicContact CB-CG 4.32Å; L451-K551 WeakPolarHBondContact O-CD 3.39Å; L451-K551 WeakPolarHBondContact O-CE 3.34Å; L451-K551 PolarHBondContact O-NZ 2.9Å
552	G	29.6	Very low	35.4	Very low	61 Å²	61	106.7 Å²	106.7	63%	0.629	65%	0.652	S	S	*	*			trans	-77.1	122.4	162.2	0	0	0	0	0	109.7	R550 L554	R550-G552 PolarHBondContact O-N 2.91Å; G552-L554 PolarHBondContact O-N 2.92Å
553	S	29.6	Very low	36.4	Very low	89 Å²	89	103.8 Å²	103.8	62%	0.622	64%	0.641	S	S	*	*			trans	-85	103.9	175	178.9	0	0	0	0	109.4	T555	S553-T555 PolarHBondContact O-N 3.23Å; S553-T555 PolarHBondContact OG-OG1 2.63Å
554	L	33.6	Very low	38.1	Very low	101 Å²	101	103.4 Å²	103.4	53%	0.529	63%	0.628	S	S	.	*			trans	-87.4	33.5	-177.8	-69.4	172.8	0	0	0	113.5	G552 N556 F557	G552-L554 PolarHBondContact O-N 2.92Å; L554-N556 VanDerWaalsContact C-N 3.33Å; L554-F557 HydrophobicContact CB-CE2 4.28Å; L554-F557 WeakPolarHBondContact O-CD2 3.5Å; L554-F557 VanDerWaalsContact O-CE2 3.3Å; L554-F557 WeakPolarHBondContact O-CE2 3.37Å
555	T	40.2	Very low	39.2	Very low	101 Å²	101	102 Å²	102	62%	0.62	61%	0.606	S	S	*	*			trans	-91.5	8.5	172.2	54.4	0	0	0	0	113.5	S553	S553-T555 PolarHBondContact O-N 3.23Å; S553-T555 PolarHBondContact OG-OG1 2.63Å
556	N	35.5	Very low	40.4	Very low	112 Å²	112	106.1 Å²	106.1	60%	0.599	61%	0.606	S	S	*	*			trans	-115.7	38	-171	-70.8	7.7	0	0	0	113.5	L554 G558	L554-N556 VanDerWaalsContact C-N 3.33Å; N556-G558 PolarHBondContact O-N 3.02Å; N556-G558 VanDerWaalsContact O-N 3.1Å
557	F	37.3	Very low	42	Very low	107 Å²	107	104.7 Å²	104.7	47%	0.469	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.6	-15.1	178.1	-83.5	-84	0	0	0	114.7	L554 T559	L554-F557 HydrophobicContact CB-CE2 4.28Å; L554-F557 WeakPolarHBondContact O-CD2 3.5Å; L554-F557 VanDerWaalsContact O-CE2 3.3Å; L554-F557 WeakPolarHBondContact O-CE2 3.37Å; F557-T559 VanDerWaalsContact C-N 3.35Å; F557-T559 PolarHBondContact O-N 2.67Å
558	G	38.3	Very low	43.4	Very low	79 Å²	79	105.3 Å²	105.3	81%	0.814	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	1	-177.2	0	0	0	0	0	117	N556	N556-G558 PolarHBondContact O-N 3.02Å; N556-G558 VanDerWaalsContact O-N 3.1Å
559	T	41.1	Very low	44.5	Very low	128 Å²	128	102.7 Å²	102.7	79%	0.785	56%	0.564	S	S	*	*	S	Bend	trans	-140.6	0.4	-174.5	62.6	0	0	0	0	116.6	F557	F557-T559 VanDerWaalsContact C-N 3.35Å; F557-T559 PolarHBondContact O-N 2.67Å
560	S	44.7	Very low	46.4	Very low	31 Å²	31	102.8 Å²	102.8	22%	0.217	55%	0.549	C	S	.	.			trans	-88.8	144.1	175.6	47.3	0	0	0	0	111.3	Q565	S560-Q565 WeakPolarHBondContact OG-CG 3.49Å; S560-Q565 PolarHBondContact OG-NE2 2.87Å
561	T	53.9	Low	47.9	Very low	68 Å²	68	97.9 Å²	97.9	42%	0.417	54%	0.537	S	S	.	.			trans	-73.2	157	171.1	59.8	0	0	0	0	110.6	E563 Q564 Q565	T561-E563 PolarHBondContact O-N 3.31Å; T561-Q564 WeakPolarHBondContact O-CB 3.45Å; T561-Q564 PolarHBondContact O-N 3.28Å; T561-Q564 WeakPolarHBondContact OG1-CG 3.04Å; T561-Q564 PolarHBondContact OG1-N 3Å; T561-Q565 PolarHBondContact O-N 3.35Å; T561-Q565 VanDerWaalsContact O-N 3.09Å
562	V	50.8	Low	49	Very low	118 Å²	118	95 Å²	95	72%	0.715	53%	0.525	S	S	*	.	H	α-helix	trans	-55.5	-38.4	177	-178.9	0	0	0	0	111.1	Q564 Q565 Y566	V562-Q564 VanDerWaalsContact C-N 3.35Å; V562-Q564 PolarHBondContact O-N 2.76Å; V562-Q565 PolarHBondContact O-N 3.38Å; V562-Y566 WeakPolarHBondContact O-CB 3.45Å; V562-Y566 PolarHBondContact O-N 3.07Å
563	E	52.2	Low	50.4	Low	138 Å²	138	94.8 Å²	94.8	65%	0.645	51%	0.509	S	S	*	.	H	α-helix	trans	-58.5	-41.5	173.4	-59.3	172.6	121.8	0	0	113	T561 Y566 Q567	T561-E563 PolarHBondContact O-N 3.31Å; E563-Y566 PolarHBondContact O-N 2.97Å; E563-Q567 WeakPolarHBondContact O-CB 3.41Å; E563-Q567 VanDerWaalsContact O-CG 3.28Å; E563-Q567 WeakPolarHBondContact O-CG 3.39Å; E563-Q567 PolarHBondContact O-N 3.42Å
564	Q	63.4	Low	52	Low	97 Å²	97	93.9 Å²	93.9	45%	0.453	50%	0.497	S	S	.	.	H	α-helix	trans	-69.3	-37	178.1	-73.3	177.6	-4.9	0	0	111.7	T561 V562 Q568	T561-Q564 WeakPolarHBondContact O-CB 3.45Å; T561-Q564 PolarHBondContact O-N 3.28Å; T561-Q564 WeakPolarHBondContact OG1-CG 3.04Å; T561-Q564 PolarHBondContact OG1-N 3Å; V562-Q564 VanDerWaalsContact C-N 3.35Å; V562-Q564 PolarHBondContact O-N 2.76Å; Q564-Q568 WeakPolarHBondContact O-CB 3.33Å; Q564-Q568 VanDerWaalsContact O-CG 3.31Å; Q564-Q568 WeakPolarHBondContact O-CG 3.39Å; Q564-Q568 PolarHBondContact O-N 3.34Å
565	Q	50.7	Low	53.4	Low	54 Å²	54	91.6 Å²	91.6	25%	0.252	49%	0.489	S	S	.	.	H	α-helix	trans	-66.2	-42.7	174.5	-63.5	178.1	3	0	0	110.6	S560 T561 V562 Q568 L569	S560-Q565 WeakPolarHBondContact OG-CG 3.49Å; S560-Q565 PolarHBondContact OG-NE2 2.87Å; T561-Q565 PolarHBondContact O-N 3.35Å; T561-Q565 VanDerWaalsContact O-N 3.09Å; V562-Q565 PolarHBondContact O-N 3.38Å; Q565-Q568 PolarHBondContact O-N 2.91Å; Q565-L569 WeakPolarHBondContact O-CB 3.35Å; Q565-L569 PolarHBondContact O-N 3.01Å
566	Y	53.9	Low	53.9	Low	141 Å²	141	88.6 Å²	88.6	55%	0.553	47%	0.469	S	S	*	.	H	α-helix	trans	-63.8	-42.9	174.6	-170.9	-95.9	0	0	0	112.5	V562 E563 Q568 L569 Q570	V562-Y566 WeakPolarHBondContact O-CB 3.45Å; V562-Y566 PolarHBondContact O-N 3.07Å; E563-Y566 PolarHBondContact O-N 2.97Å; Y566-Q568 PolarHBondContact O-N 3.09Å; Y566-L569 PolarHBondContact O-N 3.39Å; Y566-Q570 WeakPolarHBondContact O-CB 3.46Å; Y566-Q570 PolarHBondContact O-N 3.14Å
567	Q	67.3	Low	55.1	Low	116 Å²	116	89.7 Å²	89.7	54%	0.542	47%	0.465	S	S	.	.	H	α-helix	trans	-64.2	-38.8	175.2	-75.3	175.7	13.8	0	0	112.6	E563 Q571	E563-Q567 WeakPolarHBondContact O-CB 3.41Å; E563-Q567 VanDerWaalsContact O-CG 3.28Å; E563-Q567 WeakPolarHBondContact O-CG 3.39Å; E563-Q567 PolarHBondContact O-N 3.42Å; Q567-Q571 WeakPolarHBondContact O-CB 3.4Å; Q567-Q571 VanDerWaalsContact O-CG 3.31Å; Q567-Q571 WeakPolarHBondContact O-CG 3.35Å; Q567-Q571 PolarHBondContact O-N 3.32Å
568	Q	59.1	Low	56.4	Low	100 Å²	100	87 Å²	87	47%	0.467	46%	0.463	S	S	.	.	H	α-helix	trans	-65.1	-43.8	173.5	-76	177.4	2	0	0	111.5	Q564 Q565 Y566 Q571 H572	Q564-Q568 WeakPolarHBondContact O-CB 3.33Å; Q564-Q568 VanDerWaalsContact O-CG 3.31Å; Q564-Q568 WeakPolarHBondContact O-CG 3.39Å; Q564-Q568 PolarHBondContact O-N 3.34Å; Q565-Q568 PolarHBondContact O-N 2.91Å; Y566-Q568 PolarHBondContact O-N 3.09Å; Q568-Q571 PolarHBondContact O-N 3.43Å; Q568-H572 WeakPolarHBondContact O-CB 3.45Å; Q568-H572 PolarHBondContact O-N 3.27Å
569	L	57.7	Low	57.4	Low	80 Å²	80	87.5 Å²	87.5	42%	0.419	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-45.2	175.7	-178.5	61.7	0	0	0	111.7	Q565 Y566 H572 I573	Q565-L569 WeakPolarHBondContact O-CB 3.35Å; Q565-L569 PolarHBondContact O-N 3.01Å; Y566-L569 PolarHBondContact O-N 3.39Å; L569-H572 CarbonylContact O-C 3.59Å; L569-H572 PolarHBondContact O-N 3.42Å; L569-H572 VanDerWaalsContact O-N 3.12Å; L569-I573 HydrophobicContact CD1-CD1 4.36Å; L569-I573 HydrophobicContact CG-CD1 4.04Å; L569-I573 WeakPolarHBondContact O-CG1 3.41Å; L569-I573 PolarHBondContact O-N 2.8Å
570	Q	68.7	Low	57.8	Low	60 Å²	60	87.5 Å²	87.5	28%	0.28	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-45.6	178.7	-174.6	55.5	45.9	0	0	112	Y566 H572 I573 D574	Y566-Q570 WeakPolarHBondContact O-CB 3.46Å; Y566-Q570 PolarHBondContact O-N 3.14Å; Q570-H572 PolarHBondContact O-N 3.02Å; Q570-I573 PolarHBondContact O-N 3.49Å; Q570-D574 VanDerWaalsContact NE2-CG 3.32Å; Q570-D574 PolarHBondContact NE2-OD1 2.87Å; Q570-D574 PolarHBondContact NE2-OD2 2.83Å; Q570-D574 PolarHBondContact O-N 2.85Å
571	Q	67.7	Low	58.8	Low	140 Å²	140	93 Å²	93	65%	0.654	46%	0.455	S	S	*	.	H	α-helix	trans	-58	-34.9	172.8	-74.6	176.7	8.8	0	0	112.1	Q567 Q568 S575	Q567-Q571 WeakPolarHBondContact O-CB 3.4Å; Q567-Q571 VanDerWaalsContact O-CG 3.31Å; Q567-Q571 WeakPolarHBondContact O-CG 3.35Å; Q567-Q571 PolarHBondContact O-N 3.32Å; Q568-Q571 PolarHBondContact O-N 3.43Å; Q571-S575 PolarHBondContact O-N 3Å; Q571-S575 VanDerWaalsContact O-N 3.08Å
572	H	54.4	Low	58.8	Low	74 Å²	74	95.8 Å²	95.8	34%	0.343	46%	0.464	S	S	.	.	H	α-helix	trans	-76.3	-33.4	178.2	-150.5	-33.9	0	0	0	113.2	Q568 L569 Q570 S575 I576 Q632	Q568-H572 WeakPolarHBondContact O-CB 3.45Å; Q568-H572 PolarHBondContact O-N 3.27Å; L569-H572 CarbonylContact O-C 3.59Å; L569-H572 PolarHBondContact O-N 3.42Å; L569-H572 VanDerWaalsContact O-N 3.12Å; Q570-H572 PolarHBondContact O-N 3.02Å; H572-S575 PolarHBondContact O-OG 3.46Å; H572-I576 WeakPolarHBondContact O-CD1 3.18Å; H572-I576 VanDerWaalsContact O-CG1 3.31Å; H572-I576 WeakPolarHBondContact O-CG1 3.33Å; H572-I576 PolarHBondContact O-N 3.48Å; H572-Q632 PolarHBondContact CE1-NE2 2.91Å; H572-Q632 PolarHBondContact NE2-NE2 2.86Å; H572-Q632 VanDerWaalsContact NE2-NE2 3.18Å
573	I	58.8	Low	58.7	Low	57 Å²	57	93.6 Å²	93.6	29%	0.292	45%	0.45	S	S	.	.	H	α-helix	trans	-64.6	-43.8	171.5	-71.7	165.1	0	0	0	110.1	L569 Q570 I576 R577	L569-I573 HydrophobicContact CD1-CD1 4.36Å; L569-I573 HydrophobicContact CG-CD1 4.04Å; L569-I573 WeakPolarHBondContact O-CG1 3.41Å; L569-I573 PolarHBondContact O-N 2.8Å; Q570-I573 PolarHBondContact O-N 3.49Å; I573-I576 PolarHBondContact O-N 3.5Å; I573-R577 WeakPolarHBondContact O-CG 3.38Å; I573-R577 PolarHBondContact O-N 3Å
574	D	63.7	Low	58.2	Low	70 Å²	70	90 Å²	90	37%	0.374	44%	0.444	S	S	.	.	H	α-helix	trans	-72.6	-29.1	-178.7	-68.9	-37.2	0	0	0	113.3	Q570 R577 A578	Q570-D574 VanDerWaalsContact NE2-CG 3.32Å; Q570-D574 PolarHBondContact NE2-OD1 2.87Å; Q570-D574 PolarHBondContact NE2-OD2 2.83Å; Q570-D574 PolarHBondContact O-N 2.85Å; D574-R577 PolarHBondContact O-N 2.87Å; D574-R577 VanDerWaalsContact OD1-CD 3.27Å; D574-R577 WeakPolarHBondContact OD1-CD 3.42Å; D574-R577 IonicContact OD1-CZ 2.68Å; D574-R577 IonicContact OD1-NE 2.62Å; D574-R577 IonicContact OD1-NH1 2.75Å; D574-R577 PolarHBondContact OD1-NH1 3.3Å; D574-A578 PolarHBondContact O-N 3.12Å
575	S	61.4	Low	57.5	Low	52 Å²	52	91.1 Å²	91.1	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-67.6	-39.2	170	75.1	0	0	0	0	112.4	Q571 H572 A578 I579	Q571-S575 PolarHBondContact O-N 3Å; Q571-S575 VanDerWaalsContact O-N 3.08Å; H572-S575 PolarHBondContact O-OG 3.46Å; S575-A578 WeakPolarHBondContact O-CB 3.38Å; S575-A578 PolarHBondContact O-N 3.42Å; S575-I579 WeakPolarHBondContact O-CG1 3.47Å; S575-I579 PolarHBondContact O-N 2.96Å; S575-I579 VanDerWaalsContact O-N 3.07Å
576	I	52.2	Low	57.4	Low	39 Å²	39	93.4 Å²	93.4	20%	0.2	47%	0.466	C	S	.	.	H	α-helix	trans	-64	-45	173.7	-67.4	165	0	0	0	110.2	H572 I573 A578 I579 F580	H572-I576 WeakPolarHBondContact O-CD1 3.18Å; H572-I576 VanDerWaalsContact O-CG1 3.31Å; H572-I576 WeakPolarHBondContact O-CG1 3.33Å; H572-I576 PolarHBondContact O-N 3.48Å; I573-I576 PolarHBondContact O-N 3.5Å; I576-A578 VanDerWaalsContact C-N 3.27Å; I576-A578 PolarHBondContact O-N 3.46Å; I576-I579 PolarHBondContact O-N 3.1Å; I576-F580 HydrophobicContact CG2-CD2 3.84Å; I576-F580 HydrophobicContact CG2-CE2 3.94Å; I576-F580 WeakPolarHBondContact O-CD2 3.45Å; I576-F580 PolarHBondContact O-N 3.25Å
577	R	59.7	Low	56.6	Low	134 Å²	134	89 Å²	89	51%	0.506	46%	0.463	S	S	.	.	H	α-helix	trans	-58.6	-36.1	174.4	-72.4	164.6	169.4	177.2	-4.5	112.6	I573 D574 K581	I573-R577 WeakPolarHBondContact O-CG 3.38Å; I573-R577 PolarHBondContact O-N 3Å; D574-R577 PolarHBondContact O-N 2.87Å; D574-R577 VanDerWaalsContact OD1-CD 3.27Å; D574-R577 WeakPolarHBondContact OD1-CD 3.42Å; D574-R577 IonicContact OD1-CZ 2.68Å; D574-R577 IonicContact OD1-NE 2.62Å; D574-R577 IonicContact OD1-NH1 2.75Å; D574-R577 PolarHBondContact OD1-NH1 3.3Å; R577-K581 WeakPolarHBondContact O-CG 3.49Å; R577-K581 PolarHBondContact O-N 3.37Å; R577-K581 VanDerWaalsContact O-N 3.16Å
578	A	65.8	Low	55.2	Low	52 Å²	52	86.5 Å²	86.5	43%	0.43	46%	0.462	S	S	.	.	H	α-helix	trans	-66.7	-46.8	175.2	0	0	0	0	0	112	D574 S575 I576 F580 K581 E582	D574-A578 PolarHBondContact O-N 3.12Å; S575-A578 WeakPolarHBondContact O-CB 3.38Å; S575-A578 PolarHBondContact O-N 3.42Å; I576-A578 VanDerWaalsContact C-N 3.27Å; I576-A578 PolarHBondContact O-N 3.46Å; A578-F580 PolarHBondContact O-N 3.13Å; A578-K581 WeakPolarHBondContact O-CB 3.31Å; A578-K581 PolarHBondContact O-N 2.94Å; A578-K581 VanDerWaalsContact O-N 3.09Å; A578-E582 PolarHBondContact O-N 3.14Å
579	I	59.2	Low	54.3	Low	89 Å²	89	85.8 Å²	85.8	46%	0.456	47%	0.473	S	S	.	.	H	α-helix	trans	-58.9	-45.5	177	-66.1	163.6	0	0	0	110.9	S575 I576 K581 E582 V583	S575-I579 WeakPolarHBondContact O-CG1 3.47Å; S575-I579 PolarHBondContact O-N 2.96Å; S575-I579 VanDerWaalsContact O-N 3.07Å; I576-I579 PolarHBondContact O-N 3.1Å; I579-K581 VanDerWaalsContact C-N 3.29Å; I579-K581 PolarHBondContact O-N 3.47Å; I579-E582 PolarHBondContact O-N 3.47Å; I579-V583 HydrophobicContact CG2-CG2 4.47Å; I579-V583 WeakPolarHBondContact O-CG2 3.46Å; I579-V583 PolarHBondContact O-N 2.76Å
580	F	49.1	Very low	53.6	Low	127 Å²	127	85.7 Å²	85.7	56%	0.557	48%	0.484	S	S	*	.	H	α-helix	trans	-62.6	-33.4	176.3	-90.1	-84.4	0	0	0	113	I576 A578 A584	I576-F580 HydrophobicContact CG2-CD2 3.84Å; I576-F580 HydrophobicContact CG2-CE2 3.94Å; I576-F580 WeakPolarHBondContact O-CD2 3.45Å; I576-F580 PolarHBondContact O-N 3.25Å; A578-F580 PolarHBondContact O-N 3.13Å; F580-A584 VanDerWaalsContact O-CB 3.29Å; F580-A584 WeakPolarHBondContact O-CB 3.36Å; F580-A584 PolarHBondContact O-N 3.45Å
581	K	65.8	Low	52.1	Low	146 Å²	146	90.3 Å²	90.3	64%	0.635	51%	0.511	S	S	*	.	H	α-helix	trans	-68.6	-40.5	173.3	-76.7	176.7	178.3	-178.8	0	112.5	R577 A578 I579 A584 L585	R577-K581 WeakPolarHBondContact O-CG 3.49Å; R577-K581 PolarHBondContact O-N 3.37Å; R577-K581 VanDerWaalsContact O-N 3.16Å; A578-K581 WeakPolarHBondContact O-CB 3.31Å; A578-K581 PolarHBondContact O-N 2.94Å; A578-K581 VanDerWaalsContact O-N 3.09Å; I579-K581 VanDerWaalsContact C-N 3.29Å; I579-K581 PolarHBondContact O-N 3.47Å; K581-A584 PolarHBondContact O-N 2.86Å; K581-L585 WeakPolarHBondContact O-CB 3.06Å; K581-L585 VanDerWaalsContact O-CG 3.32Å; K581-L585 WeakPolarHBondContact O-CG 3.2Å; K581-L585 PolarHBondContact O-N 2.86Å
582	E	54	Low	50.4	Low	128 Å²	128	92 Å²	92	60%	0.598	52%	0.519	S	S	*	.	H	α-helix	trans	-64.9	-45	175.1	-69.8	-168.7	151.2	0	0	111.7	A578 I579 A584 L585 I586	A578-E582 PolarHBondContact O-N 3.14Å; I579-E582 PolarHBondContact O-N 3.47Å; E582-A584 VanDerWaalsContact C-N 3.33Å; E582-A584 PolarHBondContact O-N 2.76Å; E582-L585 PolarHBondContact O-N 2.93Å; E582-I586 VanDerWaalsContact O-CG1 3.3Å; E582-I586 WeakPolarHBondContact O-CG1 3.28Å; E582-I586 PolarHBondContact O-N 3.28Å
583	V	47.8	Very low	49.3	Very low	71 Å²	71	93.2 Å²	93.2	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-61.1	-40.8	175.8	174	0	0	0	0	111.5	I579 I586 G587	I579-V583 HydrophobicContact CG2-CG2 4.47Å; I579-V583 WeakPolarHBondContact O-CG2 3.46Å; I579-V583 PolarHBondContact O-N 2.76Å; V583-I586 PolarHBondContact O-N 3.38Å; V583-G587 PolarHBondContact O-N 3.42Å; V583-G587 VanDerWaalsContact O-N 3.09Å
584	A	42.5	Very low	48.1	Very low	63 Å²	63	96.3 Å²	96.3	52%	0.521	56%	0.559	S	S	.	*	H	α-helix	trans	-65.5	-40.4	175.8	0	0	0	0	0	112.8	F580 K581 E582 G587 A588	F580-A584 VanDerWaalsContact O-CB 3.29Å; F580-A584 WeakPolarHBondContact O-CB 3.36Å; F580-A584 PolarHBondContact O-N 3.45Å; K581-A584 PolarHBondContact O-N 2.86Å; E582-A584 VanDerWaalsContact C-N 3.33Å; E582-A584 PolarHBondContact O-N 2.76Å; A584-G587 PolarHBondContact O-N 3.33Å; A584-A588 WeakPolarHBondContact O-CB 3.33Å; A584-A588 PolarHBondContact O-N 2.83Å
585	L	48.3	Very low	46.7	Very low	120 Å²	120	99.2 Å²	99.2	63%	0.628	58%	0.582	S	S	*	*	H	α-helix	trans	-65.9	-39.3	176.2	-75.9	166.2	0	0	0	112.3	K581 E582 G587 A588 A589	K581-L585 WeakPolarHBondContact O-CB 3.06Å; K581-L585 VanDerWaalsContact O-CG 3.32Å; K581-L585 WeakPolarHBondContact O-CG 3.2Å; K581-L585 PolarHBondContact O-N 2.86Å; E582-L585 PolarHBondContact O-N 2.93Å; L585-G587 VanDerWaalsContact C-N 3.28Å; L585-G587 PolarHBondContact O-N 3.48Å; L585-A588 PolarHBondContact O-N 3.39Å; L585-A589 WeakPolarHBondContact O-CB 3.38Å; L585-A589 PolarHBondContact O-N 3.09Å
586	I	48.3	Very low	45.3	Very low	103 Å²	103	104.4 Å²	104.4	53%	0.528	61%	0.606	S	S	.	*	H	α-helix	trans	-64.4	-34.3	174.5	-67.9	163.7	0	0	0	111.2	E582 V583	E582-I586 VanDerWaalsContact O-CG1 3.3Å; E582-I586 WeakPolarHBondContact O-CG1 3.28Å; E582-I586 PolarHBondContact O-N 3.28Å; V583-I586 PolarHBondContact O-N 3.38Å
587	G	37.5	Very low	44.1	Very low	49 Å²	49	113.5 Å²	113.5	51%	0.505	64%	0.637	S	S	.	*	H	α-helix	trans	-70.3	-43.5	172.6	0	0	0	0	0	113.5	V583 A584 L585	V583-G587 PolarHBondContact O-N 3.42Å; V583-G587 VanDerWaalsContact O-N 3.09Å; A584-G587 PolarHBondContact O-N 3.33Å; L585-G587 VanDerWaalsContact C-N 3.28Å; L585-G587 PolarHBondContact O-N 3.48Å
588	A	38.3	Very low	42.8	Very low	63 Å²	63	116.3 Å²	116.3	52%	0.521	66%	0.656	S	S	.	*	H	α-helix	trans	-72.6	-32.9	-176.5	0	0	0	0	0	113.7	A584 L585 A590	A584-A588 WeakPolarHBondContact O-CB 3.33Å; A584-A588 PolarHBondContact O-N 2.83Å; L585-A588 PolarHBondContact O-N 3.39Å; A588-A590 PolarHBondContact O-N 3.46Å
589	A	40	Very low	40.9	Very low	84 Å²	84	121.8 Å²	121.8	69%	0.694	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-0.4	-178.7	0	0	0	0	0	114.8	L585	L585-A589 WeakPolarHBondContact O-CB 3.38Å; L585-A589 PolarHBondContact O-N 3.09Å
590	A	42.5	Very low	39.6	Very low	79 Å²	79	123.8 Å²	123.8	65%	0.653	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-18.8	-176.6	0	0	0	0	0	115.1	A588	A588-A590 PolarHBondContact O-N 3.46Å
591	D	37	Very low	38.9	Very low	157 Å²	157	124.2 Å²	124.2	84%	0.84	70%	0.702	S	S	*	*	S	Bend	trans	-95.2	-11.5	-178.4	-92.1	-33.4	0	0	0	113.7	S593	D591-S593 PolarHBondContact O-N 3.17Å
592	E	32.7	Very low	37.2	Very low	176 Å²	176	124.9 Å²	124.9	82%	0.822	71%	0.712	S	S	*	*			trans	-96.9	56.2	-172.8	-79.7	-85.4	132.1	0	0	113.8
593	S	31.4	Very low	36.3	Very low	98 Å²	98	124 Å²	124	69%	0.685	72%	0.72	S	S	*	*			trans	-152.7	112.6	164.9	71.9	0	0	0	0	114.5	D591	D591-S593 PolarHBondContact O-N 3.17Å
594	P	33.3	Very low	35.5	Very low	122 Å²	122	128.3 Å²	128.3	79%	0.792	74%	0.74	S	S	*	*			trans	-80.7	134.8	175.1	31.2	-33.1	0	0	0	111.9	N596	P594-N596 PolarHBondContact O-N 3.05Å; P594-N596 VanDerWaalsContact O-N 3.08Å
595	P	33.8	Very low	34.8	Very low	131 Å²	131	131 Å²	131	85%	0.851	75%	0.753	S	S	*	*			trans	-78.4	96.7	-176	30.7	-34.8	0	0	0	111.8
596	N	31.7	Very low	34	Very low	162 Å²	162	131 Å²	131	87%	0.866	76%	0.763	S	S	*	*			trans	-77.6	138.6	173.5	-158.5	1.7	0	0	0	111.3	P594	P594-N596 PolarHBondContact O-N 3.05Å; P594-N596 VanDerWaalsContact O-N 3.08Å
597	R	27.8	Very low	33.1	Very low	229 Å²	229	129.7 Å²	129.7	86%	0.864	78%	0.775	S	S	*	*			trans	-76.6	125.1	-174.2	-75.6	172.8	163	173.6	-6.1	111.9
598	Q	31.3	Very low	32.8	Very low	194 Å²	194	135.5 Å²	135.5	91%	0.907	79%	0.789	S	S	*	*			trans	-153.4	154.5	146.2	-121.2	159.4	-7.5	0	0	113.1
599	Q	27.3	Very low	32.4	Very low	166 Å²	166	143.1 Å²	143.1	78%	0.776	80%	0.804	S	S	*	*			trans	-77.4	144.4	-170.1	-65	153.5	-100.7	0	0	112.6
600	C	31.6	Very low	32	Very low	131 Å²	131	145.4 Å²	145.4	89%	0.885	81%	0.805	S	S	*	*			trans	-142.6	138.3	144.3	-87.4	0	0	0	0	107.5
601	D	33.5	Very low	31.5	Very low	137 Å²	137	145.5 Å²	145.5	73%	0.733	80%	0.801	S	S	*	*			trans	-88.8	166.4	-163.4	-77.7	-70	0	0	0	115.2
602	N	30.4	Very low	31.2	Very low	160 Å²	160	143.8 Å²	143.8	86%	0.856	79%	0.789	S	S	*	*			trans	-66.8	129	-168.9	-57.3	-81.9	0	0	0	114.4
603	S	34.4	Very low	31.1	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	78%	0.778	S	S	*	*			trans	-152.2	122.3	141.5	51.4	0	0	0	0	113.9
604	L	32.4	Very low	31.1	Very low	161 Å²	161	138.8 Å²	138.8	84%	0.843	77%	0.771	S	S	*	*			trans	55.6	73.8	145.8	-60.3	169.4	0	0	0	120.1
605	C	27.5	Very low	30.9	Very low	120 Å²	120	139.2 Å²	139.2	81%	0.811	76%	0.761	S	S	*	*				48.5	99.9	123.5	-58.9	0	0	0	0	120.8
606	S	30.8	Very low	31.2	Very low	120 Å²	120	137 Å²	137	84%	0.839	74%	0.742	S	S	*	*				175.4	-5.8	126.2	47.9	0	0	0	0	114.8	H608	S606-H608 PolarHBondContact O-N 3.12Å
607	G	28.9	Very low	31.6	Very low	75 Å²	75	132.3 Å²	132.3	77%	0.773	72%	0.722	S	S	*	*			trans	-70.8	69.3	-174.3	0	0	0	0	0	116.8
608	H	31.9	Very low	32.4	Very low	171 Å²	171	126.2 Å²	126.2	79%	0.792	70%	0.703	S	S	*	*			trans	-140.8	12.9	175.2	-114.8	51.7	0	0	0	116.4	S606	S606-H608 PolarHBondContact O-N 3.12Å
609	R	31.2	Very low	33.2	Very low	223 Å²	223	122.2 Å²	122.2	84%	0.842	69%	0.685	S	S	*	*	S	Bend	trans	-106.2	-15.8	174.5	-75.5	-172.6	170.5	-171.8	-3.3	115.5
610	N	31.6	Very low	34.3	Very low	133 Å²	133	120 Å²	120	71%	0.711	68%	0.675	S	S	*	*	H	α-helix	trans	-86.9	-22.8	-169.5	-67.6	10.2	0	0	0	114.6	C613 C614	N610-C613 WeakPolarHBondContact O-CB 3.45Å; N610-C613 PolarHBondContact O-N 2.71Å; N610-C614 PolarHBondContact O-N 2.98Å
611	S	30.6	Very low	35	Very low	81 Å²	81	116.5 Å²	116.5	57%	0.566	65%	0.654	S	S	*	*	H	α-helix	trans	-67.2	-39.8	176.2	52.3	0	0	0	0	112.6	C613 C614 F615	S611-C613 PolarHBondContact O-N 3.45Å; S611-C614 PolarHBondContact O-N 3.42Å; S611-F615 PolarHBondContact O-N 3.46Å
612	M	31.3	Very low	35.8	Very low	121 Å²	121	113.5 Å²	113.5	60%	0.596	64%	0.641	S	S	*	*	H	α-helix	trans	-58.1	-34	172.3	-86.9	-71.8	-70.2	0	0	112.7	F615 N616	M612-F615 PolarHBondContact O-N 3.44Å; M612-N616 WeakPolarHBondContact O-CB 3.38Å; M612-N616 PolarHBondContact O-N 3.14Å
613	C	31.4	Very low	36.9	Very low	88 Å²	88	111.2 Å²	111.2	60%	0.595	63%	0.626	S	S	*	*	H	α-helix	trans	-67	-46.2	178.4	-166.4	0	0	0	0	111	N610 S611 F615 N616 S617	N610-C613 WeakPolarHBondContact O-CB 3.45Å; N610-C613 PolarHBondContact O-N 2.71Å; S611-C613 PolarHBondContact O-N 3.45Å; C613-F615 PolarHBondContact O-N 2.95Å; C613-N616 PolarHBondContact O-N 3.41Å; C613-S617 PolarHBondContact O-N 3.49Å; C613-S617 PolarHBondContact O-OG 2.92Å
614	C	30.3	Very low	38.1	Very low	80 Å²	80	111.3 Å²	111.3	54%	0.541	62%	0.618	S	S	.	*	H	α-helix	trans	-60.2	-45.7	174.3	-58	0	0	0	0	111.8	N610 S611 N616 S617 Q618	N610-C614 PolarHBondContact O-N 2.98Å; S611-C614 PolarHBondContact O-N 3.42Å; C614-N616 PolarHBondContact O-N 2.83Å; C614-S617 WeakPolarHBondContact CA-OG 3.4Å; C614-S617 PolarHBondContact O-N 3.01Å; C614-S617 PolarHBondContact O-OG 2.78Å; C614-Q618 WeakPolarHBondContact O-CB 3.39Å; C614-Q618 PolarHBondContact O-N 3.01Å
615	F	29.2	Very low	39	Very low	132 Å²	132	105.6 Å²	105.6	58%	0.579	59%	0.594	S	S	*	*	H	α-helix	trans	-63.8	-41.5	-179.9	-128.9	-90.8	0	0	0	112.2	S611 M612 C613 Q618 Q619	S611-F615 PolarHBondContact O-N 3.46Å; M612-F615 PolarHBondContact O-N 3.44Å; C613-F615 PolarHBondContact O-N 2.95Å; F615-Q618 PolarHBondContact O-N 3.44Å; F615-Q619 WeakPolarHBondContact O-CB 3.32Å; F615-Q619 WeakPolarHBondContact O-CG 3.4Å; F615-Q619 PolarHBondContact O-N 3.44Å
616	N	39.7	Very low	40.5	Very low	83 Å²	83	104 Å²	104	44%	0.444	58%	0.58	S	S	.	*	H	α-helix	trans	-65.8	-43	173.4	-96.3	-10.9	0	0	0	112.2	M612 C613 C614 Q618 Q619 Q620	M612-N616 WeakPolarHBondContact O-CB 3.38Å; M612-N616 PolarHBondContact O-N 3.14Å; C613-N616 PolarHBondContact O-N 3.41Å; C614-N616 PolarHBondContact O-N 2.83Å; N616-Q618 VanDerWaalsContact C-N 3.28Å; N616-Q618 PolarHBondContact O-N 3.09Å; N616-Q619 PolarHBondContact O-N 3.39Å; N616-Q620 WeakPolarHBondContact O-CB 3.28Å; N616-Q620 WeakPolarHBondContact O-CG 3.45Å; N616-Q620 PolarHBondContact O-N 2.85Å
617	S	41.2	Very low	42	Very low	64 Å²	64	102.5 Å²	102.5	45%	0.448	56%	0.562	S	S	.	*	H	α-helix	trans	-63.9	-35.3	177	62.3	0	0	0	0	112.2	C613 C614 A621	C613-S617 PolarHBondContact O-N 3.49Å; C613-S617 PolarHBondContact O-OG 2.92Å; C614-S617 WeakPolarHBondContact CA-OG 3.4Å; C614-S617 PolarHBondContact O-N 3.01Å; C614-S617 PolarHBondContact O-OG 2.78Å; S617-A621 VanDerWaalsContact O-CB 3.3Å; S617-A621 WeakPolarHBondContact O-CB 3.3Å; S617-A621 PolarHBondContact O-N 2.97Å
618	Q	44.7	Very low	43.4	Very low	101 Å²	101	102.6 Å²	102.6	47%	0.472	55%	0.548	S	S	.	.	H	α-helix	trans	-74.3	-38.9	178.1	-164.2	171.3	10.5	0	0	111.5	C614 F615 N616 A621 V622	C614-Q618 WeakPolarHBondContact O-CB 3.39Å; C614-Q618 PolarHBondContact O-N 3.01Å; F615-Q618 PolarHBondContact O-N 3.44Å; N616-Q618 VanDerWaalsContact C-N 3.28Å; N616-Q618 PolarHBondContact O-N 3.09Å; Q618-A621 PolarHBondContact O-N 2.89Å; Q618-V622 WeakPolarHBondContact O-CG2 3.21Å; Q618-V622 PolarHBondContact O-N 3.35Å
619	Q	47.3	Very low	44.6	Very low	110 Å²	110	95.9 Å²	95.9	51%	0.514	52%	0.52	S	S	.	.	H	α-helix	trans	-64	-41	170.4	-76	-172	4	0	0	112.2	F615 N616 V622 M623	F615-Q619 WeakPolarHBondContact O-CB 3.32Å; F615-Q619 WeakPolarHBondContact O-CG 3.4Å; F615-Q619 PolarHBondContact O-N 3.44Å; N616-Q619 PolarHBondContact O-N 3.39Å; Q619-V622 PolarHBondContact O-N 3.28Å; Q619-M623 WeakPolarHBondContact O-CB 3.3Å; Q619-M623 PolarHBondContact O-N 3.34Å
620	Q	50.2	Low	46.3	Very low	121 Å²	121	90.3 Å²	90.3	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-65.3	-40.5	174.4	-75.3	179	-10.5	0	0	112	N616 M623 L624	N616-Q620 WeakPolarHBondContact O-CB 3.28Å; N616-Q620 WeakPolarHBondContact O-CG 3.45Å; N616-Q620 PolarHBondContact O-N 2.85Å; Q620-M623 PolarHBondContact O-N 3.31Å; Q620-L624 WeakPolarHBondContact O-CB 3.43Å; Q620-L624 VanDerWaalsContact O-CG 3.32Å; Q620-L624 WeakPolarHBondContact O-CG 3.23Å; Q620-L624 PolarHBondContact O-N 2.84Å
621	A	47.2	Very low	48.1	Very low	56 Å²	56	89.5 Å²	89.5	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-43.2	175.3	0	0	0	0	0	112.3	S617 Q618 L624 A625	S617-A621 VanDerWaalsContact O-CB 3.3Å; S617-A621 WeakPolarHBondContact O-CB 3.3Å; S617-A621 PolarHBondContact O-N 2.97Å; Q618-A621 PolarHBondContact O-N 2.89Å; A621-L624 PolarHBondContact O-N 3.47Å; A621-A625 WeakPolarHBondContact O-CB 3.3Å; A621-A625 PolarHBondContact O-N 3.16Å
622	V	49.8	Very low	49.7	Very low	74 Å²	74	89 Å²	89	45%	0.448	48%	0.484	S	S	.	.	H	α-helix	trans	-66.9	-40.4	174.9	171.4	0	0	0	0	111.3	Q618 Q619 A625 V626	Q618-V622 WeakPolarHBondContact O-CG2 3.21Å; Q618-V622 PolarHBondContact O-N 3.35Å; Q619-V622 PolarHBondContact O-N 3.28Å; V622-A625 PolarHBondContact O-N 2.88Å; V622-V626 WeakPolarHBondContact O-CB 3.26Å; V622-V626 WeakPolarHBondContact O-CG2 3.4Å; V622-V626 PolarHBondContact O-N 3Å
623	M	53	Low	51.4	Low	112 Å²	112	87.3 Å²	87.3	55%	0.552	48%	0.477	S	S	*	.	H	α-helix	trans	-63.2	-44.3	176	-170.5	-167.6	-50.2	0	0	111.5	Q619 Q620 V626 L627	Q619-M623 WeakPolarHBondContact O-CB 3.3Å; Q619-M623 PolarHBondContact O-N 3.34Å; Q620-M623 PolarHBondContact O-N 3.31Å; M623-V626 PolarHBondContact O-N 3.48Å; M623-L627 HydrophobicContact CG-CD1 4.18Å; M623-L627 WeakPolarHBondContact O-CB 2.95Å; M623-L627 VanDerWaalsContact O-CG 3.26Å; M623-L627 WeakPolarHBondContact O-CG 3.49Å; M623-L627 PolarHBondContact O-N 3.41Å
624	L	60.2	Low	53	Low	112 Å²	112	87.5 Å²	87.5	59%	0.586	47%	0.469	S	S	*	.	H	α-helix	trans	-63.3	-43.4	174	-77.5	166	0	0	0	111.5	Q620 A621 V626 L627 T628	Q620-L624 WeakPolarHBondContact O-CB 3.43Å; Q620-L624 VanDerWaalsContact O-CG 3.32Å; Q620-L624 WeakPolarHBondContact O-CG 3.23Å; Q620-L624 PolarHBondContact O-N 2.84Å; A621-L624 PolarHBondContact O-N 3.47Å; L624-V626 PolarHBondContact O-N 2.85Å; L624-L627 PolarHBondContact O-N 2.89Å; L624-T628 WeakPolarHBondContact O-CG2 3.36Å; L624-T628 PolarHBondContact O-N 2.87Å; L624-T628 PolarHBondContact O-OG1 3.4Å; L624-T628 VanDerWaalsContact O-OG1 3.05Å
625	A	51.9	Low	54.8	Low	40 Å²	40	87.9 Å²	87.9	33%	0.331	47%	0.465	S	S	.	.	H	α-helix	trans	-59.5	-46.6	175.7	0	0	0	0	0	111.7	A621 V622 T628 C629	A621-A625 WeakPolarHBondContact O-CB 3.3Å; A621-A625 PolarHBondContact O-N 3.16Å; V622-A625 PolarHBondContact O-N 2.88Å; A625-T628 WeakPolarHBondContact CA-OG1 3.19Å; A625-T628 PolarHBondContact O-N 3.46Å; A625-T628 PolarHBondContact O-OG1 3.46Å; A625-C629 WeakPolarHBondContact O-CB 3.44Å; A625-C629 PolarHBondContact O-N 2.72Å; A625-C629 PolarHBondContact O-SG 3.29Å; A625-C629 VanDerWaalsContact O-SG 3.38Å
626	V	59.1	Low	56.3	Low	86 Å²	86	84 Å²	84	52%	0.521	45%	0.448	S	S	.	.	H	α-helix	trans	-61.3	-44.4	175.3	169.5	0	0	0	0	111.4	V622 M623 L624 C629 Q630	V622-V626 WeakPolarHBondContact O-CB 3.26Å; V622-V626 WeakPolarHBondContact O-CG2 3.4Å; V622-V626 PolarHBondContact O-N 3Å; M623-V626 PolarHBondContact O-N 3.48Å; L624-V626 PolarHBondContact O-N 2.85Å; V626-C629 PolarHBondContact O-N 3.02Å; V626-Q630 WeakPolarHBondContact O-CB 3.45Å; V626-Q630 PolarHBondContact O-N 3.07Å
627	L	61.2	Low	57.7	Low	89 Å²	89	85.7 Å²	85.7	47%	0.466	45%	0.454	S	S	.	.	H	α-helix	trans	-63.7	-41.1	176.6	-74.2	166.9	0	0	0	112.2	M623 L624 Q630 Q631	M623-L627 HydrophobicContact CG-CD1 4.18Å; M623-L627 WeakPolarHBondContact O-CB 2.95Å; M623-L627 VanDerWaalsContact O-CG 3.26Å; M623-L627 WeakPolarHBondContact O-CG 3.49Å; M623-L627 PolarHBondContact O-N 3.41Å; L624-L627 PolarHBondContact O-N 2.89Å; L627-Q630 PolarHBondContact O-N 2.63Å; L627-Q631 WeakPolarHBondContact O-CB 3.42Å; L627-Q631 PolarHBondContact O-N 3.22Å
