A0A087YEY4_POEFO 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 , UniProt , Accession A0A087YEY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 853 aa.

						>A0A087YEY4_POEFO|A0A087YEY4
MATPLTDQEKRKQISIRGIVGVENVAELKKGFNRHLHFTLVKDRNIATPRDYYFALAHTVRDHLVGRWIRTQQFYYEADPKRVYYLSLEFYMGRTLQNTMINLGLQNACDEAIYQLGLDMEELEEVEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEYGIFNQKIRDGWQVEEADDWLRHGNPWEKARPEYMLPVHFYGRVEETRDGPKWVDTQVVLAMPYDTPIPGYMNNTVNTMRLWSARAPNDFNLKDFNVGDYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKTTKKGRPSRTTFDAFPDKVAIQLNDTHPAMAIPELMRIYLDIEKLDWETAWDLTRRTFAYTNHTILPEALERWPVELLEKLLPRHLQIIYQINQAHLDKIAALFPNDIDKLRKMSLIEEDGCKRVNMAHLCIVGSHAVNGVAQIHSNIIKTEVFKDFSDLEPDKFQNKTNGITPRRWLLLCNPGLAELIAEVIGEDYVKDLSQLKKLNDFVNDLAFIRDVAKIKQDNKLKFAQILEKEYRVKINPSSMFDVHVKRIHEYKRQLLNCLHIITLYNCIRKNPNVPFVPRTVIIGGKAAPGYHMAKMIIKLITSVADVVNNDPVVGDKLKVIFLENYRVSLAEKVIPATDLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENLFIFGMRVEDVAEMDKKGYDAMTYYEKIPELKQVMDQIASGFFSPKNPELFKDLTNMLFKYDRFKVFADFEDYLKTQEKVSELYQDTVEWTKMVIKNIAATGKFSSDRTIREYATEVWGVEPTDLKIPPPSEPREAIEETVKALKKM
					

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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	31.5	Very low	39.1	Very low	246 Å²	246	129.4 Å²	129.4	100%	1.212	68%	0.683	S	S	*	*				0	117.1	0	-69.7	-174	-127.6	0	0	106.3
2	A	31.8	Very low	39.5	Very low	104 Å²	104	133 Å²	133	86%	0.86	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-67.3	133.9	172.2	0	0	0	0	0	108.3
3	T	30.3	Very low	40.1	Very low	125 Å²	125	132.1 Å²	132.1	77%	0.767	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-54.8	138.4	173.7	-34.8	0	0	0	0	109	L5	T3-L5 PolarHBondContact O-N 3.34Å
4	P	35.6	Very low	41	Very low	111 Å²	111	125.4 Å²	125.4	72%	0.721	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-56.1	132.7	173.1	-20.1	30.5	0	0	0	109.4	T6	P4-T6 PolarHBondContact O-N 2.89Å; P4-T6 VanDerWaalsContact O-N 3.14Å
5	L	41.5	Very low	41.7	Very low	111 Å²	111	121.2 Å²	121.2	58%	0.581	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-53.9	122	172.7	-68.7	165.3	0	0	0	108.2	T3 E9 K10	T3-L5 PolarHBondContact O-N 3.34Å; L5-E9 WeakPolarHBondContact CA-OE2 3.39Å; L5-E9 HydrophobicContact CB-CB 4.18Å; L5-E9 HydrophobicContact CD2-CB 3.85Å; L5-E9 HydrophobicContact CD2-CG 4.47Å; L5-K10 HydrophobicContact CB-CG 4.3Å
6	T	48.6	Very low	42.2	Very low	73 Å²	73	114.4 Å²	114.4	45%	0.448	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-59.7	154.7	173.6	57.9	0	0	0	0	109.6	P4 Q8 E9 K10	P4-T6 PolarHBondContact O-N 2.89Å; P4-T6 VanDerWaalsContact O-N 3.14Å; T6-Q8 PolarHBondContact O-N 3.14Å; T6-E9 PolarHBondContact N-OE2 2.81Å; T6-E9 PolarHBondContact O-N 3.36Å; T6-E9 WeakPolarHBondContact OG1-CG 3.32Å; T6-E9 PolarHBondContact OG1-N 2.98Å; T6-E9 PolarHBondContact OG1-OE2 3.04Å; T6-K10 PolarHBondContact O-N 2.99Å
7	D	45.1	Very low	42.8	Very low	85 Å²	85	110.7 Å²	110.7	46%	0.455	57%	0.572	S	S	.	*	H	α-helix	trans	-52.9	-25.8	173.5	-86.4	-11.9	0	0	0	112	R11	D7-R11 WeakPolarHBondContact O-CB 3.32Å; D7-R11 VanDerWaalsContact O-CD 3.32Å; D7-R11 WeakPolarHBondContact O-CD 3.17Å; D7-R11 WeakPolarHBondContact O-CG 3.03Å; D7-R11 PolarHBondContact O-N 2.91Å
8	Q	34.5	Very low	43.4	Very low	161 Å²	161	106.6 Å²	106.6	75%	0.752	56%	0.561	S	S	*	*	H	α-helix	trans	-73.7	-35.2	176.4	-140.1	172.9	0.9	0	0	113.2	T6 R11 K12	T6-Q8 PolarHBondContact O-N 3.14Å; Q8-R11 CarbonylContact O-C 3.48Å; Q8-R11 PolarHBondContact O-N 2.81Å; Q8-K12 PolarHBondContact O-N 3.33Å
9	E	45.2	Very low	44.1	Very low	103 Å²	103	110.2 Å²	110.2	48%	0.481	58%	0.578	S	S	.	*	H	α-helix	trans	-76.1	-32	174.6	-70.7	164.2	131.7	0	0	111.8	L5 T6 R11	L5-E9 WeakPolarHBondContact CA-OE2 3.39Å; L5-E9 HydrophobicContact CB-CB 4.18Å; L5-E9 HydrophobicContact CD2-CB 3.85Å; L5-E9 HydrophobicContact CD2-CG 4.47Å; T6-E9 PolarHBondContact N-OE2 2.81Å; T6-E9 PolarHBondContact O-N 3.36Å; T6-E9 WeakPolarHBondContact OG1-CG 3.32Å; T6-E9 PolarHBondContact OG1-N 2.98Å; T6-E9 PolarHBondContact OG1-OE2 3.04Å; E9-R11 VanDerWaalsContact C-N 3.3Å
10	K	44.9	Very low	44.7	Very low	148 Å²	148	106.3 Å²	106.3	64%	0.643	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-33.3	166.6	-67.5	-175.8	178.3	-176.3	0	112.2	L5 T6 K12	L5-K10 HydrophobicContact CB-CG 4.3Å; T6-K10 PolarHBondContact O-N 2.99Å; K10-K12 PolarHBondContact O-N 2.69Å
11	R	41.4	Very low	45.4	Very low	156 Å²	156	102.7 Å²	102.7	59%	0.589	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	13.5	-179.7	-76	172.8	-171.3	-173.3	6.2	114.9	D7 Q8 E9 Q13	D7-R11 WeakPolarHBondContact O-CB 3.32Å; D7-R11 VanDerWaalsContact O-CD 3.32Å; D7-R11 WeakPolarHBondContact O-CD 3.17Å; D7-R11 WeakPolarHBondContact O-CG 3.03Å; D7-R11 PolarHBondContact O-N 2.91Å; Q8-R11 CarbonylContact O-C 3.48Å; Q8-R11 PolarHBondContact O-N 2.81Å; E9-R11 VanDerWaalsContact C-N 3.3Å; R11-Q13 PolarHBondContact O-N 3.49Å
12	K	43.3	Very low	46.7	Very low	173 Å²	173	97 Å²	97	75%	0.752	53%	0.527	S	S	*	.			trans	-63.9	84.5	161.1	-82.6	-167.1	175	-169.3	0	107.5	Q8 K10 I14	Q8-K12 PolarHBondContact O-N 3.33Å; K10-K12 PolarHBondContact O-N 2.69Å; K12-I14 PolarHBondContact O-N 3.38Å
13	Q	47.1	Very low	47.9	Very low	121 Å²	121	100.1 Å²	100.1	57%	0.565	52%	0.523	S	S	*	.			trans	-64.4	107.2	173	-76.7	-176.3	-13.8	0	0	106.4	R11 S15	R11-Q13 PolarHBondContact O-N 3.49Å; Q13-S15 PolarHBondContact O-N 3.33Å
14	I	53	Low	50.1	Low	38 Å²	38	97.9 Å²	97.9	20%	0.195	51%	0.507	C	S	.	.			trans	-63.3	120.5	178.3	-63.7	178.9	0	0	0	107.3	K12 I16 R17 N107 P496 E500	K12-I14 PolarHBondContact O-N 3.38Å; I14-I16 VanDerWaalsContact C-N 3.3Å; I14-I16 PolarHBondContact O-N 3.4Å; I14-R17 HydrophobicContact CB-CG 4.21Å; I14-R17 HydrophobicContact CG2-CG 4Å; I14-R17 PolarHBondContact O-N 3.27Å; I14-R17 VanDerWaalsContact O-N 3.14Å; I14-N107 PolarHBondContact O-ND2 2.91Å; I14-P496 HydrophobicContact CD1-CB 4.2Å; I14-E500 HydrophobicContact CG2-CB 4.01Å; I14-E500 HydrophobicContact CG2-CG 4.08Å; I14-E500 WeakPolarHBondContact CG2-OE2 3.43Å
15	S	51.2	Low	52.7	Low	63 Å²	63	93 Å²	93	44%	0.441	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-63.5	-35	-171.2	65.6	0	0	0	0	112.3	Q13 R17 G18 E500	Q13-S15 PolarHBondContact O-N 3.33Å; S15-R17 PolarHBondContact O-N 3.19Å; S15-G18 PolarHBondContact O-N 3.4Å; S15-E500 VanDerWaalsContact CB-OE1 3.29Å; S15-E500 WeakPolarHBondContact CB-OE1 3.45Å; S15-E500 PolarHBondContact N-OE1 3.22Å; S15-E500 PolarHBondContact N-OE2 2.94Å; S15-E500 PolarHBondContact OG-OE1 3.23Å; S15-E500 PolarHBondContact OG-OE2 3.18Å
16	I	49.5	Very low	55	Low	12 Å²	12	90.7 Å²	90.7	6%	0.062	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-61.9	-21.4	178.2	-57	162.8	0	0	0	112.7	I14 G18 L492 A499 E500 A503 E508	I14-I16 VanDerWaalsContact C-N 3.3Å; I14-I16 PolarHBondContact O-N 3.4Å; I16-G18 PolarHBondContact O-N 3.49Å; I16-L492 HydrophobicContact CB-CD1 4.32Å; I16-L492 HydrophobicContact CG2-CD1 3.45Å; I16-L492 VanDerWaalsContact CG2-CD1 3.45Å; I16-L492 HydrophobicContact CG2-CD2 4.41Å; I16-A499 HydrophobicContact CD1-CB 3.94Å; I16-A499 WeakPolarHBondContact CD1-O 3.45Å; I16-E500 HydrophobicContact CD1-CB 4.3Å; I16-E500 VanDerWaalsContact CD1-N 3.32Å; I16-E500 WeakPolarHBondContact CD1-OE2 3.49Å; I16-E500 WeakPolarHBondContact CG1-OE2 3.31Å; I16-E500 PolarHBondContact N-OE2 2.77Å; I16-A503 HydrophobicContact CD1-CB 3.49Å; I16-A503 VanDerWaalsContact CD1-CB 3.49Å; I16-A503 HydrophobicContact CG1-CB 3.49Å; I16-A503 VanDerWaalsContact CG1-CB 3.49Å; I16-E508 WeakPolarHBondContact CA-OE1 3.31Å; I16-E508 HydrophobicContact CG1-CG 4.1Å
17	R	52.9	Low	57	Low	52 Å²	52	92.9 Å²	92.9	20%	0.196	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-86.1	5.8	-178.7	-63.6	-179.4	177.9	-175.7	-4.6	113.3	I14 S15 N107 P496	I14-R17 HydrophobicContact CB-CG 4.21Å; I14-R17 HydrophobicContact CG2-CG 4Å; I14-R17 PolarHBondContact O-N 3.27Å; I14-R17 VanDerWaalsContact O-N 3.14Å; S15-R17 PolarHBondContact O-N 3.19Å; R17-N107 HydrophobicContact CB-CB 4.3Å; R17-N107 WeakPolarHBondContact CB-ND2 3.49Å; R17-N107 WeakPolarHBondContact CB-OD1 3.24Å; R17-N107 VanDerWaalsContact CD-OD1 3.24Å; R17-N107 WeakPolarHBondContact CD-OD1 3.44Å; R17-N107 WeakPolarHBondContact O-CB 3.49Å; R17-N107 PolarHBondContact O-ND2 3.44Å; R17-N107 VanDerWaalsContact O-ND2 3.16Å; R17-P496 VanDerWaalsContact NH2-CB 3.32Å
18	G	53.5	Low	59.3	Low	36 Å²	36	89.2 Å²	89.2	37%	0.371	46%	0.457	S	S	.	.			trans	86.1	158.2	171.3	0	0	0	0	0	115	S15 I16 N107	S15-G18 PolarHBondContact O-N 3.4Å; I16-G18 PolarHBondContact O-N 3.49Å; G18-N107 PolarHBondContact O-ND2 3.24Å
19	I	56.4	Low	62.2	Low	175 Å²	175	84.1 Å²	84.1	90%	0.897	43%	0.433	S	S	*	.			trans	-75.2	126.6	177	-57.9	175.3	0	0	0	109.7	G21	I19-G21 PolarHBondContact O-N 3.24Å
20	V	57.1	Low	64.6	Low	33 Å²	33	87 Å²	87	20%	0.2	44%	0.444	C	S	.	.			trans	-75.9	106.7	179.8	-176.7	0	0	0	0	110.6	V25 N107 E111	V20-V25 HydrophobicContact CG1-CG2 3.26Å; V20-N107 HydrophobicContact CG2-CB 3.55Å; V20-E111 HydrophobicContact CG1-CB 4.42Å; V20-E111 HydrophobicContact CG1-CG 4.46Å
21	G	60	Low	67	Low	30 Å²	30	80.5 Å²	80.5	31%	0.309	42%	0.419	S	S	.	.			trans	-73.5	129.9	168.8	0	0	0	0	0	111.7	I19 E23 N24 V25	I19-G21 PolarHBondContact O-N 3.24Å; G21-E23 VanDerWaalsContact C-N 3.26Å; G21-E23 PolarHBondContact O-N 3.44Å; G21-N24 WeakPolarHBondContact O-CB 3.49Å; G21-N24 PolarHBondContact O-N 3.31Å; G21-N24 VanDerWaalsContact O-N 3.13Å; G21-V25 PolarHBondContact O-N 3.15Å
22	V	57	Low	69.7	Low	128 Å²	128	73.3 Å²	73.3	78%	0.776	39%	0.392	S	S	*	.	H	α-helix	trans	-58.2	-38	-179.6	178.8	0	0	0	0	112.1	N24 V25 A26	V22-N24 PolarHBondContact O-N 2.89Å; V22-V25 PolarHBondContact O-N 3.41Å; V22-A26 PolarHBondContact O-N 3Å
23	E	57.3	Low	72.2	Confident	168 Å²	168	67.6 Å²	67.6	79%	0.785	37%	0.369	S	S	*	.	H	α-helix	trans	-65.1	-37.7	178.8	-64.9	-176.8	166.1	0	0	112.1	G21 A26 E27	G21-E23 VanDerWaalsContact C-N 3.26Å; G21-E23 PolarHBondContact O-N 3.44Å; E23-A26 PolarHBondContact O-N 2.93Å; E23-E27 PolarHBondContact O-N 2.91Å; E23-E27 VanDerWaalsContact O-N 3.13Å
24	N	78	Confident	74.6	Confident	78 Å²	78	67.4 Å²	67.4	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-66.3	-41.5	178.3	-69.2	-13.7	0	0	0	111.9	G21 V22 A26 E27 L28 A108	G21-N24 WeakPolarHBondContact O-CB 3.49Å; G21-N24 PolarHBondContact O-N 3.31Å; G21-N24 VanDerWaalsContact O-N 3.13Å; V22-N24 PolarHBondContact O-N 2.89Å; N24-A26 PolarHBondContact O-N 3.12Å; N24-E27 PolarHBondContact O-N 2.73Å; N24-L28 WeakPolarHBondContact O-CB 3.33Å; N24-L28 VanDerWaalsContact O-CG 3.27Å; N24-L28 WeakPolarHBondContact O-CG 3.37Å; N24-L28 PolarHBondContact O-N 3.48Å; N24-A108 HydrophobicContact CB-CB 4.47Å
25	V	88.3	Confident	76.8	Confident	9 Å²	9	66.3 Å²	66.3	6%	0.055	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-42.4	180	177.7	0	0	0	0	111.1	V20 G21 V22 L28 K29 E111 A112	V20-V25 HydrophobicContact CG1-CG2 3.26Å; G21-V25 PolarHBondContact O-N 3.15Å; V22-V25 PolarHBondContact O-N 3.41Å; V25-L28 PolarHBondContact O-N 3.31Å; V25-K29 HydrophobicContact CG1-CD 4.03Å; V25-K29 VanDerWaalsContact O-CG 3.3Å; V25-K29 WeakPolarHBondContact O-CG 3.5Å; V25-K29 PolarHBondContact O-N 3.39Å; V25-E111 HydrophobicContact CG1-CG 4.16Å; V25-E111 HydrophobicContact CG2-CB 4.28Å; V25-E111 HydrophobicContact CG2-CG 4.11Å; V25-A112 HydrophobicContact CG1-CB 4.12Å
26	A	89.7	Confident	79	Confident	63 Å²	63	63.5 Å²	63.5	52%	0.521	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-41.7	177.4	0	0	0	0	0	111.9	V22 E23 N24 K30	V22-A26 PolarHBondContact O-N 3Å; E23-A26 PolarHBondContact O-N 2.93Å; N24-A26 PolarHBondContact O-N 3.12Å; A26-K30 PolarHBondContact O-N 3.44Å; A26-K30 VanDerWaalsContact O-N 3.12Å
27	E	90.8	Very high	81.3	Confident	118 Å²	118	68 Å²	68	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-63.2	-47.7	175.9	-169.6	-176.9	-176.7	0	0	111.7	E23 N24 K29 K30 G31	E23-E27 PolarHBondContact O-N 2.91Å; E23-E27 VanDerWaalsContact O-N 3.13Å; N24-E27 PolarHBondContact O-N 2.73Å; E27-K29 PolarHBondContact O-N 3.13Å; E27-K30 WeakPolarHBondContact O-CB 3.23Å; E27-K30 PolarHBondContact O-N 3.34Å; E27-K30 VanDerWaalsContact O-N 3.11Å; E27-G31 PolarHBondContact O-N 2.77Å
28	L	93.7	Very high	83.4	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-59.9	-44.4	179.1	-72.9	170.3	0	0	0	112	N24 V25 K30 G31 F32 T59 A108 A112	N24-L28 WeakPolarHBondContact O-CB 3.33Å; N24-L28 VanDerWaalsContact O-CG 3.27Å; N24-L28 WeakPolarHBondContact O-CG 3.37Å; N24-L28 PolarHBondContact O-N 3.48Å; V25-L28 PolarHBondContact O-N 3.31Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.29Å; L28-G31 PolarHBondContact O-N 3.01Å; L28-F32 WeakPolarHBondContact O-CB 3.48Å; L28-F32 PolarHBondContact O-N 3.21Å; L28-T59 HydrophobicContact CD2-CG2 3.89Å; L28-A108 VanDerWaalsContact CD1-C 3.49Å; L28-A108 HydrophobicContact CD1-CB 3.56Å; L28-A112 HydrophobicContact CB-CB 3.95Å
29	K	95.8	Very high	85.5	Confident	55 Å²	55	74.3 Å²	74.3	24%	0.239	38%	0.383	C	S	.	.	H	α-helix	trans	-61.1	-39.7	175.4	-70.4	170.5	69	-179	0	111.8	V25 E27 N33 A112 Q115 L116	V25-K29 HydrophobicContact CG1-CD 4.03Å; V25-K29 VanDerWaalsContact O-CG 3.3Å; V25-K29 WeakPolarHBondContact O-CG 3.5Å; V25-K29 PolarHBondContact O-N 3.39Å; E27-K29 PolarHBondContact O-N 3.13Å; K29-N33 PolarHBondContact O-N 3.49Å; K29-N33 VanDerWaalsContact O-N 3.1Å; K29-N33 PolarHBondContact O-ND2 3.04Å; K29-A112 HydrophobicContact CG-CB 3.79Å; K29-Q115 HydrophobicContact CD-CB 4.23Å; K29-L116 HydrophobicContact CG-CD1 4.15Å; K29-L116 HydrophobicContact CG-CD2 4.4Å; K29-L116 HydrophobicContact CG-CG 4.17Å
30	K	95.2	Very high	87.4	Confident	163 Å²	163	67.9 Å²	67.9	71%	0.709	35%	0.35	S	S	*	.	H	α-helix	trans	-67.6	-43.9	177.1	-172	-179.7	178.9	-177.4	0	111.1	A26 E27 L28 N33 R34	A26-K30 PolarHBondContact O-N 3.44Å; A26-K30 VanDerWaalsContact O-N 3.12Å; E27-K30 WeakPolarHBondContact O-CB 3.23Å; E27-K30 PolarHBondContact O-N 3.34Å; E27-K30 VanDerWaalsContact O-N 3.11Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.29Å; K30-N33 PolarHBondContact O-N 3.49Å; K30-R34 VanDerWaalsContact O-CB 3.27Å; K30-R34 WeakPolarHBondContact O-CB 3.48Å; K30-R34 PolarHBondContact O-N 3.38Å
31	G	95.4	Very high	89.4	Confident	12 Å²	12	72 Å²	72	12%	0.124	38%	0.375	C	S	.	.	H	α-helix	trans	-57.9	-48.5	174.3	0	0	0	0	0	112	E27 L28 N33 R34 H35	E27-G31 PolarHBondContact O-N 2.77Å; L28-G31 PolarHBondContact O-N 3.01Å; G31-N33 PolarHBondContact O-N 3.48Å; G31-R34 WeakPolarHBondContact O-CB 3.41Å; G31-R34 PolarHBondContact O-N 3.06Å; G31-H35 PolarHBondContact O-CD2 3.13Å; G31-H35 PolarHBondContact O-N 3.49Å
32	F	97.8	Very high	91.1	Very high	4 Å²	4	73.2 Å²	73.2	2%	0.018	37%	0.372	C	S	.	.	H	α-helix	trans	-56.6	-53.7	177.4	-178.5	-85	0	0	0	112.1	L28 R34 H35 L36 Y52 A55 L56 T59 I113 L116 L118	L28-F32 WeakPolarHBondContact O-CB 3.48Å; L28-F32 PolarHBondContact O-N 3.21Å; F32-R34 VanDerWaalsContact C-N 3.28Å; F32-R34 PolarHBondContact O-N 3.17Å; F32-H35 PolarHBondContact O-N 3.16Å; F32-L36 HydrophobicContact CE1-CD2 4.41Å; F32-L36 WeakPolarHBondContact O-CB 3.49Å; F32-L36 PolarHBondContact O-N 3.38Å; F32-Y52 HydrophobicContact CE1-CD1 4.07Å; F32-Y52 VanDerWaalsContact CE2-O 3.31Å; F32-Y52 WeakPolarHBondContact CE2-O 3.5Å; F32-Y52 AromaticContact CZ-CD1 3.68Å; F32-Y52 HydrophobicContact CZ-CD1 3.68Å; F32-Y52 HydrophobicContact CZ-CG 4.21Å; F32-A55 HydrophobicContact CD2-CB 3.92Å; F32-A55 HydrophobicContact CE1-CB 4.41Å; F32-A55 HydrophobicContact CE2-CB 3.76Å; F32-A55 HydrophobicContact CG-CB 4.34Å; F32-A55 HydrophobicContact CZ-CB 4.03Å; F32-L56 HydrophobicContact CD2-CB 4.13Å; F32-L56 HydrophobicContact CE2-CB 4.03Å; F32-T59 VanDerWaalsContact CA-OG1 3.26Å; F32-T59 WeakPolarHBondContact CA-OG1 3.45Å; F32-T59 PolarHBondContact N-OG1 2.84Å; F32-I113 HydrophobicContact CD2-CD1 3.69Å; F32-I113 HydrophobicContact CE2-CD1 3.59Å; F32-I113 HydrophobicContact CG-CD1 4.46Å; F32-I113 HydrophobicContact CZ-CD1 4.3Å; F32-L116 HydrophobicContact CB-CD1 4.27Å; F32-L116 HydrophobicContact CD1-CD1 3.66Å; F32-L116 HydrophobicContact CE1-CD1 4.1Å; F32-L116 HydrophobicContact CG-CD1 3.92Å; F32-L118 HydrophobicContact CE1-CD1 4.26Å; F32-L118 HydrophobicContact CZ-CD1 3.71Å
33	N	97.1	Very high	92.8	Very high	53 Å²	53	70.4 Å²	70.4	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-33.9	179.7	-71.1	-65	0	0	0	112	K29 K30 G31 H37 R44	K29-N33 PolarHBondContact O-N 3.49Å; K29-N33 VanDerWaalsContact O-N 3.1Å; K29-N33 PolarHBondContact O-ND2 3.04Å; K30-N33 PolarHBondContact O-N 3.49Å; G31-N33 PolarHBondContact O-N 3.48Å; N33-H37 WeakPolarHBondContact O-CB 3.3Å; N33-H37 PolarHBondContact O-N 3.05Å; N33-R44 PolarHBondContact ND2-NH2 3.4Å; N33-R44 PolarHBondContact OD1-NE 2.85Å; N33-R44 PolarHBondContact OD1-NH2 2.88Å
34	R	97.8	Very high	94.5	Very high	118 Å²	118	68.2 Å²	68.2	45%	0.445	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-46.6	174.8	-176.2	-172.5	65.7	170.6	1.7	110.9	K30 G31 F32 H37 F38 D62	K30-R34 VanDerWaalsContact O-CB 3.27Å; K30-R34 WeakPolarHBondContact O-CB 3.48Å; K30-R34 PolarHBondContact O-N 3.38Å; G31-R34 WeakPolarHBondContact O-CB 3.41Å; G31-R34 PolarHBondContact O-N 3.06Å; F32-R34 VanDerWaalsContact C-N 3.28Å; F32-R34 PolarHBondContact O-N 3.17Å; R34-H37 PolarHBondContact O-N 2.87Å; R34-F38 HydrophobicContact CG-CD2 3.73Å; R34-F38 HydrophobicContact CG-CE2 4.28Å; R34-F38 WeakPolarHBondContact O-CB 3.44Å; R34-F38 WeakPolarHBondContact O-CD2 3.14Å; R34-F38 PolarHBondContact O-N 3.48Å; R34-D62 IonicContact CZ-OD2 3.84Å; R34-D62 IonicContact NH2-OD2 3.91Å; R34-D62 PolarHBondContact NH2-OD2 3.37Å
35	H	98.2	Very high	95.2	Very high	14 Å²	14	71.8 Å²	71.8	7%	0.065	36%	0.356	C	S	.	.	I	π-helix	trans	-69.5	-39.5	178.1	-74.4	-64.6	0	0	0	112.4	G31 F32 H37 T39 L40 A55 H58 D62	G31-H35 PolarHBondContact O-CD2 3.13Å; G31-H35 PolarHBondContact O-N 3.49Å; F32-H35 PolarHBondContact O-N 3.16Å; H35-H37 VanDerWaalsContact C-N 3.27Å; H35-H37 PolarHBondContact O-N 3.4Å; H35-T39 PolarHBondContact ND1-OG1 3.14Å; H35-T39 WeakPolarHBondContact O-CA 3.47Å; H35-T39 WeakPolarHBondContact O-CB 3.3Å; H35-T39 PolarHBondContact O-N 3.16Å; H35-L40 PolarHBondContact O-N 3.3Å; H35-A55 HydrophobicContact CB-CB 4.42Å; H35-H58 HydrophobicContact CB-CB 4.12Å; H35-D62 IonicContact CE1-OD2 3.57Å; H35-D62 IonicContact NE2-OD2 2.78Å; H35-D62 PolarHBondContact NE2-OD2 2.77Å
36	L	97.8	Very high	95.5	Very high	4 Å²	4	76 Å²	76	2%	0.021	38%	0.377	C	S	.	.	I	π-helix	trans	-56	-45	173.8	-172.8	65.4	0	0	0	111.3	F32 L40 V41 K42 R44 A47 D51 Y52 A55	F32-L36 HydrophobicContact CE1-CD2 4.41Å; F32-L36 WeakPolarHBondContact O-CB 3.49Å; F32-L36 PolarHBondContact O-N 3.38Å; L36-L40 HydrophobicContact CD1-CD1 4.21Å; L36-V41 PolarHBondContact O-N 3.32Å; L36-K42 HydrophobicContact CD1-CB 3.87Å; L36-K42 HydrophobicContact CG-CB 4.23Å; L36-K42 PolarHBondContact O-N 3.18Å; L36-R44 HydrophobicContact CD2-CG 4.18Å; L36-A47 HydrophobicContact CD1-CB 4.01Å; L36-D51 HydrophobicContact CD1-CB 4.24Å; L36-Y52 HydrophobicContact CD1-CD1 4.17Å; L36-Y52 HydrophobicContact CD1-CE1 4.31Å; L36-Y52 HydrophobicContact CD2-CD1 4.32Å; L36-Y52 HydrophobicContact CD2-CE1 3.93Å; L36-A55 HydrophobicContact CB-CB 4.13Å; L36-A55 HydrophobicContact CD1-CB 4.44Å
37	H	96.9	Very high	95.9	Very high	108 Å²	108	73.8 Å²	73.8	50%	0.5	36%	0.359	S	S	.	.	I	π-helix	trans	-78.2	-52	-177.6	-168	71.3	0	0	0	113.6	N33 R34 H35 V41	N33-H37 WeakPolarHBondContact O-CB 3.3Å; N33-H37 PolarHBondContact O-N 3.05Å; R34-H37 PolarHBondContact O-N 2.87Å; H35-H37 VanDerWaalsContact C-N 3.27Å; H35-H37 PolarHBondContact O-N 3.4Å; H37-V41 VanDerWaalsContact O-CA 3.29Å; H37-V41 WeakPolarHBondContact O-CA 3.24Å; H37-V41 PolarHBondContact O-N 2.61Å
38	F	97.7	Very high	96.2	Very high	153 Å²	153	71.1 Å²	71.1	67%	0.671	35%	0.351	S	S	*	.	I	π-helix	trans	-94.7	-29	-169.7	-65.3	-72.3	0	0	0	114.2	R34	R34-F38 HydrophobicContact CG-CD2 3.73Å; R34-F38 HydrophobicContact CG-CE2 4.28Å; R34-F38 WeakPolarHBondContact O-CB 3.44Å; R34-F38 WeakPolarHBondContact O-CD2 3.14Å; R34-F38 PolarHBondContact O-N 3.48Å
39	T	97	Very high	96.4	Very high	67 Å²	67	74.4 Å²	74.4	41%	0.411	37%	0.372	S	S	.	.	I	π-helix	trans	-90.1	-45.2	179.9	-52.7	0	0	0	0	111	H35	H35-T39 PolarHBondContact ND1-OG1 3.14Å; H35-T39 WeakPolarHBondContact O-CA 3.47Å; H35-T39 WeakPolarHBondContact O-CB 3.3Å; H35-T39 PolarHBondContact O-N 3.16Å
40	L	97.2	Very high	96.4	Very high	39 Å²	39	74.9 Å²	74.9	20%	0.204	37%	0.373	C	S	.	.	S	Bend	trans	-94.9	-12.7	-176.7	-56.8	173.8	0	0	0	113.5	H35 L36 K42 D51 F54 A55	H35-L40 PolarHBondContact O-N 3.3Å; L36-L40 HydrophobicContact CD1-CD1 4.21Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 HydrophobicContact CB-CG 4.06Å; L40-K42 PolarHBondContact O-N 3.02Å; L40-D51 HydrophobicContact CD1-CB 4.25Å; L40-D51 WeakPolarHBondContact CD1-O 3.45Å; L40-F54 HydrophobicContact CD1-CB 3.82Å; L40-F54 HydrophobicContact CD2-CB 3.68Å; L40-F54 HydrophobicContact CD2-CG 4.36Å; L40-F54 HydrophobicContact CG-CB 4.38Å; L40-A55 HydrophobicContact CD1-CB 3.97Å
41	V	97.8	Very high	96.6	Very high	119 Å²	119	68.2 Å²	68.2	72%	0.721	35%	0.345	S	S	*	.			trans	57.8	47.1	-179.5	-162.7	0	0	0	0	110.6	L36 H37	L36-V41 PolarHBondContact O-N 3.32Å; H37-V41 VanDerWaalsContact O-CA 3.29Å; H37-V41 WeakPolarHBondContact O-CA 3.24Å; H37-V41 PolarHBondContact O-N 2.61Å
42	K	95.9	Very high	96.7	Very high	57 Å²	57	69.2 Å²	69.2	25%	0.248	35%	0.345	C	S	.	.			trans	-124	148.7	-179.3	-65	-69.9	-176.1	149.6	0	111.4	L36 L40 I46 A47 D51	L36-K42 HydrophobicContact CD1-CB 3.87Å; L36-K42 HydrophobicContact CG-CB 4.23Å; L36-K42 PolarHBondContact O-N 3.18Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 HydrophobicContact CB-CG 4.06Å; L40-K42 PolarHBondContact O-N 3.02Å; K42-I46 HydrophobicContact CD-CD1 3.96Å; K42-I46 HydrophobicContact CD-CG1 4.12Å; K42-A47 HydrophobicContact CB-CB 4.42Å; K42-D51 VanDerWaalsContact CE-OD1 3.32Å; K42-D51 WeakPolarHBondContact CE-OD1 3.37Å; K42-D51 HydrophobicContact CG-CB 4.31Å; K42-D51 IonicContact NZ-OD1 3.26Å; K42-D51 IonicContact NZ-OD2 2.9Å; K42-D51 PolarHBondContact NZ-OD2 3.41Å
43	D	93.7	Very high	96.7	Very high	69 Å²	69	69.4 Å²	69.4	37%	0.369	35%	0.346	S	S	.	.			trans	-106.2	167.2	159	73.1	77.1	0	0	0	110.2	N45 I46 A47	D43-N45 PolarHBondContact O-N 3.01Å; D43-N45 WeakPolarHBondContact OD1-CA 2.97Å; D43-N45 WeakPolarHBondContact OD1-CB 3.39Å; D43-N45 PolarHBondContact OD1-N 3.45Å; D43-N45 PolarHBondContact OD1-ND2 2.97Å; D43-I46 PolarHBondContact O-N 2.89Å; D43-A47 WeakPolarHBondContact O-CB 2.95Å; D43-A47 PolarHBondContact O-N 3.15Å
44	R	92.1	Very high	96.8	Very high	122 Å²	122	68 Å²	68	46%	0.46	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.2	-174.6	-67.9	-168.7	180	-161.2	3.7	114.5	N33 L36 I46 Y52	N33-R44 PolarHBondContact ND2-NH2 3.4Å; N33-R44 PolarHBondContact OD1-NE 2.85Å; N33-R44 PolarHBondContact OD1-NH2 2.88Å; L36-R44 HydrophobicContact CD2-CG 4.18Å; R44-I46 VanDerWaalsContact C-N 3.35Å; R44-Y52 PolarHBondContact O-OH 3.44Å
45	N	93.3	Very high	96.8	Very high	152 Å²	152	62.3 Å²	62.3	81%	0.813	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.3	-177.4	-51.2	-64.4	0	0	0	112.2	D43	D43-N45 PolarHBondContact O-N 3.01Å; D43-N45 WeakPolarHBondContact OD1-CA 2.97Å; D43-N45 WeakPolarHBondContact OD1-CB 3.39Å; D43-N45 PolarHBondContact OD1-N 3.45Å; D43-N45 PolarHBondContact OD1-ND2 2.97Å
46	I	95.7	Very high	96.8	Very high	97 Å²	97	61.9 Å²	61.9	50%	0.497	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-1.1	-176.4	64.5	165	0	0	0	113.5	K42 D43 R44	K42-I46 HydrophobicContact CD-CD1 3.96Å; K42-I46 HydrophobicContact CD-CG1 4.12Å; D43-I46 PolarHBondContact O-N 2.89Å; R44-I46 VanDerWaalsContact C-N 3.35Å
47	A	96.8	Very high	96.9	Very high	17 Å²	17	61.7 Å²	61.7	14%	0.14	31%	0.313	C	S	.	.			trans	-73.6	132.1	-179.5	0	0	0	0	0	111.1	L36 K42 D43 D51 Y52	L36-A47 HydrophobicContact CD1-CB 4.01Å; K42-A47 HydrophobicContact CB-CB 4.42Å; D43-A47 WeakPolarHBondContact O-CB 2.95Å; D43-A47 PolarHBondContact O-N 3.15Å; A47-D51 HydrophobicContact CB-CB 4.21Å; A47-Y52 HydrophobicContact CB-CD1 4.19Å; A47-Y52 HydrophobicContact CB-CE1 3.47Å; A47-Y52 VanDerWaalsContact CB-CE1 3.47Å; A47-Y52 HydrophobicContact CB-CE2 4.25Å
48	T	97.5	Very high	96.9	Very high	63 Å²	63	58.2 Å²	58.2	39%	0.387	30%	0.297	S	S	.	.			trans	-96.4	166.7	177.6	65.8	0	0	0	0	110.8	R50 D51 Y52	T48-R50 PolarHBondContact O-N 3.22Å; T48-R50 VanDerWaalsContact O-N 3.13Å; T48-D51 WeakPolarHBondContact CB-OD2 3.29Å; T48-D51 PolarHBondContact N-OD2 3Å; T48-D51 WeakPolarHBondContact O-CB 3.4Å; T48-D51 PolarHBondContact O-N 3.24Å; T48-D51 PolarHBondContact OG1-N 3.49Å; T48-D51 PolarHBondContact OG1-OD2 3.05Å; T48-Y52 WeakPolarHBondContact O-CD2 3.44Å; T48-Y52 PolarHBondContact O-N 2.71Å
49	P	97	Very high	96.9	Very high	76 Å²	76	51.1 Å²	51.1	49%	0.494	27%	0.266	S	S	.	.	H	α-helix	trans	-52.8	-34.2	172.8	-28.9	36.6	0	0	0	113.6	Y52 Y53 L123 V126	P49-Y52 PolarHBondContact O-N 3.21Å; P49-Y53 PolarHBondContact O-N 3.07Å; P49-L123 WeakPolarHBondContact O-CD2 3.21Å; P49-V126 HydrophobicContact CB-CG2 4.23Å
50	R	97.6	Very high	96.9	Very high	66 Å²	66	48 Å²	48	25%	0.249	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-41	175.1	-172.7	175	-67	-83	5	112.4	T48 Y52 Y53 F54 V126 E128 H186	T48-R50 PolarHBondContact O-N 3.22Å; T48-R50 VanDerWaalsContact O-N 3.13Å; R50-Y52 VanDerWaalsContact C-N 3.33Å; R50-Y53 PolarHBondContact O-N 3.4Å; R50-F54 HydrophobicContact CG-CD2 3.87Å; R50-F54 HydrophobicContact CG-CE2 3.74Å; R50-F54 VanDerWaalsContact O-CD2 3.25Å; R50-F54 WeakPolarHBondContact O-CD2 3.46Å; R50-F54 PolarHBondContact O-N 2.91Å; R50-V126 HydrophobicContact CB-CG1 3.96Å; R50-V126 HydrophobicContact CG-CG1 4.05Å; R50-E128 IonicContact NH1-OE1 2.65Å; R50-E128 IonicContact NH2-OE1 3.55Å; R50-H186 PolarHBondContact NH1-CD2 2.88Å; R50-H186 VanDerWaalsContact NH1-CD2 3.33Å
51	D	97.9	Very high	96.8	Very high	22 Å²	22	48.5 Å²	48.5	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-42.8	174.8	-59.7	-59.2	0	0	0	110.6	L36 L40 K42 A47 T48 F54 A55	L36-D51 HydrophobicContact CD1-CB 4.24Å; L40-D51 HydrophobicContact CD1-CB 4.25Å; L40-D51 WeakPolarHBondContact CD1-O 3.45Å; K42-D51 VanDerWaalsContact CE-OD1 3.32Å; K42-D51 WeakPolarHBondContact CE-OD1 3.37Å; K42-D51 HydrophobicContact CG-CB 4.31Å; K42-D51 IonicContact NZ-OD1 3.26Å; K42-D51 IonicContact NZ-OD2 2.9Å; K42-D51 PolarHBondContact NZ-OD2 3.41Å; A47-D51 HydrophobicContact CB-CB 4.21Å; T48-D51 WeakPolarHBondContact CB-OD2 3.29Å; T48-D51 PolarHBondContact N-OD2 3Å; T48-D51 WeakPolarHBondContact O-CB 3.4Å; T48-D51 PolarHBondContact O-N 3.24Å; T48-D51 PolarHBondContact OG1-N 3.49Å; T48-D51 PolarHBondContact OG1-OD2 3.05Å; D51-F54 PolarHBondContact O-N 3.34Å; D51-A55 WeakPolarHBondContact O-CB 3.23Å; D51-A55 PolarHBondContact O-N 3.28Å
52	Y	98.3	Very high	96.7	Very high	33 Å²	33	45.8 Å²	45.8	13%	0.129	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-40.9	176.3	-63.1	-43.2	0	0	0	112.9	F32 L36 R44 A47 T48 P49 R50 A55 L56 L118	F32-Y52 HydrophobicContact CE1-CD1 4.07Å; F32-Y52 VanDerWaalsContact CE2-O 3.31Å; F32-Y52 WeakPolarHBondContact CE2-O 3.5Å; F32-Y52 AromaticContact CZ-CD1 3.68Å; F32-Y52 HydrophobicContact CZ-CD1 3.68Å; F32-Y52 HydrophobicContact CZ-CG 4.21Å; L36-Y52 HydrophobicContact CD1-CD1 4.17Å; L36-Y52 HydrophobicContact CD1-CE1 4.31Å; L36-Y52 HydrophobicContact CD2-CD1 4.32Å; L36-Y52 HydrophobicContact CD2-CE1 3.93Å; R44-Y52 PolarHBondContact O-OH 3.44Å; A47-Y52 HydrophobicContact CB-CD1 4.19Å; A47-Y52 HydrophobicContact CB-CE1 3.47Å; A47-Y52 VanDerWaalsContact CB-CE1 3.47Å; A47-Y52 HydrophobicContact CB-CE2 4.25Å; T48-Y52 WeakPolarHBondContact O-CD2 3.44Å; T48-Y52 PolarHBondContact O-N 2.71Å; P49-Y52 PolarHBondContact O-N 3.21Å; R50-Y52 VanDerWaalsContact C-N 3.33Å; Y52-A55 PolarHBondContact O-N 2.94Å; Y52-L56 PolarHBondContact O-N 3.18Å; Y52-L118 HydrophobicContact CD1-CD1 3.92Å; Y52-L118 HydrophobicContact CD2-CD1 4.05Å; Y52-L118 HydrophobicContact CD2-CD2 3.66Å; Y52-L118 HydrophobicContact CE1-CD1 4.37Å; Y52-L118 HydrophobicContact CE2-CD2 3.7Å; Y52-L118 HydrophobicContact CG-CD1 3.74Å; Y52-L118 HydrophobicContact CG-CD2 4.23Å
53	Y	98.4	Very high	96.5	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.035	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-51.1	171.9	158.2	-101.3	0	0	0	111.4	P49 R50 A55 L56 A57 L96 L123 V126 E127	P49-Y53 PolarHBondContact O-N 3.07Å; R50-Y53 PolarHBondContact O-N 3.4Å; Y53-A55 VanDerWaalsContact C-N 3.31Å; Y53-A55 PolarHBondContact O-N 3.19Å; Y53-L56 PolarHBondContact O-N 3.05Å; Y53-A57 HydrophobicContact CE2-CB 4.19Å; Y53-A57 WeakPolarHBondContact O-CB 3.33Å; Y53-A57 PolarHBondContact O-N 3.25Å; Y53-L96 HydrophobicContact CD2-CD2 3.93Å; Y53-L96 HydrophobicContact CE2-CD2 3.91Å; Y53-L123 WeakPolarHBondContact CD2-O 3.35Å; Y53-V126 HydrophobicContact CD1-CG1 4.33Å; Y53-V126 HydrophobicContact CG-CB 4.26Å; Y53-V126 HydrophobicContact CG-CG1 4.34Å; Y53-E127 HydrophobicContact CD2-CB 4.33Å; Y53-E127 HydrophobicContact CE2-CB 3.58Å; Y53-E127 HydrophobicContact CE2-CG 3.97Å; Y53-E127 VanDerWaalsContact OH-CG 3.31Å; Y53-E127 WeakPolarHBondContact OH-CG 3.23Å
54	F	98.4	Very high	96.5	Very high	22 Å²	22	42 Å²	42	10%	0.096	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-37.6	-179.9	-85.3	-72.1	0	0	0	112.2	L40 R50 D51 L56 A57 H58 H186 P189	L40-F54 HydrophobicContact CD1-CB 3.82Å; L40-F54 HydrophobicContact CD2-CB 3.68Å; L40-F54 HydrophobicContact CD2-CG 4.36Å; L40-F54 HydrophobicContact CG-CB 4.38Å; R50-F54 HydrophobicContact CG-CD2 3.87Å; R50-F54 HydrophobicContact CG-CE2 3.74Å; R50-F54 VanDerWaalsContact O-CD2 3.25Å; R50-F54 WeakPolarHBondContact O-CD2 3.46Å; R50-F54 PolarHBondContact O-N 2.91Å; D51-F54 PolarHBondContact O-N 3.34Å; F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 PolarHBondContact O-N 3.24Å; F54-A57 PolarHBondContact O-N 3.5Å; F54-H58 WeakPolarHBondContact O-CB 3.46Å; F54-H58 PolarHBondContact O-CD2 3.16Å; F54-H58 PolarHBondContact O-N 3.3Å; F54-H186 HydrophobicContact CE2-CB 4.16Å; F54-H186 HydrophobicContact CZ-CB 4.1Å; F54-H186 WeakPolarHBondContact CZ-O 3.38Å; F54-P189 HydrophobicContact CD1-CB 4.1Å; F54-P189 HydrophobicContact CD1-CG 4.13Å; F54-P189 HydrophobicContact CE1-CB 4.21Å; F54-P189 HydrophobicContact CE1-CG 4.01Å
55	A	98.3	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-42.9	175.9	0	0	0	0	0	111.3	F32 H35 L36 L40 D51 Y52 Y53 T59	F32-A55 HydrophobicContact CD2-CB 3.92Å; F32-A55 HydrophobicContact CE1-CB 4.41Å; F32-A55 HydrophobicContact CE2-CB 3.76Å; F32-A55 HydrophobicContact CG-CB 4.34Å; F32-A55 HydrophobicContact CZ-CB 4.03Å; H35-A55 HydrophobicContact CB-CB 4.42Å; L36-A55 HydrophobicContact CB-CB 4.13Å; L36-A55 HydrophobicContact CD1-CB 4.44Å; L40-A55 HydrophobicContact CD1-CB 3.97Å; D51-A55 WeakPolarHBondContact O-CB 3.23Å; D51-A55 PolarHBondContact O-N 3.28Å; Y52-A55 PolarHBondContact O-N 2.94Å; Y53-A55 VanDerWaalsContact C-N 3.31Å; Y53-A55 PolarHBondContact O-N 3.19Å; A55-T59 WeakPolarHBondContact O-CB 3.35Å; A55-T59 PolarHBondContact O-N 3.47Å; A55-T59 PolarHBondContact O-OG1 2.89Å
56	L	98.3	Very high	96.3	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-47.2	175	177.9	57.3	0	0	0	111.7	F32 Y52 Y53 F54 H58 T59 V60 L96 C109 I113 L123	F32-L56 HydrophobicContact CD2-CB 4.13Å; F32-L56 HydrophobicContact CE2-CB 4.03Å; Y52-L56 PolarHBondContact O-N 3.18Å; Y53-L56 PolarHBondContact O-N 3.05Å; F54-L56 VanDerWaalsContact C-N 3.34Å; F54-L56 PolarHBondContact O-N 3.24Å; L56-H58 VanDerWaalsContact C-N 3.34Å; L56-H58 PolarHBondContact O-N 2.93Å; L56-T59 WeakPolarHBondContact O-CB 3.36Å; L56-T59 PolarHBondContact O-N 3.08Å; L56-T59 VanDerWaalsContact O-N 3.09Å; L56-V60 HydrophobicContact CD1-CG2 3.92Å; L56-V60 HydrophobicContact CG-CG2 4.44Å; L56-V60 WeakPolarHBondContact O-CG2 3.15Å; L56-V60 PolarHBondContact O-N 3.27Å; L56-L96 HydrophobicContact CD2-CD2 3.97Å; L56-L96 HydrophobicContact CG-CD1 4.21Å; L56-L96 HydrophobicContact CG-CD2 4.31Å; L56-C109 HydrophobicContact CD1-CB 4.48Å; L56-I113 HydrophobicContact CD1-CD1 4.16Å; L56-I113 HydrophobicContact CD1-CG1 4.26Å; L56-I113 HydrophobicContact CD2-CD1 4.28Å; L56-I113 HydrophobicContact CD2-CG1 4.14Å; L56-L123 HydrophobicContact CD2-CD1 4.2Å
57	A	98.3	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-43.9	179.1	0	0	0	0	0	112.1	Y53 F54 V60 R61 P189 W190	Y53-A57 HydrophobicContact CE2-CB 4.19Å; Y53-A57 WeakPolarHBondContact O-CB 3.33Å; Y53-A57 PolarHBondContact O-N 3.25Å; F54-A57 PolarHBondContact O-N 3.5Å; A57-V60 PolarHBondContact O-N 2.93Å; A57-R61 WeakPolarHBondContact O-CB 3.21Å; A57-R61 PolarHBondContact O-N 2.82Å; A57-P189 HydrophobicContact CB-CB 4.15Å; A57-P189 HydrophobicContact CB-CG 3.81Å; A57-W190 HydrophobicContact CB-CH2 4.27Å; A57-W190 HydrophobicContact CB-CZ2 3.88Å
58	H	98.2	Very high	96.2	Very high	34 Å²	34	30 Å²	30	16%	0.157	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-40.3	174.1	-77.4	-58.8	0	0	0	112.6	H35 F54 L56 R61 D62	H35-H58 HydrophobicContact CB-CB 4.12Å; F54-H58 WeakPolarHBondContact O-CB 3.46Å; F54-H58 PolarHBondContact O-CD2 3.16Å; F54-H58 PolarHBondContact O-N 3.3Å; L56-H58 VanDerWaalsContact C-N 3.34Å; L56-H58 PolarHBondContact O-N 2.93Å; H58-R61 PolarHBondContact O-N 3.47Å; H58-D62 PolarHBondContact O-N 3.36Å
59	T	97.4	Very high	96	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-48.9	176.5	-57.4	0	0	0	0	111	L28 F32 A55 L56 R61 D62 H63	L28-T59 HydrophobicContact CD2-CG2 3.89Å; F32-T59 VanDerWaalsContact CA-OG1 3.26Å; F32-T59 WeakPolarHBondContact CA-OG1 3.45Å; F32-T59 PolarHBondContact N-OG1 2.84Å; A55-T59 WeakPolarHBondContact O-CB 3.35Å; A55-T59 PolarHBondContact O-N 3.47Å; A55-T59 PolarHBondContact O-OG1 2.89Å; L56-T59 WeakPolarHBondContact O-CB 3.36Å; L56-T59 PolarHBondContact O-N 3.08Å; L56-T59 VanDerWaalsContact O-N 3.09Å; T59-R61 PolarHBondContact O-N 3.31Å; T59-D62 PolarHBondContact O-N 3.15Å; T59-H63 PolarHBondContact O-CD2 3.14Å; T59-H63 VanDerWaalsContact O-CD2 3.24Å
60	V	96.4	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-41.1	178.1	173.4	0	0	0	0	111.2	L56 A57 D62 H63 L96 T99 M100 W190	L56-V60 HydrophobicContact CD1-CG2 3.92Å; L56-V60 HydrophobicContact CG-CG2 4.44Å; L56-V60 WeakPolarHBondContact O-CG2 3.15Å; L56-V60 PolarHBondContact O-N 3.27Å; A57-V60 PolarHBondContact O-N 2.93Å; V60-D62 VanDerWaalsContact C-N 3.29Å; V60-D62 PolarHBondContact O-N 3.48Å; V60-H63 WeakPolarHBondContact O-CB 3.32Å; V60-H63 PolarHBondContact O-N 3.39Å; V60-H63 VanDerWaalsContact O-N 3.15Å; V60-L96 HydrophobicContact CB-CD1 4.21Å; V60-L96 HydrophobicContact CG1-CD1 4.45Å; V60-L96 HydrophobicContact CG2-CD1 3.98Å; V60-T99 HydrophobicContact CG1-CG2 3.48Å; V60-T99 VanDerWaalsContact CG1-CG2 3.48Å; V60-M100 HydrophobicContact CG1-CG 3.99Å; V60-M100 HydrophobicContact CG2-CG 3.87Å; V60-M100 HydrophobicContact CG2-SD 4.1Å; V60-W190 HydrophobicContact CB-CH2 4.4Å; V60-W190 HydrophobicContact CG1-CH2 4.22Å; V60-W190 HydrophobicContact CG1-CZ3 4.5Å
61	R	96.4	Very high	95.6	Very high	51 Å²	51	26.1 Å²	26.1	19%	0.192	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-35.7	177.5	175.6	176.5	170.8	-79.8	7.2	113	A57 H58 T59 H63 L64 V65 P189 W190	A57-R61 WeakPolarHBondContact O-CB 3.21Å; A57-R61 PolarHBondContact O-N 2.82Å; H58-R61 PolarHBondContact O-N 3.47Å; T59-R61 PolarHBondContact O-N 3.31Å; R61-H63 PolarHBondContact O-N 2.77Å; R61-L64 WeakPolarHBondContact O-CA 3.45Å; R61-L64 WeakPolarHBondContact O-CB 3.34Å; R61-L64 PolarHBondContact O-N 3.1Å; R61-V65 HydrophobicContact CG-CG2 4.39Å; R61-V65 PolarHBondContact O-N 3.04Å; R61-V65 VanDerWaalsContact O-N 3.16Å; R61-P189 WeakPolarHBondContact CD-O 3.35Å; R61-P189 PolarHBondContact NE-O 3.5Å; R61-P189 VanDerWaalsContact NE-O 3.13Å; R61-W190 HydrophobicContact CB-CE3 4.35Å; R61-W190 HydrophobicContact CB-CZ3 4.03Å
