A0A096NUY6_PAPAN Loading...

Alpha-1,4 glucan phosphorylase

Allosteric enzyme that catalyzes the rate-limiting step in glycogen catabolism, the phosphorolytic cleavage of glycogen to produce glucose-1-phosphate, and plays a central role in maintaining cellular and organismal glucose homeostasis.

AlphaFold DB (A0A0D9RRG2), UniProt , Accession A0A096NUY6, Species PAPAN (Papio anubis, Olive baboon), Gene PYGL, Length 847 aa.

						>A0A096NUY6_PAPAN|A0A096NUY6|PYGL
MAKPLTDQEKRRQISIRGIVGVENVAELKKGFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYDKCPKRVYYLSLEFYMGRTLQNTMINLGLQNACDEAIYQLGLDIEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEYGIFNQKIRDGWQVEEADDWLRYGNPWEKSRPEFMLPVHFYGKVEHTNTGTKWIDTQVVLALPYDTPVPGYMNNTVNTMRLWSARAPNDFNLRDFNVGDYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKASKFGSTRGAGTVFDAFPDQVAIQLNDTHPALAIPELMRIFVDIEKLPWSKAWELTQKTFAYTNHTVLPEALERWPVDLVEKLLPRHLEIIYEINQKHLDKIVALFPKDVDRLRRMSLIEEEGSKRINMAHLCIVGSHTVNGVAKIHSDIVKTKVFKDFSELEPDKFQNKTNGITPRRWLLLCNPGLAELIAEKIGEDYVKDLSQLTKLHSFLGDDIFLRELAKVKQENKLKFSQFLEKEYKVKINPSSMFDVQVKRIHEYKRQLLNCLHVITMYNRIKKDPKKLFVPRTVIIGGKAAPGYHMAKMIIKLITSVADVVNNDPMVGSKLKVIFLENYRVSLAEKVIPATDLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENLFIFGMRVDDVAALDKKGYEAKEYYEALPELKLVIDQIDNGFFSPKQPDLFKDIINMLFYHDRFKVFADYEAYVKCQDKVSQLYMNPKAWNTMVLKNIAASGKFSSDRTIKEYAQNIWNVEPSDLKISLSNESNKVNGN
					

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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	39.3	Very low	42.3	Very low	249 Å²	249	138.7 Å²	138.7	100%	1.227	71%	0.706	S	S	*	*				0	127.3	0	-74.9	-175.4	-140.1	0	0	108.4
2	A	34.2	Very low	42.2	Very low	106 Å²	106	140.2 Å²	140.2	88%	0.876	70%	0.696	S	S	*	*			trans	-143.1	113	148.3	0	0	0	0	0	106.9
3	K	38.7	Very low	42.5	Very low	201 Å²	201	141.3 Å²	141.3	87%	0.874	70%	0.698	S	S	*	*			trans	-133.7	146.4	151	-115.2	-168.2	176.8	-175.9	0	104.9
4	P	43.2	Very low	43.1	Very low	101 Å²	101	132.7 Å²	132.7	66%	0.656	66%	0.656	S	S	*	*			cis	-140.6	-177.3	-5.1	36.9	-16.2	0	0	0	113.5
5	L	36	Very low	43.8	Very low	103 Å²	103	128.1 Å²	128.1	54%	0.539	64%	0.642	S	S	.	*			trans	-124	140.1	142.3	-79.3	167.4	0	0	0	106.3	K10	L5-K10 HydrophobicContact CD1-CD 4.12Å; L5-K10 VanDerWaalsContact CD1-CE 3.47Å; L5-K10 HydrophobicContact CD1-CG 4.39Å
6	T	58.9	Low	44.2	Very low	68 Å²	68	120.8 Å²	120.8	42%	0.417	61%	0.605	S	S	.	*			trans	-95.3	145.3	165.7	83.6	0	0	0	0	109.5	Q8 E9	T6-Q8 VanDerWaalsContact C-N 3.25Å; T6-Q8 PolarHBondContact O-N 2.73Å; T6-Q8 VanDerWaalsContact O-N 3.15Å; T6-E9 PolarHBondContact N-OE2 3.29Å; T6-E9 WeakPolarHBondContact O-CA 3.25Å; T6-E9 WeakPolarHBondContact O-CB 3.4Å; T6-E9 PolarHBondContact O-N 3.21Å; T6-E9 VanDerWaalsContact OG1-CG 3.25Å; T6-E9 WeakPolarHBondContact OG1-CG 3.33Å; T6-E9 PolarHBondContact OG1-OE1 3.15Å; T6-E9 PolarHBondContact OG1-OE2 3.37Å
7	D	42.5	Very low	44.7	Very low	156 Å²	156	116.5 Å²	116.5	83%	0.834	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-74.4	-11.7	-160	-66.9	-41.1	0	0	0	115.1	E9	D7-E9 VanDerWaalsContact C-N 3.28Å
8	Q	42.1	Very low	45.3	Very low	125 Å²	125	111.7 Å²	111.7	58%	0.584	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-72.3	-23.9	166.3	-150.7	172.7	-9.2	0	0	111.6	T6 K10 R11	T6-Q8 VanDerWaalsContact C-N 3.25Å; T6-Q8 PolarHBondContact O-N 2.73Å; T6-Q8 VanDerWaalsContact O-N 3.15Å; Q8-K10 PolarHBondContact O-N 2.71Å; Q8-R11 VanDerWaalsContact CG-CZ 3.5Å; Q8-R11 VanDerWaalsContact CG-NE 3.34Å; Q8-R11 VanDerWaalsContact O-CG 3.25Å; Q8-R11 WeakPolarHBondContact O-CG 3.11Å; Q8-R11 PolarHBondContact O-N 2.82Å
9	E	40.3	Very low	46	Very low	103 Å²	103	114.9 Å²	114.9	48%	0.481	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-84.6	9.3	-173.9	-56.9	162.9	177.4	0	0	113.2	T6 D7	T6-E9 PolarHBondContact N-OE2 3.29Å; T6-E9 WeakPolarHBondContact O-CA 3.25Å; T6-E9 WeakPolarHBondContact O-CB 3.4Å; T6-E9 PolarHBondContact O-N 3.21Å; T6-E9 VanDerWaalsContact OG1-CG 3.25Å; T6-E9 WeakPolarHBondContact OG1-CG 3.33Å; T6-E9 PolarHBondContact OG1-OE1 3.15Å; T6-E9 PolarHBondContact OG1-OE2 3.37Å; D7-E9 VanDerWaalsContact C-N 3.28Å
10	K	41.1	Very low	46.6	Very low	152 Å²	152	111.2 Å²	111.2	66%	0.661	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-126.3	27.6	168.5	-87.2	-179.9	164.9	168.3	0	111.7	L5 Q8 R12	L5-K10 HydrophobicContact CD1-CD 4.12Å; L5-K10 VanDerWaalsContact CD1-CE 3.47Å; L5-K10 HydrophobicContact CD1-CG 4.39Å; Q8-K10 PolarHBondContact O-N 2.71Å; K10-R12 PolarHBondContact O-N 2.77Å
11	R	48.9	Very low	47.3	Very low	162 Å²	162	107.2 Å²	107.2	61%	0.611	55%	0.552	S	S	*	*			trans	-58.1	87.5	174.9	-85.2	173.5	175.9	-171.9	0.2	110.2	Q8	Q8-R11 VanDerWaalsContact CG-CZ 3.5Å; Q8-R11 VanDerWaalsContact CG-NE 3.34Å; Q8-R11 VanDerWaalsContact O-CG 3.25Å; Q8-R11 WeakPolarHBondContact O-CG 3.11Å; Q8-R11 PolarHBondContact O-N 2.82Å
12	R	41.4	Very low	48.2	Very low	156 Å²	156	101.6 Å²	101.6	59%	0.589	53%	0.531	S	S	*	.			trans	4	106.7	167.6	-67.9	170.3	167.1	172	-13	115	K10 I14 E541	K10-R12 PolarHBondContact O-N 2.77Å; R12-I14 HydrophobicContact CB-CG1 4.37Å; R12-I14 PolarHBondContact O-N 3.33Å; R12-I14 VanDerWaalsContact O-N 3.09Å; R12-E541 IonicContact NH1-OE2 3.88Å
13	Q	45.6	Very low	49.4	Very low	155 Å²	155	104.6 Å²	104.6	72%	0.724	53%	0.527	S	S	*	.			trans	-63.3	105.3	154.1	-75.6	179.9	-12.2	0	0	107.5
14	I	50.7	Low	51.3	Low	21 Å²	21	98.7 Å²	98.7	11%	0.108	51%	0.505	C	S	.	.			trans	-80.8	125	178.4	-69.5	176.2	0	0	0	107.2	R12 I16 R17 N107 P498 E502	R12-I14 HydrophobicContact CB-CG1 4.37Å; R12-I14 PolarHBondContact O-N 3.33Å; R12-I14 VanDerWaalsContact O-N 3.09Å; I14-I16 VanDerWaalsContact C-N 3.28Å; I14-I16 HydrophobicContact CG2-CB 4.34Å; I14-I16 PolarHBondContact O-N 3.28Å; I14-R17 HydrophobicContact CB-CG 4.18Å; I14-R17 HydrophobicContact CG2-CG 4.02Å; I14-R17 PolarHBondContact O-N 2.66Å; I14-R17 VanDerWaalsContact O-N 3.13Å; I14-N107 PolarHBondContact O-ND2 3.47Å; I14-P498 HydrophobicContact CD1-CB 3.98Å; I14-E502 HydrophobicContact CG2-CB 4.07Å; I14-E502 HydrophobicContact CG2-CG 4.19Å; I14-E502 WeakPolarHBondContact CG2-OE2 3.47Å
15	S	53.4	Low	53.4	Low	64 Å²	64	94.2 Å²	94.2	45%	0.448	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-59.4	-38.9	-173.9	59.1	0	0	0	0	112.3	R17 G18 E502	S15-R17 PolarHBondContact O-N 2.82Å; S15-G18 PolarHBondContact O-N 3.11Å; S15-E502 WeakPolarHBondContact CB-OE1 3.25Å; S15-E502 PolarHBondContact N-OE1 2.84Å; S15-E502 PolarHBondContact N-OE2 2.97Å; S15-E502 VanDerWaalsContact OG-CD 3.31Å; S15-E502 PolarHBondContact OG-OE1 3.1Å; S15-E502 PolarHBondContact OG-OE2 2.88Å
16	I	50.8	Low	56	Low	11 Å²	11	92.2 Å²	92.2	6%	0.056	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-63.7	-19.4	-179.2	-50.5	160.7	0	0	0	113	I14 G18 L494 A501 E502 A505 E510	I14-I16 VanDerWaalsContact C-N 3.28Å; I14-I16 HydrophobicContact CG2-CB 4.34Å; I14-I16 PolarHBondContact O-N 3.28Å; I16-G18 PolarHBondContact O-N 3.12Å; I16-L494 HydrophobicContact CB-CD1 4.15Å; I16-L494 HydrophobicContact CD1-CD1 4.45Å; I16-L494 HydrophobicContact CG2-CD1 3.4Å; I16-L494 HydrophobicContact CG2-CD2 4.19Å; I16-L494 HydrophobicContact CG2-CG 4.45Å; I16-A501 HydrophobicContact CD1-CB 3.85Å; I16-A501 VanDerWaalsContact CD1-O 3.25Å; I16-A501 WeakPolarHBondContact CD1-O 3.13Å; I16-E502 HydrophobicContact CD1-CB 4.42Å; I16-E502 WeakPolarHBondContact CD1-OE2 3.16Å; I16-E502 VanDerWaalsContact CG1-OE2 3.3Å; I16-E502 WeakPolarHBondContact CG1-OE2 3.17Å; I16-E502 PolarHBondContact N-OE2 3.28Å; I16-A505 HydrophobicContact CD1-CB 3.51Å; I16-A505 HydrophobicContact CG1-CB 3.59Å; I16-E510 WeakPolarHBondContact CA-OE1 3.44Å; I16-E510 HydrophobicContact CG1-CG 4.09Å
17	R	52.5	Low	57.6	Low	48 Å²	48	94.7 Å²	94.7	18%	0.181	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-85.2	4.2	179.1	-67	-179.3	177.8	-172.5	-4.8	113.4	I14 S15 Q106 N107	I14-R17 HydrophobicContact CB-CG 4.18Å; I14-R17 HydrophobicContact CG2-CG 4.02Å; I14-R17 PolarHBondContact O-N 2.66Å; I14-R17 VanDerWaalsContact O-N 3.13Å; S15-R17 PolarHBondContact O-N 2.82Å; R17-Q106 HydrophobicContact CB-CB 4.35Å; R17-Q106 HydrophobicContact CG-CB 4.46Å; R17-Q106 HydrophobicContact CG-CG 4.31Å; R17-N107 HydrophobicContact CB-CB 4.29Å; R17-N107 WeakPolarHBondContact CB-ND2 3.36Å; R17-N107 WeakPolarHBondContact CB-OD1 2.95Å; R17-N107 VanDerWaalsContact CD-OD1 3.29Å; R17-N107 WeakPolarHBondContact CD-OD1 3.44Å; R17-N107 WeakPolarHBondContact O-CB 3.2Å; R17-N107 PolarHBondContact O-N 2.8Å; R17-N107 PolarHBondContact O-ND2 2.89Å
18	G	55.9	Low	60	Low	29 Å²	29	87.7 Å²	87.7	30%	0.299	44%	0.444	S	S	.	.			trans	90.1	157.3	172	0	0	0	0	0	114.9	S15 I16 N107	S15-G18 PolarHBondContact O-N 3.11Å; I16-G18 PolarHBondContact O-N 3.12Å; G18-N107 PolarHBondContact O-ND2 3.39Å
19	I	57.7	Low	62.6	Low	173 Å²	173	84.3 Å²	84.3	89%	0.887	43%	0.427	S	S	*	.			trans	-77.9	130.5	178.9	-58.6	174.3	0	0	0	110.1	G21	I19-G21 PolarHBondContact O-N 3.15Å
20	V	58.5	Low	65.2	Low	41 Å²	41	87.2 Å²	87.2	25%	0.248	44%	0.438	C	S	.	.			trans	-76.7	103.7	178.2	-176.3	0	0	0	0	110.2	V25 N107 E111	V20-V25 HydrophobicContact CG1-CG2 3.28Å; V20-N107 HydrophobicContact CG2-CB 3.7Å; V20-E111 HydrophobicContact CG1-CB 4.31Å; V20-E111 HydrophobicContact CG1-CG 4.26Å
21	G	60.7	Low	67.8	Low	28 Å²	28	80.6 Å²	80.6	29%	0.289	41%	0.413	S	S	.	.			trans	-76.7	130	168.8	0	0	0	0	0	111.3	I19 E23 N24 V25	I19-G21 PolarHBondContact O-N 3.15Å; G21-E23 VanDerWaalsContact C-N 3.27Å; G21-E23 PolarHBondContact O-N 3.44Å; G21-N24 WeakPolarHBondContact O-CB 3.48Å; G21-N24 PolarHBondContact O-N 3.4Å; G21-N24 VanDerWaalsContact O-N 3.11Å; G21-V25 PolarHBondContact O-N 3.14Å
22	V	58.4	Low	70.1	Confident	131 Å²	131	73 Å²	73	79%	0.794	39%	0.385	S	S	*	.	H	α-helix	trans	-57.5	-39.1	-178.8	-180	0	0	0	0	112	A26	V22-A26 PolarHBondContact O-N 3.03Å
23	E	60	Low	72.8	Confident	169 Å²	169	68.4 Å²	68.4	79%	0.79	37%	0.371	S	S	*	.	H	α-helix	trans	-66.5	-37.5	178.5	-65.2	-176.5	167.4	0	0	112.4	G21 A26 E27	G21-E23 VanDerWaalsContact C-N 3.27Å; G21-E23 PolarHBondContact O-N 3.44Å; E23-A26 PolarHBondContact O-N 3.5Å; E23-E27 PolarHBondContact O-N 3.25Å; E23-E27 VanDerWaalsContact O-N 3.14Å
24	N	78.4	Confident	75.3	Confident	76 Å²	76	66.6 Å²	66.6	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-67	-40	179.3	-69.1	-14.1	0	0	0	112	G21 E27 L28	G21-N24 WeakPolarHBondContact O-CB 3.48Å; G21-N24 PolarHBondContact O-N 3.4Å; G21-N24 VanDerWaalsContact O-N 3.11Å; N24-E27 PolarHBondContact O-N 3.14Å; N24-L28 WeakPolarHBondContact O-CB 3.46Å; N24-L28 VanDerWaalsContact O-CG 3.28Å; N24-L28 WeakPolarHBondContact O-CG 3.24Å; N24-L28 PolarHBondContact O-N 2.99Å
25	V	88.6	Confident	77.6	Confident	7 Å²	7	66.2 Å²	66.2	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-65.8	-42.2	179.4	176.7	0	0	0	0	111.1	V20 G21 E27 L28 K29 E111 A112	V20-V25 HydrophobicContact CG1-CG2 3.28Å; G21-V25 PolarHBondContact O-N 3.14Å; V25-E27 PolarHBondContact O-N 3.08Å; V25-L28 PolarHBondContact O-N 3.4Å; V25-K29 HydrophobicContact CG1-CD 4.03Å; V25-K29 WeakPolarHBondContact O-CG 3.47Å; V25-K29 PolarHBondContact O-N 3.49Å; V25-E111 HydrophobicContact CG1-CG 4.17Å; V25-E111 HydrophobicContact CG2-CB 4.3Å; V25-E111 HydrophobicContact CG2-CG 4.13Å; V25-A112 HydrophobicContact CG1-CB 4.1Å
26	A	90	Very high	79.7	Confident	62 Å²	62	63.3 Å²	63.3	51%	0.512	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-41.7	177.4	0	0	0	0	0	111.9	V22 E23 K30	V22-A26 PolarHBondContact O-N 3.03Å; E23-A26 PolarHBondContact O-N 3.5Å; A26-K30 PolarHBondContact O-N 3.31Å; A26-K30 VanDerWaalsContact O-N 3.12Å
27	E	91.4	Very high	81.9	Confident	120 Å²	120	68 Å²	68	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-63.2	-46.7	175.8	-169.9	-178.3	179.5	0	0	111.7	E23 N24 V25 K29 K30 G31	E23-E27 PolarHBondContact O-N 3.25Å; E23-E27 VanDerWaalsContact O-N 3.14Å; N24-E27 PolarHBondContact O-N 3.14Å; V25-E27 PolarHBondContact O-N 3.08Å; E27-K29 PolarHBondContact O-N 2.87Å; E27-K30 WeakPolarHBondContact O-CB 3.43Å; E27-K30 PolarHBondContact O-N 3.47Å; E27-K30 VanDerWaalsContact O-N 3.15Å; E27-G31 PolarHBondContact O-N 3.11Å
28	L	94.1	Very high	84	Confident	8 Å²	8	73 Å²	73	4%	0.042	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-44.4	178.5	-73.4	169.8	0	0	0	112.1	N24 V25 K30 G31 F32 T59 A108 A112	N24-L28 WeakPolarHBondContact O-CB 3.46Å; N24-L28 VanDerWaalsContact O-CG 3.28Å; N24-L28 WeakPolarHBondContact O-CG 3.24Å; N24-L28 PolarHBondContact O-N 2.99Å; V25-L28 PolarHBondContact O-N 3.4Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.28Å; L28-G31 PolarHBondContact O-N 3.05Å; L28-F32 WeakPolarHBondContact O-CB 3.32Å; L28-F32 PolarHBondContact O-N 3.04Å; L28-T59 HydrophobicContact CD2-CG2 3.87Å; L28-A108 HydrophobicContact CD1-CB 3.59Å; L28-A112 HydrophobicContact CB-CB 3.94Å
29	K	96	Very high	86	Confident	54 Å²	54	74.8 Å²	74.8	24%	0.235	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-38.8	176	-69.9	170.1	68.4	-179	0	112	V25 E27 N33 A112 Q115 L116	V25-K29 HydrophobicContact CG1-CD 4.03Å; V25-K29 WeakPolarHBondContact O-CG 3.47Å; V25-K29 PolarHBondContact O-N 3.49Å; E27-K29 PolarHBondContact O-N 2.87Å; K29-N33 PolarHBondContact O-N 2.91Å; K29-N33 VanDerWaalsContact O-N 3.1Å; K29-N33 PolarHBondContact O-ND2 3.33Å; K29-A112 HydrophobicContact CG-CB 3.8Å; K29-Q115 HydrophobicContact CD-CB 4.25Å; K29-L116 HydrophobicContact CB-CD1 4.47Å; K29-L116 HydrophobicContact CG-CD1 4.14Å; K29-L116 HydrophobicContact CG-CG 4.17Å
30	K	95.2	Very high	87.9	Confident	165 Å²	165	68.3 Å²	68.3	72%	0.717	35%	0.352	S	S	*	.	H	α-helix	trans	-68	-44.3	176.3	-173.4	-179.9	178.3	-177.8	0	111.1	A26 E27 L28 N33 R34	A26-K30 PolarHBondContact O-N 3.31Å; A26-K30 VanDerWaalsContact O-N 3.12Å; E27-K30 WeakPolarHBondContact O-CB 3.43Å; E27-K30 PolarHBondContact O-N 3.47Å; E27-K30 VanDerWaalsContact O-N 3.15Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.28Å; K30-N33 PolarHBondContact O-N 3.19Å; K30-R34 VanDerWaalsContact O-CB 3.28Å; K30-R34 WeakPolarHBondContact O-CB 3.31Å; K30-R34 PolarHBondContact O-N 3.09Å
31	G	95.8	Very high	89.8	Confident	13 Å²	13	72.2 Å²	72.2	13%	0.134	38%	0.376	C	S	.	.	H	α-helix	trans	-58.2	-47.8	174.6	0	0	0	0	0	112.1	E27 L28 R34 H35	E27-G31 PolarHBondContact O-N 3.11Å; L28-G31 PolarHBondContact O-N 3.05Å; G31-R34 WeakPolarHBondContact O-CB 3.28Å; G31-R34 PolarHBondContact O-N 3.21Å; G31-H35 PolarHBondContact O-CD2 3.4Å; G31-H35 PolarHBondContact O-N 3.26Å
32	F	97.9	Very high	91.5	Very high	3 Å²	3	74 Å²	74	1%	0.013	38%	0.375	C	S	.	.	H	α-helix	trans	-56.6	-54.2	177	-178.6	-84.8	0	0	0	112	L28 R34 H35 L36 Y52 A55 L56 T59 I113 L116 L118	L28-F32 WeakPolarHBondContact O-CB 3.32Å; L28-F32 PolarHBondContact O-N 3.04Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 2.69Å; F32-H35 PolarHBondContact O-N 2.78Å; F32-L36 HydrophobicContact CE1-CD2 4.41Å; F32-L36 WeakPolarHBondContact O-CB 3.27Å; F32-L36 PolarHBondContact O-N 2.99Å; F32-Y52 HydrophobicContact CE1-CD1 4.06Å; F32-Y52 VanDerWaalsContact CE2-O 3.32Å; F32-Y52 WeakPolarHBondContact CE2-O 3.22Å; F32-Y52 AromaticContact CZ-CD1 3.67Å; F32-Y52 HydrophobicContact CZ-CD1 3.67Å; F32-Y52 HydrophobicContact CZ-CG 4.2Å; F32-A55 HydrophobicContact CD2-CB 3.93Å; F32-A55 HydrophobicContact CE1-CB 4.41Å; F32-A55 HydrophobicContact CE2-CB 3.76Å; F32-A55 HydrophobicContact CG-CB 4.35Å; F32-A55 HydrophobicContact CZ-CB 4.02Å; F32-L56 HydrophobicContact CD2-CB 4.14Å; F32-L56 HydrophobicContact CE2-CB 4.03Å; F32-T59 VanDerWaalsContact CA-OG1 3.25Å; F32-T59 WeakPolarHBondContact CA-OG1 3.48Å; F32-T59 PolarHBondContact N-OG1 3.19Å; F32-I113 HydrophobicContact CD2-CD1 3.63Å; F32-I113 HydrophobicContact CE2-CD1 3.53Å; F32-I113 HydrophobicContact CG-CD1 4.42Å; F32-I113 HydrophobicContact CZ-CD1 4.27Å; F32-L116 HydrophobicContact CB-CD1 4.26Å; F32-L116 HydrophobicContact CD1-CD1 3.62Å; F32-L116 HydrophobicContact CE1-CD1 4.07Å; F32-L116 HydrophobicContact CG-CD1 3.92Å; F32-L118 HydrophobicContact CE1-CD1 4.35Å; F32-L118 HydrophobicContact CZ-CD1 3.8Å
33	N	97.2	Very high	93.2	Very high	58 Å²	58	71.2 Å²	71.2	31%	0.31	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-34.2	-180	-73.2	-48.4	0	0	0	112.1	K29 K30 L36 H37	K29-N33 PolarHBondContact O-N 2.91Å; K29-N33 VanDerWaalsContact O-N 3.1Å; K29-N33 PolarHBondContact O-ND2 3.33Å; K30-N33 PolarHBondContact O-N 3.19Å; N33-L36 PolarHBondContact O-N 3.34Å; N33-H37 WeakPolarHBondContact O-CB 3.5Å; N33-H37 PolarHBondContact O-N 3.13Å
34	R	97.9	Very high	94.7	Very high	117 Å²	117	69 Å²	69	44%	0.442	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-46.7	174	-176.3	-171.2	65.2	162.2	0.9	111	K30 G31 F32 H37 F38 D62	K30-R34 VanDerWaalsContact O-CB 3.28Å; K30-R34 WeakPolarHBondContact O-CB 3.31Å; K30-R34 PolarHBondContact O-N 3.09Å; G31-R34 WeakPolarHBondContact O-CB 3.28Å; G31-R34 PolarHBondContact O-N 3.21Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 2.69Å; R34-H37 PolarHBondContact O-N 3.43Å; R34-F38 HydrophobicContact CB-CD2 4.47Å; R34-F38 HydrophobicContact CG-CD2 3.68Å; R34-F38 HydrophobicContact CG-CE2 4.22Å; R34-F38 WeakPolarHBondContact O-CB 3.29Å; R34-F38 WeakPolarHBondContact O-CD2 2.96Å; R34-F38 PolarHBondContact O-N 3.33Å; R34-D62 IonicContact CZ-OD2 2.71Å; R34-D62 IonicContact NH2-OD2 2.76Å; R34-D62 PolarHBondContact NH2-OD2 3.24Å
35	H	98.3	Very high	95.5	Very high	13 Å²	13	72.6 Å²	72.6	6%	0.06	36%	0.36	C	S	.	.	I	π-helix	trans	-69.3	-39.6	178.3	-74.4	-63.9	0	0	0	112.5	G31 F32 H37 T39 L40 A55 H58 D62	G31-H35 PolarHBondContact O-CD2 3.4Å; G31-H35 PolarHBondContact O-N 3.26Å; F32-H35 PolarHBondContact O-N 2.78Å; H35-H37 VanDerWaalsContact C-N 3.27Å; H35-H37 PolarHBondContact O-N 3.47Å; H35-T39 PolarHBondContact ND1-OG1 3.07Å; H35-T39 CarbonylContact O-C 3.59Å; H35-T39 WeakPolarHBondContact O-CA 3.49Å; H35-T39 WeakPolarHBondContact O-CB 3.43Å; H35-T39 PolarHBondContact O-N 3.05Å; H35-L40 PolarHBondContact O-N 2.98Å; H35-A55 HydrophobicContact CB-CB 4.41Å; H35-H58 HydrophobicContact CB-CB 4.13Å; H35-D62 IonicContact CE1-OD2 3.78Å; H35-D62 IonicContact NE2-OD2 3.29Å; H35-D62 PolarHBondContact NE2-OD2 3.2Å
36	L	97.9	Very high	95.9	Very high	4 Å²	4	76.1 Å²	76.1	2%	0.021	38%	0.381	C	S	.	.	I	π-helix	trans	-56	-45.2	173.8	-173.4	65.4	0	0	0	111.3	F32 N33 L40 V41 K42 R44 A47 D51 Y52 A55	F32-L36 HydrophobicContact CE1-CD2 4.41Å; F32-L36 WeakPolarHBondContact O-CB 3.27Å; F32-L36 PolarHBondContact O-N 2.99Å; N33-L36 PolarHBondContact O-N 3.34Å; L36-L40 HydrophobicContact CD1-CD1 4.24Å; L36-V41 PolarHBondContact O-N 3.25Å; L36-K42 HydrophobicContact CD1-CB 3.85Å; L36-K42 HydrophobicContact CG-CB 4.23Å; L36-K42 PolarHBondContact O-N 2.87Å; L36-R44 HydrophobicContact CD2-CG 4.21Å; L36-A47 HydrophobicContact CD1-CB 3.98Å; L36-D51 HydrophobicContact CD1-CB 4.22Å; L36-Y52 HydrophobicContact CD1-CD1 4.15Å; L36-Y52 HydrophobicContact CD1-CE1 4.27Å; L36-Y52 HydrophobicContact CD2-CD1 4.29Å; L36-Y52 HydrophobicContact CD2-CE1 3.89Å; L36-A55 HydrophobicContact CB-CB 4.15Å; L36-A55 HydrophobicContact CD1-CB 4.47Å
37	H	97	Very high	96.2	Very high	109 Å²	109	74 Å²	74	51%	0.505	36%	0.364	S	S	.	.	I	π-helix	trans	-77.8	-52.5	-177.7	-168.3	71.4	0	0	0	113.7	N33 R34 H35 V41	N33-H37 WeakPolarHBondContact O-CB 3.5Å; N33-H37 PolarHBondContact O-N 3.13Å; R34-H37 PolarHBondContact O-N 3.43Å; H35-H37 VanDerWaalsContact C-N 3.27Å; H35-H37 PolarHBondContact O-N 3.47Å; H37-V41 VanDerWaalsContact O-CA 3.28Å; H37-V41 WeakPolarHBondContact O-CA 3.19Å; H37-V41 PolarHBondContact O-N 3.38Å
38	F	97.8	Very high	96.6	Very high	154 Å²	154	71.3 Å²	71.3	68%	0.675	36%	0.356	S	S	*	.	I	π-helix	trans	-94.5	-29.5	-169.8	-64.5	-72.4	0	0	0	114.2	R34	R34-F38 HydrophobicContact CB-CD2 4.47Å; R34-F38 HydrophobicContact CG-CD2 3.68Å; R34-F38 HydrophobicContact CG-CE2 4.22Å; R34-F38 WeakPolarHBondContact O-CB 3.29Å; R34-F38 WeakPolarHBondContact O-CD2 2.96Å; R34-F38 PolarHBondContact O-N 3.33Å
39	T	97.1	Very high	96.7	Very high	66 Å²	66	74.8 Å²	74.8	41%	0.405	38%	0.378	S	S	.	.	I	π-helix	trans	-89.8	-44	-179.8	-53.2	0	0	0	0	111.1	H35	H35-T39 PolarHBondContact ND1-OG1 3.07Å; H35-T39 CarbonylContact O-C 3.59Å; H35-T39 WeakPolarHBondContact O-CA 3.49Å; H35-T39 WeakPolarHBondContact O-CB 3.43Å; H35-T39 PolarHBondContact O-N 3.05Å
40	L	97.3	Very high	96.8	Very high	37 Å²	37	75.2 Å²	75.2	19%	0.194	38%	0.379	C	S	.	.	S	Bend	trans	-95.6	-13.4	-177	-56.2	179.6	0	0	0	113.7	H35 L36 K42 D51 F54 A55	H35-L40 PolarHBondContact O-N 2.98Å; L36-L40 HydrophobicContact CD1-CD1 4.24Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 HydrophobicContact CB-CG 4.07Å; L40-K42 PolarHBondContact O-N 3.26Å; L40-D51 HydrophobicContact CD1-CB 4.17Å; L40-D51 WeakPolarHBondContact CD1-O 3.45Å; L40-F54 HydrophobicContact CD1-CB 3.83Å; L40-F54 HydrophobicContact CD2-CB 3.81Å; L40-F54 HydrophobicContact CG-CB 4.44Å; L40-A55 HydrophobicContact CD1-CB 4Å
41	V	98	Very high	97	Very high	123 Å²	123	68.4 Å²	68.4	75%	0.745	35%	0.35	S	S	*	.			trans	57.5	48.1	-179	-162.9	0	0	0	0	110.6	L36 H37	L36-V41 PolarHBondContact O-N 3.25Å; H37-V41 VanDerWaalsContact O-CA 3.28Å; H37-V41 WeakPolarHBondContact O-CA 3.19Å; H37-V41 PolarHBondContact O-N 3.38Å
42	K	96.3	Very high	97.1	Very high	64 Å²	64	69.3 Å²	69.3	28%	0.278	35%	0.35	S	S	.	.			trans	-125	146.3	-179.8	-65	-69.2	-175.8	159.8	0	111.2	L36 L40 V46 A47 D51	L36-K42 HydrophobicContact CD1-CB 3.85Å; L36-K42 HydrophobicContact CG-CB 4.23Å; L36-K42 PolarHBondContact O-N 2.87Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 HydrophobicContact CB-CG 4.07Å; L40-K42 PolarHBondContact O-N 3.26Å; K42-V46 HydrophobicContact CD-CG2 4.09Å; K42-A47 HydrophobicContact CB-CB 4.36Å; K42-D51 WeakPolarHBondContact CE-OD1 2.92Å; K42-D51 HydrophobicContact CG-CB 4.3Å; K42-D51 IonicContact NZ-OD2 2.91Å
43	D	94.4	Very high	97.1	Very high	73 Å²	73	69.6 Å²	69.6	39%	0.39	35%	0.351	S	S	.	.			trans	-104	167.3	159	73.3	81.2	0	0	0	110.4	N45 V46 A47	D43-N45 PolarHBondContact O-N 2.91Å; D43-N45 WeakPolarHBondContact OD1-CA 3.39Å; D43-N45 WeakPolarHBondContact OD1-CB 3.4Å; D43-N45 PolarHBondContact OD1-N 2.98Å; D43-N45 PolarHBondContact OD1-ND2 2.71Å; D43-V46 PolarHBondContact O-N 3.18Å; D43-A47 WeakPolarHBondContact O-CB 3.4Å; D43-A47 PolarHBondContact O-N 2.82Å; D43-A47 VanDerWaalsContact O-N 3.16Å
44	R	93	Very high	97.2	Very high	122 Å²	122	67.9 Å²	67.9	46%	0.46	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.6	-174.6	-73.2	-173.9	138.3	-142.3	-18.2	114.3	L36 Y52 L116	L36-R44 HydrophobicContact CD2-CG 4.21Å; R44-Y52 PolarHBondContact O-OH 2.84Å; R44-L116 PolarHBondContact NH2-O 2.93Å
45	N	94.5	Very high	97.2	Very high	153 Å²	153	62.3 Å²	62.3	82%	0.818	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-26	-177.8	-51.5	-64	0	0	0	112.4	D43	D43-N45 PolarHBondContact O-N 2.91Å; D43-N45 WeakPolarHBondContact OD1-CA 3.39Å; D43-N45 WeakPolarHBondContact OD1-CB 3.4Å; D43-N45 PolarHBondContact OD1-N 2.98Å; D43-N45 PolarHBondContact OD1-ND2 2.71Å
46	V	96.8	Very high	97.2	Very high	81 Å²	81	61.9 Å²	61.9	49%	0.491	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-0.6	-176.2	-59.6	0	0	0	0	113.4	K42 D43	K42-V46 HydrophobicContact CD-CG2 4.09Å; D43-V46 PolarHBondContact O-N 3.18Å
47	A	97.2	Very high	97.3	Very high	17 Å²	17	61.7 Å²	61.7	14%	0.14	32%	0.317	C	S	.	.			trans	-74.3	129.4	178.7	0	0	0	0	0	111.1	L36 K42 D43 D51 Y52	L36-A47 HydrophobicContact CD1-CB 3.98Å; K42-A47 HydrophobicContact CB-CB 4.36Å; D43-A47 WeakPolarHBondContact O-CB 3.4Å; D43-A47 PolarHBondContact O-N 2.82Å; D43-A47 VanDerWaalsContact O-N 3.16Å; A47-D51 HydrophobicContact CB-CB 4.25Å; A47-Y52 HydrophobicContact CB-CD1 4.23Å; A47-Y52 HydrophobicContact CB-CE1 3.5Å; A47-Y52 VanDerWaalsContact CB-CE1 3.5Å; A47-Y52 HydrophobicContact CB-CE2 4.28Å
48	T	98	Very high	97.3	Very high	64 Å²	64	58.2 Å²	58.2	39%	0.393	30%	0.301	S	S	.	.			trans	-92.6	166.9	175.4	67.1	0	0	0	0	110.7	R50 D51 Y52	T48-R50 PolarHBondContact O-N 3.16Å; T48-R50 VanDerWaalsContact O-N 3.14Å; T48-R50 PolarHBondContact OG1-N 3.19Å; T48-D51 WeakPolarHBondContact CB-OD2 3.29Å; T48-D51 PolarHBondContact N-OD2 3.36Å; T48-D51 WeakPolarHBondContact O-CB 3.43Å; T48-D51 PolarHBondContact O-N 3.36Å; T48-D51 PolarHBondContact OG1-N 2.99Å; T48-D51 PolarHBondContact OG1-OD2 3.24Å; T48-Y52 WeakPolarHBondContact O-CD2 3.42Å; T48-Y52 PolarHBondContact O-N 3.32Å; T48-Y52 VanDerWaalsContact O-N 3.1Å
49	P	97.8	Very high	97.3	Very high	80 Å²	80	51.1 Å²	51.1	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-52.9	-35	172.5	-28.5	36.8	0	0	0	113.3	Y52 Y53 I126	P49-Y52 PolarHBondContact O-N 2.94Å; P49-Y53 PolarHBondContact O-N 3.49Å; P49-I126 HydrophobicContact CB-CD1 3.42Å; P49-I126 VanDerWaalsContact CB-CD1 3.42Å; P49-I126 VanDerWaalsContact O-CD1 3.23Å; P49-I126 WeakPolarHBondContact O-CD1 3.47Å
50	R	98.1	Very high	97.3	Very high	63 Å²	63	48 Å²	48	24%	0.238	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-40	176.8	-175.7	175.1	-65.8	-80.1	1.3	112.2	T48 Y52 Y53 F54 I126 E128 Y186	T48-R50 PolarHBondContact O-N 3.16Å; T48-R50 VanDerWaalsContact O-N 3.14Å; T48-R50 PolarHBondContact OG1-N 3.19Å; R50-Y52 VanDerWaalsContact C-N 3.32Å; R50-Y53 PolarHBondContact O-N 3.21Å; R50-F54 HydrophobicContact CG-CD2 3.88Å; R50-F54 HydrophobicContact CG-CE2 3.74Å; R50-F54 VanDerWaalsContact O-CD2 3.28Å; R50-F54 WeakPolarHBondContact O-CD2 3.38Å; R50-F54 PolarHBondContact O-N 3.17Å; R50-I126 HydrophobicContact CB-CG2 4.15Å; R50-I126 HydrophobicContact CG-CG2 4.16Å; R50-E128 IonicContact NH2-OE1 3.24Å; R50-Y186 VanDerWaalsContact CZ-CD2 3.41Å; R50-Y186 VanDerWaalsContact CZ-CE2 3.43Å
51	D	98.3	Very high	97.3	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.123	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-42.4	174.7	-59.4	-61.5	0	0	0	110.5	L36 L40 K42 A47 T48 Y53 F54 A55	L36-D51 HydrophobicContact CD1-CB 4.22Å; L40-D51 HydrophobicContact CD1-CB 4.17Å; L40-D51 WeakPolarHBondContact CD1-O 3.45Å; K42-D51 WeakPolarHBondContact CE-OD1 2.92Å; K42-D51 HydrophobicContact CG-CB 4.3Å; K42-D51 IonicContact NZ-OD2 2.91Å; A47-D51 HydrophobicContact CB-CB 4.25Å; T48-D51 WeakPolarHBondContact CB-OD2 3.29Å; T48-D51 PolarHBondContact N-OD2 3.36Å; T48-D51 WeakPolarHBondContact O-CB 3.43Å; T48-D51 PolarHBondContact O-N 3.36Å; T48-D51 PolarHBondContact OG1-N 2.99Å; T48-D51 PolarHBondContact OG1-OD2 3.24Å; D51-Y53 PolarHBondContact O-N 3.2Å; D51-F54 PolarHBondContact O-N 3.49Å; D51-A55 WeakPolarHBondContact O-CB 3.42Å; D51-A55 PolarHBondContact O-N 2.83Å
52	Y	98.4	Very high	97.2	Very high	31 Å²	31	45.9 Å²	45.9	12%	0.122	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-40.2	176	-62.5	-43	0	0	0	113	F32 L36 R44 A47 T48 P49 R50 A55 L56 L118	F32-Y52 HydrophobicContact CE1-CD1 4.06Å; F32-Y52 VanDerWaalsContact CE2-O 3.32Å; F32-Y52 WeakPolarHBondContact CE2-O 3.22Å; F32-Y52 AromaticContact CZ-CD1 3.67Å; F32-Y52 HydrophobicContact CZ-CD1 3.67Å; F32-Y52 HydrophobicContact CZ-CG 4.2Å; L36-Y52 HydrophobicContact CD1-CD1 4.15Å; L36-Y52 HydrophobicContact CD1-CE1 4.27Å; L36-Y52 HydrophobicContact CD2-CD1 4.29Å; L36-Y52 HydrophobicContact CD2-CE1 3.89Å; R44-Y52 PolarHBondContact O-OH 2.84Å; A47-Y52 HydrophobicContact CB-CD1 4.23Å; A47-Y52 HydrophobicContact CB-CE1 3.5Å; A47-Y52 VanDerWaalsContact CB-CE1 3.5Å; A47-Y52 HydrophobicContact CB-CE2 4.28Å; T48-Y52 WeakPolarHBondContact O-CD2 3.42Å; T48-Y52 PolarHBondContact O-N 3.32Å; T48-Y52 VanDerWaalsContact O-N 3.1Å; P49-Y52 PolarHBondContact O-N 2.94Å; R50-Y52 VanDerWaalsContact C-N 3.32Å; Y52-A55 PolarHBondContact O-N 2.98Å; Y52-L56 PolarHBondContact O-N 3.47Å; Y52-L118 HydrophobicContact CD1-CD1 3.97Å; Y52-L118 HydrophobicContact CD2-CD1 4.02Å; Y52-L118 HydrophobicContact CD2-CD2 3.66Å; Y52-L118 HydrophobicContact CE1-CD1 4.43Å; Y52-L118 HydrophobicContact CE2-CD2 3.75Å; Y52-L118 HydrophobicContact CG-CD1 3.73Å; Y52-L118 HydrophobicContact CG-CD2 4.26Å
53	Y	98.6	Very high	97.1	Very high	9 Å²	9	45 Å²	45	4%	0.035	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-51	171.9	156.9	-101.4	0	0	0	111.5	P49 R50 D51 A55 L56 A57 L96 L123 I126 E127	P49-Y53 PolarHBondContact O-N 3.49Å; R50-Y53 PolarHBondContact O-N 3.21Å; D51-Y53 PolarHBondContact O-N 3.2Å; Y53-A55 VanDerWaalsContact C-N 3.32Å; Y53-A55 PolarHBondContact O-N 2.92Å; Y53-L56 PolarHBondContact O-N 2.93Å; Y53-A57 HydrophobicContact CE2-CB 4.21Å; Y53-A57 WeakPolarHBondContact O-CB 3.33Å; Y53-A57 PolarHBondContact O-N 2.83Å; Y53-L96 HydrophobicContact CD2-CD2 3.96Å; Y53-L96 HydrophobicContact CE2-CD2 3.94Å; Y53-L123 WeakPolarHBondContact CD2-O 3.49Å; Y53-I126 HydrophobicContact CD1-CG2 4.21Å; Y53-I126 HydrophobicContact CG-CB 4.3Å; Y53-I126 HydrophobicContact CG-CG2 4.25Å; Y53-E127 HydrophobicContact CD2-CB 4.38Å; Y53-E127 HydrophobicContact CE2-CB 3.62Å; Y53-E127 HydrophobicContact CE2-CG 4.01Å; Y53-E127 WeakPolarHBondContact OH-CG 3.44Å
54	F	98.6	Very high	97	Very high	22 Å²	22	41.7 Å²	41.7	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-37.6	-179.5	-83.9	-72.8	0	0	0	112.3	L40 R50 D51 L56 A57 H58 Y186 P189	L40-F54 HydrophobicContact CD1-CB 3.83Å; L40-F54 HydrophobicContact CD2-CB 3.81Å; L40-F54 HydrophobicContact CG-CB 4.44Å; R50-F54 HydrophobicContact CG-CD2 3.88Å; R50-F54 HydrophobicContact CG-CE2 3.74Å; R50-F54 VanDerWaalsContact O-CD2 3.28Å; R50-F54 WeakPolarHBondContact O-CD2 3.38Å; R50-F54 PolarHBondContact O-N 3.17Å; D51-F54 PolarHBondContact O-N 3.49Å; F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 PolarHBondContact O-N 3.31Å; F54-A57 PolarHBondContact O-N 2.95Å; F54-H58 WeakPolarHBondContact O-CB 3.38Å; F54-H58 PolarHBondContact O-CD2 3.13Å; F54-H58 PolarHBondContact O-N 3.27Å; F54-Y186 WeakPolarHBondContact CZ-O 3.39Å; F54-P189 HydrophobicContact CD1-CB 4.16Å; F54-P189 HydrophobicContact CD1-CG 4.15Å; F54-P189 HydrophobicContact CE1-CB 4.3Å; F54-P189 HydrophobicContact CE1-CG 4.06Å
55	A	98.5	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-42.9	175.7	0	0	0	0	0	111.4	F32 H35 L36 L40 D51 Y52 Y53 T59	F32-A55 HydrophobicContact CD2-CB 3.93Å; F32-A55 HydrophobicContact CE1-CB 4.41Å; F32-A55 HydrophobicContact CE2-CB 3.76Å; F32-A55 HydrophobicContact CG-CB 4.35Å; F32-A55 HydrophobicContact CZ-CB 4.02Å; H35-A55 HydrophobicContact CB-CB 4.41Å; L36-A55 HydrophobicContact CB-CB 4.15Å; L36-A55 HydrophobicContact CD1-CB 4.47Å; L40-A55 HydrophobicContact CD1-CB 4Å; D51-A55 WeakPolarHBondContact O-CB 3.42Å; D51-A55 PolarHBondContact O-N 2.83Å; Y52-A55 PolarHBondContact O-N 2.98Å; Y53-A55 VanDerWaalsContact C-N 3.32Å; Y53-A55 PolarHBondContact O-N 2.92Å; A55-T59 WeakPolarHBondContact O-CB 3.05Å; A55-T59 PolarHBondContact O-N 3.34Å; A55-T59 PolarHBondContact O-OG1 3.35Å
56	L	98.5	Very high	96.8	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-46.4	174.5	177.3	57.7	0	0	0	111.8	F32 Y52 Y53 F54 H58 T59 V60 L96 C109 I113 I120 L123	F32-L56 HydrophobicContact CD2-CB 4.14Å; F32-L56 HydrophobicContact CE2-CB 4.03Å; Y52-L56 PolarHBondContact O-N 3.47Å; Y53-L56 PolarHBondContact O-N 2.93Å; F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 PolarHBondContact O-N 3.31Å; L56-H58 PolarHBondContact O-N 2.93Å; L56-T59 WeakPolarHBondContact O-CB 3.35Å; L56-T59 PolarHBondContact O-N 3.39Å; L56-T59 VanDerWaalsContact O-N 3.13Å; L56-V60 HydrophobicContact CD1-CG2 3.93Å; L56-V60 HydrophobicContact CG-CG2 4.47Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 3.47Å; L56-L96 HydrophobicContact CD2-CD2 3.96Å; L56-L96 HydrophobicContact CG-CD1 4.22Å; L56-L96 HydrophobicContact CG-CD2 4.29Å; L56-C109 HydrophobicContact CD1-CB 4.47Å; L56-I113 HydrophobicContact CB-CD1 4.5Å; L56-I113 HydrophobicContact CD1-CD1 4.13Å; L56-I113 HydrophobicContact CD1-CG1 4.23Å; L56-I113 HydrophobicContact CD2-CD1 4.29Å; L56-I113 HydrophobicContact CD2-CG1 4.2Å; L56-I120 HydrophobicContact CD2-CD1 4.23Å; L56-I120 HydrophobicContact CD2-CG1 4.03Å; L56-L123 HydrophobicContact CD2-CD1 4.17Å
57	A	98.4	Very high	96.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.2	-44	179.2	0	0	0	0	0	112.2	Y53 F54 V60 R61 P189 W190	Y53-A57 HydrophobicContact CE2-CB 4.21Å; Y53-A57 WeakPolarHBondContact O-CB 3.33Å; Y53-A57 PolarHBondContact O-N 2.83Å; F54-A57 PolarHBondContact O-N 2.95Å; A57-V60 PolarHBondContact O-N 3.03Å; A57-R61 WeakPolarHBondContact O-CB 3.49Å; A57-R61 PolarHBondContact O-N 2.76Å; A57-P189 HydrophobicContact CB-CB 4.15Å; A57-P189 HydrophobicContact CB-CG 3.81Å; A57-W190 HydrophobicContact CB-CH2 4.35Å; A57-W190 HydrophobicContact CB-CZ2 3.95Å
58	H	98.4	Very high	96.7	Very high	35 Å²	35	30.7 Å²	30.7	16%	0.162	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-41.5	174.1	-77.2	-60.5	0	0	0	112.6	H35 F54 L56 R61 D62	H35-H58 HydrophobicContact CB-CB 4.13Å; F54-H58 WeakPolarHBondContact O-CB 3.38Å; F54-H58 PolarHBondContact O-CD2 3.13Å; F54-H58 PolarHBondContact O-N 3.27Å; L56-H58 PolarHBondContact O-N 2.93Å; H58-R61 PolarHBondContact O-N 3.29Å; H58-D62 PolarHBondContact O-N 3.42Å
59	T	97.9	Very high	96.6	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-48.2	176.7	-57	0	0	0	0	111.2	L28 F32 A55 L56 D62 H63	L28-T59 HydrophobicContact CD2-CG2 3.87Å; F32-T59 VanDerWaalsContact CA-OG1 3.25Å; F32-T59 WeakPolarHBondContact CA-OG1 3.48Å; F32-T59 PolarHBondContact N-OG1 3.19Å; A55-T59 WeakPolarHBondContact O-CB 3.05Å; A55-T59 PolarHBondContact O-N 3.34Å; A55-T59 PolarHBondContact O-OG1 3.35Å; L56-T59 WeakPolarHBondContact O-CB 3.35Å; L56-T59 PolarHBondContact O-N 3.39Å; L56-T59 VanDerWaalsContact O-N 3.13Å; T59-D62 PolarHBondContact O-N 3.49Å; T59-H63 PolarHBondContact O-CD2 3.35Å; T59-H63 VanDerWaalsContact O-CD2 3.23Å
60	V	97.1	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-40.6	177.9	173.4	0	0	0	0	111.3	L56 A57 D62 H63 L96 T99 M100 W190	L56-V60 HydrophobicContact CD1-CG2 3.93Å; L56-V60 HydrophobicContact CG-CG2 4.47Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 3.47Å; A57-V60 PolarHBondContact O-N 3.03Å; V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 3.06Å; V60-H63 PolarHBondContact O-N 3.02Å; V60-L96 HydrophobicContact CB-CD1 4.19Å; V60-L96 HydrophobicContact CG1-CD1 4.42Å; V60-L96 HydrophobicContact CG2-CD1 3.96Å; V60-T99 HydrophobicContact CG1-CG2 3.5Å; V60-T99 VanDerWaalsContact CG1-CG2 3.5Å; V60-M100 HydrophobicContact CG1-CG 3.99Å; V60-M100 HydrophobicContact CG2-CG 3.86Å; V60-M100 HydrophobicContact CG2-SD 4.1Å; V60-W190 HydrophobicContact CB-CH2 4.37Å; V60-W190 HydrophobicContact CG1-CH2 4.17Å; V60-W190 HydrophobicContact CG1-CZ3 4.47Å
61	R	97	Very high	96.2	Very high	52 Å²	52	29.3 Å²	29.3	20%	0.196	14%	0.143	C	C	.	.	H	α-helix	trans	-60.7	-36.2	178.1	174.9	174.1	172.7	-88	11.7	113	A57 H58 H63 L64 V65 P189 W190	A57-R61 WeakPolarHBondContact O-CB 3.49Å; A57-R61 PolarHBondContact O-N 2.76Å; H58-R61 PolarHBondContact O-N 3.29Å; R61-H63 PolarHBondContact O-N 3.32Å; R61-L64 WeakPolarHBondContact O-CA 3.38Å; R61-L64 WeakPolarHBondContact O-CB 3.42Å; R61-L64 PolarHBondContact O-N 3.48Å; R61-V65 PolarHBondContact O-N 3.48Å; R61-P189 WeakPolarHBondContact CD-O 3.33Å; R61-P189 PolarHBondContact NE-O 3.37Å; R61-P189 VanDerWaalsContact NE-O 3.11Å; R61-W190 HydrophobicContact CB-CE3 4.36Å; R61-W190 HydrophobicContact CB-CZ3 4.04Å
62	D	95.7	Very high	96	Very high	64 Å²	64	30.7 Å²	30.7	34%	0.342	15%	0.149	S	C	.	.	H	α-helix	trans	-57.7	-34	178.1	-85.6	9.3	0	0	0	112.1	R34 H35 H58 T59 V60 L64 V65	R34-D62 IonicContact CZ-OD2 2.71Å; R34-D62 IonicContact NH2-OD2 2.76Å; R34-D62 PolarHBondContact NH2-OD2 3.24Å; H35-D62 IonicContact CE1-OD2 3.78Å; H35-D62 IonicContact NE2-OD2 3.29Å; H35-D62 PolarHBondContact NE2-OD2 3.2Å; H58-D62 PolarHBondContact O-N 3.42Å; T59-D62 PolarHBondContact O-N 3.49Å; V60-D62 VanDerWaalsContact C-N 3.31Å; V60-D62 PolarHBondContact O-N 3.06Å; D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 3.2Å; D62-V65 PolarHBondContact O-N 2.91Å
63	H	93.6	Very high	95.7	Very high	46 Å²	46	33.7 Å²	33.7	21%	0.213	16%	0.164	C	C	.	.	H	α-helix	trans	-70	-20.3	174.8	-63.9	-85.7	0	0	0	113.7	T59 V60 R61 R67 L103 L105	T59-H63 PolarHBondContact O-CD2 3.35Å; T59-H63 VanDerWaalsContact O-CD2 3.23Å; V60-H63 PolarHBondContact O-N 3.02Å; R61-H63 PolarHBondContact O-N 3.32Å; H63-R67 PolarHBondContact O-NH1 3.19Å; H63-L103 HydrophobicContact CB-CD1 3.96Å; H63-L105 HydrophobicContact CB-CD1 4Å
64	L	93.6	Very high	95.5	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-80	-38.2	173.3	-70.5	174.5	0	0	0	112.4	R61 D62 G66 R67 W68 T99 L103 W190 P230 P232 V239	R61-L64 WeakPolarHBondContact O-CA 3.38Å; R61-L64 WeakPolarHBondContact O-CB 3.42Å; R61-L64 PolarHBondContact O-N 3.48Å; D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 3.2Å; L64-G66 PolarHBondContact O-N 2.98Å; L64-R67 PolarHBondContact O-N 3.42Å; L64-R67 VanDerWaalsContact O-N 3.1Å; L64-W68 WeakPolarHBondContact O-CB 3.28Å; L64-W68 PolarHBondContact O-N 3.31Å; L64-T99 HydrophobicContact CD1-CG2 3.56Å; L64-T99 HydrophobicContact CD2-CG2 4.02Å; L64-T99 HydrophobicContact CG-CG2 3.83Å; L64-L103 HydrophobicContact CD2-CD1 3.89Å; L64-L103 HydrophobicContact CD2-CD2 4Å; L64-L103 HydrophobicContact CD2-CG 4.21Å; L64-L103 HydrophobicContact CG-CD1 4.11Å; L64-W190 HydrophobicContact CD1-CZ3 4.37Å; L64-P230 HydrophobicContact CD1-CB 4.2Å; L64-P230 HydrophobicContact CD1-CG 3.77Å; L64-P232 HydrophobicContact CD2-CB 3.69Å; L64-P232 HydrophobicContact CD2-CG 4.01Å; L64-V239 HydrophobicContact CD2-CG2 4.06Å
65	V	93.1	Very high	95.2	Very high	52 Å²	52	35.2 Å²	35.2	32%	0.315	17%	0.172	S	C	.	.	H	α-helix	trans	-56.4	-48.5	-169	175.5	0	0	0	0	112	R61 D62 R67 W68 I69	R61-V65 PolarHBondContact O-N 3.48Å; D62-V65 PolarHBondContact O-N 2.91Å; V65-R67 PolarHBondContact O-N 3.4Å; V65-W68 PolarHBondContact O-N 3.1Å; V65-I69 HydrophobicContact CG1-CD1 3.93Å; V65-I69 WeakPolarHBondContact O-CG1 3.32Å; V65-I69 PolarHBondContact O-N 3.44Å
66	G	89.5	Confident	94.7	Very high	27 Å²	27	41.4 Å²	41.4	28%	0.278	20%	0.196	S	C	.	.	H	α-helix	trans	-63.9	-38.8	179.6	0	0	0	0	0	113.2	L64 R70	L64-G66 PolarHBondContact O-N 2.98Å; G66-R70 WeakPolarHBondContact O-CG 3.34Å; G66-R70 PolarHBondContact O-N 3.48Å; G66-R70 PolarHBondContact O-NE 3.2Å
67	R	95.3	Very high	94.2	Very high	40 Å²	40	44.8 Å²	44.8	15%	0.151	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-44.6	175.9	-70	173.3	172.5	81	-1.1	110.9	H63 L64 V65 R70 T71 N237 V239 L837	H63-R67 PolarHBondContact O-NH1 3.19Å; L64-R67 PolarHBondContact O-N 3.42Å; L64-R67 VanDerWaalsContact O-N 3.1Å; V65-R67 PolarHBondContact O-N 3.4Å; R67-R70 PolarHBondContact O-N 3.36Å; R67-T71 PolarHBondContact O-N 3.35Å; R67-T71 PolarHBondContact O-OG1 3.21Å; R67-T71 VanDerWaalsContact O-OG1 3.04Å; R67-N237 HydrophobicContact CG-CB 4.42Å; R67-N237 PolarHBondContact NE-OD1 2.93Å; R67-V239 HydrophobicContact CB-CG2 3.62Å; R67-L837 HydrophobicContact CG-CD2 3.8Å
68	W	97.3	Very high	93.8	Very high	24 Å²	24	51.9 Å²	51.9	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-47	-178.9	-168.5	28.3	0	0	0	112.9	L64 V65 R70 T71 Q72 K192 D228 P230 V239 T241	L64-W68 WeakPolarHBondContact O-CB 3.28Å; L64-W68 PolarHBondContact O-N 3.31Å; V65-W68 PolarHBondContact O-N 3.1Å; W68-R70 VanDerWaalsContact C-N 3.32Å; W68-R70 PolarHBondContact O-N 3.32Å; W68-T71 PolarHBondContact O-N 3.35Å; W68-Q72 WeakPolarHBondContact O-CG 3.25Å; W68-Q72 PolarHBondContact O-N 3.47Å; W68-K192 HydrophobicContact CH2-CB 4.4Å; W68-K192 HydrophobicContact CZ3-CB 4.4Å; W68-D228 HydrophobicContact CH2-CB 3.48Å; W68-D228 VanDerWaalsContact CH2-CB 3.48Å; W68-D228 HydrophobicContact CZ2-CB 3.63Å; W68-P230 HydrophobicContact CD2-CB 4.21Å; W68-P230 HydrophobicContact CE3-CB 4.4Å; W68-P230 HydrophobicContact CG-CB 4.47Å; W68-V239 HydrophobicContact CB-CB 4.01Å; W68-V239 HydrophobicContact CB-CG1 3.82Å; W68-V239 VanDerWaalsContact CD1-O 3.28Å; W68-V239 HydrophobicContact CG-CB 4.35Å; W68-V239 HydrophobicContact CG-CG1 3.84Å; W68-T241 HydrophobicContact CZ2-CG2 4Å; W68-T241 PolarHBondContact NE1-OG1 3.14Å
69	I	94.3	Very high	93.4	Very high	108 Å²	108	50.8 Å²	50.8	55%	0.554	24%	0.241	S	C	*	.	H	α-helix	trans	-57.1	-47.6	174.6	-68.2	168.3	0	0	0	110.5	V65 T71 Q72 Q73	V65-I69 HydrophobicContact CG1-CD1 3.93Å; V65-I69 WeakPolarHBondContact O-CG1 3.32Å; V65-I69 PolarHBondContact O-N 3.44Å; I69-T71 PolarHBondContact O-N 3.02Å; I69-Q72 PolarHBondContact O-N 3.48Å; I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 PolarHBondContact O-N 3.24Å
70	R	93.6	Very high	93.2	Very high	69 Å²	69	52.6 Å²	52.6	26%	0.26	25%	0.253	S	S	.	.	H	α-helix	trans	-65.1	-38.2	179.7	-75.3	-173.4	-69.8	-101.2	-0.8	113.1	G66 R67 W68 Q73 H74 I835 S836	G66-R70 WeakPolarHBondContact O-CG 3.34Å; G66-R70 PolarHBondContact O-N 3.48Å; G66-R70 PolarHBondContact O-NE 3.2Å; R67-R70 PolarHBondContact O-N 3.36Å; W68-R70 VanDerWaalsContact C-N 3.32Å; W68-R70 PolarHBondContact O-N 3.32Å; R70-Q73 PolarHBondContact O-N 2.93Å; R70-H74 VanDerWaalsContact O-CB 3.23Å; R70-H74 WeakPolarHBondContact O-CB 3.34Å; R70-H74 PolarHBondContact O-N 3.1Å; R70-I835 HydrophobicContact CB-CG2 4.21Å; R70-S836 WeakPolarHBondContact CD-O 3.19Å; R70-S836 PolarHBondContact NE-O 3.42Å
71	T	95.6	Very high	93.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-47.8	175.1	-58.8	0	0	0	0	111.3	R67 W68 I69 Q73 H74 Y75 T238 V239 I835	R67-T71 PolarHBondContact O-N 3.35Å; R67-T71 PolarHBondContact O-OG1 3.21Å; R67-T71 VanDerWaalsContact O-OG1 3.04Å; W68-T71 PolarHBondContact O-N 3.35Å; I69-T71 PolarHBondContact O-N 3.02Å; T71-Q73 VanDerWaalsContact C-N 3.35Å; T71-Q73 PolarHBondContact O-N 3.2Å; T71-H74 PolarHBondContact O-N 3.14Å; T71-Y75 HydrophobicContact CG2-CD2 4.03Å; T71-Y75 HydrophobicContact CG2-CE1 4.26Å; T71-Y75 HydrophobicContact CG2-CE2 3.36Å; T71-Y75 VanDerWaalsContact CG2-CZ 3.48Å; T71-Y75 WeakPolarHBondContact O-CD2 3.36Å; T71-Y75 PolarHBondContact O-N 2.88Å; T71-T238 HydrophobicContact CG2-CG2 4.03Å; T71-V239 WeakPolarHBondContact CB-O 3.22Å; T71-V239 VanDerWaalsContact CG2-O 3.3Å; T71-V239 WeakPolarHBondContact CG2-O 3.47Å; T71-V239 PolarHBondContact OG1-N 3.29Å; T71-I835 HydrophobicContact CG2-CD1 4.06Å; T71-I835 WeakPolarHBondContact OG1-CD1 3.2Å
72	Q	94	Very high	93.2	Very high	52 Å²	52	52.9 Å²	52.9	24%	0.243	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-40.2	178.7	-61.3	-52.2	-53.8	0	0	111.7	W68 I69 Y75 Y76 Y156 T241	W68-Q72 WeakPolarHBondContact O-CG 3.25Å; W68-Q72 PolarHBondContact O-N 3.47Å; I69-Q72 PolarHBondContact O-N 3.48Å; Q72-Y75 PolarHBondContact O-N 3.43Å; Q72-Y76 PolarHBondContact O-N 3.16Å; Q72-Y156 PolarHBondContact OE1-OH 2.97Å; Q72-Y156 VanDerWaalsContact OE1-OH 3.05Å; Q72-T241 PolarHBondContact NE2-OG1 3.15Å
73	Q	91.7	Very high	93.3	Very high	94 Å²	94	49.9 Å²	49.9	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-44.2	174.3	-170.6	62.2	44.5	0	0	111.8	I69 R70 T71 Y75 Y76 D77	I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 PolarHBondContact O-N 3.24Å; R70-Q73 PolarHBondContact O-N 2.93Å; T71-Q73 VanDerWaalsContact C-N 3.35Å; T71-Q73 PolarHBondContact O-N 3.2Å; Q73-Y75 VanDerWaalsContact C-N 3.33Å; Q73-Y75 PolarHBondContact O-N 2.84Å; Q73-Y76 WeakPolarHBondContact O-CA 3.43Å; Q73-Y76 WeakPolarHBondContact O-CB 3.39Å; Q73-Y76 PolarHBondContact O-N 3.03Å; Q73-Y76 VanDerWaalsContact O-N 3.08Å; Q73-D77 PolarHBondContact NE2-OD1 3.47Å; Q73-D77 VanDerWaalsContact O-CG 3.26Å; Q73-D77 PolarHBondContact O-N 2.88Å
74	H	93.1	Very high	93.5	Very high	57 Å²	57	47.8 Å²	47.8	26%	0.264	23%	0.229	S	C	.	.	H	α-helix	trans	-58.4	-44.9	176.8	-179.8	85	0	0	0	111.7	R70 T71 Y76 D77 K78	R70-H74 VanDerWaalsContact O-CB 3.23Å; R70-H74 WeakPolarHBondContact O-CB 3.34Å; R70-H74 PolarHBondContact O-N 3.1Å; T71-H74 PolarHBondContact O-N 3.14Å; H74-Y76 VanDerWaalsContact C-N 3.31Å; H74-Y76 PolarHBondContact O-N 3.23Å; H74-D77 PolarHBondContact O-N 3.49Å; H74-K78 WeakPolarHBondContact O-CB 3.5Å; H74-K78 WeakPolarHBondContact O-CG 2.97Å; H74-K78 PolarHBondContact O-N 3.38Å
75	Y	93.4	Very high	93.8	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-34.7	175.1	-62.6	-24.8	0	0	0	112.7	T71 Q72 Q73 C79 P80 R82 L153 A154 T238 N240	T71-Y75 HydrophobicContact CG2-CD2 4.03Å; T71-Y75 HydrophobicContact CG2-CE1 4.26Å; T71-Y75 HydrophobicContact CG2-CE2 3.36Å; T71-Y75 VanDerWaalsContact CG2-CZ 3.48Å; T71-Y75 WeakPolarHBondContact O-CD2 3.36Å; T71-Y75 PolarHBondContact O-N 2.88Å; Q72-Y75 PolarHBondContact O-N 3.43Å; Q73-Y75 VanDerWaalsContact C-N 3.33Å; Q73-Y75 PolarHBondContact O-N 2.84Å; Y75-C79 WeakPolarHBondContact O-CA 3.41Å; Y75-C79 PolarHBondContact O-N 3.05Å; Y75-P80 HydrophobicContact CD1-CG 4.15Å; Y75-P80 VanDerWaalsContact O-CD 3.23Å; Y75-P80 WeakPolarHBondContact O-CD 3.37Å; Y75-R82 VanDerWaalsContact C-NH2 3.3Å; Y75-R82 PolarHBondContact O-NH2 3.04Å; Y75-L153 PolarHBondContact OH-O 2.99Å; Y75-A154 HydrophobicContact CD1-CB 3.76Å; Y75-A154 HydrophobicContact CD2-CB 4.14Å; Y75-A154 HydrophobicContact CE1-CB 3.72Å; Y75-A154 HydrophobicContact CE2-CB 4.07Å; Y75-A154 HydrophobicContact CG-CB 3.99Å; Y75-T238 WeakPolarHBondContact OH-CG2 3.26Å; Y75-N240 WeakPolarHBondContact CE2-OD1 3.44Å; Y75-N240 PolarHBondContact OH-OD1 3.13Å
76	Y	88.3	Confident	94.1	Very high	130 Å²	130	45.3 Å²	45.3	51%	0.51	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-49	173.6	-178.5	-98.3	0	0	0	111.4	Q72 Q73 H74	Q72-Y76 PolarHBondContact O-N 3.16Å; Q73-Y76 WeakPolarHBondContact O-CA 3.43Å; Q73-Y76 WeakPolarHBondContact O-CB 3.39Å; Q73-Y76 PolarHBondContact O-N 3.03Å; Q73-Y76 VanDerWaalsContact O-N 3.08Å; H74-Y76 VanDerWaalsContact C-N 3.31Å; H74-Y76 PolarHBondContact O-N 3.23Å
77	D	88.6	Confident	94.4	Very high	75 Å²	75	44 Å²	44	40%	0.401	20%	0.201	S	C	.	.	H	α-helix	trans	-69.1	-43.8	-174.8	-64.7	-23.3	0	0	0	112.9	Q73 H74 K316	Q73-D77 PolarHBondContact NE2-OD1 3.47Å; Q73-D77 VanDerWaalsContact O-CG 3.26Å; Q73-D77 PolarHBondContact O-N 2.88Å; H74-D77 PolarHBondContact O-N 3.49Å; D77-K316 PolarHBondContact O-NZ 2.86Å
78	K	89.6	Confident	94.5	Very high	150 Å²	150	42.2 Å²	42.2	65%	0.652	19%	0.194	S	C	*	.	H	α-helix	trans	-79.7	-25.1	180	-65.5	-60.1	-174.6	179.1	0	113.3	H74	H74-K78 WeakPolarHBondContact O-CB 3.5Å; H74-K78 WeakPolarHBondContact O-CG 2.97Å; H74-K78 PolarHBondContact O-N 3.38Å
79	C	88.9	Confident	94.3	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.081	19%	0.191	C	C	.	.			trans	47.9	55.6	-177.3	-162	0	0	0	0	114	Y75 F317 Q333	Y75-C79 WeakPolarHBondContact O-CA 3.41Å; Y75-C79 PolarHBondContact O-N 3.05Å; C79-F317 HydrophobicContact CB-CE2 4.44Å; C79-Q333 PolarHBondContact O-OE1 3.07Å; C79-Q333 PolarHBondContact SG-OE1 3.18Å; C79-Q333 VanDerWaalsContact SG-OE1 3.32Å
80	P	93.3	Very high	94.4	Very high	43 Å²	43	36.3 Å²	36.3	28%	0.279	17%	0.165	S	C	.	.			trans	-70.3	162.1	174.4	33.6	-34.8	0	0	0	110.7	Y75 R82 A154	Y75-P80 HydrophobicContact CD1-CG 4.15Å; Y75-P80 VanDerWaalsContact O-CD 3.23Å; Y75-P80 WeakPolarHBondContact O-CD 3.37Å; P80-R82 PolarHBondContact O-N 3.42Å; P80-R82 PolarHBondContact O-NH1 3.18Å; P80-A154 HydrophobicContact CB-CB 4.38Å; P80-A154 HydrophobicContact CG-CB 3.6Å
81	K	96.4	Very high	94.5	Very high	40 Å²	40	33.8 Å²	33.8	17%	0.174	16%	0.156	C	C	.	.			trans	-57	131.9	163.5	-175.7	171.6	-175.3	177.8	0	109.2	P331 D332 W826 V828	K81-P331 WeakPolarHBondContact CE-O 3.3Å; K81-P331 PolarHBondContact NZ-O 3.18Å; K81-D332 WeakPolarHBondContact CB-O 3.22Å; K81-D332 WeakPolarHBondContact CD-O 3.15Å; K81-D332 WeakPolarHBondContact CG-O 3.3Å; K81-W826 WeakPolarHBondContact CD-O 3.4Å; K81-W826 WeakPolarHBondContact CE-O 3.44Å; K81-W826 PolarHBondContact NZ-O 3.43Å; K81-V828 HydrophobicContact CB-CG1 3.86Å; K81-V828 HydrophobicContact CD-CG1 3.9Å; K81-V828 HydrophobicContact CG-CG1 3.9Å
82	R	97.6	Very high	94.5	Very high	18 Å²	18	35 Å²	35	7%	0.068	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139	-176.9	-70.4	173.7	176.2	75.3	-4.7	110.8	Y75 P80 Y84 A154 Y156 Q333 A335	Y75-R82 VanDerWaalsContact C-NH2 3.3Å; Y75-R82 PolarHBondContact O-NH2 3.04Å; P80-R82 PolarHBondContact O-N 3.42Å; P80-R82 PolarHBondContact O-NH1 3.18Å; R82-Y84 HydrophobicContact CB-CD2 4.45Å; R82-Y84 HydrophobicContact CB-CE2 3.63Å; R82-Y84 VanDerWaalsContact CD-OH 3.28Å; R82-Y84 WeakPolarHBondContact CD-OH 3.42Å; R82-A154 WeakPolarHBondContact CA-O 3.28Å; R82-A154 HydrophobicContact CG-CB 4.34Å; R82-Y156 HydrophobicContact CB-CE2 4.43Å; R82-Y156 HydrophobicContact CG-CE2 4.16Å; R82-Q333 PolarHBondContact N-O 2.98Å; R82-A335 PolarHBondContact O-N 3.42Å
83	V	98.6	Very high	94.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.6	175.8	180	0	0	0	0	109.1	M148 A154 A155 Y156 W826 V828	V83-M148 HydrophobicContact CG1-SD 4.44Å; V83-A154 PolarHBondContact N-O 2.72Å; V83-A155 HydrophobicContact CB-CB 4.13Å; V83-A155 CarbonylContact O-C 3.58Å; V83-A155 VanDerWaalsContact O-CA 3.27Å; V83-A155 WeakPolarHBondContact O-CA 3.33Å; V83-Y156 PolarHBondContact O-N 3.17Å; V83-W826 HydrophobicContact CB-CE3 4.36Å; V83-W826 HydrophobicContact CG1-CD2 3.7Å; V83-W826 HydrophobicContact CG1-CE3 3.74Å; V83-W826 HydrophobicContact CG1-CG 4.31Å; V83-W826 HydrophobicContact CG1-CH2 4.05Å; V83-W826 HydrophobicContact CG1-CZ2 4.02Å; V83-W826 HydrophobicContact CG1-CZ3 3.92Å; V83-W826 HydrophobicContact CG2-CB 4.07Å; V83-W826 HydrophobicContact CG2-CD2 3.96Å; V83-W826 HydrophobicContact CG2-CE3 3.76Å; V83-W826 HydrophobicContact CG2-CG 4.1Å; V83-V828 HydrophobicContact CG2-CG1 4.34Å; V83-V828 HydrophobicContact CG2-CG2 4.05Å
84	Y	98.9	Very high	94.9	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.2	177.8	-60	-81.5	0	0	0	109.2	R82 Y156 Y158 I308 V334 A335 I336 Q337	R82-Y84 HydrophobicContact CB-CD2 4.45Å; R82-Y84 HydrophobicContact CB-CE2 3.63Å; R82-Y84 VanDerWaalsContact CD-OH 3.28Å; R82-Y84 WeakPolarHBondContact CD-OH 3.42Å; Y84-Y156 HydrophobicContact CD1-CD2 4.16Å; Y84-Y156 HydrophobicContact CD1-CG 4.33Å; Y84-Y156 AromaticContact CE1-CD2 3.8Å; Y84-Y156 HydrophobicContact CE1-CD2 3.8Å; Y84-Y156 HydrophobicContact CE1-CE2 4.47Å; Y84-Y156 HydrophobicContact CE1-CG 4.14Å; Y84-Y158 HydrophobicContact CD1-CD2 4.05Å; Y84-Y158 AromaticContact CD1-CE2 3.55Å; Y84-Y158 HydrophobicContact CD1-CE2 3.55Å; Y84-Y158 AromaticContact CE1-CE2 3.98Å; Y84-Y158 HydrophobicContact CE1-CE2 3.98Å; Y84-I308 HydrophobicContact CD1-CD1 3.74Å; Y84-I308 HydrophobicContact CD1-CG1 3.66Å; Y84-I308 HydrophobicContact CD2-CD1 3.81Å; Y84-I308 HydrophobicContact CD2-CG1 4.06Å; Y84-I308 HydrophobicContact CD2-CG2 4.3Å; Y84-I308 HydrophobicContact CE1-CD1 4.23Å; Y84-I308 HydrophobicContact CE1-CG1 3.65Å; Y84-I308 HydrophobicContact CE2-CD1 4.29Å; Y84-I308 HydrophobicContact CE2-CG1 4.04Å; Y84-I308 HydrophobicContact CE2-CG2 3.89Å; Y84-I308 HydrophobicContact CG-CD1 3.49Å; Y84-I308 VanDerWaalsContact CG-CD1 3.49Å; Y84-I308 HydrophobicContact CG-CG1 3.86Å; Y84-V334 HydrophobicContact CD2-CG1 3.82Å; Y84-V334 HydrophobicContact CE2-CB 4.46Å; Y84-V334 HydrophobicContact CE2-CG1 3.85Å; Y84-V334 HydrophobicContact CE2-CG2 4.32Å; Y84-A335 PolarHBondContact N-O 2.71Å; Y84-I336 HydrophobicContact CD2-CG1 4.43Å; Y84-I336 WeakPolarHBondContact O-CA 3.25Å; Y84-Q337 PolarHBondContact O-N 3.03Å
85	Y	98.8	Very high	95.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107.1	179.3	-165.3	-90.8	0	0	0	109.3	F90 A141 F144 Y156 Y158 Q337 N339	Y85-F90 HydrophobicContact CD1-CE1 4.37Å; Y85-F90 HydrophobicContact CD1-CZ 4.33Å; Y85-A141 HydrophobicContact CD1-CB 4.36Å; Y85-A141 HydrophobicContact CE1-CB 3.65Å; Y85-F144 AromaticContact CE2-CD2 3.8Å; Y85-F144 HydrophobicContact CE2-CD2 3.8Å; Y85-F144 HydrophobicContact CE2-CE2 4.29Å; Y85-F144 AromaticContact CZ-CD2 3.86Å; Y85-Y156 PolarHBondContact N-O 3.13Å; Y85-Y158 PolarHBondContact O-N 3.18Å; Y85-Q337 HydrophobicContact CD2-CB 3.79Å; Y85-Q337 HydrophobicContact CD2-CG 3.86Å; Y85-Q337 HydrophobicContact CE2-CB 4.25Å; Y85-Q337 HydrophobicContact CE2-CG 3.79Å; Y85-N339 HydrophobicContact CE1-CB 3.77Å; Y85-N339 PolarHBondContact OH-ND2 3.04Å; Y85-N339 PolarHBondContact OH-OD1 3.37Å
86	L	98.8	Very high	95.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.3	-178.2	-84.1	58	0	0	0	109.1	T304 I336 Q337 N339 P343 A346	L86-T304 HydrophobicContact CD1-CG2 3.85Å; L86-T304 HydrophobicContact CD2-CG2 4.28Å; L86-T304 HydrophobicContact CG-CG2 4.11Å; L86-I336 HydrophobicContact CD1-CG2 3.73Å; L86-I336 HydrophobicContact CD2-CG2 4Å; L86-I336 HydrophobicContact CG-CG2 4.4Å; L86-Q337 PolarHBondContact N-O 3.12Å; L86-N339 VanDerWaalsContact O-CB 3.24Å; L86-N339 WeakPolarHBondContact O-CB 3.33Å; L86-N339 PolarHBondContact O-N 3.07Å; L86-P343 HydrophobicContact CB-CB 3.86Å; L86-P343 HydrophobicContact CB-CG 4.13Å; L86-P343 HydrophobicContact CD2-CB 4.24Å; L86-A346 HydrophobicContact CD2-CB 4.28Å
87	S	97.4	Very high	95.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.			trans	-145.9	137	178.5	-175	0	0	0	0	110.1	E89 F90 Y158 G159 N339	S87-E89 WeakPolarHBondContact CB-O 3.49Å; S87-E89 PolarHBondContact O-N 3.47Å; S87-E89 PolarHBondContact OG-N 3.01Å; S87-E89 VanDerWaalsContact OG-N 3.13Å; S87-E89 PolarHBondContact OG-O 2.94Å; S87-F90 WeakPolarHBondContact O-CE2 3.43Å; S87-Y158 PolarHBondContact N-O 3.31Å; S87-G159 VanDerWaalsContact O-CA 3.25Å; S87-G159 WeakPolarHBondContact O-CA 3.37Å; S87-N339 PolarHBondContact OG-ND2 3.34Å
88	L	95.5	Very high	96.3	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	-75.5	-9.2	169	-90	70.4	0	0	0	112.2	Y162 R293 E297 V300 H342	L88-Y162 WeakPolarHBondContact O-CE2 3.46Å; L88-Y162 PolarHBondContact O-OH 3.38Å; L88-R293 VanDerWaalsContact CD2-CZ 3.41Å; L88-E297 HydrophobicContact CD1-CG 4.46Å; L88-E297 HydrophobicContact CD2-CG 3.6Å; L88-V300 HydrophobicContact CD1-CG1 3.65Å; L88-V300 HydrophobicContact CG-CG1 4.41Å; L88-H342 HydrophobicContact CB-CB 4.37Å; L88-H342 HydrophobicContact CD1-CB 3.71Å; L88-H342 HydrophobicContact CD2-CB 4.13Å; L88-H342 HydrophobicContact CG-CB 4.27Å
89	E	93.8	Very high	96.7	Very high	5 Å²	5	12.8 Å²	12.8	2%	0.023	6%	0.064	C	C	.	.			trans	-128.9	133.8	179.2	-62	-176.8	-149.9	0	0	112.5	S87 L132 N134 L137 G138 L280 Y281	S87-E89 WeakPolarHBondContact CB-O 3.49Å; S87-E89 PolarHBondContact O-N 3.47Å; S87-E89 PolarHBondContact OG-N 3.01Å; S87-E89 VanDerWaalsContact OG-N 3.13Å; S87-E89 PolarHBondContact OG-O 2.94Å; E89-L132 CarbonylContact C-O 3.55Å; E89-L132 VanDerWaalsContact CA-O 3.27Å; E89-L132 WeakPolarHBondContact CA-O 3.3Å; E89-N134 PolarHBondContact OE2-N 3.31Å; E89-L137 HydrophobicContact CB-CD2 3.96Å; E89-L137 HydrophobicContact CG-CD2 4.22Å; E89-G138 VanDerWaalsContact CB-CA 3.5Å; E89-G138 PolarHBondContact OE2-N 3.35Å; E89-L280 HydrophobicContact CG-CD1 4.22Å; E89-Y281 HydrophobicContact CG-CE2 3.88Å; E89-Y281 WeakPolarHBondContact OE1-CE2 3.23Å; E89-Y281 PolarHBondContact OE1-OH 2.83Å
90	F	96.3	Very high	97	Very high	3 Å²	3	12.2 Å²	12.2	1%	0.013	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	96.9	166	-72.4	-82.3	0	0	0	109.5	Y85 S87 M92 L132 A141 L145 Y158 M242 L244	Y85-F90 HydrophobicContact CD1-CE1 4.37Å; Y85-F90 HydrophobicContact CD1-CZ 4.33Å; S87-F90 WeakPolarHBondContact O-CE2 3.43Å; F90-M92 VanDerWaalsContact C-N 3.3Å; F90-M92 HydrophobicContact CB-CG 4.16Å; F90-M92 HydrophobicContact CB-SD 4.21Å; F90-M92 PolarHBondContact O-N 3.41Å; F90-L132 PolarHBondContact N-O 3.44Å; F90-L132 CarbonylContact O-C 3.57Å; F90-L132 WeakPolarHBondContact O-CB 3.18Å; F90-A141 HydrophobicContact CD1-CB 3.77Å; F90-A141 HydrophobicContact CE1-CB 3.76Å; F90-L145 HydrophobicContact CD1-CD1 3.55Å; F90-L145 HydrophobicContact CD1-CG 4.37Å; F90-L145 HydrophobicContact CE1-CD1 3.53Å; F90-L145 HydrophobicContact CE1-CD2 4.4Å; F90-L145 HydrophobicContact CE1-CG 4.01Å; F90-Y158 WeakPolarHBondContact CE2-O 3.42Å; F90-M242 HydrophobicContact CB-SD 3.82Å; F90-M242 HydrophobicContact CD1-SD 3.95Å; F90-M242 HydrophobicContact CD2-SD 4.21Å; F90-M242 HydrophobicContact CG-SD 3.72Å; F90-L244 HydrophobicContact CD2-CD2 4.17Å
91	Y	95.6	Very high	97.1	Very high	16 Å²	16	11 Å²	11	6%	0.063	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	73.7	-176.8	-155.1	0.1	0	0	0	110.6	G138 R139 R650 V651	Y91-G138 PolarHBondContact N-O 2.98Å; Y91-R139 VanDerWaalsContact O-CD 3.29Å; Y91-R139 WeakPolarHBondContact O-CD 3.29Å; Y91-R139 PolarHBondContact O-NH1 2.98Å; Y91-R650 VanDerWaalsContact OH-CA 3.31Å; Y91-R650 WeakPolarHBondContact OH-CA 3.47Å; Y91-R650 WeakPolarHBondContact OH-CB 3.29Å; Y91-V651 HydrophobicContact CD1-CG2 3.64Å; Y91-V651 HydrophobicContact CD2-CG2 4.16Å; Y91-V651 HydrophobicContact CE1-CG2 3.83Å; Y91-V651 HydrophobicContact CE2-CG2 4.34Å; Y91-V651 HydrophobicContact CG-CG2 3.84Å
92	M	96.6	Very high	97.1	Very high	25 Å²	25	9.2 Å²	9.2	12%	0.123	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-39.3	-166.4	-64.4	-57.8	-72.3	0	0	113.4	F90 A130 R139 A142 L145 M242	F90-M92 VanDerWaalsContact C-N 3.3Å; F90-M92 HydrophobicContact CB-CG 4.16Å; F90-M92 HydrophobicContact CB-SD 4.21Å; F90-M92 PolarHBondContact O-N 3.41Å; M92-A130 HydrophobicContact CB-CB 4.05Å; M92-A130 PolarHBondContact N-O 3.03Å; M92-R139 PolarHBondContact O-NH1 3.12Å; M92-A142 HydrophobicContact SD-CB 3.51Å; M92-A142 VanDerWaalsContact SD-CB 3.51Å; M92-L145 HydrophobicContact SD-CD1 4.28Å; M92-M242 HydrophobicContact CE-CE 4.44Å; M92-M242 HydrophobicContact CE-SD 4.41Å; M92-M242 HydrophobicContact CG-CE 4Å; M92-M242 HydrophobicContact CG-SD 4.12Å; M92-M242 HydrophobicContact SD-CE 4.4Å; M92-M242 HydrophobicContact SD-SD 3.94Å
93	G	96.2	Very high	96.9	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.01	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.8	-152.7	-170.3	0	0	0	0	0	111.8	A130	G93-A130 PolarHBondContact O-N 2.91Å; G93-A130 VanDerWaalsContact O-N 3.15Å
94	R	97.9	Very high	96.6	Very high	26 Å²	26	10.9 Å²	10.9	10%	0.098	6%	0.061	C	C	.	.			trans	-76.2	145.6	175.5	-68.8	179.6	178.1	159.2	-4.7	112	E124 E125 E127 D129 R491	R94-E124 PolarHBondContact NE-O 3.19Å; R94-E125 IonicContact CZ-OE2 2.81Å; R94-E125 IonicContact NH1-OE1 2.75Å; R94-E125 PolarHBondContact NH1-OE1 3.37Å; R94-E125 IonicContact NH1-OE2 2.61Å; R94-E125 PolarHBondContact NH1-OE2 2.96Å; R94-E125 PolarHBondContact NH2-O 2.93Å; R94-E125 IonicContact NH2-OE2 3.84Å; R94-E125 PolarHBondContact NH2-OE2 3.47Å; R94-E127 HydrophobicContact CB-CB 4.5Å; R94-E127 HydrophobicContact CB-CG 4.15Å; R94-E127 WeakPolarHBondContact CB-OE2 3.48Å; R94-E127 HydrophobicContact CG-CB 3.99Å; R94-E127 HydrophobicContact CG-CG 3.91Å; R94-E127 PolarHBondContact NE-O 3.35Å; R94-D129 IonicContact NE-OD1 2.67Å; R94-R491 PolarHBondContact O-NH1 2.94Å; R94-R491 PolarHBondContact O-NH2 2.8Å
95	T	98.3	Very high	96.3	Very high	19 Å²	19	11.8 Å²	11.8	12%	0.117	7%	0.066	C	C	.	.			trans	-111.7	-25.7	-171.5	-57.8	0	0	0	0	113.4	N98 T99 E127 W190	T95-N98 PolarHBondContact O-N 2.71Å; T95-T99 WeakPolarHBondContact CG2-OG1 3.41Å; T95-T99 WeakPolarHBondContact O-CB 3.38Å; T95-T99 PolarHBondContact O-N 2.99Å; T95-T99 PolarHBondContact O-OG1 3.02Å; T95-E127 VanDerWaalsContact N-CD 3.26Å; T95-E127 PolarHBondContact N-OE1 2.72Å; T95-E127 PolarHBondContact N-OE2 3Å; T95-E127 VanDerWaalsContact N-OE2 3.13Å; T95-W190 HydrophobicContact CG2-CD2 3.71Å; T95-W190 HydrophobicContact CG2-CE3 4.06Å; T95-W190 HydrophobicContact CG2-CG 3.95Å; T95-W190 HydrophobicContact CG2-CZ2 4.46Å
96	L	98.3	Very high	95.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.4	-59.8	-173.7	178.7	54.8	0	0	0	112.5	Y53 L56 V60 N98 T99 M100 E124 E127 W190	Y53-L96 HydrophobicContact CD2-CD2 3.96Å; Y53-L96 HydrophobicContact CE2-CD2 3.94Å; L56-L96 HydrophobicContact CD2-CD2 3.96Å; L56-L96 HydrophobicContact CG-CD1 4.22Å; L56-L96 HydrophobicContact CG-CD2 4.29Å; V60-L96 HydrophobicContact CB-CD1 4.19Å; V60-L96 HydrophobicContact CG1-CD1 4.42Å; V60-L96 HydrophobicContact CG2-CD1 3.96Å; L96-N98 PolarHBondContact O-N 3.1Å; L96-T99 WeakPolarHBondContact O-CB 3.42Å; L96-T99 PolarHBondContact O-N 3.14Å; L96-M100 HydrophobicContact CD1-CE 4.23Å; L96-M100 HydrophobicContact CD1-CG 4.47Å; L96-M100 HydrophobicContact CD1-SD 4.35Å; L96-M100 HydrophobicContact CG-CE 3.88Å; L96-M100 WeakPolarHBondContact O-CG 3.28Å; L96-M100 PolarHBondContact O-N 3.5Å; L96-E124 HydrophobicContact CD2-CG 4.28Å; L96-E127 WeakPolarHBondContact CB-OE2 3.33Å; L96-E127 PolarHBondContact N-OE1 3.4Å; L96-E127 PolarHBondContact N-OE2 3.34Å; L96-W190 VanDerWaalsContact CA-CZ2 3.47Å; L96-W190 HydrophobicContact CB-CH2 4.46Å; L96-W190 HydrophobicContact CB-CZ2 3.81Å; L96-W190 HydrophobicContact CD1-CH2 3.92Å; L96-W190 HydrophobicContact CD1-CZ2 3.95Å; L96-W190 HydrophobicContact CG-CZ2 4.49Å
97	Q	97.3	Very high	95.5	Very high	38 Å²	38	12.6 Å²	12.6	18%	0.178	7%	0.07	C	C	.	.	H	α-helix	trans	-65.1	-39.2	-176.9	-167.4	174.8	50.1	0	0	112.4	T99 M100 I101 E124 L495	Q97-T99 VanDerWaalsContact C-N 3.3Å; Q97-T99 PolarHBondContact O-N 3.3Å; Q97-M100 HydrophobicContact CB-CE 4.4Å; Q97-M100 PolarHBondContact O-N 2.69Å; Q97-I101 HydrophobicContact CG-CD1 4.12Å; Q97-I101 WeakPolarHBondContact O-CG1 3.47Å; Q97-I101 PolarHBondContact O-N 3.38Å; Q97-E124 WeakPolarHBondContact CG-OE1 3.4Å; Q97-E124 PolarHBondContact NE2-OE1 2.91Å; Q97-E124 VanDerWaalsContact NE2-OE1 3.16Å; Q97-E124 PolarHBondContact NE2-OE2 3.45Å; Q97-L495 HydrophobicContact CB-CD1 4.16Å; Q97-L495 HydrophobicContact CB-CG 4.44Å; Q97-L495 HydrophobicContact CG-CD1 4.17Å; Q97-L495 HydrophobicContact CG-CG 3.97Å; Q97-L495 VanDerWaalsContact OE1-CG 3.23Å
98	N	97.8	Very high	95.2	Very high	16 Å²	16	13 Å²	13	9%	0.086	7%	0.073	C	C	.	.	H	α-helix	trans	-63.2	-37.7	176.2	175.5	-123	0	0	0	112.2	T95 L96 N102 L495	T95-N98 PolarHBondContact O-N 2.71Å; L96-N98 PolarHBondContact O-N 3.1Å; N98-N102 WeakPolarHBondContact O-CB 3.42Å; N98-N102 PolarHBondContact O-N 2.67Å; N98-L495 HydrophobicContact CB-CD1 3.88Å
99	T	97.9	Very high	95.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66	-46.7	174.7	-59.6	0	0	0	0	111.3	V60 L64 T95 L96 Q97 I101 N102 L103 W190	V60-T99 HydrophobicContact CG1-CG2 3.5Å; V60-T99 VanDerWaalsContact CG1-CG2 3.5Å; L64-T99 HydrophobicContact CD1-CG2 3.56Å; L64-T99 HydrophobicContact CD2-CG2 4.02Å; L64-T99 HydrophobicContact CG-CG2 3.83Å; T95-T99 WeakPolarHBondContact CG2-OG1 3.41Å; T95-T99 WeakPolarHBondContact O-CB 3.38Å; T95-T99 PolarHBondContact O-N 2.99Å; T95-T99 PolarHBondContact O-OG1 3.02Å; L96-T99 WeakPolarHBondContact O-CB 3.42Å; L96-T99 PolarHBondContact O-N 3.14Å; Q97-T99 VanDerWaalsContact C-N 3.3Å; Q97-T99 PolarHBondContact O-N 3.3Å; T99-I101 VanDerWaalsContact C-N 3.29Å; T99-I101 PolarHBondContact O-N 3.38Å; T99-N102 PolarHBondContact O-N 3.48Å; T99-L103 HydrophobicContact CG2-CD1 3.84Å; T99-L103 HydrophobicContact CG2-CG 4.32Å; T99-L103 WeakPolarHBondContact O-CB 3.34Å; T99-L103 VanDerWaalsContact O-CG 3.3Å; T99-L103 WeakPolarHBondContact O-CG 3.42Å; T99-L103 PolarHBondContact O-N 3.19Å; T99-W190 HydrophobicContact CG2-CZ3 4.34Å
100	M	96.4	Very high	95.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-41.5	177.6	-70.4	-170.5	-66.1	0	0	111.8	V60 L96 Q97 G104 L105 Q106 C109 I120 E124	V60-M100 HydrophobicContact CG1-CG 3.99Å; V60-M100 HydrophobicContact CG2-CG 3.86Å; V60-M100 HydrophobicContact CG2-SD 4.1Å; L96-M100 HydrophobicContact CD1-CE 4.23Å; L96-M100 HydrophobicContact CD1-CG 4.47Å; L96-M100 HydrophobicContact CD1-SD 4.35Å; L96-M100 HydrophobicContact CG-CE 3.88Å; L96-M100 WeakPolarHBondContact O-CG 3.28Å; L96-M100 PolarHBondContact O-N 3.5Å; Q97-M100 HydrophobicContact CB-CE 4.4Å; Q97-M100 PolarHBondContact O-N 2.69Å; M100-G104 PolarHBondContact O-N 3.06Å; M100-G104 VanDerWaalsContact O-N 3.11Å; M100-L105 PolarHBondContact O-N 2.92Å; M100-Q106 HydrophobicContact CB-CB 4.37Å; M100-Q106 PolarHBondContact O-N 3.3Å; M100-C109 HydrophobicContact SD-CB 3.51Å; M100-C109 VanDerWaalsContact SD-CB 3.51Å; M100-C109 VanDerWaalsContact SD-SG 3.62Å; M100-I120 HydrophobicContact CE-CD1 3.93Å; M100-I120 HydrophobicContact SD-CD1 4.06Å; M100-E124 VanDerWaalsContact CE-OE1 3.3Å; M100-E124 WeakPolarHBondContact CE-OE1 3.36Å
101	I	95	Very high	95	Very high	18 Å²	18	17.9 Å²	17.9	9%	0.092	10%	0.098	C	C	.	.	H	α-helix	trans	-64	-52.2	175.6	-71.9	167.9	0	0	0	111.4	Q97 T99 L103 G104 Y234 L494 L495	Q97-I101 HydrophobicContact CG-CD1 4.12Å; Q97-I101 WeakPolarHBondContact O-CG1 3.47Å; Q97-I101 PolarHBondContact O-N 3.38Å; T99-I101 VanDerWaalsContact C-N 3.29Å; T99-I101 PolarHBondContact O-N 3.38Å; I101-L103 PolarHBondContact O-N 3.49Å; I101-G104 PolarHBondContact O-N 3.33Å; I101-Y234 HydrophobicContact CG2-CD2 4.31Å; I101-Y234 HydrophobicContact CG2-CE2 3.98Å; I101-L494 HydrophobicContact CG2-CD2 3.57Å; I101-L494 HydrophobicContact CG2-CG 4.08Å; I101-L495 VanDerWaalsContact CD1-CA 3.49Å; I101-L495 HydrophobicContact CD1-CB 3.43Å; I101-L495 VanDerWaalsContact CD1-CB 3.43Å; I101-L495 HydrophobicContact CD1-CD1 4.03Å; I101-L495 HydrophobicContact CD1-CG 3.72Å
102	N	96.4	Very high	94.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-66.4	-24	-175.8	-74	-2.4	0	0	0	112.7	N98 T99 D146 P232 M235	N98-N102 WeakPolarHBondContact O-CB 3.42Å; N98-N102 PolarHBondContact O-N 2.67Å; T99-N102 PolarHBondContact O-N 3.48Å; N102-D146 PolarHBondContact ND2-OD1 2.94Å; N102-P232 HydrophobicContact CB-CB 4.11Å; N102-P232 HydrophobicContact CB-CG 4.1Å; N102-P232 PolarHBondContact ND2-O 2.83Å; N102-M235 PolarHBondContact O-N 3.47Å
103	L	93.9	Very high	94.9	Very high	23 Å²	23	16.2 Å²	16.2	12%	0.12	9%	0.091	C	C	.	.	H	α-helix	trans	-89.8	-9.8	174.2	-64.3	-177.3	0	0	0	114.5	H63 L64 T99 I101 L105	H63-L103 HydrophobicContact CB-CD1 3.96Å; L64-L103 HydrophobicContact CD2-CD1 3.89Å; L64-L103 HydrophobicContact CD2-CD2 4Å; L64-L103 HydrophobicContact CD2-CG 4.21Å; L64-L103 HydrophobicContact CG-CD1 4.11Å; T99-L103 HydrophobicContact CG2-CD1 3.84Å; T99-L103 HydrophobicContact CG2-CG 4.32Å; T99-L103 WeakPolarHBondContact O-CB 3.34Å; T99-L103 VanDerWaalsContact O-CG 3.3Å; T99-L103 WeakPolarHBondContact O-CG 3.42Å; T99-L103 PolarHBondContact O-N 3.19Å; I101-L103 PolarHBondContact O-N 3.49Å; L103-L105 HydrophobicContact CB-CB 4.49Å; L103-L105 HydrophobicContact CB-CD1 3.85Å; L103-L105 HydrophobicContact CB-CG 3.86Å; L103-L105 HydrophobicContact CD1-CD1 3.9Å
104	G	92.2	Very high	94.8	Very high	32 Å²	32	23.4 Å²	23.4	33%	0.33	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	32.9	-173.9	0	0	0	0	0	113.5	M100 I101	M100-G104 PolarHBondContact O-N 3.06Å; M100-G104 VanDerWaalsContact O-N 3.11Å; I101-G104 PolarHBondContact O-N 3.33Å
105	L	91.8	Very high	94.6	Very high	22 Å²	22	26.6 Å²	26.6	12%	0.115	14%	0.135	C	C	.	.			trans	-107.7	-5.5	-175.9	-65.7	177.5	0	0	0	114.1	H63 M100 L103 N107 A108 C109	H63-L105 HydrophobicContact CB-CD1 4Å; M100-L105 PolarHBondContact O-N 2.92Å; L103-L105 HydrophobicContact CB-CB 4.49Å; L103-L105 HydrophobicContact CB-CD1 3.85Å; L103-L105 HydrophobicContact CB-CG 3.86Å; L103-L105 HydrophobicContact CD1-CD1 3.9Å; L105-N107 PolarHBondContact O-N 3.28Å; L105-A108 PolarHBondContact O-N 3.4Å; L105-A108 VanDerWaalsContact O-N 3.13Å; L105-C109 PolarHBondContact O-N 3.13Å
106	Q	91.1	Very high	94.4	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.023	13%	0.134	C	C	.	.	H	α-helix	trans	-52.5	-54.5	-172	-172.8	72.2	31.8	0	0	112.9	R17 M100 A108 C109 D110 E124	R17-Q106 HydrophobicContact CB-CB 4.35Å; R17-Q106 HydrophobicContact CG-CB 4.46Å; R17-Q106 HydrophobicContact CG-CG 4.31Å; M100-Q106 HydrophobicContact CB-CB 4.37Å; M100-Q106 PolarHBondContact O-N 3.3Å; Q106-A108 VanDerWaalsContact C-N 3.31Å; Q106-A108 PolarHBondContact O-N 3.23Å; Q106-C109 PolarHBondContact O-N 3.4Å; Q106-D110 WeakPolarHBondContact O-CB 3.42Å; Q106-D110 PolarHBondContact O-N 2.91Å; Q106-E124 PolarHBondContact NE2-OE1 3.42Å; Q106-E124 VanDerWaalsContact NE2-OE1 3.17Å
107	N	89.6	Confident	94.3	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.064	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-34.3	-178.5	-79.4	-13	0	0	0	112.8	I14 R17 G18 V20 L105 E111	I14-N107 PolarHBondContact O-ND2 3.47Å; R17-N107 HydrophobicContact CB-CB 4.29Å; R17-N107 WeakPolarHBondContact CB-ND2 3.36Å; R17-N107 WeakPolarHBondContact CB-OD1 2.95Å; R17-N107 VanDerWaalsContact CD-OD1 3.29Å; R17-N107 WeakPolarHBondContact CD-OD1 3.44Å; R17-N107 WeakPolarHBondContact O-CB 3.2Å; R17-N107 PolarHBondContact O-N 2.8Å; R17-N107 PolarHBondContact O-ND2 2.89Å; G18-N107 PolarHBondContact O-ND2 3.39Å; V20-N107 HydrophobicContact CG2-CB 3.7Å; L105-N107 PolarHBondContact O-N 3.28Å; N107-E111 WeakPolarHBondContact O-CB 3.47Å; N107-E111 PolarHBondContact O-N 3.44Å
108	A	92.1	Very high	94.2	Very high	8 Å²	8	29.9 Å²	29.9	7%	0.066	17%	0.169	C	C	.	.	H	α-helix	trans	-69.3	-38.5	178.4	0	0	0	0	0	111.6	L28 L105 Q106 A112	L28-A108 HydrophobicContact CD1-CB 3.59Å; L105-A108 PolarHBondContact O-N 3.4Å; L105-A108 VanDerWaalsContact O-N 3.13Å; Q106-A108 VanDerWaalsContact C-N 3.31Å; Q106-A108 PolarHBondContact O-N 3.23Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3.18Å
109	C	94.7	Very high	94	Very high	2 Å²	2	32 Å²	32	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-67.4	-44.8	173.2	-71.7	0	0	0	0	111.7	L56 M100 L105 Q106 A112 I113 I120	L56-C109 HydrophobicContact CD1-CB 4.47Å; M100-C109 HydrophobicContact SD-CB 3.51Å; M100-C109 VanDerWaalsContact SD-CB 3.51Å; M100-C109 VanDerWaalsContact SD-SG 3.62Å; L105-C109 PolarHBondContact O-N 3.13Å; Q106-C109 PolarHBondContact O-N 3.4Å; C109-A112 PolarHBondContact O-N 3.38Å; C109-I113 WeakPolarHBondContact O-CB 3.23Å; C109-I113 WeakPolarHBondContact O-CG1 3.42Å; C109-I113 PolarHBondContact O-N 3.49Å; C109-I120 HydrophobicContact CB-CD1 3.95Å
110	D	92.8	Very high	93.8	Very high	55 Å²	55	32.2 Å²	32.2	29%	0.294	18%	0.182	S	C	.	.	H	α-helix	trans	-57.5	-51.6	178.8	-165.6	12.6	0	0	0	110.9	Q106 A112 I113 Y114 I120	Q106-D110 WeakPolarHBondContact O-CB 3.42Å; Q106-D110 PolarHBondContact O-N 2.91Å; D110-A112 PolarHBondContact O-N 3.15Å; D110-I113 PolarHBondContact O-N 3.42Å; D110-Y114 VanDerWaalsContact O-CB 3.31Å; D110-Y114 WeakPolarHBondContact O-CB 3.43Å; D110-Y114 PolarHBondContact O-N 3.16Å; D110-I120 HydrophobicContact CB-CD1 4.49Å; D110-I120 HydrophobicContact CB-CG2 4.39Å; D110-I120 VanDerWaalsContact OD1-CG2 3.27Å; D110-I120 WeakPolarHBondContact OD1-CG2 3.42Å
111	E	92.8	Very high	93.6	Very high	56 Å²	56	36 Å²	36	26%	0.262	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-41.6	176.5	-177.2	60.9	-148.2	0	0	112.5	V20 V25 N107 Y114 Q115	V20-E111 HydrophobicContact CG1-CB 4.31Å; V20-E111 HydrophobicContact CG1-CG 4.26Å; V25-E111 HydrophobicContact CG1-CG 4.17Å; V25-E111 HydrophobicContact CG2-CB 4.3Å; V25-E111 HydrophobicContact CG2-CG 4.13Å; N107-E111 WeakPolarHBondContact O-CB 3.47Å; N107-E111 PolarHBondContact O-N 3.44Å; E111-Y114 PolarHBondContact O-N 3.31Å; E111-Q115 WeakPolarHBondContact O-CG 3.48Å; E111-Q115 PolarHBondContact O-N 2.89Å; E111-Q115 WeakPolarHBondContact OE1-CG 3.34Å; E111-Q115 PolarHBondContact OE1-NE2 3.36Å
112	A	94.3	Very high	93.6	Very high	3 Å²	3	41 Å²	41	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-44.6	178.2	0	0	0	0	0	112.2	V25 L28 K29 A108 C109 D110 L116	V25-A112 HydrophobicContact CG1-CB 4.1Å; L28-A112 HydrophobicContact CB-CB 3.94Å; K29-A112 HydrophobicContact CG-CB 3.8Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3.18Å; C109-A112 PolarHBondContact O-N 3.38Å; D110-A112 PolarHBondContact O-N 3.15Å; A112-L116 WeakPolarHBondContact O-CD1 3.47Å; A112-L116 VanDerWaalsContact O-CG 3.24Å; A112-L116 WeakPolarHBondContact O-CG 3.31Å; A112-L116 PolarHBondContact O-N 3.5Å
113	I	95.7	Very high	93.6	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-71.3	-39.8	-179.3	-66.6	-62.8	0	0	0	110.6	F32 L56 C109 D110 L116 G117 L118 I120 L123	F32-I113 HydrophobicContact CD2-CD1 3.63Å; F32-I113 HydrophobicContact CE2-CD1 3.53Å; F32-I113 HydrophobicContact CG-CD1 4.42Å; F32-I113 HydrophobicContact CZ-CD1 4.27Å; L56-I113 HydrophobicContact CB-CD1 4.5Å; L56-I113 HydrophobicContact CD1-CD1 4.13Å; L56-I113 HydrophobicContact CD1-CG1 4.23Å; L56-I113 HydrophobicContact CD2-CD1 4.29Å; L56-I113 HydrophobicContact CD2-CG1 4.2Å; C109-I113 WeakPolarHBondContact O-CB 3.23Å; C109-I113 WeakPolarHBondContact O-CG1 3.42Å; C109-I113 PolarHBondContact O-N 3.49Å; D110-I113 PolarHBondContact O-N 3.42Å; I113-L116 HydrophobicContact CD1-CD1 4.45Å; I113-L116 CarbonylContact O-C 3.19Å; I113-L116 WeakPolarHBondContact O-CA 3.45Å; I113-L116 WeakPolarHBondContact O-CB 3.33Å; I113-L116 PolarHBondContact O-N 3.22Å; I113-L116 VanDerWaalsContact O-N 3.08Å; I113-G117 PolarHBondContact O-N 3.16Å; I113-L118 CarbonylContact C-O 3.41Å; I113-L118 HydrophobicContact CG2-CB 3.56Å; I113-L118 PolarHBondContact O-N 3.26Å; I113-L118 VanDerWaalsContact O-N 3.11Å; I113-I120 HydrophobicContact CG2-CB 4.19Å; I113-L123 HydrophobicContact CD1-CD1 4.44Å; I113-L123 HydrophobicContact CG2-CD1 4.08Å
114	Y	94.3	Very high	93.7	Very high	153 Å²	153	41 Å²	41	60%	0.6	22%	0.222	S	C	*	.	H	α-helix	trans	-58.1	-49.5	172.6	176.4	-105.1	0	0	0	112.2	D110 E111 L116 G117	D110-Y114 VanDerWaalsContact O-CB 3.31Å; D110-Y114 WeakPolarHBondContact O-CB 3.43Å; D110-Y114 PolarHBondContact O-N 3.16Å; E111-Y114 PolarHBondContact O-N 3.31Å; Y114-L116 PolarHBondContact O-N 3.19Å; Y114-L116 VanDerWaalsContact O-N 3.14Å; Y114-G117 WeakPolarHBondContact O-CA 3.3Å; Y114-G117 PolarHBondContact O-N 3.17Å
115	Q	94.7	Very high	93.8	Very high	92 Å²	92	43.7 Å²	43.7	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-64.5	-18.4	176.8	-71.2	-177.2	20.8	0	0	113.7	K29 E111 G117	K29-Q115 HydrophobicContact CD-CB 4.25Å; E111-Q115 WeakPolarHBondContact O-CG 3.48Å; E111-Q115 PolarHBondContact O-N 2.89Å; E111-Q115 WeakPolarHBondContact OE1-CG 3.34Å; E111-Q115 PolarHBondContact OE1-NE2 3.36Å; Q115-G117 VanDerWaalsContact C-N 3.32Å
116	L	93.4	Very high	94.1	Very high	19 Å²	19	44.1 Å²	44.1	10%	0.099	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-4.5	173.4	-71.5	169.6	0	0	0	112.5	K29 F32 R44 A112 I113 Y114	K29-L116 HydrophobicContact CB-CD1 4.47Å; K29-L116 HydrophobicContact CG-CD1 4.14Å; K29-L116 HydrophobicContact CG-CG 4.17Å; F32-L116 HydrophobicContact CB-CD1 4.26Å; F32-L116 HydrophobicContact CD1-CD1 3.62Å; F32-L116 HydrophobicContact CE1-CD1 4.07Å; F32-L116 HydrophobicContact CG-CD1 3.92Å; R44-L116 PolarHBondContact NH2-O 2.93Å; A112-L116 WeakPolarHBondContact O-CD1 3.47Å; A112-L116 VanDerWaalsContact O-CG 3.24Å; A112-L116 WeakPolarHBondContact O-CG 3.31Å; A112-L116 PolarHBondContact O-N 3.5Å; I113-L116 HydrophobicContact CD1-CD1 4.45Å; I113-L116 CarbonylContact O-C 3.19Å; I113-L116 WeakPolarHBondContact O-CA 3.45Å; I113-L116 WeakPolarHBondContact O-CB 3.33Å; I113-L116 PolarHBondContact O-N 3.22Å; I113-L116 VanDerWaalsContact O-N 3.08Å; Y114-L116 PolarHBondContact O-N 3.19Å; Y114-L116 VanDerWaalsContact O-N 3.14Å
117	G	95.1	Very high	94.4	Very high	69 Å²	69	44.3 Å²	44.3	71%	0.711	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	27.2	178.3	0	0	0	0	0	114.2	I113 Y114 Q115	I113-G117 PolarHBondContact O-N 3.16Å; Y114-G117 WeakPolarHBondContact O-CA 3.3Å; Y114-G117 PolarHBondContact O-N 3.17Å; Q115-G117 VanDerWaalsContact C-N 3.32Å
118	L	96.2	Very high	94.8	Very high	39 Å²	39	47.1 Å²	47.1	20%	0.204	24%	0.241	C	C	.	.			trans	-124.4	157.6	-174.9	-61.5	174.2	0	0	0	110.7	F32 Y52 I113	F32-L118 HydrophobicContact CE1-CD1 4.35Å; F32-L118 HydrophobicContact CZ-CD1 3.8Å; Y52-L118 HydrophobicContact CD1-CD1 3.97Å; Y52-L118 HydrophobicContact CD2-CD1 4.02Å; Y52-L118 HydrophobicContact CD2-CD2 3.66Å; Y52-L118 HydrophobicContact CE1-CD1 4.43Å; Y52-L118 HydrophobicContact CE2-CD2 3.75Å; Y52-L118 HydrophobicContact CG-CD1 3.73Å; Y52-L118 HydrophobicContact CG-CD2 4.26Å; I113-L118 CarbonylContact C-O 3.41Å; I113-L118 HydrophobicContact CG2-CB 3.56Å; I113-L118 PolarHBondContact O-N 3.26Å; I113-L118 VanDerWaalsContact O-N 3.11Å
119	D	94.3	Very high	94.9	Very high	60 Å²	60	47.3 Å²	47.3	32%	0.321	24%	0.241	S	C	.	.			trans	-103.4	121.6	173.2	-173.6	-19.6	0	0	0	110	E121 E122 L123	D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 PolarHBondContact O-N 2.99Å; D119-E121 PolarHBondContact OD1-N 2.96Å; D119-E122 HydrophobicContact CB-CB 4.26Å; D119-E122 HydrophobicContact CB-CG 3.97Å; D119-E122 PolarHBondContact O-N 3.38Å; D119-L123 WeakPolarHBondContact O-CG 3.4Å; D119-L123 PolarHBondContact O-N 3.42Å