628	T	58.8	Low	58.8	Low	77 Å²	77	88.3 Å²	88.3	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-67.2	-39.4	175.3	50.3	0	0	0	0	112.3	L624 A625 Q631 Q632	L624-T628 WeakPolarHBondContact O-CG2 3.36Å; L624-T628 PolarHBondContact O-N 2.87Å; L624-T628 PolarHBondContact O-OG1 3.4Å; L624-T628 VanDerWaalsContact O-OG1 3.05Å; A625-T628 WeakPolarHBondContact CA-OG1 3.19Å; A625-T628 PolarHBondContact O-N 3.46Å; A625-T628 PolarHBondContact O-OG1 3.46Å; T628-Q631 PolarHBondContact O-N 3.14Å; T628-Q632 VanDerWaalsContact O-CB 3.23Å; T628-Q632 WeakPolarHBondContact O-CB 3.28Å; T628-Q632 PolarHBondContact O-N 3.04Å
629	C	57	Low	59.5	Low	31 Å²	31	87.8 Å²	87.8	21%	0.209	46%	0.458	C	S	.	.	H	α-helix	trans	-62.8	-42.3	172.2	-74.4	0	0	0	0	111.3	A625 V626 Q632 I633	A625-C629 WeakPolarHBondContact O-CB 3.44Å; A625-C629 PolarHBondContact O-N 2.72Å; A625-C629 PolarHBondContact O-SG 3.29Å; A625-C629 VanDerWaalsContact O-SG 3.38Å; V626-C629 PolarHBondContact O-N 3.02Å; C629-Q632 PolarHBondContact O-N 3.09Å; C629-I633 WeakPolarHBondContact O-CB 3.42Å; C629-I633 WeakPolarHBondContact O-CD1 3.34Å; C629-I633 VanDerWaalsContact O-CG1 3.24Å; C629-I633 WeakPolarHBondContact O-CG1 3.34Å; C629-I633 PolarHBondContact O-N 3.01Å
630	Q	66.7	Low	60.2	Low	105 Å²	105	87.9 Å²	87.9	49%	0.491	46%	0.462	S	S	.	.	H	α-helix	trans	-63.7	-44.5	177.4	-172.7	174.9	8.5	0	0	111.7	V626 L627 Q632 I633 Q634	V626-Q630 WeakPolarHBondContact O-CB 3.45Å; V626-Q630 PolarHBondContact O-N 3.07Å; L627-Q630 PolarHBondContact O-N 2.63Å; Q630-Q632 VanDerWaalsContact C-N 3.33Å; Q630-Q632 PolarHBondContact O-N 3.47Å; Q630-I633 PolarHBondContact O-N 3.08Å; Q630-Q634 WeakPolarHBondContact O-CG 3.43Å; Q630-Q634 PolarHBondContact O-N 2.64Å
631	Q	69.2	Low	60.8	Low	117 Å²	117	84.2 Å²	84.2	55%	0.547	45%	0.452	S	S	.	.	H	α-helix	trans	-64.1	-36.9	175.2	-170.8	175.9	31.6	0	0	112.1	L627 T628 Q634 L635	L627-Q631 WeakPolarHBondContact O-CB 3.42Å; L627-Q631 PolarHBondContact O-N 3.22Å; T628-Q631 PolarHBondContact O-N 3.14Å; Q631-Q634 PolarHBondContact O-N 3.45Å; Q631-L635 PolarHBondContact O-N 3.36Å
632	Q	64.3	Low	61.7	Low	69 Å²	69	85 Å²	85	32%	0.322	45%	0.454	S	S	.	.	H	α-helix	trans	-71.7	-36.6	177.1	-172.3	155.8	49.4	0	0	112.5	H572 T628 C629 Q630 L635 Q636	H572-Q632 PolarHBondContact CE1-NE2 2.91Å; H572-Q632 PolarHBondContact NE2-NE2 2.86Å; H572-Q632 VanDerWaalsContact NE2-NE2 3.18Å; T628-Q632 VanDerWaalsContact O-CB 3.23Å; T628-Q632 WeakPolarHBondContact O-CB 3.28Å; T628-Q632 PolarHBondContact O-N 3.04Å; C629-Q632 PolarHBondContact O-N 3.09Å; Q630-Q632 VanDerWaalsContact C-N 3.33Å; Q630-Q632 PolarHBondContact O-N 3.47Å; Q632-L635 PolarHBondContact O-N 2.93Å; Q632-Q636 WeakPolarHBondContact O-CG 3.48Å; Q632-Q636 PolarHBondContact O-N 3.33Å
633	I	66.6	Low	62	Low	86 Å²	86	85.2 Å²	85.2	44%	0.441	45%	0.452	S	S	.	.	H	α-helix	trans	-65.3	-41.1	171.1	-70.3	163	0	0	0	110.6	C629 Q630 L635 Q636 Q637	C629-I633 WeakPolarHBondContact O-CB 3.42Å; C629-I633 WeakPolarHBondContact O-CD1 3.34Å; C629-I633 VanDerWaalsContact O-CG1 3.24Å; C629-I633 WeakPolarHBondContact O-CG1 3.34Å; C629-I633 PolarHBondContact O-N 3.01Å; Q630-I633 PolarHBondContact O-N 3.08Å; I633-L635 PolarHBondContact O-N 3.09Å; I633-Q636 PolarHBondContact O-N 3.19Å; I633-Q637 HydrophobicContact CG2-CG 4.44Å; I633-Q637 WeakPolarHBondContact O-CB 3.41Å; I633-Q637 WeakPolarHBondContact O-CG 3.31Å; I633-Q637 PolarHBondContact O-N 3.01Å
634	Q	66.1	Low	62.3	Low	93 Å²	93	88.2 Å²	88.2	44%	0.435	46%	0.457	S	S	.	.	H	α-helix	trans	-62.8	-39.7	174.3	-76.2	179	-29.1	0	0	112.3	Q630 Q631 Q637 M638	Q630-Q634 WeakPolarHBondContact O-CG 3.43Å; Q630-Q634 PolarHBondContact O-N 2.64Å; Q631-Q634 PolarHBondContact O-N 3.45Å; Q634-Q637 PolarHBondContact O-N 3.26Å; Q634-M638 WeakPolarHBondContact O-CB 3.43Å; Q634-M638 PolarHBondContact O-N 3.35Å
635	L	68.7	Low	62.3	Low	88 Å²	88	87.2 Å²	87.2	46%	0.461	45%	0.452	S	S	.	.	H	α-helix	trans	-62.2	-47	171.7	-82.4	163	0	0	0	111.7	Q631 Q632 I633 Q637 M638 E639	Q631-L635 PolarHBondContact O-N 3.36Å; Q632-L635 PolarHBondContact O-N 2.93Å; I633-L635 PolarHBondContact O-N 3.09Å; L635-Q637 VanDerWaalsContact C-N 3.33Å; L635-Q637 PolarHBondContact O-N 3.15Å; L635-M638 WeakPolarHBondContact O-CB 3.39Å; L635-M638 PolarHBondContact O-N 2.95Å; L635-M638 VanDerWaalsContact O-N 3.14Å; L635-E639 WeakPolarHBondContact O-CG 3.5Å; L635-E639 PolarHBondContact O-N 2.91Å
636	Q	59.9	Low	62.8	Low	49 Å²	49	92.9 Å²	92.9	23%	0.229	47%	0.465	C	S	.	.	H	α-helix	trans	-63	-36.7	176.5	-74.3	178.3	-15.4	0	0	112.7	Q632 I633 E639 L640	Q632-Q636 WeakPolarHBondContact O-CG 3.48Å; Q632-Q636 PolarHBondContact O-N 3.33Å; I633-Q636 PolarHBondContact O-N 3.19Å; Q636-E639 PolarHBondContact O-N 3.47Å; Q636-L640 VanDerWaalsContact O-CB 3.29Å; Q636-L640 WeakPolarHBondContact O-CB 3.46Å; Q636-L640 VanDerWaalsContact O-CG 3.23Å; Q636-L640 WeakPolarHBondContact O-CG 3.32Å; Q636-L640 PolarHBondContact O-N 3.25Å
637	Q	67.9	Low	62.1	Low	119 Å²	119	91 Å²	91	56%	0.556	46%	0.456	S	S	*	.	H	α-helix	trans	-66	-39	173.2	-75.2	176.3	-9.2	0	0	111.7	I633 Q634 L635 A641	I633-Q637 HydrophobicContact CG2-CG 4.44Å; I633-Q637 WeakPolarHBondContact O-CB 3.41Å; I633-Q637 WeakPolarHBondContact O-CG 3.31Å; I633-Q637 PolarHBondContact O-N 3.01Å; Q634-Q637 PolarHBondContact O-N 3.26Å; L635-Q637 VanDerWaalsContact C-N 3.33Å; L635-Q637 PolarHBondContact O-N 3.15Å; Q637-A641 WeakPolarHBondContact O-CB 3.49Å; Q637-A641 PolarHBondContact O-N 3.35Å
638	M	65.9	Low	61.6	Low	120 Å²	120	92.6 Å²	92.6	59%	0.591	46%	0.46	S	S	*	.	H	α-helix	trans	-67.2	-39.9	174.7	-170.4	-172.2	-57.2	0	0	112.1	Q634 L635 S642	Q634-M638 WeakPolarHBondContact O-CB 3.43Å; Q634-M638 PolarHBondContact O-N 3.35Å; L635-M638 WeakPolarHBondContact O-CB 3.39Å; L635-M638 PolarHBondContact O-N 2.95Å; L635-M638 VanDerWaalsContact O-N 3.14Å; M638-S642 VanDerWaalsContact O-CB 3.3Å; M638-S642 WeakPolarHBondContact O-CB 3.44Å; M638-S642 PolarHBondContact O-N 3.31Å; M638-S642 PolarHBondContact O-OG 2.89Å
639	E	59.6	Low	61.2	Low	90 Å²	90	92.8 Å²	92.8	42%	0.421	47%	0.465	S	S	.	.	H	α-helix	trans	-66.3	-45.6	174.5	-73.6	176.9	166.6	0	0	111.3	L635 Q636 S642 L643	L635-E639 WeakPolarHBondContact O-CG 3.5Å; L635-E639 PolarHBondContact O-N 2.91Å; Q636-E639 PolarHBondContact O-N 3.47Å; E639-S642 WeakPolarHBondContact O-CB 3.45Å; E639-S642 PolarHBondContact O-N 2.88Å; E639-L643 WeakPolarHBondContact O-CB 3.35Å; E639-L643 PolarHBondContact O-N 3.3Å
640	L	61.4	Low	60.6	Low	112 Å²	112	94.6 Å²	94.6	59%	0.586	48%	0.475	S	S	*	.	H	α-helix	trans	-65.9	-36.8	175.6	-73.8	170	0	0	0	112.7	Q636 L643 R644	Q636-L640 VanDerWaalsContact O-CB 3.29Å; Q636-L640 WeakPolarHBondContact O-CB 3.46Å; Q636-L640 VanDerWaalsContact O-CG 3.23Å; Q636-L640 WeakPolarHBondContact O-CG 3.32Å; Q636-L640 PolarHBondContact O-N 3.25Å; L640-L643 PolarHBondContact O-N 2.97Å; L640-R644 VanDerWaalsContact O-CB 3.27Å; L640-R644 WeakPolarHBondContact O-CB 3.43Å; L640-R644 PolarHBondContact O-N 2.69Å
641	A	63.4	Low	59.3	Low	43 Å²	43	97 Å²	97	36%	0.355	48%	0.481	S	S	.	.	H	α-helix	trans	-66.2	-41	171.9	0	0	0	0	0	111.2	Q637 R644 N645	Q637-A641 WeakPolarHBondContact O-CB 3.49Å; Q637-A641 PolarHBondContact O-N 3.35Å; A641-R644 PolarHBondContact O-N 2.9Å; A641-N645 VanDerWaalsContact O-CB 3.27Å; A641-N645 WeakPolarHBondContact O-CB 3.28Å; A641-N645 PolarHBondContact O-N 3.33Å
642	S	65.2	Low	57.7	Low	72 Å²	72	93.8 Å²	93.8	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-64.5	-40.5	175.1	-60.3	0	0	0	0	112.1	M638 E639 N645 W646	M638-S642 VanDerWaalsContact O-CB 3.3Å; M638-S642 WeakPolarHBondContact O-CB 3.44Å; M638-S642 PolarHBondContact O-N 3.31Å; M638-S642 PolarHBondContact O-OG 2.89Å; E639-S642 WeakPolarHBondContact O-CB 3.45Å; E639-S642 PolarHBondContact O-N 2.88Å; S642-N645 PolarHBondContact O-N 3.09Å; S642-W646 VanDerWaalsContact O-CB 3.28Å; S642-W646 WeakPolarHBondContact O-CB 3.48Å; S642-W646 PolarHBondContact O-N 3.23Å
643	L	56.1	Low	56.4	Low	80 Å²	80	98.5 Å²	98.5	42%	0.419	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-44.9	173.7	-106.5	152.5	0	0	0	111.8	E639 L640 W646 C647	E639-L643 WeakPolarHBondContact O-CB 3.35Å; E639-L643 PolarHBondContact O-N 3.3Å; L640-L643 PolarHBondContact O-N 2.97Å; L643-W646 PolarHBondContact O-N 3.05Å; L643-C647 WeakPolarHBondContact O-CB 3.29Å; L643-C647 PolarHBondContact O-N 3.09Å; L643-C647 PolarHBondContact O-SG 3.34Å; L643-C647 VanDerWaalsContact O-SG 3.33Å
644	R	58.6	Low	54.7	Low	175 Å²	175	95.6 Å²	95.6	66%	0.66	49%	0.492	S	S	*	.	H	α-helix	trans	-61.1	-44.2	174.4	177	178.6	-77.4	174	-5.5	111.3	L640 A641 C647 H648	L640-R644 VanDerWaalsContact O-CB 3.27Å; L640-R644 WeakPolarHBondContact O-CB 3.43Å; L640-R644 PolarHBondContact O-N 2.69Å; A641-R644 PolarHBondContact O-N 2.9Å; R644-C647 PolarHBondContact O-N 3.34Å; R644-H648 WeakPolarHBondContact CG-NE2 3.27Å; R644-H648 WeakPolarHBondContact O-CB 3.4Å; R644-H648 PolarHBondContact O-CD2 3.33Å; R644-H648 VanDerWaalsContact O-CG 3.32Å; R644-H648 PolarHBondContact O-N 2.87Å
645	N	61.4	Low	53.2	Low	90 Å²	90	100.6 Å²	100.6	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-69.1	-34.9	177.4	-71.6	-6.9	0	0	0	112	A641 S642 H648 S649	A641-N645 VanDerWaalsContact O-CB 3.27Å; A641-N645 WeakPolarHBondContact O-CB 3.28Å; A641-N645 PolarHBondContact O-N 3.33Å; S642-N645 PolarHBondContact O-N 3.09Å; N645-H648 PolarHBondContact O-N 2.77Å; N645-S649 VanDerWaalsContact O-CB 3.3Å; N645-S649 WeakPolarHBondContact O-CB 3.47Å; N645-S649 PolarHBondContact O-N 2.83Å
646	W	62.7	Low	51.8	Low	160 Å²	160	102.1 Å²	102.1	61%	0.606	52%	0.521	S	S	*	.	H	α-helix	trans	-64	-48.9	171.6	-177.9	77.5	0	0	0	111	S642 L643 H648 S649 T650	S642-W646 VanDerWaalsContact O-CB 3.28Å; S642-W646 WeakPolarHBondContact O-CB 3.48Å; S642-W646 PolarHBondContact O-N 3.23Å; L643-W646 PolarHBondContact O-N 3.05Å; W646-H648 PolarHBondContact O-N 3.21Å; W646-S649 CarbonylContact O-C 3.59Å; W646-S649 WeakPolarHBondContact O-CA 3.48Å; W646-S649 WeakPolarHBondContact O-CB 3.17Å; W646-S649 PolarHBondContact O-N 3.48Å; W646-T650 HydrophobicContact CD2-CG2 4.16Å; W646-T650 HydrophobicContact CZ2-CG2 3.97Å; W646-T650 WeakPolarHBondContact O-CG2 3.35Å; W646-T650 PolarHBondContact O-N 2.88Å; W646-T650 PolarHBondContact O-OG1 3.24Å; W646-T650 VanDerWaalsContact O-OG1 3.13Å
647	C	43.2	Very low	50.6	Low	47 Å²	47	102.6 Å²	102.6	32%	0.318	53%	0.53	S	S	.	.	H	α-helix	trans	-59.9	-41.8	173.8	-68.3	0	0	0	0	112.3	L643 R644 S649 T650 Y651	L643-C647 WeakPolarHBondContact O-CB 3.29Å; L643-C647 PolarHBondContact O-N 3.09Å; L643-C647 PolarHBondContact O-SG 3.34Å; L643-C647 VanDerWaalsContact O-SG 3.33Å; R644-C647 PolarHBondContact O-N 3.34Å; C647-S649 VanDerWaalsContact C-N 3.28Å; C647-S649 PolarHBondContact O-N 3.15Å; C647-T650 WeakPolarHBondContact CA-OG1 3.33Å; C647-T650 PolarHBondContact O-N 3.02Å; C647-T650 PolarHBondContact O-OG1 3.26Å; C647-Y651 WeakPolarHBondContact O-CB 3.38Å; C647-Y651 WeakPolarHBondContact O-CD2 3.43Å; C647-Y651 PolarHBondContact O-N 3.08Å
648	H	51.3	Low	48.9	Very low	122 Å²	122	101.7 Å²	101.7	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-28.4	173.6	-69.6	-39.8	0	0	0	112.7	R644 N645 W646 G652	R644-H648 WeakPolarHBondContact CG-NE2 3.27Å; R644-H648 WeakPolarHBondContact O-CB 3.4Å; R644-H648 PolarHBondContact O-CD2 3.33Å; R644-H648 VanDerWaalsContact O-CG 3.32Å; R644-H648 PolarHBondContact O-N 2.87Å; N645-H648 PolarHBondContact O-N 2.77Å; W646-H648 PolarHBondContact O-N 3.21Å; H648-G652 WeakPolarHBondContact O-CA 3.2Å; H648-G652 PolarHBondContact O-N 2.97Å
649	S	50.2	Low	47.4	Very low	80 Å²	80	102 Å²	102	56%	0.559	55%	0.545	S	S	*	.	H	α-helix	trans	-79.1	-27.6	173.9	-172.4	0	0	0	0	113.5	N645 W646 C647	N645-S649 VanDerWaalsContact O-CB 3.3Å; N645-S649 WeakPolarHBondContact O-CB 3.47Å; N645-S649 PolarHBondContact O-N 2.83Å; W646-S649 CarbonylContact O-C 3.59Å; W646-S649 WeakPolarHBondContact O-CA 3.48Å; W646-S649 WeakPolarHBondContact O-CB 3.17Å; W646-S649 PolarHBondContact O-N 3.48Å; C647-S649 VanDerWaalsContact C-N 3.28Å; C647-S649 PolarHBondContact O-N 3.15Å
650	T	45.3	Very low	46.2	Very low	69 Å²	69	105.3 Å²	105.3	42%	0.423	57%	0.565	S	S	.	*	H	α-helix	trans	-89.1	-28.1	178.5	53.5	0	0	0	0	113.3	W646 C647	W646-T650 HydrophobicContact CD2-CG2 4.16Å; W646-T650 HydrophobicContact CZ2-CG2 3.97Å; W646-T650 WeakPolarHBondContact O-CG2 3.35Å; W646-T650 PolarHBondContact O-N 2.88Å; W646-T650 PolarHBondContact O-OG1 3.24Å; W646-T650 VanDerWaalsContact O-OG1 3.13Å; C647-T650 WeakPolarHBondContact CA-OG1 3.33Å; C647-T650 PolarHBondContact O-N 3.02Å; C647-T650 PolarHBondContact O-OG1 3.26Å
651	Y	37.8	Very low	44.8	Very low	157 Å²	157	107.7 Å²	107.7	62%	0.616	58%	0.577	S	S	*	*	H	α-helix	trans	-107.8	-18.7	178.9	-67.8	-91.5	0	0	0	114	C647 G654	C647-Y651 WeakPolarHBondContact O-CB 3.38Å; C647-Y651 WeakPolarHBondContact O-CD2 3.43Å; C647-Y651 PolarHBondContact O-N 3.08Å; Y651-G654 PolarHBondContact O-N 3.19Å
652	G	36.4	Very low	43.3	Very low	49 Å²	49	113.3 Å²	113.3	51%	0.505	60%	0.6	S	S	.	*	S	Bend	trans	-77.2	-32.8	-173	0	0	0	0	0	115.5	H648 G654	H648-G652 WeakPolarHBondContact O-CA 3.2Å; H648-G652 PolarHBondContact O-N 2.97Å; G652-G654 VanDerWaalsContact C-N 3.27Å
653	E	35.8	Very low	41.7	Very low	167 Å²	167	116.2 Å²	116.2	78%	0.78	62%	0.615	S	S	*	*	S	Bend	trans	-81.8	-6.2	173.7	-61.9	-168.8	139	0	0	112.5
654	G	32.1	Very low	40.5	Very low	26 Å²	26	118.7 Å²	118.7	27%	0.268	63%	0.634	S	S	.	*			trans	-94	6.6	-169.1	0	0	0	0	0	117.1	Y651 G652 D656 S657	Y651-G654 PolarHBondContact O-N 3.19Å; G652-G654 VanDerWaalsContact C-N 3.27Å; G654-D656 PolarHBondContact O-N 3.37Å; G654-S657 CarbonylContact O-C 3.5Å; G654-S657 PolarHBondContact O-N 2.76Å
655	K	35.5	Very low	39	Very low	198 Å²	198	115.2 Å²	115.2	86%	0.861	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-12.3	-170.3	-85.1	-166.3	171.9	-173	0	116.8
656	D	38.4	Very low	37.5	Very low	120 Å²	120	117.3 Å²	117.3	64%	0.642	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	15.4	169.7	-66.7	-51.9	0	0	0	112.5	P336 G654	P336-D656 HydrophobicContact CB-CB 4.48Å; P336-D656 HydrophobicContact CG-CB 3.84Å; P336-D656 WeakPolarHBondContact CG-OD2 3.45Å; G654-D656 PolarHBondContact O-N 3.37Å
657	S	34.3	Very low	36	Very low	59 Å²	59	118.4 Å²	118.4	41%	0.413	66%	0.658	S	S	.	*			trans	-155.3	60.2	-178.2	-69.3	0	0	0	0	112.8	N340 G654	N340-S657 PolarHBondContact ND2-OG 3.19Å; G654-S657 CarbonylContact O-C 3.5Å; G654-S657 PolarHBondContact O-N 2.76Å
658	S	32.4	Very low	35.4	Very low	99 Å²	99	121.4 Å²	121.4	69%	0.692	68%	0.679	S	S	*	*			trans	-72.8	162.4	152.3	-169.7	0	0	0	0	109.9
659	V	35.2	Very low	34.3	Very low	127 Å²	127	120 Å²	120	77%	0.77	69%	0.689	S	S	*	*	S	Bend	trans	84.7	132.5	-170.4	-177.5	0	0	0	0	115
660	L	34.2	Very low	33.5	Very low	159 Å²	159	123 Å²	123	83%	0.832	70%	0.703	S	S	*	*	S	Bend	trans	73.1	74.7	175.5	-71.5	160.2	0	0	0	118.8
661	L	32.1	Very low	32.7	Very low	162 Å²	162	130.9 Å²	130.9	85%	0.848	73%	0.725	S	S	*	*	S	Bend		-169.3	59.9	125.6	-108.6	165.2	0	0	0	115.7
662	L	31.5	Very low	32.2	Very low	161 Å²	161	129 Å²	129	84%	0.843	73%	0.733	S	S	*	*	S	Bend	trans	-143	49	169.6	-127.4	175.5	0	0	0	113.6
663	T	30.9	Very low	32.1	Very low	134 Å²	134	132.7 Å²	132.7	82%	0.822	75%	0.751	S	S	*	*			trans	-153.5	47.2	176.6	-15.2	0	0	0	0	115.4	C665	T663-C665 VanDerWaalsContact C-N 3.27Å; T663-C665 PolarHBondContact O-N 2.92Å; T663-C665 VanDerWaalsContact O-N 3.09Å
664	T	30.8	Very low	31.8	Very low	132 Å²	132	136 Å²	136	81%	0.81	76%	0.756	S	S	*	*			trans	-82.6	63.3	168.2	36.6	0	0	0	0	112.8
665	C	27.9	Very low	31.8	Very low	101 Å²	101	142 Å²	142	68%	0.682	78%	0.781	S	S	*	*	S	Bend	trans	-160.5	121.6	155.4	-104	0	0	0	0	113.6	T663	T663-C665 VanDerWaalsContact C-N 3.27Å; T663-C665 PolarHBondContact O-N 2.92Å; T663-C665 VanDerWaalsContact O-N 3.09Å
666	N	30.2	Very low	31.7	Very low	135 Å²	135	139.2 Å²	139.2	72%	0.722	78%	0.775	S	S	*	*			trans	68.9	107.5	161.1	-55.1	-34.7	0	0	0	119.5
667	H	30	Very low	31.2	Very low	183 Å²	183	144.4 Å²	144.4	85%	0.847	79%	0.786	S	S	*	*			trans	26.6	131.7	131.7	-50.3	-29.7	0	0	0	119
668	S	30.2	Very low	31.1	Very low	109 Å²	109	150.3 Å²	150.3	76%	0.762	81%	0.807	S	S	*	*			cis	-169.7	158.3	25.9	49.6	0	0	0	0	112.3
669	A	29.1	Very low	31.3	Very low	93 Å²	93	155.2 Å²	155.2	77%	0.769	82%	0.819	S	S	*	*			trans	29.5	129.7	156.4	0	0	0	0	0	119.3
670	V	33	Very low	31.1	Very low	142 Å²	142	155.2 Å²	155.2	86%	0.861	82%	0.819	S	S	*	*				-152.5	159.5	56.9	164.4	0	0	0	0	110.9
671	R	29.1	Very low	30.9	Very low	235 Å²	235	156.6 Å²	156.6	89%	0.887	82%	0.821	S	S	*	*			trans	-77.3	150	177.6	-91	-178	169.7	171.9	-4.2	113.5
672	P	28	Very low	30.9	Very low	119 Å²	119	158.6 Å²	158.6	77%	0.773	83%	0.826	S	S	*	*			trans	-80.8	174.3	175	35.6	-37.3	0	0	0	113.1
673	S	33.8	Very low	31	Very low	126 Å²	126	155.2 Å²	155.2	88%	0.881	82%	0.822	S	S	*	*			trans	-132.2	147.5	166.3	-68.4	0	0	0	0	110.4
674	R	28.7	Very low	30.9	Very low	237 Å²	237	158.6 Å²	158.6	89%	0.894	83%	0.825	S	S	*	*			trans	-94.2	-175.7	178.7	-95.2	-177.6	169.7	176.3	-3.2	111
675	L	32.8	Very low	31	Very low	150 Å²	150	161.4 Å²	161.4	79%	0.785	83%	0.829	S	S	*	*			trans	91.6	137	168.2	-49.4	-180	0	0	0	113.9
676	D	33.8	Very low	31.1	Very low	140 Å²	140	159.8 Å²	159.8	75%	0.749	83%	0.83	S	S	*	*			cis	-146.8	174.3	-1.2	-125.2	-35.5	0	0	0	114.5
677	R	27.8	Very low	31.3	Very low	229 Å²	229	165.3 Å²	165.3	86%	0.864	84%	0.84	S	S	*	*			trans	-111	70.6	-171.2	-172.6	-172.3	160.2	141.7	-4.4	112.9
678	E	31.9	Very low	31.4	Very low	183 Å²	183	168.2 Å²	168.2	86%	0.855	84%	0.844	S	S	*	*			trans	-136.5	79.4	172.4	-70	-168.9	136.1	0	0	111.5
679	E	36.2	Very low	31.5	Very low	202 Å²	202	171.9 Å²	171.9	94%	0.944	84%	0.841	S	S	*	*			trans	-165.2	65.4	159.8	-115.9	170.3	-143.5	0	0	110.6
680	V	30.9	Very low	31.7	Very low	128 Å²	128	173.4 Å²	173.4	78%	0.776	84%	0.843	S	S	*	*			trans	-122.5	147.1	164	179.6	0	0	0	0	106.1
681	E	30.6	Very low	31.7	Very low	187 Å²	187	171.2 Å²	171.2	87%	0.874	83%	0.832	S	S	*	*	S	Bend	trans	90.6	33.5	-179.1	-48.2	-165.6	139	0	0	119.3
682	E	32.3	Very low	31.6	Very low	204 Å²	204	166.8 Å²	166.8	95%	0.953	83%	0.825	S	S	*	*	S	Bend	trans	-153	81.6	156.9	-126.8	173	-148.3	0	0	115.3
683	A	33.1	Very low	31.7	Very low	90 Å²	90	172.6 Å²	172.6	74%	0.744	83%	0.832	S	S	*	*	S	Bend	trans	-158	-38.7	171.9	0	0	0	0	0	115.8	H685	A683-H685 VanDerWaalsContact C-N 3.31Å; A683-H685 PolarHBondContact O-N 3.34Å; A683-H685 VanDerWaalsContact O-N 3.08Å
684	F	28.7	Very low	31.5	Very low	205 Å²	205	170.4 Å²	170.4	90%	0.899	82%	0.816	S	S	*	*	S	Bend	trans	-88.1	37.3	-164.9	-91.4	-83.1	0	0	0	115.9
685	H	33	Very low	31.5	Very low	191 Å²	191	166.5 Å²	166.5	88%	0.884	81%	0.813	S	S	*	*			trans	-130.9	102	174	-84.3	7.6	0	0	0	112.1	A683	A683-H685 VanDerWaalsContact C-N 3.31Å; A683-H685 PolarHBondContact O-N 3.34Å; A683-H685 VanDerWaalsContact O-N 3.08Å
686	G	31.2	Very low	31.2	Very low	68 Å²	68	164 Å²	164	70%	0.701	81%	0.809	S	S	*	*	S	Bend	trans	135.1	67.7	155.8	0	0	0	0	0	119
687	R	33.7	Very low	31	Very low	251 Å²	251	165.4 Å²	165.4	95%	0.947	81%	0.81	S	S	*	*				-177.3	120	118	-94.8	150.9	-155.4	-97.7	1.9	112.4
688	R	31	Very low	30.9	Very low	243 Å²	243	162.1 Å²	162.1	92%	0.917	80%	0.804	S	S	*	*			trans	-73.6	162.2	162.6	-70.8	-178.8	169.1	-160.6	-5.4	110
689	R	33.9	Very low	30.7	Very low	187 Å²	187	162.2 Å²	162.2	71%	0.706	80%	0.802	S	S	*	*			trans	-48.6	154.6	173	-68.2	179.2	175.4	166.2	-1.9	112.6
690	P	32.9	Very low	30.4	Very low	125 Å²	125	158.1 Å²	158.1	81%	0.812	80%	0.796	S	S	*	*				-116.1	131.3	124.2	33.2	-30.8	0	0	0	111.4
691	P	32.6	Very low	30.4	Very low	96 Å²	96	156.3 Å²	156.3	62%	0.623	79%	0.794	S	S	*	*			trans	-92.9	176.7	164.9	39.1	-34.2	0	0	0	111.5
692	L	26.8	Very low	30.5	Very low	142 Å²	142	156.4 Å²	156.4	74%	0.743	80%	0.795	S	S	*	*			trans	68.3	129.9	167.8	-59.6	160.8	0	0	0	117.1
693	W	30.9	Very low	30.4	Very low	241 Å²	241	151.6 Å²	151.6	91%	0.913	78%	0.782	S	S	*	*				-152.6	135.1	104	-76.4	-4.3	0	0	0	105.3
694	S	30	Very low	30.1	Very low	80 Å²	80	157.6 Å²	157.6	56%	0.559	79%	0.786	S	S	*	*			cis	69.9	87.3	18.2	86	0	0	0	0	116
695	N	27.7	Very low	30.2	Very low	154 Å²	154	155.4 Å²	155.4	82%	0.824	78%	0.783	S	S	*	*			trans	169.2	155.4	153.2	-89.5	-25.2	0	0	0	109.4
696	S	27	Very low	30.3	Very low	99 Å²	99	150.9 Å²	150.9	69%	0.692	77%	0.77	S	S	*	*			cis	-166.6	166.6	-18.1	50.9	0	0	0	0	110.9
697	H	28.3	Very low	30.4	Very low	168 Å²	168	154.4 Å²	154.4	78%	0.778	78%	0.778	S	S	*	*			trans	-28.1	152	166.7	-72.7	-73.7	0	0	0	120.7
698	Q	27.2	Very low	30.5	Very low	160 Å²	160	145.8 Å²	145.8	75%	0.748	77%	0.768	S	S	*	*			trans	82.8	108	140	-76.8	169.3	35.4	0	0	122.3
699	K	27.9	Very low	30.5	Very low	185 Å²	185	142 Å²	142	80%	0.804	76%	0.76	S	S	*	*				70.8	140.8	126.1	-70.1	-174.5	174.4	-179.7	0	122.1
700	S	29.5	Very low	30.6	Very low	117 Å²	117	140.1 Å²	140.1	82%	0.818	76%	0.76	S	S	*	*			trans	79.2	143	153.4	-60.4	0	0	0	0	118.5
701	A	31.3	Very low	30.6	Very low	89 Å²	89	137.9 Å²	137.9	74%	0.736	75%	0.752	S	S	*	*			cis	-167.3	135.3	-19.2	0	0	0	0	0	111.1
702	E	31.9	Very low	30.6	Very low	189 Å²	189	141.5 Å²	141.5	88%	0.883	75%	0.754	S	S	*	*			trans	178.5	143.9	154.2	-104.5	173.3	169.3	0	0	108.2
703	C	29.1	Very low	31	Very low	103 Å²	103	143.2 Å²	143.2	70%	0.696	75%	0.752	S	S	*	*			cis	-155.1	143.6	-12.2	-146.7	0	0	0	0	111.8
704	R	28.5	Very low	31	Very low	217 Å²	217	137.4 Å²	137.4	82%	0.819	74%	0.739	S	S	*	*			trans	67.2	102.2	161.4	-64.8	-179.9	176.8	171	-0.2	122.4
705	L	31	Very low	31.3	Very low	159 Å²	159	141.2 Å²	141.2	83%	0.832	75%	0.748	S	S	*	*				56.1	153.7	110.9	-62.6	167.4	0	0	0	121.8
706	P	35	Very low	31.5	Very low	96 Å²	96	137.7 Å²	137.7	62%	0.623	74%	0.74	S	S	*	*			cis	-147.9	163.7	-37.5	41.5	-23.7	0	0	0	117.9
707	T	31.7	Very low	31.7	Very low	141 Å²	141	138.2 Å²	138.2	87%	0.865	74%	0.739	S	S	*	*			trans	58.4	133.5	141.7	51.4	0	0	0	0	124.9
708	G	36.1	Very low	31.9	Very low	71 Å²	71	138.4 Å²	138.4	73%	0.732	74%	0.738	S	S	*	*			trans	122.3	137.7	144.4	0	0	0	0	0	115.8
709	Q	31.5	Very low	32.2	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.762	73%	0.733	S	S	*	*			cis	-165.6	155.9	-15.3	-147.6	167	-61.5	0	0	110.5
710	E	36.5	Very low	32.2	Very low	147 Å²	147	134 Å²	134	69%	0.687	73%	0.732	S	S	*	*			trans	57.1	135	170.5	-77.3	122.2	-137.1	0	0	119.1
711	A	31.9	Very low	32.6	Very low	79 Å²	79	133.4 Å²	133.4	65%	0.653	73%	0.726	S	S	*	*			cis	82	138.8	39.9	0	0	0	0	0	113
712	Y	32.3	Very low	32.4	Very low	171 Å²	171	134.4 Å²	134.4	67%	0.671	73%	0.726	S	S	*	*			cis	-172.2	158.4	46.6	-113.1	-69.7	0	0	0	112.5
713	Y	36.3	Very low	32.2	Very low	179 Å²	179	130.8 Å²	130.8	70%	0.702	72%	0.717	S	S	*	*			trans	58.7	158.5	156.2	-58.5	-47.5	0	0	0	118.2
714	N	31.5	Very low	32.1	Very low	119 Å²	119	130.9 Å²	130.9	64%	0.636	72%	0.719	S	S	*	*			cis	-163.5	-178	-17.2	-107	2.1	0	0	0	107.3
715	E	36	Very low	32	Very low	159 Å²	159	128.5 Å²	128.5	74%	0.743	72%	0.715	S	S	*	*			cis	-149	134.2	0.6	-121.9	147.2	-100	0	0	105.6
716	A	31.1	Very low	32.2	Very low	80 Å²	80	128 Å²	128	66%	0.661	71%	0.708	S	S	*	*				78.9	121	82.7	0	0	0	0	0	117.1
717	V	31.7	Very low	31.9	Very low	110 Å²	110	131.7 Å²	131.7	67%	0.667	72%	0.717	S	S	*	*				67.9	134.8	125.6	171.2	0	0	0	0	118
718	F	31.9	Very low	31.7	Very low	172 Å²	172	128.8 Å²	128.8	75%	0.754	70%	0.702	S	S	*	*			cis	-113	141.7	23.7	-84.2	-100.4	0	0	0	112.9
719	E	33.5	Very low	31.4	Very low	141 Å²	141	131.3 Å²	131.3	66%	0.659	70%	0.704	S	S	*	*				62.2	118.9	80.3	-60.3	-175.4	177.1	0	0	114
720	S	28.8	Very low	31.2	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	71%	0.705	S	S	*	*				78.2	162.9	59.7	-64.4	0	0	0	0	113.2
721	P	37.4	Very low	30.7	Very low	105 Å²	105	127.5 Å²	127.5	68%	0.682	70%	0.699	S	S	*	*			cis	-138.2	-163.6	-49.4	39.7	-22.9	0	0	0	112.1
722	C	26.2	Very low	30.5	Very low	110 Å²	110	133.4 Å²	133.4	74%	0.743	70%	0.704	S	S	*	*			trans	69.2	164.6	150.4	-70.7	0	0	0	0	117.7
723	T	28.6	Very low	30.4	Very low	113 Å²	113	133.5 Å²	133.5	69%	0.693	71%	0.708	S	S	*	*			cis	-162.7	152.1	-12.1	16.4	0	0	0	0	109.8
724	S	26.7	Very low	30	Very low	105 Å²	105	136 Å²	136	73%	0.734	72%	0.717	S	S	*	*			trans	65	170.9	146.9	77.3	0	0	0	0	116.8
725	F	26.8	Very low	29.9	Very low	168 Å²	168	133.2 Å²	133.2	74%	0.737	72%	0.716	S	S	*	*			cis	-154.2	170.7	-5.7	-145.4	-145	0	0	0	109.8
726	E	34.2	Very low	29.6	Very low	149 Å²	149	131.2 Å²	131.2	70%	0.696	72%	0.72	S	S	*	*			trans	64.4	137.6	162.7	-72	164.8	-169.9	0	0	116.5
727	E	28.8	Very low	29.6	Very low	172 Å²	172	133.6 Å²	133.6	80%	0.804	72%	0.72	S	S	*	*				65.4	144.7	53.1	-66.6	-156.9	-176.7	0	0	113
728	S	28.4	Very low	29.5	Very low	80 Å²	80	136.6 Å²	136.6	56%	0.559	73%	0.727	S	S	*	*			cis	-161.6	178.7	-5.1	-117	0	0	0	0	109.4
729	T	30	Very low	29.6	Very low	125 Å²	125	132.3 Å²	132.3	77%	0.767	72%	0.723	S	S	*	*			trans	63.1	119.1	160.8	48.9	0	0	0	0	118.4
730	N	26.2	Very low	29.4	Very low	145 Å²	145	132 Å²	132	78%	0.775	73%	0.726	S	S	*	*				83.5	145.5	58	-169	7	0	0	0	113.5
731	C	26.4	Very low	29.8	Very low	84 Å²	84	133.1 Å²	133.1	57%	0.568	72%	0.718	S	S	*	*			trans	77.4	105.6	164.6	-82.8	0	0	0	0	121.4
732	R	28.1	Very low	29.7	Very low	203 Å²	203	136.5 Å²	136.5	77%	0.766	72%	0.718	S	S	*	*				90.6	134.6	113.6	-78.2	173.1	166.7	178.5	-1.9	121.1
733	K	30.6	Very low	30.3	Very low	173 Å²	173	142.4 Å²	142.4	75%	0.752	72%	0.724	S	S	*	*			trans	71.3	160.7	143.5	-71.8	171.4	179.8	-177	0	116.6
734	R	28	Very low	30.7	Very low	233 Å²	233	140.7 Å²	140.7	88%	0.879	73%	0.729	S	S	*	*			cis	178.8	126.9	-26.1	170.8	-165.1	-107	-158	-5	106.5
735	G	27.7	Very low	31.4	Very low	60 Å²	60	141 Å²	141	62%	0.619	73%	0.731	S	S	*	*			trans	149	147.7	172.4	0	0	0	0	0	110.3
736	S	29.7	Very low	32	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	74%	0.739	S	S	*	*			cis	69.9	136.5	34.5	-49.4	0	0	0	0	112
737	I	31.2	Very low	32.2	Very low	130 Å²	130	139 Å²	139	67%	0.667	74%	0.739	S	S	*	*			cis	-157.8	148.1	12.6	-135.2	162.6	0	0	0	111.3
738	E	30.8	Very low	32.7	Very low	173 Å²	173	142.6 Å²	142.6	81%	0.808	75%	0.745	S	S	*	*			trans	54.3	-173.8	161.3	-62.2	155.6	-153.1	0	0	115.4
739	A	32.8	Very low	33.2	Very low	81 Å²	81	144 Å²	144	67%	0.669	76%	0.755	S	S	*	*			cis	-144	131.4	-5.7	0	0	0	0	0	108
740	N	29.8	Very low	33.3	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	76%	0.755	S	S	*	*				90	162	93.4	-168.6	19.2	0	0	0	114.2
741	E	36.6	Very low	34.2	Very low	133 Å²	133	140.8 Å²	140.8	62%	0.621	76%	0.757	S	S	*	*			trans	77.8	135	170.1	-53.6	-131.3	138.2	0	0	119.4
742	R	36.3	Very low	34.5	Very low	176 Å²	176	140.8 Å²	140.8	66%	0.664	76%	0.764	S	S	*	*			cis	-170.7	158.9	-24.3	-126	167.3	-168.7	175.7	-3.1	113
743	R	38.1	Very low	34.7	Very low	234 Å²	234	137.5 Å²	137.5	88%	0.883	76%	0.761	S	S	*	*			trans	73.4	133	159.8	-60.8	161.9	-171.7	-103.7	0.8	118.5
744	G	38.1	Very low	34.9	Very low	77 Å²	77	136.9 Å²	136.9	79%	0.794	76%	0.761	S	S	*	*			trans	-178.9	11.9	174.8	0	0	0	0	0	121.1
745	S	41.7	Very low	35.1	Very low	111 Å²	111	129.9 Å²	129.9	78%	0.776	75%	0.748	S	S	*	*			trans	8.2	133.7	160.9	-64.7	0	0	0	0	120.3
746	K	39.6	Very low	35.5	Very low	208 Å²	208	135.1 Å²	135.1	90%	0.904	76%	0.76	S	S	*	*			cis	-166.3	162.1	8.4	-84.1	153.2	178.2	177.4	0	106
747	G	37.6	Very low	35.8	Very low	67 Å²	67	133.1 Å²	133.1	69%	0.691	76%	0.757	S	S	*	*			cis	145.7	158.5	-2	0	0	0	0	0	112
748	R	39.6	Very low	36.1	Very low	249 Å²	249	130.5 Å²	130.5	94%	0.94	76%	0.762	S	S	*	*			trans	70	150.3	174.8	-74.2	-168.5	166.7	-165.3	-5.2	117.7
749	S	38.2	Very low	36.3	Very low	109 Å²	109	130 Å²	130	76%	0.762	77%	0.765	S	S	*	*			cis	-175.4	152.9	-18.8	49.7	0	0	0	0	112.3
750	G	32.6	Very low	36.8	Very low	74 Å²	74	131.6 Å²	131.6	76%	0.763	77%	0.769	S	S	*	*			trans	119	99.6	147.1	0	0	0	0	0	116.8
751	P	43.8	Very low	37.2	Very low	128 Å²	128	128.7 Å²	128.7	83%	0.831	76%	0.764	S	S	*	*			trans	-112.9	179	169.9	40.8	-31.5	0	0	0	113.1
752	A	33.7	Very low	37.3	Very low	85 Å²	85	130.5 Å²	130.5	70%	0.702	77%	0.77	S	S	*	*			trans	121.3	144	138.2	0	0	0	0	0	118.4
753	N	31.9	Very low	37.5	Very low	133 Å²	133	130.7 Å²	130.7	71%	0.711	77%	0.771	S	S	*	*			trans	83.1	147.7	147.5	-93	32.3	0	0	0	123
754	E	35.7	Very low	37.5	Very low	160 Å²	160	126 Å²	126	75%	0.748	76%	0.759	S	S	*	*			trans	68.9	144.5	155.9	-71.7	147.4	-126.3	0	0	119.5
755	S	32.2	Very low	37.5	Very low	86 Å²	86	129.4 Å²	129.4	60%	0.601	75%	0.754	S	S	*	*			cis	176	178.3	-39.7	50.6	0	0	0	0	107.5
756	I	36.5	Very low	37.2	Very low	171 Å²	171	130.6 Å²	130.6	88%	0.877	75%	0.747	S	S	*	*			trans	70.1	131.3	169.8	-51.3	149.2	0	0	0	112.2
757	G	35.3	Very low	37	Very low	74 Å²	74	124.3 Å²	124.3	76%	0.763	74%	0.742	S	S	*	*			cis	156.5	156.3	8.3	0	0	0	0	0	106.7
758	G	36.2	Very low	36.9	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	75%	0.747	S	S	*	*			trans	-178	-16.4	-174.6	0	0	0	0	0	120.7