62	D	94.7	Very high	95.3	Very high	62 Å²	62	27.6 Å²	27.6	33%	0.332	14%	0.135	S	C	.	.	H	α-helix	trans	-58.2	-33.9	177.6	-85.3	7.3	0	0	0	111.9	R34 H35 H58 T59 V60 L64 V65	R34-D62 IonicContact CZ-OD2 3.84Å; R34-D62 IonicContact NH2-OD2 3.91Å; R34-D62 PolarHBondContact NH2-OD2 3.37Å; H35-D62 IonicContact CE1-OD2 3.57Å; H35-D62 IonicContact NE2-OD2 2.78Å; H35-D62 PolarHBondContact NE2-OD2 2.77Å; H58-D62 PolarHBondContact O-N 3.36Å; T59-D62 PolarHBondContact O-N 3.15Å; V60-D62 VanDerWaalsContact C-N 3.29Å; V60-D62 PolarHBondContact O-N 3.48Å; D62-L64 VanDerWaalsContact C-N 3.3Å; D62-L64 PolarHBondContact O-N 3.12Å; D62-V65 PolarHBondContact O-N 3.11Å
63	H	92.2	Very high	94.9	Very high	45 Å²	45	29.4 Å²	29.4	21%	0.208	14%	0.144	C	C	.	.	H	α-helix	trans	-70.6	-21.9	174.7	-64.6	-88.9	0	0	0	113.6	T59 V60 R61 R67 L103 L105	T59-H63 PolarHBondContact O-CD2 3.14Å; T59-H63 VanDerWaalsContact O-CD2 3.24Å; V60-H63 WeakPolarHBondContact O-CB 3.32Å; V60-H63 PolarHBondContact O-N 3.39Å; V60-H63 VanDerWaalsContact O-N 3.15Å; R61-H63 PolarHBondContact O-N 2.77Å; H63-R67 PolarHBondContact O-NH1 3.34Å; H63-L103 HydrophobicContact CB-CD1 3.97Å; H63-L105 HydrophobicContact CB-CD1 3.95Å
64	L	93.1	Very high	94.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-78.5	-40.3	172.9	-72.2	175.2	0	0	0	112.4	R61 D62 G66 R67 W68 T99 L103 W190 P230 P232 V239	R61-L64 WeakPolarHBondContact O-CA 3.45Å; R61-L64 WeakPolarHBondContact O-CB 3.34Å; R61-L64 PolarHBondContact O-N 3.1Å; D62-L64 VanDerWaalsContact C-N 3.3Å; D62-L64 PolarHBondContact O-N 3.12Å; L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.29Å; L64-R67 PolarHBondContact O-N 2.9Å; L64-R67 VanDerWaalsContact O-N 3.1Å; L64-W68 WeakPolarHBondContact O-CB 3.36Å; L64-W68 PolarHBondContact O-N 3.03Å; L64-T99 HydrophobicContact CD1-CG2 3.52Å; L64-T99 HydrophobicContact CD2-CG2 3.98Å; L64-T99 HydrophobicContact CG-CG2 3.75Å; L64-L103 HydrophobicContact CD2-CD1 3.86Å; L64-L103 HydrophobicContact CD2-CD2 4.04Å; L64-L103 HydrophobicContact CD2-CG 4.2Å; L64-L103 HydrophobicContact CG-CD1 4.06Å; L64-W190 HydrophobicContact CD1-CZ3 4.34Å; L64-P230 HydrophobicContact CD1-CB 4.24Å; L64-P230 HydrophobicContact CD1-CG 3.78Å; L64-P232 HydrophobicContact CD2-CB 3.68Å; L64-P232 HydrophobicContact CD2-CG 3.97Å; L64-V239 HydrophobicContact CD2-CG1 4.49Å; L64-V239 HydrophobicContact CD2-CG2 4.11Å
65	V	92.6	Very high	94.3	Very high	49 Å²	49	28.7 Å²	28.7	30%	0.297	14%	0.141	S	C	.	.	H	α-helix	trans	-56.7	-46.1	-169.5	172.4	0	0	0	0	111.9	R61 D62 R67 W68 I69	R61-V65 HydrophobicContact CG-CG2 4.39Å; R61-V65 PolarHBondContact O-N 3.04Å; R61-V65 VanDerWaalsContact O-N 3.16Å; D62-V65 PolarHBondContact O-N 3.11Å; V65-R67 PolarHBondContact O-N 3.24Å; V65-W68 PolarHBondContact O-N 3.15Å; V65-I69 HydrophobicContact CG1-CD1 3.93Å; V65-I69 WeakPolarHBondContact O-CG1 3.31Å; V65-I69 PolarHBondContact O-N 3.13Å
66	G	89.3	Confident	93.8	Very high	24 Å²	24	32.1 Å²	32.1	25%	0.247	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-43.8	178.9	0	0	0	0	0	112.7	L64 R70 P836	L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.29Å; G66-R70 WeakPolarHBondContact O-CG 3.3Å; G66-R70 PolarHBondContact O-N 2.93Å; G66-P836 VanDerWaalsContact C-CG 3.43Å
67	R	94.4	Very high	93.2	Very high	44 Å²	44	34.8 Å²	34.8	17%	0.166	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-43	178.5	-71.1	173.3	173.4	81	-0.1	111	H63 L64 V65 I69 R70 T71 N237 V239 P836	H63-R67 PolarHBondContact O-NH1 3.34Å; L64-R67 PolarHBondContact O-N 2.9Å; L64-R67 VanDerWaalsContact O-N 3.1Å; V65-R67 PolarHBondContact O-N 3.24Å; R67-I69 PolarHBondContact O-N 2.86Å; R67-R70 WeakPolarHBondContact O-CB 3.45Å; R67-R70 PolarHBondContact O-N 3.32Å; R67-R70 VanDerWaalsContact O-N 3.14Å; R67-T71 PolarHBondContact O-N 3.43Å; R67-T71 PolarHBondContact O-OG1 2.94Å; R67-T71 VanDerWaalsContact O-OG1 3.09Å; R67-N237 HydrophobicContact CG-CB 4.42Å; R67-N237 PolarHBondContact NE-OD1 3.43Å; R67-V239 HydrophobicContact CB-CG2 3.62Å; R67-P836 HydrophobicContact CG-CG 3.89Å
68	W	96.3	Very high	92.8	Very high	20 Å²	20	35.5 Å²	35.5	8%	0.076	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-44.8	179.6	-168.3	28.3	0	0	0	113.2	L64 V65 R70 T71 Q72 K192 D228 P230 V239 T241	L64-W68 WeakPolarHBondContact O-CB 3.36Å; L64-W68 PolarHBondContact O-N 3.03Å; V65-W68 PolarHBondContact O-N 3.15Å; W68-R70 VanDerWaalsContact C-N 3.31Å; W68-R70 PolarHBondContact O-N 3.12Å; W68-T71 PolarHBondContact O-N 3.06Å; W68-Q72 WeakPolarHBondContact O-CG 3.48Å; W68-Q72 PolarHBondContact O-N 3.39Å; W68-K192 HydrophobicContact CH2-CB 4.46Å; W68-K192 HydrophobicContact CZ3-CB 4.44Å; W68-D228 HydrophobicContact CH2-CB 3.44Å; W68-D228 VanDerWaalsContact CH2-CB 3.44Å; W68-D228 HydrophobicContact CZ2-CB 3.63Å; W68-P230 HydrophobicContact CD2-CB 4.13Å; W68-P230 HydrophobicContact CE3-CB 4.29Å; W68-P230 HydrophobicContact CG-CB 4.42Å; W68-V239 HydrophobicContact CB-CB 4.02Å; W68-V239 HydrophobicContact CB-CG1 3.82Å; W68-V239 VanDerWaalsContact CD1-O 3.26Å; W68-V239 HydrophobicContact CG-CB 4.36Å; W68-V239 HydrophobicContact CG-CG1 3.85Å; W68-T241 HydrophobicContact CZ2-CG2 4.01Å; W68-T241 PolarHBondContact NE1-OG1 3.21Å
69	I	92.5	Very high	92.4	Very high	90 Å²	90	35.1 Å²	35.1	46%	0.462	17%	0.173	S	C	.	.	H	α-helix	trans	-58.4	-45.6	173.8	-69.3	167.7	0	0	0	110.4	V65 R67 Q72 Q73	V65-I69 HydrophobicContact CG1-CD1 3.93Å; V65-I69 WeakPolarHBondContact O-CG1 3.31Å; V65-I69 PolarHBondContact O-N 3.13Å; R67-I69 PolarHBondContact O-N 2.86Å; I69-Q72 PolarHBondContact O-N 3.31Å; I69-Q73 HydrophobicContact CG2-CG 4.41Å; I69-Q73 WeakPolarHBondContact O-CB 3.38Å; I69-Q73 VanDerWaalsContact O-CG 3.28Å; I69-Q73 WeakPolarHBondContact O-CG 3.38Å; I69-Q73 PolarHBondContact O-N 2.87Å
70	R	90.9	Very high	92.2	Very high	32 Å²	32	36.4 Å²	36.4	12%	0.121	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-42.2	179	-72.8	-173.9	-178	-142	0.7	113.1	G66 R67 W68 Q72 Q73 F74 I833 P834 P835 P836 E838 I843	G66-R70 WeakPolarHBondContact O-CG 3.3Å; G66-R70 PolarHBondContact O-N 2.93Å; R67-R70 WeakPolarHBondContact O-CB 3.45Å; R67-R70 PolarHBondContact O-N 3.32Å; R67-R70 VanDerWaalsContact O-N 3.14Å; W68-R70 VanDerWaalsContact C-N 3.31Å; W68-R70 PolarHBondContact O-N 3.12Å; R70-Q72 PolarHBondContact O-N 3.41Å; R70-Q73 PolarHBondContact O-N 3.05Å; R70-F74 VanDerWaalsContact O-CB 3.26Å; R70-F74 WeakPolarHBondContact O-CB 3.18Å; R70-F74 PolarHBondContact O-N 2.9Å; R70-I833 HydrophobicContact CB-CG2 4.22Å; R70-P834 WeakPolarHBondContact CD-O 3.45Å; R70-P834 PolarHBondContact NH1-O 3.47Å; R70-P835 PolarHBondContact NH1-O 3.17Å; R70-P836 VanDerWaalsContact NH2-CA 3.35Å; R70-P836 PolarHBondContact NH2-O 3.45Å; R70-E838 VanDerWaalsContact CZ-O 3.26Å; R70-E838 PolarHBondContact NH1-O 3.46Å; R70-E838 PolarHBondContact NH2-O 3.37Å; R70-I843 HydrophobicContact CB-CD1 4.34Å; R70-I843 HydrophobicContact CG-CD1 4.13Å
71	T	94.8	Very high	92.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-46.2	176.7	-58.1	0	0	0	0	111.2	R67 W68 Q73 F74 Y75 T238 V239 I833	R67-T71 PolarHBondContact O-N 3.43Å; R67-T71 PolarHBondContact O-OG1 2.94Å; R67-T71 VanDerWaalsContact O-OG1 3.09Å; W68-T71 PolarHBondContact O-N 3.06Å; T71-Q73 PolarHBondContact O-N 2.92Å; T71-F74 PolarHBondContact O-N 3.33Å; T71-Y75 HydrophobicContact CG2-CD2 4.08Å; T71-Y75 HydrophobicContact CG2-CE1 4.04Å; T71-Y75 HydrophobicContact CG2-CE2 3.43Å; T71-Y75 VanDerWaalsContact CG2-CE2 3.43Å; T71-Y75 PolarHBondContact O-N 3.49Å; T71-T238 HydrophobicContact CG2-CG2 4.02Å; T71-V239 WeakPolarHBondContact CB-O 3.3Å; T71-V239 VanDerWaalsContact CG2-O 3.31Å; T71-V239 WeakPolarHBondContact CG2-O 3.47Å; T71-V239 PolarHBondContact OG1-N 3.08Å; T71-I833 HydrophobicContact CG2-CD1 3.99Å
72	Q	92.7	Very high	92.3	Very high	53 Å²	53	36.8 Å²	36.8	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-36.3	178.5	-61.1	-53.3	-53.3	0	0	112.3	W68 I69 R70 Y76 Y156 T241	W68-Q72 WeakPolarHBondContact O-CG 3.48Å; W68-Q72 PolarHBondContact O-N 3.39Å; I69-Q72 PolarHBondContact O-N 3.31Å; R70-Q72 PolarHBondContact O-N 3.41Å; Q72-Y76 WeakPolarHBondContact O-CB 3.49Å; Q72-Y76 PolarHBondContact O-N 3.35Å; Q72-Y156 PolarHBondContact OE1-OH 3.48Å; Q72-T241 PolarHBondContact NE2-OG1 3.1Å
73	Q	89.3	Confident	92.5	Very high	71 Å²	71	33.9 Å²	33.9	33%	0.332	17%	0.168	S	C	.	.	H	α-helix	trans	-64.8	-44.4	172.4	-74.9	175.4	-4.1	0	0	111.9	I69 R70 T71 Y75 Y76 E77	I69-Q73 HydrophobicContact CG2-CG 4.41Å; I69-Q73 WeakPolarHBondContact O-CB 3.38Å; I69-Q73 VanDerWaalsContact O-CG 3.28Å; I69-Q73 WeakPolarHBondContact O-CG 3.38Å; I69-Q73 PolarHBondContact O-N 2.87Å; R70-Q73 PolarHBondContact O-N 3.05Å; T71-Q73 PolarHBondContact O-N 2.92Å; Q73-Y75 PolarHBondContact O-N 3.14Å; Q73-Y76 WeakPolarHBondContact O-CA 3.47Å; Q73-Y76 WeakPolarHBondContact O-CB 3.27Å; Q73-Y76 PolarHBondContact O-N 3.46Å; Q73-Y76 VanDerWaalsContact O-N 3.09Å; Q73-E77 WeakPolarHBondContact O-CG 3.47Å; Q73-E77 PolarHBondContact O-N 3.5Å
74	F	91.1	Very high	92.9	Very high	13 Å²	13	31.8 Å²	31.8	6%	0.057	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-48	176.4	173.4	-102.7	0	0	0	111.3	R70 T71 Y76 E77 A78 I833 I843 T846 V847 L850	R70-F74 VanDerWaalsContact O-CB 3.26Å; R70-F74 WeakPolarHBondContact O-CB 3.18Å; R70-F74 PolarHBondContact O-N 2.9Å; T71-F74 PolarHBondContact O-N 3.33Å; F74-Y76 PolarHBondContact O-N 2.96Å; F74-E77 PolarHBondContact O-N 2.98Å; F74-A78 HydrophobicContact CZ-CB 4.43Å; F74-A78 VanDerWaalsContact O-CB 3.25Å; F74-A78 WeakPolarHBondContact O-CB 3.2Å; F74-A78 PolarHBondContact O-N 3.46Å; F74-I833 HydrophobicContact CB-CD1 4.4Å; F74-I833 HydrophobicContact CD1-CD1 3.9Å; F74-I833 HydrophobicContact CD1-CG1 4.4Å; F74-I833 HydrophobicContact CG-CD1 4.26Å; F74-I843 HydrophobicContact CB-CG2 4.27Å; F74-I843 HydrophobicContact CD2-CG2 4Å; F74-T846 HydrophobicContact CE2-CG2 3.83Å; F74-T846 HydrophobicContact CZ-CG2 4.23Å; F74-V847 HydrophobicContact CD2-CG2 3.53Å; F74-V847 HydrophobicContact CE2-CB 4.34Å; F74-V847 HydrophobicContact CE2-CG2 3.52Å; F74-L850 HydrophobicContact CE1-CD2 4.06Å; F74-L850 HydrophobicContact CZ-CB 4.34Å; F74-L850 HydrophobicContact CZ-CD2 3.65Å
75	Y	92.8	Very high	93.1	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-33.8	174.9	-63.4	-19.5	0	0	0	112.4	T71 Q73 D79 P80 R82 L153 A154 T238 N240	T71-Y75 HydrophobicContact CG2-CD2 4.08Å; T71-Y75 HydrophobicContact CG2-CE1 4.04Å; T71-Y75 HydrophobicContact CG2-CE2 3.43Å; T71-Y75 VanDerWaalsContact CG2-CE2 3.43Å; T71-Y75 PolarHBondContact O-N 3.49Å; Q73-Y75 PolarHBondContact O-N 3.14Å; Y75-D79 VanDerWaalsContact O-CA 3.25Å; Y75-D79 WeakPolarHBondContact O-CA 3.39Å; Y75-D79 PolarHBondContact O-N 3.02Å; Y75-P80 HydrophobicContact CD1-CG 4.36Å; Y75-P80 VanDerWaalsContact O-CD 3.29Å; Y75-P80 WeakPolarHBondContact O-CD 3.48Å; Y75-R82 PolarHBondContact O-NH2 2.98Å; Y75-L153 PolarHBondContact OH-O 3.33Å; Y75-A154 HydrophobicContact CD1-CB 3.83Å; Y75-A154 HydrophobicContact CD2-CB 4.11Å; Y75-A154 HydrophobicContact CE1-CB 3.8Å; Y75-A154 HydrophobicContact CE2-CB 4.05Å; Y75-A154 HydrophobicContact CG-CB 4.02Å; Y75-T238 WeakPolarHBondContact OH-CG2 3.34Å; Y75-N240 VanDerWaalsContact CE2-OD1 3.29Å; Y75-N240 WeakPolarHBondContact CE2-OD1 3.42Å; Y75-N240 PolarHBondContact OH-OD1 3.36Å
76	Y	87.6	Confident	93.4	Very high	72 Å²	72	29.5 Å²	29.5	28%	0.282	14%	0.144	S	C	.	.	H	α-helix	trans	-67.4	-43.3	175.6	-171.4	-102.2	0	0	0	112.4	Q72 Q73 F74 T314 T315 K316 K317 G318	Q72-Y76 WeakPolarHBondContact O-CB 3.49Å; Q72-Y76 PolarHBondContact O-N 3.35Å; Q73-Y76 WeakPolarHBondContact O-CA 3.47Å; Q73-Y76 WeakPolarHBondContact O-CB 3.27Å; Q73-Y76 PolarHBondContact O-N 3.46Å; Q73-Y76 VanDerWaalsContact O-N 3.09Å; F74-Y76 PolarHBondContact O-N 2.96Å; Y76-T314 HydrophobicContact CE2-CG2 4.3Å; Y76-T315 WeakPolarHBondContact CE1-O 3.2Å; Y76-T315 WeakPolarHBondContact CE2-O 3.49Å; Y76-T315 PolarHBondContact OH-O 3.46Å; Y76-K316 WeakPolarHBondContact OH-CA 3.44Å; Y76-K316 PolarHBondContact OH-N 3.46Å; Y76-K317 PolarHBondContact OH-N 2.74Å; Y76-G318 PolarHBondContact OH-N 3Å
77	E	86.4	Confident	93.8	Very high	61 Å²	61	28.4 Å²	28.4	29%	0.285	13%	0.133	S	C	.	.	H	α-helix	trans	-77.6	-40.5	-177.5	-69.4	176.7	-174.7	0	0	113.1	Q73 F74 R840 V847	Q73-E77 WeakPolarHBondContact O-CG 3.47Å; Q73-E77 PolarHBondContact O-N 3.5Å; F74-E77 PolarHBondContact O-N 2.98Å; E77-R840 IonicContact OE1-CZ 2.84Å; E77-R840 IonicContact OE1-NE 2.78Å; E77-R840 IonicContact OE1-NH2 3.34Å; E77-R840 PolarHBondContact OE1-NH2 3.12Å; E77-V847 HydrophobicContact CB-CG2 4.41Å
78	A	88.8	Confident	93.9	Very high	16 Å²	16	26.3 Å²	26.3	13%	0.132	13%	0.125	C	C	.	.	H	α-helix	trans	-74.2	-33.9	175.7	0	0	0	0	0	112.2	F74 V847 L850	F74-A78 HydrophobicContact CZ-CB 4.43Å; F74-A78 VanDerWaalsContact O-CB 3.25Å; F74-A78 WeakPolarHBondContact O-CB 3.2Å; F74-A78 PolarHBondContact O-N 3.46Å; A78-V847 HydrophobicContact CB-CG1 4.24Å; A78-V847 HydrophobicContact CB-CG2 4.24Å; A78-L850 HydrophobicContact CB-CD2 4.13Å
79	D	91.3	Very high	93.8	Very high	26 Å²	26	25.6 Å²	25.6	14%	0.139	12%	0.123	C	C	.	.			trans	49.7	55	-176.4	-172.2	40.2	0	0	0	114.2	Y75 R82 R322 K331	Y75-D79 VanDerWaalsContact O-CA 3.25Å; Y75-D79 WeakPolarHBondContact O-CA 3.39Å; Y75-D79 PolarHBondContact O-N 3.02Å; D79-R82 IonicContact OD1-CZ 3.49Å; D79-R82 IonicContact OD1-NH1 3.46Å; D79-R82 PolarHBondContact OD1-NH1 3.46Å; D79-R82 IonicContact OD1-NH2 3.84Å; D79-R322 IonicContact OD1-NH1 2.76Å; D79-R322 IonicContact OD1-NH2 3.58Å; D79-R322 IonicContact OD2-CZ 3.55Å; D79-R322 IonicContact OD2-NH1 3.53Å; D79-R322 IonicContact OD2-NH2 3.6Å; D79-R322 PolarHBondContact OD2-NH2 3.17Å; D79-K331 PolarHBondContact O-NZ 2.81Å
80	P	93.6	Very high	94	Very high	31 Å²	31	21.5 Å²	21.5	20%	0.201	10%	0.101	C	C	.	.			trans	-69.5	167.8	177.8	33.6	-36.2	0	0	0	111	Y75 R82 A154	Y75-P80 HydrophobicContact CD1-CG 4.36Å; Y75-P80 VanDerWaalsContact O-CD 3.29Å; Y75-P80 WeakPolarHBondContact O-CD 3.48Å; P80-R82 PolarHBondContact O-N 3.02Å; P80-R82 PolarHBondContact O-NH1 2.96Å; P80-A154 HydrophobicContact CB-CB 4.37Å; P80-A154 HydrophobicContact CG-CB 3.53Å
81	K	96.8	Very high	94.2	Very high	48 Å²	48	20.8 Å²	20.8	21%	0.209	10%	0.099	C	C	.	.			trans	-60.9	133.9	162.7	-176.5	170.8	-175.7	176	0	108.7	P329 D330 W824 V826	K81-P329 WeakPolarHBondContact CE-O 3.31Å; K81-P329 PolarHBondContact NZ-O 3.38Å; K81-D330 WeakPolarHBondContact CB-O 3.45Å; K81-D330 WeakPolarHBondContact CD-O 3.35Å; K81-D330 WeakPolarHBondContact CG-O 3.49Å; K81-W824 WeakPolarHBondContact CD-O 3.47Å; K81-W824 WeakPolarHBondContact CE-O 3.46Å; K81-W824 PolarHBondContact NZ-O 3.22Å; K81-V826 HydrophobicContact CB-CG1 3.8Å; K81-V826 HydrophobicContact CD-CG1 3.86Å; K81-V826 HydrophobicContact CG-CG1 3.84Å
82	R	98.1	Very high	94.4	Very high	11 Å²	11	21.9 Å²	21.9	4%	0.042	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.5	-175.9	-69.3	172.8	178.8	84.1	-8.2	110.4	Y75 D79 P80 Y84 A154 Y156 K331 A333	Y75-R82 PolarHBondContact O-NH2 2.98Å; D79-R82 IonicContact OD1-CZ 3.49Å; D79-R82 IonicContact OD1-NH1 3.46Å; D79-R82 PolarHBondContact OD1-NH1 3.46Å; D79-R82 IonicContact OD1-NH2 3.84Å; P80-R82 PolarHBondContact O-N 3.02Å; P80-R82 PolarHBondContact O-NH1 2.96Å; R82-Y84 HydrophobicContact CB-CE2 3.8Å; R82-Y84 WeakPolarHBondContact CD-OH 3.33Å; R82-A154 VanDerWaalsContact CA-O 3.3Å; R82-A154 WeakPolarHBondContact CA-O 3.34Å; R82-A154 HydrophobicContact CG-CB 4.29Å; R82-Y156 HydrophobicContact CB-CE2 4.45Å; R82-Y156 HydrophobicContact CG-CE2 4.24Å; R82-K331 PolarHBondContact N-O 3.42Å; R82-A333 PolarHBondContact O-N 3.35Å
83	V	98.7	Very high	94.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130	177.5	-179.9	0	0	0	0	109.3	M148 A154 A155 Y156 W824 V826	V83-M148 HydrophobicContact CG1-SD 4.43Å; V83-A154 PolarHBondContact N-O 3.27Å; V83-A155 HydrophobicContact CB-CB 4.14Å; V83-A155 CarbonylContact O-C 3.6Å; V83-A155 VanDerWaalsContact O-CA 3.29Å; V83-A155 WeakPolarHBondContact O-CA 3.47Å; V83-Y156 PolarHBondContact O-N 3.01Å; V83-W824 HydrophobicContact CB-CE3 4.34Å; V83-W824 HydrophobicContact CG1-CD2 3.69Å; V83-W824 HydrophobicContact CG1-CE3 3.73Å; V83-W824 HydrophobicContact CG1-CG 4.3Å; V83-W824 HydrophobicContact CG1-CH2 4.04Å; V83-W824 HydrophobicContact CG1-CZ2 4Å; V83-W824 HydrophobicContact CG1-CZ3 3.91Å; V83-W824 HydrophobicContact CG2-CB 4.11Å; V83-W824 HydrophobicContact CG2-CD2 3.95Å; V83-W824 HydrophobicContact CG2-CE3 3.74Å; V83-W824 HydrophobicContact CG2-CG 4.12Å; V83-W824 HydrophobicContact CG2-CZ3 4.48Å; V83-V826 HydrophobicContact CG2-CG1 4.38Å; V83-V826 HydrophobicContact CG2-CG2 4Å
84	Y	98.9	Very high	95	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111.1	178.5	-61.9	-69.1	0	0	0	109.6	R82 Y156 Y158 I308 R311 V332 A333 I334 Q335	R82-Y84 HydrophobicContact CB-CE2 3.8Å; R82-Y84 WeakPolarHBondContact CD-OH 3.33Å; Y84-Y156 HydrophobicContact CD1-CD2 4.07Å; Y84-Y156 HydrophobicContact CD1-CG 4.25Å; Y84-Y156 AromaticContact CE1-CD2 3.51Å; Y84-Y156 HydrophobicContact CE1-CD2 3.51Å; Y84-Y156 HydrophobicContact CE1-CE2 4.21Å; Y84-Y156 AromaticContact CE1-CG 3.91Å; Y84-Y156 HydrophobicContact CE1-CG 3.91Å; Y84-Y158 HydrophobicContact CD1-CD2 4.07Å; Y84-Y158 AromaticContact CD1-CE2 3.57Å; Y84-Y158 HydrophobicContact CD1-CE2 3.57Å; Y84-Y158 AromaticContact CE1-CE2 3.97Å; Y84-Y158 HydrophobicContact CE1-CE2 3.97Å; Y84-I308 HydrophobicContact CD1-CD1 3.9Å; Y84-I308 HydrophobicContact CD1-CG1 3.81Å; Y84-I308 HydrophobicContact CD2-CD1 3.67Å; Y84-I308 HydrophobicContact CD2-CG1 3.87Å; Y84-I308 HydrophobicContact CD2-CG2 4.11Å; Y84-I308 HydrophobicContact CE1-CD1 4.43Å; Y84-I308 HydrophobicContact CE1-CG1 3.86Å; Y84-I308 HydrophobicContact CE2-CB 4.36Å; Y84-I308 HydrophobicContact CE2-CD1 4.18Å; Y84-I308 HydrophobicContact CE2-CG1 3.85Å; Y84-I308 HydrophobicContact CE2-CG2 3.7Å; Y84-I308 HydrophobicContact CG-CD1 3.48Å; Y84-I308 VanDerWaalsContact CG-CD1 3.48Å; Y84-I308 HydrophobicContact CG-CG1 3.82Å; Y84-R311 PolarHBondContact OH-NH1 3.04Å; Y84-V332 HydrophobicContact CD2-CG1 3.79Å; Y84-V332 HydrophobicContact CE2-CB 4.49Å; Y84-V332 HydrophobicContact CE2-CG1 3.87Å; Y84-V332 HydrophobicContact CE2-CG2 4.35Å; Y84-A333 PolarHBondContact N-O 3.31Å; Y84-I334 HydrophobicContact CD2-CG1 4.35Å; Y84-I334 WeakPolarHBondContact O-CA 3.33Å; Y84-Q335 PolarHBondContact O-N 3.42Å
85	Y	98.9	Very high	95.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	106.9	178.7	-164.9	-91.2	0	0	0	109.3	F90 A141 F144 Y156 Y158 Q335 N337	Y85-F90 HydrophobicContact CD1-CE1 4.33Å; Y85-F90 HydrophobicContact CD1-CZ 4.3Å; Y85-A141 HydrophobicContact CD1-CB 4.36Å; Y85-A141 HydrophobicContact CE1-CB 3.63Å; Y85-F144 AromaticContact CE2-CD2 3.79Å; Y85-F144 HydrophobicContact CE2-CD2 3.79Å; Y85-F144 HydrophobicContact CE2-CE2 4.29Å; Y85-F144 AromaticContact CZ-CD2 3.86Å; Y85-Y156 PolarHBondContact N-O 3.43Å; Y85-Y158 PolarHBondContact O-N 2.89Å; Y85-Q335 HydrophobicContact CD2-CB 3.8Å; Y85-Q335 HydrophobicContact CD2-CG 3.86Å; Y85-Q335 HydrophobicContact CE2-CB 4.27Å; Y85-Q335 HydrophobicContact CE2-CG 3.8Å; Y85-N337 HydrophobicContact CE1-CB 3.77Å; Y85-N337 PolarHBondContact OH-ND2 3.34Å; Y85-N337 PolarHBondContact OH-OD1 2.97Å
86	L	98.8	Very high	95.6	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.8	-178.9	-84.3	58.4	0	0	0	109.1	T304 I334 Q335 N337 P341 A344	L86-T304 HydrophobicContact CD1-CG2 3.82Å; L86-T304 HydrophobicContact CD2-CG2 4.26Å; L86-T304 HydrophobicContact CG-CG2 4.09Å; L86-I334 HydrophobicContact CD1-CG2 3.73Å; L86-I334 HydrophobicContact CD2-CG2 4.03Å; L86-I334 HydrophobicContact CG-CG2 4.41Å; L86-Q335 PolarHBondContact N-O 3.14Å; L86-N337 VanDerWaalsContact O-CB 3.23Å; L86-N337 WeakPolarHBondContact O-CB 3.38Å; L86-N337 PolarHBondContact O-N 2.96Å; L86-P341 HydrophobicContact CB-CB 3.87Å; L86-P341 HydrophobicContact CB-CG 4.17Å; L86-P341 HydrophobicContact CD2-CB 4.27Å; L86-A344 HydrophobicContact CD2-CB 4.29Å
87	S	97.6	Very high	96	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.007	8%	0.078	C	C	.	.			trans	-145.2	137.8	178.5	-175.3	0	0	0	0	110.3	E89 F90 Y158 G159 N337	S87-E89 WeakPolarHBondContact CB-O 3.29Å; S87-E89 PolarHBondContact O-N 3.3Å; S87-E89 PolarHBondContact OG-N 3.4Å; S87-E89 VanDerWaalsContact OG-N 3.11Å; S87-E89 PolarHBondContact OG-O 3.12Å; S87-F90 WeakPolarHBondContact O-CE2 3.19Å; S87-Y158 PolarHBondContact N-O 3.41Å; S87-Y158 VanDerWaalsContact O-O 3.13Å; S87-G159 VanDerWaalsContact O-CA 3.25Å; S87-G159 WeakPolarHBondContact O-CA 3.34Å; S87-N337 PolarHBondContact OG-ND2 3.42Å
88	L	95.8	Very high	96.5	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.069	C	C	.	.	S	Bend	trans	-76.7	-8.6	169	-89.5	70.8	0	0	0	112.3	Y162 R293 Q296 E297 V300 H340	L88-Y162 WeakPolarHBondContact O-CE2 3.35Å; L88-Y162 PolarHBondContact O-OH 3.01Å; L88-R293 VanDerWaalsContact CD2-CZ 3.42Å; L88-Q296 HydrophobicContact CD2-CB 4.49Å; L88-E297 HydrophobicContact CD1-CG 4.45Å; L88-E297 HydrophobicContact CD2-CG 3.56Å; L88-V300 HydrophobicContact CD1-CG1 3.65Å; L88-V300 HydrophobicContact CG-CG1 4.39Å; L88-H340 HydrophobicContact CB-CB 4.37Å; L88-H340 HydrophobicContact CD1-CB 3.7Å; L88-H340 HydrophobicContact CD2-CB 4.13Å; L88-H340 HydrophobicContact CG-CB 4.26Å
89	E	94.3	Very high	96.9	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.023	6%	0.063	C	C	.	.			trans	-129.4	134.1	179.2	-62.2	-174.9	-149.1	0	0	112.5	S87 L132 N134 L137 G138 L280 Y281	S87-E89 WeakPolarHBondContact CB-O 3.29Å; S87-E89 PolarHBondContact O-N 3.3Å; S87-E89 PolarHBondContact OG-N 3.4Å; S87-E89 VanDerWaalsContact OG-N 3.11Å; S87-E89 PolarHBondContact OG-O 3.12Å; E89-L132 CarbonylContact C-O 3.47Å; E89-L132 VanDerWaalsContact CA-O 3.26Å; E89-L132 WeakPolarHBondContact CA-O 3.35Å; E89-N134 PolarHBondContact OE2-N 3.04Å; E89-L137 HydrophobicContact CB-CD2 3.95Å; E89-L137 HydrophobicContact CG-CD2 4.23Å; E89-G138 VanDerWaalsContact CB-CA 3.49Å; E89-L280 HydrophobicContact CG-CD1 4.2Å; E89-Y281 HydrophobicContact CG-CE2 3.85Å; E89-Y281 WeakPolarHBondContact OE1-CE2 3.47Å; E89-Y281 PolarHBondContact OE1-OH 3.01Å
90	F	96.8	Very high	97.2	Very high	3 Å²	3	11.6 Å²	11.6	1%	0.013	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	97.3	166.3	-72.5	-81.9	0	0	0	109.3	Y85 S87 M92 L132 A141 L145 Y158 M242 L244	Y85-F90 HydrophobicContact CD1-CE1 4.33Å; Y85-F90 HydrophobicContact CD1-CZ 4.3Å; S87-F90 WeakPolarHBondContact O-CE2 3.19Å; F90-M92 VanDerWaalsContact C-N 3.31Å; F90-M92 HydrophobicContact CB-CG 4.17Å; F90-M92 HydrophobicContact CB-SD 4.14Å; F90-M92 PolarHBondContact O-N 3.17Å; F90-L132 PolarHBondContact N-O 3.39Å; F90-L132 CarbonylContact O-C 3.28Å; F90-L132 WeakPolarHBondContact O-CB 3.27Å; F90-A141 HydrophobicContact CD1-CB 3.76Å; F90-A141 HydrophobicContact CE1-CB 3.76Å; F90-L145 HydrophobicContact CD1-CD1 3.55Å; F90-L145 HydrophobicContact CD1-CG 4.36Å; 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 3.3Å; F90-M242 HydrophobicContact CB-SD 3.82Å; F90-M242 HydrophobicContact CD1-SD 3.96Å; F90-M242 HydrophobicContact CD2-SD 4.17Å; F90-M242 HydrophobicContact CG-SD 3.71Å; F90-L244 HydrophobicContact CD2-CD2 4.15Å
91	Y	96.2	Very high	97.2	Very high	18 Å²	18	11 Å²	11	7%	0.071	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	74.5	-176.4	-155.3	3.7	0	0	0	110.6	G138 R139 I166 R648 V649	Y91-G138 PolarHBondContact N-O 3.13Å; Y91-R139 VanDerWaalsContact O-CD 3.29Å; Y91-R139 WeakPolarHBondContact O-CD 3.29Å; Y91-R139 PolarHBondContact O-NH1 3.07Å; Y91-I166 HydrophobicContact CE1-CG2 4.32Å; Y91-R648 VanDerWaalsContact OH-CA 3.3Å; Y91-R648 WeakPolarHBondContact OH-CA 3.43Å; Y91-R648 WeakPolarHBondContact OH-CB 3.45Å; Y91-V649 HydrophobicContact CD1-CG2 3.68Å; Y91-V649 HydrophobicContact CD2-CG2 4.09Å; Y91-V649 HydrophobicContact CE1-CG2 3.87Å; Y91-V649 HydrophobicContact CE2-CG2 4.26Å; Y91-V649 HydrophobicContact CG-CG2 3.82Å
92	M	97.3	Very high	97.2	Very high	22 Å²	22	8.8 Å²	8.8	11%	0.108	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-38.7	-165.8	-63.7	-56.9	-70	0	0	113.6	F90 A130 R139 A142 L145 I231 M242	F90-M92 VanDerWaalsContact C-N 3.31Å; F90-M92 HydrophobicContact CB-CG 4.17Å; F90-M92 HydrophobicContact CB-SD 4.14Å; F90-M92 PolarHBondContact O-N 3.17Å; M92-A130 HydrophobicContact CB-CB 4.08Å; M92-A130 PolarHBondContact N-O 2.94Å; M92-R139 PolarHBondContact O-NH1 3.42Å; M92-A142 HydrophobicContact SD-CB 3.51Å; M92-A142 VanDerWaalsContact SD-CB 3.51Å; M92-L145 HydrophobicContact SD-CD1 4.29Å; M92-I231 HydrophobicContact CE-CD1 3.68Å; M92-M242 HydrophobicContact CE-CE 4.49Å; M92-M242 HydrophobicContact CE-SD 4.47Å; M92-M242 HydrophobicContact CG-CE 4.01Å; M92-M242 HydrophobicContact CG-SD 4.16Å; M92-M242 HydrophobicContact SD-CE 4.38Å; M92-M242 HydrophobicContact SD-SD 3.95Å
93	G	96.6	Very high	96.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.7	-152.8	-170.1	0	0	0	0	0	111.9	A130	G93-A130 PolarHBondContact O-N 3.05Å; G93-A130 VanDerWaalsContact O-N 3.14Å
94	R	98	Very high	96.5	Very high	26 Å²	26	11.1 Å²	11.1	10%	0.098	6%	0.064	C	C	.	.			trans	-76.6	145.4	175.3	-68.6	179.1	176.9	158.3	-6.2	111.8	E124 E125 E127 D129 R489	R94-E124 PolarHBondContact NE-O 3.31Å; R94-E125 IonicContact CZ-OE2 2.67Å; R94-E125 IonicContact NH1-OE1 2.97Å; R94-E125 PolarHBondContact NH1-OE1 3.1Å; R94-E125 IonicContact NH1-OE2 2.63Å; R94-E125 PolarHBondContact NH1-OE2 3.38Å; R94-E125 PolarHBondContact NH2-O 3.42Å; R94-E125 IonicContact NH2-OE2 2.73Å; R94-E125 PolarHBondContact NH2-OE2 2.66Å; R94-E127 HydrophobicContact CB-CB 4.48Å; R94-E127 HydrophobicContact CB-CG 4.14Å; R94-E127 WeakPolarHBondContact CB-OE2 3.39Å; R94-E127 HydrophobicContact CG-CB 3.99Å; R94-E127 HydrophobicContact CG-CG 3.91Å; R94-E127 PolarHBondContact NE-O 2.77Å; R94-D129 IonicContact NE-OD1 2.93Å; R94-R489 PolarHBondContact O-NH1 3.06Å; R94-R489 PolarHBondContact O-NH2 3.09Å
95	T	98.3	Very high	96.1	Very high	19 Å²	19	12 Å²	12	12%	0.117	7%	0.068	C	C	.	.			trans	-110.5	-25.9	-171.6	-57.6	0	0	0	0	113.3	N98 T99 E127 W190	T95-N98 PolarHBondContact O-N 3.22Å; T95-T99 WeakPolarHBondContact CG2-OG1 3.41Å; T95-T99 WeakPolarHBondContact O-CB 3.31Å; T95-T99 PolarHBondContact O-N 2.73Å; T95-T99 PolarHBondContact O-OG1 3.42Å; T95-E127 VanDerWaalsContact N-CD 3.26Å; T95-E127 PolarHBondContact N-OE1 2.84Å; T95-E127 PolarHBondContact N-OE2 3.09Å; T95-E127 VanDerWaalsContact N-OE2 3.14Å; T95-W190 HydrophobicContact CG2-CD2 3.71Å; T95-W190 HydrophobicContact CG2-CE3 4.04Å; T95-W190 HydrophobicContact CG2-CG 3.94Å; T95-W190 HydrophobicContact CG2-CZ2 4.46Å
96	L	98.1	Very high	95.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56.5	-59.9	-173.1	178.4	55.5	0	0	0	112.5	Y53 L56 V60 N98 T99 M100 E124 E127 W190	Y53-L96 HydrophobicContact CD2-CD2 3.93Å; Y53-L96 HydrophobicContact CE2-CD2 3.91Å; L56-L96 HydrophobicContact CD2-CD2 3.97Å; L56-L96 HydrophobicContact CG-CD1 4.21Å; L56-L96 HydrophobicContact CG-CD2 4.31Å; V60-L96 HydrophobicContact CB-CD1 4.21Å; V60-L96 HydrophobicContact CG1-CD1 4.45Å; V60-L96 HydrophobicContact CG2-CD1 3.98Å; L96-N98 PolarHBondContact O-N 3.18Å; L96-T99 WeakPolarHBondContact O-CB 3.36Å; L96-T99 PolarHBondContact O-N 2.76Å; L96-M100 HydrophobicContact CD1-CE 4.36Å; L96-M100 HydrophobicContact CD1-CG 4.48Å; L96-M100 HydrophobicContact CD1-SD 4.38Å; L96-M100 HydrophobicContact CG-CE 4.02Å; L96-M100 WeakPolarHBondContact O-CG 3.13Å; L96-M100 PolarHBondContact O-N 3.09Å; L96-E124 HydrophobicContact CD2-CG 4.27Å; L96-E127 WeakPolarHBondContact CB-OE2 3.37Å; L96-E127 PolarHBondContact N-OE1 2.82Å; L96-E127 PolarHBondContact N-OE2 3.14Å; L96-W190 VanDerWaalsContact CA-CZ2 3.48Å; L96-W190 HydrophobicContact CB-CH2 4.44Å; L96-W190 HydrophobicContact CB-CZ2 3.81Å; L96-W190 HydrophobicContact CD1-CH2 3.91Å; L96-W190 HydrophobicContact CD1-CZ2 3.96Å; L96-W190 HydrophobicContact CG-CZ2 4.49Å
97	Q	96.8	Very high	95.2	Very high	38 Å²	38	12.8 Å²	12.8	18%	0.178	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-40	-176.4	-166.7	175.7	47.6	0	0	112.3	T99 M100 I101 E124 L493	Q97-T99 VanDerWaalsContact C-N 3.3Å; Q97-T99 PolarHBondContact O-N 3.1Å; Q97-M100 HydrophobicContact CB-CE 4.44Å; Q97-M100 PolarHBondContact O-N 3.03Å; Q97-I101 HydrophobicContact CG-CD1 4.17Å; Q97-I101 WeakPolarHBondContact O-CG1 3.49Å; Q97-I101 PolarHBondContact O-N 3.02Å; Q97-E124 WeakPolarHBondContact CG-OE1 3.27Å; Q97-E124 PolarHBondContact NE2-OE1 3.43Å; Q97-E124 VanDerWaalsContact NE2-OE1 3.16Å; Q97-E124 PolarHBondContact NE2-OE2 2.81Å; Q97-L493 HydrophobicContact CB-CD1 4.12Å; Q97-L493 HydrophobicContact CB-CG 4.42Å; Q97-L493 HydrophobicContact CG-CD1 4.16Å; Q97-L493 HydrophobicContact CG-CG 3.97Å
98	N	97.6	Very high	94.9	Very high	17 Å²	17	13.1 Å²	13.1	9%	0.091	8%	0.075	C	C	.	.	H	α-helix	trans	-62.2	-38.1	175.9	175.2	-120.7	0	0	0	112.3	T95 L96 I101 N102 L493	T95-N98 PolarHBondContact O-N 3.22Å; L96-N98 PolarHBondContact O-N 3.18Å; N98-I101 PolarHBondContact O-N 3.07Å; N98-N102 WeakPolarHBondContact O-CB 3.36Å; N98-N102 PolarHBondContact O-N 3.24Å; N98-L493 HydrophobicContact CB-CD1 3.88Å
99	T	97.6	Very high	94.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.4	-46.2	174.6	-60.4	0	0	0	0	111.3	V60 L64 T95 L96 Q97 I101 N102 L103 W190	V60-T99 HydrophobicContact CG1-CG2 3.48Å; V60-T99 VanDerWaalsContact CG1-CG2 3.48Å; L64-T99 HydrophobicContact CD1-CG2 3.52Å; L64-T99 HydrophobicContact CD2-CG2 3.98Å; L64-T99 HydrophobicContact CG-CG2 3.75Å; T95-T99 WeakPolarHBondContact CG2-OG1 3.41Å; T95-T99 WeakPolarHBondContact O-CB 3.31Å; T95-T99 PolarHBondContact O-N 2.73Å; T95-T99 PolarHBondContact O-OG1 3.42Å; L96-T99 WeakPolarHBondContact O-CB 3.36Å; L96-T99 PolarHBondContact O-N 2.76Å; Q97-T99 VanDerWaalsContact C-N 3.3Å; Q97-T99 PolarHBondContact O-N 3.1Å; T99-I101 VanDerWaalsContact C-N 3.3Å; T99-I101 PolarHBondContact O-N 3.06Å; T99-N102 PolarHBondContact O-N 2.96Å; T99-L103 HydrophobicContact CG2-CD1 3.85Å; T99-L103 HydrophobicContact CG2-CG 4.34Å; T99-L103 WeakPolarHBondContact O-CB 3.47Å; T99-L103 VanDerWaalsContact O-CG 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.28Å; T99-L103 PolarHBondContact O-N 3.16Å; T99-W190 HydrophobicContact CG2-CZ3 4.37Å
100	M	95.6	Very high	94.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.1	-41.1	178.1	-69.8	-168.4	-65.1	0	0	111.8	V60 L96 Q97 G104 L105 Q106 C109 M120 E124	V60-M100 HydrophobicContact CG1-CG 3.99Å; V60-M100 HydrophobicContact CG2-CG 3.87Å; V60-M100 HydrophobicContact CG2-SD 4.1Å; L96-M100 HydrophobicContact CD1-CE 4.36Å; L96-M100 HydrophobicContact CD1-CG 4.48Å; L96-M100 HydrophobicContact CD1-SD 4.38Å; L96-M100 HydrophobicContact CG-CE 4.02Å; L96-M100 WeakPolarHBondContact O-CG 3.13Å; L96-M100 PolarHBondContact O-N 3.09Å; Q97-M100 HydrophobicContact CB-CE 4.44Å; Q97-M100 PolarHBondContact O-N 3.03Å; M100-G104 PolarHBondContact O-N 2.9Å; M100-G104 VanDerWaalsContact O-N 3.09Å; M100-L105 PolarHBondContact O-N 3.06Å; M100-Q106 HydrophobicContact CB-CB 4.38Å; M100-Q106 PolarHBondContact O-N 3.46Å; M100-C109 HydrophobicContact SD-CB 3.49Å; M100-C109 WeakPolarHBondContact SD-CB 3.48Å; M100-M120 HydrophobicContact CE-SD 3.87Å; M100-M120 HydrophobicContact SD-SD 4.25Å; M100-E124 WeakPolarHBondContact CE-OE1 3.16Å
101	I	94.4	Very high	94.4	Very high	18 Å²	18	18.1 Å²	18.1	9%	0.092	10%	0.101	C	C	.	.	H	α-helix	trans	-63.4	-52.9	175.4	-71.8	168.2	0	0	0	111.3	Q97 N98 T99 L103 G104 Y234 L492 L493	Q97-I101 HydrophobicContact CG-CD1 4.17Å; Q97-I101 WeakPolarHBondContact O-CG1 3.49Å; Q97-I101 PolarHBondContact O-N 3.02Å; N98-I101 PolarHBondContact O-N 3.07Å; T99-I101 VanDerWaalsContact C-N 3.3Å; T99-I101 PolarHBondContact O-N 3.06Å; I101-L103 PolarHBondContact O-N 3.33Å; I101-G104 PolarHBondContact O-N 2.87Å; I101-Y234 HydrophobicContact CG2-CD2 4.31Å; I101-Y234 HydrophobicContact CG2-CE2 3.98Å; I101-L492 HydrophobicContact CG2-CD2 3.53Å; I101-L492 HydrophobicContact CG2-CG 4.09Å; I101-L493 VanDerWaalsContact CD1-CA 3.49Å; I101-L493 HydrophobicContact CD1-CB 3.42Å; I101-L493 VanDerWaalsContact CD1-CB 3.42Å; I101-L493 HydrophobicContact CD1-CD1 4.03Å; I101-L493 HydrophobicContact CD1-CG 3.74Å
102	N	96	Very high	94.3	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-65.9	-24.2	-175.7	-73.7	-3.9	0	0	0	112.7	N98 T99 D146 P232 M235	N98-N102 WeakPolarHBondContact O-CB 3.36Å; N98-N102 PolarHBondContact O-N 3.24Å; T99-N102 PolarHBondContact O-N 2.96Å; N102-D146 PolarHBondContact ND2-OD1 3.21Å; N102-P232 HydrophobicContact CB-CB 4.07Å; N102-P232 HydrophobicContact CB-CG 4.06Å; N102-P232 PolarHBondContact ND2-O 3.43Å; N102-M235 PolarHBondContact O-N 3.29Å
103	L	92.8	Very high	94.2	Very high	25 Å²	25	16.5 Å²	16.5	13%	0.131	9%	0.094	C	C	.	.	H	α-helix	trans	-90.7	-8.7	174.5	-64.5	-177	0	0	0	114.6	H63 L64 T99 I101 L105	H63-L103 HydrophobicContact CB-CD1 3.97Å; L64-L103 HydrophobicContact CD2-CD1 3.86Å; L64-L103 HydrophobicContact CD2-CD2 4.04Å; L64-L103 HydrophobicContact CD2-CG 4.2Å; L64-L103 HydrophobicContact CG-CD1 4.06Å; T99-L103 HydrophobicContact CG2-CD1 3.85Å; T99-L103 HydrophobicContact CG2-CG 4.34Å; T99-L103 WeakPolarHBondContact O-CB 3.47Å; T99-L103 VanDerWaalsContact O-CG 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.28Å; T99-L103 PolarHBondContact O-N 3.16Å; I101-L103 PolarHBondContact O-N 3.33Å; L103-L105 HydrophobicContact CB-CD1 3.84Å; L103-L105 HydrophobicContact CB-CG 3.85Å; L103-L105 HydrophobicContact CD1-CD1 3.87Å
104	G	91.1	Very high	94.1	Very high	37 Å²	37	21.9 Å²	21.9	38%	0.381	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	33.9	-173.8	0	0	0	0	0	113.6	M100 I101	M100-G104 PolarHBondContact O-N 2.9Å; M100-G104 VanDerWaalsContact O-N 3.09Å; I101-G104 PolarHBondContact O-N 2.87Å
105	L	90.6	Very high	93.9	Very high	20 Å²	20	25 Å²	25	11%	0.105	13%	0.131	C	C	.	.			trans	-107.4	-7.5	-176.1	-65.9	177.7	0	0	0	114.2	H63 M100 L103 N107 A108 C109	H63-L105 HydrophobicContact CB-CD1 3.95Å; M100-L105 PolarHBondContact O-N 3.06Å; L103-L105 HydrophobicContact CB-CD1 3.84Å; L103-L105 HydrophobicContact CB-CG 3.85Å; L103-L105 HydrophobicContact CD1-CD1 3.87Å; L105-N107 PolarHBondContact O-N 3.27Å; L105-A108 PolarHBondContact O-N 2.97Å; L105-A108 VanDerWaalsContact O-N 3.12Å; L105-C109 PolarHBondContact O-N 3.08Å
106	Q	89.7	Confident	93.6	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-51	-54.7	-172.4	-170.5	74.8	25	0	0	112.8	M100 A108 C109 D110 M120 E124	M100-Q106 HydrophobicContact CB-CB 4.38Å; M100-Q106 PolarHBondContact O-N 3.46Å; Q106-A108 VanDerWaalsContact C-N 3.33Å; Q106-A108 PolarHBondContact O-N 2.89Å; Q106-C109 PolarHBondContact O-N 3.22Å; Q106-D110 WeakPolarHBondContact O-CB 3.3Å; Q106-D110 PolarHBondContact O-N 3.04Å; Q106-M120 HydrophobicContact CG-CE 4.45Å; Q106-E124 PolarHBondContact NE2-OE1 3.43Å; Q106-E124 VanDerWaalsContact NE2-OE1 3.14Å
107	N	88.4	Confident	93.4	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-35.5	-178.1	-79.5	-10.1	0	0	0	113	I14 R17 G18 V20 L105 D110 E111	I14-N107 PolarHBondContact O-ND2 2.91Å; R17-N107 HydrophobicContact CB-CB 4.3Å; R17-N107 WeakPolarHBondContact CB-ND2 3.49Å; R17-N107 WeakPolarHBondContact CB-OD1 3.24Å; R17-N107 VanDerWaalsContact CD-OD1 3.24Å; R17-N107 WeakPolarHBondContact CD-OD1 3.44Å; R17-N107 WeakPolarHBondContact O-CB 3.49Å; R17-N107 PolarHBondContact O-ND2 3.44Å; R17-N107 VanDerWaalsContact O-ND2 3.16Å; G18-N107 PolarHBondContact O-ND2 3.24Å; V20-N107 HydrophobicContact CG2-CB 3.55Å; L105-N107 PolarHBondContact O-N 3.27Å; N107-D110 PolarHBondContact O-N 3.44Å; N107-E111 WeakPolarHBondContact O-CB 3.47Å; N107-E111 PolarHBondContact O-N 3.25Å