120	I	93.9	Very high	94.9	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-33.8	-178.3	-161.6	167.5	0	0	0	112.6	L56 M100 C109 D110 I113 E122 L123 E124	L56-I120 HydrophobicContact CD2-CD1 4.23Å; L56-I120 HydrophobicContact CD2-CG1 4.03Å; M100-I120 HydrophobicContact CE-CD1 3.93Å; M100-I120 HydrophobicContact SD-CD1 4.06Å; C109-I120 HydrophobicContact CB-CD1 3.95Å; D110-I120 HydrophobicContact CB-CD1 4.49Å; D110-I120 HydrophobicContact CB-CG2 4.39Å; D110-I120 VanDerWaalsContact OD1-CG2 3.27Å; D110-I120 WeakPolarHBondContact OD1-CG2 3.42Å; I113-I120 HydrophobicContact CG2-CB 4.19Å; I120-E122 VanDerWaalsContact C-N 3.29Å; I120-E122 PolarHBondContact O-N 3.44Å; I120-L123 PolarHBondContact O-N 2.88Å; I120-L123 VanDerWaalsContact O-N 3.15Å; I120-E124 HydrophobicContact CG1-CG 4.44Å; I120-E124 WeakPolarHBondContact O-CG 3.43Å; I120-E124 PolarHBondContact O-N 2.94Å
121	E	92.5	Very high	94.8	Very high	80 Å²	80	45.3 Å²	45.3	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-65.9	-36.1	179.3	-68.3	-165.6	-173.4	0	0	110.3	D119 L123 E124 E125 K545	D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 PolarHBondContact O-N 2.99Å; D119-E121 PolarHBondContact OD1-N 2.96Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 2.78Å; E121-E124 PolarHBondContact O-N 3.11Å; E121-E125 WeakPolarHBondContact O-CG 3.38Å; E121-E125 PolarHBondContact O-N 2.97Å; E121-E125 VanDerWaalsContact O-N 3.16Å; E121-K545 IonicContact OE1-NZ 3.69Å; E121-K545 PolarHBondContact OE1-NZ 3.04Å; E121-K545 IonicContact OE2-NZ 3.64Å; E121-K545 PolarHBondContact OE2-NZ 3.36Å
122	E	93.4	Very high	94.7	Very high	123 Å²	123	42.8 Å²	42.8	58%	0.575	22%	0.222	S	C	*	.	H	α-helix	trans	-65.5	-37.1	174.6	-67	-167.5	160.7	0	0	112.1	D119 I120 E125 I126	D119-E122 HydrophobicContact CB-CB 4.26Å; D119-E122 HydrophobicContact CB-CG 3.97Å; D119-E122 PolarHBondContact O-N 3.38Å; I120-E122 VanDerWaalsContact C-N 3.29Å; I120-E122 PolarHBondContact O-N 3.44Å; E122-E125 PolarHBondContact O-N 3.35Å; E122-I126 WeakPolarHBondContact O-CG1 3.45Å
123	L	97	Very high	94.3	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-71.6	-38.9	177	-58.3	-174.4	0	0	0	112.2	Y53 L56 I113 D119 I120 E121 E125 I126	Y53-L123 WeakPolarHBondContact CD2-O 3.49Å; L56-L123 HydrophobicContact CD2-CD1 4.17Å; I113-L123 HydrophobicContact CD1-CD1 4.44Å; I113-L123 HydrophobicContact CG2-CD1 4.08Å; D119-L123 WeakPolarHBondContact O-CG 3.4Å; D119-L123 PolarHBondContact O-N 3.42Å; I120-L123 PolarHBondContact O-N 2.88Å; I120-L123 VanDerWaalsContact O-N 3.15Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 2.78Å; L123-E125 PolarHBondContact O-N 2.84Å; L123-I126 HydrophobicContact CD2-CD1 4.17Å; L123-I126 WeakPolarHBondContact O-CB 3.27Å; L123-I126 PolarHBondContact O-N 3.39Å
124	E	96.1	Very high	93.6	Very high	17 Å²	17	43.6 Å²	43.6	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-31.7	175.3	-72.7	173.4	164.9	0	0	111.9	R94 L96 Q97 M100 Q106 I120 E121 I126	R94-E124 PolarHBondContact NE-O 3.19Å; L96-E124 HydrophobicContact CD2-CG 4.28Å; Q97-E124 WeakPolarHBondContact CG-OE1 3.4Å; Q97-E124 PolarHBondContact NE2-OE1 2.91Å; Q97-E124 VanDerWaalsContact NE2-OE1 3.16Å; Q97-E124 PolarHBondContact NE2-OE2 3.45Å; M100-E124 VanDerWaalsContact CE-OE1 3.3Å; M100-E124 WeakPolarHBondContact CE-OE1 3.36Å; Q106-E124 PolarHBondContact NE2-OE1 3.42Å; Q106-E124 VanDerWaalsContact NE2-OE1 3.17Å; I120-E124 HydrophobicContact CG1-CG 4.44Å; I120-E124 WeakPolarHBondContact O-CG 3.43Å; I120-E124 PolarHBondContact O-N 2.94Å; E121-E124 PolarHBondContact O-N 3.11Å; E124-I126 VanDerWaalsContact C-N 3.29Å; E124-I126 PolarHBondContact O-N 2.98Å
125	E	94.9	Very high	93.2	Very high	89 Å²	89	37.2 Å²	37.2	42%	0.416	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.7	176.5	-72.4	-56.9	145.5	0	0	114.6	R94 E121 E122 L123 K656	R94-E125 IonicContact CZ-OE2 2.81Å; R94-E125 IonicContact NH1-OE1 2.75Å; R94-E125 PolarHBondContact NH1-OE1 3.37Å; R94-E125 IonicContact NH1-OE2 2.61Å; R94-E125 PolarHBondContact NH1-OE2 2.96Å; R94-E125 PolarHBondContact NH2-O 2.93Å; R94-E125 IonicContact NH2-OE2 3.84Å; R94-E125 PolarHBondContact NH2-OE2 3.47Å; E121-E125 WeakPolarHBondContact O-CG 3.38Å; E121-E125 PolarHBondContact O-N 2.97Å; E121-E125 VanDerWaalsContact O-N 3.16Å; E122-E125 PolarHBondContact O-N 3.35Å; L123-E125 PolarHBondContact O-N 2.84Å; E125-K656 VanDerWaalsContact CD-NZ 3.29Å; E125-K656 WeakPolarHBondContact OE1-CE 3.46Å; E125-K656 IonicContact OE1-NZ 3.3Å; E125-K656 PolarHBondContact OE1-NZ 3.36Å; E125-K656 IonicContact OE2-NZ 2.93Å; E125-K656 PolarHBondContact OE2-NZ 3.28Å
126	I	97.5	Very high	92.8	Very high	32 Å²	32	34.9 Å²	34.9	16%	0.164	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-24.3	179	-61.3	168.1	0	0	0	112	P49 R50 Y53 E122 L123 E124 E128	P49-I126 HydrophobicContact CB-CD1 3.42Å; P49-I126 VanDerWaalsContact CB-CD1 3.42Å; P49-I126 VanDerWaalsContact O-CD1 3.23Å; P49-I126 WeakPolarHBondContact O-CD1 3.47Å; R50-I126 HydrophobicContact CB-CG2 4.15Å; R50-I126 HydrophobicContact CG-CG2 4.16Å; Y53-I126 HydrophobicContact CD1-CG2 4.21Å; Y53-I126 HydrophobicContact CG-CB 4.3Å; Y53-I126 HydrophobicContact CG-CG2 4.25Å; E122-I126 WeakPolarHBondContact O-CG1 3.45Å; L123-I126 HydrophobicContact CD2-CD1 4.17Å; L123-I126 WeakPolarHBondContact O-CB 3.27Å; L123-I126 PolarHBondContact O-N 3.39Å; E124-I126 VanDerWaalsContact C-N 3.29Å; E124-I126 PolarHBondContact O-N 2.98Å; I126-E128 PolarHBondContact O-N 2.71Å
127	E	98.1	Very high	92.6	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.037	21%	0.209	C	C	.	.	S	Bend	trans	-62.5	128.4	178.6	-173.1	171.1	-163.7	0	0	110.5	Y53 R94 T95 L96 W190	Y53-E127 HydrophobicContact CD2-CB 4.38Å; Y53-E127 HydrophobicContact CE2-CB 3.62Å; Y53-E127 HydrophobicContact CE2-CG 4.01Å; Y53-E127 WeakPolarHBondContact OH-CG 3.44Å; R94-E127 HydrophobicContact CB-CB 4.5Å; R94-E127 HydrophobicContact CB-CG 4.15Å; R94-E127 WeakPolarHBondContact CB-OE2 3.48Å; R94-E127 HydrophobicContact CG-CB 3.99Å; R94-E127 HydrophobicContact CG-CG 3.91Å; R94-E127 PolarHBondContact NE-O 3.35Å; T95-E127 VanDerWaalsContact N-CD 3.26Å; T95-E127 PolarHBondContact N-OE1 2.72Å; T95-E127 PolarHBondContact N-OE2 3Å; T95-E127 VanDerWaalsContact N-OE2 3.13Å; L96-E127 WeakPolarHBondContact CB-OE2 3.33Å; L96-E127 PolarHBondContact N-OE1 3.4Å; L96-E127 PolarHBondContact N-OE2 3.34Å; E127-W190 PolarHBondContact OE1-NE1 2.93Å
128	E	96.3	Very high	92.5	Very high	71 Å²	71	31.9 Å²	31.9	33%	0.332	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-76.6	142.5	172.7	-57.3	-67.8	177.7	0	0	109.6	R50 I126 A130 W183	R50-E128 IonicContact NH2-OE1 3.24Å; I126-E128 PolarHBondContact O-N 2.71Å; E128-A130 PolarHBondContact O-N 2.99Å; E128-W183 HydrophobicContact CB-CB 4.37Å
129	D	95.6	Very high	92.5	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.064	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-66.5	131.9	172	-78.4	54.9	0	0	0	109.7	R94 G131 R650 V651 S652	R94-D129 IonicContact NE-OD1 2.67Å; D129-G131 PolarHBondContact O-N 3.2Å; D129-R650 IonicContact OD1-NE 3.72Å; D129-V651 PolarHBondContact OD2-N 3.08Å; D129-S652 VanDerWaalsContact CG-OG 3.31Å; D129-S652 WeakPolarHBondContact OD1-CB 3.44Å; D129-S652 PolarHBondContact OD1-OG 3.29Å; D129-S652 PolarHBondContact OD2-N 3Å; D129-S652 PolarHBondContact OD2-OG 2.83Å
130	A	94.7	Very high	92.6	Very high	12 Å²	12	27.9 Å²	27.9	10%	0.099	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	83	162.4	0	0	0	0	0	109.5	M92 G93 E128 L132 W183	M92-A130 HydrophobicContact CB-CB 4.05Å; M92-A130 PolarHBondContact N-O 3.03Å; G93-A130 PolarHBondContact O-N 2.91Å; G93-A130 VanDerWaalsContact O-N 3.15Å; E128-A130 PolarHBondContact O-N 2.99Å; A130-L132 PolarHBondContact O-N 3.2Å; A130-W183 HydrophobicContact CB-CE3 4.11Å; A130-W183 HydrophobicContact CB-CH2 4.41Å; A130-W183 HydrophobicContact CB-CZ3 3.86Å
131	G	89.3	Confident	92.7	Very high	4 Å²	4	27.6 Å²	27.6	4%	0.041	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	38	-175.8	0	0	0	0	0	115.2	D129 G133 G165 I166	D129-G131 PolarHBondContact O-N 3.2Å; G131-G133 PolarHBondContact O-N 2.88Å; G131-G165 WeakPolarHBondContact O-CA 3.48Å; G131-I166 PolarHBondContact O-N 3.03Å
132	L	90.9	Very high	93	Very high	3 Å²	3	24 Å²	24	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	26.6	-174	-51.8	174.4	0	0	0	113	E89 F90 A130 Y162 W183 L244 L280	E89-L132 CarbonylContact C-O 3.55Å; E89-L132 VanDerWaalsContact CA-O 3.27Å; E89-L132 WeakPolarHBondContact CA-O 3.3Å; F90-L132 PolarHBondContact N-O 3.44Å; F90-L132 CarbonylContact O-C 3.57Å; F90-L132 WeakPolarHBondContact O-CB 3.18Å; A130-L132 PolarHBondContact O-N 3.2Å; L132-Y162 HydrophobicContact CD2-CD2 4.19Å; L132-W183 HydrophobicContact CD1-CH2 4.25Å; L132-W183 HydrophobicContact CD1-CZ2 4.1Å; L132-W183 HydrophobicContact CD2-CZ2 3.72Å; L132-W183 HydrophobicContact CG-CZ2 4.19Å; L132-L244 HydrophobicContact CD1-CD1 3.42Å; L132-L244 VanDerWaalsContact CD1-CD1 3.42Å; L132-L280 VanDerWaalsContact C-CD2 3.5Å
133	G	87.6	Confident	93.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.108	C	C	.	.			trans	-158.5	157.4	176.9	0	0	0	0	0	111.5	G131 L280	G131-G133 PolarHBondContact O-N 2.88Å; G133-L280 VanDerWaalsContact N-CD2 3.29Å
134	N	80.6	Confident	93.3	Very high	23 Å²	23	18 Å²	18	12%	0.123	11%	0.107	C	C	.	.			trans	-93.7	-26.5	-171.1	-73.9	-3.3	0	0	0	113.9	E89 I166 L280 Y281	E89-N134 PolarHBondContact OE2-N 3.31Å; N134-I166 HydrophobicContact CB-CD1 3.52Å; N134-I166 HydrophobicContact CB-CG1 4.28Å; N134-I166 WeakPolarHBondContact OD1-CB 3.34Å; N134-I166 WeakPolarHBondContact OD1-CD1 3.41Å; N134-I166 WeakPolarHBondContact OD1-CG1 3.45Å; N134-L280 WeakPolarHBondContact OD1-CD2 3.31Å; N134-L280 WeakPolarHBondContact OD1-CG 3.28Å; N134-Y281 WeakPolarHBondContact ND2-CD2 3.45Å; N134-Y281 WeakPolarHBondContact ND2-CE2 3.32Å
135	G	84.9	Confident	93.5	Very high	18 Å²	18	17.3 Å²	17.3	19%	0.186	10%	0.104	C	C	.	.	S	Bend	trans	-178.4	-134.5	-171	0	0	0	0	0	114.2	L137 R139	G135-L137 PolarHBondContact O-N 2.84Å; G135-R139 WeakPolarHBondContact O-CB 3.15Å; G135-R139 PolarHBondContact O-N 3.48Å
136	G	86.4	Confident	93.6	Very high	44 Å²	44	13.4 Å²	13.4	45%	0.454	9%	0.086	S	C	.	.	H	α-helix	trans	-60	-41.8	-172.2	0	0	0	0	0	113.9	R139 L140	G136-R139 PolarHBondContact O-N 2.76Å; G136-L140 VanDerWaalsContact O-CB 3.32Å; G136-L140 WeakPolarHBondContact O-CB 3.13Å; G136-L140 PolarHBondContact O-N 2.64Å
137	L	90	Very high	93.7	Very high	25 Å²	25	11.9 Å²	11.9	13%	0.131	8%	0.078	C	C	.	.	H	α-helix	trans	-63.5	-54.5	-179.7	-177.8	145.2	0	0	0	111.8	E89 G135 R139 L140 A141 N339 D340 H378	E89-L137 HydrophobicContact CB-CD2 3.96Å; E89-L137 HydrophobicContact CG-CD2 4.22Å; G135-L137 PolarHBondContact O-N 2.84Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.47Å; L137-L140 WeakPolarHBondContact O-CB 3.41Å; L137-L140 PolarHBondContact O-N 2.85Å; L137-A141 PolarHBondContact O-N 3.05Å; L137-A141 VanDerWaalsContact O-N 3.13Å; L137-N339 VanDerWaalsContact CD2-ND2 3.32Å; L137-N339 WeakPolarHBondContact CD2-ND2 3.28Å; L137-D340 HydrophobicContact CD1-CB 3.81Å; L137-H378 HydrophobicContact CD1-CB 4.4Å
138	G	91.9	Very high	93.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.5	-34.7	175.6	0	0	0	0	0	113.6	E89 Y91 A142	E89-G138 VanDerWaalsContact CB-CA 3.5Å; E89-G138 PolarHBondContact OE2-N 3.35Å; Y91-G138 PolarHBondContact N-O 2.98Å; G138-A142 PolarHBondContact O-N 2.95Å; G138-A142 VanDerWaalsContact O-N 3.17Å
139	R	96.9	Very high	93.8	Very high	11 Å²	11	8.2 Å²	8.2	4%	0.042	6%	0.061	C	C	.	.	H	α-helix	trans	-73.5	-32.5	178.6	-169.7	56.5	-111	-173.9	-5.7	112.7	Y91 M92 G135 G136 L137 A142 C143 W492	Y91-R139 VanDerWaalsContact O-CD 3.29Å; Y91-R139 WeakPolarHBondContact O-CD 3.29Å; Y91-R139 PolarHBondContact O-NH1 2.98Å; M92-R139 PolarHBondContact O-NH1 3.12Å; G135-R139 WeakPolarHBondContact O-CB 3.15Å; G135-R139 PolarHBondContact O-N 3.48Å; G136-R139 PolarHBondContact O-N 2.76Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.47Å; R139-A142 VanDerWaalsContact CZ-CB 3.47Å; R139-A142 PolarHBondContact O-N 3.04Å; R139-C143 PolarHBondContact O-N 2.7Å; R139-C143 PolarHBondContact O-SG 2.99Å; R139-W492 HydrophobicContact CG-CZ2 4.1Å
140	L	96.1	Very high	93.9	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.016	6%	0.061	C	C	.	.	H	α-helix	trans	-62.6	-49.3	172.3	-176.8	72.7	0	0	0	110.3	G136 L137 A142 C143 F144 N485 T677	G136-L140 VanDerWaalsContact O-CB 3.32Å; G136-L140 WeakPolarHBondContact O-CB 3.13Å; G136-L140 PolarHBondContact O-N 2.64Å; L137-L140 WeakPolarHBondContact O-CB 3.41Å; L137-L140 PolarHBondContact O-N 2.85Å; L140-A142 VanDerWaalsContact C-N 3.27Å; L140-A142 PolarHBondContact O-N 3.27Å; L140-C143 WeakPolarHBondContact O-CB 3.29Å; L140-C143 PolarHBondContact O-N 3.4Å; L140-F144 HydrophobicContact CD1-CD1 4.09Å; L140-F144 HydrophobicContact CD1-CE1 3.42Å; L140-F144 VanDerWaalsContact CD1-CE1 3.42Å; L140-F144 HydrophobicContact CD1-CE2 4.36Å; L140-F144 HydrophobicContact CD1-CZ 3.58Å; L140-F144 HydrophobicContact CD2-CE2 4.02Å; L140-F144 HydrophobicContact CD2-CZ 3.88Å; L140-F144 HydrophobicContact CG-CD1 4.25Å; L140-F144 HydrophobicContact CG-CD2 4.34Å; L140-F144 HydrophobicContact CG-CE1 3.83Å; L140-F144 HydrophobicContact CG-CE2 3.93Å; L140-F144 HydrophobicContact CG-CZ 3.65Å; L140-F144 WeakPolarHBondContact O-CG 3.38Å; L140-F144 PolarHBondContact O-N 3.01Å; L140-N485 HydrophobicContact CD1-CB 3.95Å; L140-N485 VanDerWaalsContact CD2-OD1 3.23Å; L140-N485 WeakPolarHBondContact CD2-OD1 3.3Å; L140-T677 HydrophobicContact CD1-CG2 4.34Å
141	A	97.2	Very high	94.1	Very high	0 Å²	0	8 Å²	8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-54.4	-43.9	175.9	0	0	0	0	0	111.8	Y85 F90 L137 F144 L145	Y85-A141 HydrophobicContact CD1-CB 4.36Å; Y85-A141 HydrophobicContact CE1-CB 3.65Å; F90-A141 HydrophobicContact CD1-CB 3.77Å; F90-A141 HydrophobicContact CE1-CB 3.76Å; L137-A141 PolarHBondContact O-N 3.05Å; L137-A141 VanDerWaalsContact O-N 3.13Å; A141-F144 WeakPolarHBondContact O-CB 3.35Å; A141-F144 PolarHBondContact O-N 2.97Å; A141-L145 WeakPolarHBondContact O-CG 3.48Å; A141-L145 PolarHBondContact O-N 3.05Å
142	A	97.9	Very high	94.4	Very high	3 Å²	3	8.6 Å²	8.6	3%	0.025	7%	0.065	C	C	.	.	H	α-helix	trans	-65.3	-38.4	175.9	0	0	0	0	0	113.5	M92 G138 R139 L140 D146	M92-A142 HydrophobicContact SD-CB 3.51Å; M92-A142 VanDerWaalsContact SD-CB 3.51Å; G138-A142 PolarHBondContact O-N 2.95Å; G138-A142 VanDerWaalsContact O-N 3.17Å; R139-A142 VanDerWaalsContact CZ-CB 3.47Å; R139-A142 PolarHBondContact O-N 3.04Å; L140-A142 VanDerWaalsContact C-N 3.27Å; L140-A142 PolarHBondContact O-N 3.27Å; A142-D146 PolarHBondContact O-N 3.05Å
143	C	98.6	Very high	94.7	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.014	7%	0.066	C	C	.	.	H	α-helix	trans	-66.1	-38.5	172.7	-67.1	0	0	0	0	111.8	R139 L140 D146 S147 T488	R139-C143 PolarHBondContact O-N 2.7Å; R139-C143 PolarHBondContact O-SG 2.99Å; L140-C143 WeakPolarHBondContact O-CB 3.29Å; L140-C143 PolarHBondContact O-N 3.4Å; C143-D146 PolarHBondContact O-N 3.41Å; C143-S147 PolarHBondContact O-N 3.14Å; C143-T488 HydrophobicContact CB-CG2 4.16Å
144	F	98.7	Very high	95.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.4	-41	178	-76.9	4.8	0	0	0	112	Y85 L140 A141 D146 S147 M148 T817 I818 Y821	Y85-F144 AromaticContact CE2-CD2 3.8Å; Y85-F144 HydrophobicContact CE2-CD2 3.8Å; Y85-F144 HydrophobicContact CE2-CE2 4.29Å; Y85-F144 AromaticContact CZ-CD2 3.86Å; L140-F144 HydrophobicContact CD1-CD1 4.09Å; L140-F144 HydrophobicContact CD1-CE1 3.42Å; L140-F144 VanDerWaalsContact CD1-CE1 3.42Å; L140-F144 HydrophobicContact CD1-CE2 4.36Å; L140-F144 HydrophobicContact CD1-CZ 3.58Å; L140-F144 HydrophobicContact CD2-CE2 4.02Å; L140-F144 HydrophobicContact CD2-CZ 3.88Å; L140-F144 HydrophobicContact CG-CD1 4.25Å; L140-F144 HydrophobicContact CG-CD2 4.34Å; L140-F144 HydrophobicContact CG-CE1 3.83Å; L140-F144 HydrophobicContact CG-CE2 3.93Å; L140-F144 HydrophobicContact CG-CZ 3.65Å; L140-F144 WeakPolarHBondContact O-CG 3.38Å; L140-F144 PolarHBondContact O-N 3.01Å; A141-F144 WeakPolarHBondContact O-CB 3.35Å; A141-F144 PolarHBondContact O-N 2.97Å; F144-D146 VanDerWaalsContact C-N 3.35Å; F144-D146 PolarHBondContact O-N 3.4Å; F144-S147 PolarHBondContact O-N 3.1Å; F144-M148 HydrophobicContact CB-CE 4.37Å; F144-M148 WeakPolarHBondContact O-CB 3.31Å; F144-M148 VanDerWaalsContact O-CG 3.27Å; F144-M148 WeakPolarHBondContact O-CG 3.4Å; F144-M148 PolarHBondContact O-N 2.94Å; F144-T817 HydrophobicContact CE1-CG2 3.68Å; F144-T817 HydrophobicContact CZ-CG2 3.58Å; F144-I818 HydrophobicContact CB-CD1 3.83Å; F144-I818 HydrophobicContact CB-CG1 4.41Å; F144-I818 HydrophobicContact CD1-CD1 3.85Å; F144-I818 HydrophobicContact CD1-CG1 4.09Å; F144-I818 HydrophobicContact CD2-CD1 3.91Å; F144-I818 HydrophobicContact CE1-CD1 4.35Å; F144-I818 HydrophobicContact CE2-CD1 4.41Å; F144-I818 HydrophobicContact CG-CD1 3.61Å; F144-I818 HydrophobicContact CG-CG1 4.27Å; F144-Y821 HydrophobicContact CE2-CE2 4.16Å; F144-Y821 HydrophobicContact CZ-CE2 4.08Å
145	L	98.7	Very high	96.1	Very high	4 Å²	4	8.2 Å²	8.2	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-58	-46	174.5	-71.3	179.8	0	0	0	112.3	F90 M92 A141 M148 A149 V231 M242	F90-L145 HydrophobicContact CD1-CD1 3.55Å; F90-L145 HydrophobicContact CD1-CG 4.37Å; F90-L145 HydrophobicContact CE1-CD1 3.53Å; F90-L145 HydrophobicContact CE1-CD2 4.4Å; F90-L145 HydrophobicContact CE1-CG 4.01Å; M92-L145 HydrophobicContact SD-CD1 4.28Å; A141-L145 WeakPolarHBondContact O-CG 3.48Å; A141-L145 PolarHBondContact O-N 3.05Å; L145-M148 HydrophobicContact CD2-CE 3.73Å; L145-M148 HydrophobicContact CG-CE 4.45Å; L145-M148 PolarHBondContact O-N 3.09Å; L145-A149 WeakPolarHBondContact O-CB 3.37Å; L145-A149 PolarHBondContact O-N 3.17Å; L145-V231 HydrophobicContact CB-CG1 3.97Å; L145-V231 HydrophobicContact CD1-CG2 4.44Å; L145-M242 HydrophobicContact CD1-CB 4.09Å; L145-M242 HydrophobicContact CD1-CG 4.05Å; L145-M242 HydrophobicContact CD1-SD 3.86Å
146	D	98.6	Very high	96.7	Very high	7 Å²	7	7.5 Å²	7.5	4%	0.037	6%	0.056	C	C	.	.	H	α-helix	trans	-63.9	-42.3	177.6	176.8	89.2	0	0	0	112	N102 A142 C143 F144 T150 T488 R490	N102-D146 PolarHBondContact ND2-OD1 2.94Å; A142-D146 PolarHBondContact O-N 3.05Å; C143-D146 PolarHBondContact O-N 3.41Å; F144-D146 VanDerWaalsContact C-N 3.35Å; F144-D146 PolarHBondContact O-N 3.4Å; D146-T150 WeakPolarHBondContact O-CB 3.44Å; D146-T150 PolarHBondContact O-N 3.04Å; D146-T150 PolarHBondContact O-OG1 3.33Å; D146-T488 HydrophobicContact CB-CG2 4.47Å; D146-T488 VanDerWaalsContact OD2-CB 3.28Å; D146-T488 WeakPolarHBondContact OD2-CB 3.31Å; D146-T488 PolarHBondContact OD2-OG1 3.21Å; D146-R490 IonicContact OD2-CZ 2.64Å; D146-R490 IonicContact OD2-NE 3.99Å; D146-R490 PolarHBondContact OD2-NE 3.28Å; D146-R490 IonicContact OD2-NH2 3.32Å; D146-R490 PolarHBondContact OD2-NH2 2.95Å
147	S	98.6	Very high	97.3	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.9	-44	174.7	-76.3	0	0	0	0	113.1	C143 F144 A149 T150 L151 R490 S814 D815	C143-S147 PolarHBondContact O-N 3.14Å; F144-S147 PolarHBondContact O-N 3.1Å; S147-A149 VanDerWaalsContact C-N 3.31Å; S147-A149 PolarHBondContact O-N 3.08Å; S147-T150 PolarHBondContact O-N 3.13Å; S147-L151 WeakPolarHBondContact O-CB 3.29Å; S147-L151 VanDerWaalsContact O-CG 3.25Å; S147-L151 WeakPolarHBondContact O-CG 3.45Å; S147-L151 PolarHBondContact O-N 3.34Å; S147-R490 PolarHBondContact OG-NH2 2.74Å; S147-S814 WeakPolarHBondContact OG-CB 3.28Å; S147-S814 PolarHBondContact OG-O 2.99Å; S147-S814 PolarHBondContact OG-OG 3.24Å; S147-D815 WeakPolarHBondContact CA-OD1 3.28Å; S147-D815 VanDerWaalsContact CB-OD1 3.23Å; S147-D815 WeakPolarHBondContact CB-OD1 3.46Å; S147-D815 PolarHBondContact OG-N 3.35Å; S147-D815 PolarHBondContact OG-OD1 2.98Å
148	M	98.6	Very high	97.7	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-61.9	-39.8	177.8	-72.8	-175.5	-66.6	0	0	111.6	V83 F144 L145 G152 L153 A155 I818 W826	V83-M148 HydrophobicContact CG1-SD 4.44Å; F144-M148 HydrophobicContact CB-CE 4.37Å; F144-M148 WeakPolarHBondContact O-CB 3.31Å; F144-M148 VanDerWaalsContact O-CG 3.27Å; F144-M148 WeakPolarHBondContact O-CG 3.4Å; F144-M148 PolarHBondContact O-N 2.94Å; L145-M148 HydrophobicContact CD2-CE 3.73Å; L145-M148 HydrophobicContact CG-CE 4.45Å; L145-M148 PolarHBondContact O-N 3.09Å; M148-G152 PolarHBondContact O-N 3.42Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CG-CD1 4.19Å; M148-L153 PolarHBondContact O-N 2.93Å; M148-A155 HydrophobicContact CB-CB 3.8Å; M148-A155 HydrophobicContact CE-CB 4.12Å; M148-A155 HydrophobicContact CG-CB 4.08Å; M148-A155 HydrophobicContact SD-CB 3.42Å; M148-A155 WeakPolarHBondContact SD-CB 3.34Å; M148-I818 HydrophobicContact CG-CD1 4.01Å; M148-I818 HydrophobicContact CG-CG1 4.24Å; M148-I818 HydrophobicContact CG-CG2 3.7Å; M148-I818 HydrophobicContact SD-CD1 4.49Å; M148-W826 HydrophobicContact SD-CH2 4.07Å; M148-W826 HydrophobicContact SD-CZ3 4.09Å
149	A	98.2	Very high	98	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-67.3	-42	174.2	0	0	0	0	0	112.1	L145 S147 L151 G152 V231 N236 N240	L145-A149 WeakPolarHBondContact O-CB 3.37Å; L145-A149 PolarHBondContact O-N 3.17Å; S147-A149 VanDerWaalsContact C-N 3.31Å; S147-A149 PolarHBondContact O-N 3.08Å; A149-L151 VanDerWaalsContact C-N 3.31Å; A149-L151 PolarHBondContact O-N 3Å; A149-G152 PolarHBondContact O-N 2.93Å; A149-V231 HydrophobicContact CB-CG1 4.08Å; A149-V231 WeakPolarHBondContact CB-O 3.5Å; A149-N236 PolarHBondContact O-ND2 2.95Å; A149-N240 WeakPolarHBondContact CA-ND2 3.34Å; A149-N240 HydrophobicContact CB-CB 4.22Å
150	T	98.1	Very high	98.1	Very high	11 Å²	11	3.9 Å²	3.9	7%	0.067	3%	0.027	C	C	.	.	H	α-helix	trans	-64.4	-35.4	178.3	-61.7	0	0	0	0	112.4	D146 S147 G152 Y234 N236	D146-T150 WeakPolarHBondContact O-CB 3.44Å; D146-T150 PolarHBondContact O-N 3.04Å; D146-T150 PolarHBondContact O-OG1 3.33Å; S147-T150 PolarHBondContact O-N 3.13Å; T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 2.91Å; T150-Y234 PolarHBondContact OG1-N 2.96Å; T150-Y234 VanDerWaalsContact OG1-N 3.08Å; T150-N236 VanDerWaalsContact C-ND2 3.35Å; T150-N236 WeakPolarHBondContact CA-ND2 3.35Å; T150-N236 PolarHBondContact O-ND2 2.97Å
151	L	97.6	Very high	98.2	Very high	8 Å²	8	5 Å²	5	4%	0.042	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	8.1	177.9	-65.8	171	0	0	0	113.9	S147 A149 L153 D815 I818 K819 P830 S831	S147-L151 WeakPolarHBondContact O-CB 3.29Å; S147-L151 VanDerWaalsContact O-CG 3.25Å; S147-L151 WeakPolarHBondContact O-CG 3.45Å; S147-L151 PolarHBondContact O-N 3.34Å; A149-L151 VanDerWaalsContact C-N 3.31Å; A149-L151 PolarHBondContact O-N 3Å; L151-L153 HydrophobicContact CB-CD1 4.45Å; L151-L153 HydrophobicContact CB-CG 4.16Å; L151-L153 PolarHBondContact O-N 3.16Å; L151-D815 HydrophobicContact CD1-CB 4.33Å; L151-I818 HydrophobicContact CD1-CB 3.89Å; L151-I818 HydrophobicContact CD1-CG2 3.56Å; L151-K819 HydrophobicContact CD1-CG 3.92Å; L151-K819 HydrophobicContact CD2-CD 4.43Å; L151-K819 VanDerWaalsContact CD2-CE 3.41Å; L151-K819 HydrophobicContact CD2-CG 4.18Å; L151-P830 HydrophobicContact CB-CB 4.27Å; L151-P830 HydrophobicContact CD2-CB 4.35Å; L151-S831 CarbonylContact C-O 3.57Å; L151-S831 PolarHBondContact O-N 2.64Å
152	G	96.7	Very high	98.1	Very high	18 Å²	18	5 Å²	5	19%	0.186	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	14.4	176.1	0	0	0	0	0	115	M148 A149 T150	M148-G152 PolarHBondContact O-N 3.42Å; A149-G152 PolarHBondContact O-N 2.93Å; T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 2.91Å
153	L	97.8	Very high	97.9	Very high	6 Å²	6	8.7 Å²	8.7	3%	0.031	5%	0.048	C	C	.	.			trans	-74.3	137.2	-177.1	-62.3	179.1	0	0	0	111	Y75 M148 L151 A155 N240 I818 A822 V828	Y75-L153 PolarHBondContact OH-O 2.99Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CG-CD1 4.19Å; M148-L153 PolarHBondContact O-N 2.93Å; L151-L153 HydrophobicContact CB-CD1 4.45Å; L151-L153 HydrophobicContact CB-CG 4.16Å; L151-L153 PolarHBondContact O-N 3.16Å; L153-A155 HydrophobicContact CB-CB 4.43Å; L153-A155 PolarHBondContact O-N 2.88Å; L153-N240 PolarHBondContact O-ND2 3.04Å; L153-N240 PolarHBondContact O-OD1 2.78Å; L153-I818 HydrophobicContact CD1-CG2 3.53Å; L153-A822 HydrophobicContact CD1-CB 4.08Å; L153-V828 HydrophobicContact CD2-CG2 3.95Å
154	A	97.4	Very high	97.5	Very high	10 Å²	10	11.9 Å²	11.9	8%	0.083	6%	0.06	C	C	.	.			trans	-74.3	70.9	175	0	0	0	0	0	111.5	Y75 P80 R82 V83	Y75-A154 HydrophobicContact CD1-CB 3.76Å; Y75-A154 HydrophobicContact CD2-CB 4.14Å; Y75-A154 HydrophobicContact CE1-CB 3.72Å; Y75-A154 HydrophobicContact CE2-CB 4.07Å; Y75-A154 HydrophobicContact CG-CB 3.99Å; P80-A154 HydrophobicContact CB-CB 4.38Å; P80-A154 HydrophobicContact CG-CB 3.6Å; R82-A154 WeakPolarHBondContact CA-O 3.28Å; R82-A154 HydrophobicContact CG-CB 4.34Å; V83-A154 PolarHBondContact N-O 2.72Å
155	A	98.2	Very high	96.9	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.008	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150.1	-170	0	0	0	0	0	113.3	V83 M148 L153	V83-A155 HydrophobicContact CB-CB 4.13Å; V83-A155 CarbonylContact O-C 3.58Å; V83-A155 VanDerWaalsContact O-CA 3.27Å; V83-A155 WeakPolarHBondContact O-CA 3.33Å; M148-A155 HydrophobicContact CB-CB 3.8Å; M148-A155 HydrophobicContact CE-CB 4.12Å; M148-A155 HydrophobicContact CG-CB 4.08Å; M148-A155 HydrophobicContact SD-CB 3.42Å; M148-A155 WeakPolarHBondContact SD-CB 3.34Å; L153-A155 HydrophobicContact CB-CB 4.43Å; L153-A155 PolarHBondContact O-N 2.88Å
156	Y	98.8	Very high	95.8	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.016	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.2	179.5	-57.6	-100.8	0	0	0	110	Q72 R82 V83 Y84 Y85 Y158 T241 R311	Q72-Y156 PolarHBondContact OE1-OH 2.97Å; Q72-Y156 VanDerWaalsContact OE1-OH 3.05Å; R82-Y156 HydrophobicContact CB-CE2 4.43Å; R82-Y156 HydrophobicContact CG-CE2 4.16Å; V83-Y156 PolarHBondContact O-N 3.17Å; Y84-Y156 HydrophobicContact CD1-CD2 4.16Å; Y84-Y156 HydrophobicContact CD1-CG 4.33Å; Y84-Y156 AromaticContact CE1-CD2 3.8Å; Y84-Y156 HydrophobicContact CE1-CD2 3.8Å; Y84-Y156 HydrophobicContact CE1-CE2 4.47Å; Y84-Y156 HydrophobicContact CE1-CG 4.14Å; Y85-Y156 PolarHBondContact N-O 3.13Å; Y156-Y158 HydrophobicContact CG-CE2 4.26Å; Y156-T241 WeakPolarHBondContact CA-O 3.46Å; Y156-R311 VanDerWaalsContact CD1-NH1 3.27Å; Y156-R311 VanDerWaalsContact CE2-NH1 3.3Å
157	G	98.8	Very high	95.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.7	166.5	0	0	0	0	0	110.2	T241 M242 R243	G157-T241 PolarHBondContact N-O 2.84Å; G157-M242 CarbonylContact O-C 3.11Å; G157-M242 WeakPolarHBondContact O-CA 3.44Å; G157-R243 PolarHBondContact O-N 3.28Å
158	Y	98.9	Very high	95.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.6	175.5	-81.4	-97.5	0	0	0	110.7	Y84 Y85 S87 F90 Y156 R243 W245 T304 D307 R311	Y84-Y158 HydrophobicContact CD1-CD2 4.05Å; Y84-Y158 AromaticContact CD1-CE2 3.55Å; Y84-Y158 HydrophobicContact CD1-CE2 3.55Å; Y84-Y158 AromaticContact CE1-CE2 3.98Å; Y84-Y158 HydrophobicContact CE1-CE2 3.98Å; Y85-Y158 PolarHBondContact O-N 3.18Å; S87-Y158 PolarHBondContact N-O 3.31Å; F90-Y158 WeakPolarHBondContact CE2-O 3.42Å; Y156-Y158 HydrophobicContact CG-CE2 4.26Å; Y158-R243 WeakPolarHBondContact CA-O 3.37Å; Y158-R243 HydrophobicContact CD1-CB 4.02Å; Y158-R243 HydrophobicContact CD1-CG 4.05Å; Y158-R243 HydrophobicContact CE1-CB 3.89Å; Y158-R243 VanDerWaalsContact CE1-CD 3.4Å; Y158-R243 HydrophobicContact CE1-CG 3.77Å; Y158-W245 HydrophobicContact CD1-CZ2 4.14Å; Y158-W245 AromaticContact CD1-NE1 3.57Å; Y158-W245 AromaticContact CE1-CZ2 3.79Å; Y158-W245 HydrophobicContact CE1-CZ2 3.79Å; Y158-T304 HydrophobicContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-OG1 3.25Å; Y158-T304 WeakPolarHBondContact CD1-OG1 3.48Å; Y158-T304 HydrophobicContact CD2-CG2 3.96Å; Y158-T304 HydrophobicContact CE1-CG2 3.97Å; Y158-T304 HydrophobicContact CE2-CG2 4.44Å; Y158-T304 HydrophobicContact CG-CG2 3.46Å; Y158-T304 VanDerWaalsContact CG-CG2 3.46Å; Y158-D307 HydrophobicContact CE1-CB 4.47Å; Y158-D307 PolarHBondContact OH-OD2 3.46Å; Y158-R311 PolarHBondContact OH-NH2 3.16Å
159	G	98.4	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	-163.5	-178.3	0	0	0	0	0	112.9	S87 R243 L244 W245	S87-G159 VanDerWaalsContact O-CA 3.25Å; S87-G159 WeakPolarHBondContact O-CA 3.37Å; G159-R243 PolarHBondContact N-O 2.87Å; G159-R243 VanDerWaalsContact N-O 3.11Å; G159-L244 WeakPolarHBondContact O-CA 3.44Å; G159-W245 PolarHBondContact O-N 2.89Å
160	I	98.2	Very high	94.9	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.015	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.4	178.9	-59.5	179.9	0	0	0	109.6	Y162 Q296 V300	I160-Y162 HydrophobicContact CB-CD1 4.49Å; I160-Y162 HydrophobicContact CB-CD2 4.3Å; I160-Y162 HydrophobicContact CB-CE1 4.03Å; I160-Y162 HydrophobicContact CB-CE2 3.79Å; I160-Y162 HydrophobicContact CD1-CE1 4.32Å; I160-Y162 HydrophobicContact CG2-CD1 3.85Å; I160-Y162 HydrophobicContact CG2-CD2 4.37Å; I160-Y162 HydrophobicContact CG2-CE1 3.67Å; I160-Y162 HydrophobicContact CG2-CE2 4.2Å; I160-Y162 HydrophobicContact CG2-CG 4.21Å; I160-Y162 PolarHBondContact O-N 3.21Å; I160-Q296 HydrophobicContact CD1-CB 3.78Å; I160-Q296 HydrophobicContact CD1-CG 4.2Å; I160-Q296 WeakPolarHBondContact CD1-O 3.3Å; I160-V300 HydrophobicContact CD1-CB 4.26Å; I160-V300 HydrophobicContact CG1-CB 3.89Å; I160-V300 HydrophobicContact CG1-CG2 4.37Å
161	R	97.9	Very high	94.9	Very high	27 Å²	27	20.4 Å²	20.4	10%	0.102	10%	0.1	C	C	.	.			trans	-86.2	83.7	172	-173.3	-178.9	174.2	-80.6	6.9	108.5	E163 L184 E191 Y227 L244 W245	R161-E163 PolarHBondContact O-N 2.89Å; R161-L184 VanDerWaalsContact CZ-CD1 3.43Å; R161-L184 VanDerWaalsContact NH1-CD1 3.27Å; R161-L184 VanDerWaalsContact NH2-CD1 3.32Å; R161-L184 VanDerWaalsContact NH2-CD2 3.35Å; R161-E191 IonicContact CZ-OE1 3.32Å; R161-E191 IonicContact CZ-OE2 2.67Å; R161-E191 IonicContact NE-OE1 3.45Å; R161-E191 PolarHBondContact NE-OE1 2.7Å; R161-E191 IonicContact NE-OE2 2.69Å; R161-E191 PolarHBondContact NE-OE2 3.2Å; R161-E191 IonicContact NH2-OE1 2.85Å; R161-E191 PolarHBondContact NH2-OE1 3.45Å; R161-E191 IonicContact NH2-OE2 3.34Å; R161-E191 PolarHBondContact NH2-OE2 3.09Å; R161-Y227 VanDerWaalsContact CD-CD2 3.46Å; R161-Y227 VanDerWaalsContact CD-CG 3.43Å; R161-L244 HydrophobicContact CB-CB 3.69Å; R161-W245 PolarHBondContact N-O 3.23Å
162	Y	96.3	Very high	94.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.			trans	-66.1	131.7	176.2	-59.2	-75.8	0	0	0	111	L88 L132 I160 Y164 W183 S277 V279 L280	L88-Y162 WeakPolarHBondContact O-CE2 3.46Å; L88-Y162 PolarHBondContact O-OH 3.38Å; L132-Y162 HydrophobicContact CD2-CD2 4.19Å; I160-Y162 HydrophobicContact CB-CD1 4.49Å; I160-Y162 HydrophobicContact CB-CD2 4.3Å; I160-Y162 HydrophobicContact CB-CE1 4.03Å; I160-Y162 HydrophobicContact CB-CE2 3.79Å; I160-Y162 HydrophobicContact CD1-CE1 4.32Å; I160-Y162 HydrophobicContact CG2-CD1 3.85Å; I160-Y162 HydrophobicContact CG2-CD2 4.37Å; I160-Y162 HydrophobicContact CG2-CE1 3.67Å; I160-Y162 HydrophobicContact CG2-CE2 4.2Å; I160-Y162 HydrophobicContact CG2-CG 4.21Å; I160-Y162 PolarHBondContact O-N 3.21Å; Y162-Y164 VanDerWaalsContact C-N 3.31Å; Y162-Y164 WeakPolarHBondContact CB-O 3.16Å; Y162-W183 PolarHBondContact O-NE1 2.85Å; Y162-S277 VanDerWaalsContact CA-O 3.31Å; Y162-S277 WeakPolarHBondContact CA-O 3.47Å; Y162-V279 VanDerWaalsContact CD1-C 3.47Å; Y162-V279 WeakPolarHBondContact CD1-O 3.34Å; Y162-V279 WeakPolarHBondContact CE1-O 3.26Å; Y162-L280 HydrophobicContact CD1-CB 4.23Å; Y162-L280 HydrophobicContact CD2-CB 3.99Å; Y162-L280 HydrophobicContact CD2-CD1 4.05Å; Y162-L280 HydrophobicContact CD2-CG 4.49Å; Y162-L280 HydrophobicContact CE1-CB 4.43Å; Y162-L280 HydrophobicContact CE1-CD1 4.47Å; Y162-L280 HydrophobicContact CE2-CB 4.22Å; Y162-L280 HydrophobicContact CE2-CD1 3.49Å; Y162-L280 VanDerWaalsContact CE2-CD1 3.49Å; Y162-L280 HydrophobicContact CE2-CG 4.37Å; Y162-L280 HydrophobicContact CG-CB 3.98Å
163	E	93.1	Very high	94.8	Very high	81 Å²	81	32.7 Å²	32.7	38%	0.379	15%	0.152	S	C	.	.	S	Bend	trans	-66.8	-38.7	173	-167.6	173.8	177.6	0	0	111.2	R161 W183 L184 S277 R278	R161-E163 PolarHBondContact O-N 2.89Å; E163-W183 VanDerWaalsContact O-CD1 3.32Å; E163-W183 PolarHBondContact O-NE1 3.35Å; E163-L184 HydrophobicContact CG-CD1 4.44Å; E163-S277 PolarHBondContact N-O 3.12Å; E163-R278 PolarHBondContact N-O 2.93Å
164	Y	90.9	Very high	94.7	Very high	68 Å²	68	32.9 Å²	32.9	27%	0.267	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-119.6	125.6	175	-55.4	-81.6	0	0	0	111	Y162 A180 D181 D182 R278 V279 L280	Y162-Y164 VanDerWaalsContact C-N 3.31Å; Y162-Y164 WeakPolarHBondContact CB-O 3.16Å; Y164-A180 HydrophobicContact CD1-CB 3.77Å; Y164-A180 HydrophobicContact CE1-CB 3.98Å; Y164-D181 WeakPolarHBondContact CA-O 3.44Å; Y164-D182 HydrophobicContact CD1-CB 4.31Å; Y164-D182 HydrophobicContact CE1-CB 3.95Å; Y164-R278 HydrophobicContact CD2-CG 3.89Å; Y164-R278 WeakPolarHBondContact CD2-O 3.23Å; Y164-R278 HydrophobicContact CE2-CG 4.02Å; Y164-R278 PolarHBondContact N-O 3.44Å; Y164-V279 WeakPolarHBondContact O-CA 3.5Å; Y164-L280 PolarHBondContact O-N 3.21Å
165	G	84.5	Confident	94.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	17%	0.166	C	C	.	.			trans	-71.6	-158	174.9	0	0	0	0	0	114	G131 F167	G131-G165 WeakPolarHBondContact O-CA 3.48Å; G165-F167 PolarHBondContact O-N 3.37Å
166	I	75.4	Confident	94.7	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.077	17%	0.168	C	C	.	.	S	Bend	trans	-72.9	42.4	-179.3	-160.9	-162	0	0	0	114.6	G131 N134 L280 K609	G131-I166 PolarHBondContact O-N 3.03Å; N134-I166 HydrophobicContact CB-CD1 3.52Å; N134-I166 HydrophobicContact CB-CG1 4.28Å; N134-I166 WeakPolarHBondContact OD1-CB 3.34Å; N134-I166 WeakPolarHBondContact OD1-CD1 3.41Å; N134-I166 WeakPolarHBondContact OD1-CG1 3.45Å; I166-L280 HydrophobicContact CB-CD2 4.11Å; I166-K609 HydrophobicContact CD1-CD 4.47Å; I166-K609 HydrophobicContact CG2-CD 4.29Å
167	F	90.1	Very high	94.6	Very high	25 Å²	25	38.7 Å²	38.7	11%	0.11	18%	0.179	C	C	.	.			trans	54.8	147	-176.9	70.4	-98.5	0	0	0	116.1	G165 Q169 E178 E179 K609 A610 P612	G165-F167 PolarHBondContact O-N 3.37Å; F167-Q169 HydrophobicContact CE2-CB 4.29Å; F167-E178 HydrophobicContact CB-CB 4.15Å; F167-E178 HydrophobicContact CD1-CG 4.06Å; F167-E178 HydrophobicContact CD2-CB 3.91Å; F167-E178 HydrophobicContact CD2-CG 3.59Å; F167-E178 HydrophobicContact CE1-CG 4.19Å; F167-E178 HydrophobicContact CE2-CG 3.71Å; F167-E178 HydrophobicContact CG-CB 3.95Å; F167-E178 HydrophobicContact CG-CG 3.78Å; F167-E178 HydrophobicContact CZ-CG 4.02Å; F167-E179 CarbonylContact C-O 3.58Å; F167-E179 VanDerWaalsContact CA-O 3.3Å; F167-E179 WeakPolarHBondContact CA-O 3.21Å; F167-E179 VanDerWaalsContact CB-O 3.32Å; F167-E179 WeakPolarHBondContact CB-O 3.35Å; F167-K609 HydrophobicContact CD2-CD 4.47Å; F167-K609 HydrophobicContact CE2-CB 4.22Å; F167-K609 HydrophobicContact CE2-CD 3.91Å; F167-K609 HydrophobicContact CE2-CG 4.21Å; F167-K609 HydrophobicContact CZ-CB 3.94Å; F167-K609 HydrophobicContact CZ-CD 4.12Å; F167-K609 HydrophobicContact CZ-CG 4.38Å; F167-K609 PolarHBondContact O-NZ 3.06Å; F167-A610 WeakPolarHBondContact CZ-O 3.47Å; F167-P612 HydrophobicContact CD1-CG 4.07Å; F167-P612 HydrophobicContact CE1-CG 3.76Å
168	N	93.1	Very high	94.3	Very high	41 Å²	41	41.6 Å²	41.6	22%	0.219	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	126	166	-79.4	-51.8	0	0	0	109.6	E179 D181 N648	N168-E179 HydrophobicContact CB-CB 4.38Å; N168-E179 PolarHBondContact N-O 3.26Å; N168-E179 PolarHBondContact O-N 3.37Å; N168-D181 PolarHBondContact ND2-OD1 3.37Å; N168-N648 PolarHBondContact OD1-ND2 3.31Å
169	Q	96.1	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.6	178.1	-170.6	-167.8	37.5	0	0	109.5	F167 I171 Q176 G608 K609 E647 N648	F167-Q169 HydrophobicContact CE2-CB 4.29Å; Q169-I171 HydrophobicContact CG-CD1 4.41Å; Q169-Q176 HydrophobicContact CG-CG 3.83Å; Q169-G608 PolarHBondContact NE2-O 3.04Å; Q169-K609 HydrophobicContact CB-CG 4.21Å; Q169-E647 WeakPolarHBondContact O-CG 3.48Å; Q169-N648 HydrophobicContact CB-CB 4.12Å; Q169-N648 PolarHBondContact N-OD1 3.02Å; Q169-N648 VanDerWaalsContact N-OD1 3.16Å; Q169-N648 WeakPolarHBondContact O-CB 3.26Å
170	K	97.1	Very high	93.7	Very high	76 Å²	76	48.2 Å²	48.2	33%	0.33	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.8	166.6	-69.2	-55.6	-173.5	178.7	0	110.8	Q176 V177 E179 E647	K170-Q176 CarbonylContact O-C 3.53Å; K170-Q176 WeakPolarHBondContact O-CA 3.49Å; K170-V177 HydrophobicContact CB-CB 4.42Å; K170-V177 PolarHBondContact N-O 3.22Å; K170-V177 PolarHBondContact O-N 2.92Å; K170-E179 HydrophobicContact CG-CG 4.28Å; K170-E179 WeakPolarHBondContact CG-OE1 3.35Å; K170-E647 WeakPolarHBondContact CD-OE1 3.5Å; K170-E647 IonicContact NZ-OE1 3.94Å; K170-E647 PolarHBondContact NZ-OE1 2.9Å
171	I	97.1	Very high	93.3	Very high	44 Å²	44	48.8 Å²	48.8	23%	0.226	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.9	171.9	-56	-56.8	0	0	0	109	Q169 W175 Q176 I621 T625 F645 E647	Q169-I171 HydrophobicContact CG-CD1 4.41Å; I171-W175 CarbonylContact C-O 3.43Å; I171-W175 VanDerWaalsContact CA-O 3.29Å; I171-W175 WeakPolarHBondContact CA-O 3.28Å; I171-Q176 HydrophobicContact CD1-CB 4.48Å; I171-I621 HydrophobicContact CD1-CG2 4Å; I171-T625 HydrophobicContact CG2-CG2 4.17Å; I171-F645 HydrophobicContact CD1-CD1 3.89Å; I171-F645 HydrophobicContact CD1-CE1 3.65Å; I171-F645 HydrophobicContact CG1-CD1 3.86Å; I171-F645 HydrophobicContact CG1-CE1 4.05Å; I171-E647 HydrophobicContact CG1-CB 4.18Å; I171-E647 HydrophobicContact CG1-CG 4.24Å; I171-E647 PolarHBondContact N-OE2 3.34Å
172	R	96.8	Very high	93	Very high	135 Å²	135	49.9 Å²	49.9	51%	0.509	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.8	176.4	-59.4	-170.2	-170.8	174.8	0.1	109.2	G174 W175 V177 E179	R172-G174 PolarHBondContact O-N 3.5Å; R172-G174 VanDerWaalsContact O-N 3.1Å; R172-W175 PolarHBondContact N-O 3.41Å; R172-W175 WeakPolarHBondContact O-CB 3.27Å; R172-W175 PolarHBondContact O-N 2.97Å; R172-V177 HydrophobicContact CB-CG2 4.01Å; R172-V177 HydrophobicContact CG-CG2 4.02Å; R172-E179 IonicContact CZ-OE1 2.71Å; R172-E179 IonicContact NH2-OE1 3.86Å; R172-E179 PolarHBondContact NH2-OE1 3.06Å
173	D	95.4	Very high	93	Very high	150 Å²	150	50.7 Å²	50.7	80%	0.802	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	34.5	-175.2	-55.2	-48.9	0	0	0	113.4	W175 K622	D173-W175 VanDerWaalsContact C-N 3.29Å; D173-W175 PolarHBondContact O-N 2.89Å; D173-K622 PolarHBondContact O-NZ 3.19Å
174	G	96.3	Very high	93.1	Very high	9 Å²	9	47.9 Å²	47.9	9%	0.093	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-1.5	-177.2	0	0	0	0	0	115.5	R172 K622 T625	R172-G174 PolarHBondContact O-N 3.5Å; R172-G174 VanDerWaalsContact O-N 3.1Å; G174-K622 WeakPolarHBondContact O-CA 3.49Å; G174-T625 VanDerWaalsContact CA-OG1 3.23Å; G174-T625 WeakPolarHBondContact CA-OG1 3.28Å; G174-T625 PolarHBondContact O-OG1 2.78Å
175	W	98.2	Very high	93.3	Very high	84 Å²	84	51.3 Å²	51.3	32%	0.318	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.2	177.5	-66.7	98.4	0	0	0	112.6	I171 R172 D173 M619 K622 L758	I171-W175 CarbonylContact C-O 3.43Å; I171-W175 VanDerWaalsContact CA-O 3.29Å; I171-W175 WeakPolarHBondContact CA-O 3.28Å; R172-W175 PolarHBondContact N-O 3.41Å; R172-W175 WeakPolarHBondContact O-CB 3.27Å; R172-W175 PolarHBondContact O-N 2.97Å; D173-W175 VanDerWaalsContact C-N 3.29Å; D173-W175 PolarHBondContact O-N 2.89Å; W175-M619 HydrophobicContact CH2-CE 4.31Å; W175-M619 HydrophobicContact CH2-SD 3.45Å; W175-M619 WeakPolarHBondContact CH2-SD 3.46Å; W175-M619 HydrophobicContact CZ3-SD 3.73Å; W175-K622 HydrophobicContact CD2-CB 4.02Å; W175-K622 HydrophobicContact CD2-CD 3.94Å; W175-K622 HydrophobicContact CD2-CG 3.97Å; W175-K622 HydrophobicContact CE3-CB 3.79Å; W175-K622 HydrophobicContact CE3-CG 4.19Å; W175-K622 HydrophobicContact CG-CD 4.15Å; W175-K622 HydrophobicContact CH2-CB 4.08Å; W175-K622 HydrophobicContact CH2-CG 3.95Å; W175-K622 HydrophobicContact CZ2-CB 4.28Å; W175-K622 HydrophobicContact CZ2-CD 4.2Å; W175-K622 HydrophobicContact CZ2-CG 3.71Å; W175-K622 HydrophobicContact CZ3-CB 3.82Å; W175-K622 HydrophobicContact CZ3-CG 4.17Å; W175-L758 HydrophobicContact CH2-CD1 4.27Å; W175-L758 HydrophobicContact CZ2-CD1 3.88Å
176	Q	97.8	Very high	93.8	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.2	166.6	171.6	172.7	-57.9	0	0	110.6	Q169 K170 I171 E178 A610 I621	Q169-Q176 HydrophobicContact CG-CG 3.83Å; K170-Q176 CarbonylContact O-C 3.53Å; K170-Q176 WeakPolarHBondContact O-CA 3.49Å; I171-Q176 HydrophobicContact CD1-CB 4.48Å; Q176-E178 WeakPolarHBondContact CG-OE1 3.38Å; Q176-E178 PolarHBondContact NE2-OE1 3.2Å; Q176-A610 PolarHBondContact NE2-O 2.98Å; Q176-I621 HydrophobicContact CB-CD1 3.97Å; Q176-I621 VanDerWaalsContact OE1-CD1 3.23Å
177	V	95.9	Very high	94.8	Very high	43 Å²	43	57.6 Å²	57.6	26%	0.261	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132	168	178.8	0	0	0	0	108.2	K170 R172	K170-V177 HydrophobicContact CB-CB 4.42Å; K170-V177 PolarHBondContact N-O 3.22Å; K170-V177 PolarHBondContact O-N 2.92Å; R172-V177 HydrophobicContact CB-CG2 4.01Å; R172-V177 HydrophobicContact CG-CG2 4.02Å
178	E	93.4	Very high	95.2	Very high	62 Å²	62	57.8 Å²	57.8	29%	0.29	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.4	176.8	-61.3	81	-162	0	0	111.1	F167 Q176 P612 K618	F167-E178 HydrophobicContact CB-CB 4.15Å; F167-E178 HydrophobicContact CD1-CG 4.06Å; F167-E178 HydrophobicContact CD2-CB 3.91Å; F167-E178 HydrophobicContact CD2-CG 3.59Å; F167-E178 HydrophobicContact CE1-CG 4.19Å; F167-E178 HydrophobicContact CE2-CG 3.71Å; F167-E178 HydrophobicContact CG-CB 3.95Å; F167-E178 HydrophobicContact CG-CG 3.78Å; F167-E178 HydrophobicContact CZ-CG 4.02Å; Q176-E178 WeakPolarHBondContact CG-OE1 3.38Å; Q176-E178 PolarHBondContact NE2-OE1 3.2Å; E178-P612 HydrophobicContact CG-CB 4.38Å; E178-P612 HydrophobicContact CG-CG 4.14Å; E178-K618 VanDerWaalsContact CD-NZ 3.26Å; E178-K618 WeakPolarHBondContact OE1-CE 3.45Å; E178-K618 IonicContact OE1-NZ 2.82Å; E178-K618 PolarHBondContact OE1-NZ 3.06Å; E178-K618 IonicContact OE2-NZ 3.67Å; E178-K618 PolarHBondContact OE2-NZ 3.3Å
179	E	93.1	Very high	95.4	Very high	69 Å²	69	56.3 Å²	56.3	32%	0.322	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149	170	-67.3	177.7	179.7	0	0	109.5	F167 N168 K170 R172 D181	F167-E179 CarbonylContact C-O 3.58Å; F167-E179 VanDerWaalsContact CA-O 3.3Å; F167-E179 WeakPolarHBondContact CA-O 3.21Å; F167-E179 VanDerWaalsContact CB-O 3.32Å; F167-E179 WeakPolarHBondContact CB-O 3.35Å; N168-E179 HydrophobicContact CB-CB 4.38Å; N168-E179 PolarHBondContact N-O 3.26Å; N168-E179 PolarHBondContact O-N 3.37Å; K170-E179 HydrophobicContact CG-CG 4.28Å; K170-E179 WeakPolarHBondContact CG-OE1 3.35Å; R172-E179 IonicContact CZ-OE1 2.71Å; R172-E179 IonicContact NH2-OE1 3.86Å; R172-E179 PolarHBondContact NH2-OE1 3.06Å; E179-D181 PolarHBondContact O-N 2.82Å
180	A	91.3	Very high	95.5	Very high	70 Å²	70	56.6 Å²	56.6	58%	0.579	28%	0.281	S	S	*	.			trans	-61.9	139.1	179.4	0	0	0	0	0	111.4	Y164 D182	Y164-A180 HydrophobicContact CD1-CB 3.77Å; Y164-A180 HydrophobicContact CE1-CB 3.98Å; A180-D182 PolarHBondContact O-N 3.1Å
181	D	90	Very high	95.6	Very high	14 Å²	14	54.4 Å²	54.4	8%	0.075	27%	0.272	C	S	.	.			trans	-93.1	81.9	176.7	-179.6	33.8	0	0	0	111	Y164 N168 E179 W183	Y164-D181 WeakPolarHBondContact CA-O 3.44Å; N168-D181 PolarHBondContact ND2-OD1 3.37Å; E179-D181 PolarHBondContact O-N 2.82Å; D181-W183 PolarHBondContact O-N 2.9Å
182	D	91.7	Very high	95.6	Very high	50 Å²	50	56.1 Å²	56.1	27%	0.267	28%	0.278	S	S	.	.			trans	-82.7	60.1	-177.9	-169.9	9.2	0	0	0	112.1	Y164 A180 L184 R185	Y164-D182 HydrophobicContact CD1-CB 4.31Å; Y164-D182 HydrophobicContact CE1-CB 3.95Å; A180-D182 PolarHBondContact O-N 3.1Å; D182-L184 PolarHBondContact O-N 2.93Å; D182-R185 HydrophobicContact CB-CB 4.47Å; D182-R185 WeakPolarHBondContact O-CB 3.49Å; D182-R185 PolarHBondContact O-N 3.13Å; D182-R185 PolarHBondContact OD1-N 3.36Å; D182-R185 WeakPolarHBondContact OD2-CB 3.45Å
183	W	95	Very high	95.7	Very high	17 Å²	17	51.2 Å²	51.2	6%	0.064	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.2	-176.9	74.3	-73.2	0	0	0	113.3	E128 A130 L132 Y162 E163 D181 N188	E128-W183 HydrophobicContact CB-CB 4.37Å; A130-W183 HydrophobicContact CB-CE3 4.11Å; A130-W183 HydrophobicContact CB-CH2 4.41Å; A130-W183 HydrophobicContact CB-CZ3 3.86Å; L132-W183 HydrophobicContact CD1-CH2 4.25Å; L132-W183 HydrophobicContact CD1-CZ2 4.1Å; L132-W183 HydrophobicContact CD2-CZ2 3.72Å; L132-W183 HydrophobicContact CG-CZ2 4.19Å; Y162-W183 PolarHBondContact O-NE1 2.85Å; E163-W183 VanDerWaalsContact O-CD1 3.32Å; E163-W183 PolarHBondContact O-NE1 3.35Å; D181-W183 PolarHBondContact O-N 2.9Å; W183-N188 HydrophobicContact CZ3-CB 4.19Å
184	L	96	Very high	95.8	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.12	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.9	179.8	-67.9	173.1	0	0	0	114.3	R161 E163 D182 Y186 G187 N188	R161-L184 VanDerWaalsContact CZ-CD1 3.43Å; R161-L184 VanDerWaalsContact NH1-CD1 3.27Å; R161-L184 VanDerWaalsContact NH2-CD1 3.32Å; R161-L184 VanDerWaalsContact NH2-CD2 3.35Å; E163-L184 HydrophobicContact CG-CD1 4.44Å; D182-L184 PolarHBondContact O-N 2.93Å; L184-Y186 PolarHBondContact O-N 3.44Å; L184-Y186 VanDerWaalsContact O-N 3.08Å; L184-G187 WeakPolarHBondContact O-CA 3.36Å; L184-G187 PolarHBondContact O-N 3.02Å; L184-N188 HydrophobicContact CD2-CB 3.85Å
185	R	95.3	Very high	95.8	Very high	139 Å²	139	50.4 Å²	50.4	53%	0.525	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-43.3	-177	-176.2	169.2	49	-164.4	-11	114.9	D182	D182-R185 HydrophobicContact CB-CB 4.47Å; D182-R185 WeakPolarHBondContact O-CB 3.49Å; D182-R185 PolarHBondContact O-N 3.13Å; D182-R185 PolarHBondContact OD1-N 3.36Å; D182-R185 WeakPolarHBondContact OD2-CB 3.45Å
186	Y	95.8	Very high	95.8	Very high	110 Å²	110	51.5 Å²	51.5	43%	0.431	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	5.3	-177.4	-59.4	-70.2	0	0	0	113.1	R50 F54 L184	R50-Y186 VanDerWaalsContact CZ-CD2 3.41Å; R50-Y186 VanDerWaalsContact CZ-CE2 3.43Å; F54-Y186 WeakPolarHBondContact CZ-O 3.39Å; L184-Y186 PolarHBondContact O-N 3.44Å; L184-Y186 VanDerWaalsContact O-N 3.08Å
187	G	95.9	Very high	95.7	Very high	39 Å²	39	54.3 Å²	54.3	40%	0.402	28%	0.277	S	S	.	.			trans	84.5	155.7	-170.1	0	0	0	0	0	113	L184	L184-G187 WeakPolarHBondContact O-CA 3.36Å; L184-G187 PolarHBondContact O-N 3.02Å
188	N	97.9	Very high	95.7	Very high	29 Å²	29	55.5 Å²	55.5	16%	0.155	28%	0.281	C	S	.	.			trans	-110.4	111.4	173.7	172.5	12.1	0	0	0	108.5	W183 L184 W190 E191	W183-N188 HydrophobicContact CZ3-CB 4.19Å; L184-N188 HydrophobicContact CD2-CB 3.85Å; N188-W190 PolarHBondContact O-N 3.21Å; N188-W190 WeakPolarHBondContact OD1-CB 3.47Å; N188-W190 PolarHBondContact OD1-N 3.44Å; N188-W190 VanDerWaalsContact OD1-N 3.08Å; N188-E191 HydrophobicContact CB-CG 3.9Å; N188-E191 WeakPolarHBondContact ND2-CG 3.36Å; N188-E191 PolarHBondContact ND2-OE2 3.37Å; N188-E191 VanDerWaalsContact ND2-OE2 3.15Å
189	P	97.9	Very high	95.9	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.065	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.9	-175.5	29.3	-31.5	0	0	0	112.5	F54 A57 R61	F54-P189 HydrophobicContact CD1-CB 4.16Å; F54-P189 HydrophobicContact CD1-CG 4.15Å; F54-P189 HydrophobicContact CE1-CB 4.3Å; F54-P189 HydrophobicContact CE1-CG 4.06Å; A57-P189 HydrophobicContact CB-CB 4.15Å; A57-P189 HydrophobicContact CB-CG 3.81Å; R61-P189 WeakPolarHBondContact CD-O 3.33Å; R61-P189 PolarHBondContact NE-O 3.37Å; R61-P189 VanDerWaalsContact NE-O 3.11Å
190	W	98.4	Very high	96.1	Very high	6 Å²	6	52.6 Å²	52.6	2%	0.023	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-27.5	-172.4	-55.2	110.6	0	0	0	114	A57 V60 R61 L64 T95 L96 T99 E127 N188 T229 P230	A57-W190 HydrophobicContact CB-CH2 4.35Å; A57-W190 HydrophobicContact CB-CZ2 3.95Å; V60-W190 HydrophobicContact CB-CH2 4.37Å; V60-W190 HydrophobicContact CG1-CH2 4.17Å; V60-W190 HydrophobicContact CG1-CZ3 4.47Å; R61-W190 HydrophobicContact CB-CE3 4.36Å; R61-W190 HydrophobicContact CB-CZ3 4.04Å; L64-W190 HydrophobicContact CD1-CZ3 4.37Å; T95-W190 HydrophobicContact CG2-CD2 3.71Å; T95-W190 HydrophobicContact CG2-CE3 4.06Å; T95-W190 HydrophobicContact CG2-CG 3.95Å; T95-W190 HydrophobicContact CG2-CZ2 4.46Å; L96-W190 VanDerWaalsContact CA-CZ2 3.47Å; L96-W190 HydrophobicContact CB-CH2 4.46Å; L96-W190 HydrophobicContact CB-CZ2 3.81Å; L96-W190 HydrophobicContact CD1-CH2 3.92Å; L96-W190 HydrophobicContact CD1-CZ2 3.95Å; L96-W190 HydrophobicContact CG-CZ2 4.49Å; T99-W190 HydrophobicContact CG2-CZ3 4.34Å; E127-W190 PolarHBondContact OE1-NE1 2.93Å; N188-W190 PolarHBondContact O-N 3.21Å; N188-W190 WeakPolarHBondContact OD1-CB 3.47Å; N188-W190 PolarHBondContact OD1-N 3.44Å; N188-W190 VanDerWaalsContact OD1-N 3.08Å; W190-T229 HydrophobicContact CB-CG2 4.34Å; W190-P230 WeakPolarHBondContact O-CD 3.47Å
191	E	98.1	Very high	96.4	Very high	29 Å²	29	49.3 Å²	49.3	14%	0.136	25%	0.245	C	C	.	.			trans	-81.9	153.7	-177.5	65.5	-176.6	-155.8	0	0	112.8	R161 N188 Y227 D228	R161-E191 IonicContact CZ-OE1 3.32Å; R161-E191 IonicContact CZ-OE2 2.67Å; R161-E191 IonicContact NE-OE1 3.45Å; R161-E191 PolarHBondContact NE-OE1 2.7Å; R161-E191 IonicContact NE-OE2 2.69Å; R161-E191 PolarHBondContact NE-OE2 3.2Å; R161-E191 IonicContact NH2-OE1 2.85Å; R161-E191 PolarHBondContact NH2-OE1 3.45Å; R161-E191 IonicContact NH2-OE2 3.34Å; R161-E191 PolarHBondContact NH2-OE2 3.09Å; N188-E191 HydrophobicContact CB-CG 3.9Å; N188-E191 WeakPolarHBondContact ND2-CG 3.36Å; N188-E191 PolarHBondContact ND2-OE2 3.37Å; N188-E191 VanDerWaalsContact ND2-OE2 3.15Å; E191-Y227 HydrophobicContact CB-CD1 4.32Å; E191-Y227 HydrophobicContact CG-CD1 4.08Å; E191-D228 CarbonylContact C-O 3.54Å; E191-D228 WeakPolarHBondContact CA-O 3.15Å
192	K	98.2	Very high	96.8	Very high	81 Å²	81	51.4 Å²	51.4	35%	0.352	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.7	169.7	-178.8	66.4	-175	83.1	0	109.5	W68 D228	W68-K192 HydrophobicContact CH2-CB 4.4Å; W68-K192 HydrophobicContact CZ3-CB 4.4Å; K192-D228 PolarHBondContact N-O 3.38Å; K192-D228 PolarHBondContact O-N 3.29Å
193	S	97.9	Very high	97	Very high	32 Å²	32	49.1 Å²	49.1	22%	0.224	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.3	170.3	-171.6	0	0	0	0	111.1	P195	S193-P195 VanDerWaalsContact C-CD 3.48Å
194	R	97.8	Very high	97.1	Very high	69 Å²	69	50.9 Å²	50.9	26%	0.26	25%	0.249	S	C	.	.			trans	-126.9	63.9	-179.5	-64.3	-66	-175.8	-178.4	-0.2	111.4	E196 F197 P226 D228	R194-E196 VanDerWaalsContact CA-OE2 3.25Å; R194-E196 WeakPolarHBondContact CA-OE2 3.41Å; R194-E196 WeakPolarHBondContact CD-OE1 3.18Å; R194-E196 IonicContact NH1-OE1 2.7Å; R194-E196 PolarHBondContact NH1-OE1 3.28Å; R194-E196 PolarHBondContact O-N 3.4Å; R194-E196 VanDerWaalsContact O-N 3.1Å; R194-F197 HydrophobicContact CB-CD2 3.96Å; R194-F197 HydrophobicContact CG-CD2 4.42Å; R194-F197 PolarHBondContact O-N 2.98Å; R194-P226 HydrophobicContact CB-CB 4.43Å; R194-P226 HydrophobicContact CB-CG 3.99Å; R194-P226 PolarHBondContact N-O 2.96Å; R194-D228 WeakPolarHBondContact CG-OD2 3.46Å; R194-D228 IonicContact NE-OD2 3.2Å
195	P	96.8	Very high	97.1	Very high	73 Å²	73	51.2 Å²	51.2	47%	0.474	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24.4	-179	26.7	-36	0	0	0	113.6	S193 F197 M198 L225	S193-P195 VanDerWaalsContact C-CD 3.48Å; P195-F197 PolarHBondContact O-N 3.33Å; P195-M198 HydrophobicContact CB-CE 4.48Å; P195-M198 WeakPolarHBondContact O-CB 3.39Å; P195-M198 PolarHBondContact O-N 3.01Å; P195-L225 VanDerWaalsContact CA-CD1 3.44Å; P195-L225 HydrophobicContact CB-CD1 4.01Å
196	E	96.9	Very high	97.2	Very high	106 Å²	106	49.9 Å²	49.9	50%	0.495	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-63	-15.7	174.3	67.4	-88	-156.2	0	0	114.5	R194	R194-E196 VanDerWaalsContact CA-OE2 3.25Å; R194-E196 WeakPolarHBondContact CA-OE2 3.41Å; R194-E196 WeakPolarHBondContact CD-OE1 3.18Å; R194-E196 IonicContact NH1-OE1 2.7Å; R194-E196 PolarHBondContact NH1-OE1 3.28Å; R194-E196 PolarHBondContact O-N 3.4Å; R194-E196 VanDerWaalsContact O-N 3.1Å
197	F	96.6	Very high	97.3	Very high	69 Å²	69	46.1 Å²	46.1	30%	0.303	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-115.8	28.1	179.1	-59.7	-50.5	0	0	0	112.9	R194 P195 P226	R194-F197 HydrophobicContact CB-CD2 3.96Å; R194-F197 HydrophobicContact CG-CD2 4.42Å; R194-F197 PolarHBondContact O-N 2.98Å; P195-F197 PolarHBondContact O-N 3.33Å; F197-P226 HydrophobicContact CB-CG 3.74Å; F197-P226 WeakPolarHBondContact O-CD 3.3Å; F197-P226 WeakPolarHBondContact O-CG 3.46Å
198	M	95.7	Very high	97.3	Very high	68 Å²	68	48.5 Å²	48.5	34%	0.335	25%	0.245	S	C	.	.			trans	-66.5	136.1	176.3	-162.3	174.6	-60.1	0	0	111.1	P195 L223 A224 L225	P195-M198 HydrophobicContact CB-CE 4.48Å; P195-M198 WeakPolarHBondContact O-CB 3.39Å; P195-M198 PolarHBondContact O-N 3.01Å; M198-L223 HydrophobicContact CG-CB 3.9Å; M198-L223 HydrophobicContact CG-CD1 4.48Å; M198-L223 HydrophobicContact SD-CB 3.73Å; M198-L223 HydrophobicContact SD-CD1 3.56Å; M198-L223 VanDerWaalsContact SD-CD1 3.56Å; M198-L223 HydrophobicContact SD-CG 4.21Å; M198-A224 WeakPolarHBondContact CA-O 3.37Å; M198-L225 HydrophobicContact CE-CB 4.14Å; M198-L225 HydrophobicContact CE-CD1 3.82Å; M198-L225 HydrophobicContact CE-CG 4.38Å
199	L	97.3	Very high	97.2	Very high	24 Å²	24	52.9 Å²	52.9	13%	0.126	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.1	-174.6	-67.4	168.8	0	0	0	111.5	L223 A224 W245 A303 Q306 D307	L199-L223 CarbonylContact O-C 3.28Å; L199-L223 WeakPolarHBondContact O-CA 3.3Å; L199-A224 PolarHBondContact N-O 3.09Å; L199-A224 VanDerWaalsContact N-O 3.08Å; L199-A224 PolarHBondContact O-N 3.02Å; L199-W245 HydrophobicContact CD1-CH2 3.78Å; L199-W245 HydrophobicContact CD1-CZ3 4.27Å; L199-A303 WeakPolarHBondContact CD1-O 3.4Å; L199-Q306 HydrophobicContact CD1-CB 3.92Å; L199-Q306 HydrophobicContact CD2-CB 4.46Å; L199-D307 HydrophobicContact CD1-CB 4.08Å
200	P	97.2	Very high	96.9	Very high	47 Å²	47	54.5 Å²	54.5	31%	0.305	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	142.7	173.8	32.4	-33.7	0	0	0	111.5	V221 L223 Q306	P200-V221 HydrophobicContact CB-CG1 3.9Å; P200-L223 HydrophobicContact CB-CD2 4.43Å; P200-Q306 PolarHBondContact O-NE2 3.44Å
201	V	98.2	Very high	96.3	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.2	170.4	177.5	0	0	0	0	107.7	F203 V221 V222 A224 Y298 F299 A302 A303	V201-F203 HydrophobicContact CG1-CD2 4.46Å; V201-F203 HydrophobicContact CG1-CE2 3.75Å; V201-F203 HydrophobicContact CG1-CZ 3.85Å; V201-V221 CarbonylContact O-C 3.37Å; V201-V221 WeakPolarHBondContact O-CA 3.49Å; V201-V222 PolarHBondContact N-O 3.21Å; V201-V222 PolarHBondContact O-N 3.39Å; V201-A224 HydrophobicContact CG2-CB 4.12Å; V201-Y298 HydrophobicContact CG1-CD1 4.12Å; V201-Y298 HydrophobicContact CG1-CE1 4.07Å; V201-F299 HydrophobicContact CB-CD2 4.09Å; V201-F299 HydrophobicContact CG1-CD2 4.15Å; V201-F299 HydrophobicContact CG2-CD2 3.86Å; V201-F299 HydrophobicContact CG2-CE2 4.12Å; V201-A302 HydrophobicContact CG1-CB 3.96Å; V201-A302 HydrophobicContact CG2-CB 4.16Å; V201-A303 HydrophobicContact CG2-CB 4.16Å
202	H	97.2	Very high	95.7	Very high	58 Å²	58	66.2 Å²	66.2	27%	0.269	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.9	-172.8	-63.4	-89.7	0	0	0	110.9	W216 T219 Q220 Y298	H202-W216 HydrophobicContact CB-CE3 4.14Å; H202-W216 HydrophobicContact CB-CH2 3.83Å; H202-W216 HydrophobicContact CB-CZ2 4.42Å; H202-W216 HydrophobicContact CB-CZ3 3.65Å; H202-W216 WeakPolarHBondContact O-CH2 3.38Å; H202-T219 HydrophobicContact CB-CG2 4.04Å; H202-T219 PolarHBondContact ND1-OG1 3.14Å; H202-Q220 CarbonylContact C-O 3.54Å; H202-Q220 WeakPolarHBondContact CA-O 3.33Å; H202-Y298 WeakPolarHBondContact O-CE1 3.46Å
203	F	96.9	Very high	95.2	Very high	1 Å²	1	63.8 Å²	63.8	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.4	173.5	-65.8	-76	0	0	0	110.3	V201 T219 Q220 V222 I276 K295 Y298 F299 L396 L397	V201-F203 HydrophobicContact CG1-CD2 4.46Å; V201-F203 HydrophobicContact CG1-CE2 3.75Å; V201-F203 HydrophobicContact CG1-CZ 3.85Å; F203-T219 CarbonylContact O-C 3.58Å; F203-T219 WeakPolarHBondContact O-CA 3.45Å; F203-T219 WeakPolarHBondContact O-CB 3.43Å; F203-Q220 PolarHBondContact N-O 3.46Å; F203-Q220 PolarHBondContact O-N 3.32Å; F203-V222 HydrophobicContact CD2-CG2 3.99Å; F203-V222 HydrophobicContact CE2-CB 4.22Å; F203-V222 HydrophobicContact CE2-CG2 3.99Å; F203-I276 HydrophobicContact CE2-CD1 3.64Å; F203-I276 HydrophobicContact CZ-CD1 3.88Å; F203-K295 HydrophobicContact CD1-CG 4.01Å; F203-K295 HydrophobicContact CE1-CB 3.94Å; F203-K295 HydrophobicContact CE1-CG 3.76Å; F203-K295 HydrophobicContact CZ-CB 4.13Å; F203-K295 HydrophobicContact CZ-CG 4.25Å; F203-Y298 HydrophobicContact CD1-CD1 4.12Å; F203-Y298 AromaticContact CE1-CD1 3.65Å; F203-Y298 HydrophobicContact CE1-CD1 3.65Å; F203-Y298 HydrophobicContact CE1-CG 4.37Å; F203-Y298 HydrophobicContact CZ-CD1 4.21Å; F203-F299 HydrophobicContact CZ-CB 4.2Å; F203-L396 HydrophobicContact CB-CD1 4.08Å; F203-L396 HydrophobicContact CD1-CD1 3.79Å; F203-L396 HydrophobicContact CD1-CD2 4.38Å; F203-L396 HydrophobicContact CD1-CG 4.04Å; F203-L396 HydrophobicContact CG-CD1 4.31Å; F203-L397 HydrophobicContact CD1-CD2 4.43Å
204	Y	96.8	Very high	95.1	Very high	54 Å²	54	63.4 Å²	63.4	21%	0.212	34%	0.336	C	S	.	.	S	Bend	trans	58.4	-137	178.6	-51.9	-72.1	0	0	0	112.5	W216 Q220 E291 K295 K395 L396	Y204-W216 VanDerWaalsContact O-CE2 3.27Å; Y204-W216 WeakPolarHBondContact O-CZ2 3.46Å; Y204-W216 PolarHBondContact O-NE1 2.88Å; Y204-Q220 HydrophobicContact CD2-CB 4.09Å; Y204-Q220 VanDerWaalsContact CE2-OE1 3.23Å; Y204-E291 VanDerWaalsContact CE1-OE1 3.24Å; Y204-E291 WeakPolarHBondContact CE1-OE1 2.94Å; Y204-E291 VanDerWaalsContact CZ-OE1 3.26Å; Y204-E291 PolarHBondContact OH-OE1 3.17Å; Y204-K295 WeakPolarHBondContact OH-CE 3.3Å; Y204-K295 PolarHBondContact OH-NZ 2.93Å; Y204-K395 HydrophobicContact CD1-CG 4.25Å; Y204-K395 WeakPolarHBondContact CD1-O 3.37Å; Y204-K395 HydrophobicContact CE1-CG 4.35Å; Y204-L396 HydrophobicContact CD1-CD1 3.94Å; Y204-L396 HydrophobicContact CD2-CD1 4.48Å; Y204-L396 HydrophobicContact CE1-CD1 3.55Å; Y204-L396 HydrophobicContact CE2-CD1 4.16Å; Y204-L396 HydrophobicContact CG-CD1 4.39Å; Y204-L396 PolarHBondContact N-O 2.68Å
205	G	96	Very high	94.9	Very high	30 Å²	30	64.8 Å²	64.8	31%	0.309	34%	0.344	S	S	.	.			trans	71.6	-158.1	-178.6	0	0	0	0	0	113.4	I217 D218	G205-I217 VanDerWaalsContact CA-O 3.27Å; G205-I217 WeakPolarHBondContact CA-O 3.45Å; G205-D218 WeakPolarHBondContact CA-O 3.29Å
206	K	97.3	Very high	95	Very high	112 Å²	112	62.9 Å²	62.9	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.1	-176.8	70.8	-166.2	-169.3	-146.9	0	111.7	I217 D218	K206-I217 HydrophobicContact CG-CD1 4.39Å; K206-I217 HydrophobicContact CG-CG1 3.9Å; K206-I217 PolarHBondContact N-O 2.83Å; K206-I217 PolarHBondContact O-N 3.08Å; K206-D218 WeakPolarHBondContact CE-OD2 3.34Å; K206-D218 IonicContact NZ-OD2 2.9Å; K206-D218 PolarHBondContact NZ-OD2 2.98Å
207	V	97.9	Very high	95	Very high	31 Å²	31	59.9 Å²	59.9	19%	0.188	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.9	177.8	-174.6	0	0	0	0	110.1	T214 K215 P398 R399	V207-T214 HydrophobicContact CG1-CG2 3.15Å; V207-K215 WeakPolarHBondContact CA-O 3.33Å; V207-P398 HydrophobicContact CG2-CB 4.06Å; V207-P398 HydrophobicContact CG2-CG 4.34Å; V207-R399 HydrophobicContact CG2-CB 3.87Å
208	E	96.9	Very high	94.9	Very high	89 Å²	89	61.8 Å²	61.8	42%	0.416	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.8	172.6	-173.7	-178.2	-131.5	0	0	109.9	T210 T214 K215 I217	E208-T210 HydrophobicContact CG-CG2 3.91Å; E208-T214 CarbonylContact O-C 3.55Å; E208-T214 WeakPolarHBondContact O-CA 3.45Å; E208-K215 PolarHBondContact N-O 3.12Å; E208-K215 PolarHBondContact O-N 3.49Å; E208-I217 HydrophobicContact CB-CD1 3.78Å; E208-I217 HydrophobicContact CB-CG1 4.25Å; E208-I217 HydrophobicContact CG-CD1 4.44Å
209	H	95	Very high	94.9	Very high	120 Å²	120	60.1 Å²	60.1	56%	0.556	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.2	176.5	-65.8	-73.5	0	0	0	109.4	T214 E402	H209-T214 PolarHBondContact ND1-OG1 2.92Å; H209-E402 IonicContact CE1-OE1 3.78Å; H209-E402 PolarHBondContact CE1-OE1 2.73Å; H209-E402 IonicContact CE1-OE2 3.82Å; H209-E402 PolarHBondContact CE1-OE2 3.44Å; H209-E402 IonicContact NE2-OE1 2.95Å; H209-E402 PolarHBondContact NE2-OE1 3.33Å; H209-E402 IonicContact NE2-OE2 3.47Å
210	T	91.9	Very high	94.6	Very high	44 Å²	44	62.5 Å²	62.5	27%	0.27	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	165.7	179.9	76.3	0	0	0	0	111	E208 T212 G213	E208-T210 HydrophobicContact CG-CG2 3.91Å; T210-T212 PolarHBondContact O-N 3.14Å; T210-T212 PolarHBondContact OG1-N 3.11Å; T210-T212 PolarHBondContact OG1-OG1 3.26Å; T210-G213 PolarHBondContact N-O 3.34Å; T210-G213 VanDerWaalsContact N-O 3.07Å; T210-G213 PolarHBondContact O-N 2.83Å; T210-G213 PolarHBondContact OG1-O 3.15Å
211	N	86.7	Confident	94.4	Very high	182 Å²	182	62.5 Å²	62.5	97%	0.973	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.7	172.8	-63.5	-16.2	0	0	0	113.3
212	T	83.7	Confident	94.3	Very high	99 Å²	99	62.5 Å²	62.5	61%	0.607	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	7	178.1	62.1	0	0	0	0	113.6	T210 K359	T210-T212 PolarHBondContact O-N 3.14Å; T210-T212 PolarHBondContact OG1-N 3.11Å; T210-T212 PolarHBondContact OG1-OG1 3.26Å; T212-K359 PolarHBondContact O-NZ 3.24Å
213	G	89.4	Confident	94.2	Very high	30 Å²	30	61.5 Å²	61.5	31%	0.309	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	108.9	-176.4	-177.2	0	0	0	0	0	113.3	T210	T210-G213 PolarHBondContact N-O 3.34Å; T210-G213 VanDerWaalsContact N-O 3.07Å; T210-G213 PolarHBondContact O-N 2.83Å; T210-G213 PolarHBondContact OG1-O 3.15Å
214	T	94.5	Very high	94.3	Very high	24 Å²	24	61.4 Å²	61.4	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	141.2	-177.1	-52.8	0	0	0	0	111.4	V207 E208 H209	V207-T214 HydrophobicContact CG1-CG2 3.15Å; E208-T214 CarbonylContact O-C 3.55Å; E208-T214 WeakPolarHBondContact O-CA 3.45Å; H209-T214 PolarHBondContact ND1-OG1 2.92Å
215	K	94.9	Very high	94.4	Very high	98 Å²	98	59.3 Å²	59.3	43%	0.426	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.6	176.6	-64.7	-178.8	-177.7	174.7	0	110.7	V207 E208 I217	V207-K215 WeakPolarHBondContact CA-O 3.33Å; E208-K215 PolarHBondContact N-O 3.12Å; E208-K215 PolarHBondContact O-N 3.49Å; K215-I217 HydrophobicContact CB-CG2 3.92Å
216	W	97.7	Very high	94.5	Very high	33 Å²	33	57.9 Å²	57.9	13%	0.125	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.6	170.4	-172.5	21.7	0	0	0	109	H202 Y204 T219 Y298 L397 R399 H400	H202-W216 HydrophobicContact CB-CE3 4.14Å; H202-W216 HydrophobicContact CB-CH2 3.83Å; H202-W216 HydrophobicContact CB-CZ2 4.42Å; H202-W216 HydrophobicContact CB-CZ3 3.65Å; H202-W216 WeakPolarHBondContact O-CH2 3.38Å; Y204-W216 VanDerWaalsContact O-CE2 3.27Å; Y204-W216 WeakPolarHBondContact O-CZ2 3.46Å; Y204-W216 PolarHBondContact O-NE1 2.88Å; W216-T219 HydrophobicContact CD2-CG2 3.75Å; W216-T219 VanDerWaalsContact CE2-CG2 3.45Å; W216-T219 HydrophobicContact CE3-CG2 4.48Å; W216-T219 HydrophobicContact CG-CG2 3.89Å; W216-T219 HydrophobicContact CZ2-CG2 4Å; W216-Y298 HydrophobicContact CH2-CE1 4.02Å; W216-Y298 HydrophobicContact CZ3-CE1 4.21Å; W216-Y298 WeakPolarHBondContact CZ3-OH 3.06Å; W216-L397 HydrophobicContact CH2-CD2 3.83Å; W216-L397 HydrophobicContact CZ2-CD2 4.3Å; W216-R399 HydrophobicContact CB-CB 4.26Å; W216-R399 HydrophobicContact CD2-CB 4.44Å; W216-R399 HydrophobicContact CG-CB 4.19Å; W216-H400 AromaticContact CZ3-CE1 3.72Å
217	I	96.8	Very high	94.5	Very high	43 Å²	43	53.9 Å²	53.9	22%	0.221	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	170.9	-169.3	63.5	168.9	0	0	0	111.4	G205 K206 E208 K215 T219	G205-I217 VanDerWaalsContact CA-O 3.27Å; G205-I217 WeakPolarHBondContact CA-O 3.45Å; K206-I217 HydrophobicContact CG-CD1 4.39Å; K206-I217 HydrophobicContact CG-CG1 3.9Å; K206-I217 PolarHBondContact N-O 2.83Å; K206-I217 PolarHBondContact O-N 3.08Å; E208-I217 HydrophobicContact CB-CD1 3.78Å; E208-I217 HydrophobicContact CB-CG1 4.25Å; E208-I217 HydrophobicContact CG-CD1 4.44Å; K215-I217 HydrophobicContact CB-CG2 3.92Å; I217-T219 PolarHBondContact O-N 2.87Å
218	D	95.4	Very high	94.6	Very high	109 Å²	109	52.8 Å²	52.8	58%	0.583	28%	0.28	S	S	*	.	S	Bend	trans	55.3	36.2	179.4	-57	-19.4	0	0	0	113.7	G205 K206	G205-D218 WeakPolarHBondContact CA-O 3.29Å; K206-D218 WeakPolarHBondContact CE-OD2 3.34Å; K206-D218 IonicContact NZ-OD2 2.9Å; K206-D218 PolarHBondContact NZ-OD2 2.98Å
219	T	94.8	Very high	94.7	Very high	33 Å²	33	49.1 Å²	49.1	20%	0.202	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-86.3	150.6	-175.6	54.2	0	0	0	0	112.4	H202 F203 W216 I217	H202-T219 HydrophobicContact CB-CG2 4.04Å; H202-T219 PolarHBondContact ND1-OG1 3.14Å; F203-T219 CarbonylContact O-C 3.58Å; F203-T219 WeakPolarHBondContact O-CA 3.45Å; F203-T219 WeakPolarHBondContact O-CB 3.43Å; W216-T219 HydrophobicContact CD2-CG2 3.75Å; W216-T219 VanDerWaalsContact CE2-CG2 3.45Å; W216-T219 HydrophobicContact CE3-CG2 4.48Å; W216-T219 HydrophobicContact CG-CG2 3.89Å; W216-T219 HydrophobicContact CZ2-CG2 4Å; I217-T219 PolarHBondContact O-N 2.87Å
220	Q	91.7	Very high	94.8	Very high	74 Å²	74	43.9 Å²	43.9	35%	0.346	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.5	163.9	-173.3	-180	16	0	0	109.3	H202 F203 Y204	H202-Q220 CarbonylContact C-O 3.54Å; H202-Q220 WeakPolarHBondContact CA-O 3.33Å; F203-Q220 PolarHBondContact N-O 3.46Å; F203-Q220 PolarHBondContact O-N 3.32Å; Y204-Q220 HydrophobicContact CD2-CB 4.09Å; Y204-Q220 VanDerWaalsContact CE2-OE1 3.23Å
221	V	92.9	Very high	95.2	Very high	47 Å²	47	42.2 Å²	42.2	29%	0.285	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.2	-179.1	-175.7	0	0	0	0	110.9	P200 V201 L223 P250	P200-V221 HydrophobicContact CB-CG1 3.9Å; V201-V221 CarbonylContact O-C 3.37Å; V201-V221 WeakPolarHBondContact O-CA 3.49Å; V221-L223 HydrophobicContact CG1-CD2 4.36Å; V221-P250 WeakPolarHBondContact O-CD 3.49Å
222	V	95	Very high	95.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.2	167.6	179.3	0	0	0	0	108.1	V201 F203 A247 A273 I276 F299	V201-V222 PolarHBondContact N-O 3.21Å; V201-V222 PolarHBondContact O-N 3.39Å; F203-V222 HydrophobicContact CD2-CG2 3.99Å; F203-V222 HydrophobicContact CE2-CB 4.22Å; F203-V222 HydrophobicContact CE2-CG2 3.99Å; V222-A247 HydrophobicContact CG1-CB 3.96Å; V222-A273 HydrophobicContact CG1-CB 4.3Å; V222-A273 HydrophobicContact CG2-CB 3.9Å; V222-I276 HydrophobicContact CG1-CD1 4.31Å; V222-I276 HydrophobicContact CG2-CD1 4.19Å; V222-F299 HydrophobicContact CG1-CD2 4.46Å; V222-F299 HydrophobicContact CG1-CE2 4.05Å
223	L	96.6	Very high	96.3	Very high	36 Å²	36	29.1 Å²	29.1	19%	0.188	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.3	177.7	-59.9	-178.5	0	0	0	110.7	M198 L199 P200 V221 A247 R248 P250	M198-L223 HydrophobicContact CG-CB 3.9Å; M198-L223 HydrophobicContact CG-CD1 4.48Å; M198-L223 HydrophobicContact SD-CB 3.73Å; M198-L223 HydrophobicContact SD-CD1 3.56Å; M198-L223 VanDerWaalsContact SD-CD1 3.56Å; M198-L223 HydrophobicContact SD-CG 4.21Å; L199-L223 CarbonylContact O-C 3.28Å; L199-L223 WeakPolarHBondContact O-CA 3.3Å; P200-L223 HydrophobicContact CB-CD2 4.43Å; V221-L223 HydrophobicContact CG1-CD2 4.36Å; L223-A247 CarbonylContact O-C 3.43Å; L223-A247 WeakPolarHBondContact O-CA 3.39Å; L223-R248 HydrophobicContact CB-CB 4.19Å; L223-R248 PolarHBondContact N-O 3.22Å; L223-R248 PolarHBondContact O-N 3.15Å; L223-P250 HydrophobicContact CD1-CB 4.19Å; L223-P250 HydrophobicContact CG-CB 4.3Å
224	A	98.3	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	107.2	174	0	0	0	0	0	110.1	M198 L199 V201 W245 F299 A303	M198-A224 WeakPolarHBondContact CA-O 3.37Å; L199-A224 PolarHBondContact N-O 3.09Å; L199-A224 VanDerWaalsContact N-O 3.08Å; L199-A224 PolarHBondContact O-N 3.02Å; V201-A224 HydrophobicContact CG2-CB 4.12Å; A224-W245 HydrophobicContact CB-CD2 4.27Å; A224-W245 HydrophobicContact CB-CE3 3.75Å; A224-W245 HydrophobicContact CB-CZ3 4.3Å; A224-F299 HydrophobicContact CB-CE2 3.62Å; A224-F299 HydrophobicContact CB-CZ 3.59Å; A224-A303 HydrophobicContact CB-CB 3.5Å; A224-A303 VanDerWaalsContact CB-CB 3.5Å
225	L	98.2	Very high	96.7	Very high	10 Å²	10	31 Å²	31	5%	0.052	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	118.1	176	171.1	61.1	0	0	0	110	P195 M198 Y227 S246 R248	P195-L225 VanDerWaalsContact CA-CD1 3.44Å; P195-L225 HydrophobicContact CB-CD1 4.01Å; M198-L225 HydrophobicContact CE-CB 4.14Å; M198-L225 HydrophobicContact CE-CD1 3.82Å; M198-L225 HydrophobicContact CE-CG 4.38Å; L225-Y227 HydrophobicContact CD2-CE2 3.52Å; L225-Y227 HydrophobicContact CG-CD2 4.18Å; L225-Y227 HydrophobicContact CG-CE2 3.63Å; L225-S246 PolarHBondContact N-O 3.29Å; L225-S246 PolarHBondContact O-N 3.06Å; L225-R248 HydrophobicContact CB-CG 4.15Å; L225-R248 HydrophobicContact CD2-CG 4.35Å
226	P	98.6	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.9	177.9	20.8	-18.9	0	0	0	112.6	R194 F197 R243 W245	R194-P226 HydrophobicContact CB-CB 4.43Å; R194-P226 HydrophobicContact CB-CG 3.99Å; R194-P226 PolarHBondContact N-O 2.96Å; F197-P226 HydrophobicContact CB-CG 3.74Å; F197-P226 WeakPolarHBondContact O-CD 3.3Å; F197-P226 WeakPolarHBondContact O-CG 3.46Å; P226-R243 HydrophobicContact CB-CG 4.01Å; P226-W245 HydrophobicContact CB-CE3 3.75Å; P226-W245 HydrophobicContact CB-CH2 4.04Å; P226-W245 HydrophobicContact CB-CZ3 3.45Å; P226-W245 VanDerWaalsContact CB-CZ3 3.45Å; P226-W245 HydrophobicContact CG-CE3 4.15Å; P226-W245 HydrophobicContact CG-CH2 4.17Å; P226-W245 HydrophobicContact CG-CZ3 3.49Å; P226-W245 VanDerWaalsContact CG-CZ3 3.49Å
227	Y	98.8	Very high	96.5	Very high	28 Å²	28	26.6 Å²	26.6	11%	0.11	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125	165.2	-75	-105.6	0	0	0	108.8	R161 E191 L225 R243 L244	R161-Y227 VanDerWaalsContact CD-CD2 3.46Å; R161-Y227 VanDerWaalsContact CD-CG 3.43Å; E191-Y227 HydrophobicContact CB-CD1 4.32Å; E191-Y227 HydrophobicContact CG-CD1 4.08Å; L225-Y227 HydrophobicContact CD2-CE2 3.52Å; L225-Y227 HydrophobicContact CG-CD2 4.18Å; L225-Y227 HydrophobicContact CG-CE2 3.63Å; Y227-R243 WeakPolarHBondContact O-CA 3.41Å; Y227-L244 PolarHBondContact N-O 3.01Å; Y227-L244 PolarHBondContact O-N 2.97Å
228	D	98.8	Very high	96.5	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.043	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.4	-179.3	-71.1	-21.1	0	0	0	110.5	W68 E191 K192 R194 T241 R243	W68-D228 HydrophobicContact CH2-CB 3.48Å; W68-D228 VanDerWaalsContact CH2-CB 3.48Å; W68-D228 HydrophobicContact CZ2-CB 3.63Å; E191-D228 CarbonylContact C-O 3.54Å; E191-D228 WeakPolarHBondContact CA-O 3.15Å; K192-D228 PolarHBondContact N-O 3.38Å; K192-D228 PolarHBondContact O-N 3.29Å; R194-D228 WeakPolarHBondContact CG-OD2 3.46Å; R194-D228 IonicContact NE-OD2 3.2Å; D228-T241 HydrophobicContact CB-CG2 3.88Å; D228-R243 IonicContact OD1-CZ 2.8Å; D228-R243 IonicContact OD1-NE 3.64Å; D228-R243 PolarHBondContact OD1-NE 2.8Å; D228-R243 IonicContact OD1-NH2 2.78Å; D228-R243 PolarHBondContact OD1-NH2 2.85Å; D228-R243 VanDerWaalsContact OD1-NH2 3.11Å; D228-R243 IonicContact OD2-CZ 3.13Å; D228-R243 IonicContact OD2-NE 3.16Å; D228-R243 IonicContact OD2-NH2 3.4Å; D228-R243 PolarHBondContact OD2-NH2 3.02Å
229	T	98.7	Very high	96.6	Very high	12 Å²	12	19.6 Å²	19.6	7%	0.074	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127	172.2	-61.2	0	0	0	0	109.1	W190 M242	W190-T229 HydrophobicContact CB-CG2 4.34Å; T229-M242 HydrophobicContact CG2-CE 4.15Å; T229-M242 PolarHBondContact N-O 3.16Å; T229-M242 PolarHBondContact O-N 2.85Å
230	P	98.4	Very high	96.8	Very high	10 Å²	10	18.2 Å²	18.2	7%	0.065	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	140.5	179.2	28.6	-33.9	0	0	0	111.5	L64 W68 W190 V239	L64-P230 HydrophobicContact CD1-CB 4.2Å; L64-P230 HydrophobicContact CD1-CG 3.77Å; W68-P230 HydrophobicContact CD2-CB 4.21Å; W68-P230 HydrophobicContact CE3-CB 4.4Å; W68-P230 HydrophobicContact CG-CB 4.47Å; W190-P230 WeakPolarHBondContact O-CD 3.47Å; P230-V239 HydrophobicContact CB-CG1 3.48Å; P230-V239 VanDerWaalsContact CB-CG1 3.48Å
231	V	98.6	Very high	97.1	Very high	8 Å²	8	15 Å²	15	5%	0.048	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	95.6	176.7	-177.4	0	0	0	0	108.9	L145 A149 V239 N240 M242	L145-V231 HydrophobicContact CB-CG1 3.97Å; L145-V231 HydrophobicContact CD1-CG2 4.44Å; A149-V231 HydrophobicContact CB-CG1 4.08Å; A149-V231 WeakPolarHBondContact CB-O 3.5Å; V231-V239 CarbonylContact O-C 3.6Å; V231-V239 WeakPolarHBondContact O-CA 3.49Å; V231-N240 HydrophobicContact CB-CB 4.25Å; V231-N240 PolarHBondContact N-O 2.89Å; V231-N240 PolarHBondContact O-N 3.39Å; V231-M242 HydrophobicContact CG2-CB 4Å
232	P	97.9	Very high	97.4	Very high	5 Å²	5	13 Å²	13	3%	0.032	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	135.6	-178.3	29	-32.5	0	0	0	112.1	L64 N102 V239	L64-P232 HydrophobicContact CD2-CB 3.69Å; L64-P232 HydrophobicContact CD2-CG 4.01Å; N102-P232 HydrophobicContact CB-CB 4.11Å; N102-P232 HydrophobicContact CB-CG 4.1Å; N102-P232 PolarHBondContact ND2-O 2.83Å; P232-V239 HydrophobicContact CB-CG2 4.32Å
233	G	97.4	Very high	97.6	Very high	2 Å²	2	13.4 Å²	13.4	2%	0.021	7%	0.069	C	C	.	.			trans	-79.5	154.1	168.3	0	0	0	0	0	112.2	M235 N236 T238	G233-M235 PolarHBondContact O-N 3.03Å; G233-M235 VanDerWaalsContact O-N 3.12Å; G233-N236 PolarHBondContact O-OD1 3.43Å; G233-T238 PolarHBondContact N-O 3.22Å
234	Y	97.1	Very high	97.7	Very high	8 Å²	8	11.9 Å²	11.9	3%	0.031	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	107.4	-176.5	-175.7	-106.9	0	0	0	112.6	I101 T150 N236 R490 L494 V513 K514	I101-Y234 HydrophobicContact CG2-CD2 4.31Å; I101-Y234 HydrophobicContact CG2-CE2 3.98Å; T150-Y234 PolarHBondContact OG1-N 2.96Å; T150-Y234 VanDerWaalsContact OG1-N 3.08Å; Y234-N236 VanDerWaalsContact C-N 3.26Å; Y234-N236 PolarHBondContact O-N 2.64Å; Y234-N236 VanDerWaalsContact O-N 3.16Å; Y234-R490 HydrophobicContact CD2-CG 3.58Å; Y234-R490 HydrophobicContact CE2-CG 4.29Å; Y234-R490 HydrophobicContact CG-CG 3.82Å; Y234-L494 HydrophobicContact CE2-CD2 3.71Å; Y234-V513 HydrophobicContact CD1-CG1 3.88Å; Y234-V513 HydrophobicContact CD2-CG1 4.32Å; Y234-V513 HydrophobicContact CE1-CB 3.82Å; Y234-V513 HydrophobicContact CE1-CG1 3.43Å; Y234-V513 VanDerWaalsContact CE1-CG1 3.43Å; Y234-V513 HydrophobicContact CE2-CG1 3.92Å; Y234-V513 HydrophobicContact CG-CG1 4.31Å; Y234-V513 VanDerWaalsContact CZ-CG1 3.45Å; Y234-K514 HydrophobicContact CD1-CD 4.33Å; Y234-K514 HydrophobicContact CD1-CG 3.75Å; Y234-K514 HydrophobicContact CE1-CG 4.15Å; Y234-K514 WeakPolarHBondContact O-CE 3.45Å
235	M	93.5	Very high	97.7	Very high	84 Å²	84	11.9 Å²	11.9	41%	0.414	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	37.1	174.1	-57.6	-172.8	79	0	0	114.8	N102 G233 K834	N102-M235 PolarHBondContact O-N 3.47Å; G233-M235 PolarHBondContact O-N 3.03Å; G233-M235 VanDerWaalsContact O-N 3.12Å; M235-K834 WeakPolarHBondContact O-CE 3.49Å
236	N	94.1	Very high	97.7	Very high	7 Å²	7	11.7 Å²	11.7	4%	0.037	6%	0.06	C	C	.	.	S	Bend	trans	-126	-1.1	-179.6	74.2	-2.3	0	0	0	114.8	A149 T150 G233 Y234 T238 K834 I835	A149-N236 PolarHBondContact O-ND2 2.95Å; T150-N236 VanDerWaalsContact C-ND2 3.35Å; T150-N236 WeakPolarHBondContact CA-ND2 3.35Å; T150-N236 PolarHBondContact O-ND2 2.97Å; G233-N236 PolarHBondContact O-OD1 3.43Å; Y234-N236 VanDerWaalsContact C-N 3.26Å; Y234-N236 PolarHBondContact O-N 2.64Å; Y234-N236 VanDerWaalsContact O-N 3.16Å; N236-T238 PolarHBondContact O-N 3.13Å; N236-T238 VanDerWaalsContact O-N 3.15Å; N236-T238 WeakPolarHBondContact OD1-CB 3.39Å; N236-T238 PolarHBondContact OD1-N 3.16Å; N236-K834 WeakPolarHBondContact O-CA 3.45Å; N236-I835 PolarHBondContact O-N 3.21Å
237	N	94.8	Very high	97.6	Very high	32 Å²	32	11.8 Å²	11.8	17%	0.171	6%	0.061	C	C	.	.			trans	63.5	2.6	-175.9	-56.8	-44.4	0	0	0	116.3	R67 I835 L837	R67-N237 HydrophobicContact CG-CB 4.42Å; R67-N237 PolarHBondContact NE-OD1 2.93Å; N237-I835 HydrophobicContact CB-CB 4.41Å; N237-I835 WeakPolarHBondContact CB-O 3.49Å; N237-I835 PolarHBondContact ND2-O 3.45Å; N237-I835 VanDerWaalsContact ND2-O 3.08Å; N237-L837 HydrophobicContact CB-CD2 4.24Å
238	T	96.4	Very high	97.4	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.025	7%	0.07	C	C	.	.			trans	-75.4	129.3	172.1	-63	0	0	0	0	109.2	T71 Y75 G233 N236	T71-T238 HydrophobicContact CG2-CG2 4.03Å; Y75-T238 WeakPolarHBondContact OH-CG2 3.26Å; G233-T238 PolarHBondContact N-O 3.22Å; N236-T238 PolarHBondContact O-N 3.13Å; N236-T238 VanDerWaalsContact O-N 3.15Å; N236-T238 WeakPolarHBondContact OD1-CB 3.39Å; N236-T238 PolarHBondContact OD1-N 3.16Å