759	D	35.3	Very low	36.8	Very low	163 Å²	163	124.7 Å²	124.7	87%	0.872	74%	0.739	S	S	*	*			trans	57.3	165.3	167.5	-87.3	-3.1	0	0	0	120.5
760	P	44	Very low	36.9	Very low	115 Å²	115	127.4 Å²	127.4	75%	0.747	74%	0.737	S	S	*	*			trans	-127	-161.5	-162.7	42.4	-25.5	0	0	0	113.1
761	A	39	Very low	37	Very low	75 Å²	75	130.4 Å²	130.4	62%	0.62	74%	0.736	S	S	*	*				163.3	159.5	111.1	0	0	0	0	0	116.1
762	F	38.1	Very low	36.6	Very low	170 Å²	170	127.8 Å²	127.8	75%	0.746	73%	0.732	S	S	*	*			trans	96.3	108.8	166.9	-71.6	-98.8	0	0	0	116.5
763	R	39.6	Very low	36.5	Very low	180 Å²	180	131.2 Å²	131.2	68%	0.679	74%	0.737	S	S	*	*				83.1	141.1	64.6	-86.6	-179.8	130	-160.7	-24.5	111.7
764	E	39.8	Very low	36.4	Very low	136 Å²	136	132.4 Å²	132.4	64%	0.636	74%	0.736	S	S	*	*			cis	-162	162.6	-0.6	-135	154	-159.3	0	0	108.4
765	E	37.5	Very low	36.3	Very low	148 Å²	148	133.2 Å²	133.2	69%	0.692	74%	0.737	S	S	*	*			cis	-136.3	-88.4	1.5	-161.5	-145.7	156.2	0	0	113.5
766	Q	34.5	Very low	36.2	Very low	137 Å²	137	133.7 Å²	133.7	64%	0.64	74%	0.741	S	S	*	*			trans	-154.6	166.9	-161.8	-75.6	178.5	62.4	0	0	112.2
767	G	35.9	Very low	36	Very low	76 Å²	76	132.6 Å²	132.6	78%	0.784	74%	0.737	S	S	*	*			trans	-149.9	-40.8	178.6	0	0	0	0	0	117.5
768	R	36	Very low	35.9	Very low	214 Å²	214	133.4 Å²	133.4	81%	0.808	74%	0.737	S	S	*	*			trans	69.7	152.2	170.6	-70.4	-176.3	169.2	-166.9	-3.9	120.7
769	S	37.8	Very low	35.8	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	72%	0.724	S	S	*	*			trans	81	136.3	159.4	76.2	0	0	0	0	117.8
770	K	38.6	Very low	35.8	Very low	166 Å²	166	129.2 Å²	129.2	72%	0.722	71%	0.705	S	S	*	*			cis	-161.8	149.9	-4.5	-124.8	175.2	157.7	-98.3	0	112.9
771	D	36.4	Very low	35.3	Very low	136 Å²	136	129 Å²	129	73%	0.727	70%	0.701	S	S	*	*			trans	54.7	144.9	152.8	-48.1	-29.5	0	0	0	120.4
772	G	33.5	Very low	34.9	Very low	74 Å²	74	127.6 Å²	127.6	76%	0.763	69%	0.694	S	S	*	*			trans	-168.1	-76	-175.3	0	0	0	0	0	119
773	I	33.4	Very low	34.8	Very low	156 Å²	156	125.9 Å²	125.9	80%	0.8	69%	0.688	S	S	*	*			trans	78	95.8	174.9	-59.6	178.4	0	0	0	118.1
774	F	30	Very low	34.3	Very low	159 Å²	159	124.3 Å²	124.3	70%	0.697	69%	0.687	S	S	*	*				62	136.2	127.8	-81	-67.6	0	0	0	126.8
775	F	31.5	Very low	34	Very low	176 Å²	176	123.7 Å²	123.7	77%	0.772	69%	0.687	S	S	*	*			trans	64	143	145.5	-64.3	-43.4	0	0	0	119.1
776	S	30.3	Very low	34.1	Very low	97 Å²	97	120 Å²	120	68%	0.678	68%	0.677	S	S	*	*			cis	-164.4	146.1	-9	-95.1	0	0	0	0	108.6
777	D	33.4	Very low	34.4	Very low	148 Å²	148	115.7 Å²	115.7	79%	0.791	67%	0.665	S	S	*	*			trans	-163.1	149.8	133.2	-126.1	-26.8	0	0	0	113.1
778	A	32.4	Very low	34.8	Very low	91 Å²	91	116.6 Å²	116.6	75%	0.752	65%	0.652	S	S	*	*			trans	-111.2	11.3	-173.7	0	0	0	0	0	114.1
779	S	34.8	Very low	35.6	Very low	72 Å²	72	110.7 Å²	110.7	50%	0.503	63%	0.634	S	S	.	*			trans	-73.2	-36.7	-173.8	49.7	0	0	0	0	114.1	V781 G782	S779-V781 PolarHBondContact O-N 3.37Å; S779-G782 PolarHBondContact O-N 3.04Å
780	T	35.4	Very low	36.2	Very low	77 Å²	77	111.7 Å²	111.7	47%	0.472	63%	0.626	S	S	.	*	H	α-helix	trans	-64.3	-35.4	-169.2	-28.4	0	0	0	0	113.8	G782 Q783 F784	T780-G782 VanDerWaalsContact C-N 3.28Å; T780-G782 PolarHBondContact O-N 3.32Å; T780-Q783 PolarHBondContact O-N 2.96Å; T780-F784 HydrophobicContact CG2-CE2 4.16Å; T780-F784 WeakPolarHBondContact O-CD2 3.42Å
781	V	32.3	Very low	36.8	Very low	110 Å²	110	108 Å²	108	67%	0.667	62%	0.618	S	S	*	*	H	α-helix	trans	-67.5	-29.3	-176.3	-175.8	0	0	0	0	111.8	S779	S779-V781 PolarHBondContact O-N 3.37Å
782	G	31	Very low	37.7	Very low	46 Å²	46	107.8 Å²	107.8	47%	0.474	61%	0.607	S	S	.	*	H	α-helix	trans	-68.8	-34.6	174.9	0	0	0	0	0	113.3	S779 T780 L785 S786	S779-G782 PolarHBondContact O-N 3.04Å; T780-G782 VanDerWaalsContact C-N 3.28Å; T780-G782 PolarHBondContact O-N 3.32Å; G782-L785 PolarHBondContact O-N 3.04Å; G782-S786 PolarHBondContact O-N 3.22Å
783	Q	36.4	Very low	39.1	Very low	135 Å²	135	110.1 Å²	110.1	63%	0.631	60%	0.598	S	S	*	*	H	α-helix	trans	-69.7	-37.2	-178.2	-69.1	178.1	-32.1	0	0	112.3	T780 L785 S786 A787	T780-Q783 PolarHBondContact O-N 2.96Å; Q783-L785 VanDerWaalsContact C-N 3.27Å; Q783-L785 PolarHBondContact O-N 3.15Å; Q783-S786 PolarHBondContact O-N 3.34Å; Q783-A787 PolarHBondContact O-N 3.12Å
784	F	29.1	Very low	40	Very low	146 Å²	146	108.1 Å²	108.1	64%	0.64	59%	0.585	S	S	*	*	H	α-helix	trans	-64	-29	174.8	-81.2	-77.3	0	0	0	113.6	T780 N788	T780-F784 HydrophobicContact CG2-CE2 4.16Å; T780-F784 WeakPolarHBondContact O-CD2 3.42Å; F784-N788 PolarHBondContact O-ND2 3.47Å
785	L	33.1	Very low	40.9	Very low	124 Å²	124	104.3 Å²	104.3	65%	0.649	57%	0.57	S	S	*	*	H	α-helix	trans	-79.4	-39.7	172.4	-67.8	174.3	0	0	0	111.8	G782 Q783 N788 E789	G782-L785 PolarHBondContact O-N 3.04Å; Q783-L785 VanDerWaalsContact C-N 3.27Å; Q783-L785 PolarHBondContact O-N 3.15Å; L785-N788 PolarHBondContact O-N 3.16Å; L785-E789 PolarHBondContact O-N 2.77Å
786	S	40.3	Very low	42.3	Very low	69 Å²	69	98.3 Å²	98.3	48%	0.483	55%	0.554	S	S	.	*	H	α-helix	trans	-61.3	-45.7	177	-165.3	0	0	0	0	112.4	G782 Q783 N788 E789 E790	G782-S786 PolarHBondContact O-N 3.22Å; Q783-S786 PolarHBondContact O-N 3.34Å; S786-N788 VanDerWaalsContact C-N 3.28Å; S786-N788 PolarHBondContact O-N 3.18Å; S786-E789 PolarHBondContact O-N 2.93Å; S786-E790 PolarHBondContact O-N 3.32Å
787	A	39.9	Very low	43.7	Very low	47 Å²	47	97.4 Å²	97.4	39%	0.388	54%	0.544	S	S	.	.	H	α-helix	trans	-62.8	-35	176.9	0	0	0	0	0	112.1	Q783 E789 V791	Q783-A787 PolarHBondContact O-N 3.12Å; A787-E789 VanDerWaalsContact C-N 3.3Å; A787-E789 PolarHBondContact O-N 3.26Å; A787-V791 WeakPolarHBondContact O-CB 3.49Å; A787-V791 VanDerWaalsContact O-CG2 3.28Å; A787-V791 WeakPolarHBondContact O-CG2 3.46Å; A787-V791 PolarHBondContact O-N 3.18Å
788	N	44.8	Very low	44.4	Very low	95 Å²	95	94.5 Å²	94.5	51%	0.508	53%	0.528	S	S	.	.	H	α-helix	trans	-73.5	-17.5	173.6	-87.3	-76.1	0	0	0	113.7	F784 L785 S786 R792	F784-N788 PolarHBondContact O-ND2 3.47Å; L785-N788 PolarHBondContact O-N 3.16Å; S786-N788 VanDerWaalsContact C-N 3.28Å; S786-N788 PolarHBondContact O-N 3.18Å; N788-R792 WeakPolarHBondContact O-CB 3.41Å; N788-R792 WeakPolarHBondContact O-CG 3.23Å; N788-R792 PolarHBondContact O-N 2.91Å; N788-R792 PolarHBondContact O-NE 2.98Å; N788-R792 PolarHBondContact O-NH2 3.12Å
789	E	53.3	Low	45.1	Very low	91 Å²	91	95.2 Å²	95.2	43%	0.425	52%	0.517	S	S	.	.	H	α-helix	trans	-84	-47.9	168.7	-164	68.4	-113.5	0	0	110.5	L785 S786 A787 V791 R792 Q793	L785-E789 PolarHBondContact O-N 2.77Å; S786-E789 PolarHBondContact O-N 2.93Å; A787-E789 VanDerWaalsContact C-N 3.3Å; A787-E789 PolarHBondContact O-N 3.26Å; E789-V791 VanDerWaalsContact C-N 3.34Å; E789-V791 PolarHBondContact O-N 3.01Å; E789-R792 CarbonylContact O-C 3.34Å; E789-R792 PolarHBondContact O-N 2.92Å; E789-R792 VanDerWaalsContact O-N 3.08Å; E789-R792 IonicContact OE1-CZ 2.69Å; E789-R792 IonicContact OE1-NH1 3.21Å; E789-R792 PolarHBondContact OE1-NH1 3.47Å; E789-R792 IonicContact OE1-NH2 2.76Å; E789-R792 IonicContact OE2-CZ 2.63Å; E789-R792 VanDerWaalsContact OE2-CZ 3.24Å; E789-R792 IonicContact OE2-NH1 2.77Å; E789-R792 PolarHBondContact OE2-NH1 2.86Å; E789-R792 IonicContact OE2-NH2 2.75Å; E789-R792 PolarHBondContact OE2-NH2 2.88Å; E789-Q793 VanDerWaalsContact O-CB 3.3Å; E789-Q793 WeakPolarHBondContact O-CB 3.43Å; E789-Q793 PolarHBondContact O-N 3.31Å
790	E	49.6	Very low	46.5	Very low	130 Å²	130	97.4 Å²	97.4	61%	0.607	52%	0.519	S	S	*	.	H	α-helix	trans	-56.7	-45.2	174.7	-84.8	-174.4	125.8	0	0	111.9	S786 R792 Q793 E794	S786-E790 PolarHBondContact O-N 3.32Å; E790-R792 PolarHBondContact O-N 3.49Å; E790-Q793 CarbonylContact O-C 3.51Å; E790-Q793 PolarHBondContact O-N 3.07Å; E790-Q793 VanDerWaalsContact O-N 3.16Å; E790-E794 PolarHBondContact O-N 3.42Å
791	V	52.3	Low	47.5	Very low	90 Å²	90	98.2 Å²	98.2	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-37.4	175.5	171.1	0	0	0	0	111.7	A787 E789 Q793 M795	A787-V791 WeakPolarHBondContact O-CB 3.49Å; A787-V791 VanDerWaalsContact O-CG2 3.28Å; A787-V791 WeakPolarHBondContact O-CG2 3.46Å; A787-V791 PolarHBondContact O-N 3.18Å; E789-V791 VanDerWaalsContact C-N 3.34Å; E789-V791 PolarHBondContact O-N 3.01Å; V791-Q793 VanDerWaalsContact C-N 3.29Å; V791-Q793 PolarHBondContact O-N 3.02Å; V791-M795 WeakPolarHBondContact O-CB 3.31Å; V791-M795 PolarHBondContact O-N 3.45Å
792	R	55	Low	48.4	Very low	131 Å²	131	95 Å²	95	49%	0.494	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	-29.8	172.8	-86.3	-177.3	-68.1	115	2.6	112.5	N788 E789 E790 A796	N788-R792 WeakPolarHBondContact O-CB 3.41Å; N788-R792 WeakPolarHBondContact O-CG 3.23Å; N788-R792 PolarHBondContact O-N 2.91Å; N788-R792 PolarHBondContact O-NE 2.98Å; N788-R792 PolarHBondContact O-NH2 3.12Å; E789-R792 CarbonylContact O-C 3.34Å; E789-R792 PolarHBondContact O-N 2.92Å; E789-R792 VanDerWaalsContact O-N 3.08Å; E789-R792 IonicContact OE1-CZ 2.69Å; E789-R792 IonicContact OE1-NH1 3.21Å; E789-R792 PolarHBondContact OE1-NH1 3.47Å; E789-R792 IonicContact OE1-NH2 2.76Å; E789-R792 IonicContact OE2-CZ 2.63Å; E789-R792 VanDerWaalsContact OE2-CZ 3.24Å; E789-R792 IonicContact OE2-NH1 2.77Å; E789-R792 PolarHBondContact OE2-NH1 2.86Å; E789-R792 IonicContact OE2-NH2 2.75Å; E789-R792 PolarHBondContact OE2-NH2 2.88Å; E790-R792 PolarHBondContact O-N 3.49Å; R792-A796 VanDerWaalsContact O-CB 3.23Å; R792-A796 WeakPolarHBondContact O-CB 3.44Å; R792-A796 PolarHBondContact O-N 2.86Å
793	Q	62.9	Low	49.5	Very low	123 Å²	123	99.6 Å²	99.6	58%	0.575	51%	0.506	S	S	*	.	H	α-helix	trans	-85.8	-34.1	-177.9	-157	155.9	20.3	0	0	112	E789 E790 V791 T797	E789-Q793 VanDerWaalsContact O-CB 3.3Å; E789-Q793 WeakPolarHBondContact O-CB 3.43Å; E789-Q793 PolarHBondContact O-N 3.31Å; E790-Q793 CarbonylContact O-C 3.51Å; E790-Q793 PolarHBondContact O-N 3.07Å; E790-Q793 VanDerWaalsContact O-N 3.16Å; V791-Q793 VanDerWaalsContact C-N 3.29Å; V791-Q793 PolarHBondContact O-N 3.02Å; Q793-T797 VanDerWaalsContact O-CB 3.3Å; Q793-T797 WeakPolarHBondContact O-CB 3.5Å; Q793-T797 PolarHBondContact O-N 3.37Å; Q793-T797 PolarHBondContact O-OG1 2.99Å
794	E	52.4	Low	50.6	Low	113 Å²	113	98.2 Å²	98.2	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-46.4	161.3	-79	-162.4	141.3	0	0	110.4	E790 A796 T797 L798	E790-E794 PolarHBondContact O-N 3.42Å; E794-A796 PolarHBondContact O-N 3.02Å; E794-T797 CarbonylContact O-C 3.34Å; E794-T797 PolarHBondContact O-N 3.24Å; E794-L798 WeakPolarHBondContact O-CB 3.3Å; E794-L798 WeakPolarHBondContact O-CG 3.45Å; E794-L798 PolarHBondContact O-N 2.98Å
795	M	47.8	Very low	51.6	Low	79 Å²	79	97.3 Å²	97.3	39%	0.389	49%	0.492	S	S	.	.	H	α-helix	trans	-61	-43	176.9	-171	72.9	167.5	0	0	111.9	V791 L798 M799 L813	V791-M795 WeakPolarHBondContact O-CB 3.31Å; V791-M795 PolarHBondContact O-N 3.45Å; M795-L798 PolarHBondContact O-N 3.41Å; M795-M799 HydrophobicContact CG-SD 4.43Å; M795-M799 WeakPolarHBondContact O-CB 3.35Å; M795-M799 VanDerWaalsContact O-CG 3.26Å; M795-M799 WeakPolarHBondContact O-CG 3.26Å; M795-M799 PolarHBondContact O-N 3.26Å; M795-L813 HydrophobicContact CE-CD2 4.22Å
796	A	61.9	Low	52.2	Low	51 Å²	51	94.8 Å²	94.8	42%	0.421	48%	0.483	S	S	.	.	H	α-helix	trans	-65.5	-39.3	174.8	0	0	0	0	0	111.9	R792 E794 M799 E800	R792-A796 VanDerWaalsContact O-CB 3.23Å; R792-A796 WeakPolarHBondContact O-CB 3.44Å; R792-A796 PolarHBondContact O-N 2.86Å; E794-A796 PolarHBondContact O-N 3.02Å; A796-M799 PolarHBondContact O-N 2.88Å; A796-E800 WeakPolarHBondContact O-CB 3.5Å; A796-E800 PolarHBondContact O-N 2.9Å
797	T	58.9	Low	52.6	Low	78 Å²	78	97.7 Å²	97.7	48%	0.479	49%	0.489	S	S	.	.	H	α-helix	trans	-67.6	-38.8	175.6	-54.6	0	0	0	0	111.2	Q793 E794 E800 L801	Q793-T797 VanDerWaalsContact O-CB 3.3Å; Q793-T797 WeakPolarHBondContact O-CB 3.5Å; Q793-T797 PolarHBondContact O-N 3.37Å; Q793-T797 PolarHBondContact O-OG1 2.99Å; E794-T797 CarbonylContact O-C 3.34Å; E794-T797 PolarHBondContact O-N 3.24Å; T797-E800 PolarHBondContact O-N 3.38Å; T797-L801 HydrophobicContact CG2-CD1 4Å; T797-L801 HydrophobicContact CG2-CG 4.45Å; T797-L801 WeakPolarHBondContact O-CB 3.33Å; T797-L801 VanDerWaalsContact O-CG 3.22Å; T797-L801 WeakPolarHBondContact O-CG 3.27Å; T797-L801 PolarHBondContact O-N 3.31Å
798	L	47.8	Very low	52.8	Low	86 Å²	86	102.1 Å²	102.1	45%	0.45	50%	0.497	S	S	.	.	H	α-helix	trans	-66.1	-38.3	172.6	-77.7	165	0	0	0	112	E794 M795 N802	E794-L798 WeakPolarHBondContact O-CB 3.3Å; E794-L798 WeakPolarHBondContact O-CG 3.45Å; E794-L798 PolarHBondContact O-N 2.98Å; M795-L798 PolarHBondContact O-N 3.41Å; L798-N802 VanDerWaalsContact O-CB 3.24Å; L798-N802 WeakPolarHBondContact O-CB 3.3Å; L798-N802 PolarHBondContact O-N 3.45Å; L798-N802 PolarHBondContact O-ND2 3.03Å
799	M	48.8	Very low	52.7	Low	107 Å²	107	99.1 Å²	99.1	53%	0.527	48%	0.481	S	S	.	.	H	α-helix	trans	-66.4	-37.4	172.7	-75.6	174.9	63.6	0	0	112	M795 A796 K803	M795-M799 HydrophobicContact CG-SD 4.43Å; M795-M799 WeakPolarHBondContact O-CB 3.35Å; M795-M799 VanDerWaalsContact O-CG 3.26Å; M795-M799 WeakPolarHBondContact O-CG 3.26Å; M795-M799 PolarHBondContact O-N 3.26Å; A796-M799 PolarHBondContact O-N 2.88Å; M799-K803 WeakPolarHBondContact O-CG 3.33Å; M799-K803 PolarHBondContact O-N 3.05Å
800	E	62.5	Low	52.9	Low	117 Å²	117	98.4 Å²	98.4	55%	0.547	48%	0.482	S	S	.	.	H	α-helix	trans	-69.2	-45.9	175.9	-167.5	62	-141	0	0	111.5	A796 T797 K803	A796-E800 WeakPolarHBondContact O-CB 3.5Å; A796-E800 PolarHBondContact O-N 2.9Å; T797-E800 PolarHBondContact O-N 3.38Å; E800-K803 VanDerWaalsContact CD-CE 3.5Å; E800-K803 WeakPolarHBondContact O-CG 3.43Å; E800-K803 WeakPolarHBondContact OE1-CE 3.45Å; E800-K803 IonicContact OE1-NZ 3.09Å; E800-K803 PolarHBondContact OE1-NZ 3.47Å; E800-K803 WeakPolarHBondContact OE2-CE 3.22Å; E800-K803 IonicContact OE2-NZ 2.82Å; E800-K803 PolarHBondContact OE2-NZ 3.18Å
801	L	57.1	Low	53.2	Low	94 Å²	94	97.8 Å²	97.8	49%	0.492	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-40.4	175.9	-74.2	166.6	0	0	0	112.5	T797 K803	T797-L801 HydrophobicContact CG2-CD1 4Å; T797-L801 HydrophobicContact CG2-CG 4.45Å; T797-L801 WeakPolarHBondContact O-CB 3.33Å; T797-L801 VanDerWaalsContact O-CG 3.22Å; T797-L801 WeakPolarHBondContact O-CG 3.27Å; T797-L801 PolarHBondContact O-N 3.31Å; L801-K803 PolarHBondContact O-N 3.09Å
802	N	52	Low	53	Low	44 Å²	44	97 Å²	97	24%	0.235	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-91.4	15.7	-176.8	-69.1	-81.7	0	0	0	114.4	L798 Q804 R805 L809	L798-N802 VanDerWaalsContact O-CB 3.24Å; L798-N802 WeakPolarHBondContact O-CB 3.3Å; L798-N802 PolarHBondContact O-N 3.45Å; L798-N802 PolarHBondContact O-ND2 3.03Å; N802-Q804 PolarHBondContact O-N 3.43Å; N802-R805 PolarHBondContact O-N 2.95Å; N802-L809 HydrophobicContact CB-CD1 3.67Å; N802-L809 HydrophobicContact CB-CG 4.11Å
803	K	54.5	Low	52.8	Low	141 Å²	141	94 Å²	94	61%	0.613	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-53.5	-18.4	171.9	-80.3	-176.7	177.9	169.6	0	114.2	M799 E800 L801	M799-K803 WeakPolarHBondContact O-CG 3.33Å; M799-K803 PolarHBondContact O-N 3.05Å; E800-K803 VanDerWaalsContact CD-CE 3.5Å; E800-K803 WeakPolarHBondContact O-CG 3.43Å; E800-K803 WeakPolarHBondContact OE1-CE 3.45Å; E800-K803 IonicContact OE1-NZ 3.09Å; E800-K803 PolarHBondContact OE1-NZ 3.47Å; E800-K803 WeakPolarHBondContact OE2-CE 3.22Å; E800-K803 IonicContact OE2-NZ 2.82Å; E800-K803 PolarHBondContact OE2-NZ 3.18Å; L801-K803 PolarHBondContact O-N 3.09Å
804	Q	57.7	Low	52.7	Low	106 Å²	106	96.1 Å²	96.1	50%	0.495	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-100.9	-0.9	-179.9	-60.3	-173.7	-10.1	0	0	114.7	R63 N802	R63-Q804 VanDerWaalsContact CZ-OE1 3.28Å; N802-Q804 PolarHBondContact O-N 3.43Å
805	R	50.6	Low	52.7	Low	127 Å²	127	96.1 Å²	96.1	48%	0.479	47%	0.468	S	S	.	.			trans	-142.4	68.9	177.8	-73	-167.8	167.8	168.9	-0.1	112.4	S46 N802 E807 Y808 L809	S46-R805 PolarHBondContact O-NH2 3.21Å; N802-R805 PolarHBondContact O-N 2.95Å; R805-E807 VanDerWaalsContact C-N 3.26Å; R805-E807 PolarHBondContact O-N 3Å; R805-Y808 PolarHBondContact O-N 3.31Å; R805-L809 PolarHBondContact O-N 3.24Å
806	P	45.4	Very low	52.3	Low	71 Å²	71	97.2 Å²	97.2	46%	0.461	47%	0.474	S	S	.	.	H	α-helix	trans	-63.2	-28.8	-179.2	26.2	-33.5	0	0	0	113.5	L809 V810	P806-L809 PolarHBondContact O-N 2.86Å; P806-V810 WeakPolarHBondContact O-CG2 3.38Å; P806-V810 PolarHBondContact O-N 2.94Å
807	E	49.3	Very low	51.6	Low	131 Å²	131	102.5 Å²	102.5	61%	0.612	49%	0.491	S	S	*	.	H	α-helix	trans	-61	-46.1	177	-63.4	67.6	-148	0	0	111	R805 L809 V810 Q811	R805-E807 VanDerWaalsContact C-N 3.26Å; R805-E807 PolarHBondContact O-N 3Å; E807-L809 VanDerWaalsContact C-N 3.34Å; E807-L809 PolarHBondContact O-N 3.23Å; E807-V810 PolarHBondContact O-N 2.91Å; E807-Q811 WeakPolarHBondContact O-CB 3.46Å; E807-Q811 PolarHBondContact O-N 3.5Å
808	Y	44.8	Very low	50.9	Low	140 Å²	140	103.1 Å²	103.1	55%	0.549	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-41.1	-179.8	-166.3	-101.6	0	0	0	111.2	R805 Q811 L812	R805-Y808 PolarHBondContact O-N 3.31Å; Y808-Q811 PolarHBondContact O-N 2.8Å; Y808-L812 WeakPolarHBondContact O-CB 3.3Å; Y808-L812 PolarHBondContact O-N 3.39Å
809	L	42	Very low	50.2	Low	32 Å²	32	103.6 Å²	103.6	17%	0.168	50%	0.501	C	S	.	.	H	α-helix	trans	-63	-42.5	173.5	-110.6	170.9	0	0	0	112.2	N802 R805 P806 E807 Q811 L813	N802-L809 HydrophobicContact CB-CD1 3.67Å; N802-L809 HydrophobicContact CB-CG 4.11Å; R805-L809 PolarHBondContact O-N 3.24Å; P806-L809 PolarHBondContact O-N 2.86Å; E807-L809 VanDerWaalsContact C-N 3.34Å; E807-L809 PolarHBondContact O-N 3.23Å; L809-Q811 VanDerWaalsContact C-N 3.33Å; L809-L813 HydrophobicContact CD2-CD1 4.47Å; L809-L813 VanDerWaalsContact O-CB 3.27Å; L809-L813 WeakPolarHBondContact O-CB 3.47Å; L809-L813 VanDerWaalsContact O-CG 3.25Å; L809-L813 WeakPolarHBondContact O-CG 3.45Å; L809-L813 PolarHBondContact O-N 3.16Å
810	V	58.2	Low	49.7	Very low	76 Å²	76	100.7 Å²	100.7	46%	0.461	49%	0.491	S	S	.	.	H	α-helix	trans	-65.7	-35.7	175.3	167.8	0	0	0	0	111.7	P806 E807 R814	P806-V810 WeakPolarHBondContact O-CG2 3.38Å; P806-V810 PolarHBondContact O-N 2.94Å; E807-V810 PolarHBondContact O-N 2.91Å; V810-R814 VanDerWaalsContact O-CB 3.27Å; V810-R814 WeakPolarHBondContact O-CB 3.23Å; V810-R814 PolarHBondContact O-N 3.2Å
811	Q	55.2	Low	48.5	Very low	117 Å²	117	100.9 Å²	100.9	55%	0.547	49%	0.493	S	S	.	.	H	α-helix	trans	-73.5	-41.4	179.4	-163.2	162.3	3.3	0	0	111.5	E807 Y808 L809 R814 Q815	E807-Q811 WeakPolarHBondContact O-CB 3.46Å; E807-Q811 PolarHBondContact O-N 3.5Å; Y808-Q811 PolarHBondContact O-N 2.8Å; L809-Q811 VanDerWaalsContact C-N 3.33Å; Q811-R814 PolarHBondContact O-N 2.99Å; Q811-Q815 WeakPolarHBondContact O-CG 3.29Å; Q811-Q815 PolarHBondContact O-N 3.16Å
812	L	47.5	Very low	47.6	Very low	73 Å²	73	103.4 Å²	103.4	38%	0.382	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-44.2	172.6	-161.2	83.3	0	0	0	111.7	Y808 R814 Q815 L816	Y808-L812 WeakPolarHBondContact O-CB 3.3Å; Y808-L812 PolarHBondContact O-N 3.39Å; L812-R814 VanDerWaalsContact C-N 3.31Å; L812-R814 PolarHBondContact O-N 3.02Å; L812-Q815 PolarHBondContact O-N 2.92Å; L812-L816 HydrophobicContact CG-CD1 4.36Å; L812-L816 WeakPolarHBondContact O-CB 3.43Å; L812-L816 WeakPolarHBondContact O-CG 3.33Å; L812-L816 PolarHBondContact O-N 3.47Å
813	L	51.6	Low	47.2	Very low	67 Å²	67	107 Å²	107	35%	0.351	52%	0.518	S	S	.	.	H	α-helix	trans	-62.2	-37.3	174	-77.9	167.7	0	0	0	112	M795 L809 L816 Q817	M795-L813 HydrophobicContact CE-CD2 4.22Å; L809-L813 HydrophobicContact CD2-CD1 4.47Å; L809-L813 VanDerWaalsContact O-CB 3.27Å; L809-L813 WeakPolarHBondContact O-CB 3.47Å; L809-L813 VanDerWaalsContact O-CG 3.25Å; L809-L813 WeakPolarHBondContact O-CG 3.45Å; L809-L813 PolarHBondContact O-N 3.16Å; L813-L816 PolarHBondContact O-N 3.39Å; L813-Q817 VanDerWaalsContact O-CB 3.31Å; L813-Q817 WeakPolarHBondContact O-CB 3.24Å; L813-Q817 VanDerWaalsContact O-CG 3.27Å; L813-Q817 WeakPolarHBondContact O-CG 3.47Å; L813-Q817 PolarHBondContact O-N 3.01Å
814	R	61.2	Low	46.4	Very low	169 Å²	169	106.3 Å²	106.3	64%	0.638	52%	0.52	S	S	*	.	H	α-helix	trans	-68.2	-37.5	175.1	-169	-178.1	-58.8	163.7	5.5	112.1	V810 Q811 L812 S818	V810-R814 VanDerWaalsContact O-CB 3.27Å; V810-R814 WeakPolarHBondContact O-CB 3.23Å; V810-R814 PolarHBondContact O-N 3.2Å; Q811-R814 PolarHBondContact O-N 2.99Å; L812-R814 VanDerWaalsContact C-N 3.31Å; L812-R814 PolarHBondContact O-N 3.02Å; R814-S818 WeakPolarHBondContact O-CB 3.31Å; R814-S818 PolarHBondContact O-N 2.95Å; R814-S818 PolarHBondContact O-OG 3.22Å
815	Q	51	Low	45.5	Very low	113 Å²	113	107.4 Å²	107.4	53%	0.528	53%	0.525	S	S	.	.	H	α-helix	trans	-64.6	-47.2	172.3	-75.7	173.6	-26.1	0	0	111.3	Q811 L812 Q817 S818 L819	Q811-Q815 WeakPolarHBondContact O-CG 3.29Å; Q811-Q815 PolarHBondContact O-N 3.16Å; L812-Q815 PolarHBondContact O-N 2.92Å; Q815-Q817 VanDerWaalsContact C-N 3.33Å; Q815-Q817 PolarHBondContact O-N 3.49Å; Q815-S818 WeakPolarHBondContact CA-OG 3.46Å; Q815-S818 PolarHBondContact O-N 2.89Å; Q815-S818 PolarHBondContact O-OG 3.21Å; Q815-L819 PolarHBondContact O-N 3.03Å
816	L	39.4	Very low	45	Very low	101 Å²	101	106.9 Å²	106.9	53%	0.529	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-35.3	176.2	-70.8	166.4	0	0	0	112.7	L812 L813 S818 L819	L812-L816 HydrophobicContact CG-CD1 4.36Å; L812-L816 WeakPolarHBondContact O-CB 3.43Å; L812-L816 WeakPolarHBondContact O-CG 3.33Å; L812-L816 PolarHBondContact O-N 3.47Å; L813-L816 PolarHBondContact O-N 3.39Å; L816-S818 VanDerWaalsContact C-N 3.32Å; L816-L819 HydrophobicContact CD2-CD1 4.45Å; L816-L819 PolarHBondContact O-N 3.43Å
817	Q	48.1	Very low	44.6	Very low	163 Å²	163	107.8 Å²	107.8	76%	0.762	55%	0.549	S	S	*	.	H	α-helix	trans	-74.9	-17.8	172.3	-74.9	177.7	-15	0	0	113.8	L813 Q815	L813-Q817 VanDerWaalsContact O-CB 3.31Å; L813-Q817 WeakPolarHBondContact O-CB 3.24Å; L813-Q817 VanDerWaalsContact O-CG 3.27Å; L813-Q817 WeakPolarHBondContact O-CG 3.47Å; L813-Q817 PolarHBondContact O-N 3.01Å; Q815-Q817 VanDerWaalsContact C-N 3.33Å; Q815-Q817 PolarHBondContact O-N 3.49Å
818	S	43.5	Very low	44	Very low	91 Å²	91	104.4 Å²	104.4	64%	0.636	55%	0.55	S	S	*	*	H	α-helix	trans	-85.4	-13.2	173.6	72.2	0	0	0	0	113.6	R814 Q815 L816 S820	R814-S818 WeakPolarHBondContact O-CB 3.31Å; R814-S818 PolarHBondContact O-N 2.95Å; R814-S818 PolarHBondContact O-OG 3.22Å; Q815-S818 WeakPolarHBondContact CA-OG 3.46Å; Q815-S818 PolarHBondContact O-N 2.89Å; Q815-S818 PolarHBondContact O-OG 3.21Å; L816-S818 VanDerWaalsContact C-N 3.32Å; S818-S820 PolarHBondContact O-N 2.99Å
819	L	33.7	Very low	43.6	Very low	96 Å²	96	104.2 Å²	104.2	50%	0.503	56%	0.559	S	S	.	*	S	Bend	trans	-77	103.6	165.9	-68.3	170	0	0	0	108.4	Q815 L816 M821	Q815-L819 PolarHBondContact O-N 3.03Å; L816-L819 HydrophobicContact CD2-CD1 4.45Å; L816-L819 PolarHBondContact O-N 3.43Å; L819-M821 PolarHBondContact O-N 3.15Å
820	S	37.8	Very low	43.4	Very low	45 Å²	45	110.3 Å²	110.3	32%	0.315	59%	0.592	S	S	.	*			trans	-58.6	133.7	-179.8	51.6	0	0	0	0	111.9	S818 E822 Q823	S818-S820 PolarHBondContact O-N 2.99Å; S820-E822 PolarHBondContact O-N 3.45Å; S820-Q823 PolarHBondContact O-N 2.82Å
821	M	37.2	Very low	42.2	Very low	121 Å²	121	112.8 Å²	112.8	60%	0.596	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.9	-41.3	174.3	-113.3	-77.7	-66.1	0	0	113.4	L819 Q823 L824 E825	L819-M821 PolarHBondContact O-N 3.15Å; M821-Q823 PolarHBondContact O-N 3.37Å; M821-Q823 VanDerWaalsContact O-N 3.09Å; M821-L824 PolarHBondContact O-N 3.37Å; M821-E825 HydrophobicContact CE-CG 4.03Å; M821-E825 WeakPolarHBondContact CE-OE1 3.38Å; M821-E825 WeakPolarHBondContact CE-OE2 3.24Å; M821-E825 PolarHBondContact O-N 2.84Å
822	E	38.8	Very low	41.5	Very low	148 Å²	148	116.2 Å²	116.2	69%	0.692	63%	0.625	S	S	*	*	H	α-helix	trans	-56.4	-25.4	179.2	-61.5	173.9	136.9	0	0	113.6	S820 T826	S820-E822 PolarHBondContact O-N 3.45Å; E822-T826 WeakPolarHBondContact O-CG2 3.43Å; E822-T826 PolarHBondContact O-OG1 2.8Å
823	Q	43.7	Very low	41.1	Very low	119 Å²	119	120 Å²	120	56%	0.556	65%	0.646	S	S	*	*	H	α-helix	trans	-86.8	-12.9	177.4	-68.6	-177.8	8.7	0	0	114	S820 M821	S820-Q823 PolarHBondContact O-N 2.82Å; M821-Q823 PolarHBondContact O-N 3.37Å; M821-Q823 VanDerWaalsContact O-N 3.09Å
824	L	36.9	Very low	40.2	Very low	126 Å²	126	120.3 Å²	120.3	66%	0.66	67%	0.665	S	S	*	*	H	α-helix	trans	-86.6	-35.8	169.9	-95.3	71	0	0	0	111.6	M821	M821-L824 PolarHBondContact O-N 3.37Å
825	E	39.2	Very low	39.1	Very low	129 Å²	129	120.3 Å²	120.3	60%	0.603	67%	0.674	S	S	*	*	H	α-helix	trans	-76.4	-32.9	-175.2	-64.2	-170.8	130.2	0	0	113.1	M821 A827 G828	M821-E825 HydrophobicContact CE-CG 4.03Å; M821-E825 WeakPolarHBondContact CE-OE1 3.38Å; M821-E825 WeakPolarHBondContact CE-OE2 3.24Å; M821-E825 PolarHBondContact O-N 2.84Å; E825-A827 PolarHBondContact O-N 2.86Å; E825-G828 PolarHBondContact O-N 3.38Å
826	T	41.6	Very low	38.5	Very low	117 Å²	117	123.4 Å²	123.4	72%	0.718	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-3.6	-179.4	55.1	0	0	0	0	115	E822	E822-T826 WeakPolarHBondContact O-CG2 3.43Å; E822-T826 PolarHBondContact O-OG1 2.8Å
827	A	36.9	Very low	38.3	Very low	89 Å²	89	123.4 Å²	123.4	74%	0.736	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-6.3	176.5	0	0	0	0	0	113.6	E825	E825-A827 PolarHBondContact O-N 2.86Å
828	G	36.3	Very low	37.3	Very low	61 Å²	61	123.8 Å²	123.8	63%	0.629	70%	0.696	S	S	*	*	S	Bend	trans	-91.7	-17.5	-169.2	0	0	0	0	0	116.7	E825	E825-G828 PolarHBondContact O-N 3.38Å
829	N	36.3	Very low	36.7	Very low	136 Å²	136	128.1 Å²	128.1	73%	0.727	71%	0.708	S	S	*	*			trans	-138.1	117	-178	-67.9	-63.8	0	0	0	110.7
830	D	36.7	Very low	36.5	Very low	160 Å²	160	134.8 Å²	134.8	86%	0.856	73%	0.727	S	S	*	*				173.4	104.6	127.9	-91	-13.2	0	0	0	110
831	S	34.1	Very low	36.4	Very low	128 Å²	128	138.2 Å²	138.2	90%	0.895	75%	0.748	S	S	*	*			trans	-158.3	69.2	172.5	-80.9	0	0	0	0	110.8
832	K	40.8	Very low	36.3	Very low	189 Å²	189	138.4 Å²	138.4	82%	0.822	76%	0.756	S	S	*	*			trans	-156.7	159.1	165	-112.4	163.5	-171.1	173.1	0	111.5
833	D	37.9	Very low	36.2	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	76%	0.763	S	S	*	*			trans	58.5	81.5	161.9	-52	-22.2	0	0	0	116.8
834	G	33.2	Very low	35.7	Very low	73 Å²	73	140.1 Å²	140.1	75%	0.753	78%	0.778	S	S	*	*			trans	-79.9	-156.8	162.1	0	0	0	0	0	113.5
835	M	39.2	Very low	35.5	Very low	170 Å²	170	137.6 Å²	137.6	84%	0.837	78%	0.783	S	S	*	*			trans	83.7	105.4	179.5	-67.7	-82.2	172.9	0	0	118
836	K	36.4	Very low	35.3	Very low	178 Å²	178	137 Å²	137	77%	0.774	79%	0.792	S	S	*	*			trans	90.9	124.7	137.8	-63.8	170.9	-179.3	176.7	0	121.3
837	S	35.2	Very low	35.1	Very low	100 Å²	100	141.8 Å²	141.8	70%	0.699	80%	0.797	S	S	*	*			trans	69	101	133.4	-62.6	0	0	0	0	121.1
838	E	28.1	Very low	35.1	Very low	172 Å²	172	144 Å²	144	80%	0.804	80%	0.796	S	S	*	*				53	101.4	104.8	-171.1	-179.9	-160.5	0	0	118.7
839	M	30.3	Very low	35.1	Very low	181 Å²	181	147 Å²	147	89%	0.892	80%	0.799	S	S	*	*				-175.6	151.1	119.8	-99.5	-173.4	-171.8	0	0	113
840	R	31.2	Very low	35	Very low	236 Å²	236	148.4 Å²	148.4	89%	0.891	80%	0.804	S	S	*	*			trans	-118.5	148.4	160.9	-79.2	-174.5	173.5	-172.8	-0.4	106.9
841	P	35.2	Very low	34.9	Very low	117 Å²	117	144.2 Å²	144.2	76%	0.76	79%	0.792	S	S	*	*				-153.2	147.2	85.1	43	-23.6	0	0	0	115.5
842	V	34.8	Very low	35.1	Very low	126 Å²	126	147.4 Å²	147.4	76%	0.764	79%	0.79	S	S	*	*				87	138.5	88.5	178.4	0	0	0	0	117.1
843	E	35.5	Very low	34.8	Very low	177 Å²	177	147.4 Å²	147.4	83%	0.827	79%	0.79	S	S	*	*			trans	109	146.7	147.2	-108.8	167.5	-118.4	0	0	124.9
844	S	33.7	Very low	34.7	Very low	125 Å²	125	144.5 Å²	144.5	87%	0.874	78%	0.781	S	S	*	*			trans	71.5	143	174	74.1	0	0	0	0	119.4
845	G	32.7	Very low	34.8	Very low	74 Å²	74	145.5 Å²	145.5	76%	0.763	78%	0.782	S	S	*	*			cis	170.2	170.6	-10.4	0	0	0	0	0	114.9
846	S	35.4	Very low	35	Very low	115 Å²	115	143 Å²	143	80%	0.804	78%	0.779	S	S	*	*			trans	82.5	111.6	173.2	-145.4	0	0	0	0	117.3
847	R	36.7	Very low	34.9	Very low	219 Å²	219	142.1 Å²	142.1	83%	0.826	78%	0.782	S	S	*	*				70.6	143.3	84.1	-70.4	-175.3	177.6	172.8	-0.5	115.3
848	D	38.4	Very low	34.9	Very low	134 Å²	134	144.6 Å²	144.6	72%	0.717	79%	0.786	S	S	*	*			cis	-146.1	-162.4	30.6	-126.7	-49.7	0	0	0	116.5
849	N	34.9	Very low	35	Very low	126 Å²	126	144.5 Å²	144.5	67%	0.674	79%	0.786	S	S	*	*			trans	-123.2	179.1	-152.6	-67	-94.9	0	0	0	118.3
850	I	35.9	Very low	35.4	Very low	164 Å²	164	140.3 Å²	140.3	84%	0.841	77%	0.772	S	S	*	*			trans	115.8	140.9	147.1	-62	160.5	0	0	0	117.5
851	A	34.6	Very low	35.5	Very low	72 Å²	72	136.3 Å²	136.3	60%	0.595	77%	0.767	S	S	*	*			cis	-177.5	163.5	-37	0	0	0	0	0	113.1
852	K	37.7	Very low	35.4	Very low	196 Å²	196	137.2 Å²	137.2	85%	0.852	76%	0.764	S	S	*	*			trans	78.9	148	162.7	-56.5	153.6	-174.5	170.1	0	116.1
853	K	35.2	Very low	35.4	Very low	189 Å²	189	137.4 Å²	137.4	82%	0.822	77%	0.766	S	S	*	*			cis	-172.1	-176.4	-1.2	-115.8	-164.4	153.8	-156.8	0	107.2