108	A	90.8	Very high	93.4	Very high	8 Å²	8	28.3 Å²	28.3	7%	0.066	16%	0.164	C	C	.	.	H	α-helix	trans	-69.4	-37.9	179	0	0	0	0	0	111.4	N24 L28 L105 Q106 A112	N24-A108 HydrophobicContact CB-CB 4.47Å; L28-A108 VanDerWaalsContact CD1-C 3.49Å; L28-A108 HydrophobicContact CD1-CB 3.56Å; L105-A108 PolarHBondContact O-N 2.97Å; L105-A108 VanDerWaalsContact O-N 3.12Å; Q106-A108 VanDerWaalsContact C-N 3.33Å; Q106-A108 PolarHBondContact O-N 2.89Å; A108-A112 WeakPolarHBondContact O-CB 3.3Å; A108-A112 PolarHBondContact O-N 3.12Å
109	C	93.9	Very high	93.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-45.3	172.7	-72.9	0	0	0	0	111.6	L56 M100 L105 Q106 E111 A112 I113 M120	L56-C109 HydrophobicContact CD1-CB 4.48Å; M100-C109 HydrophobicContact SD-CB 3.49Å; M100-C109 WeakPolarHBondContact SD-CB 3.48Å; L105-C109 PolarHBondContact O-N 3.08Å; Q106-C109 PolarHBondContact O-N 3.22Å; C109-E111 PolarHBondContact O-N 3.44Å; C109-A112 PolarHBondContact O-N 3.27Å; C109-I113 WeakPolarHBondContact O-CB 3.43Å; C109-I113 VanDerWaalsContact O-CG1 3.25Å; C109-I113 WeakPolarHBondContact O-CG1 3.47Å; C109-I113 PolarHBondContact O-N 3.44Å; C109-M120 HydrophobicContact CB-SD 4.17Å
110	D	91.8	Very high	92.9	Very high	61 Å²	61	31.6 Å²	31.6	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-57.9	-51.3	179.5	-163.6	22.2	0	0	0	111.4	Q106 N107 A112 I113 Y114 M120	Q106-D110 WeakPolarHBondContact O-CB 3.3Å; Q106-D110 PolarHBondContact O-N 3.04Å; N107-D110 PolarHBondContact O-N 3.44Å; D110-A112 VanDerWaalsContact C-N 3.34Å; D110-A112 PolarHBondContact O-N 3.41Å; D110-I113 PolarHBondContact O-N 3.01Å; D110-Y114 VanDerWaalsContact O-CB 3.3Å; D110-Y114 WeakPolarHBondContact O-CB 3.45Å; D110-Y114 PolarHBondContact O-N 3.45Å; D110-M120 HydrophobicContact CB-CE 3.5Å; D110-M120 HydrophobicContact CB-SD 3.98Å; D110-M120 WeakPolarHBondContact OD1-CE 3.35Å
111	E	91.7	Very high	92.7	Very high	52 Å²	52	36.3 Å²	36.3	24%	0.243	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-40.1	176.8	-177.1	60.6	-146.7	0	0	112	V20 V25 N107 C109 Q115	V20-E111 HydrophobicContact CG1-CB 4.42Å; V20-E111 HydrophobicContact CG1-CG 4.46Å; V25-E111 HydrophobicContact CG1-CG 4.16Å; V25-E111 HydrophobicContact CG2-CB 4.28Å; V25-E111 HydrophobicContact CG2-CG 4.11Å; N107-E111 WeakPolarHBondContact O-CB 3.47Å; N107-E111 PolarHBondContact O-N 3.25Å; C109-E111 PolarHBondContact O-N 3.44Å; E111-Q115 WeakPolarHBondContact O-CB 3.42Å; E111-Q115 VanDerWaalsContact O-CG 3.3Å; E111-Q115 WeakPolarHBondContact O-CG 3.38Å; E111-Q115 PolarHBondContact O-N 3.01Å; E111-Q115 WeakPolarHBondContact OE1-CG 3.43Å; E111-Q115 PolarHBondContact OE1-NE2 2.79Å
112	A	93.7	Very high	92.6	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-46.6	177.2	0	0	0	0	0	112.1	V25 L28 K29 A108 C109 D110 Q115 L116	V25-A112 HydrophobicContact CG1-CB 4.12Å; L28-A112 HydrophobicContact CB-CB 3.95Å; K29-A112 HydrophobicContact CG-CB 3.79Å; A108-A112 WeakPolarHBondContact O-CB 3.3Å; A108-A112 PolarHBondContact O-N 3.12Å; C109-A112 PolarHBondContact O-N 3.27Å; D110-A112 VanDerWaalsContact C-N 3.34Å; D110-A112 PolarHBondContact O-N 3.41Å; A112-Q115 PolarHBondContact O-N 3.42Å; A112-L116 WeakPolarHBondContact O-CD1 3.43Å; A112-L116 WeakPolarHBondContact O-CG 3.48Å; A112-L116 PolarHBondContact O-N 3.23Å
113	I	94.9	Very high	92.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-68.5	-41.2	-179.7	-68	-56.2	0	0	0	110.7	F32 L56 C109 D110 Q115 L116 G117 L118 M120 L123	F32-I113 HydrophobicContact CD2-CD1 3.69Å; F32-I113 HydrophobicContact CE2-CD1 3.59Å; F32-I113 HydrophobicContact CG-CD1 4.46Å; F32-I113 HydrophobicContact CZ-CD1 4.3Å; L56-I113 HydrophobicContact CD1-CD1 4.16Å; L56-I113 HydrophobicContact CD1-CG1 4.26Å; L56-I113 HydrophobicContact CD2-CD1 4.28Å; L56-I113 HydrophobicContact CD2-CG1 4.14Å; C109-I113 WeakPolarHBondContact O-CB 3.43Å; C109-I113 VanDerWaalsContact O-CG1 3.25Å; C109-I113 WeakPolarHBondContact O-CG1 3.47Å; C109-I113 PolarHBondContact O-N 3.44Å; D110-I113 PolarHBondContact O-N 3.01Å; I113-Q115 PolarHBondContact O-N 2.83Å; I113-L116 HydrophobicContact CD1-CD1 4.28Å; I113-L116 CarbonylContact O-C 3.58Å; I113-L116 WeakPolarHBondContact O-CA 3.41Å; I113-L116 WeakPolarHBondContact O-CB 3.42Å; I113-L116 PolarHBondContact O-N 3.19Å; I113-G117 PolarHBondContact O-N 3.35Å; I113-L118 HydrophobicContact CG2-CB 3.57Å; I113-L118 PolarHBondContact O-N 3.33Å; I113-L118 VanDerWaalsContact O-N 3.13Å; I113-M120 HydrophobicContact CG2-CB 4.2Å; I113-L123 HydrophobicContact CD1-CD1 4.41Å; I113-L123 HydrophobicContact CG2-CD1 4.1Å
114	Y	93.8	Very high	92.7	Very high	113 Å²	113	41 Å²	41	44%	0.443	23%	0.225	S	C	.	.	H	α-helix	trans	-58.1	-48.5	173.5	175.3	-103.3	0	0	0	112	D110 L116 G117	D110-Y114 VanDerWaalsContact O-CB 3.3Å; D110-Y114 WeakPolarHBondContact O-CB 3.45Å; D110-Y114 PolarHBondContact O-N 3.45Å; Y114-L116 PolarHBondContact O-N 2.95Å; Y114-L116 VanDerWaalsContact O-N 3.15Å; Y114-G117 WeakPolarHBondContact O-CA 3.3Å; Y114-G117 PolarHBondContact O-N 3Å
115	Q	93.8	Very high	92.9	Very high	92 Å²	92	42.9 Å²	42.9	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-16.5	176.7	-71.3	-177.6	22.2	0	0	113.9	K29 E111 A112 I113 G117	K29-Q115 HydrophobicContact CD-CB 4.23Å; E111-Q115 WeakPolarHBondContact O-CB 3.42Å; E111-Q115 VanDerWaalsContact O-CG 3.3Å; E111-Q115 WeakPolarHBondContact O-CG 3.38Å; E111-Q115 PolarHBondContact O-N 3.01Å; E111-Q115 WeakPolarHBondContact OE1-CG 3.43Å; E111-Q115 PolarHBondContact OE1-NE2 2.79Å; A112-Q115 PolarHBondContact O-N 3.42Å; I113-Q115 PolarHBondContact O-N 2.83Å; Q115-G117 VanDerWaalsContact C-N 3.33Å
116	L	92.8	Very high	93.2	Very high	21 Å²	21	43.3 Å²	43.3	11%	0.11	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.1	173	-66	166	0	0	0	112.5	K29 F32 A112 I113 Y114	K29-L116 HydrophobicContact CG-CD1 4.15Å; K29-L116 HydrophobicContact CG-CD2 4.4Å; K29-L116 HydrophobicContact CG-CG 4.17Å; F32-L116 HydrophobicContact CB-CD1 4.27Å; F32-L116 HydrophobicContact CD1-CD1 3.66Å; F32-L116 HydrophobicContact CE1-CD1 4.1Å; F32-L116 HydrophobicContact CG-CD1 3.92Å; A112-L116 WeakPolarHBondContact O-CD1 3.43Å; A112-L116 WeakPolarHBondContact O-CG 3.48Å; A112-L116 PolarHBondContact O-N 3.23Å; I113-L116 HydrophobicContact CD1-CD1 4.28Å; I113-L116 CarbonylContact O-C 3.58Å; I113-L116 WeakPolarHBondContact O-CA 3.41Å; I113-L116 WeakPolarHBondContact O-CB 3.42Å; I113-L116 PolarHBondContact O-N 3.19Å; Y114-L116 PolarHBondContact O-N 2.95Å; Y114-L116 VanDerWaalsContact O-N 3.15Å
117	G	94.3	Very high	93.6	Very high	67 Å²	67	43.4 Å²	43.4	69%	0.691	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	26.1	179	0	0	0	0	0	113.9	I113 Y114 Q115	I113-G117 PolarHBondContact O-N 3.35Å; Y114-G117 WeakPolarHBondContact O-CA 3.3Å; Y114-G117 PolarHBondContact O-N 3Å; Q115-G117 VanDerWaalsContact C-N 3.33Å
118	L	95.5	Very high	93.9	Very high	39 Å²	39	46.3 Å²	46.3	20%	0.204	24%	0.241	C	C	.	.			trans	-121	159.4	-176.1	-61.9	175	0	0	0	110.6	F32 Y52 I113 L123	F32-L118 HydrophobicContact CE1-CD1 4.26Å; F32-L118 HydrophobicContact CZ-CD1 3.71Å; Y52-L118 HydrophobicContact CD1-CD1 3.92Å; Y52-L118 HydrophobicContact CD2-CD1 4.05Å; Y52-L118 HydrophobicContact CD2-CD2 3.66Å; Y52-L118 HydrophobicContact CE1-CD1 4.37Å; Y52-L118 HydrophobicContact CE2-CD2 3.7Å; Y52-L118 HydrophobicContact CG-CD1 3.74Å; Y52-L118 HydrophobicContact CG-CD2 4.23Å; I113-L118 HydrophobicContact CG2-CB 3.57Å; I113-L118 PolarHBondContact O-N 3.33Å; I113-L118 VanDerWaalsContact O-N 3.13Å; L118-L123 HydrophobicContact CD1-CD1 4.49Å
119	D	93.4	Very high	94.2	Very high	80 Å²	80	46.6 Å²	46.6	43%	0.428	24%	0.241	S	C	.	.			trans	-104.7	122.7	174.1	-173.6	-27.3	0	0	0	109.9	E121 E122 L123	D119-E121 PolarHBondContact OD1-N 2.94Å; D119-E122 HydrophobicContact CB-CB 4.14Å; D119-E122 HydrophobicContact CB-CG 3.9Å; D119-E122 PolarHBondContact O-N 3.18Å; D119-L123 WeakPolarHBondContact O-CG 3.46Å; D119-L123 PolarHBondContact O-N 3.24Å
120	M	92.6	Very high	94.3	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-36.9	-178.1	-171.8	175.1	61.8	0	0	112.7	M100 Q106 C109 D110 I113 E122 L123 E124	M100-M120 HydrophobicContact CE-SD 3.87Å; M100-M120 HydrophobicContact SD-SD 4.25Å; Q106-M120 HydrophobicContact CG-CE 4.45Å; C109-M120 HydrophobicContact CB-SD 4.17Å; D110-M120 HydrophobicContact CB-CE 3.5Å; D110-M120 HydrophobicContact CB-SD 3.98Å; D110-M120 WeakPolarHBondContact OD1-CE 3.35Å; I113-M120 HydrophobicContact CG2-CB 4.2Å; M120-E122 VanDerWaalsContact C-N 3.29Å; M120-E122 PolarHBondContact O-N 3.49Å; M120-L123 PolarHBondContact O-N 3.19Å; M120-L123 VanDerWaalsContact O-N 3.15Å; M120-E124 HydrophobicContact CG-CG 4.39Å; M120-E124 WeakPolarHBondContact O-CG 3.27Å; M120-E124 PolarHBondContact O-N 2.83Å
121	E	91.4	Very high	94.2	Very high	100 Å²	100	44.3 Å²	44.3	47%	0.467	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-37.5	178.6	-68.8	-163.6	-178.3	0	0	110.4	D119 L123 E124 E125 K543	D119-E121 PolarHBondContact OD1-N 2.94Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 2.83Å; E121-E124 PolarHBondContact O-N 3.27Å; E121-E125 WeakPolarHBondContact O-CG 3.45Å; E121-E125 PolarHBondContact O-N 3.49Å; E121-E125 VanDerWaalsContact O-N 3.1Å; E121-K543 VanDerWaalsContact CD-NZ 3.34Å; E121-K543 IonicContact OE1-NZ 2.99Å; E121-K543 PolarHBondContact OE1-NZ 2.91Å; E121-K543 VanDerWaalsContact OE1-NZ 3.14Å; E121-K543 IonicContact OE2-NZ 3.14Å; E121-K543 PolarHBondContact OE2-NZ 2.82Å
122	E	92.3	Very high	94.2	Very high	122 Å²	122	42 Å²	42	57%	0.57	22%	0.22	S	C	*	.	H	α-helix	trans	-63.8	-36.6	175	-68	-167.2	158.7	0	0	112.3	D119 M120 V126	D119-E122 HydrophobicContact CB-CB 4.14Å; D119-E122 HydrophobicContact CB-CG 3.9Å; D119-E122 PolarHBondContact O-N 3.18Å; M120-E122 VanDerWaalsContact C-N 3.29Å; M120-E122 PolarHBondContact O-N 3.49Å; E122-V126 WeakPolarHBondContact O-CG2 3.35Å
123	L	95.8	Very high	94	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-73	-38.9	176.9	-60.3	-175	0	0	0	112.3	P49 Y53 L56 I113 L118 D119 M120 E121 E125 V126	P49-L123 WeakPolarHBondContact O-CD2 3.21Å; Y53-L123 WeakPolarHBondContact CD2-O 3.35Å; L56-L123 HydrophobicContact CD2-CD1 4.2Å; I113-L123 HydrophobicContact CD1-CD1 4.41Å; I113-L123 HydrophobicContact CG2-CD1 4.1Å; L118-L123 HydrophobicContact CD1-CD1 4.49Å; D119-L123 WeakPolarHBondContact O-CG 3.46Å; D119-L123 PolarHBondContact O-N 3.24Å; M120-L123 PolarHBondContact O-N 3.19Å; M120-L123 VanDerWaalsContact O-N 3.15Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 2.83Å; L123-E125 PolarHBondContact O-N 2.92Å; L123-V126 WeakPolarHBondContact O-CB 3.43Å; L123-V126 PolarHBondContact O-N 2.95Å; L123-V126 VanDerWaalsContact O-N 3.15Å
124	E	94.9	Very high	93.3	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-33.8	174.8	-72.5	173.2	164.3	0	0	111.3	R94 L96 Q97 M100 Q106 M120 E121 V126 E127	R94-E124 PolarHBondContact NE-O 3.31Å; L96-E124 HydrophobicContact CD2-CG 4.27Å; Q97-E124 WeakPolarHBondContact CG-OE1 3.27Å; Q97-E124 PolarHBondContact NE2-OE1 3.43Å; Q97-E124 VanDerWaalsContact NE2-OE1 3.16Å; Q97-E124 PolarHBondContact NE2-OE2 2.81Å; M100-E124 WeakPolarHBondContact CE-OE1 3.16Å; Q106-E124 PolarHBondContact NE2-OE1 3.43Å; Q106-E124 VanDerWaalsContact NE2-OE1 3.14Å; M120-E124 HydrophobicContact CG-CG 4.39Å; M120-E124 WeakPolarHBondContact O-CG 3.27Å; M120-E124 PolarHBondContact O-N 2.83Å; E121-E124 PolarHBondContact O-N 3.27Å; E124-V126 VanDerWaalsContact C-N 3.29Å; E124-V126 PolarHBondContact O-N 2.91Å; E124-E127 PolarHBondContact O-N 3.15Å
125	E	94.4	Very high	92.9	Very high	77 Å²	77	38.5 Å²	38.5	36%	0.36	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-17.9	176.5	-73.5	-58.7	146.3	0	0	114.7	R94 E121 L123 E127 K654	R94-E125 IonicContact CZ-OE2 2.67Å; R94-E125 IonicContact NH1-OE1 2.97Å; R94-E125 PolarHBondContact NH1-OE1 3.1Å; R94-E125 IonicContact NH1-OE2 2.63Å; R94-E125 PolarHBondContact NH1-OE2 3.38Å; R94-E125 PolarHBondContact NH2-O 3.42Å; R94-E125 IonicContact NH2-OE2 2.73Å; R94-E125 PolarHBondContact NH2-OE2 2.66Å; E121-E125 WeakPolarHBondContact O-CG 3.45Å; E121-E125 PolarHBondContact O-N 3.49Å; E121-E125 VanDerWaalsContact O-N 3.1Å; L123-E125 PolarHBondContact O-N 2.92Å; E125-E127 VanDerWaalsContact C-N 3.33Å; E125-K654 WeakPolarHBondContact OE1-CE 3.36Å; E125-K654 IonicContact OE1-NZ 3.24Å; E125-K654 PolarHBondContact OE1-NZ 2.8Å; E125-K654 IonicContact OE2-NZ 3.07Å; E125-K654 PolarHBondContact OE2-NZ 2.98Å
126	V	96.9	Very high	92.6	Very high	28 Å²	28	36.2 Å²	36.2	17%	0.17	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.7	176.6	-177.8	0	0	0	0	112.3	P49 R50 Y53 E122 L123 E124 E128	P49-V126 HydrophobicContact CB-CG2 4.23Å; R50-V126 HydrophobicContact CB-CG1 3.96Å; R50-V126 HydrophobicContact CG-CG1 4.05Å; Y53-V126 HydrophobicContact CD1-CG1 4.33Å; Y53-V126 HydrophobicContact CG-CB 4.26Å; Y53-V126 HydrophobicContact CG-CG1 4.34Å; E122-V126 WeakPolarHBondContact O-CG2 3.35Å; L123-V126 WeakPolarHBondContact O-CB 3.43Å; L123-V126 PolarHBondContact O-N 2.95Å; L123-V126 VanDerWaalsContact O-N 3.15Å; E124-V126 VanDerWaalsContact C-N 3.29Å; E124-V126 PolarHBondContact O-N 2.91Å; V126-E128 PolarHBondContact O-N 3.16Å
127	E	97.9	Very high	92.5	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.037	22%	0.215	C	C	.	.	S	Bend	trans	-65.5	129	178.4	-172.5	169.9	-163.5	0	0	110.7	Y53 R94 T95 L96 E124 E125 W190	Y53-E127 HydrophobicContact CD2-CB 4.33Å; Y53-E127 HydrophobicContact CE2-CB 3.58Å; Y53-E127 HydrophobicContact CE2-CG 3.97Å; Y53-E127 VanDerWaalsContact OH-CG 3.31Å; Y53-E127 WeakPolarHBondContact OH-CG 3.23Å; R94-E127 HydrophobicContact CB-CB 4.48Å; R94-E127 HydrophobicContact CB-CG 4.14Å; R94-E127 WeakPolarHBondContact CB-OE2 3.39Å; R94-E127 HydrophobicContact CG-CB 3.99Å; R94-E127 HydrophobicContact CG-CG 3.91Å; R94-E127 PolarHBondContact NE-O 2.77Å; T95-E127 VanDerWaalsContact N-CD 3.26Å; T95-E127 PolarHBondContact N-OE1 2.84Å; T95-E127 PolarHBondContact N-OE2 3.09Å; T95-E127 VanDerWaalsContact N-OE2 3.14Å; L96-E127 WeakPolarHBondContact CB-OE2 3.37Å; L96-E127 PolarHBondContact N-OE1 2.82Å; L96-E127 PolarHBondContact N-OE2 3.14Å; E124-E127 PolarHBondContact O-N 3.15Å; E125-E127 VanDerWaalsContact C-N 3.33Å; E127-W190 PolarHBondContact OE1-NE1 3.37Å
128	E	96.2	Very high	92.4	Very high	74 Å²	74	33.2 Å²	33.2	35%	0.346	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-77.8	142.5	172.4	-54.8	-67.1	171.5	0	0	109.7	R50 V126 A130 W183	R50-E128 IonicContact NH1-OE1 2.65Å; R50-E128 IonicContact NH2-OE1 3.55Å; V126-E128 PolarHBondContact O-N 3.16Å; E128-A130 PolarHBondContact O-N 2.98Å; E128-W183 HydrophobicContact CB-CB 4.39Å
129	D	96.1	Very high	92.5	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.07	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-66.1	132.2	172	-78.4	52.6	0	0	0	109.9	R94 G131 V649 S650	R94-D129 IonicContact NE-OD1 2.93Å; D129-G131 PolarHBondContact O-N 2.78Å; D129-V649 PolarHBondContact OD2-N 3.07Å; D129-S650 VanDerWaalsContact CG-OG 3.31Å; D129-S650 WeakPolarHBondContact OD1-CB 3.43Å; D129-S650 PolarHBondContact OD1-OG 3.07Å; D129-S650 PolarHBondContact OD2-N 3.32Å; D129-S650 PolarHBondContact OD2-OG 3.24Å
130	A	95.4	Very high	92.6	Very high	12 Å²	12	28.2 Å²	28.2	10%	0.099	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	82.6	162.9	0	0	0	0	0	109.5	M92 G93 E128 L132 W183	M92-A130 HydrophobicContact CB-CB 4.08Å; M92-A130 PolarHBondContact N-O 2.94Å; G93-A130 PolarHBondContact O-N 3.05Å; G93-A130 VanDerWaalsContact O-N 3.14Å; E128-A130 PolarHBondContact O-N 2.98Å; A130-L132 PolarHBondContact O-N 3.18Å; A130-W183 HydrophobicContact CB-CE3 4.06Å; A130-W183 HydrophobicContact CB-CH2 4.37Å; A130-W183 HydrophobicContact CB-CZ3 3.8Å
131	G	91.1	Very high	92.8	Very high	2 Å²	2	28 Å²	28	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	40.3	-175.4	0	0	0	0	0	115.2	D129 G133 G165 I166	D129-G131 PolarHBondContact O-N 2.78Å; G131-G133 PolarHBondContact O-N 3.4Å; G131-G165 CarbonylContact O-C 3.57Å; G131-G165 WeakPolarHBondContact O-CA 3.44Å; G131-I166 PolarHBondContact O-N 3.17Å
132	L	91.9	Very high	93.1	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	26.2	-173.6	-51.5	174.4	0	0	0	113.2	E89 F90 A130 Y162 W183 L244	E89-L132 CarbonylContact C-O 3.47Å; E89-L132 VanDerWaalsContact CA-O 3.26Å; E89-L132 WeakPolarHBondContact CA-O 3.35Å; F90-L132 PolarHBondContact N-O 3.39Å; F90-L132 CarbonylContact O-C 3.28Å; F90-L132 WeakPolarHBondContact O-CB 3.27Å; A130-L132 PolarHBondContact O-N 3.18Å; L132-Y162 HydrophobicContact CD2-CD2 4.2Å; L132-W183 HydrophobicContact CD1-CH2 4.24Å; L132-W183 HydrophobicContact CD1-CZ2 4.09Å; L132-W183 HydrophobicContact CD2-CZ2 3.72Å; L132-W183 HydrophobicContact CG-CZ2 4.2Å; L132-L244 HydrophobicContact CD1-CD1 3.4Å; L132-L244 VanDerWaalsContact CD1-CD1 3.4Å
133	G	88.5	Confident	93.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.			trans	-157.8	156.8	176.4	0	0	0	0	0	111.2	G131 I166	G131-G133 PolarHBondContact O-N 3.4Å; G133-I166 WeakPolarHBondContact O-CG2 3.26Å
134	N	81.3	Confident	93.6	Very high	29 Å²	29	17.4 Å²	17.4	16%	0.155	10%	0.104	C	C	.	.			trans	-96.2	-21.2	-172.8	-76.3	-25.3	0	0	0	113.6	E89 I166 L280 Y281	E89-N134 PolarHBondContact OE2-N 3.04Å; N134-I166 WeakPolarHBondContact OD1-CD1 3.41Å; N134-L280 WeakPolarHBondContact OD1-CD2 3.36Å; N134-Y281 WeakPolarHBondContact ND2-CD2 3.31Å; N134-Y281 WeakPolarHBondContact ND2-CE2 3.3Å
135	G	85.3	Confident	93.8	Very high	17 Å²	17	17 Å²	17	18%	0.175	10%	0.102	C	C	.	.	S	Bend	trans	-178.6	-137.7	-172.3	0	0	0	0	0	114.9	L137 R139	G135-L137 PolarHBondContact O-N 3.37Å; G135-R139 WeakPolarHBondContact O-CB 3.36Å; G135-R139 PolarHBondContact O-N 3Å
136	G	86.8	Confident	94	Very high	43 Å²	43	13.6 Å²	13.6	44%	0.443	9%	0.087	S	C	.	.	H	α-helix	trans	-59.1	-43	-172.4	0	0	0	0	0	114	R139 L140	G136-R139 PolarHBondContact O-N 2.96Å; G136-L140 VanDerWaalsContact O-CB 3.32Å; G136-L140 WeakPolarHBondContact O-CB 3.25Å; G136-L140 PolarHBondContact O-N 2.9Å
137	L	90.1	Very high	94	Very high	26 Å²	26	12.3 Å²	12.3	14%	0.136	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-53.5	179.8	-177.4	148.5	0	0	0	111.9	E89 G135 R139 L140 A141 N337 D338 H376	E89-L137 HydrophobicContact CB-CD2 3.95Å; E89-L137 HydrophobicContact CG-CD2 4.23Å; G135-L137 PolarHBondContact O-N 3.37Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 3.02Å; L137-L140 WeakPolarHBondContact O-CB 3.43Å; L137-L140 PolarHBondContact O-N 2.99Å; L137-A141 PolarHBondContact O-N 3.5Å; L137-A141 VanDerWaalsContact O-N 3.14Å; L137-N337 VanDerWaalsContact CD2-ND2 3.29Å; L137-N337 WeakPolarHBondContact CD2-ND2 3.31Å; L137-D338 HydrophobicContact CD1-CB 3.84Å; L137-H376 HydrophobicContact CD1-CB 4.38Å
138	G	92.3	Very high	94.1	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.5	-35	176	0	0	0	0	0	113.6	E89 Y91 A142	E89-G138 VanDerWaalsContact CB-CA 3.49Å; Y91-G138 PolarHBondContact N-O 3.13Å; G138-A142 PolarHBondContact O-N 2.92Å
139	R	97.1	Very high	94.2	Very high	11 Å²	11	8.4 Å²	8.4	4%	0.042	6%	0.061	C	C	.	.	H	α-helix	trans	-73.7	-32.8	178.8	-170.3	56.5	-111.8	-174	-6.1	112.6	Y91 M92 G135 G136 L137 A142 C143 W490	Y91-R139 VanDerWaalsContact O-CD 3.29Å; Y91-R139 WeakPolarHBondContact O-CD 3.29Å; Y91-R139 PolarHBondContact O-NH1 3.07Å; M92-R139 PolarHBondContact O-NH1 3.42Å; G135-R139 WeakPolarHBondContact O-CB 3.36Å; G135-R139 PolarHBondContact O-N 3Å; G136-R139 PolarHBondContact O-N 2.96Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 3.02Å; R139-A142 VanDerWaalsContact CZ-CB 3.48Å; R139-A142 PolarHBondContact O-N 3.43Å; R139-C143 PolarHBondContact O-N 3.14Å; R139-C143 PolarHBondContact O-SG 3.19Å; R139-W490 HydrophobicContact CG-CZ2 4.08Å
140	L	96.1	Very high	94.3	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.016	6%	0.061	C	C	.	.	H	α-helix	trans	-61.9	-49.7	172.1	-176.9	72.7	0	0	0	110.3	G136 L137 A142 C143 F144 H376 N483 T675	G136-L140 VanDerWaalsContact O-CB 3.32Å; G136-L140 WeakPolarHBondContact O-CB 3.25Å; G136-L140 PolarHBondContact O-N 2.9Å; L137-L140 WeakPolarHBondContact O-CB 3.43Å; L137-L140 PolarHBondContact O-N 2.99Å; L140-A142 VanDerWaalsContact C-N 3.26Å; L140-A142 PolarHBondContact O-N 2.9Å; L140-C143 WeakPolarHBondContact O-CB 3.36Å; L140-C143 PolarHBondContact O-N 3.15Å; 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 4.32Å; L140-F144 HydrophobicContact CD1-CZ 3.55Å; L140-F144 HydrophobicContact CD2-CE2 3.99Å; L140-F144 HydrophobicContact CD2-CZ 3.87Å; L140-F144 HydrophobicContact CG-CD1 4.26Å; L140-F144 HydrophobicContact CG-CD2 4.31Å; L140-F144 HydrophobicContact CG-CE1 3.84Å; L140-F144 HydrophobicContact CG-CE2 3.88Å; L140-F144 HydrophobicContact CG-CG 4.49Å; L140-F144 HydrophobicContact CG-CZ 3.63Å; L140-F144 WeakPolarHBondContact O-CG 3.43Å; L140-F144 PolarHBondContact O-N 2.89Å; L140-H376 VanDerWaalsContact CD2-CE1 3.47Å; L140-H376 WeakPolarHBondContact CD2-CE1 3.44Å; L140-N483 HydrophobicContact CD1-CB 3.97Å; L140-N483 WeakPolarHBondContact CD1-OD1 3.49Å; L140-N483 WeakPolarHBondContact CD2-OD1 3.14Å; L140-T675 HydrophobicContact CD1-CG2 4.36Å
141	A	97.4	Very high	94.4	Very high	0 Å²	0	8 Å²	8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-54.2	-43.3	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 3.63Å; F90-A141 HydrophobicContact CD1-CB 3.76Å; F90-A141 HydrophobicContact CE1-CB 3.76Å; L137-A141 PolarHBondContact O-N 3.5Å; L137-A141 VanDerWaalsContact O-N 3.14Å; A141-F144 PolarHBondContact O-N 3.33Å; A141-L145 WeakPolarHBondContact O-CG 3.13Å; A141-L145 PolarHBondContact O-N 3.39Å
142	A	98.2	Very high	94.6	Very high	2 Å²	2	8.5 Å²	8.5	2%	0.017	6%	0.063	C	C	.	.	H	α-helix	trans	-65.8	-38.5	175.8	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 2.92Å; R139-A142 VanDerWaalsContact CZ-CB 3.48Å; R139-A142 PolarHBondContact O-N 3.43Å; L140-A142 VanDerWaalsContact C-N 3.26Å; L140-A142 PolarHBondContact O-N 2.9Å; A142-D146 PolarHBondContact O-N 3.04Å
143	C	98.6	Very high	94.9	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-65.7	-39.5	172.8	-66.4	0	0	0	0	111.6	R139 L140 D146 S147 T486	R139-C143 PolarHBondContact O-N 3.14Å; R139-C143 PolarHBondContact O-SG 3.19Å; L140-C143 WeakPolarHBondContact O-CB 3.36Å; L140-C143 PolarHBondContact O-N 3.15Å; C143-D146 PolarHBondContact O-N 3.11Å; C143-S147 PolarHBondContact O-N 3.1Å; C143-T486 HydrophobicContact CB-CG2 4.13Å
144	F	98.7	Very high	95.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-63.7	-40.3	177.7	-76	3.2	0	0	0	112.2	Y85 L140 A141 D146 S147 M148 T815 I816 Y819	Y85-F144 AromaticContact CE2-CD2 3.79Å; Y85-F144 HydrophobicContact CE2-CD2 3.79Å; 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 4.32Å; L140-F144 HydrophobicContact CD1-CZ 3.55Å; L140-F144 HydrophobicContact CD2-CE2 3.99Å; L140-F144 HydrophobicContact CD2-CZ 3.87Å; L140-F144 HydrophobicContact CG-CD1 4.26Å; L140-F144 HydrophobicContact CG-CD2 4.31Å; L140-F144 HydrophobicContact CG-CE1 3.84Å; L140-F144 HydrophobicContact CG-CE2 3.88Å; L140-F144 HydrophobicContact CG-CG 4.49Å; L140-F144 HydrophobicContact CG-CZ 3.63Å; L140-F144 WeakPolarHBondContact O-CG 3.43Å; L140-F144 PolarHBondContact O-N 2.89Å; A141-F144 PolarHBondContact O-N 3.33Å; F144-D146 VanDerWaalsContact C-N 3.34Å; F144-D146 PolarHBondContact O-N 2.86Å; F144-S147 PolarHBondContact O-N 3.21Å; F144-M148 HydrophobicContact CB-CE 4.31Å; F144-M148 WeakPolarHBondContact O-CB 3.37Å; F144-M148 WeakPolarHBondContact O-CE 3.31Å; F144-M148 VanDerWaalsContact O-CG 3.27Å; F144-M148 WeakPolarHBondContact O-CG 3.5Å; F144-M148 PolarHBondContact O-N 2.72Å; F144-T815 HydrophobicContact CE1-CG2 3.73Å; F144-T815 HydrophobicContact CZ-CG2 3.62Å; F144-I816 HydrophobicContact CB-CD1 3.83Å; F144-I816 HydrophobicContact CB-CG1 4.36Å; F144-I816 HydrophobicContact CD1-CD1 3.8Å; F144-I816 HydrophobicContact CD1-CG1 4.03Å; F144-I816 HydrophobicContact CD2-CD1 3.89Å; F144-I816 HydrophobicContact CE1-CD1 4.28Å; F144-I816 HydrophobicContact CE2-CD1 4.37Å; F144-I816 HydrophobicContact CG-CD1 3.58Å; F144-I816 HydrophobicContact CG-CG1 4.23Å; F144-Y819 HydrophobicContact CE2-CE2 4.15Å; F144-Y819 HydrophobicContact CZ-CE2 4.12Å
145	L	98.8	Very high	96.1	Very high	6 Å²	6	7.8 Å²	7.8	3%	0.031	6%	0.06	C	C	.	.	H	α-helix	trans	-58.6	-44.9	174.5	-71.8	179.5	0	0	0	112.4	F90 M92 A141 M148 A149 I231 M242	F90-L145 HydrophobicContact CD1-CD1 3.55Å; F90-L145 HydrophobicContact CD1-CG 4.36Å; 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 4.29Å; A141-L145 WeakPolarHBondContact O-CG 3.13Å; A141-L145 PolarHBondContact O-N 3.39Å; L145-M148 HydrophobicContact CD2-CE 3.75Å; L145-M148 HydrophobicContact CG-CE 4.45Å; L145-A149 PolarHBondContact O-N 2.63Å; L145-A149 VanDerWaalsContact O-N 3.09Å; L145-I231 HydrophobicContact CB-CG1 4.48Å; L145-I231 HydrophobicContact CB-CG2 4.02Å; L145-I231 HydrophobicContact CD1-CD1 4.33Å; L145-I231 HydrophobicContact CD1-CG1 4.44Å; L145-I231 WeakPolarHBondContact O-CG2 3.49Å; L145-M242 HydrophobicContact CD1-CB 4.07Å; L145-M242 HydrophobicContact CD1-CG 4.06Å; L145-M242 HydrophobicContact CD1-SD 3.87Å
146	D	98.6	Very high	96.8	Very high	7 Å²	7	7.4 Å²	7.4	4%	0.037	5%	0.054	C	C	.	.	H	α-helix	trans	-64.8	-42.2	177.7	177.1	88.4	0	0	0	111.8	N102 A142 C143 F144 A149 T150 T486 R488	N102-D146 PolarHBondContact ND2-OD1 3.21Å; A142-D146 PolarHBondContact O-N 3.04Å; C143-D146 PolarHBondContact O-N 3.11Å; F144-D146 VanDerWaalsContact C-N 3.34Å; F144-D146 PolarHBondContact O-N 2.86Å; D146-A149 PolarHBondContact O-N 3.45Å; D146-T150 WeakPolarHBondContact O-CB 3.4Å; D146-T150 PolarHBondContact O-N 3.35Å; D146-T150 PolarHBondContact O-OG1 3.39Å; D146-T486 HydrophobicContact CB-CG2 4.48Å; D146-T486 VanDerWaalsContact OD2-CB 3.3Å; D146-T486 WeakPolarHBondContact OD2-CB 3.45Å; D146-T486 PolarHBondContact OD2-OG1 3.46Å; D146-R488 IonicContact OD2-CZ 3.3Å; D146-R488 IonicContact OD2-NE 3.76Å; D146-R488 PolarHBondContact OD2-NE 2.69Å; D146-R488 IonicContact OD2-NH2 3.04Å; D146-R488 PolarHBondContact OD2-NH2 3.03Å
147	S	98.6	Very high	97.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-66.1	-44.1	175	-75.6	0	0	0	0	113.3	C143 F144 A149 T150 L151 R488 S812 D813	C143-S147 PolarHBondContact O-N 3.1Å; F144-S147 PolarHBondContact O-N 3.21Å; S147-A149 VanDerWaalsContact C-N 3.3Å; S147-A149 PolarHBondContact O-N 3.16Å; S147-T150 PolarHBondContact O-N 3.49Å; S147-L151 WeakPolarHBondContact O-CB 3.46Å; S147-L151 VanDerWaalsContact O-CG 3.26Å; S147-L151 WeakPolarHBondContact O-CG 3.45Å; S147-L151 PolarHBondContact O-N 2.86Å; S147-R488 PolarHBondContact OG-NH2 2.79Å; S147-S812 VanDerWaalsContact OG-C 3.22Å; S147-S812 WeakPolarHBondContact OG-CB 3.34Å; S147-S812 PolarHBondContact OG-OG 3.46Å; S147-D813 WeakPolarHBondContact CA-OD1 3.48Å; S147-D813 WeakPolarHBondContact CB-OD1 3.25Å; S147-D813 PolarHBondContact OG-N 2.85Å; S147-D813 PolarHBondContact OG-OD1 3.46Å
148	M	98.6	Very high	97.8	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-61.6	-38.5	177.1	-72.7	-175.6	-69.8	0	0	111.8	V83 F144 L145 G152 L153 A155 I816 W824	V83-M148 HydrophobicContact CG1-SD 4.43Å; F144-M148 HydrophobicContact CB-CE 4.31Å; F144-M148 WeakPolarHBondContact O-CB 3.37Å; F144-M148 WeakPolarHBondContact O-CE 3.31Å; F144-M148 VanDerWaalsContact O-CG 3.27Å; F144-M148 WeakPolarHBondContact O-CG 3.5Å; F144-M148 PolarHBondContact O-N 2.72Å; L145-M148 HydrophobicContact CD2-CE 3.75Å; L145-M148 HydrophobicContact CG-CE 4.45Å; M148-G152 PolarHBondContact O-N 3.12Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CG-CD1 4.19Å; M148-L153 WeakPolarHBondContact O-CB 3.34Å; M148-L153 PolarHBondContact O-N 3.29Å; M148-A155 HydrophobicContact CB-CB 3.78Å; M148-A155 HydrophobicContact CE-CB 4.2Å; M148-A155 HydrophobicContact CG-CB 4.07Å; M148-A155 HydrophobicContact SD-CB 3.41Å; M148-A155 WeakPolarHBondContact SD-CB 3.4Å; M148-I816 HydrophobicContact CG-CD1 4.11Å; M148-I816 HydrophobicContact CG-CG1 4.28Å; M148-I816 HydrophobicContact CG-CG2 3.7Å; M148-W824 HydrophobicContact SD-CH2 4.08Å; M148-W824 HydrophobicContact SD-CZ3 4.15Å
149	A	98.2	Very high	98.1	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-68.8	-41.1	174.2	0	0	0	0	0	112.1	L145 D146 S147 L151 G152 I231 N236 N240	L145-A149 PolarHBondContact O-N 2.63Å; L145-A149 VanDerWaalsContact O-N 3.09Å; D146-A149 PolarHBondContact O-N 3.45Å; S147-A149 VanDerWaalsContact C-N 3.3Å; S147-A149 PolarHBondContact O-N 3.16Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 3.28Å; A149-G152 PolarHBondContact O-N 3.21Å; A149-I231 HydrophobicContact CB-CG2 4.1Å; A149-I231 WeakPolarHBondContact CB-O 3.31Å; A149-N236 PolarHBondContact O-ND2 2.93Å; A149-N240 WeakPolarHBondContact CA-ND2 3.35Å; A149-N240 HydrophobicContact CB-CB 4.24Å
150	T	98.1	Very high	98.1	Very high	12 Å²	12	3.7 Å²	3.7	7%	0.074	3%	0.025	C	C	.	.	H	α-helix	trans	-65.5	-35.5	178.8	-61.4	0	0	0	0	112.4	D146 S147 G152 Y234 N236	D146-T150 WeakPolarHBondContact O-CB 3.4Å; D146-T150 PolarHBondContact O-N 3.35Å; D146-T150 PolarHBondContact O-OG1 3.39Å; S147-T150 PolarHBondContact O-N 3.49Å; T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 3.17Å; T150-Y234 PolarHBondContact OG1-N 2.84Å; T150-Y234 VanDerWaalsContact OG1-N 3.08Å; T150-N236 WeakPolarHBondContact CA-ND2 3.45Å; T150-N236 PolarHBondContact O-ND2 2.86Å
151	L	97.6	Very high	98.2	Very high	4 Å²	4	4.8 Å²	4.8	2%	0.021	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	7.5	178.7	-66.3	170.9	0	0	0	114	S147 A149 L153 D813 I816 R817 P828 T829	S147-L151 WeakPolarHBondContact O-CB 3.46Å; S147-L151 VanDerWaalsContact O-CG 3.26Å; S147-L151 WeakPolarHBondContact O-CG 3.45Å; S147-L151 PolarHBondContact O-N 2.86Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 3.28Å; L151-L153 HydrophobicContact CB-CD1 4.47Å; L151-L153 HydrophobicContact CB-CG 4.18Å; L151-L153 PolarHBondContact O-N 2.79Å; L151-D813 HydrophobicContact CD1-CB 4.32Å; L151-D813 HydrophobicContact CD2-CB 4.48Å; L151-I816 HydrophobicContact CD1-CB 3.89Å; L151-I816 HydrophobicContact CD1-CG2 3.56Å; L151-R817 HydrophobicContact CD1-CG 3.89Å; L151-R817 HydrophobicContact CD2-CG 4.09Å; L151-P828 HydrophobicContact CB-CB 4.28Å; L151-P828 HydrophobicContact CD2-CB 4.39Å; L151-T829 CarbonylContact C-O 3.46Å; L151-T829 PolarHBondContact O-N 3.14Å
152	G	96.4	Very high	98.2	Very high	13 Å²	13	4.8 Å²	4.8	13%	0.134	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	19	176.4	0	0	0	0	0	114.8	M148 A149 T150	M148-G152 PolarHBondContact O-N 3.12Å; A149-G152 PolarHBondContact O-N 3.21Å; T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 3.17Å
153	L	97.8	Very high	97.9	Very high	5 Å²	5	8.5 Å²	8.5	3%	0.026	5%	0.046	C	C	.	.			trans	-78.2	136.9	-178.3	-61.3	179.3	0	0	0	111	Y75 M148 L151 A155 N240 I816 A820 V826 P828	Y75-L153 PolarHBondContact OH-O 3.33Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CG-CD1 4.19Å; M148-L153 WeakPolarHBondContact O-CB 3.34Å; M148-L153 PolarHBondContact O-N 3.29Å; L151-L153 HydrophobicContact CB-CD1 4.47Å; L151-L153 HydrophobicContact CB-CG 4.18Å; L151-L153 PolarHBondContact O-N 2.79Å; L153-A155 HydrophobicContact CB-CB 4.42Å; L153-A155 PolarHBondContact O-N 2.93Å; L153-N240 PolarHBondContact O-ND2 3.32Å; L153-N240 PolarHBondContact O-OD1 3.24Å; L153-I816 HydrophobicContact CD1-CG2 3.56Å; L153-A820 HydrophobicContact CD1-CB 4.01Å; L153-A820 HydrophobicContact CD2-CB 4.46Å; L153-V826 HydrophobicContact CD2-CG2 4.01Å; L153-P828 HydrophobicContact CD2-CG 4.49Å
154	A	97.5	Very high	97.6	Very high	11 Å²	11	11.7 Å²	11.7	9%	0.091	6%	0.058	C	C	.	.			trans	-74.3	70.6	174	0	0	0	0	0	111.5	Y75 P80 R82 V83	Y75-A154 HydrophobicContact CD1-CB 3.83Å; Y75-A154 HydrophobicContact CD2-CB 4.11Å; Y75-A154 HydrophobicContact CE1-CB 3.8Å; Y75-A154 HydrophobicContact CE2-CB 4.05Å; Y75-A154 HydrophobicContact CG-CB 4.02Å; P80-A154 HydrophobicContact CB-CB 4.37Å; P80-A154 HydrophobicContact CG-CB 3.53Å; R82-A154 VanDerWaalsContact CA-O 3.3Å; R82-A154 WeakPolarHBondContact CA-O 3.34Å; R82-A154 HydrophobicContact CG-CB 4.29Å; V83-A154 PolarHBondContact N-O 3.27Å
155	A	98.3	Very high	97	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.9	-170.5	0	0	0	0	0	113.2	V83 M148 L153	V83-A155 HydrophobicContact CB-CB 4.14Å; V83-A155 CarbonylContact O-C 3.6Å; V83-A155 VanDerWaalsContact O-CA 3.29Å; V83-A155 WeakPolarHBondContact O-CA 3.47Å; M148-A155 HydrophobicContact CB-CB 3.78Å; M148-A155 HydrophobicContact CE-CB 4.2Å; M148-A155 HydrophobicContact CG-CB 4.07Å; M148-A155 HydrophobicContact SD-CB 3.41Å; M148-A155 WeakPolarHBondContact SD-CB 3.4Å; L153-A155 HydrophobicContact CB-CB 4.42Å; L153-A155 PolarHBondContact O-N 2.93Å
156	Y	98.8	Very high	96.4	Very high	8 Å²	8	12.2 Å²	12.2	3%	0.031	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.7	179.1	-59.3	-98.7	0	0	0	110.2	Q72 R82 V83 Y84 Y85 Y158 T241	Q72-Y156 PolarHBondContact OE1-OH 3.48Å; R82-Y156 HydrophobicContact CB-CE2 4.45Å; R82-Y156 HydrophobicContact CG-CE2 4.24Å; V83-Y156 PolarHBondContact O-N 3.01Å; Y84-Y156 HydrophobicContact CD1-CD2 4.07Å; Y84-Y156 HydrophobicContact CD1-CG 4.25Å; Y84-Y156 AromaticContact CE1-CD2 3.51Å; Y84-Y156 HydrophobicContact CE1-CD2 3.51Å; Y84-Y156 HydrophobicContact CE1-CE2 4.21Å; Y84-Y156 AromaticContact CE1-CG 3.91Å; Y84-Y156 HydrophobicContact CE1-CG 3.91Å; Y85-Y156 PolarHBondContact N-O 3.43Å; Y156-Y158 HydrophobicContact CG-CE2 4.34Å; Y156-T241 WeakPolarHBondContact CA-O 3.41Å
157	G	98.8	Very high	96	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.6	167.2	0	0	0	0	0	110.5	T241 M242 R243	G157-T241 PolarHBondContact N-O 2.9Å; G157-T241 VanDerWaalsContact N-O 3.16Å; G157-M242 CarbonylContact O-C 3.57Å; G157-M242 WeakPolarHBondContact O-CA 3.38Å; G157-R243 PolarHBondContact O-N 3.03Å
158	Y	98.9	Very high	95.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.9	175.6	-81.2	-96.2	0	0	0	111.2	Y84 Y85 S87 F90 Y156 R243 W245 T304 D307 R311	Y84-Y158 HydrophobicContact CD1-CD2 4.07Å; Y84-Y158 AromaticContact CD1-CE2 3.57Å; Y84-Y158 HydrophobicContact CD1-CE2 3.57Å; Y84-Y158 AromaticContact CE1-CE2 3.97Å; Y84-Y158 HydrophobicContact CE1-CE2 3.97Å; Y85-Y158 PolarHBondContact O-N 2.89Å; S87-Y158 PolarHBondContact N-O 3.41Å; S87-Y158 VanDerWaalsContact O-O 3.13Å; F90-Y158 WeakPolarHBondContact CE2-O 3.3Å; Y156-Y158 HydrophobicContact CG-CE2 4.34Å; Y158-R243 WeakPolarHBondContact CA-O 3.37Å; Y158-R243 HydrophobicContact CD1-CB 4.01Å; Y158-R243 HydrophobicContact CD1-CG 4.02Å; Y158-R243 HydrophobicContact CE1-CB 3.89Å; Y158-R243 HydrophobicContact CE1-CG 3.75Å; Y158-W245 HydrophobicContact CD1-CZ2 4.19Å; Y158-W245 AromaticContact CD1-NE1 3.56Å; Y158-W245 AromaticContact CE1-CZ2 3.82Å; Y158-W245 HydrophobicContact CE1-CZ2 3.82Å; Y158-T304 HydrophobicContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-OG1 3.23Å; Y158-T304 WeakPolarHBondContact CD1-OG1 3.16Å; Y158-T304 HydrophobicContact CD2-CG2 3.9Å; Y158-T304 HydrophobicContact CE1-CG2 3.94Å; Y158-T304 HydrophobicContact CE2-CG2 4.36Å; Y158-T304 HydrophobicContact CG-CG2 3.44Å; Y158-T304 VanDerWaalsContact CG-CG2 3.44Å; Y158-D307 HydrophobicContact CE1-CB 4.46Å; Y158-D307 PolarHBondContact OH-OD2 2.95Å; Y158-R311 PolarHBondContact OH-NH1 3.49Å; Y158-R311 PolarHBondContact OH-NH2 3.27Å