239	V	98.3	Very high	96.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	104.2	171.5	-177	0	0	0	0	108.6	L64 R67 W68 T71 P230 V231 P232	L64-V239 HydrophobicContact CD2-CG2 4.06Å; R67-V239 HydrophobicContact CB-CG2 3.62Å; W68-V239 HydrophobicContact CB-CB 4.01Å; W68-V239 HydrophobicContact CB-CG1 3.82Å; W68-V239 VanDerWaalsContact CD1-O 3.28Å; W68-V239 HydrophobicContact CG-CB 4.35Å; W68-V239 HydrophobicContact CG-CG1 3.84Å; T71-V239 WeakPolarHBondContact CB-O 3.22Å; T71-V239 VanDerWaalsContact CG2-O 3.3Å; T71-V239 WeakPolarHBondContact CG2-O 3.47Å; T71-V239 PolarHBondContact OG1-N 3.29Å; P230-V239 HydrophobicContact CB-CG1 3.48Å; P230-V239 VanDerWaalsContact CB-CG1 3.48Å; V231-V239 CarbonylContact O-C 3.6Å; V231-V239 WeakPolarHBondContact O-CA 3.49Å; P232-V239 HydrophobicContact CB-CG2 4.32Å
240	N	98.5	Very high	96.2	Very high	4 Å²	4	16 Å²	16	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	179.5	174.3	-83.2	-16.5	0	0	0	111.1	Y75 A149 L153 V231	Y75-N240 WeakPolarHBondContact CE2-OD1 3.44Å; Y75-N240 PolarHBondContact OH-OD1 3.13Å; A149-N240 WeakPolarHBondContact CA-ND2 3.34Å; A149-N240 HydrophobicContact CB-CB 4.22Å; L153-N240 PolarHBondContact O-ND2 3.04Å; L153-N240 PolarHBondContact O-OD1 2.78Å; V231-N240 HydrophobicContact CB-CB 4.25Å; V231-N240 PolarHBondContact N-O 2.89Å; V231-N240 PolarHBondContact O-N 3.39Å
241	T	98.8	Very high	94.7	Very high	6 Å²	6	23 Å²	23	4%	0.037	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.7	-177.3	-53.5	0	0	0	0	110.8	W68 Q72 Y156 G157 D228	W68-T241 HydrophobicContact CZ2-CG2 4Å; W68-T241 PolarHBondContact NE1-OG1 3.14Å; Q72-T241 PolarHBondContact NE2-OG1 3.15Å; Y156-T241 WeakPolarHBondContact CA-O 3.46Å; G157-T241 PolarHBondContact N-O 2.84Å; D228-T241 HydrophobicContact CB-CG2 3.88Å
242	M	98.8	Very high	92.9	Very high	5 Å²	5	29 Å²	29	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.1	157.8	-176.7	179.7	65.8	0	0	107.8	F90 M92 L145 G157 T229 V231 L244	F90-M242 HydrophobicContact CB-SD 3.82Å; F90-M242 HydrophobicContact CD1-SD 3.95Å; F90-M242 HydrophobicContact CD2-SD 4.21Å; F90-M242 HydrophobicContact CG-SD 3.72Å; M92-M242 HydrophobicContact CE-CE 4.44Å; M92-M242 HydrophobicContact CE-SD 4.41Å; M92-M242 HydrophobicContact CG-CE 4Å; M92-M242 HydrophobicContact CG-SD 4.12Å; M92-M242 HydrophobicContact SD-CE 4.4Å; M92-M242 HydrophobicContact SD-SD 3.94Å; L145-M242 HydrophobicContact CD1-CB 4.09Å; L145-M242 HydrophobicContact CD1-CG 4.05Å; L145-M242 HydrophobicContact CD1-SD 3.86Å; G157-M242 CarbonylContact O-C 3.11Å; G157-M242 WeakPolarHBondContact O-CA 3.44Å; T229-M242 HydrophobicContact CG2-CE 4.15Å; T229-M242 PolarHBondContact N-O 3.16Å; T229-M242 PolarHBondContact O-N 2.85Å; V231-M242 HydrophobicContact CG2-CB 4Å; M242-L244 HydrophobicContact CE-CD1 3.82Å; M242-L244 HydrophobicContact CE-CG 4.21Å; M242-L244 HydrophobicContact CG-CD2 4.06Å; M242-L244 HydrophobicContact CG-CG 4.24Å; M242-L244 HydrophobicContact SD-CD2 4.23Å
243	R	98.8	Very high	90.7	Very high	12 Å²	12	34.8 Å²	34.8	5%	0.045	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.8	178.6	176.4	163.1	-72.9	-167.1	-8.6	109.7	G157 Y158 G159 P226 Y227 D228 W245 D307	G157-R243 PolarHBondContact O-N 3.28Å; Y158-R243 WeakPolarHBondContact CA-O 3.37Å; Y158-R243 HydrophobicContact CD1-CB 4.02Å; Y158-R243 HydrophobicContact CD1-CG 4.05Å; Y158-R243 HydrophobicContact CE1-CB 3.89Å; Y158-R243 VanDerWaalsContact CE1-CD 3.4Å; Y158-R243 HydrophobicContact CE1-CG 3.77Å; G159-R243 PolarHBondContact N-O 2.87Å; G159-R243 VanDerWaalsContact N-O 3.11Å; P226-R243 HydrophobicContact CB-CG 4.01Å; Y227-R243 WeakPolarHBondContact O-CA 3.41Å; D228-R243 IonicContact OD1-CZ 2.8Å; D228-R243 IonicContact OD1-NE 3.64Å; D228-R243 PolarHBondContact OD1-NE 2.8Å; D228-R243 IonicContact OD1-NH2 2.78Å; D228-R243 PolarHBondContact OD1-NH2 2.85Å; D228-R243 VanDerWaalsContact OD1-NH2 3.11Å; D228-R243 IonicContact OD2-CZ 3.13Å; D228-R243 IonicContact OD2-NE 3.16Å; D228-R243 IonicContact OD2-NH2 3.4Å; D228-R243 PolarHBondContact OD2-NH2 3.02Å; R243-W245 HydrophobicContact CG-CZ2 4.35Å; R243-D307 IonicContact CZ-OD2 2.69Å; R243-D307 VanDerWaalsContact NH1-CG 3.28Å; R243-D307 IonicContact NH1-OD1 3.45Å; R243-D307 PolarHBondContact NH1-OD1 2.91Å; R243-D307 IonicContact NH1-OD2 3.56Å; R243-D307 PolarHBondContact NH1-OD2 3.31Å
244	L	98.8	Very high	88.7	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131	-179.4	-59	179.1	0	0	0	110.4	F90 L132 G159 R161 Y227 M242	F90-L244 HydrophobicContact CD2-CD2 4.17Å; L132-L244 HydrophobicContact CD1-CD1 3.42Å; L132-L244 VanDerWaalsContact CD1-CD1 3.42Å; G159-L244 WeakPolarHBondContact O-CA 3.44Å; R161-L244 HydrophobicContact CB-CB 3.69Å; Y227-L244 PolarHBondContact N-O 3.01Å; Y227-L244 PolarHBondContact O-N 2.97Å; M242-L244 HydrophobicContact CE-CD1 3.82Å; M242-L244 HydrophobicContact CE-CG 4.21Å; M242-L244 HydrophobicContact CG-CD2 4.06Å; M242-L244 HydrophobicContact CG-CG 4.24Å; M242-L244 HydrophobicContact SD-CD2 4.23Å
245	W	98.7	Very high	86.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.2	-178.6	-58.6	108.2	0	0	0	111.7	Y158 G159 R161 L199 A224 P226 R243 F299 A303 T304 D307	Y158-W245 HydrophobicContact CD1-CZ2 4.14Å; Y158-W245 AromaticContact CD1-NE1 3.57Å; Y158-W245 AromaticContact CE1-CZ2 3.79Å; Y158-W245 HydrophobicContact CE1-CZ2 3.79Å; G159-W245 PolarHBondContact O-N 2.89Å; R161-W245 PolarHBondContact N-O 3.23Å; L199-W245 HydrophobicContact CD1-CH2 3.78Å; L199-W245 HydrophobicContact CD1-CZ3 4.27Å; A224-W245 HydrophobicContact CB-CD2 4.27Å; A224-W245 HydrophobicContact CB-CE3 3.75Å; A224-W245 HydrophobicContact CB-CZ3 4.3Å; P226-W245 HydrophobicContact CB-CE3 3.75Å; P226-W245 HydrophobicContact CB-CH2 4.04Å; P226-W245 HydrophobicContact CB-CZ3 3.45Å; P226-W245 VanDerWaalsContact CB-CZ3 3.45Å; P226-W245 HydrophobicContact CG-CE3 4.15Å; P226-W245 HydrophobicContact CG-CH2 4.17Å; P226-W245 HydrophobicContact CG-CZ3 3.49Å; P226-W245 VanDerWaalsContact CG-CZ3 3.49Å; R243-W245 HydrophobicContact CG-CZ2 4.35Å; W245-F299 HydrophobicContact CB-CD1 4.34Å; W245-F299 HydrophobicContact CB-CE1 3.52Å; W245-F299 HydrophobicContact CB-CZ 4.05Å; W245-A303 HydrophobicContact CD2-CB 3.65Å; W245-A303 HydrophobicContact CE3-CB 4.04Å; W245-A303 HydrophobicContact CG-CB 4.01Å; W245-A303 HydrophobicContact CH2-CB 4.31Å; W245-A303 HydrophobicContact CZ2-CB 3.94Å; W245-A303 WeakPolarHBondContact CZ2-O 3.5Å; W245-A303 HydrophobicContact CZ3-CB 4.33Å; W245-T304 PolarHBondContact NE1-OG1 3.14Å; W245-D307 HydrophobicContact CH2-CB 4.06Å; W245-D307 HydrophobicContact CZ2-CB 3.99Å
246	S	98.2	Very high	84.9	Confident	6 Å²	6	49 Å²	49	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130	169.5	175.7	0	0	0	0	109.2	L225	L225-S246 PolarHBondContact N-O 3.29Å; L225-S246 PolarHBondContact O-N 3.06Å
247	A	96.9	Very high	83	Confident	1 Å²	1	52 Å²	52	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.1	177.1	0	0	0	0	0	110	V222 L223 A273 I276 S277 F299	V222-A247 HydrophobicContact CG1-CB 3.96Å; L223-A247 CarbonylContact O-C 3.43Å; L223-A247 WeakPolarHBondContact O-CA 3.39Å; A247-A273 WeakPolarHBondContact CB-O 3.26Å; A247-I276 HydrophobicContact CB-CB 3.87Å; A247-I276 HydrophobicContact CB-CG2 4.39Å; A247-S277 PolarHBondContact N-OG 2.76Å; A247-F299 HydrophobicContact CB-CE1 4.23Å; A247-F299 HydrophobicContact CB-CE2 3.99Å; A247-F299 HydrophobicContact CB-CZ 3.74Å
248	R	93.4	Very high	81.1	Confident	83 Å²	83	54.7 Å²	54.7	31%	0.313	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142	177.3	-66.4	-62.1	-175.9	-172.4	-2.6	109.4	L223 L225 E274	L223-R248 HydrophobicContact CB-CB 4.19Å; L223-R248 PolarHBondContact N-O 3.22Å; L223-R248 PolarHBondContact O-N 3.15Å; L225-R248 HydrophobicContact CB-CG 4.15Å; L225-R248 HydrophobicContact CD2-CG 4.35Å; R248-E274 WeakPolarHBondContact CD-OE1 3.19Å; R248-E274 IonicContact CZ-OE1 3.41Å; R248-E274 IonicContact NH1-OE1 2.69Å; R248-E274 PolarHBondContact NH1-OE1 3.22Å
249	A	87.8	Confident	79.2	Confident	18 Å²	18	60.3 Å²	60.3	15%	0.149	30%	0.295	C	S	.	.			trans	-69.7	145.8	167.3	0	0	0	0	0	109.8	R270 A273	A249-R270 HydrophobicContact CB-CB 3.86Å; A249-R270 HydrophobicContact CB-CG 3.64Å; A249-A273 HydrophobicContact CB-CB 4.16Å
250	P	84.4	Confident	77.5	Confident	36 Å²	36	66.2 Å²	66.2	23%	0.234	33%	0.331	C	S	.	.			trans	-61.6	152.1	168.5	27.6	-33	0	0	0	110.6	V221 L223 D252	V221-P250 WeakPolarHBondContact O-CD 3.49Å; L223-P250 HydrophobicContact CD1-CB 4.19Å; L223-P250 HydrophobicContact CG-CB 4.3Å; P250-D252 PolarHBondContact O-N 3.39Å
251	N	68.1	Low	75.5	Confident	157 Å²	157	69.2 Å²	69.2	84%	0.84	36%	0.362	S	S	*	.	S	Bend	trans	-76.5	22.6	177.8	-74.8	-21.6	0	0	0	112.7	F253	N251-F253 PolarHBondContact O-N 3.18Å
252	D	60.8	Low	73.6	Confident	134 Å²	134	72.9 Å²	72.9	72%	0.717	38%	0.382	S	S	*	.			trans	-75.1	68.8	178.8	-54.4	-13.4	0	0	0	107.3	P250 N254	P250-D252 PolarHBondContact O-N 3.39Å; D252-N254 VanDerWaalsContact C-N 3.28Å; D252-N254 PolarHBondContact O-N 3.37Å
253	F	51.3	Low	72.1	Confident	127 Å²	127	79.2 Å²	79.2	56%	0.557	41%	0.406	S	S	*	.			trans	-62.2	96.1	171.4	-174.4	-93.7	0	0	0	106.2	N251 L255 F258	N251-F253 PolarHBondContact O-N 3.18Å; F253-L255 HydrophobicContact CD1-CD2 4.46Å; F253-L255 HydrophobicContact CD1-CG 3.85Å; F253-L255 HydrophobicContact CE1-CD2 4.09Å; F253-L255 HydrophobicContact CE1-CG 3.97Å; F253-L255 PolarHBondContact O-N 2.68Å; F253-F258 HydrophobicContact CE1-CB 4.21Å; F253-F258 HydrophobicContact CE1-CD2 4.17Å; F253-F258 HydrophobicContact CE1-CG 4.04Å; F253-F258 HydrophobicContact CE2-CD2 4.16Å; F253-F258 HydrophobicContact CE2-CE2 4.49Å; F253-F258 HydrophobicContact CZ-CB 4.26Å; F253-F258 HydrophobicContact CZ-CD1 4.41Å; F253-F258 AromaticContact CZ-CD2 3.43Å; F253-F258 HydrophobicContact CZ-CD2 3.43Å; F253-F258 VanDerWaalsContact CZ-CD2 3.43Å; F253-F258 AromaticContact CZ-CE2 3.77Å; F253-F258 HydrophobicContact CZ-CE2 3.77Å; F253-F258 AromaticContact CZ-CG 3.78Å; F253-F258 HydrophobicContact CZ-CG 3.78Å; F253-F258 HydrophobicContact CZ-CZ 4.41Å
254	N	54.9	Low	70.6	Confident	82 Å²	82	84.3 Å²	84.3	44%	0.439	43%	0.433	S	S	.	.			trans	-72.8	85.1	-175.8	-155.2	-1	0	0	0	108.3	D252 R256 D257 F258	D252-N254 VanDerWaalsContact C-N 3.28Å; D252-N254 PolarHBondContact O-N 3.37Å; N254-R256 PolarHBondContact O-N 3.04Å; N254-D257 HydrophobicContact CB-CB 4.37Å; N254-D257 WeakPolarHBondContact CB-OD2 3.5Å; N254-D257 PolarHBondContact ND2-OD2 3.11Å; N254-D257 PolarHBondContact O-N 3.18Å; N254-F258 PolarHBondContact O-N 3.18Å; N254-F258 VanDerWaalsContact O-N 3.09Å
255	L	54.9	Low	69	Low	105 Å²	105	87.9 Å²	87.9	55%	0.55	45%	0.45	S	S	.	.	H	α-helix	trans	-51.8	-26.3	177.8	-94	149.2	0	0	0	111.9	F253 N259	F253-L255 HydrophobicContact CD1-CD2 4.46Å; F253-L255 HydrophobicContact CD1-CG 3.85Å; F253-L255 HydrophobicContact CE1-CD2 4.09Å; F253-L255 HydrophobicContact CE1-CG 3.97Å; F253-L255 PolarHBondContact O-N 2.68Å; L255-N259 WeakPolarHBondContact O-CB 3.34Å; L255-N259 PolarHBondContact O-N 3.43Å; L255-N259 PolarHBondContact O-ND2 3.17Å
256	R	56.3	Low	67.5	Low	205 Å²	205	89.8 Å²	89.8	77%	0.774	47%	0.466	S	S	*	.	H	α-helix	trans	-63.4	-51.4	172.6	-94.2	-178.6	170.8	170.6	-2.6	112.2	N254 F258 N259 V260	N254-R256 PolarHBondContact O-N 3.04Å; R256-F258 VanDerWaalsContact C-N 3.29Å; R256-F258 PolarHBondContact O-N 3.31Å; R256-N259 PolarHBondContact O-N 2.63Å; R256-V260 WeakPolarHBondContact O-CG2 3.36Å; R256-V260 PolarHBondContact O-N 3.19Å
257	D	54.3	Low	66.2	Low	69 Å²	69	92.5 Å²	92.5	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-68	-34.4	-179.8	-56.9	-22.1	0	0	0	110.8	N254 V260 D262	N254-D257 HydrophobicContact CB-CB 4.37Å; N254-D257 WeakPolarHBondContact CB-OD2 3.5Å; N254-D257 PolarHBondContact ND2-OD2 3.11Å; N254-D257 PolarHBondContact O-N 3.18Å; D257-V260 PolarHBondContact O-N 3.44Å; D257-D262 PolarHBondContact O-N 3.23Å; D257-D262 VanDerWaalsContact O-N 3.13Å
258	F	54.6	Low	65	Low	89 Å²	89	96.3 Å²	96.3	39%	0.39	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-43.7	173.2	-169.4	-91.1	0	0	0	112.6	F253 N254 R256 V260 G261 Y263	F253-F258 HydrophobicContact CE1-CB 4.21Å; F253-F258 HydrophobicContact CE1-CD2 4.17Å; F253-F258 HydrophobicContact CE1-CG 4.04Å; F253-F258 HydrophobicContact CE2-CD2 4.16Å; F253-F258 HydrophobicContact CE2-CE2 4.49Å; F253-F258 HydrophobicContact CZ-CB 4.26Å; F253-F258 HydrophobicContact CZ-CD1 4.41Å; F253-F258 AromaticContact CZ-CD2 3.43Å; F253-F258 HydrophobicContact CZ-CD2 3.43Å; F253-F258 VanDerWaalsContact CZ-CD2 3.43Å; F253-F258 AromaticContact CZ-CE2 3.77Å; F253-F258 HydrophobicContact CZ-CE2 3.77Å; F253-F258 AromaticContact CZ-CG 3.78Å; F253-F258 HydrophobicContact CZ-CG 3.78Å; F253-F258 HydrophobicContact CZ-CZ 4.41Å; N254-F258 PolarHBondContact O-N 3.18Å; N254-F258 VanDerWaalsContact O-N 3.09Å; R256-F258 VanDerWaalsContact C-N 3.29Å; R256-F258 PolarHBondContact O-N 3.31Å; F258-V260 VanDerWaalsContact C-N 3.27Å; F258-V260 PolarHBondContact O-N 3.32Å; F258-G261 PolarHBondContact O-N 3.03Å; F258-Y263 AromaticContact CD2-CD2 3.98Å; F258-Y263 HydrophobicContact CD2-CD2 3.98Å; F258-Y263 AromaticContact CE2-CD2 3.63Å; F258-Y263 HydrophobicContact CE2-CD2 3.63Å; F258-Y263 HydrophobicContact CE2-CE2 4.25Å
259	N	56.5	Low	63.8	Low	123 Å²	123	95.4 Å²	95.4	66%	0.658	50%	0.503	S	S	*	.	H	α-helix	trans	-74.2	-15.3	-178.1	-73.6	-27	0	0	0	113.7	L255 R256	L255-N259 WeakPolarHBondContact O-CB 3.34Å; L255-N259 PolarHBondContact O-N 3.43Å; L255-N259 PolarHBondContact O-ND2 3.17Å; R256-N259 PolarHBondContact O-N 2.63Å
260	V	63.7	Low	63.3	Low	125 Å²	125	100.9 Å²	100.9	76%	0.758	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.1	178	-173.2	0	0	0	0	111.7	R256 D257 F258	R256-V260 WeakPolarHBondContact O-CG2 3.36Å; R256-V260 PolarHBondContact O-N 3.19Å; D257-V260 PolarHBondContact O-N 3.44Å; F258-V260 VanDerWaalsContact C-N 3.27Å; F258-V260 PolarHBondContact O-N 3.32Å
261	G	54.9	Low	63	Low	66 Å²	66	102.1 Å²	102.1	68%	0.68	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	7.8	176.1	0	0	0	0	0	114.8	F258 Y263	F258-G261 PolarHBondContact O-N 3.03Å; G261-Y263 VanDerWaalsContact C-N 3.29Å; G261-Y263 PolarHBondContact O-N 3.4Å
262	D	59.8	Low	63.6	Low	84 Å²	84	99 Å²	99	45%	0.449	51%	0.507	S	S	.	.			trans	-95.5	41.3	-176.1	-145.1	-6.3	0	0	0	112.7	D257 I264 Q265	D257-D262 PolarHBondContact O-N 3.23Å; D257-D262 VanDerWaalsContact O-N 3.13Å; D262-I264 PolarHBondContact O-N 3.29Å; D262-Q265 PolarHBondContact O-N 3.3Å; D262-Q265 WeakPolarHBondContact OD1-CB 3.48Å
263	Y	66.3	Low	64.6	Low	138 Å²	138	92.9 Å²	92.9	54%	0.541	48%	0.475	S	S	.	.	H	α-helix	trans	-54.6	-37.3	180	167	-102.7	0	0	0	112.7	F258 G261 V267	F258-Y263 AromaticContact CD2-CD2 3.98Å; F258-Y263 HydrophobicContact CD2-CD2 3.98Å; F258-Y263 AromaticContact CE2-CD2 3.63Å; F258-Y263 HydrophobicContact CE2-CD2 3.63Å; F258-Y263 HydrophobicContact CE2-CE2 4.25Å; G261-Y263 VanDerWaalsContact C-N 3.29Å; G261-Y263 PolarHBondContact O-N 3.4Å; Y263-V267 HydrophobicContact CE1-CG2 4.41Å; Y263-V267 HydrophobicContact CE2-CG2 4.03Å; Y263-V267 PolarHBondContact O-N 2.96Å
264	I	68.5	Low	66.4	Low	118 Å²	118	88 Å²	88	61%	0.605	45%	0.454	S	S	*	.	H	α-helix	trans	-65.3	-43.6	-176.8	-63.2	179.3	0	0	0	109.9	D262 A266 V267 L268	D262-I264 PolarHBondContact O-N 3.29Å; I264-A266 PolarHBondContact O-N 3.36Å; I264-V267 PolarHBondContact O-N 2.91Å; I264-L268 HydrophobicContact CG2-CD1 3.84Å; I264-L268 HydrophobicContact CG2-CG 4.22Å; I264-L268 VanDerWaalsContact O-CG 3.29Å; I264-L268 WeakPolarHBondContact O-CG 3.23Å; I264-L268 PolarHBondContact O-N 3.11Å
265	Q	65.3	Low	68.1	Low	80 Å²	80	86.5 Å²	86.5	37%	0.374	45%	0.446	S	S	.	.	H	α-helix	trans	-65.6	-41.7	-176.5	-167.5	58.6	46.2	0	0	112.4	D262 V267 L268 D269	D262-Q265 PolarHBondContact O-N 3.3Å; D262-Q265 WeakPolarHBondContact OD1-CB 3.48Å; Q265-V267 VanDerWaalsContact C-N 3.28Å; Q265-V267 PolarHBondContact O-N 3.3Å; Q265-L268 WeakPolarHBondContact O-CB 3.39Å; Q265-L268 PolarHBondContact O-N 2.91Å; Q265-L268 VanDerWaalsContact O-N 3.11Å; Q265-D269 PolarHBondContact NE2-OD1 3.12Å; Q265-D269 VanDerWaalsContact O-CG 3.29Å; Q265-D269 PolarHBondContact O-N 3.43Å
266	A	66.1	Low	70	Confident	40 Å²	40	81.6 Å²	81.6	33%	0.331	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-35	177.4	0	0	0	0	0	113.1	I264 R270	I264-A266 PolarHBondContact O-N 3.36Å; A266-R270 PolarHBondContact O-N 3.22Å
267	V	71.8	Confident	71.8	Confident	62 Å²	62	72.1 Å²	72.1	38%	0.376	39%	0.386	S	S	.	.	H	α-helix	trans	-75	-37.1	175.4	176.3	0	0	0	0	111.4	Y263 I264 Q265 R270 N271	Y263-V267 HydrophobicContact CE1-CG2 4.41Å; Y263-V267 HydrophobicContact CE2-CG2 4.03Å; Y263-V267 PolarHBondContact O-N 2.96Å; I264-V267 PolarHBondContact O-N 2.91Å; Q265-V267 VanDerWaalsContact C-N 3.28Å; Q265-V267 PolarHBondContact O-N 3.3Å; V267-R270 PolarHBondContact O-N 3Å; V267-N271 PolarHBondContact O-N 2.95Å; V267-N271 VanDerWaalsContact O-N 3.15Å; V267-N271 PolarHBondContact O-ND2 3.11Å; V267-N271 VanDerWaalsContact O-ND2 3.16Å
268	L	70.5	Confident	73.5	Confident	81 Å²	81	71.7 Å²	71.7	42%	0.424	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-43.6	174.9	-70.3	174.5	0	0	0	111.5	I264 Q265 R270 N271 L272	I264-L268 HydrophobicContact CG2-CD1 3.84Å; I264-L268 HydrophobicContact CG2-CG 4.22Å; I264-L268 VanDerWaalsContact O-CG 3.29Å; I264-L268 WeakPolarHBondContact O-CG 3.23Å; I264-L268 PolarHBondContact O-N 3.11Å; Q265-L268 WeakPolarHBondContact O-CB 3.39Å; Q265-L268 PolarHBondContact O-N 2.91Å; Q265-L268 VanDerWaalsContact O-N 3.11Å; L268-R270 VanDerWaalsContact C-N 3.3Å; L268-R270 PolarHBondContact O-N 3.41Å; L268-N271 WeakPolarHBondContact O-CA 3.36Å; L268-N271 WeakPolarHBondContact O-CB 3.39Å; L268-N271 PolarHBondContact O-N 3.02Å; L268-L272 WeakPolarHBondContact O-CG 3.41Å; L268-L272 PolarHBondContact O-N 3.26Å
269	D	68.6	Low	75.1	Confident	65 Å²	65	70 Å²	70	35%	0.348	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-37.9	-180	-68.7	-14.7	0	0	0	112	Q265 L272 A273	Q265-D269 PolarHBondContact NE2-OD1 3.12Å; Q265-D269 VanDerWaalsContact O-CG 3.29Å; Q265-D269 PolarHBondContact O-N 3.43Å; D269-L272 PolarHBondContact O-N 3.15Å; D269-A273 PolarHBondContact O-N 3.11Å; D269-A273 VanDerWaalsContact O-N 3.14Å
270	R	77.8	Confident	76.2	Confident	132 Å²	132	64.4 Å²	64.4	50%	0.498	35%	0.345	S	S	.	.	H	α-helix	trans	-61.2	-45.3	171.4	168.6	171.9	160.6	166.7	-6.4	111.7	A249 A266 V267 L268 L272 A273 E274	A249-R270 HydrophobicContact CB-CB 3.86Å; A249-R270 HydrophobicContact CB-CG 3.64Å; A266-R270 PolarHBondContact O-N 3.22Å; V267-R270 PolarHBondContact O-N 3Å; L268-R270 VanDerWaalsContact C-N 3.3Å; L268-R270 PolarHBondContact O-N 3.41Å; R270-L272 VanDerWaalsContact C-N 3.27Å; R270-L272 PolarHBondContact O-N 3.42Å; R270-A273 PolarHBondContact O-N 2.83Å; R270-E274 HydrophobicContact CG-CG 4.49Å; R270-E274 IonicContact CZ-OE2 3.02Å; R270-E274 IonicContact NE-OE1 3.53Å; R270-E274 IonicContact NE-OE2 3.61Å; R270-E274 PolarHBondContact NE-OE2 3.2Å; R270-E274 VanDerWaalsContact NE-OE2 3.12Å; R270-E274 IonicContact NH2-OE1 3.11Å; R270-E274 IonicContact NH2-OE2 2.81Å; R270-E274 WeakPolarHBondContact O-CG 3.48Å; R270-E274 PolarHBondContact O-N 2.99Å
271	N	79.1	Confident	76.5	Confident	62 Å²	62	61.7 Å²	61.7	33%	0.332	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-35.5	177	-78.2	-48.7	0	0	0	112	V267 L268 E274 N275 R278	V267-N271 PolarHBondContact O-N 2.95Å; V267-N271 VanDerWaalsContact O-N 3.15Å; V267-N271 PolarHBondContact O-ND2 3.11Å; V267-N271 VanDerWaalsContact O-ND2 3.16Å; L268-N271 WeakPolarHBondContact O-CA 3.36Å; L268-N271 WeakPolarHBondContact O-CB 3.39Å; L268-N271 PolarHBondContact O-N 3.02Å; N271-E274 PolarHBondContact O-N 2.8Å; N271-N275 PolarHBondContact O-N 3.27Å; N271-N275 PolarHBondContact O-ND2 3.19Å; N271-R278 PolarHBondContact O-NH2 2.77Å
272	L	79.1	Confident	77	Confident	93 Å²	93	59.5 Å²	59.5	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-65.1	-39.1	176.2	-69.1	173.8	0	0	0	112.4	L268 D269 R270 N275	L268-L272 WeakPolarHBondContact O-CG 3.41Å; L268-L272 PolarHBondContact O-N 3.26Å; D269-L272 PolarHBondContact O-N 3.15Å; R270-L272 VanDerWaalsContact C-N 3.27Å; R270-L272 PolarHBondContact O-N 3.42Å; L272-N275 PolarHBondContact O-N 3.08Å
273	A	83.3	Confident	77.1	Confident	5 Å²	5	59 Å²	59	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-47.1	174.6	0	0	0	0	0	111.8	V222 A247 A249 D269 R270 N275 I276	V222-A273 HydrophobicContact CG1-CB 4.3Å; V222-A273 HydrophobicContact CG2-CB 3.9Å; A247-A273 WeakPolarHBondContact CB-O 3.26Å; A249-A273 HydrophobicContact CB-CB 4.16Å; D269-A273 PolarHBondContact O-N 3.11Å; D269-A273 VanDerWaalsContact O-N 3.14Å; R270-A273 PolarHBondContact O-N 2.83Å; A273-N275 PolarHBondContact O-N 3.45Å; A273-I276 PolarHBondContact O-N 2.86Å
274	E	88.7	Confident	76.8	Confident	24 Å²	24	56.6 Å²	56.6	11%	0.112	29%	0.29	C	S	.	.	H	α-helix	trans	-71	-13.6	-178.9	-63.6	-171.7	131.5	0	0	112.3	R248 R270 N271 I276 R278	R248-E274 WeakPolarHBondContact CD-OE1 3.19Å; R248-E274 IonicContact CZ-OE1 3.41Å; R248-E274 IonicContact NH1-OE1 2.69Å; R248-E274 PolarHBondContact NH1-OE1 3.22Å; R270-E274 HydrophobicContact CG-CG 4.49Å; R270-E274 IonicContact CZ-OE2 3.02Å; R270-E274 IonicContact NE-OE1 3.53Å; R270-E274 IonicContact NE-OE2 3.61Å; R270-E274 PolarHBondContact NE-OE2 3.2Å; R270-E274 VanDerWaalsContact NE-OE2 3.12Å; R270-E274 IonicContact NH2-OE1 3.11Å; R270-E274 IonicContact NH2-OE2 2.81Å; R270-E274 WeakPolarHBondContact O-CG 3.48Å; R270-E274 PolarHBondContact O-N 2.99Å; N271-E274 PolarHBondContact O-N 2.8Å; E274-I276 PolarHBondContact O-N 3.09Å; E274-R278 PolarHBondContact O-NH2 2.98Å
275	N	90.7	Very high	76.1	Confident	51 Å²	51	56 Å²	56	27%	0.273	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.7	178.6	-89.2	-28.2	0	0	0	112.3	N271 L272 A273 S277 R278 L292	N271-N275 PolarHBondContact O-N 3.27Å; N271-N275 PolarHBondContact O-ND2 3.19Å; L272-N275 PolarHBondContact O-N 3.08Å; A273-N275 PolarHBondContact O-N 3.45Å; N275-S277 VanDerWaalsContact C-N 3.32Å; N275-S277 PolarHBondContact O-N 2.78Å; N275-R278 VanDerWaalsContact CA-NH2 3.34Å; N275-R278 WeakPolarHBondContact O-CB 3.35Å; N275-R278 PolarHBondContact O-N 3.32Å; N275-R278 VanDerWaalsContact O-N 3.11Å; N275-R278 PolarHBondContact OD1-NE 3.02Å; N275-R278 VanDerWaalsContact OD1-NE 3.13Å; N275-R278 PolarHBondContact OD1-NH1 2.84Å; N275-R278 VanDerWaalsContact OD1-NH1 3.12Å; N275-R278 PolarHBondContact OD1-NH2 3.15Å; N275-L292 HydrophobicContact CB-CD1 4.35Å
276	I	93.8	Very high	76	Confident	2 Å²	2	59 Å²	59	1%	0.01	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-47.1	-178.6	-63.6	174.1	0	0	0	110.7	F203 V222 A247 A273 E274 L292 K295 Q296 F299	F203-I276 HydrophobicContact CE2-CD1 3.64Å; F203-I276 HydrophobicContact CZ-CD1 3.88Å; V222-I276 HydrophobicContact CG1-CD1 4.31Å; V222-I276 HydrophobicContact CG2-CD1 4.19Å; A247-I276 HydrophobicContact CB-CB 3.87Å; A247-I276 HydrophobicContact CB-CG2 4.39Å; A273-I276 PolarHBondContact O-N 2.86Å; E274-I276 PolarHBondContact O-N 3.09Å; I276-L292 HydrophobicContact CG1-CD1 4.34Å; I276-K295 HydrophobicContact CD1-CB 4.24Å; I276-K295 HydrophobicContact CD1-CD 4.39Å; I276-K295 HydrophobicContact CG1-CB 4.16Å; I276-K295 HydrophobicContact CG1-CD 4.43Å; I276-Q296 HydrophobicContact CG2-CG 4.07Å; I276-Q296 WeakPolarHBondContact O-CG 3.5Å; I276-Q296 PolarHBondContact O-NE2 3.02Å; I276-F299 HydrophobicContact CG2-CB 3.74Å; I276-F299 HydrophobicContact CG2-CD1 3.87Å; I276-F299 HydrophobicContact CG2-CD2 4.33Å; I276-F299 HydrophobicContact CG2-CG 3.73Å
277	S	94.3	Very high	75.6	Confident	6 Å²	6	62.7 Å²	62.7	4%	0.042	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	24.4	179.7	64.6	0	0	0	0	113.6	Y162 E163 A247 N275	Y162-S277 VanDerWaalsContact CA-O 3.31Å; Y162-S277 WeakPolarHBondContact CA-O 3.47Å; E163-S277 PolarHBondContact N-O 3.12Å; A247-S277 PolarHBondContact N-OG 2.76Å; N275-S277 VanDerWaalsContact C-N 3.32Å; N275-S277 PolarHBondContact O-N 2.78Å
278	R	90.7	Very high	75.6	Confident	60 Å²	60	67.2 Å²	67.2	23%	0.226	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-55.4	-173.5	-156.7	161.3	-50.3	177.8	16.8	113.5	E163 Y164 N271 E274 N275	E163-R278 PolarHBondContact N-O 2.93Å; Y164-R278 HydrophobicContact CD2-CG 3.89Å; Y164-R278 WeakPolarHBondContact CD2-O 3.23Å; Y164-R278 HydrophobicContact CE2-CG 4.02Å; Y164-R278 PolarHBondContact N-O 3.44Å; N271-R278 PolarHBondContact O-NH2 2.77Å; E274-R278 PolarHBondContact O-NH2 2.98Å; N275-R278 VanDerWaalsContact CA-NH2 3.34Å; N275-R278 WeakPolarHBondContact O-CB 3.35Å; N275-R278 PolarHBondContact O-N 3.32Å; N275-R278 VanDerWaalsContact O-N 3.11Å; N275-R278 PolarHBondContact OD1-NE 3.02Å; N275-R278 VanDerWaalsContact OD1-NE 3.13Å; N275-R278 PolarHBondContact OD1-NH1 2.84Å; N275-R278 VanDerWaalsContact OD1-NH1 3.12Å; N275-R278 PolarHBondContact OD1-NH2 3.15Å
279	V	87.7	Confident	75.9	Confident	53 Å²	53	63.7 Å²	63.7	32%	0.321	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-128.2	139.9	-176.4	69	0	0	0	0	111.9	Y162 Y164 Y281 P282 Q296	Y162-V279 VanDerWaalsContact CD1-C 3.47Å; Y162-V279 WeakPolarHBondContact CD1-O 3.34Å; Y162-V279 WeakPolarHBondContact CE1-O 3.26Å; Y164-V279 WeakPolarHBondContact O-CA 3.5Å; V279-Y281 PolarHBondContact O-N 3.2Å; V279-P282 HydrophobicContact CG1-CB 4.39Å; V279-Q296 PolarHBondContact O-NE2 3.04Å
280	L	80.1	Confident	76.6	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.026	31%	0.31	C	S	.	.	S	Bend	trans	-73.6	116.2	173	175	60.7	0	0	0	110.4	E89 L132 G133 N134 Y162 Y164 I166	E89-L280 HydrophobicContact CG-CD1 4.22Å; L132-L280 VanDerWaalsContact C-CD2 3.5Å; G133-L280 VanDerWaalsContact N-CD2 3.29Å; N134-L280 WeakPolarHBondContact OD1-CD2 3.31Å; N134-L280 WeakPolarHBondContact OD1-CG 3.28Å; Y162-L280 HydrophobicContact CD1-CB 4.23Å; Y162-L280 HydrophobicContact CD2-CB 3.99Å; Y162-L280 HydrophobicContact CD2-CD1 4.05Å; Y162-L280 HydrophobicContact CD2-CG 4.49Å; Y162-L280 HydrophobicContact CE1-CB 4.43Å; Y162-L280 HydrophobicContact CE1-CD1 4.47Å; Y162-L280 HydrophobicContact CE2-CB 4.22Å; Y162-L280 HydrophobicContact CE2-CD1 3.49Å; Y162-L280 VanDerWaalsContact CE2-CD1 3.49Å; Y162-L280 HydrophobicContact CE2-CG 4.37Å; Y162-L280 HydrophobicContact CG-CB 3.98Å; Y164-L280 PolarHBondContact O-N 3.21Å; I166-L280 HydrophobicContact CB-CD2 4.11Å
281	Y	70.3	Confident	77.2	Confident	68 Å²	68	59.3 Å²	59.3	27%	0.267	29%	0.291	S	S	.	.	S	Bend	trans	54.1	89.5	-173.7	-67.2	-93.3	0	0	0	114.2	E89 N134 V279 R293 H342	E89-Y281 HydrophobicContact CG-CE2 3.88Å; E89-Y281 WeakPolarHBondContact OE1-CE2 3.23Å; E89-Y281 PolarHBondContact OE1-OH 2.83Å; N134-Y281 WeakPolarHBondContact ND2-CD2 3.45Å; N134-Y281 WeakPolarHBondContact ND2-CE2 3.32Å; V279-Y281 PolarHBondContact O-N 3.2Å; Y281-R293 VanDerWaalsContact CZ-NH1 3.3Å; Y281-R293 PolarHBondContact OH-NH2 2.85Å; Y281-H342 PolarHBondContact OH-CE1 3.24Å; Y281-H342 PolarHBondContact OH-NE2 3Å
282	P	64.8	Low	77.8	Confident	21 Å²	21	58.1 Å²	58.1	14%	0.136	28%	0.284	C	S	.	.			trans	-61.9	154.3	167.7	30.2	-35.7	0	0	0	110.5	V279 D284 L292	V279-P282 HydrophobicContact CG1-CB 4.39Å; P282-D284 PolarHBondContact O-N 3.33Å; P282-D284 VanDerWaalsContact O-N 3.11Å; P282-L292 HydrophobicContact CB-CD2 3.94Å; P282-L292 HydrophobicContact CG-CB 4.25Å; P282-L292 HydrophobicContact CG-CD2 3.94Å; P282-L292 HydrophobicContact CG-CG 4.09Å
283	N	63	Low	78.4	Confident	74 Å²	74	54.2 Å²	54.2	40%	0.396	26%	0.263	S	S	.	.			trans	-60.1	115.6	170.7	-177	-6	0	0	0	109.3	N285 G289	N283-N285 VanDerWaalsContact OD1-CB 3.31Å; N283-N285 WeakPolarHBondContact OD1-CB 3.39Å; N283-N285 PolarHBondContact OD1-N 3.24Å; N283-N285 VanDerWaalsContact OD1-N 3.15Å; N283-N285 PolarHBondContact OD1-ND2 2.58Å; N283-G289 WeakPolarHBondContact O-CA 3.22Å
284	D	58.2	Low	79	Confident	87 Å²	87	54 Å²	54	47%	0.465	26%	0.261	S	S	.	.			trans	-99	9	-173	68.7	-34.9	0	0	0	113.3	P282 F286 K290	P282-D284 PolarHBondContact O-N 3.33Å; P282-D284 VanDerWaalsContact O-N 3.11Å; D284-F286 PolarHBondContact O-N 2.98Å; D284-F286 VanDerWaalsContact O-N 3.14Å; D284-K290 HydrophobicContact CB-CG 4.17Å; D284-K290 WeakPolarHBondContact O-CE 3.21Å; D284-K290 WeakPolarHBondContact O-CG 3.13Å
285	N	54.5	Low	79.4	Confident	106 Å²	106	54.2 Å²	54.2	57%	0.567	26%	0.262	S	S	*	.	S	Bend	trans	-63.2	-15.8	171.7	-73.1	-19.7	0	0	0	112.8	N283	N283-N285 VanDerWaalsContact OD1-CB 3.31Å; N283-N285 WeakPolarHBondContact OD1-CB 3.39Å; N283-N285 PolarHBondContact OD1-N 3.24Å; N283-N285 VanDerWaalsContact OD1-N 3.15Å; N283-N285 PolarHBondContact OD1-ND2 2.58Å
286	F	62.8	Low	79.7	Confident	142 Å²	142	51.8 Å²	51.8	62%	0.623	25%	0.249	S	C	*	.	S	Bend	trans	-116.9	153.5	178.2	-56.6	-79.9	0	0	0	111.4	D284 E288 G289 K290	D284-F286 PolarHBondContact O-N 2.98Å; D284-F286 VanDerWaalsContact O-N 3.14Å; F286-E288 VanDerWaalsContact C-N 3.31Å; F286-E288 PolarHBondContact O-N 2.74Å; F286-G289 PolarHBondContact O-N 3.39Å; F286-G289 VanDerWaalsContact O-N 3.08Å; F286-K290 PolarHBondContact O-N 3.17Å
287	F	58.8	Low	79.9	Confident	118 Å²	118	51.7 Å²	51.7	52%	0.518	25%	0.249	S	C	.	.	H	α-helix	trans	-55	-43.6	-177.8	178.7	-92.4	0	0	0	113	G289 K290 E291 L392	F287-G289 VanDerWaalsContact C-N 3.27Å; F287-G289 PolarHBondContact O-N 3.44Å; F287-K290 WeakPolarHBondContact O-CB 3.46Å; F287-K290 PolarHBondContact O-N 3.32Å; F287-K290 VanDerWaalsContact O-N 3.13Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.43Å; F287-E291 PolarHBondContact O-N 3.42Å; F287-L392 HydrophobicContact CE2-CD1 4.06Å; F287-L392 HydrophobicContact CZ-CD1 3.76Å
288	E	70.6	Confident	80.1	Confident	156 Å²	156	51.5 Å²	51.5	73%	0.729	25%	0.247	S	C	*	.	H	α-helix	trans	-61.2	-35.6	179.1	-63.7	167.4	161.5	0	0	112.3	F286 L292	F286-E288 VanDerWaalsContact C-N 3.31Å; F286-E288 PolarHBondContact O-N 2.74Å; E288-L292 WeakPolarHBondContact O-CB 3.43Å; E288-L292 PolarHBondContact O-N 3.43Å
289	G	77.2	Confident	80.5	Confident	8 Å²	8	48.7 Å²	48.7	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-39.1	175.5	0	0	0	0	0	112.6	N283 F286 F287 R293	N283-G289 WeakPolarHBondContact O-CA 3.22Å; F286-G289 PolarHBondContact O-N 3.39Å; F286-G289 VanDerWaalsContact O-N 3.08Å; F287-G289 VanDerWaalsContact C-N 3.27Å; F287-G289 PolarHBondContact O-N 3.44Å; G289-R293 WeakPolarHBondContact O-CB 3.29Å; G289-R293 PolarHBondContact O-N 3.29Å
290	K	82.4	Confident	81	Confident	84 Å²	84	46.2 Å²	46.2	37%	0.365	22%	0.222	S	C	.	.	H	α-helix	trans	-65.1	-45	174.2	-71.7	-173.4	-178.6	-176.2	0	112.2	D284 F286 F287 R293 L294 W388 L392	D284-K290 HydrophobicContact CB-CG 4.17Å; D284-K290 WeakPolarHBondContact O-CE 3.21Å; D284-K290 WeakPolarHBondContact O-CG 3.13Å; F286-K290 PolarHBondContact O-N 3.17Å; F287-K290 WeakPolarHBondContact O-CB 3.46Å; F287-K290 PolarHBondContact O-N 3.32Å; F287-K290 VanDerWaalsContact O-N 3.13Å; K290-R293 PolarHBondContact O-N 3.43Å; K290-L294 PolarHBondContact O-N 3.4Å; K290-W388 HydrophobicContact CB-CZ3 3.99Å; K290-W388 HydrophobicContact CG-CZ3 4.45Å; K290-W388 WeakPolarHBondContact O-CZ3 3.48Å; K290-L392 HydrophobicContact CB-CD2 4.33Å
291	E	91.1	Very high	81.9	Confident	20 Å²	20	46 Å²	46	9%	0.093	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-44.3	176.5	-175.8	170.3	-173.1	0	0	111.8	Y204 F287 R293 L294 K295 L392	Y204-E291 VanDerWaalsContact CE1-OE1 3.24Å; Y204-E291 WeakPolarHBondContact CE1-OE1 2.94Å; Y204-E291 VanDerWaalsContact CZ-OE1 3.26Å; Y204-E291 PolarHBondContact OH-OE1 3.17Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.43Å; F287-E291 PolarHBondContact O-N 3.42Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 3.48Å; E291-L294 PolarHBondContact O-N 2.91Å; E291-K295 WeakPolarHBondContact O-CG 3.08Å; E291-K295 PolarHBondContact O-N 2.87Å; E291-L392 HydrophobicContact CB-CD1 3.87Å; E291-L392 HydrophobicContact CG-CD1 4.02Å
292	L	91.6	Very high	83.2	Confident	37 Å²	37	42.8 Å²	42.8	19%	0.194	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-38.8	176.6	-179	59	0	0	0	112	N275 I276 P282 E288 K295 Q296	N275-L292 HydrophobicContact CB-CD1 4.35Å; I276-L292 HydrophobicContact CG1-CD1 4.34Å; P282-L292 HydrophobicContact CB-CD2 3.94Å; P282-L292 HydrophobicContact CG-CB 4.25Å; P282-L292 HydrophobicContact CG-CD2 3.94Å; P282-L292 HydrophobicContact CG-CG 4.09Å; E288-L292 WeakPolarHBondContact O-CB 3.43Å; E288-L292 PolarHBondContact O-N 3.43Å; L292-K295 WeakPolarHBondContact O-CB 3.4Å; L292-K295 PolarHBondContact O-N 3.42Å; L292-Q296 WeakPolarHBondContact O-CG 3.48Å; L292-Q296 PolarHBondContact O-N 3.41Å
293	R	91.9	Very high	84.8	Confident	12 Å²	12	41.8 Å²	41.8	5%	0.045	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-47.5	175.9	176.4	57.8	-176.7	-156	-9.5	111.9	L88 Y281 G289 K290 E291 K295 Q296 E297 H342 W388	L88-R293 VanDerWaalsContact CD2-CZ 3.41Å; Y281-R293 VanDerWaalsContact CZ-NH1 3.3Å; Y281-R293 PolarHBondContact OH-NH2 2.85Å; G289-R293 WeakPolarHBondContact O-CB 3.29Å; G289-R293 PolarHBondContact O-N 3.29Å; K290-R293 PolarHBondContact O-N 3.43Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 3.48Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 3.22Å; R293-Q296 WeakPolarHBondContact O-CB 3.44Å; R293-Q296 PolarHBondContact O-N 3.36Å; R293-Q296 VanDerWaalsContact O-N 3.08Å; R293-E297 IonicContact CZ-OE1 3.43Å; R293-E297 IonicContact NE-OE1 3.72Å; R293-E297 PolarHBondContact NE-OE1 3.27Å; R293-E297 IonicContact NH2-OE1 2.8Å; R293-E297 PolarHBondContact O-N 2.85Å; R293-H342 PolarHBondContact NH2-CD2 3.33Å; R293-H342 PolarHBondContact NH2-NE2 3.22Å; R293-W388 HydrophobicContact CB-CH2 3.92Å; R293-W388 HydrophobicContact CG-CH2 3.69Å; R293-W388 HydrophobicContact CG-CZ2 3.86Å
294	L	95.6	Very high	86.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-36.1	175.8	-173.9	63.9	0	0	0	111.9	K290 E291 E297 Y298 L345 W388 L392 V393 L396	K290-L294 PolarHBondContact O-N 3.4Å; E291-L294 PolarHBondContact O-N 2.91Å; L294-E297 PolarHBondContact O-N 2.71Å; L294-Y298 PolarHBondContact O-N 3.09Å; L294-L345 HydrophobicContact CD1-CD1 3.8Å; L294-W388 HydrophobicContact CB-CH2 4.31Å; L294-W388 HydrophobicContact CB-CZ2 4.34Å; L294-W388 HydrophobicContact CB-CZ3 4.39Å; L294-W388 HydrophobicContact CD1-CD2 4.06Å; L294-W388 HydrophobicContact CD1-CG 4.14Å; L294-W388 HydrophobicContact CD1-CZ2 4.44Å; L294-L392 HydrophobicContact CD2-CD2 4.1Å; L294-L392 HydrophobicContact CD2-CG 3.96Å; L294-V393 HydrophobicContact CD2-CG2 3.99Å; L294-L396 HydrophobicContact CB-CD2 4.12Å; L294-L396 HydrophobicContact CD2-CD2 3.77Å; L294-L396 HydrophobicContact CG-CD2 3.82Å
295	K	96.9	Very high	88.5	Confident	28 Å²	28	34.1 Å²	34.1	12%	0.122	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-42.6	171.8	-75.8	-178.1	177.4	179.9	0	112.4	F203 Y204 I276 E291 L292 R293 F299 L396	F203-K295 HydrophobicContact CD1-CG 4.01Å; F203-K295 HydrophobicContact CE1-CB 3.94Å; F203-K295 HydrophobicContact CE1-CG 3.76Å; F203-K295 HydrophobicContact CZ-CB 4.13Å; F203-K295 HydrophobicContact CZ-CG 4.25Å; Y204-K295 WeakPolarHBondContact OH-CE 3.3Å; Y204-K295 PolarHBondContact OH-NZ 2.93Å; I276-K295 HydrophobicContact CD1-CB 4.24Å; I276-K295 HydrophobicContact CD1-CD 4.39Å; I276-K295 HydrophobicContact CG1-CB 4.16Å; I276-K295 HydrophobicContact CG1-CD 4.43Å; E291-K295 WeakPolarHBondContact O-CG 3.08Å; E291-K295 PolarHBondContact O-N 2.87Å; L292-K295 WeakPolarHBondContact O-CB 3.4Å; L292-K295 PolarHBondContact O-N 3.42Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 3.22Å; K295-F299 WeakPolarHBondContact O-CB 3.39Å; K295-F299 PolarHBondContact O-N 2.93Å; K295-L396 HydrophobicContact CD-CD1 4.39Å; K295-L396 HydrophobicContact CG-CD1 3.91Å; K295-L396 HydrophobicContact CG-CD2 3.74Å; K295-L396 HydrophobicContact CG-CG 4.44Å
296	Q	97	Very high	90.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-48.5	175.6	-74.6	177.3	-15.6	0	0	111.4	I160 I276 V279 L292 R293 F299 V300	I160-Q296 HydrophobicContact CD1-CB 3.78Å; I160-Q296 HydrophobicContact CD1-CG 4.2Å; I160-Q296 WeakPolarHBondContact CD1-O 3.3Å; I276-Q296 HydrophobicContact CG2-CG 4.07Å; I276-Q296 WeakPolarHBondContact O-CG 3.5Å; I276-Q296 PolarHBondContact O-NE2 3.02Å; V279-Q296 PolarHBondContact O-NE2 3.04Å; L292-Q296 WeakPolarHBondContact O-CG 3.48Å; L292-Q296 PolarHBondContact O-N 3.41Å; R293-Q296 WeakPolarHBondContact O-CB 3.44Å; R293-Q296 PolarHBondContact O-N 3.36Å; R293-Q296 VanDerWaalsContact O-N 3.08Å; Q296-F299 PolarHBondContact O-N 3.16Å; Q296-V300 PolarHBondContact O-N 3.34Å; Q296-V300 VanDerWaalsContact O-N 3.16Å
297	E	97.9	Very high	92.3	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-49.6	179	-71.1	172	-164.1	0	0	111.9	L88 R293 L294 F299 V300 V301 H342 L345 W388	L88-E297 HydrophobicContact CD1-CG 4.46Å; L88-E297 HydrophobicContact CD2-CG 3.6Å; R293-E297 IonicContact CZ-OE1 3.43Å; R293-E297 IonicContact NE-OE1 3.72Å; R293-E297 PolarHBondContact NE-OE1 3.27Å; R293-E297 IonicContact NH2-OE1 2.8Å; R293-E297 PolarHBondContact O-N 2.85Å; L294-E297 PolarHBondContact O-N 2.71Å; E297-F299 PolarHBondContact O-N 2.67Å; E297-V300 VanDerWaalsContact O-CG1 3.24Å; E297-V300 WeakPolarHBondContact O-CG1 3.3Å; E297-V301 WeakPolarHBondContact O-CB 3.46Å; E297-V301 VanDerWaalsContact O-CG2 3.25Å; E297-V301 WeakPolarHBondContact O-CG2 3.41Å; E297-V301 PolarHBondContact O-N 2.83Å; E297-H342 WeakPolarHBondContact CB-O 3.34Å; E297-H342 HydrophobicContact CG-CB 4.49Å; E297-H342 VanDerWaalsContact CG-O 3.23Å; E297-H342 WeakPolarHBondContact CG-O 3.38Å; E297-L345 HydrophobicContact CB-CD1 4.45Å; E297-W388 PolarHBondContact OE2-NE1 2.98Å; E297-W388 VanDerWaalsContact OE2-NE1 3.11Å
298	Y	98.7	Very high	94.1	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-67.6	-37.5	178.1	-173.3	-113.1	0	0	0	112.7	V201 H202 F203 W216 L294 V300 V301 A302 L345 E349 L397 H400	V201-Y298 HydrophobicContact CG1-CD1 4.12Å; V201-Y298 HydrophobicContact CG1-CE1 4.07Å; H202-Y298 WeakPolarHBondContact O-CE1 3.46Å; F203-Y298 HydrophobicContact CD1-CD1 4.12Å; F203-Y298 AromaticContact CE1-CD1 3.65Å; F203-Y298 HydrophobicContact CE1-CD1 3.65Å; F203-Y298 HydrophobicContact CE1-CG 4.37Å; F203-Y298 HydrophobicContact CZ-CD1 4.21Å; W216-Y298 HydrophobicContact CH2-CE1 4.02Å; W216-Y298 HydrophobicContact CZ3-CE1 4.21Å; W216-Y298 WeakPolarHBondContact CZ3-OH 3.06Å; L294-Y298 PolarHBondContact O-N 3.09Å; Y298-V300 PolarHBondContact O-N 2.82Å; Y298-V301 PolarHBondContact O-N 2.87Å; Y298-A302 HydrophobicContact CD1-CB 4.39Å; Y298-A302 HydrophobicContact CE1-CB 3.91Å; Y298-A302 HydrophobicContact CE2-CB 4.11Å; Y298-A302 WeakPolarHBondContact O-CB 3.26Å; Y298-A302 PolarHBondContact O-N 2.86Å; Y298-L345 HydrophobicContact CD2-CB 4.39Å; Y298-L345 HydrophobicContact CD2-CD1 4.19Å; Y298-L345 HydrophobicContact CG-CD1 4.49Å; Y298-E349 HydrophobicContact CE2-CB 4.25Å; Y298-E349 HydrophobicContact CE2-CG 4.29Å; Y298-E349 WeakPolarHBondContact CE2-OE2 3.21Å; Y298-E349 PolarHBondContact OH-OE2 2.84Å; Y298-L397 HydrophobicContact CD1-CD2 3.42Å; Y298-L397 VanDerWaalsContact CD1-CD2 3.42Å; Y298-L397 HydrophobicContact CD2-CD1 3.95Å; Y298-L397 HydrophobicContact CD2-CD2 4.03Å; Y298-L397 HydrophobicContact CE1-CD2 3.64Å; Y298-L397 HydrophobicContact CE2-CD2 4.25Å; Y298-L397 HydrophobicContact CG-CD1 3.85Å; Y298-L397 HydrophobicContact CG-CD2 3.62Å; Y298-L397 HydrophobicContact CG-CG 4.41Å; Y298-H400 AromaticContact CE2-CD2 3.9Å; Y298-H400 AromaticContact CE2-CE1 3.52Å; Y298-H400 AromaticContact CE2-NE2 3.18Å; Y298-H400 WeakPolarHBondContact CE2-NE2 3.49Å; Y298-H400 AromaticContact CZ-CE1 3.46Å; Y298-H400 VanDerWaalsContact CZ-CE1 3.46Å; Y298-H400 AromaticContact CZ-NE2 3.54Å; Y298-H400 PolarHBondContact OH-CE1 3.15Å; Y298-H400 PolarHBondContact OH-NE2 2.81Å
299	F	98.6	Very high	95.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.3	-49.6	-179.1	176.3	-103.3	0	0	0	112.6	V201 F203 V222 A224 W245 A247 I276 K295 Q296 E297 V301 A303	V201-F299 HydrophobicContact CB-CD2 4.09Å; V201-F299 HydrophobicContact CG1-CD2 4.15Å; V201-F299 HydrophobicContact CG2-CD2 3.86Å; V201-F299 HydrophobicContact CG2-CE2 4.12Å; F203-F299 HydrophobicContact CZ-CB 4.2Å; V222-F299 HydrophobicContact CG1-CD2 4.46Å; V222-F299 HydrophobicContact CG1-CE2 4.05Å; A224-F299 HydrophobicContact CB-CE2 3.62Å; A224-F299 HydrophobicContact CB-CZ 3.59Å; W245-F299 HydrophobicContact CB-CD1 4.34Å; W245-F299 HydrophobicContact CB-CE1 3.52Å; W245-F299 HydrophobicContact CB-CZ 4.05Å; A247-F299 HydrophobicContact CB-CE1 4.23Å; A247-F299 HydrophobicContact CB-CE2 3.99Å; A247-F299 HydrophobicContact CB-CZ 3.74Å; I276-F299 HydrophobicContact CG2-CB 3.74Å; I276-F299 HydrophobicContact CG2-CD1 3.87Å; I276-F299 HydrophobicContact CG2-CD2 4.33Å; I276-F299 HydrophobicContact CG2-CG 3.73Å; K295-F299 WeakPolarHBondContact O-CB 3.39Å; K295-F299 PolarHBondContact O-N 2.93Å; Q296-F299 PolarHBondContact O-N 3.16Å; E297-F299 PolarHBondContact O-N 2.67Å; F299-V301 VanDerWaalsContact C-N 3.31Å; F299-V301 PolarHBondContact O-N 3Å; F299-A303 WeakPolarHBondContact O-CB 3.42Å; F299-A303 PolarHBondContact O-N 2.8Å
300	V	98.3	Very high	96.2	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.012	7%	0.071	C	C	.	.	H	α-helix	trans	-64.6	-39.2	177.4	63.6	0	0	0	0	111.1	L88 I160 Q296 E297 Y298 T304	L88-V300 HydrophobicContact CD1-CG1 3.65Å; L88-V300 HydrophobicContact CG-CG1 4.41Å; I160-V300 HydrophobicContact CD1-CB 4.26Å; I160-V300 HydrophobicContact CG1-CB 3.89Å; I160-V300 HydrophobicContact CG1-CG2 4.37Å; Q296-V300 PolarHBondContact O-N 3.34Å; Q296-V300 VanDerWaalsContact O-N 3.16Å; E297-V300 VanDerWaalsContact O-CG1 3.24Å; E297-V300 WeakPolarHBondContact O-CG1 3.3Å; Y298-V300 PolarHBondContact O-N 2.82Å; V300-T304 WeakPolarHBondContact O-CB 3.37Å; V300-T304 PolarHBondContact O-N 2.76Å; V300-T304 VanDerWaalsContact O-N 3.09Å; V300-T304 PolarHBondContact O-OG1 3.02Å
301	V	98.7	Very high	96.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.7	-54.6	179.9	161.3	0	0	0	0	111.5	E297 Y298 F299 A303 T304 L305 P343 L345 A346 E349	E297-V301 WeakPolarHBondContact O-CB 3.46Å; E297-V301 VanDerWaalsContact O-CG2 3.25Å; E297-V301 WeakPolarHBondContact O-CG2 3.41Å; E297-V301 PolarHBondContact O-N 2.83Å; Y298-V301 PolarHBondContact O-N 2.87Å; F299-V301 VanDerWaalsContact C-N 3.31Å; F299-V301 PolarHBondContact O-N 3Å; V301-A303 PolarHBondContact O-N 2.61Å; V301-T304 PolarHBondContact O-N 3.03Å; V301-L305 HydrophobicContact CG1-CD1 3.98Å; V301-L305 PolarHBondContact O-N 2.87Å; V301-P343 HydrophobicContact CG2-CB 4.18Å; V301-L345 HydrophobicContact CG1-CB 4.44Å; V301-L345 HydrophobicContact CG2-CB 4.42Å; V301-A346 HydrophobicContact CG1-CB 3.92Å; V301-A346 HydrophobicContact CG2-CB 4.09Å; V301-E349 HydrophobicContact CG1-CB 3.79Å; V301-E349 HydrophobicContact CG1-CG 4.06Å
302	A	98.8	Very high	96.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.2	-44.5	-173.7	0	0	0	0	0	111.7	V201 Y298 Q306	V201-A302 HydrophobicContact CG1-CB 3.96Å; V201-A302 HydrophobicContact CG2-CB 4.16Å; Y298-A302 HydrophobicContact CD1-CB 4.39Å; Y298-A302 HydrophobicContact CE1-CB 3.91Å; Y298-A302 HydrophobicContact CE2-CB 4.11Å; Y298-A302 WeakPolarHBondContact O-CB 3.26Å; Y298-A302 PolarHBondContact O-N 2.86Å; A302-Q306 VanDerWaalsContact O-CG 3.3Å; A302-Q306 WeakPolarHBondContact O-CG 3.49Å; A302-Q306 PolarHBondContact O-N 2.69Å; A302-Q306 PolarHBondContact O-NE2 2.95Å
303	A	98.8	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-41.9	177	0	0	0	0	0	111.7	L199 V201 A224 W245 F299 V301 D307	L199-A303 WeakPolarHBondContact CD1-O 3.4Å; V201-A303 HydrophobicContact CG2-CB 4.16Å; A224-A303 HydrophobicContact CB-CB 3.5Å; A224-A303 VanDerWaalsContact CB-CB 3.5Å; W245-A303 HydrophobicContact CD2-CB 3.65Å; W245-A303 HydrophobicContact CE3-CB 4.04Å; W245-A303 HydrophobicContact CG-CB 4.01Å; W245-A303 HydrophobicContact CH2-CB 4.31Å; W245-A303 HydrophobicContact CZ2-CB 3.94Å; W245-A303 WeakPolarHBondContact CZ2-O 3.5Å; W245-A303 HydrophobicContact CZ3-CB 4.33Å; F299-A303 WeakPolarHBondContact O-CB 3.42Å; F299-A303 PolarHBondContact O-N 2.8Å; V301-A303 PolarHBondContact O-N 2.61Å; A303-D307 PolarHBondContact O-N 3.08Å; A303-D307 VanDerWaalsContact O-N 3.14Å
304	T	98.8	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.2	-46.7	-178.4	-61.1	0	0	0	0	112.3	L86 Y158 W245 V300 V301 Q306 D307 I308	L86-T304 HydrophobicContact CD1-CG2 3.85Å; L86-T304 HydrophobicContact CD2-CG2 4.28Å; L86-T304 HydrophobicContact CG-CG2 4.11Å; Y158-T304 HydrophobicContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-OG1 3.25Å; Y158-T304 WeakPolarHBondContact CD1-OG1 3.48Å; Y158-T304 HydrophobicContact CD2-CG2 3.96Å; Y158-T304 HydrophobicContact CE1-CG2 3.97Å; Y158-T304 HydrophobicContact CE2-CG2 4.44Å; Y158-T304 HydrophobicContact CG-CG2 3.46Å; Y158-T304 VanDerWaalsContact CG-CG2 3.46Å; W245-T304 PolarHBondContact NE1-OG1 3.14Å; V300-T304 WeakPolarHBondContact O-CB 3.37Å; V300-T304 PolarHBondContact O-N 2.76Å; V300-T304 VanDerWaalsContact O-N 3.09Å; V300-T304 PolarHBondContact O-OG1 3.02Å; V301-T304 PolarHBondContact O-N 3.03Å; T304-Q306 VanDerWaalsContact C-N 3.35Å; T304-Q306 PolarHBondContact O-N 3.21Å; T304-D307 PolarHBondContact O-N 3.47Å; T304-D307 VanDerWaalsContact O-N 3.16Å; T304-I308 HydrophobicContact CG2-CD1 3.71Å; T304-I308 HydrophobicContact CG2-CG1 4.26Å; T304-I308 VanDerWaalsContact O-CG1 3.29Å; T304-I308 WeakPolarHBondContact O-CG1 3.37Å; T304-I308 PolarHBondContact O-N 2.92Å
305	L	98.8	Very high	95.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.9	-38.9	-179.1	-73.6	175.8	0	0	0	112.3	V301 D307 I308 I309 I336 A346 E349 L350 I353 F373	V301-L305 HydrophobicContact CG1-CD1 3.98Å; V301-L305 PolarHBondContact O-N 2.87Å; L305-D307 VanDerWaalsContact C-N 3.34Å; L305-D307 PolarHBondContact O-N 3.44Å; L305-I308 HydrophobicContact CD2-CD1 4.48Å; L305-I308 PolarHBondContact O-N 3.48Å; L305-I309 WeakPolarHBondContact O-CB 3.43Å; L305-I309 VanDerWaalsContact O-CG1 3.3Å; L305-I309 WeakPolarHBondContact O-CG1 3.36Å; L305-I309 PolarHBondContact O-N 3.46Å; L305-I336 HydrophobicContact CD2-CD1 3.59Å; L305-A346 HydrophobicContact CD1-CB 4.16Å; L305-A346 WeakPolarHBondContact CD1-O 3.45Å; L305-E349 HydrophobicContact CD1-CB 3.74Å; L305-E349 HydrophobicContact CD1-CG 3.56Å; L305-L350 HydrophobicContact CD1-CB 4.13Å; L305-L350 HydrophobicContact CD2-CD1 4.43Å; L305-I353 HydrophobicContact CB-CD1 4.01Å; L305-F373 HydrophobicContact CD2-CZ 4.38Å
306	Q	98.6	Very high	94	Very high	52 Å²	52	22.6 Å²	22.6	24%	0.243	11%	0.108	C	C	.	.	H	α-helix	trans	-59.4	-44.2	172.1	-73.6	177.2	81	0	0	111.7	L199 P200 A302 T304 I309 R310	L199-Q306 HydrophobicContact CD1-CB 3.92Å; L199-Q306 HydrophobicContact CD2-CB 4.46Å; P200-Q306 PolarHBondContact O-NE2 3.44Å; A302-Q306 VanDerWaalsContact O-CG 3.3Å; A302-Q306 WeakPolarHBondContact O-CG 3.49Å; A302-Q306 PolarHBondContact O-N 2.69Å; A302-Q306 PolarHBondContact O-NE2 2.95Å; T304-Q306 VanDerWaalsContact C-N 3.35Å; T304-Q306 PolarHBondContact O-N 3.21Å; Q306-I309 PolarHBondContact O-N 2.84Å; Q306-R310 VanDerWaalsContact O-CB 3.27Å; Q306-R310 WeakPolarHBondContact O-CB 3.37Å; Q306-R310 PolarHBondContact O-N 3.22Å
307	D	98.6	Very high	92.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.5	-39.5	178.2	-166.6	48.8	0	0	0	113	Y158 L199 R243 W245 A303 T304 L305 R310 R311	Y158-D307 HydrophobicContact CE1-CB 4.47Å; Y158-D307 PolarHBondContact OH-OD2 3.46Å; L199-D307 HydrophobicContact CD1-CB 4.08Å; R243-D307 IonicContact CZ-OD2 2.69Å; R243-D307 VanDerWaalsContact NH1-CG 3.28Å; R243-D307 IonicContact NH1-OD1 3.45Å; R243-D307 PolarHBondContact NH1-OD1 2.91Å; R243-D307 IonicContact NH1-OD2 3.56Å; R243-D307 PolarHBondContact NH1-OD2 3.31Å; W245-D307 HydrophobicContact CH2-CB 4.06Å; W245-D307 HydrophobicContact CZ2-CB 3.99Å; A303-D307 PolarHBondContact O-N 3.08Å; A303-D307 VanDerWaalsContact O-N 3.14Å; T304-D307 PolarHBondContact O-N 3.47Å; T304-D307 VanDerWaalsContact O-N 3.16Å; L305-D307 VanDerWaalsContact C-N 3.34Å; L305-D307 PolarHBondContact O-N 3.44Å; D307-R310 IonicContact OD1-CZ 3.32Å; D307-R310 IonicContact OD1-NE 3.32Å; D307-R310 PolarHBondContact OD1-NE 2.87Å; D307-R310 IonicContact OD1-NH2 2.9Å; D307-R310 PolarHBondContact OD1-NH2 3.2Å; D307-R311 WeakPolarHBondContact O-CB 3.31Å; D307-R311 PolarHBondContact O-N 2.95Å; D307-R311 IonicContact OD2-NH2 2.81Å; D307-R311 PolarHBondContact OD2-NH2 3.47Å
308	I	98.3	Very high	90.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-49.8	175	-70.2	172.5	0	0	0	110.4	Y84 T304 L305 R310 R311 F312 F330 V334 I336	Y84-I308 HydrophobicContact CD1-CD1 3.74Å; Y84-I308 HydrophobicContact CD1-CG1 3.66Å; Y84-I308 HydrophobicContact CD2-CD1 3.81Å; Y84-I308 HydrophobicContact CD2-CG1 4.06Å; Y84-I308 HydrophobicContact CD2-CG2 4.3Å; Y84-I308 HydrophobicContact CE1-CD1 4.23Å; Y84-I308 HydrophobicContact CE1-CG1 3.65Å; Y84-I308 HydrophobicContact CE2-CD1 4.29Å; Y84-I308 HydrophobicContact CE2-CG1 4.04Å; Y84-I308 HydrophobicContact CE2-CG2 3.89Å; Y84-I308 HydrophobicContact CG-CD1 3.49Å; Y84-I308 VanDerWaalsContact CG-CD1 3.49Å; Y84-I308 HydrophobicContact CG-CG1 3.86Å; T304-I308 HydrophobicContact CG2-CD1 3.71Å; T304-I308 HydrophobicContact CG2-CG1 4.26Å; T304-I308 VanDerWaalsContact O-CG1 3.29Å; T304-I308 WeakPolarHBondContact O-CG1 3.37Å; T304-I308 PolarHBondContact O-N 2.92Å; L305-I308 HydrophobicContact CD2-CD1 4.48Å; L305-I308 PolarHBondContact O-N 3.48Å; I308-R310 PolarHBondContact O-N 3.36Å; I308-R311 PolarHBondContact O-N 2.56Å; I308-F312 WeakPolarHBondContact O-CB 3.45Å; I308-F312 PolarHBondContact O-N 3.31Å; I308-F330 HydrophobicContact CG2-CE2 4.34Å; I308-F330 HydrophobicContact CG2-CZ 4.05Å; I308-V334 HydrophobicContact CG2-CG1 3.73Å; I308-V334 HydrophobicContact CG2-CG2 4.08Å; I308-I336 HydrophobicContact CD1-CD1 3.9Å; I308-I336 HydrophobicContact CD1-CG1 4.21Å
309	I	96.3	Very high	88.1	Confident	9 Å²	9	31.4 Å²	31.4	5%	0.046	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-42.3	-178.9	-70.2	170.1	0	0	0	110.6	L305 Q306 R311 F312 K313 F327 F330 L350 I353	L305-I309 WeakPolarHBondContact O-CB 3.43Å; L305-I309 VanDerWaalsContact O-CG1 3.3Å; L305-I309 WeakPolarHBondContact O-CG1 3.36Å; L305-I309 PolarHBondContact O-N 3.46Å; Q306-I309 PolarHBondContact O-N 2.84Å; I309-R311 VanDerWaalsContact C-N 3.32Å; I309-R311 PolarHBondContact O-N 2.78Å; I309-F312 PolarHBondContact O-N 2.82Å; I309-K313 HydrophobicContact CG2-CD 4.19Å; I309-K313 HydrophobicContact CG2-CG 4.44Å; I309-K313 WeakPolarHBondContact O-CB 3.23Å; I309-K313 WeakPolarHBondContact O-CG 3.38Å; I309-K313 PolarHBondContact O-N 3.43Å; I309-F327 HydrophobicContact CG2-CE1 4.16Å; I309-F327 HydrophobicContact CG2-CZ 4.31Å; I309-F330 HydrophobicContact CG1-CE2 4.07Å; I309-F330 HydrophobicContact CG1-CZ 4.24Å; I309-L350 HydrophobicContact CD1-CD1 4.09Å; I309-I353 HydrophobicContact CD1-CB 4.16Å; I309-I353 HydrophobicContact CD1-CD1 3.83Å; I309-I353 HydrophobicContact CD1-CG2 3.49Å; I309-I353 VanDerWaalsContact CD1-CG2 3.49Å
310	R	94.9	Very high	85.8	Confident	95 Å²	95	36.8 Å²	36.8	36%	0.358	20%	0.199	S	C	.	.	H	α-helix	trans	-56.7	-45.8	173.5	-177.6	-172.6	67.2	80.8	-2.3	111.5	Q306 D307 I308 K313 A314	Q306-R310 VanDerWaalsContact O-CB 3.27Å; Q306-R310 WeakPolarHBondContact O-CB 3.37Å; Q306-R310 PolarHBondContact O-N 3.22Å; D307-R310 IonicContact OD1-CZ 3.32Å; D307-R310 IonicContact OD1-NE 3.32Å; D307-R310 PolarHBondContact OD1-NE 2.87Å; D307-R310 IonicContact OD1-NH2 2.9Å; D307-R310 PolarHBondContact OD1-NH2 3.2Å; I308-R310 PolarHBondContact O-N 3.36Å; R310-K313 PolarHBondContact O-N 3.44Å; R310-A314 WeakPolarHBondContact O-CB 3.39Å; R310-A314 PolarHBondContact O-N 3.45Å
311	R	93.2	Very high	83.5	Confident	38 Å²	38	45.4 Å²	45.4	14%	0.143	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-39.5	178.3	-168.2	177.5	-57.5	160.2	4.6	112.4	Y156 Y158 D307 I308 I309 A314 S315	Y156-R311 VanDerWaalsContact CD1-NH1 3.27Å; Y156-R311 VanDerWaalsContact CE2-NH1 3.3Å; Y158-R311 PolarHBondContact OH-NH2 3.16Å; D307-R311 WeakPolarHBondContact O-CB 3.31Å; D307-R311 PolarHBondContact O-N 2.95Å; D307-R311 IonicContact OD2-NH2 2.81Å; D307-R311 PolarHBondContact OD2-NH2 3.47Å; I308-R311 PolarHBondContact O-N 2.56Å; I309-R311 VanDerWaalsContact C-N 3.32Å; I309-R311 PolarHBondContact O-N 2.78Å; R311-A314 PolarHBondContact O-N 2.65Å; R311-S315 PolarHBondContact O-N 3.15Å
312	F	93	Very high	80.8	Confident	7 Å²	7	49 Å²	49	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-48.1	174.4	173.6	-101	0	0	0	111.3	I308 I309 A314 S315 V326 F327 F330 Q333 V334	I308-F312 WeakPolarHBondContact O-CB 3.45Å; I308-F312 PolarHBondContact O-N 3.31Å; I309-F312 PolarHBondContact O-N 2.82Å; F312-A314 VanDerWaalsContact C-N 3.29Å; F312-A314 PolarHBondContact O-N 2.91Å; F312-S315 VanDerWaalsContact O-CB 3.25Å; F312-S315 WeakPolarHBondContact O-CB 3.5Å; F312-S315 PolarHBondContact O-N 3.4Å; F312-S315 VanDerWaalsContact O-N 3.09Å; F312-S315 PolarHBondContact O-OG 3.35Å; F312-V326 HydrophobicContact CE1-CG1 4.08Å; F312-V326 WeakPolarHBondContact CE1-O 3.3Å; F312-V326 VanDerWaalsContact CZ-O 3.28Å; F312-V326 WeakPolarHBondContact CZ-O 3.5Å; F312-F327 HydrophobicContact CD1-CD1 4.17Å; F312-F327 HydrophobicContact CD1-CE1 4.12Å; F312-F327 AromaticContact CE1-CD1 3.81Å; F312-F327 HydrophobicContact CE1-CD1 3.81Å; F312-F327 HydrophobicContact CE1-CE1 4.16Å; F312-F327 HydrophobicContact CE1-CG 4.49Å; F312-F330 HydrophobicContact CB-CD2 4.26Å; F312-F330 HydrophobicContact CB-CE2 4.16Å; F312-F330 AromaticContact CD1-CD2 3.73Å; F312-F330 HydrophobicContact CD1-CD2 3.73Å; F312-F330 HydrophobicContact CD1-CE2 4.29Å; F312-F330 AromaticContact CD2-CD2 3.89Å; F312-F330 HydrophobicContact CD2-CD2 3.89Å; F312-F330 HydrophobicContact CE1-CB 4.46Å; F312-F330 AromaticContact CE1-CD2 3.96Å; F312-F330 HydrophobicContact CE1-CD2 3.96Å; F312-F330 HydrophobicContact CE2-CB 4.27Å; F312-F330 HydrophobicContact CE2-CD2 4.13Å; F312-F330 AromaticContact CG-CD2 3.68Å; F312-F330 HydrophobicContact CG-CD2 3.68Å; F312-F330 HydrophobicContact CG-CE2 4.08Å; F312-F330 HydrophobicContact CZ-CB 4.08Å; F312-F330 HydrophobicContact CZ-CD2 4.16Å; F312-Q333 HydrophobicContact CD2-CB 3.91Å; F312-Q333 HydrophobicContact CD2-CG 4.47Å; F312-Q333 HydrophobicContact CE2-CB 3.89Å; F312-Q333 HydrophobicContact CE2-CG 4.09Å; F312-V334 HydrophobicContact CD2-CG2 4.33Å
313	K	89.1	Confident	77.9	Confident	86 Å²	86	54.8 Å²	54.8	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-32.6	177.2	-73.4	-176.9	172.2	-175	0	113.2	I309 R310 S315 F327 E358	I309-K313 HydrophobicContact CG2-CD 4.19Å; I309-K313 HydrophobicContact CG2-CG 4.44Å; I309-K313 WeakPolarHBondContact O-CB 3.23Å; I309-K313 WeakPolarHBondContact O-CG 3.38Å; I309-K313 PolarHBondContact O-N 3.43Å; R310-K313 PolarHBondContact O-N 3.44Å; K313-S315 VanDerWaalsContact C-N 3.26Å; K313-S315 PolarHBondContact O-N 2.81Å; K313-F327 VanDerWaalsContact CE-CZ 3.47Å; K313-E358 IonicContact NZ-OE1 3.44Å; K313-E358 PolarHBondContact NZ-OE1 3.22Å; K313-E358 IonicContact NZ-OE2 3.55Å; K313-E358 PolarHBondContact NZ-OE2 3.22Å
314	A	85.6	Confident	75.6	Confident	56 Å²	56	57 Å²	57	46%	0.463	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.3	176.6	0	0	0	0	0	114.3	R310 R311 F312	R310-A314 WeakPolarHBondContact O-CB 3.39Å; R310-A314 PolarHBondContact O-N 3.45Å; R311-A314 PolarHBondContact O-N 2.65Å; F312-A314 VanDerWaalsContact C-N 3.29Å; F312-A314 PolarHBondContact O-N 2.91Å
315	S	75.4	Confident	73.7	Confident	9 Å²	9	60 Å²	60	6%	0.063	36%	0.357	C	S	.	.	S	Bend	trans	-76.8	162.5	177.6	77.6	0	0	0	0	112	R311 F312 K313 F317 G318	R311-S315 PolarHBondContact O-N 3.15Å; F312-S315 VanDerWaalsContact O-CB 3.25Å; F312-S315 WeakPolarHBondContact O-CB 3.5Å; F312-S315 PolarHBondContact O-N 3.4Å; F312-S315 VanDerWaalsContact O-N 3.09Å; F312-S315 PolarHBondContact O-OG 3.35Å; K313-S315 VanDerWaalsContact C-N 3.26Å; K313-S315 PolarHBondContact O-N 2.81Å; S315-F317 PolarHBondContact O-N 2.91Å; S315-G318 PolarHBondContact O-N 3.05Å
316	K	66.9	Low	72.5	Confident	118 Å²	118	63 Å²	63	51%	0.513	38%	0.375	S	S	.	.	H	α-helix	trans	-51.9	-29.3	177.8	-69.1	177	177.4	169.3	0	112.9	D77 S319 T320	D77-K316 PolarHBondContact O-NZ 2.86Å; K316-S319 PolarHBondContact O-N 2.96Å; K316-S319 PolarHBondContact O-OG 3.09Å; K316-T320 PolarHBondContact O-OG1 3.21Å
317	F	59.8	Low	72.1	Confident	68 Å²	68	60.9 Å²	60.9	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-72.2	-28.3	178.5	-63.2	-78.5	0	0	0	114	C79 S315 S319 Q333	C79-F317 HydrophobicContact CB-CE2 4.44Å; S315-F317 PolarHBondContact O-N 2.91Å; F317-S319 VanDerWaalsContact C-N 3.26Å; F317-S319 PolarHBondContact O-N 3.45Å; F317-Q333 HydrophobicContact CD2-CG 4.22Å; F317-Q333 HydrophobicContact CE2-CG 4.38Å
318	G	56.3	Low	71.6	Confident	29 Å²	29	64.4 Å²	64.4	30%	0.299	38%	0.383	S	S	.	.	H	α-helix	trans	-72.9	-18.9	175.3	0	0	0	0	0	113.7	S315	S315-G318 PolarHBondContact O-N 3.05Å
319	S	53.5	Low	71.2	Confident	90 Å²	90	65.2 Å²	65.2	63%	0.629	39%	0.39	S	S	*	.	H	α-helix	trans	-104.1	-17.8	-171.5	41.6	0	0	0	0	116.1	K316 F317	K316-S319 PolarHBondContact O-N 2.96Å; K316-S319 PolarHBondContact O-OG 3.09Å; F317-S319 VanDerWaalsContact C-N 3.26Å; F317-S319 PolarHBondContact O-N 3.45Å
320	T	50.7	Low	71.1	Confident	114 Å²	114	64.8 Å²	64.8	70%	0.699	39%	0.388	S	S	*	.	H	α-helix	trans	-133.2	11.7	-166.3	57.1	0	0	0	0	117.2	K316	K316-T320 PolarHBondContact O-OG1 3.21Å
321	R	48.9	Very low	71.2	Confident	183 Å²	183	60.7 Å²	60.7	69%	0.691	37%	0.374	S	S	*	.			trans	-109.1	117.5	170.9	-75.9	-167.6	-179.4	-168.1	2.6	111.5
322	G	41.9	Very low	71.2	Confident	74 Å²	74	64 Å²	64	76%	0.763	40%	0.395	S	S	*	.			trans	-70.3	140.2	171.5	0	0	0	0	0	112.3	G324	G322-G324 VanDerWaalsContact C-N 3.32Å; G322-G324 PolarHBondContact O-N 3.29Å
323	A	38.7	Very low	71.2	Confident	122 Å²	122	64.9 Å²	64.9	100%	1.008	40%	0.399	S	S	*	.	S	Bend	trans	54.2	18.3	154	0	0	0	0	0	120.2
324	G	51.1	Low	71.7	Confident	46 Å²	46	60.9 Å²	60.9	47%	0.474	38%	0.382	S	S	.	.	S	Bend	trans	-113.3	153.8	158	0	0	0	0	0	110.4	G322 V326	G322-G324 VanDerWaalsContact C-N 3.32Å; G322-G324 PolarHBondContact O-N 3.29Å; G324-V326 PolarHBondContact O-N 2.82Å
325	T	59.3	Low	72.3	Confident	65 Å²	65	58.4 Å²	58.4	40%	0.399	36%	0.361	S	S	.	.			trans	-60.9	115.7	-179.3	46	0	0	0	0	109.2	F327 D328 L360	T325-F327 PolarHBondContact O-N 2.81Å; T325-D328 PolarHBondContact O-N 3.19Å; T325-L360 HydrophobicContact CG2-CD2 3.63Å
326	V	73.7	Confident	73.4	Confident	61 Å²	61	58 Å²	58	37%	0.37	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-45.7	-23.7	-174.7	174.2	0	0	0	0	113.5	F312 G324	F312-V326 HydrophobicContact CE1-CG1 4.08Å; F312-V326 WeakPolarHBondContact CE1-O 3.3Å; F312-V326 VanDerWaalsContact CZ-O 3.28Å; F312-V326 WeakPolarHBondContact CZ-O 3.5Å; G324-V326 PolarHBondContact O-N 2.82Å
327	F	88.4	Confident	74.9	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.035	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-83.5	-3.8	-178.8	-65.1	-78.4	0	0	0	116.6	I309 F312 K313 T325 A329 F330 F354 E358 L360 L368	I309-F327 HydrophobicContact CG2-CE1 4.16Å; I309-F327 HydrophobicContact CG2-CZ 4.31Å; F312-F327 HydrophobicContact CD1-CD1 4.17Å; F312-F327 HydrophobicContact CD1-CE1 4.12Å; F312-F327 AromaticContact CE1-CD1 3.81Å; F312-F327 HydrophobicContact CE1-CD1 3.81Å; F312-F327 HydrophobicContact CE1-CE1 4.16Å; F312-F327 HydrophobicContact CE1-CG 4.49Å; K313-F327 VanDerWaalsContact CE-CZ 3.47Å; T325-F327 PolarHBondContact O-N 2.81Å; F327-A329 PolarHBondContact O-N 3.42Å; F327-F330 HydrophobicContact CB-CB 4.39Å; F327-F330 HydrophobicContact CD1-CB 4.37Å; F327-F330 AromaticContact CD1-CD2 3.97Å; F327-F330 HydrophobicContact CD1-CD2 3.97Å; F327-F330 HydrophobicContact CD1-CG 4.39Å; F327-F330 HydrophobicContact CE1-CD2 4.43Å; F327-F330 WeakPolarHBondContact O-CB 3.28Å; F327-F330 PolarHBondContact O-N 3.47Å; F327-F354 HydrophobicContact CD1-CD1 4.35Å; F327-F354 AromaticContact CD1-CE1 3.5Å; F327-F354 HydrophobicContact CD1-CE1 3.5Å; F327-F354 VanDerWaalsContact CD1-CE1 3.5Å; F327-F354 HydrophobicContact CD1-CZ 4.11Å; F327-F354 HydrophobicContact CE1-CD1 4.42Å; F327-F354 AromaticContact CE1-CE1 3.7Å; F327-F354 HydrophobicContact CE1-CE1 3.7Å; F327-F354 HydrophobicContact CG-CE1 4.03Å; F327-F354 HydrophobicContact CZ-CE1 4.38Å; F327-E358 HydrophobicContact CD2-CB 4.47Å; F327-E358 HydrophobicContact CE2-CB 3.81Å; F327-E358 HydrophobicContact CE2-CG 3.57Å; F327-E358 WeakPolarHBondContact CE2-OE2 3.42Å; F327-E358 HydrophobicContact CZ-CB 4.35Å; F327-E358 VanDerWaalsContact CZ-CD 3.49Å; F327-E358 HydrophobicContact CZ-CG 3.6Å; F327-L360 HydrophobicContact CB-CD1 4.15Å; F327-L360 HydrophobicContact CD2-CD1 4.27Å; F327-L360 HydrophobicContact CG-CD1 4.39Å; F327-L368 HydrophobicContact CB-CD1 3.94Å
328	D	89.4	Confident	76.8	Confident	74 Å²	74	49.2 Å²	49.2	40%	0.396	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-57.8	-35.7	176.3	-78.4	-27.2	0	0	0	112.5	T325 F330 K364	T325-D328 PolarHBondContact O-N 3.19Å; D328-F330 VanDerWaalsContact C-N 3.28Å; D328-F330 PolarHBondContact O-N 3.11Å; D328-K364 WeakPolarHBondContact OD1-CE 3.48Å; D328-K364 IonicContact OD1-NZ 3.01Å; D328-K364 PolarHBondContact OD1-NZ 2.92Å
329	A	89.5	Confident	78.8	Confident	17 Å²	17	47.8 Å²	47.8	14%	0.14	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-85	5.3	176.6	0	0	0	0	0	113.5	F327 D332 Q333	F327-A329 PolarHBondContact O-N 3.42Å; A329-D332 PolarHBondContact O-N 2.85Å; A329-Q333 WeakPolarHBondContact O-CG 3.5Å; A329-Q333 PolarHBondContact O-N 3.36Å
330	F	94.6	Very high	80.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-49.3	-176.2	-171.9	-97.4	0	0	0	112.3	I308 I309 F312 F327 D328 D332 Q333 V334 L350 F354 T372	I308-F330 HydrophobicContact CG2-CE2 4.34Å; I308-F330 HydrophobicContact CG2-CZ 4.05Å; I309-F330 HydrophobicContact CG1-CE2 4.07Å; I309-F330 HydrophobicContact CG1-CZ 4.24Å; F312-F330 HydrophobicContact CB-CD2 4.26Å; F312-F330 HydrophobicContact CB-CE2 4.16Å; F312-F330 AromaticContact CD1-CD2 3.73Å; F312-F330 HydrophobicContact CD1-CD2 3.73Å; F312-F330 HydrophobicContact CD1-CE2 4.29Å; F312-F330 AromaticContact CD2-CD2 3.89Å; F312-F330 HydrophobicContact CD2-CD2 3.89Å; F312-F330 HydrophobicContact CE1-CB 4.46Å; F312-F330 AromaticContact CE1-CD2 3.96Å; F312-F330 HydrophobicContact CE1-CD2 3.96Å; F312-F330 HydrophobicContact CE2-CB 4.27Å; F312-F330 HydrophobicContact CE2-CD2 4.13Å; F312-F330 AromaticContact CG-CD2 3.68Å; F312-F330 HydrophobicContact CG-CD2 3.68Å; F312-F330 HydrophobicContact CG-CE2 4.08Å; F312-F330 HydrophobicContact CZ-CB 4.08Å; F312-F330 HydrophobicContact CZ-CD2 4.16Å; F327-F330 HydrophobicContact CB-CB 4.39Å; F327-F330 HydrophobicContact CD1-CB 4.37Å; F327-F330 AromaticContact CD1-CD2 3.97Å; F327-F330 HydrophobicContact CD1-CD2 3.97Å; F327-F330 HydrophobicContact CD1-CG 4.39Å; F327-F330 HydrophobicContact CE1-CD2 4.43Å; F327-F330 WeakPolarHBondContact O-CB 3.28Å; F327-F330 PolarHBondContact O-N 3.47Å; D328-F330 VanDerWaalsContact C-N 3.28Å; D328-F330 PolarHBondContact O-N 3.11Å; F330-D332 PolarHBondContact O-N 3.29Å; F330-Q333 CarbonylContact O-C 3.6Å; F330-Q333 PolarHBondContact O-N 3.06Å; F330-V334 HydrophobicContact CD1-CB 4.27Å; F330-V334 HydrophobicContact CD2-CG2 4.01Å; F330-V334 HydrophobicContact CE1-CB 4.07Å; F330-V334 HydrophobicContact CE1-CG1 3.97Å; F330-V334 HydrophobicContact CE1-CG2 4.36Å; F330-V334 HydrophobicContact CE2-CB 4.39Å; F330-V334 HydrophobicContact CE2-CG2 3.79Å; F330-V334 HydrophobicContact CG-CG2 4.4Å; F330-V334 HydrophobicContact CZ-CB 4.13Å; F330-V334 HydrophobicContact CZ-CG1 3.92Å; F330-V334 HydrophobicContact CZ-CG2 3.99Å; F330-V334 WeakPolarHBondContact O-CB 3.4Å; F330-V334 PolarHBondContact O-N 3.04Å; F330-L350 HydrophobicContact CE1-CD1 4.36Å; F330-L350 HydrophobicContact CE1-CD2 4.17Å; F330-L350 HydrophobicContact CZ-CD1 4.38Å; F330-F354 AromaticContact CD1-CZ 3.86Å; F330-F354 HydrophobicContact CD1-CZ 3.86Å; F330-F354 AromaticContact CE1-CZ 3.94Å; F330-F354 HydrophobicContact CE1-CZ 3.94Å; F330-F354 HydrophobicContact CG-CZ 4.15Å; F330-F354 HydrophobicContact CZ-CZ 4.32Å; F330-T372 HydrophobicContact CD1-CG2 4.31Å; F330-T372 WeakPolarHBondContact CD1-OG1 3.28Å; F330-T372 HydrophobicContact CE1-CG2 3.84Å
331	P	96.3	Very high	83	Confident	10 Å²	10	38.7 Å²	38.7	7%	0.065	25%	0.245	C	C	.	.	H	α-helix	trans	-68.4	-21.2	178.7	-18.1	33.5	0	0	0	113.6	K81 Q333 L368 K371	K81-P331 WeakPolarHBondContact CE-O 3.3Å; K81-P331 PolarHBondContact NZ-O 3.18Å; P331-Q333 VanDerWaalsContact C-N 3.28Å; P331-L368 HydrophobicContact CG-CB 4.47Å; P331-L368 HydrophobicContact CG-CD2 3.89Å; P331-K371 HydrophobicContact CB-CB 3.68Å; P331-K371 HydrophobicContact CG-CB 3.8Å; P331-K371 HydrophobicContact CG-CD 4.49Å
332	D	92.9	Very high	85.1	Confident	108 Å²	108	30.9 Å²	30.9	58%	0.578	22%	0.217	S	C	*	.	H	α-helix	trans	-78.2	-16.3	175.1	-60.9	-31.3	0	0	0	112.1	K81 A329 F330	K81-D332 WeakPolarHBondContact CB-O 3.22Å; K81-D332 WeakPolarHBondContact CD-O 3.15Å; K81-D332 WeakPolarHBondContact CG-O 3.3Å; A329-D332 PolarHBondContact O-N 2.85Å; F330-D332 PolarHBondContact O-N 3.29Å
333	Q	94.1	Very high	87.8	Confident	25 Å²	25	27.3 Å²	27.3	12%	0.117	18%	0.18	C	C	.	.	H	α-helix	trans	-115.6	-15.5	-178.3	-66.4	-63.3	-63.8	0	0	113.3	C79 R82 F312 F317 A329 F330 P331	C79-Q333 PolarHBondContact O-OE1 3.07Å; C79-Q333 PolarHBondContact SG-OE1 3.18Å; C79-Q333 VanDerWaalsContact SG-OE1 3.32Å; R82-Q333 PolarHBondContact N-O 2.98Å; F312-Q333 HydrophobicContact CD2-CB 3.91Å; F312-Q333 HydrophobicContact CD2-CG 4.47Å; F312-Q333 HydrophobicContact CE2-CB 3.89Å; F312-Q333 HydrophobicContact CE2-CG 4.09Å; F317-Q333 HydrophobicContact CD2-CG 4.22Å; F317-Q333 HydrophobicContact CE2-CG 4.38Å; A329-Q333 WeakPolarHBondContact O-CG 3.5Å; A329-Q333 PolarHBondContact O-N 3.36Å; F330-Q333 CarbonylContact O-C 3.6Å; F330-Q333 PolarHBondContact O-N 3.06Å; P331-Q333 VanDerWaalsContact C-N 3.28Å
334	V	98.2	Very high	90.6	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.7	-173.6	-179.3	0	0	0	0	109.5	Y84 I308 F312 F330 I336 T372	Y84-V334 HydrophobicContact CD2-CG1 3.82Å; Y84-V334 HydrophobicContact CE2-CB 4.46Å; Y84-V334 HydrophobicContact CE2-CG1 3.85Å; Y84-V334 HydrophobicContact CE2-CG2 4.32Å; I308-V334 HydrophobicContact CG2-CG1 3.73Å; I308-V334 HydrophobicContact CG2-CG2 4.08Å; F312-V334 HydrophobicContact CD2-CG2 4.33Å; F330-V334 HydrophobicContact CD1-CB 4.27Å; F330-V334 HydrophobicContact CD2-CG2 4.01Å; F330-V334 HydrophobicContact CE1-CB 4.07Å; F330-V334 HydrophobicContact CE1-CG1 3.97Å; F330-V334 HydrophobicContact CE1-CG2 4.36Å; F330-V334 HydrophobicContact CE2-CB 4.39Å; F330-V334 HydrophobicContact CE2-CG2 3.79Å; F330-V334 HydrophobicContact CG-CG2 4.4Å; F330-V334 HydrophobicContact CZ-CB 4.13Å; F330-V334 HydrophobicContact CZ-CG1 3.92Å; F330-V334 HydrophobicContact CZ-CG2 3.99Å; F330-V334 WeakPolarHBondContact O-CB 3.4Å; F330-V334 PolarHBondContact O-N 3.04Å; V334-I336 HydrophobicContact CG1-CD1 4.11Å; V334-I336 HydrophobicContact CG1-CG1 3.8Å; V334-T372 HydrophobicContact CB-CG2 4.47Å; V334-T372 HydrophobicContact CG1-CG2 3.9Å
335	A	98.8	Very high	92.9	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.033	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132	162.5	0	0	0	0	0	108.8	R82 Y84 W826	R82-A335 PolarHBondContact O-N 3.42Å; Y84-A335 PolarHBondContact N-O 2.71Å; A335-W826 HydrophobicContact CB-CB 4.1Å; A335-W826 HydrophobicContact CB-CG 4.2Å
336	I	98.9	Very high	94.8	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.9	178	-55.4	176.5	0	0	0	109.2	Y84 L86 L305 I308 V334 L338 T372 F373 A374	Y84-I336 HydrophobicContact CD2-CG1 4.43Å; Y84-I336 WeakPolarHBondContact O-CA 3.25Å; L86-I336 HydrophobicContact CD1-CG2 3.73Å; L86-I336 HydrophobicContact CD2-CG2 4Å; L86-I336 HydrophobicContact CG-CG2 4.4Å; L305-I336 HydrophobicContact CD2-CD1 3.59Å; I308-I336 HydrophobicContact CD1-CD1 3.9Å; I308-I336 HydrophobicContact CD1-CG1 4.21Å; V334-I336 HydrophobicContact CG1-CD1 4.11Å; V334-I336 HydrophobicContact CG1-CG1 3.8Å; I336-L338 HydrophobicContact CG2-CD2 4.32Å; I336-T372 HydrophobicContact CB-CG2 4.29Å; I336-T372 HydrophobicContact CD1-CG2 3.82Å; I336-T372 HydrophobicContact CG1-CG2 3.78Å; I336-T372 PolarHBondContact N-O 2.99Å; I336-F373 HydrophobicContact CB-CD1 3.69Å; I336-F373 HydrophobicContact CB-CE1 3.67Å; I336-F373 HydrophobicContact CD1-CE1 3.81Å; I336-F373 HydrophobicContact CD1-CZ 4.02Å; I336-F373 HydrophobicContact CG1-CE1 4.32Å; I336-F373 HydrophobicContact CG2-CD1 3.78Å; I336-F373 HydrophobicContact CG2-CE1 3.5Å; I336-F373 VanDerWaalsContact CG2-CE1 3.5Å; I336-F373 WeakPolarHBondContact O-CA 3.35Å; I336-A374 PolarHBondContact O-N 3.35Å
337	Q	98.9	Very high	96	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.3	175.6	-167.8	68.3	36.8	0	0	109.9	Y84 Y85 L86 A374 T376 W826	Y84-Q337 PolarHBondContact O-N 3.03Å; Y85-Q337 HydrophobicContact CD2-CB 3.79Å; Y85-Q337 HydrophobicContact CD2-CG 3.86Å; Y85-Q337 HydrophobicContact CE2-CB 4.25Å; Y85-Q337 HydrophobicContact CE2-CG 3.79Å; L86-Q337 PolarHBondContact N-O 3.12Å; Q337-A374 PolarHBondContact NE2-O 2.84Å; Q337-T376 PolarHBondContact NE2-OG1 3.43Å; Q337-W826 HydrophobicContact CB-CZ2 4.18Å; Q337-W826 HydrophobicContact CG-CZ2 4.19Å
338	L	98.8	Very high	96.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.4	173.5	-53.2	-179.7	0	0	0	109.2	I336 D340 P343 A346 I347 F373 A374 Y375 T376	I336-L338 HydrophobicContact CG2-CD2 4.32Å; L338-D340 PolarHBondContact O-N 2.83Å; L338-P343 HydrophobicContact CB-CG 3.97Å; L338-P343 HydrophobicContact CD2-CB 4.06Å; L338-P343 HydrophobicContact CD2-CG 3.85Å; L338-P343 HydrophobicContact CG-CG 4.49Å; L338-A346 HydrophobicContact CD2-CB 4.1Å; L338-I347 HydrophobicContact CD1-CD1 3.99Å; L338-I347 HydrophobicContact CD1-CG1 4.35Å; L338-F373 HydrophobicContact CD1-CD1 4.21Å; L338-F373 HydrophobicContact CD2-CD1 3.86Å; L338-F373 HydrophobicContact CD2-CE1 3.96Å; L338-F373 HydrophobicContact CG-CD1 4.07Å; L338-A374 PolarHBondContact N-O 3.45Å; L338-Y375 HydrophobicContact CB-CD2 4.49Å; L338-T376 PolarHBondContact O-N 3.35Å
339	N	97.5	Very high	96.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	95.3	175.8	-169.9	30.6	0	0	0	110.1	Y85 L86 S87 L137 H378	Y85-N339 HydrophobicContact CE1-CB 3.77Å; Y85-N339 PolarHBondContact OH-ND2 3.04Å; Y85-N339 PolarHBondContact OH-OD1 3.37Å; L86-N339 VanDerWaalsContact O-CB 3.24Å; L86-N339 WeakPolarHBondContact O-CB 3.33Å; L86-N339 PolarHBondContact O-N 3.07Å; S87-N339 PolarHBondContact OG-ND2 3.34Å; L137-N339 VanDerWaalsContact CD2-ND2 3.32Å; L137-N339 WeakPolarHBondContact CD2-ND2 3.28Å; N339-H378 PolarHBondContact OD1-NE2 2.92Å
340	D	95.9	Very high	97.4	Very high	13 Å²	13	8.7 Å²	8.7	7%	0.07	5%	0.046	C	C	.	.	S	Bend	trans	65.2	-169.3	-166.2	-139.8	-34.5	0	0	0	113.3	L137 L338 H342 P343 T376	L137-D340 HydrophobicContact CD1-CB 3.81Å; L338-D340 PolarHBondContact O-N 2.83Å; D340-H342 VanDerWaalsContact C-N 3.33Å; D340-P343 WeakPolarHBondContact O-CD 3.35Å; D340-T376 VanDerWaalsContact CA-O 3.28Å; D340-T376 WeakPolarHBondContact CA-O 3.48Å; D340-T376 PolarHBondContact N-O 3.11Å
341	T	96.8	Very high	97.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-79.6	-9.9	-178.8	55.5	0	0	0	0	114.6	A344 Y375 E386 M442 A443	T341-A344 WeakPolarHBondContact O-CB 3.43Å; T341-A344 PolarHBondContact O-N 3.35Å; T341-Y375 HydrophobicContact CG2-CE2 4.09Å; T341-E386 WeakPolarHBondContact CB-OE2 3.23Å; T341-E386 WeakPolarHBondContact OG1-CG 3.49Å; T341-E386 PolarHBondContact OG1-OE2 3.43Å; T341-M442 HydrophobicContact CG2-CB 4.21Å; T341-A443 HydrophobicContact CG2-CB 3.97Å
342	H	94.6	Very high	97.7	Very high	18 Å²	18	9.5 Å²	9.5	8%	0.083	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.9	-176.2	-42.5	127.1	0	0	0	113.9	L88 Y281 R293 E297 D340 A344 E386	L88-H342 HydrophobicContact CB-CB 4.37Å; L88-H342 HydrophobicContact CD1-CB 3.71Å; L88-H342 HydrophobicContact CD2-CB 4.13Å; L88-H342 HydrophobicContact CG-CB 4.27Å; Y281-H342 PolarHBondContact OH-CE1 3.24Å; Y281-H342 PolarHBondContact OH-NE2 3Å; R293-H342 PolarHBondContact NH2-CD2 3.33Å; R293-H342 PolarHBondContact NH2-NE2 3.22Å; E297-H342 WeakPolarHBondContact CB-O 3.34Å; E297-H342 HydrophobicContact CG-CB 4.49Å; E297-H342 VanDerWaalsContact CG-O 3.23Å; E297-H342 WeakPolarHBondContact CG-O 3.38Å; D340-H342 VanDerWaalsContact C-N 3.33Å; H342-A344 VanDerWaalsContact C-N 3.33Å; H342-A344 PolarHBondContact O-N 3.45Å; H342-E386 WeakPolarHBondContact CA-OE2 3.48Å; H342-E386 IonicContact CD2-OE1 3.49Å; H342-E386 PolarHBondContact CD2-OE1 3.21Å; H342-E386 IonicContact CD2-OE2 2.72Å; H342-E386 PolarHBondContact CD2-OE2 3.16Å; H342-E386 PolarHBondContact N-OE2 3.05Å; H342-E386 VanDerWaalsContact N-OE2 3.17Å
343	P	97.8	Very high	98	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	18.1	174.3	36.8	-35.3	0	0	0	114	L86 V301 L338 D340 L345 A346	L86-P343 HydrophobicContact CB-CB 3.86Å; L86-P343 HydrophobicContact CB-CG 4.13Å; L86-P343 HydrophobicContact CD2-CB 4.24Å; V301-P343 HydrophobicContact CG2-CB 4.18Å; L338-P343 HydrophobicContact CB-CG 3.97Å; L338-P343 HydrophobicContact CD2-CB 4.06Å; L338-P343 HydrophobicContact CD2-CG 3.85Å; L338-P343 HydrophobicContact CG-CG 4.49Å; D340-P343 WeakPolarHBondContact O-CD 3.35Å; P343-L345 PolarHBondContact O-N 3.02Å; P343-L345 VanDerWaalsContact O-N 3.13Å; P343-A346 WeakPolarHBondContact O-CB 3.1Å; P343-A346 PolarHBondContact O-N 3.38Å
344	A	98.4	Very high	98.1	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.5	-175.8	0	0	0	0	0	113.8	T341 H342 A346 I347 P348 M442 C446	T341-A344 WeakPolarHBondContact O-CB 3.43Å; T341-A344 PolarHBondContact O-N 3.35Å; H342-A344 VanDerWaalsContact C-N 3.33Å; H342-A344 PolarHBondContact O-N 3.45Å; A344-A346 PolarHBondContact O-N 2.9Å; A344-I347 PolarHBondContact O-N 2.93Å; A344-I347 VanDerWaalsContact O-N 3.13Å; A344-P348 WeakPolarHBondContact O-CD 3.29Å; A344-M442 HydrophobicContact CB-CB 4.16Å; A344-M442 HydrophobicContact CB-CE 3.67Å; A344-C446 WeakPolarHBondContact CB-SG 3.43Å
345	L	98.8	Very high	98.1	Very high	2 Å²	2	4.8 Å²	4.8	1%	0.01	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-11.8	175.1	-70.2	174.1	0	0	0	113.4	L294 E297 Y298 V301 P343 I347 P348 E349 L397 M442	L294-L345 HydrophobicContact CD1-CD1 3.8Å; E297-L345 HydrophobicContact CB-CD1 4.45Å; Y298-L345 HydrophobicContact CD2-CB 4.39Å; Y298-L345 HydrophobicContact CD2-CD1 4.19Å; Y298-L345 HydrophobicContact CG-CD1 4.49Å; V301-L345 HydrophobicContact CG1-CB 4.44Å; V301-L345 HydrophobicContact CG2-CB 4.42Å; P343-L345 PolarHBondContact O-N 3.02Å; P343-L345 VanDerWaalsContact O-N 3.13Å; L345-I347 PolarHBondContact O-N 3.01Å; L345-P348 HydrophobicContact CD2-CG 4.17Å; L345-P348 VanDerWaalsContact O-CD 3.26Å; L345-P348 WeakPolarHBondContact O-CD 3.44Å; L345-P348 WeakPolarHBondContact O-CG 3.33Å; L345-E349 VanDerWaalsContact O-CB 3.26Å; L345-E349 WeakPolarHBondContact O-CB 3.09Å; L345-E349 PolarHBondContact O-N 3.18Å; L345-L397 HydrophobicContact CD1-CD1 3.74Å; L345-L397 HydrophobicContact CD2-CD1 4.3Å; L345-M442 HydrophobicContact CD2-CE 4.07Å; L345-M442 HydrophobicContact CG-CE 4.21Å
346	A	98.8	Very high	98	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-60.9	-31.3	172.8	0	0	0	0	0	112.7	L86 V301 L305 L338 P343 A344 L350 F373	L86-A346 HydrophobicContact CD2-CB 4.28Å; V301-A346 HydrophobicContact CG1-CB 3.92Å; V301-A346 HydrophobicContact CG2-CB 4.09Å; L305-A346 HydrophobicContact CD1-CB 4.16Å; L305-A346 WeakPolarHBondContact CD1-O 3.45Å; L338-A346 HydrophobicContact CD2-CB 4.1Å; P343-A346 WeakPolarHBondContact O-CB 3.1Å; P343-A346 PolarHBondContact O-N 3.38Å; A344-A346 PolarHBondContact O-N 2.9Å; A346-L350 VanDerWaalsContact O-CB 3.28Å; A346-L350 WeakPolarHBondContact O-CB 3.43Å; A346-L350 PolarHBondContact O-N 2.72Å; A346-F373 HydrophobicContact CB-CE1 3.55Å; A346-F373 HydrophobicContact CB-CZ 3.62Å; A346-F373 VanDerWaalsContact O-CZ 3.31Å; A346-F373 WeakPolarHBondContact O-CZ 3.33Å