854	S	34.4	Very low	35.4	Very low	90 Å²	90	133.2 Å²	133.2	63%	0.629	76%	0.761	S	S	*	*			cis	176.2	158.7	-35.6	59.5	0	0	0	0	106.9
855	A	36.5	Very low	35.4	Very low	94 Å²	94	132 Å²	132	78%	0.777	75%	0.753	S	S	*	*			cis	-162.8	-179.9	21.2	0	0	0	0	0	111.3
856	P	42.7	Very low	35.5	Very low	118 Å²	118	132.5 Å²	132.5	77%	0.766	75%	0.745	S	S	*	*			trans	-128	-160.4	-163.4	45.9	-32.7	0	0	0	116.5
857	L	33.5	Very low	35.6	Very low	160 Å²	160	135 Å²	135	84%	0.838	74%	0.744	S	S	*	*			trans	159.2	163.7	149.7	-81.8	157.5	0	0	0	108.7
858	L	35.3	Very low	35.5	Very low	151 Å²	151	132 Å²	132	79%	0.791	74%	0.739	S	S	*	*			cis	-146.9	-151.8	4	-136.3	168.4	0	0	0	111.6
859	Q	30.1	Very low	35.3	Very low	171 Å²	171	130.7 Å²	130.7	80%	0.799	73%	0.732	S	S	*	*			trans	-170.6	-166	-165.5	-126.2	-172.7	12	0	0	110.7
860	P	38.6	Very low	35.3	Very low	92 Å²	92	135.3 Å²	135.3	60%	0.597	74%	0.74	S	S	*	*			cis	-143.3	-172.4	-16.6	36.6	-14.2	0	0	0	117.9
861	L	33.4	Very low	35	Very low	153 Å²	153	131.5 Å²	131.5	80%	0.801	73%	0.733	S	S	*	*			trans	76.5	166.3	144.3	-113.8	62.7	0	0	0	119.8
862	I	33.7	Very low	34.8	Very low	135 Å²	135	134.2 Å²	134.2	69%	0.692	74%	0.742	S	S	*	*			cis	-150.5	159.8	8.3	-12.8	156.6	0	0	0	113.2
863	T	35.3	Very low	34.7	Very low	131 Å²	131	131.1 Å²	131.1	80%	0.804	74%	0.739	S	S	*	*			trans	62.8	168.1	152.9	45.6	0	0	0	0	120.8
864	A	34.6	Very low	35	Very low	88 Å²	88	127.4 Å²	127.4	73%	0.727	73%	0.734	S	S	*	*			cis	177.6	165.5	-28.8	0	0	0	0	0	109.1
865	S	33.2	Very low	35.1	Very low	100 Å²	100	129.3 Å²	129.3	70%	0.699	75%	0.745	S	S	*	*			cis	-170.2	-178.1	-22.5	58.8	0	0	0	0	110.8
866	S	36.5	Very low	34.8	Very low	85 Å²	85	132.8 Å²	132.8	59%	0.594	75%	0.745	S	S	*	*			trans	77.1	162.9	153	-51.3	0	0	0	0	120
867	E	36.5	Very low	34.4	Very low	166 Å²	166	136.5 Å²	136.5	78%	0.776	75%	0.749	S	S	*	*			cis	179.4	158.5	-32.4	-94.9	140.6	-120.8	0	0	108.4
868	E	34.6	Very low	34.2	Very low	157 Å²	157	136.9 Å²	136.9	73%	0.734	75%	0.751	S	S	*	*			cis	-162.8	156.1	-20.3	-124.1	-149.5	141.5	0	0	113.3
869	L	34.9	Very low	34.2	Very low	106 Å²	106	135.7 Å²	135.7	56%	0.555	75%	0.752	S	S	*	*			trans	63.5	125.6	148.5	-59.4	179.2	0	0	0	129.3
870	R	33.6	Very low	34.2	Very low	223 Å²	223	133.4 Å²	133.4	84%	0.842	75%	0.75	S	S	*	*			trans	67.3	157.9	132.3	-66.2	173.8	-172.4	178.8	7.4	122.2
871	A	29.9	Very low	33.9	Very low	84 Å²	84	137.6 Å²	137.6	69%	0.694	76%	0.762	S	S	*	*			cis	-176.3	171.5	-28.8	0	0	0	0	0	112.2
872	V	31.9	Very low	33.6	Very low	130 Å²	130	136.8 Å²	136.8	79%	0.788	76%	0.758	S	S	*	*			trans	90	98.2	158.7	-167.5	0	0	0	0	121.5
873	T	35	Very low	33.5	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	76%	0.762	S	S	*	*			trans	26.7	160.1	136.2	32.3	0	0	0	0	127.2
874	P	40.4	Very low	33.2	Very low	110 Å²	110	141.3 Å²	141.3	71%	0.714	76%	0.76	S	S	*	*			trans	-113	-173	-160	45.4	-38.6	0	0	0	117.2
875	P	36.3	Very low	32.8	Very low	131 Å²	131	141.5 Å²	141.5	85%	0.851	76%	0.756	S	S	*	*				-147.6	-170.7	123.2	40.5	-24	0	0	0	117
876	Q	31.5	Very low	32.6	Very low	167 Å²	167	145.1 Å²	145.1	78%	0.78	77%	0.767	S	S	*	*			trans	-87.3	153.7	-169.6	-52.5	165.9	-15.7	0	0	116.8
877	K	32.9	Very low	32	Very low	195 Å²	195	148 Å²	148	85%	0.848	78%	0.775	S	S	*	*				164.9	165.2	115.5	-90.3	172.9	-176.7	178.8	0	115.4
878	L	30.7	Very low	31.7	Very low	169 Å²	169	148.1 Å²	148.1	89%	0.885	78%	0.781	S	S	*	*			trans	-79.5	165.1	-174.8	-60.1	163.1	0	0	0	113.7
879	P	34.2	Very low	31.3	Very low	125 Å²	125	146.1 Å²	146.1	81%	0.812	78%	0.784	S	S	*	*				-148.9	168.4	96.2	40.3	-23.6	0	0	0	118.6
880	T	30.3	Very low	31.1	Very low	123 Å²	123	146.9 Å²	146.9	76%	0.755	80%	0.795	S	S	*	*			trans	-41.1	150.6	169.1	-19	0	0	0	0	119.3
881	E	33.4	Very low	30.8	Very low	180 Å²	180	147.4 Å²	147.4	84%	0.841	80%	0.797	S	S	*	*				-178.5	177.6	111.5	-100.7	-179.9	-159.8	0	0	115.2
882	N	26.4	Very low	30.6	Very low	137 Å²	137	154.9 Å²	154.9	73%	0.733	81%	0.807	S	S	*	*			trans	-103.9	169.2	-162.7	-70.8	-71.1	0	0	0	114.9
883	Y	30.8	Very low	30.4	Very low	197 Å²	197	157.2 Å²	157.2	77%	0.773	81%	0.81	S	S	*	*				174.3	128.7	111.7	-96.4	-72.6	0	0	0	114
884	Q	29.5	Very low	29.9	Very low	164 Å²	164	156.2 Å²	156.2	77%	0.766	81%	0.808	S	S	*	*			trans	24	147.4	135.5	-68.1	-179	11.8	0	0	121.3
885	S	27.3	Very low	29.3	Very low	92 Å²	92	158.6 Å²	158.6	64%	0.643	81%	0.814	S	S	*	*			cis	-171.5	152	5.2	-106.3	0	0	0	0	111.2
886	L	28.6	Very low	28.7	Very low	175 Å²	175	159.1 Å²	159.1	92%	0.916	81%	0.81	S	S	*	*				-179	124.9	123	-100	168.7	0	0	0	111.5
887	N	24.4	Very low	28.5	Very low	145 Å²	145	155.4 Å²	155.4	78%	0.775	80%	0.798	S	S	*	*			trans	-103	138.6	174.3	-91.7	-72.1	0	0	0	110.6
888	L	28.6	Very low	28.3	Very low	169 Å²	169	154.2 Å²	154.2	89%	0.885	80%	0.796	S	S	*	*			trans	-138.1	114.4	147.6	-79.4	-177.7	0	0	0	110.4
889	S	27.5	Very low	28.1	Very low	115 Å²	115	152.7 Å²	152.7	80%	0.804	79%	0.788	S	S	*	*			trans	-158.3	120.2	166.1	-82.7	0	0	0	0	109.6
890	P	30	Very low	27.8	Very low	122 Å²	122	155 Å²	155	79%	0.792	79%	0.786	S	S	*	*			trans	-128.3	156.9	136	38	-28.8	0	0	0	109.8
891	R	27.2	Very low	27.9	Very low	234 Å²	234	152.9 Å²	152.9	88%	0.883	77%	0.77	S	S	*	*			cis	-154	143.6	17.9	-153.7	172.9	-173.3	161.4	-0.3	109.6	Q893	R891-Q893 PolarHBondContact O-N 2.86Å
892	R	26.4	Very low	27.9	Very low	241 Å²	241	147.9 Å²	147.9	91%	0.909	75%	0.753	S	S	*	*			trans	-68.7	130.1	165.3	-71.5	-178.6	175.8	179.7	-2.5	109.8
893	Q	28	Very low	28.4	Very low	180 Å²	180	147.4 Å²	147.4	84%	0.841	75%	0.749	S	S	*	*			trans	-126.4	119.9	146.7	-86.9	-171.4	-30.1	0	0	108.3	R891	R891-Q893 PolarHBondContact O-N 2.86Å
894	S	23.9	Very low	28.9	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	74%	0.743	S	S	*	*			trans	-96.6	98.4	-179.7	51.1	0	0	0	0	110.2
895	L	27.8	Very low	29.6	Very low	161 Å²	161	141.3 Å²	141.3	84%	0.843	73%	0.728	S	S	*	*			trans	-122.4	96.4	159.2	-64.8	167.2	0	0	0	103.1
896	N	24.2	Very low	30.3	Very low	141 Å²	141	138.9 Å²	138.9	75%	0.754	71%	0.709	S	S	*	*			cis	60	127.1	48.9	-161.5	29.2	0	0	0	112.1
897	V	27.4	Very low	31.4	Very low	90 Å²	90	135 Å²	135	55%	0.545	69%	0.686	S	S	.	*			trans	63.3	108	-157.2	-169.9	0	0	0	0	109.3	D899	V897-D899 HydrophobicContact CG1-CB 4.04Å; V897-D899 VanDerWaalsContact CG1-OD1 3.27Å; V897-D899 WeakPolarHBondContact CG1-OD1 3.23Å
898	Q	28	Very low	33.2	Very low	170 Å²	170	133.9 Å²	133.9	79%	0.794	68%	0.675	S	S	*	*			cis	57.7	37.1	21.3	-139.5	-177.1	37.8	0	0	114.6	F900	Q898-F900 VanDerWaalsContact C-N 3.3Å; Q898-F900 HydrophobicContact CG-CD2 4.5Å; Q898-F900 PolarHBondContact O-N 3.28Å
899	D	25.3	Very low	34.9	Very low	136 Å²	136	129.1 Å²	129.1	73%	0.727	65%	0.65	S	S	*	*			trans	-68.3	93.9	160.3	-83.1	-44.3	0	0	0	108.1	V897 L901	V897-D899 HydrophobicContact CG1-CB 4.04Å; V897-D899 VanDerWaalsContact CG1-OD1 3.27Å; V897-D899 WeakPolarHBondContact CG1-OD1 3.23Å; D899-L901 VanDerWaalsContact C-N 3.3Å; D899-L901 PolarHBondContact O-N 3.12Å
900	F	29.6	Very low	36.5	Very low	173 Å²	173	124 Å²	124	76%	0.759	61%	0.614	S	S	*	*			trans	-57.8	102.3	151.2	-90.9	-93.3	0	0	0	106.9	Q898 P902	Q898-F900 VanDerWaalsContact C-N 3.3Å; Q898-F900 HydrophobicContact CG-CD2 4.5Å; Q898-F900 PolarHBondContact O-N 3.28Å; F900-P902 VanDerWaalsContact O-CD 3.28Å; F900-P902 WeakPolarHBondContact O-CD 3.48Å; F900-P902 VanDerWaalsContact O-N 3.09Å
901	L	32	Very low	38.3	Very low	80 Å²	80	122.1 Å²	122.1	42%	0.419	60%	0.6	S	S	.	*			trans	-49.1	119.4	162	-71.9	172.5	0	0	0	106.9	D899 Q905 V906	D899-L901 VanDerWaalsContact C-N 3.3Å; D899-L901 PolarHBondContact O-N 3.12Å; L901-Q905 HydrophobicContact CB-CB 4.38Å; L901-Q905 HydrophobicContact CD2-CB 4.31Å; L901-Q905 HydrophobicContact CD2-CG 3.91Å; L901-V906 HydrophobicContact CB-CG2 3.82Å
902	P	33.7	Very low	40.3	Very low	74 Å²	74	116.2 Å²	116.2	48%	0.481	58%	0.583	S	S	.	*			trans	-54.2	154	176.5	-26	35	0	0	0	109.9	F900 Q904 Q905 V906	F900-P902 VanDerWaalsContact O-CD 3.28Å; F900-P902 WeakPolarHBondContact O-CD 3.48Å; F900-P902 VanDerWaalsContact O-N 3.09Å; P902-Q904 PolarHBondContact O-N 3.28Å; P902-Q904 VanDerWaalsContact O-N 3.1Å; P902-Q905 WeakPolarHBondContact O-CA 3.42Å; P902-Q905 PolarHBondContact O-N 3.18Å; P902-V906 PolarHBondContact O-N 3.02Å; P902-V906 VanDerWaalsContact O-N 3.14Å
903	L	36.8	Very low	42.3	Very low	127 Å²	127	109.1 Å²	109.1	67%	0.665	56%	0.558	S	S	*	*	H	α-helix	trans	-50.9	-42.1	178.3	-96.2	85.2	0	0	0	111.4	Q905 V906 E907	L903-Q905 PolarHBondContact O-N 3.38Å; L903-Q905 VanDerWaalsContact O-N 3.12Å; L903-V906 PolarHBondContact O-N 3.15Å; L903-V906 VanDerWaalsContact O-N 3.13Å; L903-E907 VanDerWaalsContact O-CB 3.3Å; L903-E907 WeakPolarHBondContact O-CB 3.4Å; L903-E907 WeakPolarHBondContact O-CG 3.31Å; L903-E907 PolarHBondContact O-N 3.41Å
904	Q	41.6	Very low	44.2	Very low	138 Å²	138	100.8 Å²	100.8	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-54.4	-29.5	173.4	-77.2	-169.9	-18.1	0	0	115.4	P902 E907 K908	P902-Q904 PolarHBondContact O-N 3.28Å; P902-Q904 VanDerWaalsContact O-N 3.1Å; Q904-E907 WeakPolarHBondContact CA-OE2 3.36Å; Q904-K908 VanDerWaalsContact O-CB 3.3Å; Q904-K908 WeakPolarHBondContact O-CB 3.48Å; Q904-K908 WeakPolarHBondContact O-CD 3.34Å; Q904-K908 WeakPolarHBondContact O-CG 3.37Å; Q904-K908 PolarHBondContact O-N 3.49Å
905	Q	43.4	Very low	46.7	Very low	95 Å²	95	100.9 Å²	100.9	44%	0.444	51%	0.507	S	S	.	.	H	α-helix	trans	-89.8	-29.1	-178.7	-156.1	169.6	-1.7	0	0	111.6	L901 P902 L903 N909	L901-Q905 HydrophobicContact CB-CB 4.38Å; L901-Q905 HydrophobicContact CD2-CB 4.31Å; L901-Q905 HydrophobicContact CD2-CG 3.91Å; P902-Q905 WeakPolarHBondContact O-CA 3.42Å; P902-Q905 PolarHBondContact O-N 3.18Å; L903-Q905 PolarHBondContact O-N 3.38Å; L903-Q905 VanDerWaalsContact O-N 3.12Å; Q905-N909 WeakPolarHBondContact O-CB 3.22Å; Q905-N909 PolarHBondContact O-N 3.07Å; Q905-N909 PolarHBondContact O-ND2 2.82Å
906	V	41.7	Very low	48.9	Very low	41 Å²	41	98 Å²	98	25%	0.248	49%	0.491	C	S	.	.	H	α-helix	trans	-68.9	-46.6	165.5	-176.7	0	0	0	0	110.3	L901 P902 L903 K908 N909 V910 L1009	L901-V906 HydrophobicContact CB-CG2 3.82Å; P902-V906 PolarHBondContact O-N 3.02Å; P902-V906 VanDerWaalsContact O-N 3.14Å; L903-V906 PolarHBondContact O-N 3.15Å; L903-V906 VanDerWaalsContact O-N 3.13Å; V906-K908 PolarHBondContact O-N 2.83Å; V906-N909 WeakPolarHBondContact O-CB 3.36Å; V906-N909 PolarHBondContact O-N 3.32Å; V906-N909 VanDerWaalsContact O-N 3.15Å; V906-V910 WeakPolarHBondContact O-CG2 3.36Å; V906-V910 PolarHBondContact O-N 2.86Å; V906-L1009 HydrophobicContact CG1-CB 4.22Å
907	E	52.8	Low	51	Low	94 Å²	94	91.4 Å²	91.4	44%	0.439	46%	0.456	S	S	.	.	H	α-helix	trans	-58.8	-44	174.9	-72.4	165.9	170.3	0	0	111.6	L903 Q904 V910 V911	L903-E907 VanDerWaalsContact O-CB 3.3Å; L903-E907 WeakPolarHBondContact O-CB 3.4Å; L903-E907 WeakPolarHBondContact O-CG 3.31Å; L903-E907 PolarHBondContact O-N 3.41Å; Q904-E907 WeakPolarHBondContact CA-OE2 3.36Å; E907-V910 PolarHBondContact O-N 2.71Å; E907-V911 WeakPolarHBondContact O-CB 3.42Å; E907-V911 WeakPolarHBondContact O-CG2 3.37Å; E907-V911 PolarHBondContact O-N 2.97Å
908	K	62.2	Low	53.2	Low	121 Å²	121	87.2 Å²	87.2	53%	0.526	43%	0.431	S	S	.	.	H	α-helix	trans	-60.2	-47.4	171.3	-82	172.4	-179.4	-177.2	0	112.1	Q904 V906 V910 V911 E912	Q904-K908 VanDerWaalsContact O-CB 3.3Å; Q904-K908 WeakPolarHBondContact O-CB 3.48Å; Q904-K908 WeakPolarHBondContact O-CD 3.34Å; Q904-K908 WeakPolarHBondContact O-CG 3.37Å; Q904-K908 PolarHBondContact O-N 3.49Å; V906-K908 PolarHBondContact O-N 2.83Å; K908-V910 VanDerWaalsContact C-N 3.28Å; K908-V910 PolarHBondContact O-N 2.92Å; K908-V911 PolarHBondContact O-N 3.29Å; K908-E912 VanDerWaalsContact O-CB 3.27Å; K908-E912 WeakPolarHBondContact O-CB 3.35Å; K908-E912 WeakPolarHBondContact O-CG 3.35Å; K908-E912 PolarHBondContact O-N 3.45Å
909	N	63.1	Low	55.5	Low	69 Å²	69	82.9 Å²	82.9	37%	0.369	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-36.7	176.9	-74.7	-16.6	0	0	0	112.4	Q905 V906 K913	Q905-N909 WeakPolarHBondContact O-CB 3.22Å; Q905-N909 PolarHBondContact O-N 3.07Å; Q905-N909 PolarHBondContact O-ND2 2.82Å; V906-N909 WeakPolarHBondContact O-CB 3.36Å; V906-N909 PolarHBondContact O-N 3.32Å; V906-N909 VanDerWaalsContact O-N 3.15Å; N909-K913 VanDerWaalsContact O-CB 3.26Å; N909-K913 WeakPolarHBondContact O-CB 3.45Å; N909-K913 WeakPolarHBondContact O-CG 3.28Å; N909-K913 PolarHBondContact O-N 3.38Å
910	V	61.9	Low	57.5	Low	7 Å²	7	78.8 Å²	78.8	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-63.9	-53	172.6	170.9	0	0	0	0	110.6	V906 E907 K908 K913 T914 I1002 L1005 L1009	V906-V910 WeakPolarHBondContact O-CG2 3.36Å; V906-V910 PolarHBondContact O-N 2.86Å; E907-V910 PolarHBondContact O-N 2.71Å; K908-V910 VanDerWaalsContact C-N 3.28Å; K908-V910 PolarHBondContact O-N 2.92Å; V910-K913 PolarHBondContact O-N 2.89Å; V910-T914 WeakPolarHBondContact O-CB 3.46Å; V910-T914 PolarHBondContact O-N 3.12Å; V910-T914 PolarHBondContact O-OG1 2.89Å; V910-I1002 HydrophobicContact CG1-CG1 4.46Å; V910-I1002 HydrophobicContact CG1-CG2 4.39Å; V910-L1005 HydrophobicContact CG1-CB 3.98Å; V910-L1005 HydrophobicContact CG1-CD1 4.31Å; V910-L1005 HydrophobicContact CG2-CB 4.3Å; V910-L1009 HydrophobicContact CG2-CD1 3.52Å
911	V	67.3	Low	59.4	Low	84 Å²	84	70.8 Å²	70.8	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-41.1	-176.2	171.5	0	0	0	0	111.7	E907 K908 K915	E907-V911 WeakPolarHBondContact O-CB 3.42Å; E907-V911 WeakPolarHBondContact O-CG2 3.37Å; E907-V911 PolarHBondContact O-N 2.97Å; K908-V911 PolarHBondContact O-N 3.29Å; V911-K915 WeakPolarHBondContact O-CB 3.4Å; V911-K915 PolarHBondContact O-N 3.18Å
912	E	69.3	Low	61.2	Low	110 Å²	110	67.9 Å²	67.9	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-67.1	-42.4	176.7	-71.2	174.3	-162.2	0	0	111.4	K908 K915 L916	K908-E912 VanDerWaalsContact O-CB 3.27Å; K908-E912 WeakPolarHBondContact O-CB 3.35Å; K908-E912 WeakPolarHBondContact O-CG 3.35Å; K908-E912 PolarHBondContact O-N 3.45Å; E912-K915 PolarHBondContact O-N 2.94Å; E912-L916 VanDerWaalsContact O-CG 3.32Å; E912-L916 WeakPolarHBondContact O-CG 3.44Å; E912-L916 PolarHBondContact O-N 3.49Å
913	K	68.6	Low	62.9	Low	91 Å²	91	71.7 Å²	71.7	40%	0.396	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-45.3	172.9	-79.7	-165.7	167.9	-146.6	0	112.7	N909 V910 K915 L916 I917 C956 L1005	N909-K913 VanDerWaalsContact O-CB 3.26Å; N909-K913 WeakPolarHBondContact O-CB 3.45Å; N909-K913 WeakPolarHBondContact O-CG 3.28Å; N909-K913 PolarHBondContact O-N 3.38Å; V910-K913 PolarHBondContact O-N 2.89Å; K913-K915 VanDerWaalsContact C-N 3.3Å; K913-K915 PolarHBondContact O-N 2.81Å; K913-L916 PolarHBondContact O-N 3.5Å; K913-I917 WeakPolarHBondContact O-CD1 3.43Å; K913-I917 VanDerWaalsContact O-CG1 3.29Å; K913-I917 WeakPolarHBondContact O-CG1 3.29Å; K913-I917 PolarHBondContact O-N 2.93Å; K913-C956 PolarHBondContact NZ-O 2.83Å; K913-L1005 HydrophobicContact CB-CD1 4.38Å
914	T	68.3	Low	64.2	Low	6 Å²	6	67.1 Å²	67.1	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-44.4	175.3	-60.5	0	0	0	0	110.7	V910 L916 I917 I918 E998 L1001 I1002 L1005	V910-T914 WeakPolarHBondContact O-CB 3.46Å; V910-T914 PolarHBondContact O-N 3.12Å; V910-T914 PolarHBondContact O-OG1 2.89Å; T914-L916 PolarHBondContact O-N 3.44Å; T914-I917 PolarHBondContact O-N 3.34Å; T914-I918 HydrophobicContact CG2-CG1 4.23Å; T914-I918 WeakPolarHBondContact O-CB 3.23Å; T914-I918 VanDerWaalsContact O-CG1 3.27Å; T914-I918 WeakPolarHBondContact O-CG1 3.4Å; T914-I918 PolarHBondContact O-N 3.28Å; T914-E998 HydrophobicContact CG2-CG 4.46Å; T914-L1001 HydrophobicContact CG2-CB 4.03Å; T914-L1001 HydrophobicContact CG2-CD1 4.28Å; T914-I1002 HydrophobicContact CG2-CG1 4.08Å; T914-L1005 VanDerWaalsContact OG1-CD1 3.3Å; T914-L1005 WeakPolarHBondContact OG1-CD1 3.16Å
915	K	76.4	Confident	65.3	Low	111 Å²	111	60.9 Å²	60.9	48%	0.483	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-44.7	178.3	-178.4	178.4	175.9	-67.1	0	111.8	V911 E912 K913 I918 E919	V911-K915 WeakPolarHBondContact O-CB 3.4Å; V911-K915 PolarHBondContact O-N 3.18Å; E912-K915 PolarHBondContact O-N 2.94Å; K913-K915 VanDerWaalsContact C-N 3.3Å; K913-K915 PolarHBondContact O-N 2.81Å; K915-I918 PolarHBondContact O-N 3.48Å; K915-E919 WeakPolarHBondContact CE-OE1 3.43Å; K915-E919 HydrophobicContact CG-CG 4.42Å; K915-E919 IonicContact NZ-OE1 3.29Å; K915-E919 PolarHBondContact NZ-OE1 3.22Å; K915-E919 IonicContact NZ-OE2 2.77Å; K915-E919 PolarHBondContact NZ-OE2 3.07Å; K915-E919 VanDerWaalsContact O-CB 3.31Å; K915-E919 WeakPolarHBondContact O-CB 3.31Å; K915-E919 VanDerWaalsContact O-CG 3.28Å; K915-E919 WeakPolarHBondContact O-CG 3.5Å; K915-E919 PolarHBondContact O-N 3.4Å
916	L	72.4	Confident	66.4	Low	100 Å²	100	63.6 Å²	63.6	52%	0.524	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-45.9	175.9	-72.7	168.1	0	0	0	112.2	E912 K913 T914 I918 E919 D920	E912-L916 VanDerWaalsContact O-CG 3.32Å; E912-L916 WeakPolarHBondContact O-CG 3.44Å; E912-L916 PolarHBondContact O-N 3.49Å; K913-L916 PolarHBondContact O-N 3.5Å; T914-L916 PolarHBondContact O-N 3.44Å; L916-I918 VanDerWaalsContact C-N 3.33Å; L916-I918 PolarHBondContact O-N 3.46Å; L916-E919 PolarHBondContact O-N 2.89Å; L916-D920 PolarHBondContact O-N 2.69Å
917	I	69.3	Low	67.4	Low	3 Å²	3	65.6 Å²	65.6	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-57.9	-47.5	175.9	-68.2	160.5	0	0	0	110.1	K913 T914 D920 V921 L953 C956 L957 L1001	K913-I917 WeakPolarHBondContact O-CD1 3.43Å; K913-I917 VanDerWaalsContact O-CG1 3.29Å; K913-I917 WeakPolarHBondContact O-CG1 3.29Å; K913-I917 PolarHBondContact O-N 2.93Å; T914-I917 PolarHBondContact O-N 3.34Å; I917-D920 PolarHBondContact O-N 3.07Å; I917-V921 HydrophobicContact CG2-CG2 4.48Å; I917-V921 VanDerWaalsContact O-CG2 3.23Å; I917-V921 WeakPolarHBondContact O-CG2 3.48Å; I917-V921 PolarHBondContact O-N 3.36Å; I917-L953 HydrophobicContact CD1-CD2 4.12Å; I917-C956 HydrophobicContact CD1-CB 3.92Å; I917-C956 HydrophobicContact CG1-CB 3.67Å; I917-L957 HydrophobicContact CD1-CD2 4.41Å; I917-L1001 HydrophobicContact CB-CD1 4.26Å; I917-L1001 HydrophobicContact CG2-CD1 3.63Å
918	I	73	Confident	67.7	Low	1 Å²	1	67.3 Å²	67.3	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-70.3	-34.7	-179	-65.9	-74.2	0	0	0	111.8	T914 K915 L916 V921 D922 R994 L997 E998 L1001	T914-I918 HydrophobicContact CG2-CG1 4.23Å; T914-I918 WeakPolarHBondContact O-CB 3.23Å; T914-I918 VanDerWaalsContact O-CG1 3.27Å; T914-I918 WeakPolarHBondContact O-CG1 3.4Å; T914-I918 PolarHBondContact O-N 3.28Å; K915-I918 PolarHBondContact O-N 3.48Å; L916-I918 VanDerWaalsContact C-N 3.33Å; L916-I918 PolarHBondContact O-N 3.46Å; I918-V921 PolarHBondContact O-N 3.07Å; I918-D922 WeakPolarHBondContact O-CB 3.48Å; I918-D922 PolarHBondContact O-N 2.98Å; I918-R994 HydrophobicContact CG2-CG 4.26Å; I918-R994 VanDerWaalsContact CG2-NH2 3.32Å; I918-L997 HydrophobicContact CD1-CB 4.02Å; I918-E998 HydrophobicContact CD1-CG 3.89Å; I918-E998 HydrophobicContact CG1-CG 3.73Å; I918-E998 HydrophobicContact CG2-CG 4.41Å; I918-L1001 HydrophobicContact CD1-CD1 3.94Å; I918-L1001 HydrophobicContact CG1-CD1 4.09Å
919	E	77.1	Confident	67.6	Low	80 Å²	80	62.5 Å²	62.5	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-66.8	-37	174.3	-78.4	176.3	152.3	0	0	112.3	K915 L916 D922 R923	K915-E919 WeakPolarHBondContact CE-OE1 3.43Å; K915-E919 HydrophobicContact CG-CG 4.42Å; K915-E919 IonicContact NZ-OE1 3.29Å; K915-E919 PolarHBondContact NZ-OE1 3.22Å; K915-E919 IonicContact NZ-OE2 2.77Å; K915-E919 PolarHBondContact NZ-OE2 3.07Å; K915-E919 VanDerWaalsContact O-CB 3.31Å; K915-E919 WeakPolarHBondContact O-CB 3.31Å; K915-E919 VanDerWaalsContact O-CG 3.28Å; K915-E919 WeakPolarHBondContact O-CG 3.5Å; K915-E919 PolarHBondContact O-N 3.4Å; L916-E919 PolarHBondContact O-N 2.89Å; E919-D922 WeakPolarHBondContact O-CB 3.35Å; E919-R923 WeakPolarHBondContact O-CB 3.45Å; E919-R923 PolarHBondContact O-N 2.73Å
920	D	67.8	Low	67.2	Low	49 Å²	49	62.1 Å²	62.1	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-76.8	-27.9	173.7	-81.3	-22.2	0	0	0	113.1	L916 I917 R923 I924	L916-D920 PolarHBondContact O-N 2.69Å; I917-D920 PolarHBondContact O-N 3.07Å; D920-R923 WeakPolarHBondContact O-CB 3.31Å; D920-R923 PolarHBondContact O-N 2.63Å; D920-R923 IonicContact OD1-CZ 2.66Å; D920-R923 IonicContact OD1-NE 2.67Å; D920-R923 PolarHBondContact OD1-NE 2.67Å; D920-R923 IonicContact OD1-NH2 3.22Å; D920-R923 PolarHBondContact OD1-NH2 3.32Å; D920-I924 WeakPolarHBondContact O-CD1 3.5Å; D920-I924 VanDerWaalsContact O-CG1 3.23Å; D920-I924 WeakPolarHBondContact O-CG1 3.45Å; D920-I924 PolarHBondContact O-N 3Å
921	V	67.9	Low	66.9	Low	5 Å²	5	67 Å²	67	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-68.8	-45.7	166.9	177.1	0	0	0	0	110.2	I917 I918 R923 I924 M925 L949 W990	I917-V921 HydrophobicContact CG2-CG2 4.48Å; I917-V921 VanDerWaalsContact O-CG2 3.23Å; I917-V921 WeakPolarHBondContact O-CG2 3.48Å; I917-V921 PolarHBondContact O-N 3.36Å; I918-V921 PolarHBondContact O-N 3.07Å; V921-R923 PolarHBondContact O-N 3.41Å; V921-I924 PolarHBondContact O-N 3.43Å; V921-M925 HydrophobicContact CG1-CG 4.14Å; V921-M925 WeakPolarHBondContact O-CB 3.41Å; V921-M925 VanDerWaalsContact O-CG 3.27Å; V921-M925 WeakPolarHBondContact O-CG 3.44Å; V921-M925 PolarHBondContact O-N 3.26Å; V921-L949 HydrophobicContact CG1-CD2 4.1Å; V921-L949 HydrophobicContact CG2-CD2 3.61Å; V921-W990 HydrophobicContact CG1-CH2 3.85Å
922	D	70.2	Confident	66.6	Low	19 Å²	19	66.2 Å²	66.2	10%	0.102	31%	0.313	C	S	.	.	H	α-helix	trans	-52.6	-41	171.1	-123.6	-45.7	0	0	0	110.6	I918 E919 R926 R994	I918-D922 WeakPolarHBondContact O-CB 3.48Å; I918-D922 PolarHBondContact O-N 2.98Å; E919-D922 WeakPolarHBondContact O-CB 3.35Å; D922-R926 WeakPolarHBondContact O-CB 3.21Å; D922-R926 WeakPolarHBondContact O-CD 3.42Å; D922-R926 WeakPolarHBondContact O-CG 3.45Å; D922-R926 PolarHBondContact O-N 3.46Å; D922-R926 VanDerWaalsContact O-N 3.09Å; D922-R926 PolarHBondContact O-NE 2.96Å; D922-R926 IonicContact OD1-CZ 3.14Å; D922-R926 VanDerWaalsContact OD1-CZ 3.25Å; D922-R926 IonicContact OD1-NE 2.98Å; D922-R926 PolarHBondContact OD1-NE 3.35Å; D922-R926 IonicContact OD1-NH2 2.8Å; D922-R926 PolarHBondContact OD1-NH2 2.95Å; D922-R994 IonicContact OD2-CZ 2.98Å; D922-R994 IonicContact OD2-NH1 3.72Å; D922-R994 PolarHBondContact OD2-NH1 2.88Å
923	R	70.7	Confident	65.9	Low	154 Å²	154	67.2 Å²	67.2	58%	0.581	32%	0.317	S	S	*	.	H	α-helix	trans	-63.3	-54	175.8	-165.8	-161.3	-51.7	-92.6	1.6	111.6	E919 D920 V921 M925 R926 T927	E919-R923 WeakPolarHBondContact O-CB 3.45Å; E919-R923 PolarHBondContact O-N 2.73Å; D920-R923 WeakPolarHBondContact O-CB 3.31Å; D920-R923 PolarHBondContact O-N 2.63Å; D920-R923 IonicContact OD1-CZ 2.66Å; D920-R923 IonicContact OD1-NE 2.67Å; D920-R923 PolarHBondContact OD1-NE 2.67Å; D920-R923 IonicContact OD1-NH2 3.22Å; D920-R923 PolarHBondContact OD1-NH2 3.32Å; V921-R923 PolarHBondContact O-N 3.41Å; R923-M925 VanDerWaalsContact C-N 3.33Å; R923-M925 PolarHBondContact O-N 2.96Å; R923-R926 CarbonylContact O-C 3.12Å; R923-R926 PolarHBondContact O-N 3.41Å; R923-T927 WeakPolarHBondContact O-CG2 3.33Å; R923-T927 PolarHBondContact O-N 2.94Å; R923-T927 PolarHBondContact O-OG1 3.3Å
924	I	63.7	Low	65.3	Low	31 Å²	31	67.8 Å²	67.8	16%	0.159	33%	0.332	C	S	.	.	H	α-helix	trans	-58.7	-44.8	179.4	-68.9	160.8	0	0	0	110.8	D920 V921 R926 T927 E928 K952	D920-I924 WeakPolarHBondContact O-CD1 3.5Å; D920-I924 VanDerWaalsContact O-CG1 3.23Å; D920-I924 WeakPolarHBondContact O-CG1 3.45Å; D920-I924 PolarHBondContact O-N 3Å; V921-I924 PolarHBondContact O-N 3.43Å; I924-R926 PolarHBondContact O-N 3.4Å; I924-T927 PolarHBondContact O-N 2.89Å; I924-T927 PolarHBondContact O-OG1 3.4Å; I924-E928 HydrophobicContact CG2-CG 3.96Å; I924-E928 WeakPolarHBondContact O-CB 3.43Å; I924-E928 PolarHBondContact O-N 2.9Å; I924-K952 HydrophobicContact CD1-CD 4.2Å; I924-K952 HydrophobicContact CD1-CG 3.77Å
925	M	63.7	Low	64.7	Low	7 Å²	7	69.7 Å²	69.7	3%	0.034	35%	0.346	C	S	.	.	H	α-helix	trans	-62.6	-31.3	177.3	-62.6	-47.1	-68.3	0	0	112.2	V921 R923 F929 S930 L945 F986 W990	V921-M925 HydrophobicContact CG1-CG 4.14Å; V921-M925 WeakPolarHBondContact O-CB 3.41Å; V921-M925 VanDerWaalsContact O-CG 3.27Å; V921-M925 WeakPolarHBondContact O-CG 3.44Å; V921-M925 PolarHBondContact O-N 3.26Å; R923-M925 VanDerWaalsContact C-N 3.33Å; R923-M925 PolarHBondContact O-N 2.96Å; M925-F929 HydrophobicContact CE-CB 4.31Å; M925-F929 HydrophobicContact CE-CD2 3.5Å; M925-F929 VanDerWaalsContact CE-CD2 3.5Å; M925-F929 HydrophobicContact CE-CE2 4.2Å; M925-F929 HydrophobicContact CE-CG 4.23Å; M925-F929 CarbonylContact O-C 3.6Å; M925-F929 WeakPolarHBondContact O-CA 3.48Å; M925-F929 WeakPolarHBondContact O-CB 3.41Å; M925-F929 PolarHBondContact O-N 3.49Å; M925-F929 HydrophobicContact SD-CD2 3.58Å; M925-F929 VanDerWaalsContact SD-CD2 3.58Å; M925-F929 HydrophobicContact SD-CE2 3.97Å; M925-S930 PolarHBondContact O-N 2.86Å; M925-L945 HydrophobicContact CE-CD1 4.35Å; M925-L945 HydrophobicContact SD-CD1 3.79Å; M925-F986 HydrophobicContact CB-CZ 4.13Å; M925-F986 HydrophobicContact CE-CD2 4.44Å; M925-F986 HydrophobicContact CE-CE1 4.31Å; M925-F986 HydrophobicContact CE-CE2 3.56Å; M925-F986 HydrophobicContact CE-CZ 3.48Å; M925-F986 VanDerWaalsContact CE-CZ 3.48Å; M925-F986 HydrophobicContact CG-CZ 4.16Å; M925-W990 HydrophobicContact CG-CH2 4.02Å; M925-W990 HydrophobicContact CG-CZ2 4.44Å; M925-W990 HydrophobicContact CG-CZ3 4.25Å
926	R	66.3	Low	64.1	Low	153 Å²	153	71 Å²	71	58%	0.577	35%	0.352	S	S	*	.	H	α-helix	trans	-85.6	-21.3	176.2	-67.3	163.5	-164	-103.3	3.8	114.2	D922 R923 I924 S930	D922-R926 WeakPolarHBondContact O-CB 3.21Å; D922-R926 WeakPolarHBondContact O-CD 3.42Å; D922-R926 WeakPolarHBondContact O-CG 3.45Å; D922-R926 PolarHBondContact O-N 3.46Å; D922-R926 VanDerWaalsContact O-N 3.09Å; D922-R926 PolarHBondContact O-NE 2.96Å; D922-R926 IonicContact OD1-CZ 3.14Å; D922-R926 VanDerWaalsContact OD1-CZ 3.25Å; D922-R926 IonicContact OD1-NE 2.98Å; D922-R926 PolarHBondContact OD1-NE 3.35Å; D922-R926 IonicContact OD1-NH2 2.8Å; D922-R926 PolarHBondContact OD1-NH2 2.95Å; R923-R926 CarbonylContact O-C 3.12Å; R923-R926 PolarHBondContact O-N 3.41Å; I924-R926 PolarHBondContact O-N 3.4Å; R926-S930 WeakPolarHBondContact O-CB 3.32Å
927	T	64.2	Low	63.9	Low	82 Å²	82	66.4 Å²	66.4	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-91.5	-54.1	177.8	57.6	0	0	0	0	112	R923 I924	R923-T927 WeakPolarHBondContact O-CG2 3.33Å; R923-T927 PolarHBondContact O-N 2.94Å; R923-T927 PolarHBondContact O-OG1 3.3Å; I924-T927 PolarHBondContact O-N 2.89Å; I924-T927 PolarHBondContact O-OG1 3.4Å
928	E	57.5	Low	64	Low	131 Å²	131	69.7 Å²	69.7	61%	0.612	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-35.6	-177.8	-53	-50.6	125.3	0	0	111.6	I924	I924-E928 HydrophobicContact CG2-CG 3.96Å; I924-E928 WeakPolarHBondContact O-CB 3.43Å; I924-E928 PolarHBondContact O-N 2.9Å
929	F	60.3	Low	63.9	Low	19 Å²	19	75.2 Å²	75.2	8%	0.083	37%	0.371	C	S	.	.	S	Bend	trans	-119.9	26.7	-170.4	-48.8	-56.9	0	0	0	113.3	M925 N931 W932 M944	M925-F929 HydrophobicContact CE-CB 4.31Å; M925-F929 HydrophobicContact CE-CD2 3.5Å; M925-F929 VanDerWaalsContact CE-CD2 3.5Å; M925-F929 HydrophobicContact CE-CE2 4.2Å; M925-F929 HydrophobicContact CE-CG 4.23Å; M925-F929 CarbonylContact O-C 3.6Å; M925-F929 WeakPolarHBondContact O-CA 3.48Å; M925-F929 WeakPolarHBondContact O-CB 3.41Å; M925-F929 PolarHBondContact O-N 3.49Å; M925-F929 HydrophobicContact SD-CD2 3.58Å; M925-F929 VanDerWaalsContact SD-CD2 3.58Å; M925-F929 HydrophobicContact SD-CE2 3.97Å; F929-N931 PolarHBondContact O-N 3.31Å; F929-N931 VanDerWaalsContact O-N 3.08Å; F929-W932 HydrophobicContact CB-CB 4.05Å; F929-W932 HydrophobicContact CB-CD2 3.75Å; F929-W932 HydrophobicContact CB-CE3 3.69Å; F929-W932 HydrophobicContact CB-CG 3.92Å; F929-W932 HydrophobicContact CB-CZ3 4.4Å; F929-W932 AromaticContact CD1-CD2 3.54Å; F929-W932 HydrophobicContact CD1-CD2 3.54Å; F929-W932 AromaticContact CD1-CE2 3.55Å; F929-W932 AromaticContact CD1-CE3 3.45Å; F929-W932 HydrophobicContact CD1-CE3 3.45Å; F929-W932 VanDerWaalsContact CD1-CE3 3.45Å; F929-W932 HydrophobicContact CD1-CG 4.38Å; F929-W932 AromaticContact CD1-CH2 3.42Å; F929-W932 HydrophobicContact CD1-CH2 3.42Å; F929-W932 VanDerWaalsContact CD1-CH2 3.42Å; F929-W932 AromaticContact CD1-CZ2 3.52Å; F929-W932 HydrophobicContact CD1-CZ2 3.52Å; F929-W932 AromaticContact CD1-CZ3 3.38Å; F929-W932 HydrophobicContact CD1-CZ3 3.38Å; F929-W932 HydrophobicContact CD2-CE3 4.25Å; F929-W932 HydrophobicContact CD2-CZ3 4.17Å; F929-W932 HydrophobicContact CE1-CD2 4.42Å; F929-W932 HydrophobicContact CE1-CE3 4.12Å; F929-W932 AromaticContact CE1-CH2 3.27Å; F929-W932 HydrophobicContact CE1-CH2 3.27Å; F929-W932 AromaticContact CE1-CZ2 3.64Å; F929-W932 HydrophobicContact CE1-CZ2 3.64Å; F929-W932 AromaticContact CE1-CZ3 3.54Å; F929-W932 HydrophobicContact CE1-CZ3 3.54Å; F929-W932 HydrophobicContact CE2-CZ3 4.31Å; F929-W932 AromaticContact CG-CD2 3.85Å; F929-W932 HydrophobicContact CG-CD2 3.85Å; F929-W932 AromaticContact CG-CE3 3.52Å; F929-W932 HydrophobicContact CG-CE3 3.52Å; F929-W932 HydrophobicContact CG-CH2 4.24Å; F929-W932 AromaticContact CG-CZ3 3.72Å; F929-W932 HydrophobicContact CG-CZ3 3.72Å; F929-W932 AromaticContact CZ-CH2 3.99Å; F929-W932 HydrophobicContact CZ-CH2 3.99Å; F929-W932 HydrophobicContact CZ-CZ3 4.01Å; F929-W932 WeakPolarHBondContact O-CB 3.27Å; F929-W932 PolarHBondContact O-N 3.44Å; F929-M944 HydrophobicContact CZ-CB 4.19Å; F929-M944 HydrophobicContact CZ-CE 4.4Å