159	G	98.4	Very high	95.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	-163.4	-178.7	0	0	0	0	0	113	S87 R243 L244 W245	S87-G159 VanDerWaalsContact O-CA 3.25Å; S87-G159 WeakPolarHBondContact O-CA 3.34Å; G159-R243 PolarHBondContact N-O 2.84Å; G159-R243 VanDerWaalsContact N-O 3.11Å; G159-L244 WeakPolarHBondContact O-CA 3.42Å; G159-W245 PolarHBondContact O-N 3.22Å
160	I	98.3	Very high	95.5	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.015	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.1	179	-59.6	179.7	0	0	0	109.5	Y162 Q296 V300	I160-Y162 HydrophobicContact CB-CD1 4.45Å; I160-Y162 HydrophobicContact CB-CD2 4.31Å; I160-Y162 HydrophobicContact CB-CE1 3.98Å; I160-Y162 HydrophobicContact CB-CE2 3.82Å; I160-Y162 HydrophobicContact CD1-CE1 4.28Å; I160-Y162 HydrophobicContact CG2-CD1 3.81Å; I160-Y162 HydrophobicContact CG2-CD2 4.39Å; I160-Y162 HydrophobicContact CG2-CE1 3.64Å; I160-Y162 HydrophobicContact CG2-CE2 4.23Å; I160-Y162 HydrophobicContact CG2-CG 4.2Å; I160-Y162 PolarHBondContact O-N 2.92Å; I160-Q296 HydrophobicContact CD1-CB 3.76Å; I160-Q296 HydrophobicContact CD1-CG 4.21Å; I160-Q296 WeakPolarHBondContact CD1-O 3.14Å; I160-V300 HydrophobicContact CD1-CB 4.29Å; I160-V300 HydrophobicContact CG1-CB 3.9Å; I160-V300 HydrophobicContact CG1-CG2 4.42Å
161	R	97.9	Very high	95.5	Very high	26 Å²	26	20.1 Å²	20.1	10%	0.098	10%	0.097	C	C	.	.			trans	-86.3	83.3	172	-173.1	-177.3	174.2	-80.3	6	108.5	E163 L184 E191 Y227 L244 W245	R161-E163 PolarHBondContact O-N 3.45Å; R161-L184 VanDerWaalsContact CZ-CD1 3.43Å; R161-L184 VanDerWaalsContact NH1-CD1 3.27Å; R161-L184 VanDerWaalsContact NH2-CD1 3.31Å; R161-L184 VanDerWaalsContact NH2-CD2 3.34Å; R161-E191 IonicContact CZ-OE1 3.75Å; R161-E191 IonicContact CZ-OE2 2.82Å; R161-E191 IonicContact NE-OE1 3.74Å; R161-E191 PolarHBondContact NE-OE1 2.83Å; R161-E191 IonicContact NE-OE2 2.6Å; R161-E191 PolarHBondContact NE-OE2 3.36Å; R161-E191 IonicContact NH2-OE1 3.53Å; R161-E191 PolarHBondContact NH2-OE1 3.42Å; R161-E191 IonicContact NH2-OE2 3.85Å; R161-E191 PolarHBondContact NH2-OE2 3.34Å; R161-Y227 VanDerWaalsContact CD-CG 3.42Å; R161-L244 HydrophobicContact CB-CB 3.68Å; R161-L244 HydrophobicContact CG-CB 4.49Å; R161-W245 PolarHBondContact N-O 2.89Å
162	Y	96.4	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.121	C	C	.	.			trans	-65.5	130.4	176.8	-59.3	-74.8	0	0	0	111	L88 L132 I160 Y164 W183 S277 V279 L280	L88-Y162 WeakPolarHBondContact O-CE2 3.35Å; L88-Y162 PolarHBondContact O-OH 3.01Å; L132-Y162 HydrophobicContact CD2-CD2 4.2Å; I160-Y162 HydrophobicContact CB-CD1 4.45Å; I160-Y162 HydrophobicContact CB-CD2 4.31Å; I160-Y162 HydrophobicContact CB-CE1 3.98Å; I160-Y162 HydrophobicContact CB-CE2 3.82Å; I160-Y162 HydrophobicContact CD1-CE1 4.28Å; I160-Y162 HydrophobicContact CG2-CD1 3.81Å; I160-Y162 HydrophobicContact CG2-CD2 4.39Å; I160-Y162 HydrophobicContact CG2-CE1 3.64Å; I160-Y162 HydrophobicContact CG2-CE2 4.23Å; I160-Y162 HydrophobicContact CG2-CG 4.2Å; I160-Y162 PolarHBondContact O-N 2.92Å; Y162-Y164 VanDerWaalsContact C-N 3.32Å; Y162-Y164 WeakPolarHBondContact CB-O 3.3Å; Y162-W183 PolarHBondContact O-NE1 2.86Å; Y162-S277 CarbonylContact C-O 3.5Å; Y162-S277 VanDerWaalsContact CA-O 3.3Å; Y162-S277 WeakPolarHBondContact CA-O 3.38Å; Y162-V279 VanDerWaalsContact CD1-C 3.46Å; Y162-V279 WeakPolarHBondContact CD1-O 3.49Å; Y162-V279 WeakPolarHBondContact CE1-O 3.27Å; Y162-L280 HydrophobicContact CD1-CB 4.32Å; Y162-L280 HydrophobicContact CD2-CB 4.04Å; Y162-L280 HydrophobicContact CD2-CD1 4.01Å; Y162-L280 HydrophobicContact CE2-CB 4.27Å; Y162-L280 HydrophobicContact CE2-CD1 3.47Å; Y162-L280 VanDerWaalsContact CE2-CD1 3.47Å; Y162-L280 HydrophobicContact CE2-CG 4.43Å; Y162-L280 HydrophobicContact CG-CB 4.06Å
163	E	93.3	Very high	95.4	Very high	80 Å²	80	32.8 Å²	32.8	37%	0.374	15%	0.152	S	C	.	.	S	Bend	trans	-65.1	-41.7	173.8	-169.5	173.3	-170	0	0	110.8	R161 W183 S277 R278	R161-E163 PolarHBondContact O-N 3.45Å; E163-W183 PolarHBondContact O-NE1 2.98Å; E163-S277 PolarHBondContact N-O 2.65Å; E163-R278 PolarHBondContact N-O 3.41Å
164	Y	91.6	Very high	95.3	Very high	68 Å²	68	33 Å²	33	27%	0.267	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-114.8	120.8	172.3	-55.5	-81	0	0	0	110	Y162 A180 D181 D182 R278 V279 L280	Y162-Y164 VanDerWaalsContact C-N 3.32Å; Y162-Y164 WeakPolarHBondContact CB-O 3.3Å; Y164-A180 HydrophobicContact CD1-CB 3.78Å; Y164-A180 HydrophobicContact CE1-CB 4.04Å; Y164-D181 VanDerWaalsContact CA-O 3.31Å; Y164-D181 WeakPolarHBondContact CA-O 3.29Å; Y164-D182 HydrophobicContact CD1-CB 4.32Å; Y164-D182 HydrophobicContact CE1-CB 3.98Å; Y164-R278 HydrophobicContact CD2-CG 3.95Å; Y164-R278 WeakPolarHBondContact CD2-O 3.47Å; Y164-R278 HydrophobicContact CE2-CG 4.11Å; Y164-R278 PolarHBondContact N-O 3.02Å; Y164-V279 WeakPolarHBondContact O-CA 3.33Å; Y164-L280 PolarHBondContact O-N 3.12Å
165	G	86.1	Confident	95.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.01	17%	0.167	C	C	.	.			trans	-71.4	-154.1	176.4	0	0	0	0	0	112.9	G131 F167 D181	G131-G165 CarbonylContact O-C 3.57Å; G131-G165 WeakPolarHBondContact O-CA 3.44Å; G165-F167 PolarHBondContact O-N 3.19Å; G165-D181 WeakPolarHBondContact CA-OD2 3.5Å; G165-D181 PolarHBondContact N-O 3.45Å
166	I	85.4	Confident	95.3	Very high	17 Å²	17	37.2 Å²	37.2	9%	0.087	17%	0.169	C	C	.	.	S	Bend	trans	-63.4	126.4	167.8	-179.8	62.7	0	0	0	109.4	Y91 G131 G133 N134 D181 L280 K607	Y91-I166 HydrophobicContact CE1-CG2 4.32Å; G131-I166 PolarHBondContact O-N 3.17Å; G133-I166 WeakPolarHBondContact O-CG2 3.26Å; N134-I166 WeakPolarHBondContact OD1-CD1 3.41Å; I166-D181 WeakPolarHBondContact O-CB 3.5Å; I166-L280 HydrophobicContact CB-CD2 4.18Å; I166-K607 HydrophobicContact CD1-CD 4.4Å; I166-K607 HydrophobicContact CG1-CD 3.71Å
167	F	90.6	Very high	95.2	Very high	26 Å²	26	38.9 Å²	38.9	11%	0.114	18%	0.18	C	C	.	.			trans	-45.2	144.4	-176.4	64.8	-97.8	0	0	0	113.2	G165 Q169 E178 E179 K607 A608 P610	G165-F167 PolarHBondContact O-N 3.19Å; F167-Q169 HydrophobicContact CE2-CB 4.17Å; F167-Q169 PolarHBondContact O-N 3.18Å; F167-E178 HydrophobicContact CB-CB 4.09Å; F167-E178 HydrophobicContact CB-CG 4.42Å; F167-E178 HydrophobicContact CD1-CB 4.5Å; F167-E178 HydrophobicContact CD1-CG 3.94Å; F167-E178 HydrophobicContact CD2-CB 3.84Å; F167-E178 HydrophobicContact CD2-CG 3.52Å; F167-E178 HydrophobicContact CE1-CG 4.06Å; F167-E178 HydrophobicContact CE2-CB 4.47Å; F167-E178 HydrophobicContact CE2-CG 3.68Å; F167-E178 HydrophobicContact CG-CB 3.89Å; F167-E178 HydrophobicContact CG-CG 3.68Å; F167-E178 HydrophobicContact CZ-CG 3.95Å; F167-E179 CarbonylContact C-O 3.53Å; F167-E179 WeakPolarHBondContact CA-O 3.46Å; F167-E179 WeakPolarHBondContact CB-O 3.09Å; F167-K607 HydrophobicContact CE2-CB 4.27Å; F167-K607 HydrophobicContact CE2-CD 4.05Å; F167-K607 HydrophobicContact CE2-CG 4.28Å; F167-K607 HydrophobicContact CZ-CB 3.92Å; F167-K607 HydrophobicContact CZ-CD 4.22Å; F167-K607 HydrophobicContact CZ-CG 4.39Å; F167-K607 WeakPolarHBondContact O-CE 3.36Å; F167-K607 PolarHBondContact O-NZ 2.69Å; F167-A608 VanDerWaalsContact CZ-O 3.27Å; F167-A608 WeakPolarHBondContact CZ-O 3.36Å; F167-P610 HydrophobicContact CD1-CG 4.03Å; F167-P610 HydrophobicContact CE1-CG 3.75Å
168	N	93.5	Very high	94.9	Very high	40 Å²	40	41.9 Å²	41.9	21%	0.214	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.6	168.6	-80.1	-50.1	0	0	0	109.3	E179 D181 N646	N168-E179 HydrophobicContact CB-CB 4.34Å; N168-E179 PolarHBondContact N-O 3.13Å; N168-E179 PolarHBondContact O-N 3.25Å; N168-D181 PolarHBondContact ND2-OD1 3.11Å; N168-N646 PolarHBondContact OD1-ND2 3.14Å
169	Q	96.1	Very high	94.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.4	178.6	-175.4	-170.3	45.7	0	0	109.4	F167 I171 Q176 G606 K607 E645 N646	F167-Q169 HydrophobicContact CE2-CB 4.17Å; F167-Q169 PolarHBondContact O-N 3.18Å; Q169-I171 HydrophobicContact CG-CD1 4.33Å; Q169-Q176 HydrophobicContact CG-CG 3.92Å; Q169-G606 PolarHBondContact NE2-O 3.21Å; Q169-K607 HydrophobicContact CB-CG 4.21Å; Q169-E645 WeakPolarHBondContact O-CG 3.22Å; Q169-N646 HydrophobicContact CB-CB 4.19Å; Q169-N646 PolarHBondContact N-OD1 3.43Å; Q169-N646 VanDerWaalsContact N-OD1 3.1Å; Q169-N646 WeakPolarHBondContact O-CB 3.46Å
170	K	96.8	Very high	94.3	Very high	76 Å²	76	48.6 Å²	48.6	33%	0.33	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.2	165.5	-68.6	-55.5	-175.4	-179.3	0	110.8	Q176 V177 E179 E645	K170-Q176 CarbonylContact O-C 3.4Å; K170-Q176 WeakPolarHBondContact O-CA 3.26Å; K170-V177 HydrophobicContact CB-CB 4.42Å; K170-V177 PolarHBondContact N-O 2.85Å; K170-V177 PolarHBondContact O-N 2.97Å; K170-E179 VanDerWaalsContact CG-CD 3.49Å; K170-E179 HydrophobicContact CG-CG 4.24Å; K170-E179 WeakPolarHBondContact CG-OE1 3.39Å; K170-E645 WeakPolarHBondContact CD-OE1 3.12Å; K170-E645 IonicContact NZ-OE1 3.41Å; K170-E645 PolarHBondContact NZ-OE1 3.44Å
171	I	96.7	Very high	93.9	Very high	43 Å²	43	49 Å²	49	22%	0.221	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	112.1	171.8	-55.8	-57.5	0	0	0	108.9	Q169 W175 Q176 I619 T623 F643 E645	Q169-I171 HydrophobicContact CG-CD1 4.33Å; I171-W175 CarbonylContact C-O 3.58Å; I171-W175 VanDerWaalsContact CA-O 3.31Å; I171-W175 WeakPolarHBondContact CA-O 3.28Å; I171-Q176 HydrophobicContact CD1-CB 4.49Å; I171-I619 HydrophobicContact CD1-CG2 3.99Å; I171-T623 HydrophobicContact CG2-CG2 4.16Å; I171-F643 HydrophobicContact CD1-CD1 3.91Å; I171-F643 HydrophobicContact CD1-CE1 3.65Å; I171-F643 HydrophobicContact CG1-CD1 3.87Å; I171-F643 HydrophobicContact CG1-CE1 4.05Å; I171-E645 HydrophobicContact CG1-CB 4.15Å; I171-E645 HydrophobicContact CG1-CG 4.24Å; I171-E645 PolarHBondContact N-OE2 3.47Å
172	R	96.6	Very high	93.6	Very high	138 Å²	138	50.1 Å²	50.1	52%	0.521	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.9	176.5	-60.9	-170.6	-170.8	174.6	0.9	109.2	G174 W175 V177 E179	R172-G174 PolarHBondContact O-N 2.63Å; R172-G174 VanDerWaalsContact O-N 3.12Å; R172-W175 PolarHBondContact N-O 3.27Å; R172-W175 WeakPolarHBondContact O-CB 3.27Å; R172-W175 PolarHBondContact O-N 3.21Å; R172-V177 HydrophobicContact CB-CG2 4.01Å; R172-V177 HydrophobicContact CG-CG2 4.04Å; R172-E179 IonicContact CZ-OE1 3.06Å; R172-E179 IonicContact NH2-OE1 3.85Å; R172-E179 PolarHBondContact NH2-OE1 3.33Å
173	D	95.3	Very high	93.5	Very high	146 Å²	146	50.9 Å²	50.9	78%	0.781	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	34.9	-175	-56	-49.4	0	0	0	113.3	W175 K620	D173-W175 VanDerWaalsContact C-N 3.29Å; D173-W175 PolarHBondContact O-N 3.1Å; D173-K620 PolarHBondContact O-NZ 3.24Å
174	G	96	Very high	93.7	Very high	9 Å²	9	48.2 Å²	48.2	9%	0.093	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	1.2	-176.8	0	0	0	0	0	115.5	R172 K620 T623	R172-G174 PolarHBondContact O-N 2.63Å; R172-G174 VanDerWaalsContact O-N 3.12Å; G174-K620 WeakPolarHBondContact O-CA 3.43Å; G174-K620 WeakPolarHBondContact O-CD 3.23Å; G174-T623 VanDerWaalsContact CA-OG1 3.22Å; G174-T623 WeakPolarHBondContact CA-OG1 3.17Å; G174-T623 PolarHBondContact O-OG1 3.21Å
175	W	98.1	Very high	93.8	Very high	91 Å²	91	51.9 Å²	51.9	35%	0.345	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.5	177.1	-66.5	98.2	0	0	0	112.3	I171 R172 D173 V177 M617 K620 L756	I171-W175 CarbonylContact C-O 3.58Å; I171-W175 VanDerWaalsContact CA-O 3.31Å; I171-W175 WeakPolarHBondContact CA-O 3.28Å; R172-W175 PolarHBondContact N-O 3.27Å; R172-W175 WeakPolarHBondContact O-CB 3.27Å; R172-W175 PolarHBondContact O-N 3.21Å; D173-W175 VanDerWaalsContact C-N 3.29Å; D173-W175 PolarHBondContact O-N 3.1Å; W175-V177 PolarHBondContact O-N 3.41Å; W175-M617 HydrophobicContact CH2-CE 4.32Å; W175-M617 HydrophobicContact CH2-SD 3.44Å; W175-M617 WeakPolarHBondContact CH2-SD 3.13Å; W175-M617 HydrophobicContact CZ3-SD 3.73Å; W175-K620 HydrophobicContact CD2-CB 4.05Å; W175-K620 HydrophobicContact CD2-CD 3.94Å; W175-K620 HydrophobicContact CD2-CG 3.99Å; W175-K620 HydrophobicContact CE3-CB 3.8Å; W175-K620 HydrophobicContact CE3-CG 4.19Å; W175-K620 HydrophobicContact CG-CD 4.17Å; W175-K620 HydrophobicContact CH2-CB 4.08Å; W175-K620 HydrophobicContact CH2-CG 3.96Å; W175-K620 HydrophobicContact CZ2-CB 4.3Å; W175-K620 HydrophobicContact CZ2-CD 4.22Å; W175-K620 HydrophobicContact CZ2-CG 3.73Å; W175-K620 HydrophobicContact CZ3-CB 3.8Å; W175-K620 HydrophobicContact CZ3-CG 4.17Å; W175-L756 HydrophobicContact CH2-CD1 4.27Å; W175-L756 HydrophobicContact CZ2-CD1 3.85Å
176	Q	97.8	Very high	94.2	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130	165.7	169.1	172.4	-57.3	0	0	110.7	Q169 K170 I171 E178 A608 I619	Q169-Q176 HydrophobicContact CG-CG 3.92Å; K170-Q176 CarbonylContact O-C 3.4Å; K170-Q176 WeakPolarHBondContact O-CA 3.26Å; I171-Q176 HydrophobicContact CD1-CB 4.49Å; Q176-E178 WeakPolarHBondContact CG-OE1 3.35Å; Q176-E178 PolarHBondContact NE2-OE1 3.23Å; Q176-A608 PolarHBondContact NE2-O 3.45Å; Q176-I619 HydrophobicContact CB-CD1 3.96Å; Q176-I619 VanDerWaalsContact OE1-CD1 3.27Å
177	V	96.1	Very high	94.7	Very high	42 Å²	42	56.9 Å²	56.9	26%	0.255	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.2	168.3	178.6	0	0	0	0	108.2	K170 R172 W175	K170-V177 HydrophobicContact CB-CB 4.42Å; K170-V177 PolarHBondContact N-O 2.85Å; K170-V177 PolarHBondContact O-N 2.97Å; R172-V177 HydrophobicContact CB-CG2 4.01Å; R172-V177 HydrophobicContact CG-CG2 4.04Å; W175-V177 PolarHBondContact O-N 3.41Å
178	E	93.6	Very high	95	Very high	64 Å²	64	56.9 Å²	56.9	30%	0.299	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.3	177	-61.8	79.7	-159.5	0	0	111.1	F167 Q176 P610 K616	F167-E178 HydrophobicContact CB-CB 4.09Å; F167-E178 HydrophobicContact CB-CG 4.42Å; F167-E178 HydrophobicContact CD1-CB 4.5Å; F167-E178 HydrophobicContact CD1-CG 3.94Å; F167-E178 HydrophobicContact CD2-CB 3.84Å; F167-E178 HydrophobicContact CD2-CG 3.52Å; F167-E178 HydrophobicContact CE1-CG 4.06Å; F167-E178 HydrophobicContact CE2-CB 4.47Å; F167-E178 HydrophobicContact CE2-CG 3.68Å; F167-E178 HydrophobicContact CG-CB 3.89Å; F167-E178 HydrophobicContact CG-CG 3.68Å; F167-E178 HydrophobicContact CZ-CG 3.95Å; Q176-E178 WeakPolarHBondContact CG-OE1 3.35Å; Q176-E178 PolarHBondContact NE2-OE1 3.23Å; E178-P610 HydrophobicContact CG-CB 4.33Å; E178-P610 HydrophobicContact CG-CG 4.1Å; E178-K616 VanDerWaalsContact CD-NZ 3.27Å; E178-K616 WeakPolarHBondContact OE1-CE 3.5Å; E178-K616 IonicContact OE1-NZ 3.74Å; E178-K616 PolarHBondContact OE1-NZ 3Å; E178-K616 IonicContact OE2-NZ 3.51Å; E178-K616 PolarHBondContact OE2-NZ 2.9Å
179	E	93.1	Very high	95.2	Very high	69 Å²	69	55.4 Å²	55.4	32%	0.322	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.8	169.5	-66.7	179.2	179.1	0	0	109.6	F167 N168 K170 R172 D181	F167-E179 CarbonylContact C-O 3.53Å; F167-E179 WeakPolarHBondContact CA-O 3.46Å; F167-E179 WeakPolarHBondContact CB-O 3.09Å; N168-E179 HydrophobicContact CB-CB 4.34Å; N168-E179 PolarHBondContact N-O 3.13Å; N168-E179 PolarHBondContact O-N 3.25Å; K170-E179 VanDerWaalsContact CG-CD 3.49Å; K170-E179 HydrophobicContact CG-CG 4.24Å; K170-E179 WeakPolarHBondContact CG-OE1 3.39Å; R172-E179 IonicContact CZ-OE1 3.06Å; R172-E179 IonicContact NH2-OE1 3.85Å; R172-E179 PolarHBondContact NH2-OE1 3.33Å; E179-D181 PolarHBondContact O-N 2.9Å
180	A	91.2	Very high	95.3	Very high	71 Å²	71	55.7 Å²	55.7	59%	0.587	28%	0.28	S	S	*	.			trans	-62.1	138.5	-179.8	0	0	0	0	0	111.3	Y164 D182	Y164-A180 HydrophobicContact CD1-CB 3.78Å; Y164-A180 HydrophobicContact CE1-CB 4.04Å; A180-D182 PolarHBondContact O-N 2.98Å
181	D	90.3	Very high	95.4	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.064	27%	0.271	C	S	.	.			trans	-90.8	84.9	175.9	179.2	38.3	0	0	0	111.1	Y164 G165 I166 N168 E179 W183	Y164-D181 VanDerWaalsContact CA-O 3.31Å; Y164-D181 WeakPolarHBondContact CA-O 3.29Å; G165-D181 WeakPolarHBondContact CA-OD2 3.5Å; G165-D181 PolarHBondContact N-O 3.45Å; I166-D181 WeakPolarHBondContact O-CB 3.5Å; N168-D181 PolarHBondContact ND2-OD1 3.11Å; E179-D181 PolarHBondContact O-N 2.9Å; D181-W183 PolarHBondContact O-N 3.33Å
182	D	91.4	Very high	95.4	Very high	50 Å²	50	55.2 Å²	55.2	27%	0.267	28%	0.277	S	S	.	.			trans	-84.2	56.2	-177.7	-169	11.2	0	0	0	112.1	Y164 A180 L184 R185	Y164-D182 HydrophobicContact CD1-CB 4.32Å; Y164-D182 HydrophobicContact CE1-CB 3.98Å; A180-D182 PolarHBondContact O-N 2.98Å; D182-L184 PolarHBondContact O-N 3.05Å; D182-R185 HydrophobicContact CB-CB 4.47Å; D182-R185 VanDerWaalsContact O-CB 3.3Å; D182-R185 WeakPolarHBondContact O-CB 3.42Å; D182-R185 PolarHBondContact O-N 3.13Å; D182-R185 PolarHBondContact OD1-N 2.97Å; D182-R185 WeakPolarHBondContact OD2-CB 3.34Å
183	W	95	Very high	95.5	Very high	16 Å²	16	50 Å²	50	6%	0.061	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.4	-176.3	74.3	-73.2	0	0	0	113.3	E128 A130 L132 Y162 E163 D181 N188	E128-W183 HydrophobicContact CB-CB 4.39Å; A130-W183 HydrophobicContact CB-CE3 4.06Å; A130-W183 HydrophobicContact CB-CH2 4.37Å; A130-W183 HydrophobicContact CB-CZ3 3.8Å; L132-W183 HydrophobicContact CD1-CH2 4.24Å; L132-W183 HydrophobicContact CD1-CZ2 4.09Å; L132-W183 HydrophobicContact CD2-CZ2 3.72Å; L132-W183 HydrophobicContact CG-CZ2 4.2Å; Y162-W183 PolarHBondContact O-NE1 2.86Å; E163-W183 PolarHBondContact O-NE1 2.98Å; D181-W183 PolarHBondContact O-N 3.33Å; W183-N188 HydrophobicContact CZ3-CB 4.17Å; W183-N188 WeakPolarHBondContact CZ3-ND2 3.48Å
184	L	95.9	Very high	95.6	Very high	23 Å²	23	46.2 Å²	46.2	12%	0.12	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.6	179.4	-68.2	171.3	0	0	0	114.3	R161 D182 H186 G187 N188	R161-L184 VanDerWaalsContact CZ-CD1 3.43Å; R161-L184 VanDerWaalsContact NH1-CD1 3.27Å; R161-L184 VanDerWaalsContact NH2-CD1 3.31Å; R161-L184 VanDerWaalsContact NH2-CD2 3.34Å; D182-L184 PolarHBondContact O-N 3.05Å; L184-H186 PolarHBondContact O-N 2.73Å; L184-G187 PolarHBondContact O-N 3.2Å; L184-N188 HydrophobicContact CD2-CB 3.8Å
185	R	94.4	Very high	95.6	Very high	145 Å²	145	49.2 Å²	49.2	55%	0.547	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-41.2	-176.4	-175.4	169.4	55.1	-141.2	-11.4	114.5	D182	D182-R185 HydrophobicContact CB-CB 4.47Å; D182-R185 VanDerWaalsContact O-CB 3.3Å; D182-R185 WeakPolarHBondContact O-CB 3.42Å; D182-R185 PolarHBondContact O-N 3.13Å; D182-R185 PolarHBondContact OD1-N 2.97Å; D182-R185 WeakPolarHBondContact OD2-CB 3.34Å
186	H	94.3	Very high	95.5	Very high	84 Å²	84	50 Å²	50	39%	0.389	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	7.4	-176.9	-59.5	-63.1	0	0	0	113.1	R50 F54 L184	R50-H186 PolarHBondContact NH1-CD2 2.88Å; R50-H186 VanDerWaalsContact NH1-CD2 3.33Å; F54-H186 HydrophobicContact CE2-CB 4.16Å; F54-H186 HydrophobicContact CZ-CB 4.1Å; F54-H186 WeakPolarHBondContact CZ-O 3.38Å; L184-H186 PolarHBondContact O-N 2.73Å
187	G	95.3	Very high	95.4	Very high	39 Å²	39	54 Å²	54	40%	0.402	28%	0.278	S	S	.	.			trans	83	156.7	-170.5	0	0	0	0	0	112.8	L184	L184-G187 PolarHBondContact O-N 3.2Å
188	N	97.7	Very high	95.4	Very high	27 Å²	27	55.2 Å²	55.2	14%	0.144	28%	0.282	C	S	.	.			trans	-111	113.2	173.6	171.7	10.8	0	0	0	108.2	W183 L184 W190 E191	W183-N188 HydrophobicContact CZ3-CB 4.17Å; W183-N188 WeakPolarHBondContact CZ3-ND2 3.48Å; L184-N188 HydrophobicContact CD2-CB 3.8Å; N188-W190 PolarHBondContact O-N 3.19Å; N188-W190 WeakPolarHBondContact OD1-CB 3.43Å; N188-W190 PolarHBondContact OD1-N 3.19Å; N188-E191 HydrophobicContact CB-CG 3.89Å; N188-E191 PolarHBondContact ND2-OE2 3.38Å
189	P	97.8	Very high	95.5	Very high	9 Å²	9	53.3 Å²	53.3	6%	0.058	27%	0.274	C	S	.	.	S	Bend	trans	-71.4	-17.8	-175.8	29.2	-31.2	0	0	0	112.5	F54 A57 R61	F54-P189 HydrophobicContact CD1-CB 4.1Å; F54-P189 HydrophobicContact CD1-CG 4.13Å; F54-P189 HydrophobicContact CE1-CB 4.21Å; F54-P189 HydrophobicContact CE1-CG 4.01Å; A57-P189 HydrophobicContact CB-CB 4.15Å; A57-P189 HydrophobicContact CB-CG 3.81Å; R61-P189 WeakPolarHBondContact CD-O 3.35Å; R61-P189 PolarHBondContact NE-O 3.5Å; R61-P189 VanDerWaalsContact NE-O 3.13Å
190	W	98.3	Very high	95.7	Very high	6 Å²	6	52.3 Å²	52.3	2%	0.023	27%	0.273	C	S	.	.	S	Bend	trans	-85	-28	-172.4	-54.5	111.2	0	0	0	113.9	A57 V60 R61 L64 T95 L96 T99 E127 N188 T229 P230	A57-W190 HydrophobicContact CB-CH2 4.27Å; A57-W190 HydrophobicContact CB-CZ2 3.88Å; V60-W190 HydrophobicContact CB-CH2 4.4Å; V60-W190 HydrophobicContact CG1-CH2 4.22Å; V60-W190 HydrophobicContact CG1-CZ3 4.5Å; R61-W190 HydrophobicContact CB-CE3 4.35Å; R61-W190 HydrophobicContact CB-CZ3 4.03Å; L64-W190 HydrophobicContact CD1-CZ3 4.34Å; T95-W190 HydrophobicContact CG2-CD2 3.71Å; T95-W190 HydrophobicContact CG2-CE3 4.04Å; T95-W190 HydrophobicContact CG2-CG 3.94Å; T95-W190 HydrophobicContact CG2-CZ2 4.46Å; L96-W190 VanDerWaalsContact CA-CZ2 3.48Å; L96-W190 HydrophobicContact CB-CH2 4.44Å; L96-W190 HydrophobicContact CB-CZ2 3.81Å; L96-W190 HydrophobicContact CD1-CH2 3.91Å; L96-W190 HydrophobicContact CD1-CZ2 3.96Å; L96-W190 HydrophobicContact CG-CZ2 4.49Å; T99-W190 HydrophobicContact CG2-CZ3 4.37Å; E127-W190 PolarHBondContact OE1-NE1 3.37Å; N188-W190 PolarHBondContact O-N 3.19Å; N188-W190 WeakPolarHBondContact OD1-CB 3.43Å; N188-W190 PolarHBondContact OD1-N 3.19Å; W190-T229 HydrophobicContact CB-CG2 4.34Å; W190-P230 VanDerWaalsContact O-CD 3.25Å; W190-P230 WeakPolarHBondContact O-CD 3.32Å
191	E	97.9	Very high	96.1	Very high	29 Å²	29	49 Å²	49	14%	0.136	25%	0.246	C	C	.	.			trans	-81.6	152.6	-177.6	66	-178.1	-158.6	0	0	112.9	R161 N188 Y227 D228	R161-E191 IonicContact CZ-OE1 3.75Å; R161-E191 IonicContact CZ-OE2 2.82Å; R161-E191 IonicContact NE-OE1 3.74Å; R161-E191 PolarHBondContact NE-OE1 2.83Å; R161-E191 IonicContact NE-OE2 2.6Å; R161-E191 PolarHBondContact NE-OE2 3.36Å; R161-E191 IonicContact NH2-OE1 3.53Å; R161-E191 PolarHBondContact NH2-OE1 3.42Å; R161-E191 IonicContact NH2-OE2 3.85Å; R161-E191 PolarHBondContact NH2-OE2 3.34Å; N188-E191 HydrophobicContact CB-CG 3.89Å; N188-E191 PolarHBondContact ND2-OE2 3.38Å; E191-Y227 HydrophobicContact CB-CD1 4.29Å; E191-Y227 HydrophobicContact CG-CD1 4.07Å; E191-D228 CarbonylContact C-O 3.59Å; E191-D228 WeakPolarHBondContact CA-O 3.48Å
192	K	98.2	Very high	96.4	Very high	80 Å²	80	51.3 Å²	51.3	35%	0.348	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	112.6	170.2	-177.7	67.5	-172.3	82.1	0	109.9	W68 D228	W68-K192 HydrophobicContact CH2-CB 4.46Å; W68-K192 HydrophobicContact CZ3-CB 4.44Å; K192-D228 PolarHBondContact N-O 3.39Å; K192-D228 PolarHBondContact O-N 3.02Å
193	A	98.1	Very high	96.6	Very high	28 Å²	28	49 Å²	49	23%	0.231	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	138.5	170	0	0	0	0	0	111.2	P195 Y227	A193-P195 VanDerWaalsContact C-CD 3.46Å; A193-Y227 HydrophobicContact CB-CD1 3.94Å; A193-Y227 HydrophobicContact CB-CE1 3.61Å
194	R	97.7	Very high	96.7	Very high	67 Å²	67	50.7 Å²	50.7	25%	0.253	25%	0.25	S	S	.	.			trans	-126.2	62.6	178.7	-63.9	-64.3	-176.1	-177.9	-1.3	111.3	E196 Y197 P226 D228	R194-E196 VanDerWaalsContact CA-OE2 3.26Å; R194-E196 WeakPolarHBondContact CA-OE2 3.35Å; R194-E196 WeakPolarHBondContact CD-OE1 3.39Å; R194-E196 IonicContact NH1-OE1 3.03Å; R194-E196 PolarHBondContact NH1-OE1 3.24Å; R194-E196 PolarHBondContact O-N 2.82Å; R194-E196 VanDerWaalsContact O-N 3.07Å; R194-Y197 HydrophobicContact CB-CD2 3.98Å; R194-Y197 HydrophobicContact CG-CD2 4.43Å; R194-Y197 PolarHBondContact O-N 2.89Å; R194-P226 HydrophobicContact CB-CB 4.39Å; R194-P226 HydrophobicContact CB-CG 3.95Å; R194-P226 PolarHBondContact N-O 3.34Å; R194-P226 WeakPolarHBondContact O-CD 3.35Å; R194-P226 WeakPolarHBondContact O-CG 3.35Å; R194-D228 WeakPolarHBondContact CG-OD2 3.45Å; R194-D228 IonicContact NE-OD2 3.18Å
195	P	96.3	Very high	96.8	Very high	71 Å²	71	51 Å²	51	46%	0.461	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57.3	-24	-178.7	26.4	-36.1	0	0	0	113.2	A193 Y197 M198 M225	A193-P195 VanDerWaalsContact C-CD 3.46Å; P195-Y197 PolarHBondContact O-N 2.7Å; P195-M198 HydrophobicContact CB-CE 4.36Å; P195-M198 WeakPolarHBondContact O-CB 3.47Å; P195-M198 PolarHBondContact O-N 2.95Å; P195-M225 HydrophobicContact CB-SD 4.25Å
196	E	95.6	Very high	96.9	Very high	108 Å²	108	49.4 Å²	49.4	51%	0.505	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-64.2	-14.6	175	67.6	-88	-156.2	0	0	114.7	R194	R194-E196 VanDerWaalsContact CA-OE2 3.26Å; R194-E196 WeakPolarHBondContact CA-OE2 3.35Å; R194-E196 WeakPolarHBondContact CD-OE1 3.39Å; R194-E196 IonicContact NH1-OE1 3.03Å; R194-E196 PolarHBondContact NH1-OE1 3.24Å; R194-E196 PolarHBondContact O-N 2.82Å; R194-E196 VanDerWaalsContact O-N 3.07Å
197	Y	95.5	Very high	97.1	Very high	94 Å²	94	46.9 Å²	46.9	37%	0.369	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-116.2	29.2	178.9	-60.2	-49.9	0	0	0	112.7	R194 P195 P226	R194-Y197 HydrophobicContact CB-CD2 3.98Å; R194-Y197 HydrophobicContact CG-CD2 4.43Å; R194-Y197 PolarHBondContact O-N 2.89Å; P195-Y197 PolarHBondContact O-N 2.7Å; Y197-P226 WeakPolarHBondContact O-CG 3.18Å
198	M	95.4	Very high	97.2	Very high	67 Å²	67	48.5 Å²	48.5	33%	0.33	24%	0.24	S	C	.	.			trans	-67.3	135.6	176.6	-159.6	173.7	-55.3	0	0	110.9	P195 L223 A224 M225	P195-M198 HydrophobicContact CB-CE 4.36Å; P195-M198 WeakPolarHBondContact O-CB 3.47Å; P195-M198 PolarHBondContact O-N 2.95Å; 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 3.58Å; M198-L223 VanDerWaalsContact SD-CD1 3.58Å; M198-L223 HydrophobicContact SD-CG 4.22Å; M198-A224 WeakPolarHBondContact CA-O 3.41Å; M198-M225 HydrophobicContact CE-CB 4.08Å; M198-M225 HydrophobicContact CE-CG 3.94Å; M198-M225 HydrophobicContact CE-SD 3.69Å; M198-M225 HydrophobicContact CG-CB 4.4Å
199	L	97	Very high	97	Very high	25 Å²	25	53.8 Å²	53.8	13%	0.131	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.8	-174.6	-67	168.5	0	0	0	111.3	L223 A224 W245 A303 Q306 D307	L199-L223 CarbonylContact O-C 3.54Å; L199-L223 WeakPolarHBondContact O-CA 3.3Å; L199-A224 PolarHBondContact N-O 3.36Å; L199-A224 PolarHBondContact O-N 2.93Å; L199-W245 HydrophobicContact CD1-CH2 3.75Å; L199-W245 HydrophobicContact CD1-CZ3 4.27Å; L199-A303 WeakPolarHBondContact CD1-O 3.48Å; L199-Q306 HydrophobicContact CD1-CB 3.9Å; L199-Q306 HydrophobicContact CD2-CB 4.43Å; L199-D307 HydrophobicContact CD1-CB 4.08Å
200	P	97.1	Very high	96.8	Very high	48 Å²	48	55.4 Å²	55.4	31%	0.312	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	142.2	174	32.6	-33.7	0	0	0	111.4	V221 L223 Q306	P200-V221 HydrophobicContact CB-CG1 3.93Å; P200-L223 HydrophobicContact CB-CD2 4.42Å; P200-Q306 PolarHBondContact O-NE2 3.34Å
201	V	98.2	Very high	96.3	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.4	170.5	177.6	0	0	0	0	107.7	F203 V221 V222 A224 Y298 F299 A302 A303	V201-F203 HydrophobicContact CG1-CD2 4.47Å; V201-F203 HydrophobicContact CG1-CE2 3.76Å; V201-F203 HydrophobicContact CG1-CZ 3.86Å; V201-V221 CarbonylContact O-C 3.53Å; V201-V221 WeakPolarHBondContact O-CA 3.4Å; V201-V222 PolarHBondContact N-O 3Å; V201-V222 PolarHBondContact O-N 3.18Å; V201-A224 HydrophobicContact CG2-CB 4.09Å; V201-Y298 HydrophobicContact CG1-CD1 4.13Å; V201-Y298 HydrophobicContact CG1-CE1 4.02Å; V201-F299 HydrophobicContact CB-CD2 4.1Å; V201-F299 HydrophobicContact CG1-CD2 4.17Å; V201-F299 HydrophobicContact CG2-CD2 3.88Å; V201-F299 HydrophobicContact CG2-CE2 4.15Å; V201-A302 HydrophobicContact CG1-CB 3.98Å; V201-A302 HydrophobicContact CG2-CB 4.17Å; V201-A303 HydrophobicContact CG2-CB 4.17Å
202	H	97.1	Very high	95.7	Very high	60 Å²	60	71.5 Å²	71.5	28%	0.278	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.5	-172.1	-63.7	-95.9	0	0	0	110.9	W216 T219 Q220 Y298	H202-W216 HydrophobicContact CB-CE3 4.2Å; H202-W216 HydrophobicContact CB-CH2 3.76Å; H202-W216 HydrophobicContact CB-CZ2 4.31Å; H202-W216 HydrophobicContact CB-CZ3 3.67Å; H202-W216 WeakPolarHBondContact O-CH2 3.48Å; H202-T219 HydrophobicContact CB-CG2 4.01Å; H202-T219 PolarHBondContact ND1-OG1 2.81Å; H202-Q220 CarbonylContact C-O 3.55Å; H202-Q220 WeakPolarHBondContact CA-O 3.13Å; H202-Y298 WeakPolarHBondContact O-CE1 3.45Å
203	F	96.9	Very high	95.3	Very high	1 Å²	1	68.8 Å²	68.8	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.5	174.1	-65.8	-75.8	0	0	0	110.4	V201 T219 Q220 V222 I276 K295 Y298 F299 L394 L395	V201-F203 HydrophobicContact CG1-CD2 4.47Å; V201-F203 HydrophobicContact CG1-CE2 3.76Å; V201-F203 HydrophobicContact CG1-CZ 3.86Å; F203-T219 CarbonylContact O-C 3.6Å; F203-T219 WeakPolarHBondContact O-CA 3.48Å; F203-T219 WeakPolarHBondContact O-CB 3.18Å; F203-Q220 PolarHBondContact N-O 3.5Å; F203-Q220 PolarHBondContact O-N 2.87Å; F203-V222 HydrophobicContact CD2-CG2 3.99Å; F203-V222 HydrophobicContact CE2-CB 4.22Å; F203-V222 HydrophobicContact CE2-CG2 3.97Å; F203-I276 HydrophobicContact CE2-CD1 3.68Å; F203-I276 HydrophobicContact CZ-CD1 3.95Å; F203-K295 HydrophobicContact CD1-CG 3.99Å; F203-K295 HydrophobicContact CE1-CB 3.92Å; F203-K295 HydrophobicContact CE1-CG 3.74Å; F203-K295 HydrophobicContact CZ-CB 4.1Å; F203-K295 HydrophobicContact CZ-CG 4.22Å; F203-Y298 HydrophobicContact CD1-CD1 4.1Å; F203-Y298 AromaticContact CE1-CD1 3.59Å; F203-Y298 HydrophobicContact CE1-CD1 3.59Å; F203-Y298 HydrophobicContact CE1-CG 4.37Å; F203-Y298 HydrophobicContact CZ-CD1 4.16Å; F203-F299 HydrophobicContact CZ-CB 4.2Å; F203-L394 HydrophobicContact CB-CD1 4.1Å; F203-L394 HydrophobicContact CD1-CD1 3.84Å; F203-L394 HydrophobicContact CD1-CD2 4.45Å; F203-L394 HydrophobicContact CD1-CG 4.1Å; F203-L394 HydrophobicContact CG-CD1 4.35Å; F203-L395 HydrophobicContact CD1-CD2 4.38Å
204	Y	96.9	Very high	95.1	Very high	52 Å²	52	68.6 Å²	68.6	20%	0.204	33%	0.333	C	S	.	.	S	Bend	trans	58.6	-136.3	179.1	-52.2	-72	0	0	0	112.5	W216 Q220 E291 K295 K393 L394	Y204-W216 WeakPolarHBondContact O-CZ2 3.45Å; Y204-W216 PolarHBondContact O-NE1 2.7Å; Y204-Q220 HydrophobicContact CD2-CB 4.07Å; Y204-Q220 VanDerWaalsContact CE2-OE1 3.24Å; Y204-E291 WeakPolarHBondContact CE1-OE1 3.28Å; Y204-E291 VanDerWaalsContact CZ-OE1 3.24Å; Y204-E291 PolarHBondContact OH-OE1 3.36Å; Y204-K295 WeakPolarHBondContact OH-CE 3.42Å; Y204-K295 PolarHBondContact OH-NZ 3.09Å; Y204-K393 WeakPolarHBondContact CA-O 3.21Å; Y204-K393 HydrophobicContact CD1-CG 4.21Å; Y204-K393 WeakPolarHBondContact CD1-O 2.95Å; Y204-K393 HydrophobicContact CE1-CG 4.31Å; Y204-L394 WeakPolarHBondContact CA-O 3.45Å; Y204-L394 HydrophobicContact CD1-CD1 3.93Å; Y204-L394 HydrophobicContact CD2-CD1 4.49Å; Y204-L394 HydrophobicContact CE1-CD1 3.56Å; Y204-L394 HydrophobicContact CE2-CD1 4.19Å; Y204-L394 HydrophobicContact CG-CD1 4.38Å; Y204-L394 PolarHBondContact N-O 3.01Å
205	G	96.4	Very high	95	Very high	29 Å²	29	69.8 Å²	69.8	30%	0.299	34%	0.34	S	S	.	.			trans	71.2	-156.4	-177.8	0	0	0	0	0	112.8	V217 D218	G205-V217 VanDerWaalsContact CA-O 3.24Å; G205-V217 WeakPolarHBondContact CA-O 3.43Å; G205-D218 WeakPolarHBondContact CA-O 3.49Å
206	R	97.9	Very high	95.1	Very high	112 Å²	112	68 Å²	68	42%	0.423	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	163.9	-177.6	61.7	-173.5	174.9	84.3	10.9	111.1	E208 V217 D218	R206-E208 IonicContact CZ-OE1 3.1Å; R206-E208 IonicContact NH1-OE1 2.72Å; R206-E208 PolarHBondContact NH1-OE1 3.04Å; R206-E208 IonicContact NH2-OE1 2.68Å; R206-E208 PolarHBondContact NH2-OE1 3.32Å; R206-V217 HydrophobicContact CG-CG2 4.07Å; R206-V217 PolarHBondContact N-O 3.07Å; R206-V217 PolarHBondContact O-N 3.09Å; R206-D218 IonicContact CZ-OD2 3.14Å; R206-D218 IonicContact NE-OD2 2.77Å; R206-D218 PolarHBondContact NE-OD2 3.38Å; R206-D218 IonicContact NH2-OD2 2.73Å; R206-D218 PolarHBondContact NH2-OD2 2.93Å
207	V	98.1	Very high	95.1	Very high	31 Å²	31	64.4 Å²	64.4	19%	0.188	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.7	174.9	-174.2	0	0	0	0	109.5	P214 K215 P396 R397	V207-P214 HydrophobicContact CG1-CB 3.74Å; V207-K215 WeakPolarHBondContact CA-O 3.43Å; V207-P396 HydrophobicContact CG2-CB 4.26Å; V207-R397 HydrophobicContact CG2-CB 3.82Å
208	E	96.9	Very high	95.1	Very high	73 Å²	73	65.2 Å²	65.2	34%	0.341	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126	168.6	-77.1	-173.9	166.2	0	0	110.5	R206 T210 P214 K215 V217	R206-E208 IonicContact CZ-OE1 3.1Å; R206-E208 IonicContact NH1-OE1 2.72Å; R206-E208 PolarHBondContact NH1-OE1 3.04Å; R206-E208 IonicContact NH2-OE1 2.68Å; R206-E208 PolarHBondContact NH2-OE1 3.32Å; E208-T210 HydrophobicContact CB-CG2 4.38Å; E208-T210 PolarHBondContact O-N 3.13Å; E208-P214 CarbonylContact O-C 3.55Å; E208-P214 WeakPolarHBondContact O-CA 3.4Å; E208-K215 PolarHBondContact N-O 3.36Å; E208-K215 PolarHBondContact O-N 3.06Å; E208-V217 HydrophobicContact CB-CG2 4.29Å; E208-V217 HydrophobicContact CG-CG2 3.63Å
209	E	94.1	Very high	95.1	Very high	138 Å²	138	63.5 Å²	63.5	65%	0.645	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.6	169.5	-65	-59.5	159.1	0	0	109.7
210	T	92.5	Very high	94.9	Very high	44 Å²	44	65.9 Å²	65.9	27%	0.27	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	168.9	177.6	79.2	0	0	0	0	110.8	E208 D212 G213 K215	E208-T210 HydrophobicContact CB-CG2 4.38Å; E208-T210 PolarHBondContact O-N 3.13Å; T210-D212 PolarHBondContact O-N 2.89Å; T210-D212 PolarHBondContact OG1-N 2.96Å; T210-G213 WeakPolarHBondContact CB-O 3.46Å; T210-G213 PolarHBondContact N-O 3.5Å; T210-G213 VanDerWaalsContact N-O 3.17Å; T210-G213 PolarHBondContact O-N 3.35Å; T210-G213 VanDerWaalsContact O-N 3.09Å; T210-G213 PolarHBondContact OG1-O 3.24Å; T210-K215 HydrophobicContact CG2-CD 3.93Å; T210-K215 HydrophobicContact CG2-CG 4.12Å
211	R	87.9	Confident	94.7	Very high	256 Å²	256	65.9 Å²	65.9	97%	0.966	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.9	175.2	-66.1	-176.8	-177.3	176.4	0.8	113	G213	R211-G213 VanDerWaalsContact C-N 3.33Å
212	D	85.2	Confident	94.5	Very high	117 Å²	117	65.9 Å²	65.9	63%	0.626	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	14.6	-179.1	-50.9	-43.3	0	0	0	112.7	T210 K357	T210-D212 PolarHBondContact O-N 2.89Å; T210-D212 PolarHBondContact OG1-N 2.96Å; D212-K357 PolarHBondContact O-NZ 3.42Å; D212-K357 VanDerWaalsContact O-NZ 3.14Å
213	G	90.1	Very high	94.5	Very high	22 Å²	22	64.8 Å²	64.8	23%	0.227	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	100	-177.9	-176.8	0	0	0	0	0	114.2	T210 R211	T210-G213 WeakPolarHBondContact CB-O 3.46Å; T210-G213 PolarHBondContact N-O 3.5Å; T210-G213 VanDerWaalsContact N-O 3.17Å; T210-G213 PolarHBondContact O-N 3.35Å; T210-G213 VanDerWaalsContact O-N 3.09Å; T210-G213 PolarHBondContact OG1-O 3.24Å; R211-G213 VanDerWaalsContact C-N 3.33Å
214	P	94	Very high	94.5	Very high	25 Å²	25	64.7 Å²	64.7	16%	0.162	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	142.8	-179.2	26.4	-33.9	0	0	0	111.4	V207 E208 R397	V207-P214 HydrophobicContact CG1-CB 3.74Å; E208-P214 CarbonylContact O-C 3.55Å; E208-P214 WeakPolarHBondContact O-CA 3.4Å; P214-R397 VanDerWaalsContact CG-CZ 3.43Å; P214-R397 VanDerWaalsContact CG-NH2 3.35Å
215	K	95.7	Very high	94.6	Very high	91 Å²	91	63.2 Å²	63.2	40%	0.396	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.8	173.5	-66.3	-173.3	-175.3	174.1	0	110.2	V207 E208 T210 V217	V207-K215 WeakPolarHBondContact CA-O 3.43Å; E208-K215 PolarHBondContact N-O 3.36Å; E208-K215 PolarHBondContact O-N 3.06Å; T210-K215 HydrophobicContact CG2-CD 3.93Å; T210-K215 HydrophobicContact CG2-CG 4.12Å; K215-V217 HydrophobicContact CB-CG1 3.96Å