347	I	98.9	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.2	-59.5	177.3	-66.1	160	0	0	0	110.7	L338 A344 L345 E349 L350 M351 W366 T369 F373 I407 L445	L338-I347 HydrophobicContact CD1-CD1 3.99Å; L338-I347 HydrophobicContact CD1-CG1 4.35Å; A344-I347 PolarHBondContact O-N 2.93Å; A344-I347 VanDerWaalsContact O-N 3.13Å; L345-I347 PolarHBondContact O-N 3.01Å; I347-E349 VanDerWaalsContact C-N 3.34Å; I347-E349 PolarHBondContact O-N 3.11Å; I347-L350 PolarHBondContact O-N 3.32Å; I347-M351 PolarHBondContact O-N 2.84Å; I347-W366 HydrophobicContact CG2-CH2 4.12Å; I347-W366 HydrophobicContact CG2-CZ3 3.79Å; I347-T369 HydrophobicContact CG2-CG2 4.1Å; I347-F373 HydrophobicContact CG1-CD2 3.88Å; I347-F373 HydrophobicContact CG1-CE2 4.15Å; I347-F373 HydrophobicContact CG1-CG 4.14Å; I347-I407 HydrophobicContact CG2-CD1 4.35Å; I347-L445 HydrophobicContact CD1-CG 4.43Å; I347-L445 HydrophobicContact CG2-CD1 4.15Å
348	P	98.8	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68	-29.5	178.2	25.9	-34.9	0	0	0	113.3	A344 L345 M351 R352 H400 I403 I404 L445	A344-P348 WeakPolarHBondContact O-CD 3.29Å; L345-P348 HydrophobicContact CD2-CG 4.17Å; L345-P348 VanDerWaalsContact O-CD 3.26Å; L345-P348 WeakPolarHBondContact O-CD 3.44Å; L345-P348 WeakPolarHBondContact O-CG 3.33Å; P348-M351 PolarHBondContact O-N 3.29Å; P348-R352 WeakPolarHBondContact O-CB 3.39Å; P348-R352 PolarHBondContact O-N 3.24Å; P348-H400 HydrophobicContact CB-CB 4.41Å; P348-I403 HydrophobicContact CB-CB 4.37Å; P348-I403 HydrophobicContact CB-CG2 3.76Å; P348-I404 HydrophobicContact CB-CG1 4.09Å; P348-I404 HydrophobicContact CG-CD1 4.27Å; P348-I404 HydrophobicContact CG-CG1 4.18Å; P348-L445 HydrophobicContact CG-CD2 4.37Å
349	E	98.9	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-68.3	-40.9	175.3	176.8	59.6	-165.4	0	0	112.3	Y298 V301 L305 L345 I347 M351 R352 I353 H400	Y298-E349 HydrophobicContact CE2-CB 4.25Å; Y298-E349 HydrophobicContact CE2-CG 4.29Å; Y298-E349 WeakPolarHBondContact CE2-OE2 3.21Å; Y298-E349 PolarHBondContact OH-OE2 2.84Å; V301-E349 HydrophobicContact CG1-CB 3.79Å; V301-E349 HydrophobicContact CG1-CG 4.06Å; L305-E349 HydrophobicContact CD1-CB 3.74Å; L305-E349 HydrophobicContact CD1-CG 3.56Å; L345-E349 VanDerWaalsContact O-CB 3.26Å; L345-E349 WeakPolarHBondContact O-CB 3.09Å; L345-E349 PolarHBondContact O-N 3.18Å; I347-E349 VanDerWaalsContact C-N 3.34Å; I347-E349 PolarHBondContact O-N 3.11Å; E349-M351 VanDerWaalsContact C-N 3.31Å; E349-M351 PolarHBondContact O-N 3.08Å; E349-R352 WeakPolarHBondContact O-CB 3.48Å; E349-R352 PolarHBondContact O-N 2.69Å; E349-R352 IonicContact OE1-CZ 3.96Å; E349-R352 IonicContact OE1-NE 3.95Å; E349-R352 PolarHBondContact OE1-NE 3.2Å; E349-R352 IonicContact OE1-NH2 2.97Å; E349-R352 PolarHBondContact OE1-NH2 3.32Å; E349-R352 IonicContact OE2-CZ 2.71Å; E349-R352 IonicContact OE2-NE 2.79Å; E349-R352 PolarHBondContact OE2-NE 2.9Å; E349-R352 IonicContact OE2-NH2 3.86Å; E349-I353 HydrophobicContact CG-CD1 4.16Å; E349-I353 WeakPolarHBondContact O-CG1 3.45Å; E349-I353 PolarHBondContact O-N 2.91Å; E349-H400 IonicContact OE2-CD2 3.54Å; E349-H400 IonicContact OE2-CE1 2.73Å; E349-H400 PolarHBondContact OE2-CE1 3.01Å; E349-H400 IonicContact OE2-NE2 3.95Å; E349-H400 PolarHBondContact OE2-NE2 2.87Å
350	L	98.8	Very high	97.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-40.9	175.5	-174.3	59.1	0	0	0	110.8	L305 I309 F330 A346 I347 R352 I353 F354 T369 F373	L305-L350 HydrophobicContact CD1-CB 4.13Å; L305-L350 HydrophobicContact CD2-CD1 4.43Å; I309-L350 HydrophobicContact CD1-CD1 4.09Å; F330-L350 HydrophobicContact CE1-CD1 4.36Å; F330-L350 HydrophobicContact CE1-CD2 4.17Å; F330-L350 HydrophobicContact CZ-CD1 4.38Å; A346-L350 VanDerWaalsContact O-CB 3.28Å; A346-L350 WeakPolarHBondContact O-CB 3.43Å; A346-L350 PolarHBondContact O-N 2.72Å; I347-L350 PolarHBondContact O-N 3.32Å; L350-R352 PolarHBondContact O-N 3.02Å; L350-I353 PolarHBondContact O-N 2.78Å; L350-F354 HydrophobicContact CD1-CD1 4.32Å; L350-F354 HydrophobicContact CD1-CD2 4.16Å; L350-F354 HydrophobicContact CD1-CE1 3.87Å; L350-F354 HydrophobicContact CD1-CE2 3.71Å; L350-F354 HydrophobicContact CD1-CG 4.46Å; L350-F354 HydrophobicContact CD1-CZ 3.55Å; L350-F354 HydrophobicContact CD2-CE2 3.85Å; L350-F354 HydrophobicContact CD2-CZ 4.26Å; L350-F354 HydrophobicContact CG-CD2 3.9Å; L350-F354 HydrophobicContact CG-CE2 3.58Å; L350-F354 HydrophobicContact CG-CZ 3.98Å; L350-F354 WeakPolarHBondContact O-CB 3.29Å; L350-F354 WeakPolarHBondContact O-CG 3.49Å; L350-F354 PolarHBondContact O-N 2.86Å; L350-T369 HydrophobicContact CD2-CG2 4.43Å; L350-F373 HydrophobicContact CB-CE2 3.94Å; L350-F373 HydrophobicContact CB-CZ 4.19Å; L350-F373 HydrophobicContact CD2-CD2 4.35Å; L350-F373 HydrophobicContact CD2-CE2 3.48Å; L350-F373 VanDerWaalsContact CD2-CE2 3.48Å; L350-F373 HydrophobicContact CD2-CZ 3.99Å; L350-F373 HydrophobicContact CG-CE2 4.35Å
351	M	98.8	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-44.7	172.2	-75.5	-61.4	-69.5	0	0	112.1	I347 P348 E349 I353 F354 V355 W362 A365 W366 T369 I403	I347-M351 PolarHBondContact O-N 2.84Å; P348-M351 PolarHBondContact O-N 3.29Å; E349-M351 VanDerWaalsContact C-N 3.31Å; E349-M351 PolarHBondContact O-N 3.08Å; M351-I353 PolarHBondContact O-N 3.15Å; M351-F354 PolarHBondContact O-N 2.89Å; M351-V355 HydrophobicContact CE-CG2 4.17Å; M351-V355 WeakPolarHBondContact O-CB 3.43Å; M351-V355 WeakPolarHBondContact O-CG2 3.5Å; M351-V355 PolarHBondContact O-N 2.84Å; M351-W362 HydrophobicContact CE-CD2 3.59Å; M351-W362 HydrophobicContact CE-CE3 3.67Å; M351-W362 HydrophobicContact CE-CG 4.24Å; M351-W362 HydrophobicContact CE-CH2 3.87Å; M351-W362 HydrophobicContact CE-CZ2 3.78Å; M351-W362 HydrophobicContact CE-CZ3 3.81Å; M351-A365 HydrophobicContact CE-CB 3.92Å; M351-A365 HydrophobicContact SD-CB 3.77Å; M351-W366 HydrophobicContact CE-CB 3.97Å; M351-W366 HydrophobicContact CE-CE3 4.18Å; M351-W366 HydrophobicContact CG-CE3 3.95Å; M351-W366 HydrophobicContact CG-CZ3 4.28Å; M351-W366 VanDerWaalsContact SD-CA 3.54Å; M351-W366 HydrophobicContact SD-CB 4.13Å; M351-W366 HydrophobicContact SD-CE3 3.77Å; M351-W366 PolarHBondContact SD-N 3Å; M351-W366 VanDerWaalsContact SD-N 3.42Å; M351-T369 HydrophobicContact CG-CG2 4.21Å; M351-T369 HydrophobicContact SD-CG2 4.47Å; M351-T369 PolarHBondContact SD-OG1 2.86Å; M351-T369 VanDerWaalsContact SD-OG1 3.37Å; M351-I403 HydrophobicContact CB-CG2 3.86Å
352	R	98.7	Very high	97.1	Very high	26 Å²	26	23.8 Å²	23.8	10%	0.098	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-47.8	176.5	-167.8	-163.6	67.1	76.7	0.5	111.2	P348 E349 L350 D356 R399 I403	P348-R352 WeakPolarHBondContact O-CB 3.39Å; P348-R352 PolarHBondContact O-N 3.24Å; E349-R352 WeakPolarHBondContact O-CB 3.48Å; E349-R352 PolarHBondContact O-N 2.69Å; E349-R352 IonicContact OE1-CZ 3.96Å; E349-R352 IonicContact OE1-NE 3.95Å; E349-R352 PolarHBondContact OE1-NE 3.2Å; E349-R352 IonicContact OE1-NH2 2.97Å; E349-R352 PolarHBondContact OE1-NH2 3.32Å; E349-R352 IonicContact OE2-CZ 2.71Å; E349-R352 IonicContact OE2-NE 2.79Å; E349-R352 PolarHBondContact OE2-NE 2.9Å; E349-R352 IonicContact OE2-NH2 3.86Å; L350-R352 PolarHBondContact O-N 3.02Å; R352-D356 HydrophobicContact CG-CB 4.46Å; R352-D356 VanDerWaalsContact CG-OD2 3.24Å; R352-D356 WeakPolarHBondContact CG-OD2 3.47Å; R352-D356 WeakPolarHBondContact O-CA 3.49Å; R352-D356 WeakPolarHBondContact O-CB 3.32Å; R352-D356 PolarHBondContact O-N 2.82Å; R352-R399 HydrophobicContact CG-CG 3.98Å; R352-I403 HydrophobicContact CB-CD1 3.57Å; R352-I403 HydrophobicContact CG-CD1 4.03Å
353	I	98.1	Very high	97.2	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.036	14%	0.144	C	C	.	.	I	π-helix	trans	-63.1	-48.1	179	-63.4	166.4	0	0	0	110.2	L305 I309 E349 L350 M351 I357 E358	L305-I353 HydrophobicContact CB-CD1 4.01Å; I309-I353 HydrophobicContact CD1-CB 4.16Å; I309-I353 HydrophobicContact CD1-CD1 3.83Å; I309-I353 HydrophobicContact CD1-CG2 3.49Å; I309-I353 VanDerWaalsContact CD1-CG2 3.49Å; E349-I353 HydrophobicContact CG-CD1 4.16Å; E349-I353 WeakPolarHBondContact O-CG1 3.45Å; E349-I353 PolarHBondContact O-N 2.91Å; L350-I353 PolarHBondContact O-N 2.78Å; M351-I353 PolarHBondContact O-N 3.15Å; I353-I357 HydrophobicContact CG1-CD1 4.31Å; I353-I357 HydrophobicContact CG2-CB 4.5Å; I353-I357 HydrophobicContact CG2-CD1 4.34Å; I353-I357 WeakPolarHBondContact O-CA 3.4Å; I353-I357 VanDerWaalsContact O-CB 3.28Å; I353-I357 WeakPolarHBondContact O-CB 3.19Å; I353-I357 PolarHBondContact O-N 2.8Å; I353-I357 VanDerWaalsContact O-N 3.11Å; I353-E358 HydrophobicContact CG2-CG 4.21Å; I353-E358 PolarHBondContact O-N 2.79Å
354	F	97.5	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-63.7	-43.4	-179.1	-76.5	-16.1	0	0	0	113.8	F327 F330 L350 M351 E358 K359 L360 A365 L368	F327-F354 HydrophobicContact CD1-CD1 4.35Å; F327-F354 AromaticContact CD1-CE1 3.5Å; F327-F354 HydrophobicContact CD1-CE1 3.5Å; F327-F354 VanDerWaalsContact CD1-CE1 3.5Å; F327-F354 HydrophobicContact CD1-CZ 4.11Å; F327-F354 HydrophobicContact CE1-CD1 4.42Å; F327-F354 AromaticContact CE1-CE1 3.7Å; F327-F354 HydrophobicContact CE1-CE1 3.7Å; F327-F354 HydrophobicContact CG-CE1 4.03Å; F327-F354 HydrophobicContact CZ-CE1 4.38Å; F330-F354 AromaticContact CD1-CZ 3.86Å; F330-F354 HydrophobicContact CD1-CZ 3.86Å; F330-F354 AromaticContact CE1-CZ 3.94Å; F330-F354 HydrophobicContact CE1-CZ 3.94Å; F330-F354 HydrophobicContact CG-CZ 4.15Å; F330-F354 HydrophobicContact CZ-CZ 4.32Å; L350-F354 HydrophobicContact CD1-CD1 4.32Å; L350-F354 HydrophobicContact CD1-CD2 4.16Å; L350-F354 HydrophobicContact CD1-CE1 3.87Å; L350-F354 HydrophobicContact CD1-CE2 3.71Å; L350-F354 HydrophobicContact CD1-CG 4.46Å; L350-F354 HydrophobicContact CD1-CZ 3.55Å; L350-F354 HydrophobicContact CD2-CE2 3.85Å; L350-F354 HydrophobicContact CD2-CZ 4.26Å; L350-F354 HydrophobicContact CG-CD2 3.9Å; L350-F354 HydrophobicContact CG-CE2 3.58Å; L350-F354 HydrophobicContact CG-CZ 3.98Å; L350-F354 WeakPolarHBondContact O-CB 3.29Å; L350-F354 WeakPolarHBondContact O-CG 3.49Å; L350-F354 PolarHBondContact O-N 2.86Å; M351-F354 PolarHBondContact O-N 2.89Å; F354-E358 HydrophobicContact CD1-CG 4.42Å; F354-E358 CarbonylContact O-C 3.58Å; F354-K359 PolarHBondContact O-N 3.16Å; F354-L360 HydrophobicContact CB-CB 4.45Å; F354-L360 HydrophobicContact CB-CD1 3.96Å; F354-L360 HydrophobicContact CD1-CD1 4.06Å; F354-L360 HydrophobicContact CD2-CD1 4.42Å; F354-L360 HydrophobicContact CG-CD1 3.91Å; F354-L360 WeakPolarHBondContact O-CB 3.48Å; F354-L360 PolarHBondContact O-N 3.07Å; F354-A365 HydrophobicContact CB-CB 3.68Å; F354-A365 HydrophobicContact CD2-CB 4.25Å; F354-A365 HydrophobicContact CG-CB 4.45Å; F354-L368 HydrophobicContact CE2-CB 3.97Å
355	V	97	Very high	97.1	Very high	30 Å²	30	29.8 Å²	29.8	18%	0.182	16%	0.155	C	C	.	.	I	π-helix	trans	-83.5	-51.9	-176.3	177.1	0	0	0	0	111.3	M351 K359 W362 A365	M351-V355 HydrophobicContact CE-CG2 4.17Å; M351-V355 WeakPolarHBondContact O-CB 3.43Å; M351-V355 WeakPolarHBondContact O-CG2 3.5Å; M351-V355 PolarHBondContact O-N 2.84Å; V355-K359 WeakPolarHBondContact O-CA 3.41Å; V355-K359 PolarHBondContact O-N 2.92Å; V355-W362 HydrophobicContact CG2-CE3 4.11Å; V355-A365 HydrophobicContact CG2-CB 3.72Å
356	D	96.6	Very high	97.1	Very high	15 Å²	15	31.6 Å²	31.6	8%	0.08	16%	0.162	C	C	.	.	I	π-helix	trans	-80.5	-34.1	-170.2	-56.9	-10.2	0	0	0	111.6	R352 K359 R399	R352-D356 HydrophobicContact CG-CB 4.46Å; R352-D356 VanDerWaalsContact CG-OD2 3.24Å; R352-D356 WeakPolarHBondContact CG-OD2 3.47Å; R352-D356 WeakPolarHBondContact O-CA 3.49Å; R352-D356 WeakPolarHBondContact O-CB 3.32Å; R352-D356 PolarHBondContact O-N 2.82Å; D356-K359 WeakPolarHBondContact O-CE 3.33Å; D356-K359 PolarHBondContact O-NZ 3.48Å; D356-R399 IonicContact OD1-CZ 2.65Å; D356-R399 IonicContact OD1-NE 3.84Å; D356-R399 PolarHBondContact OD1-NE 2.97Å; D356-R399 IonicContact OD1-NH2 3.82Å; D356-R399 PolarHBondContact OD1-NH2 3.35Å; D356-R399 IonicContact OD2-CZ 3.35Å; D356-R399 IonicContact OD2-NE 2.93Å; D356-R399 PolarHBondContact OD2-NE 3.19Å; D356-R399 IonicContact OD2-NH2 2.8Å
357	I	95.1	Very high	97.1	Very high	92 Å²	92	35 Å²	35	47%	0.472	18%	0.178	S	C	.	.	I	π-helix	trans	-101.2	-56.3	-175.6	-53.2	178	0	0	0	111.3	I353 K359	I353-I357 HydrophobicContact CG1-CD1 4.31Å; I353-I357 HydrophobicContact CG2-CB 4.5Å; I353-I357 HydrophobicContact CG2-CD1 4.34Å; I353-I357 WeakPolarHBondContact O-CA 3.4Å; I353-I357 VanDerWaalsContact O-CB 3.28Å; I353-I357 WeakPolarHBondContact O-CB 3.19Å; I353-I357 PolarHBondContact O-N 2.8Å; I353-I357 VanDerWaalsContact O-N 3.11Å; I357-K359 PolarHBondContact O-N 3.29Å
358	E	93.8	Very high	97.1	Very high	52 Å²	52	35.2 Å²	35.2	24%	0.243	18%	0.179	C	C	.	.	S	Bend	trans	-82.6	-3	-176.7	-51.4	-65.7	162.5	0	0	113.1	K313 F327 I353 F354 L360	K313-E358 IonicContact NZ-OE1 3.44Å; K313-E358 PolarHBondContact NZ-OE1 3.22Å; K313-E358 IonicContact NZ-OE2 3.55Å; K313-E358 PolarHBondContact NZ-OE2 3.22Å; F327-E358 HydrophobicContact CD2-CB 4.47Å; F327-E358 HydrophobicContact CE2-CB 3.81Å; F327-E358 HydrophobicContact CE2-CG 3.57Å; F327-E358 WeakPolarHBondContact CE2-OE2 3.42Å; F327-E358 HydrophobicContact CZ-CB 4.35Å; F327-E358 VanDerWaalsContact CZ-CD 3.49Å; F327-E358 HydrophobicContact CZ-CG 3.6Å; I353-E358 HydrophobicContact CG2-CG 4.21Å; I353-E358 PolarHBondContact O-N 2.79Å; F354-E358 HydrophobicContact CD1-CG 4.42Å; F354-E358 CarbonylContact O-C 3.58Å; E358-L360 HydrophobicContact CB-CG 4.42Å; E358-L360 PolarHBondContact O-N 2.89Å
359	K	93.5	Very high	97.1	Very high	118 Å²	118	35.2 Å²	35.2	51%	0.513	18%	0.179	S	C	.	.			trans	57.2	31.7	174.1	-52.9	-54.8	-173.2	-179.4	0	114.3	T212 F354 V355 D356 I357	T212-K359 PolarHBondContact O-NZ 3.24Å; F354-K359 PolarHBondContact O-N 3.16Å; V355-K359 WeakPolarHBondContact O-CA 3.41Å; V355-K359 PolarHBondContact O-N 2.92Å; D356-K359 WeakPolarHBondContact O-CE 3.33Å; D356-K359 PolarHBondContact O-NZ 3.48Å; I357-K359 PolarHBondContact O-N 3.29Å
360	L	94.1	Very high	97	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.047	19%	0.192	C	C	.	.			trans	-72.4	141.4	172.8	-63.8	-177.9	0	0	0	110.7	T325 F327 F354 E358 A365 L368	T325-L360 HydrophobicContact CG2-CD2 3.63Å; F327-L360 HydrophobicContact CB-CD1 4.15Å; F327-L360 HydrophobicContact CD2-CD1 4.27Å; F327-L360 HydrophobicContact CG-CD1 4.39Å; F354-L360 HydrophobicContact CB-CB 4.45Å; F354-L360 HydrophobicContact CB-CD1 3.96Å; F354-L360 HydrophobicContact CD1-CD1 4.06Å; F354-L360 HydrophobicContact CD2-CD1 4.42Å; F354-L360 HydrophobicContact CG-CD1 3.91Å; F354-L360 WeakPolarHBondContact O-CB 3.48Å; F354-L360 PolarHBondContact O-N 3.07Å; E358-L360 HydrophobicContact CB-CG 4.42Å; E358-L360 PolarHBondContact O-N 2.89Å; L360-A365 HydrophobicContact CB-CB 4.22Å; L360-L368 HydrophobicContact CD1-CD1 4.02Å
361	P	95.4	Very high	97	Very high	84 Å²	84	43 Å²	43	55%	0.545	21%	0.214	S	C	.	.			trans	-56.8	142.1	168.5	-23.4	33.5	0	0	0	111	S363 K364 A365	P361-S363 VanDerWaalsContact C-N 3.33Å; P361-S363 PolarHBondContact O-N 3.31Å; P361-K364 HydrophobicContact CB-CB 4.48Å; P361-K364 WeakPolarHBondContact O-CB 3.14Å; P361-K364 PolarHBondContact O-N 2.9Å; P361-A365 PolarHBondContact O-N 3.46Å
362	W	97.1	Very high	97	Very high	47 Å²	47	43 Å²	43	18%	0.178	21%	0.214	C	C	.	.	H	α-helix	trans	-50.8	-48.8	-176.4	178.4	-82	0	0	0	113.4	M351 V355 K364 A365 W366 I403 E406 I407	M351-W362 HydrophobicContact CE-CD2 3.59Å; M351-W362 HydrophobicContact CE-CE3 3.67Å; M351-W362 HydrophobicContact CE-CG 4.24Å; M351-W362 HydrophobicContact CE-CH2 3.87Å; M351-W362 HydrophobicContact CE-CZ2 3.78Å; M351-W362 HydrophobicContact CE-CZ3 3.81Å; V355-W362 HydrophobicContact CG2-CE3 4.11Å; W362-K364 VanDerWaalsContact C-N 3.25Å; W362-K364 PolarHBondContact O-N 2.95Å; W362-A365 PolarHBondContact O-N 3.47Å; W362-W366 WeakPolarHBondContact O-CB 3.49Å; W362-W366 PolarHBondContact O-N 3.33Å; W362-I403 HydrophobicContact CH2-CB 4.36Å; W362-I403 HydrophobicContact CH2-CG2 3.84Å; W362-I403 HydrophobicContact CZ3-CG1 4.31Å; W362-I403 HydrophobicContact CZ3-CG2 4.29Å; W362-E406 HydrophobicContact CD2-CG 4.15Å; W362-E406 HydrophobicContact CE3-CG 4.29Å; W362-E406 HydrophobicContact CH2-CB 3.63Å; W362-E406 HydrophobicContact CH2-CG 3.54Å; W362-E406 HydrophobicContact CZ2-CB 3.82Å; W362-E406 HydrophobicContact CZ2-CG 3.38Å; W362-E406 HydrophobicContact CZ3-CB 4.3Å; W362-E406 HydrophobicContact CZ3-CG 4.01Å; W362-I407 HydrophobicContact CH2-CG1 4.17Å; W362-I407 HydrophobicContact CZ2-CG1 3.84Å
363	S	96.9	Very high	97	Very high	90 Å²	90	41.7 Å²	41.7	63%	0.629	21%	0.209	S	C	*	.	H	α-helix	trans	-58.2	-40	-179	51.8	0	0	0	0	112.1	P361 E367	P361-S363 VanDerWaalsContact C-N 3.33Å; P361-S363 PolarHBondContact O-N 3.31Å; S363-E367 PolarHBondContact O-N 3.05Å; S363-E367 VanDerWaalsContact O-N 3.09Å
364	K	96.6	Very high	97.1	Very high	53 Å²	53	41.4 Å²	41.4	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-72	-45.8	178.3	-174.6	60.2	178.1	-176.4	0	111.9	D328 P361 W362 W366 E367 L368	D328-K364 WeakPolarHBondContact OD1-CE 3.48Å; D328-K364 IonicContact OD1-NZ 3.01Å; D328-K364 PolarHBondContact OD1-NZ 2.92Å; P361-K364 HydrophobicContact CB-CB 4.48Å; P361-K364 WeakPolarHBondContact O-CB 3.14Å; P361-K364 PolarHBondContact O-N 2.9Å; W362-K364 VanDerWaalsContact C-N 3.25Å; W362-K364 PolarHBondContact O-N 2.95Å; K364-W366 PolarHBondContact O-N 3.27Å; K364-E367 IonicContact NZ-OE2 2.74Å; K364-E367 PolarHBondContact O-N 3.45Å; K364-L368 HydrophobicContact CG-CD1 4.4Å; K364-L368 WeakPolarHBondContact O-CG 3.49Å; K364-L368 PolarHBondContact O-N 3.42Å; K364-L368 VanDerWaalsContact O-N 3.1Å
365	A	97.9	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.5	-41.1	175.6	0	0	0	0	0	111.5	M351 F354 V355 L360 P361 W362 L368 T369	M351-A365 HydrophobicContact CE-CB 3.92Å; M351-A365 HydrophobicContact SD-CB 3.77Å; F354-A365 HydrophobicContact CB-CB 3.68Å; F354-A365 HydrophobicContact CD2-CB 4.25Å; F354-A365 HydrophobicContact CG-CB 4.45Å; V355-A365 HydrophobicContact CG2-CB 3.72Å; L360-A365 HydrophobicContact CB-CB 4.22Å; P361-A365 PolarHBondContact O-N 3.46Å; W362-A365 PolarHBondContact O-N 3.47Å; A365-L368 PolarHBondContact O-N 3.41Å; A365-T369 VanDerWaalsContact O-CB 3.3Å; A365-T369 WeakPolarHBondContact O-CB 3.01Å; A365-T369 PolarHBondContact O-N 2.96Å; A365-T369 PolarHBondContact O-OG1 3.46Å
366	W	98.5	Very high	97.2	Very high	40 Å²	40	40 Å²	40	15%	0.152	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-44.1	179.3	-173.9	-116.1	0	0	0	112.5	I347 M351 W362 K364 L368 T369 Q370 I407 V448 G449	I347-W366 HydrophobicContact CG2-CH2 4.12Å; I347-W366 HydrophobicContact CG2-CZ3 3.79Å; M351-W366 HydrophobicContact CE-CB 3.97Å; M351-W366 HydrophobicContact CE-CE3 4.18Å; M351-W366 HydrophobicContact CG-CE3 3.95Å; M351-W366 HydrophobicContact CG-CZ3 4.28Å; M351-W366 VanDerWaalsContact SD-CA 3.54Å; M351-W366 HydrophobicContact SD-CB 4.13Å; M351-W366 HydrophobicContact SD-CE3 3.77Å; M351-W366 PolarHBondContact SD-N 3Å; M351-W366 VanDerWaalsContact SD-N 3.42Å; W362-W366 WeakPolarHBondContact O-CB 3.49Å; W362-W366 PolarHBondContact O-N 3.33Å; K364-W366 PolarHBondContact O-N 3.27Å; W366-L368 PolarHBondContact O-N 2.81Å; W366-T369 HydrophobicContact CE3-CG2 4.26Å; W366-T369 HydrophobicContact CZ3-CG2 4.17Å; W366-T369 WeakPolarHBondContact O-CB 3.48Å; W366-T369 PolarHBondContact O-N 2.99Å; W366-Q370 HydrophobicContact CD2-CG 4.12Å; W366-Q370 VanDerWaalsContact CE2-CD 3.49Å; W366-Q370 HydrophobicContact CH2-CG 4.39Å; W366-Q370 HydrophobicContact CZ2-CG 3.8Å; W366-Q370 WeakPolarHBondContact O-CG 3.43Å; W366-Q370 PolarHBondContact O-N 2.89Å; W366-I407 HydrophobicContact CE3-CD1 4.37Å; W366-I407 HydrophobicContact CE3-CG1 4.25Å; W366-I407 HydrophobicContact CH2-CD1 4.02Å; W366-I407 HydrophobicContact CH2-CG1 4.05Å; W366-I407 HydrophobicContact CH2-CG2 3.72Å; W366-I407 HydrophobicContact CZ2-CG2 4.13Å; W366-I407 HydrophobicContact CZ3-CD1 3.59Å; W366-I407 HydrophobicContact CZ3-CG1 3.78Å; W366-I407 HydrophobicContact CZ3-CG2 4.33Å; W366-V448 HydrophobicContact CH2-CG1 4.27Å; W366-V448 HydrophobicContact CZ2-CG1 3.85Å; W366-G449 VanDerWaalsContact CH2-CA 3.47Å
367	E	98.3	Very high	97.2	Very high	73 Å²	73	39.3 Å²	39.3	34%	0.341	20%	0.195	S	C	.	.	H	α-helix	trans	-56.4	-48.4	174.6	-174	-160.9	165.7	0	0	111.6	S363 K364 T369 K371	S363-E367 PolarHBondContact O-N 3.05Å; S363-E367 VanDerWaalsContact O-N 3.09Å; K364-E367 IonicContact NZ-OE2 2.74Å; K364-E367 PolarHBondContact O-N 3.45Å; E367-T369 VanDerWaalsContact C-N 3.34Å; E367-T369 PolarHBondContact O-N 3Å; E367-K371 HydrophobicContact CG-CD 4.42Å; E367-K371 WeakPolarHBondContact O-CG 3.22Å; E367-K371 PolarHBondContact O-N 2.94Å; E367-K371 VanDerWaalsContact O-N 3.15Å; E367-K371 WeakPolarHBondContact OE1-CE 3.41Å; E367-K371 IonicContact OE1-NZ 2.86Å; E367-K371 PolarHBondContact OE1-NZ 3.01Å
368	L	98.3	Very high	97.1	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-39.6	178.9	-63.4	175.6	0	0	0	111.6	F327 P331 F354 L360 K364 A365 W366 T372	F327-L368 HydrophobicContact CB-CD1 3.94Å; P331-L368 HydrophobicContact CG-CB 4.47Å; P331-L368 HydrophobicContact CG-CD2 3.89Å; F354-L368 HydrophobicContact CE2-CB 3.97Å; L360-L368 HydrophobicContact CD1-CD1 4.02Å; K364-L368 HydrophobicContact CG-CD1 4.4Å; K364-L368 WeakPolarHBondContact O-CG 3.49Å; K364-L368 PolarHBondContact O-N 3.42Å; K364-L368 VanDerWaalsContact O-N 3.1Å; A365-L368 PolarHBondContact O-N 3.41Å; W366-L368 PolarHBondContact O-N 2.81Å; L368-T372 WeakPolarHBondContact O-CB 3.36Å; L368-T372 PolarHBondContact O-N 2.76Å; L368-T372 VanDerWaalsContact O-N 3.15Å; L368-T372 PolarHBondContact O-OG1 3.37Å
369	T	98.7	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-53.1	177	-65.1	0	0	0	0	110.9	I347 L350 M351 A365 W366 E367 K371 T372 F373	I347-T369 HydrophobicContact CG2-CG2 4.1Å; L350-T369 HydrophobicContact CD2-CG2 4.43Å; M351-T369 HydrophobicContact CG-CG2 4.21Å; M351-T369 HydrophobicContact SD-CG2 4.47Å; M351-T369 PolarHBondContact SD-OG1 2.86Å; M351-T369 VanDerWaalsContact SD-OG1 3.37Å; A365-T369 VanDerWaalsContact O-CB 3.3Å; A365-T369 WeakPolarHBondContact O-CB 3.01Å; A365-T369 PolarHBondContact O-N 2.96Å; A365-T369 PolarHBondContact O-OG1 3.46Å; W366-T369 HydrophobicContact CE3-CG2 4.26Å; W366-T369 HydrophobicContact CZ3-CG2 4.17Å; W366-T369 WeakPolarHBondContact O-CB 3.48Å; W366-T369 PolarHBondContact O-N 2.99Å; E367-T369 VanDerWaalsContact C-N 3.34Å; E367-T369 PolarHBondContact O-N 3Å; T369-K371 VanDerWaalsContact C-N 3.32Å; T369-K371 PolarHBondContact O-N 2.92Å; T369-T372 PolarHBondContact O-N 3.36Å; T369-F373 HydrophobicContact CG2-CD2 3.77Å; T369-F373 HydrophobicContact CG2-CE2 3.85Å; T369-F373 WeakPolarHBondContact O-CD2 3.44Å; T369-F373 PolarHBondContact O-N 3.22Å
370	Q	98.4	Very high	96.3	Very high	56 Å²	56	30 Å²	30	26%	0.262	15%	0.154	S	C	.	.	H	α-helix	trans	-59.4	-41.8	-179.6	-70.2	-173.1	-59.7	0	0	112.3	W366 T372 V448 G449 H451	W366-Q370 HydrophobicContact CD2-CG 4.12Å; W366-Q370 VanDerWaalsContact CE2-CD 3.49Å; W366-Q370 HydrophobicContact CH2-CG 4.39Å; W366-Q370 HydrophobicContact CZ2-CG 3.8Å; W366-Q370 WeakPolarHBondContact O-CG 3.43Å; W366-Q370 PolarHBondContact O-N 2.89Å; Q370-T372 PolarHBondContact O-N 3.28Å; Q370-V448 PolarHBondContact NE2-O 3.08Å; Q370-G449 WeakPolarHBondContact CA-O 3.5Å; Q370-H451 VanDerWaalsContact O-CB 3.31Å; Q370-H451 WeakPolarHBondContact O-CB 3.34Å; Q370-H451 PolarHBondContact O-N 3Å; Q370-H451 PolarHBondContact O-ND1 3.11Å; Q370-H451 VanDerWaalsContact O-ND1 3.1Å
371	K	98.5	Very high	95.8	Very high	107 Å²	107	30.6 Å²	30.6	47%	0.465	16%	0.157	S	C	.	.	H	α-helix	trans	-68.6	-19.6	177.4	-69.7	-179.7	-175.2	178.6	0	114	P331 E367 T369 H451	P331-K371 HydrophobicContact CB-CB 3.68Å; P331-K371 HydrophobicContact CG-CB 3.8Å; P331-K371 HydrophobicContact CG-CD 4.49Å; E367-K371 HydrophobicContact CG-CD 4.42Å; E367-K371 WeakPolarHBondContact O-CG 3.22Å; E367-K371 PolarHBondContact O-N 2.94Å; E367-K371 VanDerWaalsContact O-N 3.15Å; E367-K371 WeakPolarHBondContact OE1-CE 3.41Å; E367-K371 IonicContact OE1-NZ 2.86Å; E367-K371 PolarHBondContact OE1-NZ 3.01Å; T369-K371 VanDerWaalsContact C-N 3.32Å; T369-K371 PolarHBondContact O-N 2.92Å; K371-H451 PolarHBondContact O-ND1 3.39Å
372	T	98.6	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-87.5	-37.6	-178.2	-59	0	0	0	0	112.2	F330 V334 I336 L368 T369 Q370	F330-T372 HydrophobicContact CD1-CG2 4.31Å; F330-T372 WeakPolarHBondContact CD1-OG1 3.28Å; F330-T372 HydrophobicContact CE1-CG2 3.84Å; V334-T372 HydrophobicContact CB-CG2 4.47Å; V334-T372 HydrophobicContact CG1-CG2 3.9Å; I336-T372 HydrophobicContact CB-CG2 4.29Å; I336-T372 HydrophobicContact CD1-CG2 3.82Å; I336-T372 HydrophobicContact CG1-CG2 3.78Å; I336-T372 PolarHBondContact N-O 2.99Å; L368-T372 WeakPolarHBondContact O-CB 3.36Å; L368-T372 PolarHBondContact O-N 2.76Å; L368-T372 VanDerWaalsContact O-N 3.15Å; L368-T372 PolarHBondContact O-OG1 3.37Å; T369-T372 PolarHBondContact O-N 3.36Å; Q370-T372 PolarHBondContact O-N 3.28Å
373	F	98.8	Very high	93.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.3	-170.7	-73.2	-69.5	0	0	0	113.9	L305 I336 L338 A346 I347 L350 T369 S450 H451	L305-F373 HydrophobicContact CD2-CZ 4.38Å; I336-F373 HydrophobicContact CB-CD1 3.69Å; I336-F373 HydrophobicContact CB-CE1 3.67Å; I336-F373 HydrophobicContact CD1-CE1 3.81Å; I336-F373 HydrophobicContact CD1-CZ 4.02Å; I336-F373 HydrophobicContact CG1-CE1 4.32Å; I336-F373 HydrophobicContact CG2-CD1 3.78Å; I336-F373 HydrophobicContact CG2-CE1 3.5Å; I336-F373 VanDerWaalsContact CG2-CE1 3.5Å; I336-F373 WeakPolarHBondContact O-CA 3.35Å; L338-F373 HydrophobicContact CD1-CD1 4.21Å; L338-F373 HydrophobicContact CD2-CD1 3.86Å; L338-F373 HydrophobicContact CD2-CE1 3.96Å; L338-F373 HydrophobicContact CG-CD1 4.07Å; A346-F373 HydrophobicContact CB-CE1 3.55Å; A346-F373 HydrophobicContact CB-CZ 3.62Å; A346-F373 VanDerWaalsContact O-CZ 3.31Å; A346-F373 WeakPolarHBondContact O-CZ 3.33Å; I347-F373 HydrophobicContact CG1-CD2 3.88Å; I347-F373 HydrophobicContact CG1-CE2 4.15Å; I347-F373 HydrophobicContact CG1-CG 4.14Å; L350-F373 HydrophobicContact CB-CE2 3.94Å; L350-F373 HydrophobicContact CB-CZ 4.19Å; L350-F373 HydrophobicContact CD2-CD2 4.35Å; L350-F373 HydrophobicContact CD2-CE2 3.48Å; L350-F373 VanDerWaalsContact CD2-CE2 3.48Å; L350-F373 HydrophobicContact CD2-CZ 3.99Å; L350-F373 HydrophobicContact CG-CE2 4.35Å; T369-F373 HydrophobicContact CG2-CD2 3.77Å; T369-F373 HydrophobicContact CG2-CE2 3.85Å; T369-F373 WeakPolarHBondContact O-CD2 3.44Å; T369-F373 PolarHBondContact O-N 3.22Å; F373-S450 CarbonylContact O-C 3.57Å; F373-S450 VanDerWaalsContact O-CA 3.25Å; F373-S450 WeakPolarHBondContact O-CA 3.31Å; F373-S450 VanDerWaalsContact O-CB 3.29Å; F373-S450 WeakPolarHBondContact O-CB 3.24Å; F373-H451 PolarHBondContact O-CE1 2.94Å; F373-H451 VanDerWaalsContact O-CE1 3.25Å; F373-H451 PolarHBondContact O-N 3.36Å; F373-H451 PolarHBondContact O-ND1 3.03Å
374	A	98.8	Very high	93	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.2	164.5	0	0	0	0	0	110.3	I336 Q337 L338 T452 I825	I336-A374 PolarHBondContact O-N 3.35Å; Q337-A374 PolarHBondContact NE2-O 2.84Å; L338-A374 PolarHBondContact N-O 3.45Å; A374-T452 WeakPolarHBondContact CA-O 3.39Å; A374-I825 HydrophobicContact CB-CG2 3.4Å; A374-I825 VanDerWaalsContact CB-CG2 3.4Å
375	Y	98.7	Very high	92.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.4	-173.5	163.9	-128.9	0	0	0	111.9	L338 T341 N377 C446 I447 T452 V453 N454	L338-Y375 HydrophobicContact CB-CD2 4.49Å; T341-Y375 HydrophobicContact CG2-CE2 4.09Å; Y375-N377 HydrophobicContact CE1-CB 4.06Å; Y375-N377 HydrophobicContact CE2-CB 4.39Å; Y375-N377 WeakPolarHBondContact OH-CB 3.29Å; Y375-N377 PolarHBondContact OH-ND2 3.01Å; Y375-N377 VanDerWaalsContact OH-ND2 3.11Å; Y375-C446 HydrophobicContact CD1-CB 3.61Å; Y375-C446 HydrophobicContact CD2-CB 3.81Å; Y375-C446 HydrophobicContact CE1-CB 3.98Å; Y375-C446 HydrophobicContact CE2-CB 4.19Å; Y375-C446 HydrophobicContact CG-CB 3.53Å; Y375-I447 HydrophobicContact CD1-CG1 4.22Å; Y375-I447 HydrophobicContact CE1-CG1 4.16Å; Y375-T452 PolarHBondContact N-O 3.16Å; Y375-V453 HydrophobicContact CD1-CB 4.44Å; Y375-V453 HydrophobicContact CD1-CG1 3.74Å; Y375-V453 HydrophobicContact CD1-CG2 4.09Å; Y375-V453 HydrophobicContact CE1-CG1 4.12Å; Y375-V453 CarbonylContact O-C 3.58Å; Y375-V453 VanDerWaalsContact O-CA 3.28Å; Y375-V453 WeakPolarHBondContact O-CA 3.42Å; Y375-N454 PolarHBondContact O-N 3.32Å; Y375-N454 PolarHBondContact O-OD1 2.87Å
376	T	98.5	Very high	92.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.6	171.4	-56.4	0	0	0	0	110.6	Q337 L338 D340 H378 N454 V456 Y821	Q337-T376 PolarHBondContact NE2-OG1 3.43Å; L338-T376 PolarHBondContact O-N 3.35Å; D340-T376 VanDerWaalsContact CA-O 3.28Å; D340-T376 WeakPolarHBondContact CA-O 3.48Å; D340-T376 PolarHBondContact N-O 3.11Å; T376-H378 VanDerWaalsContact CG2-NE2 3.28Å; T376-H378 WeakPolarHBondContact CG2-NE2 3.4Å; T376-N454 WeakPolarHBondContact CA-O 3.27Å; T376-N454 WeakPolarHBondContact CG2-ND2 3.3Å; T376-N454 PolarHBondContact OG1-OD1 3.45Å; T376-V456 HydrophobicContact CG2-CG1 3.58Å; T376-Y821 PolarHBondContact OG1-OH 3.05Å
377	N	96.1	Very high	92	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.			trans	-93.3	135.4	174.1	173.1	-101.9	0	0	0	110.9	Y375 T379 N454 H460 V464	Y375-N377 HydrophobicContact CE1-CB 4.06Å; Y375-N377 HydrophobicContact CE2-CB 4.39Å; Y375-N377 WeakPolarHBondContact OH-CB 3.29Å; Y375-N377 PolarHBondContact OH-ND2 3.01Å; Y375-N377 VanDerWaalsContact OH-ND2 3.11Å; N377-T379 PolarHBondContact ND2-O 3.27Å; N377-T379 VanDerWaalsContact ND2-O 3.12Å; N377-T379 PolarHBondContact OD1-O 3.01Å; N377-N454 PolarHBondContact N-O 3Å; N377-H460 PolarHBondContact O-CE1 3.04Å; N377-H460 VanDerWaalsContact O-CE1 3.31Å; N377-H460 PolarHBondContact OD1-CE1 3.44Å; N377-H460 PolarHBondContact OD1-NE2 2.87Å; N377-V464 WeakPolarHBondContact OD1-CG2 3.49Å
378	H	92.8	Very high	91.9	Very high	30 Å²	30	29.4 Å²	29.4	14%	0.139	15%	0.152	C	C	.	.			trans	-117	5.7	-178.1	-69	-89.5	0	0	0	114.4	L137 N339 T376 A674	L137-H378 HydrophobicContact CD1-CB 4.4Å; N339-H378 PolarHBondContact OD1-NE2 2.92Å; T376-H378 VanDerWaalsContact CG2-NE2 3.28Å; T376-H378 WeakPolarHBondContact CG2-NE2 3.4Å; H378-A674 WeakPolarHBondContact O-CB 3.37Å
379	T	87.8	Confident	91.8	Very high	17 Å²	17	30.9 Å²	30.9	10%	0.104	16%	0.162	C	C	.	.			trans	-150.7	143.5	-175.1	-171.2	0	0	0	0	112.8	N377 L381 A384 L385	N377-T379 PolarHBondContact ND2-O 3.27Å; N377-T379 VanDerWaalsContact ND2-O 3.12Å; N377-T379 PolarHBondContact OD1-O 3.01Å; T379-L381 PolarHBondContact OG1-N 2.94Å; T379-L381 VanDerWaalsContact OG1-N 3.16Å; T379-A384 HydrophobicContact CG2-CB 3.75Å; T379-A384 WeakPolarHBondContact OG1-CB 3.33Å; T379-L385 HydrophobicContact CG2-CD2 3.89Å; T379-L385 HydrophobicContact CG2-CG 4.49Å
380	V	84.4	Confident	91.7	Very high	21 Å²	21	31.1 Å²	31.1	13%	0.127	16%	0.163	C	C	.	.			trans	-105.7	-9	170.8	-64.2	0	0	0	0	112.3	P382 H460 I463 V464 V468 G671	V380-P382 WeakPolarHBondContact O-CD 3.43Å; V380-H460 VanDerWaalsContact CG1-CD2 3.48Å; V380-H460 WeakPolarHBondContact CG1-CD2 3.33Å; V380-I463 HydrophobicContact CB-CG2 4.31Å; V380-I463 HydrophobicContact CG1-CB 4.41Å; V380-I463 HydrophobicContact CG1-CG2 3.71Å; V380-V464 HydrophobicContact CG1-CG2 4.32Å; V380-V468 HydrophobicContact CB-CG2 4.18Å; V380-V468 HydrophobicContact CG1-CG2 4.15Å; V380-G671 VanDerWaalsContact CG2-O 3.3Å; V380-G671 WeakPolarHBondContact CG2-O 3.28Å
381	L	82.3	Confident	91.6	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.11	18%	0.181	C	C	.	.			trans	-76.8	121.2	-178.2	-67.9	178.7	0	0	0	109.9	T379 E383 A384 Y574	T379-L381 PolarHBondContact OG1-N 2.94Å; T379-L381 VanDerWaalsContact OG1-N 3.16Å; L381-E383 HydrophobicContact CB-CG 4.31Å; L381-E383 PolarHBondContact O-N 3.19Å; L381-A384 HydrophobicContact CB-CB 4.3Å; L381-A384 PolarHBondContact O-N 3.41Å; L381-Y574 HydrophobicContact CD1-CD1 3.93Å; L381-Y574 HydrophobicContact CD1-CE1 4.18Å
382	P	76.1	Confident	91.5	Very high	91 Å²	91	29.2 Å²	29.2	59%	0.591	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-56.7	-35.2	-178.2	-26.2	34.7	0	0	0	113.6	V380 A384 L385	V380-P382 WeakPolarHBondContact O-CD 3.43Å; P382-A384 PolarHBondContact O-N 3.33Å; P382-L385 PolarHBondContact O-N 2.96Å
383	E	73.8	Confident	91.4	Very high	95 Å²	95	29.3 Å²	29.3	44%	0.444	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-67.1	-16.8	178.6	63.5	-96	-137.1	0	0	114.3	L381 R771	L381-E383 HydrophobicContact CB-CG 4.31Å; L381-E383 PolarHBondContact O-N 3.19Å; E383-R771 VanDerWaalsContact CD-NH2 3.29Å; E383-R771 IonicContact OE1-CZ 3.03Å; E383-R771 VanDerWaalsContact OE1-CZ 3.24Å; E383-R771 IonicContact OE1-NH1 3.85Å; E383-R771 PolarHBondContact OE1-NH1 3.07Å; E383-R771 IonicContact OE1-NH2 2.8Å; E383-R771 PolarHBondContact OE1-NH2 3.18Å; E383-R771 IonicContact OE2-NH2 3.45Å; E383-R771 PolarHBondContact OE2-NH2 3.12Å
384	A	81.1	Confident	91.4	Very high	48 Å²	48	34.6 Å²	34.6	40%	0.397	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-97.8	-6.8	-179.4	0	0	0	0	0	112.9	T379 L381 P382	T379-A384 HydrophobicContact CG2-CB 3.75Å; T379-A384 WeakPolarHBondContact OG1-CB 3.33Å; L381-A384 HydrophobicContact CB-CB 4.3Å; L381-A384 PolarHBondContact O-N 3.41Å; P382-A384 PolarHBondContact O-N 3.33Å
385	L	86.9	Confident	91.3	Very high	16 Å²	16	40 Å²	40	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-82.1	128.1	174.5	-64.3	176	0	0	0	109.7	T379 P382 R387 A443 V468 F469	T379-L385 HydrophobicContact CG2-CD2 3.89Å; T379-L385 HydrophobicContact CG2-CG 4.49Å; P382-L385 PolarHBondContact O-N 2.96Å; L385-R387 WeakPolarHBondContact O-CG 3.34Å; L385-R387 PolarHBondContact O-N 3.31Å; L385-A443 HydrophobicContact CD2-CB 4.2Å; L385-V468 HydrophobicContact CD1-CG1 4.48Å; L385-F469 HydrophobicContact CD2-CZ 4.5Å
386	E	92.1	Very high	91.2	Very high	28 Å²	28	40 Å²	40	13%	0.131	21%	0.208	C	C	.	.			trans	-73	126.4	-174.4	-67.6	-178.7	126.6	0	0	112.7	T341 H342 M442	T341-E386 WeakPolarHBondContact CB-OE2 3.23Å; T341-E386 WeakPolarHBondContact OG1-CG 3.49Å; T341-E386 PolarHBondContact OG1-OE2 3.43Å; H342-E386 WeakPolarHBondContact CA-OE2 3.48Å; H342-E386 IonicContact CD2-OE1 3.49Å; H342-E386 PolarHBondContact CD2-OE1 3.21Å; H342-E386 IonicContact CD2-OE2 2.72Å; H342-E386 PolarHBondContact CD2-OE2 3.16Å; H342-E386 PolarHBondContact N-OE2 3.05Å; H342-E386 VanDerWaalsContact N-OE2 3.17Å; E386-M442 HydrophobicContact CB-CB 4.18Å; E386-M442 HydrophobicContact CB-CG 4.02Å; E386-M442 WeakPolarHBondContact O-CG 3.35Å; E386-M442 PolarHBondContact O-N 3.18Å; E386-M442 VanDerWaalsContact O-N 3.16Å
387	R	93.4	Very high	91.2	Very high	63 Å²	63	40 Å²	40	24%	0.238	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	90	-178.3	-50.5	-160.2	168	-78.4	5.8	110.5	L385 E433 R439 I440 N441	L385-R387 WeakPolarHBondContact O-CG 3.34Å; L385-R387 PolarHBondContact O-N 3.31Å; R387-E433 VanDerWaalsContact CD-OE2 3.25Å; R387-E433 WeakPolarHBondContact CD-OE2 3.44Å; R387-E433 IonicContact CZ-OE1 2.73Å; R387-E433 IonicContact CZ-OE2 2.68Å; R387-E433 IonicContact NE-OE1 3.86Å; R387-E433 IonicContact NE-OE2 3.79Å; R387-E433 IonicContact NH1-OE1 2.66Å; R387-E433 PolarHBondContact NH1-OE1 2.99Å; R387-E433 IonicContact NH1-OE2 3.75Å; R387-E433 PolarHBondContact NH1-OE2 3.11Å; R387-E433 IonicContact NH2-OE1 2.87Å; R387-E433 PolarHBondContact NH2-OE1 2.87Å; R387-R439 HydrophobicContact CB-CB 4.26Å; R387-I440 WeakPolarHBondContact CA-O 3.48Å; R387-N441 VanDerWaalsContact CZ-ND2 3.3Å; R387-N441 PolarHBondContact NH1-ND2 3.06Å; R387-N441 PolarHBondContact NH1-OD1 2.95Å; R387-N441 PolarHBondContact NH2-ND2 3.37Å
388	W	95.6	Very high	91.4	Very high	20 Å²	20	40.9 Å²	40.9	8%	0.076	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129	-175.8	-72	119.4	0	0	0	111.1	K290 R293 L294 E297 V390 L392 V393 R439 I440	K290-W388 HydrophobicContact CB-CZ3 3.99Å; K290-W388 HydrophobicContact CG-CZ3 4.45Å; K290-W388 WeakPolarHBondContact O-CZ3 3.48Å; R293-W388 HydrophobicContact CB-CH2 3.92Å; R293-W388 HydrophobicContact CG-CH2 3.69Å; R293-W388 HydrophobicContact CG-CZ2 3.86Å; L294-W388 HydrophobicContact CB-CH2 4.31Å; L294-W388 HydrophobicContact CB-CZ2 4.34Å; L294-W388 HydrophobicContact CB-CZ3 4.39Å; L294-W388 HydrophobicContact CD1-CD2 4.06Å; L294-W388 HydrophobicContact CD1-CG 4.14Å; L294-W388 HydrophobicContact CD1-CZ2 4.44Å; E297-W388 PolarHBondContact OE2-NE1 2.98Å; E297-W388 VanDerWaalsContact OE2-NE1 3.11Å; W388-V390 PolarHBondContact O-N 2.92Å; W388-L392 HydrophobicContact CE3-CD2 3.86Å; W388-L392 HydrophobicContact CZ3-CD2 4.08Å; W388-V393 HydrophobicContact CB-CG2 3.84Å; W388-R439 CarbonylContact O-C 3.58Å; W388-R439 VanDerWaalsContact O-CA 3.24Å; W388-R439 WeakPolarHBondContact O-CA 3.45Å; W388-I440 PolarHBondContact N-O 3.27Å; W388-I440 PolarHBondContact O-N 3.16Å
389	P	96.1	Very high	91.6	Very high	35 Å²	35	40.3 Å²	40.3	23%	0.227	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	133.8	172.3	-23.5	34.1	0	0	0	111	D391 L392 V393	P389-D391 VanDerWaalsContact C-N 3.32Å; P389-D391 PolarHBondContact O-N 3.47Å; P389-L392 HydrophobicContact CB-CB 4.3Å; P389-L392 WeakPolarHBondContact O-CB 3.46Å; P389-L392 PolarHBondContact O-N 3.26Å; P389-L392 VanDerWaalsContact O-N 3.17Å; P389-V393 PolarHBondContact O-N 2.99Å
390	V	97.5	Very high	92.2	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-57.5	-45.5	-179.1	163.8	0	0	0	0	111.1	W388 L392 V393 E394 L401 Y405 K438 I440	W388-V390 PolarHBondContact O-N 2.92Å; V390-L392 PolarHBondContact O-N 3.35Å; V390-V393 CarbonylContact O-C 3.59Å; V390-V393 PolarHBondContact O-N 3.17Å; V390-E394 WeakPolarHBondContact O-CB 3.35Å; V390-E394 PolarHBondContact O-N 3.4Å; V390-L401 HydrophobicContact CG1-CD1 4.25Å; V390-L401 HydrophobicContact CG1-CD2 4.02Å; V390-Y405 VanDerWaalsContact CG1-OH 3.26Å; V390-Y405 WeakPolarHBondContact CG1-OH 3.43Å; V390-K438 HydrophobicContact CB-CB 3.92Å; V390-K438 HydrophobicContact CG2-CB 3.75Å; V390-K438 PolarHBondContact N-O 2.79Å; V390-I440 HydrophobicContact CG2-CG1 3.92Å
391	D	95.8	Very high	92.8	Very high	118 Å²	118	39 Å²	39	63%	0.631	20%	0.203	S	C	*	.	H	α-helix	trans	-58.5	-33.6	-179	-51.7	-11.9	0	0	0	112.7	P389 K395	P389-D391 VanDerWaalsContact C-N 3.32Å; P389-D391 PolarHBondContact O-N 3.47Å; D391-K395 WeakPolarHBondContact O-CB 3.4Å; D391-K395 PolarHBondContact O-N 2.81Å; D391-K395 VanDerWaalsContact O-N 3.07Å
392	L	96.1	Very high	93.6	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-69.7	-44.5	176.6	178.3	64.4	0	0	0	110.9	F287 K290 E291 L294 W388 P389 V390 K395 L396	F287-L392 HydrophobicContact CE2-CD1 4.06Å; F287-L392 HydrophobicContact CZ-CD1 3.76Å; K290-L392 HydrophobicContact CB-CD2 4.33Å; E291-L392 HydrophobicContact CB-CD1 3.87Å; E291-L392 HydrophobicContact CG-CD1 4.02Å; L294-L392 HydrophobicContact CD2-CD2 4.1Å; L294-L392 HydrophobicContact CD2-CG 3.96Å; W388-L392 HydrophobicContact CE3-CD2 3.86Å; W388-L392 HydrophobicContact CZ3-CD2 4.08Å; P389-L392 HydrophobicContact CB-CB 4.3Å; P389-L392 WeakPolarHBondContact O-CB 3.46Å; P389-L392 PolarHBondContact O-N 3.26Å; P389-L392 VanDerWaalsContact O-N 3.17Å; V390-L392 PolarHBondContact O-N 3.35Å; L392-K395 PolarHBondContact O-N 2.86Å; L392-L396 WeakPolarHBondContact O-CB 3.25Å; L392-L396 PolarHBondContact O-N 3.31Å
393	V	97.8	Very high	94.7	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-69.1	-38.2	178.2	-176.6	0	0	0	0	110.7	L294 W388 P389 V390 L396 L397 L401 I440	L294-V393 HydrophobicContact CD2-CG2 3.99Å; W388-V393 HydrophobicContact CB-CG2 3.84Å; P389-V393 PolarHBondContact O-N 2.99Å; V390-V393 CarbonylContact O-C 3.59Å; V390-V393 PolarHBondContact O-N 3.17Å; V393-L396 PolarHBondContact O-N 3.02Å; V393-L397 HydrophobicContact CG1-CB 4.35Å; V393-L397 CarbonylContact O-C 3.51Å; V393-L397 WeakPolarHBondContact O-CA 3.32Å; V393-L397 PolarHBondContact O-N 3.2Å; V393-L401 HydrophobicContact CG1-CB 4.27Å; V393-I440 HydrophobicContact CB-CD1 3.98Å; V393-I440 HydrophobicContact CG1-CD1 3.9Å; V393-I440 HydrophobicContact CG2-CD1 3.83Å
394	E	97.8	Very high	95.9	Very high	110 Å²	110	32 Å²	32	51%	0.514	16%	0.162	S	C	.	.	H	α-helix	trans	-58.7	-48	174.8	-173.1	174	-162.4	0	0	111.2	V390 P398 L401	V390-E394 WeakPolarHBondContact O-CB 3.35Å; V390-E394 PolarHBondContact O-N 3.4Å; E394-P398 WeakPolarHBondContact O-CA 3.27Å; E394-P398 WeakPolarHBondContact O-CB 3.34Å; E394-P398 WeakPolarHBondContact O-CD 3.5Å; E394-L401 HydrophobicContact CB-CD2 3.5Å; E394-L401 HydrophobicContact CG-CD2 3.9Å
395	K	97	Very high	96.8	Very high	114 Å²	114	33.7 Å²	33.7	50%	0.496	16%	0.158	S	C	.	.	H	α-helix	trans	-64.2	-45.3	178.5	-175.8	-174.3	176.9	-163.7	0	112	Y204 D391 L392	Y204-K395 HydrophobicContact CD1-CG 4.25Å; Y204-K395 WeakPolarHBondContact CD1-O 3.37Å; Y204-K395 HydrophobicContact CE1-CG 4.35Å; D391-K395 WeakPolarHBondContact O-CB 3.4Å; D391-K395 PolarHBondContact O-N 2.81Å; D391-K395 VanDerWaalsContact O-N 3.07Å; L392-K395 PolarHBondContact O-N 2.86Å
396	L	97.4	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-87.7	-37.3	-169.4	-170.5	68	0	0	0	113.4	F203 Y204 L294 K295 L392 V393	F203-L396 HydrophobicContact CB-CD1 4.08Å; F203-L396 HydrophobicContact CD1-CD1 3.79Å; F203-L396 HydrophobicContact CD1-CD2 4.38Å; F203-L396 HydrophobicContact CD1-CG 4.04Å; F203-L396 HydrophobicContact CG-CD1 4.31Å; Y204-L396 HydrophobicContact CD1-CD1 3.94Å; Y204-L396 HydrophobicContact CD2-CD1 4.48Å; Y204-L396 HydrophobicContact CE1-CD1 3.55Å; Y204-L396 HydrophobicContact CE2-CD1 4.16Å; Y204-L396 HydrophobicContact CG-CD1 4.39Å; Y204-L396 PolarHBondContact N-O 2.68Å; L294-L396 HydrophobicContact CB-CD2 4.12Å; L294-L396 HydrophobicContact CD2-CD2 3.77Å; L294-L396 HydrophobicContact CG-CD2 3.82Å; K295-L396 HydrophobicContact CD-CD1 4.39Å; K295-L396 HydrophobicContact CG-CD1 3.91Å; K295-L396 HydrophobicContact CG-CD2 3.74Å; K295-L396 HydrophobicContact CG-CG 4.44Å; L392-L396 WeakPolarHBondContact O-CB 3.25Å; L392-L396 PolarHBondContact O-N 3.31Å; V393-L396 PolarHBondContact O-N 3.02Å
397	L	98.6	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.			trans	-140	59.2	-169.5	-59.1	176.1	0	0	0	110.7	F203 W216 Y298 L345 V393 R399 H400 L401	F203-L397 HydrophobicContact CD1-CD2 4.43Å; W216-L397 HydrophobicContact CH2-CD2 3.83Å; W216-L397 HydrophobicContact CZ2-CD2 4.3Å; Y298-L397 HydrophobicContact CD1-CD2 3.42Å; Y298-L397 VanDerWaalsContact CD1-CD2 3.42Å; Y298-L397 HydrophobicContact CD2-CD1 3.95Å; Y298-L397 HydrophobicContact CD2-CD2 4.03Å; Y298-L397 HydrophobicContact CE1-CD2 3.64Å; Y298-L397 HydrophobicContact CE2-CD2 4.25Å; Y298-L397 HydrophobicContact CG-CD1 3.85Å; Y298-L397 HydrophobicContact CG-CD2 3.62Å; Y298-L397 HydrophobicContact CG-CG 4.41Å; L345-L397 HydrophobicContact CD1-CD1 3.74Å; L345-L397 HydrophobicContact CD2-CD1 4.3Å; V393-L397 HydrophobicContact CG1-CB 4.35Å; V393-L397 CarbonylContact O-C 3.51Å; V393-L397 WeakPolarHBondContact O-CA 3.32Å; V393-L397 PolarHBondContact O-N 3.2Å; L397-R399 VanDerWaalsContact C-N 3.26Å; L397-R399 PolarHBondContact O-N 3.48Å; L397-H400 HydrophobicContact CB-CB 3.99Å; L397-H400 PolarHBondContact O-N 2.84Å; L397-L401 PolarHBondContact O-N 3.37Å; L397-L401 VanDerWaalsContact O-N 3.12Å
398	P	98.6	Very high	97.9	Very high	20 Å²	20	33 Å²	33	13%	0.13	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-35.5	-170.3	23.3	-34.4	0	0	0	112.7	V207 E394 L401 E402	V207-P398 HydrophobicContact CG2-CB 4.06Å; V207-P398 HydrophobicContact CG2-CG 4.34Å; E394-P398 WeakPolarHBondContact O-CA 3.27Å; E394-P398 WeakPolarHBondContact O-CB 3.34Å; E394-P398 WeakPolarHBondContact O-CD 3.5Å; P398-L401 PolarHBondContact O-N 2.92Å; P398-E402 PolarHBondContact O-N 2.86Å
399	R	98.6	Very high	98	Very high	18 Å²	18	36.8 Å²	36.8	7%	0.068	18%	0.176	C	C	.	.	H	α-helix	trans	-68.3	-38	177.7	-176.6	55	-174.2	139.9	6	112.5	V207 W216 R352 D356 L397 L401 E402 I403	V207-R399 HydrophobicContact CG2-CB 3.87Å; W216-R399 HydrophobicContact CB-CB 4.26Å; W216-R399 HydrophobicContact CD2-CB 4.44Å; W216-R399 HydrophobicContact CG-CB 4.19Å; R352-R399 HydrophobicContact CG-CG 3.98Å; D356-R399 IonicContact OD1-CZ 2.65Å; D356-R399 IonicContact OD1-NE 3.84Å; D356-R399 PolarHBondContact OD1-NE 2.97Å; D356-R399 IonicContact OD1-NH2 3.82Å; D356-R399 PolarHBondContact OD1-NH2 3.35Å; D356-R399 IonicContact OD2-CZ 3.35Å; D356-R399 IonicContact OD2-NE 2.93Å; D356-R399 PolarHBondContact OD2-NE 3.19Å; D356-R399 IonicContact OD2-NH2 2.8Å; L397-R399 VanDerWaalsContact C-N 3.26Å; L397-R399 PolarHBondContact O-N 3.48Å; R399-L401 VanDerWaalsContact C-N 3.3Å; R399-E402 IonicContact CZ-OE2 3.29Å; R399-E402 IonicContact NH1-OE2 3.18Å; R399-E402 PolarHBondContact NH1-OE2 3.09Å; R399-E402 PolarHBondContact O-N 2.87Å; R399-I403 HydrophobicContact CG-CD1 4.23Å; R399-I403 WeakPolarHBondContact O-CG1 3.17Å; R399-I403 PolarHBondContact O-N 3.01Å; R399-I403 VanDerWaalsContact O-N 3.15Å
400	H	98.8	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-35.5	177.9	-58.4	73.5	0	0	0	111.2	W216 Y298 P348 E349 L397 I403 I404	W216-H400 AromaticContact CZ3-CE1 3.72Å; Y298-H400 AromaticContact CE2-CD2 3.9Å; Y298-H400 AromaticContact CE2-CE1 3.52Å; Y298-H400 AromaticContact CE2-NE2 3.18Å; Y298-H400 WeakPolarHBondContact CE2-NE2 3.49Å; Y298-H400 AromaticContact CZ-CE1 3.46Å; Y298-H400 VanDerWaalsContact CZ-CE1 3.46Å; Y298-H400 AromaticContact CZ-NE2 3.54Å; Y298-H400 PolarHBondContact OH-CE1 3.15Å; Y298-H400 PolarHBondContact OH-NE2 2.81Å; P348-H400 HydrophobicContact CB-CB 4.41Å; E349-H400 IonicContact OE2-CD2 3.54Å; E349-H400 IonicContact OE2-CE1 2.73Å; E349-H400 PolarHBondContact OE2-CE1 3.01Å; E349-H400 IonicContact OE2-NE2 3.95Å; E349-H400 PolarHBondContact OE2-NE2 2.87Å; L397-H400 HydrophobicContact CB-CB 3.99Å; L397-H400 PolarHBondContact O-N 2.84Å; H400-I403 PolarHBondContact O-N 3.11Å; H400-I404 WeakPolarHBondContact O-CB 3.33Å; H400-I404 WeakPolarHBondContact O-CD1 3.38Å; H400-I404 WeakPolarHBondContact O-CG1 3.3Å; H400-I404 PolarHBondContact O-N 2.7Å
401	L	98.8	Very high	98.1	Very high	10 Å²	10	40 Å²	40	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-46.2	174.4	-177.4	60.8	0	0	0	111.8	V390 V393 E394 L397 P398 R399 I403 I404 Y405 I440	V390-L401 HydrophobicContact CG1-CD1 4.25Å; V390-L401 HydrophobicContact CG1-CD2 4.02Å; V393-L401 HydrophobicContact CG1-CB 4.27Å; E394-L401 HydrophobicContact CB-CD2 3.5Å; E394-L401 HydrophobicContact CG-CD2 3.9Å; L397-L401 PolarHBondContact O-N 3.37Å; L397-L401 VanDerWaalsContact O-N 3.12Å; P398-L401 PolarHBondContact O-N 2.92Å; R399-L401 VanDerWaalsContact C-N 3.3Å; L401-I403 VanDerWaalsContact C-N 3.3Å; L401-I403 PolarHBondContact O-N 2.88Å; L401-I404 PolarHBondContact O-N 3.42Å; L401-Y405 HydrophobicContact CD1-CD2 4.02Å; L401-Y405 HydrophobicContact CD1-CE1 4.47Å; L401-Y405 HydrophobicContact CD1-CE2 3.55Å; L401-Y405 HydrophobicContact CD2-CE2 3.88Å; L401-Y405 HydrophobicContact CG-CD2 3.85Å; L401-Y405 HydrophobicContact CG-CE2 3.47Å; L401-Y405 VanDerWaalsContact CG-CE2 3.47Å; L401-Y405 WeakPolarHBondContact O-CD2 3.36Å; L401-Y405 PolarHBondContact O-N 3.33Å; L401-I440 HydrophobicContact CD1-CD1 3.82Å
402	E	98.7	Very high	98.2	Very high	61 Å²	61	35.8 Å²	35.8	29%	0.285	16%	0.164	S	C	.	.	H	α-helix	trans	-57.5	-43.3	174.2	-70.1	-175.1	166.6	0	0	112	H209 P398 R399 Y405 E406	H209-E402 IonicContact CE1-OE1 3.78Å; H209-E402 PolarHBondContact CE1-OE1 2.73Å; H209-E402 IonicContact CE1-OE2 3.82Å; H209-E402 PolarHBondContact CE1-OE2 3.44Å; H209-E402 IonicContact NE2-OE1 2.95Å; H209-E402 PolarHBondContact NE2-OE1 3.33Å; H209-E402 IonicContact NE2-OE2 3.47Å; P398-E402 PolarHBondContact O-N 2.86Å; R399-E402 IonicContact CZ-OE2 3.29Å; R399-E402 IonicContact NH1-OE2 3.18Å; R399-E402 PolarHBondContact NH1-OE2 3.09Å; R399-E402 PolarHBondContact O-N 2.87Å; E402-Y405 PolarHBondContact O-N 3.34Å; E402-E406 PolarHBondContact O-N 3.43Å
403	I	98.9	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-42.6	177.5	-69	170	0	0	0	110.9	P348 M351 R352 W362 R399 H400 L401 E406 I407	P348-I403 HydrophobicContact CB-CB 4.37Å; P348-I403 HydrophobicContact CB-CG2 3.76Å; M351-I403 HydrophobicContact CB-CG2 3.86Å; R352-I403 HydrophobicContact CB-CD1 3.57Å; R352-I403 HydrophobicContact CG-CD1 4.03Å; W362-I403 HydrophobicContact CH2-CB 4.36Å; W362-I403 HydrophobicContact CH2-CG2 3.84Å; W362-I403 HydrophobicContact CZ3-CG1 4.31Å; W362-I403 HydrophobicContact CZ3-CG2 4.29Å; R399-I403 HydrophobicContact CG-CD1 4.23Å; R399-I403 WeakPolarHBondContact O-CG1 3.17Å; R399-I403 PolarHBondContact O-N 3.01Å; R399-I403 VanDerWaalsContact O-N 3.15Å; H400-I403 PolarHBondContact O-N 3.11Å; L401-I403 VanDerWaalsContact C-N 3.3Å; L401-I403 PolarHBondContact O-N 2.88Å; I403-E406 PolarHBondContact O-N 2.87Å; I403-I407 HydrophobicContact CG2-CD1 3.91Å; I403-I407 HydrophobicContact CG2-CG1 4.49Å; I403-I407 VanDerWaalsContact O-CG1 3.26Å; I403-I407 WeakPolarHBondContact O-CG1 3.3Å; I403-I407 PolarHBondContact O-N 2.9Å
404	I	98.9	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-41.4	177.7	-70.9	163.7	0	0	0	110.6	P348 H400 L401 I407 N408 L431 I432 I440 L445	P348-I404 HydrophobicContact CB-CG1 4.09Å; P348-I404 HydrophobicContact CG-CD1 4.27Å; P348-I404 HydrophobicContact CG-CG1 4.18Å; H400-I404 WeakPolarHBondContact O-CB 3.33Å; H400-I404 WeakPolarHBondContact O-CD1 3.38Å; H400-I404 WeakPolarHBondContact O-CG1 3.3Å; H400-I404 PolarHBondContact O-N 2.7Å; L401-I404 PolarHBondContact O-N 3.42Å; I404-I407 PolarHBondContact O-N 3.32Å; I404-N408 WeakPolarHBondContact O-CB 3.44Å; I404-N408 PolarHBondContact O-N 3.39Å; I404-L431 HydrophobicContact CG2-CD2 4.45Å; I404-I432 HydrophobicContact CG2-CD1 4.25Å; I404-I440 HydrophobicContact CD1-CD1 3.98Å; I404-I440 HydrophobicContact CD1-CG2 4.5Å; I404-I440 HydrophobicContact CG2-CD1 4.39Å; I404-I440 HydrophobicContact CG2-CG2 3.99Å; I404-L445 HydrophobicContact CD1-CD2 4.36Å; I404-L445 HydrophobicContact CG1-CD2 4.33Å
405	Y	98.8	Very high	98.1	Very high	83 Å²	83	38.4 Å²	38.4	33%	0.325	18%	0.177	S	C	.	.	H	α-helix	trans	-63.3	-42	174.9	-76.4	-46.8	0	0	0	112.4	V390 L401 E402 N408 Q409 I432	V390-Y405 VanDerWaalsContact CG1-OH 3.26Å; V390-Y405 WeakPolarHBondContact CG1-OH 3.43Å; L401-Y405 HydrophobicContact CD1-CD2 4.02Å; L401-Y405 HydrophobicContact CD1-CE1 4.47Å; L401-Y405 HydrophobicContact CD1-CE2 3.55Å; L401-Y405 HydrophobicContact CD2-CE2 3.88Å; L401-Y405 HydrophobicContact CG-CD2 3.85Å; L401-Y405 HydrophobicContact CG-CE2 3.47Å; L401-Y405 VanDerWaalsContact CG-CE2 3.47Å; L401-Y405 WeakPolarHBondContact O-CD2 3.36Å; L401-Y405 PolarHBondContact O-N 3.33Å; E402-Y405 PolarHBondContact O-N 3.34Å; Y405-N408 PolarHBondContact O-N 2.89Å; Y405-Q409 WeakPolarHBondContact O-CB 3.42Å; Y405-Q409 PolarHBondContact O-N 3.1Å; Y405-I432 HydrophobicContact CD1-CD1 4.02Å; Y405-I432 HydrophobicContact CD1-CG1 3.94Å; Y405-I432 HydrophobicContact CE1-CD1 3.69Å; Y405-I432 HydrophobicContact CE1-CG1 3.73Å; Y405-I432 HydrophobicContact CE1-CG2 4.42Å
406	E	98.6	Very high	98.1	Very high	73 Å²	73	36.2 Å²	36.2	34%	0.341	17%	0.173	S	C	.	.	H	α-helix	trans	-65	-40.4	175.9	-176.4	67.9	-169.4	0	0	111.8	W362 E402 I403 N408 Q409 K410	W362-E406 HydrophobicContact CD2-CG 4.15Å; W362-E406 HydrophobicContact CE3-CG 4.29Å; W362-E406 HydrophobicContact CH2-CB 3.63Å; W362-E406 HydrophobicContact CH2-CG 3.54Å; W362-E406 HydrophobicContact CZ2-CB 3.82Å; W362-E406 HydrophobicContact CZ2-CG 3.38Å; W362-E406 HydrophobicContact CZ3-CB 4.3Å; W362-E406 HydrophobicContact CZ3-CG 4.01Å; E402-E406 PolarHBondContact O-N 3.43Å; I403-E406 PolarHBondContact O-N 2.87Å; E406-N408 VanDerWaalsContact C-N 3.34Å; E406-Q409 PolarHBondContact O-N 3.24Å; E406-K410 WeakPolarHBondContact O-CG 3.48Å; E406-K410 PolarHBondContact O-N 3.25Å; E406-K410 VanDerWaalsContact O-N 3.07Å; E406-K410 WeakPolarHBondContact OE1-CE 3.48Å; E406-K410 IonicContact OE1-NZ 2.62Å; E406-K410 PolarHBondContact OE1-NZ 3.43Å
407	I	98.8	Very high	98	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-47.7	172.2	-69.3	166.1	0	0	0	109.9	I347 W362 W366 I403 I404 H411 L431 L445 V448	I347-I407 HydrophobicContact CG2-CD1 4.35Å; W362-I407 HydrophobicContact CH2-CG1 4.17Å; W362-I407 HydrophobicContact CZ2-CG1 3.84Å; W366-I407 HydrophobicContact CE3-CD1 4.37Å; W366-I407 HydrophobicContact CE3-CG1 4.25Å; W366-I407 HydrophobicContact CH2-CD1 4.02Å; W366-I407 HydrophobicContact CH2-CG1 4.05Å; W366-I407 HydrophobicContact CH2-CG2 3.72Å; W366-I407 HydrophobicContact CZ2-CG2 4.13Å; W366-I407 HydrophobicContact CZ3-CD1 3.59Å; W366-I407 HydrophobicContact CZ3-CG1 3.78Å; W366-I407 HydrophobicContact CZ3-CG2 4.33Å; I403-I407 HydrophobicContact CG2-CD1 3.91Å; I403-I407 HydrophobicContact CG2-CG1 4.49Å; I403-I407 VanDerWaalsContact O-CG1 3.26Å; I403-I407 WeakPolarHBondContact O-CG1 3.3Å; I403-I407 PolarHBondContact O-N 2.9Å; I404-I407 PolarHBondContact O-N 3.32Å; I407-H411 VanDerWaalsContact O-CB 3.28Å; I407-H411 WeakPolarHBondContact O-CB 3.24Å; I407-H411 PolarHBondContact O-N 2.78Å; I407-L431 HydrophobicContact CG2-CD2 3.86Å; I407-L445 HydrophobicContact CD1-CD1 4.23Å; I407-L445 HydrophobicContact CG2-CD1 4.5Å; I407-V448 HydrophobicContact CG2-CG1 3.94Å
408	N	98.7	Very high	97.8	Very high	14 Å²	14	44.5 Å²	44.5	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-46.6	-179.9	-169.7	50.9	0	0	0	111.5	I404 Y405 E406 K410 H411 L412 S430 L431	I404-N408 WeakPolarHBondContact O-CB 3.44Å; I404-N408 PolarHBondContact O-N 3.39Å; Y405-N408 PolarHBondContact O-N 2.89Å; E406-N408 VanDerWaalsContact C-N 3.34Å; N408-K410 PolarHBondContact O-N 3.24Å; N408-H411 WeakPolarHBondContact O-CB 3.11Å; N408-H411 PolarHBondContact O-N 3.02Å; N408-L412 WeakPolarHBondContact O-CB 3.38Å; N408-L412 VanDerWaalsContact O-CG 3.31Å; N408-L412 WeakPolarHBondContact O-CG 3.47Å; N408-L412 PolarHBondContact O-N 3.43Å; N408-S430 PolarHBondContact ND2-OG 3.42Å; N408-S430 PolarHBondContact OD1-OG 2.87Å; N408-L431 HydrophobicContact CB-CB 4.15Å; N408-L431 PolarHBondContact OD1-N 3.43Å
409	Q	98.4	Very high	97.6	Very high	100 Å²	100	46.7 Å²	46.7	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-58.7	-52.2	179.7	-175.5	62.2	50.5	0	0	110.9	Y405 E406 H411 L412 D413	Y405-Q409 WeakPolarHBondContact O-CB 3.42Å; Y405-Q409 PolarHBondContact O-N 3.1Å; E406-Q409 PolarHBondContact O-N 3.24Å; Q409-H411 VanDerWaalsContact C-N 3.28Å; Q409-H411 PolarHBondContact O-N 3.03Å; Q409-L412 PolarHBondContact O-N 2.78Å; Q409-D413 PolarHBondContact NE2-OD1 2.75Å; Q409-D413 PolarHBondContact O-N 2.92Å
410	K	98	Very high	97.2	Very high	93 Å²	93	50.5 Å²	50.5	40%	0.404	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-34.5	178.8	-66.6	-166	-167	-50.2	0	112.8	E406 N408 K414	E406-K410 WeakPolarHBondContact O-CG 3.48Å; E406-K410 PolarHBondContact O-N 3.25Å; E406-K410 VanDerWaalsContact O-N 3.07Å; E406-K410 WeakPolarHBondContact OE1-CE 3.48Å; E406-K410 IonicContact OE1-NZ 2.62Å; E406-K410 PolarHBondContact OE1-NZ 3.43Å; N408-K410 PolarHBondContact O-N 3.24Å; K410-K414 PolarHBondContact O-N 3.11Å
411	H	97.8	Very high	96.8	Very high	16 Å²	16	60.1 Å²	60.1	7%	0.074	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-51.7	173.9	176.7	64.1	0	0	0	110.8	I407 N408 Q409 D413 K414 I415 M429 V448 F472	I407-H411 VanDerWaalsContact O-CB 3.28Å; I407-H411 WeakPolarHBondContact O-CB 3.24Å; I407-H411 PolarHBondContact O-N 2.78Å; N408-H411 WeakPolarHBondContact O-CB 3.11Å; N408-H411 PolarHBondContact O-N 3.02Å; Q409-H411 VanDerWaalsContact C-N 3.28Å; Q409-H411 PolarHBondContact O-N 3.03Å; H411-D413 VanDerWaalsContact C-N 3.34Å; H411-D413 PolarHBondContact O-N 3.38Å; H411-K414 WeakPolarHBondContact O-CB 3.49Å; H411-K414 PolarHBondContact O-N 2.8Å; H411-K414 VanDerWaalsContact O-N 3.12Å; H411-I415 WeakPolarHBondContact O-CG1 3.44Å; H411-I415 PolarHBondContact O-N 2.72Å; H411-M429 PolarHBondContact NE2-O 2.88Å; H411-V448 HydrophobicContact CB-CG1 4.23Å; H411-F472 AromaticContact CE1-CE1 3.96Å; H411-F472 AromaticContact NE2-CE1 3.71Å
412	L	97.6	Very high	96.5	Very high	28 Å²	28	62.1 Å²	62.1	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-36.6	-179.5	-67	179.5	0	0	0	112	N408 Q409 K414 I415 V416 L426	N408-L412 WeakPolarHBondContact O-CB 3.38Å; N408-L412 VanDerWaalsContact O-CG 3.31Å; N408-L412 WeakPolarHBondContact O-CG 3.47Å; N408-L412 PolarHBondContact O-N 3.43Å; Q409-L412 PolarHBondContact O-N 2.78Å; L412-K414 VanDerWaalsContact C-N 3.29Å; L412-K414 PolarHBondContact O-N 3.06Å; L412-I415 CarbonylContact O-C 3.55Å; L412-I415 WeakPolarHBondContact O-CA 3.4Å; L412-I415 WeakPolarHBondContact O-CB 3.05Å; L412-I415 PolarHBondContact O-N 3.17Å; L412-V416 WeakPolarHBondContact O-CG2 3.41Å; L412-V416 PolarHBondContact O-N 2.93Å; L412-L426 HydrophobicContact CB-CD2 4.01Å; L412-L426 HydrophobicContact CD2-CD2 3.79Å; L412-L426 WeakPolarHBondContact CD2-O 3.5Å; L412-L426 HydrophobicContact CG-CD2 4.45Å; L412-L426 WeakPolarHBondContact O-CD2 3.41Å
413	D	97	Very high	96.1	Very high	82 Å²	82	64.4 Å²	64.4	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-41.8	172.7	-67	-21.3	0	0	0	111.5	Q409 H411 V416 A417	Q409-D413 PolarHBondContact NE2-OD1 2.75Å; Q409-D413 PolarHBondContact O-N 2.92Å; H411-D413 VanDerWaalsContact C-N 3.34Å; H411-D413 PolarHBondContact O-N 3.38Å; D413-V416 PolarHBondContact O-N 3.38Å; D413-A417 WeakPolarHBondContact O-CB 3.45Å; D413-A417 PolarHBondContact O-N 3.09Å
414	K	95.9	Very high	95.9	Very high	91 Å²	91	67.9 Å²	67.9	40%	0.396	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-41.2	172.6	-179.7	-174.1	175.1	-173	0	111.1	K410 H411 L412 A417 L418 E476	K410-K414 PolarHBondContact O-N 3.11Å; H411-K414 WeakPolarHBondContact O-CB 3.49Å; H411-K414 PolarHBondContact O-N 2.8Å; H411-K414 VanDerWaalsContact O-N 3.12Å; L412-K414 VanDerWaalsContact C-N 3.29Å; L412-K414 PolarHBondContact O-N 3.06Å; K414-A417 PolarHBondContact O-N 3.41Å; K414-L418 HydrophobicContact CG-CD1 3.96Å; K414-L418 VanDerWaalsContact O-CG 3.31Å; K414-L418 WeakPolarHBondContact O-CG 3.06Å; K414-L418 PolarHBondContact O-N 2.92Å; K414-L418 VanDerWaalsContact O-N 3.12Å; K414-E476 IonicContact NZ-OE1 3.08Å; K414-E476 PolarHBondContact NZ-OE1 3.2Å
415	I	96.4	Very high	95.7	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66	-44.2	177.5	-58.1	-48.8	0	0	0	111.3	H411 L412 A417 L418 F419 R425 L426 M429 L475	H411-I415 WeakPolarHBondContact O-CG1 3.44Å; H411-I415 PolarHBondContact O-N 2.72Å; L412-I415 CarbonylContact O-C 3.55Å; L412-I415 WeakPolarHBondContact O-CA 3.4Å; L412-I415 WeakPolarHBondContact O-CB 3.05Å; L412-I415 PolarHBondContact O-N 3.17Å; I415-A417 VanDerWaalsContact C-N 3.31Å; I415-A417 PolarHBondContact O-N 3Å; I415-L418 PolarHBondContact O-N 3.47Å; I415-F419 HydrophobicContact CG2-CD2 4.23Å; I415-F419 PolarHBondContact O-N 3.37Å; I415-R425 HydrophobicContact CG2-CG 4.35Å; I415-L426 HydrophobicContact CB-CD2 3.7Å; I415-L426 HydrophobicContact CG2-CD2 3.66Å; I415-L426 HydrophobicContact CG2-CG 4.02Å; I415-M429 HydrophobicContact CD1-CE 3.76Å; I415-M429 HydrophobicContact CD1-SD 3.94Å; I415-M429 HydrophobicContact CG1-CE 4.47Å; I415-M429 HydrophobicContact CG1-SD 4.3Å; I415-M429 HydrophobicContact CG2-SD 4.38Å; I415-L475 HydrophobicContact CD1-CD2 3.51Å
416	V	96.1	Very high	95.4	Very high	68 Å²	68	66.7 Å²	66.7	41%	0.412	35%	0.349	S	S	.	.	H	α-helix	trans	-58.1	-45	175.4	174.9	0	0	0	0	110.4	L412 D413 L418 F419 P420 L426	L412-V416 WeakPolarHBondContact O-CG2 3.41Å; L412-V416 PolarHBondContact O-N 2.93Å; D413-V416 PolarHBondContact O-N 3.38Å; V416-L418 VanDerWaalsContact C-N 3.32Å; V416-L418 PolarHBondContact O-N 2.96Å; V416-F419 CarbonylContact O-C 3.51Å; V416-P420 WeakPolarHBondContact O-CA 3.33Å; V416-P420 WeakPolarHBondContact O-CB 3.25Å; V416-P420 WeakPolarHBondContact O-CD 3.34Å; V416-P420 VanDerWaalsContact O-N 3.15Å; V416-L426 HydrophobicContact CG2-CD1 3.6Å; V416-L426 HydrophobicContact CG2-CD2 3.63Å; V416-L426 HydrophobicContact CG2-CG 4.23Å
417	A	95.6	Very high	95.2	Very high	80 Å²	80	69.7 Å²	69.7	66%	0.661	36%	0.357	S	S	*	.	H	α-helix	trans	-64.4	-35.8	-179.1	0	0	0	0	0	112.8	D413 K414 I415	D413-A417 WeakPolarHBondContact O-CB 3.45Å; D413-A417 PolarHBondContact O-N 3.09Å; K414-A417 PolarHBondContact O-N 3.41Å; I415-A417 VanDerWaalsContact C-N 3.31Å; I415-A417 PolarHBondContact O-N 3Å
418	L	94.6	Very high	95	Very high	93 Å²	93	74 Å²	74	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-84.9	-34.2	-179.5	-67.4	172	0	0	0	113.1	K414 I415 V416 L475	K414-L418 HydrophobicContact CG-CD1 3.96Å; K414-L418 VanDerWaalsContact O-CG 3.31Å; K414-L418 WeakPolarHBondContact O-CG 3.06Å; K414-L418 PolarHBondContact O-N 2.92Å; K414-L418 VanDerWaalsContact O-N 3.12Å; I415-L418 PolarHBondContact O-N 3.47Å; V416-L418 VanDerWaalsContact C-N 3.32Å; V416-L418 PolarHBondContact O-N 2.96Å; L418-L475 HydrophobicContact CD1-CD1 3.51Å
419	F	94	Very high	94.9	Very high	66 Å²	66	73.4 Å²	73.4	29%	0.289	37%	0.37	S	S	.	.			trans	-132.2	64	-175.4	-51.7	-79.7	0	0	0	112	I415 V416 K421 D422 L475	I415-F419 HydrophobicContact CG2-CD2 4.23Å; I415-F419 PolarHBondContact O-N 3.37Å; V416-F419 CarbonylContact O-C 3.51Å; F419-K421 PolarHBondContact O-N 2.96Å; F419-D422 HydrophobicContact CB-CB 4.15Å; F419-D422 PolarHBondContact O-N 2.8Å; F419-D422 VanDerWaalsContact O-N 3.12Å; F419-L475 HydrophobicContact CE2-CD1 4.04Å; F419-L475 HydrophobicContact CZ-CD1 4.5Å
420	P	90.3	Very high	94.8	Very high	98 Å²	98	69.2 Å²	69.2	64%	0.636	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11	-169.8	24.5	-35.4	0	0	0	115.3	V416	V416-P420 WeakPolarHBondContact O-CA 3.33Å; V416-P420 WeakPolarHBondContact O-CB 3.25Å; V416-P420 WeakPolarHBondContact O-CD 3.34Å; V416-P420 VanDerWaalsContact O-N 3.15Å
421	K	91.6	Very high	94.8	Very high	203 Å²	203	64.8 Å²	64.8	88%	0.883	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-5	-178.8	-62.7	-177.3	179.7	179.1	0	114	F419	F419-K421 PolarHBondContact O-N 2.96Å
422	D	91.7	Very high	94.9	Very high	52 Å²	52	64.3 Å²	64.3	28%	0.278	33%	0.33	S	S	.	.			trans	-104.4	73.8	-175.8	-167.1	-9.4	0	0	0	110.8	F419 D424 R425 L426	F419-D422 HydrophobicContact CB-CB 4.15Å; F419-D422 PolarHBondContact O-N 2.8Å; F419-D422 VanDerWaalsContact O-N 3.12Å; D422-D424 VanDerWaalsContact C-N 3.29Å; D422-D424 PolarHBondContact O-N 3.24Å; D422-R425 HydrophobicContact CB-CB 3.99Å; D422-R425 PolarHBondContact O-N 3.3Å; D422-R425 VanDerWaalsContact OD1-CB 3.3Å; D422-R425 WeakPolarHBondContact OD1-CB 3.34Å; D422-R425 PolarHBondContact OD1-N 2.68Å; D422-R425 VanDerWaalsContact OD2-CB 3.27Å; D422-R425 WeakPolarHBondContact OD2-CB 3.34Å; D422-R425 IonicContact OD2-CZ 3.25Å; D422-R425 IonicContact OD2-NE 2.78Å; D422-R425 PolarHBondContact OD2-NE 3.44Å; D422-R425 IonicContact OD2-NH2 2.74Å; D422-L426 PolarHBondContact O-N 3.37Å
423	V	91.1	Very high	94.8	Very high	109 Å²	109	65.7 Å²	65.7	66%	0.661	34%	0.336	S	S	*	.	H	α-helix	trans	-65.2	-32.7	-177.8	-179.9	0	0	0	0	111.9	L426 R427	V423-L426 WeakPolarHBondContact O-CB 3.31Å; V423-L426 PolarHBondContact O-N 3.37Å; V423-R427 PolarHBondContact O-N 2.74Å
424	D	94.1	Very high	94.6	Very high	72 Å²	72	67.6 Å²	67.6	39%	0.385	34%	0.342	S	S	.	.	H	α-helix	trans	-70.7	-33.6	178.3	-166.9	55.6	0	0	0	111.3	D422 L426 R427 R428	D422-D424 VanDerWaalsContact C-N 3.29Å; D422-D424 PolarHBondContact O-N 3.24Å; D424-L426 VanDerWaalsContact C-N 3.31Å; D424-L426 PolarHBondContact O-N 3.48Å; D424-R427 WeakPolarHBondContact O-CB 3.43Å; D424-R427 PolarHBondContact O-N 2.9Å; D424-R427 VanDerWaalsContact O-N 3.15Å; D424-R427 IonicContact OD1-CZ 2.99Å; D424-R427 IonicContact OD1-NE 3.93Å; D424-R427 PolarHBondContact OD1-NE 3.1Å; D424-R427 IonicContact OD1-NH2 4Å; D424-R427 PolarHBondContact OD1-NH2 2.91Å; D424-R427 IonicContact OD2-NH2 3.42Å; D424-R428 WeakPolarHBondContact O-CG 3.34Å; D424-R428 PolarHBondContact O-N 2.92Å; D424-R428 IonicContact OD2-CZ 3.27Å; D424-R428 IonicContact OD2-NH1 2.67Å; D424-R428 PolarHBondContact OD2-NH1 2.98Å
425	R	93.7	Very high	93.9	Very high	24 Å²	24	70.4 Å²	70.4	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-59.8	-38.6	171.2	-179.9	-179.9	-64.4	-102.6	0.4	112.6	I415 D422 R427 R428 M429 D471 E474	I415-R425 HydrophobicContact CG2-CG 4.35Å; D422-R425 HydrophobicContact CB-CB 3.99Å; D422-R425 PolarHBondContact O-N 3.3Å; D422-R425 VanDerWaalsContact OD1-CB 3.3Å; D422-R425 WeakPolarHBondContact OD1-CB 3.34Å; D422-R425 PolarHBondContact OD1-N 2.68Å; D422-R425 VanDerWaalsContact OD2-CB 3.27Å; D422-R425 WeakPolarHBondContact OD2-CB 3.34Å; D422-R425 IonicContact OD2-CZ 3.25Å; D422-R425 IonicContact OD2-NE 2.78Å; D422-R425 PolarHBondContact OD2-NE 3.44Å; D422-R425 IonicContact OD2-NH2 2.74Å; R425-R427 VanDerWaalsContact C-N 3.31Å; R425-R427 PolarHBondContact O-N 2.87Å; R425-R428 PolarHBondContact O-N 2.86Å; R425-M429 HydrophobicContact CG-CG 4.02Å; R425-M429 HydrophobicContact CG-SD 3.49Å; R425-M429 WeakPolarHBondContact CG-SD 3.45Å; R425-M429 WeakPolarHBondContact O-CB 3.32Å; R425-M429 VanDerWaalsContact O-CG 3.31Å; R425-M429 WeakPolarHBondContact O-CG 3.3Å; R425-M429 PolarHBondContact O-N 2.66Å; R425-D471 IonicContact CZ-OD1 3.95Å; R425-D471 IonicContact NH1-OD1 3.38Å; R425-D471 PolarHBondContact NH1-OD1 3.35Å; R425-D471 IonicContact NH2-OD1 2.76Å; R425-E474 IonicContact CZ-OE2 3.97Å; R425-E474 IonicContact NH1-OE2 2.64Å; R425-E474 PolarHBondContact NH1-OE2 3.48Å; R425-E474 IonicContact NH2-OE2 3.71Å; R425-E474 PolarHBondContact NH2-OE2 3.01Å
426	L	93.5	Very high	93.3	Very high	35 Å²	35	74.8 Å²	74.8	18%	0.183	40%	0.402	C	S	.	.	H	α-helix	trans	-57.1	-46.6	173.6	-77.9	159.8	0	0	0	111.5	L412 I415 V416 D422 V423 D424 M429 S430	L412-L426 HydrophobicContact CB-CD2 4.01Å; L412-L426 HydrophobicContact CD2-CD2 3.79Å; L412-L426 WeakPolarHBondContact CD2-O 3.5Å; L412-L426 HydrophobicContact CG-CD2 4.45Å; L412-L426 WeakPolarHBondContact O-CD2 3.41Å; I415-L426 HydrophobicContact CB-CD2 3.7Å; I415-L426 HydrophobicContact CG2-CD2 3.66Å; I415-L426 HydrophobicContact CG2-CG 4.02Å; V416-L426 HydrophobicContact CG2-CD1 3.6Å; V416-L426 HydrophobicContact CG2-CD2 3.63Å; V416-L426 HydrophobicContact CG2-CG 4.23Å; D422-L426 PolarHBondContact O-N 3.37Å; V423-L426 WeakPolarHBondContact O-CB 3.31Å; V423-L426 PolarHBondContact O-N 3.37Å; D424-L426 VanDerWaalsContact C-N 3.31Å; D424-L426 PolarHBondContact O-N 3.48Å; L426-M429 PolarHBondContact O-N 2.86Å; L426-S430 PolarHBondContact O-N 2.79Å; L426-S430 VanDerWaalsContact O-N 3.09Å
427	R	93.5	Very high	93	Very high	136 Å²	136	74 Å²	74	51%	0.513	40%	0.399	S	S	.	.	H	α-helix	trans	-62.5	-45.1	177.5	-171.9	-176.6	68.3	100.1	-0.8	111.6	V423 D424 R425 M429 E435	V423-R427 PolarHBondContact O-N 2.74Å; D424-R427 WeakPolarHBondContact O-CB 3.43Å; D424-R427 PolarHBondContact O-N 2.9Å; D424-R427 VanDerWaalsContact O-N 3.15Å; D424-R427 IonicContact OD1-CZ 2.99Å; D424-R427 IonicContact OD1-NE 3.93Å; D424-R427 PolarHBondContact OD1-NE 3.1Å; D424-R427 IonicContact OD1-NH2 4Å; D424-R427 PolarHBondContact OD1-NH2 2.91Å; D424-R427 IonicContact OD2-NH2 3.42Å; R425-R427 VanDerWaalsContact C-N 3.31Å; R425-R427 PolarHBondContact O-N 2.87Å; R427-M429 VanDerWaalsContact C-N 3.34Å; R427-M429 PolarHBondContact O-N 3.41Å; R427-E435 IonicContact CZ-OE1 3.88Å; R427-E435 IonicContact NH1-OE1 2.95Å; R427-E435 PolarHBondContact NH1-OE1 2.71Å
428	R	94.7	Very high	93	Very high	95 Å²	95	74.8 Å²	74.8	36%	0.358	39%	0.388	S	S	.	.	H	α-helix	trans	-70	-26.2	-179.1	-64.8	-170	-44.1	-94	-2	113.8	D424 R425 H444 D471	D424-R428 WeakPolarHBondContact O-CG 3.34Å; D424-R428 PolarHBondContact O-N 2.92Å; D424-R428 IonicContact OD2-CZ 3.27Å; D424-R428 IonicContact OD2-NH1 2.67Å; D424-R428 PolarHBondContact OD2-NH1 2.98Å; R425-R428 PolarHBondContact O-N 2.86Å; R428-H444 PolarHBondContact O-CE1 3.02Å; R428-D471 IonicContact CZ-OD2 3.65Å; R428-D471 IonicContact NE-OD2 2.64Å; R428-D471 PolarHBondContact NE-OD2 3.44Å; R428-D471 IonicContact NH2-OD1 2.9Å; R428-D471 PolarHBondContact NH2-OD1 3.29Å; R428-D471 VanDerWaalsContact NH2-OD1 3.08Å; R428-D471 IonicContact NH2-OD2 3.38Å; R428-D471 PolarHBondContact NH2-OD2 3.02Å
429	M	96.8	Very high	93.1	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-97.7	-4.9	-179.9	-63.9	-174.6	75.3	0	0	113.9	H411 I415 R425 L426 R427 D471 F472 L475	H411-M429 PolarHBondContact NE2-O 2.88Å; I415-M429 HydrophobicContact CD1-CE 3.76Å; I415-M429 HydrophobicContact CD1-SD 3.94Å; I415-M429 HydrophobicContact CG1-CE 4.47Å; I415-M429 HydrophobicContact CG1-SD 4.3Å; I415-M429 HydrophobicContact CG2-SD 4.38Å; R425-M429 HydrophobicContact CG-CG 4.02Å; R425-M429 HydrophobicContact CG-SD 3.49Å; R425-M429 WeakPolarHBondContact CG-SD 3.45Å; R425-M429 WeakPolarHBondContact O-CB 3.32Å; R425-M429 VanDerWaalsContact O-CG 3.31Å; R425-M429 WeakPolarHBondContact O-CG 3.3Å; R425-M429 PolarHBondContact O-N 2.66Å; L426-M429 PolarHBondContact O-N 2.86Å; R427-M429 VanDerWaalsContact C-N 3.34Å; R427-M429 PolarHBondContact O-N 3.41Å; M429-D471 HydrophobicContact CE-CB 4.38Å; M429-D471 HydrophobicContact CG-CB 3.66Å; M429-D471 HydrophobicContact SD-CB 3.71Å; M429-F472 HydrophobicContact CB-CE1 4.4Å; M429-F472 HydrophobicContact CB-CZ 4.05Å; M429-F472 HydrophobicContact CE-CD1 3.53Å; M429-F472 HydrophobicContact CE-CD2 4.49Å; M429-F472 HydrophobicContact CE-CE1 3.73Å; M429-F472 HydrophobicContact CE-CG 3.95Å; M429-F472 HydrophobicContact CE-CZ 4.3Å; M429-F472 HydrophobicContact CG-CE2 4.45Å; M429-F472 HydrophobicContact CG-CZ 4.36Å; M429-F472 WeakPolarHBondContact O-CZ 3.38Å; M429-L475 HydrophobicContact CE-CB 4.44Å; M429-L475 HydrophobicContact CE-CD2 3.86Å
430	S	97.8	Very high	93.3	Very high	13 Å²	13	72.2 Å²	72.2	9%	0.091	37%	0.37	C	S	.	.			trans	-59.8	142.4	175.3	-178.5	0	0	0	0	111.5	N408 L426 I432 H444	N408-S430 PolarHBondContact ND2-OG 3.42Å; N408-S430 PolarHBondContact OD1-OG 2.87Å; L426-S430 PolarHBondContact O-N 2.79Å; L426-S430 VanDerWaalsContact O-N 3.09Å; S430-I432 WeakPolarHBondContact CB-O 3.25Å; S430-I432 PolarHBondContact OG-N 2.86Å; S430-I432 PolarHBondContact OG-O 2.77Å; S430-H444 PolarHBondContact O-ND1 2.82Å
431	L	98	Very high	93.6	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-72	-18.6	167	-82.1	61.9	0	0	0	111.3	I404 I407 N408 I440 N441 H444 L445 V448	I404-L431 HydrophobicContact CG2-CD2 4.45Å; I407-L431 HydrophobicContact CG2-CD2 3.86Å; N408-L431 HydrophobicContact CB-CB 4.15Å; N408-L431 PolarHBondContact OD1-N 3.43Å; L431-I440 CarbonylContact O-C 3.58Å; L431-I440 WeakPolarHBondContact O-CA 3.46Å; L431-N441 PolarHBondContact O-N 3.22Å; L431-H444 HydrophobicContact CD1-CB 4.13Å; L431-H444 HydrophobicContact CG-CB 4.17Å; L431-L445 HydrophobicContact CD2-CB 4Å; L431-L445 HydrophobicContact CD2-CD1 3.72Å; L431-L445 HydrophobicContact CD2-CG 4.47Å; L431-L445 HydrophobicContact CG-CB 4.36Å; L431-V448 HydrophobicContact CD1-CB 4.36Å; L431-V448 HydrophobicContact CD1-CG2 3.9Å
432	I	98	Very high	93.9	Very high	6 Å²	6	58 Å²	58	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.4	-177.4	-51	-62.2	0	0	0	109.5	I404 Y405 S430 R439 I440	I404-I432 HydrophobicContact CG2-CD1 4.25Å; Y405-I432 HydrophobicContact CD1-CD1 4.02Å; Y405-I432 HydrophobicContact CD1-CG1 3.94Å; Y405-I432 HydrophobicContact CE1-CD1 3.69Å; Y405-I432 HydrophobicContact CE1-CG1 3.73Å; Y405-I432 HydrophobicContact CE1-CG2 4.42Å; S430-I432 WeakPolarHBondContact CB-O 3.25Å; S430-I432 PolarHBondContact OG-N 2.86Å; S430-I432 PolarHBondContact OG-O 2.77Å; I432-R439 WeakPolarHBondContact CA-O 3.1Å; I432-I440 HydrophobicContact CD1-CG1 4.06Å
433	E	95.9	Very high	94.2	Very high	56 Å²	56	55.5 Å²	55.5	26%	0.262	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.8	176.3	-66.7	-179.5	171.1	0	0	110.3	R387 K438 R439 N441	R387-E433 VanDerWaalsContact CD-OE2 3.25Å; R387-E433 WeakPolarHBondContact CD-OE2 3.44Å; R387-E433 IonicContact CZ-OE1 2.73Å; R387-E433 IonicContact CZ-OE2 2.68Å; R387-E433 IonicContact NE-OE1 3.86Å; R387-E433 IonicContact NE-OE2 3.79Å; R387-E433 IonicContact NH1-OE1 2.66Å; R387-E433 PolarHBondContact NH1-OE1 2.99Å; R387-E433 IonicContact NH1-OE2 3.75Å; R387-E433 PolarHBondContact NH1-OE2 3.11Å; R387-E433 IonicContact NH2-OE1 2.87Å; R387-E433 PolarHBondContact NH2-OE1 2.87Å; E433-K438 VanDerWaalsContact O-CA 3.28Å; E433-K438 WeakPolarHBondContact O-CA 3.38Å; E433-R439 HydrophobicContact CB-CB 4.47Å; E433-R439 PolarHBondContact N-O 3.19Å; E433-R439 PolarHBondContact O-N 2.81Å; E433-R439 VanDerWaalsContact O-N 3.1Å; E433-N441 PolarHBondContact OE1-ND2 2.86Å
434	E	92.4	Very high	94.5	Very high	122 Å²	122	51.1 Å²	51.1	57%	0.57	26%	0.257	S	S	*	.			trans	-96.3	-20.1	-174.5	-64.5	-67.4	159.8	0	0	113.1	G436 K438	E434-G436 PolarHBondContact O-N 2.85Å; E434-K438 IonicContact OE1-NZ 3.88Å; E434-K438 WeakPolarHBondContact OE2-CE 3.45Å; E434-K438 IonicContact OE2-NZ 3.12Å
435	E	83.3	Confident	94.8	Very high	151 Å²	151	47.7 Å²	47.7	71%	0.706	24%	0.239	S	C	*	.	S	Bend	trans	-72	124.7	-173.8	-72.1	-177.7	-163.2	0	0	112.5	R427 S437	R427-E435 IonicContact CZ-OE1 3.88Å; R427-E435 IonicContact NH1-OE1 2.95Å; R427-E435 PolarHBondContact NH1-OE1 2.71Å; E435-S437 PolarHBondContact O-N 2.77Å; E435-S437 VanDerWaalsContact O-N 3.14Å
436	G	83.7	Confident	95	Very high	91 Å²	91	46.6 Å²	46.6	94%	0.938	24%	0.235	S	C	*	.	S	Bend	trans	77.2	-90.6	-178.6	0	0	0	0	0	112.5	E434	E434-G436 PolarHBondContact O-N 2.85Å
437	S	88.7	Confident	95.2	Very high	52 Å²	52	44.9 Å²	44.9	36%	0.364	23%	0.226	S	C	.	.	S	Bend	trans	-121.2	134.3	177.7	61.7	0	0	0	0	108.2	E435 R439	E435-S437 PolarHBondContact O-N 2.77Å; E435-S437 VanDerWaalsContact O-N 3.14Å; S437-R439 WeakPolarHBondContact O-CG 3.29Å; S437-R439 PolarHBondContact O-N 3.02Å; S437-R439 PolarHBondContact OG-NE 3Å; S437-R439 VanDerWaalsContact OG-NE 3.1Å; S437-R439 PolarHBondContact OG-NH2 2.99Å
438	K	95.6	Very high	95.5	Very high	97 Å²	97	38.9 Å²	38.9	42%	0.422	20%	0.204	S	C	.	.			trans	-55.1	128.9	180	-76.3	-174.5	167.7	-173.8	0	111.8	V390 E433 E434	V390-K438 HydrophobicContact CB-CB 3.92Å; V390-K438 HydrophobicContact CG2-CB 3.75Å; V390-K438 PolarHBondContact N-O 2.79Å; E433-K438 VanDerWaalsContact O-CA 3.28Å; E433-K438 WeakPolarHBondContact O-CA 3.38Å; E434-K438 IonicContact OE1-NZ 3.88Å; E434-K438 WeakPolarHBondContact OE2-CE 3.45Å; E434-K438 IonicContact OE2-NZ 3.12Å
439	R	96.6	Very high	95.6	Very high	103 Å²	103	34.4 Å²	34.4	39%	0.389	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.3	-178.7	-73	168.7	-168.2	-164.1	7.6	111.9	R387 W388 I432 E433 S437	R387-R439 HydrophobicContact CB-CB 4.26Å; W388-R439 CarbonylContact O-C 3.58Å; W388-R439 VanDerWaalsContact O-CA 3.24Å; W388-R439 WeakPolarHBondContact O-CA 3.45Å; I432-R439 WeakPolarHBondContact CA-O 3.1Å; E433-R439 HydrophobicContact CB-CB 4.47Å; E433-R439 PolarHBondContact N-O 3.19Å; E433-R439 PolarHBondContact O-N 2.81Å; E433-R439 VanDerWaalsContact O-N 3.1Å; S437-R439 WeakPolarHBondContact O-CG 3.29Å; S437-R439 PolarHBondContact O-N 3.02Å; S437-R439 PolarHBondContact OG-NE 3Å; S437-R439 VanDerWaalsContact OG-NE 3.1Å; S437-R439 PolarHBondContact OG-NH2 2.99Å
440	I	98.1	Very high	95.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.8	172.3	-48.2	-177.1	0	0	0	108.6	R387 W388 V390 V393 L401 I404 L431 I432 M442	R387-I440 WeakPolarHBondContact CA-O 3.48Å; W388-I440 PolarHBondContact N-O 3.27Å; W388-I440 PolarHBondContact O-N 3.16Å; V390-I440 HydrophobicContact CG2-CG1 3.92Å; V393-I440 HydrophobicContact CB-CD1 3.98Å; V393-I440 HydrophobicContact CG1-CD1 3.9Å; V393-I440 HydrophobicContact CG2-CD1 3.83Å; L401-I440 HydrophobicContact CD1-CD1 3.82Å; I404-I440 HydrophobicContact CD1-CD1 3.98Å; I404-I440 HydrophobicContact CD1-CG2 4.5Å; I404-I440 HydrophobicContact CG2-CD1 4.39Å; I404-I440 HydrophobicContact CG2-CG2 3.99Å; L431-I440 CarbonylContact O-C 3.58Å; L431-I440 WeakPolarHBondContact O-CA 3.46Å; I432-I440 HydrophobicContact CD1-CG1 4.06Å; I440-M442 HydrophobicContact CB-SD 4.07Å; I440-M442 HydrophobicContact CG2-SD 3.68Å; I440-M442 PolarHBondContact O-N 2.92Å
441	N	97.4	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	101.1	173.3	-175.8	-30.4	0	0	0	109.9	R387 L431 E433 A443 H444 L445	R387-N441 VanDerWaalsContact CZ-ND2 3.3Å; R387-N441 PolarHBondContact NH1-ND2 3.06Å; R387-N441 PolarHBondContact NH1-OD1 2.95Å; R387-N441 PolarHBondContact NH2-ND2 3.37Å; L431-N441 PolarHBondContact O-N 3.22Å; E433-N441 PolarHBondContact OE1-ND2 2.86Å; N441-A443 VanDerWaalsContact C-N 3.27Å; N441-A443 PolarHBondContact O-N 3.39Å; N441-A443 WeakPolarHBondContact OD1-CB 3.23Å; N441-A443 PolarHBondContact OD1-N 3.17Å; N441-A443 VanDerWaalsContact OD1-N 3.16Å; N441-H444 HydrophobicContact CB-CB 4.01Å; N441-H444 VanDerWaalsContact CG-CD2 3.43Å; N441-H444 PolarHBondContact ND2-CD2 2.66Å; N441-H444 PolarHBondContact ND2-CE1 3.46Å; N441-H444 PolarHBondContact ND2-ND1 3.22Å; N441-H444 PolarHBondContact ND2-NE2 3.32Å; N441-H444 PolarHBondContact O-N 3.4Å; N441-H444 PolarHBondContact OD1-CD2 3.24Å; N441-H444 PolarHBondContact OD1-N 3.01Å; N441-L445 PolarHBondContact O-N 2.82Å; N441-L445 VanDerWaalsContact O-N 3.08Å