930	S	55.9	Low	63.5	Low	61 Å²	61	76.7 Å²	76.7	43%	0.427	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-48.1	-33.6	169.6	47	0	0	0	0	113.8	M925 R926 W932	M925-S930 PolarHBondContact O-N 2.86Å; R926-S930 WeakPolarHBondContact O-CB 3.32Å; S930-W932 VanDerWaalsContact C-N 3.32Å
931	N	55.9	Low	63.4	Low	110 Å²	110	74.5 Å²	74.5	59%	0.588	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-84.1	-0.6	179.6	-58.8	-51.2	0	0	0	113.7	F929	F929-N931 PolarHBondContact O-N 3.31Å; F929-N931 VanDerWaalsContact O-N 3.08Å
932	W	59.6	Low	63.5	Low	68 Å²	68	74.4 Å²	74.4	26%	0.258	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-99.7	0.9	-174.6	-69.4	3.5	0	0	0	114.6	F929 S930 S934 C935 A941 F986	F929-W932 HydrophobicContact CB-CB 4.05Å; F929-W932 HydrophobicContact CB-CD2 3.75Å; F929-W932 HydrophobicContact CB-CE3 3.69Å; F929-W932 HydrophobicContact CB-CG 3.92Å; F929-W932 HydrophobicContact CB-CZ3 4.4Å; F929-W932 AromaticContact CD1-CD2 3.54Å; F929-W932 HydrophobicContact CD1-CD2 3.54Å; F929-W932 AromaticContact CD1-CE2 3.55Å; F929-W932 AromaticContact CD1-CE3 3.45Å; F929-W932 HydrophobicContact CD1-CE3 3.45Å; F929-W932 VanDerWaalsContact CD1-CE3 3.45Å; F929-W932 HydrophobicContact CD1-CG 4.38Å; F929-W932 AromaticContact CD1-CH2 3.42Å; F929-W932 HydrophobicContact CD1-CH2 3.42Å; F929-W932 VanDerWaalsContact CD1-CH2 3.42Å; F929-W932 AromaticContact CD1-CZ2 3.52Å; F929-W932 HydrophobicContact CD1-CZ2 3.52Å; F929-W932 AromaticContact CD1-CZ3 3.38Å; F929-W932 HydrophobicContact CD1-CZ3 3.38Å; F929-W932 HydrophobicContact CD2-CE3 4.25Å; F929-W932 HydrophobicContact CD2-CZ3 4.17Å; F929-W932 HydrophobicContact CE1-CD2 4.42Å; F929-W932 HydrophobicContact CE1-CE3 4.12Å; F929-W932 AromaticContact CE1-CH2 3.27Å; F929-W932 HydrophobicContact CE1-CH2 3.27Å; F929-W932 AromaticContact CE1-CZ2 3.64Å; F929-W932 HydrophobicContact CE1-CZ2 3.64Å; F929-W932 AromaticContact CE1-CZ3 3.54Å; F929-W932 HydrophobicContact CE1-CZ3 3.54Å; F929-W932 HydrophobicContact CE2-CZ3 4.31Å; F929-W932 AromaticContact CG-CD2 3.85Å; F929-W932 HydrophobicContact CG-CD2 3.85Å; F929-W932 AromaticContact CG-CE3 3.52Å; F929-W932 HydrophobicContact CG-CE3 3.52Å; F929-W932 HydrophobicContact CG-CH2 4.24Å; F929-W932 AromaticContact CG-CZ3 3.72Å; F929-W932 HydrophobicContact CG-CZ3 3.72Å; F929-W932 AromaticContact CZ-CH2 3.99Å; F929-W932 HydrophobicContact CZ-CH2 3.99Å; F929-W932 HydrophobicContact CZ-CZ3 4.01Å; F929-W932 WeakPolarHBondContact O-CB 3.27Å; F929-W932 PolarHBondContact O-N 3.44Å; S930-W932 VanDerWaalsContact C-N 3.32Å; W932-S934 PolarHBondContact O-N 2.84Å; W932-C935 HydrophobicContact CB-CB 3.98Å; W932-C935 HydrophobicContact CG-CB 4.11Å; W932-C935 PolarHBondContact O-N 3.46Å; W932-A941 HydrophobicContact CE3-CB 4.24Å; W932-A941 HydrophobicContact CH2-CB 3.59Å; W932-A941 HydrophobicContact CZ2-CB 4.49Å; W932-A941 HydrophobicContact CZ3-CB 3.42Å; W932-A941 VanDerWaalsContact CZ3-CB 3.42Å; W932-F986 WeakPolarHBondContact O-CB 3.35Å
933	E	56	Low	63.5	Low	130 Å²	130	78.7 Å²	78.7	61%	0.607	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.7	175.1	-61.8	-169.6	154.9	0	0	113.1	S987	E933-S987 WeakPolarHBondContact O-CB 3.39Å; E933-S987 PolarHBondContact O-OG 2.8Å
934	S	54.6	Low	63.4	Low	103 Å²	103	76.3 Å²	76.3	72%	0.72	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	4.7	175.5	58.2	0	0	0	0	114.8	W932	W932-S934 PolarHBondContact O-N 2.84Å
935	C	57.3	Low	63.7	Low	46 Å²	46	75 Å²	75	31%	0.311	38%	0.381	S	S	.	.			trans	-95.5	152.1	-177.9	-70.2	0	0	0	0	112.5	W932 F986	W932-C935 HydrophobicContact CB-CB 3.98Å; W932-C935 HydrophobicContact CG-CB 4.11Å; W932-C935 PolarHBondContact O-N 3.46Å; C935-F986 PolarHBondContact O-N 3.37Å
936	F	63.6	Low	64.3	Low	140 Å²	140	77.1 Å²	77.1	61%	0.614	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-82.9	145.4	167.3	-68.7	-83.3	0	0	0	110.1	D938 D983 R984	F936-D938 PolarHBondContact O-N 2.86Å; F936-D983 VanDerWaalsContact CD1-O 3.27Å; F936-D983 WeakPolarHBondContact CD1-O 3.32Å; F936-R984 WeakPolarHBondContact CA-O 3.49Å
937	L	67.2	Low	64.5	Low	3 Å²	3	76 Å²	76	2%	0.016	39%	0.386	C	S	.	.			trans	-77.7	107.4	173.2	-69.4	174.4	0	0	0	110.5	A941 L942 F981 D983 R984 F986 C989	L937-A941 HydrophobicContact CD2-CB 3.93Å; L937-L942 HydrophobicContact CB-CD2 4.1Å; L937-L942 HydrophobicContact CB-CG 4.3Å; L937-L942 HydrophobicContact CD1-CD2 3.92Å; L937-L942 HydrophobicContact CD2-CD2 4.38Å; L937-L942 HydrophobicContact CG-CD2 4.37Å; L937-F981 HydrophobicContact CD1-CB 4.01Å; L937-D983 PolarHBondContact O-N 3.35Å; L937-D983 VanDerWaalsContact O-N 3.13Å; L937-R984 PolarHBondContact N-O 2.89Å; L937-R984 VanDerWaalsContact N-O 3.08Å; L937-F986 HydrophobicContact CD1-CD2 4.42Å; L937-F986 HydrophobicContact CD2-CD2 4.13Å; L937-C989 WeakPolarHBondContact CD1-SG 3.49Å
938	D	72.1	Confident	64.8	Low	72 Å²	72	73.2 Å²	73.2	39%	0.385	37%	0.372	S	S	.	.			trans	-89.6	174.8	169.1	84.4	-31.4	0	0	0	111.6	F936 N940 A941 L942	F936-D938 PolarHBondContact O-N 2.86Å; D938-N940 PolarHBondContact O-N 2.89Å; D938-N940 PolarHBondContact OD1-N 3.38Å; D938-N940 PolarHBondContact OD2-ND2 3.3Å; D938-A941 PolarHBondContact O-N 2.94Å; D938-A941 VanDerWaalsContact OD1-CB 3.29Å; D938-A941 WeakPolarHBondContact OD1-CB 3.16Å; D938-A941 PolarHBondContact OD1-N 3.05Å; D938-L942 WeakPolarHBondContact O-CG 3.45Å; D938-L942 PolarHBondContact O-N 3.48Å; D938-L942 VanDerWaalsContact O-N 3.08Å
939	E	70.4	Confident	65.4	Low	116 Å²	116	67.2 Å²	67.2	54%	0.542	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-30.2	-179.9	-63.4	-171.1	131.2	0	0	112.6	L943 Y979 I982	E939-L943 VanDerWaalsContact O-CB 3.31Å; E939-L943 WeakPolarHBondContact O-CB 3.46Å; E939-L943 PolarHBondContact O-N 3.35Å; E939-Y979 PolarHBondContact OE1-OH 3.44Å; E939-I982 HydrophobicContact CG-CD1 4.44Å
940	N	67.7	Low	66	Low	111 Å²	111	68 Å²	68	59%	0.594	35%	0.348	S	S	*	.	H	α-helix	trans	-72.1	-44.3	177.9	-58.3	-70.6	0	0	0	111.6	D938 L942 L943 M944	D938-N940 PolarHBondContact O-N 2.89Å; D938-N940 PolarHBondContact OD1-N 3.38Å; D938-N940 PolarHBondContact OD2-ND2 3.3Å; N940-L942 VanDerWaalsContact C-N 3.33Å; N940-L942 PolarHBondContact O-N 2.91Å; N940-L943 PolarHBondContact O-N 3.05Å; N940-M944 WeakPolarHBondContact O-CG 3.42Å; N940-M944 PolarHBondContact O-N 3.18Å
941	A	66	Low	66.6	Low	3 Å²	3	68 Å²	68	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-59.1	-44.1	175	0	0	0	0	0	111.6	W932 L937 D938 M944 L945	W932-A941 HydrophobicContact CE3-CB 4.24Å; W932-A941 HydrophobicContact CH2-CB 3.59Å; W932-A941 HydrophobicContact CZ2-CB 4.49Å; W932-A941 HydrophobicContact CZ3-CB 3.42Å; W932-A941 VanDerWaalsContact CZ3-CB 3.42Å; L937-A941 HydrophobicContact CD2-CB 3.93Å; D938-A941 PolarHBondContact O-N 2.94Å; D938-A941 VanDerWaalsContact OD1-CB 3.29Å; D938-A941 WeakPolarHBondContact OD1-CB 3.16Å; D938-A941 PolarHBondContact OD1-N 3.05Å; A941-M944 PolarHBondContact O-N 2.89Å; A941-L945 VanDerWaalsContact O-CB 3.26Å; A941-L945 WeakPolarHBondContact O-CB 3.16Å; A941-L945 PolarHBondContact O-N 2.82Å
942	L	69.9	Low	67.1	Low	4 Å²	4	65 Å²	65	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-68.4	-35	176.2	-65	179.2	0	0	0	112.8	L937 D938 N940 L945 R946 L978 Y979 I982	L937-L942 HydrophobicContact CB-CD2 4.1Å; L937-L942 HydrophobicContact CB-CG 4.3Å; L937-L942 HydrophobicContact CD1-CD2 3.92Å; L937-L942 HydrophobicContact CD2-CD2 4.38Å; L937-L942 HydrophobicContact CG-CD2 4.37Å; D938-L942 WeakPolarHBondContact O-CG 3.45Å; D938-L942 PolarHBondContact O-N 3.48Å; D938-L942 VanDerWaalsContact O-N 3.08Å; N940-L942 VanDerWaalsContact C-N 3.33Å; N940-L942 PolarHBondContact O-N 2.91Å; L942-L945 HydrophobicContact CD2-CD2 4.45Å; L942-R946 VanDerWaalsContact O-CB 3.31Å; L942-R946 WeakPolarHBondContact O-CB 3.16Å; L942-R946 PolarHBondContact O-N 3.33Å; L942-L978 WeakPolarHBondContact CD1-O 3.15Å; L942-L978 HydrophobicContact CD2-CB 4.22Å; L942-L978 HydrophobicContact CD2-CD2 4.42Å; L942-Y979 HydrophobicContact CD1-CD2 4.48Å; L942-I982 HydrophobicContact CD1-CB 4.47Å; L942-I982 HydrophobicContact CD1-CD1 4.11Å; L942-I982 HydrophobicContact CD1-CG1 3.29Å
943	L	70.1	Confident	67.4	Low	108 Å²	108	62 Å²	62	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-68.1	-42.5	175.6	-170.4	66.5	0	0	0	111.7	E939 N940 R946 Y947	E939-L943 VanDerWaalsContact O-CB 3.31Å; E939-L943 WeakPolarHBondContact O-CB 3.46Å; E939-L943 PolarHBondContact O-N 3.35Å; N940-L943 PolarHBondContact O-N 3.05Å; L943-R946 PolarHBondContact O-N 3.43Å; L943-Y947 WeakPolarHBondContact O-CB 3.27Å; L943-Y947 PolarHBondContact O-N 3.14Å
944	M	68.6	Low	67.9	Low	105 Å²	105	61.3 Å²	61.3	52%	0.517	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-45.8	173.3	-75.5	-64.8	-66.3	0	0	111.8	F929 N940 A941 Y947 A948	F929-M944 HydrophobicContact CZ-CB 4.19Å; F929-M944 HydrophobicContact CZ-CE 4.4Å; N940-M944 WeakPolarHBondContact O-CG 3.42Å; N940-M944 PolarHBondContact O-N 3.18Å; A941-M944 PolarHBondContact O-N 2.89Å; M944-Y947 PolarHBondContact O-N 2.85Å; M944-A948 WeakPolarHBondContact O-CB 3.42Å; M944-A948 PolarHBondContact O-N 3.29Å
945	L	69.9	Low	68.4	Low	2 Å²	2	61.2 Å²	61.2	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-44.2	176.1	174.9	57.8	0	0	0	111.9	M925 A941 L942 Y947 A948 L949 L978 L993	M925-L945 HydrophobicContact CE-CD1 4.35Å; M925-L945 HydrophobicContact SD-CD1 3.79Å; A941-L945 VanDerWaalsContact O-CB 3.26Å; A941-L945 WeakPolarHBondContact O-CB 3.16Å; A941-L945 PolarHBondContact O-N 2.82Å; L942-L945 HydrophobicContact CD2-CD2 4.45Å; L945-Y947 VanDerWaalsContact C-N 3.33Å; L945-Y947 PolarHBondContact O-N 2.75Å; L945-A948 PolarHBondContact O-N 3.22Å; L945-L949 HydrophobicContact CD1-CD1 3.77Å; L945-L949 HydrophobicContact CD1-CG 4.14Å; L945-L949 HydrophobicContact CG-CD1 3.98Å; L945-L949 WeakPolarHBondContact O-CB 3.5Å; L945-L949 WeakPolarHBondContact O-CD1 3.48Å; L945-L949 VanDerWaalsContact O-CG 3.31Å; L945-L949 WeakPolarHBondContact O-CG 3.23Å; L945-L949 PolarHBondContact O-N 3.47Å; L945-L978 HydrophobicContact CD2-CD2 3.52Å; L945-L978 HydrophobicContact CG-CD1 4.45Å; L945-L978 HydrophobicContact CG-CD2 3.95Å; L945-L993 HydrophobicContact CD2-CD2 3.83Å
946	R	77	Confident	68.4	Low	53 Å²	53	60.8 Å²	60.8	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-57.3	-45.8	173.5	-173.5	-177.3	177.6	-176.2	0.3	111.5	L942 L943 L950 S971 L974 L978	L942-R946 VanDerWaalsContact O-CB 3.31Å; L942-R946 WeakPolarHBondContact O-CB 3.16Å; L942-R946 PolarHBondContact O-N 3.33Å; L943-R946 PolarHBondContact O-N 3.43Å; R946-L950 HydrophobicContact CG-CD1 4Å; R946-L950 VanDerWaalsContact O-CG 3.3Å; R946-L950 WeakPolarHBondContact O-CG 3.4Å; R946-L950 PolarHBondContact O-N 3.25Å; R946-L950 VanDerWaalsContact O-N 3.07Å; R946-S971 PolarHBondContact NH2-OG 3.36Å; R946-L974 HydrophobicContact CG-CD2 4.14Å; R946-L978 HydrophobicContact CB-CD1 3.61Å; R946-L978 HydrophobicContact CG-CD1 4.23Å
947	Y	70.9	Confident	68.1	Low	128 Å²	128	55.8 Å²	55.8	50%	0.502	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-47.5	-179.6	-174.5	-101.1	0	0	0	112	L943 M944 L945 L949 L950 L951	L943-Y947 WeakPolarHBondContact O-CB 3.27Å; L943-Y947 PolarHBondContact O-N 3.14Å; M944-Y947 PolarHBondContact O-N 2.85Å; L945-Y947 VanDerWaalsContact C-N 3.33Å; L945-Y947 PolarHBondContact O-N 2.75Å; Y947-L949 PolarHBondContact O-N 3.08Å; Y947-L950 PolarHBondContact O-N 2.82Å; Y947-L951 HydrophobicContact CE1-CD1 3.69Å; Y947-L951 WeakPolarHBondContact O-CB 3.46Å; Y947-L951 PolarHBondContact O-N 3.25Å
948	A	69.6	Low	67.7	Low	25 Å²	25	57.8 Å²	57.8	21%	0.207	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-43.6	177.7	0	0	0	0	0	112.3	M944 L945 L951 K952	M944-A948 WeakPolarHBondContact O-CB 3.42Å; M944-A948 PolarHBondContact O-N 3.29Å; L945-A948 PolarHBondContact O-N 3.22Å; A948-L951 PolarHBondContact O-N 2.99Å; A948-K952 PolarHBondContact O-N 2.79Å
949	L	69.9	Low	66.8	Low	4 Å²	4	61.9 Å²	61.9	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-48.5	176.1	-77.6	165.2	0	0	0	112.1	V921 L945 Y947 L951 K952 L953 L974 L997	V921-L949 HydrophobicContact CG1-CD2 4.1Å; V921-L949 HydrophobicContact CG2-CD2 3.61Å; L945-L949 HydrophobicContact CD1-CD1 3.77Å; L945-L949 HydrophobicContact CD1-CG 4.14Å; L945-L949 HydrophobicContact CG-CD1 3.98Å; L945-L949 WeakPolarHBondContact O-CB 3.5Å; L945-L949 WeakPolarHBondContact O-CD1 3.48Å; L945-L949 VanDerWaalsContact O-CG 3.31Å; L945-L949 WeakPolarHBondContact O-CG 3.23Å; L945-L949 PolarHBondContact O-N 3.47Å; Y947-L949 PolarHBondContact O-N 3.08Å; L949-L951 VanDerWaalsContact C-N 3.35Å; L949-L951 PolarHBondContact O-N 3.48Å; L949-K952 PolarHBondContact O-N 3.27Å; L949-L953 WeakPolarHBondContact O-CB 3.46Å; L949-L953 WeakPolarHBondContact O-CD1 3.48Å; L949-L953 VanDerWaalsContact O-CG 3.22Å; L949-L953 WeakPolarHBondContact O-CG 3.48Å; L949-L953 PolarHBondContact O-N 3.13Å; L949-L974 HydrophobicContact CB-CD2 3.88Å; L949-L974 HydrophobicContact CD1-CD1 3.87Å; L949-L974 HydrophobicContact CD1-CD2 3.92Å; L949-L974 HydrophobicContact CD1-CG 4.49Å; L949-L997 HydrophobicContact CD1-CD1 4.11Å; L949-L997 HydrophobicContact CD1-CD2 3.7Å; L949-L997 HydrophobicContact CD2-CD1 4.25Å; L949-L997 HydrophobicContact CD2-CD2 4.24Å
950	L	73.2	Confident	65.7	Low	35 Å²	35	62.1 Å²	62.1	18%	0.183	31%	0.309	C	S	.	.	H	α-helix	trans	-65.7	-37	179.6	-70.8	169.7	0	0	0	112.5	R946 Y947 L953 K954 L974	R946-L950 HydrophobicContact CG-CD1 4Å; R946-L950 VanDerWaalsContact O-CG 3.3Å; R946-L950 WeakPolarHBondContact O-CG 3.4Å; R946-L950 PolarHBondContact O-N 3.25Å; R946-L950 VanDerWaalsContact O-N 3.07Å; Y947-L950 PolarHBondContact O-N 2.82Å; L950-L953 PolarHBondContact O-N 3.41Å; L950-K954 PolarHBondContact O-N 3.44Å; L950-L974 HydrophobicContact CG-CD2 4.42Å
951	L	69.3	Low	64.8	Low	61 Å²	61	66 Å²	66	32%	0.319	32%	0.324	S	S	.	.	H	α-helix	trans	-70.1	-41.5	179.7	-161.9	144.6	0	0	0	111.4	Y947 A948 L949 K954 E955	Y947-L951 HydrophobicContact CE1-CD1 3.69Å; Y947-L951 WeakPolarHBondContact O-CB 3.46Å; Y947-L951 PolarHBondContact O-N 3.25Å; A948-L951 PolarHBondContact O-N 2.99Å; L949-L951 VanDerWaalsContact C-N 3.35Å; L949-L951 PolarHBondContact O-N 3.48Å; L951-K954 WeakPolarHBondContact O-CB 3.37Å; L951-K954 PolarHBondContact O-N 2.87Å; L951-E955 VanDerWaalsContact CD2-OE1 3.3Å; L951-E955 WeakPolarHBondContact CD2-OE1 3.29Å; L951-E955 PolarHBondContact O-N 3.13Å
952	K	66.7	Low	64	Low	49 Å²	49	70 Å²	70	21%	0.213	35%	0.351	C	S	.	.	H	α-helix	trans	-68.5	-31.5	171.7	-70.3	-67.7	167.1	-144.7	0	113.3	I924 A948 L949 K954 E955 C956	I924-K952 HydrophobicContact CD1-CD 4.2Å; I924-K952 HydrophobicContact CD1-CG 3.77Å; A948-K952 PolarHBondContact O-N 2.79Å; L949-K952 PolarHBondContact O-N 3.27Å; K952-K954 VanDerWaalsContact C-N 3.33Å; K952-K954 PolarHBondContact O-N 3.02Å; K952-E955 WeakPolarHBondContact CD-OE2 3.26Å; K952-E955 IonicContact NZ-OE1 3.54Å; K952-E955 PolarHBondContact NZ-OE1 3.22Å; K952-E955 IonicContact NZ-OE2 2.73Å; K952-E955 PolarHBondContact NZ-OE2 3.48Å; K952-E955 PolarHBondContact O-N 3.49Å; K952-C956 WeakPolarHBondContact O-CB 3.48Å; K952-C956 PolarHBondContact O-N 3.45Å; K952-C956 PolarHBondContact O-SG 2.85Å; K952-C956 VanDerWaalsContact O-SG 3.32Å
953	L	65.8	Low	63.1	Low	3 Å²	3	69.9 Å²	69.9	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-67.5	-31.6	171.7	-75.7	165.6	0	0	0	113.3	I917 L949 L950 L957 L967 V970 L1001	I917-L953 HydrophobicContact CD1-CD2 4.12Å; L949-L953 WeakPolarHBondContact O-CB 3.46Å; L949-L953 WeakPolarHBondContact O-CD1 3.48Å; L949-L953 VanDerWaalsContact O-CG 3.22Å; L949-L953 WeakPolarHBondContact O-CG 3.48Å; L949-L953 PolarHBondContact O-N 3.13Å; L950-L953 PolarHBondContact O-N 3.41Å; L953-L957 HydrophobicContact CB-CD1 4.47Å; L953-L957 HydrophobicContact CD2-CD1 3.74Å; L953-L957 HydrophobicContact CD2-CG 4.47Å; L953-L957 VanDerWaalsContact O-CB 3.28Å; L953-L957 WeakPolarHBondContact O-CB 3.41Å; L953-L957 WeakPolarHBondContact O-CG 3.31Å; L953-L957 PolarHBondContact O-N 3.38Å; L953-L967 HydrophobicContact CB-CD2 3.64Å; L953-V970 HydrophobicContact CD1-CB 4.4Å; L953-V970 HydrophobicContact CD1-CG1 3.65Å; L953-L1001 HydrophobicContact CD1-CD2 3.98Å; L953-L1001 HydrophobicContact CD2-CD2 3.36Å; L953-L1001 HydrophobicContact CG-CD2 4.2Å
954	K	67	Low	62.4	Low	116 Å²	116	67 Å²	67	50%	0.504	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-56	169.3	-169.9	-177.8	177.5	-173	0	109.4	L950 L951 K952 C956 L957 F958 L967	L950-K954 PolarHBondContact O-N 3.44Å; L951-K954 WeakPolarHBondContact O-CB 3.37Å; L951-K954 PolarHBondContact O-N 2.87Å; K952-K954 VanDerWaalsContact C-N 3.33Å; K952-K954 PolarHBondContact O-N 3.02Å; K954-C956 PolarHBondContact O-N 2.73Å; K954-L957 PolarHBondContact O-N 3.47Å; K954-F958 PolarHBondContact O-N 3.16Å; K954-L967 HydrophobicContact CB-CD1 3.81Å; K954-L967 HydrophobicContact CG-CD1 4Å
955	E	64.6	Low	61.6	Low	101 Å²	101	67.4 Å²	67.4	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-57.7	-44.9	-178.3	-68.2	176.4	-150.2	0	0	114.4	L951 K952 L957	L951-E955 VanDerWaalsContact CD2-OE1 3.3Å; L951-E955 WeakPolarHBondContact CD2-OE1 3.29Å; L951-E955 PolarHBondContact O-N 3.13Å; K952-E955 WeakPolarHBondContact CD-OE2 3.26Å; K952-E955 IonicContact NZ-OE1 3.54Å; K952-E955 PolarHBondContact NZ-OE1 3.22Å; K952-E955 IonicContact NZ-OE2 2.73Å; K952-E955 PolarHBondContact NZ-OE2 3.48Å; K952-E955 PolarHBondContact O-N 3.49Å; E955-L957 PolarHBondContact O-N 2.94Å
956	C	57.2	Low	61.2	Low	38 Å²	38	68.5 Å²	68.5	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-80.7	-14.6	-172.6	-64.2	0	0	0	0	114.6	K913 I917 K952 K954	K913-C956 PolarHBondContact NZ-O 2.83Å; I917-C956 HydrophobicContact CD1-CB 3.92Å; I917-C956 HydrophobicContact CG1-CB 3.67Å; K952-C956 WeakPolarHBondContact O-CB 3.48Å; K952-C956 PolarHBondContact O-N 3.45Å; K952-C956 PolarHBondContact O-SG 2.85Å; K952-C956 VanDerWaalsContact O-SG 3.32Å; K954-C956 PolarHBondContact O-N 2.73Å
957	L	57.5	Low	60.7	Low	34 Å²	34	67.3 Å²	67.3	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-121.5	-30.8	-170.2	-54.9	-179.9	0	0	0	113.9	I917 L953 K954 E955 F966 L1005	I917-L957 HydrophobicContact CD1-CD2 4.41Å; L953-L957 HydrophobicContact CB-CD1 4.47Å; L953-L957 HydrophobicContact CD2-CD1 3.74Å; L953-L957 HydrophobicContact CD2-CG 4.47Å; L953-L957 VanDerWaalsContact O-CB 3.28Å; L953-L957 WeakPolarHBondContact O-CB 3.41Å; L953-L957 WeakPolarHBondContact O-CG 3.31Å; L953-L957 PolarHBondContact O-N 3.38Å; K954-L957 PolarHBondContact O-N 3.47Å; E955-L957 PolarHBondContact O-N 2.94Å; L957-F966 HydrophobicContact CD1-CD1 4.01Å; L957-F966 HydrophobicContact CD1-CE1 3.23Å; L957-F966 HydrophobicContact CD1-CE2 4.45Å; L957-F966 HydrophobicContact CD1-CZ 3.51Å; L957-L1005 HydrophobicContact CD2-CD2 3.55Å; L957-L1005 HydrophobicContact CD2-CG 4.41Å
958	F	58.4	Low	60.3	Low	46 Å²	46	64.4 Å²	64.4	20%	0.202	34%	0.342	C	S	.	.			trans	-135.1	104.3	-169.2	-56.7	-71.7	0	0	0	112.7	K954 G963 F966	K954-F958 PolarHBondContact O-N 3.16Å; F958-G963 VanDerWaalsContact CD2-CA 3.47Å; F958-F966 HydrophobicContact CE2-CB 3.7Å; F958-F966 AromaticContact CE2-CD1 3.56Å; F958-F966 HydrophobicContact CE2-CD1 3.56Å; F958-F966 HydrophobicContact CE2-CE1 4.3Å; F958-F966 AromaticContact CE2-CG 3.69Å; F958-F966 HydrophobicContact CE2-CG 3.69Å; F958-F966 HydrophobicContact CZ-CB 3.45Å; F958-F966 VanDerWaalsContact CZ-CB 3.45Å; F958-F966 AromaticContact CZ-CD1 3.94Å; F958-F966 HydrophobicContact CZ-CD1 3.94Å; F958-F966 HydrophobicContact CZ-CD2 4.09Å; F958-F966 AromaticContact CZ-CG 3.57Å; F958-F966 HydrophobicContact CZ-CG 3.57Å
959	N	53.1	Low	60.2	Low	157 Å²	157	69.3 Å²	69.3	84%	0.84	36%	0.358	S	S	*	.	S	Bend	trans	-76.2	-13.8	163.8	-66.8	-15.2	0	0	0	112.2
960	D	48.2	Very low	60.3	Low	121 Å²	121	69.2 Å²	69.2	65%	0.647	36%	0.358	S	S	*	.	S	Bend	trans	-121.7	157.4	-171.2	-49.8	-61.9	0	0	0	111.4	S962 G963	D960-S962 PolarHBondContact O-N 3.37Å; D960-G963 PolarHBondContact O-N 3.45Å
961	E	48.7	Very low	60.3	Low	192 Å²	192	68.3 Å²	68.3	90%	0.897	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-61.6	-14	-176.7	-60.6	-175	144.4	0	0	114.9	G963	E961-G963 PolarHBondContact O-N 3.01Å
962	S	47.6	Very low	60.5	Low	87 Å²	87	70.2 Å²	70.2	61%	0.608	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.4	-8.7	-179.1	58.2	0	0	0	0	114.9	D960 S964	D960-S962 PolarHBondContact O-N 3.37Å; S962-S964 VanDerWaalsContact C-N 3.34Å; S962-S964 PolarHBondContact O-N 2.95Å
963	G	51.7	Low	60.9	Low	3 Å²	3	72 Å²	72	3%	0.031	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-71.7	-15.3	179.5	0	0	0	0	0	116.8	F958 D960 E961 L965 F966 L967	F958-G963 VanDerWaalsContact CD2-CA 3.47Å; D960-G963 PolarHBondContact O-N 3.45Å; E961-G963 PolarHBondContact O-N 3.01Å; G963-L965 PolarHBondContact O-N 2.89Å; G963-F966 WeakPolarHBondContact O-CB 3.28Å; G963-F966 PolarHBondContact O-N 2.92Å; G963-F966 VanDerWaalsContact O-N 3.09Å; G963-L967 WeakPolarHBondContact O-CG 3.48Å; G963-L967 PolarHBondContact O-N 3.48Å
964	S	56.6	Low	61.5	Low	46 Å²	46	72 Å²	72	32%	0.322	37%	0.374	S	S	.	.	H	α-helix	trans	-53.7	-49.8	-175	55.9	0	0	0	0	113.3	S962 F966 L967 V968	S962-S964 VanDerWaalsContact C-N 3.34Å; S962-S964 PolarHBondContact O-N 2.95Å; S964-F966 PolarHBondContact O-N 3.43Å; S964-L967 PolarHBondContact O-N 2.9Å; S964-V968 WeakPolarHBondContact O-CG2 3.5Å; S964-V968 PolarHBondContact O-N 3.41Å
965	L	50.8	Low	62	Low	114 Å²	114	69.9 Å²	69.9	60%	0.597	37%	0.366	S	S	*	.	H	α-helix	trans	-65.7	-20.2	-179.7	-74.3	170.3	0	0	0	114.5	G963	G963-L965 PolarHBondContact O-N 2.89Å
966	F	62.4	Low	62.7	Low	25 Å²	25	68.9 Å²	68.9	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-82	-47.8	171.6	179	-82.5	0	0	0	110.4	L957 F958 G963 S964 V968 K969 V970 Q1004 A1008	L957-F966 HydrophobicContact CD1-CD1 4.01Å; L957-F966 HydrophobicContact CD1-CE1 3.23Å; L957-F966 HydrophobicContact CD1-CE2 4.45Å; L957-F966 HydrophobicContact CD1-CZ 3.51Å; F958-F966 HydrophobicContact CE2-CB 3.7Å; F958-F966 AromaticContact CE2-CD1 3.56Å; F958-F966 HydrophobicContact CE2-CD1 3.56Å; F958-F966 HydrophobicContact CE2-CE1 4.3Å; F958-F966 AromaticContact CE2-CG 3.69Å; F958-F966 HydrophobicContact CE2-CG 3.69Å; F958-F966 HydrophobicContact CZ-CB 3.45Å; F958-F966 VanDerWaalsContact CZ-CB 3.45Å; F958-F966 AromaticContact CZ-CD1 3.94Å; F958-F966 HydrophobicContact CZ-CD1 3.94Å; F958-F966 HydrophobicContact CZ-CD2 4.09Å; F958-F966 AromaticContact CZ-CG 3.57Å; F958-F966 HydrophobicContact CZ-CG 3.57Å; G963-F966 WeakPolarHBondContact O-CB 3.28Å; G963-F966 PolarHBondContact O-N 2.92Å; G963-F966 VanDerWaalsContact O-N 3.09Å; S964-F966 PolarHBondContact O-N 3.43Å; F966-V968 VanDerWaalsContact C-N 3.31Å; F966-V968 PolarHBondContact O-N 3.22Å; F966-K969 PolarHBondContact O-N 3.19Å; F966-K969 VanDerWaalsContact O-N 3.09Å; F966-V970 HydrophobicContact CD1-CG2 3.81Å; F966-V970 HydrophobicContact CE1-CG2 3.4Å; F966-V970 HydrophobicContact CZ-CG2 3.83Å; F966-V970 PolarHBondContact O-N 2.84Å; F966-Q1004 HydrophobicContact CE2-CB 3.79Å; F966-Q1004 HydrophobicContact CZ-CB 3.72Å; F966-A1008 HydrophobicContact CD2-CB 4.37Å; F966-A1008 HydrophobicContact CE2-CB 4.12Å
967	L	65.1	Low	63.6	Low	29 Å²	29	68.8 Å²	68.8	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-63.7	-34.1	-177.1	-66.9	169.4	0	0	0	112.6	L953 K954 G963 S964 S971	L953-L967 HydrophobicContact CB-CD2 3.64Å; K954-L967 HydrophobicContact CB-CD1 3.81Å; K954-L967 HydrophobicContact CG-CD1 4Å; G963-L967 WeakPolarHBondContact O-CG 3.48Å; G963-L967 PolarHBondContact O-N 3.48Å; S964-L967 PolarHBondContact O-N 2.9Å; L967-S971 WeakPolarHBondContact O-CB 3.45Å; L967-S971 PolarHBondContact O-N 2.88Å
968	V	63.9	Low	64.6	Low	66 Å²	66	67.2 Å²	67.2	40%	0.4	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-50.7	170.1	171.3	0	0	0	0	110.9	S964 F966 V970 S971 D972	S964-V968 WeakPolarHBondContact O-CG2 3.5Å; S964-V968 PolarHBondContact O-N 3.41Å; F966-V968 VanDerWaalsContact C-N 3.31Å; F966-V968 PolarHBondContact O-N 3.22Å; V968-V970 PolarHBondContact O-N 3.25Å; V968-S971 WeakPolarHBondContact O-CA 3.46Å; V968-S971 VanDerWaalsContact O-CB 3.25Å; V968-S971 WeakPolarHBondContact O-CB 3.32Å; V968-S971 PolarHBondContact O-N 3Å; V968-S971 VanDerWaalsContact O-N 3.11Å; V968-D972 PolarHBondContact O-N 3.48Å
969	K	67.2	Low	65.6	Low	128 Å²	128	69.6 Å²	69.6	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-63.3	-40.6	-179.4	-68.9	-173.7	177.1	-161.4	0	113.1	F966 D972 E973	F966-K969 PolarHBondContact O-N 3.19Å; F966-K969 VanDerWaalsContact O-N 3.09Å; K969-D972 PolarHBondContact O-N 3.11Å; K969-E973 PolarHBondContact O-N 3.41Å; K969-E973 VanDerWaalsContact O-N 3.16Å
970	V	70.4	Confident	66.8	Low	2 Å²	2	65.5 Å²	65.5	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-68	-38	174.4	-174	0	0	0	0	110.8	L953 F966 V968 D972 E973 L974 L1000 Q1004	L953-V970 HydrophobicContact CD1-CB 4.4Å; L953-V970 HydrophobicContact CD1-CG1 3.65Å; F966-V970 HydrophobicContact CD1-CG2 3.81Å; F966-V970 HydrophobicContact CE1-CG2 3.4Å; F966-V970 HydrophobicContact CZ-CG2 3.83Å; F966-V970 PolarHBondContact O-N 2.84Å; V968-V970 PolarHBondContact O-N 3.25Å; V970-D972 VanDerWaalsContact C-N 3.3Å; V970-D972 PolarHBondContact O-N 3.25Å; V970-E973 PolarHBondContact O-N 3.13Å; V970-L974 WeakPolarHBondContact O-CA 3.47Å; V970-L974 WeakPolarHBondContact O-CB 3.21Å; V970-L974 PolarHBondContact O-N 2.82Å; V970-L1000 HydrophobicContact CG1-CD2 4.02Å; V970-L1000 HydrophobicContact CG1-CG 4.48Å; V970-Q1004 HydrophobicContact CG2-CB 4.25Å; V970-Q1004 HydrophobicContact CG2-CG 4.08Å
971	S	74.3	Confident	68.2	Low	17 Å²	17	59.9 Å²	59.9	12%	0.119	32%	0.323	C	S	.	.	H	α-helix	trans	-55.2	-45.2	173.2	150.2	0	0	0	0	112.3	R946 L967 V968 L974 H975	R946-S971 PolarHBondContact NH2-OG 3.36Å; L967-S971 WeakPolarHBondContact O-CB 3.45Å; L967-S971 PolarHBondContact O-N 2.88Å; V968-S971 WeakPolarHBondContact O-CA 3.46Å; V968-S971 VanDerWaalsContact O-CB 3.25Å; V968-S971 WeakPolarHBondContact O-CB 3.32Å; V968-S971 PolarHBondContact O-N 3Å; V968-S971 VanDerWaalsContact O-N 3.11Å; S971-L974 PolarHBondContact O-N 3.09Å; S971-H975 WeakPolarHBondContact O-CB 3.28Å; S971-H975 PolarHBondContact O-N 3Å
972	D	73.8	Confident	69.5	Low	101 Å²	101	53.2 Å²	53.2	54%	0.54	29%	0.293	S	S	.	.	H	α-helix	trans	-75	-34.2	-173.1	-61.2	-14.5	0	0	0	112	V968 K969 V970 P976	V968-D972 PolarHBondContact O-N 3.48Å; K969-D972 PolarHBondContact O-N 3.11Å; V970-D972 VanDerWaalsContact C-N 3.3Å; V970-D972 PolarHBondContact O-N 3.25Å; D972-P976 WeakPolarHBondContact O-CD 3.25Å
973	E	75.6	Confident	70.7	Confident	87 Å²	87	54.7 Å²	54.7	41%	0.407	29%	0.294	S	S	.	.	H	α-helix	trans	-78	-31.4	171.9	-69.9	178.6	-162	0	0	112.4	K969 V970 L977 L1000 Q1004	K969-E973 PolarHBondContact O-N 3.41Å; K969-E973 VanDerWaalsContact O-N 3.16Å; V970-E973 PolarHBondContact O-N 3.13Å; E973-L977 WeakPolarHBondContact O-CB 3.31Å; E973-L1000 HydrophobicContact CB-CD1 3.68Å; E973-L1000 WeakPolarHBondContact OE2-CD1 3.32Å; E973-Q1004 PolarHBondContact OE1-NE2 3.29Å; E973-Q1004 PolarHBondContact OE2-NE2 2.91Å
974	L	78	Confident	71.8	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-74.5	-36.7	-179.5	178.5	62	0	0	0	113	R946 L949 L950 V970 S971 L977 L978 L997 L1000	R946-L974 HydrophobicContact CG-CD2 4.14Å; L949-L974 HydrophobicContact CB-CD2 3.88Å; L949-L974 HydrophobicContact CD1-CD1 3.87Å; L949-L974 HydrophobicContact CD1-CD2 3.92Å; L949-L974 HydrophobicContact CD1-CG 4.49Å; L950-L974 HydrophobicContact CG-CD2 4.42Å; V970-L974 WeakPolarHBondContact O-CA 3.47Å; V970-L974 WeakPolarHBondContact O-CB 3.21Å; V970-L974 PolarHBondContact O-N 2.82Å; S971-L974 PolarHBondContact O-N 3.09Å; L974-L977 HydrophobicContact CD1-CD2 4.46Å; L974-L977 PolarHBondContact O-N 3.16Å; L974-L978 HydrophobicContact CD1-CD1 3.85Å; L974-L978 HydrophobicContact CD1-CD2 4.2Å; L974-L978 HydrophobicContact CD1-CG 3.73Å; L974-L978 HydrophobicContact CD2-CD1 4.27Å; L974-L978 HydrophobicContact CG-CD1 3.73Å; L974-L978 HydrophobicContact CG-CG 4.05Å; L974-L978 WeakPolarHBondContact O-CB 3.31Å; L974-L978 WeakPolarHBondContact O-CG 3.37Å; L974-L978 PolarHBondContact O-N 3.22Å; L974-L997 HydrophobicContact CD1-CD2 3.49Å; L974-L997 VanDerWaalsContact CD1-CD2 3.49Å; L974-L1000 HydrophobicContact CB-CD2 4.17Å; L974-L1000 HydrophobicContact CD1-CD2 4.3Å