216	W	97.8	Very high	94.7	Very high	33 Å²	33	61.9 Å²	61.9	13%	0.125	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.3	171.7	-171.1	22.5	0	0	0	109.5	H202 Y204 T219 Y298 L395 R397 H398	H202-W216 HydrophobicContact CB-CE3 4.2Å; H202-W216 HydrophobicContact CB-CH2 3.76Å; H202-W216 HydrophobicContact CB-CZ2 4.31Å; H202-W216 HydrophobicContact CB-CZ3 3.67Å; H202-W216 WeakPolarHBondContact O-CH2 3.48Å; Y204-W216 WeakPolarHBondContact O-CZ2 3.45Å; Y204-W216 PolarHBondContact O-NE1 2.7Å; W216-T219 HydrophobicContact CD2-CG2 3.81Å; W216-T219 HydrophobicContact CG-CG2 3.94Å; W216-T219 HydrophobicContact CZ2-CG2 4.11Å; W216-Y298 HydrophobicContact CH2-CE1 4.08Å; W216-Y298 HydrophobicContact CZ3-CE1 4.43Å; W216-Y298 WeakPolarHBondContact CZ3-OH 3.47Å; W216-L395 HydrophobicContact CH2-CD2 3.88Å; W216-L395 HydrophobicContact CZ2-CD2 4.24Å; W216-R397 HydrophobicContact CB-CB 4.26Å; W216-R397 HydrophobicContact CD2-CB 4.46Å; W216-R397 HydrophobicContact CG-CB 4.21Å; W216-H398 AromaticContact CH2-CE1 3.91Å; W216-H398 AromaticContact CZ3-CE1 3.65Å
217	V	97	Very high	94.7	Very high	33 Å²	33	57.8 Å²	57.8	20%	0.2	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	171	-170.5	-59.6	0	0	0	0	111.3	G205 R206 E208 K215 T219	G205-V217 VanDerWaalsContact CA-O 3.24Å; G205-V217 WeakPolarHBondContact CA-O 3.43Å; R206-V217 HydrophobicContact CG-CG2 4.07Å; R206-V217 PolarHBondContact N-O 3.07Å; R206-V217 PolarHBondContact O-N 3.09Å; E208-V217 HydrophobicContact CB-CG2 4.29Å; E208-V217 HydrophobicContact CG-CG2 3.63Å; K215-V217 HydrophobicContact CB-CG1 3.96Å; V217-T219 PolarHBondContact O-N 3.41Å
218	D	95.8	Very high	94.8	Very high	111 Å²	111	56.7 Å²	56.7	59%	0.594	28%	0.278	S	S	*	.	S	Bend	trans	56.2	32.5	179.6	-56.1	-23.6	0	0	0	114.1	G205 R206	G205-D218 WeakPolarHBondContact CA-O 3.49Å; R206-D218 IonicContact CZ-OD2 3.14Å; R206-D218 IonicContact NE-OD2 2.77Å; R206-D218 PolarHBondContact NE-OD2 3.38Å; R206-D218 IonicContact NH2-OD2 2.73Å; R206-D218 PolarHBondContact NH2-OD2 2.93Å
219	T	95.1	Very high	94.9	Very high	32 Å²	32	53.7 Å²	53.7	20%	0.196	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-81.4	148.4	-177	60.8	0	0	0	0	112.3	H202 F203 W216 V217	H202-T219 HydrophobicContact CB-CG2 4.01Å; H202-T219 PolarHBondContact ND1-OG1 2.81Å; F203-T219 CarbonylContact O-C 3.6Å; F203-T219 WeakPolarHBondContact O-CA 3.48Å; F203-T219 WeakPolarHBondContact O-CB 3.18Å; W216-T219 HydrophobicContact CD2-CG2 3.81Å; W216-T219 HydrophobicContact CG-CG2 3.94Å; W216-T219 HydrophobicContact CZ2-CG2 4.11Å; V217-T219 PolarHBondContact O-N 3.41Å
220	Q	91.8	Very high	95.1	Very high	74 Å²	74	47.4 Å²	47.4	35%	0.346	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.8	161.2	-173.2	179.6	14.4	0	0	109.9	H202 F203 Y204	H202-Q220 CarbonylContact C-O 3.55Å; H202-Q220 WeakPolarHBondContact CA-O 3.13Å; F203-Q220 PolarHBondContact N-O 3.5Å; F203-Q220 PolarHBondContact O-N 2.87Å; Y204-Q220 HydrophobicContact CD2-CB 4.07Å; Y204-Q220 VanDerWaalsContact CE2-OE1 3.24Å
221	V	92.8	Very high	95.4	Very high	48 Å²	48	45.8 Å²	45.8	29%	0.291	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.1	-179.3	-176.3	0	0	0	0	110.9	P200 V201 L223 P250	P200-V221 HydrophobicContact CB-CG1 3.93Å; V201-V221 CarbonylContact O-C 3.53Å; V201-V221 WeakPolarHBondContact O-CA 3.4Å; V221-L223 HydrophobicContact CG1-CD2 4.42Å; V221-P250 WeakPolarHBondContact O-CD 3.25Å
222	V	94.7	Very high	95.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.2	168.4	178.6	0	0	0	0	108	V201 F203 A247 A273 I276 F299	V201-V222 PolarHBondContact N-O 3Å; V201-V222 PolarHBondContact O-N 3.18Å; F203-V222 HydrophobicContact CD2-CG2 3.99Å; F203-V222 HydrophobicContact CE2-CB 4.22Å; F203-V222 HydrophobicContact CE2-CG2 3.97Å; V222-A247 HydrophobicContact CG1-CB 3.94Å; V222-A273 HydrophobicContact CG1-CB 4.31Å; V222-A273 HydrophobicContact CG2-CB 3.94Å; V222-I276 HydrophobicContact CG1-CD1 4.26Å; V222-I276 HydrophobicContact CG2-CD1 4.12Å; V222-F299 HydrophobicContact CG1-CD2 4.42Å; V222-F299 HydrophobicContact CG1-CE2 4.03Å
223	L	96.4	Very high	96.4	Very high	36 Å²	36	28.3 Å²	28.3	19%	0.188	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	133.5	177	-61.1	-178.2	0	0	0	110.6	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 3.58Å; M198-L223 VanDerWaalsContact SD-CD1 3.58Å; M198-L223 HydrophobicContact SD-CG 4.22Å; L199-L223 CarbonylContact O-C 3.54Å; L199-L223 WeakPolarHBondContact O-CA 3.3Å; P200-L223 HydrophobicContact CB-CD2 4.42Å; V221-L223 HydrophobicContact CG1-CD2 4.42Å; L223-A247 CarbonylContact O-C 3.6Å; L223-A247 WeakPolarHBondContact O-CA 3.22Å; L223-R248 HydrophobicContact CB-CB 4.16Å; L223-R248 PolarHBondContact N-O 3.41Å; L223-R248 PolarHBondContact O-N 3.41Å; L223-P250 HydrophobicContact CD1-CB 4.3Å; L223-P250 HydrophobicContact CG-CB 4.37Å
224	A	98.2	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.7	173.6	0	0	0	0	0	110	M198 L199 V201 W245 F299 A303	M198-A224 WeakPolarHBondContact CA-O 3.41Å; L199-A224 PolarHBondContact N-O 3.36Å; L199-A224 PolarHBondContact O-N 2.93Å; V201-A224 HydrophobicContact CG2-CB 4.09Å; A224-W245 HydrophobicContact CB-CD2 4.27Å; A224-W245 HydrophobicContact CB-CE3 3.75Å; A224-W245 HydrophobicContact CB-CZ3 4.31Å; A224-F299 HydrophobicContact CB-CE2 3.57Å; A224-F299 HydrophobicContact CB-CZ 3.56Å; A224-A303 HydrophobicContact CB-CB 3.49Å; A224-A303 VanDerWaalsContact CB-CB 3.49Å
225	M	98.2	Very high	96.7	Very high	21 Å²	21	30.7 Å²	30.7	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.4	176.4	-173.5	166.2	77	0	0	110.4	P195 M198 Y227 S246 R248	P195-M225 HydrophobicContact CB-SD 4.25Å; M198-M225 HydrophobicContact CE-CB 4.08Å; M198-M225 HydrophobicContact CE-CG 3.94Å; M198-M225 HydrophobicContact CE-SD 3.69Å; M198-M225 HydrophobicContact CG-CB 4.4Å; M225-Y227 HydrophobicContact CE-CD2 4.38Å; M225-Y227 HydrophobicContact CE-CE2 3.26Å; M225-Y227 VanDerWaalsContact CE-CZ 3.46Å; M225-Y227 WeakPolarHBondContact CE-OH 3.39Å; M225-Y227 HydrophobicContact CG-CE2 4.33Å; M225-S246 PolarHBondContact N-O 3.15Å; M225-S246 PolarHBondContact O-N 3.24Å; M225-R248 HydrophobicContact CB-CG 4.16Å
226	P	98.6	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	140	179.6	20.5	-16.5	0	0	0	112.4	R194 Y197 R243 W245	R194-P226 HydrophobicContact CB-CB 4.39Å; R194-P226 HydrophobicContact CB-CG 3.95Å; R194-P226 PolarHBondContact N-O 3.34Å; R194-P226 WeakPolarHBondContact O-CD 3.35Å; R194-P226 WeakPolarHBondContact O-CG 3.35Å; Y197-P226 WeakPolarHBondContact O-CG 3.18Å; P226-R243 HydrophobicContact CB-CG 4Å; P226-W245 HydrophobicContact CB-CE3 3.77Å; P226-W245 HydrophobicContact CB-CH2 4.02Å; P226-W245 HydrophobicContact CB-CZ3 3.46Å; P226-W245 VanDerWaalsContact CB-CZ3 3.46Å; P226-W245 HydrophobicContact CG-CE3 4.16Å; P226-W245 HydrophobicContact CG-CH2 4.14Å; P226-W245 HydrophobicContact CG-CZ3 3.48Å; P226-W245 VanDerWaalsContact CG-CZ3 3.48Å
227	Y	98.8	Very high	96.4	Very high	26 Å²	26	26.8 Å²	26.8	10%	0.102	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.4	165	-75.5	-105.9	0	0	0	109	R161 E191 A193 M225 R243 L244	R161-Y227 VanDerWaalsContact CD-CG 3.42Å; E191-Y227 HydrophobicContact CB-CD1 4.29Å; E191-Y227 HydrophobicContact CG-CD1 4.07Å; A193-Y227 HydrophobicContact CB-CD1 3.94Å; A193-Y227 HydrophobicContact CB-CE1 3.61Å; M225-Y227 HydrophobicContact CE-CD2 4.38Å; M225-Y227 HydrophobicContact CE-CE2 3.26Å; M225-Y227 VanDerWaalsContact CE-CZ 3.46Å; M225-Y227 WeakPolarHBondContact CE-OH 3.39Å; M225-Y227 HydrophobicContact CG-CE2 4.33Å; Y227-R243 WeakPolarHBondContact O-CA 3.44Å; Y227-L244 PolarHBondContact N-O 2.88Å; Y227-L244 PolarHBondContact O-N 3.48Å
228	D	98.8	Very high	96.4	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.043	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.3	-179	-69.7	-21	0	0	0	110.5	W68 E191 K192 R194 T241 R243	W68-D228 HydrophobicContact CH2-CB 3.44Å; W68-D228 VanDerWaalsContact CH2-CB 3.44Å; W68-D228 HydrophobicContact CZ2-CB 3.63Å; E191-D228 CarbonylContact C-O 3.59Å; E191-D228 WeakPolarHBondContact CA-O 3.48Å; K192-D228 PolarHBondContact N-O 3.39Å; K192-D228 PolarHBondContact O-N 3.02Å; R194-D228 WeakPolarHBondContact CG-OD2 3.45Å; R194-D228 IonicContact NE-OD2 3.18Å; D228-T241 HydrophobicContact CB-CG2 3.89Å; D228-R243 IonicContact OD1-CZ 3.77Å; D228-R243 VanDerWaalsContact OD1-CZ 3.31Å; D228-R243 IonicContact OD1-NE 3.7Å; D228-R243 PolarHBondContact OD1-NE 3.39Å; D228-R243 IonicContact OD1-NH2 3.95Å; D228-R243 PolarHBondContact OD1-NH2 3.03Å; D228-R243 IonicContact OD2-CZ 2.77Å; D228-R243 IonicContact OD2-NE 2.61Å; D228-R243 IonicContact OD2-NH2 2.86Å; D228-R243 PolarHBondContact OD2-NH2 3.38Å
229	T	98.7	Very high	96.5	Very high	10 Å²	10	20 Å²	20	6%	0.061	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.2	171.8	-58.3	0	0	0	0	109.1	W190 M242	W190-T229 HydrophobicContact CB-CG2 4.34Å; T229-M242 HydrophobicContact CG2-CE 4.17Å; T229-M242 PolarHBondContact N-O 3.23Å; T229-M242 PolarHBondContact O-N 3.15Å
230	P	98.4	Very high	96.7	Very high	7 Å²	7	18.7 Å²	18.7	5%	0.045	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138	179.3	28.9	-34	0	0	0	111.6	L64 W68 W190 V239	L64-P230 HydrophobicContact CD1-CB 4.24Å; L64-P230 HydrophobicContact CD1-CG 3.78Å; W68-P230 HydrophobicContact CD2-CB 4.13Å; W68-P230 HydrophobicContact CE3-CB 4.29Å; W68-P230 HydrophobicContact CG-CB 4.42Å; W190-P230 VanDerWaalsContact O-CD 3.25Å; W190-P230 WeakPolarHBondContact O-CD 3.32Å; P230-V239 HydrophobicContact CB-CG1 3.49Å; P230-V239 VanDerWaalsContact CB-CG1 3.49Å
231	I	98.6	Very high	97	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.051	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	97.3	176.4	-53.3	-60.1	0	0	0	108.9	M92 L145 A149 V239 N240 M242	M92-I231 HydrophobicContact CE-CD1 3.68Å; L145-I231 HydrophobicContact CB-CG1 4.48Å; L145-I231 HydrophobicContact CB-CG2 4.02Å; L145-I231 HydrophobicContact CD1-CD1 4.33Å; L145-I231 HydrophobicContact CD1-CG1 4.44Å; L145-I231 WeakPolarHBondContact O-CG2 3.49Å; A149-I231 HydrophobicContact CB-CG2 4.1Å; A149-I231 WeakPolarHBondContact CB-O 3.31Å; I231-V239 CarbonylContact O-C 3.42Å; I231-V239 WeakPolarHBondContact O-CA 3.01Å; I231-N240 HydrophobicContact CB-CB 4.33Å; I231-N240 PolarHBondContact N-O 3.38Å; I231-N240 PolarHBondContact O-N 3.35Å; I231-M242 HydrophobicContact CD1-CB 3.98Å; I231-M242 HydrophobicContact CG1-CB 4Å
232	P	97.8	Very high	97.3	Very high	4 Å²	4	13.4 Å²	13.4	3%	0.026	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	135.6	-179.1	29.4	-32.6	0	0	0	112.2	L64 N102 V239	L64-P232 HydrophobicContact CD2-CB 3.68Å; L64-P232 HydrophobicContact CD2-CG 3.97Å; N102-P232 HydrophobicContact CB-CB 4.07Å; N102-P232 HydrophobicContact CB-CG 4.06Å; N102-P232 PolarHBondContact ND2-O 3.43Å; P232-V239 HydrophobicContact CB-CG2 4.33Å
233	G	97.3	Very high	97.5	Very high	2 Å²	2	13.9 Å²	13.9	2%	0.021	7%	0.07	C	C	.	.			trans	-79.5	154.2	168	0	0	0	0	0	112.1	M235 T238	G233-M235 PolarHBondContact O-N 3.49Å; G233-M235 VanDerWaalsContact O-N 3.13Å; G233-T238 PolarHBondContact N-O 3.38Å
234	Y	96.9	Very high	97.6	Very high	10 Å²	10	12.3 Å²	12.3	4%	0.039	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	107.2	-176.4	-175.4	-107	0	0	0	112.4	I101 T150 N236 R488 L492 V511 K512	I101-Y234 HydrophobicContact CG2-CD2 4.31Å; I101-Y234 HydrophobicContact CG2-CE2 3.98Å; T150-Y234 PolarHBondContact OG1-N 2.84Å; T150-Y234 VanDerWaalsContact OG1-N 3.08Å; Y234-N236 VanDerWaalsContact C-N 3.26Å; Y234-N236 PolarHBondContact O-N 2.78Å; Y234-N236 VanDerWaalsContact O-N 3.15Å; Y234-R488 HydrophobicContact CD2-CG 3.57Å; Y234-R488 HydrophobicContact CE2-CG 4.27Å; Y234-R488 HydrophobicContact CG-CG 3.83Å; Y234-L492 HydrophobicContact CE2-CD2 3.68Å; Y234-V511 HydrophobicContact CD1-CG1 3.87Å; Y234-V511 HydrophobicContact CD2-CG1 4.33Å; Y234-V511 HydrophobicContact CE1-CB 3.84Å; Y234-V511 HydrophobicContact CE1-CG1 3.42Å; Y234-V511 VanDerWaalsContact CE1-CG1 3.42Å; Y234-V511 HydrophobicContact CE2-CG1 3.94Å; Y234-V511 HydrophobicContact CG-CG1 4.31Å; Y234-V511 VanDerWaalsContact CZ-CG1 3.46Å; Y234-K512 HydrophobicContact CD1-CD 4.42Å; Y234-K512 HydrophobicContact CD1-CG 3.82Å; Y234-K512 HydrophobicContact CE1-CG 4.22Å
235	M	93.4	Very high	97.6	Very high	86 Å²	86	12.3 Å²	12.3	42%	0.424	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	36.5	173.7	-57.5	-172.7	77.7	0	0	114.9	N102 G233	N102-M235 PolarHBondContact O-N 3.29Å; G233-M235 PolarHBondContact O-N 3.49Å; G233-M235 VanDerWaalsContact O-N 3.13Å
236	N	93.8	Very high	97.6	Very high	10 Å²	10	11.5 Å²	11.5	5%	0.053	6%	0.058	C	C	.	.	S	Bend	trans	-126.1	0.2	-179.9	74.1	-1.9	0	0	0	114.6	A149 T150 Y234 T238 I833	A149-N236 PolarHBondContact O-ND2 2.93Å; T150-N236 WeakPolarHBondContact CA-ND2 3.45Å; T150-N236 PolarHBondContact O-ND2 2.86Å; Y234-N236 VanDerWaalsContact C-N 3.26Å; Y234-N236 PolarHBondContact O-N 2.78Å; Y234-N236 VanDerWaalsContact O-N 3.15Å; N236-T238 PolarHBondContact O-N 2.9Å; N236-T238 VanDerWaalsContact O-N 3.12Å; N236-T238 WeakPolarHBondContact OD1-CB 3.39Å; N236-T238 PolarHBondContact OD1-N 3.21Å; N236-I833 PolarHBondContact O-N 3.41Å
237	N	94.5	Very high	97.5	Very high	33 Å²	33	11.6 Å²	11.6	18%	0.176	6%	0.059	C	C	.	.			trans	62.5	0.9	-175.5	-58.3	-46.2	0	0	0	116.3	R67 I833	R67-N237 HydrophobicContact CG-CB 4.42Å; R67-N237 PolarHBondContact NE-OD1 3.43Å; N237-I833 HydrophobicContact CB-CB 4.49Å; N237-I833 WeakPolarHBondContact CB-O 3.44Å; N237-I833 PolarHBondContact ND2-O 3.3Å
238	T	96.1	Very high	97.3	Very high	2 Å²	2	14 Å²	14	1%	0.012	7%	0.068	C	C	.	.			trans	-73.4	129.2	173.1	-62.9	0	0	0	0	109.3	T71 Y75 G233 N236	T71-T238 HydrophobicContact CG2-CG2 4.02Å; Y75-T238 WeakPolarHBondContact OH-CG2 3.34Å; G233-T238 PolarHBondContact N-O 3.38Å; N236-T238 PolarHBondContact O-N 2.9Å; N236-T238 VanDerWaalsContact O-N 3.12Å; N236-T238 WeakPolarHBondContact OD1-CB 3.39Å; N236-T238 PolarHBondContact OD1-N 3.21Å
239	V	98.2	Very high	96.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	104	172.3	-176.6	0	0	0	0	108.7	L64 R67 W68 T71 P230 I231 P232	L64-V239 HydrophobicContact CD2-CG1 4.49Å; L64-V239 HydrophobicContact CD2-CG2 4.11Å; R67-V239 HydrophobicContact CB-CG2 3.62Å; W68-V239 HydrophobicContact CB-CB 4.02Å; W68-V239 HydrophobicContact CB-CG1 3.82Å; W68-V239 VanDerWaalsContact CD1-O 3.26Å; W68-V239 HydrophobicContact CG-CB 4.36Å; W68-V239 HydrophobicContact CG-CG1 3.85Å; T71-V239 WeakPolarHBondContact CB-O 3.3Å; T71-V239 VanDerWaalsContact CG2-O 3.31Å; T71-V239 WeakPolarHBondContact CG2-O 3.47Å; T71-V239 PolarHBondContact OG1-N 3.08Å; P230-V239 HydrophobicContact CB-CG1 3.49Å; P230-V239 VanDerWaalsContact CB-CG1 3.49Å; I231-V239 CarbonylContact O-C 3.42Å; I231-V239 WeakPolarHBondContact O-CA 3.01Å; P232-V239 HydrophobicContact CB-CG2 4.33Å
240	N	98.5	Very high	96	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-179.7	174.8	-80	-13.3	0	0	0	111	Y75 A149 L153 I231	Y75-N240 VanDerWaalsContact CE2-OD1 3.29Å; Y75-N240 WeakPolarHBondContact CE2-OD1 3.42Å; Y75-N240 PolarHBondContact OH-OD1 3.36Å; A149-N240 WeakPolarHBondContact CA-ND2 3.35Å; A149-N240 HydrophobicContact CB-CB 4.24Å; L153-N240 PolarHBondContact O-ND2 3.32Å; L153-N240 PolarHBondContact O-OD1 3.24Å; I231-N240 HydrophobicContact CB-CB 4.33Å; I231-N240 PolarHBondContact N-O 3.38Å; I231-N240 PolarHBondContact O-N 3.35Å
241	T	98.8	Very high	94.5	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.031	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.4	-177.5	-57.2	0	0	0	0	110.8	W68 Q72 Y156 G157 D228 R243	W68-T241 HydrophobicContact CZ2-CG2 4.01Å; W68-T241 PolarHBondContact NE1-OG1 3.21Å; Q72-T241 PolarHBondContact NE2-OG1 3.1Å; Y156-T241 WeakPolarHBondContact CA-O 3.41Å; G157-T241 PolarHBondContact N-O 2.9Å; G157-T241 VanDerWaalsContact N-O 3.16Å; D228-T241 HydrophobicContact CB-CG2 3.89Å; T241-R243 HydrophobicContact CG2-CB 4.46Å
242	M	98.8	Very high	92.5	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.4	156.6	-177.3	-179.9	65.9	0	0	108.2	F90 M92 L145 G157 T229 I231 L244	F90-M242 HydrophobicContact CB-SD 3.82Å; F90-M242 HydrophobicContact CD1-SD 3.96Å; F90-M242 HydrophobicContact CD2-SD 4.17Å; F90-M242 HydrophobicContact CG-SD 3.71Å; M92-M242 HydrophobicContact CE-CE 4.49Å; M92-M242 HydrophobicContact CE-SD 4.47Å; M92-M242 HydrophobicContact CG-CE 4.01Å; M92-M242 HydrophobicContact CG-SD 4.16Å; M92-M242 HydrophobicContact SD-CE 4.38Å; M92-M242 HydrophobicContact SD-SD 3.95Å; L145-M242 HydrophobicContact CD1-CB 4.07Å; L145-M242 HydrophobicContact CD1-CG 4.06Å; L145-M242 HydrophobicContact CD1-SD 3.87Å; G157-M242 CarbonylContact O-C 3.57Å; G157-M242 WeakPolarHBondContact O-CA 3.38Å; T229-M242 HydrophobicContact CG2-CE 4.17Å; T229-M242 PolarHBondContact N-O 3.23Å; T229-M242 PolarHBondContact O-N 3.15Å; I231-M242 HydrophobicContact CD1-CB 3.98Å; I231-M242 HydrophobicContact CG1-CB 4Å; M242-L244 HydrophobicContact CE-CD1 3.82Å; M242-L244 HydrophobicContact CE-CG 4.2Å; M242-L244 HydrophobicContact CG-CD2 4.03Å; M242-L244 HydrophobicContact CG-CG 4.22Å; M242-L244 HydrophobicContact SD-CD2 4.18Å; M242-L244 HydrophobicContact SD-CG 4.46Å
243	R	98.8	Very high	90.4	Very high	12 Å²	12	34.5 Å²	34.5	5%	0.045	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.6	178.7	175.4	162.9	-73	-166	-7.7	109.7	G157 Y158 G159 P226 Y227 D228 T241 W245 D307	G157-R243 PolarHBondContact O-N 3.03Å; Y158-R243 WeakPolarHBondContact CA-O 3.37Å; Y158-R243 HydrophobicContact CD1-CB 4.01Å; Y158-R243 HydrophobicContact CD1-CG 4.02Å; Y158-R243 HydrophobicContact CE1-CB 3.89Å; Y158-R243 HydrophobicContact CE1-CG 3.75Å; G159-R243 PolarHBondContact N-O 2.84Å; G159-R243 VanDerWaalsContact N-O 3.11Å; P226-R243 HydrophobicContact CB-CG 4Å; Y227-R243 WeakPolarHBondContact O-CA 3.44Å; D228-R243 IonicContact OD1-CZ 3.77Å; D228-R243 VanDerWaalsContact OD1-CZ 3.31Å; D228-R243 IonicContact OD1-NE 3.7Å; D228-R243 PolarHBondContact OD1-NE 3.39Å; D228-R243 IonicContact OD1-NH2 3.95Å; D228-R243 PolarHBondContact OD1-NH2 3.03Å; D228-R243 IonicContact OD2-CZ 2.77Å; D228-R243 IonicContact OD2-NE 2.61Å; D228-R243 IonicContact OD2-NH2 2.86Å; D228-R243 PolarHBondContact OD2-NH2 3.38Å; T241-R243 HydrophobicContact CG2-CB 4.46Å; R243-W245 HydrophobicContact CG-CZ2 4.37Å; R243-D307 IonicContact CZ-OD2 3.63Å; R243-D307 IonicContact NE-OD2 3.44Å; R243-D307 VanDerWaalsContact NH1-CG 3.27Å; R243-D307 IonicContact NH1-OD1 3.84Å; R243-D307 PolarHBondContact NH1-OD1 3.36Å; R243-D307 VanDerWaalsContact NH1-OD1 3.14Å; R243-D307 IonicContact NH1-OD2 2.69Å; R243-D307 PolarHBondContact NH1-OD2 3.41Å
244	L	98.8	Very high	88.4	Confident	4 Å²	4	38 Å²	38	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.1	-179.4	-58.9	179.3	0	0	0	110.5	F90 L132 G159 R161 Y227 M242	F90-L244 HydrophobicContact CD2-CD2 4.15Å; L132-L244 HydrophobicContact CD1-CD1 3.4Å; L132-L244 VanDerWaalsContact CD1-CD1 3.4Å; G159-L244 WeakPolarHBondContact O-CA 3.42Å; R161-L244 HydrophobicContact CB-CB 3.68Å; R161-L244 HydrophobicContact CG-CB 4.49Å; Y227-L244 PolarHBondContact N-O 2.88Å; Y227-L244 PolarHBondContact O-N 3.48Å; M242-L244 HydrophobicContact CE-CD1 3.82Å; M242-L244 HydrophobicContact CE-CG 4.2Å; M242-L244 HydrophobicContact CG-CD2 4.03Å; M242-L244 HydrophobicContact CG-CG 4.22Å; M242-L244 HydrophobicContact SD-CD2 4.18Å; M242-L244 HydrophobicContact SD-CG 4.46Å
245	W	98.7	Very high	86.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.1	-178.6	-59.6	108.7	0	0	0	111.8	Y158 G159 R161 L199 A224 P226 R243 F299 A303 T304 D307	Y158-W245 HydrophobicContact CD1-CZ2 4.19Å; Y158-W245 AromaticContact CD1-NE1 3.56Å; Y158-W245 AromaticContact CE1-CZ2 3.82Å; Y158-W245 HydrophobicContact CE1-CZ2 3.82Å; G159-W245 PolarHBondContact O-N 3.22Å; R161-W245 PolarHBondContact N-O 2.89Å; L199-W245 HydrophobicContact CD1-CH2 3.75Å; 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 4.31Å; P226-W245 HydrophobicContact CB-CE3 3.77Å; P226-W245 HydrophobicContact CB-CH2 4.02Å; P226-W245 HydrophobicContact CB-CZ3 3.46Å; P226-W245 VanDerWaalsContact CB-CZ3 3.46Å; P226-W245 HydrophobicContact CG-CE3 4.16Å; P226-W245 HydrophobicContact CG-CH2 4.14Å; P226-W245 HydrophobicContact CG-CZ3 3.48Å; P226-W245 VanDerWaalsContact CG-CZ3 3.48Å; R243-W245 HydrophobicContact CG-CZ2 4.37Å; W245-F299 HydrophobicContact CB-CD1 4.34Å; W245-F299 HydrophobicContact CB-CE1 3.5Å; W245-F299 HydrophobicContact CB-CZ 4.02Å; W245-A303 HydrophobicContact CD2-CB 3.65Å; W245-A303 HydrophobicContact CE3-CB 4.05Å; W245-A303 HydrophobicContact CG-CB 4Å; W245-A303 HydrophobicContact CH2-CB 4.31Å; W245-A303 HydrophobicContact CZ2-CB 3.93Å; W245-A303 WeakPolarHBondContact CZ2-O 3.37Å; W245-A303 HydrophobicContact CZ3-CB 4.34Å; W245-T304 PolarHBondContact NE1-OG1 3.04Å; W245-D307 HydrophobicContact CH2-CB 4.05Å; W245-D307 HydrophobicContact CZ2-CB 3.95Å
246	S	98.1	Very high	84.8	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.028	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.1	169.9	174.6	0	0	0	0	109.2	M225	M225-S246 PolarHBondContact N-O 3.15Å; M225-S246 PolarHBondContact O-N 3.24Å
247	A	96.8	Very high	83	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.6	176.6	0	0	0	0	0	110	V222 L223 A273 I276 S277 F299	V222-A247 HydrophobicContact CG1-CB 3.94Å; L223-A247 CarbonylContact O-C 3.6Å; L223-A247 WeakPolarHBondContact O-CA 3.22Å; A247-A273 WeakPolarHBondContact CB-O 3.27Å; A247-I276 HydrophobicContact CB-CB 3.86Å; A247-I276 HydrophobicContact CB-CG2 4.33Å; A247-S277 PolarHBondContact N-OG 2.94Å; A247-F299 VanDerWaalsContact CA-CZ 3.5Å; A247-F299 HydrophobicContact CB-CE1 4.24Å; A247-F299 HydrophobicContact CB-CE2 3.96Å; A247-F299 HydrophobicContact CB-CZ 3.73Å
248	R	93.1	Very high	81.2	Confident	77 Å²	77	51.8 Å²	51.8	29%	0.291	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.9	178.2	-64.3	-62.3	-179.3	-173.3	-1.7	109.1	L223 M225 E274	L223-R248 HydrophobicContact CB-CB 4.16Å; L223-R248 PolarHBondContact N-O 3.41Å; L223-R248 PolarHBondContact O-N 3.41Å; M225-R248 HydrophobicContact CB-CG 4.16Å; R248-E274 WeakPolarHBondContact CD-OE1 3.46Å; R248-E274 IonicContact CZ-OE1 3.86Å; R248-E274 IonicContact NH1-OE1 3.16Å; R248-E274 PolarHBondContact NH1-OE1 3.46Å
249	A	87.3	Confident	79.4	Confident	18 Å²	18	57.5 Å²	57.5	15%	0.149	29%	0.288	C	S	.	.			trans	-68.9	145.8	167.8	0	0	0	0	0	109.9	R270 A273	A249-R270 HydrophobicContact CB-CB 3.87Å; A249-R270 HydrophobicContact CB-CG 3.65Å; A249-A273 HydrophobicContact CB-CB 4.19Å
250	P	83.3	Confident	77.8	Confident	40 Å²	40	63.4 Å²	63.4	26%	0.26	32%	0.323	S	S	.	.			trans	-59.2	147.3	167.9	25.6	-31.7	0	0	0	110.3	V221 L223 D252	V221-P250 WeakPolarHBondContact O-CD 3.25Å; L223-P250 HydrophobicContact CD1-CB 4.3Å; L223-P250 HydrophobicContact CG-CB 4.37Å; P250-D252 PolarHBondContact O-N 3.47Å
251	N	67.8	Low	75.7	Confident	154 Å²	154	65.8 Å²	65.8	82%	0.824	35%	0.348	S	S	*	.	S	Bend	trans	-71.4	17.5	-179.8	-77	-24.8	0	0	0	113.5	F253	N251-F253 PolarHBondContact O-N 2.93Å
252	D	56.6	Low	74	Confident	134 Å²	134	69.5 Å²	69.5	72%	0.717	37%	0.368	S	S	*	.			trans	-75.4	71	177.5	-56.8	-18.2	0	0	0	107.6	P250 N254	P250-D252 PolarHBondContact O-N 3.47Å; D252-N254 VanDerWaalsContact C-N 3.28Å; D252-N254 PolarHBondContact O-N 2.94Å
253	F	52.4	Low	72.4	Confident	124 Å²	124	76.1 Å²	76.1	54%	0.544	39%	0.394	S	S	.	.			trans	-57.6	100.2	164	-175.3	-91.7	0	0	0	106	N251 L255 F258	N251-F253 PolarHBondContact O-N 2.93Å; F253-L255 HydrophobicContact CD1-CD1 4.4Å; F253-L255 HydrophobicContact CD1-CG 3.85Å; F253-L255 HydrophobicContact CE1-CD2 4.45Å; F253-L255 HydrophobicContact CE1-CG 3.99Å; F253-L255 PolarHBondContact O-N 3.42Å; F253-F258 HydrophobicContact CE1-CB 3.98Å; F253-F258 HydrophobicContact CE1-CD1 4.18Å; F253-F258 HydrophobicContact CE1-CD2 4.05Å; F253-F258 AromaticContact CE1-CG 3.8Å; F253-F258 HydrophobicContact CE1-CG 3.8Å; F253-F258 HydrophobicContact CE2-CD2 4.14Å; F253-F258 HydrophobicContact CE2-CE2 4.42Å; F253-F258 HydrophobicContact CZ-CB 4.14Å; F253-F258 HydrophobicContact CZ-CD1 4.14Å; F253-F258 AromaticContact CZ-CD2 3.36Å; F253-F258 HydrophobicContact CZ-CD2 3.36Å; F253-F258 HydrophobicContact CZ-CE1 4.42Å; F253-F258 AromaticContact CZ-CE2 3.7Å; F253-F258 HydrophobicContact CZ-CE2 3.7Å; F253-F258 AromaticContact CZ-CG 3.61Å; F253-F258 HydrophobicContact CZ-CG 3.61Å; F253-F258 HydrophobicContact CZ-CZ 4.21Å
254	N	55.8	Low	70.9	Confident	75 Å²	75	79.6 Å²	79.6	40%	0.401	41%	0.413	S	S	.	.			trans	-72.4	83	-176.5	-160.3	-6.4	0	0	0	108.1	D252 K256 D257 F258	D252-N254 VanDerWaalsContact C-N 3.28Å; D252-N254 PolarHBondContact O-N 2.94Å; N254-K256 PolarHBondContact O-N 3.01Å; N254-K256 WeakPolarHBondContact OD1-CB 3.18Å; N254-K256 PolarHBondContact OD1-N 3.2Å; N254-D257 HydrophobicContact CB-CB 4.27Å; N254-D257 VanDerWaalsContact CG-OD2 3.31Å; N254-D257 VanDerWaalsContact ND2-CG 3.27Å; N254-D257 PolarHBondContact ND2-OD2 3.02Å; N254-D257 PolarHBondContact O-N 2.97Å; N254-F258 PolarHBondContact O-N 3.49Å
255	L	56.9	Low	69.3	Low	104 Å²	104	83.2 Å²	83.2	55%	0.545	43%	0.43	S	S	.	.	H	α-helix	trans	-51.6	-27	176.5	-101.9	143.8	0	0	0	111.1	F253 N259	F253-L255 HydrophobicContact CD1-CD1 4.4Å; F253-L255 HydrophobicContact CD1-CG 3.85Å; F253-L255 HydrophobicContact CE1-CD2 4.45Å; F253-L255 HydrophobicContact CE1-CG 3.99Å; F253-L255 PolarHBondContact O-N 3.42Å; L255-N259 WeakPolarHBondContact O-CB 3.36Å; L255-N259 PolarHBondContact O-N 3.29Å; L255-N259 PolarHBondContact O-ND2 3.11Å
256	K	57.9	Low	67.7	Low	162 Å²	162	84.7 Å²	84.7	70%	0.704	44%	0.441	S	S	*	.	H	α-helix	trans	-63.5	-56.4	174.6	-125.5	177.7	-178.7	-178.3	0	110.9	N254 F258 N259 V260	N254-K256 PolarHBondContact O-N 3.01Å; N254-K256 WeakPolarHBondContact OD1-CB 3.18Å; N254-K256 PolarHBondContact OD1-N 3.2Å; K256-F258 VanDerWaalsContact C-N 3.29Å; K256-F258 PolarHBondContact O-N 3.04Å; K256-N259 PolarHBondContact O-N 2.91Å; K256-N259 VanDerWaalsContact O-N 3.12Å; K256-V260 WeakPolarHBondContact O-CG2 3.47Å; K256-V260 PolarHBondContact O-N 3.33Å; K256-V260 VanDerWaalsContact O-N 3.14Å
257	D	55.9	Low	66.4	Low	63 Å²	63	88.6 Å²	88.6	34%	0.337	47%	0.465	S	S	.	.	H	α-helix	trans	-63.2	-37.1	179	-59.1	-16.4	0	0	0	111.5	N254 V260 D262	N254-D257 HydrophobicContact CB-CB 4.27Å; N254-D257 VanDerWaalsContact CG-OD2 3.31Å; N254-D257 VanDerWaalsContact ND2-CG 3.27Å; N254-D257 PolarHBondContact ND2-OD2 3.02Å; N254-D257 PolarHBondContact O-N 2.97Å; D257-V260 PolarHBondContact O-N 3.08Å; D257-D262 PolarHBondContact O-N 3.24Å; D257-D262 VanDerWaalsContact O-N 3.11Å
258	F	56.3	Low	65.2	Low	99 Å²	99	92.3 Å²	92.3	43%	0.434	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-42.4	173.3	-167.8	-94.8	0	0	0	112.5	F253 N254 K256 V260 G261	F253-F258 HydrophobicContact CE1-CB 3.98Å; F253-F258 HydrophobicContact CE1-CD1 4.18Å; F253-F258 HydrophobicContact CE1-CD2 4.05Å; F253-F258 AromaticContact CE1-CG 3.8Å; F253-F258 HydrophobicContact CE1-CG 3.8Å; F253-F258 HydrophobicContact CE2-CD2 4.14Å; F253-F258 HydrophobicContact CE2-CE2 4.42Å; F253-F258 HydrophobicContact CZ-CB 4.14Å; F253-F258 HydrophobicContact CZ-CD1 4.14Å; F253-F258 AromaticContact CZ-CD2 3.36Å; F253-F258 HydrophobicContact CZ-CD2 3.36Å; F253-F258 HydrophobicContact CZ-CE1 4.42Å; F253-F258 AromaticContact CZ-CE2 3.7Å; F253-F258 HydrophobicContact CZ-CE2 3.7Å; F253-F258 AromaticContact CZ-CG 3.61Å; F253-F258 HydrophobicContact CZ-CG 3.61Å; F253-F258 HydrophobicContact CZ-CZ 4.21Å; N254-F258 PolarHBondContact O-N 3.49Å; K256-F258 VanDerWaalsContact C-N 3.29Å; K256-F258 PolarHBondContact O-N 3.04Å; F258-V260 VanDerWaalsContact C-N 3.33Å; F258-V260 PolarHBondContact O-N 3.15Å; F258-G261 PolarHBondContact O-N 3.24Å
259	N	57.7	Low	64	Low	123 Å²	123	91.8 Å²	91.8	66%	0.658	49%	0.487	S	S	*	.	H	α-helix	trans	-75.5	-17.3	-179	-72.6	-27.5	0	0	0	113.5	L255 K256	L255-N259 WeakPolarHBondContact O-CB 3.36Å; L255-N259 PolarHBondContact O-N 3.29Å; L255-N259 PolarHBondContact O-ND2 3.11Å; K256-N259 PolarHBondContact O-N 2.91Å; K256-N259 VanDerWaalsContact O-N 3.12Å
260	V	66.3	Low	63.5	Low	124 Å²	124	97.3 Å²	97.3	75%	0.752	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	1.1	172.6	-127.6	0	0	0	0	113.3	K256 D257 F258	K256-V260 WeakPolarHBondContact O-CG2 3.47Å; K256-V260 PolarHBondContact O-N 3.33Å; K256-V260 VanDerWaalsContact O-N 3.14Å; D257-V260 PolarHBondContact O-N 3.08Å; F258-V260 VanDerWaalsContact C-N 3.33Å; F258-V260 PolarHBondContact O-N 3.15Å
261	G	54.5	Low	63.3	Low	53 Å²	53	98.1 Å²	98.1	55%	0.546	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	7.5	176.7	0	0	0	0	0	115.1	F258 Y263	F258-G261 PolarHBondContact O-N 3.24Å; G261-Y263 VanDerWaalsContact C-N 3.29Å; G261-Y263 PolarHBondContact O-N 3.46Å
262	D	61.3	Low	63.9	Low	84 Å²	84	95.3 Å²	95.3	45%	0.449	49%	0.491	S	S	.	.			trans	-94.7	49.9	179.6	-154.7	-4.4	0	0	0	112.3	D257 I264 Q265	D257-D262 PolarHBondContact O-N 3.24Å; D257-D262 VanDerWaalsContact O-N 3.11Å; D262-I264 PolarHBondContact O-N 2.91Å; D262-Q265 PolarHBondContact O-N 3.13Å; D262-Q265 VanDerWaalsContact OD1-CB 3.26Å; D262-Q265 WeakPolarHBondContact OD1-CB 3.31Å
263	Y	65.8	Low	65.2	Low	143 Å²	143	89.1 Å²	89.1	56%	0.561	46%	0.459	S	S	*	.	H	α-helix	trans	-62.1	-29.6	-178.4	70.1	-85.8	0	0	0	112.8	G261	G261-Y263 VanDerWaalsContact C-N 3.29Å; G261-Y263 PolarHBondContact O-N 3.46Å
264	I	68.1	Low	66.9	Low	86 Å²	86	84.4 Å²	84.4	44%	0.441	44%	0.438	S	S	.	.	H	α-helix	trans	-68.3	-46.6	-178.3	-61.4	-175.6	0	0	0	109.3	D262 A266 V267 L268	D262-I264 PolarHBondContact O-N 2.91Å; I264-A266 PolarHBondContact O-N 2.82Å; I264-V267 PolarHBondContact O-N 2.98Å; I264-L268 HydrophobicContact CG2-CD1 3.71Å; I264-L268 HydrophobicContact CG2-CG 4.04Å; I264-L268 WeakPolarHBondContact O-CG 3.48Å; I264-L268 PolarHBondContact O-N 3.12Å
265	Q	64.9	Low	68.6	Low	80 Å²	80	83 Å²	83	37%	0.374	43%	0.431	S	S	.	.	H	α-helix	trans	-64.7	-41.9	-173.6	-166.7	59	46.3	0	0	112.5	D262 V267 L268 D269	D262-Q265 PolarHBondContact O-N 3.13Å; D262-Q265 VanDerWaalsContact OD1-CB 3.26Å; D262-Q265 WeakPolarHBondContact OD1-CB 3.31Å; Q265-V267 VanDerWaalsContact C-N 3.26Å; Q265-V267 PolarHBondContact O-N 2.83Å; Q265-L268 WeakPolarHBondContact O-CB 3.41Å; Q265-L268 PolarHBondContact O-N 3.17Å; Q265-L268 VanDerWaalsContact O-N 3.1Å; Q265-D269 PolarHBondContact NE2-OD1 3.08Å; Q265-D269 VanDerWaalsContact O-CG 3.29Å; Q265-D269 PolarHBondContact O-N 2.97Å
266	A	65.6	Low	70.3	Confident	30 Å²	30	78.2 Å²	78.2	25%	0.248	41%	0.406	C	S	.	.	H	α-helix	trans	-60.7	-33.2	177.2	0	0	0	0	0	113.3	I264	I264-A266 PolarHBondContact O-N 2.82Å
267	V	70.7	Confident	72.1	Confident	87 Å²	87	70.9 Å²	70.9	53%	0.527	38%	0.375	S	S	.	.	H	α-helix	trans	-78.2	-36	175.5	176.6	0	0	0	0	111.4	I264 Q265 R270 N271	I264-V267 PolarHBondContact O-N 2.98Å; Q265-V267 VanDerWaalsContact C-N 3.26Å; Q265-V267 PolarHBondContact O-N 2.83Å; V267-R270 PolarHBondContact O-N 3.2Å; V267-N271 PolarHBondContact O-N 3.49Å; V267-N271 PolarHBondContact O-ND2 3.17Å
268	L	70.4	Confident	73.8	Confident	79 Å²	79	71 Å²	71	41%	0.414	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-43	174.8	-70.3	176.6	0	0	0	111.6	I264 Q265 R270 N271 L272	I264-L268 HydrophobicContact CG2-CD1 3.71Å; I264-L268 HydrophobicContact CG2-CG 4.04Å; I264-L268 WeakPolarHBondContact O-CG 3.48Å; I264-L268 PolarHBondContact O-N 3.12Å; Q265-L268 WeakPolarHBondContact O-CB 3.41Å; Q265-L268 PolarHBondContact O-N 3.17Å; Q265-L268 VanDerWaalsContact O-N 3.1Å; L268-R270 VanDerWaalsContact C-N 3.28Å; L268-R270 PolarHBondContact O-N 2.92Å; L268-N271 WeakPolarHBondContact O-CB 3.29Å; L268-N271 PolarHBondContact O-N 2.85Å; L268-L272 WeakPolarHBondContact O-CG 3.34Å; L268-L272 PolarHBondContact O-N 2.97Å
269	D	68.4	Low	75.3	Confident	66 Å²	66	68.9 Å²	68.9	35%	0.353	37%	0.365	S	S	.	.	H	α-helix	trans	-63.1	-36.8	-179.9	-68.3	-14.1	0	0	0	112	Q265 L272 A273	Q265-D269 PolarHBondContact NE2-OD1 3.08Å; Q265-D269 VanDerWaalsContact O-CG 3.29Å; Q265-D269 PolarHBondContact O-N 2.97Å; D269-L272 PolarHBondContact O-N 2.85Å; D269-A273 PolarHBondContact O-N 3.08Å
270	R	77.6	Confident	76.4	Confident	133 Å²	133	63.3 Å²	63.3	50%	0.502	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-45	171.8	169.7	172.4	160.9	166.9	-5.4	112	A249 V267 L268 L272 A273 E274	A249-R270 HydrophobicContact CB-CB 3.87Å; A249-R270 HydrophobicContact CB-CG 3.65Å; V267-R270 PolarHBondContact O-N 3.2Å; L268-R270 VanDerWaalsContact C-N 3.28Å; L268-R270 PolarHBondContact O-N 2.92Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 3.19Å; R270-A273 PolarHBondContact O-N 3.42Å; R270-E274 HydrophobicContact CG-CG 4.44Å; R270-E274 IonicContact CZ-OE2 2.69Å; R270-E274 IonicContact NE-OE1 3.77Å; R270-E274 IonicContact NE-OE2 3.05Å; R270-E274 PolarHBondContact NE-OE2 2.98Å; R270-E274 IonicContact NH2-OE1 3.73Å; R270-E274 IonicContact NH2-OE2 2.87Å; R270-E274 WeakPolarHBondContact O-CG 3.45Å; R270-E274 PolarHBondContact O-N 3.35Å
271	N	78.9	Confident	76.6	Confident	57 Å²	57	60.6 Å²	60.6	31%	0.305	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-33.6	177.1	-80.1	-52.3	0	0	0	112.5	V267 L268 N275 R278	V267-N271 PolarHBondContact O-N 3.49Å; V267-N271 PolarHBondContact O-ND2 3.17Å; L268-N271 WeakPolarHBondContact O-CB 3.29Å; L268-N271 PolarHBondContact O-N 2.85Å; N271-N275 WeakPolarHBondContact O-CB 3.42Å; N271-N275 PolarHBondContact O-N 2.69Å; N271-N275 PolarHBondContact O-ND2 3.41Å; N271-R278 PolarHBondContact O-NH2 2.83Å
272	L	79.4	Confident	77.1	Confident	95 Å²	95	59.1 Å²	59.1	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-36.2	176.1	-69	174.6	0	0	0	112.5	L268 D269 R270 N275	L268-L272 WeakPolarHBondContact O-CG 3.34Å; L268-L272 PolarHBondContact O-N 2.97Å; D269-L272 PolarHBondContact O-N 2.85Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 3.19Å; L272-N275 WeakPolarHBondContact O-CB 3.35Å
273	A	83.8	Confident	77.2	Confident	5 Å²	5	58.8 Å²	58.8	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-69.7	-47.4	173.3	0	0	0	0	0	111.8	V222 A247 A249 D269 R270 N275 I276	V222-A273 HydrophobicContact CG1-CB 4.31Å; V222-A273 HydrophobicContact CG2-CB 3.94Å; A247-A273 WeakPolarHBondContact CB-O 3.27Å; A249-A273 HydrophobicContact CB-CB 4.19Å; D269-A273 PolarHBondContact O-N 3.08Å; R270-A273 PolarHBondContact O-N 3.42Å; A273-N275 PolarHBondContact O-N 2.63Å; A273-I276 PolarHBondContact O-N 2.81Å
274	E	88.7	Confident	76.9	Confident	25 Å²	25	56.1 Å²	56.1	12%	0.117	29%	0.287	C	S	.	.	H	α-helix	trans	-69.4	-20.4	-178.1	-63.8	-171.1	129.8	0	0	112.5	R248 R270 I276 S277	R248-E274 WeakPolarHBondContact CD-OE1 3.46Å; R248-E274 IonicContact CZ-OE1 3.86Å; R248-E274 IonicContact NH1-OE1 3.16Å; R248-E274 PolarHBondContact NH1-OE1 3.46Å; R270-E274 HydrophobicContact CG-CG 4.44Å; R270-E274 IonicContact CZ-OE2 2.69Å; R270-E274 IonicContact NE-OE1 3.77Å; R270-E274 IonicContact NE-OE2 3.05Å; R270-E274 PolarHBondContact NE-OE2 2.98Å; R270-E274 IonicContact NH2-OE1 3.73Å; R270-E274 IonicContact NH2-OE2 2.87Å; R270-E274 WeakPolarHBondContact O-CG 3.45Å; R270-E274 PolarHBondContact O-N 3.35Å; E274-I276 PolarHBondContact O-N 2.8Å; E274-I276 VanDerWaalsContact O-N 3.17Å; E274-S277 PolarHBondContact O-N 2.91Å
275	N	90.9	Very high	76.2	Confident	46 Å²	46	57 Å²	57	25%	0.246	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-54.9	-30.1	174.1	-102	-32.4	0	0	0	114	N271 L272 A273 S277 R278 L292	N271-N275 WeakPolarHBondContact O-CB 3.42Å; N271-N275 PolarHBondContact O-N 2.69Å; N271-N275 PolarHBondContact O-ND2 3.41Å; L272-N275 WeakPolarHBondContact O-CB 3.35Å; A273-N275 PolarHBondContact O-N 2.63Å; N275-S277 VanDerWaalsContact C-N 3.31Å; N275-S277 PolarHBondContact O-N 3.28Å; N275-R278 PolarHBondContact ND2-NH2 3.49Å; N275-R278 VanDerWaalsContact O-CB 3.32Å; N275-R278 WeakPolarHBondContact O-CB 3.5Å; N275-R278 PolarHBondContact O-N 3.23Å; N275-R278 VanDerWaalsContact O-N 3.1Å; N275-R278 PolarHBondContact OD1-NE 3.39Å; N275-R278 PolarHBondContact OD1-NH2 3.09Å; N275-L292 HydrophobicContact CB-CD1 4.4Å