442	M	98.1	Very high	95.8	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-69.7	-27.2	-175	-55.3	-50.3	-71.3	0	0	112.5	T341 A344 L345 E386 I440 L445 C446	T341-M442 HydrophobicContact CG2-CB 4.21Å; A344-M442 HydrophobicContact CB-CB 4.16Å; A344-M442 HydrophobicContact CB-CE 3.67Å; L345-M442 HydrophobicContact CD2-CE 4.07Å; L345-M442 HydrophobicContact CG-CE 4.21Å; E386-M442 HydrophobicContact CB-CB 4.18Å; E386-M442 HydrophobicContact CB-CG 4.02Å; E386-M442 WeakPolarHBondContact O-CG 3.35Å; E386-M442 PolarHBondContact O-N 3.18Å; E386-M442 VanDerWaalsContact O-N 3.16Å; I440-M442 HydrophobicContact CB-SD 4.07Å; I440-M442 HydrophobicContact CG2-SD 3.68Å; I440-M442 PolarHBondContact O-N 2.92Å; M442-L445 HydrophobicContact CE-CD2 3.82Å; M442-L445 PolarHBondContact O-N 2.86Å; M442-C446 PolarHBondContact O-N 3.29Å; M442-C446 PolarHBondContact O-SG 3.25Å
443	A	97.3	Very high	95.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-42.7	174.4	0	0	0	0	0	111.4	T341 L385 N441 L445 C446 I447 F469	T341-A443 HydrophobicContact CG2-CB 3.97Å; L385-A443 HydrophobicContact CD2-CB 4.2Å; N441-A443 VanDerWaalsContact C-N 3.27Å; N441-A443 PolarHBondContact O-N 3.39Å; N441-A443 WeakPolarHBondContact OD1-CB 3.23Å; N441-A443 PolarHBondContact OD1-N 3.17Å; N441-A443 VanDerWaalsContact OD1-N 3.16Å; A443-L445 VanDerWaalsContact C-N 3.34Å; A443-C446 PolarHBondContact O-N 3.27Å; A443-I447 WeakPolarHBondContact O-CD1 3.49Å; A443-I447 VanDerWaalsContact O-CG1 3.22Å; A443-I447 WeakPolarHBondContact O-CG1 3.44Å; A443-I447 PolarHBondContact O-N 2.87Å; A443-F469 HydrophobicContact CB-CE1 4.06Å; A443-F469 HydrophobicContact CB-CZ 3.88Å
444	H	98.3	Very high	95.9	Very high	17 Å²	17	34.5 Å²	34.5	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-41	174.6	-68.5	-173.7	0	0	0	111.1	R428 S430 L431 N441 C446 I447 V448 F472	R428-H444 PolarHBondContact O-CE1 3.02Å; S430-H444 PolarHBondContact O-ND1 2.82Å; L431-H444 HydrophobicContact CD1-CB 4.13Å; L431-H444 HydrophobicContact CG-CB 4.17Å; N441-H444 HydrophobicContact CB-CB 4.01Å; N441-H444 VanDerWaalsContact CG-CD2 3.43Å; N441-H444 PolarHBondContact ND2-CD2 2.66Å; N441-H444 PolarHBondContact ND2-CE1 3.46Å; N441-H444 PolarHBondContact ND2-ND1 3.22Å; N441-H444 PolarHBondContact ND2-NE2 3.32Å; N441-H444 PolarHBondContact O-N 3.4Å; N441-H444 PolarHBondContact OD1-CD2 3.24Å; N441-H444 PolarHBondContact OD1-N 3.01Å; H444-C446 VanDerWaalsContact C-N 3.35Å; H444-C446 PolarHBondContact O-N 3.13Å; H444-I447 PolarHBondContact O-N 3.33Å; H444-V448 WeakPolarHBondContact O-CB 3.35Å; H444-V448 WeakPolarHBondContact O-CG2 3.27Å; H444-V448 PolarHBondContact O-N 2.95Å; H444-F472 HydrophobicContact CB-CE2 4.5Å; H444-F472 HydrophobicContact CB-CZ 4.03Å; H444-F472 AromaticContact CD2-CE2 3.52Å; H444-F472 AromaticContact CD2-CZ 3.93Å; H444-F472 AromaticContact CE1-CE2 3.86Å; H444-F472 AromaticContact CG-CE2 3.76Å; H444-F472 AromaticContact CG-CZ 3.68Å; H444-F472 AromaticContact ND1-CE2 3.95Å; H444-F472 AromaticContact ND1-CZ 3.89Å; H444-F472 AromaticContact NE2-CE2 3.64Å
445	L	98.8	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.9	-47	173.4	175.7	62.7	0	0	0	111.4	I347 P348 I404 I407 L431 N441 M442 A443 V448 G449	I347-L445 HydrophobicContact CD1-CG 4.43Å; I347-L445 HydrophobicContact CG2-CD1 4.15Å; P348-L445 HydrophobicContact CG-CD2 4.37Å; I404-L445 HydrophobicContact CD1-CD2 4.36Å; I404-L445 HydrophobicContact CG1-CD2 4.33Å; I407-L445 HydrophobicContact CD1-CD1 4.23Å; I407-L445 HydrophobicContact CG2-CD1 4.5Å; L431-L445 HydrophobicContact CD2-CB 4Å; L431-L445 HydrophobicContact CD2-CD1 3.72Å; L431-L445 HydrophobicContact CD2-CG 4.47Å; L431-L445 HydrophobicContact CG-CB 4.36Å; N441-L445 PolarHBondContact O-N 2.82Å; N441-L445 VanDerWaalsContact O-N 3.08Å; M442-L445 HydrophobicContact CE-CD2 3.82Å; M442-L445 PolarHBondContact O-N 2.86Å; A443-L445 VanDerWaalsContact C-N 3.34Å; L445-V448 PolarHBondContact O-N 2.88Å; L445-G449 PolarHBondContact O-N 3.39Å
446	C	98.6	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-45.4	177.3	-71.7	0	0	0	0	112.5	A344 Y375 M442 A443 H444 S450	A344-C446 WeakPolarHBondContact CB-SG 3.43Å; Y375-C446 HydrophobicContact CD1-CB 3.61Å; Y375-C446 HydrophobicContact CD2-CB 3.81Å; Y375-C446 HydrophobicContact CE1-CB 3.98Å; Y375-C446 HydrophobicContact CE2-CB 4.19Å; Y375-C446 HydrophobicContact CG-CB 3.53Å; M442-C446 PolarHBondContact O-N 3.29Å; M442-C446 PolarHBondContact O-SG 3.25Å; A443-C446 PolarHBondContact O-N 3.27Å; H444-C446 VanDerWaalsContact C-N 3.35Å; H444-C446 PolarHBondContact O-N 3.13Å; C446-S450 WeakPolarHBondContact O-CB 3.41Å; C446-S450 PolarHBondContact O-N 2.85Å; C446-S450 PolarHBondContact O-OG 3.17Å
447	I	98.5	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.6	-53.4	177.8	-65.6	160.6	0	0	0	108.9	Y375 A443 H444 G449 S450 V453 F469 F472 K479 F480	Y375-I447 HydrophobicContact CD1-CG1 4.22Å; Y375-I447 HydrophobicContact CE1-CG1 4.16Å; A443-I447 WeakPolarHBondContact O-CD1 3.49Å; A443-I447 VanDerWaalsContact O-CG1 3.22Å; A443-I447 WeakPolarHBondContact O-CG1 3.44Å; A443-I447 PolarHBondContact O-N 2.87Å; H444-I447 PolarHBondContact O-N 3.33Å; I447-G449 VanDerWaalsContact C-N 3.34Å; I447-G449 PolarHBondContact O-N 3.01Å; I447-S450 PolarHBondContact O-N 3.42Å; I447-V453 HydrophobicContact CB-CG2 4.37Å; I447-V453 HydrophobicContact CG1-CG2 4.09Å; I447-V453 HydrophobicContact CG2-CG2 4.33Å; I447-F469 HydrophobicContact CD1-CB 4.09Å; I447-F469 HydrophobicContact CD1-CD1 3.54Å; I447-F469 HydrophobicContact CD1-CD2 3.64Å; I447-F469 HydrophobicContact CD1-CE1 3.83Å; I447-F469 HydrophobicContact CD1-CE2 3.97Å; I447-F469 HydrophobicContact CD1-CG 3.48Å; I447-F469 VanDerWaalsContact CD1-CG 3.48Å; I447-F469 HydrophobicContact CD1-CZ 4.06Å; I447-F472 HydrophobicContact CD1-CD2 4.18Å; I447-F472 HydrophobicContact CD1-CG 4.4Å; I447-F472 HydrophobicContact CG2-CB 3.94Å; I447-F472 HydrophobicContact CG2-CD1 3.64Å; I447-F472 HydrophobicContact CG2-CE1 4.3Å; I447-F472 HydrophobicContact CG2-CG 3.82Å; I447-K479 WeakPolarHBondContact O-CE 3.46Å; I447-K479 PolarHBondContact O-NZ 3.06Å; I447-F480 HydrophobicContact CG2-CZ 4.21Å
448	V	98.5	Very high	97.7	Very high	10 Å²	10	19.6 Å²	19.6	6%	0.061	9%	0.086	C	C	.	.	H	α-helix	trans	-63.7	-37.9	-176.6	170.5	0	0	0	0	112.4	W366 Q370 I407 H411 L431 H444 L445 F472	W366-V448 HydrophobicContact CH2-CG1 4.27Å; W366-V448 HydrophobicContact CZ2-CG1 3.85Å; Q370-V448 PolarHBondContact NE2-O 3.08Å; I407-V448 HydrophobicContact CG2-CG1 3.94Å; H411-V448 HydrophobicContact CB-CG1 4.23Å; L431-V448 HydrophobicContact CD1-CB 4.36Å; L431-V448 HydrophobicContact CD1-CG2 3.9Å; H444-V448 WeakPolarHBondContact O-CB 3.35Å; H444-V448 WeakPolarHBondContact O-CG2 3.27Å; H444-V448 PolarHBondContact O-N 2.95Å; L445-V448 PolarHBondContact O-N 2.88Å; V448-F472 HydrophobicContact CG2-CE1 3.83Å
449	G	98.4	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-86.1	1.8	-177.6	0	0	0	0	0	116.9	W366 Q370 L445 I447	W366-G449 VanDerWaalsContact CH2-CA 3.47Å; Q370-G449 WeakPolarHBondContact CA-O 3.5Å; L445-G449 PolarHBondContact O-N 3.39Å; I447-G449 VanDerWaalsContact C-N 3.34Å; I447-G449 PolarHBondContact O-N 3.01Å
450	S	98.6	Very high	97.4	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.007	6%	0.058	C	C	.	.			trans	-115.9	153.9	-177.9	-57.8	0	0	0	0	112.6	F373 C446 I447 K479	F373-S450 CarbonylContact O-C 3.57Å; F373-S450 VanDerWaalsContact O-CA 3.25Å; F373-S450 WeakPolarHBondContact O-CA 3.31Å; F373-S450 VanDerWaalsContact O-CB 3.29Å; F373-S450 WeakPolarHBondContact O-CB 3.24Å; C446-S450 WeakPolarHBondContact O-CB 3.41Å; C446-S450 PolarHBondContact O-N 2.85Å; C446-S450 PolarHBondContact O-OG 3.17Å; I447-S450 PolarHBondContact O-N 3.42Å; S450-K479 WeakPolarHBondContact O-CE 3.36Å; S450-K479 PolarHBondContact O-NZ 3.06Å
451	H	98.4	Very high	97.2	Very high	67 Å²	67	12.1 Å²	12.1	31%	0.31	6%	0.058	S	C	.	.	S	Bend	trans	-86.5	-16	171.6	65.3	-82.6	0	0	0	112.9	Q370 K371 F373 I825	Q370-H451 VanDerWaalsContact O-CB 3.31Å; Q370-H451 WeakPolarHBondContact O-CB 3.34Å; Q370-H451 PolarHBondContact O-N 3Å; Q370-H451 PolarHBondContact O-ND1 3.11Å; Q370-H451 VanDerWaalsContact O-ND1 3.1Å; K371-H451 PolarHBondContact O-ND1 3.39Å; F373-H451 PolarHBondContact O-CE1 2.94Å; F373-H451 VanDerWaalsContact O-CE1 3.25Å; F373-H451 PolarHBondContact O-N 3.36Å; F373-H451 PolarHBondContact O-ND1 3.03Å; H451-I825 PolarHBondContact NE2-O 3.39Å
452	T	98.5	Very high	97.1	Very high	9 Å²	9	14.9 Å²	14.9	6%	0.055	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.4	177.9	-64.4	0	0	0	0	110.6	A374 Y375 K479 Q481 I825	A374-T452 WeakPolarHBondContact CA-O 3.39Å; Y375-T452 PolarHBondContact N-O 3.16Å; T452-K479 WeakPolarHBondContact CA-O 3.33Å; T452-Q481 HydrophobicContact CG2-CB 4.41Å; T452-Q481 HydrophobicContact CG2-CG 3.96Å; T452-I825 HydrophobicContact CG2-CD1 3.87Å; T452-I825 HydrophobicContact CG2-CG1 3.99Å; T452-I825 HydrophobicContact CG2-CG2 4.25Å
453	V	98.4	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.5	173.4	179.8	0	0	0	0	107.7	Y375 I447 K479 F480 Q481	Y375-V453 HydrophobicContact CD1-CB 4.44Å; Y375-V453 HydrophobicContact CD1-CG1 3.74Å; Y375-V453 HydrophobicContact CD1-CG2 4.09Å; Y375-V453 HydrophobicContact CE1-CG1 4.12Å; Y375-V453 CarbonylContact O-C 3.58Å; Y375-V453 VanDerWaalsContact O-CA 3.28Å; Y375-V453 WeakPolarHBondContact O-CA 3.42Å; I447-V453 HydrophobicContact CB-CG2 4.37Å; I447-V453 HydrophobicContact CG1-CG2 4.09Å; I447-V453 HydrophobicContact CG2-CG2 4.33Å; V453-K479 HydrophobicContact CG2-CD 4.41Å; V453-K479 HydrophobicContact CG2-CG 4.15Å; V453-K479 PolarHBondContact N-O 3.36Å; V453-K479 VanDerWaalsContact O-O 3.09Å; V453-F480 HydrophobicContact CB-CD1 4.1Å; V453-F480 HydrophobicContact CB-CE1 4.17Å; V453-F480 HydrophobicContact CG1-CD1 3.98Å; V453-F480 HydrophobicContact CG1-CE1 3.87Å; V453-F480 CarbonylContact O-C 3.54Å; V453-F480 VanDerWaalsContact O-CA 3.29Å; V453-F480 WeakPolarHBondContact O-CA 3.36Å; V453-Q481 PolarHBondContact O-N 3.46Å
454	N	98.4	Very high	96.5	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.1	176.7	75.9	-85.6	0	0	0	113.4	Y375 T376 N377 Q481 K483 Y821	Y375-N454 PolarHBondContact O-N 3.32Å; Y375-N454 PolarHBondContact O-OD1 2.87Å; T376-N454 WeakPolarHBondContact CA-O 3.27Å; T376-N454 WeakPolarHBondContact CG2-ND2 3.3Å; T376-N454 PolarHBondContact OG1-OD1 3.45Å; N377-N454 PolarHBondContact N-O 3Å; N454-Q481 VanDerWaalsContact CA-O 3.26Å; N454-Q481 WeakPolarHBondContact CA-O 3.17Å; N454-Q481 HydrophobicContact CB-CB 4.24Å; N454-K483 HydrophobicContact CB-CG 4.3Å; N454-Y821 PolarHBondContact ND2-OH 3.44Å
455	G	97	Very high	96.3	Very high	2 Å²	2	18 Å²	18	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	178.1	162	0	0	0	0	0	111.8	H460 S461 Q481 K483	G455-H460 WeakPolarHBondContact CA-ND1 3.41Å; G455-S461 WeakPolarHBondContact CA-OG 3.29Å; G455-S461 PolarHBondContact N-OG 3.4Å; G455-Q481 PolarHBondContact N-O 2.93Å; G455-K483 PolarHBondContact O-N 3.36Å; G455-K483 VanDerWaalsContact O-N 3.08Å
456	V	96.9	Very high	96	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.112	C	C	.	.	S	Bend	trans	-117.1	3.4	-166.7	-67.9	0	0	0	0	115.7	T376 H460 K483 T484 N485 A674 S675	T376-V456 HydrophobicContact CG2-CG1 3.58Å; V456-H460 PolarHBondContact N-ND1 2.79Å; V456-K483 WeakPolarHBondContact CA-O 3.33Å; V456-T484 WeakPolarHBondContact O-CA 3.48Å; V456-N485 PolarHBondContact O-N 3.19Å; V456-A674 HydrophobicContact CG2-CB 3.7Å; V456-S675 WeakPolarHBondContact O-CB 3.48Å; V456-S675 PolarHBondContact O-OG 2.98Å
457	A	95.8	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-157.3	160	168.4	0	0	0	0	0	107.8	I459 H460 S461 N482 A674 E699	A457-I459 PolarHBondContact O-N 3.13Å; A457-H460 HydrophobicContact CB-CB 4.22Å; A457-H460 PolarHBondContact O-N 3.13Å; A457-S461 WeakPolarHBondContact O-CB 3.15Å; A457-S461 PolarHBondContact O-N 3.42Å; A457-S461 PolarHBondContact O-OG 3.32Å; A457-N482 PolarHBondContact O-OD1 2.9Å; A457-A674 WeakPolarHBondContact CB-O 3.49Å; A457-E699 WeakPolarHBondContact CA-OE2 3.45Å; A457-E699 WeakPolarHBondContact CB-OE2 3.38Å
458	K	94.6	Very high	95.1	Very high	99 Å²	99	29.9 Å²	29.9	43%	0.43	15%	0.15	S	C	.	.	H	α-helix	trans	-59.2	-53.6	-175.4	179	54	176.8	145	0	112.2	H460 S461 D462 N482 E699	K458-H460 VanDerWaalsContact C-N 3.29Å; K458-H460 PolarHBondContact O-N 3.45Å; K458-S461 PolarHBondContact O-N 3.26Å; K458-D462 VanDerWaalsContact CE-OD2 3.22Å; K458-D462 WeakPolarHBondContact CE-OD2 3.29Å; K458-D462 VanDerWaalsContact NZ-CG 3.29Å; K458-D462 IonicContact NZ-OD1 3.97Å; K458-D462 PolarHBondContact NZ-OD1 3.06Å; K458-D462 IonicContact NZ-OD2 3.96Å; K458-D462 PolarHBondContact NZ-OD2 3.2Å; K458-D462 PolarHBondContact O-N 3.4Å; K458-N482 PolarHBondContact N-OD1 3.1Å; K458-E699 HydrophobicContact CB-CG 4.46Å; K458-E699 PolarHBondContact N-OE2 3.16Å
459	I	92.1	Very high	95	Very high	39 Å²	39	29.6 Å²	29.6	20%	0.2	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-40.7	178.5	-170.4	169.7	0	0	0	112.2	A457 D462 I463 G695 V698 V716	A457-I459 PolarHBondContact O-N 3.13Å; I459-D462 PolarHBondContact O-N 3.24Å; I459-I463 HydrophobicContact CG1-CD1 4.19Å; I459-I463 WeakPolarHBondContact O-CG1 3.28Å; I459-I463 PolarHBondContact O-N 3.33Å; I459-G695 WeakPolarHBondContact CG2-O 3.36Å; I459-V698 HydrophobicContact CD1-CG2 4.27Å; I459-V716 HydrophobicContact CD1-CG2 3.87Å
460	H	93.9	Very high	94.9	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.019	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-47.9	177.3	172	-93.3	0	0	0	111.8	N377 V380 G455 V456 A457 K458 D462 I463 V464 A674	N377-H460 PolarHBondContact O-CE1 3.04Å; N377-H460 VanDerWaalsContact O-CE1 3.31Å; N377-H460 PolarHBondContact OD1-CE1 3.44Å; N377-H460 PolarHBondContact OD1-NE2 2.87Å; V380-H460 VanDerWaalsContact CG1-CD2 3.48Å; V380-H460 WeakPolarHBondContact CG1-CD2 3.33Å; G455-H460 WeakPolarHBondContact CA-ND1 3.41Å; V456-H460 PolarHBondContact N-ND1 2.79Å; A457-H460 HydrophobicContact CB-CB 4.22Å; A457-H460 PolarHBondContact O-N 3.13Å; K458-H460 VanDerWaalsContact C-N 3.29Å; K458-H460 PolarHBondContact O-N 3.45Å; H460-D462 PolarHBondContact O-N 2.9Å; H460-I463 PolarHBondContact O-N 2.84Å; H460-I463 VanDerWaalsContact O-N 3.14Å; H460-V464 WeakPolarHBondContact O-CB 3.23Å; H460-V464 VanDerWaalsContact O-CG2 3.29Å; H460-V464 WeakPolarHBondContact O-CG2 3.44Å; H460-V464 PolarHBondContact O-N 3.19Å; H460-A674 WeakPolarHBondContact CB-O 3.45Å; H460-A674 VanDerWaalsContact CD2-CA 3.45Å; H460-A674 WeakPolarHBondContact CD2-CA 3.41Å; H460-A674 WeakPolarHBondContact CD2-CB 3.44Å; H460-A674 WeakPolarHBondContact NE2-CB 3.48Å
461	S	95	Very high	94.8	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-36.7	177.1	-62.4	0	0	0	0	111.7	G455 A457 K458 V464 K465 N482	G455-S461 WeakPolarHBondContact CA-OG 3.29Å; G455-S461 PolarHBondContact N-OG 3.4Å; A457-S461 WeakPolarHBondContact O-CB 3.15Å; A457-S461 PolarHBondContact O-N 3.42Å; A457-S461 PolarHBondContact O-OG 3.32Å; K458-S461 PolarHBondContact O-N 3.26Å; S461-V464 PolarHBondContact O-N 2.69Å; S461-K465 VanDerWaalsContact O-CG 3.3Å; S461-K465 WeakPolarHBondContact O-CG 3.42Å; S461-K465 PolarHBondContact O-N 3.47Å; S461-N482 WeakPolarHBondContact OG-CA 3.19Å; S461-N482 WeakPolarHBondContact OG-CB 3.46Å; S461-N482 PolarHBondContact OG-OD1 2.79Å
462	D	94.1	Very high	94.7	Very high	57 Å²	57	32.4 Å²	32.4	31%	0.305	16%	0.16	S	C	.	.	H	α-helix	trans	-70.7	-39.3	176.4	-65.2	-21.2	0	0	0	111.8	K458 I459 H460 K465 T466	K458-D462 VanDerWaalsContact CE-OD2 3.22Å; K458-D462 WeakPolarHBondContact CE-OD2 3.29Å; K458-D462 VanDerWaalsContact NZ-CG 3.29Å; K458-D462 IonicContact NZ-OD1 3.97Å; K458-D462 PolarHBondContact NZ-OD1 3.06Å; K458-D462 IonicContact NZ-OD2 3.96Å; K458-D462 PolarHBondContact NZ-OD2 3.2Å; K458-D462 PolarHBondContact O-N 3.4Å; I459-D462 PolarHBondContact O-N 3.24Å; H460-D462 PolarHBondContact O-N 2.9Å; D462-K465 PolarHBondContact O-N 3.13Å; D462-T466 WeakPolarHBondContact O-CB 3.48Å; D462-T466 VanDerWaalsContact O-CG2 3.31Å; D462-T466 WeakPolarHBondContact O-CG2 3.33Å; D462-T466 PolarHBondContact O-N 3.29Å; D462-T466 PolarHBondContact O-OG1 2.96Å
463	I	91.5	Very high	94.6	Very high	23 Å²	23	32.8 Å²	32.8	12%	0.118	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-42.9	172.3	-69.6	166	0	0	0	111.2	V380 I459 H460 K465 T466 K467 V468	V380-I463 HydrophobicContact CB-CG2 4.31Å; V380-I463 HydrophobicContact CG1-CB 4.41Å; V380-I463 HydrophobicContact CG1-CG2 3.71Å; I459-I463 HydrophobicContact CG1-CD1 4.19Å; I459-I463 WeakPolarHBondContact O-CG1 3.28Å; I459-I463 PolarHBondContact O-N 3.33Å; H460-I463 PolarHBondContact O-N 2.84Å; H460-I463 VanDerWaalsContact O-N 3.14Å; I463-K465 VanDerWaalsContact C-N 3.31Å; I463-K465 PolarHBondContact O-N 2.95Å; I463-T466 PolarHBondContact O-N 3.32Å; I463-K467 HydrophobicContact CG2-CB 4.43Å; I463-K467 HydrophobicContact CG2-CD 4.48Å; I463-K467 WeakPolarHBondContact O-CA 3.27Å; I463-K467 WeakPolarHBondContact O-CB 3.42Å; I463-K467 PolarHBondContact O-N 3.37Å; I463-V468 HydrophobicContact CG2-CG2 4.13Å; I463-V468 PolarHBondContact O-N 3.01Å
464	V	92.3	Very high	94.4	Very high	2 Å²	2	37 Å²	37	1%	0.012	18%	0.183	C	C	.	.	I	π-helix	trans	-59	-44.3	177.1	168.9	0	0	0	0	110.7	N377 V380 H460 S461 F469 F480	N377-V464 WeakPolarHBondContact OD1-CG2 3.49Å; V380-V464 HydrophobicContact CG1-CG2 4.32Å; H460-V464 WeakPolarHBondContact O-CB 3.23Å; H460-V464 VanDerWaalsContact O-CG2 3.29Å; H460-V464 WeakPolarHBondContact O-CG2 3.44Å; H460-V464 PolarHBondContact O-N 3.19Å; S461-V464 PolarHBondContact O-N 2.69Å; V464-F469 HydrophobicContact CG1-CD2 3.45Å; V464-F469 VanDerWaalsContact CG1-CD2 3.45Å; V464-F469 HydrophobicContact CG1-CE2 3.95Å; V464-F469 HydrophobicContact CG1-CG 4.45Å; V464-F469 PolarHBondContact O-N 3.46Å; V464-F480 HydrophobicContact CG1-CD1 4.26Å; V464-F480 HydrophobicContact CG1-CE1 4.24Å
465	K	93.6	Very high	94.3	Very high	62 Å²	62	38.5 Å²	38.5	27%	0.27	19%	0.19	S	C	.	.	I	π-helix	trans	-69.3	-40.9	177.8	-73.7	176	176.9	-163.2	0	113.8	S461 D462 I463 K470 F480	S461-K465 VanDerWaalsContact O-CG 3.3Å; S461-K465 WeakPolarHBondContact O-CG 3.42Å; S461-K465 PolarHBondContact O-N 3.47Å; D462-K465 PolarHBondContact O-N 3.13Å; I463-K465 VanDerWaalsContact C-N 3.31Å; I463-K465 PolarHBondContact O-N 2.95Å; K465-K470 WeakPolarHBondContact O-CA 3.45Å; K465-F480 HydrophobicContact CD-CB 4.18Å; K465-F480 WeakPolarHBondContact CE-O 3.37Å; K465-F480 HydrophobicContact CG-CB 3.83Å; K465-F480 HydrophobicContact CG-CD1 4.3Å; K465-F480 HydrophobicContact CG-CG 4.25Å; K465-F480 PolarHBondContact NZ-O 3.34Å
466	T	91.8	Very high	94.2	Very high	86 Å²	86	41 Å²	41	53%	0.528	20%	0.201	S	C	.	.	I	π-helix	trans	-95.6	-23.6	-167.4	56.8	0	0	0	0	113.9	D462 I463	D462-T466 WeakPolarHBondContact O-CB 3.48Å; D462-T466 VanDerWaalsContact O-CG2 3.31Å; D462-T466 WeakPolarHBondContact O-CG2 3.33Å; D462-T466 PolarHBondContact O-N 3.29Å; D462-T466 PolarHBondContact O-OG1 2.96Å; I463-T466 PolarHBondContact O-N 3.32Å
467	K	89.7	Confident	94	Very high	118 Å²	118	44.4 Å²	44.4	51%	0.513	22%	0.224	S	C	.	.	I	π-helix	trans	-122.4	-59.4	-175.5	-60.7	-175.4	-179.8	178.2	0	112.2	I463	I463-K467 HydrophobicContact CG2-CB 4.43Å; I463-K467 HydrophobicContact CG2-CD 4.48Å; I463-K467 WeakPolarHBondContact O-CA 3.27Å; I463-K467 WeakPolarHBondContact O-CB 3.42Å; I463-K467 PolarHBondContact O-N 3.37Å
468	V	90.5	Very high	93.9	Very high	45 Å²	45	51.6 Å²	51.6	27%	0.273	26%	0.262	S	S	.	.	I	π-helix	trans	-73	-49	-166.9	-171.9	0	0	0	0	112.3	V380 L385 I463	V380-V468 HydrophobicContact CB-CG2 4.18Å; V380-V468 HydrophobicContact CG1-CG2 4.15Å; L385-V468 HydrophobicContact CD1-CG1 4.48Å; I463-V468 HydrophobicContact CG2-CG2 4.13Å; I463-V468 PolarHBondContact O-N 3.01Å
469	F	95.1	Very high	94	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.018	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	36.8	-178.4	-54.8	-45.9	0	0	0	111.6	L385 A443 I447 V464 D471 F472 S473 F480	L385-F469 HydrophobicContact CD2-CZ 4.5Å; A443-F469 HydrophobicContact CB-CE1 4.06Å; A443-F469 HydrophobicContact CB-CZ 3.88Å; I447-F469 HydrophobicContact CD1-CB 4.09Å; I447-F469 HydrophobicContact CD1-CD1 3.54Å; I447-F469 HydrophobicContact CD1-CD2 3.64Å; I447-F469 HydrophobicContact CD1-CE1 3.83Å; I447-F469 HydrophobicContact CD1-CE2 3.97Å; I447-F469 HydrophobicContact CD1-CG 3.48Å; I447-F469 VanDerWaalsContact CD1-CG 3.48Å; I447-F469 HydrophobicContact CD1-CZ 4.06Å; V464-F469 HydrophobicContact CG1-CD2 3.45Å; V464-F469 VanDerWaalsContact CG1-CD2 3.45Å; V464-F469 HydrophobicContact CG1-CE2 3.95Å; V464-F469 HydrophobicContact CG1-CG 4.45Å; V464-F469 PolarHBondContact O-N 3.46Å; F469-D471 PolarHBondContact O-N 2.76Å; F469-F472 HydrophobicContact CB-CB 4.39Å; F469-F472 HydrophobicContact CB-CD2 4.29Å; F469-F472 PolarHBondContact O-N 3.02Å; F469-F472 VanDerWaalsContact O-N 3.1Å; F469-S473 PolarHBondContact O-N 2.92Å; F469-F480 HydrophobicContact CB-CE1 3.88Å; F469-F480 HydrophobicContact CB-CZ 3.99Å; F469-F480 HydrophobicContact CD2-CE1 4.11Å; F469-F480 HydrophobicContact CG-CE1 4.46Å
470	K	95.9	Very high	94.3	Very high	98 Å²	98	46.2 Å²	46.2	43%	0.426	24%	0.237	S	C	.	.	H	α-helix	trans	-50.1	-52.1	-176.1	-173	-174.6	-178.4	-103.9	0	112.7	K465 F472 S473 E474	K465-K470 WeakPolarHBondContact O-CA 3.45Å; K470-F472 VanDerWaalsContact C-N 3.28Å; K470-F472 PolarHBondContact O-N 3.01Å; K470-S473 PolarHBondContact O-N 3.33Å; K470-S473 VanDerWaalsContact O-N 3.16Å; K470-E474 WeakPolarHBondContact CE-OE1 3.32Å; K470-E474 HydrophobicContact CG-CG 4.49Å; K470-E474 IonicContact NZ-OE1 2.92Å; K470-E474 PolarHBondContact NZ-OE1 3.49Å; K470-E474 WeakPolarHBondContact O-CG 3.41Å; K470-E474 PolarHBondContact O-N 3.01Å
471	D	96.6	Very high	94.5	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.102	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-34.8	-176.9	-67.3	-37.2	0	0	0	112.2	R425 R428 M429 F469 L475	R425-D471 IonicContact CZ-OD1 3.95Å; R425-D471 IonicContact NH1-OD1 3.38Å; R425-D471 PolarHBondContact NH1-OD1 3.35Å; R425-D471 IonicContact NH2-OD1 2.76Å; R428-D471 IonicContact CZ-OD2 3.65Å; R428-D471 IonicContact NE-OD2 2.64Å; R428-D471 PolarHBondContact NE-OD2 3.44Å; R428-D471 IonicContact NH2-OD1 2.9Å; R428-D471 PolarHBondContact NH2-OD1 3.29Å; R428-D471 VanDerWaalsContact NH2-OD1 3.08Å; R428-D471 IonicContact NH2-OD2 3.38Å; R428-D471 PolarHBondContact NH2-OD2 3.02Å; M429-D471 HydrophobicContact CE-CB 4.38Å; M429-D471 HydrophobicContact CG-CB 3.66Å; M429-D471 HydrophobicContact SD-CB 3.71Å; F469-D471 PolarHBondContact O-N 2.76Å; D471-L475 PolarHBondContact O-N 2.79Å
472	F	97.3	Very high	94.6	Very high	9 Å²	9	50.4 Å²	50.4	4%	0.039	26%	0.258	C	S	.	.	H	α-helix	trans	-73.5	-38.9	174.7	-66.9	-81.6	0	0	0	112.5	H411 M429 H444 I447 V448 F469 K470 E474 L475 E476 F480	H411-F472 AromaticContact CE1-CE1 3.96Å; H411-F472 AromaticContact NE2-CE1 3.71Å; M429-F472 HydrophobicContact CB-CE1 4.4Å; M429-F472 HydrophobicContact CB-CZ 4.05Å; M429-F472 HydrophobicContact CE-CD1 3.53Å; M429-F472 HydrophobicContact CE-CD2 4.49Å; M429-F472 HydrophobicContact CE-CE1 3.73Å; M429-F472 HydrophobicContact CE-CG 3.95Å; M429-F472 HydrophobicContact CE-CZ 4.3Å; M429-F472 HydrophobicContact CG-CE2 4.45Å; M429-F472 HydrophobicContact CG-CZ 4.36Å; M429-F472 WeakPolarHBondContact O-CZ 3.38Å; H444-F472 HydrophobicContact CB-CE2 4.5Å; H444-F472 HydrophobicContact CB-CZ 4.03Å; H444-F472 AromaticContact CD2-CE2 3.52Å; H444-F472 AromaticContact CD2-CZ 3.93Å; H444-F472 AromaticContact CE1-CE2 3.86Å; H444-F472 AromaticContact CG-CE2 3.76Å; H444-F472 AromaticContact CG-CZ 3.68Å; H444-F472 AromaticContact ND1-CE2 3.95Å; H444-F472 AromaticContact ND1-CZ 3.89Å; H444-F472 AromaticContact NE2-CE2 3.64Å; I447-F472 HydrophobicContact CD1-CD2 4.18Å; I447-F472 HydrophobicContact CD1-CG 4.4Å; I447-F472 HydrophobicContact CG2-CB 3.94Å; I447-F472 HydrophobicContact CG2-CD1 3.64Å; I447-F472 HydrophobicContact CG2-CE1 4.3Å; I447-F472 HydrophobicContact CG2-CG 3.82Å; V448-F472 HydrophobicContact CG2-CE1 3.83Å; F469-F472 HydrophobicContact CB-CB 4.39Å; F469-F472 HydrophobicContact CB-CD2 4.29Å; F469-F472 PolarHBondContact O-N 3.02Å; F469-F472 VanDerWaalsContact O-N 3.1Å; K470-F472 VanDerWaalsContact C-N 3.28Å; K470-F472 PolarHBondContact O-N 3.01Å; F472-E474 VanDerWaalsContact C-N 3.33Å; F472-L475 PolarHBondContact O-N 2.99Å; F472-E476 PolarHBondContact O-N 3.32Å; F472-F480 HydrophobicContact CB-CE2 4.03Å; F472-F480 HydrophobicContact CB-CZ 3.74Å
473	S	95.8	Very high	94.8	Very high	18 Å²	18	48 Å²	48	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-31.5	177.5	-173.8	0	0	0	0	112.4	F469 K470 L475 P477 F480	F469-S473 PolarHBondContact O-N 2.92Å; K470-S473 PolarHBondContact O-N 3.33Å; K470-S473 VanDerWaalsContact O-N 3.16Å; S473-L475 VanDerWaalsContact C-N 3.32Å; S473-P477 VanDerWaalsContact O-CA 3.24Å; S473-P477 WeakPolarHBondContact O-CA 3.33Å; S473-F480 VanDerWaalsContact CA-CE2 3.48Å
474	E	95.3	Very high	95.1	Very high	89 Å²	89	47.2 Å²	47.2	42%	0.416	24%	0.241	S	C	.	.	H	α-helix	trans	-67.9	-33.1	171.5	-73.7	173.7	-179.7	0	0	111.6	R425 K470 F472	R425-E474 IonicContact CZ-OE2 3.97Å; R425-E474 IonicContact NH1-OE2 2.64Å; R425-E474 PolarHBondContact NH1-OE2 3.48Å; R425-E474 IonicContact NH2-OE2 3.71Å; R425-E474 PolarHBondContact NH2-OE2 3.01Å; K470-E474 WeakPolarHBondContact CE-OE1 3.32Å; K470-E474 HydrophobicContact CG-CG 4.49Å; K470-E474 IonicContact NZ-OE1 2.92Å; K470-E474 PolarHBondContact NZ-OE1 3.49Å; K470-E474 WeakPolarHBondContact O-CG 3.41Å; K470-E474 PolarHBondContact O-N 3.01Å; F472-E474 VanDerWaalsContact C-N 3.33Å
475	L	95.2	Very high	95.4	Very high	31 Å²	31	47.5 Å²	47.5	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-77.2	-46.4	179.3	179.9	64.4	0	0	0	113.2	I415 L418 F419 M429 D471 F472 S473	I415-L475 HydrophobicContact CD1-CD2 3.51Å; L418-L475 HydrophobicContact CD1-CD1 3.51Å; F419-L475 HydrophobicContact CE2-CD1 4.04Å; F419-L475 HydrophobicContact CZ-CD1 4.5Å; M429-L475 HydrophobicContact CE-CB 4.44Å; M429-L475 HydrophobicContact CE-CD2 3.86Å; D471-L475 PolarHBondContact O-N 2.79Å; F472-L475 PolarHBondContact O-N 2.99Å; S473-L475 VanDerWaalsContact C-N 3.32Å
476	E	94.9	Very high	95.6	Very high	54 Å²	54	44.6 Å²	44.6	25%	0.252	23%	0.23	S	C	.	.			trans	-131.1	70.4	-174.9	-53.2	-171.9	136.3	0	0	110	K414 F472 D478 K479	K414-E476 IonicContact NZ-OE1 3.08Å; K414-E476 PolarHBondContact NZ-OE1 3.2Å; F472-E476 PolarHBondContact O-N 3.32Å; E476-D478 VanDerWaalsContact C-N 3.35Å; E476-D478 PolarHBondContact O-N 2.98Å; E476-K479 HydrophobicContact CB-CB 3.96Å; E476-K479 HydrophobicContact CB-CD 4.02Å; E476-K479 WeakPolarHBondContact O-CB 3.47Å; E476-K479 PolarHBondContact O-N 2.97Å; E476-K479 VanDerWaalsContact O-N 3.15Å; E476-K479 VanDerWaalsContact OE2-CD 3.27Å; E476-K479 WeakPolarHBondContact OE2-CD 3.45Å; E476-K479 IonicContact OE2-NZ 3.36Å; E476-K479 PolarHBondContact OE2-NZ 3.26Å
477	P	92.8	Very high	95.9	Very high	73 Å²	73	40.6 Å²	40.6	47%	0.474	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-61.3	-38.8	-171.2	22.4	-33.5	0	0	0	113.7	S473 K479 F480	S473-P477 VanDerWaalsContact O-CA 3.24Å; S473-P477 WeakPolarHBondContact O-CA 3.33Å; P477-K479 PolarHBondContact O-N 2.66Å; P477-F480 PolarHBondContact O-N 2.96Å
478	D	94.4	Very high	96.3	Very high	151 Å²	151	35 Å²	35	81%	0.807	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-66.8	-18.9	-178.8	-61.2	-34.9	0	0	0	113.2	E476 F480	E476-D478 VanDerWaalsContact C-N 3.35Å; E476-D478 PolarHBondContact O-N 2.98Å; D478-F480 VanDerWaalsContact C-N 3.31Å; D478-F480 PolarHBondContact O-N 3.3Å
479	K	96.8	Very high	96.7	Very high	16 Å²	16	33 Å²	33	7%	0.07	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-69.2	-30	178.5	-170.4	173.5	-176.8	147.1	0	112.5	I447 S450 T452 V453 E476 P477	I447-K479 WeakPolarHBondContact O-CE 3.46Å; I447-K479 PolarHBondContact O-NZ 3.06Å; S450-K479 WeakPolarHBondContact O-CE 3.36Å; S450-K479 PolarHBondContact O-NZ 3.06Å; T452-K479 WeakPolarHBondContact CA-O 3.33Å; V453-K479 HydrophobicContact CG2-CD 4.41Å; V453-K479 HydrophobicContact CG2-CG 4.15Å; V453-K479 PolarHBondContact N-O 3.36Å; V453-K479 VanDerWaalsContact O-O 3.09Å; E476-K479 HydrophobicContact CB-CB 3.96Å; E476-K479 HydrophobicContact CB-CD 4.02Å; E476-K479 WeakPolarHBondContact O-CB 3.47Å; E476-K479 PolarHBondContact O-N 2.97Å; E476-K479 VanDerWaalsContact O-N 3.15Å; E476-K479 VanDerWaalsContact OE2-CD 3.27Å; E476-K479 WeakPolarHBondContact OE2-CD 3.45Å; E476-K479 IonicContact OE2-NZ 3.36Å; E476-K479 PolarHBondContact OE2-NZ 3.26Å; P477-K479 PolarHBondContact O-N 2.66Å
480	F	97.7	Very high	96.9	Very high	9 Å²	9	32.8 Å²	32.8	4%	0.039	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.6	-173.3	-71.5	-99.5	0	0	0	111.3	I447 V453 V464 K465 F469 F472 S473 P477 D478	I447-F480 HydrophobicContact CG2-CZ 4.21Å; V453-F480 HydrophobicContact CB-CD1 4.1Å; V453-F480 HydrophobicContact CB-CE1 4.17Å; V453-F480 HydrophobicContact CG1-CD1 3.98Å; V453-F480 HydrophobicContact CG1-CE1 3.87Å; V453-F480 CarbonylContact O-C 3.54Å; V453-F480 VanDerWaalsContact O-CA 3.29Å; V453-F480 WeakPolarHBondContact O-CA 3.36Å; V464-F480 HydrophobicContact CG1-CD1 4.26Å; V464-F480 HydrophobicContact CG1-CE1 4.24Å; K465-F480 HydrophobicContact CD-CB 4.18Å; K465-F480 WeakPolarHBondContact CE-O 3.37Å; K465-F480 HydrophobicContact CG-CB 3.83Å; K465-F480 HydrophobicContact CG-CD1 4.3Å; K465-F480 HydrophobicContact CG-CG 4.25Å; K465-F480 PolarHBondContact NZ-O 3.34Å; F469-F480 HydrophobicContact CB-CE1 3.88Å; F469-F480 HydrophobicContact CB-CZ 3.99Å; F469-F480 HydrophobicContact CD2-CE1 4.11Å; F469-F480 HydrophobicContact CG-CE1 4.46Å; F472-F480 HydrophobicContact CB-CE2 4.03Å; F472-F480 HydrophobicContact CB-CZ 3.74Å; S473-F480 VanDerWaalsContact CA-CE2 3.48Å; P477-F480 PolarHBondContact O-N 2.96Å; D478-F480 VanDerWaalsContact C-N 3.31Å; D478-F480 PolarHBondContact O-N 3.3Å
481	Q	97.9	Very high	97	Very high	47 Å²	47	28.4 Å²	28.4	22%	0.22	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	171.3	-179.4	-59.8	-171.3	17.8	0	0	112.3	T452 V453 N454 G455 N824	T452-Q481 HydrophobicContact CG2-CB 4.41Å; T452-Q481 HydrophobicContact CG2-CG 3.96Å; V453-Q481 PolarHBondContact O-N 3.46Å; N454-Q481 VanDerWaalsContact CA-O 3.26Å; N454-Q481 WeakPolarHBondContact CA-O 3.17Å; N454-Q481 HydrophobicContact CB-CB 4.24Å; G455-Q481 PolarHBondContact N-O 2.93Å; Q481-N824 PolarHBondContact NE2-O 3.42Å; Q481-N824 VanDerWaalsContact NE2-O 3.16Å
482	N	97.8	Very high	97.1	Very high	48 Å²	48	27.5 Å²	27.5	26%	0.257	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.9	165.1	178.4	56.6	0	0	0	109.5	A457 K458 S461 T484	A457-N482 PolarHBondContact O-OD1 2.9Å; K458-N482 PolarHBondContact N-OD1 3.1Å; S461-N482 WeakPolarHBondContact OG-CA 3.19Å; S461-N482 WeakPolarHBondContact OG-CB 3.46Å; S461-N482 PolarHBondContact OG-OD1 2.79Å; N482-T484 PolarHBondContact ND2-OG1 3.1Å
483	K	98.1	Very high	97.2	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.03	14%	0.142	C	C	.	.			trans	-139.3	91.3	164.8	-63.9	-69.8	173.5	-72.2	0	108.2	N454 G455 V456 N485 E820 Y821 I825	N454-K483 HydrophobicContact CB-CG 4.3Å; G455-K483 PolarHBondContact O-N 3.36Å; G455-K483 VanDerWaalsContact O-N 3.08Å; V456-K483 WeakPolarHBondContact CA-O 3.33Å; K483-N485 PolarHBondContact O-N 2.92Å; K483-E820 HydrophobicContact CD-CB 3.5Å; K483-E820 VanDerWaalsContact CE-C 3.42Å; K483-E820 WeakPolarHBondContact CE-O 3.37Å; K483-Y821 HydrophobicContact CB-CD2 3.96Å; K483-Y821 HydrophobicContact CB-CE1 4.44Å; K483-Y821 HydrophobicContact CB-CE2 3.3Å; K483-Y821 HydrophobicContact CD-CD2 4.01Å; K483-Y821 HydrophobicContact CD-CE2 4.22Å; K483-Y821 HydrophobicContact CD-CG 4.33Å; K483-Y821 HydrophobicContact CG-CD1 4.37Å; K483-Y821 HydrophobicContact CG-CD2 3.87Å; K483-Y821 HydrophobicContact CG-CE1 4.12Å; K483-Y821 HydrophobicContact CG-CE2 3.62Å; K483-Y821 HydrophobicContact CG-CG 4.24Å; K483-I825 HydrophobicContact CG-CD1 4.09Å
484	T	97.8	Very high	97.2	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.037	14%	0.139	C	C	.	.			trans	-56.5	131.7	179.5	-57.6	0	0	0	0	109.5	V456 N482 E699 R816 T817	V456-T484 WeakPolarHBondContact O-CA 3.48Å; N482-T484 PolarHBondContact ND2-OG1 3.1Å; T484-E699 WeakPolarHBondContact CB-OE1 2.89Å; T484-E699 WeakPolarHBondContact CG2-OE1 3.13Å; T484-E699 WeakPolarHBondContact CG2-OE2 3.42Å; T484-E699 PolarHBondContact OG1-OE1 2.9Å; T484-E699 PolarHBondContact OG1-OE2 3.3Å; T484-R816 PolarHBondContact O-NH1 2.73Å; T484-R816 PolarHBondContact O-NH2 2.87Å; T484-T817 WeakPolarHBondContact O-CG2 3.41Å; T484-T817 PolarHBondContact O-OG1 3.12Å
485	N	97.9	Very high	97.3	Very high	8 Å²	8	23 Å²	23	4%	0.043	12%	0.122	C	C	.	.			trans	-56.2	168.1	177.8	-77	-21	0	0	0	112.7	L140 V456 K483 S675 T677 M680 R816	L140-N485 HydrophobicContact CD1-CB 3.95Å; L140-N485 VanDerWaalsContact CD2-OD1 3.23Å; L140-N485 WeakPolarHBondContact CD2-OD1 3.3Å; V456-N485 PolarHBondContact O-N 3.19Å; K483-N485 PolarHBondContact O-N 2.92Å; N485-S675 WeakPolarHBondContact ND2-CB 3.23Å; N485-S675 PolarHBondContact ND2-OG 3.48Å; N485-T677 HydrophobicContact CB-CG2 3.96Å; N485-M680 HydrophobicContact CB-CE 4.1Å; N485-R816 PolarHBondContact O-NH2 3.03Å
486	G	98.1	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.			trans	-156.2	169.5	174	0	0	0	0	0	111.7	F812 T817	G486-F812 CarbonylContact C-O 2.95Å; G486-F812 WeakPolarHBondContact CA-O 3.26Å; G486-T817 PolarHBondContact N-OG1 3.33Å
487	I	98.8	Very high	97.6	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.015	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-122.3	148.7	178.2	59.5	170.3	0	0	0	110.3	P489 W492 M680 K681 L684 F812 S813 S814	I487-P489 WeakPolarHBondContact O-CD 3.3Å; I487-W492 HydrophobicContact CB-CG 4.43Å; I487-W492 HydrophobicContact CD1-CB 4.01Å; I487-W492 HydrophobicContact CD1-CG 4.41Å; I487-M680 HydrophobicContact CD1-CB 3.91Å; I487-M680 HydrophobicContact CG1-CB 4.17Å; I487-M680 HydrophobicContact CG2-CB 4.27Å; I487-M680 HydrophobicContact CG2-SD 4.47Å; I487-K681 HydrophobicContact CB-CG 4.48Å; I487-K681 VanDerWaalsContact CD1-CA 3.46Å; I487-K681 HydrophobicContact CD1-CB 4.03Å; I487-K681 HydrophobicContact CD1-CG 3.55Å; I487-K681 HydrophobicContact CG2-CG 4Å; I487-L684 HydrophobicContact CD1-CD2 4.08Å; I487-F812 PolarHBondContact N-O 3.23Å; I487-S813 WeakPolarHBondContact O-CA 3.34Å; I487-S814 VanDerWaalsContact C-OG 3.25Å; I487-S814 PolarHBondContact O-N 2.79Å; I487-S814 PolarHBondContact O-OG 2.99Å
488	T	98.7	Very high	97.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.094	C	C	.	.			trans	-74.8	123.3	175.9	167.1	0	0	0	0	110.5	C143 D146 R490 R491 W492 S814	C143-T488 HydrophobicContact CB-CG2 4.16Å; D146-T488 HydrophobicContact CB-CG2 4.47Å; D146-T488 VanDerWaalsContact OD2-CB 3.28Å; D146-T488 WeakPolarHBondContact OD2-CB 3.31Å; D146-T488 PolarHBondContact OD2-OG1 3.21Å; T488-R490 PolarHBondContact O-N 2.86Å; T488-R490 PolarHBondContact OG1-N 2.87Å; T488-R490 PolarHBondContact OG1-NE 3.26Å; T488-R490 PolarHBondContact OG1-NH2 2.81Å; T488-R491 HydrophobicContact CG2-CB 3.95Å; T488-W492 WeakPolarHBondContact O-CB 3.31Å; T488-W492 VanDerWaalsContact O-CD1 3.31Å; T488-W492 PolarHBondContact O-N 3.01Å; T488-W492 VanDerWaalsContact O-N 3.08Å; T488-S814 WeakPolarHBondContact CA-OG 3.18Å; T488-S814 PolarHBondContact N-OG 2.87Å; T488-S814 VanDerWaalsContact N-OG 3.15Å
489	P	98.3	Very high	97.9	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-67.2	-17.4	174.4	27	-35.6	0	0	0	113.1	I487 L493 L494 L516	I487-P489 WeakPolarHBondContact O-CD 3.3Å; P489-L493 WeakPolarHBondContact O-CB 3.24Å; P489-L493 PolarHBondContact O-N 2.83Å; P489-L493 VanDerWaalsContact O-N 3.13Å; P489-L494 PolarHBondContact O-N 3.25Å; P489-L516 HydrophobicContact CB-CD1 3.72Å; P489-L516 HydrophobicContact CB-CD2 4.28Å; P489-L516 HydrophobicContact CG-CD1 4.23Å
490	R	98.5	Very high	98	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-64.2	-51.3	177.3	-75	70.7	63.3	-176.5	3.3	110.7	D146 S147 Y234 T488 L494 L495 V513 D815	D146-R490 IonicContact OD2-CZ 2.64Å; D146-R490 IonicContact OD2-NE 3.99Å; D146-R490 PolarHBondContact OD2-NE 3.28Å; D146-R490 IonicContact OD2-NH2 3.32Å; D146-R490 PolarHBondContact OD2-NH2 2.95Å; S147-R490 PolarHBondContact OG-NH2 2.74Å; Y234-R490 HydrophobicContact CD2-CG 3.58Å; Y234-R490 HydrophobicContact CE2-CG 4.29Å; Y234-R490 HydrophobicContact CG-CG 3.82Å; T488-R490 PolarHBondContact O-N 2.86Å; T488-R490 PolarHBondContact OG1-N 2.87Å; T488-R490 PolarHBondContact OG1-NE 3.26Å; T488-R490 PolarHBondContact OG1-NH2 2.81Å; R490-L494 WeakPolarHBondContact O-CB 3.43Å; R490-L495 VanDerWaalsContact O-CB 3.3Å; R490-L495 WeakPolarHBondContact O-CB 3.32Å; R490-L495 PolarHBondContact O-N 3.22Å; R490-V513 HydrophobicContact CG-CG1 4.11Å; R490-V513 PolarHBondContact NH1-O 3.01Å; R490-D815 IonicContact CZ-OD1 3.45Å; R490-D815 IonicContact CZ-OD2 2.7Å; R490-D815 VanDerWaalsContact NH1-CG 3.28Å; R490-D815 IonicContact NH1-OD1 2.74Å; R490-D815 PolarHBondContact NH1-OD1 3.49Å; R490-D815 VanDerWaalsContact NH1-OD1 3.16Å; R490-D815 IonicContact NH1-OD2 3.06Å; R490-D815 PolarHBondContact NH1-OD2 2.72Å; R490-D815 IonicContact NH2-OD1 3.74Å; R490-D815 PolarHBondContact NH2-OD1 3.37Å; R490-D815 IonicContact NH2-OD2 2.97Å
491	R	98.6	Very high	98.1	Very high	6 Å²	6	10.7 Å²	10.7	2%	0.023	6%	0.064	C	C	.	.	I	π-helix	trans	-79.1	-43.9	177.9	-174.7	170.1	-67.5	-94.7	4.8	112.4	R94 T488 L493 L495 C496 E655	R94-R491 PolarHBondContact O-NH1 2.94Å; R94-R491 PolarHBondContact O-NH2 2.8Å; T488-R491 HydrophobicContact CG2-CB 3.95Å; R491-L493 PolarHBondContact O-N 3.19Å; R491-L495 HydrophobicContact CG-CD1 4.38Å; R491-L495 WeakPolarHBondContact O-CB 3.16Å; R491-C496 PolarHBondContact O-N 2.74Å; R491-C496 PolarHBondContact O-SG 2.96Å; R491-C496 VanDerWaalsContact O-SG 3.39Å; R491-E655 VanDerWaalsContact CD-OE1 3.26Å; R491-E655 WeakPolarHBondContact CD-OE1 3.47Å; R491-E655 WeakPolarHBondContact CG-OE1 3.33Å; R491-E655 IonicContact CZ-OE1 2.85Å; R491-E655 IonicContact NE-OE1 3.8Å; R491-E655 IonicContact NH1-OE1 3.04Å; R491-E655 PolarHBondContact NH1-OE1 3.39Å
492	W	98.7	Very high	98	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-93.1	11.4	-167.6	-59.8	111.3	0	0	0	114.7	R139 I487 T488 V651 A654 E655 I658 K681 N685	R139-W492 HydrophobicContact CG-CZ2 4.1Å; I487-W492 HydrophobicContact CB-CG 4.43Å; I487-W492 HydrophobicContact CD1-CB 4.01Å; I487-W492 HydrophobicContact CD1-CG 4.41Å; T488-W492 WeakPolarHBondContact O-CB 3.31Å; T488-W492 VanDerWaalsContact O-CD1 3.31Å; T488-W492 PolarHBondContact O-N 3.01Å; T488-W492 VanDerWaalsContact O-N 3.08Å; W492-V651 HydrophobicContact CH2-CG1 4.07Å; W492-V651 HydrophobicContact CZ2-CG1 4.36Å; W492-A654 HydrophobicContact CH2-CB 3.95Å; W492-A654 HydrophobicContact CZ3-CB 3.94Å; W492-E655 HydrophobicContact CH2-CG 4.4Å; W492-E655 HydrophobicContact CZ3-CG 3.99Å; W492-I658 HydrophobicContact CE3-CD1 4.13Å; W492-I658 HydrophobicContact CZ3-CD1 3.85Å; W492-K681 HydrophobicContact CB-CG 4.29Å; W492-K681 HydrophobicContact CD2-CD 3.66Å; W492-K681 HydrophobicContact CD2-CG 3.89Å; W492-K681 VanDerWaalsContact CE2-CE 3.45Å; W492-K681 HydrophobicContact CE3-CD 3.71Å; W492-K681 HydrophobicContact CE3-CG 4.14Å; W492-K681 HydrophobicContact CG-CD 4.24Å; W492-K681 HydrophobicContact CG-CG 3.95Å; W492-K681 HydrophobicContact CH2-CD 4.19Å; W492-K681 HydrophobicContact CZ2-CD 4.14Å; W492-K681 HydrophobicContact CZ3-CD 3.98Å; W492-N685 PolarHBondContact O-ND2 3.04Å
493	L	98.6	Very high	98	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	5%	0.049	C	C	.	.	I	π-helix	trans	-146.1	-60	167.4	175.6	58.4	0	0	0	110.4	P489 R491 L495 N497 L500 A501 I504 Y512 L684	P489-L493 WeakPolarHBondContact O-CB 3.24Å; P489-L493 PolarHBondContact O-N 2.83Å; P489-L493 VanDerWaalsContact O-N 3.13Å; R491-L493 PolarHBondContact O-N 3.19Å; L493-L495 PolarHBondContact O-N 3.02Å; L493-N497 HydrophobicContact CD1-CB 4.38Å; L493-N497 CarbonylContact O-C 3.57Å; L493-N497 WeakPolarHBondContact O-CA 3.42Å; L493-N497 PolarHBondContact O-N 2.66Å; L493-L500 HydrophobicContact CD1-CB 4.17Å; L493-L500 HydrophobicContact CD1-CD2 3.8Å; L493-L500 HydrophobicContact CD1-CG 3.96Å; L493-A501 HydrophobicContact CG-CB 4.45Å; L493-I504 HydrophobicContact CD2-CD1 4.18Å; L493-Y512 HydrophobicContact CD2-CD2 4.43Å; L493-Y512 HydrophobicContact CD2-CE2 3.66Å; L493-L684 HydrophobicContact CB-CD2 3.88Å; L493-L684 HydrophobicContact CB-CG 4.15Å; L493-L684 HydrophobicContact CD2-CD1 3.91Å; L493-L684 HydrophobicContact CD2-CD2 4.48Å; L493-L684 HydrophobicContact CD2-CG 4.19Å
494	L	97.1	Very high	98	Very high	11 Å²	11	7.7 Å²	7.7	6%	0.058	5%	0.048	C	C	.	.	I	π-helix	trans	-64.3	-43.1	-173.3	179.7	57.2	0	0	0	113	I16 I101 Y234 P489 R490 A501 V513	I16-L494 HydrophobicContact CB-CD1 4.15Å; I16-L494 HydrophobicContact CD1-CD1 4.45Å; I16-L494 HydrophobicContact CG2-CD1 3.4Å; I16-L494 HydrophobicContact CG2-CD2 4.19Å; I16-L494 HydrophobicContact CG2-CG 4.45Å; I101-L494 HydrophobicContact CG2-CD2 3.57Å; I101-L494 HydrophobicContact CG2-CG 4.08Å; Y234-L494 HydrophobicContact CE2-CD2 3.71Å; P489-L494 PolarHBondContact O-N 3.25Å; R490-L494 WeakPolarHBondContact O-CB 3.43Å; L494-A501 HydrophobicContact CD1-CB 4.02Å; L494-V513 HydrophobicContact CD2-CG1 3.99Å; L494-V513 HydrophobicContact CD2-CG2 4.34Å
495	L	97.4	Very high	97.9	Very high	9 Å²	9	7.9 Å²	7.9	5%	0.047	5%	0.051	C	C	.	.	I	π-helix	trans	-74.1	-57.1	177.4	-174.8	159.1	0	0	0	111.8	Q97 N98 I101 R490 R491 L493 E655	Q97-L495 HydrophobicContact CB-CD1 4.16Å; Q97-L495 HydrophobicContact CB-CG 4.44Å; Q97-L495 HydrophobicContact CG-CD1 4.17Å; Q97-L495 HydrophobicContact CG-CG 3.97Å; Q97-L495 VanDerWaalsContact OE1-CG 3.23Å; N98-L495 HydrophobicContact CB-CD1 3.88Å; I101-L495 VanDerWaalsContact CD1-CA 3.49Å; I101-L495 HydrophobicContact CD1-CB 3.43Å; I101-L495 VanDerWaalsContact CD1-CB 3.43Å; I101-L495 HydrophobicContact CD1-CD1 4.03Å; I101-L495 HydrophobicContact CD1-CG 3.72Å; R490-L495 VanDerWaalsContact O-CB 3.3Å; R490-L495 WeakPolarHBondContact O-CB 3.32Å; R490-L495 PolarHBondContact O-N 3.22Å; R491-L495 HydrophobicContact CG-CD1 4.38Å; R491-L495 WeakPolarHBondContact O-CB 3.16Å; L493-L495 PolarHBondContact O-N 3.02Å; L495-E655 HydrophobicContact CD2-CG 4.42Å
496	C	98	Very high	97.8	Very high	18 Å²	18	13.3 Å²	13.3	12%	0.122	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.8	-169.4	67.8	0	0	0	0	114.3	R491 E655 P659	R491-C496 PolarHBondContact O-N 2.74Å; R491-C496 PolarHBondContact O-SG 2.96Å; R491-C496 VanDerWaalsContact O-SG 3.39Å; C496-E655 HydrophobicContact CB-CB 4.01Å; C496-E655 HydrophobicContact CB-CG 4.23Å; C496-E655 WeakPolarHBondContact CB-O 3.19Å; C496-P659 HydrophobicContact CB-CG 4.12Å; C496-P659 VanDerWaalsContact O-CG 3.3Å; C496-P659 WeakPolarHBondContact O-CG 3.45Å
497	N	98.4	Very high	97.7	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.09	C	C	.	.			trans	-138	61.7	-176.1	-164.7	-3.6	0	0	0	111.8	L493 G499 L500 A501 N542 P659 N685	L493-N497 HydrophobicContact CD1-CB 4.38Å; L493-N497 CarbonylContact O-C 3.57Å; L493-N497 WeakPolarHBondContact O-CA 3.42Å; L493-N497 PolarHBondContact O-N 2.66Å; N497-G499 PolarHBondContact O-N 3.18Å; N497-L500 HydrophobicContact CB-CB 4.32Å; N497-L500 WeakPolarHBondContact ND2-CB 3.39Å; N497-L500 WeakPolarHBondContact ND2-CD2 3.24Å; N497-L500 PolarHBondContact O-N 2.97Å; N497-L500 VanDerWaalsContact O-N 3.1Å; N497-L500 WeakPolarHBondContact OD1-CB 3.42Å; N497-L500 PolarHBondContact OD1-N 3.11Å; N497-A501 PolarHBondContact O-N 3.44Å; N497-N542 PolarHBondContact OD1-ND2 2.86Å; N497-P659 HydrophobicContact CB-CB 4.08Å; N497-P659 HydrophobicContact CB-CG 4.11Å; N497-N685 WeakPolarHBondContact CB-OD1 3.3Å; N497-N685 PolarHBondContact ND2-OD1 3.29Å
498	P	96.4	Very high	97.7	Very high	28 Å²	28	17.5 Å²	17.5	18%	0.182	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-27.5	-175.6	27.3	-36.7	0	0	0	112.7	I14 A501 E502	I14-P498 HydrophobicContact CD1-CB 3.98Å; P498-A501 PolarHBondContact O-N 2.55Å; P498-E502 PolarHBondContact O-N 3.45Å
499	G	97.5	Very high	97.5	Very high	25 Å²	25	19 Å²	19	26%	0.258	11%	0.11	S	C	.	.	H	α-helix	trans	-66.4	-40.9	174.8	0	0	0	0	0	113	N497 L503	N497-G499 PolarHBondContact O-N 3.18Å; G499-L503 PolarHBondContact O-N 3.03Å
500	L	98.5	Very high	97.4	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.026	13%	0.127	C	C	.	.	H	α-helix	trans	-71.8	-39.6	174.6	-178.7	58.6	0	0	0	111.2	L493 N497 E502 L503 I504 L535 V538 I806	L493-L500 HydrophobicContact CD1-CB 4.17Å; L493-L500 HydrophobicContact CD1-CD2 3.8Å; L493-L500 HydrophobicContact CD1-CG 3.96Å; N497-L500 HydrophobicContact CB-CB 4.32Å; N497-L500 WeakPolarHBondContact ND2-CB 3.39Å; N497-L500 WeakPolarHBondContact ND2-CD2 3.24Å; N497-L500 PolarHBondContact O-N 2.97Å; N497-L500 VanDerWaalsContact O-N 3.1Å; N497-L500 WeakPolarHBondContact OD1-CB 3.42Å; N497-L500 PolarHBondContact OD1-N 3.11Å; L500-E502 PolarHBondContact O-N 3.04Å; L500-L503 PolarHBondContact O-N 3.44Å; L500-I504 HydrophobicContact CD1-CD1 4.21Å; L500-I504 HydrophobicContact CD1-CG1 4.38Å; L500-I504 HydrophobicContact CG-CD1 3.98Å; L500-I504 VanDerWaalsContact O-CG1 3.31Å; L500-I504 WeakPolarHBondContact O-CG1 3.37Å; L500-I504 PolarHBondContact O-N 2.96Å; L500-L535 HydrophobicContact CD1-CD1 3.53Å; L500-V538 HydrophobicContact CB-CG1 3.94Å; L500-I806 HydrophobicContact CD1-CD1 4.31Å; L500-I806 HydrophobicContact CD2-CD1 4.26Å
501	A	98.1	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.7	-49.4	176.4	0	0	0	0	0	111.2	I16 L493 L494 N497 P498 L503 I504 A505 Y512	I16-A501 HydrophobicContact CD1-CB 3.85Å; I16-A501 VanDerWaalsContact CD1-O 3.25Å; I16-A501 WeakPolarHBondContact CD1-O 3.13Å; L493-A501 HydrophobicContact CG-CB 4.45Å; L494-A501 HydrophobicContact CD1-CB 4.02Å; N497-A501 PolarHBondContact O-N 3.44Å; P498-A501 PolarHBondContact O-N 2.55Å; A501-L503 PolarHBondContact O-N 3.25Å; A501-I504 PolarHBondContact O-N 3.22Å; A501-A505 PolarHBondContact O-N 2.9Å; A501-Y512 VanDerWaalsContact CA-OH 3.29Å; A501-Y512 WeakPolarHBondContact CA-OH 3.48Å; A501-Y512 VanDerWaalsContact CB-OH 3.31Å; A501-Y512 WeakPolarHBondContact CB-OH 3.49Å; A501-Y512 PolarHBondContact O-OH 3.22Å
502	E	96.4	Very high	97.1	Very high	27 Å²	27	27.7 Å²	27.7	13%	0.126	15%	0.154	C	C	.	.	H	α-helix	trans	-60.2	-46.9	178.2	-168	65.1	-179.6	0	0	112	I14 S15 I16 P498 L500 I504 A505 E506	I14-E502 HydrophobicContact CG2-CB 4.07Å; I14-E502 HydrophobicContact CG2-CG 4.19Å; I14-E502 WeakPolarHBondContact CG2-OE2 3.47Å; S15-E502 WeakPolarHBondContact CB-OE1 3.25Å; S15-E502 PolarHBondContact N-OE1 2.84Å; S15-E502 PolarHBondContact N-OE2 2.97Å; S15-E502 VanDerWaalsContact OG-CD 3.31Å; S15-E502 PolarHBondContact OG-OE1 3.1Å; S15-E502 PolarHBondContact OG-OE2 2.88Å; I16-E502 HydrophobicContact CD1-CB 4.42Å; I16-E502 WeakPolarHBondContact CD1-OE2 3.16Å; I16-E502 VanDerWaalsContact CG1-OE2 3.3Å; I16-E502 WeakPolarHBondContact CG1-OE2 3.17Å; I16-E502 PolarHBondContact N-OE2 3.28Å; P498-E502 PolarHBondContact O-N 3.45Å; L500-E502 PolarHBondContact O-N 3.04Å; E502-I504 PolarHBondContact O-N 3.18Å; E502-A505 PolarHBondContact O-N 3.26Å; E502-E506 HydrophobicContact CG-CG 4.48Å; E502-E506 WeakPolarHBondContact O-CG 3.39Å; E502-E506 PolarHBondContact O-N 3.13Å
503	L	97.6	Very high	96.9	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.047	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-35.8	178.7	179.8	61.7	0	0	0	112.1	G499 L500 A501 F531 E534 L535 V538	G499-L503 PolarHBondContact O-N 3.03Å; L500-L503 PolarHBondContact O-N 3.44Å; A501-L503 PolarHBondContact O-N 3.25Å; L503-F531 HydrophobicContact CD1-CD2 3.94Å; L503-F531 HydrophobicContact CD1-CE2 3.71Å; L503-F531 HydrophobicContact CD2-CE2 4.13Å; L503-F531 HydrophobicContact CG-CD2 4.3Å; L503-F531 HydrophobicContact CG-CE2 3.63Å; L503-F531 HydrophobicContact CG-CZ 4.38Å; L503-E534 HydrophobicContact CD1-CB 3.74Å; L503-E534 HydrophobicContact CD2-CB 4.04Å; L503-L535 HydrophobicContact CD2-CB 4.2Å; L503-L535 HydrophobicContact CD2-CD1 4.42Å; L503-V538 HydrophobicContact CD2-CG2 4.17Å
504	I	98.1	Very high	96.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-70.1	-48	174.1	-67.5	167.8	0	0	0	110.1	L493 L500 A501 E502 E506 K507 I508 Y512 L519 L522 I806	L493-I504 HydrophobicContact CD2-CD1 4.18Å; L500-I504 HydrophobicContact CD1-CD1 4.21Å; L500-I504 HydrophobicContact CD1-CG1 4.38Å; L500-I504 HydrophobicContact CG-CD1 3.98Å; L500-I504 VanDerWaalsContact O-CG1 3.31Å; L500-I504 WeakPolarHBondContact O-CG1 3.37Å; L500-I504 PolarHBondContact O-N 2.96Å; A501-I504 PolarHBondContact O-N 3.22Å; E502-I504 PolarHBondContact O-N 3.18Å; I504-E506 VanDerWaalsContact C-N 3.33Å; I504-E506 PolarHBondContact O-N 3.24Å; I504-K507 PolarHBondContact O-N 3.41Å; I504-I508 HydrophobicContact CG2-CD1 3.68Å; I504-I508 HydrophobicContact CG2-CG1 3.72Å; I504-I508 WeakPolarHBondContact O-CG1 3.38Å; I504-I508 PolarHBondContact O-N 2.87Å; I504-Y512 HydrophobicContact CB-CE1 4.3Å; I504-Y512 HydrophobicContact CG2-CD1 3.8Å; I504-Y512 HydrophobicContact CG2-CD2 4.46Å; I504-Y512 HydrophobicContact CG2-CE1 3.71Å; I504-Y512 HydrophobicContact CG2-CE2 4.39Å; I504-Y512 HydrophobicContact CG2-CG 4.19Å; I504-L519 HydrophobicContact CD1-CD2 4.15Å; I504-L519 HydrophobicContact CG2-CD2 3.78Å; I504-L522 HydrophobicContact CD1-CD1 4.45Å; I504-L522 HydrophobicContact CG1-CD1 4.14Å; I504-L522 HydrophobicContact CG2-CD1 4.44Å; I504-I806 HydrophobicContact CD1-CG2 4.22Å
505	A	96.9	Very high	96.6	Very high	10 Å²	10	34.1 Å²	34.1	8%	0.083	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-37.3	-178.1	0	0	0	0	0	113.3	I16 A501 E502 K507 I508 G509 E510 Y512	I16-A505 HydrophobicContact CD1-CB 3.51Å; I16-A505 HydrophobicContact CG1-CB 3.59Å; A501-A505 PolarHBondContact O-N 2.9Å; E502-A505 PolarHBondContact O-N 3.26Å; A505-K507 PolarHBondContact O-N 3.21Å; A505-K507 VanDerWaalsContact O-N 3.14Å; A505-I508 PolarHBondContact O-N 3.43Å; A505-G509 WeakPolarHBondContact CA-O 3.38Å; A505-G509 VanDerWaalsContact O-CA 3.29Å; A505-G509 WeakPolarHBondContact O-CA 3.39Å; A505-G509 PolarHBondContact O-N 3.02Å; A505-E510 HydrophobicContact CB-CG 4.19Å; A505-Y512 HydrophobicContact CB-CE1 4.26Å
506	E	96.1	Very high	96.6	Very high	122 Å²	122	33.9 Å²	33.9	57%	0.57	18%	0.184	S	C	*	.	H	α-helix	trans	-57.3	-27.2	174.1	-75.4	179.6	-178.2	0	0	112.7	E502 I504	E502-E506 HydrophobicContact CG-CG 4.48Å; E502-E506 WeakPolarHBondContact O-CG 3.39Å; E502-E506 PolarHBondContact O-N 3.13Å; I504-E506 VanDerWaalsContact C-N 3.33Å; I504-E506 PolarHBondContact O-N 3.24Å
507	K	96.1	Very high	96.6	Very high	69 Å²	69	35.9 Å²	35.9	30%	0.3	20%	0.198	S	C	.	.	H	α-helix	trans	-96.5	-38.9	-178.9	-61.4	-50.5	-177.4	-174.1	0	113.9	I504 A505 F525 F531	I504-K507 PolarHBondContact O-N 3.41Å; A505-K507 PolarHBondContact O-N 3.21Å; A505-K507 VanDerWaalsContact O-N 3.14Å; K507-F525 HydrophobicContact CB-CE1 4.33Å; K507-F525 HydrophobicContact CB-CE2 3.83Å; K507-F525 HydrophobicContact CB-CZ 3.7Å; K507-F525 HydrophobicContact CD-CD1 4.34Å; K507-F525 HydrophobicContact CD-CE1 3.76Å; K507-F525 HydrophobicContact CD-CZ 3.99Å; K507-F525 HydrophobicContact CG-CE1 4.2Å; K507-F525 HydrophobicContact CG-CE2 4.38Å; K507-F525 HydrophobicContact CG-CZ 4.08Å; K507-F531 HydrophobicContact CD-CD2 4.33Å; K507-F531 HydrophobicContact CD-CE2 4.39Å; K507-F531 VanDerWaalsContact CE-CD2 3.44Å; K507-F531 HydrophobicContact CG-CD2 3.98Å; K507-F531 HydrophobicContact CG-CE2 3.57Å; K507-F531 HydrophobicContact CG-CZ 4.27Å
508	I	97.1	Very high	96.6	Very high	23 Å²	23	37.3 Å²	37.3	12%	0.118	21%	0.205	C	C	.	.	H	α-helix	trans	-126.7	2.3	-169.4	69.1	164.4	0	0	0	114.8	I504 A505 Y512 Q518 L519 K521 L522 F525	I504-I508 HydrophobicContact CG2-CD1 3.68Å; I504-I508 HydrophobicContact CG2-CG1 3.72Å; I504-I508 WeakPolarHBondContact O-CG1 3.38Å; I504-I508 PolarHBondContact O-N 2.87Å; A505-I508 PolarHBondContact O-N 3.43Å; I508-Y512 HydrophobicContact CD1-CD1 4.41Å; I508-Y512 HydrophobicContact CD1-CG 4.49Å; I508-Y512 HydrophobicContact CG1-CD1 4.49Å; I508-Q518 HydrophobicContact CD1-CB 4.5Å; I508-L519 HydrophobicContact CD1-CD2 4.23Å; I508-K521 HydrophobicContact CB-CB 4.45Å; I508-K521 HydrophobicContact CB-CD 4.29Å; I508-K521 HydrophobicContact CG2-CB 3.75Å; I508-K521 HydrophobicContact CG2-CD 4.42Å; I508-L522 HydrophobicContact CD1-CG 4.49Å; I508-L522 HydrophobicContact CG2-CD2 4Å; I508-F525 HydrophobicContact CG2-CE2 4.32Å
509	G	96.1	Very high	96.7	Very high	32 Å²	32	36 Å²	36	33%	0.33	20%	0.196	S	C	.	.			trans	80.4	-178.5	-174.6	0	0	0	0	0	113.4	A505 Y512	A505-G509 WeakPolarHBondContact CA-O 3.38Å; A505-G509 VanDerWaalsContact O-CA 3.29Å; A505-G509 WeakPolarHBondContact O-CA 3.39Å; A505-G509 PolarHBondContact O-N 3.02Å; G509-Y512 VanDerWaalsContact O-CD1 3.23Å; G509-Y512 WeakPolarHBondContact O-CD1 3.35Å
510	E	95.2	Very high	96.7	Very high	76 Å²	76	38.3 Å²	38.3	36%	0.355	21%	0.206	S	C	.	.	S	Bend	trans	-92.8	-9.1	-171.7	-57	-174	-177.8	0	0	114.6	I16 A505 Y512 V513	I16-E510 WeakPolarHBondContact CA-OE1 3.44Å; I16-E510 HydrophobicContact CG1-CG 4.09Å; A505-E510 HydrophobicContact CB-CG 4.19Å; E510-Y512 PolarHBondContact O-N 3.01Å; E510-V513 WeakPolarHBondContact O-CG2 3.5Å; E510-V513 PolarHBondContact O-N 3.2Å
511	D	94.3	Very high	96.7	Very high	111 Å²	111	42.9 Å²	42.9	59%	0.594	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-62.4	-21	-173.3	-71.2	-30.2	0	0	0	113.1	V513 K514 D515	D511-V513 PolarHBondContact O-N 3.05Å; D511-V513 VanDerWaalsContact O-N 3.09Å; D511-K514 PolarHBondContact O-N 3.35Å; D511-D515 PolarHBondContact O-N 3.38Å
512	Y	96.3	Very high	96.7	Very high	2 Å²	2	43 Å²	43	1%	0.008	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-59.6	-22.5	178.1	79.7	-91.2	0	0	0	113.4	L493 A501 I504 A505 I508 G509 E510 K514 D515 L516 L519	L493-Y512 HydrophobicContact CD2-CD2 4.43Å; L493-Y512 HydrophobicContact CD2-CE2 3.66Å; A501-Y512 VanDerWaalsContact CA-OH 3.29Å; A501-Y512 WeakPolarHBondContact CA-OH 3.48Å; A501-Y512 VanDerWaalsContact CB-OH 3.31Å; A501-Y512 WeakPolarHBondContact CB-OH 3.49Å; A501-Y512 PolarHBondContact O-OH 3.22Å; I504-Y512 HydrophobicContact CB-CE1 4.3Å; I504-Y512 HydrophobicContact CG2-CD1 3.8Å; I504-Y512 HydrophobicContact CG2-CD2 4.46Å; I504-Y512 HydrophobicContact CG2-CE1 3.71Å; I504-Y512 HydrophobicContact CG2-CE2 4.39Å; I504-Y512 HydrophobicContact CG2-CG 4.19Å; A505-Y512 HydrophobicContact CB-CE1 4.26Å; I508-Y512 HydrophobicContact CD1-CD1 4.41Å; I508-Y512 HydrophobicContact CD1-CG 4.49Å; I508-Y512 HydrophobicContact CG1-CD1 4.49Å; G509-Y512 VanDerWaalsContact O-CD1 3.23Å; G509-Y512 WeakPolarHBondContact O-CD1 3.35Å; E510-Y512 PolarHBondContact O-N 3.01Å; Y512-K514 PolarHBondContact O-N 2.91Å; Y512-D515 WeakPolarHBondContact CA-O 3.3Å; Y512-D515 CarbonylContact O-C 3.59Å; Y512-D515 VanDerWaalsContact O-C 3.22Å; Y512-D515 PolarHBondContact O-N 3.04Å; Y512-L516 HydrophobicContact CD2-CD1 4.08Å; Y512-L516 WeakPolarHBondContact O-CA 3.38Å; Y512-L516 PolarHBondContact O-N 3.42Å; Y512-L519 HydrophobicContact CD2-CD2 3.98Å; Y512-L519 HydrophobicContact CG-CD2 4.19Å
513	V	94.9	Very high	96.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-67.1	-28.1	178.7	-176.1	0	0	0	0	111.6	Y234 R490 L494 E510 D511	Y234-V513 HydrophobicContact CD1-CG1 3.88Å; Y234-V513 HydrophobicContact CD2-CG1 4.32Å; Y234-V513 HydrophobicContact CE1-CB 3.82Å; Y234-V513 HydrophobicContact CE1-CG1 3.43Å; Y234-V513 VanDerWaalsContact CE1-CG1 3.43Å; Y234-V513 HydrophobicContact CE2-CG1 3.92Å; Y234-V513 HydrophobicContact CG-CG1 4.31Å; Y234-V513 VanDerWaalsContact CZ-CG1 3.45Å; R490-V513 HydrophobicContact CG-CG1 4.11Å; R490-V513 PolarHBondContact NH1-O 3.01Å; L494-V513 HydrophobicContact CD2-CG1 3.99Å; L494-V513 HydrophobicContact CD2-CG2 4.34Å; E510-V513 WeakPolarHBondContact O-CG2 3.5Å; E510-V513 PolarHBondContact O-N 3.2Å; D511-V513 PolarHBondContact O-N 3.05Å; D511-V513 VanDerWaalsContact O-N 3.09Å
514	K	92	Very high	96.5	Very high	83 Å²	83	49.6 Å²	49.6	36%	0.361	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-24	174.5	-66.9	-178.1	178	-178.2	0	112.9	Y234 D511 Y512	Y234-K514 HydrophobicContact CD1-CD 4.33Å; Y234-K514 HydrophobicContact CD1-CG 3.75Å; Y234-K514 HydrophobicContact CE1-CG 4.15Å; Y234-K514 WeakPolarHBondContact O-CE 3.45Å; D511-K514 PolarHBondContact O-N 3.35Å; Y512-K514 PolarHBondContact O-N 2.91Å
515	D	96.4	Very high	96.4	Very high	64 Å²	64	51.4 Å²	51.4	34%	0.342	27%	0.274	S	S	.	.			trans	-135.7	85.1	178.2	179.4	18.5	0	0	0	111.5	D511 Y512 S517 Q518	D511-D515 PolarHBondContact O-N 3.38Å; Y512-D515 WeakPolarHBondContact CA-O 3.3Å; Y512-D515 CarbonylContact O-C 3.59Å; Y512-D515 VanDerWaalsContact O-C 3.22Å; Y512-D515 PolarHBondContact O-N 3.04Å; D515-S517 VanDerWaalsContact CG-OG 3.24Å; D515-S517 PolarHBondContact O-N 3.13Å; D515-S517 WeakPolarHBondContact OD1-CB 3.48Å; D515-S517 PolarHBondContact OD1-N 3.43Å; D515-S517 PolarHBondContact OD1-OG 2.9Å; D515-S517 PolarHBondContact OD2-OG 2.67Å; D515-Q518 HydrophobicContact CB-CG 4.39Å; D515-Q518 WeakPolarHBondContact O-CB 3.47Å; D515-Q518 WeakPolarHBondContact O-CG 3.33Å; D515-Q518 PolarHBondContact O-N 2.96Å; D515-Q518 VanDerWaalsContact O-N 3.11Å
516	L	98.1	Very high	96.2	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-63.7	-14.9	-175.3	-154.3	65.9	0	0	0	113.3	P489 Y512 Q518 L519 L684 G810	P489-L516 HydrophobicContact CB-CD1 3.72Å; P489-L516 HydrophobicContact CB-CD2 4.28Å; P489-L516 HydrophobicContact CG-CD1 4.23Å; Y512-L516 HydrophobicContact CD2-CD1 4.08Å; Y512-L516 WeakPolarHBondContact O-CA 3.38Å; Y512-L516 PolarHBondContact O-N 3.42Å; L516-Q518 PolarHBondContact O-N 2.78Å; L516-L519 HydrophobicContact CD1-CD1 3.62Å; L516-L519 HydrophobicContact CD1-CG 4.05Å; L516-L519 HydrophobicContact CG-CD1 3.77Å; L516-L519 HydrophobicContact CG-CG 4.26Å; L516-L519 WeakPolarHBondContact O-CB 2.88Å; L516-L519 WeakPolarHBondContact O-CG 3.18Å; L516-L519 PolarHBondContact O-N 3.01Å; L516-L519 VanDerWaalsContact O-N 3.17Å; L516-L684 HydrophobicContact CD1-CD1 4.28Å; L516-L684 HydrophobicContact CD2-CD1 4.2Å; L516-L684 HydrophobicContact CD2-CD2 4.48Å; L516-G810 WeakPolarHBondContact O-CA 3.31Å
517	S	97.7	Very high	95.7	Very high	60 Å²	60	51 Å²	51	42%	0.42	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-61.4	-23	175.1	75.3	0	0	0	0	112.5	D515 L519 T520	D515-S517 VanDerWaalsContact CG-OG 3.24Å; D515-S517 PolarHBondContact O-N 3.13Å; D515-S517 WeakPolarHBondContact OD1-CB 3.48Å; D515-S517 PolarHBondContact OD1-N 3.43Å; D515-S517 PolarHBondContact OD1-OG 2.9Å; D515-S517 PolarHBondContact OD2-OG 2.67Å; S517-L519 PolarHBondContact O-N 3.45Å; S517-T520 WeakPolarHBondContact O-CG2 3.48Å; S517-T520 PolarHBondContact O-N 3.5Å; S517-T520 PolarHBondContact O-OG1 3.09Å
518	Q	98.4	Very high	95.7	Very high	31 Å²	31	50.1 Å²	50.1	15%	0.145	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-66	-16	177.3	-62.9	-164.1	40.9	0	0	114	I508 D515 L516 T520 K521	I508-Q518 HydrophobicContact CD1-CB 4.5Å; D515-Q518 HydrophobicContact CB-CG 4.39Å; D515-Q518 WeakPolarHBondContact O-CB 3.47Å; D515-Q518 WeakPolarHBondContact O-CG 3.33Å; D515-Q518 PolarHBondContact O-N 2.96Å; D515-Q518 VanDerWaalsContact O-N 3.11Å; L516-Q518 PolarHBondContact O-N 2.78Å; Q518-T520 PolarHBondContact O-N 3.41Å; Q518-T520 VanDerWaalsContact O-N 3.1Å; Q518-K521 HydrophobicContact CB-CD 4.42Å; Q518-K521 VanDerWaalsContact O-CB 3.26Å; Q518-K521 WeakPolarHBondContact O-CB 3.45Å; Q518-K521 WeakPolarHBondContact O-CG 3.49Å; Q518-K521 PolarHBondContact O-N 2.67Å
519	L	98.5	Very high	95.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-58.2	-23.1	174.3	-67.2	-175.5	0	0	0	112.5	I504 I508 Y512 L516 S517 K521 L522 L684 A807 S809	I504-L519 HydrophobicContact CD1-CD2 4.15Å; I504-L519 HydrophobicContact CG2-CD2 3.78Å; I508-L519 HydrophobicContact CD1-CD2 4.23Å; Y512-L519 HydrophobicContact CD2-CD2 3.98Å; Y512-L519 HydrophobicContact CG-CD2 4.19Å; L516-L519 HydrophobicContact CD1-CD1 3.62Å; L516-L519 HydrophobicContact CD1-CG 4.05Å; L516-L519 HydrophobicContact CG-CD1 3.77Å; L516-L519 HydrophobicContact CG-CG 4.26Å; L516-L519 WeakPolarHBondContact O-CB 2.88Å; L516-L519 WeakPolarHBondContact O-CG 3.18Å; L516-L519 PolarHBondContact O-N 3.01Å; L516-L519 VanDerWaalsContact O-N 3.17Å; S517-L519 PolarHBondContact O-N 3.45Å; L519-K521 PolarHBondContact O-N 2.93Å; L519-K521 VanDerWaalsContact O-N 3.14Å; L519-L522 HydrophobicContact CB-CD1 4.5Å; L519-L522 HydrophobicContact CD2-CD1 4.05Å; L519-L522 WeakPolarHBondContact O-CB 3.28Å; L519-L522 VanDerWaalsContact O-CG 3.3Å; L519-L522 WeakPolarHBondContact O-CG 3.49Å; L519-L522 PolarHBondContact O-N 2.92Å; L519-L684 HydrophobicContact CD1-CD1 3.66Å; L519-A807 CarbonylContact C-O 3.59Å; L519-A807 WeakPolarHBondContact O-CA 3.45Å; L519-S809 WeakPolarHBondContact CD1-OG 3.27Å
520	T	97.8	Very high	95.6	Very high	75 Å²	75	55.6 Å²	55.6	46%	0.46	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-57.1	-27	173	54.6	0	0	0	0	113.3	S517 Q518 L522 H523 A807	S517-T520 WeakPolarHBondContact O-CG2 3.48Å; S517-T520 PolarHBondContact O-N 3.5Å; S517-T520 PolarHBondContact O-OG1 3.09Å; Q518-T520 PolarHBondContact O-N 3.41Å; Q518-T520 VanDerWaalsContact O-N 3.1Å; T520-L522 PolarHBondContact O-N 3.05Å; T520-H523 WeakPolarHBondContact O-CB 3.46Å; T520-H523 PolarHBondContact O-N 3.11Å; T520-H523 VanDerWaalsContact O-N 3.09Å; T520-H523 PolarHBondContact O-ND1 3.19Å; T520-A807 PolarHBondContact N-O 2.91Å
521	K	98.2	Very high	95.6	Very high	101 Å²	101	52.1 Å²	52.1	44%	0.439	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-59.9	-24.6	174.2	-66.2	173.3	-179.5	174.1	0	112.4	I508 Q518 L519 H523 S524	I508-K521 HydrophobicContact CB-CB 4.45Å; I508-K521 HydrophobicContact CB-CD 4.29Å; I508-K521 HydrophobicContact CG2-CB 3.75Å; I508-K521 HydrophobicContact CG2-CD 4.42Å; Q518-K521 HydrophobicContact CB-CD 4.42Å; Q518-K521 VanDerWaalsContact O-CB 3.26Å; Q518-K521 WeakPolarHBondContact O-CB 3.45Å; Q518-K521 WeakPolarHBondContact O-CG 3.49Å; Q518-K521 PolarHBondContact O-N 2.67Å; L519-K521 PolarHBondContact O-N 2.93Å; L519-K521 VanDerWaalsContact O-N 3.14Å; K521-H523 PolarHBondContact O-N 3.31Å; K521-S524 PolarHBondContact O-N 3.41Å; K521-S524 VanDerWaalsContact O-N 3.13Å; K521-S524 PolarHBondContact O-OG 3.13Å
522	L	97.8	Very high	95.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-63.6	-18.4	177.1	-63.5	176.3	0	0	0	113	I504 I508 L519 T520 S524 F525 F531 L803 I806 A807	I504-L522 HydrophobicContact CD1-CD1 4.45Å; I504-L522 HydrophobicContact CG1-CD1 4.14Å; I504-L522 HydrophobicContact CG2-CD1 4.44Å; I508-L522 HydrophobicContact CD1-CG 4.49Å; I508-L522 HydrophobicContact CG2-CD2 4Å; L519-L522 HydrophobicContact CB-CD1 4.5Å; L519-L522 HydrophobicContact CD2-CD1 4.05Å; L519-L522 WeakPolarHBondContact O-CB 3.28Å; L519-L522 VanDerWaalsContact O-CG 3.3Å; L519-L522 WeakPolarHBondContact O-CG 3.49Å; L519-L522 PolarHBondContact O-N 2.92Å; T520-L522 PolarHBondContact O-N 3.05Å; L522-S524 PolarHBondContact O-N 3.22Å; L522-F525 HydrophobicContact CD2-CD2 4.47Å; L522-F525 PolarHBondContact O-N 2.89Å; L522-F531 HydrophobicContact CD2-CE1 4.48Å; L522-F531 HydrophobicContact CD2-CZ 4.07Å; L522-L803 HydrophobicContact CB-CD1 3.96Å; L522-L803 HydrophobicContact CD1-CD1 4.48Å; L522-I806 HydrophobicContact CD1-CG2 3.93Å; L522-A807 HydrophobicContact CB-CB 4.02Å
523	H	95.1	Very high	95.8	Very high	82 Å²	82	55 Å²	55	38%	0.38	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-58.7	-27.9	172.2	-71.7	147.9	0	0	0	113.3	T520 K521 F525 L526 A807	T520-H523 WeakPolarHBondContact O-CB 3.46Å; T520-H523 PolarHBondContact O-N 3.11Å; T520-H523 VanDerWaalsContact O-N 3.09Å; T520-H523 PolarHBondContact O-ND1 3.19Å; K521-H523 PolarHBondContact O-N 3.31Å; H523-F525 PolarHBondContact O-N 2.92Å; H523-L526 HydrophobicContact CB-CD1 4.12Å; H523-L526 VanDerWaalsContact O-CB 3.28Å; H523-L526 WeakPolarHBondContact O-CB 3.36Å; H523-L526 WeakPolarHBondContact O-CD1 3.25Å; H523-L526 VanDerWaalsContact O-CG 3.27Å; H523-L526 WeakPolarHBondContact O-CG 3.4Å; H523-L526 PolarHBondContact O-N 3.41Å; H523-L526 VanDerWaalsContact O-N 3.07Å; H523-A807 WeakPolarHBondContact NE2-CB 3.38Å
524	S	96.2	Very high	95.9	Very high	93 Å²	93	58.1 Å²	58.1	65%	0.65	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-65.9	-15	176.6	62.5	0	0	0	0	113.8	K521 L522	K521-S524 PolarHBondContact O-N 3.41Å; K521-S524 VanDerWaalsContact O-N 3.13Å; K521-S524 PolarHBondContact O-OG 3.13Å; L522-S524 PolarHBondContact O-N 3.22Å
525	F	95.9	Very high	96.2	Very high	40 Å²	40	54.7 Å²	54.7	18%	0.175	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-99.7	7.7	176.3	-56.1	-87.3	0	0	0	112.4	K507 I508 L522 H523 G527 D528 F531	K507-F525 HydrophobicContact CB-CE1 4.33Å; K507-F525 HydrophobicContact CB-CE2 3.83Å; K507-F525 HydrophobicContact CB-CZ 3.7Å; K507-F525 HydrophobicContact CD-CD1 4.34Å; K507-F525 HydrophobicContact CD-CE1 3.76Å; K507-F525 HydrophobicContact CD-CZ 3.99Å; K507-F525 HydrophobicContact CG-CE1 4.2Å; K507-F525 HydrophobicContact CG-CE2 4.38Å; K507-F525 HydrophobicContact CG-CZ 4.08Å; I508-F525 HydrophobicContact CG2-CE2 4.32Å; L522-F525 HydrophobicContact CD2-CD2 4.47Å; L522-F525 PolarHBondContact O-N 2.89Å; H523-F525 PolarHBondContact O-N 2.92Å; F525-G527 PolarHBondContact O-N 3.02Å; F525-G527 VanDerWaalsContact O-N 3.12Å; F525-D528 HydrophobicContact CB-CB 4.31Å; F525-D528 WeakPolarHBondContact O-CB 3.4Å; F525-D528 PolarHBondContact O-N 2.92Å; F525-F531 HydrophobicContact CB-CD1 3.63Å; F525-F531 HydrophobicContact CB-CE1 4.08Å; F525-F531 HydrophobicContact CB-CG 4.21Å; F525-F531 HydrophobicContact CG-CD1 4.33Å
526	L	91.3	Very high	96.3	Very high	69 Å²	69	53.1 Å²	53.1	36%	0.361	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	112.9	169.1	-70.5	170.2	0	0	0	109.1	H523 T800 L803 K804	H523-L526 HydrophobicContact CB-CD1 4.12Å; H523-L526 VanDerWaalsContact O-CB 3.28Å; H523-L526 WeakPolarHBondContact O-CB 3.36Å; H523-L526 WeakPolarHBondContact O-CD1 3.25Å; H523-L526 VanDerWaalsContact O-CG 3.27Å; H523-L526 WeakPolarHBondContact O-CG 3.4Å; H523-L526 PolarHBondContact O-N 3.41Å; H523-L526 VanDerWaalsContact O-N 3.07Å; L526-T800 HydrophobicContact CD2-CG2 4.09Å; L526-L803 HydrophobicContact CD2-CB 4.49Å; L526-L803 HydrophobicContact CD2-CD2 4.01Å; L526-L803 HydrophobicContact CD2-CG 4.15Å; L526-K804 HydrophobicContact CD1-CG 4.39Å; L526-K804 HydrophobicContact CD2-CG 3.72Å
527	G	86.8	Confident	96.3	Very high	55 Å²	55	58 Å²	58	57%	0.567	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	-5	-175.5	0	0	0	0	0	114.6	F525 D529	F525-G527 PolarHBondContact O-N 3.02Å; F525-G527 VanDerWaalsContact O-N 3.12Å; G527-D529 PolarHBondContact O-N 2.65Å
528	D	95.4	Very high	96.3	Very high	50 Å²	50	55.9 Å²	55.9	27%	0.267	30%	0.295	S	S	.	.			trans	-76.5	99.2	169	-175.9	-16.2	0	0	0	110.1	F525 I530 F531 L532	F525-D528 HydrophobicContact CB-CB 4.31Å; F525-D528 WeakPolarHBondContact O-CB 3.4Å; F525-D528 PolarHBondContact O-N 2.92Å; D528-I530 PolarHBondContact O-N 2.87Å; D528-I530 WeakPolarHBondContact OD1-CA 3.13Å; D528-I530 WeakPolarHBondContact OD1-CB 2.93Å; D528-I530 PolarHBondContact OD1-N 2.83Å; D528-F531 HydrophobicContact CB-CB 3.91Å; D528-F531 PolarHBondContact O-N 2.97Å; D528-F531 PolarHBondContact OD1-N 2.96Å; D528-L532 WeakPolarHBondContact O-CG 3.19Å; D528-L532 PolarHBondContact O-N 2.99Å
529	D	95.1	Very high	96.3	Very high	73 Å²	73	55.5 Å²	55.5	39%	0.39	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-20.1	179.7	-77.9	-17.8	0	0	0	113.5	G527 R533 K796	G527-D529 PolarHBondContact O-N 2.65Å; D529-R533 VanDerWaalsContact O-CG 3.29Å; D529-R533 WeakPolarHBondContact O-CG 2.92Å; D529-R533 PolarHBondContact O-N 3.46Å; D529-R533 PolarHBondContact O-NE 3.28Å; D529-K796 WeakPolarHBondContact OD1-CE 3.43Å; D529-K796 IonicContact OD1-NZ 3.47Å; D529-K796 PolarHBondContact OD1-NZ 3.33Å; D529-K796 IonicContact OD2-NZ 3.34Å; D529-K796 PolarHBondContact OD2-NZ 3.09Å
530	I	96.2	Very high	96.3	Very high	97 Å²	97	59.2 Å²	59.2	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-75	-51.8	173.3	-62.5	170.6	0	0	0	108.4	D528 L532 R533 E534	D528-I530 PolarHBondContact O-N 2.87Å; D528-I530 WeakPolarHBondContact OD1-CA 3.13Å; D528-I530 WeakPolarHBondContact OD1-CB 2.93Å; D528-I530 PolarHBondContact OD1-N 2.83Å; I530-L532 VanDerWaalsContact C-N 3.35Å; I530-L532 PolarHBondContact O-N 3.03Å; I530-R533 WeakPolarHBondContact O-CB 3.21Å; I530-R533 PolarHBondContact O-N 2.62Å; I530-E534 PolarHBondContact O-N 3.01Å
531	F	96.4	Very high	96.4	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.013	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-41.8	-179.1	-173.7	-116	0	0	0	112.6	L503 K507 L522 F525 D528 R533 E534 L535 L803	L503-F531 HydrophobicContact CD1-CD2 3.94Å; L503-F531 HydrophobicContact CD1-CE2 3.71Å; L503-F531 HydrophobicContact CD2-CE2 4.13Å; L503-F531 HydrophobicContact CG-CD2 4.3Å; L503-F531 HydrophobicContact CG-CE2 3.63Å; L503-F531 HydrophobicContact CG-CZ 4.38Å; K507-F531 HydrophobicContact CD-CD2 4.33Å; K507-F531 HydrophobicContact CD-CE2 4.39Å; K507-F531 VanDerWaalsContact CE-CD2 3.44Å; K507-F531 HydrophobicContact CG-CD2 3.98Å; K507-F531 HydrophobicContact CG-CE2 3.57Å; K507-F531 HydrophobicContact CG-CZ 4.27Å; L522-F531 HydrophobicContact CD2-CE1 4.48Å; L522-F531 HydrophobicContact CD2-CZ 4.07Å; F525-F531 HydrophobicContact CB-CD1 3.63Å; F525-F531 HydrophobicContact CB-CE1 4.08Å; F525-F531 HydrophobicContact CB-CG 4.21Å; F525-F531 HydrophobicContact CG-CD1 4.33Å; D528-F531 HydrophobicContact CB-CB 3.91Å; D528-F531 PolarHBondContact O-N 2.97Å; D528-F531 PolarHBondContact OD1-N 2.96Å; F531-R533 VanDerWaalsContact C-N 3.27Å; F531-R533 PolarHBondContact O-N 2.99Å; F531-E534 PolarHBondContact O-N 3.28Å; F531-L535 WeakPolarHBondContact O-CB 3.2Å; F531-L535 PolarHBondContact O-N 3.19Å; F531-L803 HydrophobicContact CD1-CD1 4.43Å; F531-L803 HydrophobicContact CD1-CD2 3.94Å; F531-L803 HydrophobicContact CE1-CD1 3.62Å; F531-L803 HydrophobicContact CE1-CD2 3.95Å; F531-L803 HydrophobicContact CE1-CG 4.45Å
532	L	96.9	Very high	96.4	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-33.9	175.3	-68.6	178.9	0	0	0	112.7	D528 I530 A536 N799 L803	D528-L532 WeakPolarHBondContact O-CG 3.19Å; D528-L532 PolarHBondContact O-N 2.99Å; I530-L532 VanDerWaalsContact C-N 3.35Å; I530-L532 PolarHBondContact O-N 3.03Å; L532-A536 WeakPolarHBondContact O-CB 3.5Å; L532-A536 PolarHBondContact O-N 2.94Å; L532-A536 VanDerWaalsContact O-N 3.07Å; L532-N799 HydrophobicContact CB-CB 4.47Å; L532-N799 HydrophobicContact CD2-CB 4.22Å; L532-L803 HydrophobicContact CD2-CB 4.19Å; L532-L803 HydrophobicContact CD2-CD2 3.92Å
533	R	96.4	Very high	96.5	Very high	167 Å²	167	55.8 Å²	55.8	63%	0.63	29%	0.291	S	S	*	.	H	α-helix	trans	-71.6	-39.2	175	-79.4	-178.7	-73.1	165.1	-4.3	111.9	D529 I530 F531 A536 K537	D529-R533 VanDerWaalsContact O-CG 3.29Å; D529-R533 WeakPolarHBondContact O-CG 2.92Å; D529-R533 PolarHBondContact O-N 3.46Å; D529-R533 PolarHBondContact O-NE 3.28Å; I530-R533 WeakPolarHBondContact O-CB 3.21Å; I530-R533 PolarHBondContact O-N 2.62Å; F531-R533 VanDerWaalsContact C-N 3.27Å; F531-R533 PolarHBondContact O-N 2.99Å; R533-A536 PolarHBondContact O-N 3Å; R533-K537 WeakPolarHBondContact O-CB 3.44Å; R533-K537 PolarHBondContact O-N 3.28Å
534	E	97.8	Very high	96.6	Very high	68 Å²	68	55.8 Å²	55.8	32%	0.318	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-42	175.4	-68	178	138.2	0	0	111.2	L503 I530 F531 A536 K537 V538	L503-E534 HydrophobicContact CD1-CB 3.74Å; L503-E534 HydrophobicContact CD2-CB 4.04Å; I530-E534 PolarHBondContact O-N 3.01Å; F531-E534 PolarHBondContact O-N 3.28Å; E534-A536 PolarHBondContact O-N 2.99Å; E534-K537 WeakPolarHBondContact O-CB 3.44Å; E534-K537 PolarHBondContact O-N 2.85Å; E534-V538 WeakPolarHBondContact O-CG2 3.44Å; E534-V538 PolarHBondContact O-N 3.05Å
535	L	97.8	Very high	96.7	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-47.3	174.3	-177.6	63.5	0	0	0	111.7	L500 L503 F531 K537 V538 K539 V802 L803 I806	L500-L535 HydrophobicContact CD1-CD1 3.53Å; L503-L535 HydrophobicContact CD2-CB 4.2Å; L503-L535 HydrophobicContact CD2-CD1 4.42Å; F531-L535 WeakPolarHBondContact O-CB 3.2Å; F531-L535 PolarHBondContact O-N 3.19Å; L535-K537 VanDerWaalsContact C-N 3.3Å; L535-K537 PolarHBondContact O-N 2.84Å; L535-V538 PolarHBondContact O-N 3.22Å; L535-K539 PolarHBondContact O-N 3.35Å; L535-V802 HydrophobicContact CD2-CG1 4.05Å; L535-L803 HydrophobicContact CD2-CB 4.06Å; L535-I806 HydrophobicContact CD1-CD1 3.83Å; L535-I806 HydrophobicContact CD2-CD1 4.47Å
536	A	97.9	Very high	96.8	Very high	31 Å²	31	55 Å²	55	26%	0.256	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-38.3	176.3	0	0	0	0	0	112.2	L532 R533 E534 K539 Q540 N799	L532-A536 WeakPolarHBondContact O-CB 3.5Å; L532-A536 PolarHBondContact O-N 2.94Å; L532-A536 VanDerWaalsContact O-N 3.07Å; R533-A536 PolarHBondContact O-N 3Å; E534-A536 PolarHBondContact O-N 2.99Å; A536-K539 PolarHBondContact O-N 2.8Å; A536-Q540 PolarHBondContact O-N 2.92Å; A536-N799 WeakPolarHBondContact CB-ND2 3.26Å
537	K	98.4	Very high	97.1	Very high	106 Å²	106	52.2 Å²	52.2	46%	0.461	26%	0.264	S	S	.	.	H	α-helix	trans	-62	-46.2	177	177.3	179	171.2	178	0	111.4	R533 E534 L535 K539 Q540 E541	R533-K537 WeakPolarHBondContact O-CB 3.44Å; R533-K537 PolarHBondContact O-N 3.28Å; E534-K537 WeakPolarHBondContact O-CB 3.44Å; E534-K537 PolarHBondContact O-N 2.85Å; L535-K537 VanDerWaalsContact C-N 3.3Å; L535-K537 PolarHBondContact O-N 2.84Å; K537-K539 VanDerWaalsContact C-N 3.33Å; K537-K539 PolarHBondContact O-N 3.31Å; K537-Q540 PolarHBondContact O-N 3.44Å; K537-Q540 VanDerWaalsContact O-N 3.16Å; K537-E541 WeakPolarHBondContact CE-OE1 3.48Å; K537-E541 WeakPolarHBondContact O-CG 3.42Å; K537-E541 PolarHBondContact O-N 3.09Å
538	V	98.5	Very high	97.6	Very high	14 Å²	14	54.8 Å²	54.8	9%	0.085	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-45.4	176.4	171.8	0	0	0	0	111.1	L500 L503 E534 L535 Q540 E541 N542	L500-V538 HydrophobicContact CB-CG1 3.94Å; L503-V538 HydrophobicContact CD2-CG2 4.17Å; E534-V538 WeakPolarHBondContact O-CG2 3.44Å; E534-V538 PolarHBondContact O-N 3.05Å; L535-V538 PolarHBondContact O-N 3.22Å; V538-Q540 VanDerWaalsContact C-N 3.33Å; V538-Q540 PolarHBondContact O-N 2.93Å; V538-E541 PolarHBondContact O-N 2.83Å; V538-N542 PolarHBondContact O-N 2.79Å; V538-N542 PolarHBondContact O-ND2 2.8Å
539	K	98.8	Very high	97.6	Very high	23 Å²	23	54.1 Å²	54.1	10%	0.1	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-44.4	175.8	-177.7	60.7	59.8	179.3	0	111.6	L535 A536 K537 N542 K543 P659 T661 N685	L535-K539 PolarHBondContact O-N 3.35Å; A536-K539 PolarHBondContact O-N 2.8Å; K537-K539 VanDerWaalsContact C-N 3.33Å; K537-K539 PolarHBondContact O-N 3.31Å; K539-N542 PolarHBondContact O-N 2.94Å; K539-K543 HydrophobicContact CD-CD 4.32Å; K539-K543 HydrophobicContact CD-CG 4.48Å; K539-K543 HydrophobicContact CG-CD 4.06Å; K539-K543 VanDerWaalsContact O-CG 3.32Å; K539-K543 WeakPolarHBondContact O-CG 3.35Å; K539-K543 PolarHBondContact O-N 2.95Å; K539-P659 PolarHBondContact NZ-O 3.11Å; K539-T661 WeakPolarHBondContact CE-O 3.25Å; K539-T661 PolarHBondContact NZ-O 2.69Å; K539-N685 PolarHBondContact NZ-O 3Å
540	Q	98.6	Very high	97.7	Very high	78 Å²	78	50.8 Å²	50.8	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-39	179.4	-168.9	60.1	39.8	0	0	112.7	A536 K537 V538 K543 L544 P560	A536-Q540 PolarHBondContact O-N 2.92Å; K537-Q540 PolarHBondContact O-N 3.44Å; K537-Q540 VanDerWaalsContact O-N 3.16Å; V538-Q540 VanDerWaalsContact C-N 3.33Å; V538-Q540 PolarHBondContact O-N 2.93Å; Q540-K543 PolarHBondContact O-N 2.91Å; Q540-L544 WeakPolarHBondContact O-CB 3.42Å; Q540-L544 PolarHBondContact O-N 3.45Å; Q540-P560 PolarHBondContact NE2-O 3.35Å; Q540-P560 VanDerWaalsContact NE2-O 3.1Å