975	H	76.5	Confident	72.5	Confident	73 Å²	73	56.9 Å²	56.9	34%	0.338	30%	0.298	S	S	.	.	H	α-helix	trans	-58.3	-51.7	-176.9	-176.7	31.2	0	0	0	114.6	S971 L977 L978 Y979	S971-H975 WeakPolarHBondContact O-CB 3.28Å; S971-H975 PolarHBondContact O-N 3Å; H975-L977 VanDerWaalsContact C-N 3.34Å; H975-L978 PolarHBondContact O-N 3.42Å; H975-Y979 AromaticContact CE1-CD2 3.65Å; H975-Y979 AromaticContact CE1-CE2 3.41Å; H975-Y979 VanDerWaalsContact CE1-CE2 3.41Å; H975-Y979 WeakPolarHBondContact CE1-CE2 3.29Å; H975-Y979 AromaticContact ND1-CD2 3.63Å; H975-Y979 AromaticContact ND1-CE2 3.75Å; H975-Y979 PolarHBondContact O-N 3.33Å; H975-Y979 VanDerWaalsContact O-N 3.09Å
976	P	79.3	Confident	73.3	Confident	80 Å²	80	52.1 Å²	52.1	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-70	-30.9	176.2	28.6	-35.3	0	0	0	112.6	D972 L978 Y979 A980	D972-P976 WeakPolarHBondContact O-CD 3.25Å; P976-L978 VanDerWaalsContact C-N 3.33Å; P976-Y979 PolarHBondContact O-N 2.9Å; P976-A980 PolarHBondContact O-N 2.76Å
977	L	77.4	Confident	73.7	Confident	35 Å²	35	54.6 Å²	54.6	18%	0.183	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-38.5	176.3	-174.1	161.6	0	0	0	111.3	E973 L974 H975 F981 L993 N996 L997 L1000	E973-L977 WeakPolarHBondContact O-CB 3.31Å; L974-L977 HydrophobicContact CD1-CD2 4.46Å; L974-L977 PolarHBondContact O-N 3.16Å; H975-L977 VanDerWaalsContact C-N 3.34Å; L977-F981 HydrophobicContact CD2-CE2 4.45Å; L977-F981 WeakPolarHBondContact O-CD2 3.31Å; L977-F981 WeakPolarHBondContact O-CE2 3.47Å; L977-L993 HydrophobicContact CD2-CD1 4.02Å; L977-N996 HydrophobicContact CD1-CB 4.02Å; L977-N996 HydrophobicContact CD2-CB 3.94Å; L977-N996 HydrophobicContact CG-CB 4.09Å; L977-L997 HydrophobicContact CD2-CD2 4.44Å; L977-L1000 HydrophobicContact CD1-CB 4.45Å; L977-L1000 HydrophobicContact CD1-CD2 4.23Å
978	L	77.6	Confident	74	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-72.9	-42.8	173.4	-72.1	178.9	0	0	0	112.7	L942 L945 R946 L974 H975 P976 A980 F981 L993	L942-L978 WeakPolarHBondContact CD1-O 3.15Å; L942-L978 HydrophobicContact CD2-CB 4.22Å; L942-L978 HydrophobicContact CD2-CD2 4.42Å; L945-L978 HydrophobicContact CD2-CD2 3.52Å; L945-L978 HydrophobicContact CG-CD1 4.45Å; L945-L978 HydrophobicContact CG-CD2 3.95Å; R946-L978 HydrophobicContact CB-CD1 3.61Å; R946-L978 HydrophobicContact CG-CD1 4.23Å; L974-L978 HydrophobicContact CD1-CD1 3.85Å; L974-L978 HydrophobicContact CD1-CD2 4.2Å; L974-L978 HydrophobicContact CD1-CG 3.73Å; L974-L978 HydrophobicContact CD2-CD1 4.27Å; L974-L978 HydrophobicContact CG-CD1 3.73Å; L974-L978 HydrophobicContact CG-CG 4.05Å; L974-L978 WeakPolarHBondContact O-CB 3.31Å; L974-L978 WeakPolarHBondContact O-CG 3.37Å; L974-L978 PolarHBondContact O-N 3.22Å; H975-L978 PolarHBondContact O-N 3.42Å; P976-L978 VanDerWaalsContact C-N 3.33Å; L978-A980 PolarHBondContact O-N 2.68Å; L978-A980 VanDerWaalsContact O-N 3.16Å; L978-F981 PolarHBondContact O-N 2.97Å; L978-L993 HydrophobicContact CD2-CD1 3.68Å
979	Y	78.6	Confident	74.6	Confident	96 Å²	96	55.1 Å²	55.1	38%	0.376	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-21.2	179.3	-99.3	-116.2	0	0	0	113.7	E939 L942 H975 P976 F981 I982	E939-Y979 PolarHBondContact OE1-OH 3.44Å; L942-Y979 HydrophobicContact CD1-CD2 4.48Å; H975-Y979 AromaticContact CE1-CD2 3.65Å; H975-Y979 AromaticContact CE1-CE2 3.41Å; H975-Y979 VanDerWaalsContact CE1-CE2 3.41Å; H975-Y979 WeakPolarHBondContact CE1-CE2 3.29Å; H975-Y979 AromaticContact ND1-CD2 3.63Å; H975-Y979 AromaticContact ND1-CE2 3.75Å; H975-Y979 PolarHBondContact O-N 3.33Å; H975-Y979 VanDerWaalsContact O-N 3.09Å; P976-Y979 PolarHBondContact O-N 2.9Å; Y979-F981 PolarHBondContact O-N 3.4Å; Y979-I982 HydrophobicContact CD1-CD1 3.45Å; Y979-I982 VanDerWaalsContact CD1-CD1 3.45Å; Y979-I982 HydrophobicContact CD2-CD1 4.45Å; Y979-I982 HydrophobicContact CE1-CD1 3.65Å; Y979-I982 HydrophobicContact CG-CD1 3.89Å
980	A	79.4	Confident	75.2	Confident	70 Å²	70	50.5 Å²	50.5	58%	0.579	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.3	172.3	0	0	0	0	0	114.7	P976 L978	P976-A980 PolarHBondContact O-N 2.76Å; L978-A980 PolarHBondContact O-N 2.68Å; L978-A980 VanDerWaalsContact O-N 3.16Å
981	F	77.3	Confident	75.6	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.018	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	9.8	-178.6	-61.8	-70.9	0	0	0	114.6	L937 L977 L978 Y979 R984 C989 E992 L993	L937-F981 HydrophobicContact CD1-CB 4.01Å; L977-F981 HydrophobicContact CD2-CE2 4.45Å; L977-F981 WeakPolarHBondContact O-CD2 3.31Å; L977-F981 WeakPolarHBondContact O-CE2 3.47Å; L978-F981 PolarHBondContact O-N 2.97Å; Y979-F981 PolarHBondContact O-N 3.4Å; F981-R984 PolarHBondContact O-N 3.22Å; F981-C989 HydrophobicContact CB-CB 4.42Å; F981-C989 HydrophobicContact CD1-CB 3.54Å; F981-C989 HydrophobicContact CE1-CB 4.09Å; F981-C989 HydrophobicContact CG-CB 4.24Å; F981-E992 HydrophobicContact CE1-CB 4Å; F981-E992 HydrophobicContact CE1-CG 3.93Å; F981-E992 HydrophobicContact CZ-CB 4.19Å; F981-E992 HydrophobicContact CZ-CG 3.97Å; F981-L993 HydrophobicContact CD2-CB 4.2Å; F981-L993 HydrophobicContact CD2-CD1 4.04Å; F981-L993 HydrophobicContact CE1-CB 4.49Å; F981-L993 HydrophobicContact CE2-CB 3.86Å; F981-L993 HydrophobicContact CE2-CD1 3.92Å; F981-L993 HydrophobicContact CE2-CG 4.46Å; F981-L993 HydrophobicContact CZ-CB 4.01Å
982	I	76.7	Confident	75.9	Confident	51 Å²	51	58 Å²	58	26%	0.262	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	143.5	170.3	-69.2	176.2	0	0	0	110.4	E939 L942 Y979 R984	E939-I982 HydrophobicContact CG-CD1 4.44Å; L942-I982 HydrophobicContact CD1-CB 4.47Å; L942-I982 HydrophobicContact CD1-CD1 4.11Å; L942-I982 HydrophobicContact CD1-CG1 3.29Å; Y979-I982 HydrophobicContact CD1-CD1 3.45Å; Y979-I982 VanDerWaalsContact CD1-CD1 3.45Å; Y979-I982 HydrophobicContact CD2-CD1 4.45Å; Y979-I982 HydrophobicContact CE1-CD1 3.65Å; Y979-I982 HydrophobicContact CG-CD1 3.89Å; I982-R984 PolarHBondContact O-N 3.3Å
983	D	71.6	Confident	76.2	Confident	118 Å²	118	53.2 Å²	53.2	63%	0.631	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	13.8	177.9	-64.5	-38.1	0	0	0	115.2	F936 L937	F936-D983 VanDerWaalsContact CD1-O 3.27Å; F936-D983 WeakPolarHBondContact CD1-O 3.32Å; L937-D983 PolarHBondContact O-N 3.35Å; L937-D983 VanDerWaalsContact O-N 3.13Å
984	R	75	Confident	76.4	Confident	69 Å²	69	52.7 Å²	52.7	26%	0.26	28%	0.279	S	S	.	.	S	Bend	trans	-97.5	148.4	167.3	-62.6	-175.1	73.4	-165.5	-1	110.6	F936 L937 F981 I982 E988 C989 E992	F936-R984 WeakPolarHBondContact CA-O 3.49Å; L937-R984 PolarHBondContact N-O 2.89Å; L937-R984 VanDerWaalsContact N-O 3.08Å; F981-R984 PolarHBondContact O-N 3.22Å; I982-R984 PolarHBondContact O-N 3.3Å; R984-E988 IonicContact CZ-OE1 2.89Å; R984-E988 VanDerWaalsContact CZ-OE1 3.29Å; R984-E988 IonicContact NE-OE1 2.75Å; R984-E988 PolarHBondContact NE-OE1 3.39Å; R984-E988 IonicContact NH2-OE1 3.25Å; R984-E988 PolarHBondContact NH2-OE1 2.82Å; R984-C989 HydrophobicContact CB-CB 4.18Å; R984-E992 IonicContact CZ-OE2 3.68Å; R984-E992 IonicContact NH1-OE1 3.78Å; R984-E992 IonicContact NH1-OE2 3.92Å; R984-E992 PolarHBondContact NH1-OE2 3.17Å; R984-E992 IonicContact NH2-OE2 3.43Å; R984-E992 PolarHBondContact NH2-OE2 3.48Å
985	S	71.3	Confident	76.7	Confident	26 Å²	26	55.5 Å²	55.5	18%	0.182	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-72.7	138.6	176.5	67.4	0	0	0	0	110.4	S987 E988 C989	S985-S987 VanDerWaalsContact C-N 3.26Å; S985-S987 PolarHBondContact O-N 2.91Å; S985-E988 WeakPolarHBondContact O-CB 3.37Å; S985-E988 PolarHBondContact O-N 3.24Å; S985-E988 WeakPolarHBondContact OG-CB 3.2Å; S985-C989 PolarHBondContact O-N 3.41Å; S985-C989 PolarHBondContact O-SG 2.92Å
986	F	68.4	Low	77	Confident	14 Å²	14	54.9 Å²	54.9	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-39.2	-173.7	-175.5	-114	0	0	0	112.7	M925 W932 C935 L937 E988 C989 W990	M925-F986 HydrophobicContact CB-CZ 4.13Å; M925-F986 HydrophobicContact CE-CD2 4.44Å; M925-F986 HydrophobicContact CE-CE1 4.31Å; M925-F986 HydrophobicContact CE-CE2 3.56Å; M925-F986 HydrophobicContact CE-CZ 3.48Å; M925-F986 VanDerWaalsContact CE-CZ 3.48Å; M925-F986 HydrophobicContact CG-CZ 4.16Å; W932-F986 WeakPolarHBondContact O-CB 3.35Å; C935-F986 PolarHBondContact O-N 3.37Å; L937-F986 HydrophobicContact CD1-CD2 4.42Å; L937-F986 HydrophobicContact CD2-CD2 4.13Å; F986-E988 VanDerWaalsContact C-N 3.29Å; F986-E988 PolarHBondContact O-N 2.84Å; F986-C989 PolarHBondContact O-N 2.75Å; F986-W990 HydrophobicContact CE1-CB 4.37Å; F986-W990 HydrophobicContact CE1-CD2 4.41Å; F986-W990 HydrophobicContact CE1-CG 4.28Å; F986-W990 HydrophobicContact CE2-CB 4.22Å; F986-W990 HydrophobicContact CE2-CD2 4.06Å; F986-W990 AromaticContact CE2-CE3 3.55Å; F986-W990 HydrophobicContact CE2-CE3 3.55Å; F986-W990 HydrophobicContact CE2-CG 4.36Å; F986-W990 HydrophobicContact CE2-CZ3 4.28Å; F986-W990 HydrophobicContact CZ-CB 4.11Å; F986-W990 AromaticContact CZ-CD2 3.62Å; F986-W990 HydrophobicContact CZ-CD2 3.62Å; F986-W990 AromaticContact CZ-CE3 3.49Å; F986-W990 HydrophobicContact CZ-CE3 3.49Å; F986-W990 VanDerWaalsContact CZ-CE3 3.49Å; F986-W990 AromaticContact CZ-CG 3.89Å; F986-W990 HydrophobicContact CZ-CG 3.89Å; F986-W990 HydrophobicContact CZ-CZ3 4.19Å; F986-W990 WeakPolarHBondContact O-CB 3.46Å; F986-W990 PolarHBondContact O-N 2.72Å
987	S	69.7	Low	76.9	Confident	78 Å²	78	51.2 Å²	51.2	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-26.4	177.4	40.4	0	0	0	0	114.2	E933 S985	E933-S987 WeakPolarHBondContact O-CB 3.39Å; E933-S987 PolarHBondContact O-OG 2.8Å; S985-S987 VanDerWaalsContact C-N 3.26Å; S985-S987 PolarHBondContact O-N 2.91Å
988	E	71.8	Confident	77.1	Confident	106 Å²	106	52.5 Å²	52.5	50%	0.495	28%	0.279	S	S	.	.	H	α-helix	trans	-83.2	-43.5	175.6	-174.4	-158.2	138.7	0	0	111.9	R984 S985 F986	R984-E988 IonicContact CZ-OE1 2.89Å; R984-E988 VanDerWaalsContact CZ-OE1 3.29Å; R984-E988 IonicContact NE-OE1 2.75Å; R984-E988 PolarHBondContact NE-OE1 3.39Å; R984-E988 IonicContact NH2-OE1 3.25Å; R984-E988 PolarHBondContact NH2-OE1 2.82Å; S985-E988 WeakPolarHBondContact O-CB 3.37Å; S985-E988 PolarHBondContact O-N 3.24Å; S985-E988 WeakPolarHBondContact OG-CB 3.2Å; F986-E988 VanDerWaalsContact C-N 3.29Å; F986-E988 PolarHBondContact O-N 2.84Å
989	C	76.3	Confident	77.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-85.9	-22.8	-175.2	66.5	0	0	0	0	114.3	L937 F981 R984 S985 F986 P991 E992 L993	L937-C989 WeakPolarHBondContact CD1-SG 3.49Å; F981-C989 HydrophobicContact CB-CB 4.42Å; F981-C989 HydrophobicContact CD1-CB 3.54Å; F981-C989 HydrophobicContact CE1-CB 4.09Å; F981-C989 HydrophobicContact CG-CB 4.24Å; R984-C989 HydrophobicContact CB-CB 4.18Å; S985-C989 PolarHBondContact O-N 3.41Å; S985-C989 PolarHBondContact O-SG 2.92Å; F986-C989 PolarHBondContact O-N 2.75Å; C989-P991 VanDerWaalsContact C-CD 3.48Å; C989-E992 PolarHBondContact O-N 2.62Å; C989-L993 VanDerWaalsContact O-CB 3.32Å; C989-L993 WeakPolarHBondContact O-CB 3.4Å; C989-L993 PolarHBondContact O-N 3.42Å
990	W	79.5	Confident	77.4	Confident	31 Å²	31	52 Å²	52	12%	0.117	29%	0.285	C	S	.	.	H	α-helix	trans	-53.2	-42.5	-174.3	-178.4	-126.5	0	0	0	114.6	V921 M925 F986 E992 L993 R994 L997	V921-W990 HydrophobicContact CG1-CH2 3.85Å; M925-W990 HydrophobicContact CG-CH2 4.02Å; M925-W990 HydrophobicContact CG-CZ2 4.44Å; M925-W990 HydrophobicContact CG-CZ3 4.25Å; F986-W990 HydrophobicContact CE1-CB 4.37Å; F986-W990 HydrophobicContact CE1-CD2 4.41Å; F986-W990 HydrophobicContact CE1-CG 4.28Å; F986-W990 HydrophobicContact CE2-CB 4.22Å; F986-W990 HydrophobicContact CE2-CD2 4.06Å; F986-W990 AromaticContact CE2-CE3 3.55Å; F986-W990 HydrophobicContact CE2-CE3 3.55Å; F986-W990 HydrophobicContact CE2-CG 4.36Å; F986-W990 HydrophobicContact CE2-CZ3 4.28Å; F986-W990 HydrophobicContact CZ-CB 4.11Å; F986-W990 AromaticContact CZ-CD2 3.62Å; F986-W990 HydrophobicContact CZ-CD2 3.62Å; F986-W990 AromaticContact CZ-CE3 3.49Å; F986-W990 HydrophobicContact CZ-CE3 3.49Å; F986-W990 VanDerWaalsContact CZ-CE3 3.49Å; F986-W990 AromaticContact CZ-CG 3.89Å; F986-W990 HydrophobicContact CZ-CG 3.89Å; F986-W990 HydrophobicContact CZ-CZ3 4.19Å; F986-W990 WeakPolarHBondContact O-CB 3.46Å; F986-W990 PolarHBondContact O-N 2.72Å; W990-E992 PolarHBondContact O-N 2.9Å; W990-L993 HydrophobicContact CE3-CD2 3.84Å; W990-L993 HydrophobicContact CE3-CG 4.17Å; W990-L993 HydrophobicContact CZ3-CD2 3.99Å; W990-L993 HydrophobicContact CZ3-CG 4.19Å; W990-R994 WeakPolarHBondContact O-CB 3.47Å; W990-R994 PolarHBondContact O-N 3.34Å; W990-L997 HydrophobicContact CZ3-CD1 4.5Å
991	P	80	Confident	77.1	Confident	86 Å²	86	49 Å²	49	56%	0.558	26%	0.259	S	S	*	.	H	α-helix	trans	-64.5	-36.8	177.4	-21.6	34.4	0	0	0	113.6	C989 S995	C989-P991 VanDerWaalsContact C-CD 3.48Å; P991-S995 WeakPolarHBondContact O-CB 3.4Å; P991-S995 PolarHBondContact O-N 2.66Å; P991-S995 VanDerWaalsContact O-N 3.13Å
992	E	81	Confident	77.1	Confident	91 Å²	91	52.3 Å²	52.3	43%	0.425	28%	0.276	S	S	.	.	H	α-helix	trans	-75.4	-46.8	-179	-167.7	-178.5	171.8	0	0	110.8	F981 R984 C989 W990 R994 S995 N996	F981-E992 HydrophobicContact CE1-CB 4Å; F981-E992 HydrophobicContact CE1-CG 3.93Å; F981-E992 HydrophobicContact CZ-CB 4.19Å; F981-E992 HydrophobicContact CZ-CG 3.97Å; R984-E992 IonicContact CZ-OE2 3.68Å; R984-E992 IonicContact NH1-OE1 3.78Å; R984-E992 IonicContact NH1-OE2 3.92Å; R984-E992 PolarHBondContact NH1-OE2 3.17Å; R984-E992 IonicContact NH2-OE2 3.43Å; R984-E992 PolarHBondContact NH2-OE2 3.48Å; C989-E992 PolarHBondContact O-N 2.62Å; W990-E992 PolarHBondContact O-N 2.9Å; E992-R994 PolarHBondContact O-N 3.34Å; E992-S995 WeakPolarHBondContact O-CB 3.39Å; E992-S995 PolarHBondContact O-N 3.22Å; E992-N996 VanDerWaalsContact O-CG 3.28Å; E992-N996 PolarHBondContact O-N 3.41Å; E992-N996 PolarHBondContact O-ND2 2.9Å
993	L	78.5	Confident	77.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.7	-47.3	172	170	57.4	0	0	0	111.5	L945 L977 L978 F981 C989 W990 S995 N996 L997	L945-L993 HydrophobicContact CD2-CD2 3.83Å; L977-L993 HydrophobicContact CD2-CD1 4.02Å; L978-L993 HydrophobicContact CD2-CD1 3.68Å; F981-L993 HydrophobicContact CD2-CB 4.2Å; F981-L993 HydrophobicContact CD2-CD1 4.04Å; F981-L993 HydrophobicContact CE1-CB 4.49Å; F981-L993 HydrophobicContact CE2-CB 3.86Å; F981-L993 HydrophobicContact CE2-CD1 3.92Å; F981-L993 HydrophobicContact CE2-CG 4.46Å; F981-L993 HydrophobicContact CZ-CB 4.01Å; C989-L993 VanDerWaalsContact O-CB 3.32Å; C989-L993 WeakPolarHBondContact O-CB 3.4Å; C989-L993 PolarHBondContact O-N 3.42Å; W990-L993 HydrophobicContact CE3-CD2 3.84Å; W990-L993 HydrophobicContact CE3-CG 4.17Å; W990-L993 HydrophobicContact CZ3-CD2 3.99Å; W990-L993 HydrophobicContact CZ3-CG 4.19Å; L993-S995 PolarHBondContact O-N 2.77Å; L993-N996 PolarHBondContact O-N 3.25Å; L993-L997 HydrophobicContact CD1-CD1 3.84Å; L993-L997 HydrophobicContact CD1-CG 3.99Å; L993-L997 HydrophobicContact CG-CD1 4.03Å; L993-L997 WeakPolarHBondContact O-CB 3.43Å; L993-L997 VanDerWaalsContact O-CG 3.28Å; L993-L997 WeakPolarHBondContact O-CG 3.27Å; L993-L997 PolarHBondContact O-N 3.44Å
994	R	81.1	Confident	77	Confident	76 Å²	76	53.2 Å²	53.2	29%	0.287	27%	0.269	S	S	.	.	H	α-helix	trans	-57.4	-48.4	175.2	178.8	-169.2	178.8	119.1	16.1	112	I918 D922 W990 E992 N996 L997 E998	I918-R994 HydrophobicContact CG2-CG 4.26Å; I918-R994 VanDerWaalsContact CG2-NH2 3.32Å; D922-R994 IonicContact OD2-CZ 2.98Å; D922-R994 IonicContact OD2-NH1 3.72Å; D922-R994 PolarHBondContact OD2-NH1 2.88Å; W990-R994 WeakPolarHBondContact O-CB 3.47Å; W990-R994 PolarHBondContact O-N 3.34Å; E992-R994 PolarHBondContact O-N 3.34Å; R994-N996 VanDerWaalsContact C-N 3.3Å; R994-N996 PolarHBondContact O-N 2.92Å; R994-L997 PolarHBondContact O-N 3.31Å; R994-E998 HydrophobicContact CG-CG 4.47Å; R994-E998 IonicContact CZ-OE1 2.97Å; R994-E998 IonicContact NE-OE1 3.02Å; R994-E998 PolarHBondContact NE-OE1 3.32Å; R994-E998 IonicContact NH2-OE1 2.72Å; R994-E998 PolarHBondContact NH2-OE1 3.06Å; R994-E998 WeakPolarHBondContact O-CB 3.23Å; R994-E998 WeakPolarHBondContact O-CG 3.45Å; R994-E998 PolarHBondContact O-N 3.24Å
995	S	83.2	Confident	76.6	Confident	60 Å²	60	50.3 Å²	50.3	42%	0.42	26%	0.258	S	S	.	.	H	α-helix	trans	-59.4	-41.1	177.9	-179.8	0	0	0	0	112.1	P991 E992 L993 T999	P991-S995 WeakPolarHBondContact O-CB 3.4Å; P991-S995 PolarHBondContact O-N 2.66Å; P991-S995 VanDerWaalsContact O-N 3.13Å; E992-S995 WeakPolarHBondContact O-CB 3.39Å; E992-S995 PolarHBondContact O-N 3.22Å; L993-S995 PolarHBondContact O-N 2.77Å; S995-T999 WeakPolarHBondContact O-CB 3.31Å; S995-T999 PolarHBondContact O-N 2.9Å; S995-T999 PolarHBondContact O-OG1 3.06Å
996	N	82.8	Confident	76.5	Confident	60 Å²	60	51.1 Å²	51.1	32%	0.321	26%	0.26	S	S	.	.	H	α-helix	trans	-68.9	-38.9	177.5	-69.1	-17.6	0	0	0	111.8	L977 E992 L993 R994 T999 L1000	L977-N996 HydrophobicContact CD1-CB 4.02Å; L977-N996 HydrophobicContact CD2-CB 3.94Å; L977-N996 HydrophobicContact CG-CB 4.09Å; E992-N996 VanDerWaalsContact O-CG 3.28Å; E992-N996 PolarHBondContact O-N 3.41Å; E992-N996 PolarHBondContact O-ND2 2.9Å; L993-N996 PolarHBondContact O-N 3.25Å; R994-N996 VanDerWaalsContact C-N 3.3Å; R994-N996 PolarHBondContact O-N 2.92Å; N996-T999 PolarHBondContact O-N 2.83Å; N996-L1000 WeakPolarHBondContact O-CB 3.38Å; N996-L1000 PolarHBondContact O-N 3.27Å
997	L	78.4	Confident	76.4	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-49.2	173.1	-70.3	170.8	0	0	0	111.9	I918 L949 L974 L977 W990 L993 R994 T999 L1000 L1001	I918-L997 HydrophobicContact CD1-CB 4.02Å; L949-L997 HydrophobicContact CD1-CD1 4.11Å; L949-L997 HydrophobicContact CD1-CD2 3.7Å; L949-L997 HydrophobicContact CD2-CD1 4.25Å; L949-L997 HydrophobicContact CD2-CD2 4.24Å; L974-L997 HydrophobicContact CD1-CD2 3.49Å; L974-L997 VanDerWaalsContact CD1-CD2 3.49Å; L977-L997 HydrophobicContact CD2-CD2 4.44Å; W990-L997 HydrophobicContact CZ3-CD1 4.5Å; L993-L997 HydrophobicContact CD1-CD1 3.84Å; L993-L997 HydrophobicContact CD1-CG 3.99Å; L993-L997 HydrophobicContact CG-CD1 4.03Å; L993-L997 WeakPolarHBondContact O-CB 3.43Å; L993-L997 VanDerWaalsContact O-CG 3.28Å; L993-L997 WeakPolarHBondContact O-CG 3.27Å; L993-L997 PolarHBondContact O-N 3.44Å; R994-L997 PolarHBondContact O-N 3.31Å; L997-T999 VanDerWaalsContact C-N 3.26Å; L997-T999 PolarHBondContact O-N 3.08Å; L997-L1000 PolarHBondContact O-N 3.03Å; L997-L1001 WeakPolarHBondContact O-CB 3.37Å; L997-L1001 VanDerWaalsContact O-CG 3.24Å; L997-L1001 WeakPolarHBondContact O-CG 3.28Å; L997-L1001 PolarHBondContact O-N 3.02Å
998	E	81.3	Confident	75.9	Confident	62 Å²	62	52.8 Å²	52.8	29%	0.29	27%	0.273	S	S	.	.	H	α-helix	trans	-54.1	-44.3	174.9	-79.4	175.1	-168.6	0	0	110.9	T914 I918 R994 I1002	T914-E998 HydrophobicContact CG2-CG 4.46Å; I918-E998 HydrophobicContact CD1-CG 3.89Å; I918-E998 HydrophobicContact CG1-CG 3.73Å; I918-E998 HydrophobicContact CG2-CG 4.41Å; R994-E998 HydrophobicContact CG-CG 4.47Å; R994-E998 IonicContact CZ-OE1 2.97Å; R994-E998 IonicContact NE-OE1 3.02Å; R994-E998 PolarHBondContact NE-OE1 3.32Å; R994-E998 IonicContact NH2-OE1 2.72Å; R994-E998 PolarHBondContact NH2-OE1 3.06Å; R994-E998 WeakPolarHBondContact O-CB 3.23Å; R994-E998 WeakPolarHBondContact O-CG 3.45Å; R994-E998 PolarHBondContact O-N 3.24Å; E998-I1002 WeakPolarHBondContact O-CB 3.2Å; E998-I1002 WeakPolarHBondContact O-CD1 3.48Å; E998-I1002 VanDerWaalsContact O-CG1 3.23Å; E998-I1002 WeakPolarHBondContact O-CG1 3.32Å; E998-I1002 PolarHBondContact O-N 3.18Å
999	T	82.5	Confident	75.2	Confident	74 Å²	74	52 Å²	52	45%	0.454	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-44.2	177.3	-59	0	0	0	0	112.8	S995 N996 L997 R1003	S995-T999 WeakPolarHBondContact O-CB 3.31Å; S995-T999 PolarHBondContact O-N 2.9Å; S995-T999 PolarHBondContact O-OG1 3.06Å; N996-T999 PolarHBondContact O-N 2.83Å; L997-T999 VanDerWaalsContact C-N 3.26Å; L997-T999 PolarHBondContact O-N 3.08Å; T999-R1003 VanDerWaalsContact O-CG 3.28Å; T999-R1003 WeakPolarHBondContact O-CG 3.32Å; T999-R1003 PolarHBondContact O-N 3.1Å; T999-R1003 VanDerWaalsContact O-N 3.17Å
1000	L	80.5	Confident	74.2	Confident	13 Å²	13	60 Å²	60	7%	0.068	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-49.2	176.8	178.8	65.6	0	0	0	111	V970 E973 L974 L977 N996 L997 R1003 Q1004	V970-L1000 HydrophobicContact CG1-CD2 4.02Å; V970-L1000 HydrophobicContact CG1-CG 4.48Å; E973-L1000 HydrophobicContact CB-CD1 3.68Å; E973-L1000 WeakPolarHBondContact OE2-CD1 3.32Å; L974-L1000 HydrophobicContact CB-CD2 4.17Å; L974-L1000 HydrophobicContact CD1-CD2 4.3Å; L977-L1000 HydrophobicContact CD1-CB 4.45Å; L977-L1000 HydrophobicContact CD1-CD2 4.23Å; N996-L1000 WeakPolarHBondContact O-CB 3.38Å; N996-L1000 PolarHBondContact O-N 3.27Å; L997-L1000 PolarHBondContact O-N 3.03Å; L1000-R1003 PolarHBondContact O-N 3.46Å; L1000-Q1004 HydrophobicContact CD1-CG 4.37Å; L1000-Q1004 WeakPolarHBondContact O-CG 3.26Å; L1000-Q1004 PolarHBondContact O-N 2.72Å; L1000-Q1004 VanDerWaalsContact O-N 3.09Å
1001	L	73.4	Confident	72.4	Confident	6 Å²	6	66.1 Å²	66.1	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-46.2	-178.9	-68.3	-177.9	0	0	0	112.2	T914 I917 I918 L953 L997 R1003 Q1004 L1005	T914-L1001 HydrophobicContact CG2-CB 4.03Å; T914-L1001 HydrophobicContact CG2-CD1 4.28Å; I917-L1001 HydrophobicContact CB-CD1 4.26Å; I917-L1001 HydrophobicContact CG2-CD1 3.63Å; I918-L1001 HydrophobicContact CD1-CD1 3.94Å; I918-L1001 HydrophobicContact CG1-CD1 4.09Å; L953-L1001 HydrophobicContact CD1-CD2 3.98Å; L953-L1001 HydrophobicContact CD2-CD2 3.36Å; L953-L1001 HydrophobicContact CG-CD2 4.2Å; L997-L1001 WeakPolarHBondContact O-CB 3.37Å; L997-L1001 VanDerWaalsContact O-CG 3.24Å; L997-L1001 WeakPolarHBondContact O-CG 3.28Å; L997-L1001 PolarHBondContact O-N 3.02Å; L1001-R1003 PolarHBondContact O-N 2.91Å; L1001-Q1004 PolarHBondContact O-N 3.12Å; L1001-L1005 VanDerWaalsContact O-CB 3.26Å; L1001-L1005 WeakPolarHBondContact O-CB 3.41Å; L1001-L1005 PolarHBondContact O-N 2.9Å
1002	I	76	Confident	70	Confident	74 Å²	74	66.6 Å²	66.6	38%	0.379	33%	0.333	S	S	.	.	H	α-helix	trans	-60.3	-46	178.2	-70.2	165.3	0	0	0	110.9	V910 T914 E998 Q1004 D1006	V910-I1002 HydrophobicContact CG1-CG1 4.46Å; V910-I1002 HydrophobicContact CG1-CG2 4.39Å; T914-I1002 HydrophobicContact CG2-CG1 4.08Å; E998-I1002 WeakPolarHBondContact O-CB 3.2Å; E998-I1002 WeakPolarHBondContact O-CD1 3.48Å; E998-I1002 VanDerWaalsContact O-CG1 3.23Å; E998-I1002 WeakPolarHBondContact O-CG1 3.32Å; E998-I1002 PolarHBondContact O-N 3.18Å; I1002-Q1004 VanDerWaalsContact C-N 3.34Å; I1002-Q1004 PolarHBondContact O-N 2.99Å; I1002-D1006 WeakPolarHBondContact O-CB 3.34Å; I1002-D1006 PolarHBondContact O-N 2.94Å
1003	R	76.7	Confident	67.8	Low	168 Å²	168	70.3 Å²	70.3	63%	0.634	36%	0.355	S	S	*	.	H	α-helix	trans	-61	-41.9	179.4	-71.8	170.4	66.5	97.5	1.6	112.2	T999 L1000 L1001 T1007	T999-R1003 VanDerWaalsContact O-CG 3.28Å; T999-R1003 WeakPolarHBondContact O-CG 3.32Å; T999-R1003 PolarHBondContact O-N 3.1Å; T999-R1003 VanDerWaalsContact O-N 3.17Å; L1000-R1003 PolarHBondContact O-N 3.46Å; L1001-R1003 PolarHBondContact O-N 2.91Å; R1003-T1007 VanDerWaalsContact O-CB 3.3Å; R1003-T1007 WeakPolarHBondContact O-CB 3.1Å; R1003-T1007 PolarHBondContact O-N 2.82Å; R1003-T1007 VanDerWaalsContact O-N 3.08Å; R1003-T1007 PolarHBondContact O-OG1 2.78Å
1004	Q	70.1	Confident	65.5	Low	20 Å²	20	75.4 Å²	75.4	9%	0.093	38%	0.382	C	S	.	.	H	α-helix	trans	-78.5	-37.7	-176.9	-64.7	-70.1	-6.4	0	0	111.7	F966 V970 E973 L1000 L1001 I1002 T1007 A1008	F966-Q1004 HydrophobicContact CE2-CB 3.79Å; F966-Q1004 HydrophobicContact CZ-CB 3.72Å; V970-Q1004 HydrophobicContact CG2-CB 4.25Å; V970-Q1004 HydrophobicContact CG2-CG 4.08Å; E973-Q1004 PolarHBondContact OE1-NE2 3.29Å; E973-Q1004 PolarHBondContact OE2-NE2 2.91Å; L1000-Q1004 HydrophobicContact CD1-CG 4.37Å; L1000-Q1004 WeakPolarHBondContact O-CG 3.26Å; L1000-Q1004 PolarHBondContact O-N 2.72Å; L1000-Q1004 VanDerWaalsContact O-N 3.09Å; L1001-Q1004 PolarHBondContact O-N 3.12Å; I1002-Q1004 VanDerWaalsContact C-N 3.34Å; I1002-Q1004 PolarHBondContact O-N 2.99Å; Q1004-T1007 PolarHBondContact O-N 3.37Å; Q1004-A1008 WeakPolarHBondContact O-CB 3.47Å; Q1004-A1008 PolarHBondContact O-N 2.95Å
1005	L	66.2	Low	63.2	Low	8 Å²	8	76.6 Å²	76.6	4%	0.042	40%	0.402	C	S	.	.	H	α-helix	trans	-62.2	-46.9	172.2	-89	167	0	0	0	112.7	V910 K913 T914 L957 L1001 T1007 A1008 L1009	V910-L1005 HydrophobicContact CG1-CB 3.98Å; V910-L1005 HydrophobicContact CG1-CD1 4.31Å; V910-L1005 HydrophobicContact CG2-CB 4.3Å; K913-L1005 HydrophobicContact CB-CD1 4.38Å; T914-L1005 VanDerWaalsContact OG1-CD1 3.3Å; T914-L1005 WeakPolarHBondContact OG1-CD1 3.16Å; L957-L1005 HydrophobicContact CD2-CD2 3.55Å; L957-L1005 HydrophobicContact CD2-CG 4.41Å; L1001-L1005 VanDerWaalsContact O-CB 3.26Å; L1001-L1005 WeakPolarHBondContact O-CB 3.41Å; L1001-L1005 PolarHBondContact O-N 2.9Å; L1005-T1007 VanDerWaalsContact C-N 3.31Å; L1005-T1007 PolarHBondContact O-N 2.78Å; L1005-A1008 PolarHBondContact O-N 3.44Å; L1005-L1009 HydrophobicContact CD2-CD1 4.39Å; L1005-L1009 WeakPolarHBondContact O-CB 3.5Å; L1005-L1009 PolarHBondContact O-N 3.13Å
1006	D	68.6	Low	60.7	Low	43 Å²	43	78.3 Å²	78.3	23%	0.23	41%	0.414	C	S	.	.	H	α-helix	trans	-61.1	-41.1	175.3	-174	63.9	0	0	0	111	I1002 A1008 L1009 R1010	I1002-D1006 WeakPolarHBondContact O-CB 3.34Å; I1002-D1006 PolarHBondContact O-N 2.94Å; D1006-A1008 VanDerWaalsContact C-N 3.34Å; D1006-A1008 PolarHBondContact O-N 2.95Å; D1006-L1009 PolarHBondContact O-N 3.03Å; D1006-R1010 VanDerWaalsContact CG-CZ 3.45Å; D1006-R1010 VanDerWaalsContact CG-NH2 3.26Å; D1006-R1010 VanDerWaalsContact O-CB 3.31Å; D1006-R1010 WeakPolarHBondContact O-CB 3.46Å; D1006-R1010 VanDerWaalsContact O-CG 3.26Å; D1006-R1010 WeakPolarHBondContact O-CG 3.27Å; D1006-R1010 PolarHBondContact O-N 3.08Å; D1006-R1010 IonicContact OD1-CZ 2.67Å; D1006-R1010 IonicContact OD1-NE 3.08Å; D1006-R1010 PolarHBondContact OD1-NE 3.39Å; D1006-R1010 IonicContact OD1-NH2 2.62Å; D1006-R1010 PolarHBondContact OD1-NH2 3.36Å; D1006-R1010 IonicContact OD2-CZ 2.71Å; D1006-R1010 IonicContact OD2-NE 3.86Å; D1006-R1010 PolarHBondContact OD2-NE 3.3Å; D1006-R1010 IonicContact OD2-NH1 2.73Å; D1006-R1010 IonicContact OD2-NH2 3.67Å; D1006-R1010 PolarHBondContact OD2-NH2 3.11Å
1007	T	67.8	Low	58.3	Low	80 Å²	80	78 Å²	78	49%	0.491	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-35.5	173.9	-59.1	0	0	0	0	113.1	R1003 Q1004 L1005	R1003-T1007 VanDerWaalsContact O-CB 3.3Å; R1003-T1007 WeakPolarHBondContact O-CB 3.1Å; R1003-T1007 PolarHBondContact O-N 2.82Å; R1003-T1007 VanDerWaalsContact O-N 3.08Å; R1003-T1007 PolarHBondContact O-OG1 2.78Å; Q1004-T1007 PolarHBondContact O-N 3.37Å; L1005-T1007 VanDerWaalsContact C-N 3.31Å; L1005-T1007 PolarHBondContact O-N 2.78Å
1008	A	59	Low	56.1	Low	47 Å²	47	82.1 Å²	82.1	39%	0.388	44%	0.442	S	S	.	.	H	α-helix	trans	-73.7	-43.1	177.3	0	0	0	0	0	112.1	F966 Q1004 L1005 D1006	F966-A1008 HydrophobicContact CD2-CB 4.37Å; F966-A1008 HydrophobicContact CE2-CB 4.12Å; Q1004-A1008 WeakPolarHBondContact O-CB 3.47Å; Q1004-A1008 PolarHBondContact O-N 2.95Å; L1005-A1008 PolarHBondContact O-N 3.44Å; D1006-A1008 VanDerWaalsContact C-N 3.34Å; D1006-A1008 PolarHBondContact O-N 2.95Å
1009	L	56.8	Low	53.6	Low	91 Å²	91	86 Å²	86	48%	0.476	46%	0.46	S	S	.	.	H	α-helix	trans	-82	-19.1	-174.6	-72.9	162.5	0	0	0	114.1	V906 V910 L1005 D1006 K1011	V906-L1009 HydrophobicContact CG1-CB 4.22Å; V910-L1009 HydrophobicContact CG2-CD1 3.52Å; L1005-L1009 HydrophobicContact CD2-CD1 4.39Å; L1005-L1009 WeakPolarHBondContact O-CB 3.5Å; L1005-L1009 PolarHBondContact O-N 3.13Å; D1006-L1009 PolarHBondContact O-N 3.03Å; L1009-K1011 VanDerWaalsContact C-N 3.31Å; L1009-K1011 PolarHBondContact O-N 3.04Å
1010	R	55	Low	51.1	Low	166 Å²	166	84.7 Å²	84.7	63%	0.626	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.9	174.3	-74.9	-177.2	-168.8	-166.5	11.7	115	D1006 P1012	D1006-R1010 VanDerWaalsContact CG-CZ 3.45Å; D1006-R1010 VanDerWaalsContact CG-NH2 3.26Å; D1006-R1010 VanDerWaalsContact O-CB 3.31Å; D1006-R1010 WeakPolarHBondContact O-CB 3.46Å; D1006-R1010 VanDerWaalsContact O-CG 3.26Å; D1006-R1010 WeakPolarHBondContact O-CG 3.27Å; D1006-R1010 PolarHBondContact O-N 3.08Å; D1006-R1010 IonicContact OD1-CZ 2.67Å; D1006-R1010 IonicContact OD1-NE 3.08Å; D1006-R1010 PolarHBondContact OD1-NE 3.39Å; D1006-R1010 IonicContact OD1-NH2 2.62Å; D1006-R1010 PolarHBondContact OD1-NH2 3.36Å; D1006-R1010 IonicContact OD2-CZ 2.71Å; D1006-R1010 IonicContact OD2-NE 3.86Å; D1006-R1010 PolarHBondContact OD2-NE 3.3Å; D1006-R1010 IonicContact OD2-NH1 2.73Å; D1006-R1010 IonicContact OD2-NH2 3.67Å; D1006-R1010 PolarHBondContact OD2-NH2 3.11Å; R1010-P1012 WeakPolarHBondContact O-CD 3.17Å