276	I	94	Very high	76.2	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.015	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-57.4	-45.3	-177.9	-66.5	168.8	0	0	0	110.5	F203 V222 A247 A273 E274 L292 K295 Q296 F299	F203-I276 HydrophobicContact CE2-CD1 3.68Å; F203-I276 HydrophobicContact CZ-CD1 3.95Å; V222-I276 HydrophobicContact CG1-CD1 4.26Å; V222-I276 HydrophobicContact CG2-CD1 4.12Å; A247-I276 HydrophobicContact CB-CB 3.86Å; A247-I276 HydrophobicContact CB-CG2 4.33Å; A273-I276 PolarHBondContact O-N 2.81Å; E274-I276 PolarHBondContact O-N 2.8Å; E274-I276 VanDerWaalsContact O-N 3.17Å; I276-L292 HydrophobicContact CG1-CD1 4.32Å; I276-K295 HydrophobicContact CD1-CB 4.31Å; I276-K295 HydrophobicContact CD1-CD 4.45Å; I276-K295 HydrophobicContact CG1-CB 4.16Å; I276-K295 HydrophobicContact CG1-CD 4.47Å; I276-Q296 HydrophobicContact CG2-CG 4.1Å; I276-Q296 WeakPolarHBondContact O-CG 3.26Å; I276-Q296 PolarHBondContact O-NE2 3.23Å; I276-F299 HydrophobicContact CG2-CB 3.74Å; I276-F299 HydrophobicContact CG2-CD1 3.84Å; I276-F299 HydrophobicContact CG2-CD2 4.31Å; I276-F299 HydrophobicContact CG2-CG 3.72Å
277	S	94.7	Very high	76	Confident	7 Å²	7	63.3 Å²	63.3	5%	0.049	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-97.4	23.3	178.7	62.3	0	0	0	0	113.2	Y162 E163 A247 E274 N275	Y162-S277 CarbonylContact C-O 3.5Å; Y162-S277 VanDerWaalsContact CA-O 3.3Å; Y162-S277 WeakPolarHBondContact CA-O 3.38Å; E163-S277 PolarHBondContact N-O 2.65Å; A247-S277 PolarHBondContact N-OG 2.94Å; E274-S277 PolarHBondContact O-N 2.91Å; N275-S277 VanDerWaalsContact C-N 3.31Å; N275-S277 PolarHBondContact O-N 3.28Å
278	R	91.1	Very high	76.1	Confident	67 Å²	67	65.6 Å²	65.6	25%	0.253	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-54.2	-173.7	-166.7	127.7	65.4	-178.1	3.5	112.9	E163 Y164 N271 N275	E163-R278 PolarHBondContact N-O 3.41Å; Y164-R278 HydrophobicContact CD2-CG 3.95Å; Y164-R278 WeakPolarHBondContact CD2-O 3.47Å; Y164-R278 HydrophobicContact CE2-CG 4.11Å; Y164-R278 PolarHBondContact N-O 3.02Å; N271-R278 PolarHBondContact O-NH2 2.83Å; N275-R278 PolarHBondContact ND2-NH2 3.49Å; N275-R278 VanDerWaalsContact O-CB 3.32Å; N275-R278 WeakPolarHBondContact O-CB 3.5Å; N275-R278 PolarHBondContact O-N 3.23Å; N275-R278 VanDerWaalsContact O-N 3.1Å; N275-R278 PolarHBondContact OD1-NE 3.39Å; N275-R278 PolarHBondContact OD1-NH2 3.09Å
279	V	88.4	Confident	76.4	Confident	53 Å²	53	62.3 Å²	62.3	32%	0.321	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-130.8	141.3	-176.3	68.2	0	0	0	0	112.4	Y162 Y164 Y281 P282 Q296	Y162-V279 VanDerWaalsContact CD1-C 3.46Å; Y162-V279 WeakPolarHBondContact CD1-O 3.49Å; Y162-V279 WeakPolarHBondContact CE1-O 3.27Å; Y164-V279 WeakPolarHBondContact O-CA 3.33Å; V279-Y281 PolarHBondContact O-N 3.06Å; V279-P282 HydrophobicContact CG1-CB 4.45Å; V279-Q296 PolarHBondContact O-NE2 3.44Å
280	L	81.1	Confident	77.1	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.031	30%	0.304	C	S	.	.	S	Bend	trans	-71.8	115.5	172.2	175.8	63.4	0	0	0	110.4	E89 N134 Y162 Y164 I166	E89-L280 HydrophobicContact CG-CD1 4.2Å; N134-L280 WeakPolarHBondContact OD1-CD2 3.36Å; Y162-L280 HydrophobicContact CD1-CB 4.32Å; Y162-L280 HydrophobicContact CD2-CB 4.04Å; Y162-L280 HydrophobicContact CD2-CD1 4.01Å; Y162-L280 HydrophobicContact CE2-CB 4.27Å; Y162-L280 HydrophobicContact CE2-CD1 3.47Å; Y162-L280 VanDerWaalsContact CE2-CD1 3.47Å; Y162-L280 HydrophobicContact CE2-CG 4.43Å; Y162-L280 HydrophobicContact CG-CB 4.06Å; Y164-L280 PolarHBondContact O-N 3.12Å; I166-L280 HydrophobicContact CB-CD2 4.18Å
281	Y	71	Confident	77.8	Confident	68 Å²	68	57.9 Å²	57.9	27%	0.267	29%	0.285	S	S	.	.	S	Bend	trans	52.7	92.7	-174.3	-67.2	-96.7	0	0	0	114.3	E89 N134 V279 R293 H340	E89-Y281 HydrophobicContact CG-CE2 3.85Å; E89-Y281 WeakPolarHBondContact OE1-CE2 3.47Å; E89-Y281 PolarHBondContact OE1-OH 3.01Å; N134-Y281 WeakPolarHBondContact ND2-CD2 3.31Å; N134-Y281 WeakPolarHBondContact ND2-CE2 3.3Å; V279-Y281 PolarHBondContact O-N 3.06Å; Y281-R293 VanDerWaalsContact CZ-NH1 3.26Å; Y281-R293 VanDerWaalsContact CZ-NH2 3.3Å; Y281-R293 PolarHBondContact OH-NH2 3.18Å; Y281-H340 PolarHBondContact OH-CE1 2.8Å; Y281-H340 PolarHBondContact OH-NE2 2.92Å
282	P	65.1	Low	78.4	Confident	22 Å²	22	56.8 Å²	56.8	14%	0.143	28%	0.278	C	S	.	.			trans	-62.9	155.3	168.1	30.4	-35.6	0	0	0	110.7	V279 D284 L292	V279-P282 HydrophobicContact CG1-CB 4.45Å; P282-D284 PolarHBondContact O-N 3.29Å; P282-D284 VanDerWaalsContact O-N 3.14Å; P282-L292 HydrophobicContact CB-CD2 3.93Å; P282-L292 HydrophobicContact CG-CB 4.24Å; P282-L292 HydrophobicContact CG-CD2 3.94Å; P282-L292 HydrophobicContact CG-CG 4.07Å
283	N	63.1	Low	79	Confident	76 Å²	76	52.8 Å²	52.8	41%	0.406	26%	0.257	S	S	.	.			trans	-60.4	116.8	169.7	-177	-7.3	0	0	0	109.3	N285 G289	N283-N285 VanDerWaalsContact OD1-CB 3.32Å; N283-N285 WeakPolarHBondContact OD1-CB 3.3Å; N283-N285 PolarHBondContact OD1-N 3.21Å; N283-N285 VanDerWaalsContact OD1-N 3.16Å; N283-N285 PolarHBondContact OD1-ND2 2.83Å; N283-G289 WeakPolarHBondContact O-CA 3.21Å
284	D	58.6	Low	79.5	Confident	88 Å²	88	52.5 Å²	52.5	47%	0.471	26%	0.255	S	S	.	.			trans	-100.3	9.7	-172.5	68.6	-35	0	0	0	113.3	P282 F286 K290	P282-D284 PolarHBondContact O-N 3.29Å; P282-D284 VanDerWaalsContact O-N 3.14Å; D284-F286 PolarHBondContact O-N 3.11Å; D284-F286 VanDerWaalsContact O-N 3.13Å; D284-K290 HydrophobicContact CB-CG 4.22Å; D284-K290 WeakPolarHBondContact O-CE 3.5Å; D284-K290 WeakPolarHBondContact O-CG 3.39Å
285	N	54	Low	79.9	Confident	103 Å²	103	52.6 Å²	52.6	55%	0.551	26%	0.255	S	S	*	.	S	Bend	trans	-64	-13.2	172.8	-73.7	-21.5	0	0	0	113.1	N283	N283-N285 VanDerWaalsContact OD1-CB 3.32Å; N283-N285 WeakPolarHBondContact OD1-CB 3.3Å; N283-N285 PolarHBondContact OD1-N 3.21Å; N283-N285 VanDerWaalsContact OD1-N 3.16Å; N283-N285 PolarHBondContact OD1-ND2 2.83Å
286	F	65.6	Low	80.2	Confident	138 Å²	138	50.4 Å²	50.4	61%	0.605	24%	0.243	S	C	*	.	S	Bend	trans	-121.5	156.8	178.8	-55.6	-80.3	0	0	0	111.3	D284 E288 G289 K290	D284-F286 PolarHBondContact O-N 3.11Å; D284-F286 VanDerWaalsContact O-N 3.13Å; F286-E288 VanDerWaalsContact C-N 3.33Å; F286-E288 PolarHBondContact O-N 3.23Å; F286-G289 PolarHBondContact O-N 3.43Å; F286-G289 VanDerWaalsContact O-N 3.11Å; F286-K290 PolarHBondContact O-N 3.46Å
287	F	60.9	Low	80.4	Confident	105 Å²	105	50.4 Å²	50.4	46%	0.461	24%	0.243	S	C	.	.	H	α-helix	trans	-58.3	-42.4	-175.6	178.4	-92	0	0	0	112.6	G289 K290 E291 L390	F287-G289 VanDerWaalsContact C-N 3.25Å; F287-G289 PolarHBondContact O-N 3.5Å; F287-K290 WeakPolarHBondContact O-CB 3.39Å; F287-K290 PolarHBondContact O-N 3.32Å; F287-K290 VanDerWaalsContact O-N 3.14Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.36Å; F287-E291 PolarHBondContact O-N 3.3Å; F287-L390 HydrophobicContact CE2-CD1 4.11Å; F287-L390 HydrophobicContact CZ-CD1 3.77Å
288	E	71.8	Confident	80.6	Confident	136 Å²	136	50.1 Å²	50.1	64%	0.636	24%	0.241	S	C	*	.	H	α-helix	trans	-62.3	-33.9	179	-62.4	85.1	170.2	0	0	112.1	F286 L292	F286-E288 VanDerWaalsContact C-N 3.33Å; F286-E288 PolarHBondContact O-N 3.23Å; E288-L292 WeakPolarHBondContact O-CB 3.49Å; E288-L292 PolarHBondContact O-N 3.16Å
289	G	77.8	Confident	80.9	Confident	9 Å²	9	47 Å²	47	9%	0.093	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-41	175.1	0	0	0	0	0	112.4	N283 F286 F287 L292 R293	N283-G289 WeakPolarHBondContact O-CA 3.21Å; F286-G289 PolarHBondContact O-N 3.43Å; F286-G289 VanDerWaalsContact O-N 3.11Å; F287-G289 VanDerWaalsContact C-N 3.25Å; F287-G289 PolarHBondContact O-N 3.5Å; G289-L292 PolarHBondContact O-N 2.91Å; G289-R293 WeakPolarHBondContact O-CB 3.45Å; G289-R293 PolarHBondContact O-N 2.65Å
290	K	82.8	Confident	81.4	Confident	86 Å²	86	44.5 Å²	44.5	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-64.3	-45.2	174.4	-73.1	-173.8	-178.1	-175.3	0	112.3	D284 F286 F287 R293 L294 W386 L390	D284-K290 HydrophobicContact CB-CG 4.22Å; D284-K290 WeakPolarHBondContact O-CE 3.5Å; D284-K290 WeakPolarHBondContact O-CG 3.39Å; F286-K290 PolarHBondContact O-N 3.46Å; F287-K290 WeakPolarHBondContact O-CB 3.39Å; F287-K290 PolarHBondContact O-N 3.32Å; F287-K290 VanDerWaalsContact O-N 3.14Å; K290-R293 PolarHBondContact O-N 2.78Å; K290-L294 PolarHBondContact O-N 3.41Å; K290-L294 VanDerWaalsContact O-N 3.07Å; K290-W386 HydrophobicContact CB-CZ3 3.92Å; K290-W386 HydrophobicContact CG-CZ3 4.33Å; K290-W386 WeakPolarHBondContact O-CZ3 3.44Å; K290-L390 HydrophobicContact CB-CD2 4.42Å
291	E	91.4	Very high	82.2	Confident	20 Å²	20	44.2 Å²	44.2	9%	0.093	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-43.9	176.5	-176.9	169.7	-170.4	0	0	111.8	Y204 F287 R293 L294 K295 L390 K393	Y204-E291 WeakPolarHBondContact CE1-OE1 3.28Å; Y204-E291 VanDerWaalsContact CZ-OE1 3.24Å; Y204-E291 PolarHBondContact OH-OE1 3.36Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.36Å; F287-E291 PolarHBondContact O-N 3.3Å; E291-R293 VanDerWaalsContact C-N 3.32Å; E291-R293 PolarHBondContact O-N 3.18Å; E291-L294 PolarHBondContact O-N 3.04Å; E291-K295 WeakPolarHBondContact O-CG 3.25Å; E291-K295 PolarHBondContact O-N 2.78Å; E291-L390 HydrophobicContact CB-CD1 3.85Å; E291-L390 HydrophobicContact CG-CD1 4.01Å; E291-K393 IonicContact OE1-NZ 3.51Å; E291-K393 IonicContact OE2-NZ 2.79Å
292	L	91.8	Very high	83.6	Confident	34 Å²	34	41 Å²	41	18%	0.178	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-38.8	176.6	-179.4	59	0	0	0	112	N275 I276 P282 E288 G289 K295 Q296	N275-L292 HydrophobicContact CB-CD1 4.4Å; I276-L292 HydrophobicContact CG1-CD1 4.32Å; P282-L292 HydrophobicContact CB-CD2 3.93Å; P282-L292 HydrophobicContact CG-CB 4.24Å; P282-L292 HydrophobicContact CG-CD2 3.94Å; P282-L292 HydrophobicContact CG-CG 4.07Å; E288-L292 WeakPolarHBondContact O-CB 3.49Å; E288-L292 PolarHBondContact O-N 3.16Å; G289-L292 PolarHBondContact O-N 2.91Å; L292-K295 WeakPolarHBondContact O-CB 3.46Å; L292-K295 PolarHBondContact O-N 3.43Å; L292-Q296 WeakPolarHBondContact O-CG 3.2Å; L292-Q296 PolarHBondContact O-N 3.29Å
293	R	91.9	Very high	85.2	Confident	11 Å²	11	40 Å²	40	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-48.6	176.7	176.5	57.7	-175.8	-159	-8.7	111.9	L88 Y281 G289 K290 E291 K295 Q296 E297 H340 W386	L88-R293 VanDerWaalsContact CD2-CZ 3.42Å; Y281-R293 VanDerWaalsContact CZ-NH1 3.26Å; Y281-R293 VanDerWaalsContact CZ-NH2 3.3Å; Y281-R293 PolarHBondContact OH-NH2 3.18Å; G289-R293 WeakPolarHBondContact O-CB 3.45Å; G289-R293 PolarHBondContact O-N 2.65Å; K290-R293 PolarHBondContact O-N 2.78Å; E291-R293 VanDerWaalsContact C-N 3.32Å; E291-R293 PolarHBondContact O-N 3.18Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 2.84Å; R293-Q296 VanDerWaalsContact O-CB 3.32Å; R293-Q296 WeakPolarHBondContact O-CB 3.37Å; R293-Q296 PolarHBondContact O-N 3.5Å; R293-E297 WeakPolarHBondContact CG-OE1 3.45Å; R293-E297 IonicContact CZ-OE1 2.75Å; R293-E297 IonicContact NE-OE1 3.99Å; R293-E297 PolarHBondContact NE-OE1 2.55Å; R293-E297 IonicContact NH2-OE1 3.96Å; R293-E297 PolarHBondContact O-N 3.03Å; R293-H340 PolarHBondContact NH2-CD2 3.19Å; R293-H340 PolarHBondContact NH2-NE2 2.92Å; R293-W386 HydrophobicContact CB-CH2 3.93Å; R293-W386 HydrophobicContact CB-CZ2 4.49Å; R293-W386 HydrophobicContact CG-CH2 3.72Å; R293-W386 HydrophobicContact CG-CZ2 3.88Å
294	L	95.5	Very high	86.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-34.5	175.8	-177.8	61.5	0	0	0	112	K290 E291 E297 Y298 M343 W386 L390 L391 L394	K290-L294 PolarHBondContact O-N 3.41Å; K290-L294 VanDerWaalsContact O-N 3.07Å; E291-L294 PolarHBondContact O-N 3.04Å; L294-E297 PolarHBondContact O-N 3.33Å; L294-Y298 WeakPolarHBondContact O-CB 3.36Å; L294-Y298 PolarHBondContact O-N 3.05Å; L294-M343 HydrophobicContact CD1-CG 4.47Å; L294-W386 HydrophobicContact CB-CH2 4.31Å; L294-W386 HydrophobicContact CB-CZ2 4.25Å; L294-W386 HydrophobicContact CB-CZ3 4.45Å; L294-W386 HydrophobicContact CD1-CD2 4.33Å; L294-W386 HydrophobicContact CD1-CG 4.37Å; L294-L390 HydrophobicContact CD2-CD2 3.99Å; L294-L390 HydrophobicContact CD2-CG 3.94Å; L294-L391 HydrophobicContact CD1-CD2 4.27Å; L294-L391 HydrophobicContact CD2-CD2 3.8Å; L294-L391 HydrophobicContact CD2-CG 4.18Å; L294-L394 HydrophobicContact CB-CD2 4.17Å; L294-L394 HydrophobicContact CD2-CD2 3.79Å; L294-L394 HydrophobicContact CG-CD2 3.83Å
295	K	96.9	Very high	88.8	Confident	27 Å²	27	32.1 Å²	32.1	12%	0.117	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-41.5	171.3	-75.8	-178.5	177.3	179.5	0	112.4	F203 Y204 I276 E291 L292 R293 F299 L394	F203-K295 HydrophobicContact CD1-CG 3.99Å; F203-K295 HydrophobicContact CE1-CB 3.92Å; F203-K295 HydrophobicContact CE1-CG 3.74Å; F203-K295 HydrophobicContact CZ-CB 4.1Å; F203-K295 HydrophobicContact CZ-CG 4.22Å; Y204-K295 WeakPolarHBondContact OH-CE 3.42Å; Y204-K295 PolarHBondContact OH-NZ 3.09Å; I276-K295 HydrophobicContact CD1-CB 4.31Å; I276-K295 HydrophobicContact CD1-CD 4.45Å; I276-K295 HydrophobicContact CG1-CB 4.16Å; I276-K295 HydrophobicContact CG1-CD 4.47Å; E291-K295 WeakPolarHBondContact O-CG 3.25Å; E291-K295 PolarHBondContact O-N 2.78Å; L292-K295 WeakPolarHBondContact O-CB 3.46Å; L292-K295 PolarHBondContact O-N 3.43Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 2.84Å; K295-F299 WeakPolarHBondContact O-CB 3.49Å; K295-F299 PolarHBondContact O-N 3.35Å; K295-L394 HydrophobicContact CD-CD1 4.38Å; K295-L394 HydrophobicContact CG-CD1 3.92Å; K295-L394 HydrophobicContact CG-CD2 3.76Å; K295-L394 HydrophobicContact CG-CG 4.45Å
296	Q	97.1	Very high	90.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-49.6	175.4	-73.9	178.1	-18.6	0	0	111.4	L88 I160 I276 V279 L292 R293 F299 V300	L88-Q296 HydrophobicContact CD2-CB 4.49Å; I160-Q296 HydrophobicContact CD1-CB 3.76Å; I160-Q296 HydrophobicContact CD1-CG 4.21Å; I160-Q296 WeakPolarHBondContact CD1-O 3.14Å; I276-Q296 HydrophobicContact CG2-CG 4.1Å; I276-Q296 WeakPolarHBondContact O-CG 3.26Å; I276-Q296 PolarHBondContact O-NE2 3.23Å; V279-Q296 PolarHBondContact O-NE2 3.44Å; L292-Q296 WeakPolarHBondContact O-CG 3.2Å; L292-Q296 PolarHBondContact O-N 3.29Å; R293-Q296 VanDerWaalsContact O-CB 3.32Å; R293-Q296 WeakPolarHBondContact O-CB 3.37Å; R293-Q296 PolarHBondContact O-N 3.5Å; Q296-F299 PolarHBondContact O-N 3.5Å; Q296-V300 PolarHBondContact O-N 3.44Å; Q296-V300 VanDerWaalsContact O-N 3.14Å
297	E	97.8	Very high	92.5	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-50.5	179	-71.3	169.9	-163.7	0	0	111.8	L88 R293 L294 F299 V300 V301 H340 E384 W386	L88-E297 HydrophobicContact CD1-CG 4.45Å; L88-E297 HydrophobicContact CD2-CG 3.56Å; R293-E297 WeakPolarHBondContact CG-OE1 3.45Å; R293-E297 IonicContact CZ-OE1 2.75Å; R293-E297 IonicContact NE-OE1 3.99Å; R293-E297 PolarHBondContact NE-OE1 2.55Å; R293-E297 IonicContact NH2-OE1 3.96Å; R293-E297 PolarHBondContact O-N 3.03Å; L294-E297 PolarHBondContact O-N 3.33Å; E297-F299 PolarHBondContact O-N 3.39Å; E297-V300 WeakPolarHBondContact O-CG1 3.27Å; E297-V301 WeakPolarHBondContact O-CB 3.14Å; E297-V301 VanDerWaalsContact O-CG2 3.26Å; E297-V301 WeakPolarHBondContact O-CG2 3.48Å; E297-V301 PolarHBondContact O-N 3.14Å; E297-H340 WeakPolarHBondContact CB-O 3.46Å; E297-H340 HydrophobicContact CG-CB 4.44Å; E297-H340 WeakPolarHBondContact CG-O 3.37Å; E297-E384 VanDerWaalsContact OE1-OE1 3.07Å; E297-W386 PolarHBondContact OE2-NE1 2.85Å; E297-W386 VanDerWaalsContact OE2-NE1 3.12Å
298	Y	98.6	Very high	94.3	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-68.4	-35.8	178.8	-175.7	-107.3	0	0	0	112.8	V201 H202 F203 W216 L294 V301 A302 M343 E347 L395 H398	V201-Y298 HydrophobicContact CG1-CD1 4.13Å; V201-Y298 HydrophobicContact CG1-CE1 4.02Å; H202-Y298 WeakPolarHBondContact O-CE1 3.45Å; F203-Y298 HydrophobicContact CD1-CD1 4.1Å; F203-Y298 AromaticContact CE1-CD1 3.59Å; F203-Y298 HydrophobicContact CE1-CD1 3.59Å; F203-Y298 HydrophobicContact CE1-CG 4.37Å; F203-Y298 HydrophobicContact CZ-CD1 4.16Å; W216-Y298 HydrophobicContact CH2-CE1 4.08Å; W216-Y298 HydrophobicContact CZ3-CE1 4.43Å; W216-Y298 WeakPolarHBondContact CZ3-OH 3.47Å; L294-Y298 WeakPolarHBondContact O-CB 3.36Å; L294-Y298 PolarHBondContact O-N 3.05Å; Y298-V301 PolarHBondContact O-N 2.99Å; Y298-A302 HydrophobicContact CD1-CB 4.42Å; Y298-A302 HydrophobicContact CE1-CB 3.91Å; Y298-A302 HydrophobicContact CE2-CB 4.19Å; Y298-A302 WeakPolarHBondContact O-CB 3.11Å; Y298-A302 PolarHBondContact O-N 2.95Å; Y298-M343 HydrophobicContact CD2-CB 4.34Å; Y298-E347 HydrophobicContact CE2-CB 4.27Å; Y298-E347 HydrophobicContact CE2-CG 4.34Å; Y298-E347 PolarHBondContact OH-OE2 3.16Å; Y298-E347 VanDerWaalsContact OH-OE2 3.1Å; Y298-L395 HydrophobicContact CD1-CD1 4.38Å; Y298-L395 HydrophobicContact CD1-CD2 3.49Å; Y298-L395 VanDerWaalsContact CD1-CD2 3.49Å; Y298-L395 HydrophobicContact CD2-CD1 3.83Å; Y298-L395 HydrophobicContact CD2-CD2 4.04Å; Y298-L395 HydrophobicContact CE1-CD2 3.63Å; Y298-L395 HydrophobicContact CE2-CD2 4.18Å; Y298-L395 HydrophobicContact CG-CD1 3.73Å; Y298-L395 HydrophobicContact CG-CD2 3.69Å; Y298-L395 HydrophobicContact CG-CG 4.4Å; Y298-H398 AromaticContact CE2-CD2 3.86Å; Y298-H398 AromaticContact CE2-CE1 3.56Å; Y298-H398 AromaticContact CE2-NE2 3.2Å; Y298-H398 WeakPolarHBondContact CE2-NE2 3.16Å; Y298-H398 AromaticContact CZ-CE1 3.52Å; Y298-H398 AromaticContact CZ-NE2 3.56Å; Y298-H398 PolarHBondContact OH-CE1 3.31Å; Y298-H398 PolarHBondContact OH-NE2 3.08Å
299	F	98.6	Very high	95.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60	-48.9	179.4	175.2	-102.7	0	0	0	112.7	V201 F203 V222 A224 W245 A247 I276 K295 Q296 E297 V301 A303	V201-F299 HydrophobicContact CB-CD2 4.1Å; V201-F299 HydrophobicContact CG1-CD2 4.17Å; V201-F299 HydrophobicContact CG2-CD2 3.88Å; V201-F299 HydrophobicContact CG2-CE2 4.15Å; F203-F299 HydrophobicContact CZ-CB 4.2Å; V222-F299 HydrophobicContact CG1-CD2 4.42Å; V222-F299 HydrophobicContact CG1-CE2 4.03Å; A224-F299 HydrophobicContact CB-CE2 3.57Å; A224-F299 HydrophobicContact CB-CZ 3.56Å; W245-F299 HydrophobicContact CB-CD1 4.34Å; W245-F299 HydrophobicContact CB-CE1 3.5Å; W245-F299 HydrophobicContact CB-CZ 4.02Å; A247-F299 VanDerWaalsContact CA-CZ 3.5Å; A247-F299 HydrophobicContact CB-CE1 4.24Å; A247-F299 HydrophobicContact CB-CE2 3.96Å; A247-F299 HydrophobicContact CB-CZ 3.73Å; I276-F299 HydrophobicContact CG2-CB 3.74Å; I276-F299 HydrophobicContact CG2-CD1 3.84Å; I276-F299 HydrophobicContact CG2-CD2 4.31Å; I276-F299 HydrophobicContact CG2-CG 3.72Å; K295-F299 WeakPolarHBondContact O-CB 3.49Å; K295-F299 PolarHBondContact O-N 3.35Å; Q296-F299 PolarHBondContact O-N 3.5Å; E297-F299 PolarHBondContact O-N 3.39Å; F299-V301 VanDerWaalsContact C-N 3.31Å; F299-V301 PolarHBondContact O-N 3.45Å; F299-A303 WeakPolarHBondContact O-CB 3.31Å; F299-A303 PolarHBondContact O-N 3.43Å
300	V	98.3	Very high	96.2	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-64.6	-39.8	177.2	62.5	0	0	0	0	110.9	L88 I160 Q296 E297 T304	L88-V300 HydrophobicContact CD1-CG1 3.65Å; L88-V300 HydrophobicContact CG-CG1 4.39Å; I160-V300 HydrophobicContact CD1-CB 4.29Å; I160-V300 HydrophobicContact CG1-CB 3.9Å; I160-V300 HydrophobicContact CG1-CG2 4.42Å; Q296-V300 PolarHBondContact O-N 3.44Å; Q296-V300 VanDerWaalsContact O-N 3.14Å; E297-V300 WeakPolarHBondContact O-CG1 3.27Å; V300-T304 WeakPolarHBondContact O-CB 3.44Å; V300-T304 PolarHBondContact O-N 2.93Å; V300-T304 PolarHBondContact O-OG1 3.42Å
301	V	98.6	Very high	96.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-55.5	179.9	161.4	0	0	0	0	111.6	E297 Y298 F299 A303 T304 L305 P341 M343 A344 E347	E297-V301 WeakPolarHBondContact O-CB 3.14Å; E297-V301 VanDerWaalsContact O-CG2 3.26Å; E297-V301 WeakPolarHBondContact O-CG2 3.48Å; E297-V301 PolarHBondContact O-N 3.14Å; Y298-V301 PolarHBondContact O-N 2.99Å; F299-V301 VanDerWaalsContact C-N 3.31Å; F299-V301 PolarHBondContact O-N 3.45Å; V301-A303 PolarHBondContact O-N 3.44Å; V301-T304 PolarHBondContact O-N 3.13Å; V301-L305 HydrophobicContact CG1-CD1 3.98Å; V301-L305 PolarHBondContact O-N 2.98Å; V301-P341 HydrophobicContact CG2-CB 4.21Å; V301-M343 HydrophobicContact CG1-CB 4.49Å; V301-M343 HydrophobicContact CG2-CB 4.43Å; V301-A344 HydrophobicContact CG1-CB 3.89Å; V301-A344 HydrophobicContact CG2-CB 4.06Å; V301-E347 HydrophobicContact CG1-CB 3.82Å; V301-E347 HydrophobicContact CG1-CG 4.08Å
302	A	98.8	Very high	96.9	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.008	5%	0.054	C	C	.	.	H	α-helix	trans	-64.3	-43	-173.2	0	0	0	0	0	111.7	V201 Y298 Q306	V201-A302 HydrophobicContact CG1-CB 3.98Å; V201-A302 HydrophobicContact CG2-CB 4.17Å; Y298-A302 HydrophobicContact CD1-CB 4.42Å; Y298-A302 HydrophobicContact CE1-CB 3.91Å; Y298-A302 HydrophobicContact CE2-CB 4.19Å; Y298-A302 WeakPolarHBondContact O-CB 3.11Å; Y298-A302 PolarHBondContact O-N 2.95Å; A302-Q306 VanDerWaalsContact O-CG 3.3Å; A302-Q306 WeakPolarHBondContact O-CG 3.48Å; A302-Q306 PolarHBondContact O-N 2.81Å; A302-Q306 PolarHBondContact O-NE2 2.82Å
303	A	98.8	Very high	96.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.8	-41.4	176.8	0	0	0	0	0	111.7	L199 V201 A224 W245 F299 V301 D307	L199-A303 WeakPolarHBondContact CD1-O 3.48Å; V201-A303 HydrophobicContact CG2-CB 4.17Å; A224-A303 HydrophobicContact CB-CB 3.49Å; A224-A303 VanDerWaalsContact CB-CB 3.49Å; W245-A303 HydrophobicContact CD2-CB 3.65Å; W245-A303 HydrophobicContact CE3-CB 4.05Å; W245-A303 HydrophobicContact CG-CB 4Å; W245-A303 HydrophobicContact CH2-CB 4.31Å; W245-A303 HydrophobicContact CZ2-CB 3.93Å; W245-A303 WeakPolarHBondContact CZ2-O 3.37Å; W245-A303 HydrophobicContact CZ3-CB 4.34Å; F299-A303 WeakPolarHBondContact O-CB 3.31Å; F299-A303 PolarHBondContact O-N 3.43Å; V301-A303 PolarHBondContact O-N 3.44Å; A303-D307 PolarHBondContact O-N 2.86Å; A303-D307 VanDerWaalsContact O-N 3.14Å
304	T	98.8	Very high	96.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-46	-178.1	-61.4	0	0	0	0	112.3	L86 Y158 W245 V300 V301 Q306 D307 I308	L86-T304 HydrophobicContact CD1-CG2 3.82Å; L86-T304 HydrophobicContact CD2-CG2 4.26Å; L86-T304 HydrophobicContact CG-CG2 4.09Å; Y158-T304 HydrophobicContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-CG2 3.5Å; Y158-T304 VanDerWaalsContact CD1-OG1 3.23Å; Y158-T304 WeakPolarHBondContact CD1-OG1 3.16Å; Y158-T304 HydrophobicContact CD2-CG2 3.9Å; Y158-T304 HydrophobicContact CE1-CG2 3.94Å; Y158-T304 HydrophobicContact CE2-CG2 4.36Å; Y158-T304 HydrophobicContact CG-CG2 3.44Å; Y158-T304 VanDerWaalsContact CG-CG2 3.44Å; W245-T304 PolarHBondContact NE1-OG1 3.04Å; V300-T304 WeakPolarHBondContact O-CB 3.44Å; V300-T304 PolarHBondContact O-N 2.93Å; V300-T304 PolarHBondContact O-OG1 3.42Å; V301-T304 PolarHBondContact O-N 3.13Å; T304-Q306 PolarHBondContact O-N 2.99Å; T304-D307 PolarHBondContact O-N 3.28Å; T304-D307 VanDerWaalsContact O-N 3.17Å; T304-I308 HydrophobicContact CG2-CD1 3.67Å; T304-I308 HydrophobicContact CG2-CG1 4.28Å; T304-I308 VanDerWaalsContact O-CG1 3.31Å; T304-I308 WeakPolarHBondContact O-CG1 3.37Å; T304-I308 PolarHBondContact O-N 3.03Å
305	L	98.8	Very high	95	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.7	-40.2	-179.6	-73.8	175	0	0	0	112.2	V301 D307 I308 I309 I334 A344 E347 L348 I351 F371	V301-L305 HydrophobicContact CG1-CD1 3.98Å; V301-L305 PolarHBondContact O-N 2.98Å; L305-D307 VanDerWaalsContact C-N 3.32Å; L305-D307 PolarHBondContact O-N 3.45Å; L305-I308 PolarHBondContact O-N 3.33Å; L305-I309 WeakPolarHBondContact O-CB 3.47Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.44Å; L305-I309 PolarHBondContact O-N 2.88Å; L305-I334 HydrophobicContact CD2-CD1 3.61Å; L305-A344 HydrophobicContact CD1-CB 4.19Å; L305-A344 WeakPolarHBondContact CD1-O 3.28Å; L305-E347 HydrophobicContact CD1-CB 3.78Å; L305-E347 HydrophobicContact CD1-CG 3.58Å; L305-L348 HydrophobicContact CD1-CB 4.13Å; L305-L348 HydrophobicContact CD2-CD1 4.41Å; L305-I351 HydrophobicContact CB-CD1 4.03Å; L305-F371 HydrophobicContact CD2-CZ 4.37Å
306	Q	98.6	Very high	93.1	Very high	51 Å²	51	22.1 Å²	22.1	24%	0.238	10%	0.099	C	C	.	.	H	α-helix	trans	-58.9	-43.6	172.4	-74.2	177.3	80.4	0	0	111.8	L199 P200 A302 T304 R310	L199-Q306 HydrophobicContact CD1-CB 3.9Å; L199-Q306 HydrophobicContact CD2-CB 4.43Å; P200-Q306 PolarHBondContact O-NE2 3.34Å; A302-Q306 VanDerWaalsContact O-CG 3.3Å; A302-Q306 WeakPolarHBondContact O-CG 3.48Å; A302-Q306 PolarHBondContact O-N 2.81Å; A302-Q306 PolarHBondContact O-NE2 2.82Å; T304-Q306 PolarHBondContact O-N 2.99Å; Q306-R310 VanDerWaalsContact O-CB 3.26Å; Q306-R310 WeakPolarHBondContact O-CB 3.43Å; Q306-R310 PolarHBondContact O-N 3.21Å
307	D	98.5	Very high	91.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-39.4	178.2	-166.5	48	0	0	0	112.8	Y158 L199 R243 W245 A303 T304 L305 R310 R311	Y158-D307 HydrophobicContact CE1-CB 4.46Å; Y158-D307 PolarHBondContact OH-OD2 2.95Å; L199-D307 HydrophobicContact CD1-CB 4.08Å; R243-D307 IonicContact CZ-OD2 3.63Å; R243-D307 IonicContact NE-OD2 3.44Å; R243-D307 VanDerWaalsContact NH1-CG 3.27Å; R243-D307 IonicContact NH1-OD1 3.84Å; R243-D307 PolarHBondContact NH1-OD1 3.36Å; R243-D307 VanDerWaalsContact NH1-OD1 3.14Å; R243-D307 IonicContact NH1-OD2 2.69Å; R243-D307 PolarHBondContact NH1-OD2 3.41Å; W245-D307 HydrophobicContact CH2-CB 4.05Å; W245-D307 HydrophobicContact CZ2-CB 3.95Å; A303-D307 PolarHBondContact O-N 2.86Å; A303-D307 VanDerWaalsContact O-N 3.14Å; T304-D307 PolarHBondContact O-N 3.28Å; T304-D307 VanDerWaalsContact O-N 3.17Å; L305-D307 VanDerWaalsContact C-N 3.32Å; L305-D307 PolarHBondContact O-N 3.45Å; D307-R310 IonicContact OD1-CZ 3.82Å; D307-R310 IonicContact OD1-NE 3.98Å; D307-R310 PolarHBondContact OD1-NE 2.83Å; D307-R310 IonicContact OD1-NH2 3.98Å; D307-R310 PolarHBondContact OD1-NH2 2.9Å; D307-R311 WeakPolarHBondContact O-CB 3.3Å; D307-R311 PolarHBondContact O-N 2.94Å; D307-R311 IonicContact OD2-CZ 3.61Å; D307-R311 IonicContact OD2-NH2 2.73Å; D307-R311 PolarHBondContact OD2-NH2 3.09Å
308	I	98.2	Very high	89.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-49.1	175.5	-70.1	168.2	0	0	0	110.5	Y84 T304 L305 R310 R311 F312 F328 V332 I334	Y84-I308 HydrophobicContact CD1-CD1 3.9Å; Y84-I308 HydrophobicContact CD1-CG1 3.81Å; Y84-I308 HydrophobicContact CD2-CD1 3.67Å; Y84-I308 HydrophobicContact CD2-CG1 3.87Å; Y84-I308 HydrophobicContact CD2-CG2 4.11Å; Y84-I308 HydrophobicContact CE1-CD1 4.43Å; Y84-I308 HydrophobicContact CE1-CG1 3.86Å; Y84-I308 HydrophobicContact CE2-CB 4.36Å; Y84-I308 HydrophobicContact CE2-CD1 4.18Å; Y84-I308 HydrophobicContact CE2-CG1 3.85Å; Y84-I308 HydrophobicContact CE2-CG2 3.7Å; Y84-I308 HydrophobicContact CG-CD1 3.48Å; Y84-I308 VanDerWaalsContact CG-CD1 3.48Å; Y84-I308 HydrophobicContact CG-CG1 3.82Å; T304-I308 HydrophobicContact CG2-CD1 3.67Å; T304-I308 HydrophobicContact CG2-CG1 4.28Å; T304-I308 VanDerWaalsContact O-CG1 3.31Å; T304-I308 WeakPolarHBondContact O-CG1 3.37Å; T304-I308 PolarHBondContact O-N 3.03Å; L305-I308 PolarHBondContact O-N 3.33Å; I308-R310 PolarHBondContact O-N 2.8Å; I308-R311 CarbonylContact O-C 3.35Å; I308-R311 PolarHBondContact O-N 3.16Å; I308-R311 VanDerWaalsContact O-N 3.14Å; I308-F312 WeakPolarHBondContact O-CB 3.43Å; I308-F312 PolarHBondContact O-N 3.42Å; I308-F328 HydrophobicContact CG2-CE2 4.38Å; I308-F328 HydrophobicContact CG2-CZ 3.99Å; I308-V332 HydrophobicContact CG2-CG1 3.72Å; I308-V332 HydrophobicContact CG2-CG2 4.06Å; I308-I334 HydrophobicContact CD1-CD1 3.98Å; I308-I334 HydrophobicContact CD1-CG1 4.29Å
309	I	96.8	Very high	87	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-42.9	-179.4	-69.9	170.4	0	0	0	110.6	L305 R311 F312 K313 F325 F328 L348 I351	L305-I309 WeakPolarHBondContact O-CB 3.47Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.44Å; L305-I309 PolarHBondContact O-N 2.88Å; I309-R311 VanDerWaalsContact C-N 3.3Å; I309-R311 PolarHBondContact O-N 3.2Å; I309-F312 PolarHBondContact O-N 2.96Å; I309-K313 HydrophobicContact CG2-CD 4.14Å; I309-K313 WeakPolarHBondContact O-CB 3.49Å; I309-K313 WeakPolarHBondContact O-CG 3.45Å; I309-K313 PolarHBondContact O-N 3.32Å; I309-F325 HydrophobicContact CG1-CE1 4.48Å; I309-F325 HydrophobicContact CG2-CE1 4.08Å; I309-F325 HydrophobicContact CG2-CZ 4.04Å; I309-F328 HydrophobicContact CG1-CE2 3.98Å; I309-F328 HydrophobicContact CG1-CZ 4.19Å; I309-L348 HydrophobicContact CD1-CD1 4.13Å; I309-I351 HydrophobicContact CD1-CB 4.25Å; I309-I351 HydrophobicContact CD1-CD1 3.86Å; I309-I351 HydrophobicContact CD1-CG2 3.55Å
310	R	94.6	Very high	85.2	Confident	84 Å²	84	48.3 Å²	48.3	32%	0.317	24%	0.235	S	C	.	.	H	α-helix	trans	-56.6	-44.7	173.3	-176.6	-173	66.1	77.5	-3	111.5	Q306 D307 I308 T314	Q306-R310 VanDerWaalsContact O-CB 3.26Å; Q306-R310 WeakPolarHBondContact O-CB 3.43Å; Q306-R310 PolarHBondContact O-N 3.21Å; D307-R310 IonicContact OD1-CZ 3.82Å; D307-R310 IonicContact OD1-NE 3.98Å; D307-R310 PolarHBondContact OD1-NE 2.83Å; D307-R310 IonicContact OD1-NH2 3.98Å; D307-R310 PolarHBondContact OD1-NH2 2.9Å; I308-R310 PolarHBondContact O-N 2.8Å; R310-T314 WeakPolarHBondContact O-CB 3.32Å; R310-T314 PolarHBondContact O-N 2.92Å; R310-T314 PolarHBondContact O-OG1 2.95Å
311	R	93.7	Very high	83.9	Confident	34 Å²	34	50.9 Å²	50.9	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-41.9	177.8	-166.6	176.2	-60.6	124.3	2.6	111.9	Y84 Y158 D307 I308 I309 K313 T314	Y84-R311 PolarHBondContact OH-NH1 3.04Å; Y158-R311 PolarHBondContact OH-NH1 3.49Å; Y158-R311 PolarHBondContact OH-NH2 3.27Å; D307-R311 WeakPolarHBondContact O-CB 3.3Å; D307-R311 PolarHBondContact O-N 2.94Å; D307-R311 IonicContact OD2-CZ 3.61Å; D307-R311 IonicContact OD2-NH2 2.73Å; D307-R311 PolarHBondContact OD2-NH2 3.09Å; I308-R311 CarbonylContact O-C 3.35Å; I308-R311 PolarHBondContact O-N 3.16Å; I308-R311 VanDerWaalsContact O-N 3.14Å; I309-R311 VanDerWaalsContact C-N 3.3Å; I309-R311 PolarHBondContact O-N 3.2Å; R311-K313 VanDerWaalsContact C-N 3.34Å; R311-K313 PolarHBondContact O-N 3.38Å; R311-T314 PolarHBondContact O-N 3.4Å; R311-T314 VanDerWaalsContact O-N 3.13Å; R311-T314 VanDerWaalsContact O-O 3.08Å
312	F	94.1	Very high	83	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-43.8	176.3	170.5	-100.2	0	0	0	112.3	I308 I309 T314 R322 F325 F328 K331 V332	I308-F312 WeakPolarHBondContact O-CB 3.43Å; I308-F312 PolarHBondContact O-N 3.42Å; I309-F312 PolarHBondContact O-N 2.96Å; F312-T314 PolarHBondContact O-N 2.99Å; F312-R322 HydrophobicContact CE1-CB 4.03Å; F312-R322 HydrophobicContact CZ-CB 4.26Å; F312-R322 HydrophobicContact CZ-CG 4.43Å; F312-R322 PolarHBondContact O-NH1 3.48Å; F312-F325 HydrophobicContact CD1-CD1 4.27Å; F312-F325 HydrophobicContact CD1-CE1 4.19Å; F312-F325 AromaticContact CE1-CD1 3.92Å; F312-F325 HydrophobicContact CE1-CD1 3.92Å; F312-F325 HydrophobicContact CE1-CE1 4.24Å; F312-F328 HydrophobicContact CB-CD2 4.2Å; F312-F328 HydrophobicContact CB-CE2 4.07Å; F312-F328 AromaticContact CD1-CD2 3.69Å; F312-F328 HydrophobicContact CD1-CD2 3.69Å; F312-F328 HydrophobicContact CD1-CE2 4.22Å; F312-F328 AromaticContact CD2-CD2 3.83Å; F312-F328 HydrophobicContact CD2-CD2 3.83Å; F312-F328 HydrophobicContact CD2-CE2 4.48Å; F312-F328 HydrophobicContact CE1-CB 4.49Å; F312-F328 AromaticContact CE1-CD2 3.93Å; F312-F328 HydrophobicContact CE1-CD2 3.93Å; F312-F328 HydrophobicContact CE2-CB 4.16Å; F312-F328 HydrophobicContact CE2-CD2 4.06Å; F312-F328 AromaticContact CG-CD2 3.62Å; F312-F328 HydrophobicContact CG-CD2 3.62Å; F312-F328 HydrophobicContact CG-CE2 4Å; F312-F328 HydrophobicContact CZ-CB 4.03Å; F312-F328 HydrophobicContact CZ-CD2 4.1Å; F312-K331 HydrophobicContact CD2-CB 3.94Å; F312-K331 HydrophobicContact CE2-CB 3.96Å; F312-K331 HydrophobicContact CE2-CG 4.28Å; F312-V332 HydrophobicContact CB-CG2 4.48Å; F312-V332 HydrophobicContact CD2-CG2 4.23Å
313	K	91	Very high	81.9	Confident	57 Å²	57	59.1 Å²	59.1	25%	0.248	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-25.1	177.7	-73	-178.6	170.9	-175.9	0	112.5	I309 R311 P320 S321 E356	I309-K313 HydrophobicContact CG2-CD 4.14Å; I309-K313 WeakPolarHBondContact O-CB 3.49Å; I309-K313 WeakPolarHBondContact O-CG 3.45Å; I309-K313 PolarHBondContact O-N 3.32Å; R311-K313 VanDerWaalsContact C-N 3.34Å; R311-K313 PolarHBondContact O-N 3.38Å; K313-P320 VanDerWaalsContact O-CA 3.31Å; K313-P320 WeakPolarHBondContact O-CA 3.37Å; K313-S321 PolarHBondContact O-N 3.19Å; K313-E356 IonicContact NZ-OE1 3.79Å; K313-E356 PolarHBondContact NZ-OE1 3.45Å; K313-E356 IonicContact NZ-OE2 3.84Å; K313-E356 PolarHBondContact NZ-OE2 3.38Å
314	T	83	Confident	81.3	Confident	39 Å²	39	62.9 Å²	62.9	24%	0.239	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	99.3	-173.1	-48.8	0	0	0	0	112.1	Y76 R310 R311 F312	Y76-T314 HydrophobicContact CE2-CG2 4.3Å; R310-T314 WeakPolarHBondContact O-CB 3.32Å; R310-T314 PolarHBondContact O-N 2.92Å; R310-T314 PolarHBondContact O-OG1 2.95Å; R311-T314 PolarHBondContact O-N 3.4Å; R311-T314 VanDerWaalsContact O-N 3.13Å; R311-T314 VanDerWaalsContact O-O 3.08Å; F312-T314 PolarHBondContact O-N 2.99Å
315	T	65.3	Low	81.1	Confident	16 Å²	16	63.2 Å²	63.2	10%	0.098	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-38.7	179.6	75.4	0	0	0	0	116.1	Y76 S321 R322	Y76-T315 WeakPolarHBondContact CE1-O 3.2Å; Y76-T315 WeakPolarHBondContact CE2-O 3.49Å; Y76-T315 PolarHBondContact OH-O 3.46Å; T315-S321 WeakPolarHBondContact CB-OG 3.45Å; T315-S321 WeakPolarHBondContact CG2-OG 3.36Å; T315-S321 PolarHBondContact N-OG 2.95Å; T315-S321 WeakPolarHBondContact OG1-CB 3.29Å; T315-S321 PolarHBondContact OG1-OG 3.39Å; T315-R322 HydrophobicContact CG2-CG 4.35Å
316	K	57.8	Low	80.8	Confident	161 Å²	161	67.9 Å²	67.9	70%	0.7	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.4	-175.3	-75.3	-175.3	179.5	178	0	111.9	Y76 G318 R319	Y76-K316 WeakPolarHBondContact OH-CA 3.44Å; Y76-K316 PolarHBondContact OH-N 3.46Å; K316-G318 PolarHBondContact O-N 3.37Å; K316-G318 VanDerWaalsContact O-N 3.09Å; K316-R319 PolarHBondContact O-N 3.11Å
317	K	55.7	Low	80.5	Confident	200 Å²	200	67.2 Å²	67.2	87%	0.87	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	34.4	172.6	-59.7	-174.7	176.5	-177.1	0	115.2	Y76 R319	Y76-K317 PolarHBondContact OH-N 2.74Å; K317-R319 VanDerWaalsContact C-N 3.3Å; K317-R319 PolarHBondContact O-N 3.39Å
318	G	54.9	Low	80.5	Confident	56 Å²	56	67.2 Å²	67.2	58%	0.577	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	14.5	-179.9	0	0	0	0	0	115.3	Y76 K316	Y76-G318 PolarHBondContact OH-N 3Å; K316-G318 PolarHBondContact O-N 3.37Å; K316-G318 VanDerWaalsContact O-N 3.09Å
319	R	54.8	Low	80.4	Confident	189 Å²	189	67.5 Å²	67.5	71%	0.713	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	147.3	179.8	-63.9	-174.4	-178	-174.9	-0.8	112	K316 K317 S321	K316-R319 PolarHBondContact O-N 3.11Å; K317-R319 VanDerWaalsContact C-N 3.3Å; K317-R319 PolarHBondContact O-N 3.39Å; R319-S321 PolarHBondContact O-N 3.27Å
320	P	61.2	Low	80.4	Confident	109 Å²	109	71.5 Å²	71.5	71%	0.708	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	122.7	167.8	-18.6	30.5	0	0	0	109.3	K313	K313-P320 VanDerWaalsContact O-CA 3.31Å; K313-P320 WeakPolarHBondContact O-CA 3.37Å
321	S	70.4	Confident	80.5	Confident	55 Å²	55	70.1 Å²	70.1	39%	0.385	37%	0.371	S	S	.	.			trans	-124.4	-23.5	-176.4	61.1	0	0	0	0	113.3	K313 T315 R319	K313-S321 PolarHBondContact O-N 3.19Å; T315-S321 WeakPolarHBondContact CB-OG 3.45Å; T315-S321 WeakPolarHBondContact CG2-OG 3.36Å; T315-S321 PolarHBondContact N-OG 2.95Å; T315-S321 WeakPolarHBondContact OG1-CB 3.29Å; T315-S321 PolarHBondContact OG1-OG 3.39Å; R319-S321 PolarHBondContact O-N 3.27Å