541	E	98.6	Very high	97.6	Very high	77 Å²	77	50.7 Å²	50.7	36%	0.36	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-45.2	174.2	-73.1	173.5	-178.1	0	0	111	R12 K537 V538 K543 L544 K545	R12-E541 IonicContact NH1-OE2 3.88Å; K537-E541 WeakPolarHBondContact CE-OE1 3.48Å; K537-E541 WeakPolarHBondContact O-CG 3.42Å; K537-E541 PolarHBondContact O-N 3.09Å; V538-E541 PolarHBondContact O-N 2.83Å; E541-K543 PolarHBondContact O-N 3.09Å; E541-L544 PolarHBondContact O-N 2.84Å; E541-K545 PolarHBondContact O-N 3.08Å
542	N	98.8	Very high	97.5	Very high	28 Å²	28	57 Å²	57	15%	0.15	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-42.3	176.3	-70.1	-21.4	0	0	0	112.2	N497 V538 K539 L544 K545 F546 P659 A660	N497-N542 PolarHBondContact OD1-ND2 2.86Å; V538-N542 PolarHBondContact O-N 2.79Å; V538-N542 PolarHBondContact O-ND2 2.8Å; K539-N542 PolarHBondContact O-N 2.94Å; N542-L544 VanDerWaalsContact C-N 3.33Å; N542-L544 PolarHBondContact O-N 3.36Å; N542-K545 PolarHBondContact O-N 3.21Å; N542-F546 WeakPolarHBondContact O-CB 3.45Å; N542-F546 PolarHBondContact O-N 3.29Å; N542-P659 HydrophobicContact CB-CB 4.2Å; N542-P659 WeakPolarHBondContact CB-O 3.49Å; N542-P659 PolarHBondContact ND2-O 2.97Å; N542-A660 HydrophobicContact CB-CB 4.46Å
543	K	98.8	Very high	97.2	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-42	175.8	-73.8	172	67.2	173.9	0	111.9	K539 Q540 E541 F546 S547 P560 S562 F564 A660 D662 Y792	K539-K543 HydrophobicContact CD-CD 4.32Å; K539-K543 HydrophobicContact CD-CG 4.48Å; K539-K543 HydrophobicContact CG-CD 4.06Å; K539-K543 VanDerWaalsContact O-CG 3.32Å; K539-K543 WeakPolarHBondContact O-CG 3.35Å; K539-K543 PolarHBondContact O-N 2.95Å; Q540-K543 PolarHBondContact O-N 2.91Å; E541-K543 PolarHBondContact O-N 3.09Å; K543-F546 PolarHBondContact O-N 3.37Å; K543-S547 WeakPolarHBondContact O-CB 3.04Å; K543-S547 PolarHBondContact O-N 2.63Å; K543-S547 PolarHBondContact O-OG 3.48Å; K543-P560 WeakPolarHBondContact CE-O 3.28Å; K543-P560 PolarHBondContact NZ-O 3.01Å; K543-S562 WeakPolarHBondContact CE-O 3.24Å; K543-S562 PolarHBondContact NZ-O 2.78Å; K543-F564 HydrophobicContact CB-CD2 4.4Å; K543-F564 HydrophobicContact CB-CE2 3.88Å; K543-F564 HydrophobicContact CB-CZ 4.18Å; K543-F564 HydrophobicContact CG-CD2 3.84Å; K543-F564 HydrophobicContact CG-CE2 3.85Å; K543-F564 HydrophobicContact CG-CG 4.39Å; K543-F564 HydrophobicContact CG-CZ 4.4Å; K543-A660 HydrophobicContact CG-CB 4.33Å; K543-A660 WeakPolarHBondContact CG-O 3.25Å; K543-D662 VanDerWaalsContact CE-OD2 3.29Å; K543-D662 WeakPolarHBondContact CE-OD2 3.41Å; K543-D662 IonicContact NZ-OD1 2.82Å; K543-D662 IonicContact NZ-OD2 3.86Å; K543-D662 PolarHBondContact NZ-OD2 3.04Å; K543-Y792 PolarHBondContact NZ-OH 2.81Å
544	L	98.5	Very high	96.9	Very high	82 Å²	82	57 Å²	57	43%	0.429	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-46.7	177.1	-174.6	63.6	0	0	0	111.4	Q540 E541 N542 F546 S547 Q548 P560	Q540-L544 WeakPolarHBondContact O-CB 3.42Å; Q540-L544 PolarHBondContact O-N 3.45Å; E541-L544 PolarHBondContact O-N 2.84Å; N542-L544 VanDerWaalsContact C-N 3.33Å; N542-L544 PolarHBondContact O-N 3.36Å; L544-F546 VanDerWaalsContact C-N 3.32Å; L544-F546 PolarHBondContact O-N 2.76Å; L544-S547 PolarHBondContact O-N 2.63Å; L544-Q548 WeakPolarHBondContact O-CG 3.32Å; L544-Q548 PolarHBondContact O-N 3.28Å; L544-P560 HydrophobicContact CD1-CG 4.46Å
545	K	97.4	Very high	96.6	Very high	113 Å²	113	61.7 Å²	61.7	49%	0.491	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-43.8	176.4	-169.7	172.1	-174.1	170.7	0	111.3	E121 E541 N542 Q548 F549	E121-K545 IonicContact OE1-NZ 3.69Å; E121-K545 PolarHBondContact OE1-NZ 3.04Å; E121-K545 IonicContact OE2-NZ 3.64Å; E121-K545 PolarHBondContact OE2-NZ 3.36Å; E541-K545 PolarHBondContact O-N 3.08Å; N542-K545 PolarHBondContact O-N 3.21Å; K545-Q548 PolarHBondContact O-N 3.11Å; K545-F549 PolarHBondContact O-N 3.27Å
546	F	98.4	Very high	96.3	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-38.3	177.2	-172.1	-111.8	0	0	0	112.6	N542 K543 L544 F549 L550 F564 I605 L646 K656 V657 A660	N542-F546 WeakPolarHBondContact O-CB 3.45Å; N542-F546 PolarHBondContact O-N 3.29Å; K543-F546 PolarHBondContact O-N 3.37Å; L544-F546 VanDerWaalsContact C-N 3.32Å; L544-F546 PolarHBondContact O-N 2.76Å; F546-F549 HydrophobicContact CD2-CD1 4.12Å; F546-F549 AromaticContact CE2-CD1 4Å; F546-F549 HydrophobicContact CE2-CD1 4Å; F546-F549 HydrophobicContact CE2-CE1 4.31Å; F546-F549 WeakPolarHBondContact O-CB 3.24Å; F546-F549 PolarHBondContact O-N 2.67Å; F546-L550 HydrophobicContact CD1-CD1 4.22Å; F546-L550 HydrophobicContact CD1-CG 4.37Å; F546-L550 HydrophobicContact CE1-CD1 3.7Å; F546-L550 HydrophobicContact CE1-CD2 4.27Å; F546-L550 HydrophobicContact CE1-CG 3.99Å; F546-L550 HydrophobicContact CE2-CD2 4.34Å; F546-L550 HydrophobicContact CZ-CD1 4.17Å; F546-L550 HydrophobicContact CZ-CD2 3.89Å; F546-L550 HydrophobicContact CZ-CG 4.09Å; F546-L550 WeakPolarHBondContact O-CG 3.23Å; F546-L550 PolarHBondContact O-N 2.89Å; F546-F564 HydrophobicContact CD1-CD2 4.36Å; F546-F564 AromaticContact CD1-CE2 3.95Å; F546-F564 HydrophobicContact CD1-CE2 3.95Å; F546-I605 HydrophobicContact CE1-CD1 3.86Å; F546-L646 HydrophobicContact CZ-CD1 4.18Å; F546-L646 HydrophobicContact CZ-CD2 4.41Å; F546-K656 HydrophobicContact CD2-CB 4.09Å; F546-K656 HydrophobicContact CE2-CB 4.29Å; F546-V657 HydrophobicContact CE1-CG2 4.02Å; F546-V657 HydrophobicContact CE2-CB 3.81Å; F546-V657 HydrophobicContact CE2-CG2 4.17Å; F546-V657 HydrophobicContact CZ-CB 3.83Å; F546-V657 HydrophobicContact CZ-CG2 3.68Å; F546-A660 HydrophobicContact CB-CB 3.62Å; F546-A660 HydrophobicContact CD1-CB 4.3Å; F546-A660 HydrophobicContact CG-CB 4.01Å
547	S	97.9	Very high	96.1	Very high	9 Å²	9	68.9 Å²	68.9	6%	0.063	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-42.1	176.8	-56.9	0	0	0	0	111.6	K543 L544 L550 E551 I558 F564	K543-S547 WeakPolarHBondContact O-CB 3.04Å; K543-S547 PolarHBondContact O-N 2.63Å; K543-S547 PolarHBondContact O-OG 3.48Å; L544-S547 PolarHBondContact O-N 2.63Å; S547-L550 PolarHBondContact O-N 3.47Å; S547-E551 PolarHBondContact O-N 3.26Å; S547-I558 WeakPolarHBondContact OG-CD1 3.25Å; S547-I558 WeakPolarHBondContact OG-CG1 3.43Å; S547-F564 WeakPolarHBondContact OG-CZ 3.41Å
548	Q	97.1	Very high	95.9	Very high	110 Å²	110	64.7 Å²	64.7	51%	0.514	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-40.1	174.4	-71.2	170.3	-11.5	0	0	112	L544 K545 E551 K552	L544-Q548 WeakPolarHBondContact O-CG 3.32Å; L544-Q548 PolarHBondContact O-N 3.28Å; K545-Q548 PolarHBondContact O-N 3.11Å; Q548-E551 PolarHBondContact O-N 3.12Å; Q548-K552 WeakPolarHBondContact O-CB 3.5Å; Q548-K552 PolarHBondContact O-N 3.04Å
549	F	96.1	Very high	95.8	Very high	36 Å²	36	66.3 Å²	66.3	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-46.6	174.2	166.7	-97.1	0	0	0	111.7	K545 F546 E551 K552 E553 Y554 L653 K656	K545-F549 PolarHBondContact O-N 3.27Å; F546-F549 HydrophobicContact CD2-CD1 4.12Å; F546-F549 AromaticContact CE2-CD1 4Å; F546-F549 HydrophobicContact CE2-CD1 4Å; F546-F549 HydrophobicContact CE2-CE1 4.31Å; F546-F549 WeakPolarHBondContact O-CB 3.24Å; F546-F549 PolarHBondContact O-N 2.67Å; F549-E551 VanDerWaalsContact C-N 3.34Å; F549-E551 PolarHBondContact O-N 3.37Å; F549-K552 PolarHBondContact O-N 3.16Å; F549-E553 HydrophobicContact CD2-CG 3.73Å; F549-E553 HydrophobicContact CE2-CB 4.31Å; F549-E553 HydrophobicContact CE2-CG 3.51Å; F549-E553 HydrophobicContact CZ-CB 4.47Å; F549-E553 HydrophobicContact CZ-CG 4.13Å; F549-E553 WeakPolarHBondContact O-CB 3.48Å; F549-E553 PolarHBondContact O-N 2.97Å; F549-Y554 HydrophobicContact CE1-CD2 4.35Å; F549-Y554 AromaticContact CE1-CE2 3.72Å; F549-Y554 HydrophobicContact CE1-CE2 3.72Å; F549-Y554 AromaticContact CZ-CE2 3.92Å; F549-Y554 HydrophobicContact CZ-CE2 3.92Å; F549-L653 HydrophobicContact CE1-CD1 3.57Å; F549-L653 HydrophobicContact CZ-CD1 3.77Å; F549-K656 HydrophobicContact CD1-CD 4.29Å; F549-K656 HydrophobicContact CD2-CD 3.86Å; F549-K656 HydrophobicContact CE1-CD 4.17Å; F549-K656 HydrophobicContact CE2-CD 3.71Å; F549-K656 HydrophobicContact CG-CD 4.15Å; F549-K656 HydrophobicContact CZ-CD 3.89Å
550	L	95.6	Very high	95.7	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-63.8	-38	177.4	-66.3	-173.8	0	0	0	112.9	F546 S547 Y554 K555 V556 I558 I644 L646	F546-L550 HydrophobicContact CD1-CD1 4.22Å; F546-L550 HydrophobicContact CD1-CG 4.37Å; F546-L550 HydrophobicContact CE1-CD1 3.7Å; F546-L550 HydrophobicContact CE1-CD2 4.27Å; F546-L550 HydrophobicContact CE1-CG 3.99Å; F546-L550 HydrophobicContact CE2-CD2 4.34Å; F546-L550 HydrophobicContact CZ-CD1 4.17Å; F546-L550 HydrophobicContact CZ-CD2 3.89Å; F546-L550 HydrophobicContact CZ-CG 4.09Å; F546-L550 WeakPolarHBondContact O-CG 3.23Å; F546-L550 PolarHBondContact O-N 2.89Å; S547-L550 PolarHBondContact O-N 3.47Å; L550-Y554 HydrophobicContact CD2-CD2 3.71Å; L550-Y554 HydrophobicContact CD2-CE2 4.13Å; L550-Y554 CarbonylContact O-C 3.57Å; L550-Y554 WeakPolarHBondContact O-CA 3.47Å; L550-Y554 WeakPolarHBondContact O-CB 3.35Å; L550-Y554 PolarHBondContact O-N 2.76Å; L550-K555 PolarHBondContact O-N 3.02Å; L550-V556 CarbonylContact C-O 3.6Å; L550-V556 PolarHBondContact O-N 3.29Å; L550-I558 HydrophobicContact CD1-CD1 3.81Å; L550-I558 HydrophobicContact CD1-CG1 4.49Å; L550-I558 HydrophobicContact CD1-CG2 4.4Å; L550-I644 HydrophobicContact CD1-CD1 4.12Å; L550-L646 HydrophobicContact CD2-CD1 3.83Å
551	E	95.5	Very high	95.7	Very high	95 Å²	95	67 Å²	67	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-68.9	-39.1	176.8	-173.6	167.6	-155.8	0	0	111.8	S547 Q548 F549 K555 V556	S547-E551 PolarHBondContact O-N 3.26Å; Q548-E551 PolarHBondContact O-N 3.12Å; F549-E551 VanDerWaalsContact C-N 3.34Å; F549-E551 PolarHBondContact O-N 3.37Å; E551-K555 VanDerWaalsContact O-CA 3.31Å; E551-K555 WeakPolarHBondContact O-CA 3.16Å; E551-K555 WeakPolarHBondContact O-CD 3.35Å; E551-K555 PolarHBondContact O-N 3.31Å; E551-V556 PolarHBondContact N-O 3.38Å
552	K	93.4	Very high	95.6	Very high	137 Å²	137	63.4 Å²	63.4	60%	0.596	31%	0.305	S	S	*	.	H	α-helix	trans	-68.9	-53.5	178.4	-175.5	-178.1	171.5	-178.9	0	111.9	Q548 F549 K555	Q548-K552 WeakPolarHBondContact O-CB 3.5Å; Q548-K552 PolarHBondContact O-N 3.04Å; F549-K552 PolarHBondContact O-N 3.16Å; K552-K555 PolarHBondContact O-NZ 2.86Å
553	E	90.7	Very high	95.6	Very high	108 Å²	108	62 Å²	62	51%	0.505	30%	0.298	S	S	.	.	H	α-helix	trans	-86.8	-42.2	-169.2	-62.1	-55.5	129.7	0	0	112.9	F549	F549-E553 HydrophobicContact CD2-CG 3.73Å; F549-E553 HydrophobicContact CE2-CB 4.31Å; F549-E553 HydrophobicContact CE2-CG 3.51Å; F549-E553 HydrophobicContact CZ-CB 4.47Å; F549-E553 HydrophobicContact CZ-CG 4.13Å; F549-E553 WeakPolarHBondContact O-CB 3.48Å; F549-E553 PolarHBondContact O-N 2.97Å
554	Y	89.8	Confident	95.7	Very high	64 Å²	64	62 Å²	62	25%	0.251	30%	0.298	S	S	.	.	S	Bend	trans	-108.1	-3.4	-173.8	-59.8	-76.9	0	0	0	113.5	F549 L550 V556 E647	F549-Y554 HydrophobicContact CE1-CD2 4.35Å; F549-Y554 AromaticContact CE1-CE2 3.72Å; F549-Y554 HydrophobicContact CE1-CE2 3.72Å; F549-Y554 AromaticContact CZ-CE2 3.92Å; F549-Y554 HydrophobicContact CZ-CE2 3.92Å; L550-Y554 HydrophobicContact CD2-CD2 3.71Å; L550-Y554 HydrophobicContact CD2-CE2 4.13Å; L550-Y554 CarbonylContact O-C 3.57Å; L550-Y554 WeakPolarHBondContact O-CA 3.47Å; L550-Y554 WeakPolarHBondContact O-CB 3.35Å; L550-Y554 PolarHBondContact O-N 2.76Å; Y554-V556 WeakPolarHBondContact O-CG2 3.46Å; Y554-V556 PolarHBondContact O-N 3.5Å; Y554-E647 HydrophobicContact CE1-CB 3.92Å; Y554-E647 PolarHBondContact OH-O 3.43Å; Y554-E647 VanDerWaalsContact OH-O 3.09Å
555	K	93	Very high	95.7	Very high	167 Å²	167	58.1 Å²	58.1	73%	0.726	28%	0.278	S	S	*	.			trans	57.2	28.3	-175.8	-49.8	-50.6	-175.2	-163.3	0	113.2	L550 E551 K552	L550-K555 PolarHBondContact O-N 3.02Å; E551-K555 VanDerWaalsContact O-CA 3.31Å; E551-K555 WeakPolarHBondContact O-CA 3.16Å; E551-K555 WeakPolarHBondContact O-CD 3.35Å; E551-K555 PolarHBondContact O-N 3.31Å; K552-K555 PolarHBondContact O-NZ 2.86Å
556	V	90.1	Very high	95.7	Very high	42 Å²	42	52.8 Å²	52.8	26%	0.255	26%	0.255	S	S	.	.			trans	-105.9	115.8	178.5	-177.6	0	0	0	0	109.8	L550 E551 Y554 I558 I644	L550-V556 CarbonylContact C-O 3.6Å; L550-V556 PolarHBondContact O-N 3.29Å; E551-V556 PolarHBondContact N-O 3.38Å; Y554-V556 WeakPolarHBondContact O-CG2 3.46Å; Y554-V556 PolarHBondContact O-N 3.5Å; V556-I558 HydrophobicContact CG1-CG2 4.15Å; V556-I644 HydrophobicContact CG1-CD1 3.57Å; V556-I644 HydrophobicContact CG1-CG1 4.15Å
557	K	93.4	Very high	95.8	Very high	151 Å²	151	52.6 Å²	52.6	66%	0.657	25%	0.254	S	S	*	.			trans	-88	129.9	173.4	-171.1	171	-175.8	168.4	0	110.9
558	I	95.6	Very high	95.8	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.087	25%	0.252	C	S	.	.			trans	-124.5	162.8	177.3	62.1	170.3	0	0	0	112	S547 L550 V556 P560 F564 T603 K642 I644	S547-I558 WeakPolarHBondContact OG-CD1 3.25Å; S547-I558 WeakPolarHBondContact OG-CG1 3.43Å; L550-I558 HydrophobicContact CD1-CD1 3.81Å; L550-I558 HydrophobicContact CD1-CG1 4.49Å; L550-I558 HydrophobicContact CD1-CG2 4.4Å; V556-I558 HydrophobicContact CG1-CG2 4.15Å; I558-P560 VanDerWaalsContact O-CD 3.27Å; I558-P560 WeakPolarHBondContact O-CD 3.43Å; I558-F564 HydrophobicContact CD1-CE1 3.8Å; I558-F564 HydrophobicContact CD1-CE2 3.95Å; I558-F564 HydrophobicContact CD1-CZ 3.3Å; I558-F564 HydrophobicContact CG1-CZ 4.27Å; I558-T603 HydrophobicContact CB-CG2 4.23Å; I558-T603 HydrophobicContact CD1-CG2 4.24Å; I558-T603 HydrophobicContact CG2-CG2 3.96Å; I558-K642 HydrophobicContact CG2-CG 4.44Å; I558-I644 HydrophobicContact CG2-CD1 3.22Å
559	N	96.4	Very high	95.7	Very high	49 Å²	49	48.3 Å²	48.3	26%	0.262	23%	0.233	S	C	.	.			trans	-88.9	106.4	176	176.3	7.9	0	0	0	109.9	S561 S562	N559-S561 PolarHBondContact O-N 3.21Å; N559-S561 VanDerWaalsContact O-N 3.12Å; N559-S561 WeakPolarHBondContact OD1-CB 3.22Å; N559-S561 PolarHBondContact OD1-N 2.82Å; N559-S562 WeakPolarHBondContact O-CB 3.45Å; N559-S562 PolarHBondContact O-N 2.8Å; N559-S562 PolarHBondContact O-OG 3.33Å
560	P	97.1	Very high	95.6	Very high	33 Å²	33	51.5 Å²	51.5	21%	0.214	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-10.7	-179.3	29.5	-36.4	0	0	0	113.6	Q540 K543 L544 I558	Q540-P560 PolarHBondContact NE2-O 3.35Å; Q540-P560 VanDerWaalsContact NE2-O 3.1Å; K543-P560 WeakPolarHBondContact CE-O 3.28Å; K543-P560 PolarHBondContact NZ-O 3.01Å; L544-P560 HydrophobicContact CD1-CG 4.46Å; I558-P560 VanDerWaalsContact O-CD 3.27Å; I558-P560 WeakPolarHBondContact O-CD 3.43Å
561	S	97	Very high	95.7	Very high	82 Å²	82	51.4 Å²	51.4	57%	0.573	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.7	174.2	-52.6	0	0	0	0	113	N559	N559-S561 PolarHBondContact O-N 3.21Å; N559-S561 VanDerWaalsContact O-N 3.12Å; N559-S561 WeakPolarHBondContact OD1-CB 3.22Å; N559-S561 PolarHBondContact OD1-N 2.82Å
562	S	98.3	Very high	95.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	23%	0.23	C	C	.	.	S	Bend	trans	-70.3	158.1	172.8	68.7	0	0	0	0	111.1	K543 N559 F564 P601 T603	K543-S562 WeakPolarHBondContact CE-O 3.24Å; K543-S562 PolarHBondContact NZ-O 2.78Å; N559-S562 WeakPolarHBondContact O-CB 3.45Å; N559-S562 PolarHBondContact O-N 2.8Å; N559-S562 PolarHBondContact O-OG 3.33Å; S562-F564 PolarHBondContact O-N 2.95Å; S562-P601 CarbonylContact C-O 3.59Å; S562-P601 WeakPolarHBondContact CA-O 3.35Å; S562-P601 VanDerWaalsContact CB-O 3.3Å; S562-P601 WeakPolarHBondContact CB-O 3.32Å; S562-T603 PolarHBondContact OG-OG1 2.97Å
563	M	98.8	Very high	95.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.4	168.2	178.2	-169.7	-70	0	0	109.4	D565 V600 P601 R602 T603 D662 L663 V788 Y792 W798	M563-D565 PolarHBondContact O-N 3.12Å; M563-V600 HydrophobicContact CE-CG1 4.37Å; M563-P601 PolarHBondContact N-O 3.39Å; M563-R602 HydrophobicContact CB-CG 4.34Å; M563-T603 PolarHBondContact O-N 3.47Å; M563-D662 WeakPolarHBondContact CA-OD2 3.48Å; M563-D662 HydrophobicContact CG-CB 4Å; M563-L663 HydrophobicContact SD-CB 4.22Å; M563-L663 HydrophobicContact SD-CD2 4.29Å; M563-V788 HydrophobicContact CE-CG1 3.76Å; M563-V788 HydrophobicContact SD-CG1 3.95Å; M563-Y792 HydrophobicContact CB-CD1 4.33Å; M563-Y792 HydrophobicContact CB-CD2 4.38Å; M563-Y792 HydrophobicContact CB-CE1 3.96Å; M563-Y792 HydrophobicContact CB-CE2 4.03Å; M563-Y792 HydrophobicContact CE-CD1 3.86Å; M563-Y792 HydrophobicContact CE-CD2 3.38Å; M563-Y792 HydrophobicContact CE-CE2 4.14Å; M563-Y792 HydrophobicContact CE-CG 3.21Å; M563-Y792 HydrophobicContact CG-CD2 4.28Å; M563-Y792 HydrophobicContact CG-CE2 4.12Å; M563-W798 HydrophobicContact CE-CH2 4.14Å; M563-W798 HydrophobicContact CE-CZ3 4.18Å
564	F	98.9	Very high	96.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	104.4	172.2	-76.5	13.5	0	0	0	109.3	K543 F546 S547 I558 S562 V566 I605 A660 D662 L663	K543-F564 HydrophobicContact CB-CD2 4.4Å; K543-F564 HydrophobicContact CB-CE2 3.88Å; K543-F564 HydrophobicContact CB-CZ 4.18Å; K543-F564 HydrophobicContact CG-CD2 3.84Å; K543-F564 HydrophobicContact CG-CE2 3.85Å; K543-F564 HydrophobicContact CG-CG 4.39Å; K543-F564 HydrophobicContact CG-CZ 4.4Å; F546-F564 HydrophobicContact CD1-CD2 4.36Å; F546-F564 AromaticContact CD1-CE2 3.95Å; F546-F564 HydrophobicContact CD1-CE2 3.95Å; S547-F564 WeakPolarHBondContact OG-CZ 3.41Å; I558-F564 HydrophobicContact CD1-CE1 3.8Å; I558-F564 HydrophobicContact CD1-CE2 3.95Å; I558-F564 HydrophobicContact CD1-CZ 3.3Å; I558-F564 HydrophobicContact CG1-CZ 4.27Å; S562-F564 PolarHBondContact O-N 2.95Å; F564-V566 HydrophobicContact CB-CG2 4.41Å; F564-I605 HydrophobicContact CD2-CD1 4.47Å; F564-I605 HydrophobicContact CG-CD1 4.49Å; F564-A660 HydrophobicContact CD2-CB 4.2Å; F564-A660 WeakPolarHBondContact CD2-O 3.45Å; F564-A660 HydrophobicContact CE2-CB 4.41Å; F564-D662 PolarHBondContact N-OD2 3.16Å; F564-D662 PolarHBondContact O-N 3.13Å; F564-L663 PolarHBondContact O-N 2.73Å
565	D	98.9	Very high	96.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.1	-178	179.9	-18.9	0	0	0	108.3	M563 R602 T603 V604 I605 E665	M563-D565 PolarHBondContact O-N 3.12Å; D565-R602 IonicContact OD2-CZ 3.33Å; D565-R602 IonicContact OD2-NH1 2.78Å; D565-R602 PolarHBondContact OD2-NH1 3.26Å; D565-T603 PolarHBondContact N-O 3.25Å; D565-V604 HydrophobicContact CB-CG2 4.21Å; D565-V604 CarbonylContact O-C 3.46Å; D565-V604 WeakPolarHBondContact O-CA 3.48Å; D565-I605 PolarHBondContact O-N 3.02Å; D565-E665 WeakPolarHBondContact OD1-CG 3.39Å
566	V	98.9	Very high	96.7	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.9	-162.1	-174.7	0	0	0	0	112.8	F564 V568 I605 V657 T661 L663 E665 F682	F564-V566 HydrophobicContact CB-CG2 4.41Å; V566-V568 HydrophobicContact CG1-CB 4.43Å; V566-V568 HydrophobicContact CG1-CG1 3.74Å; V566-V568 HydrophobicContact CG1-CG2 4Å; V566-I605 CarbonylContact C-O 3.29Å; V566-I605 WeakPolarHBondContact CA-O 3.47Å; V566-I605 HydrophobicContact CG1-CB 4.45Å; V566-I605 HydrophobicContact CG2-CB 4.11Å; V566-I605 HydrophobicContact CG2-CD1 3.95Å; V566-V657 HydrophobicContact CG1-CG2 3.83Å; V566-V657 HydrophobicContact CG2-CG2 4.3Å; V566-T661 HydrophobicContact CB-CG2 3.77Å; V566-T661 WeakPolarHBondContact CB-OG1 3.07Å; V566-T661 HydrophobicContact CG2-CG2 3.76Å; V566-T661 WeakPolarHBondContact CG2-OG1 3.46Å; V566-L663 PolarHBondContact N-O 3.42Å; V566-E665 PolarHBondContact O-N 2.93Å; V566-F682 HydrophobicContact CG1-CZ 4.18Å
567	Q	98.9	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	90.5	171	-163.7	179.9	15.6	0	0	110.9	K575 N580 I605 I606 G607 E665	Q567-K575 PolarHBondContact NE2-O 3.13Å; Q567-K575 VanDerWaalsContact NE2-O 3.11Å; Q567-N580 PolarHBondContact OE1-ND2 3.47Å; Q567-I605 PolarHBondContact N-O 3.12Å; Q567-I606 HydrophobicContact CB-CG1 4.43Å; Q567-I606 WeakPolarHBondContact O-CA 3.41Å; Q567-G607 PolarHBondContact O-N 2.87Å; Q567-E665 HydrophobicContact CB-CB 3.6Å; Q567-E665 HydrophobicContact CB-CG 4.07Å; Q567-E665 HydrophobicContact CG-CB 3.68Å
568	V	98.2	Very high	97.3	Very high	6 Å²	6	21 Å²	21	4%	0.036	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	109	179.6	-66.4	0	0	0	0	112.9	V566 G607 L646 Y649 V657 F682	V566-V568 HydrophobicContact CG1-CB 4.43Å; V566-V568 HydrophobicContact CG1-CG1 3.74Å; V566-V568 HydrophobicContact CG1-CG2 4Å; V568-G607 CarbonylContact C-O 3.47Å; V568-G607 VanDerWaalsContact CA-O 3.27Å; V568-G607 WeakPolarHBondContact CA-O 3.36Å; V568-L646 HydrophobicContact CG1-CD2 4.14Å; V568-Y649 HydrophobicContact CB-CD1 4.41Å; V568-Y649 HydrophobicContact CB-CD2 3.88Å; V568-Y649 HydrophobicContact CB-CE1 4.13Å; V568-Y649 HydrophobicContact CB-CE2 3.59Å; V568-Y649 HydrophobicContact CB-CG 4.28Å; V568-Y649 HydrophobicContact CG1-CD2 4.21Å; V568-Y649 HydrophobicContact CG1-CE2 4.25Å; V568-Y649 HydrophobicContact CG2-CD2 4.43Å; V568-Y649 HydrophobicContact CG2-CE2 3.68Å; V568-V657 HydrophobicContact CG2-CG1 4.16Å; V568-F682 HydrophobicContact CG2-CE2 4.16Å; V568-F682 HydrophobicContact CG2-CZ 3.73Å
569	K	95.7	Very high	97.5	Very high	24 Å²	24	20.1 Å²	20.1	10%	0.104	10%	0.102	C	C	.	.	S	Bend	trans	-169.7	166.5	-177.9	54.2	-170.1	66.6	179.3	0	109.4	I571 K575 G607 G608 E665	K569-I571 PolarHBondContact O-N 2.8Å; K569-K575 HydrophobicContact CB-CD 4.35Å; K569-K575 HydrophobicContact CD-CB 3.96Å; K569-K575 HydrophobicContact CD-CD 3.83Å; K569-K575 HydrophobicContact CD-CG 4.1Å; K569-K575 HydrophobicContact CG-CD 3.98Å; K569-G607 PolarHBondContact N-O 3.46Å; K569-G608 WeakPolarHBondContact O-CA 3.36Å; K569-E665 PolarHBondContact NZ-O 3.13Å
570	R	93.9	Very high	97.6	Very high	103 Å²	103	17.8 Å²	17.8	39%	0.389	9%	0.089	S	C	.	.			trans	-48.8	139.1	172.3	-171.3	-170.6	-69.1	-173.7	3.6	109.9	H572 K575 Q577 K609	R570-H572 PolarHBondContact O-N 2.81Å; R570-K575 WeakPolarHBondContact O-CD 3.44Å; R570-Q577 PolarHBondContact O-NE2 3.13Å; R570-K609 WeakPolarHBondContact CG-O 3.15Å
571	I	96.6	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.			trans	-76.5	123	176.5	-51.6	-57.2	0	0	0	108.7	K569 Q577 K609 A610 A617 I620 I621	K569-I571 PolarHBondContact O-N 2.8Å; I571-Q577 HydrophobicContact CD1-CG 4.03Å; I571-K609 PolarHBondContact N-O 2.96Å; I571-A610 HydrophobicContact CB-CB 4.37Å; I571-A617 HydrophobicContact CB-CB 4.28Å; I571-A617 HydrophobicContact CG2-CB 3.94Å; I571-A617 WeakPolarHBondContact CG2-O 3.08Å; I571-I620 HydrophobicContact CG2-CB 4.08Å; I571-I620 HydrophobicContact CG2-CG2 3.95Å; I571-I621 HydrophobicContact CG1-CD1 3.98Å; I571-I621 HydrophobicContact CG1-CG1 3.86Å; I571-I621 HydrophobicContact CG2-CG1 4.37Å
572	H	95.4	Very high	97.8	Very high	36 Å²	36	12.6 Å²	12.6	17%	0.167	5%	0.054	C	C	.	.			trans	-159.2	142.8	-179.3	-160.5	-48.2	0	0	0	109.7	R570 Y574 K575 Q577 Y614	R570-H572 PolarHBondContact O-N 2.81Å; H572-Y574 VanDerWaalsContact C-N 3.35Å; H572-Y574 HydrophobicContact CB-CD1 4.11Å; H572-Y574 HydrophobicContact CB-CE1 4.12Å; H572-Y574 AromaticContact CD2-CD1 3.75Å; H572-Y574 AromaticContact CD2-CE1 3.54Å; H572-Y574 AromaticContact CE1-CD1 3.52Å; H572-Y574 AromaticContact CG-CD1 3.44Å; H572-Y574 VanDerWaalsContact CG-CD1 3.44Å; H572-Y574 AromaticContact CG-CE1 3.58Å; H572-Y574 AromaticContact ND1-CD1 3.29Å; H572-Y574 VanDerWaalsContact ND1-CD1 3.29Å; H572-Y574 WeakPolarHBondContact ND1-CD1 3.44Å; H572-Y574 AromaticContact ND1-CE1 3.91Å; H572-Y574 AromaticContact NE2-CD1 3.79Å; H572-Y574 AromaticContact NE2-CE1 3.84Å; H572-Y574 PolarHBondContact O-N 3.11Å; H572-K575 HydrophobicContact CB-CB 4.5Å; H572-K575 HydrophobicContact CB-CD 4.17Å; H572-K575 HydrophobicContact CB-CG 4.29Å; H572-K575 WeakPolarHBondContact O-CB 3.19Å; H572-K575 PolarHBondContact O-N 3.33Å; H572-Q577 PolarHBondContact O-OE1 3.14Å; H572-Y614 AromaticContact CD2-CE2 3.95Å; H572-Y614 AromaticContact CE1-CE2 3.93Å; H572-Y614 PolarHBondContact CE1-OH 3.37Å; H572-Y614 AromaticContact CG-CE2 3.94Å; H572-Y614 AromaticContact ND1-CE2 3.93Å; H572-Y614 PolarHBondContact ND1-OH 2.75Å; H572-Y614 AromaticContact NE2-CE2 3.96Å
573	E	96.9	Very high	97.8	Very high	33 Å²	33	12.8 Å²	12.8	15%	0.154	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-52.2	-45.4	179.3	-67.3	169.5	76.2	0	0	113.5	K575 R576 Y614 M616 I620 M765 F772	E573-K575 PolarHBondContact O-N 3.46Å; E573-R576 WeakPolarHBondContact O-CA 3.49Å; E573-R576 WeakPolarHBondContact O-CG 3.36Å; E573-R576 PolarHBondContact O-N 3.08Å; E573-Y614 VanDerWaalsContact CD-OH 3.27Å; E573-Y614 VanDerWaalsContact CG-OH 3.31Å; E573-Y614 WeakPolarHBondContact CG-OH 3.38Å; E573-Y614 VanDerWaalsContact OE2-CE1 3.26Å; E573-Y614 WeakPolarHBondContact OE2-CE1 3.41Å; E573-Y614 VanDerWaalsContact OE2-CZ 3.26Å; E573-Y614 PolarHBondContact OE2-OH 3.2Å; E573-M616 HydrophobicContact CG-CB 4.42Å; E573-M616 HydrophobicContact CG-CG 3.7Å; E573-I620 HydrophobicContact CG-CD1 4.32Å; E573-M765 HydrophobicContact CG-CE 4.48Å; E573-F772 HydrophobicContact CB-CD2 3.48Å; E573-F772 VanDerWaalsContact CB-CD2 3.48Å; E573-F772 HydrophobicContact CB-CE2 3.47Å; E573-F772 VanDerWaalsContact CB-CE2 3.47Å
574	Y	95.8	Very high	97.8	Very high	34 Å²	34	12.9 Å²	12.9	13%	0.133	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-65.1	-21.8	179	83.8	-103.9	0	0	0	114.7	L381 H572 S668 T669 T672 E673 F772	L381-Y574 HydrophobicContact CD1-CD1 3.93Å; L381-Y574 HydrophobicContact CD1-CE1 4.18Å; H572-Y574 VanDerWaalsContact C-N 3.35Å; H572-Y574 HydrophobicContact CB-CD1 4.11Å; H572-Y574 HydrophobicContact CB-CE1 4.12Å; H572-Y574 AromaticContact CD2-CD1 3.75Å; H572-Y574 AromaticContact CD2-CE1 3.54Å; H572-Y574 AromaticContact CE1-CD1 3.52Å; H572-Y574 AromaticContact CG-CD1 3.44Å; H572-Y574 VanDerWaalsContact CG-CD1 3.44Å; H572-Y574 AromaticContact CG-CE1 3.58Å; H572-Y574 AromaticContact ND1-CD1 3.29Å; H572-Y574 VanDerWaalsContact ND1-CD1 3.29Å; H572-Y574 WeakPolarHBondContact ND1-CD1 3.44Å; H572-Y574 AromaticContact ND1-CE1 3.91Å; H572-Y574 AromaticContact NE2-CD1 3.79Å; H572-Y574 AromaticContact NE2-CE1 3.84Å; H572-Y574 PolarHBondContact O-N 3.11Å; Y574-S668 VanDerWaalsContact O-CA 3.24Å; Y574-S668 WeakPolarHBondContact O-CA 3.44Å; Y574-S668 WeakPolarHBondContact O-CB 3.23Å; Y574-T669 PolarHBondContact O-N 3.35Å; Y574-T672 WeakPolarHBondContact CD2-OG1 3.4Å; Y574-E673 HydrophobicContact CE2-CB 4.49Å; Y574-E673 WeakPolarHBondContact CE2-OE2 3.35Å; Y574-F772 VanDerWaalsContact CB-CD1 3.46Å
575	K	96.8	Very high	97.8	Very high	17 Å²	17	12.9 Å²	12.9	7%	0.074	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-82.7	-6.5	176.6	-68.5	177.1	-175.3	-58.3	0	112.3	Q567 K569 R570 H572 E573 Q577 E673	Q567-K575 PolarHBondContact NE2-O 3.13Å; Q567-K575 VanDerWaalsContact NE2-O 3.11Å; K569-K575 HydrophobicContact CB-CD 4.35Å; K569-K575 HydrophobicContact CD-CB 3.96Å; K569-K575 HydrophobicContact CD-CD 3.83Å; K569-K575 HydrophobicContact CD-CG 4.1Å; K569-K575 HydrophobicContact CG-CD 3.98Å; R570-K575 WeakPolarHBondContact O-CD 3.44Å; H572-K575 HydrophobicContact CB-CB 4.5Å; H572-K575 HydrophobicContact CB-CD 4.17Å; H572-K575 HydrophobicContact CB-CG 4.29Å; H572-K575 WeakPolarHBondContact O-CB 3.19Å; H572-K575 PolarHBondContact O-N 3.33Å; E573-K575 PolarHBondContact O-N 3.46Å; K575-Q577 PolarHBondContact O-N 3.45Å; K575-E673 IonicContact NZ-OE1 2.8Å; K575-E673 PolarHBondContact NZ-OE1 3.49Å; K575-E673 IonicContact NZ-OE2 3.6Å; K575-E673 PolarHBondContact NZ-OE2 3.25Å
576	R	98.6	Very high	97.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.5	169.6	-58.6	-165.7	-64.6	-177.5	0.9	114.7	E573 L578 L579 N580 I667 S668 T669 V774 D777	E573-R576 WeakPolarHBondContact O-CA 3.49Å; E573-R576 WeakPolarHBondContact O-CG 3.36Å; E573-R576 PolarHBondContact O-N 3.08Å; R576-L578 PolarHBondContact O-N 2.76Å; R576-L579 HydrophobicContact CB-CB 3.82Å; R576-L579 WeakPolarHBondContact O-CB 3.04Å; R576-L579 PolarHBondContact O-N 2.85Å; R576-N580 PolarHBondContact O-N 2.94Å; R576-I667 HydrophobicContact CB-CG1 4.44Å; R576-I667 PolarHBondContact NE-O 3Å; R576-I667 PolarHBondContact NH2-O 2.75Å; R576-I667 WeakPolarHBondContact O-CD1 3.47Å; R576-S668 PolarHBondContact NH2-O 2.85Å; R576-S668 VanDerWaalsContact NH2-O 3.12Å; R576-T669 WeakPolarHBondContact CD-OG1 3.34Å; R576-V774 HydrophobicContact CG-CG2 4.49Å; R576-D777 IonicContact CZ-OD2 3.27Å; R576-D777 IonicContact NH1-OD2 2.91Å; R576-D777 PolarHBondContact NH1-OD2 2.5Å; R576-D777 IonicContact NH2-OD2 2.59Å; R576-D777 PolarHBondContact NH2-OD2 2.69Å
577	Q	98.8	Very high	97.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-56.2	-27.5	164.4	-68.2	84.3	-3.9	0	0	111.7	R570 I571 H572 K575 N580 C581 I606 I620 I624	R570-Q577 PolarHBondContact O-NE2 3.13Å; I571-Q577 HydrophobicContact CD1-CG 4.03Å; H572-Q577 PolarHBondContact O-OE1 3.14Å; K575-Q577 PolarHBondContact O-N 3.45Å; Q577-N580 PolarHBondContact O-N 3.16Å; Q577-C581 WeakPolarHBondContact O-CB 3.11Å; Q577-C581 PolarHBondContact O-N 3.16Å; Q577-I606 HydrophobicContact CG-CG2 4.13Å; Q577-I620 HydrophobicContact CB-CG2 3.95Å; Q577-I624 HydrophobicContact CB-CD1 4.3Å
578	L	98.7	Very high	97.8	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-59.6	-47.3	170	-76.4	173.6	0	0	0	112.4	R576 N580 C581 L582 I620 L623 I762 M765 L766	R576-L578 PolarHBondContact O-N 2.76Å; L578-N580 VanDerWaalsContact C-N 3.27Å; L578-N580 PolarHBondContact O-N 3.09Å; L578-C581 CarbonylContact O-C 3.58Å; L578-C581 WeakPolarHBondContact O-CA 3.44Å; L578-C581 WeakPolarHBondContact O-CB 3.2Å; L578-C581 PolarHBondContact O-N 3.35Å; L578-L582 WeakPolarHBondContact O-CG 3.42Å; L578-L582 PolarHBondContact O-N 3.28Å; L578-I620 HydrophobicContact CD1-CD1 3.84Å; L578-I620 HydrophobicContact CD1-CG1 3.93Å; L578-I620 HydrophobicContact CD2-CG1 3.83Å; L578-I620 HydrophobicContact CD2-CG2 4.44Å; L578-I620 HydrophobicContact CG-CD1 3.83Å; L578-I620 HydrophobicContact CG-CG1 3.69Å; L578-I620 HydrophobicContact CG-CG2 4.41Å; L578-L623 HydrophobicContact CD2-CD2 3.72Å; L578-I762 HydrophobicContact CD1-CG2 4.24Å; L578-I762 HydrophobicContact CD2-CG2 3.91Å; L578-M765 HydrophobicContact CD1-CE 3.5Å; L578-L766 HydrophobicContact CD1-CD2 4.49Å
579	L	98.9	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.1	-41.7	178.2	178.8	58.7	0	0	0	111.5	R576 L582 H583 I667 F712 V774 D777 Y778 Y781	R576-L579 HydrophobicContact CB-CB 3.82Å; R576-L579 WeakPolarHBondContact O-CB 3.04Å; R576-L579 PolarHBondContact O-N 2.85Å; L579-L582 PolarHBondContact O-N 3.27Å; L579-H583 PolarHBondContact O-N 3.22Å; L579-I667 HydrophobicContact CB-CD1 4.24Å; L579-I667 HydrophobicContact CD2-CD1 4.38Å; L579-I667 HydrophobicContact CG-CD1 4.41Å; L579-F712 HydrophobicContact CD2-CE2 4.21Å; L579-F712 HydrophobicContact CD2-CZ 4.33Å; L579-V774 HydrophobicContact CB-CG1 4.14Å; L579-V774 HydrophobicContact CD1-CG1 4.32Å; L579-D777 HydrophobicContact CD2-CB 4.42Å; L579-Y778 HydrophobicContact CD1-CD2 4.49Å; L579-Y781 HydrophobicContact CD1-CD1 3.75Å; L579-Y781 HydrophobicContact CD1-CE1 4.47Å; L579-Y781 HydrophobicContact CD1-CG 4.33Å; L579-Y781 HydrophobicContact CD2-CD1 4.19Å; L579-Y781 HydrophobicContact CD2-CG 4.2Å; L579-Y781 HydrophobicContact CG-CD1 3.61Å; L579-Y781 HydrophobicContact CG-CE1 3.98Å; L579-Y781 HydrophobicContact CG-CG 4.13Å
580	N	98.9	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.4	-44.3	173.8	-165.9	7.3	0	0	0	111.9	Q567 R576 Q577 L578 L582 H583 V584 I667 Y781	Q567-N580 PolarHBondContact OE1-ND2 3.47Å; R576-N580 PolarHBondContact O-N 2.94Å; Q577-N580 PolarHBondContact O-N 3.16Å; L578-N580 VanDerWaalsContact C-N 3.27Å; L578-N580 PolarHBondContact O-N 3.09Å; N580-L582 VanDerWaalsContact C-N 3.31Å; N580-L582 PolarHBondContact O-N 3.49Å; N580-H583 WeakPolarHBondContact O-CB 3.39Å; N580-H583 PolarHBondContact O-N 2.6Å; N580-H583 VanDerWaalsContact O-N 3.16Å; N580-V584 WeakPolarHBondContact O-CG2 3.15Å; N580-V584 PolarHBondContact O-N 2.96Å; N580-I667 HydrophobicContact CB-CD1 3.96Å; N580-Y781 PolarHBondContact OD1-OH 3.49Å
581	C	98.9	Very high	98.1	Very high	4 Å²	4	12 Å²	12	3%	0.027	5%	0.053	C	C	.	.	H	α-helix	trans	-59.4	-39.3	176	-164.9	0	0	0	0	112.5	Q577 L578 V584 I585 I624	Q577-C581 WeakPolarHBondContact O-CB 3.11Å; Q577-C581 PolarHBondContact O-N 3.16Å; L578-C581 CarbonylContact O-C 3.58Å; L578-C581 WeakPolarHBondContact O-CA 3.44Å; L578-C581 WeakPolarHBondContact O-CB 3.2Å; L578-C581 PolarHBondContact O-N 3.35Å; C581-V584 WeakPolarHBondContact O-CB 3.45Å; C581-V584 PolarHBondContact O-N 3.28Å; C581-I585 WeakPolarHBondContact O-CG1 3.39Å; C581-I585 PolarHBondContact O-N 3.43Å; C581-I585 VanDerWaalsContact O-N 3.12Å; C581-I624 HydrophobicContact CB-CG1 4.47Å
582	L	98.9	Very high	98.2	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-62.1	-44.8	175.4	-58.4	-174	0	0	0	111	L578 L579 N580 V584 I585 T586 L739 V742 I743 I746 V774 F775 Y778	L578-L582 WeakPolarHBondContact O-CG 3.42Å; L578-L582 PolarHBondContact O-N 3.28Å; L579-L582 PolarHBondContact O-N 3.27Å; N580-L582 VanDerWaalsContact C-N 3.31Å; N580-L582 PolarHBondContact O-N 3.49Å; L582-V584 VanDerWaalsContact C-N 3.34Å; L582-V584 PolarHBondContact O-N 3.22Å; L582-I585 PolarHBondContact O-N 3.45Å; L582-T586 PolarHBondContact O-N 2.89Å; L582-T586 PolarHBondContact O-OG1 3.45Å; L582-L739 HydrophobicContact CD1-CD1 3.99Å; L582-V742 HydrophobicContact CB-CG1 4.18Å; L582-V742 HydrophobicContact CD2-CG1 3.58Å; L582-V742 HydrophobicContact CG-CG1 4.42Å; L582-I743 HydrophobicContact CD2-CD1 4.02Å; L582-I746 HydrophobicContact CD2-CD1 3.88Å; L582-V774 HydrophobicContact CD1-CG1 3.79Å; L582-F775 HydrophobicContact CD1-CD1 4.24Å; L582-F775 HydrophobicContact CD1-CE1 4.03Å; L582-Y778 HydrophobicContact CB-CD2 4.08Å; L582-Y778 HydrophobicContact CB-CE2 4.03Å; L582-Y778 HydrophobicContact CD1-CD2 4.29Å
583	H	98.9	Very high	98.2	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.028	10%	0.098	C	C	.	.	H	α-helix	trans	-60.5	-40.8	175.7	166.7	-114	0	0	0	112.8	L579 N580 I585 T586 M587 Y781 Q785	L579-H583 PolarHBondContact O-N 3.22Å; N580-H583 WeakPolarHBondContact O-CB 3.39Å; N580-H583 PolarHBondContact O-N 2.6Å; N580-H583 VanDerWaalsContact O-N 3.16Å; H583-I585 VanDerWaalsContact C-N 3.31Å; H583-I585 PolarHBondContact O-N 3.49Å; H583-T586 WeakPolarHBondContact O-CB 3.47Å; H583-T586 PolarHBondContact O-N 3.48Å; H583-T586 VanDerWaalsContact O-N 3.16Å; H583-M587 PolarHBondContact CE1-SD 3.47Å; H583-M587 WeakPolarHBondContact O-CG 3.28Å; H583-M587 PolarHBondContact O-N 2.86Å; H583-Y781 HydrophobicContact CB-CD1 3.95Å; H583-Y781 HydrophobicContact CB-CE1 3.37Å; H583-Y781 AromaticContact CG-CE1 3.92Å; H583-Q785 WeakPolarHBondContact NE2-CB 3.23Å
584	V	98.8	Very high	98.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-57.9	-44.7	174.7	169.1	0	0	0	0	111.1	N580 C581 L582 T586 M587 Y588 V604 V627 L641 V643	N580-V584 WeakPolarHBondContact O-CG2 3.15Å; N580-V584 PolarHBondContact O-N 2.96Å; C581-V584 WeakPolarHBondContact O-CB 3.45Å; C581-V584 PolarHBondContact O-N 3.28Å; L582-V584 VanDerWaalsContact C-N 3.34Å; L582-V584 PolarHBondContact O-N 3.22Å; V584-T586 VanDerWaalsContact C-N 3.34Å; V584-M587 PolarHBondContact O-N 3.18Å; V584-Y588 PolarHBondContact O-N 3.22Å; V584-V604 HydrophobicContact CG2-CB 4.21Å; V584-V604 HydrophobicContact CG2-CG1 3.81Å; V584-V604 HydrophobicContact CG2-CG2 4.14Å; V584-V627 HydrophobicContact CG1-CG1 3.89Å; V584-L641 HydrophobicContact CG1-CD2 4.49Å; V584-V643 HydrophobicContact CG1-CG1 4.41Å; V584-V643 HydrophobicContact CG1-CG2 3.4Å
585	I	98.9	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.6	-38.7	177.5	-60.7	163.9	0	0	0	110.5	C581 L582 H583 M587 Y588 N589 V627 V742 I746 F751	C581-I585 WeakPolarHBondContact O-CG1 3.39Å; C581-I585 PolarHBondContact O-N 3.43Å; C581-I585 VanDerWaalsContact O-N 3.12Å; L582-I585 PolarHBondContact O-N 3.45Å; H583-I585 VanDerWaalsContact C-N 3.31Å; H583-I585 PolarHBondContact O-N 3.49Å; I585-M587 PolarHBondContact O-N 2.94Å; I585-Y588 WeakPolarHBondContact O-CB 3.49Å; I585-Y588 PolarHBondContact O-N 3.16Å; I585-N589 WeakPolarHBondContact O-CB 3.42Å; I585-N589 VanDerWaalsContact O-CG 3.32Å; I585-N589 PolarHBondContact O-N 3.28Å; I585-N589 PolarHBondContact O-ND2 3.27Å; I585-V627 HydrophobicContact CD1-CG2 3.88Å; I585-V627 HydrophobicContact CG1-CG1 3.92Å; I585-V627 HydrophobicContact CG1-CG2 4.03Å; I585-V742 HydrophobicContact CB-CG1 3.88Å; I585-V742 HydrophobicContact CB-CG2 4.12Å; I585-V742 HydrophobicContact CD1-CG1 3.87Å; I585-V742 HydrophobicContact CG1-CG1 4.5Å; I585-V742 HydrophobicContact CG2-CB 4.15Å; I585-V742 HydrophobicContact CG2-CG1 3.87Å; I585-V742 HydrophobicContact CG2-CG2 3.81Å; I585-I746 HydrophobicContact CD1-CD1 3.79Å; I585-I746 HydrophobicContact CD1-CG1 4.01Å; I585-F751 HydrophobicContact CB-CZ 4.37Å; I585-F751 HydrophobicContact CD1-CD2 4.44Å; I585-F751 HydrophobicContact CD1-CE2 3.74Å; I585-F751 HydrophobicContact CD1-CZ 4.04Å; I585-F751 HydrophobicContact CG1-CE2 3.99Å; I585-F751 HydrophobicContact CG1-CZ 3.75Å; I585-F751 HydrophobicContact CG2-CE2 3.97Å; I585-F751 HydrophobicContact CG2-CZ 3.74Å
586	T	98.8	Very high	97.8	Very high	2 Å²	2	34 Å²	34	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-46.3	173.4	-52.1	0	0	0	0	111.6	L582 H583 V584 N589 R590 E738 Y778 V782	L582-T586 PolarHBondContact O-N 2.89Å; L582-T586 PolarHBondContact O-OG1 3.45Å; H583-T586 WeakPolarHBondContact O-CB 3.47Å; H583-T586 PolarHBondContact O-N 3.48Å; H583-T586 VanDerWaalsContact O-N 3.16Å; V584-T586 VanDerWaalsContact C-N 3.34Å; T586-N589 PolarHBondContact O-N 3.39Å; T586-R590 WeakPolarHBondContact O-CB 3.41Å; T586-R590 VanDerWaalsContact O-CG 3.3Å; T586-R590 WeakPolarHBondContact O-CG 3.49Å; T586-R590 PolarHBondContact O-N 3.41Å; T586-E738 HydrophobicContact CG2-CB 4.4Å; T586-Y778 WeakPolarHBondContact CG2-OH 3.45Å; T586-Y778 PolarHBondContact OG1-OH 2.93Å; T586-V782 HydrophobicContact CG2-CG1 4.36Å
587	M	98.4	Very high	97.6	Very high	18 Å²	18	39.7 Å²	39.7	9%	0.089	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-46.8	175.5	-71.9	-170.9	70.2	0	0	111.6	H583 V584 I585 N589 R590 I591 R602 L641	H583-M587 PolarHBondContact CE1-SD 3.47Å; H583-M587 WeakPolarHBondContact O-CG 3.28Å; H583-M587 PolarHBondContact O-N 2.86Å; V584-M587 PolarHBondContact O-N 3.18Å; I585-M587 PolarHBondContact O-N 2.94Å; M587-N589 PolarHBondContact O-N 3.37Å; M587-R590 PolarHBondContact O-N 2.89Å; M587-I591 VanDerWaalsContact O-CG1 3.28Å; M587-I591 WeakPolarHBondContact O-CG1 3.45Å; M587-I591 PolarHBondContact O-N 3.47Å; M587-R602 HydrophobicContact CE-CB 4.37Å; M587-R602 HydrophobicContact CE-CG 4.03Å; M587-L641 HydrophobicContact CB-CD2 3.96Å; M587-L641 HydrophobicContact CE-CD1 4.19Å; M587-L641 HydrophobicContact SD-CD1 4.28Å
588	Y	98.8	Very high	97.2	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-55.7	-50.3	176.2	171.2	-104.4	0	0	0	111.3	V584 I585 R590 I591 K592 V630 V631 D634 V637 F750	V584-Y588 PolarHBondContact O-N 3.22Å; I585-Y588 WeakPolarHBondContact O-CB 3.49Å; I585-Y588 PolarHBondContact O-N 3.16Å; Y588-R590 PolarHBondContact O-N 3.45Å; Y588-I591 PolarHBondContact O-N 3.29Å; Y588-K592 HydrophobicContact CD1-CG 4.41Å; Y588-K592 HydrophobicContact CD2-CG 4.25Å; Y588-K592 HydrophobicContact CE1-CG 4.07Å; Y588-K592 HydrophobicContact CE2-CD 3.94Å; Y588-K592 HydrophobicContact CE2-CG 3.88Å; Y588-K592 VanDerWaalsContact O-CG 3.3Å; Y588-K592 WeakPolarHBondContact O-CG 3.28Å; Y588-K592 PolarHBondContact O-N 2.93Å; Y588-V630 HydrophobicContact CE1-CG1 4.49Å; Y588-V631 HydrophobicContact CD2-CB 4.44Å; Y588-V631 HydrophobicContact CD2-CG2 3.81Å; Y588-V631 HydrophobicContact CE2-CG2 4.48Å; Y588-V631 HydrophobicContact CG-CG2 4Å; Y588-D634 HydrophobicContact CE2-CB 4.07Å; Y588-D634 PolarHBondContact OH-OD2 3.11Å; Y588-V637 HydrophobicContact CD2-CG2 3.57Å; Y588-V637 HydrophobicContact CE2-CG2 3.61Å; Y588-F750 AromaticContact CE1-CE1 3.8Å; Y588-F750 HydrophobicContact CE1-CE1 3.8Å; Y588-F750 AromaticContact CE1-CZ 3.96Å; Y588-F750 HydrophobicContact CE1-CZ 3.96Å
589	N	98.6	Very high	97.1	Very high	21 Å²	21	48 Å²	48	11%	0.112	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-41.8	179	-72.9	-26.9	0	0	0	112.6	I585 T586 M587 I591 K592 K593 L741 Q745	I585-N589 WeakPolarHBondContact O-CB 3.42Å; I585-N589 VanDerWaalsContact O-CG 3.32Å; I585-N589 PolarHBondContact O-N 3.28Å; I585-N589 PolarHBondContact O-ND2 3.27Å; T586-N589 PolarHBondContact O-N 3.39Å; M587-N589 PolarHBondContact O-N 3.37Å; N589-I591 VanDerWaalsContact C-N 3.34Å; N589-I591 PolarHBondContact O-N 3.38Å; N589-K592 PolarHBondContact O-N 2.5Å; N589-K593 WeakPolarHBondContact O-CB 3.3Å; N589-K593 PolarHBondContact O-N 2.97Å; N589-L741 HydrophobicContact CB-CD2 4.13Å; N589-Q745 PolarHBondContact ND2-OE1 3.21Å; N589-Q745 PolarHBondContact OD1-NE2 3.42Å; N589-Q745 PolarHBondContact OD1-OE1 3.45Å
590	R	98.3	Very high	97	Very high	66 Å²	66	48.8 Å²	48.8	25%	0.249	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-41.4	175.3	-74.1	174.9	175.4	-169.6	0.9	111.6	T586 M587 Y588 K593 D594 F599 E738 D786	T586-R590 WeakPolarHBondContact O-CB 3.41Å; T586-R590 VanDerWaalsContact O-CG 3.3Å; T586-R590 WeakPolarHBondContact O-CG 3.49Å; T586-R590 PolarHBondContact O-N 3.41Å; M587-R590 PolarHBondContact O-N 2.89Å; Y588-R590 PolarHBondContact O-N 3.45Å; R590-K593 PolarHBondContact O-N 3.1Å; R590-D594 PolarHBondContact O-N 2.91Å; R590-F599 HydrophobicContact CB-CE1 4.07Å; R590-F599 HydrophobicContact CB-CZ 4.22Å; R590-E738 WeakPolarHBondContact CG-OE1 3.47Å; R590-E738 IonicContact CZ-OE1 3.19Å; R590-E738 IonicContact CZ-OE2 3.86Å; R590-E738 IonicContact NE-OE1 3.62Å; R590-E738 PolarHBondContact NE-OE1 2.69Å; R590-E738 IonicContact NE-OE2 4Å; R590-E738 PolarHBondContact NE-OE2 2.98Å; R590-E738 IonicContact NH2-OE1 2.75Å; R590-E738 IonicContact NH2-OE2 4Å; R590-E738 PolarHBondContact NH2-OE2 3.34Å; R590-D786 IonicContact CZ-OD2 3.81Å; R590-D786 IonicContact NH1-OD1 3.76Å; R590-D786 PolarHBondContact NH1-OD1 3.41Å; R590-D786 VanDerWaalsContact NH1-OD1 3.11Å; R590-D786 IonicContact NH1-OD2 3.63Å; R590-D786 PolarHBondContact NH1-OD2 2.82Å; R590-D786 IonicContact NH2-OD2 3.64Å
591	I	97.9	Very high	97	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-43.4	176.1	-68.2	163.1	0	0	0	110.9	M587 Y588 N589 K593 D594 P595 F599 V637 K640 L641	M587-I591 VanDerWaalsContact O-CG1 3.28Å; M587-I591 WeakPolarHBondContact O-CG1 3.45Å; M587-I591 PolarHBondContact O-N 3.47Å; Y588-I591 PolarHBondContact O-N 3.29Å; N589-I591 VanDerWaalsContact C-N 3.34Å; N589-I591 PolarHBondContact O-N 3.38Å; I591-K593 VanDerWaalsContact C-N 3.32Å; I591-K593 PolarHBondContact O-N 3.31Å; I591-D594 CarbonylContact O-C 3.42Å; I591-D594 PolarHBondContact O-N 3.36Å; I591-P595 VanDerWaalsContact O-CA 3.22Å; I591-P595 WeakPolarHBondContact O-CA 3.13Å; I591-P595 WeakPolarHBondContact O-CG 3.46Å; I591-F599 HydrophobicContact CB-CE2 4.36Å; I591-F599 HydrophobicContact CG1-CD1 4.17Å; I591-F599 HydrophobicContact CG1-CD2 3.81Å; I591-F599 HydrophobicContact CG1-CE1 4.19Å; I591-F599 HydrophobicContact CG1-CE2 3.83Å; I591-F599 HydrophobicContact CG1-CG 3.98Å; I591-F599 HydrophobicContact CG1-CZ 4.03Å; I591-V637 HydrophobicContact CG2-CG2 4.35Å; I591-K640 HydrophobicContact CD1-CB 4.12Å; I591-K640 HydrophobicContact CG2-CD 4.2Å; I591-L641 HydrophobicContact CD1-CB 3.95Å; I591-L641 HydrophobicContact CD1-CD2 4.44Å
592	K	97.4	Very high	97	Very high	64 Å²	64	50.8 Å²	50.8	28%	0.278	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-36.9	178.3	-68.1	-69.2	-63.7	-167.3	0	112.4	Y588 N589 D634 M636	Y588-K592 HydrophobicContact CD1-CG 4.41Å; Y588-K592 HydrophobicContact CD2-CG 4.25Å; Y588-K592 HydrophobicContact CE1-CG 4.07Å; Y588-K592 HydrophobicContact CE2-CD 3.94Å; Y588-K592 HydrophobicContact CE2-CG 3.88Å; Y588-K592 VanDerWaalsContact O-CG 3.3Å; Y588-K592 WeakPolarHBondContact O-CG 3.28Å; Y588-K592 PolarHBondContact O-N 2.93Å; N589-K592 PolarHBondContact O-N 2.5Å; K592-D634 VanDerWaalsContact CD-OD2 3.31Å; K592-D634 WeakPolarHBondContact CD-OD2 3.43Å; K592-D634 WeakPolarHBondContact CE-OD2 3.28Å; K592-D634 IonicContact NZ-OD1 2.64Å; K592-D634 PolarHBondContact NZ-OD1 3.37Å; K592-D634 IonicContact NZ-OD2 3.37Å; K592-D634 PolarHBondContact NZ-OD2 3.15Å; K592-M636 HydrophobicContact CB-CE 4.46Å; K592-M636 HydrophobicContact CD-CB 4.3Å; K592-M636 HydrophobicContact CD-CE 3.72Å; K592-M636 HydrophobicContact CD-SD 4.43Å; K592-M636 VanDerWaalsContact CE-CE 3.43Å; K592-M636 PolarHBondContact NZ-SD 3.25Å
593	K	97.4	Very high	97	Very high	192 Å²	192	50.8 Å²	50.8	84%	0.835	24%	0.242	S	C	*	.	H	α-helix	trans	-67.8	-40.1	178.8	-177.7	174.7	-179.3	178.5	0	112.6	N589 R590 I591	N589-K593 WeakPolarHBondContact O-CB 3.3Å; N589-K593 PolarHBondContact O-N 2.97Å; R590-K593 PolarHBondContact O-N 3.1Å; I591-K593 VanDerWaalsContact C-N 3.32Å; I591-K593 PolarHBondContact O-N 3.31Å
594	D	95.8	Very high	97	Very high	74 Å²	74	50.5 Å²	50.5	40%	0.396	24%	0.24	S	C	.	.			trans	-135.7	83	174.4	-172.1	-7.9	0	0	0	111.6	R590 I591 K596 K597	R590-D594 PolarHBondContact O-N 2.91Å; I591-D594 CarbonylContact O-C 3.42Å; I591-D594 PolarHBondContact O-N 3.36Å; D594-K596 PolarHBondContact O-N 3.36Å; D594-K596 VanDerWaalsContact O-N 3.15Å; D594-K596 PolarHBondContact OD1-N 3.46Å; D594-K597 HydrophobicContact CB-CB 4.1Å; D594-K597 WeakPolarHBondContact O-CB 3.22Å; D594-K597 PolarHBondContact O-N 3.21Å; D594-K597 PolarHBondContact OD1-N 3.06Å; D594-K597 VanDerWaalsContact OD1-N 3.14Å; D594-K597 WeakPolarHBondContact OD2-CB 3.44Å
595	P	92.6	Very high	97	Very high	53 Å²	53	50.5 Å²	50.5	34%	0.344	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.3	-177.7	-21.1	32.8	0	0	0	113.7	I591 M636 K640	I591-P595 VanDerWaalsContact O-CA 3.22Å; I591-P595 WeakPolarHBondContact O-CA 3.13Å; I591-P595 WeakPolarHBondContact O-CG 3.46Å; P595-M636 HydrophobicContact CG-CE 3.6Å; P595-K640 PolarHBondContact O-NZ 3.38Å
596	K	92.1	Very high	96.9	Very high	200 Å²	200	50.5 Å²	50.5	87%	0.87	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-20.5	-180	-67.7	-176.6	-179.4	178.5	0	112.3	D594	D594-K596 PolarHBondContact O-N 3.36Å; D594-K596 VanDerWaalsContact O-N 3.15Å; D594-K596 PolarHBondContact OD1-N 3.46Å
597	K	93.4	Very high	96.9	Very high	118 Å²	118	50.4 Å²	50.4	51%	0.513	24%	0.24	S	C	.	.	S	Bend	trans	-59.3	144	174.6	-174.3	173.7	-179.9	-178	0	111.6	D594 F599 K640	D594-K597 HydrophobicContact CB-CB 4.1Å; D594-K597 WeakPolarHBondContact O-CB 3.22Å; D594-K597 PolarHBondContact O-N 3.21Å; D594-K597 PolarHBondContact OD1-N 3.06Å; D594-K597 VanDerWaalsContact OD1-N 3.14Å; D594-K597 WeakPolarHBondContact OD2-CB 3.44Å; K597-F599 HydrophobicContact CB-CD2 4.38Å; K597-F599 HydrophobicContact CB-CE2 3.73Å; K597-F599 HydrophobicContact CB-CZ 4.21Å; K597-F599 HydrophobicContact CD-CE1 4.49Å; K597-F599 HydrophobicContact CD-CE2 4.32Å; K597-F599 HydrophobicContact CD-CZ 3.98Å; K597-F599 HydrophobicContact CG-CE2 4.07Å; K597-F599 HydrophobicContact CG-CZ 4.23Å; K597-F599 VanDerWaalsContact O-CD2 3.26Å; K597-F599 WeakPolarHBondContact O-CD2 3.33Å; K597-K640 PolarHBondContact O-NZ 3.27Å
598	L	91.6	Very high	96.8	Very high	144 Å²	144	49.6 Å²	49.6	75%	0.754	24%	0.236	S	C	*	.			trans	-75.8	124.5	173.2	-169.4	72.6	0	0	0	109.3	M793	L598-M793 HydrophobicContact CD2-CE 4.32Å
599	F	95.3	Very high	96.6	Very high	36 Å²	36	50 Å²	50	16%	0.158	24%	0.237	C	C	.	.			trans	-122.3	145.4	172.4	-66.8	-90.5	0	0	0	108.4	R590 I591 K597 P601 K640	R590-F599 HydrophobicContact CB-CE1 4.07Å; R590-F599 HydrophobicContact CB-CZ 4.22Å; I591-F599 HydrophobicContact CB-CE2 4.36Å; I591-F599 HydrophobicContact CG1-CD1 4.17Å; I591-F599 HydrophobicContact CG1-CD2 3.81Å; I591-F599 HydrophobicContact CG1-CE1 4.19Å; I591-F599 HydrophobicContact CG1-CE2 3.83Å; I591-F599 HydrophobicContact CG1-CG 3.98Å; I591-F599 HydrophobicContact CG1-CZ 4.03Å; K597-F599 HydrophobicContact CB-CD2 4.38Å; K597-F599 HydrophobicContact CB-CE2 3.73Å; K597-F599 HydrophobicContact CB-CZ 4.21Å; K597-F599 HydrophobicContact CD-CE1 4.49Å; K597-F599 HydrophobicContact CD-CE2 4.32Å; K597-F599 HydrophobicContact CD-CZ 3.98Å; K597-F599 HydrophobicContact CG-CE2 4.07Å; K597-F599 HydrophobicContact CG-CZ 4.23Å; K597-F599 VanDerWaalsContact O-CD2 3.26Å; K597-F599 WeakPolarHBondContact O-CD2 3.33Å; F599-P601 VanDerWaalsContact O-CD 3.28Å; F599-P601 WeakPolarHBondContact O-CD 3.47Å; F599-K640 HydrophobicContact CD2-CD 4.25Å
600	V	97.7	Very high	96.4	Very high	15 Å²	15	49 Å²	49	9%	0.091	23%	0.232	C	C	.	.			trans	-64.2	121	168.5	177.7	0	0	0	0	107.9	M563 R602 S789 Y792 M793	M563-V600 HydrophobicContact CE-CG1 4.37Å; V600-R602 PolarHBondContact O-N 2.52Å; V600-S789 WeakPolarHBondContact CG2-O 3.5Å; V600-Y792 HydrophobicContact CG1-CD1 3.59Å; V600-Y792 HydrophobicContact CG1-CE1 4.17Å; V600-Y792 HydrophobicContact CG1-CG 4.4Å; V600-M793 HydrophobicContact CG2-CG 3.68Å; V600-M793 HydrophobicContact CG2-SD 3.71Å
601	P	98.2	Very high	95.9	Very high	44 Å²	44	47.8 Å²	47.8	29%	0.286	24%	0.237	S	C	.	.			trans	-62.5	132.3	177.8	-23.3	35.1	0	0	0	110.8	S562 M563 F599 K640	S562-P601 CarbonylContact C-O 3.59Å; S562-P601 WeakPolarHBondContact CA-O 3.35Å; S562-P601 VanDerWaalsContact CB-O 3.3Å; S562-P601 WeakPolarHBondContact CB-O 3.32Å; M563-P601 PolarHBondContact N-O 3.39Å; F599-P601 VanDerWaalsContact O-CD 3.28Å; F599-P601 WeakPolarHBondContact O-CD 3.47Å; P601-K640 CarbonylContact C-O 3.51Å; P601-K640 VanDerWaalsContact CA-O 3.26Å; P601-K640 WeakPolarHBondContact CA-O 3.47Å
602	R	98.6	Very high	95.4	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.2	177.4	-64.8	-160	-177	-163.5	1.8	112.7	M563 D565 M587 V600 V604 K640 L641 K642 Q785 S789	M563-R602 HydrophobicContact CB-CG 4.34Å; D565-R602 IonicContact OD2-CZ 3.33Å; D565-R602 IonicContact OD2-NH1 2.78Å; D565-R602 PolarHBondContact OD2-NH1 3.26Å; M587-R602 HydrophobicContact CE-CB 4.37Å; M587-R602 HydrophobicContact CE-CG 4.03Å; V600-R602 PolarHBondContact O-N 2.52Å; R602-V604 HydrophobicContact CB-CG2 4.37Å; R602-K640 PolarHBondContact N-O 2.78Å; R602-L641 HydrophobicContact CB-CD1 4.14Å; R602-L641 WeakPolarHBondContact O-CA 3.48Å; R602-K642 PolarHBondContact O-N 3.32Å; R602-Q785 PolarHBondContact NH2-O 2.81Å; R602-Q785 VanDerWaalsContact NH2-OE1 3.17Å; R602-S789 PolarHBondContact NH2-OG 2.91Å
603	T	98.8	Very high	94.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	104.3	161.9	-60	0	0	0	0	107.3	I558 S562 M563 D565 I605 K642 I644	I558-T603 HydrophobicContact CB-CG2 4.23Å; I558-T603 HydrophobicContact CD1-CG2 4.24Å; I558-T603 HydrophobicContact CG2-CG2 3.96Å; S562-T603 PolarHBondContact OG-OG1 2.97Å; M563-T603 PolarHBondContact O-N 3.47Å; D565-T603 PolarHBondContact N-O 3.25Å; T603-I605 HydrophobicContact CG2-CD1 4.19Å; T603-I605 HydrophobicContact CG2-CG1 3.95Å; T603-K642 CarbonylContact C-O 3.52Å; T603-K642 WeakPolarHBondContact CA-O 3.2Å; T603-K642 HydrophobicContact CG2-CB 4.33Å; T603-I644 HydrophobicContact CG2-CD1 4.09Å
604	V	98.9	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.3	178.7	-176	0	0	0	0	109	D565 V584 R602 I606 L641 K642 V643 I644	D565-V604 HydrophobicContact CB-CG2 4.21Å; D565-V604 CarbonylContact O-C 3.46Å; D565-V604 WeakPolarHBondContact O-CA 3.48Å; V584-V604 HydrophobicContact CG2-CB 4.21Å; V584-V604 HydrophobicContact CG2-CG1 3.81Å; V584-V604 HydrophobicContact CG2-CG2 4.14Å; R602-V604 HydrophobicContact CB-CG2 4.37Å; V604-I606 HydrophobicContact CG1-CG1 4.28Å; V604-L641 HydrophobicContact CG2-CD1 4.02Å; V604-K642 PolarHBondContact N-O 2.93Å; V604-V643 CarbonylContact O-C 3.47Å; V604-V643 WeakPolarHBondContact O-CA 3.44Å; V604-I644 PolarHBondContact O-N 2.83Å
605	I	98.8	Very high	94.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.2	-174.1	-56.8	159.9	0	0	0	108.3	F546 F564 D565 V566 Q567 T603 I644 L646	F546-I605 HydrophobicContact CE1-CD1 3.86Å; F564-I605 HydrophobicContact CD2-CD1 4.47Å; F564-I605 HydrophobicContact CG-CD1 4.49Å; D565-I605 PolarHBondContact O-N 3.02Å; V566-I605 CarbonylContact C-O 3.29Å; V566-I605 WeakPolarHBondContact CA-O 3.47Å; V566-I605 HydrophobicContact CG1-CB 4.45Å; V566-I605 HydrophobicContact CG2-CB 4.11Å; V566-I605 HydrophobicContact CG2-CD1 3.95Å; Q567-I605 PolarHBondContact N-O 3.12Å; T603-I605 HydrophobicContact CG2-CD1 4.19Å; T603-I605 HydrophobicContact CG2-CG1 3.95Å; I605-I644 WeakPolarHBondContact CA-O 3.5Å; I605-L646 HydrophobicContact CG2-CB 3.94Å; I605-L646 HydrophobicContact CG2-CD2 4.22Å
606	I	98.8	Very high	94.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134	176.2	-55	175	0	0	0	108.1	Q567 Q577 V604 I624 I644 F645 L646	Q567-I606 HydrophobicContact CB-CG1 4.43Å; Q567-I606 WeakPolarHBondContact O-CA 3.41Å; Q577-I606 HydrophobicContact CG-CG2 4.13Å; V604-I606 HydrophobicContact CG1-CG1 4.28Å; I606-I624 HydrophobicContact CB-CD1 4.45Å; I606-I624 HydrophobicContact CB-CG2 4.3Å; I606-I624 HydrophobicContact CD1-CD1 4.2Å; I606-I624 HydrophobicContact CD1-CG1 4.18Å; I606-I624 HydrophobicContact CD1-CG2 4.08Å; I606-I624 HydrophobicContact CG2-CD1 3.8Å; I606-I644 PolarHBondContact N-O 2.88Å; I606-F645 CarbonylContact O-C 3.58Å; I606-F645 VanDerWaalsContact O-CA 3.24Å; I606-F645 WeakPolarHBondContact O-CA 3.23Å; I606-L646 PolarHBondContact O-N 2.75Å
607	G	97.9	Very high	94.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.5	-179.3	0	0	0	0	0	112.9	Q567 V568 K569	Q567-G607 PolarHBondContact O-N 2.87Å; V568-G607 CarbonylContact C-O 3.47Å; V568-G607 VanDerWaalsContact CA-O 3.27Å; V568-G607 WeakPolarHBondContact CA-O 3.36Å; K569-G607 PolarHBondContact N-O 3.46Å
608	G	96.4	Very high	95	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.			trans	161.2	156.4	-176.8	0	0	0	0	0	112.9	Q169 K569 F645	Q169-G608 PolarHBondContact NE2-O 3.04Å; K569-G608 WeakPolarHBondContact O-CA 3.36Å; G608-F645 WeakPolarHBondContact O-CZ 3.46Å
609	K	95.1	Very high	95.3	Very high	17 Å²	17	23 Å²	23	7%	0.074	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-93.8	138.8	172.7	-60.6	-177.7	-177.7	-176.7	0	110	I166 F167 Q169 R570 I571 N648	I166-K609 HydrophobicContact CD1-CD 4.47Å; I166-K609 HydrophobicContact CG2-CD 4.29Å; F167-K609 HydrophobicContact CD2-CD 4.47Å; F167-K609 HydrophobicContact CE2-CB 4.22Å; F167-K609 HydrophobicContact CE2-CD 3.91Å; F167-K609 HydrophobicContact CE2-CG 4.21Å; F167-K609 HydrophobicContact CZ-CB 3.94Å; F167-K609 HydrophobicContact CZ-CD 4.12Å; F167-K609 HydrophobicContact CZ-CG 4.38Å; F167-K609 PolarHBondContact O-NZ 3.06Å; Q169-K609 HydrophobicContact CB-CG 4.21Å; R570-K609 WeakPolarHBondContact CG-O 3.15Å; I571-K609 PolarHBondContact N-O 2.96Å; K609-N648 WeakPolarHBondContact CE-OD1 3.28Å; K609-N648 PolarHBondContact NZ-OD1 3.33Å
610	A	93.4	Very high	95.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-89.6	144.6	164.2	0	0	0	0	0	109.3	F167 Q176 I571 A617 K618 I621	F167-A610 WeakPolarHBondContact CZ-O 3.47Å; Q176-A610 PolarHBondContact NE2-O 2.98Å; I571-A610 HydrophobicContact CB-CB 4.37Å; A610-A617 HydrophobicContact CB-CB 3.61Å; A610-K618 HydrophobicContact CB-CG 3.94Å; A610-I621 HydrophobicContact CB-CD1 3.68Å
611	A	88.7	Confident	95.5	Very high	41 Å²	41	20.7 Å²	20.7	34%	0.339	12%	0.12	S	C	.	.	P	Polyproline II helix	trans	-62.7	142.4	171.2	0	0	0	0	0	109.7	G613 Y614	A611-G613 PolarHBondContact O-N 3.16Å; A611-G613 VanDerWaalsContact O-N 3.16Å; A611-Y614 PolarHBondContact O-N 2.64Å
612	P	85.9	Confident	95.6	Very high	61 Å²	61	19.7 Å²	19.7	40%	0.396	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.8	-171.5	-26.5	35.2	0	0	0	113.8	F167 E178 K618	F167-P612 HydrophobicContact CD1-CG 4.07Å; F167-P612 HydrophobicContact CE1-CG 3.76Å; E178-P612 HydrophobicContact CG-CB 4.38Å; E178-P612 HydrophobicContact CG-CG 4.14Å; P612-K618 VanDerWaalsContact O-CE 3.28Å; P612-K618 WeakPolarHBondContact O-CE 3.07Å; P612-K618 PolarHBondContact O-NZ 3.34Å; P612-K618 VanDerWaalsContact O-NZ 3.13Å
613	G	84.9	Confident	95.6	Very high	38 Å²	38	19.6 Å²	19.6	39%	0.392	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.1	177.9	0	0	0	0	0	115.4	A611 H615	A611-G613 PolarHBondContact O-N 3.16Å; A611-G613 VanDerWaalsContact O-N 3.16Å; G613-H615 PolarHBondContact O-N 2.95Å
614	Y	89.8	Confident	95.6	Very high	55 Å²	55	19.6 Å²	19.6	22%	0.216	11%	0.111	C	C	.	.			trans	-94.9	89.7	-175.5	-167.4	1.1	0	0	0	111.3	H572 E573 A611 M616 A617 K618	H572-Y614 AromaticContact CD2-CE2 3.95Å; H572-Y614 AromaticContact CE1-CE2 3.93Å; H572-Y614 PolarHBondContact CE1-OH 3.37Å; H572-Y614 AromaticContact CG-CE2 3.94Å; H572-Y614 AromaticContact ND1-CE2 3.93Å; H572-Y614 PolarHBondContact ND1-OH 2.75Å; H572-Y614 AromaticContact NE2-CE2 3.96Å; E573-Y614 VanDerWaalsContact CD-OH 3.27Å; E573-Y614 VanDerWaalsContact CG-OH 3.31Å; E573-Y614 WeakPolarHBondContact CG-OH 3.38Å; E573-Y614 VanDerWaalsContact OE2-CE1 3.26Å; E573-Y614 WeakPolarHBondContact OE2-CE1 3.41Å; E573-Y614 VanDerWaalsContact OE2-CZ 3.26Å; E573-Y614 PolarHBondContact OE2-OH 3.2Å; A611-Y614 PolarHBondContact O-N 2.64Å; Y614-M616 HydrophobicContact CD1-CB 4.23Å; Y614-M616 HydrophobicContact CE1-CB 3.79Å; Y614-M616 PolarHBondContact O-N 3.2Å; Y614-A617 HydrophobicContact CD1-CB 4.14Å; Y614-A617 HydrophobicContact CD2-CB 3.55Å; Y614-A617 HydrophobicContact CE2-CB 3.99Å; Y614-A617 HydrophobicContact CG-CB 3.63Å; Y614-A617 PolarHBondContact O-N 2.88Å; Y614-K618 PolarHBondContact O-N 2.73Å
615	H	94.6	Very high	95.6	Very high	103 Å²	103	20.1 Å²	20.1	48%	0.477	12%	0.115	S	C	.	.	H	α-helix	trans	-52.5	-54	-177.9	179.8	61.3	0	0	0	113.2	G613 A617 K618 M619 D761	G613-H615 PolarHBondContact O-N 2.95Å; H615-A617 VanDerWaalsContact C-N 3.3Å; H615-A617 PolarHBondContact O-N 3.48Å; H615-K618 WeakPolarHBondContact O-CB 3.42Å; H615-K618 PolarHBondContact O-N 2.94Å; H615-M619 WeakPolarHBondContact O-CG 3.4Å; H615-M619 PolarHBondContact O-N 3.25Å; H615-D761 IonicContact CD2-OD2 2.68Å; H615-D761 IonicContact CE1-OD2 2.8Å; H615-D761 IonicContact NE2-OD2 3.34Å; H615-D761 PolarHBondContact NE2-OD2 3.08Å
616	M	97.3	Very high	95.6	Very high	24 Å²	24	20.4 Å²	20.4	12%	0.118	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-40.2	-177.9	-171.6	56.6	65.5	0	0	112.2	E573 Y614 K618 M619 I620 I762 M765	E573-M616 HydrophobicContact CG-CB 4.42Å; E573-M616 HydrophobicContact CG-CG 3.7Å; Y614-M616 HydrophobicContact CD1-CB 4.23Å; Y614-M616 HydrophobicContact CE1-CB 3.79Å; Y614-M616 PolarHBondContact O-N 3.2Å; M616-K618 PolarHBondContact O-N 3.33Å; M616-M619 WeakPolarHBondContact O-CB 3.42Å; M616-M619 PolarHBondContact O-N 2.78Å; M616-M619 HydrophobicContact SD-CB 4.49Å; M616-I620 HydrophobicContact CG-CD1 4.34Å; M616-I620 VanDerWaalsContact O-CG1 3.25Å; M616-I620 WeakPolarHBondContact O-CG1 3.46Å; M616-I620 PolarHBondContact O-N 3.1Å; M616-I762 HydrophobicContact SD-CG1 3.95Å; M616-M765 HydrophobicContact CE-CB 3.61Å; M616-M765 HydrophobicContact CE-CG 3.96Å; M616-M765 HydrophobicContact CG-CE 4.36Å; M616-M765 HydrophobicContact SD-CE 4.11Å
617	A	96.8	Very high	95.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-38.1	176.1	0	0	0	0	0	112.7	I571 A610 Y614 H615 I620 I621	I571-A617 HydrophobicContact CB-CB 4.28Å; I571-A617 HydrophobicContact CG2-CB 3.94Å; I571-A617 WeakPolarHBondContact CG2-O 3.08Å; A610-A617 HydrophobicContact CB-CB 3.61Å; Y614-A617 HydrophobicContact CD1-CB 4.14Å; Y614-A617 HydrophobicContact CD2-CB 3.55Å; Y614-A617 HydrophobicContact CE2-CB 3.99Å; Y614-A617 HydrophobicContact CG-CB 3.63Å; Y614-A617 PolarHBondContact O-N 2.88Å; H615-A617 VanDerWaalsContact C-N 3.3Å; H615-A617 PolarHBondContact O-N 3.48Å; A617-I620 PolarHBondContact O-N 3.3Å; A617-I621 PolarHBondContact O-N 2.83Å
618	K	97.8	Very high	95.6	Very high	39 Å²	39	20.7 Å²	20.7	17%	0.17	12%	0.119	C	C	.	.	H	α-helix	trans	-67.4	-38.8	172.9	-71.4	-172.9	170.6	-172.1	0	112.1	E178 A610 P612 Y614 H615 M616 I620 I621 K622	E178-K618 VanDerWaalsContact CD-NZ 3.26Å; E178-K618 WeakPolarHBondContact OE1-CE 3.45Å; E178-K618 IonicContact OE1-NZ 2.82Å; E178-K618 PolarHBondContact OE1-NZ 3.06Å; E178-K618 IonicContact OE2-NZ 3.67Å; E178-K618 PolarHBondContact OE2-NZ 3.3Å; A610-K618 HydrophobicContact CB-CG 3.94Å; P612-K618 VanDerWaalsContact O-CE 3.28Å; P612-K618 WeakPolarHBondContact O-CE 3.07Å; P612-K618 PolarHBondContact O-NZ 3.34Å; P612-K618 VanDerWaalsContact O-NZ 3.13Å; Y614-K618 PolarHBondContact O-N 2.73Å; H615-K618 WeakPolarHBondContact O-CB 3.42Å; H615-K618 PolarHBondContact O-N 2.94Å; M616-K618 PolarHBondContact O-N 3.33Å; K618-I620 VanDerWaalsContact C-N 3.31Å; K618-I620 PolarHBondContact O-N 3.17Å; K618-I621 PolarHBondContact O-N 2.94Å; K618-K622 PolarHBondContact O-N 3.22Å
619	M	98.5	Very high	95.6	Very high	5 Å²	5	25 Å²	25	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-40.7	173.5	-70.3	-56.8	-61.1	0	0	111.9	W175 H615 M616 K622 L623 L758 F759 I762	W175-M619 HydrophobicContact CH2-CE 4.31Å; W175-M619 HydrophobicContact CH2-SD 3.45Å; W175-M619 WeakPolarHBondContact CH2-SD 3.46Å; W175-M619 HydrophobicContact CZ3-SD 3.73Å; H615-M619 WeakPolarHBondContact O-CG 3.4Å; H615-M619 PolarHBondContact O-N 3.25Å; M616-M619 WeakPolarHBondContact O-CB 3.42Å; M616-M619 PolarHBondContact O-N 2.78Å; M616-M619 HydrophobicContact SD-CB 4.49Å; M619-K622 PolarHBondContact O-N 3.48Å; M619-L623 PolarHBondContact O-N 3.18Å; M619-L758 HydrophobicContact CE-CD1 4.39Å; M619-L758 WeakPolarHBondContact CE-O 3.38Å; M619-F759 HydrophobicContact CE-CD1 4.02Å; M619-F759 HydrophobicContact CE-CE1 4.48Å; M619-I762 HydrophobicContact CB-CD1 4.03Å; M619-I762 HydrophobicContact CB-CG1 4.02Å
620	I	98.8	Very high	95.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-44.1	175.9	-67.5	168.2	0	0	0	111.3	I571 E573 Q577 L578 M616 A617 K618 K622 L623 I624	I571-I620 HydrophobicContact CG2-CB 4.08Å; I571-I620 HydrophobicContact CG2-CG2 3.95Å; E573-I620 HydrophobicContact CG-CD1 4.32Å; Q577-I620 HydrophobicContact CB-CG2 3.95Å; L578-I620 HydrophobicContact CD1-CD1 3.84Å; L578-I620 HydrophobicContact CD1-CG1 3.93Å; L578-I620 HydrophobicContact CD2-CG1 3.83Å; L578-I620 HydrophobicContact CD2-CG2 4.44Å; L578-I620 HydrophobicContact CG-CD1 3.83Å; L578-I620 HydrophobicContact CG-CG1 3.69Å; L578-I620 HydrophobicContact CG-CG2 4.41Å; M616-I620 HydrophobicContact CG-CD1 4.34Å; M616-I620 VanDerWaalsContact O-CG1 3.25Å; M616-I620 WeakPolarHBondContact O-CG1 3.46Å; M616-I620 PolarHBondContact O-N 3.1Å; A617-I620 PolarHBondContact O-N 3.3Å; K618-I620 VanDerWaalsContact C-N 3.31Å; K618-I620 PolarHBondContact O-N 3.17Å; I620-K622 VanDerWaalsContact C-N 3.3Å; I620-K622 PolarHBondContact O-N 3.22Å; I620-L623 PolarHBondContact O-N 3.48Å; I620-I624 HydrophobicContact CG2-CD1 3.81Å; I620-I624 WeakPolarHBondContact O-CD1 3.48Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.44Å; I620-I624 PolarHBondContact O-N 3.31Å
621	I	98.8	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-46.2	174.6	-66.3	172.9	0	0	0	110.2	I171 Q176 I571 A610 A617 K618 L623 I624 T625 F645	I171-I621 HydrophobicContact CD1-CG2 4Å; Q176-I621 HydrophobicContact CB-CD1 3.97Å; Q176-I621 VanDerWaalsContact OE1-CD1 3.23Å; I571-I621 HydrophobicContact CG1-CD1 3.98Å; I571-I621 HydrophobicContact CG1-CG1 3.86Å; I571-I621 HydrophobicContact CG2-CG1 4.37Å; A610-I621 HydrophobicContact CB-CD1 3.68Å; A617-I621 PolarHBondContact O-N 2.83Å; K618-I621 PolarHBondContact O-N 2.94Å; I621-L623 VanDerWaalsContact C-N 3.34Å; I621-L623 PolarHBondContact O-N 3.39Å; I621-I624 PolarHBondContact O-N 2.94Å; I621-T625 WeakPolarHBondContact O-CG2 3.29Å; I621-T625 PolarHBondContact O-N 3.08Å; I621-T625 PolarHBondContact O-OG1 3.14Å; I621-F645 HydrophobicContact CB-CE2 4.26Å; I621-F645 HydrophobicContact CB-CZ 4.35Å; I621-F645 HydrophobicContact CD1-CZ 4.08Å; I621-F645 HydrophobicContact CG1-CE2 3.88Å; I621-F645 HydrophobicContact CG1-CZ 3.83Å; I621-F645 HydrophobicContact CG2-CD2 4.38Å; I621-F645 HydrophobicContact CG2-CE1 4.17Å; I621-F645 HydrophobicContact CG2-CE2 3.89Å; I621-F645 HydrophobicContact CG2-CZ 3.76Å
622	K	98.7	Very high	96.4	Very high	24 Å²	24	25.9 Å²	25.9	10%	0.104	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-38.7	178.9	179.9	57.8	-175.9	163.3	0	112.7	D173 G174 W175 K618 M619 I620 T625 S626 L758 F759	D173-K622 PolarHBondContact O-NZ 3.19Å; G174-K622 WeakPolarHBondContact O-CA 3.49Å; W175-K622 HydrophobicContact CD2-CB 4.02Å; W175-K622 HydrophobicContact CD2-CD 3.94Å; W175-K622 HydrophobicContact CD2-CG 3.97Å; W175-K622 HydrophobicContact CE3-CB 3.79Å; W175-K622 HydrophobicContact CE3-CG 4.19Å; W175-K622 HydrophobicContact CG-CD 4.15Å; W175-K622 HydrophobicContact CH2-CB 4.08Å; W175-K622 HydrophobicContact CH2-CG 3.95Å; W175-K622 HydrophobicContact CZ2-CB 4.28Å; W175-K622 HydrophobicContact CZ2-CD 4.2Å; W175-K622 HydrophobicContact CZ2-CG 3.71Å; W175-K622 HydrophobicContact CZ3-CB 3.82Å; W175-K622 HydrophobicContact CZ3-CG 4.17Å; K618-K622 PolarHBondContact O-N 3.22Å; M619-K622 PolarHBondContact O-N 3.48Å; I620-K622 VanDerWaalsContact C-N 3.3Å; I620-K622 PolarHBondContact O-N 3.22Å; K622-T625 PolarHBondContact O-OG1 2.96Å; K622-S626 WeakPolarHBondContact CE-OG 3.49Å; K622-S626 PolarHBondContact NZ-OG 3.31Å; K622-S626 WeakPolarHBondContact O-CB 3.41Å; K622-S626 PolarHBondContact O-N 3.29Å; K622-S626 PolarHBondContact O-OG 3.32Å; K622-L758 HydrophobicContact CG-CD2 4.23Å; K622-F759 HydrophobicContact CB-CE1 4.44Å; K622-F759 HydrophobicContact CG-CE1 4.02Å; K622-F759 HydrophobicContact CG-CZ 4.28Å
623	L	98.8	Very high	96.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-48	175.8	179.2	62.1	0	0	0	110.9	L578 M619 I620 I621 T625 S626 V627 I746 F759 I762	L578-L623 HydrophobicContact CD2-CD2 3.72Å; M619-L623 PolarHBondContact O-N 3.18Å; I620-L623 PolarHBondContact O-N 3.48Å; I621-L623 VanDerWaalsContact C-N 3.34Å; I621-L623 PolarHBondContact O-N 3.39Å; L623-T625 VanDerWaalsContact C-N 3.34Å; L623-T625 PolarHBondContact O-N 2.8Å; L623-S626 PolarHBondContact O-N 3.35Å; L623-V627 HydrophobicContact CD1-CG2 4.05Å; L623-V627 HydrophobicContact CG-CG2 4.39Å; L623-V627 WeakPolarHBondContact O-CG2 3.27Å; L623-V627 PolarHBondContact O-N 2.96Å; L623-I746 HydrophobicContact CD1-CG1 4.36Å; L623-I746 HydrophobicContact CD1-CG2 4.23Å; L623-I746 HydrophobicContact CD2-CD1 4.34Å; L623-F759 HydrophobicContact CB-CD1 4.14Å; L623-F759 HydrophobicContact CB-CE1 3.75Å; L623-F759 HydrophobicContact CB-CZ 4.21Å; L623-F759 HydrophobicContact CD1-CD1 4.09Å; L623-F759 HydrophobicContact CD1-CD2 3.95Å; L623-F759 HydrophobicContact CD1-CE1 4.01Å; L623-F759 HydrophobicContact CD1-CE2 3.84Å; L623-F759 HydrophobicContact CD1-CG 4.07Å; L623-F759 HydrophobicContact CD1-CZ 3.88Å; L623-F759 HydrophobicContact CG-CE1 4.49Å; L623-I762 HydrophobicContact CB-CD1 3.89Å; L623-I762 HydrophobicContact CD2-CD1 3.85Å; L623-I762 HydrophobicContact CD2-CG2 4.49Å; L623-I762 HydrophobicContact CG-CD1 4.42Å
624	I	98.8	Very high	97.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-46.1	179.8	-66.4	158	0	0	0	111.1	Q577 C581 I606 I620 I621 V627 A628 F645	Q577-I624 HydrophobicContact CB-CD1 4.3Å; C581-I624 HydrophobicContact CB-CG1 4.47Å; I606-I624 HydrophobicContact CB-CD1 4.45Å; I606-I624 HydrophobicContact CB-CG2 4.3Å; I606-I624 HydrophobicContact CD1-CD1 4.2Å; I606-I624 HydrophobicContact CD1-CG1 4.18Å; I606-I624 HydrophobicContact CD1-CG2 4.08Å; I606-I624 HydrophobicContact CG2-CD1 3.8Å; I620-I624 HydrophobicContact CG2-CD1 3.81Å; I620-I624 WeakPolarHBondContact O-CD1 3.48Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.44Å; I620-I624 PolarHBondContact O-N 3.31Å; I621-I624 PolarHBondContact O-N 2.94Å; I624-V627 PolarHBondContact O-N 3.39Å; I624-A628 WeakPolarHBondContact O-CB 3.3Å; I624-A628 PolarHBondContact O-N 3.38Å; I624-F645 HydrophobicContact CB-CD2 4.4Å; I624-F645 HydrophobicContact CG2-CB 4.44Å; I624-F645 HydrophobicContact CG2-CD2 3.97Å
625	T	98.6	Very high	97.6	Very high	11 Å²	11	31.5 Å²	31.5	7%	0.067	17%	0.171	C	C	.	.	H	α-helix	trans	-66.7	-38.5	178.9	54.6	0	0	0	0	111.8	I171 G174 I621 K622 L623 A628 D629 F645	I171-T625 HydrophobicContact CG2-CG2 4.17Å; G174-T625 VanDerWaalsContact CA-OG1 3.23Å; G174-T625 WeakPolarHBondContact CA-OG1 3.28Å; G174-T625 PolarHBondContact O-OG1 2.78Å; I621-T625 WeakPolarHBondContact O-CG2 3.29Å; I621-T625 PolarHBondContact O-N 3.08Å; I621-T625 PolarHBondContact O-OG1 3.14Å; K622-T625 PolarHBondContact O-OG1 2.96Å; L623-T625 VanDerWaalsContact C-N 3.34Å; L623-T625 PolarHBondContact O-N 2.8Å; T625-A628 WeakPolarHBondContact O-CB 3.24Å; T625-A628 PolarHBondContact O-N 3.05Å; T625-D629 VanDerWaalsContact O-CG 3.25Å; T625-D629 PolarHBondContact O-N 3.49Å; T625-F645 HydrophobicContact CG2-CB 3.8Å; T625-F645 HydrophobicContact CG2-CG 4.11Å
626	S	98.6	Very high	97.6	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-37.1	178.5	-51.7	0	0	0	0	112.4	K622 L623 D629 V630 F751	K622-S626 WeakPolarHBondContact CE-OG 3.49Å; K622-S626 PolarHBondContact NZ-OG 3.31Å; K622-S626 WeakPolarHBondContact O-CB 3.41Å; K622-S626 PolarHBondContact O-N 3.29Å; K622-S626 PolarHBondContact O-OG 3.32Å; L623-S626 PolarHBondContact O-N 3.35Å; S626-D629 PolarHBondContact O-N 3.46Å; S626-V630 PolarHBondContact O-N 3.08Å; S626-F751 WeakPolarHBondContact CB-O 3.36Å
627	V	98.7	Very high	97.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-43.6	170.6	171.2	0	0	0	0	110.4	V584 I585 L623 I624 D629 V630 V631 F751	V584-V627 HydrophobicContact CG1-CG1 3.89Å; I585-V627 HydrophobicContact CD1-CG2 3.88Å; I585-V627 HydrophobicContact CG1-CG1 3.92Å; I585-V627 HydrophobicContact CG1-CG2 4.03Å; L623-V627 HydrophobicContact CD1-CG2 4.05Å; L623-V627 HydrophobicContact CG-CG2 4.39Å; L623-V627 WeakPolarHBondContact O-CG2 3.27Å; L623-V627 PolarHBondContact O-N 2.96Å; I624-V627 PolarHBondContact O-N 3.39Å; V627-D629 VanDerWaalsContact C-N 3.32Å; V627-D629 PolarHBondContact O-N 3.06Å; V627-V630 PolarHBondContact O-N 3.2Å; V627-V631 HydrophobicContact CG1-CG2 4.08Å; V627-V631 VanDerWaalsContact O-CG2 3.3Å; V627-V631 WeakPolarHBondContact O-CG2 3.31Å; V627-V631 PolarHBondContact O-N 2.77Å; V627-F751 HydrophobicContact CB-CD1 4.29Å; V627-F751 HydrophobicContact CB-CE1 4.38Å; V627-F751 HydrophobicContact CG1-CE1 4.31Å; V627-F751 HydrophobicContact CG2-CD1 3.8Å; V627-F751 HydrophobicContact CG2-CD2 4.25Å; V627-F751 HydrophobicContact CG2-CE1 4.01Å; V627-F751 HydrophobicContact CG2-CE2 4.43Å; V627-F751 HydrophobicContact CG2-CG 3.94Å; V627-F751 HydrophobicContact CG2-CZ 4.32Å
628	A	97.9	Very high	97.1	Very high	5 Å²	5	31.9 Å²	31.9	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-42	176.9	0	0	0	0	0	112.1	I624 T625 V630 V631 N632 V643	I624-A628 WeakPolarHBondContact O-CB 3.3Å; I624-A628 PolarHBondContact O-N 3.38Å; T625-A628 WeakPolarHBondContact O-CB 3.24Å; T625-A628 PolarHBondContact O-N 3.05Å; A628-V630 VanDerWaalsContact C-N 3.32Å; A628-V630 PolarHBondContact O-N 2.84Å; A628-V631 PolarHBondContact O-N 3.11Å; A628-N632 WeakPolarHBondContact O-CB 3.26Å; A628-N632 PolarHBondContact O-N 2.79Å; A628-N632 PolarHBondContact O-ND2 3Å; A628-V643 HydrophobicContact CB-CB 3.82Å; A628-V643 HydrophobicContact CB-CG1 3.85Å; A628-V643 WeakPolarHBondContact CB-O 3.44Å
629	D	97.3	Very high	96.7	Very high	90 Å²	90	34.3 Å²	34.3	48%	0.481	21%	0.209	S	C	.	.	H	α-helix	trans	-59.9	-41.3	177.8	-71.4	-21.8	0	0	0	112.1	T625 S626 V627 N633	T625-D629 VanDerWaalsContact O-CG 3.25Å; T625-D629 PolarHBondContact O-N 3.49Å; S626-D629 PolarHBondContact O-N 3.46Å; V627-D629 VanDerWaalsContact C-N 3.32Å; V627-D629 PolarHBondContact O-N 3.06Å; D629-N633 WeakPolarHBondContact O-CB 3.41Å; D629-N633 PolarHBondContact O-ND2 2.84Å
630	V	98.1	Very high	96.6	Very high	37 Å²	37	36.1 Å²	36.1	22%	0.224	22%	0.217	C	C	.	.	H	α-helix	trans	-70	-52.2	176.7	174.9	0	0	0	0	111.1	Y588 S626 V627 A628 N632 N633 D634 F750 F751	Y588-V630 HydrophobicContact CE1-CG1 4.49Å; S626-V630 PolarHBondContact O-N 3.08Å; V627-V630 PolarHBondContact O-N 3.2Å; A628-V630 VanDerWaalsContact C-N 3.32Å; A628-V630 PolarHBondContact O-N 2.84Å; V630-N632 PolarHBondContact O-N 3.45Å; V630-N633 PolarHBondContact O-N 3.28Å; V630-D634 PolarHBondContact O-N 3Å; V630-F750 HydrophobicContact CG1-CE1 3.9Å; V630-F750 HydrophobicContact CG1-CZ 4.39Å; V630-F751 HydrophobicContact CB-CD1 3.99Å; V630-F751 HydrophobicContact CB-CE1 4.11Å; V630-F751 HydrophobicContact CG1-CD1 4.42Å; V630-F751 HydrophobicContact CG1-CE1 4.18Å; V630-F751 HydrophobicContact CG2-CD1 3.79Å; V630-F751 HydrophobicContact CG2-CE1 4.36Å
631	V	98	Very high	96.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-44.9	-175.1	173.5	0	0	0	0	111.5	Y588 V627 A628 N633 D634 V637 L641 V643	Y588-V631 HydrophobicContact CD2-CB 4.44Å; Y588-V631 HydrophobicContact CD2-CG2 3.81Å; Y588-V631 HydrophobicContact CE2-CG2 4.48Å; Y588-V631 HydrophobicContact CG-CG2 4Å; V627-V631 HydrophobicContact CG1-CG2 4.08Å; V627-V631 VanDerWaalsContact O-CG2 3.3Å; V627-V631 WeakPolarHBondContact O-CG2 3.31Å; V627-V631 PolarHBondContact O-N 2.77Å; A628-V631 PolarHBondContact O-N 3.11Å; V631-N633 VanDerWaalsContact C-N 3.26Å; V631-N633 PolarHBondContact O-N 2.73Å; V631-D634 PolarHBondContact O-N 2.89Å; V631-V637 HydrophobicContact CG1-CG1 4.32Å; V631-L641 HydrophobicContact CG1-CB 4.27Å; V631-L641 HydrophobicContact CG1-CD2 3.81Å; V631-L641 HydrophobicContact CG1-CG 3.82Å; V631-V643 HydrophobicContact CB-CG2 4.13Å; V631-V643 HydrophobicContact CG1-CG2 3.9Å; V631-V643 HydrophobicContact CG2-CG2 4.36Å
632	N	96.7	Very high	96.5	Very high	40 Å²	40	39 Å²	39	21%	0.214	23%	0.229	C	C	.	.	H	α-helix	trans	-72.6	-18.2	-172.8	-70.3	-21.9	0	0	0	114.1	A628 V630 K642 V643	A628-N632 WeakPolarHBondContact O-CB 3.26Å; A628-N632 PolarHBondContact O-N 2.79Å; A628-N632 PolarHBondContact O-ND2 3Å; V630-N632 PolarHBondContact O-N 3.45Å; N632-K642 HydrophobicContact CB-CD 4.34Å; N632-K642 VanDerWaalsContact CG-CE 3.47Å; N632-K642 WeakPolarHBondContact OD1-CA 3.43Å; N632-K642 WeakPolarHBondContact OD1-CD 3.31Å; N632-K642 WeakPolarHBondContact OD1-CE 3.39Å; N632-K642 WeakPolarHBondContact OD1-CG 3.45Å; N632-V643 PolarHBondContact ND2-O 3.01Å; N632-V643 PolarHBondContact OD1-N 3.48Å; N632-V643 PolarHBondContact OD1-O 3.46Å
633	N	96.1	Very high	96.5	Very high	128 Å²	128	38 Å²	38	68%	0.684	23%	0.225	S	C	*	.	H	α-helix	trans	-107.7	1	-178.6	-67.5	-56.2	0	0	0	112.9	D629 V630 V631 P635	D629-N633 WeakPolarHBondContact O-CB 3.41Å; D629-N633 PolarHBondContact O-ND2 2.84Å; V630-N633 PolarHBondContact O-N 3.28Å; V631-N633 VanDerWaalsContact C-N 3.26Å; V631-N633 PolarHBondContact O-N 2.73Å; N633-P635 WeakPolarHBondContact O-CD 3.29Å
634	D	96.8	Very high	96.4	Very high	23 Å²	23	38.6 Å²	38.6	12%	0.123	23%	0.228	C	C	.	.			trans	-83.1	115.1	177	-168.1	-44.6	0	0	0	111.5	Y588 K592 V630 V631 M636 V637 G638	Y588-D634 HydrophobicContact CE2-CB 4.07Å; Y588-D634 PolarHBondContact OH-OD2 3.11Å; K592-D634 VanDerWaalsContact CD-OD2 3.31Å; K592-D634 WeakPolarHBondContact CD-OD2 3.43Å; K592-D634 WeakPolarHBondContact CE-OD2 3.28Å; K592-D634 IonicContact NZ-OD1 2.64Å; K592-D634 PolarHBondContact NZ-OD1 3.37Å; K592-D634 IonicContact NZ-OD2 3.37Å; K592-D634 PolarHBondContact NZ-OD2 3.15Å; V630-D634 PolarHBondContact O-N 3Å; V631-D634 PolarHBondContact O-N 2.89Å; D634-M636 VanDerWaalsContact C-N 3.26Å; D634-M636 PolarHBondContact O-N 3.28Å; D634-M636 VanDerWaalsContact OD1-CB 3.3Å; D634-M636 WeakPolarHBondContact OD1-CB 3.41Å; D634-M636 PolarHBondContact OD1-N 3.48Å; D634-V637 HydrophobicContact CB-CB 4.28Å; D634-V637 HydrophobicContact CB-CG2 3.81Å; D634-V637 WeakPolarHBondContact O-CB 3.47Å; D634-V637 PolarHBondContact O-N 3.14Å; D634-V637 VanDerWaalsContact O-N 3.14Å; D634-G638 PolarHBondContact O-N 3.04Å
635	P	94.6	Very high	96.4	Very high	120 Å²	120	39.7 Å²	39.7	78%	0.779	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.4	-177.3	28	-35.1	0	0	0	113.6	N633 V637	N633-P635 WeakPolarHBondContact O-CD 3.29Å; P635-V637 VanDerWaalsContact C-N 3.33Å
636	M	93.8	Very high	96.3	Very high	84 Å²	84	39.2 Å²	39.2	41%	0.414	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-26.7	175.6	-69.2	169.4	42.8	0	0	112.3	K592 P595 D634	K592-M636 HydrophobicContact CB-CE 4.46Å; K592-M636 HydrophobicContact CD-CB 4.3Å; K592-M636 HydrophobicContact CD-CE 3.72Å; K592-M636 HydrophobicContact CD-SD 4.43Å; K592-M636 VanDerWaalsContact CE-CE 3.43Å; K592-M636 PolarHBondContact NZ-SD 3.25Å; P595-M636 HydrophobicContact CG-CE 3.6Å; D634-M636 VanDerWaalsContact C-N 3.26Å; D634-M636 PolarHBondContact O-N 3.28Å; D634-M636 VanDerWaalsContact OD1-CB 3.3Å; D634-M636 WeakPolarHBondContact OD1-CB 3.41Å; D634-M636 PolarHBondContact OD1-N 3.48Å