1011	K	41.7	Very low	48.7	Very low	160 Å²	160	89.6 Å²	89.6	70%	0.696	48%	0.482	S	S	*	.			trans	-82	116	175.9	-76.9	-173	173.2	-173.3	0	111.1	L1009	L1009-K1011 VanDerWaalsContact C-N 3.31Å; L1009-K1011 PolarHBondContact O-N 3.04Å
1012	P	30.5	Very low	46.7	Very low	97 Å²	97	94.5 Å²	94.5	63%	0.63	51%	0.512	S	S	*	.			trans	-66.4	141.2	167.3	29.7	-33.8	0	0	0	110	R1010 D1014	R1010-P1012 WeakPolarHBondContact O-CD 3.17Å; P1012-D1014 VanDerWaalsContact C-N 3.27Å; P1012-D1014 PolarHBondContact O-N 2.95Å
1013	L	33.6	Very low	44.6	Very low	168 Å²	168	98.9 Å²	98.9	88%	0.88	53%	0.529	S	S	*	.			trans	-81.5	75	175.7	-134.6	81.1	0	0	0	109.6	S1015	L1013-S1015 PolarHBondContact O-N 3.25Å
1014	D	30.1	Very low	42.5	Very low	107 Å²	107	95.2 Å²	95.2	57%	0.572	52%	0.521	S	S	*	.			trans	-65	111.5	-177.2	-83.2	-34	0	0	0	111.2	P1012 S1016 S1017	P1012-D1014 VanDerWaalsContact C-N 3.27Å; P1012-D1014 PolarHBondContact O-N 2.95Å; D1014-S1016 PolarHBondContact O-N 2.75Å; D1014-S1017 WeakPolarHBondContact O-CB 3.36Å; D1014-S1017 PolarHBondContact O-N 3.05Å; D1014-S1017 PolarHBondContact O-OG 3.38Å
1015	S	32.9	Very low	40.7	Very low	102 Å²	102	97.4 Å²	97.4	71%	0.713	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.6	-167.6	57	0	0	0	0	116.4	L1013 S1017 V1018	L1013-S1015 PolarHBondContact O-N 3.25Å; S1015-S1017 PolarHBondContact O-N 3.5Å; S1015-V1018 PolarHBondContact O-N 3.42Å
1016	S	31.4	Very low	39	Very low	95 Å²	95	105.8 Å²	105.8	66%	0.664	59%	0.588	S	S	*	*	H	α-helix	trans	-66.6	-22.8	171.8	51.3	0	0	0	0	113.4	D1014 V1018	D1014-S1016 PolarHBondContact O-N 2.75Å; S1016-V1018 PolarHBondContact O-N 3.44Å
1017	S	32.1	Very low	37.2	Very low	55 Å²	55	106 Å²	106	39%	0.385	60%	0.601	S	S	.	*	H	α-helix	trans	-65.4	-24.1	176.1	57.8	0	0	0	0	113.6	D1014 S1015 A1020 L1021	D1014-S1017 WeakPolarHBondContact O-CB 3.36Å; D1014-S1017 PolarHBondContact O-N 3.05Å; D1014-S1017 PolarHBondContact O-OG 3.38Å; S1015-S1017 PolarHBondContact O-N 3.5Å; S1017-A1020 WeakPolarHBondContact O-CB 3.24Å; S1017-A1020 PolarHBondContact O-N 3.38Å; S1017-L1021 WeakPolarHBondContact O-CG 3.37Å; S1017-L1021 PolarHBondContact O-N 2.71Å
1018	V	33.1	Very low	35.6	Very low	88 Å²	88	110.1 Å²	110.1	53%	0.533	62%	0.62	S	S	.	*	H	α-helix	trans	-74.7	-38.2	-176	-175.3	0	0	0	0	112.1	S1015 S1016 A1020 L1021 T1022	S1015-V1018 PolarHBondContact O-N 3.42Å; S1016-V1018 PolarHBondContact O-N 3.44Å; V1018-A1020 VanDerWaalsContact C-N 3.33Å; V1018-L1021 PolarHBondContact O-N 2.98Å; V1018-T1022 PolarHBondContact O-N 3.03Å; V1018-T1022 VanDerWaalsContact O-N 3.16Å
1019	E	27.8	Very low	34.5	Very low	144 Å²	144	112 Å²	112	67%	0.673	63%	0.63	S	S	*	*	H	α-helix	trans	-74.1	-23.9	172.2	-73.3	-160.1	143.2	0	0	113	T1022 K1023	E1019-T1022 WeakPolarHBondContact CA-OG1 3.39Å; E1019-T1022 PolarHBondContact O-OG1 2.94Å; E1019-T1022 VanDerWaalsContact O-OG1 3.13Å; E1019-K1023 PolarHBondContact O-N 2.96Å
1020	A	30.8	Very low	33.4	Very low	46 Å²	46	112.5 Å²	112.5	38%	0.38	63%	0.632	S	S	.	*	H	α-helix	trans	-67.6	-45	168.5	0	0	0	0	0	110.5	S1017 V1018 T1022 K1023 I1024	S1017-A1020 WeakPolarHBondContact O-CB 3.24Å; S1017-A1020 PolarHBondContact O-N 3.38Å; V1018-A1020 VanDerWaalsContact C-N 3.33Å; A1020-T1022 VanDerWaalsContact C-N 3.3Å; A1020-T1022 PolarHBondContact O-N 2.97Å; A1020-K1023 CarbonylContact O-C 3.41Å; A1020-K1023 WeakPolarHBondContact O-CA 3.48Å; A1020-K1023 PolarHBondContact O-N 3.24Å; A1020-I1024 HydrophobicContact CB-CD1 4.38Å; A1020-I1024 WeakPolarHBondContact O-CD1 3.5Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.42Å; A1020-I1024 PolarHBondContact O-N 2.97Å
1021	L	28.5	Very low	32.3	Very low	117 Å²	117	106.6 Å²	106.6	61%	0.613	62%	0.623	S	S	*	*	H	α-helix	trans	-61.5	-33.5	177.2	-74	164.9	0	0	0	113	S1017 V1018 K1023	S1017-L1021 WeakPolarHBondContact O-CG 3.37Å; S1017-L1021 PolarHBondContact O-N 2.71Å; V1018-L1021 PolarHBondContact O-N 2.98Å; L1021-K1023 VanDerWaalsContact C-N 3.26Å; L1021-K1023 PolarHBondContact O-N 3.41Å
1022	T	31.9	Very low	31.8	Very low	108 Å²	108	106 Å²	106	66%	0.663	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-7.4	172.3	55.9	0	0	0	0	114.6	V1018 E1019 A1020	V1018-T1022 PolarHBondContact O-N 3.03Å; V1018-T1022 VanDerWaalsContact O-N 3.16Å; E1019-T1022 WeakPolarHBondContact CA-OG1 3.39Å; E1019-T1022 PolarHBondContact O-OG1 2.94Å; E1019-T1022 VanDerWaalsContact O-OG1 3.13Å; A1020-T1022 VanDerWaalsContact C-N 3.3Å; A1020-T1022 PolarHBondContact O-N 2.97Å
1023	K	31.8	Very low	31.8	Very low	167 Å²	167	106.1 Å²	106.1	73%	0.726	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-15.3	171.1	-72.2	177.3	-179.8	168.7	0	114	E1019 A1020 L1021 G1025	E1019-K1023 PolarHBondContact O-N 2.96Å; A1020-K1023 CarbonylContact O-C 3.41Å; A1020-K1023 WeakPolarHBondContact O-CA 3.48Å; A1020-K1023 PolarHBondContact O-N 3.24Å; L1021-K1023 VanDerWaalsContact C-N 3.26Å; L1021-K1023 PolarHBondContact O-N 3.41Å; K1023-G1025 PolarHBondContact O-N 3.21Å
1024	I	33.9	Very low	31.7	Very low	90 Å²	90	102 Å²	102	46%	0.462	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.9	-3.5	171	-71.5	158.8	0	0	0	112	A1020 Q1026	A1020-I1024 HydrophobicContact CB-CD1 4.38Å; A1020-I1024 WeakPolarHBondContact O-CD1 3.5Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.42Å; A1020-I1024 PolarHBondContact O-N 2.97Å; I1024-Q1026 PolarHBondContact O-N 3.43Å
1025	G	30.7	Very low	31.8	Very low	67 Å²	67	102.4 Å²	102.4	69%	0.691	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	5.9	173.3	0	0	0	0	0	116.3	K1023	K1023-G1025 PolarHBondContact O-N 3.21Å
1026	Q	30.7	Very low	31.6	Very low	183 Å²	183	105 Å²	105	86%	0.855	60%	0.598	S	S	*	*	S	Bend	trans	-146.8	122.2	175	-63.6	-176.1	-17	0	0	110	I1024	I1024-Q1026 PolarHBondContact O-N 3.43Å
1027	G	31.1	Very low	31.5	Very low	48 Å²	48	102.5 Å²	102.5	50%	0.495	58%	0.58	S	S	.	*	S	Bend	trans	122.5	89.5	167.2	0	0	0	0	0	116.2	S1029	G1027-S1029 PolarHBondContact O-N 3.3Å; G1027-S1029 PolarHBondContact O-OG 2.99Å; G1027-S1029 VanDerWaalsContact O-OG 3.1Å
1028	D	33.8	Very low	31.3	Very low	167 Å²	167	102 Å²	102	89%	0.893	58%	0.579	S	S	*	*	S	Bend	trans	50.7	-16.2	138.8	-50.4	-17.4	0	0	0	122.2
1029	S	37.2	Very low	31.3	Very low	86 Å²	86	105.4 Å²	105.4	60%	0.601	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-7.4	-178.9	53	0	0	0	0	114.3	G1027	G1027-S1029 PolarHBondContact O-N 3.3Å; G1027-S1029 PolarHBondContact O-OG 2.99Å; G1027-S1029 VanDerWaalsContact O-OG 3.1Å
1030	I	33.5	Very low	31.4	Very low	101 Å²	101	104.4 Å²	104.4	52%	0.518	59%	0.588	S	S	.	*	H	α-helix	trans	-83.2	-23.3	179.3	-64.8	174.5	0	0	0	111.3	L1033 V1034	I1030-L1033 PolarHBondContact O-N 2.87Å; I1030-V1034 HydrophobicContact CG2-CG2 3.64Å; I1030-V1034 VanDerWaalsContact O-CB 3.3Å; I1030-V1034 WeakPolarHBondContact O-CB 3.38Å; I1030-V1034 VanDerWaalsContact O-CG2 3.26Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.3Å; I1030-V1034 PolarHBondContact O-N 3.49Å
1031	G	30.4	Very low	31.3	Very low	43 Å²	43	105.1 Å²	105.1	44%	0.443	59%	0.593	S	S	.	*	H	α-helix	trans	-60.7	-55.2	-176.2	0	0	0	0	0	113.8	L1033 V1034 E1035	G1031-L1033 VanDerWaalsContact C-N 3.29Å; G1031-L1033 PolarHBondContact O-N 3.43Å; G1031-V1034 PolarHBondContact O-N 2.87Å; G1031-V1034 VanDerWaalsContact O-N 3.15Å; G1031-E1035 PolarHBondContact O-N 3.46Å
1032	E	32	Very low	31.5	Very low	146 Å²	146	103.5 Å²	103.5	68%	0.682	59%	0.59	S	S	*	*	H	α-helix	trans	-65.6	-32.5	-178.8	-59.5	-177.7	142.2	0	0	112.3	H1036	E1032-H1036 PolarHBondContact O-N 3.06Å
1033	L	30.5	Very low	31.7	Very low	100 Å²	100	100.7 Å²	100.7	52%	0.524	57%	0.573	S	S	.	*	H	α-helix	trans	-72.6	-35.6	175.2	-155.4	74.9	0	0	0	111.6	I1030 G1031 C1037	I1030-L1033 PolarHBondContact O-N 2.87Å; G1031-L1033 VanDerWaalsContact C-N 3.29Å; G1031-L1033 PolarHBondContact O-N 3.43Å; L1033-C1037 WeakPolarHBondContact O-CB 3.32Å; L1033-C1037 PolarHBondContact O-N 3.49Å; L1033-C1037 VanDerWaalsContact O-N 3.13Å; L1033-C1037 PolarHBondContact O-SG 3.09Å
1034	V	31.2	Very low	31.6	Very low	81 Å²	81	100.2 Å²	100.2	49%	0.491	57%	0.573	S	S	.	*	H	α-helix	trans	-71	-37.7	174.3	165.4	0	0	0	0	111.6	I1030 G1031 C1037 A1038	I1030-V1034 HydrophobicContact CG2-CG2 3.64Å; I1030-V1034 VanDerWaalsContact O-CB 3.3Å; I1030-V1034 WeakPolarHBondContact O-CB 3.38Å; I1030-V1034 VanDerWaalsContact O-CG2 3.26Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.3Å; I1030-V1034 PolarHBondContact O-N 3.49Å; G1031-V1034 PolarHBondContact O-N 2.87Å; G1031-V1034 VanDerWaalsContact O-N 3.15Å; V1034-C1037 CarbonylContact O-C 3.48Å; V1034-C1037 PolarHBondContact O-N 3.39Å; V1034-A1038 WeakPolarHBondContact O-CB 3.36Å; V1034-A1038 PolarHBondContact O-N 3.08Å
1035	E	32	Very low	31.4	Very low	117 Å²	117	103.5 Å²	103.5	55%	0.547	59%	0.586	S	S	.	*	H	α-helix	trans	-63	-44.5	175.5	-74.5	-167.7	133.4	0	0	111.8	G1031 C1037 A1038	G1031-E1035 PolarHBondContact O-N 3.46Å; E1035-C1037 VanDerWaalsContact C-N 3.27Å; E1035-C1037 PolarHBondContact O-N 2.93Å; E1035-A1038 PolarHBondContact O-N 2.86Å
1036	H	29.8	Very low	31.4	Very low	156 Å²	156	103.8 Å²	103.8	72%	0.722	58%	0.577	S	S	*	*	H	α-helix	trans	-67.9	-22	175.5	-103	-75.9	0	0	0	114.1	E1032	E1032-H1036 PolarHBondContact O-N 3.06Å
1037	C	28	Very low	31.2	Very low	43 Å²	43	97.5 Å²	97.5	29%	0.291	55%	0.55	S	S	.	.	H	α-helix	trans	-93.6	-17.7	171.9	-71.4	0	0	0	0	114.2	L1033 V1034 E1035 H1039 L1040 A1041	L1033-C1037 WeakPolarHBondContact O-CB 3.32Å; L1033-C1037 PolarHBondContact O-N 3.49Å; L1033-C1037 VanDerWaalsContact O-N 3.13Å; L1033-C1037 PolarHBondContact O-SG 3.09Å; V1034-C1037 CarbonylContact O-C 3.48Å; V1034-C1037 PolarHBondContact O-N 3.39Å; E1035-C1037 VanDerWaalsContact C-N 3.27Å; E1035-C1037 PolarHBondContact O-N 2.93Å; C1037-H1039 PolarHBondContact O-N 3.34Å; C1037-L1040 CarbonylContact O-C 3.5Å; C1037-L1040 WeakPolarHBondContact O-CA 3.47Å; C1037-L1040 WeakPolarHBondContact O-CB 3.29Å; C1037-L1040 PolarHBondContact O-N 3.48Å; C1037-A1041 PolarHBondContact O-N 2.89Å
1038	A	29.4	Very low	31.1	Very low	43 Å²	43	98.7 Å²	98.7	36%	0.355	56%	0.555	S	S	.	*	H	α-helix	trans	-73.2	-8.8	173.8	0	0	0	0	0	112.3	V1034 E1035 A1041	V1034-A1038 WeakPolarHBondContact O-CB 3.36Å; V1034-A1038 PolarHBondContact O-N 3.08Å; E1035-A1038 PolarHBondContact O-N 2.86Å; A1038-A1041 CarbonylContact C-O 3.52Å; A1038-A1041 WeakPolarHBondContact CA-O 3.47Å
1039	H	33.6	Very low	30.9	Very low	161 Å²	161	95 Å²	95	75%	0.745	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	0.4	163.7	-60.4	-9.5	0	0	0	112.7	C1037	C1037-H1039 PolarHBondContact O-N 3.34Å
1040	L	28.8	Very low	30.4	Very low	123 Å²	123	95.9 Å²	95.9	64%	0.644	54%	0.535	S	S	*	.	S	Bend	trans	-123.8	-1.3	173.1	-62.8	171.3	0	0	0	113.1	C1037 V1043	C1037-L1040 CarbonylContact O-C 3.5Å; C1037-L1040 WeakPolarHBondContact O-CA 3.47Å; C1037-L1040 WeakPolarHBondContact O-CB 3.29Å; C1037-L1040 PolarHBondContact O-N 3.48Å; L1040-V1043 WeakPolarHBondContact O-CB 3.38Å; L1040-V1043 WeakPolarHBondContact O-CG2 3.19Å
1041	A	29.6	Very low	30.2	Very low	60 Å²	60	101.1 Å²	101.1	50%	0.496	55%	0.549	S	S	.	.	S	Bend	trans	-144.4	113.5	170.5	0	0	0	0	0	107.8	C1037 A1038	C1037-A1041 PolarHBondContact O-N 2.89Å; A1038-A1041 CarbonylContact C-O 3.52Å; A1038-A1041 WeakPolarHBondContact CA-O 3.47Å
1042	P	32.4	Very low	30.2	Very low	83 Å²	83	106.3 Å²	106.3	54%	0.539	57%	0.566	S	S	.	*	S	Bend	cis	-109.1	61.4	46.5	39.7	-37.9	0	0	0	114.4	E1044 E1045 S1046	P1042-E1044 PolarHBondContact O-N 2.85Å; P1042-E1045 HydrophobicContact CB-CB 4.29Å; P1042-E1045 PolarHBondContact O-N 2.84Å; P1042-S1046 PolarHBondContact O-N 3.35Å; P1042-S1046 VanDerWaalsContact O-N 3.07Å; P1042-S1046 PolarHBondContact O-OG 3.46Å
1043	V	34.7	Very low	29.9	Very low	50 Å²	50	105.4 Å²	105.4	30%	0.303	57%	0.565	S	S	.	*	H	α-helix	trans	-54.2	-42.3	160.8	171.7	0	0	0	0	109.4	L1040 E1045 S1046 L1047	L1040-V1043 WeakPolarHBondContact O-CB 3.38Å; L1040-V1043 WeakPolarHBondContact O-CG2 3.19Å; V1043-E1045 PolarHBondContact O-N 3Å; V1043-S1046 WeakPolarHBondContact CA-OG 3.49Å; V1043-S1046 PolarHBondContact O-N 3.35Å; V1043-S1046 PolarHBondContact O-OG 2.75Å; V1043-L1047 HydrophobicContact CG1-CD1 3.45Å; V1043-L1047 VanDerWaalsContact CG1-CD1 3.45Å; V1043-L1047 HydrophobicContact CG1-CG 3.98Å; V1043-L1047 WeakPolarHBondContact O-CB 3.11Å; V1043-L1047 WeakPolarHBondContact O-CD1 3.34Å; V1043-L1047 WeakPolarHBondContact O-CG 3.3Å; V1043-L1047 PolarHBondContact O-N 3.38Å
1044	E	29.9	Very low	29.7	Very low	156 Å²	156	104.7 Å²	104.7	73%	0.729	57%	0.568	S	S	*	*	H	α-helix	trans	-64.8	-27.7	-179.2	-62.3	-169.7	172.5	0	0	115.8	P1042	P1042-E1044 PolarHBondContact O-N 2.85Å
1045	E	29.8	Very low	29.7	Very low	160 Å²	160	108.6 Å²	108.6	75%	0.748	59%	0.585	S	S	*	*	H	α-helix	trans	-90.4	-30	174.3	-66.6	-172.1	126.6	0	0	113.2	P1042 V1043 L1047 A1048	P1042-E1045 HydrophobicContact CB-CB 4.29Å; P1042-E1045 PolarHBondContact O-N 2.84Å; V1043-E1045 PolarHBondContact O-N 3Å; E1045-L1047 PolarHBondContact O-N 2.9Å; E1045-A1048 WeakPolarHBondContact O-CB 3.32Å; E1045-A1048 PolarHBondContact O-N 3.07Å; E1045-A1048 VanDerWaalsContact O-N 3.09Å
1046	S	31.2	Very low	29.4	Very low	72 Å²	72	109.3 Å²	109.3	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-70.8	-18.8	167	53.1	0	0	0	0	112.6	P1042 V1043 A1048	P1042-S1046 PolarHBondContact O-N 3.35Å; P1042-S1046 VanDerWaalsContact O-N 3.07Å; P1042-S1046 PolarHBondContact O-OG 3.46Å; V1043-S1046 WeakPolarHBondContact CA-OG 3.49Å; V1043-S1046 PolarHBondContact O-N 3.35Å; V1043-S1046 PolarHBondContact O-OG 2.75Å; S1046-A1048 PolarHBondContact O-N 2.99Å
1047	L	27.4	Very low	29.3	Very low	52 Å²	52	105.1 Å²	105.1	27%	0.272	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-80.4	19.6	165.1	-68.7	172.5	0	0	0	113.5	V1043 E1045 C1049 Q1050	V1043-L1047 HydrophobicContact CG1-CD1 3.45Å; V1043-L1047 VanDerWaalsContact CG1-CD1 3.45Å; V1043-L1047 HydrophobicContact CG1-CG 3.98Å; V1043-L1047 WeakPolarHBondContact O-CB 3.11Å; V1043-L1047 WeakPolarHBondContact O-CD1 3.34Å; V1043-L1047 WeakPolarHBondContact O-CG 3.3Å; V1043-L1047 PolarHBondContact O-N 3.38Å; E1045-L1047 PolarHBondContact O-N 2.9Å; L1047-C1049 PolarHBondContact O-N 3.37Å; L1047-Q1050 HydrophobicContact CB-CB 3.73Å; L1047-Q1050 HydrophobicContact CD2-CB 3.76Å; L1047-Q1050 HydrophobicContact CD2-CG 4.02Å; L1047-Q1050 HydrophobicContact CG-CB 4.24Å; L1047-Q1050 WeakPolarHBondContact O-CA 3.34Å; L1047-Q1050 VanDerWaalsContact O-CB 3.23Å; L1047-Q1050 WeakPolarHBondContact O-CB 3.38Å; L1047-Q1050 PolarHBondContact O-N 3.08Å
1048	A	28.5	Very low	29.4	Very low	73 Å²	73	110.2 Å²	110.2	60%	0.603	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-51.9	-32	155.5	0	0	0	0	0	111.5	E1045 S1046 Q1050	E1045-A1048 WeakPolarHBondContact O-CB 3.32Å; E1045-A1048 PolarHBondContact O-N 3.07Å; E1045-A1048 VanDerWaalsContact O-N 3.09Å; S1046-A1048 PolarHBondContact O-N 2.99Å; A1048-Q1050 PolarHBondContact O-N 2.76Å
1049	C	28.3	Very low	29.3	Very low	90 Å²	90	111.5 Å²	111.5	61%	0.608	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-71.1	-7.4	171.3	-61.9	0	0	0	0	114.9	L1047	L1047-C1049 PolarHBondContact O-N 3.37Å
1050	Q	28.4	Very low	29.1	Very low	103 Å²	103	107.9 Å²	107.9	48%	0.481	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-90.7	-21	-174.8	-156.8	-175	42.3	0	0	113.5	L1047 A1048 D1052 L1053 C1054	L1047-Q1050 HydrophobicContact CB-CB 3.73Å; L1047-Q1050 HydrophobicContact CD2-CB 3.76Å; L1047-Q1050 HydrophobicContact CD2-CG 4.02Å; L1047-Q1050 HydrophobicContact CG-CB 4.24Å; L1047-Q1050 WeakPolarHBondContact O-CA 3.34Å; L1047-Q1050 VanDerWaalsContact O-CB 3.23Å; L1047-Q1050 WeakPolarHBondContact O-CB 3.38Å; L1047-Q1050 PolarHBondContact O-N 3.08Å; A1048-Q1050 PolarHBondContact O-N 2.76Å; Q1050-D1052 VanDerWaalsContact C-N 3.29Å; Q1050-L1053 CarbonylContact O-C 3.52Å; Q1050-L1053 WeakPolarHBondContact O-CA 3.34Å; Q1050-L1053 PolarHBondContact O-N 3.05Å; Q1050-C1054 PolarHBondContact O-N 3.16Å
1051	R	29.3	Very low	29.2	Very low	212 Å²	212	111.3 Å²	111.3	80%	0.8	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-69.7	-29	171.1	-71.7	-173.5	-179.4	138.9	6.1	112.4	L1053 C1054	R1051-L1053 PolarHBondContact O-N 3.19Å; R1051-C1054 WeakPolarHBondContact O-CB 3.35Å; R1051-C1054 PolarHBondContact O-N 3.15Å; R1051-C1054 PolarHBondContact O-SG 3.29Å
1052	D	29.9	Very low	29.1	Very low	151 Å²	151	112.4 Å²	112.4	81%	0.807	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-79.2	-7	169.8	-65.2	-13.4	0	0	0	112.6	Q1050	Q1050-D1052 VanDerWaalsContact C-N 3.29Å
1053	L	26.1	Very low	28.8	Very low	127 Å²	127	114 Å²	114	67%	0.665	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-103.3	14.8	168.4	-70.4	167.3	0	0	0	112.2	Q1050 R1051 L1055	Q1050-L1053 CarbonylContact O-C 3.52Å; Q1050-L1053 WeakPolarHBondContact O-CA 3.34Å; Q1050-L1053 PolarHBondContact O-N 3.05Å; R1051-L1053 PolarHBondContact O-N 3.19Å; L1053-L1055 PolarHBondContact O-N 3.4Å; L1053-L1055 VanDerWaalsContact O-N 3.13Å
1054	C	26.2	Very low	28.4	Very low	86 Å²	86	114.8 Å²	114.8	58%	0.581	67%	0.67	S	S	*	*			trans	-61.9	114.7	162.8	-77.4	0	0	0	0	108.9	Q1050 R1051 D1056	Q1050-C1054 PolarHBondContact O-N 3.16Å; R1051-C1054 WeakPolarHBondContact O-CB 3.35Å; R1051-C1054 PolarHBondContact O-N 3.15Å; R1051-C1054 PolarHBondContact O-SG 3.29Å; C1054-D1056 PolarHBondContact O-N 3.41Å
1055	L	29.7	Very low	28.3	Very low	163 Å²	163	114.6 Å²	114.6	85%	0.853	67%	0.673	S	S	*	*			trans	-72.4	71.4	-177.4	-69.6	165.8	0	0	0	111.9	L1053 G1057	L1053-L1055 PolarHBondContact O-N 3.4Å; L1053-L1055 VanDerWaalsContact O-N 3.13Å; L1055-G1057 PolarHBondContact O-N 3.1Å
1056	D	27.2	Very low	28.1	Very low	132 Å²	132	116.3 Å²	116.3	71%	0.706	68%	0.679	S	S	*	*			trans	-61.1	105.1	157.2	-92.3	-20.5	0	0	0	107.8	C1054 D1058 S1059	C1054-D1056 PolarHBondContact O-N 3.41Å; D1056-D1058 PolarHBondContact O-N 2.86Å; D1056-S1059 WeakPolarHBondContact O-CB 3.39Å; D1056-S1059 PolarHBondContact O-N 3.5Å; D1056-S1059 PolarHBondContact O-OG 2.82Å
1057	G	28.1	Very low	27.9	Very low	68 Å²	68	121 Å²	121	70%	0.701	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-10.8	-161.2	0	0	0	0	0	116.5	L1055	L1055-G1057 PolarHBondContact O-N 3.1Å
1058	D	29.6	Very low	27.8	Very low	150 Å²	150	122.6 Å²	122.6	80%	0.802	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-14.3	175.4	-71.4	-58.4	0	0	0	113.9	D1056 A1060	D1056-D1058 PolarHBondContact O-N 2.86Å; D1058-A1060 PolarHBondContact O-N 3.21Å
1059	S	27.6	Very low	27.6	Very low	69 Å²	69	127.9 Å²	127.9	48%	0.483	73%	0.725	S	S	.	*	G	3₁₀ helix	trans	-77.3	-17.7	-175.2	65	0	0	0	0	114.8	D1056 K1061 A1062	D1056-S1059 WeakPolarHBondContact O-CB 3.39Å; D1056-S1059 PolarHBondContact O-N 3.5Å; D1056-S1059 PolarHBondContact O-OG 2.82Å; S1059-K1061 PolarHBondContact O-N 3.46Å; S1059-A1062 PolarHBondContact O-N 3.01Å
1060	A	28	Very low	27.5	Very low	86 Å²	86	132.8 Å²	132.8	71%	0.711	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-63.5	1.7	-172.4	0	0	0	0	0	115.9	D1058	D1058-A1060 PolarHBondContact O-N 3.21Å
1061	K	30.6	Very low	27.4	Very low	195 Å²	195	134.4 Å²	134.4	85%	0.848	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-93	-5.6	177	-69.8	170.4	-178.1	160.7	0	114.2	S1059	S1059-K1061 PolarHBondContact O-N 3.46Å
1062	A	28.5	Very low	27.1	Very low	83 Å²	83	127.9 Å²	127.9	69%	0.686	74%	0.738	S	S	*	*	S	Bend	trans	-99.9	-24.9	-175.1	0	0	0	0	0	115.1	S1059 G1064	S1059-A1062 PolarHBondContact O-N 3.01Å; A1062-G1064 VanDerWaalsContact C-N 3.28Å; A1062-G1064 PolarHBondContact O-N 3.33Å; A1062-G1064 VanDerWaalsContact O-N 3.1Å
1063	C	26.4	Very low	26.8	Very low	116 Å²	116	129 Å²	129	78%	0.784	74%	0.736	S	S	*	*			trans	-86.5	33	-169.2	-64.4	0	0	0	0	115.1	N1065	C1063-N1065 PolarHBondContact O-N 3.45Å
1064	G	26.7	Very low	26.9	Very low	67 Å²	67	130 Å²	130	69%	0.691	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	10.8	-171.1	0	0	0	0	0	117.5	A1062	A1062-G1064 VanDerWaalsContact C-N 3.28Å; A1062-G1064 PolarHBondContact O-N 3.33Å; A1062-G1064 VanDerWaalsContact O-N 3.1Å
1065	N	26.8	Very low	26.9	Very low	151 Å²	151	132.8 Å²	132.8	81%	0.807	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	10	-160.7	-72.6	-1.8	0	0	0	116.3	C1063 L1067	C1063-N1065 PolarHBondContact O-N 3.45Å; N1065-L1067 PolarHBondContact O-N 3.07Å
1066	F	25.3	Very low	26.9	Very low	196 Å²	196	131.8 Å²	131.8	86%	0.86	75%	0.745	S	S	*	*	S	Bend	trans	-81	94.1	161	-91.1	-82.2	0	0	0	109.3	P1068	F1066-P1068 WeakPolarHBondContact O-CD 3.2Å
1067	L	26.9	Very low	26.9	Very low	171 Å²	171	133.5 Å²	133.5	90%	0.895	75%	0.753	S	S	*	*			trans	-61.1	112.6	-179.4	-85.9	164	0	0	0	112.5	N1065	N1065-L1067 PolarHBondContact O-N 3.07Å
1068	P	26.8	Very low	27	Very low	86 Å²	86	135.7 Å²	135.7	56%	0.558	76%	0.755	S	S	*	*			trans	-80.5	147.3	162.6	-0.8	22.3	0	0	0	108.6	F1066 K1070	F1066-P1068 WeakPolarHBondContact O-CD 3.2Å; P1068-K1070 PolarHBondContact O-N 3.27Å
1069	M	23.8	Very low	27	Very low	183 Å²	183	133.9 Å²	133.9	90%	0.901	76%	0.755	S	S	*	*			trans	-72.6	93.1	173	-168.9	172.9	-65.1	0	0	109.8	I1071	M1069-I1071 PolarHBondContact O-N 3.09Å
1070	K	25.4	Very low	27.1	Very low	193 Å²	193	139.9 Å²	139.9	84%	0.839	78%	0.775	S	S	*	*			trans	-69.9	86.2	-170.8	-167.2	177.1	-174.1	177.2	0	112.5	P1068 A1072	P1068-K1070 PolarHBondContact O-N 3.27Å; K1070-A1072 PolarHBondContact O-N 2.93Å
1071	I	25.5	Very low	27.2	Very low	138 Å²	138	142.5 Å²	142.5	71%	0.708	78%	0.777	S	S	*	*			trans	-71.4	103.7	162.8	-63.9	169.1	0	0	0	107.3	M1069 F1073	M1069-I1071 PolarHBondContact O-N 3.09Å; I1071-F1073 HydrophobicContact CG2-CD2 4.3Å; I1071-F1073 HydrophobicContact CG2-CE2 3.94Å; I1071-F1073 PolarHBondContact O-N 3.26Å
1072	A	24.3	Very low	27.3	Very low	74 Å²	74	139 Å²	139	61%	0.612	78%	0.777	S	S	*	*			trans	-85.2	106.2	178.7	0	0	0	0	0	110.4	K1070	K1070-A1072 PolarHBondContact O-N 2.93Å
1073	F	23.8	Very low	27.5	Very low	174 Å²	174	139.8 Å²	139.8	76%	0.763	78%	0.784	S	S	*	*			trans	-75.3	127.8	155.6	-70.7	-89.3	0	0	0	108.1	I1071	I1071-F1073 HydrophobicContact CG2-CD2 4.3Å; I1071-F1073 HydrophobicContact CG2-CE2 3.94Å; I1071-F1073 PolarHBondContact O-N 3.26Å
1074	I	28.2	Very low	27.6	Very low	148 Å²	148	142.4 Å²	142.4	76%	0.759	79%	0.788	S	S	*	*			trans	-100.2	77	173.8	-55.6	179.4	0	0	0	107.4	D1076	I1074-D1076 HydrophobicContact CG2-CB 4.39Å; I1074-D1076 PolarHBondContact O-N 3.28Å; I1074-D1076 VanDerWaalsContact O-N 3.11Å
1075	D	26.7	Very low	27.8	Very low	146 Å²	146	150.1 Å²	150.1	78%	0.781	80%	0.797	S	S	*	*			trans	-81.4	67.6	168.6	-82	-46.6	0	0	0	110.2
1076	D	29.2	Very low	28	Very low	142 Å²	142	147 Å²	147	76%	0.759	79%	0.786	S	S	*	*			trans	-132.5	88	170.1	-101.7	-43.2	0	0	0	108.7	I1074 P1078	I1074-D1076 HydrophobicContact CG2-CB 4.39Å; I1074-D1076 PolarHBondContact O-N 3.28Å; I1074-D1076 VanDerWaalsContact O-N 3.11Å; D1076-P1078 WeakPolarHBondContact O-CD 3.37Å
1077	L	27.6	Very low	28.5	Very low	167 Å²	167	145.2 Å²	145.2	87%	0.874	78%	0.78	S	S	*	*			trans	-79.9	117.4	177.8	-76.2	168.5	0	0	0	111.1	S1079	L1077-S1079 PolarHBondContact O-N 2.83Å
1078	P	29.6	Very low	28.6	Very low	114 Å²	114	145.3 Å²	145.3	74%	0.74	78%	0.777	S	S	*	*			trans	-72.7	123.2	162.8	-6.8	25.3	0	0	0	108.7	D1076 E1080	D1076-P1078 WeakPolarHBondContact O-CD 3.37Å; P1078-E1080 PolarHBondContact O-N 3.36Å; P1078-E1080 VanDerWaalsContact O-N 3.08Å
1079	S	28.4	Very low	29	Very low	113 Å²	113	146 Å²	146	79%	0.79	78%	0.783	S	S	*	*			trans	-73.1	98	176.8	-178	0	0	0	0	110.9	L1077 D1081	L1077-S1079 PolarHBondContact O-N 2.83Å; S1079-D1081 VanDerWaalsContact C-N 3.33Å; S1079-D1081 PolarHBondContact O-N 2.9Å
1080	E	31.2	Very low	29.5	Very low	195 Å²	195	146.4 Å²	146.4	91%	0.911	78%	0.783	S	S	*	*			trans	-71	83.3	172.7	-69.3	-154.7	133.9	0	0	111.9	P1078	P1078-E1080 PolarHBondContact O-N 3.36Å; P1078-E1080 VanDerWaalsContact O-N 3.08Å
1081	D	30	Very low	29.9	Very low	140 Å²	140	141.1 Å²	141.1	75%	0.749	78%	0.776	S	S	*	*			trans	-145	61.1	174.6	-147.8	-10.7	0	0	0	111.7	S1079	S1079-D1081 VanDerWaalsContact C-N 3.33Å; S1079-D1081 PolarHBondContact O-N 2.9Å
1082	S	31.5	Very low	30.3	Very low	122 Å²	122	140.9 Å²	140.9	85%	0.853	78%	0.78	S	S	*	*			trans	-165.8	151	170.8	-87.9	0	0	0	0	115.3
1083	A	33.2	Very low	30.9	Very low	100 Å²	100	147.4 Å²	147.4	83%	0.826	79%	0.789	S	S	*	*			trans	69.3	57.8	157.9	0	0	0	0	0	119.8	R1085	A1083-R1085 PolarHBondContact O-N 2.89Å
1084	I	29.5	Very low	31.5	Very low	170 Å²	170	144.6 Å²	144.6	87%	0.872	78%	0.782	S	S	*	*			trans	-59.3	123.3	151.3	-60.3	162.5	0	0	0	109.9
1085	R	30.7	Very low	31.7	Very low	230 Å²	230	143.2 Å²	143.2	87%	0.868	79%	0.786	S	S	*	*			trans	-176.1	142.1	139.8	-109.3	170.1	-175.5	-179.7	0.9	117.9	A1083	A1083-R1085 PolarHBondContact O-N 2.89Å
1086	S	30.6	Very low	32	Very low	84 Å²	84	141.1 Å²	141.1	59%	0.587	78%	0.782	S	S	*	*			trans	76.6	108	140.2	-67.3	0	0	0	0	123
1087	E	34.8	Very low	32.1	Very low	159 Å²	159	140.8 Å²	140.8	74%	0.743	79%	0.786	S	S	*	*				87.9	82	119.4	-69.8	152.7	-116.4	0	0	122.2
1088	Q	30.1	Very low	32.1	Very low	174 Å²	174	141.3 Å²	141.3	81%	0.813	79%	0.79	S	S	*	*				49.7	111.6	101.2	-172.9	-175.3	-5.6	0	0	119.8
1089	S	34.3	Very low	32.1	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	79%	0.793	S	S	*	*				175.2	121.5	117.4	-79.4	0	0	0	0	117.4
1090	Q	34.2	Very low	32.1	Very low	191 Å²	191	138.6 Å²	138.6	89%	0.893	79%	0.791	S	S	*	*			trans	61.4	124.8	133.9	-66	-171.9	-26.6	0	0	125.3
1091	A	33.9	Very low	31.8	Very low	83 Å²	83	135 Å²	135	69%	0.686	79%	0.787	S	S	*	*				103.8	100.9	125.7	0	0	0	0	0	122.1
1092	T	33.6	Very low	31.7	Very low	132 Å²	132	134.3 Å²	134.3	81%	0.81	79%	0.794	S	S	*	*				36.5	142.1	126.5	64.6	0	0	0	0	120.6
1093	R	36.7	Very low	31.4	Very low	211 Å²	211	135.7 Å²	135.7	80%	0.796	79%	0.791	S	S	*	*			cis	-172.8	150.2	46.2	-162.9	159.3	-176.9	168.5	2.7	115
1094	D	36.3	Very low	31.1	Very low	116 Å²	116	138.6 Å²	138.6	62%	0.62	79%	0.792	S	S	*	*			trans	19.3	112.7	153	-40.3	-23.6	0	0	0	119.2
1095	S	33.9	Very low	31	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	79%	0.79	S	S	*	*				88	150.4	83.3	86.8	0	0	0	0	114.9
1096	S	33	Very low	30.7	Very low	101 Å²	101	134.3 Å²	134.3	71%	0.706	79%	0.794	S	S	*	*			cis	-153.4	138.5	-1.8	56	0	0	0	0	113.7
1097	T	30.7	Very low	30.6	Very low	135 Å²	135	138.4 Å²	138.4	83%	0.828	80%	0.804	S	S	*	*			trans	39.1	106.6	147.9	58.1	0	0	0	0	121.7
1098	D	27.9	Very low	30.2	Very low	179 Å²	179	139.5 Å²	139.5	96%	0.957	81%	0.811	S	S	*	*			trans	-154.6	148.8	133.9	-128	-20.6	0	0	0	108.1
1099	G	29.5	Very low	30.1	Very low	78 Å²	78	136.5 Å²	136.5	80%	0.804	80%	0.804	S	S	*	*			trans	134.2	152	170.9	0	0	0	0	0	117.8
1100	A	27.3	Very low	29.7	Very low	91 Å²	91	138.2 Å²	138.2	75%	0.752	81%	0.806	S	S	*	*			trans	-106.1	165.4	-179.9	0	0	0	0	0	112.8
1101	S	26.7	Very low	29.3	Very low	119 Å²	119	134.4 Å²	134.4	83%	0.832	81%	0.807	S	S	*	*			trans	47.7	104.9	153.9	60.8	0	0	0	0	119.3
1102	S	27.2	Very low	29.1	Very low	127 Å²	127	138.4 Å²	138.4	89%	0.888	81%	0.812	S	S	*	*			trans	-155.8	167.1	138.5	-160.1	0	0	0	0	111.8
1103	L	25.6	Very low	28.7	Very low	151 Å²	151	138.9 Å²	138.9	79%	0.791	81%	0.809	S	S	*	*			trans	-86.6	175.8	179.6	-67.9	159	0	0	0	112
1104	N	25.8	Very low	28.1	Very low	161 Å²	161	135.6 Å²	135.6	86%	0.861	82%	0.817	S	S	*	*			trans	81.6	77.5	162.2	-53.3	-21.7	0	0	0	118.2
1105	S	28	Very low	27.6	Very low	119 Å²	119	134.1 Å²	134.1	83%	0.832	82%	0.815	S	S	*	*			trans	-134.6	132.7	138	51.4	0	0	0	0	109.3
1106	M	25.1	Very low	27.4	Very low	191 Å²	191	136.1 Å²	136.1	94%	0.941	82%	0.817	S	S	*	*			trans	-106.7	103	-178.2	-179.4	162.6	69.7	0	0	108.8
1107	E	28.3	Very low	27.1	Very low	170 Å²	170	135.6 Å²	135.6	79%	0.794	81%	0.813	S	S	*	*			trans	-111.8	114.9	-176.7	-161.1	173.2	-150	0	0	109.5	V1109	E1107-V1109 HydrophobicContact CG-CG2 4.1Å
1108	M	25.1	Very low	27.1	Very low	181 Å²	181	132.9 Å²	132.9	89%	0.892	80%	0.796	S	S	*	*			trans	-88.8	116.7	172.1	-62.9	-154	-47.6	0	0	109.5
1109	V	28.6	Very low	27.1	Very low	111 Å²	111	132.9 Å²	132.9	67%	0.673	78%	0.783	S	S	*	*			trans	-132.6	106.4	170.2	-174.2	0	0	0	0	110.1	E1107	E1107-V1109 HydrophobicContact CG-CG2 4.1Å
1110	N	25.9	Very low	27	Very low	136 Å²	136	137 Å²	137	73%	0.727	78%	0.779	S	S	*	*			trans	36.2	111.9	156.7	-58.4	5.7	0	0	0	119.3	E1112	N1110-E1112 PolarHBondContact O-N 3.39Å
1111	A	27	Very low	27.4	Very low	112 Å²	112	136.8 Å²	136.8	93%	0.926	76%	0.764	S	S	*	*	S	Bend	trans	-77.9	41	167.4	0	0	0	0	0	113.6