322	R	79.7	Confident	80.7	Confident	42 Å²	42	68.6 Å²	68.6	16%	0.158	37%	0.365	C	S	.	.			trans	-104.1	118.6	173.8	-65	-172	179.9	106.9	5	108.1	D79 F312 T315	D79-R322 IonicContact OD1-NH1 2.76Å; D79-R322 IonicContact OD1-NH2 3.58Å; D79-R322 IonicContact OD2-CZ 3.55Å; D79-R322 IonicContact OD2-NH1 3.53Å; D79-R322 IonicContact OD2-NH2 3.6Å; D79-R322 PolarHBondContact OD2-NH2 3.17Å; F312-R322 HydrophobicContact CE1-CB 4.03Å; F312-R322 HydrophobicContact CZ-CB 4.26Å; F312-R322 HydrophobicContact CZ-CG 4.43Å; F312-R322 PolarHBondContact O-NH1 3.48Å; T315-R322 HydrophobicContact CG2-CG 4.35Å
323	T	74.4	Confident	80.9	Confident	133 Å²	133	68.5 Å²	68.5	82%	0.816	37%	0.365	S	S	*	.			trans	-105.7	-11.4	178.2	52.4	0	0	0	0	112.4
324	T	87.2	Confident	81.3	Confident	79 Å²	79	65.8 Å²	65.8	49%	0.485	35%	0.354	S	S	.	.			trans	-117.7	157.7	175.3	66.8	0	0	0	0	110.5	D326	T324-D326 PolarHBondContact OG1-OD2 3.04Å
325	F	94.1	Very high	82.1	Confident	7 Å²	7	64 Å²	64	3%	0.031	34%	0.342	C	S	.	.	S	Bend	trans	-101.8	2	-178.5	-75	-89	0	0	0	113.9	I309 F312 A327 F328 Y352 E356 L358 L366	I309-F325 HydrophobicContact CG1-CE1 4.48Å; I309-F325 HydrophobicContact CG2-CE1 4.08Å; I309-F325 HydrophobicContact CG2-CZ 4.04Å; F312-F325 HydrophobicContact CD1-CD1 4.27Å; F312-F325 HydrophobicContact CD1-CE1 4.19Å; F312-F325 AromaticContact CE1-CD1 3.92Å; F312-F325 HydrophobicContact CE1-CD1 3.92Å; F312-F325 HydrophobicContact CE1-CE1 4.24Å; F325-A327 PolarHBondContact O-N 3.16Å; F325-A327 VanDerWaalsContact O-N 3.12Å; F325-F328 HydrophobicContact CB-CB 4.35Å; F325-F328 HydrophobicContact CD1-CB 4.18Å; F325-F328 AromaticContact CD1-CD2 3.67Å; F325-F328 HydrophobicContact CD1-CD2 3.67Å; F325-F328 HydrophobicContact CD1-CE2 4.31Å; F325-F328 HydrophobicContact CD1-CG 4.16Å; F325-F328 HydrophobicContact CE1-CD2 4.05Å; F325-F328 HydrophobicContact CE1-CE2 4.28Å; F325-F328 WeakPolarHBondContact O-CA 3.32Å; F325-F328 WeakPolarHBondContact O-CB 3.25Å; F325-F328 PolarHBondContact O-N 2.92Å; F325-Y352 HydrophobicContact CB-CE1 4.36Å; F325-Y352 HydrophobicContact CD1-CD1 4.35Å; F325-Y352 AromaticContact CD1-CE1 3.43Å; F325-Y352 HydrophobicContact CD1-CE1 3.43Å; F325-Y352 VanDerWaalsContact CD1-CE1 3.43Å; F325-Y352 HydrophobicContact CD2-CE1 4.43Å; F325-Y352 HydrophobicContact CE1-CD1 4.44Å; F325-Y352 AromaticContact CE1-CE1 3.66Å; F325-Y352 HydrophobicContact CE1-CE1 3.66Å; F325-Y352 HydrophobicContact CG-CD1 4.44Å; F325-Y352 AromaticContact CG-CE1 3.84Å; F325-Y352 HydrophobicContact CG-CE1 3.84Å; F325-Y352 HydrophobicContact CZ-CE1 4.24Å; F325-E356 HydrophobicContact CE2-CB 3.86Å; F325-E356 HydrophobicContact CE2-CG 3.54Å; F325-E356 WeakPolarHBondContact CE2-OE2 3.37Å; F325-E356 HydrophobicContact CZ-CB 4.5Å; F325-E356 HydrophobicContact CZ-CG 3.7Å; F325-L358 HydrophobicContact CB-CD1 4.21Å; F325-L358 HydrophobicContact CD2-CD1 4.32Å; F325-L358 HydrophobicContact CG-CD1 4.48Å; F325-L366 HydrophobicContact CB-CD1 3.87Å; F325-L366 WeakPolarHBondContact O-CD2 3.47Å
326	D	92.7	Very high	83.7	Confident	98 Å²	98	63.2 Å²	63.2	52%	0.524	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.8	-176.9	-49.5	-37.2	0	0	0	112.6	T324 F328	T324-D326 PolarHBondContact OG1-OD2 3.04Å; D326-F328 VanDerWaalsContact C-N 3.33Å
327	A	93.3	Very high	85.6	Confident	36 Å²	36	55.5 Å²	55.5	30%	0.298	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	10.6	177.9	0	0	0	0	0	113.9	F325 D330 K331	F325-A327 PolarHBondContact O-N 3.16Å; F325-A327 VanDerWaalsContact O-N 3.12Å; A327-D330 PolarHBondContact O-N 3.13Å; A327-K331 PolarHBondContact O-N 2.83Å
328	F	96.9	Very high	87.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-49.9	-179	-170.9	-91.1	0	0	0	111.7	I308 I309 F312 F325 D326 D330 K331 V332 L348 Y352 T370	I308-F328 HydrophobicContact CG2-CE2 4.38Å; I308-F328 HydrophobicContact CG2-CZ 3.99Å; I309-F328 HydrophobicContact CG1-CE2 3.98Å; I309-F328 HydrophobicContact CG1-CZ 4.19Å; F312-F328 HydrophobicContact CB-CD2 4.2Å; F312-F328 HydrophobicContact CB-CE2 4.07Å; F312-F328 AromaticContact CD1-CD2 3.69Å; F312-F328 HydrophobicContact CD1-CD2 3.69Å; F312-F328 HydrophobicContact CD1-CE2 4.22Å; F312-F328 AromaticContact CD2-CD2 3.83Å; F312-F328 HydrophobicContact CD2-CD2 3.83Å; F312-F328 HydrophobicContact CD2-CE2 4.48Å; F312-F328 HydrophobicContact CE1-CB 4.49Å; F312-F328 AromaticContact CE1-CD2 3.93Å; F312-F328 HydrophobicContact CE1-CD2 3.93Å; F312-F328 HydrophobicContact CE2-CB 4.16Å; F312-F328 HydrophobicContact CE2-CD2 4.06Å; F312-F328 AromaticContact CG-CD2 3.62Å; F312-F328 HydrophobicContact CG-CD2 3.62Å; F312-F328 HydrophobicContact CG-CE2 4Å; F312-F328 HydrophobicContact CZ-CB 4.03Å; F312-F328 HydrophobicContact CZ-CD2 4.1Å; F325-F328 HydrophobicContact CB-CB 4.35Å; F325-F328 HydrophobicContact CD1-CB 4.18Å; F325-F328 AromaticContact CD1-CD2 3.67Å; F325-F328 HydrophobicContact CD1-CD2 3.67Å; F325-F328 HydrophobicContact CD1-CE2 4.31Å; F325-F328 HydrophobicContact CD1-CG 4.16Å; F325-F328 HydrophobicContact CE1-CD2 4.05Å; F325-F328 HydrophobicContact CE1-CE2 4.28Å; F325-F328 WeakPolarHBondContact O-CA 3.32Å; F325-F328 WeakPolarHBondContact O-CB 3.25Å; F325-F328 PolarHBondContact O-N 2.92Å; D326-F328 VanDerWaalsContact C-N 3.33Å; F328-D330 PolarHBondContact O-N 3.14Å; F328-K331 CarbonylContact O-C 3.55Å; F328-K331 PolarHBondContact O-N 3.4Å; F328-V332 HydrophobicContact CD1-CB 4Å; F328-V332 HydrophobicContact CD1-CG1 4.36Å; F328-V332 HydrophobicContact CD1-CG2 4.29Å; F328-V332 HydrophobicContact CD2-CG2 4.04Å; F328-V332 HydrophobicContact CE1-CB 3.83Å; F328-V332 HydrophobicContact CE1-CG1 3.7Å; F328-V332 HydrophobicContact CE1-CG2 4.12Å; F328-V332 HydrophobicContact CE2-CB 4.47Å; F328-V332 HydrophobicContact CE2-CG2 3.85Å; F328-V332 HydrophobicContact CG-CB 4.43Å; F328-V332 HydrophobicContact CG-CG2 4.27Å; F328-V332 HydrophobicContact CZ-CB 4.08Å; F328-V332 HydrophobicContact CZ-CG1 3.85Å; F328-V332 HydrophobicContact CZ-CG2 3.91Å; F328-V332 VanDerWaalsContact O-CB 3.31Å; F328-V332 WeakPolarHBondContact O-CB 2.96Å; F328-V332 PolarHBondContact O-N 2.96Å; F328-L348 HydrophobicContact CE1-CD2 4.31Å; F328-L348 HydrophobicContact CZ-CD1 4.46Å; F328-Y352 WeakPolarHBondContact CD1-OH 3.15Å; F328-Y352 VanDerWaalsContact CE1-OH 3.25Å; F328-Y352 WeakPolarHBondContact CE1-OH 3.42Å; F328-Y352 VanDerWaalsContact CG-OH 3.27Å; F328-Y352 WeakPolarHBondContact CG-OH 3.47Å; F328-T370 HydrophobicContact CD1-CG2 4.25Å; F328-T370 HydrophobicContact CE1-CG2 3.83Å
329	P	97.8	Very high	89.5	Confident	6 Å²	6	43.9 Å²	43.9	4%	0.039	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-23.3	177.3	-19.9	34.5	0	0	0	113.3	K81 K331 L366 R369	K81-P329 WeakPolarHBondContact CE-O 3.31Å; K81-P329 PolarHBondContact NZ-O 3.38Å; P329-K331 VanDerWaalsContact C-N 3.25Å; P329-K331 PolarHBondContact O-N 2.85Å; P329-L366 HydrophobicContact CG-CD2 3.86Å; P329-R369 HydrophobicContact CB-CB 3.74Å; P329-R369 HydrophobicContact CG-CB 3.86Å
330	D	96	Very high	91.4	Very high	95 Å²	95	35.7 Å²	35.7	51%	0.508	21%	0.208	S	C	.	.	H	α-helix	trans	-77	-15	175.8	-55.6	-33.1	0	0	0	112.4	K81 A327 F328	K81-D330 WeakPolarHBondContact CB-O 3.45Å; K81-D330 WeakPolarHBondContact CD-O 3.35Å; K81-D330 WeakPolarHBondContact CG-O 3.49Å; A327-D330 PolarHBondContact O-N 3.13Å; F328-D330 PolarHBondContact O-N 3.14Å
331	K	96.4	Very high	93.1	Very high	55 Å²	55	30.5 Å²	30.5	24%	0.239	18%	0.175	C	C	.	.	H	α-helix	trans	-119.5	-12.5	-177.8	-66.1	-63.1	-179.4	-178.4	0	114	D79 R82 F312 A327 F328 P329	D79-K331 PolarHBondContact O-NZ 2.81Å; R82-K331 PolarHBondContact N-O 3.42Å; F312-K331 HydrophobicContact CD2-CB 3.94Å; F312-K331 HydrophobicContact CE2-CB 3.96Å; F312-K331 HydrophobicContact CE2-CG 4.28Å; A327-K331 PolarHBondContact O-N 2.83Å; F328-K331 CarbonylContact O-C 3.55Å; F328-K331 PolarHBondContact O-N 3.4Å; P329-K331 VanDerWaalsContact C-N 3.25Å; P329-K331 PolarHBondContact O-N 2.85Å
332	V	98.6	Very high	94.5	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	122.4	-174.2	-179.6	0	0	0	0	108.9	Y84 I308 F312 F328 I334 T370	Y84-V332 HydrophobicContact CD2-CG1 3.79Å; Y84-V332 HydrophobicContact CE2-CB 4.49Å; Y84-V332 HydrophobicContact CE2-CG1 3.87Å; Y84-V332 HydrophobicContact CE2-CG2 4.35Å; I308-V332 HydrophobicContact CG2-CG1 3.72Å; I308-V332 HydrophobicContact CG2-CG2 4.06Å; F312-V332 HydrophobicContact CB-CG2 4.48Å; F312-V332 HydrophobicContact CD2-CG2 4.23Å; F328-V332 HydrophobicContact CD1-CB 4Å; F328-V332 HydrophobicContact CD1-CG1 4.36Å; F328-V332 HydrophobicContact CD1-CG2 4.29Å; F328-V332 HydrophobicContact CD2-CG2 4.04Å; F328-V332 HydrophobicContact CE1-CB 3.83Å; F328-V332 HydrophobicContact CE1-CG1 3.7Å; F328-V332 HydrophobicContact CE1-CG2 4.12Å; F328-V332 HydrophobicContact CE2-CB 4.47Å; F328-V332 HydrophobicContact CE2-CG2 3.85Å; F328-V332 HydrophobicContact CG-CB 4.43Å; F328-V332 HydrophobicContact CG-CG2 4.27Å; F328-V332 HydrophobicContact CZ-CB 4.08Å; F328-V332 HydrophobicContact CZ-CG1 3.85Å; F328-V332 HydrophobicContact CZ-CG2 3.91Å; F328-V332 VanDerWaalsContact O-CB 3.31Å; F328-V332 WeakPolarHBondContact O-CB 2.96Å; F328-V332 PolarHBondContact O-N 2.96Å; V332-I334 HydrophobicContact CG1-CD1 4.08Å; V332-I334 HydrophobicContact CG1-CG1 3.8Å; V332-T370 HydrophobicContact CG1-CG2 3.94Å
333	A	98.8	Very high	95.4	Very high	3 Å²	3	26 Å²	26	3%	0.025	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133	162.5	0	0	0	0	0	108.5	R82 Y84 W824	R82-A333 PolarHBondContact O-N 3.35Å; Y84-A333 PolarHBondContact N-O 3.31Å; A333-W824 HydrophobicContact CB-CB 4.06Å; A333-W824 HydrophobicContact CB-CG 4.17Å
334	I	98.9	Very high	96.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.2	178.3	-54.9	176.6	0	0	0	109.1	Y84 L86 L305 I308 V332 L336 T370 F371 A372	Y84-I334 HydrophobicContact CD2-CG1 4.35Å; Y84-I334 WeakPolarHBondContact O-CA 3.33Å; L86-I334 HydrophobicContact CD1-CG2 3.73Å; L86-I334 HydrophobicContact CD2-CG2 4.03Å; L86-I334 HydrophobicContact CG-CG2 4.41Å; L305-I334 HydrophobicContact CD2-CD1 3.61Å; I308-I334 HydrophobicContact CD1-CD1 3.98Å; I308-I334 HydrophobicContact CD1-CG1 4.29Å; V332-I334 HydrophobicContact CG1-CD1 4.08Å; V332-I334 HydrophobicContact CG1-CG1 3.8Å; I334-L336 HydrophobicContact CG2-CD2 4.33Å; I334-T370 HydrophobicContact CB-CG2 4.28Å; I334-T370 HydrophobicContact CD1-CG2 3.78Å; I334-T370 HydrophobicContact CG1-CG2 3.77Å; I334-T370 PolarHBondContact N-O 2.81Å; I334-F371 HydrophobicContact CB-CD1 3.68Å; I334-F371 HydrophobicContact CB-CE1 3.67Å; I334-F371 HydrophobicContact CD1-CE1 3.81Å; I334-F371 HydrophobicContact CD1-CZ 4Å; I334-F371 HydrophobicContact CG1-CE1 4.32Å; I334-F371 HydrophobicContact CG2-CD1 3.77Å; I334-F371 HydrophobicContact CG2-CE1 3.49Å; I334-F371 VanDerWaalsContact CG2-CE1 3.49Å; I334-F371 WeakPolarHBondContact O-CA 3.48Å; I334-A372 PolarHBondContact O-N 3.02Å
335	Q	98.9	Very high	97.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126	175.4	-167.8	67.3	37	0	0	109.9	Y84 Y85 L86 A372 T374 W824	Y84-Q335 PolarHBondContact O-N 3.42Å; Y85-Q335 HydrophobicContact CD2-CB 3.8Å; Y85-Q335 HydrophobicContact CD2-CG 3.86Å; Y85-Q335 HydrophobicContact CE2-CB 4.27Å; Y85-Q335 HydrophobicContact CE2-CG 3.8Å; L86-Q335 PolarHBondContact N-O 3.14Å; Q335-A372 PolarHBondContact NE2-O 3.32Å; Q335-T374 PolarHBondContact NE2-OG1 3.38Å; Q335-W824 HydrophobicContact CB-CZ2 4.22Å; Q335-W824 HydrophobicContact CG-CZ2 4.24Å
336	L	98.8	Very high	97.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.1	173.5	-53.8	-179.2	0	0	0	109.1	I334 D338 P341 A344 I345 F371 A372 Y373 T374	I334-L336 HydrophobicContact CG2-CD2 4.33Å; L336-D338 PolarHBondContact O-N 3.23Å; L336-P341 HydrophobicContact CB-CG 3.94Å; L336-P341 HydrophobicContact CD2-CB 4.05Å; L336-P341 HydrophobicContact CD2-CG 3.86Å; L336-P341 HydrophobicContact CG-CG 4.48Å; L336-A344 HydrophobicContact CD2-CB 4.12Å; L336-I345 HydrophobicContact CD1-CD1 4Å; L336-I345 HydrophobicContact CD1-CG1 4.34Å; L336-F371 HydrophobicContact CD1-CD1 4.21Å; L336-F371 HydrophobicContact CD2-CD1 3.86Å; L336-F371 HydrophobicContact CD2-CE1 3.96Å; L336-F371 HydrophobicContact CG-CD1 4.07Å; L336-A372 PolarHBondContact N-O 3.36Å; L336-Y373 HydrophobicContact CB-CD2 4.49Å; L336-T374 PolarHBondContact O-N 3.41Å
337	N	97.6	Very high	97.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	96.1	175.1	-169.1	28.3	0	0	0	110	Y85 L86 S87 L137 H376	Y85-N337 HydrophobicContact CE1-CB 3.77Å; Y85-N337 PolarHBondContact OH-ND2 3.34Å; Y85-N337 PolarHBondContact OH-OD1 2.97Å; L86-N337 VanDerWaalsContact O-CB 3.23Å; L86-N337 WeakPolarHBondContact O-CB 3.38Å; L86-N337 PolarHBondContact O-N 2.96Å; S87-N337 PolarHBondContact OG-ND2 3.42Å; L137-N337 VanDerWaalsContact CD2-ND2 3.29Å; L137-N337 WeakPolarHBondContact CD2-ND2 3.31Å; N337-H376 PolarHBondContact OD1-NE2 3.42Å
338	D	95.9	Very high	97.9	Very high	11 Å²	11	9.2 Å²	9.2	6%	0.059	5%	0.047	C	C	.	.	S	Bend	trans	64.3	-165.6	-165.9	-143.8	-43.4	0	0	0	112.8	L137 L336 P341 T374	L137-D338 HydrophobicContact CD1-CB 3.84Å; L336-D338 PolarHBondContact O-N 3.23Å; D338-P341 WeakPolarHBondContact O-CD 3.28Å; D338-T374 VanDerWaalsContact CA-O 3.25Å; D338-T374 WeakPolarHBondContact CA-O 3.48Å; D338-T374 PolarHBondContact N-O 3.36Å
339	T	96.8	Very high	97.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-84.2	-11.7	-176.8	45.4	0	0	0	0	113.7	A342 Y373 E384 M440 A441	T339-A342 WeakPolarHBondContact O-CB 3.44Å; T339-A342 PolarHBondContact O-N 3.09Å; T339-Y373 HydrophobicContact CG2-CE2 3.98Å; T339-E384 VanDerWaalsContact C-OE2 3.24Å; T339-E384 PolarHBondContact OG1-OE2 3.21Å; T339-M440 HydrophobicContact CG2-CB 4.21Å; T339-A441 HydrophobicContact CG2-CB 3.98Å
340	H	94.8	Very high	98	Very high	18 Å²	18	10.2 Å²	10.2	8%	0.083	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-42.3	-179.5	-41.2	126.1	0	0	0	114.3	L88 Y281 R293 E297 A342 E384	L88-H340 HydrophobicContact CB-CB 4.37Å; L88-H340 HydrophobicContact CD1-CB 3.7Å; L88-H340 HydrophobicContact CD2-CB 4.13Å; L88-H340 HydrophobicContact CG-CB 4.26Å; Y281-H340 PolarHBondContact OH-CE1 2.8Å; Y281-H340 PolarHBondContact OH-NE2 2.92Å; R293-H340 PolarHBondContact NH2-CD2 3.19Å; R293-H340 PolarHBondContact NH2-NE2 2.92Å; E297-H340 WeakPolarHBondContact CB-O 3.46Å; E297-H340 HydrophobicContact CG-CB 4.44Å; E297-H340 WeakPolarHBondContact CG-O 3.37Å; H340-A342 VanDerWaalsContact C-N 3.34Å; H340-E384 WeakPolarHBondContact CA-OE2 3.49Å; H340-E384 IonicContact CD2-OE1 3.28Å; H340-E384 PolarHBondContact CD2-OE1 3.06Å; H340-E384 IonicContact CD2-OE2 2.66Å; H340-E384 PolarHBondContact N-OE2 3.47Å
341	P	97.8	Very high	98.1	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	16.8	174.9	36.8	-34.3	0	0	0	113.8	L86 V301 L336 D338 M343 A344	L86-P341 HydrophobicContact CB-CB 3.87Å; L86-P341 HydrophobicContact CB-CG 4.17Å; L86-P341 HydrophobicContact CD2-CB 4.27Å; V301-P341 HydrophobicContact CG2-CB 4.21Å; L336-P341 HydrophobicContact CB-CG 3.94Å; L336-P341 HydrophobicContact CD2-CB 4.05Å; L336-P341 HydrophobicContact CD2-CG 3.86Å; L336-P341 HydrophobicContact CG-CG 4.48Å; D338-P341 WeakPolarHBondContact O-CD 3.28Å; P341-M343 PolarHBondContact O-N 3.35Å; P341-M343 VanDerWaalsContact O-N 3.11Å; P341-A344 WeakPolarHBondContact O-CB 3.11Å; P341-A344 PolarHBondContact O-N 2.84Å
342	A	98.3	Very high	98.2	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.7	-176.1	0	0	0	0	0	113.7	T339 H340 A344 I345 P346 M440 C444	T339-A342 WeakPolarHBondContact O-CB 3.44Å; T339-A342 PolarHBondContact O-N 3.09Å; H340-A342 VanDerWaalsContact C-N 3.34Å; A342-A344 PolarHBondContact O-N 2.77Å; A342-I345 PolarHBondContact O-N 2.98Å; A342-I345 VanDerWaalsContact O-N 3.12Å; A342-P346 WeakPolarHBondContact O-CD 3.26Å; A342-M440 HydrophobicContact CB-CB 4.15Å; A342-M440 HydrophobicContact CB-CE 3.69Å; A342-C444 WeakPolarHBondContact CB-SG 3.39Å
343	M	98.6	Very high	98.1	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.7	175.1	-67.3	-56.9	-61.6	0	0	113.6	L294 Y298 V301 P341 I345 P346 E347 L391 L395 H398 I402 M440	L294-M343 HydrophobicContact CD1-CG 4.47Å; Y298-M343 HydrophobicContact CD2-CB 4.34Å; V301-M343 HydrophobicContact CG1-CB 4.49Å; V301-M343 HydrophobicContact CG2-CB 4.43Å; P341-M343 PolarHBondContact O-N 3.35Å; P341-M343 VanDerWaalsContact O-N 3.11Å; M343-I345 PolarHBondContact O-N 2.59Å; M343-P346 HydrophobicContact CE-CG 3.85Å; M343-P346 VanDerWaalsContact O-CD 3.29Å; M343-P346 WeakPolarHBondContact O-CD 3.43Å; M343-P346 WeakPolarHBondContact O-CG 3.36Å; M343-P346 HydrophobicContact SD-CG 4.15Å; M343-E347 VanDerWaalsContact O-CB 3.28Å; M343-E347 WeakPolarHBondContact O-CB 3.31Å; M343-E347 PolarHBondContact O-N 2.83Å; M343-L391 HydrophobicContact CE-CD2 4.25Å; M343-L391 HydrophobicContact SD-CD2 4.25Å; M343-L395 HydrophobicContact CE-CD1 3.72Å; M343-H398 HydrophobicContact CE-CB 3.57Å; M343-I402 HydrophobicContact CE-CD1 4.41Å; M343-I402 HydrophobicContact SD-CD1 4.34Å; M343-M440 HydrophobicContact CG-CE 4.21Å; M343-M440 HydrophobicContact SD-CE 3.65Å
344	A	98.8	Very high	98	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.6	-31.5	172.8	0	0	0	0	0	113	L86 V301 L305 L336 P341 A342 L348 F371	L86-A344 HydrophobicContact CD2-CB 4.29Å; V301-A344 HydrophobicContact CG1-CB 3.89Å; V301-A344 HydrophobicContact CG2-CB 4.06Å; L305-A344 HydrophobicContact CD1-CB 4.19Å; L305-A344 WeakPolarHBondContact CD1-O 3.28Å; L336-A344 HydrophobicContact CD2-CB 4.12Å; P341-A344 WeakPolarHBondContact O-CB 3.11Å; P341-A344 PolarHBondContact O-N 2.84Å; A342-A344 PolarHBondContact O-N 2.77Å; A344-L348 VanDerWaalsContact O-CB 3.31Å; A344-L348 WeakPolarHBondContact O-CB 3.38Å; A344-L348 PolarHBondContact O-N 3.3Å; A344-F371 HydrophobicContact CB-CE1 3.55Å; A344-F371 HydrophobicContact CB-CZ 3.62Å; A344-F371 WeakPolarHBondContact O-CZ 3.36Å
345	I	98.9	Very high	97.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.9	-59.7	177.6	-66	160.9	0	0	0	110.6	L336 A342 M343 E347 L348 M349 W364 T367 F371 I405 L443	L336-I345 HydrophobicContact CD1-CD1 4Å; L336-I345 HydrophobicContact CD1-CG1 4.34Å; A342-I345 PolarHBondContact O-N 2.98Å; A342-I345 VanDerWaalsContact O-N 3.12Å; M343-I345 PolarHBondContact O-N 2.59Å; I345-E347 VanDerWaalsContact C-N 3.32Å; I345-E347 PolarHBondContact O-N 3.2Å; I345-L348 PolarHBondContact O-N 2.78Å; I345-M349 PolarHBondContact O-N 3.31Å; I345-W364 HydrophobicContact CG2-CH2 4.29Å; I345-W364 HydrophobicContact CG2-CZ3 3.89Å; I345-T367 HydrophobicContact CG2-CG2 4.11Å; I345-F371 HydrophobicContact CG1-CD2 3.91Å; I345-F371 HydrophobicContact CG1-CE2 4.18Å; I345-F371 HydrophobicContact CG1-CG 4.15Å; I345-I405 HydrophobicContact CG2-CD1 4.36Å; I345-L443 HydrophobicContact CD1-CG 4.44Å; I345-L443 HydrophobicContact CG2-CD1 4.19Å
346	P	98.8	Very high	97.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68	-28.2	178.3	26.4	-35.4	0	0	0	113.2	A342 M343 R350 H398 I401 I402 L443	A342-P346 WeakPolarHBondContact O-CD 3.26Å; M343-P346 HydrophobicContact CE-CG 3.85Å; M343-P346 VanDerWaalsContact O-CD 3.29Å; M343-P346 WeakPolarHBondContact O-CD 3.43Å; M343-P346 WeakPolarHBondContact O-CG 3.36Å; M343-P346 HydrophobicContact SD-CG 4.15Å; P346-R350 WeakPolarHBondContact O-CB 3.43Å; P346-R350 PolarHBondContact O-N 2.99Å; P346-H398 HydrophobicContact CB-CB 4.34Å; P346-I401 HydrophobicContact CB-CB 4.42Å; P346-I401 HydrophobicContact CB-CG2 3.94Å; P346-I402 HydrophobicContact CB-CG1 4.08Å; P346-I402 HydrophobicContact CG-CD1 4.27Å; P346-I402 HydrophobicContact CG-CG1 4.18Å; P346-L443 HydrophobicContact CG-CD2 4.38Å
347	E	98.9	Very high	97.4	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-69.6	-40.1	175.4	176	58.3	-173.7	0	0	112.4	Y298 V301 L305 M343 I345 M349 R350 I351 H398	Y298-E347 HydrophobicContact CE2-CB 4.27Å; Y298-E347 HydrophobicContact CE2-CG 4.34Å; Y298-E347 PolarHBondContact OH-OE2 3.16Å; Y298-E347 VanDerWaalsContact OH-OE2 3.1Å; V301-E347 HydrophobicContact CG1-CB 3.82Å; V301-E347 HydrophobicContact CG1-CG 4.08Å; L305-E347 HydrophobicContact CD1-CB 3.78Å; L305-E347 HydrophobicContact CD1-CG 3.58Å; M343-E347 VanDerWaalsContact O-CB 3.28Å; M343-E347 WeakPolarHBondContact O-CB 3.31Å; M343-E347 PolarHBondContact O-N 2.83Å; I345-E347 VanDerWaalsContact C-N 3.32Å; I345-E347 PolarHBondContact O-N 3.2Å; E347-M349 VanDerWaalsContact C-N 3.33Å; E347-M349 PolarHBondContact O-N 2.86Å; E347-R350 WeakPolarHBondContact O-CB 3.39Å; E347-R350 PolarHBondContact O-N 2.86Å; E347-R350 IonicContact OE1-CZ 3.31Å; E347-R350 IonicContact OE1-NE 3.78Å; E347-R350 PolarHBondContact OE1-NE 2.83Å; E347-R350 IonicContact OE1-NH2 3.78Å; E347-R350 PolarHBondContact OE1-NH2 2.87Å; E347-R350 IonicContact OE2-CZ 2.71Å; E347-R350 IonicContact OE2-NE 3.56Å; E347-R350 PolarHBondContact OE2-NE 3.09Å; E347-R350 IonicContact OE2-NH2 2.87Å; E347-I351 HydrophobicContact CG-CD1 4.16Å; E347-I351 WeakPolarHBondContact O-CG1 3.44Å; E347-I351 PolarHBondContact O-N 3.26Å; E347-H398 IonicContact OE2-CD2 3.75Å; E347-H398 IonicContact OE2-CE1 3.8Å; E347-H398 IonicContact OE2-NE2 2.58Å; E347-H398 PolarHBondContact OE2-NE2 3.02Å
348	L	98.8	Very high	97.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-42.6	175.2	-174.6	59.5	0	0	0	110.8	L305 I309 F328 A344 I345 R350 I351 Y352 T367 F371	L305-L348 HydrophobicContact CD1-CB 4.13Å; L305-L348 HydrophobicContact CD2-CD1 4.41Å; I309-L348 HydrophobicContact CD1-CD1 4.13Å; F328-L348 HydrophobicContact CE1-CD2 4.31Å; F328-L348 HydrophobicContact CZ-CD1 4.46Å; A344-L348 VanDerWaalsContact O-CB 3.31Å; A344-L348 WeakPolarHBondContact O-CB 3.38Å; A344-L348 PolarHBondContact O-N 3.3Å; I345-L348 PolarHBondContact O-N 2.78Å; L348-R350 VanDerWaalsContact C-N 3.35Å; L348-R350 PolarHBondContact O-N 3.31Å; L348-I351 PolarHBondContact O-N 3.21Å; L348-Y352 HydrophobicContact CD1-CD2 4.33Å; L348-Y352 HydrophobicContact CD1-CE1 3.95Å; L348-Y352 HydrophobicContact CD1-CE2 3.79Å; L348-Y352 HydrophobicContact CD2-CE2 3.85Å; L348-Y352 HydrophobicContact CG-CD2 3.98Å; L348-Y352 HydrophobicContact CG-CE2 3.52Å; L348-Y352 PolarHBondContact O-N 3.49Å; L348-T367 HydrophobicContact CD2-CG2 4.44Å; L348-F371 HydrophobicContact CB-CE2 3.95Å; L348-F371 HydrophobicContact CB-CZ 4.21Å; L348-F371 HydrophobicContact CD2-CD2 4.36Å; L348-F371 HydrophobicContact CD2-CE2 3.49Å; L348-F371 VanDerWaalsContact CD2-CE2 3.49Å; L348-F371 HydrophobicContact CD2-CZ 4.03Å; L348-F371 HydrophobicContact CG-CE2 4.37Å
349	M	98.8	Very high	97.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.8	-45.9	171.9	-72.6	-62	-68.2	0	0	111.7	I345 E347 I351 Y352 L353 W360 A363 W364 T367 I401	I345-M349 PolarHBondContact O-N 3.31Å; E347-M349 VanDerWaalsContact C-N 3.33Å; E347-M349 PolarHBondContact O-N 2.86Å; M349-I351 VanDerWaalsContact C-N 3.34Å; M349-I351 PolarHBondContact O-N 3.5Å; M349-Y352 PolarHBondContact O-N 3Å; M349-L353 HydrophobicContact CE-CD1 4.12Å; M349-L353 HydrophobicContact CE-CG 4.5Å; M349-L353 WeakPolarHBondContact O-CB 3.47Å; M349-L353 WeakPolarHBondContact O-CG 3.34Å; M349-L353 PolarHBondContact O-N 2.77Å; M349-W360 HydrophobicContact CE-CD2 3.92Å; M349-W360 HydrophobicContact CE-CE3 3.81Å; M349-W360 HydrophobicContact CE-CH2 4.03Å; M349-W360 HydrophobicContact CE-CZ2 4.13Å; M349-W360 HydrophobicContact CE-CZ3 3.88Å; M349-A363 HydrophobicContact CE-CB 3.86Å; M349-A363 HydrophobicContact SD-CB 3.88Å; M349-A363 VanDerWaalsContact SD-O 3.41Å; M349-W364 HydrophobicContact CE-CB 3.99Å; M349-W364 HydrophobicContact CE-CE3 4.2Å; M349-W364 HydrophobicContact CG-CE3 4.1Å; M349-W364 HydrophobicContact CG-CZ3 4.41Å; M349-W364 VanDerWaalsContact SD-CA 3.59Å; M349-W364 HydrophobicContact SD-CB 4.22Å; M349-W364 HydrophobicContact SD-CE3 3.78Å; M349-T367 HydrophobicContact CG-CG2 4.21Å; M349-T367 HydrophobicContact SD-CG2 4.35Å; M349-T367 PolarHBondContact SD-OG1 3.25Å; M349-I401 HydrophobicContact CB-CG2 3.85Å; M349-I401 HydrophobicContact CG-CG2 4.45Å
350	R	98.7	Very high	97.4	Very high	27 Å²	27	25 Å²	25	10%	0.102	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-45.3	177.6	-167.8	-163.3	65.3	74.5	2	111.5	P346 E347 L348 D354 R397 I401	P346-R350 WeakPolarHBondContact O-CB 3.43Å; P346-R350 PolarHBondContact O-N 2.99Å; E347-R350 WeakPolarHBondContact O-CB 3.39Å; E347-R350 PolarHBondContact O-N 2.86Å; E347-R350 IonicContact OE1-CZ 3.31Å; E347-R350 IonicContact OE1-NE 3.78Å; E347-R350 PolarHBondContact OE1-NE 2.83Å; E347-R350 IonicContact OE1-NH2 3.78Å; E347-R350 PolarHBondContact OE1-NH2 2.87Å; E347-R350 IonicContact OE2-CZ 2.71Å; E347-R350 IonicContact OE2-NE 3.56Å; E347-R350 PolarHBondContact OE2-NE 3.09Å; E347-R350 IonicContact OE2-NH2 2.87Å; L348-R350 VanDerWaalsContact C-N 3.35Å; L348-R350 PolarHBondContact O-N 3.31Å; R350-D354 HydrophobicContact CG-CB 4.44Å; R350-D354 WeakPolarHBondContact CG-OD2 3.35Å; R350-D354 WeakPolarHBondContact O-CB 3.24Å; R350-D354 PolarHBondContact O-N 2.69Å; R350-R397 HydrophobicContact CG-CG 3.88Å; R350-I401 HydrophobicContact CB-CD1 3.59Å; R350-I401 HydrophobicContact CG-CD1 4.04Å
351	I	98.3	Very high	97.6	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	15%	0.145	C	C	.	.	I	π-helix	trans	-63.2	-46.3	178.4	-64.4	165.7	0	0	0	110.2	L305 I309 E347 L348 M349 I355 E356	L305-I351 HydrophobicContact CB-CD1 4.03Å; I309-I351 HydrophobicContact CD1-CB 4.25Å; I309-I351 HydrophobicContact CD1-CD1 3.86Å; I309-I351 HydrophobicContact CD1-CG2 3.55Å; E347-I351 HydrophobicContact CG-CD1 4.16Å; E347-I351 WeakPolarHBondContact O-CG1 3.44Å; E347-I351 PolarHBondContact O-N 3.26Å; L348-I351 PolarHBondContact O-N 3.21Å; M349-I351 VanDerWaalsContact C-N 3.34Å; M349-I351 PolarHBondContact O-N 3.5Å; I351-I355 HydrophobicContact CG1-CD1 4.31Å; I351-I355 HydrophobicContact CG2-CB 4.48Å; I351-I355 HydrophobicContact CG2-CD1 4.36Å; I351-I355 WeakPolarHBondContact O-CA 3.48Å; I351-I355 VanDerWaalsContact O-CB 3.31Å; I351-I355 WeakPolarHBondContact O-CB 3.36Å; I351-I355 PolarHBondContact O-N 2.76Å; I351-I355 VanDerWaalsContact O-N 3.15Å; I351-E356 HydrophobicContact CG2-CG 4.14Å; I351-E356 PolarHBondContact O-N 3.31Å
352	Y	97.9	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-61.6	-45.7	178.8	-73.4	-23.5	0	0	0	113.8	F325 F328 L348 M349 E356 K357 L358 A363 L366	F325-Y352 HydrophobicContact CB-CE1 4.36Å; F325-Y352 HydrophobicContact CD1-CD1 4.35Å; F325-Y352 AromaticContact CD1-CE1 3.43Å; F325-Y352 HydrophobicContact CD1-CE1 3.43Å; F325-Y352 VanDerWaalsContact CD1-CE1 3.43Å; F325-Y352 HydrophobicContact CD2-CE1 4.43Å; F325-Y352 HydrophobicContact CE1-CD1 4.44Å; F325-Y352 AromaticContact CE1-CE1 3.66Å; F325-Y352 HydrophobicContact CE1-CE1 3.66Å; F325-Y352 HydrophobicContact CG-CD1 4.44Å; F325-Y352 AromaticContact CG-CE1 3.84Å; F325-Y352 HydrophobicContact CG-CE1 3.84Å; F325-Y352 HydrophobicContact CZ-CE1 4.24Å; F328-Y352 WeakPolarHBondContact CD1-OH 3.15Å; F328-Y352 VanDerWaalsContact CE1-OH 3.25Å; F328-Y352 WeakPolarHBondContact CE1-OH 3.42Å; F328-Y352 VanDerWaalsContact CG-OH 3.27Å; F328-Y352 WeakPolarHBondContact CG-OH 3.47Å; L348-Y352 HydrophobicContact CD1-CD2 4.33Å; L348-Y352 HydrophobicContact CD1-CE1 3.95Å; L348-Y352 HydrophobicContact CD1-CE2 3.79Å; L348-Y352 HydrophobicContact CD2-CE2 3.85Å; L348-Y352 HydrophobicContact CG-CD2 3.98Å; L348-Y352 HydrophobicContact CG-CE2 3.52Å; L348-Y352 PolarHBondContact O-N 3.49Å; M349-Y352 PolarHBondContact O-N 3Å; Y352-E356 CarbonylContact O-C 3.1Å; Y352-K357 PolarHBondContact O-N 2.87Å; Y352-L358 HydrophobicContact CD1-CD1 3.83Å; Y352-L358 HydrophobicContact CD2-CD1 4.48Å; Y352-L358 HydrophobicContact CE1-CD1 4.46Å; Y352-L358 HydrophobicContact CG-CD1 3.85Å; Y352-L358 PolarHBondContact O-N 3.36Å; Y352-A363 HydrophobicContact CD2-CB 4.06Å; Y352-A363 HydrophobicContact CG-CB 4.32Å; Y352-L366 HydrophobicContact CE2-CB 3.97Å
353	L	97.4	Very high	97.6	Very high	26 Å²	26	32.6 Å²	32.6	14%	0.136	16%	0.159	C	C	.	.	I	π-helix	trans	-77.2	-54.5	-176.9	-63.7	170.1	0	0	0	112	M349 K357 L358 W360 A363	M349-L353 HydrophobicContact CE-CD1 4.12Å; M349-L353 HydrophobicContact CE-CG 4.5Å; M349-L353 WeakPolarHBondContact O-CB 3.47Å; M349-L353 WeakPolarHBondContact O-CG 3.34Å; M349-L353 PolarHBondContact O-N 2.77Å; L353-K357 WeakPolarHBondContact O-CA 3.44Å; L353-L358 WeakPolarHBondContact CD2-O 3.25Å; L353-W360 HydrophobicContact CD1-CE3 3.47Å; L353-W360 VanDerWaalsContact CD1-CE3 3.47Å; L353-W360 HydrophobicContact CD1-CZ3 3.54Å; L353-W360 HydrophobicContact CD2-CB 4.39Å; L353-W360 HydrophobicContact CD2-CE3 4.15Å; L353-W360 HydrophobicContact CG-CE3 4.44Å; L353-A363 HydrophobicContact CD2-CB 4.11Å; L353-A363 HydrophobicContact CG-CB 4.43Å
354	D	96.7	Very high	97.6	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.091	17%	0.165	C	C	.	.	I	π-helix	trans	-83.4	-32.8	-165.4	-57.6	-4.4	0	0	0	110.9	R350 K357 R397	R350-D354 HydrophobicContact CG-CB 4.44Å; R350-D354 WeakPolarHBondContact CG-OD2 3.35Å; R350-D354 WeakPolarHBondContact O-CB 3.24Å; R350-D354 PolarHBondContact O-N 2.69Å; D354-K357 WeakPolarHBondContact O-CE 3.36Å; D354-K357 PolarHBondContact O-NZ 3.27Å; D354-R397 IonicContact OD1-CZ 2.6Å; D354-R397 IonicContact OD1-NE 2.66Å; D354-R397 PolarHBondContact OD1-NE 3.19Å; D354-R397 IonicContact OD1-NH2 3.41Å; D354-R397 PolarHBondContact OD1-NH2 2.96Å; D354-R397 WeakPolarHBondContact OD2-CG 3.25Å; D354-R397 IonicContact OD2-CZ 3.33Å; D354-R397 IonicContact OD2-NE 2.77Å; D354-R397 PolarHBondContact OD2-NE 3.19Å; D354-R397 IonicContact OD2-NH2 2.85Å
355	I	94.9	Very high	97.6	Very high	95 Å²	95	37.1 Å²	37.1	49%	0.487	18%	0.18	S	C	.	.	I	π-helix	trans	-103.1	-55.5	-175.3	-55.6	175.4	0	0	0	111.4	I351 K357	I351-I355 HydrophobicContact CG1-CD1 4.31Å; I351-I355 HydrophobicContact CG2-CB 4.48Å; I351-I355 HydrophobicContact CG2-CD1 4.36Å; I351-I355 WeakPolarHBondContact O-CA 3.48Å; I351-I355 VanDerWaalsContact O-CB 3.31Å; I351-I355 WeakPolarHBondContact O-CB 3.36Å; I351-I355 PolarHBondContact O-N 2.76Å; I351-I355 VanDerWaalsContact O-N 3.15Å; I355-K357 VanDerWaalsContact C-N 3.31Å
356	E	94.6	Very high	97.5	Very high	57 Å²	57	37.2 Å²	37.2	27%	0.266	18%	0.181	S	C	.	.	S	Bend	trans	-84.9	-6.5	-175.1	-52.5	-67.8	166.2	0	0	113.1	K313 F325 I351 Y352 L358	K313-E356 IonicContact NZ-OE1 3.79Å; K313-E356 PolarHBondContact NZ-OE1 3.45Å; K313-E356 IonicContact NZ-OE2 3.84Å; K313-E356 PolarHBondContact NZ-OE2 3.38Å; F325-E356 HydrophobicContact CE2-CB 3.86Å; F325-E356 HydrophobicContact CE2-CG 3.54Å; F325-E356 WeakPolarHBondContact CE2-OE2 3.37Å; F325-E356 HydrophobicContact CZ-CB 4.5Å; F325-E356 HydrophobicContact CZ-CG 3.7Å; I351-E356 HydrophobicContact CG2-CG 4.14Å; I351-E356 PolarHBondContact O-N 3.31Å; Y352-E356 CarbonylContact O-C 3.1Å; E356-L358 VanDerWaalsContact C-N 3.29Å; E356-L358 PolarHBondContact O-N 3.28Å
357	K	94.7	Very high	97.5	Very high	113 Å²	113	37.2 Å²	37.2	49%	0.491	18%	0.181	S	C	.	.			trans	58.3	34.7	173.8	-53.4	-55.3	-171.2	-179.3	0	114.4	D212 Y352 L353 D354 I355	D212-K357 PolarHBondContact O-NZ 3.42Å; D212-K357 VanDerWaalsContact O-NZ 3.14Å; Y352-K357 PolarHBondContact O-N 2.87Å; L353-K357 WeakPolarHBondContact O-CA 3.44Å; D354-K357 WeakPolarHBondContact O-CE 3.36Å; D354-K357 PolarHBondContact O-NZ 3.27Å; I355-K357 VanDerWaalsContact C-N 3.31Å
358	L	95.9	Very high	97.5	Very high	43 Å²	43	40.8 Å²	40.8	23%	0.225	19%	0.194	C	C	.	.			trans	-73.3	152.7	168.7	-62.3	179.7	0	0	0	110.5	F325 Y352 L353 E356 A363 L366	F325-L358 HydrophobicContact CB-CD1 4.21Å; F325-L358 HydrophobicContact CD2-CD1 4.32Å; F325-L358 HydrophobicContact CG-CD1 4.48Å; Y352-L358 HydrophobicContact CD1-CD1 3.83Å; Y352-L358 HydrophobicContact CD2-CD1 4.48Å; Y352-L358 HydrophobicContact CE1-CD1 4.46Å; Y352-L358 HydrophobicContact CG-CD1 3.85Å; Y352-L358 PolarHBondContact O-N 3.36Å; L353-L358 WeakPolarHBondContact CD2-O 3.25Å; E356-L358 VanDerWaalsContact C-N 3.29Å; E356-L358 PolarHBondContact O-N 3.28Å; L358-A363 HydrophobicContact CB-CB 4.3Å; L358-L366 HydrophobicContact CD1-CD1 4.02Å
359	D	96.4	Very high	97.5	Very high	87 Å²	87	45.6 Å²	45.6	47%	0.465	21%	0.212	S	C	.	.			trans	-72.5	160.9	168.6	70.9	91.8	0	0	0	111.2	E361 T362 A363	D359-E361 PolarHBondContact O-N 3.48Å; D359-E361 PolarHBondContact OD1-N 2.68Å; D359-T362 VanDerWaalsContact CG-OG1 3.29Å; D359-T362 PolarHBondContact OD1-N 3.17Å; D359-T362 PolarHBondContact OD1-OG1 3.38Å; D359-T362 WeakPolarHBondContact OD2-CB 3.26Å; D359-T362 PolarHBondContact OD2-OG1 2.96Å; D359-A363 VanDerWaalsContact O-CB 3.27Å; D359-A363 WeakPolarHBondContact O-CB 3.42Å; D359-A363 PolarHBondContact O-N 3.43Å
360	W	97.4	Very high	97.5	Very high	34 Å²	34	45.6 Å²	45.6	13%	0.129	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-45.9	-174.5	-179.2	-89	0	0	0	113.7	M349 L353 A363 W364 I401 Q404 I405	M349-W360 HydrophobicContact CE-CD2 3.92Å; M349-W360 HydrophobicContact CE-CE3 3.81Å; M349-W360 HydrophobicContact CE-CH2 4.03Å; M349-W360 HydrophobicContact CE-CZ2 4.13Å; M349-W360 HydrophobicContact CE-CZ3 3.88Å; L353-W360 HydrophobicContact CD1-CE3 3.47Å; L353-W360 VanDerWaalsContact CD1-CE3 3.47Å; L353-W360 HydrophobicContact CD1-CZ3 3.54Å; L353-W360 HydrophobicContact CD2-CB 4.39Å; L353-W360 HydrophobicContact CD2-CE3 4.15Å; L353-W360 HydrophobicContact CG-CE3 4.44Å; W360-A363 PolarHBondContact O-N 3.45Å; W360-W364 VanDerWaalsContact O-CB 3.25Å; W360-W364 WeakPolarHBondContact O-CB 3.31Å; W360-W364 PolarHBondContact O-N 2.91Å; W360-I401 HydrophobicContact CH2-CG2 4.13Å; W360-I401 HydrophobicContact CZ3-CG2 4.39Å; W360-Q404 HydrophobicContact CD2-CG 4.37Å; W360-Q404 VanDerWaalsContact CD2-NE2 3.35Å; W360-Q404 VanDerWaalsContact CE3-CD 3.44Å; W360-Q404 HydrophobicContact CE3-CG 4.29Å; W360-Q404 VanDerWaalsContact CE3-NE2 3.31Å; W360-Q404 HydrophobicContact CH2-CB 3.57Å; W360-Q404 HydrophobicContact CH2-CG 3.51Å; W360-Q404 HydrophobicContact CZ2-CB 3.98Å; W360-Q404 HydrophobicContact CZ2-CG 3.57Å; W360-Q404 HydrophobicContact CZ3-CB 4.12Å; W360-Q404 HydrophobicContact CZ3-CG 3.88Å; W360-I405 HydrophobicContact CH2-CG1 3.99Å; W360-I405 HydrophobicContact CZ2-CG1 3.92Å
361	E	97.9	Very high	97.5	Very high	130 Å²	130	44.3 Å²	44.3	61%	0.607	21%	0.208	S	C	*	.	H	α-helix	trans	-67.1	-44.3	-175.3	-63.3	-55.9	142.2	0	0	110.9	D359 W364 D365	D359-E361 PolarHBondContact O-N 3.48Å; D359-E361 PolarHBondContact OD1-N 2.68Å; E361-W364 PolarHBondContact O-N 2.82Å; E361-D365 WeakPolarHBondContact O-CB 3.33Å; E361-D365 PolarHBondContact O-N 2.75Å
362	T	98.1	Very high	97.5	Very high	47 Å²	47	44.1 Å²	44.1	29%	0.288	21%	0.207	S	C	.	.	H	α-helix	trans	-62.1	-47.6	174.7	-58.2	0	0	0	0	111.3	D359 W364 D365 L366	D359-T362 VanDerWaalsContact CG-OG1 3.29Å; D359-T362 PolarHBondContact OD1-N 3.17Å; D359-T362 PolarHBondContact OD1-OG1 3.38Å; D359-T362 WeakPolarHBondContact OD2-CB 3.26Å; D359-T362 PolarHBondContact OD2-OG1 2.96Å; T362-W364 VanDerWaalsContact C-N 3.31Å; T362-W364 PolarHBondContact O-N 3.18Å; T362-D365 PolarHBondContact O-N 3.48Å; T362-L366 HydrophobicContact CG2-CD1 3.99Å; T362-L366 VanDerWaalsContact O-CG 3.24Å; T362-L366 WeakPolarHBondContact O-CG 3.36Å; T362-L366 PolarHBondContact O-N 3.09Å; T362-L366 VanDerWaalsContact O-N 3.1Å
363	A	98.4	Very high	97.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-41.2	179.3	0	0	0	0	0	112.1	M349 Y352 L353 L358 D359 W360 T367	M349-A363 HydrophobicContact CE-CB 3.86Å; M349-A363 HydrophobicContact SD-CB 3.88Å; M349-A363 VanDerWaalsContact SD-O 3.41Å; Y352-A363 HydrophobicContact CD2-CB 4.06Å; Y352-A363 HydrophobicContact CG-CB 4.32Å; L353-A363 HydrophobicContact CD2-CB 4.11Å; L353-A363 HydrophobicContact CG-CB 4.43Å; L358-A363 HydrophobicContact CB-CB 4.3Å; D359-A363 VanDerWaalsContact O-CB 3.27Å; D359-A363 WeakPolarHBondContact O-CB 3.42Å; D359-A363 PolarHBondContact O-N 3.43Å; W360-A363 PolarHBondContact O-N 3.45Å; A363-T367 VanDerWaalsContact O-CB 3.29Å; A363-T367 WeakPolarHBondContact O-CB 3.26Å; A363-T367 PolarHBondContact O-N 3.31Å; A363-T367 PolarHBondContact O-OG1 2.84Å