637	V	94.8	Very high	96.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-41.6	174.7	177.7	0	0	0	0	110.1	Y588 I591 V631 D634 P635 S639 K640 L641	Y588-V637 HydrophobicContact CD2-CG2 3.57Å; Y588-V637 HydrophobicContact CE2-CG2 3.61Å; I591-V637 HydrophobicContact CG2-CG2 4.35Å; V631-V637 HydrophobicContact CG1-CG1 4.32Å; D634-V637 HydrophobicContact CB-CB 4.28Å; D634-V637 HydrophobicContact CB-CG2 3.81Å; D634-V637 WeakPolarHBondContact O-CB 3.47Å; D634-V637 PolarHBondContact O-N 3.14Å; D634-V637 VanDerWaalsContact O-N 3.14Å; P635-V637 VanDerWaalsContact C-N 3.33Å; V637-S639 PolarHBondContact O-N 3.39Å; V637-K640 WeakPolarHBondContact O-CB 3.28Å; V637-K640 WeakPolarHBondContact O-CG 3.33Å; V637-K640 PolarHBondContact O-N 3.05Å; V637-K640 VanDerWaalsContact O-N 3.11Å; V637-L641 HydrophobicContact CG1-CB 3.73Å; V637-L641 WeakPolarHBondContact CG1-O 3.5Å
638	G	88.3	Confident	96.1	Very high	51 Å²	51	41 Å²	41	53%	0.526	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-128.3	178.3	0	0	0	0	0	111.9	D634	D634-G638 PolarHBondContact O-N 3.04Å
639	S	90.1	Very high	96.1	Very high	89 Å²	89	42.6 Å²	42.6	62%	0.622	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	9.5	179.9	66.5	0	0	0	0	114.4	V637	V637-S639 PolarHBondContact O-N 3.39Å
640	K	95.6	Very high	96	Very high	44 Å²	44	41.1 Å²	41.1	19%	0.191	23%	0.231	C	C	.	.	S	Bend	trans	-78.9	-33.6	-176	-61.2	-176.5	-175.8	-172.2	0	112.8	I591 P595 K597 F599 P601 R602 V637	I591-K640 HydrophobicContact CD1-CB 4.12Å; I591-K640 HydrophobicContact CG2-CD 4.2Å; P595-K640 PolarHBondContact O-NZ 3.38Å; K597-K640 PolarHBondContact O-NZ 3.27Å; F599-K640 HydrophobicContact CD2-CD 4.25Å; P601-K640 CarbonylContact C-O 3.51Å; P601-K640 VanDerWaalsContact CA-O 3.26Å; P601-K640 WeakPolarHBondContact CA-O 3.47Å; R602-K640 PolarHBondContact N-O 2.78Å; V637-K640 WeakPolarHBondContact O-CB 3.28Å; V637-K640 WeakPolarHBondContact O-CG 3.33Å; V637-K640 PolarHBondContact O-N 3.05Å; V637-K640 VanDerWaalsContact O-N 3.11Å
641	L	98.1	Very high	96	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	129.8	179.5	-177.4	63.6	0	0	0	109.6	V584 M587 I591 R602 V604 V631 V637 V643	V584-L641 HydrophobicContact CG1-CD2 4.49Å; M587-L641 HydrophobicContact CB-CD2 3.96Å; M587-L641 HydrophobicContact CE-CD1 4.19Å; M587-L641 HydrophobicContact SD-CD1 4.28Å; I591-L641 HydrophobicContact CD1-CB 3.95Å; I591-L641 HydrophobicContact CD1-CD2 4.44Å; R602-L641 HydrophobicContact CB-CD1 4.14Å; R602-L641 WeakPolarHBondContact O-CA 3.48Å; V604-L641 HydrophobicContact CG2-CD1 4.02Å; V631-L641 HydrophobicContact CG1-CB 4.27Å; V631-L641 HydrophobicContact CG1-CD2 3.81Å; V631-L641 HydrophobicContact CG1-CG 3.82Å; V637-L641 HydrophobicContact CG1-CB 3.73Å; V637-L641 WeakPolarHBondContact CG1-O 3.5Å; L641-V643 HydrophobicContact CG-CG2 4.45Å
642	K	97.9	Very high	95.9	Very high	58 Å²	58	39.5 Å²	39.5	25%	0.252	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.7	170.6	-162.5	80.4	-175.1	179	0	108.3	I558 R602 T603 V604 N632 I644	I558-K642 HydrophobicContact CG2-CG 4.44Å; R602-K642 PolarHBondContact O-N 3.32Å; T603-K642 CarbonylContact C-O 3.52Å; T603-K642 WeakPolarHBondContact CA-O 3.2Å; T603-K642 HydrophobicContact CG2-CB 4.33Å; V604-K642 PolarHBondContact N-O 2.93Å; N632-K642 HydrophobicContact CB-CD 4.34Å; N632-K642 VanDerWaalsContact CG-CE 3.47Å; N632-K642 WeakPolarHBondContact OD1-CA 3.43Å; N632-K642 WeakPolarHBondContact OD1-CD 3.31Å; N632-K642 WeakPolarHBondContact OD1-CE 3.39Å; N632-K642 WeakPolarHBondContact OD1-CG 3.45Å; K642-I644 HydrophobicContact CG-CD1 4.45Å; K642-I644 HydrophobicContact CG-CG1 4.37Å
643	V	98.4	Very high	96	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.9	178.8	-173.2	0	0	0	0	108.6	V584 V604 A628 V631 N632 L641	V584-V643 HydrophobicContact CG1-CG1 4.41Å; V584-V643 HydrophobicContact CG1-CG2 3.4Å; V604-V643 CarbonylContact O-C 3.47Å; V604-V643 WeakPolarHBondContact O-CA 3.44Å; A628-V643 HydrophobicContact CB-CB 3.82Å; A628-V643 HydrophobicContact CB-CG1 3.85Å; A628-V643 WeakPolarHBondContact CB-O 3.44Å; V631-V643 HydrophobicContact CB-CG2 4.13Å; V631-V643 HydrophobicContact CG1-CG2 3.9Å; V631-V643 HydrophobicContact CG2-CG2 4.36Å; N632-V643 PolarHBondContact ND2-O 3.01Å; N632-V643 PolarHBondContact OD1-N 3.48Å; N632-V643 PolarHBondContact OD1-O 3.46Å; L641-V643 HydrophobicContact CG-CG2 4.45Å
644	I	97.3	Very high	96.1	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.072	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.1	-177	-61.2	177.5	0	0	0	109.3	L550 V556 I558 T603 V604 I605 I606 K642	L550-I644 HydrophobicContact CD1-CD1 4.12Å; V556-I644 HydrophobicContact CG1-CD1 3.57Å; V556-I644 HydrophobicContact CG1-CG1 4.15Å; I558-I644 HydrophobicContact CG2-CD1 3.22Å; T603-I644 HydrophobicContact CG2-CD1 4.09Å; V604-I644 PolarHBondContact O-N 2.83Å; I605-I644 WeakPolarHBondContact CA-O 3.5Å; I606-I644 PolarHBondContact N-O 2.88Å; K642-I644 HydrophobicContact CG-CD1 4.45Å; K642-I644 HydrophobicContact CG-CG1 4.37Å
645	F	98.3	Very high	96.2	Very high	24 Å²	24	31.5 Å²	31.5	11%	0.105	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.8	162.8	-168.4	-88.5	0	0	0	109.7	I171 I606 G608 I621 I624 T625 E647	I171-F645 HydrophobicContact CD1-CD1 3.89Å; I171-F645 HydrophobicContact CD1-CE1 3.65Å; I171-F645 HydrophobicContact CG1-CD1 3.86Å; I171-F645 HydrophobicContact CG1-CE1 4.05Å; I606-F645 CarbonylContact O-C 3.58Å; I606-F645 VanDerWaalsContact O-CA 3.24Å; I606-F645 WeakPolarHBondContact O-CA 3.23Å; G608-F645 WeakPolarHBondContact O-CZ 3.46Å; I621-F645 HydrophobicContact CB-CE2 4.26Å; I621-F645 HydrophobicContact CB-CZ 4.35Å; I621-F645 HydrophobicContact CD1-CZ 4.08Å; I621-F645 HydrophobicContact CG1-CE2 3.88Å; I621-F645 HydrophobicContact CG1-CZ 3.83Å; I621-F645 HydrophobicContact CG2-CD2 4.38Å; I621-F645 HydrophobicContact CG2-CE1 4.17Å; I621-F645 HydrophobicContact CG2-CE2 3.89Å; I621-F645 HydrophobicContact CG2-CZ 3.76Å; I624-F645 HydrophobicContact CB-CD2 4.4Å; I624-F645 HydrophobicContact CG2-CB 4.44Å; I624-F645 HydrophobicContact CG2-CD2 3.97Å; T625-F645 HydrophobicContact CG2-CB 3.8Å; T625-F645 HydrophobicContact CG2-CG 4.11Å; F645-E647 PolarHBondContact O-N 2.97Å
646	L	97.4	Very high	96.3	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	97.8	-177.5	-169.4	66.6	0	0	0	110.4	F546 L550 V568 I605 I606 L653 V657	F546-L646 HydrophobicContact CZ-CD1 4.18Å; F546-L646 HydrophobicContact CZ-CD2 4.41Å; L550-L646 HydrophobicContact CD2-CD1 3.83Å; V568-L646 HydrophobicContact CG1-CD2 4.14Å; I605-L646 HydrophobicContact CG2-CB 3.94Å; I605-L646 HydrophobicContact CG2-CD2 4.22Å; I606-L646 PolarHBondContact O-N 2.75Å; L646-L653 HydrophobicContact CD1-CD1 4.32Å; L646-L653 HydrophobicContact CD1-CD2 4.08Å; L646-L653 HydrophobicContact CD2-CD1 4.32Å; L646-L653 HydrophobicContact CD2-CD2 3.74Å; L646-L653 HydrophobicContact CD2-CG 3.87Å; L646-L653 HydrophobicContact CG-CD2 3.57Å; L646-L653 HydrophobicContact CG-CG 4.2Å; L646-V657 HydrophobicContact CD2-CB 4.32Å; L646-V657 HydrophobicContact CD2-CG1 4.44Å; L646-V657 HydrophobicContact CD2-CG2 4.35Å
647	E	97.3	Very high	96.6	Very high	32 Å²	32	24 Å²	24	15%	0.15	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	137.2	-177.7	176.3	179.8	115.2	0	0	112.8	Q169 K170 I171 Y554 F645 L653	Q169-E647 WeakPolarHBondContact O-CG 3.48Å; K170-E647 WeakPolarHBondContact CD-OE1 3.5Å; K170-E647 IonicContact NZ-OE1 3.94Å; K170-E647 PolarHBondContact NZ-OE1 2.9Å; I171-E647 HydrophobicContact CG1-CB 4.18Å; I171-E647 HydrophobicContact CG1-CG 4.24Å; I171-E647 PolarHBondContact N-OE2 3.34Å; Y554-E647 HydrophobicContact CE1-CB 3.92Å; Y554-E647 PolarHBondContact OH-O 3.43Å; Y554-E647 VanDerWaalsContact OH-O 3.09Å; F645-E647 PolarHBondContact O-N 2.97Å; E647-L653 WeakPolarHBondContact O-CD2 3.48Å
648	N	96.2	Very high	96.8	Very high	12 Å²	12	24 Å²	24	6%	0.064	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	47.2	172.1	-159	26.6	0	0	0	114.1	N168 Q169 K609 R650	N168-N648 PolarHBondContact OD1-ND2 3.31Å; Q169-N648 HydrophobicContact CB-CB 4.12Å; Q169-N648 PolarHBondContact N-OD1 3.02Å; Q169-N648 VanDerWaalsContact N-OD1 3.16Å; Q169-N648 WeakPolarHBondContact O-CB 3.26Å; K609-N648 WeakPolarHBondContact CE-OD1 3.28Å; K609-N648 PolarHBondContact NZ-OD1 3.33Å; N648-R650 PolarHBondContact ND2-NH1 3.44Å; N648-R650 VanDerWaalsContact ND2-NH1 3.19Å; N648-R650 WeakPolarHBondContact O-CG 3.19Å; N648-R650 PolarHBondContact O-N 3.42Å; N648-R650 PolarHBondContact O-NH1 3.11Å
649	Y	97.1	Very high	97.3	Very high	38 Å²	38	21.7 Å²	21.7	15%	0.149	11%	0.107	C	C	.	.			trans	-53.2	122.5	173.8	-178.7	-113.7	0	0	0	112	V568 A654 V657	V568-Y649 HydrophobicContact CB-CD1 4.41Å; V568-Y649 HydrophobicContact CB-CD2 3.88Å; V568-Y649 HydrophobicContact CB-CE1 4.13Å; V568-Y649 HydrophobicContact CB-CE2 3.59Å; V568-Y649 HydrophobicContact CB-CG 4.28Å; V568-Y649 HydrophobicContact CG1-CD2 4.21Å; V568-Y649 HydrophobicContact CG1-CE2 4.25Å; V568-Y649 HydrophobicContact CG2-CD2 4.43Å; V568-Y649 HydrophobicContact CG2-CE2 3.68Å; Y649-A654 HydrophobicContact CE2-CB 3.65Å; Y649-V657 HydrophobicContact CE2-CG1 4.48Å
650	R	95.8	Very high	97.7	Very high	60 Å²	60	17.5 Å²	17.5	23%	0.226	8%	0.077	C	C	.	.			trans	-154.2	179.5	-174.4	64.5	-170.5	177.9	-85.2	6.3	110.4	Y91 D129 N648 S652 L653 A654	Y91-R650 VanDerWaalsContact OH-CA 3.31Å; Y91-R650 WeakPolarHBondContact OH-CA 3.47Å; Y91-R650 WeakPolarHBondContact OH-CB 3.29Å; D129-R650 IonicContact OD1-NE 3.72Å; N648-R650 PolarHBondContact ND2-NH1 3.44Å; N648-R650 VanDerWaalsContact ND2-NH1 3.19Å; N648-R650 WeakPolarHBondContact O-CG 3.19Å; N648-R650 PolarHBondContact O-N 3.42Å; N648-R650 PolarHBondContact O-NH1 3.11Å; R650-S652 PolarHBondContact NE-OG 3.32Å; R650-L653 HydrophobicContact CG-CB 4.18Å; R650-L653 PolarHBondContact O-N 2.85Å; R650-A654 WeakPolarHBondContact O-CB 3.3Å; R650-A654 PolarHBondContact O-N 3.22Å
651	V	97.3	Very high	97.8	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.024	7%	0.068	C	C	.	.	H	α-helix	trans	-60.5	-49.6	-174.6	178.4	0	0	0	0	111.5	Y91 D129 W492 L653 A654 E655	Y91-V651 HydrophobicContact CD1-CG2 3.64Å; Y91-V651 HydrophobicContact CD2-CG2 4.16Å; Y91-V651 HydrophobicContact CE1-CG2 3.83Å; Y91-V651 HydrophobicContact CE2-CG2 4.34Å; Y91-V651 HydrophobicContact CG-CG2 3.84Å; D129-V651 PolarHBondContact OD2-N 3.08Å; W492-V651 HydrophobicContact CH2-CG1 4.07Å; W492-V651 HydrophobicContact CZ2-CG1 4.36Å; V651-L653 PolarHBondContact O-N 3.49Å; V651-A654 WeakPolarHBondContact O-CB 3.49Å; V651-A654 PolarHBondContact O-N 3.15Å; V651-A654 VanDerWaalsContact O-N 3.09Å; V651-E655 WeakPolarHBondContact O-CG 3.48Å; V651-E655 PolarHBondContact O-N 2.98Å
652	S	96.8	Very high	97.9	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	7%	0.069	C	C	.	.	H	α-helix	trans	-61.9	-27.1	178.2	55.7	0	0	0	0	114.3	D129 R650 K656	D129-S652 VanDerWaalsContact CG-OG 3.31Å; D129-S652 WeakPolarHBondContact OD1-CB 3.44Å; D129-S652 PolarHBondContact OD1-OG 3.29Å; D129-S652 PolarHBondContact OD2-N 3Å; D129-S652 PolarHBondContact OD2-OG 2.83Å; R650-S652 PolarHBondContact NE-OG 3.32Å; S652-K656 PolarHBondContact O-NZ 3.05Å
653	L	97.5	Very high	97.9	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-81.8	-34.8	175.1	-169.7	56.3	0	0	0	112	F549 L646 E647 R650 V651 E655 K656 V657	F549-L653 HydrophobicContact CE1-CD1 3.57Å; F549-L653 HydrophobicContact CZ-CD1 3.77Å; L646-L653 HydrophobicContact CD1-CD1 4.32Å; L646-L653 HydrophobicContact CD1-CD2 4.08Å; L646-L653 HydrophobicContact CD2-CD1 4.32Å; L646-L653 HydrophobicContact CD2-CD2 3.74Å; L646-L653 HydrophobicContact CD2-CG 3.87Å; L646-L653 HydrophobicContact CG-CD2 3.57Å; L646-L653 HydrophobicContact CG-CG 4.2Å; E647-L653 WeakPolarHBondContact O-CD2 3.48Å; R650-L653 HydrophobicContact CG-CB 4.18Å; R650-L653 PolarHBondContact O-N 2.85Å; V651-L653 PolarHBondContact O-N 3.49Å; L653-E655 VanDerWaalsContact C-N 3.32Å; L653-K656 PolarHBondContact O-N 3.06Å; L653-K656 VanDerWaalsContact O-N 3.14Å; L653-V657 WeakPolarHBondContact O-CG1 3.01Å; L653-V657 PolarHBondContact O-N 2.82Å
654	A	98.4	Very high	98	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-60.3	-42.1	171.7	0	0	0	0	0	111.5	W492 Y649 R650 V651 K656 V657 I658	W492-A654 HydrophobicContact CH2-CB 3.95Å; W492-A654 HydrophobicContact CZ3-CB 3.94Å; Y649-A654 HydrophobicContact CE2-CB 3.65Å; R650-A654 WeakPolarHBondContact O-CB 3.3Å; R650-A654 PolarHBondContact O-N 3.22Å; V651-A654 WeakPolarHBondContact O-CB 3.49Å; V651-A654 PolarHBondContact O-N 3.15Å; V651-A654 VanDerWaalsContact O-N 3.09Å; A654-K656 PolarHBondContact O-N 3.08Å; A654-V657 PolarHBondContact O-N 2.93Å; A654-I658 HydrophobicContact CB-CD1 3.93Å; A654-I658 VanDerWaalsContact O-CB 3.3Å; A654-I658 WeakPolarHBondContact O-CB 3.29Å; A654-I658 WeakPolarHBondContact O-CD1 3.39Å; A654-I658 WeakPolarHBondContact O-CG1 3.42Å; A654-I658 PolarHBondContact O-N 2.61Å
655	E	98.5	Very high	98	Very high	20 Å²	20	12 Å²	12	9%	0.093	5%	0.053	C	C	.	.	H	α-helix	trans	-59.8	-22.5	175.3	-71.1	166.4	176.8	0	0	113	R491 W492 L495 C496 V651 L653 P659	R491-E655 VanDerWaalsContact CD-OE1 3.26Å; R491-E655 WeakPolarHBondContact CD-OE1 3.47Å; R491-E655 WeakPolarHBondContact CG-OE1 3.33Å; R491-E655 IonicContact CZ-OE1 2.85Å; R491-E655 IonicContact NE-OE1 3.8Å; R491-E655 IonicContact NH1-OE1 3.04Å; R491-E655 PolarHBondContact NH1-OE1 3.39Å; W492-E655 HydrophobicContact CH2-CG 4.4Å; W492-E655 HydrophobicContact CZ3-CG 3.99Å; L495-E655 HydrophobicContact CD2-CG 4.42Å; C496-E655 HydrophobicContact CB-CB 4.01Å; C496-E655 HydrophobicContact CB-CG 4.23Å; C496-E655 WeakPolarHBondContact CB-O 3.19Å; V651-E655 WeakPolarHBondContact O-CG 3.48Å; V651-E655 PolarHBondContact O-N 2.98Å; L653-E655 VanDerWaalsContact C-N 3.32Å; E655-P659 VanDerWaalsContact O-CD 3.29Å; E655-P659 WeakPolarHBondContact O-CD 3.3Å; E655-P659 WeakPolarHBondContact O-CG 3.29Å
656	K	98.4	Very high	98	Very high	46 Å²	46	11.4 Å²	11.4	20%	0.2	5%	0.05	C	C	.	.	H	α-helix	trans	-92.6	-45.8	177.2	-66.3	178.4	173.6	74	0	113.2	E125 F546 F549 S652 L653 A654	E125-K656 VanDerWaalsContact CD-NZ 3.29Å; E125-K656 WeakPolarHBondContact OE1-CE 3.46Å; E125-K656 IonicContact OE1-NZ 3.3Å; E125-K656 PolarHBondContact OE1-NZ 3.36Å; E125-K656 IonicContact OE2-NZ 2.93Å; E125-K656 PolarHBondContact OE2-NZ 3.28Å; F546-K656 HydrophobicContact CD2-CB 4.09Å; F546-K656 HydrophobicContact CE2-CB 4.29Å; F549-K656 HydrophobicContact CD1-CD 4.29Å; F549-K656 HydrophobicContact CD2-CD 3.86Å; F549-K656 HydrophobicContact CE1-CD 4.17Å; F549-K656 HydrophobicContact CE2-CD 3.71Å; F549-K656 HydrophobicContact CG-CD 4.15Å; F549-K656 HydrophobicContact CZ-CD 3.89Å; S652-K656 PolarHBondContact O-NZ 3.05Å; L653-K656 PolarHBondContact O-N 3.06Å; L653-K656 VanDerWaalsContact O-N 3.14Å; A654-K656 PolarHBondContact O-N 3.08Å
657	V	98.7	Very high	98.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-76.4	-37.8	-174	70.1	0	0	0	0	112.3	F546 V566 V568 L646 Y649 L653 A654 A660 T661	F546-V657 HydrophobicContact CE1-CG2 4.02Å; F546-V657 HydrophobicContact CE2-CB 3.81Å; F546-V657 HydrophobicContact CE2-CG2 4.17Å; F546-V657 HydrophobicContact CZ-CB 3.83Å; F546-V657 HydrophobicContact CZ-CG2 3.68Å; V566-V657 HydrophobicContact CG1-CG2 3.83Å; V566-V657 HydrophobicContact CG2-CG2 4.3Å; V568-V657 HydrophobicContact CG2-CG1 4.16Å; L646-V657 HydrophobicContact CD2-CB 4.32Å; L646-V657 HydrophobicContact CD2-CG1 4.44Å; L646-V657 HydrophobicContact CD2-CG2 4.35Å; Y649-V657 HydrophobicContact CE2-CG1 4.48Å; L653-V657 WeakPolarHBondContact O-CG1 3.01Å; L653-V657 PolarHBondContact O-N 2.82Å; A654-V657 PolarHBondContact O-N 2.93Å; V657-A660 PolarHBondContact O-N 3.24Å; V657-A660 VanDerWaalsContact O-N 3.09Å; V657-T661 PolarHBondContact O-N 3.11Å; V657-T661 VanDerWaalsContact O-N 3.16Å; V657-T661 PolarHBondContact O-OG1 2.81Å
658	I	98.9	Very high	98.1	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.5	-47.8	-175.2	-67.6	167.1	0	0	0	112.5	W492 A654 A660 T661 K681 F682 N685	W492-I658 HydrophobicContact CE3-CD1 4.13Å; W492-I658 HydrophobicContact CZ3-CD1 3.85Å; A654-I658 HydrophobicContact CB-CD1 3.93Å; A654-I658 VanDerWaalsContact O-CB 3.3Å; A654-I658 WeakPolarHBondContact O-CB 3.29Å; A654-I658 WeakPolarHBondContact O-CD1 3.39Å; A654-I658 WeakPolarHBondContact O-CG1 3.42Å; A654-I658 PolarHBondContact O-N 2.61Å; I658-A660 PolarHBondContact O-N 2.81Å; I658-T661 PolarHBondContact O-N 3.5Å; I658-K681 HydrophobicContact CD1-CB 3.86Å; I658-K681 HydrophobicContact CD1-CD 3.68Å; I658-K681 HydrophobicContact CD1-CG 4.4Å; I658-K681 HydrophobicContact CG2-CB 4.06Å; I658-F682 HydrophobicContact CB-CD1 4.36Å; I658-F682 HydrophobicContact CB-CE1 4.09Å; I658-F682 HydrophobicContact CG1-CD1 4.24Å; I658-F682 HydrophobicContact CG1-CE1 3.7Å; I658-F682 HydrophobicContact CG1-CE2 4.38Å; I658-F682 HydrophobicContact CG1-CZ 3.78Å; I658-F682 HydrophobicContact CG2-CD1 4Å; I658-F682 HydrophobicContact CG2-CE1 4.24Å; I658-N685 HydrophobicContact CG2-CB 3.9Å
659	P	98.8	Very high	98.2	Very high	4 Å²	4	9.6 Å²	9.6	3%	0.026	4%	0.042	C	C	.	.	H	α-helix	trans	-61.1	-26.5	176.6	-24.8	35.5	0	0	0	114	C496 N497 K539 N542 E655	C496-P659 HydrophobicContact CB-CG 4.12Å; C496-P659 VanDerWaalsContact O-CG 3.3Å; C496-P659 WeakPolarHBondContact O-CG 3.45Å; N497-P659 HydrophobicContact CB-CB 4.08Å; N497-P659 HydrophobicContact CB-CG 4.11Å; K539-P659 PolarHBondContact NZ-O 3.11Å; N542-P659 HydrophobicContact CB-CB 4.2Å; N542-P659 WeakPolarHBondContact CB-O 3.49Å; N542-P659 PolarHBondContact ND2-O 2.97Å; E655-P659 VanDerWaalsContact O-CD 3.29Å; E655-P659 WeakPolarHBondContact O-CD 3.3Å; E655-P659 WeakPolarHBondContact O-CG 3.29Å
660	A	98.8	Very high	98.2	Very high	1 Å²	1	8 Å²	8	1%	0.008	4%	0.036	C	C	.	.	H	α-helix	trans	-89.1	-12.6	-177.4	0	0	0	0	0	114.1	N542 K543 F546 F564 V657 I658	N542-A660 HydrophobicContact CB-CB 4.46Å; K543-A660 HydrophobicContact CG-CB 4.33Å; K543-A660 WeakPolarHBondContact CG-O 3.25Å; F546-A660 HydrophobicContact CB-CB 3.62Å; F546-A660 HydrophobicContact CD1-CB 4.3Å; F546-A660 HydrophobicContact CG-CB 4.01Å; F564-A660 HydrophobicContact CD2-CB 4.2Å; F564-A660 WeakPolarHBondContact CD2-O 3.45Å; F564-A660 HydrophobicContact CE2-CB 4.41Å; V657-A660 PolarHBondContact O-N 3.24Å; V657-A660 VanDerWaalsContact O-N 3.09Å; I658-A660 PolarHBondContact O-N 2.81Å
661	T	98.9	Very high	97.9	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.			trans	-74.5	138.2	-175.2	-66.2	0	0	0	0	112.8	K539 V566 V657 I658 L663 F682 A687	K539-T661 WeakPolarHBondContact CE-O 3.25Å; K539-T661 PolarHBondContact NZ-O 2.69Å; V566-T661 HydrophobicContact CB-CG2 3.77Å; V566-T661 WeakPolarHBondContact CB-OG1 3.07Å; V566-T661 HydrophobicContact CG2-CG2 3.76Å; V566-T661 WeakPolarHBondContact CG2-OG1 3.46Å; V657-T661 PolarHBondContact O-N 3.11Å; V657-T661 VanDerWaalsContact O-N 3.16Å; V657-T661 PolarHBondContact O-OG1 2.81Å; I658-T661 PolarHBondContact O-N 3.5Å; T661-L663 VanDerWaalsContact CG2-C 3.47Å; T661-L663 WeakPolarHBondContact CG2-O 3.3Å; T661-F682 HydrophobicContact CG2-CD1 3.74Å; T661-F682 HydrophobicContact CG2-CE1 3.66Å; T661-F682 VanDerWaalsContact OG1-CE1 3.28Å; T661-F682 WeakPolarHBondContact OG1-CE1 3.44Å; T661-A687 HydrophobicContact CG2-CB 3.83Å; T661-A687 WeakPolarHBondContact O-CB 3.19Å
662	D	98.9	Very high	97.7	Very high	5 Å²	5	6.6 Å²	6.6	3%	0.027	4%	0.039	C	C	.	.	S	Bend	trans	-95.1	-46.7	170.1	-62.7	-54.7	0	0	0	110.7	K543 M563 F564 A687 L688 Y792 W798	K543-D662 VanDerWaalsContact CE-OD2 3.29Å; K543-D662 WeakPolarHBondContact CE-OD2 3.41Å; K543-D662 IonicContact NZ-OD1 2.82Å; K543-D662 IonicContact NZ-OD2 3.86Å; K543-D662 PolarHBondContact NZ-OD2 3.04Å; M563-D662 WeakPolarHBondContact CA-OD2 3.48Å; M563-D662 HydrophobicContact CG-CB 4Å; F564-D662 PolarHBondContact N-OD2 3.16Å; F564-D662 PolarHBondContact O-N 3.13Å; D662-A687 CarbonylContact O-C 3.22Å; D662-A687 WeakPolarHBondContact O-CA 3.39Å; D662-L688 PolarHBondContact O-N 2.93Å; D662-Y792 HydrophobicContact CB-CE2 4.3Å; D662-W798 HydrophobicContact CB-CZ2 3.97Å; D662-W798 WeakPolarHBondContact O-CZ2 3.45Å
663	L	98.9	Very high	97.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.8	-179.1	-173.8	73	0	0	0	110.9	M563 F564 V566 T661 L688 I690 F710 V788	M563-L663 HydrophobicContact SD-CB 4.22Å; M563-L663 HydrophobicContact SD-CD2 4.29Å; F564-L663 PolarHBondContact O-N 2.73Å; V566-L663 PolarHBondContact N-O 3.42Å; T661-L663 VanDerWaalsContact CG2-C 3.47Å; T661-L663 WeakPolarHBondContact CG2-O 3.3Å; L663-L688 CarbonylContact C-O 3.54Å; L663-L688 WeakPolarHBondContact CA-O 3.31Å; L663-I690 HydrophobicContact CD1-CB 4.09Å; L663-I690 HydrophobicContact CD1-CG2 3.87Å; L663-I690 HydrophobicContact CD2-CG2 3.86Å; L663-I690 HydrophobicContact CG-CG2 3.82Å; L663-F710 HydrophobicContact CD1-CD2 4.4Å; L663-V788 HydrophobicContact CD1-CG1 3.8Å; L663-V788 HydrophobicContact CD1-CG2 4.17Å; L663-V788 HydrophobicContact CD2-CG1 3.8Å; L663-V788 HydrophobicContact CG-CG1 4.33Å
664	S	98.9	Very high	97	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125	179.5	146.2	0	0	0	0	111.4	Q666 F682 L688 I690	S664-Q666 PolarHBondContact OG-NE2 3.26Å; S664-F682 VanDerWaalsContact CB-CG 3.41Å; S664-F682 VanDerWaalsContact OG-CD2 3.29Å; S664-F682 WeakPolarHBondContact OG-CD2 3.5Å; S664-L688 PolarHBondContact N-O 2.94Å; S664-I690 PolarHBondContact O-N 3.04Å; S664-I690 VanDerWaalsContact O-N 3.09Å
665	E	98.9	Very high	96.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	106.1	-176.9	-69.4	-68.6	163.3	0	0	112.7	D565 V566 Q567 K569 I667 I690 Y781 Q785	D565-E665 WeakPolarHBondContact OD1-CG 3.39Å; V566-E665 PolarHBondContact O-N 2.93Å; Q567-E665 HydrophobicContact CB-CB 3.6Å; Q567-E665 HydrophobicContact CB-CG 4.07Å; Q567-E665 HydrophobicContact CG-CB 3.68Å; K569-E665 PolarHBondContact NZ-O 3.13Å; E665-I667 WeakPolarHBondContact OE2-CG2 3.34Å; E665-I690 HydrophobicContact CG-CG2 4.37Å; E665-I690 VanDerWaalsContact OE1-CG2 3.3Å; E665-I690 WeakPolarHBondContact OE1-CG2 3.34Å; E665-I690 WeakPolarHBondContact OE2-CG2 3.42Å; E665-Y781 VanDerWaalsContact CD-OH 3.27Å; E665-Y781 PolarHBondContact OE1-OH 2.86Å; E665-Y781 PolarHBondContact OE2-OH 2.64Å; E665-Y781 VanDerWaalsContact OE2-OH 3.11Å; E665-Q785 PolarHBondContact OE1-NE2 3.17Å
666	Q	98.6	Very high	96.2	Very high	12 Å²	12	8.5 Å²	8.5	6%	0.056	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	58.2	-178.4	-52.2	-59.3	-21.2	0	0	111.3	S664 N679 T689 I690 G691 T692 N697	S664-Q666 PolarHBondContact OG-NE2 3.26Å; Q666-N679 HydrophobicContact CG-CB 3.68Å; Q666-T689 HydrophobicContact CB-CG2 4.01Å; Q666-T689 HydrophobicContact CG-CG2 3.75Å; Q666-I690 PolarHBondContact N-O 3.32Å; Q666-G691 WeakPolarHBondContact O-CA 3.49Å; Q666-T692 PolarHBondContact O-N 2.98Å; Q666-N697 WeakPolarHBondContact CB-ND2 3.25Å; Q666-N697 PolarHBondContact O-ND2 3.43Å
667	I	98.7	Very high	96	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.048	C	C	.	.			trans	-103.6	33.4	-162.2	63	173.7	0	0	0	114.5	R576 L579 N580 E665 F712 Y781	R576-I667 HydrophobicContact CB-CG1 4.44Å; R576-I667 PolarHBondContact NE-O 3Å; R576-I667 PolarHBondContact NH2-O 2.75Å; R576-I667 WeakPolarHBondContact O-CD1 3.47Å; L579-I667 HydrophobicContact CB-CD1 4.24Å; L579-I667 HydrophobicContact CD2-CD1 4.38Å; L579-I667 HydrophobicContact CG-CD1 4.41Å; N580-I667 HydrophobicContact CB-CD1 3.96Å; E665-I667 WeakPolarHBondContact OE2-CG2 3.34Å; I667-F712 HydrophobicContact CB-CE1 4.4Å; I667-F712 HydrophobicContact CB-CZ 3.96Å; I667-F712 HydrophobicContact CG2-CE1 3.65Å; I667-F712 HydrophobicContact CG2-CZ 3.63Å; I667-Y781 HydrophobicContact CG2-CE2 4.01Å
668	S	97.9	Very high	95.9	Very high	4 Å²	4	7.8 Å²	7.8	3%	0.028	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-63	156.4	175.3	44.8	0	0	0	0	111.9	Y574 R576 A670 E673 T692 D694	Y574-S668 VanDerWaalsContact O-CA 3.24Å; Y574-S668 WeakPolarHBondContact O-CA 3.44Å; Y574-S668 WeakPolarHBondContact O-CB 3.23Å; R576-S668 PolarHBondContact NH2-O 2.85Å; R576-S668 VanDerWaalsContact NH2-O 3.12Å; S668-A670 PolarHBondContact O-N 3.14Å; S668-E673 WeakPolarHBondContact OG-CB 3.19Å; S668-T692 WeakPolarHBondContact O-CB 3.47Å; S668-T692 VanDerWaalsContact O-CG2 3.28Å; S668-T692 WeakPolarHBondContact O-CG2 3.4Å; S668-T692 PolarHBondContact O-OG1 2.79Å; S668-D694 VanDerWaalsContact CB-OD2 3.32Å; S668-D694 WeakPolarHBondContact CB-OD2 3.37Å; S668-D694 PolarHBondContact OG-OD2 3.24Å
669	T	97.6	Very high	95.8	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.018	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-65	133.2	172.3	-51.6	0	0	0	0	109.1	Y574 R576 G671 T672 D694 V719 F772	Y574-T669 PolarHBondContact O-N 3.35Å; R576-T669 WeakPolarHBondContact CD-OG1 3.34Å; T669-G671 PolarHBondContact O-N 2.89Å; T669-T672 WeakPolarHBondContact O-CB 3.31Å; T669-T672 WeakPolarHBondContact O-CG2 3.34Å; T669-T672 PolarHBondContact O-N 2.95Å; T669-T672 VanDerWaalsContact O-N 3.11Å; T669-T672 PolarHBondContact O-OG1 2.85Å; T669-D694 VanDerWaalsContact O-OD2 3.05Å; T669-V719 HydrophobicContact CG2-CG2 4.19Å; T669-F772 WeakPolarHBondContact OG1-CB 3.39Å; T669-F772 PolarHBondContact OG1-O 2.94Å
670	A	96	Very high	95.8	Very high	4 Å²	4	7.7 Å²	7.7	3%	0.033	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	129.2	-175.6	0	0	0	0	0	112.3	S668 M714 V716 V719	S668-A670 PolarHBondContact O-N 3.14Å; A670-M714 VanDerWaalsContact CB-O 3.28Å; A670-M714 WeakPolarHBondContact CB-O 3.34Å; A670-V716 HydrophobicContact CB-CG2 4.15Å; A670-V719 HydrophobicContact CB-CG2 4.4Å
671	G	91.1	Very high	95.8	Very high	18 Å²	18	8.2 Å²	8.2	19%	0.186	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	11.6	-177.1	0	0	0	0	0	114.6	V380 T669 D694	V380-G671 VanDerWaalsContact CG2-O 3.3Å; V380-G671 WeakPolarHBondContact CG2-O 3.28Å; T669-G671 PolarHBondContact O-N 2.89Å; G671-D694 WeakPolarHBondContact CA-OD1 3.2Å; G671-D694 PolarHBondContact N-OD1 3.37Å
672	T	91.5	Very high	95.8	Very high	18 Å²	18	8.3 Å²	8.3	11%	0.11	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-37.1	-179.5	64.2	0	0	0	0	113.6	Y574 T669 D694 F772	Y574-T672 WeakPolarHBondContact CD2-OG1 3.4Å; T669-T672 WeakPolarHBondContact O-CB 3.31Å; T669-T672 WeakPolarHBondContact O-CG2 3.34Å; T669-T672 PolarHBondContact O-N 2.95Å; T669-T672 VanDerWaalsContact O-N 3.11Å; T669-T672 PolarHBondContact O-OG1 2.85Å; T672-D694 PolarHBondContact N-OD1 2.64Å; T672-F772 HydrophobicContact CG2-CD1 4.27Å; T672-F772 HydrophobicContact CG2-CE1 4.3Å
673	E	90.6	Very high	95.8	Very high	34 Å²	34	8 Å²	8	16%	0.159	6%	0.057	C	C	.	.			trans	-84.7	116.1	174.2	-169.4	86.3	-136.5	0	0	109.7	Y574 K575 S668 S675 D694 G695	Y574-E673 HydrophobicContact CE2-CB 4.49Å; Y574-E673 WeakPolarHBondContact CE2-OE2 3.35Å; K575-E673 IonicContact NZ-OE1 2.8Å; K575-E673 PolarHBondContact NZ-OE1 3.49Å; K575-E673 IonicContact NZ-OE2 3.6Å; K575-E673 PolarHBondContact NZ-OE2 3.25Å; S668-E673 WeakPolarHBondContact OG-CB 3.19Å; E673-S675 PolarHBondContact O-N 3.35Å; E673-D694 WeakPolarHBondContact CB-OD2 2.97Å; E673-D694 PolarHBondContact N-OD2 3.32Å; E673-G695 WeakPolarHBondContact O-CA 2.85Å; E673-G695 PolarHBondContact O-N 2.64Å
674	A	89.3	Confident	95.8	Very high	10 Å²	10	8.1 Å²	8.1	8%	0.083	6%	0.057	C	C	.	.	S	Bend	trans	-60.5	-31.3	179.8	0	0	0	0	0	113.5	H378 V456 A457 H460	H378-A674 WeakPolarHBondContact O-CB 3.37Å; V456-A674 HydrophobicContact CG2-CB 3.7Å; A457-A674 WeakPolarHBondContact CB-O 3.49Å; H460-A674 WeakPolarHBondContact CB-O 3.45Å; H460-A674 VanDerWaalsContact CD2-CA 3.45Å; H460-A674 WeakPolarHBondContact CD2-CA 3.41Å; H460-A674 WeakPolarHBondContact CD2-CB 3.44Å; H460-A674 WeakPolarHBondContact NE2-CB 3.48Å
675	S	91.6	Very high	95.8	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.021	6%	0.058	C	C	.	.			trans	-160.6	-66.2	-179.5	172.7	0	0	0	0	110.6	V456 N485 E673 N679 A696	V456-S675 WeakPolarHBondContact O-CB 3.48Å; V456-S675 PolarHBondContact O-OG 2.98Å; N485-S675 WeakPolarHBondContact ND2-CB 3.23Å; N485-S675 PolarHBondContact ND2-OG 3.48Å; E673-S675 PolarHBondContact O-N 3.35Å; S675-N679 PolarHBondContact O-ND2 2.97Å; S675-A696 VanDerWaalsContact O-CB 3.31Å; S675-A696 WeakPolarHBondContact O-CB 3.31Å; S675-A696 PolarHBondContact O-N 3.26Å
676	G	88.4	Confident	95.8	Very high	16 Å²	16	8.3 Å²	8.3	17%	0.165	6%	0.059	C	C	.	.			trans	80.9	131.6	-166.7	0	0	0	0	0	111.3	N679	G676-N679 PolarHBondContact O-OD1 2.95Å
677	T	94.5	Very high	95.8	Very high	13 Å²	13	7.7 Å²	7.7	8%	0.08	6%	0.056	C	C	.	.	S	Bend	trans	-117.6	-8.7	174.7	54.5	0	0	0	0	112.6	L140 N485 N679 M680 K681	L140-T677 HydrophobicContact CD1-CG2 4.34Å; N485-T677 HydrophobicContact CB-CG2 3.96Å; T677-N679 WeakPolarHBondContact CA-OD1 3.31Å; T677-N679 PolarHBondContact N-OD1 2.98Å; T677-M680 HydrophobicContact CG2-SD 4.42Å; T677-K681 WeakPolarHBondContact O-CG 3.38Å
678	G	96.8	Very high	95.8	Very high	18 Å²	18	7.7 Å²	7.7	19%	0.186	6%	0.056	C	C	.	.	H	α-helix	trans	-67.5	-44.2	172.8	0	0	0	0	0	111.6	M680 K681 F682	G678-M680 VanDerWaalsContact C-N 3.33Å; G678-M680 PolarHBondContact O-N 3.02Å; G678-K681 WeakPolarHBondContact O-CB 3.42Å; G678-K681 PolarHBondContact O-N 2.77Å; G678-F682 WeakPolarHBondContact O-CD2 3.07Å; G678-F682 PolarHBondContact O-N 2.7Å; G678-F682 VanDerWaalsContact O-N 3.09Å
679	N	98	Very high	95.9	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-50.6	-47.2	174.6	55.9	-6.1	0	0	0	112.8	Q666 S675 G676 T677 K681 F682 M683 N697 M700	Q666-N679 HydrophobicContact CG-CB 3.68Å; S675-N679 PolarHBondContact O-ND2 2.97Å; G676-N679 PolarHBondContact O-OD1 2.95Å; T677-N679 WeakPolarHBondContact CA-OD1 3.31Å; T677-N679 PolarHBondContact N-OD1 2.98Å; N679-K681 VanDerWaalsContact C-N 3.31Å; N679-K681 PolarHBondContact O-N 3.23Å; N679-F682 PolarHBondContact O-N 3.15Å; N679-M683 PolarHBondContact O-N 2.71Å; N679-N697 PolarHBondContact ND2-OD1 2.88Å; N679-M700 HydrophobicContact CB-CE 3.96Å; N679-M700 HydrophobicContact CB-SD 3.55Å; N679-M700 VanDerWaalsContact CB-SD 3.55Å; N679-M700 VanDerWaalsContact CG-SD 3.56Å
680	M	98.7	Very high	95.9	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-60.8	-38.5	177.2	-59.9	171.1	-175.5	0	0	112.2	N485 I487 T677 G678 L684 A696 F812	N485-M680 HydrophobicContact CB-CE 4.1Å; I487-M680 HydrophobicContact CD1-CB 3.91Å; I487-M680 HydrophobicContact CG1-CB 4.17Å; I487-M680 HydrophobicContact CG2-CB 4.27Å; I487-M680 HydrophobicContact CG2-SD 4.47Å; T677-M680 HydrophobicContact CG2-SD 4.42Å; G678-M680 VanDerWaalsContact C-N 3.33Å; G678-M680 PolarHBondContact O-N 3.02Å; M680-L684 WeakPolarHBondContact O-CB 3.45Å; M680-L684 PolarHBondContact O-N 3.18Å; M680-A696 HydrophobicContact CE-CB 3.5Å; M680-A696 VanDerWaalsContact CE-CB 3.5Å; M680-F812 HydrophobicContact CB-CB 4.01Å; M680-F812 HydrophobicContact CB-CG 4.45Å; M680-F812 HydrophobicContact CE-CD1 3.84Å; M680-F812 HydrophobicContact CE-CE1 4.5Å; M680-F812 HydrophobicContact CG-CB 3.82Å; M680-F812 HydrophobicContact CG-CD1 3.98Å; M680-F812 HydrophobicContact CG-CG 3.9Å; M680-F812 HydrophobicContact SD-CB 3.95Å; M680-F812 HydrophobicContact SD-CD1 4.1Å; M680-F812 HydrophobicContact SD-CG 4.33Å
681	K	98.8	Very high	96	Very high	12 Å²	12	7.2 Å²	7.2	5%	0.052	5%	0.052	C	C	.	.	H	α-helix	trans	-69.1	-41.5	-179.7	-58.9	166.3	-170.1	-174.2	0	111.1	I487 W492 I658 T677 G678 N679 N685	I487-K681 HydrophobicContact CB-CG 4.48Å; I487-K681 VanDerWaalsContact CD1-CA 3.46Å; I487-K681 HydrophobicContact CD1-CB 4.03Å; I487-K681 HydrophobicContact CD1-CG 3.55Å; I487-K681 HydrophobicContact CG2-CG 4Å; W492-K681 HydrophobicContact CB-CG 4.29Å; W492-K681 HydrophobicContact CD2-CD 3.66Å; W492-K681 HydrophobicContact CD2-CG 3.89Å; W492-K681 VanDerWaalsContact CE2-CE 3.45Å; W492-K681 HydrophobicContact CE3-CD 3.71Å; W492-K681 HydrophobicContact CE3-CG 4.14Å; W492-K681 HydrophobicContact CG-CD 4.24Å; W492-K681 HydrophobicContact CG-CG 3.95Å; W492-K681 HydrophobicContact CH2-CD 4.19Å; W492-K681 HydrophobicContact CZ2-CD 4.14Å; W492-K681 HydrophobicContact CZ3-CD 3.98Å; I658-K681 HydrophobicContact CD1-CB 3.86Å; I658-K681 HydrophobicContact CD1-CD 3.68Å; I658-K681 HydrophobicContact CD1-CG 4.4Å; I658-K681 HydrophobicContact CG2-CB 4.06Å; T677-K681 WeakPolarHBondContact O-CG 3.38Å; G678-K681 WeakPolarHBondContact O-CB 3.42Å; G678-K681 PolarHBondContact O-N 2.77Å; N679-K681 VanDerWaalsContact C-N 3.31Å; N679-K681 PolarHBondContact O-N 3.23Å; K681-N685 WeakPolarHBondContact O-CB 3.33Å; K681-N685 PolarHBondContact O-N 3.2Å; K681-N685 VanDerWaalsContact O-N 3.14Å; K681-N685 PolarHBondContact O-ND2 3.15Å
682	F	98.9	Very high	96.4	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.009	4%	0.043	C	C	.	.	H	α-helix	trans	-63.8	-46.4	176.5	-77.2	-63.2	0	0	0	111.7	V566 V568 I658 T661 S664 G678 N679 L684 N685 G686 A687	V566-F682 HydrophobicContact CG1-CZ 4.18Å; V568-F682 HydrophobicContact CG2-CE2 4.16Å; V568-F682 HydrophobicContact CG2-CZ 3.73Å; I658-F682 HydrophobicContact CB-CD1 4.36Å; I658-F682 HydrophobicContact CB-CE1 4.09Å; I658-F682 HydrophobicContact CG1-CD1 4.24Å; I658-F682 HydrophobicContact CG1-CE1 3.7Å; I658-F682 HydrophobicContact CG1-CE2 4.38Å; I658-F682 HydrophobicContact CG1-CZ 3.78Å; I658-F682 HydrophobicContact CG2-CD1 4Å; I658-F682 HydrophobicContact CG2-CE1 4.24Å; T661-F682 HydrophobicContact CG2-CD1 3.74Å; T661-F682 HydrophobicContact CG2-CE1 3.66Å; T661-F682 VanDerWaalsContact OG1-CE1 3.28Å; T661-F682 WeakPolarHBondContact OG1-CE1 3.44Å; S664-F682 VanDerWaalsContact CB-CG 3.41Å; S664-F682 VanDerWaalsContact OG-CD2 3.29Å; S664-F682 WeakPolarHBondContact OG-CD2 3.5Å; G678-F682 WeakPolarHBondContact O-CD2 3.07Å; G678-F682 PolarHBondContact O-N 2.7Å; G678-F682 VanDerWaalsContact O-N 3.09Å; N679-F682 PolarHBondContact O-N 3.15Å; F682-L684 PolarHBondContact O-N 3.23Å; F682-N685 CarbonylContact O-C 3.48Å; F682-N685 PolarHBondContact O-N 3.11Å; F682-N685 VanDerWaalsContact O-N 3.15Å; F682-G686 PolarHBondContact O-N 3.03Å; F682-A687 HydrophobicContact CB-CB 3.98Å; F682-A687 HydrophobicContact CD1-CB 4.06Å; F682-A687 HydrophobicContact CG-CB 4.47Å; F682-A687 PolarHBondContact O-N 3.33Å
683	M	98.9	Very high	96.7	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-56.7	-49.2	176.2	-173.2	-177	-176.2	0	0	111.8	N679 N685 G686 M700 A704 N805 A808 F812	N679-M683 PolarHBondContact O-N 2.71Å; M683-N685 PolarHBondContact O-N 3.12Å; M683-G686 PolarHBondContact O-N 3.23Å; M683-M700 HydrophobicContact CB-CE 3.97Å; M683-M700 HydrophobicContact CG-CE 4.37Å; M683-M700 HydrophobicContact SD-CB 4.09Å; M683-M700 HydrophobicContact SD-CE 3.95Å; M683-M700 HydrophobicContact SD-CG 3.79Å; M683-M700 HydrophobicContact SD-SD 4.48Å; M683-A704 HydrophobicContact CE-CB 3.88Å; M683-N805 VanDerWaalsContact CE-O 3.23Å; M683-N805 WeakPolarHBondContact CE-O 3.09Å; M683-N805 HydrophobicContact CG-CB 4.14Å; M683-A808 HydrophobicContact CE-CB 3.78Å; M683-F812 HydrophobicContact CE-CE2 4.13Å; M683-F812 HydrophobicContact SD-CD2 3.91Å; M683-F812 HydrophobicContact SD-CE2 3.67Å
684	L	98.8	Very high	96.8	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.01	4%	0.035	C	C	.	.	H	α-helix	trans	-62.4	-29.6	178.8	-176.7	61.5	0	0	0	113.2	I487 L493 L516 L519 M680 F682 S809	I487-L684 HydrophobicContact CD1-CD2 4.08Å; L493-L684 HydrophobicContact CB-CD2 3.88Å; L493-L684 HydrophobicContact CB-CG 4.15Å; L493-L684 HydrophobicContact CD2-CD1 3.91Å; L493-L684 HydrophobicContact CD2-CD2 4.48Å; L493-L684 HydrophobicContact CD2-CG 4.19Å; L516-L684 HydrophobicContact CD1-CD1 4.28Å; L516-L684 HydrophobicContact CD2-CD1 4.2Å; L516-L684 HydrophobicContact CD2-CD2 4.48Å; L519-L684 HydrophobicContact CD1-CD1 3.66Å; M680-L684 WeakPolarHBondContact O-CB 3.45Å; M680-L684 PolarHBondContact O-N 3.18Å; F682-L684 PolarHBondContact O-N 3.23Å; L684-S809 VanDerWaalsContact CD1-OG 3.23Å; L684-S809 WeakPolarHBondContact CD1-OG 3.43Å
685	N	98.9	Very high	97	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	12.2	-179.8	-77.7	-85.3	0	0	0	113.8	W492 N497 K539 I658 K681 F682 M683	W492-N685 PolarHBondContact O-ND2 3.04Å; N497-N685 WeakPolarHBondContact CB-OD1 3.3Å; N497-N685 PolarHBondContact ND2-OD1 3.29Å; K539-N685 PolarHBondContact NZ-O 3Å; I658-N685 HydrophobicContact CG2-CB 3.9Å; K681-N685 WeakPolarHBondContact O-CB 3.33Å; K681-N685 PolarHBondContact O-N 3.2Å; K681-N685 VanDerWaalsContact O-N 3.14Å; K681-N685 PolarHBondContact O-ND2 3.15Å; F682-N685 CarbonylContact O-C 3.48Å; F682-N685 PolarHBondContact O-N 3.11Å; F682-N685 VanDerWaalsContact O-N 3.15Å; M683-N685 PolarHBondContact O-N 3.12Å
686	G	98.4	Very high	97.2	Very high	2 Å²	2	4 Å²	4	2%	0.021	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	34	174.8	0	0	0	0	0	114.6	F682 M683 V802	F682-G686 PolarHBondContact O-N 3.03Å; M683-G686 PolarHBondContact O-N 3.23Å; G686-V802 VanDerWaalsContact CA-CG1 3.49Å; G686-V802 WeakPolarHBondContact O-CG1 3.49Å
687	A	98.8	Very high	97.7	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.023	C	C	.	.			trans	-94.8	140.2	162.9	0	0	0	0	0	109.7	T661 D662 F682	T661-A687 HydrophobicContact CG2-CB 3.83Å; T661-A687 WeakPolarHBondContact O-CB 3.19Å; D662-A687 CarbonylContact O-C 3.22Å; D662-A687 WeakPolarHBondContact O-CA 3.39Å; F682-A687 HydrophobicContact CB-CB 3.98Å; F682-A687 HydrophobicContact CD1-CB 4.06Å; F682-A687 HydrophobicContact CG-CB 4.47Å; F682-A687 PolarHBondContact O-N 3.33Å
688	L	98.9	Very high	97.8	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	151.5	170.6	-62.1	-174	0	0	0	110.1	D662 L663 S664 F710 L791 W798 M801 V802	D662-L688 PolarHBondContact O-N 2.93Å; L663-L688 CarbonylContact C-O 3.54Å; L663-L688 WeakPolarHBondContact CA-O 3.31Å; S664-L688 PolarHBondContact N-O 2.94Å; L688-F710 HydrophobicContact CB-CD2 4.47Å; L688-F710 HydrophobicContact CB-CE2 4.24Å; L688-F710 HydrophobicContact CD1-CE2 3.87Å; L688-L791 HydrophobicContact CD1-CD2 4.16Å; L688-W798 HydrophobicContact CB-CH2 4.2Å; L688-W798 HydrophobicContact CB-CZ2 4.24Å; L688-W798 HydrophobicContact CD1-CD2 3.77Å; L688-W798 HydrophobicContact CD1-CE3 3.7Å; L688-W798 HydrophobicContact CD1-CH2 3.75Å; L688-W798 HydrophobicContact CD1-CZ2 3.79Å; L688-W798 HydrophobicContact CD1-CZ3 3.7Å; L688-W798 HydrophobicContact CG-CH2 4.22Å; L688-W798 HydrophobicContact CG-CZ2 3.97Å; L688-M801 HydrophobicContact CD1-CB 4.22Å; L688-M801 HydrophobicContact CD1-CG 4.08Å; L688-M801 HydrophobicContact CD1-SD 3.67Å; L688-M801 HydrophobicContact CD2-CB 4.16Å; L688-M801 HydrophobicContact CD2-CG 3.73Å; L688-M801 HydrophobicContact CD2-SD 4.17Å; L688-V802 HydrophobicContact CD1-CG2 4.45Å; L688-V802 HydrophobicContact CD2-CG2 3.88Å; L688-V802 HydrophobicContact CG-CG2 3.92Å
689	T	98.9	Very high	97.8	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.4	-176.9	-62.3	0	0	0	0	110.5	Q666 M700 F710	Q666-T689 HydrophobicContact CB-CG2 4.01Å; Q666-T689 HydrophobicContact CG-CG2 3.75Å; T689-M700 HydrophobicContact CG2-CE 4.41Å; T689-F710 WeakPolarHBondContact O-CB 3.43Å; T689-F710 PolarHBondContact O-N 3.33Å
690	I	98.9	Very high	97.9	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.4	160.1	-177.9	170.3	0	0	0	108.1	L663 S664 E665 Q666 F710 F712 Y781 C784 Q785 V788	L663-I690 HydrophobicContact CD1-CB 4.09Å; L663-I690 HydrophobicContact CD1-CG2 3.87Å; L663-I690 HydrophobicContact CD2-CG2 3.86Å; L663-I690 HydrophobicContact CG-CG2 3.82Å; S664-I690 PolarHBondContact O-N 3.04Å; S664-I690 VanDerWaalsContact O-N 3.09Å; E665-I690 HydrophobicContact CG-CG2 4.37Å; E665-I690 VanDerWaalsContact OE1-CG2 3.3Å; E665-I690 WeakPolarHBondContact OE1-CG2 3.34Å; E665-I690 WeakPolarHBondContact OE2-CG2 3.42Å; Q666-I690 PolarHBondContact N-O 3.32Å; I690-F710 WeakPolarHBondContact CA-O 3.44Å; I690-F710 HydrophobicContact CB-CB 3.92Å; I690-F710 HydrophobicContact CG1-CB 4.07Å; I690-F712 HydrophobicContact CD1-CD1 4.37Å; I690-F712 HydrophobicContact CD1-CE1 4.43Å; I690-F712 HydrophobicContact CG1-CD1 3.83Å; I690-F712 HydrophobicContact CG1-CE1 3.84Å; I690-Y781 HydrophobicContact CD1-CD2 3.96Å; I690-Y781 HydrophobicContact CD1-CE2 3.73Å; I690-Y781 HydrophobicContact CG1-CE2 4.33Å; I690-C784 HydrophobicContact CD1-CB 4.13Å; I690-Q785 VanDerWaalsContact CD1-CD 3.5Å; I690-Q785 HydrophobicContact CD1-CG 3.72Å; I690-V788 HydrophobicContact CD1-CG2 4.27Å
691	G	98.4	Very high	97.8	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	168.6	-171.5	0	0	0	0	0	114.6	Q666 F710 I711 F712	Q666-G691 WeakPolarHBondContact O-CA 3.49Å; G691-F710 PolarHBondContact N-O 3.15Å; G691-F710 VanDerWaalsContact N-O 3.1Å; G691-I711 WeakPolarHBondContact O-CA 3.38Å; G691-F712 WeakPolarHBondContact O-CD1 3.38Å; G691-F712 PolarHBondContact O-N 3.26Å; G691-F712 VanDerWaalsContact O-N 3.1Å
692	T	98.4	Very high	97.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.			trans	-85.4	164	169.8	49.9	0	0	0	0	110.6	Q666 S668 D694 N697 F712	Q666-T692 PolarHBondContact O-N 2.98Å; S668-T692 WeakPolarHBondContact O-CB 3.47Å; S668-T692 VanDerWaalsContact O-CG2 3.28Å; S668-T692 WeakPolarHBondContact O-CG2 3.4Å; S668-T692 PolarHBondContact O-OG1 2.79Å; T692-D694 PolarHBondContact O-N 3.04Å; T692-N697 WeakPolarHBondContact O-CB 3.29Å; T692-N697 PolarHBondContact O-ND2 2.85Å; T692-F712 HydrophobicContact CG2-CE2 4.3Å; T692-F712 HydrophobicContact CG2-CZ 4.18Å
693	M	97	Very high	97.7	Very high	14 Å²	14	12.4 Å²	12.4	7%	0.069	6%	0.061	C	C	.	.	S	Bend	trans	-76.3	70	169.6	-69.6	-64	-89.5	0	0	110.4	V698 A701 I711 R715	M693-V698 HydrophobicContact CB-CG2 4.19Å; M693-V698 HydrophobicContact CE-CB 4.49Å; M693-V698 HydrophobicContact CE-CG1 4.13Å; M693-V698 HydrophobicContact CE-CG2 4.35Å; M693-V698 HydrophobicContact SD-CG2 4.4Å; M693-A701 HydrophobicContact SD-CB 4.47Å; M693-I711 HydrophobicContact CG-CG2 3.54Å; M693-I711 HydrophobicContact SD-CD1 3.98Å; M693-I711 HydrophobicContact SD-CG1 4.14Å; M693-I711 HydrophobicContact SD-CG2 3.89Å; M693-R715 HydrophobicContact CB-CG 4.42Å
694	D	94.4	Very high	97.7	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	6%	0.064	C	C	.	.			trans	-132.3	148.9	-176.4	-164.1	26.3	0	0	0	111.6	S668 T669 G671 T672 E673 T692 A696 N697	S668-D694 VanDerWaalsContact CB-OD2 3.32Å; S668-D694 WeakPolarHBondContact CB-OD2 3.37Å; S668-D694 PolarHBondContact OG-OD2 3.24Å; T669-D694 VanDerWaalsContact O-OD2 3.05Å; G671-D694 WeakPolarHBondContact CA-OD1 3.2Å; G671-D694 PolarHBondContact N-OD1 3.37Å; T672-D694 PolarHBondContact N-OD1 2.64Å; E673-D694 WeakPolarHBondContact CB-OD2 2.97Å; E673-D694 PolarHBondContact N-OD2 3.32Å; T692-D694 PolarHBondContact O-N 3.04Å; D694-A696 PolarHBondContact O-N 3.48Å; D694-N697 VanDerWaalsContact O-CB 3.24Å; D694-N697 WeakPolarHBondContact O-CB 3.26Å; D694-N697 PolarHBondContact O-N 3.41Å
695	G	93.6	Very high	97.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	-130.3	179.3	0	0	0	0	0	114	I459 E673 N697	I459-G695 WeakPolarHBondContact CG2-O 3.36Å; E673-G695 WeakPolarHBondContact O-CA 2.85Å; E673-G695 PolarHBondContact O-N 2.64Å; G695-N697 VanDerWaalsContact C-N 3.29Å; G695-N697 PolarHBondContact O-N 3.36Å
696	A	95.6	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-79.3	-5.9	-179.6	0	0	0	0	0	113.7	S675 M680 D694 V698 E699 M700	S675-A696 VanDerWaalsContact O-CB 3.31Å; S675-A696 WeakPolarHBondContact O-CB 3.31Å; S675-A696 PolarHBondContact O-N 3.26Å; M680-A696 HydrophobicContact CE-CB 3.5Å; M680-A696 VanDerWaalsContact CE-CB 3.5Å; D694-A696 PolarHBondContact O-N 3.48Å; A696-V698 PolarHBondContact O-N 3.21Å; A696-E699 PolarHBondContact O-N 3.37Å; A696-M700 VanDerWaalsContact O-CG 3.25Å; A696-M700 WeakPolarHBondContact O-CG 3.14Å; A696-M700 PolarHBondContact O-N 3.5Å
697	N	97.6	Very high	97.4	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.027	12%	0.124	C	C	.	.	H	α-helix	trans	-62.7	-33	173.8	-62.6	-10.2	0	0	0	111.1	Q666 N679 T692 D694 G695 M700 A701	Q666-N697 WeakPolarHBondContact CB-ND2 3.25Å; Q666-N697 PolarHBondContact O-ND2 3.43Å; N679-N697 PolarHBondContact ND2-OD1 2.88Å; T692-N697 WeakPolarHBondContact O-CB 3.29Å; T692-N697 PolarHBondContact O-ND2 2.85Å; D694-N697 VanDerWaalsContact O-CB 3.24Å; D694-N697 WeakPolarHBondContact O-CB 3.26Å; D694-N697 PolarHBondContact O-N 3.41Å; G695-N697 VanDerWaalsContact C-N 3.29Å; G695-N697 PolarHBondContact O-N 3.36Å; N697-M700 PolarHBondContact O-N 3.35Å; N697-A701 WeakPolarHBondContact O-CB 3.25Å; N697-A701 PolarHBondContact O-N 3.25Å
698	V	97.1	Very high	97.3	Very high	22 Å²	22	24.8 Å²	24.8	13%	0.133	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-53.6	175.7	-178.9	0	0	0	0	110	I459 M693 A696 M700 A701 E702	I459-V698 HydrophobicContact CD1-CG2 4.27Å; M693-V698 HydrophobicContact CB-CG2 4.19Å; M693-V698 HydrophobicContact CE-CB 4.49Å; M693-V698 HydrophobicContact CE-CG1 4.13Å; M693-V698 HydrophobicContact CE-CG2 4.35Å; M693-V698 HydrophobicContact SD-CG2 4.4Å; A696-V698 PolarHBondContact O-N 3.21Å; V698-M700 VanDerWaalsContact C-N 3.3Å; V698-M700 PolarHBondContact O-N 3.46Å; V698-A701 PolarHBondContact O-N 3.43Å; V698-E702 WeakPolarHBondContact O-CG 3.49Å; V698-E702 PolarHBondContact O-N 3.2Å
699	E	97.9	Very high	97.3	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.033	13%	0.128	C	C	.	.	H	α-helix	trans	-66.2	-33	179.8	-64.7	174.8	75.7	0	0	111.6	A457 K458 T484 A696 E702 E703 K811 F812	A457-E699 WeakPolarHBondContact CA-OE2 3.45Å; A457-E699 WeakPolarHBondContact CB-OE2 3.38Å; K458-E699 HydrophobicContact CB-CG 4.46Å; K458-E699 PolarHBondContact N-OE2 3.16Å; T484-E699 WeakPolarHBondContact CB-OE1 2.89Å; T484-E699 WeakPolarHBondContact CG2-OE1 3.13Å; T484-E699 WeakPolarHBondContact CG2-OE2 3.42Å; T484-E699 PolarHBondContact OG1-OE1 2.9Å; T484-E699 PolarHBondContact OG1-OE2 3.3Å; A696-E699 PolarHBondContact O-N 3.37Å; E699-E702 PolarHBondContact O-N 2.86Å; E699-E703 WeakPolarHBondContact O-CG 2.93Å; E699-E703 PolarHBondContact O-N 3.26Å; E699-K811 IonicContact OE1-NZ 3.7Å; E699-F812 HydrophobicContact CB-CE1 4.1Å; E699-F812 HydrophobicContact CB-CZ 4.3Å
700	M	98.5	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65	-40.9	173.5	-71.7	168.4	50.1	0	0	112.2	N679 M683 T689 A696 N697 V698 E702 E703 A704 L709 F812	N679-M700 HydrophobicContact CB-CE 3.96Å; N679-M700 HydrophobicContact CB-SD 3.55Å; N679-M700 VanDerWaalsContact CB-SD 3.55Å; N679-M700 VanDerWaalsContact CG-SD 3.56Å; M683-M700 HydrophobicContact CB-CE 3.97Å; M683-M700 HydrophobicContact CG-CE 4.37Å; M683-M700 HydrophobicContact SD-CB 4.09Å; M683-M700 HydrophobicContact SD-CE 3.95Å; M683-M700 HydrophobicContact SD-CG 3.79Å; M683-M700 HydrophobicContact SD-SD 4.48Å; T689-M700 HydrophobicContact CG2-CE 4.41Å; A696-M700 VanDerWaalsContact O-CG 3.25Å; A696-M700 WeakPolarHBondContact O-CG 3.14Å; A696-M700 PolarHBondContact O-N 3.5Å; N697-M700 PolarHBondContact O-N 3.35Å; V698-M700 VanDerWaalsContact C-N 3.3Å; V698-M700 PolarHBondContact O-N 3.46Å; M700-E702 VanDerWaalsContact C-N 3.35Å; M700-E703 PolarHBondContact O-N 3.31Å; M700-A704 WeakPolarHBondContact O-CB 3.27Å; M700-A704 PolarHBondContact O-N 2.95Å; M700-L709 HydrophobicContact CB-CD2 4.19Å; M700-F812 HydrophobicContact CB-CE2 4.37Å; M700-F812 HydrophobicContact CB-CZ 4.15Å; M700-F812 HydrophobicContact CG-CD2 4.38Å; M700-F812 HydrophobicContact CG-CE1 4.07Å; M700-F812 HydrophobicContact CG-CE2 3.69Å; M700-F812 HydrophobicContact CG-CZ 3.52Å
701	A	97.5	Very high	97.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-67.2	-36.8	176	0	0	0	0	0	111.7	M693 N697 V698 G705 E706 L709	M693-A701 HydrophobicContact SD-CB 4.47Å; N697-A701 WeakPolarHBondContact O-CB 3.25Å; N697-A701 PolarHBondContact O-N 3.25Å; V698-A701 PolarHBondContact O-N 3.43Å; A701-G705 CarbonylContact O-C 3.5Å; A701-G705 WeakPolarHBondContact O-CA 3.45Å; A701-G705 PolarHBondContact O-N 3.32Å; A701-E706 HydrophobicContact CB-CG 4.16Å; A701-E706 PolarHBondContact O-N 3.32Å; A701-L709 HydrophobicContact CB-CD2 4.04Å
702	E	97.6	Very high	97.3	Very high	120 Å²	120	29 Å²	29	56%	0.561	15%	0.146	S	C	*	.	H	α-helix	trans	-62.5	-45.9	173.9	-71.5	169.3	-177.6	0	0	112.1	V698 E699 M700	V698-E702 WeakPolarHBondContact O-CG 3.49Å; V698-E702 PolarHBondContact O-N 3.2Å; E699-E702 PolarHBondContact O-N 2.86Å; M700-E702 VanDerWaalsContact C-N 3.35Å
703	E	98.2	Very high	97.3	Very high	83 Å²	83	30.4 Å²	30.4	39%	0.388	16%	0.16	S	C	.	.	H	α-helix	trans	-72.3	-41.8	-178.7	-63.5	-60.4	132.4	0	0	112.7	E699 M700 A808 K811 F812	E699-E703 WeakPolarHBondContact O-CG 2.93Å; E699-E703 PolarHBondContact O-N 3.26Å; M700-E703 PolarHBondContact O-N 3.31Å; E703-A808 HydrophobicContact CB-CB 4.12Å; E703-A808 WeakPolarHBondContact O-CB 3.33Å; E703-K811 HydrophobicContact CG-CB 4.17Å; E703-K811 HydrophobicContact CG-CD 3.61Å; E703-K811 WeakPolarHBondContact OE1-CD 3.37Å; E703-K811 IonicContact OE1-NZ 3.65Å; E703-K811 PolarHBondContact OE1-NZ 2.64Å; E703-F812 HydrophobicContact CB-CE2 4.47Å; E703-F812 HydrophobicContact CG-CE2 4.2Å; E703-F812 HydrophobicContact CG-CZ 4.01Å
704	A	97.4	Very high	97.3	Very high	10 Å²	10	30.8 Å²	30.8	8%	0.083	16%	0.162	C	C	.	.	H	α-helix	trans	-85	-16.7	-176.6	0	0	0	0	0	113.6	M683 M700 N708 L709 A808	M683-A704 HydrophobicContact CE-CB 3.88Å; M700-A704 WeakPolarHBondContact O-CB 3.27Å; M700-A704 PolarHBondContact O-N 2.95Å; A704-N708 PolarHBondContact O-ND2 3.15Å; A704-L709 HydrophobicContact CB-CD1 3.65Å; A704-A808 HydrophobicContact CB-CB 3.95Å
705	G	97.6	Very high	97.4	Very high	20 Å²	20	36.1 Å²	36.1	21%	0.206	18%	0.182	C	C	.	.			trans	84	130.6	-163.4	0	0	0	0	0	111.3	A701 E707 N708	A701-G705 CarbonylContact O-C 3.5Å; A701-G705 WeakPolarHBondContact O-CA 3.45Å; A701-G705 PolarHBondContact O-N 3.32Å; G705-E707 PolarHBondContact O-N 2.68Å; G705-E707 VanDerWaalsContact O-N 3.11Å; G705-N708 PolarHBondContact O-N 2.92Å
706	E	95.9	Very high	97.4	Very high	104 Å²	104	37.3 Å²	37.3	49%	0.486	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-56.6	-30.2	-176.9	-69	-163.3	179.3	0	0	112.3	A701 N708 L709 R715	A701-E706 HydrophobicContact CB-CG 4.16Å; A701-E706 PolarHBondContact O-N 3.32Å; E706-N708 PolarHBondContact O-N 2.88Å; E706-L709 PolarHBondContact O-N 2.99Å; E706-L709 VanDerWaalsContact O-O 3.07Å; E706-R715 IonicContact OE1-NH2 3.91Å
707	E	96.4	Very high	97.4	Very high	125 Å²	125	43.2 Å²	43.2	58%	0.584	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-68.2	-12.8	178.5	79.2	-73.2	174.5	0	0	114	G705 M801 K804	G705-E707 PolarHBondContact O-N 2.68Å; G705-E707 VanDerWaalsContact O-N 3.11Å; E707-M801 VanDerWaalsContact O-CE 3.29Å; E707-M801 WeakPolarHBondContact O-CE 3.25Å; E707-K804 IonicContact OE1-NZ 3.8Å
708	N	98.1	Very high	97.4	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-102.4	7	179.4	-54.6	-62.5	0	0	0	112.8	A704 G705 E706 M801 K804 N805	A704-N708 PolarHBondContact O-ND2 3.15Å; G705-N708 PolarHBondContact O-N 2.92Å; E706-N708 PolarHBondContact O-N 2.88Å; N708-M801 HydrophobicContact CB-CG 3.8Å; N708-K804 VanDerWaalsContact CG-CD 3.5Å; N708-K804 WeakPolarHBondContact ND2-CD 3.36Å; N708-K804 VanDerWaalsContact OD1-CD 3.22Å; N708-K804 WeakPolarHBondContact OD1-CD 3.49Å; N708-K804 PolarHBondContact OD1-NZ 2.78Å; N708-K804 VanDerWaalsContact OD1-NZ 3.11Å; N708-N805 PolarHBondContact O-ND2 2.73Å
709	L	98	Very high	97.3	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.058	24%	0.238	C	C	.	.	S	Bend	trans	-124.3	154.9	169.7	-82.3	76.7	0	0	0	110.7	M700 A701 A704 E706 I711	M700-L709 HydrophobicContact CB-CD2 4.19Å; A701-L709 HydrophobicContact CB-CD2 4.04Å; A704-L709 HydrophobicContact CB-CD1 3.65Å; E706-L709 PolarHBondContact O-N 2.99Å; E706-L709 VanDerWaalsContact O-O 3.07Å; L709-I711 HydrophobicContact CB-CD1 4.04Å; L709-I711 HydrophobicContact CB-CG1 4.13Å; L709-I711 HydrophobicContact CD2-CD1 4.19Å; L709-I711 PolarHBondContact O-N 2.91Å
710	F	98.8	Very high	97.1	Very high	20 Å²	20	47.6 Å²	47.6	9%	0.088	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	75.5	176.6	-66.8	-76.1	0	0	0	110.6	L663 L688 T689 I690 G691 K787 V788 L791 W798 M801	L663-F710 HydrophobicContact CD1-CD2 4.4Å; L688-F710 HydrophobicContact CB-CD2 4.47Å; L688-F710 HydrophobicContact CB-CE2 4.24Å; L688-F710 HydrophobicContact CD1-CE2 3.87Å; T689-F710 WeakPolarHBondContact O-CB 3.43Å; T689-F710 PolarHBondContact O-N 3.33Å; I690-F710 WeakPolarHBondContact CA-O 3.44Å; I690-F710 HydrophobicContact CB-CB 3.92Å; I690-F710 HydrophobicContact CG1-CB 4.07Å; G691-F710 PolarHBondContact N-O 3.15Å; G691-F710 VanDerWaalsContact N-O 3.1Å; F710-K787 HydrophobicContact CD1-CB 4.47Å; F710-K787 HydrophobicContact CE1-CB 4.29Å; F710-V788 HydrophobicContact CB-CG2 4.03Å; F710-V788 HydrophobicContact CD1-CG2 3.63Å; F710-V788 HydrophobicContact CD2-CG2 3.65Å; F710-V788 HydrophobicContact CE1-CB 4.42Å; F710-V788 HydrophobicContact CE1-CG2 3.88Å; F710-V788 HydrophobicContact CE2-CB 4.45Å; F710-V788 HydrophobicContact CE2-CG1 4.46Å; F710-V788 HydrophobicContact CE2-CG2 3.87Å; F710-V788 HydrophobicContact CG-CG2 3.49Å; F710-V788 VanDerWaalsContact CG-CG2 3.49Å; F710-V788 HydrophobicContact CZ-CB 4.32Å; F710-V788 HydrophobicContact CZ-CG2 3.97Å; F710-L791 HydrophobicContact CE2-CD2 4.28Å; F710-L791 HydrophobicContact CZ-CB 4.12Å; F710-L791 HydrophobicContact CZ-CD2 3.6Å; F710-L791 HydrophobicContact CZ-CG 4.5Å; F710-W798 HydrophobicContact CE2-CZ3 4.41Å; F710-M801 HydrophobicContact CE2-SD 4.32Å; F710-M801 HydrophobicContact CZ-SD 4.41Å
711	I	98.5	Very high	97	Very high	43 Å²	43	50.4 Å²	50.4	22%	0.221	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.7	-179.6	-56.8	-57.2	0	0	0	111.5	G691 M693 L709	G691-I711 WeakPolarHBondContact O-CA 3.38Å; M693-I711 HydrophobicContact CG-CG2 3.54Å; M693-I711 HydrophobicContact SD-CD1 3.98Å; M693-I711 HydrophobicContact SD-CG1 4.14Å; M693-I711 HydrophobicContact SD-CG2 3.89Å; L709-I711 HydrophobicContact CB-CD1 4.04Å; L709-I711 HydrophobicContact CB-CG1 4.13Å; L709-I711 HydrophobicContact CD2-CD1 4.19Å; L709-I711 PolarHBondContact O-N 2.91Å
712	F	98.7	Very high	97	Very high	14 Å²	14	51.1 Å²	51.1	6%	0.061	28%	0.275	C	S	.	.			trans	-147.7	172.2	175.6	77	-82.8	0	0	0	112.7	L579 I667 I690 G691 T692 D777 A780 Y781 C784	L579-F712 HydrophobicContact CD2-CE2 4.21Å; L579-F712 HydrophobicContact CD2-CZ 4.33Å; I667-F712 HydrophobicContact CB-CE1 4.4Å; I667-F712 HydrophobicContact CB-CZ 3.96Å; I667-F712 HydrophobicContact CG2-CE1 3.65Å; I667-F712 HydrophobicContact CG2-CZ 3.63Å; I690-F712 HydrophobicContact CD1-CD1 4.37Å; I690-F712 HydrophobicContact CD1-CE1 4.43Å; I690-F712 HydrophobicContact CG1-CD1 3.83Å; I690-F712 HydrophobicContact CG1-CE1 3.84Å; G691-F712 WeakPolarHBondContact O-CD1 3.38Å; G691-F712 PolarHBondContact O-N 3.26Å; G691-F712 VanDerWaalsContact O-N 3.1Å; T692-F712 HydrophobicContact CG2-CE2 4.3Å; T692-F712 HydrophobicContact CG2-CZ 4.18Å; F712-D777 HydrophobicContact CE2-CB 4.31Å; F712-A780 HydrophobicContact CB-CB 4.48Å; F712-A780 HydrophobicContact CD2-CB 4.37Å; F712-Y781 HydrophobicContact CD1-CD2 4.13Å; F712-Y781 HydrophobicContact CD2-CD2 4.23Å; F712-Y781 HydrophobicContact CD2-CG 4.44Å; F712-Y781 AromaticContact CE1-CD2 3.54Å; F712-Y781 HydrophobicContact CE1-CD2 3.54Å; F712-Y781 HydrophobicContact CE1-CE2 4.12Å; F712-Y781 VanDerWaalsContact CE2-CB 3.46Å; F712-Y781 AromaticContact CE2-CD2 3.69Å; F712-Y781 HydrophobicContact CE2-CD2 3.69Å; F712-Y781 AromaticContact CE2-CG 3.89Å; F712-Y781 HydrophobicContact CE2-CG 3.89Å; F712-Y781 HydrophobicContact CG-CD2 4.45Å; F712-Y781 AromaticContact CZ-CD2 3.29Å; F712-Y781 HydrophobicContact CZ-CD2 3.29Å; F712-Y781 HydrophobicContact CZ-CE2 4.04Å; F712-Y781 AromaticContact CZ-CG 3.93Å; F712-Y781 HydrophobicContact CZ-CG 3.93Å; F712-C784 HydrophobicContact CB-CB 3.82Å; F712-C784 HydrophobicContact CD1-CB 4.49Å; F712-C784 HydrophobicContact CG-CB 4.32Å
713	G	98	Very high	96.8	Very high	30 Å²	30	49.9 Å²	49.9	31%	0.309	27%	0.273	S	S	.	.	S	Bend	trans	80.8	-175.6	168.3	0	0	0	0	0	114.3	D777	G713-D777 WeakPolarHBondContact CA-OD1 3.24Å
714	M	98.3	Very high	96.7	Very high	22 Å²	22	54.9 Å²	54.9	11%	0.108	29%	0.293	C	S	.	.			trans	-62.7	144.3	177.6	-70.9	-177.8	-65.7	0	0	112.2	A670 D718 V719 L722 K773 A776 D777	A670-M714 VanDerWaalsContact CB-O 3.28Å; A670-M714 WeakPolarHBondContact CB-O 3.34Å; M714-D718 HydrophobicContact CB-CB 3.87Å; M714-D718 HydrophobicContact CG-CB 3.97Å; M714-V719 HydrophobicContact CB-CG2 3.95Å; M714-V719 HydrophobicContact CE-CG2 4.18Å; M714-V719 HydrophobicContact SD-CG2 4.31Å; M714-L722 HydrophobicContact CE-CD2 4.35Å; M714-L722 HydrophobicContact SD-CD2 3.69Å; M714-K773 HydrophobicContact CE-CB 3.85Å; M714-K773 HydrophobicContact CE-CD 3.94Å; M714-A776 HydrophobicContact CE-CB 3.56Å; M714-A776 HydrophobicContact SD-CB 4.09Å; M714-D777 WeakPolarHBondContact CG-OD1 3.45Å; M714-D777 PolarHBondContact N-OD1 3.38Å
715	R	97	Very high	96.7	Very high	114 Å²	114	61.2 Å²	61.2	43%	0.43	32%	0.318	S	S	.	.			trans	-89.1	171.9	163.1	-62.7	-178	174.6	-104.8	1.9	110.1	M693 E706 D717 D718 V719	M693-R715 HydrophobicContact CB-CG 4.42Å; E706-R715 IonicContact OE1-NH2 3.91Å; R715-D717 PolarHBondContact O-N 3.43Å; R715-D718 WeakPolarHBondContact CB-OD2 3.31Å; R715-D718 PolarHBondContact N-OD2 3.34Å; R715-D718 WeakPolarHBondContact O-CB 3.36Å; R715-D718 PolarHBondContact O-N 3.13Å; R715-D718 VanDerWaalsContact O-N 3.08Å; R715-V719 PolarHBondContact O-N 2.95Å
716	V	93	Very high	96.6	Very high	25 Å²	25	62.2 Å²	62.2	15%	0.152	33%	0.329	C	S	.	.	H	α-helix	trans	-54.3	-39.5	-178.1	175.8	0	0	0	0	112.6	I459 A670 V719 A720	I459-V716 HydrophobicContact CD1-CG2 3.87Å; A670-V716 HydrophobicContact CB-CG2 4.15Å; V716-V719 PolarHBondContact O-N 3.29Å; V716-A720 PolarHBondContact O-N 3.01Å; V716-A720 VanDerWaalsContact O-N 3.11Å
717	D	94.6	Very high	96.7	Very high	124 Å²	124	59.5 Å²	59.5	66%	0.663	31%	0.314	S	S	*	.	H	α-helix	trans	-72.7	-33.6	-179.3	-64.7	-30.2	0	0	0	112.4	R715 A720 A721	R715-D717 PolarHBondContact O-N 3.43Å; D717-A720 PolarHBondContact O-N 3.21Å; D717-A721 WeakPolarHBondContact O-CB 3.34Å; D717-A721 PolarHBondContact O-N 2.77Å
718	D	97.6	Very high	96.7	Very high	81 Å²	81	57.7 Å²	57.7	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-40.5	174.7	-54.6	-48.2	0	0	0	110.8	M714 R715 A720 A721 L722	M714-D718 HydrophobicContact CB-CB 3.87Å; M714-D718 HydrophobicContact CG-CB 3.97Å; R715-D718 WeakPolarHBondContact CB-OD2 3.31Å; R715-D718 PolarHBondContact N-OD2 3.34Å; R715-D718 WeakPolarHBondContact O-CB 3.36Å; R715-D718 PolarHBondContact O-N 3.13Å; R715-D718 VanDerWaalsContact O-N 3.08Å; D718-A720 PolarHBondContact O-N 2.88Å; D718-A721 PolarHBondContact O-N 3.09Å; D718-L722 WeakPolarHBondContact O-CB 3.4Å; D718-L722 PolarHBondContact O-N 2.82Å
719	V	96.3	Very high	96.6	Very high	16 Å²	16	57.4 Å²	57.4	10%	0.097	31%	0.305	C	S	.	.	H	α-helix	trans	-60.1	-47	174.1	176.3	0	0	0	0	110.3	T669 A670 M714 R715 V716 A721 L722 D723 K773	T669-V719 HydrophobicContact CG2-CG2 4.19Å; A670-V719 HydrophobicContact CB-CG2 4.4Å; M714-V719 HydrophobicContact CB-CG2 3.95Å; M714-V719 HydrophobicContact CE-CG2 4.18Å; M714-V719 HydrophobicContact SD-CG2 4.31Å; R715-V719 PolarHBondContact O-N 2.95Å; V716-V719 PolarHBondContact O-N 3.29Å; V719-A721 VanDerWaalsContact C-N 3.34Å; V719-A721 PolarHBondContact O-N 3.22Å; V719-L722 PolarHBondContact O-N 2.94Å; V719-D723 PolarHBondContact O-N 3.13Å; V719-K773 HydrophobicContact CG1-CD 4.23Å
720	A	93.3	Very high	96.6	Very high	30 Å²	30	62 Å²	62	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-65.9	-35.3	178.8	0	0	0	0	0	112.8	V716 D717 D718 K724	V716-A720 PolarHBondContact O-N 3.01Å; V716-A720 VanDerWaalsContact O-N 3.11Å; D717-A720 PolarHBondContact O-N 3.21Å; D718-A720 PolarHBondContact O-N 2.88Å; A720-K724 WeakPolarHBondContact O-CG 3.2Å; A720-K724 PolarHBondContact O-N 2.86Å; A720-K724 VanDerWaalsContact O-N 3.16Å
721	A	97	Very high	96.6	Very high	58 Å²	58	65.7 Å²	65.7	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-66.9	-41.4	174.1	0	0	0	0	0	111.4	D717 D718 V719 K724 K725	D717-A721 WeakPolarHBondContact O-CB 3.34Å; D717-A721 PolarHBondContact O-N 2.77Å; D718-A721 PolarHBondContact O-N 3.09Å; V719-A721 VanDerWaalsContact C-N 3.34Å; V719-A721 PolarHBondContact O-N 3.22Å; A721-K724 PolarHBondContact O-N 3.33Å; A721-K725 PolarHBondContact O-N 3.08Å
722	L	97	Very high	96.6	Very high	17 Å²	17	66.4 Å²	66.4	9%	0.089	34%	0.342	C	S	.	.	H	α-helix	trans	-68.2	-37.7	176.9	-174.4	52.8	0	0	0	112	M714 D718 V719 K724 K725 G726 Y727 K773 A776	M714-L722 HydrophobicContact CE-CD2 4.35Å; M714-L722 HydrophobicContact SD-CD2 3.69Å; D718-L722 WeakPolarHBondContact O-CB 3.4Å; D718-L722 PolarHBondContact O-N 2.82Å; V719-L722 PolarHBondContact O-N 2.94Å; L722-K724 VanDerWaalsContact C-N 3.31Å; L722-K724 PolarHBondContact O-N 3.34Å; L722-K725 HydrophobicContact CD1-CD 4.46Å; L722-K725 PolarHBondContact O-N 2.97Å; L722-G726 CarbonylContact O-C 3.18Å; L722-G726 PolarHBondContact O-N 2.97Å; L722-Y727 HydrophobicContact CD2-CD2 4.02Å; L722-Y727 HydrophobicContact CG-CD2 4.38Å; L722-K773 HydrophobicContact CD2-CD 3.84Å; L722-K773 HydrophobicContact CG-CD 4.32Å; L722-A776 HydrophobicContact CD2-CB 3.99Å
723	D	94.1	Very high	96.5	Very high	94 Å²	94	67.4 Å²	67.4	50%	0.503	35%	0.346	S	S	.	.	H	α-helix	trans	-59.6	-40.9	171.9	-77.6	-35	0	0	0	111.9	V719 G726 K773	V719-D723 PolarHBondContact O-N 3.13Å; D723-G726 PolarHBondContact O-N 3.23Å; D723-K773 VanDerWaalsContact CG-NZ 3.32Å; D723-K773 WeakPolarHBondContact OD1-CE 3.11Å; D723-K773 IonicContact OD1-NZ 3.34Å; D723-K773 PolarHBondContact OD1-NZ 3.31Å; D723-K773 IonicContact OD2-NZ 3.72Å; D723-K773 PolarHBondContact OD2-NZ 3.3Å
724	K	95.8	Very high	96.5	Very high	188 Å²	188	71.9 Å²	71.9	82%	0.817	36%	0.359	S	S	*	.	H	α-helix	trans	-69.2	-36.2	175.9	-72.2	174.4	-177.2	177.7	0	113.1	A720 A721 L722 G726	A720-K724 WeakPolarHBondContact O-CG 3.2Å; A720-K724 PolarHBondContact O-N 2.86Å; A720-K724 VanDerWaalsContact O-N 3.16Å; A721-K724 PolarHBondContact O-N 3.33Å; L722-K724 VanDerWaalsContact C-N 3.31Å; L722-K724 PolarHBondContact O-N 3.34Å; K724-G726 VanDerWaalsContact C-N 3.31Å
725	K	96.4	Very high	96.5	Very high	142 Å²	142	74.3 Å²	74.3	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-68.4	-33.5	176.7	-172	-167.4	171.6	-151	0	111.3	A721 L722 E731	A721-K725 PolarHBondContact O-N 3.08Å; L722-K725 HydrophobicContact CD1-CD 4.46Å; L722-K725 PolarHBondContact O-N 2.97Å; K725-E731 IonicContact NZ-OE1 3.11Å; K725-E731 IonicContact NZ-OE2 3.35Å; K725-E731 PolarHBondContact NZ-OE2 3.34Å
726	G	95.6	Very high	96.6	Very high	41 Å²	41	70.3 Å²	70.3	42%	0.423	37%	0.369	S	S	.	.			trans	93.3	113.2	-166	0	0	0	0	0	109.7	L722 D723 K724	L722-G726 CarbonylContact O-C 3.18Å; L722-G726 PolarHBondContact O-N 2.97Å; D723-G726 PolarHBondContact O-N 3.23Å; K724-G726 VanDerWaalsContact C-N 3.31Å
727	Y	97.4	Very high	96.9	Very high	47 Å²	47	74.1 Å²	74.1	18%	0.184	39%	0.394	C	S	.	.			trans	-75.9	121.9	176.4	170.3	-117.3	0	0	0	110.3	L722 A729 Y732 D770 K773 F775 A776	L722-Y727 HydrophobicContact CD2-CD2 4.02Å; L722-Y727 HydrophobicContact CG-CD2 4.38Å; Y727-A729 HydrophobicContact CE1-CB 4.17Å; Y727-Y732 HydrophobicContact CD2-CE2 4.03Å; Y727-Y732 HydrophobicContact CE2-CD2 4.03Å; Y727-Y732 AromaticContact CE2-CE2 3.7Å; Y727-Y732 HydrophobicContact CE2-CE2 3.7Å; Y727-D770 HydrophobicContact CE1-CB 3.97Å; Y727-D770 WeakPolarHBondContact CE1-O 3.37Å; Y727-D770 PolarHBondContact OH-OD2 2.84Å; Y727-K773 HydrophobicContact CD1-CG 4.2Å; Y727-K773 HydrophobicContact CD2-CB 4.45Å; Y727-K773 HydrophobicContact CD2-CG 4.22Å; Y727-K773 HydrophobicContact CE1-CG 4.37Å; Y727-K773 HydrophobicContact CE2-CB 4.17Å; Y727-K773 HydrophobicContact CE2-CG 4.4Å; Y727-K773 HydrophobicContact CG-CG 4.11Å; Y727-F775 PolarHBondContact OH-N 2.89Å; Y727-A776 HydrophobicContact CE2-CB 4.17Å
728	E	96.5	Very high	97.1	Very high	88 Å²	88	71.9 Å²	71.9	41%	0.411	38%	0.38	S	S	.	.			trans	-119.9	102.3	176.1	179.4	53.9	-104.6	0	0	109.4	K730 E731	E728-K730 HydrophobicContact CG-CB 4.16Å; E728-K730 PolarHBondContact O-N 2.85Å; E728-K730 WeakPolarHBondContact OE1-CB 3.45Å; E728-K730 PolarHBondContact OE1-N 3.21Å; E728-K730 VanDerWaalsContact OE1-N 3.15Å; E728-E731 HydrophobicContact CB-CG 4.06Å; E728-E731 HydrophobicContact CG-CG 3.94Å; E728-E731 PolarHBondContact O-N 3.3Å
729	A	97.4	Very high	97.1	Very high	1 Å²	1	68 Å²	68	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-60.6	-30.5	-177.7	0	0	0	0	0	112.2	Y727 E731 Y732 Y733 L766 F767 F775	Y727-A729 HydrophobicContact CE1-CB 4.17Å; A729-E731 VanDerWaalsContact C-N 3.28Å; A729-E731 PolarHBondContact O-N 3.14Å; A729-Y732 PolarHBondContact O-N 2.74Å; A729-Y733 PolarHBondContact O-N 3.32Å; A729-Y733 VanDerWaalsContact O-N 3.17Å; A729-L766 VanDerWaalsContact CB-O 3.26Å; A729-L766 WeakPolarHBondContact CB-O 2.75Å; A729-F767 HydrophobicContact CB-CD1 4.39Å; A729-F775 HydrophobicContact CB-CD2 3.79Å; A729-F775 HydrophobicContact CB-CE2 4.15Å
730	K	97.6	Very high	97.2	Very high	107 Å²	107	71 Å²	71	47%	0.465	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-34.1	179.9	-171.5	173	173.2	179.2	0	112.9	E728 Y732 Y733 E734	E728-K730 HydrophobicContact CG-CB 4.16Å; E728-K730 PolarHBondContact O-N 2.85Å; E728-K730 WeakPolarHBondContact OE1-CB 3.45Å; E728-K730 PolarHBondContact OE1-N 3.21Å; E728-K730 VanDerWaalsContact OE1-N 3.15Å; K730-Y732 VanDerWaalsContact C-N 3.31Å; K730-Y732 PolarHBondContact O-N 2.7Å; K730-Y733 PolarHBondContact O-N 2.9Å; K730-E734 WeakPolarHBondContact CE-OE1 3.42Å; K730-E734 HydrophobicContact CG-CG 4.23Å; K730-E734 IonicContact NZ-OE1 3.61Å; K730-E734 WeakPolarHBondContact O-CG 3.48Å; K730-E734 PolarHBondContact O-N 2.94Å
731	E	97.8	Very high	97.5	Very high	98 Å²	98	73.5 Å²	73.5	46%	0.458	38%	0.38	S	S	.	.	H	α-helix	trans	-56.7	-46.1	176.7	-68.9	-175.8	175.7	0	0	111.1	K725 E728 A729 A735	K725-E731 IonicContact NZ-OE1 3.11Å; K725-E731 IonicContact NZ-OE2 3.35Å; K725-E731 PolarHBondContact NZ-OE2 3.34Å; E728-E731 HydrophobicContact CB-CG 4.06Å; E728-E731 HydrophobicContact CG-CG 3.94Å; E728-E731 PolarHBondContact O-N 3.3Å; A729-E731 VanDerWaalsContact C-N 3.28Å; A729-E731 PolarHBondContact O-N 3.14Å; E731-A735 WeakPolarHBondContact O-CB 3.43Å; E731-A735 PolarHBondContact O-N 3.45Å; E731-A735 VanDerWaalsContact O-N 3.08Å
732	Y	98.4	Very high	97.6	Very high	57 Å²	57	70.8 Å²	70.8	22%	0.224	36%	0.357	C	S	.	.	H	α-helix	trans	-71	-41.6	-179.8	-62.6	-85.4	0	0	0	112.2	Y727 A729 K730 E734 A735 L736 F775 A776	Y727-Y732 HydrophobicContact CD2-CE2 4.03Å; Y727-Y732 HydrophobicContact CE2-CD2 4.03Å; Y727-Y732 AromaticContact CE2-CE2 3.7Å; Y727-Y732 HydrophobicContact CE2-CE2 3.7Å; A729-Y732 PolarHBondContact O-N 2.74Å; K730-Y732 VanDerWaalsContact C-N 3.31Å; K730-Y732 PolarHBondContact O-N 2.7Å; Y732-E734 VanDerWaalsContact C-N 3.34Å; Y732-E734 PolarHBondContact O-N 3.48Å; Y732-A735 PolarHBondContact O-N 3.4Å; Y732-L736 VanDerWaalsContact O-CB 3.3Å; Y732-L736 WeakPolarHBondContact O-CB 3.19Å; Y732-L736 WeakPolarHBondContact O-CG 3.18Å; Y732-L736 PolarHBondContact O-N 3.34Å; Y732-F775 HydrophobicContact CD2-CB 4.33Å; Y732-F775 HydrophobicContact CG-CB 4.08Å; Y732-A776 HydrophobicContact CE1-CB 4.12Å; Y732-A776 HydrophobicContact CE2-CB 4.2Å
733	Y	98.4	Very high	97.6	Very high	35 Å²	35	70.1 Å²	70.1	14%	0.137	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-41.3	177.8	168.6	-96.3	0	0	0	112.2	A729 K730 K740 I743 D744 F767	A729-Y733 PolarHBondContact O-N 3.32Å; A729-Y733 VanDerWaalsContact O-N 3.17Å; K730-Y733 PolarHBondContact O-N 2.9Å; Y733-K740 HydrophobicContact CD2-CB 4.33Å; Y733-K740 HydrophobicContact CD2-CG 4.3Å; Y733-K740 HydrophobicContact CE1-CG 4.34Å; Y733-K740 VanDerWaalsContact CE1-NZ 3.31Å; Y733-K740 HydrophobicContact CE2-CB 4.18Å; Y733-K740 HydrophobicContact CE2-CG 3.71Å; Y733-K740 WeakPolarHBondContact O-CB 3.44Å; Y733-K740 PolarHBondContact OH-NZ 3.11Å; Y733-I743 HydrophobicContact CD2-CB 4Å; Y733-I743 HydrophobicContact CD2-CG1 4.36Å; Y733-I743 HydrophobicContact CD2-CG2 3.94Å; Y733-I743 HydrophobicContact CE2-CB 3.91Å; Y733-I743 HydrophobicContact CE2-CG2 3.75Å; Y733-D744 WeakPolarHBondContact CE2-OD1 3.44Å; Y733-D744 PolarHBondContact OH-OD1 3.45Å; Y733-F767 HydrophobicContact CD1-CE1 4.04Å; Y733-F767 HydrophobicContact CD1-CZ 4.07Å; Y733-F767 HydrophobicContact CD2-CE1 4.2Å; Y733-F767 AromaticContact CD2-CZ 3.57Å; Y733-F767 HydrophobicContact CD2-CZ 3.57Å; Y733-F767 HydrophobicContact CE1-CZ 4.41Å; Y733-F767 AromaticContact CE2-CZ 3.95Å; Y733-F767 HydrophobicContact CE2-CZ 3.95Å; Y733-F767 AromaticContact CG-CE1 3.76Å; Y733-F767 HydrophobicContact CG-CE1 3.76Å; Y733-F767 AromaticContact CG-CZ 3.63Å; Y733-F767 HydrophobicContact CG-CZ 3.63Å
734	E	98.1	Very high	97.8	Very high	125 Å²	125	68 Å²	68	58%	0.584	34%	0.342	S	S	*	.	H	α-helix	trans	-74.8	-35.1	178.2	-69.1	-178	165.8	0	0	112.5	K730 Y732	K730-E734 WeakPolarHBondContact CE-OE1 3.42Å; K730-E734 HydrophobicContact CG-CG 4.23Å; K730-E734 IonicContact NZ-OE1 3.61Å; K730-E734 WeakPolarHBondContact O-CG 3.48Å; K730-E734 PolarHBondContact O-N 2.94Å; Y732-E734 VanDerWaalsContact C-N 3.34Å; Y732-E734 PolarHBondContact O-N 3.48Å
735	A	98.2	Very high	98	Very high	73 Å²	73	60 Å²	60	60%	0.603	31%	0.308	S	S	*	.	H	α-helix	trans	-78.5	-25.2	-176.9	0	0	0	0	0	114.5	E731 Y732 P737	E731-A735 WeakPolarHBondContact O-CB 3.43Å; E731-A735 PolarHBondContact O-N 3.45Å; E731-A735 VanDerWaalsContact O-N 3.08Å; Y732-A735 PolarHBondContact O-N 3.4Å; A735-P737 WeakPolarHBondContact O-CD 3.41Å
736	L	98.5	Very high	98.1	Very high	29 Å²	29	53.3 Å²	53.3	15%	0.152	28%	0.279	C	S	.	.			trans	-114.2	99.4	-170.4	-61.3	175.5	0	0	0	111.7	Y732 E738 L739 K740 Y778 E779	Y732-L736 VanDerWaalsContact O-CB 3.3Å; Y732-L736 WeakPolarHBondContact O-CB 3.19Å; Y732-L736 WeakPolarHBondContact O-CG 3.18Å; Y732-L736 PolarHBondContact O-N 3.34Å; L736-E738 VanDerWaalsContact C-N 3.34Å; L736-E738 PolarHBondContact O-N 3.21Å; L736-L739 HydrophobicContact CB-CB 3.76Å; L736-L739 HydrophobicContact CB-CD2 4.44Å; L736-L739 HydrophobicContact CD1-CD2 4.12Å; L736-L739 WeakPolarHBondContact O-CB 3.42Å; L736-L739 PolarHBondContact O-N 3.44Å; L736-L739 VanDerWaalsContact O-N 3.09Å; L736-K740 PolarHBondContact O-N 3.33Å; L736-Y778 HydrophobicContact CD1-CD1 4.08Å; L736-E779 HydrophobicContact CD1-CB 4.12Å; L736-E779 HydrophobicContact CD2-CB 4.3Å; L736-E779 HydrophobicContact CD2-CG 4.04Å
737	P	98.4	Very high	98.2	Very high	105 Å²	105	55.2 Å²	55.2	68%	0.682	28%	0.279	S	S	*	.	H	α-helix	trans	-60.4	-35.5	-174.3	-26.7	34.9	0	0	0	115	A735 L741	A735-P737 WeakPolarHBondContact O-CD 3.41Å; P737-L741 PolarHBondContact O-N 3.22Å; P737-L741 VanDerWaalsContact O-N 3.09Å
738	E	98.4	Very high	98.1	Very high	78 Å²	78	57.9 Å²	57.9	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-70.6	-38.7	176.7	-69.5	-168.7	131.7	0	0	111.9	T586 R590 L736 L741 V742	T586-E738 HydrophobicContact CG2-CB 4.4Å; R590-E738 WeakPolarHBondContact CG-OE1 3.47Å; R590-E738 IonicContact CZ-OE1 3.19Å; R590-E738 IonicContact CZ-OE2 3.86Å; R590-E738 IonicContact NE-OE1 3.62Å; R590-E738 PolarHBondContact NE-OE1 2.69Å; R590-E738 IonicContact NE-OE2 4Å; R590-E738 PolarHBondContact NE-OE2 2.98Å; R590-E738 IonicContact NH2-OE1 2.75Å; R590-E738 IonicContact NH2-OE2 4Å; R590-E738 PolarHBondContact NH2-OE2 3.34Å; L736-E738 VanDerWaalsContact C-N 3.34Å; L736-E738 PolarHBondContact O-N 3.21Å; E738-L741 PolarHBondContact O-N 3.47Å; E738-V742 WeakPolarHBondContact O-CG2 3.49Å; E738-V742 PolarHBondContact O-N 2.85Å; E738-V742 VanDerWaalsContact O-N 3.13Å
739	L	98.7	Very high	98.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-46.8	174.1	178.3	60.5	0	0	0	110.2	L582 L736 L741 V742 I743 F775 Y778	L582-L739 HydrophobicContact CD1-CD1 3.99Å; L736-L739 HydrophobicContact CB-CB 3.76Å; L736-L739 HydrophobicContact CB-CD2 4.44Å; L736-L739 HydrophobicContact CD1-CD2 4.12Å; L736-L739 WeakPolarHBondContact O-CB 3.42Å; L736-L739 PolarHBondContact O-N 3.44Å; L736-L739 VanDerWaalsContact O-N 3.09Å; L739-L741 VanDerWaalsContact C-N 3.31Å; L739-L741 PolarHBondContact O-N 2.96Å; L739-V742 WeakPolarHBondContact O-CB 3.18Å; L739-V742 PolarHBondContact O-N 3.06Å; L739-V742 VanDerWaalsContact O-N 3.13Å; L739-I743 HydrophobicContact CD1-CD1 4.35Å; L739-I743 HydrophobicContact CD1-CG1 3.94Å; L739-I743 HydrophobicContact CG-CG1 4.28Å; L739-I743 WeakPolarHBondContact O-CG1 3.42Å; L739-I743 PolarHBondContact O-N 2.91Å; L739-F775 HydrophobicContact CD1-CD1 3.94Å; L739-F775 HydrophobicContact CD1-CE1 4.01Å; L739-F775 HydrophobicContact CD2-CB 3.97Å; L739-F775 HydrophobicContact CD2-CD1 4.05Å; L739-F775 HydrophobicContact CD2-CD2 4.19Å; L739-F775 HydrophobicContact CD2-CG 3.83Å; L739-Y778 HydrophobicContact CB-CD1 3.86Å; L739-Y778 HydrophobicContact CB-CE1 3.67Å; L739-Y778 HydrophobicContact CB-CG 4.47Å; L739-Y778 HydrophobicContact CD1-CD1 4.21Å; L739-Y778 HydrophobicContact CD1-CD2 3.93Å; L739-Y778 HydrophobicContact CD1-CE1 4.43Å; L739-Y778 HydrophobicContact CD1-CE2 4.15Å; L739-Y778 HydrophobicContact CD1-CG 3.96Å; L739-Y778 HydrophobicContact CD2-CD1 4.34Å; L739-Y778 HydrophobicContact CD2-CG 4.49Å; L739-Y778 HydrophobicContact CG-CD1 4.36Å
740	K	98.7	Very high	98.2	Very high	79 Å²	79	57.7 Å²	57.7	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-51.8	-50.6	176.3	-175.3	173.1	176.4	67.6	0	111.6	Y733 L736 V742 I743 D744	Y733-K740 HydrophobicContact CD2-CB 4.33Å; Y733-K740 HydrophobicContact CD2-CG 4.3Å; Y733-K740 HydrophobicContact CE1-CG 4.34Å; Y733-K740 VanDerWaalsContact CE1-NZ 3.31Å; Y733-K740 HydrophobicContact CE2-CB 4.18Å; Y733-K740 HydrophobicContact CE2-CG 3.71Å; Y733-K740 WeakPolarHBondContact O-CB 3.44Å; Y733-K740 PolarHBondContact OH-NZ 3.11Å; L736-K740 PolarHBondContact O-N 3.33Å; K740-V742 PolarHBondContact O-N 3.35Å; K740-I743 PolarHBondContact O-N 3.5Å; K740-D744 IonicContact NZ-OD2 3.63Å; K740-D744 WeakPolarHBondContact O-CB 3.17Å; K740-D744 PolarHBondContact O-N 2.87Å
741	L	98.7	Very high	98.2	Very high	82 Å²	82	53 Å²	53	43%	0.429	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-43.8	178.7	177.6	62.1	0	0	0	112.6	N589 P737 E738 L739 Q745	N589-L741 HydrophobicContact CB-CD2 4.13Å; P737-L741 PolarHBondContact O-N 3.22Å; P737-L741 VanDerWaalsContact O-N 3.09Å; E738-L741 PolarHBondContact O-N 3.47Å; L739-L741 VanDerWaalsContact C-N 3.31Å; L739-L741 PolarHBondContact O-N 2.96Å; L741-Q745 HydrophobicContact CD1-CG 4.33Å; L741-Q745 WeakPolarHBondContact O-CB 3.28Å; L741-Q745 VanDerWaalsContact O-CG 3.29Å; L741-Q745 WeakPolarHBondContact O-CG 3.45Å; L741-Q745 PolarHBondContact O-N 3.18Å
742	V	98.6	Very high	98.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-47.9	178	171.3	0	0	0	0	110.5	L582 I585 E738 L739 K740 Q745 I746	L582-V742 HydrophobicContact CB-CG1 4.18Å; L582-V742 HydrophobicContact CD2-CG1 3.58Å; L582-V742 HydrophobicContact CG-CG1 4.42Å; I585-V742 HydrophobicContact CB-CG1 3.88Å; I585-V742 HydrophobicContact CB-CG2 4.12Å; I585-V742 HydrophobicContact CD1-CG1 3.87Å; I585-V742 HydrophobicContact CG1-CG1 4.5Å; I585-V742 HydrophobicContact CG2-CB 4.15Å; I585-V742 HydrophobicContact CG2-CG1 3.87Å; I585-V742 HydrophobicContact CG2-CG2 3.81Å; E738-V742 WeakPolarHBondContact O-CG2 3.49Å; E738-V742 PolarHBondContact O-N 2.85Å; E738-V742 VanDerWaalsContact O-N 3.13Å; L739-V742 WeakPolarHBondContact O-CB 3.18Å; L739-V742 PolarHBondContact O-N 3.06Å; L739-V742 VanDerWaalsContact O-N 3.13Å; K740-V742 PolarHBondContact O-N 3.35Å; V742-Q745 PolarHBondContact O-N 3.41Å; V742-I746 HydrophobicContact CG1-CD1 4.22Å; V742-I746 WeakPolarHBondContact O-CG1 3.39Å; V742-I746 PolarHBondContact O-N 2.93Å
743	I	98.6	Very high	98.1	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-44.2	-178.6	-64.7	-54.4	0	0	0	111.2	L582 Y733 L739 K740 Q745 I746 D747 I763 L766 F767 F775	L582-I743 HydrophobicContact CD2-CD1 4.02Å; Y733-I743 HydrophobicContact CD2-CB 4Å; Y733-I743 HydrophobicContact CD2-CG1 4.36Å; Y733-I743 HydrophobicContact CD2-CG2 3.94Å; Y733-I743 HydrophobicContact CE2-CB 3.91Å; Y733-I743 HydrophobicContact CE2-CG2 3.75Å; L739-I743 HydrophobicContact CD1-CD1 4.35Å; L739-I743 HydrophobicContact CD1-CG1 3.94Å; L739-I743 HydrophobicContact CG-CG1 4.28Å; L739-I743 WeakPolarHBondContact O-CG1 3.42Å; L739-I743 PolarHBondContact O-N 2.91Å; K740-I743 PolarHBondContact O-N 3.5Å; I743-Q745 VanDerWaalsContact C-N 3.26Å; I743-Q745 PolarHBondContact O-N 3.16Å; I743-I746 PolarHBondContact O-N 3.27Å; I743-I746 VanDerWaalsContact O-N 3.11Å; I743-D747 WeakPolarHBondContact O-CB 3.41Å; I743-D747 PolarHBondContact O-N 3.1Å; I743-I763 HydrophobicContact CG2-CD1 4.17Å; I743-L766 HydrophobicContact CD1-CD1 4.16Å; I743-F767 HydrophobicContact CG2-CE2 3.59Å; I743-F767 HydrophobicContact CG2-CZ 3.91Å; I743-F775 HydrophobicContact CD1-CE1 3.62Å; I743-F775 HydrophobicContact CD1-CZ 3.52Å; I743-F775 HydrophobicContact CG1-CE1 4.1Å; I743-F775 HydrophobicContact CG1-CZ 3.74Å