1112	E	28	Very low	27.5	Very low	167 Å²	167	139.9 Å²	139.9	78%	0.78	77%	0.766	S	S	*	*			trans	-129.9	63.4	179.5	-70	-167.4	146.6	0	0	111.2	N1110	N1110-E1112 PolarHBondContact O-N 3.39Å
1113	N	25.8	Very low	28	Very low	142 Å²	142	138 Å²	138	76%	0.759	75%	0.746	S	S	*	*			trans	-166.4	72.8	166.2	-104	-48.6	0	0	0	111.3	S1115	N1113-S1115 VanDerWaalsContact C-N 3.27Å; N1113-S1115 PolarHBondContact O-N 3.43Å; N1113-S1115 VanDerWaalsContact O-N 3.13Å
1114	C	24.8	Very low	28.8	Very low	142 Å²	142	138.7 Å²	138.7	96%	0.959	75%	0.75	S	S	*	*			trans	-84	74.5	168.1	-71.2	0	0	0	0	110
1115	S	25.4	Very low	29.6	Very low	84 Å²	84	140.4 Å²	140.4	59%	0.587	75%	0.75	S	S	*	*			trans	-124.2	120.6	-179.1	-57.5	0	0	0	0	109.4	N1113 S1117	N1113-S1115 VanDerWaalsContact C-N 3.27Å; N1113-S1115 PolarHBondContact O-N 3.43Å; N1113-S1115 VanDerWaalsContact O-N 3.13Å; S1115-S1117 PolarHBondContact O-N 3.28Å
1116	D	28.9	Very low	30.2	Very low	162 Å²	162	140.4 Å²	140.4	87%	0.866	74%	0.737	S	S	*	*			trans	-64.8	106.8	177.7	-71.8	-52.5	0	0	0	110.6	V1118	D1116-V1118 VanDerWaalsContact C-N 3.31Å; D1116-V1118 PolarHBondContact O-N 3.49Å
1117	S	28.3	Very low	30.9	Very low	90 Å²	90	138.1 Å²	138.1	63%	0.629	72%	0.724	S	S	*	*			trans	-81.9	71.5	-171.4	69.5	0	0	0	0	112.5	S1115 R1119	S1115-S1117 PolarHBondContact O-N 3.28Å; S1117-R1119 PolarHBondContact O-N 2.88Å; S1117-R1119 VanDerWaalsContact O-N 3.09Å
1118	V	29.7	Very low	31	Very low	78 Å²	78	135.5 Å²	135.5	47%	0.473	71%	0.708	S	S	.	*			trans	-62	109	168.5	-177.4	0	0	0	0	108.9	D1116 F1120	D1116-V1118 VanDerWaalsContact C-N 3.31Å; D1116-V1118 PolarHBondContact O-N 3.49Å; V1118-F1120 HydrophobicContact CB-CE2 4.33Å; V1118-F1120 HydrophobicContact CG1-CD2 4.09Å; V1118-F1120 HydrophobicContact CG1-CE2 3.61Å; V1118-F1120 HydrophobicContact CG1-CZ 3.85Å
1119	R	28.5	Very low	31.6	Very low	179 Å²	179	129.1 Å²	129.1	68%	0.675	68%	0.681	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92	102.1	174.9	-67.3	-171.1	-173.4	-174.5	3.8	109.8	S1117 I1121	S1117-R1119 PolarHBondContact O-N 2.88Å; S1117-R1119 VanDerWaalsContact O-N 3.09Å; R1119-I1121 PolarHBondContact O-N 2.91Å
1120	F	27.8	Very low	31.9	Very low	163 Å²	163	125.1 Å²	125.1	72%	0.715	66%	0.658	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.7	122.6	164.3	-66.5	-85.1	0	0	0	109.4	V1118	V1118-F1120 HydrophobicContact CB-CE2 4.33Å; V1118-F1120 HydrophobicContact CG1-CD2 4.09Å; V1118-F1120 HydrophobicContact CG1-CE2 3.61Å; V1118-F1120 HydrophobicContact CG1-CZ 3.85Å
1121	I	34	Very low	32.3	Very low	87 Å²	87	120.8 Å²	120.8	45%	0.446	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.5	84.4	170.2	-55.4	179.3	0	0	0	107.1	R1119 N1123	R1119-I1121 PolarHBondContact O-N 2.91Å; I1121-N1123 HydrophobicContact CG2-CB 4.47Å; I1121-N1123 PolarHBondContact O-N 3.04Å
1122	E	30.6	Very low	32.6	Very low	184 Å²	184	117.4 Å²	117.4	86%	0.86	60%	0.604	S	S	*	*			trans	-71.5	113.8	164.9	-72.8	-170.1	126.9	0	0	108.4
1123	N	36.5	Very low	32.8	Very low	89 Å²	89	112.1 Å²	112.1	48%	0.476	58%	0.583	S	S	.	*			trans	-121.2	100.3	-178.8	-135.6	2.6	0	0	0	106.9	I1121 K1125 Q1126	I1121-N1123 HydrophobicContact CG2-CB 4.47Å; I1121-N1123 PolarHBondContact O-N 3.04Å; N1123-K1125 PolarHBondContact O-N 2.88Å; N1123-Q1126 PolarHBondContact ND2-OE1 3.25Å; N1123-Q1126 PolarHBondContact O-N 3.24Å
1124	D	41.9	Very low	33.2	Very low	165 Å²	165	109.7 Å²	109.7	88%	0.882	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	18.3	-174.2	-66.4	-35.4	0	0	0	115.5
1125	K	44.2	Very low	33.4	Very low	196 Å²	196	109.3 Å²	109.3	85%	0.852	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.3	10.5	-169.9	-61.1	-177.6	-178.5	173.4	0	113.5	N1123	N1123-K1125 PolarHBondContact O-N 2.88Å
1126	Q	40.6	Very low	33.8	Very low	120 Å²	120	113 Å²	113	56%	0.561	56%	0.555	S	S	*	*			trans	-135	140.8	179.5	-63.7	-177.2	-66.7	0	0	110.6	N1123 Y1128	N1123-Q1126 PolarHBondContact ND2-OE1 3.25Å; N1123-Q1126 PolarHBondContact O-N 3.24Å; Q1126-Y1128 PolarHBondContact O-N 2.8Å; Q1126-Y1128 VanDerWaalsContact O-N 3.12Å
1127	E	39.6	Very low	33.9	Very low	142 Å²	142	108.1 Å²	108.1	66%	0.664	54%	0.537	S	S	*	.	S	Bend	trans	-74	1.1	-173.8	-56.2	173.4	133.9	0	0	113.9	N1155	E1127-N1155 WeakPolarHBondContact O-CB 3.33Å; E1127-N1155 PolarHBondContact O-N 2.96Å; E1127-N1155 VanDerWaalsContact O-N 3.14Å
1128	Y	29.4	Very low	34	Very low	116 Å²	116	109.6 Å²	109.6	46%	0.455	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130	-170.3	-38.8	-79.1	0	0	0	109.5	Q1126 V1153	Q1126-Y1128 PolarHBondContact O-N 2.8Å; Q1126-Y1128 VanDerWaalsContact O-N 3.12Å; Y1128-V1153 VanDerWaalsContact CA-O 3.32Å; Y1128-V1153 WeakPolarHBondContact CA-O 3.42Å
1129	S	37.8	Very low	34.2	Very low	47 Å²	47	112.1 Å²	112.1	33%	0.329	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.6	164.9	44.8	0	0	0	0	109.2	V1153	S1129-V1153 PolarHBondContact N-O 3.32Å; S1129-V1153 PolarHBondContact O-N 3.49Å; S1129-V1153 PolarHBondContact OG-O 3.03Å
1130	S	35.6	Very low	34.5	Very low	27 Å²	27	108.2 Å²	108.2	19%	0.189	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	129.9	177.9	53.9	0	0	0	0	111.2	V1151	S1130-V1151 WeakPolarHBondContact CA-O 3.48Å
1131	V	33.8	Very low	34.8	Very low	45 Å²	45	106.8 Å²	106.8	27%	0.273	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.6	119.2	172.6	-178.6	0	0	0	0	108.3	V1133 T1150 V1151	V1131-V1133 HydrophobicContact CG1-CG2 4.34Å; V1131-T1150 WeakPolarHBondContact O-CA 3.35Å; V1131-V1151 PolarHBondContact N-O 3.41Å; V1131-V1151 PolarHBondContact O-N 2.92Å
1132	T	32.8	Very low	34.6	Very low	41 Å²	41	114.8 Å²	114.8	25%	0.252	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103	132.5	173.9	20.9	0	0	0	0	111.5	T1148 V1149 T1150	T1132-T1148 HydrophobicContact CG2-CG2 3.98Å; T1132-V1149 CarbonylContact C-O 3.47Å; T1132-V1149 WeakPolarHBondContact CA-O 3.44Å; T1132-T1150 HydrophobicContact CG2-CG2 4.07Å; T1132-T1150 VanDerWaalsContact CG2-OG1 3.23Å; T1132-T1150 WeakPolarHBondContact CG2-OG1 3.44Å
1133	V	33.8	Very low	34.5	Very low	56 Å²	56	110 Å²	110	34%	0.339	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.1	121.6	176.1	-174.9	0	0	0	0	109.6	V1131 Y1135 T1148 V1149	V1131-V1133 HydrophobicContact CG1-CG2 4.34Å; V1133-Y1135 HydrophobicContact CB-CD2 4.45Å; V1133-Y1135 HydrophobicContact CB-CE2 3.88Å; V1133-Y1135 HydrophobicContact CG1-CD2 4.02Å; V1133-Y1135 HydrophobicContact CG1-CE1 4.31Å; V1133-Y1135 HydrophobicContact CG1-CE2 3.53Å; V1133-T1148 WeakPolarHBondContact O-CA 3.12Å; V1133-V1149 PolarHBondContact N-O 3.4Å; V1133-V1149 PolarHBondContact O-N 3.27Å
1134	D	33.6	Very low	34.1	Very low	91 Å²	91	114.3 Å²	114.3	49%	0.487	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.8	97.7	177.7	-82.5	-33.9	0	0	0	111.4	K1136 T1148	D1134-K1136 PolarHBondContact O-N 2.82Å; D1134-T1148 VanDerWaalsContact OD1-CB 3.29Å; D1134-T1148 WeakPolarHBondContact OD1-CB 3.2Å; D1134-T1148 WeakPolarHBondContact OD1-CG2 3.4Å; D1134-T1148 PolarHBondContact OD1-OG1 3.06Å
1135	Y	28.7	Very low	33.5	Very low	133 Å²	133	108.9 Å²	108.9	52%	0.522	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78	113.1	175.5	-68.2	-87.7	0	0	0	111.1	V1133 V1146 N1147 V1149	V1133-Y1135 HydrophobicContact CB-CD2 4.45Å; V1133-Y1135 HydrophobicContact CB-CE2 3.88Å; V1133-Y1135 HydrophobicContact CG1-CD2 4.02Å; V1133-Y1135 HydrophobicContact CG1-CE1 4.31Å; V1133-Y1135 HydrophobicContact CG1-CE2 3.53Å; Y1135-V1146 WeakPolarHBondContact O-CA 3.35Å; Y1135-N1147 PolarHBondContact N-O 2.79Å; Y1135-N1147 PolarHBondContact O-N 3.14Å; Y1135-V1149 HydrophobicContact CD2-CB 4.45Å; Y1135-V1149 HydrophobicContact CD2-CG2 3.86Å; Y1135-V1149 HydrophobicContact CE2-CB 4.17Å; Y1135-V1149 HydrophobicContact CE2-CG2 3.86Å
1136	K	33.1	Very low	33	Very low	162 Å²	162	103.4 Å²	103.4	70%	0.704	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	89.4	174	-77.1	169.2	-178	160.4	0	111.1	D1134 C1145 V1146	D1134-K1136 PolarHBondContact O-N 2.82Å; K1136-C1145 WeakPolarHBondContact CA-O 3.42Å; K1136-V1146 HydrophobicContact CG-CG2 4.27Å
1137	A	30.9	Very low	32.6	Very low	60 Å²	60	102.7 Å²	102.7	50%	0.496	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.6	172.1	0	0	0	0	0	110.3	C1145	A1137-C1145 HydrophobicContact CB-CB 4.28Å; A1137-C1145 PolarHBondContact N-O 3.03Å; A1137-C1145 PolarHBondContact O-N 3Å
1138	V	30.5	Very low	32.3	Very low	120 Å²	120	99.9 Å²	99.9	73%	0.727	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	104.9	172.6	-179.4	0	0	0	0	108.4
1139	H	34	Very low	32.3	Very low	131 Å²	131	97.6 Å²	97.6	61%	0.606	52%	0.524	S	S	*	.			trans	-72.2	144.9	172.9	-139.4	-84.2	0	0	0	109.7	N1141 V1143	H1139-N1141 PolarHBondContact O-N 3.47Å; H1139-V1143 PolarHBondContact N-O 2.85Å
1140	A	35.7	Very low	32.2	Very low	97 Å²	97	98.9 Å²	98.9	80%	0.802	53%	0.53	S	S	*	.	S	Bend	trans	-53.4	-32.8	-179	0	0	0	0	0	113
1141	N	33.7	Very low	32.1	Very low	133 Å²	133	101 Å²	101	71%	0.711	54%	0.541	S	S	*	.	S	Bend	trans	-102.8	78.6	178.3	-65.1	-6.6	0	0	0	111.4	H1139 V1143	H1139-N1141 PolarHBondContact O-N 3.47Å; N1141-V1143 VanDerWaalsContact C-N 3.3Å; N1141-V1143 PolarHBondContact O-N 3.47Å
1142	R	29.2	Very low	32.3	Very low	256 Å²	256	104.8 Å²	104.8	97%	0.966	56%	0.556	S	S	*	*	S	Bend	trans	51.6	20.4	156.9	-69.1	-170	174.6	-176.4	1.6	119.6
1143	V	28.7	Very low	32.5	Very low	83 Å²	83	106 Å²	106	50%	0.503	56%	0.563	S	S	.	*			trans	-110.8	124.1	169.9	-173.4	0	0	0	0	110.7	H1139 N1141	H1139-V1143 PolarHBondContact N-O 2.85Å; N1141-V1143 VanDerWaalsContact C-N 3.3Å; N1141-V1143 PolarHBondContact O-N 3.47Å
1144	K	29.2	Very low	32.7	Very low	180 Å²	180	107.4 Å²	107.4	78%	0.783	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.6	102.4	167.1	-73.1	-177.9	177.8	178.1	0	108.5
1145	C	28.9	Very low	32.8	Very low	51 Å²	51	107.9 Å²	107.9	35%	0.345	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	125	169.8	-61.4	0	0	0	0	108.8	K1136 A1137	K1136-C1145 WeakPolarHBondContact CA-O 3.42Å; A1137-C1145 HydrophobicContact CB-CB 4.28Å; A1137-C1145 PolarHBondContact N-O 3.03Å; A1137-C1145 PolarHBondContact O-N 3Å
1146	V	33.7	Very low	33.1	Very low	81 Å²	81	108.6 Å²	108.6	49%	0.491	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.9	107.6	170.2	-174.7	0	0	0	0	107.2	Y1135 K1136	Y1135-V1146 WeakPolarHBondContact O-CA 3.35Å; K1136-V1146 HydrophobicContact CG-CG2 4.27Å
1147	N	31.1	Very low	33.3	Very low	105 Å²	105	111.7 Å²	111.7	56%	0.561	60%	0.596	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.3	102.8	177.2	-74.2	15.7	0	0	0	109	Y1135	Y1135-N1147 PolarHBondContact N-O 2.79Å; Y1135-N1147 PolarHBondContact O-N 3.14Å
1148	T	34	Very low	33.5	Very low	83 Å²	83	117.5 Å²	117.5	51%	0.509	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.7	123.9	172.5	-48.6	0	0	0	0	109.8	T1132 V1133 D1134	T1132-T1148 HydrophobicContact CG2-CG2 3.98Å; V1133-T1148 WeakPolarHBondContact O-CA 3.12Å; D1134-T1148 VanDerWaalsContact OD1-CB 3.29Å; D1134-T1148 WeakPolarHBondContact OD1-CB 3.2Å; D1134-T1148 WeakPolarHBondContact OD1-CG2 3.4Å; D1134-T1148 PolarHBondContact OD1-OG1 3.06Å
1149	V	30.3	Very low	33.5	Very low	68 Å²	68	122.7 Å²	122.7	41%	0.412	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.8	123.2	174.3	179.4	0	0	0	0	108.8	T1132 V1133 Y1135 V1151	T1132-V1149 CarbonylContact C-O 3.47Å; T1132-V1149 WeakPolarHBondContact CA-O 3.44Å; V1133-V1149 PolarHBondContact N-O 3.4Å; V1133-V1149 PolarHBondContact O-N 3.27Å; Y1135-V1149 HydrophobicContact CD2-CB 4.45Å; Y1135-V1149 HydrophobicContact CD2-CG2 3.86Å; Y1135-V1149 HydrophobicContact CE2-CB 4.17Å; Y1135-V1149 HydrophobicContact CE2-CG2 3.86Å; V1149-V1151 HydrophobicContact CG1-CG2 4.35Å
1150	T	35.7	Very low	33.3	Very low	73 Å²	73	123 Å²	123	45%	0.448	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.8	119.1	175.7	-51.5	0	0	0	0	109.7	V1131 T1132	V1131-T1150 WeakPolarHBondContact O-CA 3.35Å; T1132-T1150 HydrophobicContact CG2-CG2 4.07Å; T1132-T1150 VanDerWaalsContact CG2-OG1 3.23Å; T1132-T1150 WeakPolarHBondContact CG2-OG1 3.44Å
1151	V	33.4	Very low	33	Very low	71 Å²	71	120.9 Å²	120.9	43%	0.43	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.2	125.9	173.2	-177	0	0	0	0	108.9	S1130 V1131 V1149 V1153	S1130-V1151 WeakPolarHBondContact CA-O 3.48Å; V1131-V1151 PolarHBondContact N-O 3.41Å; V1131-V1151 PolarHBondContact O-N 2.92Å; V1149-V1151 HydrophobicContact CG1-CG2 4.35Å; V1151-V1153 HydrophobicContact CG1-CG2 4.27Å
1152	H	37.4	Very low	33	Very low	125 Å²	125	121.6 Å²	121.6	58%	0.579	63%	0.633	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.3	123.8	170.9	-72	-80	0	0	0	110
1153	V	37.2	Very low	32.9	Very low	67 Å²	67	121.1 Å²	121.1	41%	0.406	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.9	121.6	177.3	-178	0	0	0	0	108.8	Y1128 S1129 V1151 N1155	Y1128-V1153 VanDerWaalsContact CA-O 3.32Å; Y1128-V1153 WeakPolarHBondContact CA-O 3.42Å; S1129-V1153 PolarHBondContact N-O 3.32Å; S1129-V1153 PolarHBondContact O-N 3.49Å; S1129-V1153 PolarHBondContact OG-O 3.03Å; V1151-V1153 HydrophobicContact CG1-CG2 4.27Å; V1153-N1155 PolarHBondContact O-N 3.26Å
1154	P	37	Very low	33	Very low	85 Å²	85	127.1 Å²	127.1	55%	0.552	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.1	130.9	174.2	-21.4	33.5	0	0	0	111.4	D1156	P1154-D1156 VanDerWaalsContact C-N 3.32Å; P1154-D1156 PolarHBondContact O-N 3.49Å
1155	N	36.1	Very low	32.8	Very low	102 Å²	102	123.2 Å²	123.2	55%	0.545	65%	0.652	S	S	.	*			trans	-88.7	68.1	-172.9	-152.3	-7.1	0	0	0	111.4	E1127 V1153 R1157	E1127-N1155 WeakPolarHBondContact O-CB 3.33Å; E1127-N1155 PolarHBondContact O-N 2.96Å; E1127-N1155 VanDerWaalsContact O-N 3.14Å; V1153-N1155 PolarHBondContact O-N 3.26Å; N1155-R1157 PolarHBondContact O-N 3.18Å
1156	D	36.2	Very low	32.9	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	68%	0.679	S	S	*	*			trans	-73.7	63.3	-169.4	-122.5	-20.3	0	0	0	113.3	P1154	P1154-D1156 VanDerWaalsContact C-N 3.32Å; P1154-D1156 PolarHBondContact O-N 3.49Å
1157	R	36.1	Very low	32.5	Very low	227 Å²	227	128.1 Å²	128.1	86%	0.857	69%	0.69	S	S	*	*			trans	-107.2	7.6	-172.6	-145.9	174.2	-172.2	169.1	4.5	115	N1155	N1155-R1157 PolarHBondContact O-N 3.18Å
1158	E	34.8	Very low	32.2	Very low	182 Å²	182	131.4 Å²	131.4	85%	0.85	71%	0.706	S	S	*	*	S	Bend	trans	-149.1	62.9	-175.5	-151	173.9	-105.1	0	0	115.1
1159	R	31.9	Very low	31.8	Very low	229 Å²	229	131.7 Å²	131.7	86%	0.864	72%	0.717	S	S	*	*			trans	-151	40.6	170.8	-118.8	162.7	-151.9	-155.1	4.8	117.7	G1161	R1159-G1161 PolarHBondContact O-N 3.43Å
1160	S	28.9	Very low	31.6	Very low	138 Å²	138	135 Å²	135	97%	0.965	74%	0.737	S	S	*	*			trans	-73.1	58.5	171.2	46.8	0	0	0	0	113.5
1161	G	30.3	Very low	31.2	Very low	51 Å²	51	138.9 Å²	138.9	53%	0.526	76%	0.755	S	S	.	*			trans	-162.1	138.1	-176.9	0	0	0	0	0	117	R1159	R1159-G1161 PolarHBondContact O-N 3.43Å
1162	T	33.5	Very low	31	Very low	148 Å²	148	141.1 Å²	141.1	91%	0.908	77%	0.769	S	S	*	*			trans	60.1	106.9	165.7	55.3	0	0	0	0	119.2
1163	R	27.5	Very low	30.8	Very low	247 Å²	247	141.2 Å²	141.2	93%	0.932	78%	0.781	S	S	*	*			trans	-67.6	129.6	160.4	-65.3	170	171.9	167.1	-4.9	110.9
1164	K	29.6	Very low	30.4	Very low	208 Å²	208	143.6 Å²	143.6	90%	0.904	80%	0.8	S	S	*	*			trans	-167.3	150	138.8	-112.4	169.5	-175.5	179.9	0	111.4
1165	A	26.2	Very low	30.4	Very low	99 Å²	99	145.6 Å²	145.6	82%	0.818	82%	0.816	S	S	*	*			trans	-98.8	136.6	179.7	0	0	0	0	0	111.3
1166	T	30.5	Very low	30	Very low	148 Å²	148	144 Å²	144	91%	0.908	82%	0.824	S	S	*	*			trans	-152.3	151.4	160	9.3	0	0	0	0	108
1167	A	24.8	Very low	30	Very low	87 Å²	87	147.4 Å²	147.4	72%	0.719	83%	0.831	S	S	*	*			trans	-107.7	178.6	-178.8	0	0	0	0	0	111.5
1168	L	24.5	Very low	29.9	Very low	174 Å²	174	140.7 Å²	140.7	91%	0.911	83%	0.825	S	S	*	*			trans	84.1	160.3	166.1	-57.9	168.2	0	0	0	118.3
1169	A	26.7	Very low	29.9	Very low	89 Å²	89	138.5 Å²	138.5	74%	0.736	82%	0.819	S	S	*	*			trans	84.3	117.4	172	0	0	0	0	0	117.6
1170	V	25.2	Very low	30	Very low	137 Å²	137	134.6 Å²	134.6	83%	0.83	82%	0.815	S	S	*	*			trans	-94.6	127.9	154.7	171.7	0	0	0	0	106.1	V1172	V1170-V1172 HydrophobicContact CG1-CG2 4.36Å
1171	D	28.5	Very low	30.1	Very low	154 Å²	154	131.9 Å²	131.9	82%	0.824	81%	0.809	S	S	*	*			trans	-117	131	171.1	-94.2	-49.2	0	0	0	110
1172	V	28.6	Very low	30	Very low	119 Å²	119	141.4 Å²	141.4	72%	0.721	83%	0.829	S	S	*	*			trans	-118.9	119.2	173.2	176.9	0	0	0	0	107.8	V1170 S1174	V1170-V1172 HydrophobicContact CG1-CG2 4.36Å; V1172-S1174 PolarHBondContact O-N 2.93Å
1173	P	31.9	Very low	29.9	Very low	127 Å²	127	139.7 Å²	139.7	83%	0.825	82%	0.823	S	S	*	*			trans	-76.3	125.2	-177.7	29.8	-33.4	0	0	0	111.1
1174	S	29.1	Very low	29.8	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	81%	0.811	S	S	*	*			trans	-122.7	126.9	175.2	68.7	0	0	0	0	112.8	V1172	V1172-S1174 PolarHBondContact O-N 2.93Å
1175	S	36.6	Very low	29.9	Very low	126 Å²	126	128 Å²	128	88%	0.881	81%	0.805	S	S	*	*			trans	-153.9	144.3	158.2	67.7	0	0	0	0	108.9
1176	G	29.5	Very low	30.1	Very low	69 Å²	69	130.4 Å²	130.4	71%	0.711	80%	0.8	S	S	*	*			cis	152.2	112.2	-11.9	0	0	0	0	0	113.1
1177	K	36.2	Very low	29.7	Very low	219 Å²	219	128.4 Å²	128.4	95%	0.952	80%	0.798	S	S	*	*			trans	-170.6	150.6	144.3	-103.9	157.2	-169.8	178.6	0	111.3
1178	A	32.9	Very low	29.8	Very low	86 Å²	86	130.2 Å²	130.2	71%	0.711	80%	0.795	S	S	*	*			trans	-81.5	171	-169.6	0	0	0	0	0	112.2
1179	N	35.4	Very low	29.9	Very low	136 Å²	136	128.1 Å²	128.1	73%	0.727	78%	0.783	S	S	*	*				-151.8	153	62.4	-99.9	37.4	0	0	0	115.6
1180	D	33.7	Very low	29.8	Very low	147 Å²	147	131 Å²	131	79%	0.786	79%	0.785	S	S	*	*			trans	47	115.2	145.3	-54.2	-41.7	0	0	0	121.8
1181	G	31.4	Very low	29.9	Very low	81 Å²	81	129.8 Å²	129.8	84%	0.835	78%	0.783	S	S	*	*			trans	179.5	67.3	171.4	0	0	0	0	0	113.9
1182	R	27.9	Very low	29.9	Very low	251 Å²	251	130.5 Å²	130.5	95%	0.947	78%	0.781	S	S	*	*			trans	-52.5	130.3	-170.2	-67.3	174.7	173.6	171.8	-3	116
1183	S	30.6	Very low	29.9	Very low	113 Å²	113	133.8 Å²	133.8	79%	0.79	79%	0.785	S	S	*	*				146.3	103.6	128.9	-164.5	0	0	0	0	109.8
1184	S	26.6	Very low	29.5	Very low	96 Å²	96	135.6 Å²	135.6	67%	0.671	79%	0.787	S	S	*	*				83	76.8	62	-162.2	0	0	0	0	115.2
1185	S	31.3	Very low	29.6	Very low	112 Å²	112	135.8 Å²	135.8	78%	0.783	78%	0.784	S	S	*	*			trans	-156.7	104.2	138	-81.8	0	0	0	0	108
1186	Q	29.7	Very low	29.1	Very low	151 Å²	151	134.1 Å²	134.1	71%	0.706	78%	0.778	S	S	*	*				81.3	84.5	79.2	-78.5	-169.8	45.4	0	0	113.1	L1188	Q1186-L1188 HydrophobicContact CB-CD1 4.15Å; Q1186-L1188 PolarHBondContact O-N 3.02Å
1187	A	23.4	Very low	29	Very low	106 Å²	106	135.4 Å²	135.4	88%	0.876	78%	0.782	S	S	*	*			trans	-76.2	109.4	160.2	0	0	0	0	0	109.7
1188	L	26.3	Very low	28.8	Very low	125 Å²	125	130.3 Å²	130.3	65%	0.654	77%	0.771	S	S	*	*			trans	-97.7	118.5	164.3	-83.4	102.2	0	0	0	108.6	Q1186	Q1186-L1188 HydrophobicContact CB-CD1 4.15Å; Q1186-L1188 PolarHBondContact O-N 3.02Å
1189	I	27.2	Very low	28.5	Very low	130 Å²	130	135.7 Å²	135.7	67%	0.667	78%	0.778	S	S	*	*				74	100.1	83.1	-67.8	169.8	0	0	0	112.4
1190	I	25	Very low	28.3	Very low	148 Å²	148	140.3 Å²	140.3	76%	0.759	79%	0.786	S	S	*	*			trans	26.4	117.1	130.2	-48.2	165.9	0	0	0	116.3
1191	S	27.2	Very low	28	Very low	113 Å²	113	138.5 Å²	138.5	79%	0.79	79%	0.785	S	S	*	*			trans	-155.9	120	141.9	-84.1	0	0	0	0	111.8
1192	E	26.8	Very low	28.1	Very low	168 Å²	168	140.5 Å²	140.5	79%	0.785	78%	0.776	S	S	*	*			trans	-63.2	146.2	156.8	-59.7	170.3	97.2	0	0	109.5
1193	K	28.7	Very low	28.5	Very low	188 Å²	188	135.3 Å²	135.3	82%	0.817	77%	0.767	S	S	*	*			trans	-147.7	72.6	155.5	-121	160.9	-169.1	169.1	0	113.3	T1195	K1193-T1195 PolarHBondContact O-N 3Å
1194	L	24.3	Very low	28.9	Very low	166 Å²	166	133.9 Å²	133.9	87%	0.869	76%	0.756	S	S	*	*			trans	-64.2	93.7	158.6	-88.4	162.4	0	0	0	110
1195	T	30.5	Very low	29.4	Very low	121 Å²	121	132.8 Å²	132.8	74%	0.742	75%	0.749	S	S	*	*			trans	-140.9	122.8	164.1	49.5	0	0	0	0	110.3	K1193	K1193-T1195 PolarHBondContact O-N 3Å
1196	A	26.4	Very low	29.7	Very low	91 Å²	91	136.8 Å²	136.8	75%	0.752	75%	0.747	S	S	*	*			cis	168.3	147.6	-29.8	0	0	0	0	0	106.1
1197	A	27.1	Very low	30.4	Very low	96 Å²	96	137 Å²	137	79%	0.793	75%	0.746	S	S	*	*			trans	72.5	154.2	166.2	0	0	0	0	0	118
1198	P	33.5	Very low	31.2	Very low	112 Å²	112	137.1 Å²	137.1	73%	0.727	73%	0.731	S	S	*	*			cis	-133.3	144.8	-21.4	30	-10.7	0	0	0	116
1199	F	26.3	Very low	31.9	Very low	198 Å²	198	136.2 Å²	136.2	87%	0.868	73%	0.726	S	S	*	*			trans	27.9	129	139.7	-69.3	-100.2	0	0	0	120.8
1200	R	29.9	Very low	33.1	Very low	233 Å²	233	135.2 Å²	135.2	88%	0.879	72%	0.721	S	S	*	*				-165	136.9	87.3	-99.9	178.4	-175.8	-169.6	0.2	114.3
1201	S	29.1	Very low	34.2	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	72%	0.721	S	S	*	*			trans	30	112.9	153.4	56.8	0	0	0	0	121
1202	D	32.2	Very low	35.1	Very low	123 Å²	123	139 Å²	139	66%	0.658	71%	0.713	S	S	*	*				-146.2	136.9	93.4	-159.6	-26.6	0	0	0	110.7	S1204	D1202-S1204 WeakPolarHBondContact OD1-CB 3.32Å; D1202-S1204 PolarHBondContact OD1-N 3.33Å
1203	L	35.7	Very low	36.1	Very low	142 Å²	142	135.9 Å²	135.9	74%	0.743	70%	0.701	S	S	*	*			trans	-97.6	-9.8	179.3	-91.9	159.8	0	0	0	113.3
1204	S	39.3	Very low	36.6	Very low	82 Å²	82	132 Å²	132	57%	0.573	69%	0.689	S	S	*	*	H	α-helix	trans	-69.3	-47.9	-176.9	-156.4	0	0	0	0	112.1	D1202 R1206 K1207 L1208	D1202-S1204 WeakPolarHBondContact OD1-CB 3.32Å; D1202-S1204 PolarHBondContact OD1-N 3.33Å; S1204-R1206 VanDerWaalsContact C-N 3.31Å; S1204-R1206 PolarHBondContact O-N 2.9Å; S1204-K1207 PolarHBondContact O-N 3.04Å; S1204-L1208 PolarHBondContact O-N 2.92Å
1205	S	38.4	Very low	37.5	Very low	73 Å²	73	131.3 Å²	131.3	51%	0.51	68%	0.679	S	S	.	*	H	α-helix	trans	-60.5	-34.4	-175.2	-48.7	0	0	0	0	113.8	L1208 L1209	S1205-L1208 PolarHBondContact O-N 2.92Å; S1205-L1209 PolarHBondContact O-N 3.13Å
1206	R	37.3	Very low	37.9	Very low	197 Å²	197	130.8 Å²	130.8	74%	0.743	67%	0.671	S	S	*	*	H	α-helix	trans	-68.7	-33.6	176.2	-108.6	-178.6	176.6	178.3	-0.8	112.9	S1204 L1210	S1204-R1206 VanDerWaalsContact C-N 3.31Å; S1204-R1206 PolarHBondContact O-N 2.9Å; R1206-L1210 WeakPolarHBondContact O-CB 3.47Å; R1206-L1210 PolarHBondContact O-N 2.87Å
1207	K	43.5	Very low	38.2	Very low	156 Å²	156	134.4 Å²	134.4	68%	0.678	67%	0.666	S	S	*	*	H	α-helix	trans	-71.2	-32.4	172.9	-74.3	-176.3	176.4	178.4	0	112	S1204 R1211	S1204-K1207 PolarHBondContact O-N 3.04Å; K1207-R1211 WeakPolarHBondContact O-CB 3.42Å; K1207-R1211 WeakPolarHBondContact O-CG 3.46Å; K1207-R1211 PolarHBondContact O-N 2.91Å
1208	L	41.1	Very low	38.8	Very low	107 Å²	107	134.3 Å²	134.3	56%	0.56	66%	0.659	S	S	*	*	H	α-helix	trans	-69.7	-43.6	174.7	-166.3	67.3	0	0	0	111.6	S1204 S1205 R1211 K1212	S1204-L1208 PolarHBondContact O-N 2.92Å; S1205-L1208 PolarHBondContact O-N 2.92Å; L1208-R1211 PolarHBondContact O-N 3.12Å; L1208-K1212 PolarHBondContact O-N 2.86Å
1209	L	41.3	Very low	39.1	Very low	107 Å²	107	133.9 Å²	133.9	56%	0.56	65%	0.651	S	S	*	*	H	α-helix	trans	-61.7	-46.1	173.9	-91.3	162.2	0	0	0	112.6	S1205 R1211 K1212 L1213	S1205-L1209 PolarHBondContact O-N 3.13Å; L1209-R1211 VanDerWaalsContact C-N 3.3Å; L1209-R1211 PolarHBondContact O-N 3.36Å; L1209-K1212 PolarHBondContact O-N 2.91Å; L1209-L1213 WeakPolarHBondContact O-CB 3.46Å; L1209-L1213 PolarHBondContact O-N 3.46Å
1210	L	50.5	Low	39.5	Very low	108 Å²	108	131.2 Å²	131.2	57%	0.565	65%	0.645	S	S	*	*	H	α-helix	trans	-63.7	-33	175.6	-83.7	161.4	0	0	0	112.9	R1206 N1214	R1206-L1210 WeakPolarHBondContact O-CB 3.47Å; R1206-L1210 PolarHBondContact O-N 2.87Å; L1210-N1214 WeakPolarHBondContact O-CB 3.48Å; L1210-N1214 PolarHBondContact O-N 3.09Å
1211	R	48.6	Very low	40.1	Very low	200 Å²	200	125.9 Å²	125.9	76%	0.755	63%	0.633	S	S	*	*	H	α-helix	trans	-68.9	-43.6	171.4	-82.6	-178.9	167.9	174.6	-4.7	112.4	K1207 L1208 L1209 F1215	K1207-R1211 WeakPolarHBondContact O-CB 3.42Å; K1207-R1211 WeakPolarHBondContact O-CG 3.46Å; K1207-R1211 PolarHBondContact O-N 2.91Å; L1208-R1211 PolarHBondContact O-N 3.12Å; L1209-R1211 VanDerWaalsContact C-N 3.3Å; L1209-R1211 PolarHBondContact O-N 3.36Å; R1211-F1215 WeakPolarHBondContact O-CB 3.35Å; R1211-F1215 PolarHBondContact O-N 2.6Å
1212	K	46.7	Very low	40.5	Very low	141 Å²	141	126.7 Å²	126.7	61%	0.613	66%	0.658	S	S	*	*	H	α-helix	trans	-63.1	-42.6	175.5	-75.3	-169.1	173.1	-167.8	0	112	L1208 L1209 F1215 L1216	L1208-K1212 PolarHBondContact O-N 2.86Å; L1209-K1212 PolarHBondContact O-N 2.91Å; K1212-F1215 PolarHBondContact O-N 2.85Å; K1212-L1216 PolarHBondContact O-N 2.83Å
1213	L	46.9	Very low	40.9	Very low	103 Å²	103	126.9 Å²	126.9	54%	0.539	66%	0.658	S	S	.	*	H	α-helix	trans	-65	-45.1	176.6	-81.2	162.5	0	0	0	112.4	L1209 F1215 L1216 Y1217	L1209-L1213 WeakPolarHBondContact O-CB 3.46Å; L1209-L1213 PolarHBondContact O-N 3.46Å; L1213-F1215 VanDerWaalsContact C-N 3.29Å; L1213-F1215 PolarHBondContact O-N 2.7Å; L1213-L1216 PolarHBondContact O-N 3.11Å; L1213-Y1217 WeakPolarHBondContact O-CB 3.23Å; L1213-Y1217 PolarHBondContact O-N 3.08Å
1214	N	40.5	Very low	41.1	Very low	105 Å²	105	126.1 Å²	126.1	56%	0.561	65%	0.653	S	S	*	*	H	α-helix	trans	-64.2	-34.4	173.6	-80.6	4.1	0	0	0	112.3	L1210 Y1217 C1218	L1210-N1214 WeakPolarHBondContact O-CB 3.48Å; L1210-N1214 PolarHBondContact O-N 3.09Å; N1214-Y1217 PolarHBondContact O-N 2.92Å; N1214-C1218 WeakPolarHBondContact O-CB 3.49Å; N1214-C1218 PolarHBondContact O-N 3.44Å; N1214-C1218 PolarHBondContact O-SG 3.3Å; N1214-C1218 VanDerWaalsContact O-SG 3.38Å
1215	F	41.8	Very low	41.3	Very low	152 Å²	152	128.5 Å²	128.5	67%	0.667	66%	0.658	S	S	*	*	H	α-helix	trans	-67.7	-37.9	176.7	-156.8	-95.1	0	0	0	111.9	R1211 K1212 L1213 N1219	R1211-F1215 WeakPolarHBondContact O-CB 3.35Å; R1211-F1215 PolarHBondContact O-N 2.6Å; K1212-F1215 PolarHBondContact O-N 2.85Å; L1213-F1215 VanDerWaalsContact C-N 3.29Å; L1213-F1215 PolarHBondContact O-N 2.7Å; F1215-N1219 WeakPolarHBondContact CD1-ND2 3.36Å; F1215-N1219 WeakPolarHBondContact CE1-ND2 3.48Å; F1215-N1219 PolarHBondContact O-N 3.3Å; F1215-N1219 PolarHBondContact O-ND2 3.4Å
1216	L	39.3	Very low	41.4	Very low	110 Å²	110	131.8 Å²	131.8	58%	0.576	67%	0.666	S	S	*	*	H	α-helix	trans	-64.7	-47	169.2	-84.6	156.4	0	0	0	111.7	K1212 L1213 C1218 N1219 L1220	K1212-L1216 PolarHBondContact O-N 2.83Å; L1213-L1216 PolarHBondContact O-N 3.11Å; L1216-C1218 VanDerWaalsContact C-N 3.31Å; L1216-C1218 PolarHBondContact O-N 2.99Å; L1216-N1219 PolarHBondContact O-N 3.08Å; L1216-N1219 VanDerWaalsContact O-N 3.09Å; L1216-L1220 WeakPolarHBondContact O-CD1 3.33Å; L1216-L1220 PolarHBondContact O-N 3.44Å
1217	Y	32.1	Very low	41.7	Very low	167 Å²	167	127.7 Å²	127.7	66%	0.655	66%	0.662	S	S	*	*	H	α-helix	trans	-65.2	-31.5	-177.2	-152	-95.7	0	0	0	113.2	L1213 N1214 I1221	L1213-Y1217 WeakPolarHBondContact O-CB 3.23Å; L1213-Y1217 PolarHBondContact O-N 3.08Å; N1214-Y1217 PolarHBondContact O-N 2.92Å; Y1217-I1221 HydrophobicContact CD1-CD1 3.62Å; Y1217-I1221 HydrophobicContact CE1-CD1 3.38Å; Y1217-I1221 HydrophobicContact CG-CD1 4.48Å; Y1217-I1221 WeakPolarHBondContact O-CD1 3.34Å; Y1217-I1221 WeakPolarHBondContact O-CG1 3.29Å
1218	C	39.8	Very low	41.6	Very low	94 Å²	94	125.8 Å²	125.8	64%	0.635	66%	0.66	S	S	*	*	H	α-helix	trans	-76.2	-25.6	173.2	-72.1	0	0	0	0	113.8	N1214 L1216	N1214-C1218 WeakPolarHBondContact O-CB 3.49Å; N1214-C1218 PolarHBondContact O-N 3.44Å; N1214-C1218 PolarHBondContact O-SG 3.3Å; N1214-C1218 VanDerWaalsContact O-SG 3.38Å; L1216-C1218 VanDerWaalsContact C-N 3.31Å; L1216-C1218 PolarHBondContact O-N 2.99Å
1219	N	41.6	Very low	41.6	Very low	103 Å²	103	127.1 Å²	127.1	55%	0.551	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	3.4	176.6	-73.6	-70.2	0	0	0	113.5	F1215 L1216	F1215-N1219 WeakPolarHBondContact CD1-ND2 3.36Å; F1215-N1219 WeakPolarHBondContact CE1-ND2 3.48Å; F1215-N1219 PolarHBondContact O-N 3.3Å; F1215-N1219 PolarHBondContact O-ND2 3.4Å; L1216-N1219 PolarHBondContact O-N 3.08Å; L1216-N1219 VanDerWaalsContact O-N 3.09Å
1220	L	34.4	Very low	41.6	Very low	143 Å²	143	128.7 Å²	128.7	75%	0.749	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	5.2	170.1	-95.9	82.3	0	0	0	113.2	L1216	L1216-L1220 WeakPolarHBondContact O-CD1 3.33Å; L1216-L1220 PolarHBondContact O-N 3.44Å
1221	I	42.4	Very low	40.9	Very low	121 Å²	121	130.4 Å²	130.4	62%	0.621	69%	0.685	S	S	*	*			trans	-128.5	1.7	-171.6	-65.9	-179.2	0	0	0	112.3	Y1217	Y1217-I1221 HydrophobicContact CD1-CD1 3.62Å; Y1217-I1221 HydrophobicContact CE1-CD1 3.38Å; Y1217-I1221 HydrophobicContact CG-CD1 4.48Å; Y1217-I1221 WeakPolarHBondContact O-CD1 3.34Å; Y1217-I1221 WeakPolarHBondContact O-CG1 3.29Å
1222	G	36.2	Very low	40.2	Very low	126 Å²	126	124.1 Å²	124.1	100%	1.299	68%	0.679	S	S	*	*			trans	-124.4	0	170.5	0	0	0	0	0	110.9

Retrieved 1,222 of 1,222 residues in 1753.8 ms (Link to these results)

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