744	D	98.6	Very high	98	Very high	50 Å²	50	58.9 Å²	58.9	27%	0.267	31%	0.313	S	S	.	.	H	α-helix	trans	-59.6	-37.8	177.4	-69.6	-8.2	0	0	0	111.5	Y733 K740 D747 N748	Y733-D744 WeakPolarHBondContact CE2-OD1 3.44Å; Y733-D744 PolarHBondContact OH-OD1 3.45Å; K740-D744 IonicContact NZ-OD2 3.63Å; K740-D744 WeakPolarHBondContact O-CB 3.17Å; K740-D744 PolarHBondContact O-N 2.87Å; D744-D747 PolarHBondContact O-N 3.34Å; D744-N748 VanDerWaalsContact O-CB 3.23Å; D744-N748 WeakPolarHBondContact O-CB 3.42Å; D744-N748 PolarHBondContact O-N 3.36Å; D744-N748 PolarHBondContact O-ND2 2.76Å; D744-N748 VanDerWaalsContact O-ND2 3.13Å; D744-N748 PolarHBondContact O-OD1 3.37Å
745	Q	98.6	Very high	97.9	Very high	20 Å²	20	58.4 Å²	58.4	9%	0.093	31%	0.311	C	S	.	.	H	α-helix	trans	-67.6	-37.6	175.5	-77	173.2	-32.8	0	0	113.2	N589 L741 V742 I743 N748 F750 F751	N589-Q745 PolarHBondContact ND2-OE1 3.21Å; N589-Q745 PolarHBondContact OD1-NE2 3.42Å; N589-Q745 PolarHBondContact OD1-OE1 3.45Å; L741-Q745 HydrophobicContact CD1-CG 4.33Å; L741-Q745 WeakPolarHBondContact O-CB 3.28Å; L741-Q745 VanDerWaalsContact O-CG 3.29Å; L741-Q745 WeakPolarHBondContact O-CG 3.45Å; L741-Q745 PolarHBondContact O-N 3.18Å; V742-Q745 PolarHBondContact O-N 3.41Å; I743-Q745 VanDerWaalsContact C-N 3.26Å; I743-Q745 PolarHBondContact O-N 3.16Å; Q745-N748 WeakPolarHBondContact CA-OD1 3.34Å; Q745-N748 PolarHBondContact O-OD1 3.35Å; Q745-N748 VanDerWaalsContact O-OD1 3.09Å; Q745-F750 HydrophobicContact CB-CB 3.9Å; Q745-F750 HydrophobicContact CB-CD1 4.34Å; Q745-F750 HydrophobicContact CB-CG 4.26Å; Q745-F750 HydrophobicContact CG-CB 4.22Å; Q745-F750 HydrophobicContact CG-CD1 4.38Å; Q745-F750 HydrophobicContact CG-CG 4.2Å; Q745-F750 WeakPolarHBondContact O-CB 3.26Å; Q745-F750 PolarHBondContact O-N 3.49Å; Q745-F751 HydrophobicContact CB-CD2 4.46Å; Q745-F751 HydrophobicContact CB-CE2 3.89Å
746	I	98.3	Very high	97.8	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-43.2	176.4	-64.1	168	0	0	0	109.7	L582 I585 L623 V742 I743 F751 F759 I763	L582-I746 HydrophobicContact CD2-CD1 3.88Å; I585-I746 HydrophobicContact CD1-CD1 3.79Å; I585-I746 HydrophobicContact CD1-CG1 4.01Å; L623-I746 HydrophobicContact CD1-CG1 4.36Å; L623-I746 HydrophobicContact CD1-CG2 4.23Å; L623-I746 HydrophobicContact CD2-CD1 4.34Å; V742-I746 HydrophobicContact CG1-CD1 4.22Å; V742-I746 WeakPolarHBondContact O-CG1 3.39Å; V742-I746 PolarHBondContact O-N 2.93Å; I743-I746 PolarHBondContact O-N 3.27Å; I743-I746 VanDerWaalsContact O-N 3.11Å; I746-F751 HydrophobicContact CG1-CD2 4.03Å; I746-F751 HydrophobicContact CG1-CE2 4.24Å; I746-F759 HydrophobicContact CG2-CB 3.6Å; I746-F759 HydrophobicContact CG2-CD2 4.24Å; I746-F759 HydrophobicContact CG2-CG 4.15Å; I746-I763 HydrophobicContact CB-CD1 4Å; I746-I763 HydrophobicContact CG2-CD1 3.67Å; I746-I763 HydrophobicContact CG2-CG1 4.21Å
747	D	97.6	Very high	97.7	Very high	82 Å²	82	62.1 Å²	62.1	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-70.7	-41.4	-176.8	-168.7	48.1	0	0	0	113	I743 D744 G749 I763	I743-D747 WeakPolarHBondContact O-CB 3.41Å; I743-D747 PolarHBondContact O-N 3.1Å; D744-D747 PolarHBondContact O-N 3.34Å; D747-G749 PolarHBondContact O-N 2.94Å; D747-I763 HydrophobicContact CB-CD1 4.35Å; D747-I763 HydrophobicContact CB-CG1 4.1Å
748	N	96.6	Very high	97.7	Very high	103 Å²	103	58.6 Å²	58.6	55%	0.551	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	5.5	-177.7	73.9	14.5	0	0	0	114.7	D744 Q745 F750	D744-N748 VanDerWaalsContact O-CB 3.23Å; D744-N748 WeakPolarHBondContact O-CB 3.42Å; D744-N748 PolarHBondContact O-N 3.36Å; D744-N748 PolarHBondContact O-ND2 2.76Å; D744-N748 VanDerWaalsContact O-ND2 3.13Å; D744-N748 PolarHBondContact O-OD1 3.37Å; Q745-N748 WeakPolarHBondContact CA-OD1 3.34Å; Q745-N748 PolarHBondContact O-OD1 3.35Å; Q745-N748 VanDerWaalsContact O-OD1 3.09Å; N748-F750 WeakPolarHBondContact OD1-CB 3.26Å; N748-F750 PolarHBondContact OD1-N 3.22Å; N748-F750 VanDerWaalsContact OD1-N 3.13Å
749	G	96.8	Very high	97.7	Very high	4 Å²	4	54.9 Å²	54.9	4%	0.041	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	16.2	177.1	0	0	0	0	0	115.7	D747 F751 S752 P753	D747-G749 PolarHBondContact O-N 2.94Å; G749-F751 PolarHBondContact O-N 3.42Å; G749-S752 CarbonylContact O-C 3.52Å; G749-S752 PolarHBondContact O-N 2.87Å; G749-P753 WeakPolarHBondContact O-CA 3.43Å; G749-P753 VanDerWaalsContact O-N 3.11Å
750	F	98.2	Very high	97.6	Very high	81 Å²	81	60.2 Å²	60.2	36%	0.355	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.9	177	-177.7	-96.4	0	0	0	112.4	Y588 V630 Q745 N748	Y588-F750 AromaticContact CE1-CE1 3.8Å; Y588-F750 HydrophobicContact CE1-CE1 3.8Å; Y588-F750 AromaticContact CE1-CZ 3.96Å; Y588-F750 HydrophobicContact CE1-CZ 3.96Å; V630-F750 HydrophobicContact CG1-CE1 3.9Å; V630-F750 HydrophobicContact CG1-CZ 4.39Å; Q745-F750 HydrophobicContact CB-CB 3.9Å; Q745-F750 HydrophobicContact CB-CD1 4.34Å; Q745-F750 HydrophobicContact CB-CG 4.26Å; Q745-F750 HydrophobicContact CG-CB 4.22Å; Q745-F750 HydrophobicContact CG-CD1 4.38Å; Q745-F750 HydrophobicContact CG-CG 4.2Å; Q745-F750 WeakPolarHBondContact O-CB 3.26Å; Q745-F750 PolarHBondContact O-N 3.49Å; N748-F750 WeakPolarHBondContact OD1-CB 3.26Å; N748-F750 PolarHBondContact OD1-N 3.22Å; N748-F750 VanDerWaalsContact OD1-N 3.13Å
751	F	98.2	Very high	97.6	Very high	7 Å²	7	59.2 Å²	59.2	3%	0.031	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.6	176.8	-61.6	-70.9	0	0	0	113.7	I585 S626 V627 V630 Q745 I746 G749 F759	I585-F751 HydrophobicContact CB-CZ 4.37Å; I585-F751 HydrophobicContact CD1-CD2 4.44Å; I585-F751 HydrophobicContact CD1-CE2 3.74Å; I585-F751 HydrophobicContact CD1-CZ 4.04Å; I585-F751 HydrophobicContact CG1-CE2 3.99Å; I585-F751 HydrophobicContact CG1-CZ 3.75Å; I585-F751 HydrophobicContact CG2-CE2 3.97Å; I585-F751 HydrophobicContact CG2-CZ 3.74Å; S626-F751 WeakPolarHBondContact CB-O 3.36Å; V627-F751 HydrophobicContact CB-CD1 4.29Å; V627-F751 HydrophobicContact CB-CE1 4.38Å; V627-F751 HydrophobicContact CG1-CE1 4.31Å; V627-F751 HydrophobicContact CG2-CD1 3.8Å; V627-F751 HydrophobicContact CG2-CD2 4.25Å; V627-F751 HydrophobicContact CG2-CE1 4.01Å; V627-F751 HydrophobicContact CG2-CE2 4.43Å; V627-F751 HydrophobicContact CG2-CG 3.94Å; V627-F751 HydrophobicContact CG2-CZ 4.32Å; V630-F751 HydrophobicContact CB-CD1 3.99Å; V630-F751 HydrophobicContact CB-CE1 4.11Å; V630-F751 HydrophobicContact CG1-CD1 4.42Å; V630-F751 HydrophobicContact CG1-CE1 4.18Å; V630-F751 HydrophobicContact CG2-CD1 3.79Å; V630-F751 HydrophobicContact CG2-CE1 4.36Å; Q745-F751 HydrophobicContact CB-CD2 4.46Å; Q745-F751 HydrophobicContact CB-CE2 3.89Å; I746-F751 HydrophobicContact CG1-CD2 4.03Å; I746-F751 HydrophobicContact CG1-CE2 4.24Å; G749-F751 PolarHBondContact O-N 3.42Å; F751-F759 HydrophobicContact CB-CE2 4.23Å
752	S	97.4	Very high	97.6	Very high	10 Å²	10	55.3 Å²	55.3	7%	0.07	28%	0.283	C	S	.	.			trans	-144.4	58.3	-179.6	54.6	0	0	0	0	111.6	G749 K754 Q755	G749-S752 CarbonylContact O-C 3.52Å; G749-S752 PolarHBondContact O-N 2.87Å; S752-K754 PolarHBondContact O-N 3.49Å; S752-Q755 VanDerWaalsContact CB-O 3.27Å; S752-Q755 WeakPolarHBondContact CB-O 3.4Å; S752-Q755 CarbonylContact O-C 3.55Å; S752-Q755 WeakPolarHBondContact O-CA 3.43Å; S752-Q755 PolarHBondContact O-N 2.9Å; S752-Q755 PolarHBondContact OG-O 3.36Å
753	P	96.1	Very high	97.6	Very high	102 Å²	102	55.7 Å²	55.7	66%	0.662	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.1	-168.6	23.2	-35	0	0	0	114.3	G749	G749-P753 WeakPolarHBondContact O-CA 3.43Å; G749-P753 VanDerWaalsContact O-N 3.11Å
754	K	96.6	Very high	97.5	Very high	202 Å²	202	59 Å²	59	88%	0.878	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-20.2	175.5	-63.9	-177.7	-179.3	177.3	0	113.4	S752	S752-K754 PolarHBondContact O-N 3.49Å
755	Q	96.3	Very high	97.5	Very high	116 Å²	116	57.4 Å²	57.4	54%	0.542	29%	0.294	S	S	.	.	S	Bend	trans	-143.4	76	-177.2	-66.3	176.5	-0.6	0	0	108.3	S752 D757 L758	S752-Q755 VanDerWaalsContact CB-O 3.27Å; S752-Q755 WeakPolarHBondContact CB-O 3.4Å; S752-Q755 CarbonylContact O-C 3.55Å; S752-Q755 WeakPolarHBondContact O-CA 3.43Å; S752-Q755 PolarHBondContact O-N 2.9Å; S752-Q755 PolarHBondContact OG-O 3.36Å; Q755-D757 PolarHBondContact O-N 3.41Å; Q755-L758 HydrophobicContact CB-CB 4.02Å; Q755-L758 WeakPolarHBondContact O-CB 3.34Å; Q755-L758 PolarHBondContact O-N 3.31Å
756	P	96.1	Very high	97.5	Very high	62 Å²	62	56.5 Å²	56.5	40%	0.403	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-55.1	-39.5	-172.4	-29.1	37	0	0	0	113.4	L758	P756-L758 PolarHBondContact O-N 2.91Å
757	D	96.7	Very high	97.5	Very high	117 Å²	117	58 Å²	58	63%	0.626	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-80.7	7.5	-179	-56.1	-39.1	0	0	0	114.7	Q755 F759 K760	Q755-D757 PolarHBondContact O-N 3.41Å; D757-F759 PolarHBondContact O-N 3.46Å; D757-K760 HydrophobicContact CB-CD 4.37Å; D757-K760 WeakPolarHBondContact O-CB 3.45Å; D757-K760 WeakPolarHBondContact O-CG 3.46Å; D757-K760 PolarHBondContact O-N 3.26Å
758	L	97.8	Very high	97.4	Very high	31 Å²	31	61.9 Å²	61.9	16%	0.162	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-55.5	-38.3	-173.7	175.8	60	0	0	0	112.5	W175 M619 K622 Q755 P756	W175-L758 HydrophobicContact CH2-CD1 4.27Å; W175-L758 HydrophobicContact CZ2-CD1 3.88Å; M619-L758 HydrophobicContact CE-CD1 4.39Å; M619-L758 WeakPolarHBondContact CE-O 3.38Å; K622-L758 HydrophobicContact CG-CD2 4.23Å; Q755-L758 HydrophobicContact CB-CB 4.02Å; Q755-L758 WeakPolarHBondContact O-CB 3.34Å; Q755-L758 PolarHBondContact O-N 3.31Å; P756-L758 PolarHBondContact O-N 2.91Å
759	F	98.5	Very high	97.4	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-99	10.7	-174.2	-60.4	-58.6	0	0	0	114.5	M619 K622 L623 I746 F751 D757 D761 I762 I763	M619-F759 HydrophobicContact CE-CD1 4.02Å; M619-F759 HydrophobicContact CE-CE1 4.48Å; K622-F759 HydrophobicContact CB-CE1 4.44Å; K622-F759 HydrophobicContact CG-CE1 4.02Å; K622-F759 HydrophobicContact CG-CZ 4.28Å; L623-F759 HydrophobicContact CB-CD1 4.14Å; L623-F759 HydrophobicContact CB-CE1 3.75Å; L623-F759 HydrophobicContact CB-CZ 4.21Å; L623-F759 HydrophobicContact CD1-CD1 4.09Å; L623-F759 HydrophobicContact CD1-CD2 3.95Å; L623-F759 HydrophobicContact CD1-CE1 4.01Å; L623-F759 HydrophobicContact CD1-CE2 3.84Å; L623-F759 HydrophobicContact CD1-CG 4.07Å; L623-F759 HydrophobicContact CD1-CZ 3.88Å; L623-F759 HydrophobicContact CG-CE1 4.49Å; I746-F759 HydrophobicContact CG2-CB 3.6Å; I746-F759 HydrophobicContact CG2-CD2 4.24Å; I746-F759 HydrophobicContact CG2-CG 4.15Å; F751-F759 HydrophobicContact CB-CE2 4.23Å; D757-F759 PolarHBondContact O-N 3.46Å; F759-D761 PolarHBondContact O-N 2.95Å; F759-D761 VanDerWaalsContact O-N 3.11Å; F759-I762 HydrophobicContact CD1-CD1 3.82Å; F759-I762 WeakPolarHBondContact O-CB 3.34Å; F759-I762 PolarHBondContact O-N 2.88Å; F759-I763 PolarHBondContact O-N 3.36Å; F759-I763 VanDerWaalsContact O-N 3.1Å
760	K	97.6	Very high	97.4	Very high	112 Å²	112	63.9 Å²	63.9	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-54	-34.3	-180	75.2	-175.2	-179.1	178.1	0	113.4	D757 I762 I763 N764	D757-K760 HydrophobicContact CB-CD 4.37Å; D757-K760 WeakPolarHBondContact O-CB 3.45Å; D757-K760 WeakPolarHBondContact O-CG 3.46Å; D757-K760 PolarHBondContact O-N 3.26Å; K760-I762 VanDerWaalsContact C-N 3.35Å; K760-I763 PolarHBondContact O-N 3.16Å; K760-N764 WeakPolarHBondContact O-CB 3.45Å; K760-N764 VanDerWaalsContact O-CG 3.26Å; K760-N764 PolarHBondContact O-N 3.45Å; K760-N764 PolarHBondContact O-ND2 3.4Å
761	D	97.9	Very high	97.3	Very high	57 Å²	57	66.7 Å²	66.7	31%	0.305	32%	0.319	S	S	.	.	H	α-helix	trans	-67.1	-38.4	179.7	-68.5	-5.2	0	0	0	111.1	H615 F759 M765	H615-D761 IonicContact CD2-OD2 2.68Å; H615-D761 IonicContact CE1-OD2 2.8Å; H615-D761 IonicContact NE2-OD2 3.34Å; H615-D761 PolarHBondContact NE2-OD2 3.08Å; F759-D761 PolarHBondContact O-N 2.95Å; F759-D761 VanDerWaalsContact O-N 3.11Å; D761-M765 WeakPolarHBondContact O-CB 3.41Å; D761-M765 PolarHBondContact O-N 3.46Å
762	I	98.3	Very high	97.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-44.9	174.8	-61.9	179.1	0	0	0	109.4	L578 M616 M619 L623 F759 K760 M765 L766	L578-I762 HydrophobicContact CD1-CG2 4.24Å; L578-I762 HydrophobicContact CD2-CG2 3.91Å; M616-I762 HydrophobicContact SD-CG1 3.95Å; M619-I762 HydrophobicContact CB-CD1 4.03Å; M619-I762 HydrophobicContact CB-CG1 4.02Å; L623-I762 HydrophobicContact CB-CD1 3.89Å; L623-I762 HydrophobicContact CD2-CD1 3.85Å; L623-I762 HydrophobicContact CD2-CG2 4.49Å; L623-I762 HydrophobicContact CG-CD1 4.42Å; F759-I762 HydrophobicContact CD1-CD1 3.82Å; F759-I762 WeakPolarHBondContact O-CB 3.34Å; F759-I762 PolarHBondContact O-N 2.88Å; K760-I762 VanDerWaalsContact C-N 3.35Å; I762-M765 PolarHBondContact O-N 3.27Å; I762-L766 HydrophobicContact CG2-CD1 3.86Å; I762-L766 HydrophobicContact CG2-CG 4.36Å; I762-L766 WeakPolarHBondContact O-CB 3.3Å; I762-L766 VanDerWaalsContact O-CG 3.31Å; I762-L766 WeakPolarHBondContact O-CG 3.47Å; I762-L766 PolarHBondContact O-N 2.91Å
763	I	98.3	Very high	97.3	Very high	9 Å²	9	66.6 Å²	66.6	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-50.8	178.1	-61.8	-53.7	0	0	0	110.7	I743 I746 D747 F759 K760 M765 L766 F767	I743-I763 HydrophobicContact CG2-CD1 4.17Å; I746-I763 HydrophobicContact CB-CD1 4Å; I746-I763 HydrophobicContact CG2-CD1 3.67Å; I746-I763 HydrophobicContact CG2-CG1 4.21Å; D747-I763 HydrophobicContact CB-CD1 4.35Å; D747-I763 HydrophobicContact CB-CG1 4.1Å; F759-I763 PolarHBondContact O-N 3.36Å; F759-I763 VanDerWaalsContact O-N 3.1Å; K760-I763 PolarHBondContact O-N 3.16Å; I763-M765 VanDerWaalsContact C-N 3.31Å; I763-M765 PolarHBondContact O-N 3.19Å; I763-L766 PolarHBondContact O-N 3.43Å; I763-L766 VanDerWaalsContact O-N 3.14Å; I763-F767 HydrophobicContact CG2-CD2 3.76Å; I763-F767 HydrophobicContact CG2-CE2 3.92Å; I763-F767 WeakPolarHBondContact O-CD2 3.4Å; I763-F767 PolarHBondContact O-N 3.09Å
764	N	97.8	Very high	97.4	Very high	73 Å²	73	61.9 Å²	61.9	39%	0.39	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-42.3	177.8	-75.2	-29.7	0	0	0	112	K760 Y768	K760-N764 WeakPolarHBondContact O-CB 3.45Å; K760-N764 VanDerWaalsContact O-CG 3.26Å; K760-N764 PolarHBondContact O-N 3.45Å; K760-N764 PolarHBondContact O-ND2 3.4Å; N764-Y768 HydrophobicContact CB-CD2 4.35Å; N764-Y768 WeakPolarHBondContact O-CB 3.45Å; N764-Y768 VanDerWaalsContact O-CD2 3.31Å; N764-Y768 WeakPolarHBondContact O-CD2 3.22Å; N764-Y768 PolarHBondContact O-N 2.91Å
765	M	98	Very high	97.5	Very high	15 Å²	15	52.3 Å²	52.3	7%	0.074	25%	0.245	C	C	.	.	I	π-helix	trans	-61	-49.8	174.9	-177.3	-79.8	-71.7	0	0	110.9	E573 L578 M616 D761 I762 I763 F767 H769 D770	E573-M765 HydrophobicContact CG-CE 4.48Å; L578-M765 HydrophobicContact CD1-CE 3.5Å; M616-M765 HydrophobicContact CE-CB 3.61Å; M616-M765 HydrophobicContact CE-CG 3.96Å; M616-M765 HydrophobicContact CG-CE 4.36Å; M616-M765 HydrophobicContact SD-CE 4.11Å; D761-M765 WeakPolarHBondContact O-CB 3.41Å; D761-M765 PolarHBondContact O-N 3.46Å; I762-M765 PolarHBondContact O-N 3.27Å; I763-M765 VanDerWaalsContact C-N 3.31Å; I763-M765 PolarHBondContact O-N 3.19Å; M765-F767 VanDerWaalsContact C-N 3.32Å; M765-F767 PolarHBondContact O-N 2.91Å; M765-H769 CarbonylContact O-C 3.56Å; M765-H769 VanDerWaalsContact O-C 3.28Å; M765-H769 WeakPolarHBondContact O-CA 3.45Å; M765-H769 PolarHBondContact O-N 2.88Å; M765-D770 WeakPolarHBondContact O-CB 3.47Å; M765-D770 PolarHBondContact O-N 2.75Å; M765-D770 HydrophobicContact SD-CB 4.01Å
766	L	98.3	Very high	97.7	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.227	C	C	.	.	I	π-helix	trans	-59.1	-38.4	-179.1	-75.1	170.9	0	0	0	113.3	L578 A729 I743 I762 I763 D770 V774 F775	L578-L766 HydrophobicContact CD1-CD2 4.49Å; A729-L766 VanDerWaalsContact CB-O 3.26Å; A729-L766 WeakPolarHBondContact CB-O 2.75Å; I743-L766 HydrophobicContact CD1-CD1 4.16Å; I762-L766 HydrophobicContact CG2-CD1 3.86Å; I762-L766 HydrophobicContact CG2-CG 4.36Å; I762-L766 WeakPolarHBondContact O-CB 3.3Å; I762-L766 VanDerWaalsContact O-CG 3.31Å; I762-L766 WeakPolarHBondContact O-CG 3.47Å; I762-L766 PolarHBondContact O-N 2.91Å; I763-L766 PolarHBondContact O-N 3.43Å; I763-L766 VanDerWaalsContact O-N 3.14Å; L766-D770 WeakPolarHBondContact O-CB 3.32Å; L766-V774 HydrophobicContact CD2-CB 3.78Å; L766-V774 HydrophobicContact CD2-CG1 4.01Å; L766-V774 HydrophobicContact CD2-CG2 3.95Å; L766-F775 HydrophobicContact CB-CE1 4.15Å; L766-F775 HydrophobicContact CB-CE2 4.41Å; L766-F775 HydrophobicContact CB-CZ 3.75Å; L766-F775 HydrophobicContact CD1-CE1 4Å; L766-F775 HydrophobicContact CD1-CZ 4.12Å; L766-F775 HydrophobicContact CD2-CE1 3.97Å; L766-F775 HydrophobicContact CD2-CZ 4.45Å; L766-F775 HydrophobicContact CG-CE1 4.27Å; L766-F775 HydrophobicContact CG-CZ 4.33Å
767	F	97.9	Very high	97.8	Very high	34 Å²	34	44.8 Å²	44.8	15%	0.149	21%	0.208	C	C	.	.	I	π-helix	trans	-83.2	-38.8	-178.5	-83.9	-79.9	0	0	0	114.3	A729 Y733 I743 I763 M765 F775	A729-F767 HydrophobicContact CB-CD1 4.39Å; Y733-F767 HydrophobicContact CD1-CE1 4.04Å; Y733-F767 HydrophobicContact CD1-CZ 4.07Å; Y733-F767 HydrophobicContact CD2-CE1 4.2Å; Y733-F767 AromaticContact CD2-CZ 3.57Å; Y733-F767 HydrophobicContact CD2-CZ 3.57Å; Y733-F767 HydrophobicContact CE1-CZ 4.41Å; Y733-F767 AromaticContact CE2-CZ 3.95Å; Y733-F767 HydrophobicContact CE2-CZ 3.95Å; Y733-F767 AromaticContact CG-CE1 3.76Å; Y733-F767 HydrophobicContact CG-CE1 3.76Å; Y733-F767 AromaticContact CG-CZ 3.63Å; Y733-F767 HydrophobicContact CG-CZ 3.63Å; I743-F767 HydrophobicContact CG2-CE2 3.59Å; I743-F767 HydrophobicContact CG2-CZ 3.91Å; I763-F767 HydrophobicContact CG2-CD2 3.76Å; I763-F767 HydrophobicContact CG2-CE2 3.92Å; I763-F767 WeakPolarHBondContact O-CD2 3.4Å; I763-F767 PolarHBondContact O-N 3.09Å; M765-F767 VanDerWaalsContact C-N 3.32Å; M765-F767 PolarHBondContact O-N 2.91Å; F767-F775 HydrophobicContact CE1-CE2 4.38Å; F767-F775 HydrophobicContact CZ-CE2 4.35Å
768	Y	97.1	Very high	97.9	Very high	163 Å²	163	39.5 Å²	39.5	64%	0.639	18%	0.179	S	C	*	.	I	π-helix	trans	-115.1	-23.8	-165.4	-56.1	-64.5	0	0	0	114.2	N764	N764-Y768 HydrophobicContact CB-CD2 4.35Å; N764-Y768 WeakPolarHBondContact O-CB 3.45Å; N764-Y768 VanDerWaalsContact O-CD2 3.31Å; N764-Y768 WeakPolarHBondContact O-CD2 3.22Å; N764-Y768 PolarHBondContact O-N 2.91Å
769	H	96.4	Very high	97.9	Very high	140 Å²	140	42.2 Å²	42.2	65%	0.648	19%	0.191	S	C	*	.	I	π-helix	trans	-136.6	15.9	-167.8	-55.8	-46.2	0	0	0	113.7	M765 R771	M765-H769 CarbonylContact O-C 3.56Å; M765-H769 VanDerWaalsContact O-C 3.28Å; M765-H769 WeakPolarHBondContact O-CA 3.45Å; M765-H769 PolarHBondContact O-N 2.88Å; H769-R771 PolarHBondContact O-N 2.64Å
770	D	97.2	Very high	97.9	Very high	9 Å²	9	43.9 Å²	43.9	5%	0.048	21%	0.205	C	C	.	.			trans	-73.9	91.3	-176.3	171.6	24.8	0	0	0	111.3	Y727 M765 L766 F772 K773 V774	Y727-D770 HydrophobicContact CE1-CB 3.97Å; Y727-D770 WeakPolarHBondContact CE1-O 3.37Å; Y727-D770 PolarHBondContact OH-OD2 2.84Å; M765-D770 WeakPolarHBondContact O-CB 3.47Å; M765-D770 PolarHBondContact O-N 2.75Å; M765-D770 HydrophobicContact SD-CB 4.01Å; L766-D770 WeakPolarHBondContact O-CB 3.32Å; D770-F772 PolarHBondContact O-N 3.16Å; D770-F772 WeakPolarHBondContact OD1-CA 3.2Å; D770-F772 PolarHBondContact OD1-N 2.9Å; D770-K773 VanDerWaalsContact CG-N 3.26Å; D770-K773 PolarHBondContact OD1-N 3.1Å; D770-K773 VanDerWaalsContact OD2-CA 3.23Å; D770-K773 WeakPolarHBondContact OD2-CA 3.09Å; D770-K773 PolarHBondContact OD2-N 3.31Å; D770-V774 PolarHBondContact OD2-N 3.45Å
771	R	95.4	Very high	98	Very high	139 Å²	139	38.6 Å²	38.6	53%	0.525	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.9	175.5	-63.9	174.2	66.8	-154.6	-2.4	112.5	E383 H769	E383-R771 VanDerWaalsContact CD-NH2 3.29Å; E383-R771 IonicContact OE1-CZ 3.03Å; E383-R771 VanDerWaalsContact OE1-CZ 3.24Å; E383-R771 IonicContact OE1-NH1 3.85Å; E383-R771 PolarHBondContact OE1-NH1 3.07Å; E383-R771 IonicContact OE1-NH2 2.8Å; E383-R771 PolarHBondContact OE1-NH2 3.18Å; E383-R771 IonicContact OE2-NH2 3.45Å; E383-R771 PolarHBondContact OE2-NH2 3.12Å; H769-R771 PolarHBondContact O-N 2.64Å
772	F	97.3	Very high	98	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.031	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	3.1	-166.9	-57.5	-64.1	0	0	0	113.8	E573 Y574 T669 T672 D770 V774	E573-F772 HydrophobicContact CB-CD2 3.48Å; E573-F772 VanDerWaalsContact CB-CD2 3.48Å; E573-F772 HydrophobicContact CB-CE2 3.47Å; E573-F772 VanDerWaalsContact CB-CE2 3.47Å; Y574-F772 VanDerWaalsContact CB-CD1 3.46Å; T669-F772 WeakPolarHBondContact OG1-CB 3.39Å; T669-F772 PolarHBondContact OG1-O 2.94Å; T672-F772 HydrophobicContact CG2-CD1 4.27Å; T672-F772 HydrophobicContact CG2-CE1 4.3Å; D770-F772 PolarHBondContact O-N 3.16Å; D770-F772 WeakPolarHBondContact OD1-CA 3.2Å; D770-F772 PolarHBondContact OD1-N 2.9Å; F772-V774 PolarHBondContact O-N 3.23Å
773	K	98.4	Very high	98.1	Very high	9 Å²	9	41.2 Å²	41.2	4%	0.039	19%	0.191	C	C	.	.			trans	56.5	47.3	165.6	-52.2	172.2	175.5	68.4	0	112.2	M714 V719 L722 D723 Y727 D770 F775 A776	M714-K773 HydrophobicContact CE-CB 3.85Å; M714-K773 HydrophobicContact CE-CD 3.94Å; V719-K773 HydrophobicContact CG1-CD 4.23Å; L722-K773 HydrophobicContact CD2-CD 3.84Å; L722-K773 HydrophobicContact CG-CD 4.32Å; D723-K773 VanDerWaalsContact CG-NZ 3.32Å; D723-K773 WeakPolarHBondContact OD1-CE 3.11Å; D723-K773 IonicContact OD1-NZ 3.34Å; D723-K773 PolarHBondContact OD1-NZ 3.31Å; D723-K773 IonicContact OD2-NZ 3.72Å; D723-K773 PolarHBondContact OD2-NZ 3.3Å; Y727-K773 HydrophobicContact CD1-CG 4.2Å; Y727-K773 HydrophobicContact CD2-CB 4.45Å; Y727-K773 HydrophobicContact CD2-CG 4.22Å; Y727-K773 HydrophobicContact CE1-CG 4.37Å; Y727-K773 HydrophobicContact CE2-CB 4.17Å; Y727-K773 HydrophobicContact CE2-CG 4.4Å; Y727-K773 HydrophobicContact CG-CG 4.11Å; D770-K773 VanDerWaalsContact CG-N 3.26Å; D770-K773 PolarHBondContact OD1-N 3.1Å; D770-K773 VanDerWaalsContact OD2-CA 3.23Å; D770-K773 WeakPolarHBondContact OD2-CA 3.09Å; D770-K773 PolarHBondContact OD2-N 3.31Å; K773-F775 VanDerWaalsContact C-N 3.26Å; K773-F775 PolarHBondContact O-N 3.25Å; K773-A776 HydrophobicContact CB-CB 3.99Å; K773-A776 WeakPolarHBondContact O-CB 3.16Å; K773-A776 PolarHBondContact O-N 3.44Å
774	V	98.7	Very high	98.1	Very high	3 Å²	3	41 Å²	41	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-54.7	-42.9	-177.7	174.8	0	0	0	0	111	R576 L579 L582 L766 D770 F772 Y778	R576-V774 HydrophobicContact CG-CG2 4.49Å; L579-V774 HydrophobicContact CB-CG1 4.14Å; L579-V774 HydrophobicContact CD1-CG1 4.32Å; L582-V774 HydrophobicContact CD1-CG1 3.79Å; L766-V774 HydrophobicContact CD2-CB 3.78Å; L766-V774 HydrophobicContact CD2-CG1 4.01Å; L766-V774 HydrophobicContact CD2-CG2 3.95Å; D770-V774 PolarHBondContact OD2-N 3.45Å; F772-V774 PolarHBondContact O-N 3.23Å; V774-Y778 PolarHBondContact O-N 2.99Å
775	F	98.8	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.1	-29.7	-177.7	-64.7	-8	0	0	0	113.2	L582 Y727 A729 Y732 L739 I743 L766 F767 K773 D777 Y778	L582-F775 HydrophobicContact CD1-CD1 4.24Å; L582-F775 HydrophobicContact CD1-CE1 4.03Å; Y727-F775 PolarHBondContact OH-N 2.89Å; A729-F775 HydrophobicContact CB-CD2 3.79Å; A729-F775 HydrophobicContact CB-CE2 4.15Å; Y732-F775 HydrophobicContact CD2-CB 4.33Å; Y732-F775 HydrophobicContact CG-CB 4.08Å; L739-F775 HydrophobicContact CD1-CD1 3.94Å; L739-F775 HydrophobicContact CD1-CE1 4.01Å; L739-F775 HydrophobicContact CD2-CB 3.97Å; L739-F775 HydrophobicContact CD2-CD1 4.05Å; L739-F775 HydrophobicContact CD2-CD2 4.19Å; L739-F775 HydrophobicContact CD2-CG 3.83Å; I743-F775 HydrophobicContact CD1-CE1 3.62Å; I743-F775 HydrophobicContact CD1-CZ 3.52Å; I743-F775 HydrophobicContact CG1-CE1 4.1Å; I743-F775 HydrophobicContact CG1-CZ 3.74Å; L766-F775 HydrophobicContact CB-CE1 4.15Å; L766-F775 HydrophobicContact CB-CE2 4.41Å; L766-F775 HydrophobicContact CB-CZ 3.75Å; L766-F775 HydrophobicContact CD1-CE1 4Å; L766-F775 HydrophobicContact CD1-CZ 4.12Å; L766-F775 HydrophobicContact CD2-CE1 3.97Å; L766-F775 HydrophobicContact CD2-CZ 4.45Å; L766-F775 HydrophobicContact CG-CE1 4.27Å; L766-F775 HydrophobicContact CG-CZ 4.33Å; F767-F775 HydrophobicContact CE1-CE2 4.38Å; F767-F775 HydrophobicContact CZ-CE2 4.35Å; K773-F775 VanDerWaalsContact C-N 3.26Å; K773-F775 PolarHBondContact O-N 3.25Å; F775-D777 VanDerWaalsContact C-N 3.26Å; F775-D777 PolarHBondContact O-N 2.72Å; F775-Y778 WeakPolarHBondContact O-CB 3.33Å; F775-Y778 PolarHBondContact O-N 2.82Å
776	A	98.6	Very high	98.2	Very high	19 Å²	19	39.6 Å²	39.6	16%	0.157	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-34.4	-179.4	0	0	0	0	0	112.8	M714 L722 Y727 Y732 K773	M714-A776 HydrophobicContact CE-CB 3.56Å; M714-A776 HydrophobicContact SD-CB 4.09Å; L722-A776 HydrophobicContact CD2-CB 3.99Å; Y727-A776 HydrophobicContact CE2-CB 4.17Å; Y732-A776 HydrophobicContact CE1-CB 4.12Å; Y732-A776 HydrophobicContact CE2-CB 4.2Å; K773-A776 HydrophobicContact CB-CB 3.99Å; K773-A776 WeakPolarHBondContact O-CB 3.16Å; K773-A776 PolarHBondContact O-N 3.44Å
777	D	98.7	Very high	98.2	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.011	21%	0.209	C	C	.	.	H	α-helix	trans	-97.2	-5.3	-179.8	-81.1	-18.6	0	0	0	114.1	R576 L579 F712 G713 M714 F775 E779 A780 Y781	R576-D777 IonicContact CZ-OD2 3.27Å; R576-D777 IonicContact NH1-OD2 2.91Å; R576-D777 PolarHBondContact NH1-OD2 2.5Å; R576-D777 IonicContact NH2-OD2 2.59Å; R576-D777 PolarHBondContact NH2-OD2 2.69Å; L579-D777 HydrophobicContact CD2-CB 4.42Å; F712-D777 HydrophobicContact CE2-CB 4.31Å; G713-D777 WeakPolarHBondContact CA-OD1 3.24Å; M714-D777 WeakPolarHBondContact CG-OD1 3.45Å; M714-D777 PolarHBondContact N-OD1 3.38Å; F775-D777 VanDerWaalsContact C-N 3.26Å; F775-D777 PolarHBondContact O-N 2.72Å; D777-E779 PolarHBondContact O-N 2.83Å; D777-A780 PolarHBondContact O-N 3.26Å; D777-Y781 VanDerWaalsContact O-CB 3.3Å; D777-Y781 WeakPolarHBondContact O-CB 3.42Å; D777-Y781 PolarHBondContact O-N 3.04Å
778	Y	98.9	Very high	98.2	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.02	20%	0.202	C	C	.	.	H	α-helix	trans	-56.3	-49.8	-173.4	169.2	-91.8	0	0	0	112.9	L579 L582 T586 L736 L739 V774 F775 A780 Y781 V782	L579-Y778 HydrophobicContact CD1-CD2 4.49Å; L582-Y778 HydrophobicContact CB-CD2 4.08Å; L582-Y778 HydrophobicContact CB-CE2 4.03Å; L582-Y778 HydrophobicContact CD1-CD2 4.29Å; T586-Y778 WeakPolarHBondContact CG2-OH 3.45Å; T586-Y778 PolarHBondContact OG1-OH 2.93Å; L736-Y778 HydrophobicContact CD1-CD1 4.08Å; L739-Y778 HydrophobicContact CB-CD1 3.86Å; L739-Y778 HydrophobicContact CB-CE1 3.67Å; L739-Y778 HydrophobicContact CB-CG 4.47Å; L739-Y778 HydrophobicContact CD1-CD1 4.21Å; L739-Y778 HydrophobicContact CD1-CD2 3.93Å; L739-Y778 HydrophobicContact CD1-CE1 4.43Å; L739-Y778 HydrophobicContact CD1-CE2 4.15Å; L739-Y778 HydrophobicContact CD1-CG 3.96Å; L739-Y778 HydrophobicContact CD2-CD1 4.34Å; L739-Y778 HydrophobicContact CD2-CG 4.49Å; L739-Y778 HydrophobicContact CG-CD1 4.36Å; V774-Y778 PolarHBondContact O-N 2.99Å; F775-Y778 WeakPolarHBondContact O-CB 3.33Å; F775-Y778 PolarHBondContact O-N 2.82Å; Y778-A780 PolarHBondContact O-N 3.4Å; Y778-Y781 PolarHBondContact O-N 3.12Å; Y778-V782 HydrophobicContact CD2-CG2 4.23Å; Y778-V782 HydrophobicContact CE1-CG2 4.2Å; Y778-V782 HydrophobicContact CE2-CG2 3.8Å; Y778-V782 WeakPolarHBondContact O-CG2 3.24Å; Y778-V782 PolarHBondContact O-N 2.77Å
779	E	98.7	Very high	98.3	Very high	88 Å²	88	37.2 Å²	37.2	41%	0.411	18%	0.179	S	C	.	.	H	α-helix	trans	-66.2	-42.7	-175.5	-159.5	-156.6	-163.5	0	0	111.7	L736 D777 Y781 V782 K783	L736-E779 HydrophobicContact CD1-CB 4.12Å; L736-E779 HydrophobicContact CD2-CB 4.3Å; L736-E779 HydrophobicContact CD2-CG 4.04Å; D777-E779 PolarHBondContact O-N 2.83Å; E779-Y781 VanDerWaalsContact C-N 3.34Å; E779-V782 PolarHBondContact O-N 3.03Å; E779-K783 VanDerWaalsContact CD-CE 3.49Å; E779-K783 HydrophobicContact CG-CD 4.35Å; E779-K783 WeakPolarHBondContact O-CB 3.45Å; E779-K783 VanDerWaalsContact O-CG 3.31Å; E779-K783 WeakPolarHBondContact O-CG 3.49Å; E779-K783 PolarHBondContact O-N 3.49Å; E779-K783 VanDerWaalsContact OE1-CE 3.3Å; E779-K783 WeakPolarHBondContact OE1-CE 3.33Å; E779-K783 IonicContact OE1-NZ 2.65Å; E779-K783 PolarHBondContact OE1-NZ 3.48Å; E779-K783 IonicContact OE2-NZ 3.8Å; E779-K783 PolarHBondContact OE2-NZ 2.73Å
780	A	98.8	Very high	98.4	Very high	37 Å²	37	37.3 Å²	37.3	31%	0.306	18%	0.18	S	C	.	.	H	α-helix	trans	-64.2	-40.2	177.4	0	0	0	0	0	111.5	F712 D777 Y778 C784	F712-A780 HydrophobicContact CB-CB 4.48Å; F712-A780 HydrophobicContact CD2-CB 4.37Å; D777-A780 PolarHBondContact O-N 3.26Å; Y778-A780 PolarHBondContact O-N 3.4Å; A780-C784 WeakPolarHBondContact O-CB 3.47Å; A780-C784 PolarHBondContact O-N 2.83Å
781	Y	98.9	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-51.4	176.7	-180	-129	0	0	0	111.9	L579 N580 H583 E665 I667 I690 F712 D777 Y778 E779 K783 C784 Q785	L579-Y781 HydrophobicContact CD1-CD1 3.75Å; L579-Y781 HydrophobicContact CD1-CE1 4.47Å; L579-Y781 HydrophobicContact CD1-CG 4.33Å; L579-Y781 HydrophobicContact CD2-CD1 4.19Å; L579-Y781 HydrophobicContact CD2-CG 4.2Å; L579-Y781 HydrophobicContact CG-CD1 3.61Å; L579-Y781 HydrophobicContact CG-CE1 3.98Å; L579-Y781 HydrophobicContact CG-CG 4.13Å; N580-Y781 PolarHBondContact OD1-OH 3.49Å; H583-Y781 HydrophobicContact CB-CD1 3.95Å; H583-Y781 HydrophobicContact CB-CE1 3.37Å; H583-Y781 AromaticContact CG-CE1 3.92Å; E665-Y781 VanDerWaalsContact CD-OH 3.27Å; E665-Y781 PolarHBondContact OE1-OH 2.86Å; E665-Y781 PolarHBondContact OE2-OH 2.64Å; E665-Y781 VanDerWaalsContact OE2-OH 3.11Å; I667-Y781 HydrophobicContact CG2-CE2 4.01Å; I690-Y781 HydrophobicContact CD1-CD2 3.96Å; I690-Y781 HydrophobicContact CD1-CE2 3.73Å; I690-Y781 HydrophobicContact CG1-CE2 4.33Å; F712-Y781 HydrophobicContact CD1-CD2 4.13Å; F712-Y781 HydrophobicContact CD2-CD2 4.23Å; F712-Y781 HydrophobicContact CD2-CG 4.44Å; F712-Y781 AromaticContact CE1-CD2 3.54Å; F712-Y781 HydrophobicContact CE1-CD2 3.54Å; F712-Y781 HydrophobicContact CE1-CE2 4.12Å; F712-Y781 VanDerWaalsContact CE2-CB 3.46Å; F712-Y781 AromaticContact CE2-CD2 3.69Å; F712-Y781 HydrophobicContact CE2-CD2 3.69Å; F712-Y781 AromaticContact CE2-CG 3.89Å; F712-Y781 HydrophobicContact CE2-CG 3.89Å; F712-Y781 HydrophobicContact CG-CD2 4.45Å; F712-Y781 AromaticContact CZ-CD2 3.29Å; F712-Y781 HydrophobicContact CZ-CD2 3.29Å; F712-Y781 HydrophobicContact CZ-CE2 4.04Å; F712-Y781 AromaticContact CZ-CG 3.93Å; F712-Y781 HydrophobicContact CZ-CG 3.93Å; D777-Y781 VanDerWaalsContact O-CB 3.3Å; D777-Y781 WeakPolarHBondContact O-CB 3.42Å; D777-Y781 PolarHBondContact O-N 3.04Å; Y778-Y781 PolarHBondContact O-N 3.12Å; E779-Y781 VanDerWaalsContact C-N 3.34Å; Y781-K783 PolarHBondContact O-N 3.19Å; Y781-C784 WeakPolarHBondContact O-CB 3.36Å; Y781-C784 PolarHBondContact O-N 3.04Å; Y781-C784 VanDerWaalsContact O-N 3.11Å; Y781-Q785 HydrophobicContact CD2-CG 4.26Å; Y781-Q785 HydrophobicContact CE2-CG 3.94Å; Y781-Q785 WeakPolarHBondContact O-CG 3.18Å; Y781-Q785 PolarHBondContact O-N 3.46Å; Y781-Q785 PolarHBondContact OH-NE2 3.38Å
782	V	98.8	Very high	98.6	Very high	6 Å²	6	34 Å²	34	4%	0.036	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-43.8	179.1	173.9	0	0	0	0	111.3	T586 Y778 E779 C784 Q785 D786	T586-V782 HydrophobicContact CG2-CG1 4.36Å; Y778-V782 HydrophobicContact CD2-CG2 4.23Å; Y778-V782 HydrophobicContact CE1-CG2 4.2Å; Y778-V782 HydrophobicContact CE2-CG2 3.8Å; Y778-V782 WeakPolarHBondContact O-CG2 3.24Å; Y778-V782 PolarHBondContact O-N 2.77Å; E779-V782 PolarHBondContact O-N 3.03Å; V782-C784 VanDerWaalsContact C-N 3.29Å; V782-C784 PolarHBondContact O-N 3.28Å; V782-Q785 WeakPolarHBondContact O-CB 3.16Å; V782-Q785 PolarHBondContact O-N 2.82Å; V782-D786 PolarHBondContact O-N 3.4Å
783	K	98.8	Very high	98.6	Very high	106 Å²	106	39 Å²	39	46%	0.461	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-37.2	175.4	-74.7	172.1	-179.1	167.7	0	112.2	E779 Y781 D786 K787	E779-K783 VanDerWaalsContact CD-CE 3.49Å; E779-K783 HydrophobicContact CG-CD 4.35Å; E779-K783 WeakPolarHBondContact O-CB 3.45Å; E779-K783 VanDerWaalsContact O-CG 3.31Å; E779-K783 WeakPolarHBondContact O-CG 3.49Å; E779-K783 PolarHBondContact O-N 3.49Å; E779-K783 VanDerWaalsContact OE1-CE 3.3Å; E779-K783 WeakPolarHBondContact OE1-CE 3.33Å; E779-K783 IonicContact OE1-NZ 2.65Å; E779-K783 PolarHBondContact OE1-NZ 3.48Å; E779-K783 IonicContact OE2-NZ 3.8Å; E779-K783 PolarHBondContact OE2-NZ 2.73Å; Y781-K783 PolarHBondContact O-N 3.19Å; K783-D786 PolarHBondContact O-N 2.83Å; K783-K787 PolarHBondContact O-N 3.2Å
784	C	98.8	Very high	98.6	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.034	21%	0.214	C	C	.	.	H	α-helix	trans	-68.9	-41	176.8	-160.5	0	0	0	0	111.5	I690 F712 A780 Y781 V782 D786 K787 V788	I690-C784 HydrophobicContact CD1-CB 4.13Å; F712-C784 HydrophobicContact CB-CB 3.82Å; F712-C784 HydrophobicContact CD1-CB 4.49Å; F712-C784 HydrophobicContact CG-CB 4.32Å; A780-C784 WeakPolarHBondContact O-CB 3.47Å; A780-C784 PolarHBondContact O-N 2.83Å; Y781-C784 WeakPolarHBondContact O-CB 3.36Å; Y781-C784 PolarHBondContact O-N 3.04Å; Y781-C784 VanDerWaalsContact O-N 3.11Å; V782-C784 VanDerWaalsContact C-N 3.29Å; V782-C784 PolarHBondContact O-N 3.28Å; C784-D786 VanDerWaalsContact C-N 3.27Å; C784-D786 PolarHBondContact O-N 3.28Å; C784-K787 WeakPolarHBondContact O-CA 3.44Å; C784-K787 VanDerWaalsContact O-CB 3.32Å; C784-K787 WeakPolarHBondContact O-CB 3.36Å; C784-K787 PolarHBondContact O-N 3.47Å; C784-V788 WeakPolarHBondContact O-CG2 3.39Å; C784-V788 PolarHBondContact O-N 3.1Å
785	Q	98.8	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-33.3	174.3	-71.6	-74.1	19.6	0	0	113.2	H583 R602 E665 I690 Y781 V782 K787 V788 S789	H583-Q785 WeakPolarHBondContact NE2-CB 3.23Å; R602-Q785 PolarHBondContact NH2-O 2.81Å; R602-Q785 VanDerWaalsContact NH2-OE1 3.17Å; E665-Q785 PolarHBondContact OE1-NE2 3.17Å; I690-Q785 VanDerWaalsContact CD1-CD 3.5Å; I690-Q785 HydrophobicContact CD1-CG 3.72Å; Y781-Q785 HydrophobicContact CD2-CG 4.26Å; Y781-Q785 HydrophobicContact CE2-CG 3.94Å; Y781-Q785 WeakPolarHBondContact O-CG 3.18Å; Y781-Q785 PolarHBondContact O-N 3.46Å; Y781-Q785 PolarHBondContact OH-NE2 3.38Å; V782-Q785 WeakPolarHBondContact O-CB 3.16Å; V782-Q785 PolarHBondContact O-N 2.82Å; Q785-K787 VanDerWaalsContact C-N 3.34Å; Q785-V788 WeakPolarHBondContact O-CB 3.24Å; Q785-V788 PolarHBondContact O-N 3.45Å; Q785-S789 PolarHBondContact O-N 2.9Å; Q785-S789 PolarHBondContact O-OG 3.15Å
786	D	98.5	Very high	98.3	Very high	59 Å²	59	51.8 Å²	51.8	32%	0.316	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-39.2	172	-73.1	-33.1	0	0	0	111.3	R590 V782 K783 C784 S789 Q790	R590-D786 IonicContact CZ-OD2 3.81Å; R590-D786 IonicContact NH1-OD1 3.76Å; R590-D786 PolarHBondContact NH1-OD1 3.41Å; R590-D786 VanDerWaalsContact NH1-OD1 3.11Å; R590-D786 IonicContact NH1-OD2 3.63Å; R590-D786 PolarHBondContact NH1-OD2 2.82Å; R590-D786 IonicContact NH2-OD2 3.64Å; V782-D786 PolarHBondContact O-N 3.4Å; K783-D786 PolarHBondContact O-N 2.83Å; C784-D786 VanDerWaalsContact C-N 3.27Å; C784-D786 PolarHBondContact O-N 3.28Å; D786-S789 PolarHBondContact O-N 2.8Å; D786-Q790 VanDerWaalsContact O-CG 3.31Å; D786-Q790 WeakPolarHBondContact O-CG 3.21Å; D786-Q790 PolarHBondContact O-N 3.23Å
787	K	98.6	Very high	98.3	Very high	125 Å²	125	52.4 Å²	52.4	54%	0.543	27%	0.268	S	S	.	.	H	α-helix	trans	-65.3	-41.7	173.8	-61.5	176.2	-177.8	177.2	0	112.4	F710 K783 C784 Q785 S789 Q790 L791	F710-K787 HydrophobicContact CD1-CB 4.47Å; F710-K787 HydrophobicContact CE1-CB 4.29Å; K783-K787 PolarHBondContact O-N 3.2Å; C784-K787 WeakPolarHBondContact O-CA 3.44Å; C784-K787 VanDerWaalsContact O-CB 3.32Å; C784-K787 WeakPolarHBondContact O-CB 3.36Å; C784-K787 PolarHBondContact O-N 3.47Å; Q785-K787 VanDerWaalsContact C-N 3.34Å; K787-S789 VanDerWaalsContact C-N 3.29Å; K787-S789 PolarHBondContact O-N 3.27Å; K787-Q790 PolarHBondContact O-N 3.02Å; K787-L791 PolarHBondContact O-N 3.3Å
788	V	98.8	Very high	98.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56	-47.7	174.6	175.8	0	0	0	0	110.3	M563 L663 I690 F710 C784 Q785 Q790 L791 Y792 W798	M563-V788 HydrophobicContact CE-CG1 3.76Å; M563-V788 HydrophobicContact SD-CG1 3.95Å; L663-V788 HydrophobicContact CD1-CG1 3.8Å; L663-V788 HydrophobicContact CD1-CG2 4.17Å; L663-V788 HydrophobicContact CD2-CG1 3.8Å; L663-V788 HydrophobicContact CG-CG1 4.33Å; I690-V788 HydrophobicContact CD1-CG2 4.27Å; F710-V788 HydrophobicContact CB-CG2 4.03Å; F710-V788 HydrophobicContact CD1-CG2 3.63Å; F710-V788 HydrophobicContact CD2-CG2 3.65Å; F710-V788 HydrophobicContact CE1-CB 4.42Å; F710-V788 HydrophobicContact CE1-CG2 3.88Å; F710-V788 HydrophobicContact CE2-CB 4.45Å; F710-V788 HydrophobicContact CE2-CG1 4.46Å; F710-V788 HydrophobicContact CE2-CG2 3.87Å; F710-V788 HydrophobicContact CG-CG2 3.49Å; F710-V788 VanDerWaalsContact CG-CG2 3.49Å; F710-V788 HydrophobicContact CZ-CB 4.32Å; F710-V788 HydrophobicContact CZ-CG2 3.97Å; C784-V788 WeakPolarHBondContact O-CG2 3.39Å; C784-V788 PolarHBondContact O-N 3.1Å; Q785-V788 WeakPolarHBondContact O-CB 3.24Å; Q785-V788 PolarHBondContact O-N 3.45Å; V788-Q790 VanDerWaalsContact C-N 3.34Å; V788-Q790 PolarHBondContact O-N 2.85Å; V788-L791 PolarHBondContact O-N 3.32Å; V788-Y792 PolarHBondContact O-N 2.83Å; V788-W798 HydrophobicContact CG1-CH2 4.28Å; V788-W798 HydrophobicContact CG1-CZ3 4.11Å
789	S	98.5	Very high	98.3	Very high	22 Å²	22	53.8 Å²	53.8	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-42	178.4	-53.4	0	0	0	0	111.9	V600 R602 Q785 D786 K787 Y792 M793	V600-S789 WeakPolarHBondContact CG2-O 3.5Å; R602-S789 PolarHBondContact NH2-OG 2.91Å; Q785-S789 PolarHBondContact O-N 2.9Å; Q785-S789 PolarHBondContact O-OG 3.15Å; D786-S789 PolarHBondContact O-N 2.8Å; K787-S789 VanDerWaalsContact C-N 3.29Å; K787-S789 PolarHBondContact O-N 3.27Å; S789-Y792 PolarHBondContact O-N 3.08Å; S789-M793 PolarHBondContact O-N 2.93Å
790	Q	98.2	Very high	98.3	Very high	142 Å²	142	51.3 Å²	51.3	66%	0.664	27%	0.265	S	S	*	.	H	α-helix	trans	-62.1	-44.5	177	-71.6	168.7	10.8	0	0	112.2	D786 K787 V788 M793	D786-Q790 VanDerWaalsContact O-CG 3.31Å; D786-Q790 WeakPolarHBondContact O-CG 3.21Å; D786-Q790 PolarHBondContact O-N 3.23Å; K787-Q790 PolarHBondContact O-N 3.02Å; V788-Q790 VanDerWaalsContact C-N 3.34Å; V788-Q790 PolarHBondContact O-N 2.85Å; Q790-M793 PolarHBondContact O-N 2.96Å
791	L	98.6	Very high	98.3	Very high	34 Å²	34	50.7 Å²	50.7	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-39.5	178.9	-174.8	65.8	0	0	0	112.1	L688 F710 K787 V788 M793 N794 A797 W798 M801	L688-L791 HydrophobicContact CD1-CD2 4.16Å; F710-L791 HydrophobicContact CE2-CD2 4.28Å; F710-L791 HydrophobicContact CZ-CB 4.12Å; F710-L791 HydrophobicContact CZ-CD2 3.6Å; F710-L791 HydrophobicContact CZ-CG 4.5Å; K787-L791 PolarHBondContact O-N 3.3Å; V788-L791 PolarHBondContact O-N 3.32Å; L791-M793 PolarHBondContact O-N 3.09Å; L791-N794 CarbonylContact O-C 3.11Å; L791-N794 WeakPolarHBondContact O-CA 3.46Å; L791-N794 PolarHBondContact O-N 3.33Å; L791-A797 HydrophobicContact CD1-CB 3.67Å; L791-W798 HydrophobicContact CB-CE3 4.3Å; L791-W798 HydrophobicContact CD2-CE3 4.02Å; L791-W798 HydrophobicContact CG-CE3 4.02Å; L791-M801 HydrophobicContact CD2-CE 3.54Å; L791-M801 HydrophobicContact CD2-SD 3.56Å; L791-M801 VanDerWaalsContact CD2-SD 3.56Å
792	Y	98.4	Very high	98.3	Very high	44 Å²	44	51 Å²	51	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-25	-178.8	-167.2	-98.8	0	0	0	113.2	K543 M563 V600 D662 V788 S789 N794 W798	K543-Y792 PolarHBondContact NZ-OH 2.81Å; M563-Y792 HydrophobicContact CB-CD1 4.33Å; M563-Y792 HydrophobicContact CB-CD2 4.38Å; M563-Y792 HydrophobicContact CB-CE1 3.96Å; M563-Y792 HydrophobicContact CB-CE2 4.03Å; M563-Y792 HydrophobicContact CE-CD1 3.86Å; M563-Y792 HydrophobicContact CE-CD2 3.38Å; M563-Y792 HydrophobicContact CE-CE2 4.14Å; M563-Y792 HydrophobicContact CE-CG 3.21Å; M563-Y792 HydrophobicContact CG-CD2 4.28Å; M563-Y792 HydrophobicContact CG-CE2 4.12Å; V600-Y792 HydrophobicContact CG1-CD1 3.59Å; V600-Y792 HydrophobicContact CG1-CE1 4.17Å; V600-Y792 HydrophobicContact CG1-CG 4.4Å; D662-Y792 HydrophobicContact CB-CE2 4.3Å; V788-Y792 PolarHBondContact O-N 2.83Å; S789-Y792 PolarHBondContact O-N 3.08Å; Y792-N794 PolarHBondContact O-N 2.84Å; Y792-W798 AromaticContact CD2-CD2 3.75Å; Y792-W798 HydrophobicContact CD2-CD2 3.75Å; Y792-W798 AromaticContact CD2-CE2 3.78Å; Y792-W798 AromaticContact CD2-CE3 3.77Å; Y792-W798 HydrophobicContact CD2-CE3 3.77Å; Y792-W798 HydrophobicContact CD2-CG 4.42Å; Y792-W798 AromaticContact CD2-CH2 3.9Å; Y792-W798 HydrophobicContact CD2-CH2 3.9Å; Y792-W798 AromaticContact CD2-CZ2 3.88Å; Y792-W798 HydrophobicContact CD2-CZ2 3.88Å; Y792-W798 AromaticContact CD2-CZ3 3.84Å; Y792-W798 HydrophobicContact CD2-CZ3 3.84Å; Y792-W798 HydrophobicContact CE2-CZ2 4.28Å; Y792-W798 HydrophobicContact CG-CE3 4.34Å; Y792-W798 HydrophobicContact CG-CZ3 4.41Å
793	M	97.4	Very high	98.3	Very high	113 Å²	113	50.7 Å²	50.7	56%	0.557	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.7	171.9	-67.8	-62.7	-66.5	0	0	113.5	L598 V600 S789 Q790 L791 P795	L598-M793 HydrophobicContact CD2-CE 4.32Å; V600-M793 HydrophobicContact CG2-CG 3.68Å; V600-M793 HydrophobicContact CG2-SD 3.71Å; S789-M793 PolarHBondContact O-N 2.93Å; Q790-M793 PolarHBondContact O-N 2.96Å; L791-M793 PolarHBondContact O-N 3.09Å; M793-P795 WeakPolarHBondContact O-CD 3.24Å
794	N	97.8	Very high	98.2	Very high	84 Å²	84	48.2 Å²	48.2	45%	0.449	25%	0.245	S	C	.	.			trans	-115.3	87.9	172.4	-175	-17.7	0	0	0	110.3	L791 Y792 K796 A797 W798	L791-N794 CarbonylContact O-C 3.11Å; L791-N794 WeakPolarHBondContact O-CA 3.46Å; L791-N794 PolarHBondContact O-N 3.33Å; Y792-N794 PolarHBondContact O-N 2.84Å; N794-K796 VanDerWaalsContact C-N 3.26Å; N794-K796 PolarHBondContact O-N 3.48Å; N794-K796 PolarHBondContact OD1-N 3.12Å; N794-A797 HydrophobicContact CB-CB 4.09Å; N794-A797 PolarHBondContact O-N 3.03Å; N794-A797 VanDerWaalsContact O-N 3.16Å; N794-A797 PolarHBondContact OD1-N 2.59Å; N794-W798 PolarHBondContact O-N 2.8Å
795	P	95.8	Very high	98.2	Very high	85 Å²	85	48 Å²	48	55%	0.552	24%	0.244	S	C	*	.	H	α-helix	trans	-57.7	-34.4	-175.4	-27.3	35.2	0	0	0	114.1	M793 N799	M793-P795 WeakPolarHBondContact O-CD 3.24Å; P795-N799 WeakPolarHBondContact O-CB 3.35Å; P795-N799 VanDerWaalsContact O-CG 3.26Å; P795-N799 PolarHBondContact O-N 3.08Å; P795-N799 PolarHBondContact O-ND2 2.93Å
796	K	96.9	Very high	98.2	Very high	111 Å²	111	48 Å²	48	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-67	-46.6	179.2	-179.1	166.6	175.2	160.6	0	111.1	D529 N794 T800	D529-K796 WeakPolarHBondContact OD1-CE 3.43Å; D529-K796 IonicContact OD1-NZ 3.47Å; D529-K796 PolarHBondContact OD1-NZ 3.33Å; D529-K796 IonicContact OD2-NZ 3.34Å; D529-K796 PolarHBondContact OD2-NZ 3.09Å; N794-K796 VanDerWaalsContact C-N 3.26Å; N794-K796 PolarHBondContact O-N 3.48Å; N794-K796 PolarHBondContact OD1-N 3.12Å; K796-T800 WeakPolarHBondContact O-CB 3.4Å; K796-T800 PolarHBondContact O-N 2.65Å; K796-T800 PolarHBondContact O-OG1 3.31Å
797	A	98.1	Very high	98.2	Very high	33 Å²	33	45.2 Å²	45.2	27%	0.273	23%	0.229	S	C	.	.	H	α-helix	trans	-65.8	-42.3	176.8	0	0	0	0	0	111.8	L791 N794 T800 M801	L791-A797 HydrophobicContact CD1-CB 3.67Å; N794-A797 HydrophobicContact CB-CB 4.09Å; N794-A797 PolarHBondContact O-N 3.03Å; N794-A797 VanDerWaalsContact O-N 3.16Å; N794-A797 PolarHBondContact OD1-N 2.59Å; A797-T800 PolarHBondContact O-N 2.68Å; A797-M801 PolarHBondContact O-N 2.88Å
798	W	98.6	Very high	98.2	Very high	11 Å²	11	39.6 Å²	39.6	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-54.4	174.4	-178.7	-86.7	0	0	0	111.8	M563 D662 L688 F710 V788 L791 Y792 N794 T800 M801 V802	M563-W798 HydrophobicContact CE-CH2 4.14Å; M563-W798 HydrophobicContact CE-CZ3 4.18Å; D662-W798 HydrophobicContact CB-CZ2 3.97Å; D662-W798 WeakPolarHBondContact O-CZ2 3.45Å; L688-W798 HydrophobicContact CB-CH2 4.2Å; L688-W798 HydrophobicContact CB-CZ2 4.24Å; L688-W798 HydrophobicContact CD1-CD2 3.77Å; L688-W798 HydrophobicContact CD1-CE3 3.7Å; L688-W798 HydrophobicContact CD1-CH2 3.75Å; L688-W798 HydrophobicContact CD1-CZ2 3.79Å; L688-W798 HydrophobicContact CD1-CZ3 3.7Å; L688-W798 HydrophobicContact CG-CH2 4.22Å; L688-W798 HydrophobicContact CG-CZ2 3.97Å; F710-W798 HydrophobicContact CE2-CZ3 4.41Å; V788-W798 HydrophobicContact CG1-CH2 4.28Å; V788-W798 HydrophobicContact CG1-CZ3 4.11Å; L791-W798 HydrophobicContact CB-CE3 4.3Å; L791-W798 HydrophobicContact CD2-CE3 4.02Å; L791-W798 HydrophobicContact CG-CE3 4.02Å; Y792-W798 AromaticContact CD2-CD2 3.75Å; Y792-W798 HydrophobicContact CD2-CD2 3.75Å; Y792-W798 AromaticContact CD2-CE2 3.78Å; Y792-W798 AromaticContact CD2-CE3 3.77Å; Y792-W798 HydrophobicContact CD2-CE3 3.77Å; Y792-W798 HydrophobicContact CD2-CG 4.42Å; Y792-W798 AromaticContact CD2-CH2 3.9Å; Y792-W798 HydrophobicContact CD2-CH2 3.9Å; Y792-W798 AromaticContact CD2-CZ2 3.88Å; Y792-W798 HydrophobicContact CD2-CZ2 3.88Å; Y792-W798 AromaticContact CD2-CZ3 3.84Å; Y792-W798 HydrophobicContact CD2-CZ3 3.84Å; Y792-W798 HydrophobicContact CE2-CZ2 4.28Å; Y792-W798 HydrophobicContact CG-CE3 4.34Å; Y792-W798 HydrophobicContact CG-CZ3 4.41Å; N794-W798 PolarHBondContact O-N 2.8Å; W798-T800 VanDerWaalsContact C-N 3.28Å; W798-T800 PolarHBondContact O-N 2.96Å; W798-M801 WeakPolarHBondContact O-CB 3.34Å; W798-M801 PolarHBondContact O-N 2.73Å; W798-M801 VanDerWaalsContact O-N 3.08Å; W798-V802 WeakPolarHBondContact O-CG2 3.33Å; W798-V802 PolarHBondContact O-N 3.35Å
799	N	98.3	Very high	98.2	Very high	24 Å²	24	39.7 Å²	39.7	13%	0.128	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-29.3	-177.7	-68.9	-43.6	0	0	0	112.8	L532 A536 P795 V802 L803	L532-N799 HydrophobicContact CB-CB 4.47Å; L532-N799 HydrophobicContact CD2-CB 4.22Å; A536-N799 WeakPolarHBondContact CB-ND2 3.26Å; P795-N799 WeakPolarHBondContact O-CB 3.35Å; P795-N799 VanDerWaalsContact O-CG 3.26Å; P795-N799 PolarHBondContact O-N 3.08Å; P795-N799 PolarHBondContact O-ND2 2.93Å; N799-V802 PolarHBondContact O-N 2.8Å; N799-L803 WeakPolarHBondContact O-CB 3.48Å; N799-L803 PolarHBondContact O-N 3.07Å
800	T	98.5	Very high	98.2	Very high	36 Å²	36	39 Å²	39	22%	0.221	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-45.1	171.3	-57.4	0	0	0	0	110.6	L526 K796 A797 W798 V802 L803 K804	L526-T800 HydrophobicContact CD2-CG2 4.09Å; K796-T800 WeakPolarHBondContact O-CB 3.4Å; K796-T800 PolarHBondContact O-N 2.65Å; K796-T800 PolarHBondContact O-OG1 3.31Å; A797-T800 PolarHBondContact O-N 2.68Å; W798-T800 VanDerWaalsContact C-N 3.28Å; W798-T800 PolarHBondContact O-N 2.96Å; T800-V802 VanDerWaalsContact C-N 3.34Å; T800-L803 PolarHBondContact O-N 2.86Å; T800-K804 WeakPolarHBondContact O-CG 3.44Å; T800-K804 PolarHBondContact O-N 2.94Å; T800-K804 VanDerWaalsContact O-N 3.13Å
801	M	98.6	Very high	98.2	Very high	25 Å²	25	35 Å²	35	12%	0.123	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-37.7	177	-168.7	178.3	-74.4	0	0	111.9	L688 E707 N708 F710 L791 A797 W798 K804 N805	L688-M801 HydrophobicContact CD1-CB 4.22Å; L688-M801 HydrophobicContact CD1-CG 4.08Å; L688-M801 HydrophobicContact CD1-SD 3.67Å; L688-M801 HydrophobicContact CD2-CB 4.16Å; L688-M801 HydrophobicContact CD2-CG 3.73Å; L688-M801 HydrophobicContact CD2-SD 4.17Å; E707-M801 VanDerWaalsContact O-CE 3.29Å; E707-M801 WeakPolarHBondContact O-CE 3.25Å; N708-M801 HydrophobicContact CB-CG 3.8Å; F710-M801 HydrophobicContact CE2-SD 4.32Å; F710-M801 HydrophobicContact CZ-SD 4.41Å; L791-M801 HydrophobicContact CD2-CE 3.54Å; L791-M801 HydrophobicContact CD2-SD 3.56Å; L791-M801 VanDerWaalsContact CD2-SD 3.56Å; A797-M801 PolarHBondContact O-N 2.88Å; W798-M801 WeakPolarHBondContact O-CB 3.34Å; W798-M801 PolarHBondContact O-N 2.73Å; W798-M801 VanDerWaalsContact O-N 3.08Å; M801-K804 PolarHBondContact O-N 2.85Å; M801-N805 PolarHBondContact O-N 3.18Å; M801-N805 VanDerWaalsContact O-N 3.12Å; M801-N805 PolarHBondContact O-ND2 3.06Å
802	V	98.8	Very high	98.2	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-47.8	173.7	170	0	0	0	0	110.9	L535 G686 L688 W798 N799 T800 K804 N805 I806	L535-V802 HydrophobicContact CD2-CG1 4.05Å; G686-V802 VanDerWaalsContact CA-CG1 3.49Å; G686-V802 WeakPolarHBondContact O-CG1 3.49Å; L688-V802 HydrophobicContact CD1-CG2 4.45Å; L688-V802 HydrophobicContact CD2-CG2 3.88Å; L688-V802 HydrophobicContact CG-CG2 3.92Å; W798-V802 WeakPolarHBondContact O-CG2 3.33Å; W798-V802 PolarHBondContact O-N 3.35Å; N799-V802 PolarHBondContact O-N 2.8Å; T800-V802 VanDerWaalsContact C-N 3.34Å; V802-K804 VanDerWaalsContact C-N 3.34Å; V802-K804 PolarHBondContact O-N 3.07Å; V802-N805 WeakPolarHBondContact O-CB 3.31Å; V802-N805 PolarHBondContact O-N 3.17Å; V802-N805 VanDerWaalsContact O-N 3.15Å; V802-I806 HydrophobicContact CG1-CD1 3.96Å; V802-I806 WeakPolarHBondContact O-CG1 3.27Å; V802-I806 PolarHBondContact O-N 3.38Å
803	L	98.7	Very high	98.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-43.7	179	176.9	53.7	0	0	0	112	L522 L526 F531 L532 L535 N799 T800 N805 I806 A807	L522-L803 HydrophobicContact CB-CD1 3.96Å; L522-L803 HydrophobicContact CD1-CD1 4.48Å; L526-L803 HydrophobicContact CD2-CB 4.49Å; L526-L803 HydrophobicContact CD2-CD2 4.01Å; L526-L803 HydrophobicContact CD2-CG 4.15Å; F531-L803 HydrophobicContact CD1-CD1 4.43Å; F531-L803 HydrophobicContact CD1-CD2 3.94Å; F531-L803 HydrophobicContact CE1-CD1 3.62Å; F531-L803 HydrophobicContact CE1-CD2 3.95Å; F531-L803 HydrophobicContact CE1-CG 4.45Å; L532-L803 HydrophobicContact CD2-CB 4.19Å; L532-L803 HydrophobicContact CD2-CD2 3.92Å; L535-L803 HydrophobicContact CD2-CB 4.06Å; N799-L803 WeakPolarHBondContact O-CB 3.48Å; N799-L803 PolarHBondContact O-N 3.07Å; T800-L803 PolarHBondContact O-N 2.86Å; L803-N805 VanDerWaalsContact C-N 3.33Å; L803-N805 PolarHBondContact O-N 3.37Å; L803-I806 PolarHBondContact O-N 3.27Å; L803-A807 WeakPolarHBondContact O-CB 3.48Å; L803-A807 PolarHBondContact O-N 3.21Å
804	K	98.6	Very high	98.3	Very high	53 Å²	53	26.3 Å²	26.3	23%	0.23	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-43.3	175	-70.1	-179.2	176.9	-172.5	0	112.3	L526 E707 N708 T800 M801 V802 A807 A808	L526-K804 HydrophobicContact CD1-CG 4.39Å; L526-K804 HydrophobicContact CD2-CG 3.72Å; E707-K804 IonicContact OE1-NZ 3.8Å; N708-K804 VanDerWaalsContact CG-CD 3.5Å; N708-K804 WeakPolarHBondContact ND2-CD 3.36Å; N708-K804 VanDerWaalsContact OD1-CD 3.22Å; N708-K804 WeakPolarHBondContact OD1-CD 3.49Å; N708-K804 PolarHBondContact OD1-NZ 2.78Å; N708-K804 VanDerWaalsContact OD1-NZ 3.11Å; T800-K804 WeakPolarHBondContact O-CG 3.44Å; T800-K804 PolarHBondContact O-N 2.94Å; T800-K804 VanDerWaalsContact O-N 3.13Å; M801-K804 PolarHBondContact O-N 2.85Å; V802-K804 VanDerWaalsContact C-N 3.34Å; V802-K804 PolarHBondContact O-N 3.07Å; K804-A807 PolarHBondContact O-N 3.39Å; K804-A808 VanDerWaalsContact O-CB 3.28Å; K804-A808 WeakPolarHBondContact O-CB 3.5Å; K804-A808 PolarHBondContact O-N 3.28Å
805	N	98.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.6	-43.6	177.6	-85.8	-94.5	0	0	0	112.1	M683 N708 M801 V802 L803 A808 S809	M683-N805 VanDerWaalsContact CE-O 3.23Å; M683-N805 WeakPolarHBondContact CE-O 3.09Å; M683-N805 HydrophobicContact CG-CB 4.14Å; N708-N805 PolarHBondContact O-ND2 2.73Å; M801-N805 PolarHBondContact O-N 3.18Å; M801-N805 VanDerWaalsContact O-N 3.12Å; M801-N805 PolarHBondContact O-ND2 3.06Å; V802-N805 WeakPolarHBondContact O-CB 3.31Å; V802-N805 PolarHBondContact O-N 3.17Å; V802-N805 VanDerWaalsContact O-N 3.15Å; L803-N805 VanDerWaalsContact C-N 3.33Å; L803-N805 PolarHBondContact O-N 3.37Å; N805-A808 PolarHBondContact O-N 3.14Å; N805-S809 PolarHBondContact O-N 2.96Å
806	I	98.8	Very high	98.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-47.7	175.8	-64.1	168.4	0	0	0	110	L500 I504 L522 L535 V802 L803 A808 S809	L500-I806 HydrophobicContact CD1-CD1 4.31Å; L500-I806 HydrophobicContact CD2-CD1 4.26Å; I504-I806 HydrophobicContact CD1-CG2 4.22Å; L522-I806 HydrophobicContact CD1-CG2 3.93Å; L535-I806 HydrophobicContact CD1-CD1 3.83Å; L535-I806 HydrophobicContact CD2-CD1 4.47Å; V802-I806 HydrophobicContact CG1-CD1 3.96Å; V802-I806 WeakPolarHBondContact O-CG1 3.27Å; V802-I806 PolarHBondContact O-N 3.38Å; L803-I806 PolarHBondContact O-N 3.27Å; I806-A808 VanDerWaalsContact C-N 3.26Å; I806-A808 PolarHBondContact O-N 3Å; I806-S809 WeakPolarHBondContact O-CB 3.44Å; I806-S809 PolarHBondContact O-N 2.91Å; I806-S809 VanDerWaalsContact O-N 3.11Å; I806-S809 PolarHBondContact O-OG 2.86Å
807	A	98.4	Very high	98.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.1	-33.9	-179	0	0	0	0	0	113.1	L519 T520 L522 H523 L803 K804	L519-A807 CarbonylContact C-O 3.59Å; L519-A807 WeakPolarHBondContact O-CA 3.45Å; T520-A807 PolarHBondContact N-O 2.91Å; L522-A807 HydrophobicContact CB-CB 4.02Å; H523-A807 WeakPolarHBondContact NE2-CB 3.38Å; L803-A807 WeakPolarHBondContact O-CB 3.48Å; L803-A807 PolarHBondContact O-N 3.21Å; K804-A807 PolarHBondContact O-N 3.39Å
808	A	98.1	Very high	98.5	Very high	7 Å²	7	13.9 Å²	13.9	6%	0.058	7%	0.068	C	C	.	.	H	α-helix	trans	-83.2	-6.7	178.3	0	0	0	0	0	114.5	M683 E703 A704 K804 N805 I806 G810	M683-A808 HydrophobicContact CE-CB 3.78Å; E703-A808 HydrophobicContact CB-CB 4.12Å; E703-A808 WeakPolarHBondContact O-CB 3.33Å; A704-A808 HydrophobicContact CB-CB 3.95Å; K804-A808 VanDerWaalsContact O-CB 3.28Å; K804-A808 WeakPolarHBondContact O-CB 3.5Å; K804-A808 PolarHBondContact O-N 3.28Å; N805-A808 PolarHBondContact O-N 3.14Å; I806-A808 VanDerWaalsContact C-N 3.26Å; I806-A808 PolarHBondContact O-N 3Å; A808-G810 PolarHBondContact O-N 3.36Å
809	S	98.5	Very high	98.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.007	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-77.5	-5.5	-171.9	68.7	0	0	0	0	114.8	L519 L684 N805 I806 K811 F812	L519-S809 WeakPolarHBondContact CD1-OG 3.27Å; L684-S809 VanDerWaalsContact CD1-OG 3.23Å; L684-S809 WeakPolarHBondContact CD1-OG 3.43Å; N805-S809 PolarHBondContact O-N 2.96Å; I806-S809 WeakPolarHBondContact O-CB 3.44Å; I806-S809 PolarHBondContact O-N 2.91Å; I806-S809 VanDerWaalsContact O-N 3.11Å; I806-S809 PolarHBondContact O-OG 2.86Å; S809-K811 VanDerWaalsContact C-N 3.3Å; S809-K811 PolarHBondContact O-N 3.1Å; S809-F812 PolarHBondContact O-N 3.39Å
810	G	98.2	Very high	98.5	Very high	8 Å²	8	19 Å²	19	8%	0.082	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-55.7	-37.7	-173.7	0	0	0	0	0	115	L516 A808 F812 S813	L516-G810 WeakPolarHBondContact O-CA 3.31Å; A808-G810 PolarHBondContact O-N 3.36Å; G810-F812 PolarHBondContact O-N 2.84Å; G810-F812 VanDerWaalsContact O-N 3.16Å; G810-S813 PolarHBondContact O-N 3.07Å
811	K	98.3	Very high	98.5	Very high	59 Å²	59	17.3 Å²	17.3	26%	0.257	8%	0.081	S	C	.	.	G	3₁₀ helix	trans	-57.3	-29.7	176.8	179.8	174.9	178.6	-178	0	112.6	E699 E703 S809 S813 R816	E699-K811 IonicContact OE1-NZ 3.7Å; E703-K811 HydrophobicContact CG-CB 4.17Å; E703-K811 HydrophobicContact CG-CD 3.61Å; E703-K811 WeakPolarHBondContact OE1-CD 3.37Å; E703-K811 IonicContact OE1-NZ 3.65Å; E703-K811 PolarHBondContact OE1-NZ 2.64Å; S809-K811 VanDerWaalsContact C-N 3.3Å; S809-K811 PolarHBondContact O-N 3.1Å; K811-S813 VanDerWaalsContact C-N 3.27Å; K811-S813 PolarHBondContact O-N 3.45Å; K811-R816 PolarHBondContact O-NE 3.5Å; K811-R816 PolarHBondContact O-NH2 3.22Å
812	F	98.5	Very high	98.5	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.013	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-87.2	13.3	-171.9	-53	-65.3	0	0	0	114.2	G486 I487 M680 M683 E699 M700 E703 S809 G810	G486-F812 CarbonylContact C-O 2.95Å; G486-F812 WeakPolarHBondContact CA-O 3.26Å; I487-F812 PolarHBondContact N-O 3.23Å; M680-F812 HydrophobicContact CB-CB 4.01Å; M680-F812 HydrophobicContact CB-CG 4.45Å; M680-F812 HydrophobicContact CE-CD1 3.84Å; M680-F812 HydrophobicContact CE-CE1 4.5Å; M680-F812 HydrophobicContact CG-CB 3.82Å; M680-F812 HydrophobicContact CG-CD1 3.98Å; M680-F812 HydrophobicContact CG-CG 3.9Å; M680-F812 HydrophobicContact SD-CB 3.95Å; M680-F812 HydrophobicContact SD-CD1 4.1Å; M680-F812 HydrophobicContact SD-CG 4.33Å; M683-F812 HydrophobicContact CE-CE2 4.13Å; M683-F812 HydrophobicContact SD-CD2 3.91Å; M683-F812 HydrophobicContact SD-CE2 3.67Å; E699-F812 HydrophobicContact CB-CE1 4.1Å; E699-F812 HydrophobicContact CB-CZ 4.3Å; M700-F812 HydrophobicContact CB-CE2 4.37Å; M700-F812 HydrophobicContact CB-CZ 4.15Å; M700-F812 HydrophobicContact CG-CD2 4.38Å; M700-F812 HydrophobicContact CG-CE1 4.07Å; M700-F812 HydrophobicContact CG-CE2 3.69Å; M700-F812 HydrophobicContact CG-CZ 3.52Å; E703-F812 HydrophobicContact CB-CE2 4.47Å; E703-F812 HydrophobicContact CG-CE2 4.2Å; E703-F812 HydrophobicContact CG-CZ 4.01Å; S809-F812 PolarHBondContact O-N 3.39Å; G810-F812 PolarHBondContact O-N 2.84Å; G810-F812 VanDerWaalsContact O-N 3.16Å
813	S	98.7	Very high	98.4	Very high	4 Å²	4	20.4 Å²	20.4	3%	0.028	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-66.1	134.3	168	178.6	0	0	0	0	111.4	I487 G810 K811 D815 R816 T817	I487-S813 WeakPolarHBondContact O-CA 3.34Å; G810-S813 PolarHBondContact O-N 3.07Å; K811-S813 VanDerWaalsContact C-N 3.27Å; K811-S813 PolarHBondContact O-N 3.45Å; S813-D815 PolarHBondContact O-N 2.95Å; S813-D815 WeakPolarHBondContact OG-CB 3.42Å; S813-D815 PolarHBondContact OG-N 2.82Å; S813-D815 VanDerWaalsContact OG-N 3.11Å; S813-D815 PolarHBondContact OG-OD2 2.76Å; S813-R816 PolarHBondContact O-N 2.76Å; S813-T817 PolarHBondContact O-N 2.85Å
814	S	98.6	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-18	170.9	53.4	0	0	0	0	112.9	S147 I487 T488 T817 I818	S147-S814 WeakPolarHBondContact OG-CB 3.28Å; S147-S814 PolarHBondContact OG-O 2.99Å; S147-S814 PolarHBondContact OG-OG 3.24Å; I487-S814 VanDerWaalsContact C-OG 3.25Å; I487-S814 PolarHBondContact O-N 2.79Å; I487-S814 PolarHBondContact O-OG 2.99Å; T488-S814 WeakPolarHBondContact CA-OG 3.18Å; T488-S814 PolarHBondContact N-OG 2.87Å; T488-S814 VanDerWaalsContact N-OG 3.15Å; S814-T817 WeakPolarHBondContact O-CB 3.39Å; S814-T817 PolarHBondContact O-N 3.44Å; S814-I818 WeakPolarHBondContact O-CB 3.31Å; S814-I818 WeakPolarHBondContact O-CG1 3.38Å; S814-I818 PolarHBondContact O-N 3.24Å
815	D	98.4	Very high	98.3	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-67.1	-40.8	174.7	-57.3	-23.7	0	0	0	111	S147 L151 R490 S813 I818 K819	S147-D815 WeakPolarHBondContact CA-OD1 3.28Å; S147-D815 VanDerWaalsContact CB-OD1 3.23Å; S147-D815 WeakPolarHBondContact CB-OD1 3.46Å; S147-D815 PolarHBondContact OG-N 3.35Å; S147-D815 PolarHBondContact OG-OD1 2.98Å; L151-D815 HydrophobicContact CD1-CB 4.33Å; R490-D815 IonicContact CZ-OD1 3.45Å; R490-D815 IonicContact CZ-OD2 2.7Å; R490-D815 VanDerWaalsContact NH1-CG 3.28Å; R490-D815 IonicContact NH1-OD1 2.74Å; R490-D815 PolarHBondContact NH1-OD1 3.49Å; R490-D815 VanDerWaalsContact NH1-OD1 3.16Å; R490-D815 IonicContact NH1-OD2 3.06Å; R490-D815 PolarHBondContact NH1-OD2 2.72Å; R490-D815 IonicContact NH2-OD1 3.74Å; R490-D815 PolarHBondContact NH2-OD1 3.37Å; R490-D815 IonicContact NH2-OD2 2.97Å; S813-D815 PolarHBondContact O-N 2.95Å; S813-D815 WeakPolarHBondContact OG-CB 3.42Å; S813-D815 PolarHBondContact OG-N 2.82Å; S813-D815 VanDerWaalsContact OG-N 3.11Å; S813-D815 PolarHBondContact OG-OD2 2.76Å; D815-I818 PolarHBondContact O-N 2.85Å; D815-K819 WeakPolarHBondContact O-CB 2.94Å; D815-K819 VanDerWaalsContact O-CG 3.24Å; D815-K819 WeakPolarHBondContact O-CG 3.46Å; D815-K819 PolarHBondContact O-N 3.43Å
816	R	98.3	Very high	98.3	Very high	48 Å²	48	22.7 Å²	22.7	18%	0.181	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-46.1	174.8	179.7	-82.3	-50.1	139.7	8.8	110	T484 N485 K811 S813 I818 K819 E820	T484-R816 PolarHBondContact O-NH1 2.73Å; T484-R816 PolarHBondContact O-NH2 2.87Å; N485-R816 PolarHBondContact O-NH2 3.03Å; K811-R816 PolarHBondContact O-NE 3.5Å; K811-R816 PolarHBondContact O-NH2 3.22Å; S813-R816 PolarHBondContact O-N 2.76Å; R816-I818 PolarHBondContact O-N 3.09Å; R816-K819 PolarHBondContact O-N 2.89Å; R816-E820 VanDerWaalsContact CD-CD 3.5Å; R816-E820 WeakPolarHBondContact CD-OE1 3.46Å; R816-E820 IonicContact NH1-OE1 3.07Å; R816-E820 IonicContact NH1-OE2 2.84Å; R816-E820 PolarHBondContact NH1-OE2 3.37Å; R816-E820 WeakPolarHBondContact O-CG 3.35Å; R816-E820 PolarHBondContact O-N 3.24Å; R816-E820 VanDerWaalsContact O-N 3.09Å
817	T	98.5	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-54.5	-52.8	173.7	-51.2	0	0	0	0	111.3	F144 T484 G486 S813 S814 K819 E820 Y821	F144-T817 HydrophobicContact CE1-CG2 3.68Å; F144-T817 HydrophobicContact CZ-CG2 3.58Å; T484-T817 WeakPolarHBondContact O-CG2 3.41Å; T484-T817 PolarHBondContact O-OG1 3.12Å; G486-T817 PolarHBondContact N-OG1 3.33Å; S813-T817 PolarHBondContact O-N 2.85Å; S814-T817 WeakPolarHBondContact O-CB 3.39Å; S814-T817 PolarHBondContact O-N 3.44Å; T817-K819 PolarHBondContact O-N 3.26Å; T817-E820 WeakPolarHBondContact O-CB 3.33Å; T817-E820 PolarHBondContact O-N 3.02Å; T817-E820 VanDerWaalsContact O-N 3.13Å; T817-Y821 HydrophobicContact CG2-CD2 3.76Å; T817-Y821 HydrophobicContact CG2-CE2 3.53Å; T817-Y821 VanDerWaalsContact O-CD2 3.3Å; T817-Y821 WeakPolarHBondContact O-CD2 3.27Å; T817-Y821 PolarHBondContact O-N 3.42Å
818	I	98.6	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-35.6	-177.3	-70.1	-59.4	0	0	0	112.6	F144 M148 L151 L153 S814 D815 R816 E820 Y821 A822 W826	F144-I818 HydrophobicContact CB-CD1 3.83Å; F144-I818 HydrophobicContact CB-CG1 4.41Å; F144-I818 HydrophobicContact CD1-CD1 3.85Å; F144-I818 HydrophobicContact CD1-CG1 4.09Å; F144-I818 HydrophobicContact CD2-CD1 3.91Å; F144-I818 HydrophobicContact CE1-CD1 4.35Å; F144-I818 HydrophobicContact CE2-CD1 4.41Å; F144-I818 HydrophobicContact CG-CD1 3.61Å; F144-I818 HydrophobicContact CG-CG1 4.27Å; M148-I818 HydrophobicContact CG-CD1 4.01Å; M148-I818 HydrophobicContact CG-CG1 4.24Å; M148-I818 HydrophobicContact CG-CG2 3.7Å; M148-I818 HydrophobicContact SD-CD1 4.49Å; L151-I818 HydrophobicContact CD1-CB 3.89Å; L151-I818 HydrophobicContact CD1-CG2 3.56Å; L153-I818 HydrophobicContact CD1-CG2 3.53Å; S814-I818 WeakPolarHBondContact O-CB 3.31Å; S814-I818 WeakPolarHBondContact O-CG1 3.38Å; S814-I818 PolarHBondContact O-N 3.24Å; D815-I818 PolarHBondContact O-N 2.85Å; R816-I818 PolarHBondContact O-N 3.09Å; I818-E820 VanDerWaalsContact C-N 3.31Å; I818-E820 PolarHBondContact O-N 3.47Å; I818-Y821 PolarHBondContact O-N 3.15Å; I818-A822 WeakPolarHBondContact O-CB 3.3Å; I818-A822 PolarHBondContact O-N 3.12Å; I818-W826 HydrophobicContact CD1-CH2 3.96Å; I818-W826 HydrophobicContact CD1-CZ3 4.34Å; I818-W826 HydrophobicContact CG2-CZ3 4.42Å
819	K	98.1	Very high	97.7	Very high	82 Å²	82	35 Å²	35	36%	0.357	17%	0.17	S	C	.	.	H	α-helix	trans	-58.2	-44.7	171.6	-73.3	176.3	-177.8	-178.6	0	111.1	L151 D815 R816 T817 A822 Q823 P830	L151-K819 HydrophobicContact CD1-CG 3.92Å; L151-K819 HydrophobicContact CD2-CD 4.43Å; L151-K819 VanDerWaalsContact CD2-CE 3.41Å; L151-K819 HydrophobicContact CD2-CG 4.18Å; D815-K819 WeakPolarHBondContact O-CB 2.94Å; D815-K819 VanDerWaalsContact O-CG 3.24Å; D815-K819 WeakPolarHBondContact O-CG 3.46Å; D815-K819 PolarHBondContact O-N 3.43Å; R816-K819 PolarHBondContact O-N 2.89Å; T817-K819 PolarHBondContact O-N 3.26Å; K819-A822 PolarHBondContact O-N 3.38Å; K819-Q823 WeakPolarHBondContact O-CG 2.91Å; K819-Q823 PolarHBondContact O-N 2.81Å; K819-P830 HydrophobicContact CG-CG 3.94Å
820	E	98.3	Very high	97.4	Very high	62 Å²	62	36.7 Å²	36.7	29%	0.29	18%	0.181	S	C	.	.	H	α-helix	trans	-64.9	-41.1	177.3	-66	167.1	167.8	0	0	112.5	K483 R816 T817 I818 N824	K483-E820 HydrophobicContact CD-CB 3.5Å; K483-E820 VanDerWaalsContact CE-C 3.42Å; K483-E820 WeakPolarHBondContact CE-O 3.37Å; R816-E820 VanDerWaalsContact CD-CD 3.5Å; R816-E820 WeakPolarHBondContact CD-OE1 3.46Å; R816-E820 IonicContact NH1-OE1 3.07Å; R816-E820 IonicContact NH1-OE2 2.84Å; R816-E820 PolarHBondContact NH1-OE2 3.37Å; R816-E820 WeakPolarHBondContact O-CG 3.35Å; R816-E820 PolarHBondContact O-N 3.24Å; R816-E820 VanDerWaalsContact O-N 3.09Å; T817-E820 WeakPolarHBondContact O-CB 3.33Å; T817-E820 PolarHBondContact O-N 3.02Å; T817-E820 VanDerWaalsContact O-N 3.13Å; I818-E820 VanDerWaalsContact C-N 3.31Å; I818-E820 PolarHBondContact O-N 3.47Å; E820-N824 VanDerWaalsContact O-CB 3.24Å; E820-N824 WeakPolarHBondContact O-CB 3.46Å; E820-N824 PolarHBondContact O-N 2.93Å; E820-N824 PolarHBondContact O-ND2 3.26Å
821	Y	98.6	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-46.1	173.7	-86.6	-92	0	0	0	111.2	F144 T376 N454 K483 T817 I818 Q823 I825 W826	F144-Y821 HydrophobicContact CE2-CE2 4.16Å; F144-Y821 HydrophobicContact CZ-CE2 4.08Å; T376-Y821 PolarHBondContact OG1-OH 3.05Å; N454-Y821 PolarHBondContact ND2-OH 3.44Å; K483-Y821 HydrophobicContact CB-CD2 3.96Å; K483-Y821 HydrophobicContact CB-CE1 4.44Å; K483-Y821 HydrophobicContact CB-CE2 3.3Å; K483-Y821 HydrophobicContact CD-CD2 4.01Å; K483-Y821 HydrophobicContact CD-CE2 4.22Å; K483-Y821 HydrophobicContact CD-CG 4.33Å; K483-Y821 HydrophobicContact CG-CD1 4.37Å; K483-Y821 HydrophobicContact CG-CD2 3.87Å; K483-Y821 HydrophobicContact CG-CE1 4.12Å; K483-Y821 HydrophobicContact CG-CE2 3.62Å; K483-Y821 HydrophobicContact CG-CG 4.24Å; T817-Y821 HydrophobicContact CG2-CD2 3.76Å; T817-Y821 HydrophobicContact CG2-CE2 3.53Å; T817-Y821 VanDerWaalsContact O-CD2 3.3Å; T817-Y821 WeakPolarHBondContact O-CD2 3.27Å; T817-Y821 PolarHBondContact O-N 3.42Å; I818-Y821 PolarHBondContact O-N 3.15Å; Y821-Q823 PolarHBondContact O-N 2.9Å; Y821-I825 HydrophobicContact CD1-CD1 3.69Å; Y821-I825 HydrophobicContact CE1-CD1 3.96Å; Y821-I825 HydrophobicContact CG-CD1 4.44Å; Y821-I825 WeakPolarHBondContact O-CA 3.31Å; Y821-I825 WeakPolarHBondContact O-CB 3.48Å; Y821-I825 PolarHBondContact O-N 3.02Å; Y821-W826 HydrophobicContact CD1-CH2 4.25Å; Y821-W826 AromaticContact CD1-CZ2 3.63Å; Y821-W826 HydrophobicContact CD1-CZ2 3.63Å; Y821-W826 HydrophobicContact CG-CH2 4.08Å; Y821-W826 AromaticContact CG-CZ2 3.93Å; Y821-W826 HydrophobicContact CG-CZ2 3.93Å; Y821-W826 PolarHBondContact O-N 3.29Å
822	A	98.2	Very high	95.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-58.3	-48.2	-178.4	0	0	0	0	0	111.6	L153 I818 K819 W826 N827 V828 P830	L153-A822 HydrophobicContact CD1-CB 4.08Å; I818-A822 WeakPolarHBondContact O-CB 3.3Å; I818-A822 PolarHBondContact O-N 3.12Å; K819-A822 PolarHBondContact O-N 3.38Å; A822-W826 HydrophobicContact CB-CE3 4.28Å; A822-N827 WeakPolarHBondContact O-CA 3.42Å; A822-N827 PolarHBondContact O-N 3.28Å; A822-V828 CarbonylContact C-O 3.22Å; A822-V828 VanDerWaalsContact C-O 3.29Å; A822-V828 HydrophobicContact CB-CG2 3.77Å; A822-V828 WeakPolarHBondContact CB-O 3.38Å; A822-V828 PolarHBondContact O-N 3.03Å; A822-P830 HydrophobicContact CB-CG 4.46Å
823	Q	96.8	Very high	95	Very high	94 Å²	94	47.7 Å²	47.7	44%	0.439	24%	0.244	S	C	.	.	I	π-helix	trans	-78.3	-46.4	-176.9	-68	173.7	-27.2	0	0	112.9	K819 Y821	K819-Q823 WeakPolarHBondContact O-CG 2.91Å; K819-Q823 PolarHBondContact O-N 2.81Å; Y821-Q823 PolarHBondContact O-N 2.9Å
824	N	97.4	Very high	94.3	Very high	90 Å²	90	53.7 Å²	53.7	48%	0.481	27%	0.27	S	S	.	.	I	π-helix	trans	-95	-9	-167.8	-57.8	-46.7	0	0	0	114.5	Q481 E820	Q481-N824 PolarHBondContact NE2-O 3.42Å; Q481-N824 VanDerWaalsContact NE2-O 3.16Å; E820-N824 VanDerWaalsContact O-CB 3.24Å; E820-N824 WeakPolarHBondContact O-CB 3.46Å; E820-N824 PolarHBondContact O-N 2.93Å; E820-N824 PolarHBondContact O-ND2 3.26Å
825	I	98.1	Very high	93.5	Very high	11 Å²	11	54.4 Å²	54.4	6%	0.056	27%	0.274	C	S	.	.	I	π-helix	trans	-128.3	-58.6	-177.6	-52.2	-171.5	0	0	0	110.2	A374 H451 T452 K483 Y821	A374-I825 HydrophobicContact CB-CG2 3.4Å; A374-I825 VanDerWaalsContact CB-CG2 3.4Å; H451-I825 PolarHBondContact NE2-O 3.39Å; T452-I825 HydrophobicContact CG2-CD1 3.87Å; T452-I825 HydrophobicContact CG2-CG1 3.99Å; T452-I825 HydrophobicContact CG2-CG2 4.25Å; K483-I825 HydrophobicContact CG-CD1 4.09Å; Y821-I825 HydrophobicContact CD1-CD1 3.69Å; Y821-I825 HydrophobicContact CE1-CD1 3.96Å; Y821-I825 HydrophobicContact CG-CD1 4.44Å; Y821-I825 WeakPolarHBondContact O-CA 3.31Å; Y821-I825 WeakPolarHBondContact O-CB 3.48Å; Y821-I825 PolarHBondContact O-N 3.02Å
826	W	98.3	Very high	92.5	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.008	30%	0.295	C	S	.	.	I	π-helix	trans	-82.7	-17.7	-171.2	-54.6	-29.7	0	0	0	113.8	K81 V83 M148 A335 Q337 I818 Y821 A822 V828	K81-W826 WeakPolarHBondContact CD-O 3.4Å; K81-W826 WeakPolarHBondContact CE-O 3.44Å; K81-W826 PolarHBondContact NZ-O 3.43Å; V83-W826 HydrophobicContact CB-CE3 4.36Å; V83-W826 HydrophobicContact CG1-CD2 3.7Å; V83-W826 HydrophobicContact CG1-CE3 3.74Å; V83-W826 HydrophobicContact CG1-CG 4.31Å; V83-W826 HydrophobicContact CG1-CH2 4.05Å; V83-W826 HydrophobicContact CG1-CZ2 4.02Å; V83-W826 HydrophobicContact CG1-CZ3 3.92Å; V83-W826 HydrophobicContact CG2-CB 4.07Å; V83-W826 HydrophobicContact CG2-CD2 3.96Å; V83-W826 HydrophobicContact CG2-CE3 3.76Å; V83-W826 HydrophobicContact CG2-CG 4.1Å; M148-W826 HydrophobicContact SD-CH2 4.07Å; M148-W826 HydrophobicContact SD-CZ3 4.09Å; A335-W826 HydrophobicContact CB-CB 4.1Å; A335-W826 HydrophobicContact CB-CG 4.2Å; Q337-W826 HydrophobicContact CB-CZ2 4.18Å; Q337-W826 HydrophobicContact CG-CZ2 4.19Å; I818-W826 HydrophobicContact CD1-CH2 3.96Å; I818-W826 HydrophobicContact CD1-CZ3 4.34Å; I818-W826 HydrophobicContact CG2-CZ3 4.42Å; Y821-W826 HydrophobicContact CD1-CH2 4.25Å; Y821-W826 AromaticContact CD1-CZ2 3.63Å; Y821-W826 HydrophobicContact CD1-CZ2 3.63Å; Y821-W826 HydrophobicContact CG-CH2 4.08Å; Y821-W826 AromaticContact CG-CZ2 3.93Å; Y821-W826 HydrophobicContact CG-CZ2 3.93Å; Y821-W826 PolarHBondContact O-N 3.29Å; A822-W826 HydrophobicContact CB-CE3 4.28Å; W826-V828 HydrophobicContact CB-CG1 4.45Å; W826-V828 HydrophobicContact CB-CG2 4.04Å; W826-V828 HydrophobicContact CE3-CG2 4.41Å
827	N	96.6	Very high	91.1	Very high	121 Å²	121	58.8 Å²	58.8	65%	0.647	31%	0.306	S	S	*	.			trans	54.8	53.5	-174	-166.4	32.5	0	0	0	111.8	A822	A822-N827 WeakPolarHBondContact O-CA 3.42Å; A822-N827 PolarHBondContact O-N 3.28Å
828	V	95.7	Very high	89.1	Confident	17 Å²	17	61.9 Å²	61.9	10%	0.103	33%	0.327	C	S	.	.			trans	-130.5	142.7	174.8	-58.8	0	0	0	0	109.7	K81 V83 L153 A822 W826	K81-V828 HydrophobicContact CB-CG1 3.86Å; K81-V828 HydrophobicContact CD-CG1 3.9Å; K81-V828 HydrophobicContact CG-CG1 3.9Å; V83-V828 HydrophobicContact CG2-CG1 4.34Å; V83-V828 HydrophobicContact CG2-CG2 4.05Å; L153-V828 HydrophobicContact CD2-CG2 3.95Å; A822-V828 CarbonylContact C-O 3.22Å; A822-V828 VanDerWaalsContact C-O 3.29Å; A822-V828 HydrophobicContact CB-CG2 3.77Å; A822-V828 WeakPolarHBondContact CB-O 3.38Å; A822-V828 PolarHBondContact O-N 3.03Å; W826-V828 HydrophobicContact CB-CG1 4.45Å; W826-V828 HydrophobicContact CB-CG2 4.04Å; W826-V828 HydrophobicContact CE3-CG2 4.41Å
829	E	92.2	Very high	86.6	Confident	130 Å²	130	69.2 Å²	69.2	61%	0.607	37%	0.366	S	S	*	.			trans	-95.8	129.4	-179.1	-69.5	-59.5	152.2	0	0	111.6
830	P	90.6	Very high	83.6	Confident	36 Å²	36	73 Å²	73	23%	0.234	39%	0.385	C	S	.	.			trans	-55.1	150.3	166.2	-23.5	33.7	0	0	0	112.2	L151 K819 A822	L151-P830 HydrophobicContact CB-CB 4.27Å; L151-P830 HydrophobicContact CD2-CB 4.35Å; K819-P830 HydrophobicContact CG-CG 3.94Å; A822-P830 HydrophobicContact CB-CG 4.46Å
831	S	85.1	Confident	80.5	Confident	51 Å²	51	74.8 Å²	74.8	36%	0.357	41%	0.405	S	S	.	.			trans	-137.9	133.7	179	-169.5	0	0	0	0	112.3	L151 L833	L151-S831 CarbonylContact C-O 3.57Å; L151-S831 PolarHBondContact O-N 2.64Å; S831-L833 VanDerWaalsContact C-N 3.27Å; S831-L833 VanDerWaalsContact OG-CB 3.29Å; S831-L833 WeakPolarHBondContact OG-CB 3.42Å; S831-L833 PolarHBondContact OG-N 3.43Å
832	D	79.3	Confident	77.3	Confident	146 Å²	146	82.2 Å²	82.2	78%	0.781	44%	0.444	S	S	*	.			trans	-88.6	6.8	170.3	-65.4	-42.2	0	0	0	112.7	K834	D832-K834 PolarHBondContact O-N 2.92Å; D832-K834 VanDerWaalsContact O-N 3.13Å
833	L	80.9	Confident	74.2	Confident	103 Å²	103	90.9 Å²	90.9	54%	0.539	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-64.9	116.2	-177.8	-173	133.8	0	0	0	110.4	S831 I835	S831-L833 VanDerWaalsContact C-N 3.27Å; S831-L833 VanDerWaalsContact OG-CB 3.29Å; S831-L833 WeakPolarHBondContact OG-CB 3.42Å; S831-L833 PolarHBondContact OG-N 3.43Å; L833-I835 PolarHBondContact O-N 3.06Å
834	K	83.5	Confident	71.2	Confident	130 Å²	130	92.7 Å²	92.7	57%	0.565	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-76.7	120	172.9	-65.4	-171.2	179.3	177.7	0	109.7	M235 N236 D832 S836	M235-K834 WeakPolarHBondContact O-CE 3.49Å; N236-K834 WeakPolarHBondContact O-CA 3.45Å; D832-K834 PolarHBondContact O-N 2.92Å; D832-K834 VanDerWaalsContact O-N 3.13Å; K834-S836 PolarHBondContact O-N 2.9Å
835	I	81.4	Confident	68	Low	16 Å²	16	95.8 Å²	95.8	8%	0.082	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-65.1	127.7	173.2	-59.6	178.8	0	0	0	108.2	R70 T71 N236 N237 L833	R70-I835 HydrophobicContact CB-CG2 4.21Å; T71-I835 HydrophobicContact CG2-CD1 4.06Å; T71-I835 WeakPolarHBondContact OG1-CD1 3.2Å; N236-I835 PolarHBondContact O-N 3.21Å; N237-I835 HydrophobicContact CB-CB 4.41Å; N237-I835 WeakPolarHBondContact CB-O 3.49Å; N237-I835 PolarHBondContact ND2-O 3.45Å; N237-I835 VanDerWaalsContact ND2-O 3.08Å; L833-I835 PolarHBondContact O-N 3.06Å
836	S	78.4	Confident	65	Low	67 Å²	67	98.1 Å²	98.1	47%	0.469	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-60.7	141.7	-177.3	-174.4	0	0	0	0	111.8	R70 K834 S838	R70-S836 WeakPolarHBondContact CD-O 3.19Å; R70-S836 PolarHBondContact NE-O 3.42Å; K834-S836 PolarHBondContact O-N 2.9Å; S836-S838 PolarHBondContact OG-N 3.47Å; S836-S838 PolarHBondContact OG-OG 3.41Å
837	L	68.8	Low	61.8	Low	77 Å²	77	109.5 Å²	109.5	40%	0.403	60%	0.604	S	S	.	*			trans	-91.6	-16.1	172.8	-64.8	174.7	0	0	0	112.7	R67 N237	R67-L837 HydrophobicContact CG-CD2 3.8Å; N237-L837 HydrophobicContact CB-CD2 4.24Å
838	S	56.4	Low	60.1	Low	65 Å²	65	109 Å²	109	46%	0.455	60%	0.602	S	S	.	*	S	Bend	trans	-82.9	144.4	179.9	61.1	0	0	0	0	112	S836 E840	S836-S838 PolarHBondContact OG-N 3.47Å; S836-S838 PolarHBondContact OG-OG 3.41Å; S838-E840 PolarHBondContact O-N 2.95Å
839	N	46	Very low	58.2	Low	153 Å²	153	113.8 Å²	113.8	82%	0.818	63%	0.628	S	S	*	*			trans	-78.4	8.4	172.5	-85.7	-6.3	0	0	0	113.1	S841	N839-S841 VanDerWaalsContact C-N 3.35Å; N839-S841 PolarHBondContact O-N 2.82Å
840	E	35.3	Very low	56.3	Low	161 Å²	161	112.9 Å²	112.9	75%	0.752	63%	0.629	S	S	*	*			trans	-73.2	96.7	177.6	-72.6	-170.3	161.5	0	0	108.7	S838 N842	S838-E840 PolarHBondContact O-N 2.95Å; E840-N842 PolarHBondContact O-N 3.45Å
841	S	32.3	Very low	54.3	Low	100 Å²	100	117.4 Å²	117.4	70%	0.699	65%	0.652	S	S	*	*			trans	-41.2	113.4	149.7	52.9	0	0	0	0	106.9	N839 K843	N839-S841 VanDerWaalsContact C-N 3.35Å; N839-S841 PolarHBondContact O-N 2.82Å; S841-K843 PolarHBondContact O-N 2.8Å
842	N	32.8	Very low	52.3	Low	156 Å²	156	121.6 Å²	121.6	83%	0.834	67%	0.671	S	S	*	*			trans	-52.2	99.8	164.5	-85.9	-22	0	0	0	106.3	E840 V844	E840-N842 PolarHBondContact O-N 3.45Å; N842-V844 VanDerWaalsContact C-N 3.3Å; N842-V844 PolarHBondContact O-N 3.41Å
843	K	32.2	Very low	50.5	Low	182 Å²	182	119.9 Å²	119.9	79%	0.791	66%	0.663	S	S	*	*			trans	-56.6	109.6	155	-83.6	-176.2	176.4	178.3	0	103.5	S841 N845	S841-K843 PolarHBondContact O-N 2.8Å; K843-N845 VanDerWaalsContact C-N 3.25Å; K843-N845 PolarHBondContact O-N 3.01Å
844	V	34.1	Very low	48.4	Very low	132 Å²	132	121.1 Å²	121.1	80%	0.8	67%	0.672	S	S	*	*			trans	-51.3	101.3	161.9	176.1	0	0	0	0	105	N842 G846	N842-V844 VanDerWaalsContact C-N 3.3Å; N842-V844 PolarHBondContact O-N 3.41Å; V844-G846 PolarHBondContact O-N 2.92Å
845	N	29.8	Very low	45.7	Very low	156 Å²	156	120.5 Å²	120.5	83%	0.834	68%	0.68	S	S	*	*			trans	-68.5	95	162	-84.2	-14	0	0	0	104.9	K843 N847	K843-N845 VanDerWaalsContact C-N 3.25Å; K843-N845 PolarHBondContact O-N 3.01Å; N845-N847 PolarHBondContact O-N 3.12Å
846	G	35	Very low	42.7	Very low	60 Å²	60	129.2 Å²	129.2	62%	0.619	73%	0.73	S	S	*	*			trans	-60.9	124.6	159	0	0	0	0	0	108.2	V844	V844-G846 PolarHBondContact O-N 2.92Å
847	N	31.4	Very low	39.5	Very low	241 Å²	241	134.8 Å²	134.8	100%	1.289	75%	0.754	S	S	*	*			trans	-143.6	0	137.8	-94.4	-12.9	0	0	0	107.2	N845	N845-N847 PolarHBondContact O-N 3.12Å

Retrieved 847 of 847 residues in 369.5 ms (Link to these results)

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