364	W	98.6	Very high	97.6	Very high	37 Å²	37	42.9 Å²	42.9	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-70.2	-43.1	-179.2	-175.3	-122.8	0	0	0	112.4	I345 M349 W360 E361 T362 T367 R368 I405 V446 G447	I345-W364 HydrophobicContact CG2-CH2 4.29Å; I345-W364 HydrophobicContact CG2-CZ3 3.89Å; M349-W364 HydrophobicContact CE-CB 3.99Å; M349-W364 HydrophobicContact CE-CE3 4.2Å; M349-W364 HydrophobicContact CG-CE3 4.1Å; M349-W364 HydrophobicContact CG-CZ3 4.41Å; M349-W364 VanDerWaalsContact SD-CA 3.59Å; M349-W364 HydrophobicContact SD-CB 4.22Å; M349-W364 HydrophobicContact SD-CE3 3.78Å; W360-W364 VanDerWaalsContact O-CB 3.25Å; W360-W364 WeakPolarHBondContact O-CB 3.31Å; W360-W364 PolarHBondContact O-N 2.91Å; E361-W364 PolarHBondContact O-N 2.82Å; T362-W364 VanDerWaalsContact C-N 3.31Å; T362-W364 PolarHBondContact O-N 3.18Å; W364-T367 HydrophobicContact CE3-CG2 4.3Å; W364-T367 HydrophobicContact CZ3-CG2 4.24Å; W364-T367 PolarHBondContact O-N 3.1Å; W364-R368 HydrophobicContact CD2-CG 4.13Å; W364-R368 HydrophobicContact CH2-CG 4.41Å; W364-R368 HydrophobicContact CZ2-CG 3.89Å; W364-R368 WeakPolarHBondContact O-CG 3.11Å; W364-R368 PolarHBondContact O-N 2.99Å; W364-I405 HydrophobicContact CE3-CD1 4.43Å; W364-I405 HydrophobicContact CE3-CG1 4.31Å; W364-I405 HydrophobicContact CH2-CD1 4.08Å; W364-I405 HydrophobicContact CH2-CG1 4.07Å; W364-I405 HydrophobicContact CH2-CG2 3.69Å; W364-I405 HydrophobicContact CZ2-CG2 4.11Å; W364-I405 HydrophobicContact CZ3-CD1 3.65Å; W364-I405 HydrophobicContact CZ3-CG1 3.82Å; W364-I405 HydrophobicContact CZ3-CG2 4.3Å; W364-V446 HydrophobicContact CH2-CG1 4.24Å; W364-V446 HydrophobicContact CZ2-CG1 3.87Å; W364-G447 VanDerWaalsContact CH2-CA 3.47Å
365	D	98.5	Very high	97.6	Very high	60 Å²	60	42 Å²	42	32%	0.321	20%	0.196	S	C	.	.	H	α-helix	trans	-58.5	-49.5	174.7	175.9	68.3	0	0	0	111.8	E361 T362 T367 R368 R369	E361-D365 WeakPolarHBondContact O-CB 3.33Å; E361-D365 PolarHBondContact O-N 2.75Å; T362-D365 PolarHBondContact O-N 3.48Å; D365-T367 VanDerWaalsContact C-N 3.29Å; D365-T367 PolarHBondContact O-N 2.73Å; D365-R368 PolarHBondContact O-N 2.91Å; D365-R369 WeakPolarHBondContact O-CG 3.3Å; D365-R369 PolarHBondContact O-N 3.48Å; D365-R369 IonicContact OD1-NE 3.41Å; D365-R369 IonicContact OD2-CZ 3.51Å; D365-R369 IonicContact OD2-NE 2.76Å; D365-R369 PolarHBondContact OD2-NE 2.95Å; D365-R369 IonicContact OD2-NH2 3.53Å; D365-R369 PolarHBondContact OD2-NH2 2.87Å
366	L	98.6	Very high	97.5	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-40.7	177.5	-66.9	172.7	0	0	0	111.6	F325 P329 Y352 L358 T362 T370	F325-L366 HydrophobicContact CB-CD1 3.87Å; F325-L366 WeakPolarHBondContact O-CD2 3.47Å; P329-L366 HydrophobicContact CG-CD2 3.86Å; Y352-L366 HydrophobicContact CE2-CB 3.97Å; L358-L366 HydrophobicContact CD1-CD1 4.02Å; T362-L366 HydrophobicContact CG2-CD1 3.99Å; T362-L366 VanDerWaalsContact O-CG 3.24Å; T362-L366 WeakPolarHBondContact O-CG 3.36Å; T362-L366 PolarHBondContact O-N 3.09Å; T362-L366 VanDerWaalsContact O-N 3.1Å; L366-T370 WeakPolarHBondContact O-CB 3.49Å; L366-T370 PolarHBondContact O-N 2.93Å; L366-T370 PolarHBondContact O-OG1 3.17Å
367	T	98.8	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-52.9	177.7	-65.8	0	0	0	0	111	I345 L348 M349 A363 W364 D365 R369 T370 F371	I345-T367 HydrophobicContact CG2-CG2 4.11Å; L348-T367 HydrophobicContact CD2-CG2 4.44Å; M349-T367 HydrophobicContact CG-CG2 4.21Å; M349-T367 HydrophobicContact SD-CG2 4.35Å; M349-T367 PolarHBondContact SD-OG1 3.25Å; A363-T367 VanDerWaalsContact O-CB 3.29Å; A363-T367 WeakPolarHBondContact O-CB 3.26Å; A363-T367 PolarHBondContact O-N 3.31Å; A363-T367 PolarHBondContact O-OG1 2.84Å; W364-T367 HydrophobicContact CE3-CG2 4.3Å; W364-T367 HydrophobicContact CZ3-CG2 4.24Å; W364-T367 PolarHBondContact O-N 3.1Å; D365-T367 VanDerWaalsContact C-N 3.29Å; D365-T367 PolarHBondContact O-N 2.73Å; T367-R369 VanDerWaalsContact C-N 3.34Å; T367-R369 PolarHBondContact O-N 3.11Å; T367-T370 WeakPolarHBondContact O-CB 3.39Å; T367-T370 PolarHBondContact O-N 2.81Å; T367-F371 HydrophobicContact CG2-CD2 3.78Å; T367-F371 HydrophobicContact CG2-CE2 3.88Å; T367-F371 WeakPolarHBondContact O-CD2 3.4Å; T367-F371 PolarHBondContact O-N 3.21Å
368	R	98.3	Very high	96.6	Very high	76 Å²	76	33 Å²	33	29%	0.287	16%	0.155	S	C	.	.	H	α-helix	trans	-59.8	-43.1	-179.3	-68	-159.8	-46.7	147.5	10.9	112.6	W364 D365 T370 G447 H449 E474	W364-R368 HydrophobicContact CD2-CG 4.13Å; W364-R368 HydrophobicContact CH2-CG 4.41Å; W364-R368 HydrophobicContact CZ2-CG 3.89Å; W364-R368 WeakPolarHBondContact O-CG 3.11Å; W364-R368 PolarHBondContact O-N 2.99Å; D365-R368 PolarHBondContact O-N 2.91Å; R368-T370 PolarHBondContact O-N 2.68Å; R368-G447 WeakPolarHBondContact CA-O 3.31Å; R368-H449 WeakPolarHBondContact O-CB 3.4Å; R368-H449 PolarHBondContact O-N 3.44Å; R368-H449 VanDerWaalsContact O-N 3.08Å; R368-H449 PolarHBondContact O-ND1 3.01Å; R368-H449 VanDerWaalsContact O-ND1 3.16Å; R368-E474 IonicContact NH1-OE1 4Å
369	R	98.5	Very high	96	Very high	100 Å²	100	31.9 Å²	31.9	38%	0.377	15%	0.149	S	C	.	.	H	α-helix	trans	-68.4	-17.3	178.5	-69	-167.3	-71.2	135.7	-4.3	113.7	P329 D365 T367 H449	P329-R369 HydrophobicContact CB-CB 3.74Å; P329-R369 HydrophobicContact CG-CB 3.86Å; D365-R369 WeakPolarHBondContact O-CG 3.3Å; D365-R369 PolarHBondContact O-N 3.48Å; D365-R369 IonicContact OD1-NE 3.41Å; D365-R369 IonicContact OD2-CZ 3.51Å; D365-R369 IonicContact OD2-NE 2.76Å; D365-R369 PolarHBondContact OD2-NE 2.95Å; D365-R369 IonicContact OD2-NH2 3.53Å; D365-R369 PolarHBondContact OD2-NH2 2.87Å; T367-R369 VanDerWaalsContact C-N 3.34Å; T367-R369 PolarHBondContact O-N 3.11Å; R369-H449 PolarHBondContact O-ND1 3.35Å
370	T	98.8	Very high	95.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-87.7	-38.6	179.6	-60.3	0	0	0	0	112.5	F328 V332 I334 L366 T367 R368	F328-T370 HydrophobicContact CD1-CG2 4.25Å; F328-T370 HydrophobicContact CE1-CG2 3.83Å; V332-T370 HydrophobicContact CG1-CG2 3.94Å; I334-T370 HydrophobicContact CB-CG2 4.28Å; I334-T370 HydrophobicContact CD1-CG2 3.78Å; I334-T370 HydrophobicContact CG1-CG2 3.77Å; I334-T370 PolarHBondContact N-O 2.81Å; L366-T370 WeakPolarHBondContact O-CB 3.49Å; L366-T370 PolarHBondContact O-N 2.93Å; L366-T370 PolarHBondContact O-OG1 3.17Å; T367-T370 WeakPolarHBondContact O-CB 3.39Å; T367-T370 PolarHBondContact O-N 2.81Å; R368-T370 PolarHBondContact O-N 2.68Å
371	F	98.8	Very high	93.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.4	-170.2	-74	-70.2	0	0	0	113.8	L305 I334 L336 A344 I345 L348 T367 S448 H449	L305-F371 HydrophobicContact CD2-CZ 4.37Å; I334-F371 HydrophobicContact CB-CD1 3.68Å; I334-F371 HydrophobicContact CB-CE1 3.67Å; I334-F371 HydrophobicContact CD1-CE1 3.81Å; I334-F371 HydrophobicContact CD1-CZ 4Å; I334-F371 HydrophobicContact CG1-CE1 4.32Å; I334-F371 HydrophobicContact CG2-CD1 3.77Å; I334-F371 HydrophobicContact CG2-CE1 3.49Å; I334-F371 VanDerWaalsContact CG2-CE1 3.49Å; I334-F371 WeakPolarHBondContact O-CA 3.48Å; L336-F371 HydrophobicContact CD1-CD1 4.21Å; L336-F371 HydrophobicContact CD2-CD1 3.86Å; L336-F371 HydrophobicContact CD2-CE1 3.96Å; L336-F371 HydrophobicContact CG-CD1 4.07Å; A344-F371 HydrophobicContact CB-CE1 3.55Å; A344-F371 HydrophobicContact CB-CZ 3.62Å; A344-F371 WeakPolarHBondContact O-CZ 3.36Å; I345-F371 HydrophobicContact CG1-CD2 3.91Å; I345-F371 HydrophobicContact CG1-CE2 4.18Å; I345-F371 HydrophobicContact CG1-CG 4.15Å; L348-F371 HydrophobicContact CB-CE2 3.95Å; L348-F371 HydrophobicContact CB-CZ 4.21Å; L348-F371 HydrophobicContact CD2-CD2 4.36Å; L348-F371 HydrophobicContact CD2-CE2 3.49Å; L348-F371 VanDerWaalsContact CD2-CE2 3.49Å; L348-F371 HydrophobicContact CD2-CZ 4.03Å; L348-F371 HydrophobicContact CG-CE2 4.37Å; T367-F371 HydrophobicContact CG2-CD2 3.78Å; T367-F371 HydrophobicContact CG2-CE2 3.88Å; T367-F371 WeakPolarHBondContact O-CD2 3.4Å; T367-F371 PolarHBondContact O-N 3.21Å; F371-S448 CarbonylContact O-C 3.59Å; F371-S448 VanDerWaalsContact O-CA 3.27Å; F371-S448 WeakPolarHBondContact O-CA 3.32Å; F371-S448 WeakPolarHBondContact O-CB 3.34Å; F371-H449 PolarHBondContact O-CE1 3.19Å; F371-H449 VanDerWaalsContact O-CE1 3.31Å; F371-H449 PolarHBondContact O-N 3.48Å; F371-H449 PolarHBondContact O-ND1 3.35Å
372	A	98.9	Very high	93.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.6	165.5	0	0	0	0	0	110.2	I334 Q335 L336 A450 V823	I334-A372 PolarHBondContact O-N 3.02Å; Q335-A372 PolarHBondContact NE2-O 3.32Å; L336-A372 PolarHBondContact N-O 3.36Å; A372-A450 WeakPolarHBondContact CA-O 3.48Å; A372-A450 HydrophobicContact CB-CB 4.13Å; A372-V823 HydrophobicContact CB-CG1 3.41Å; A372-V823 VanDerWaalsContact CB-CG1 3.41Å
373	Y	98.7	Very high	92.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.3	-173.5	163.7	-128.2	0	0	0	111.9	L336 T339 N375 C444 I445 A450 V451 N452	L336-Y373 HydrophobicContact CB-CD2 4.49Å; T339-Y373 HydrophobicContact CG2-CE2 3.98Å; Y373-N375 HydrophobicContact CE1-CB 4.07Å; Y373-N375 HydrophobicContact CE2-CB 4.38Å; Y373-N375 WeakPolarHBondContact OH-CB 3.42Å; Y373-N375 PolarHBondContact OH-ND2 2.98Å; Y373-C444 HydrophobicContact CD1-CB 3.64Å; Y373-C444 HydrophobicContact CD2-CB 3.82Å; Y373-C444 HydrophobicContact CE1-CB 3.99Å; Y373-C444 HydrophobicContact CE2-CB 4.17Å; Y373-C444 HydrophobicContact CG-CB 3.56Å; Y373-I445 HydrophobicContact CD1-CG1 4.18Å; Y373-I445 HydrophobicContact CE1-CG1 4.1Å; Y373-A450 PolarHBondContact N-O 3.01Å; Y373-V451 HydrophobicContact CD1-CB 4.48Å; Y373-V451 HydrophobicContact CD1-CG1 3.79Å; Y373-V451 HydrophobicContact CD1-CG2 4.12Å; Y373-V451 HydrophobicContact CE1-CG1 4.18Å; Y373-V451 CarbonylContact O-C 3.53Å; Y373-V451 VanDerWaalsContact O-CA 3.28Å; Y373-V451 WeakPolarHBondContact O-CA 3.36Å; Y373-N452 PolarHBondContact O-N 2.96Å; Y373-N452 PolarHBondContact O-OD1 3.19Å
374	T	98.5	Very high	92.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.9	170.4	-58.2	0	0	0	0	110.4	Q335 L336 D338 H376 N452 V454 Y819	Q335-T374 PolarHBondContact NE2-OG1 3.38Å; L336-T374 PolarHBondContact O-N 3.41Å; D338-T374 VanDerWaalsContact CA-O 3.25Å; D338-T374 WeakPolarHBondContact CA-O 3.48Å; D338-T374 PolarHBondContact N-O 3.36Å; T374-H376 VanDerWaalsContact CG2-NE2 3.3Å; T374-H376 WeakPolarHBondContact CG2-NE2 3.47Å; T374-N452 WeakPolarHBondContact CA-O 3.46Å; T374-N452 WeakPolarHBondContact CG2-ND2 3.28Å; T374-N452 PolarHBondContact OG1-OD1 3.47Å; T374-V454 HydrophobicContact CG2-CG1 3.54Å; T374-Y819 WeakPolarHBondContact CG2-OH 3.42Å; T374-Y819 PolarHBondContact OG1-OH 2.79Å
375	N	96.1	Very high	92	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.			trans	-93.6	135.9	173.7	174.4	-98.8	0	0	0	110.8	Y373 T377 N452 H458	Y373-N375 HydrophobicContact CE1-CB 4.07Å; Y373-N375 HydrophobicContact CE2-CB 4.38Å; Y373-N375 WeakPolarHBondContact OH-CB 3.42Å; Y373-N375 PolarHBondContact OH-ND2 2.98Å; N375-T377 PolarHBondContact ND2-O 2.88Å; N375-T377 PolarHBondContact OD1-N 3.37Å; N375-T377 PolarHBondContact OD1-O 3.47Å; N375-N452 PolarHBondContact N-O 3.12Å; N375-H458 PolarHBondContact O-CE1 3.38Å; N375-H458 PolarHBondContact OD1-CE1 3.24Å; N375-H458 PolarHBondContact OD1-NE2 3.33Å
376	H	92.6	Very high	91.9	Very high	29 Å²	29	31.1 Å²	31.1	13%	0.134	15%	0.151	C	C	.	.			trans	-117.5	5.1	-178.7	-70.1	-86.2	0	0	0	114.2	L137 L140 N337 T374 A672	L137-H376 HydrophobicContact CD1-CB 4.38Å; L140-H376 VanDerWaalsContact CD2-CE1 3.47Å; L140-H376 WeakPolarHBondContact CD2-CE1 3.44Å; N337-H376 PolarHBondContact OD1-NE2 3.42Å; T374-H376 VanDerWaalsContact CG2-NE2 3.3Å; T374-H376 WeakPolarHBondContact CG2-NE2 3.47Å; H376-A672 VanDerWaalsContact O-CB 3.27Å; H376-A672 WeakPolarHBondContact O-CB 3.25Å
377	T	87.4	Confident	91.8	Very high	19 Å²	19	32.5 Å²	32.5	12%	0.117	16%	0.161	C	C	.	.			trans	-154	143.5	-175.1	-172.4	0	0	0	0	112.2	N375 L379 A382 L383	N375-T377 PolarHBondContact ND2-O 2.88Å; N375-T377 PolarHBondContact OD1-N 3.37Å; N375-T377 PolarHBondContact OD1-O 3.47Å; T377-L379 PolarHBondContact OG1-N 3.22Å; T377-A382 HydrophobicContact CG2-CB 3.74Å; T377-A382 WeakPolarHBondContact OG1-CB 3.49Å; T377-L383 HydrophobicContact CG2-CD2 4.03Å
378	I	84.3	Confident	91.7	Very high	27 Å²	27	33 Å²	33	14%	0.138	16%	0.163	C	C	.	.			trans	-108.5	-8.3	171.5	59.3	167.1	0	0	0	112.4	P380 I461 I462 V466 G669	I378-P380 WeakPolarHBondContact O-CD 3.11Å; I378-I461 HydrophobicContact CD1-CD1 4.39Å; I378-I461 HydrophobicContact CD1-CG2 4.16Å; I378-I461 HydrophobicContact CG2-CG2 4.11Å; I378-I462 HydrophobicContact CG2-CG2 4.07Å; I378-V466 HydrophobicContact CB-CG2 4.1Å; I378-V466 HydrophobicContact CG2-CG2 4.06Å; I378-G669 WeakPolarHBondContact CD1-O 3.02Å
379	L	82	Confident	91.6	Very high	20 Å²	20	36.6 Å²	36.6	11%	0.105	18%	0.183	C	C	.	.			trans	-71.9	121.5	-179.2	-68.4	178.5	0	0	0	109.7	T377 E381 A382 Y572	T377-L379 PolarHBondContact OG1-N 3.22Å; L379-E381 HydrophobicContact CB-CG 4.29Å; L379-E381 PolarHBondContact O-N 3.4Å; L379-E381 VanDerWaalsContact O-N 3.17Å; L379-A382 HydrophobicContact CB-CB 4.28Å; L379-A382 PolarHBondContact O-N 3.44Å; L379-Y572 HydrophobicContact CD1-CD1 3.9Å; L379-Y572 HydrophobicContact CD1-CE1 4.12Å
380	P	77.3	Confident	91.5	Very high	79 Å²	79	31.9 Å²	31.9	51%	0.513	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-56.7	-34.2	-177.2	-26.9	34.9	0	0	0	113.7	I378 A382 L383	I378-P380 WeakPolarHBondContact O-CD 3.11Å; P380-A382 PolarHBondContact O-N 3.45Å; P380-L383 PolarHBondContact O-N 3.15Å
381	E	74	Confident	91.5	Very high	94 Å²	94	31.9 Å²	31.9	44%	0.439	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-67.7	-17.4	177.7	62.8	-96.8	-135.2	0	0	114.4	L379 R769	L379-E381 HydrophobicContact CB-CG 4.29Å; L379-E381 PolarHBondContact O-N 3.4Å; L379-E381 VanDerWaalsContact O-N 3.17Å; E381-R769 VanDerWaalsContact CD-NH2 3.34Å; E381-R769 IonicContact OE1-CZ 2.72Å; E381-R769 VanDerWaalsContact OE1-CZ 3.26Å; E381-R769 IonicContact OE1-NH1 3.47Å; E381-R769 PolarHBondContact OE1-NH1 2.89Å; E381-R769 IonicContact OE1-NH2 3.12Å; E381-R769 PolarHBondContact OE1-NH2 3.39Å; E381-R769 IonicContact OE2-CZ 3.44Å; E381-R769 IonicContact OE2-NH1 3.41Å; E381-R769 IonicContact OE2-NH2 3.36Å; E381-R769 PolarHBondContact OE2-NH2 3.13Å
382	A	81	Confident	91.4	Very high	48 Å²	48	37.4 Å²	37.4	40%	0.397	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-99	-6	-179.1	0	0	0	0	0	113	T377 L379 P380	T377-A382 HydrophobicContact CG2-CB 3.74Å; T377-A382 WeakPolarHBondContact OG1-CB 3.49Å; L379-A382 HydrophobicContact CB-CB 4.28Å; L379-A382 PolarHBondContact O-N 3.44Å; P380-A382 PolarHBondContact O-N 3.45Å
383	L	86.6	Confident	91.3	Very high	17 Å²	17	42.4 Å²	42.4	9%	0.089	21%	0.213	C	C	.	.	S	Bend	trans	-83.6	123.5	175.1	-65.4	175.1	0	0	0	110.1	T377 P380 R385 A441	T377-L383 HydrophobicContact CG2-CD2 4.03Å; P380-L383 PolarHBondContact O-N 3.15Å; L383-R385 PolarHBondContact O-N 3.35Å; L383-A441 HydrophobicContact CD2-CB 4.24Å
384	E	92.1	Very high	91.3	Very high	30 Å²	30	42.4 Å²	42.4	14%	0.14	21%	0.213	C	C	.	.			trans	-68.3	122.6	-175.5	-65.5	-170.8	133	0	0	112.3	E297 T339 H340 M440	E297-E384 VanDerWaalsContact OE1-OE1 3.07Å; T339-E384 VanDerWaalsContact C-OE2 3.24Å; T339-E384 PolarHBondContact OG1-OE2 3.21Å; H340-E384 WeakPolarHBondContact CA-OE2 3.49Å; H340-E384 IonicContact CD2-OE1 3.28Å; H340-E384 PolarHBondContact CD2-OE1 3.06Å; H340-E384 IonicContact CD2-OE2 2.66Å; H340-E384 PolarHBondContact N-OE2 3.47Å; E384-M440 HydrophobicContact CB-CB 4.15Å; E384-M440 HydrophobicContact CB-CG 3.97Å; E384-M440 WeakPolarHBondContact O-CG 3.41Å; E384-M440 PolarHBondContact O-N 2.99Å; E384-M440 VanDerWaalsContact O-N 3.07Å
385	R	93.5	Very high	91.3	Very high	93 Å²	93	42.4 Å²	42.4	35%	0.351	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	92	179	-63.1	172.9	-173.8	-138.1	1.8	109.7	L383 E431 R437 V438	L383-R385 PolarHBondContact O-N 3.35Å; R385-E431 WeakPolarHBondContact CD-OE2 3.49Å; R385-E431 IonicContact CZ-OE1 2.81Å; R385-E431 IonicContact CZ-OE2 3.83Å; R385-E431 IonicContact NE-OE1 3.33Å; R385-E431 PolarHBondContact NE-OE1 2.83Å; R385-E431 IonicContact NE-OE2 2.87Å; R385-E431 IonicContact NH1-OE1 3.73Å; R385-E431 PolarHBondContact NH1-OE1 3.37Å; R385-E431 IonicContact NH1-OE2 3.5Å; R385-E431 PolarHBondContact NH1-OE2 2.84Å; R385-E431 IonicContact NH2-OE1 3.87Å; R385-R437 HydrophobicContact CB-CB 4.19Å; R385-R437 HydrophobicContact CB-CG 4.47Å; R385-V438 WeakPolarHBondContact CA-O 3.29Å
386	W	95.7	Very high	91.4	Very high	17 Å²	17	43.3 Å²	43.3	6%	0.064	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.1	-175.5	-73.2	119.4	0	0	0	111.5	K290 R293 L294 E297 V388 L390 L391 R437 V438	K290-W386 HydrophobicContact CB-CZ3 3.92Å; K290-W386 HydrophobicContact CG-CZ3 4.33Å; K290-W386 WeakPolarHBondContact O-CZ3 3.44Å; R293-W386 HydrophobicContact CB-CH2 3.93Å; R293-W386 HydrophobicContact CB-CZ2 4.49Å; R293-W386 HydrophobicContact CG-CH2 3.72Å; R293-W386 HydrophobicContact CG-CZ2 3.88Å; L294-W386 HydrophobicContact CB-CH2 4.31Å; L294-W386 HydrophobicContact CB-CZ2 4.25Å; L294-W386 HydrophobicContact CB-CZ3 4.45Å; L294-W386 HydrophobicContact CD1-CD2 4.33Å; L294-W386 HydrophobicContact CD1-CG 4.37Å; E297-W386 PolarHBondContact OE2-NE1 2.85Å; E297-W386 VanDerWaalsContact OE2-NE1 3.12Å; W386-V388 PolarHBondContact O-N 3.44Å; W386-L390 HydrophobicContact CE3-CD2 3.78Å; W386-L390 HydrophobicContact CZ3-CD2 4.05Å; W386-L391 HydrophobicContact CB-CD1 3.94Å; W386-L391 HydrophobicContact CB-CG 4.32Å; W386-R437 CarbonylContact O-C 3.49Å; W386-R437 WeakPolarHBondContact O-CA 3.48Å; W386-V438 PolarHBondContact N-O 2.85Å; W386-V438 VanDerWaalsContact N-O 3.09Å; W386-V438 PolarHBondContact O-N 2.83Å
387	P	96.3	Very high	91.7	Very high	32 Å²	32	42.6 Å²	42.6	21%	0.208	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	133.7	173.2	-24.1	34.4	0	0	0	111.3	E389 L390 L391	P387-E389 VanDerWaalsContact C-N 3.27Å; P387-E389 PolarHBondContact O-N 3.06Å; P387-L390 HydrophobicContact CB-CB 4.3Å; P387-L390 WeakPolarHBondContact O-CB 3.36Å; P387-L390 PolarHBondContact O-N 2.87Å; P387-L390 VanDerWaalsContact O-N 3.09Å; P387-L391 PolarHBondContact O-N 3.11Å
388	V	97.6	Very high	92.2	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.055	21%	0.21	C	C	.	.	H	α-helix	trans	-57.1	-42.2	179.3	162.8	0	0	0	0	111.2	W386 L390 L391 E392 L399 Y403 K436 V438	W386-V388 PolarHBondContact O-N 3.44Å; V388-L390 PolarHBondContact O-N 2.87Å; V388-L391 PolarHBondContact O-N 3.1Å; V388-L391 VanDerWaalsContact O-N 3.13Å; V388-E392 WeakPolarHBondContact O-CB 3.19Å; V388-E392 PolarHBondContact O-N 3.14Å; V388-L399 HydrophobicContact CG1-CD1 4.38Å; V388-L399 HydrophobicContact CG1-CD2 3.99Å; V388-Y403 WeakPolarHBondContact CG1-OH 3.35Å; V388-K436 HydrophobicContact CB-CB 3.95Å; V388-K436 HydrophobicContact CG2-CB 3.72Å; V388-K436 PolarHBondContact N-O 2.79Å; V388-V438 HydrophobicContact CG2-CG2 4.07Å
389	E	95.9	Very high	92.9	Very high	152 Å²	152	40.8 Å²	40.8	71%	0.71	21%	0.205	S	C	*	.	H	α-helix	trans	-58.6	-35.1	178.8	-64	175.2	-175.6	0	0	112.7	P387 K393	P387-E389 VanDerWaalsContact C-N 3.27Å; P387-E389 PolarHBondContact O-N 3.06Å; E389-K393 WeakPolarHBondContact O-CB 3.49Å; E389-K393 PolarHBondContact O-N 3.13Å; E389-K393 VanDerWaalsContact O-N 3.08Å
390	L	96.1	Very high	93.7	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-69.7	-44.7	177.5	179.6	64	0	0	0	110.8	F287 K290 E291 L294 W386 P387 V388 K393 L394	F287-L390 HydrophobicContact CE2-CD1 4.11Å; F287-L390 HydrophobicContact CZ-CD1 3.77Å; K290-L390 HydrophobicContact CB-CD2 4.42Å; E291-L390 HydrophobicContact CB-CD1 3.85Å; E291-L390 HydrophobicContact CG-CD1 4.01Å; L294-L390 HydrophobicContact CD2-CD2 3.99Å; L294-L390 HydrophobicContact CD2-CG 3.94Å; W386-L390 HydrophobicContact CE3-CD2 3.78Å; W386-L390 HydrophobicContact CZ3-CD2 4.05Å; P387-L390 HydrophobicContact CB-CB 4.3Å; P387-L390 WeakPolarHBondContact O-CB 3.36Å; P387-L390 PolarHBondContact O-N 2.87Å; P387-L390 VanDerWaalsContact O-N 3.09Å; V388-L390 PolarHBondContact O-N 2.87Å; L390-K393 PolarHBondContact O-N 2.94Å; L390-L394 VanDerWaalsContact O-CB 3.29Å; L390-L394 WeakPolarHBondContact O-CB 3.4Å; L390-L394 PolarHBondContact O-N 3.47Å
391	L	97.7	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-39.6	176	-80.6	165.4	0	0	0	111.9	L294 M343 W386 P387 V388 K393 L394 L395 L399 V438	L294-L391 HydrophobicContact CD1-CD2 4.27Å; L294-L391 HydrophobicContact CD2-CD2 3.8Å; L294-L391 HydrophobicContact CD2-CG 4.18Å; M343-L391 HydrophobicContact CE-CD2 4.25Å; M343-L391 HydrophobicContact SD-CD2 4.25Å; W386-L391 HydrophobicContact CB-CD1 3.94Å; W386-L391 HydrophobicContact CB-CG 4.32Å; P387-L391 PolarHBondContact O-N 3.11Å; V388-L391 PolarHBondContact O-N 3.1Å; V388-L391 VanDerWaalsContact O-N 3.13Å; L391-K393 VanDerWaalsContact C-N 3.33Å; L391-K393 PolarHBondContact O-N 2.99Å; L391-L394 PolarHBondContact O-N 2.76Å; L391-L395 HydrophobicContact CD2-CD1 4.28Å; L391-L395 CarbonylContact O-C 3.54Å; L391-L395 WeakPolarHBondContact O-CA 3.44Å; L391-L395 PolarHBondContact O-N 3.38Å; L391-L399 HydrophobicContact CB-CD1 4.37Å; L391-V438 HydrophobicContact CD1-CB 3.81Å; L391-V438 HydrophobicContact CD1-CG2 3.41Å; L391-V438 VanDerWaalsContact CD1-CG2 3.41Å
392	E	97.8	Very high	95.9	Very high	117 Å²	117	34.9 Å²	34.9	55%	0.547	17%	0.17	S	C	.	.	H	α-helix	trans	-60.5	-44.5	177.2	-173.4	173.2	-158.3	0	0	111.2	V388 P396 L399	V388-E392 WeakPolarHBondContact O-CB 3.19Å; V388-E392 PolarHBondContact O-N 3.14Å; E392-P396 WeakPolarHBondContact O-CB 2.95Å; E392-L399 HydrophobicContact CB-CD2 3.56Å; E392-L399 HydrophobicContact CG-CD2 4.12Å
393	K	97.1	Very high	96.8	Very high	106 Å²	106	36.8 Å²	36.8	46%	0.461	17%	0.168	S	C	.	.	H	α-helix	trans	-67.9	-47.1	177.2	-175.9	-173.6	176.2	-162.8	0	112.1	Y204 E291 E389 L390 L391	Y204-K393 WeakPolarHBondContact CA-O 3.21Å; Y204-K393 HydrophobicContact CD1-CG 4.21Å; Y204-K393 WeakPolarHBondContact CD1-O 2.95Å; Y204-K393 HydrophobicContact CE1-CG 4.31Å; E291-K393 IonicContact OE1-NZ 3.51Å; E291-K393 IonicContact OE2-NZ 2.79Å; E389-K393 WeakPolarHBondContact O-CB 3.49Å; E389-K393 PolarHBondContact O-N 3.13Å; E389-K393 VanDerWaalsContact O-N 3.08Å; L390-K393 PolarHBondContact O-N 2.94Å; L391-K393 VanDerWaalsContact C-N 3.33Å; L391-K393 PolarHBondContact O-N 2.99Å
394	L	97.6	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-87.9	-38	-167.9	-170.6	67.8	0	0	0	113.3	F203 Y204 L294 K295 L390 L391	F203-L394 HydrophobicContact CB-CD1 4.1Å; F203-L394 HydrophobicContact CD1-CD1 3.84Å; F203-L394 HydrophobicContact CD1-CD2 4.45Å; F203-L394 HydrophobicContact CD1-CG 4.1Å; F203-L394 HydrophobicContact CG-CD1 4.35Å; Y204-L394 WeakPolarHBondContact CA-O 3.45Å; Y204-L394 HydrophobicContact CD1-CD1 3.93Å; Y204-L394 HydrophobicContact CD2-CD1 4.49Å; Y204-L394 HydrophobicContact CE1-CD1 3.56Å; Y204-L394 HydrophobicContact CE2-CD1 4.19Å; Y204-L394 HydrophobicContact CG-CD1 4.38Å; Y204-L394 PolarHBondContact N-O 3.01Å; L294-L394 HydrophobicContact CB-CD2 4.17Å; L294-L394 HydrophobicContact CD2-CD2 3.79Å; L294-L394 HydrophobicContact CG-CD2 3.83Å; K295-L394 HydrophobicContact CD-CD1 4.38Å; K295-L394 HydrophobicContact CG-CD1 3.92Å; K295-L394 HydrophobicContact CG-CD2 3.76Å; K295-L394 HydrophobicContact CG-CG 4.45Å; L390-L394 VanDerWaalsContact O-CB 3.29Å; L390-L394 WeakPolarHBondContact O-CB 3.4Å; L390-L394 PolarHBondContact O-N 3.47Å; L391-L394 PolarHBondContact O-N 2.76Å
395	L	98.6	Very high	97.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.176	C	C	.	.			trans	-139.8	59.3	-169.9	-59.5	175.8	0	0	0	110.7	F203 W216 Y298 M343 L391 R397 H398 L399	F203-L395 HydrophobicContact CD1-CD2 4.38Å; W216-L395 HydrophobicContact CH2-CD2 3.88Å; W216-L395 HydrophobicContact CZ2-CD2 4.24Å; Y298-L395 HydrophobicContact CD1-CD1 4.38Å; Y298-L395 HydrophobicContact CD1-CD2 3.49Å; Y298-L395 VanDerWaalsContact CD1-CD2 3.49Å; Y298-L395 HydrophobicContact CD2-CD1 3.83Å; Y298-L395 HydrophobicContact CD2-CD2 4.04Å; Y298-L395 HydrophobicContact CE1-CD2 3.63Å; Y298-L395 HydrophobicContact CE2-CD2 4.18Å; Y298-L395 HydrophobicContact CG-CD1 3.73Å; Y298-L395 HydrophobicContact CG-CD2 3.69Å; Y298-L395 HydrophobicContact CG-CG 4.4Å; M343-L395 HydrophobicContact CE-CD1 3.72Å; L391-L395 HydrophobicContact CD2-CD1 4.28Å; L391-L395 CarbonylContact O-C 3.54Å; L391-L395 WeakPolarHBondContact O-CA 3.44Å; L391-L395 PolarHBondContact O-N 3.38Å; L395-R397 VanDerWaalsContact C-N 3.28Å; L395-R397 PolarHBondContact O-N 3.33Å; L395-H398 HydrophobicContact CB-CB 4.07Å; L395-H398 PolarHBondContact O-N 2.87Å; L395-H398 VanDerWaalsContact O-N 3.1Å; L395-L399 PolarHBondContact O-N 3.14Å; L395-L399 VanDerWaalsContact O-N 3.1Å
396	P	98.6	Very high	97.9	Very high	19 Å²	19	35 Å²	35	12%	0.123	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-36.5	-170.2	21.7	-33.4	0	0	0	113.1	V207 E392 L399 Q400	V207-P396 HydrophobicContact CG2-CB 4.26Å; E392-P396 WeakPolarHBondContact O-CB 2.95Å; P396-L399 PolarHBondContact O-N 3.02Å; P396-Q400 PolarHBondContact O-N 2.77Å
397	R	98.6	Very high	98	Very high	14 Å²	14	39.2 Å²	39.2	5%	0.053	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-40.3	178.5	-177.3	56.6	-175	138	7.5	112	V207 P214 W216 R350 D354 L395 L399 Q400 I401	V207-R397 HydrophobicContact CG2-CB 3.82Å; P214-R397 VanDerWaalsContact CG-CZ 3.43Å; P214-R397 VanDerWaalsContact CG-NH2 3.35Å; W216-R397 HydrophobicContact CB-CB 4.26Å; W216-R397 HydrophobicContact CD2-CB 4.46Å; W216-R397 HydrophobicContact CG-CB 4.21Å; R350-R397 HydrophobicContact CG-CG 3.88Å; D354-R397 IonicContact OD1-CZ 2.6Å; D354-R397 IonicContact OD1-NE 2.66Å; D354-R397 PolarHBondContact OD1-NE 3.19Å; D354-R397 IonicContact OD1-NH2 3.41Å; D354-R397 PolarHBondContact OD1-NH2 2.96Å; D354-R397 WeakPolarHBondContact OD2-CG 3.25Å; D354-R397 IonicContact OD2-CZ 3.33Å; D354-R397 IonicContact OD2-NE 2.77Å; D354-R397 PolarHBondContact OD2-NE 3.19Å; D354-R397 IonicContact OD2-NH2 2.85Å; L395-R397 VanDerWaalsContact C-N 3.28Å; L395-R397 PolarHBondContact O-N 3.33Å; R397-L399 VanDerWaalsContact C-N 3.32Å; R397-Q400 WeakPolarHBondContact O-CB 3.46Å; R397-Q400 PolarHBondContact O-N 2.75Å; R397-I401 HydrophobicContact CG-CD1 4.28Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 2.89Å; R397-I401 VanDerWaalsContact O-N 3.14Å
398	H	98.8	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-37.7	178.2	-56.1	73.8	0	0	0	111.4	W216 Y298 M343 P346 E347 L395 Q400 I401 I402	W216-H398 AromaticContact CH2-CE1 3.91Å; W216-H398 AromaticContact CZ3-CE1 3.65Å; Y298-H398 AromaticContact CE2-CD2 3.86Å; Y298-H398 AromaticContact CE2-CE1 3.56Å; Y298-H398 AromaticContact CE2-NE2 3.2Å; Y298-H398 WeakPolarHBondContact CE2-NE2 3.16Å; Y298-H398 AromaticContact CZ-CE1 3.52Å; Y298-H398 AromaticContact CZ-NE2 3.56Å; Y298-H398 PolarHBondContact OH-CE1 3.31Å; Y298-H398 PolarHBondContact OH-NE2 3.08Å; M343-H398 HydrophobicContact CE-CB 3.57Å; P346-H398 HydrophobicContact CB-CB 4.34Å; E347-H398 IonicContact OE2-CD2 3.75Å; E347-H398 IonicContact OE2-CE1 3.8Å; E347-H398 IonicContact OE2-NE2 2.58Å; E347-H398 PolarHBondContact OE2-NE2 3.02Å; L395-H398 HydrophobicContact CB-CB 4.07Å; L395-H398 PolarHBondContact O-N 2.87Å; L395-H398 VanDerWaalsContact O-N 3.1Å; H398-Q400 VanDerWaalsContact C-N 3.35Å; H398-Q400 PolarHBondContact O-N 3.08Å; H398-I401 PolarHBondContact O-N 3.31Å; H398-I402 WeakPolarHBondContact O-CB 3.24Å; H398-I402 VanDerWaalsContact O-CG1 3.25Å; H398-I402 WeakPolarHBondContact O-CG1 3.32Å; H398-I402 PolarHBondContact O-N 2.9Å
399	L	98.8	Very high	98.1	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-42.7	175	-178	62.2	0	0	0	111.9	V388 L391 E392 L395 P396 R397 I401 I402 Y403 V438	V388-L399 HydrophobicContact CG1-CD1 4.38Å; V388-L399 HydrophobicContact CG1-CD2 3.99Å; L391-L399 HydrophobicContact CB-CD1 4.37Å; E392-L399 HydrophobicContact CB-CD2 3.56Å; E392-L399 HydrophobicContact CG-CD2 4.12Å; L395-L399 PolarHBondContact O-N 3.14Å; L395-L399 VanDerWaalsContact O-N 3.1Å; P396-L399 PolarHBondContact O-N 3.02Å; R397-L399 VanDerWaalsContact C-N 3.32Å; L399-I401 VanDerWaalsContact C-N 3.34Å; L399-I401 PolarHBondContact O-N 3.02Å; L399-I402 PolarHBondContact O-N 2.95Å; L399-Y403 HydrophobicContact CD1-CD2 4.18Å; L399-Y403 HydrophobicContact CD1-CE1 4.47Å; L399-Y403 HydrophobicContact CD1-CE2 3.7Å; L399-Y403 HydrophobicContact CD2-CE2 3.9Å; L399-Y403 HydrophobicContact CG-CD2 3.94Å; L399-Y403 HydrophobicContact CG-CE2 3.52Å; L399-Y403 VanDerWaalsContact O-CD2 3.32Å; L399-Y403 WeakPolarHBondContact O-CD2 3.34Å; L399-Y403 PolarHBondContact O-N 3.01Å; L399-V438 HydrophobicContact CD1-CG2 4.27Å
400	Q	98.7	Very high	98.2	Very high	69 Å²	69	34.6 Å²	34.6	32%	0.322	17%	0.167	S	C	.	.	H	α-helix	trans	-59.4	-44.2	173.7	-68.9	178.2	-17.8	0	0	112.1	P396 R397 H398 Y403 Q404	P396-Q400 PolarHBondContact O-N 2.77Å; R397-Q400 WeakPolarHBondContact O-CB 3.46Å; R397-Q400 PolarHBondContact O-N 2.75Å; H398-Q400 VanDerWaalsContact C-N 3.35Å; H398-Q400 PolarHBondContact O-N 3.08Å; Q400-Y403 PolarHBondContact O-N 3.04Å; Q400-Q404 PolarHBondContact O-N 2.96Å
401	I	98.8	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-42.8	177.4	-68.2	168.7	0	0	0	110.6	P346 M349 R350 W360 R397 H398 L399 Y403 Q404 I405	P346-I401 HydrophobicContact CB-CB 4.42Å; P346-I401 HydrophobicContact CB-CG2 3.94Å; M349-I401 HydrophobicContact CB-CG2 3.85Å; M349-I401 HydrophobicContact CG-CG2 4.45Å; R350-I401 HydrophobicContact CB-CD1 3.59Å; R350-I401 HydrophobicContact CG-CD1 4.04Å; W360-I401 HydrophobicContact CH2-CG2 4.13Å; W360-I401 HydrophobicContact CZ3-CG2 4.39Å; R397-I401 HydrophobicContact CG-CD1 4.28Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 2.89Å; R397-I401 VanDerWaalsContact O-N 3.14Å; H398-I401 PolarHBondContact O-N 3.31Å; L399-I401 VanDerWaalsContact C-N 3.34Å; L399-I401 PolarHBondContact O-N 3.02Å; I401-Y403 VanDerWaalsContact C-N 3.35Å; I401-Y403 PolarHBondContact O-N 3.45Å; I401-Q404 PolarHBondContact O-N 3.05Å; I401-I405 HydrophobicContact CG2-CD1 3.89Å; I401-I405 HydrophobicContact CG2-CG1 4.41Å; I401-I405 VanDerWaalsContact O-CG1 3.31Å; I401-I405 WeakPolarHBondContact O-CG1 3.48Å; I401-I405 PolarHBondContact O-N 3.36Å
402	I	98.9	Very high	98.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-43.5	176.5	-71.3	163.2	0	0	0	110.7	M343 P346 H398 L399 Q404 I405 N406 I430 V438 L443	M343-I402 HydrophobicContact CE-CD1 4.41Å; M343-I402 HydrophobicContact SD-CD1 4.34Å; P346-I402 HydrophobicContact CB-CG1 4.08Å; P346-I402 HydrophobicContact CG-CD1 4.27Å; P346-I402 HydrophobicContact CG-CG1 4.18Å; H398-I402 WeakPolarHBondContact O-CB 3.24Å; H398-I402 VanDerWaalsContact O-CG1 3.25Å; H398-I402 WeakPolarHBondContact O-CG1 3.32Å; H398-I402 PolarHBondContact O-N 2.9Å; L399-I402 PolarHBondContact O-N 2.95Å; I402-Q404 VanDerWaalsContact C-N 3.33Å; I402-Q404 PolarHBondContact O-N 3.28Å; I402-I405 PolarHBondContact O-N 3.3Å; I402-N406 WeakPolarHBondContact O-CB 3.41Å; I402-N406 PolarHBondContact O-N 3.44Å; I402-I430 HydrophobicContact CG2-CD1 4.22Å; I402-V438 HydrophobicContact CD1-CG1 4.46Å; I402-V438 HydrophobicContact CG2-CG1 3.91Å; I402-V438 HydrophobicContact CG2-CG2 4.41Å; I402-L443 HydrophobicContact CD1-CD2 4.38Å; I402-L443 HydrophobicContact CG1-CD2 4.32Å
403	Y	98.8	Very high	98.2	Very high	89 Å²	89	37.3 Å²	37.3	35%	0.349	18%	0.182	S	C	.	.	H	α-helix	trans	-62.4	-39.9	175.2	-75.7	-46.4	0	0	0	112.4	V388 L399 Q400 I401 N406 Q407 I430	V388-Y403 WeakPolarHBondContact CG1-OH 3.35Å; L399-Y403 HydrophobicContact CD1-CD2 4.18Å; L399-Y403 HydrophobicContact CD1-CE1 4.47Å; L399-Y403 HydrophobicContact CD1-CE2 3.7Å; L399-Y403 HydrophobicContact CD2-CE2 3.9Å; L399-Y403 HydrophobicContact CG-CD2 3.94Å; L399-Y403 HydrophobicContact CG-CE2 3.52Å; L399-Y403 VanDerWaalsContact O-CD2 3.32Å; L399-Y403 WeakPolarHBondContact O-CD2 3.34Å; L399-Y403 PolarHBondContact O-N 3.01Å; Q400-Y403 PolarHBondContact O-N 3.04Å; I401-Y403 VanDerWaalsContact C-N 3.35Å; I401-Y403 PolarHBondContact O-N 3.45Å; Y403-N406 PolarHBondContact O-N 2.73Å; Y403-Q407 WeakPolarHBondContact O-CB 3.28Å; Y403-Q407 PolarHBondContact O-N 3.11Å; Y403-I430 HydrophobicContact CD1-CD1 3.89Å; Y403-I430 HydrophobicContact CD1-CG1 3.9Å; Y403-I430 HydrophobicContact CE1-CD1 3.61Å; Y403-I430 HydrophobicContact CE1-CG1 3.73Å; Y403-I430 HydrophobicContact CE1-CG2 4.41Å
404	Q	98.5	Very high	98.1	Very high	85 Å²	85	34.2 Å²	34.2	40%	0.397	18%	0.175	S	C	.	.	H	α-helix	trans	-68.7	-38.5	177.2	-170.8	175	-6.4	0	0	112.2	W360 Q400 I401 I402 N406 Q407 A408	W360-Q404 HydrophobicContact CD2-CG 4.37Å; W360-Q404 VanDerWaalsContact CD2-NE2 3.35Å; W360-Q404 VanDerWaalsContact CE3-CD 3.44Å; W360-Q404 HydrophobicContact CE3-CG 4.29Å; W360-Q404 VanDerWaalsContact CE3-NE2 3.31Å; W360-Q404 HydrophobicContact CH2-CB 3.57Å; W360-Q404 HydrophobicContact CH2-CG 3.51Å; W360-Q404 HydrophobicContact CZ2-CB 3.98Å; W360-Q404 HydrophobicContact CZ2-CG 3.57Å; W360-Q404 HydrophobicContact CZ3-CB 4.12Å; W360-Q404 HydrophobicContact CZ3-CG 3.88Å; Q400-Q404 PolarHBondContact O-N 2.96Å; I401-Q404 PolarHBondContact O-N 3.05Å; I402-Q404 VanDerWaalsContact C-N 3.33Å; I402-Q404 PolarHBondContact O-N 3.28Å; Q404-N406 VanDerWaalsContact C-N 3.34Å; Q404-Q407 PolarHBondContact O-N 2.9Å; Q404-A408 PolarHBondContact O-N 3.13Å
405	I	98.8	Very high	98.1	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-47.2	170.3	-68.9	166.1	0	0	0	110	I345 W360 W364 I401 I402 A408 H409 L429 L443 V446	I345-I405 HydrophobicContact CG2-CD1 4.36Å; W360-I405 HydrophobicContact CH2-CG1 3.99Å; W360-I405 HydrophobicContact CZ2-CG1 3.92Å; W364-I405 HydrophobicContact CE3-CD1 4.43Å; W364-I405 HydrophobicContact CE3-CG1 4.31Å; W364-I405 HydrophobicContact CH2-CD1 4.08Å; W364-I405 HydrophobicContact CH2-CG1 4.07Å; W364-I405 HydrophobicContact CH2-CG2 3.69Å; W364-I405 HydrophobicContact CZ2-CG2 4.11Å; W364-I405 HydrophobicContact CZ3-CD1 3.65Å; W364-I405 HydrophobicContact CZ3-CG1 3.82Å; W364-I405 HydrophobicContact CZ3-CG2 4.3Å; I401-I405 HydrophobicContact CG2-CD1 3.89Å; I401-I405 HydrophobicContact CG2-CG1 4.41Å; I401-I405 VanDerWaalsContact O-CG1 3.31Å; I401-I405 WeakPolarHBondContact O-CG1 3.48Å; I401-I405 PolarHBondContact O-N 3.36Å; I402-I405 PolarHBondContact O-N 3.3Å; I405-A408 PolarHBondContact O-N 3.37Å; I405-H409 VanDerWaalsContact O-CB 3.3Å; I405-H409 WeakPolarHBondContact O-CB 3.38Å; I405-H409 PolarHBondContact O-N 3.16Å; I405-L429 HydrophobicContact CG2-CD2 3.85Å; I405-L443 HydrophobicContact CD1-CD1 4.24Å; I405-V446 HydrophobicContact CG2-CG1 3.98Å
406	N	98.7	Very high	97.9	Very high	14 Å²	14	42.3 Å²	42.3	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-45.3	179.4	-170.9	54.2	0	0	0	111.7	I402 Y403 Q404 H409 L410 S428 L429 I430	I402-N406 WeakPolarHBondContact O-CB 3.41Å; I402-N406 PolarHBondContact O-N 3.44Å; Y403-N406 PolarHBondContact O-N 2.73Å; Q404-N406 VanDerWaalsContact C-N 3.34Å; N406-H409 PolarHBondContact O-N 3.47Å; N406-L410 WeakPolarHBondContact ND2-CD1 3.46Å; N406-L410 WeakPolarHBondContact O-CB 3.49Å; N406-L410 VanDerWaalsContact O-CG 3.31Å; N406-L410 WeakPolarHBondContact O-CG 3.36Å; N406-L410 PolarHBondContact O-N 3.04Å; N406-S428 PolarHBondContact ND2-OG 3.38Å; N406-S428 PolarHBondContact OD1-OG 3.34Å; N406-L429 HydrophobicContact CB-CB 4.16Å; N406-L429 PolarHBondContact OD1-N 3.4Å; N406-I430 HydrophobicContact CB-CG1 4.49Å
407	Q	98.5	Very high	97.7	Very high	107 Å²	107	44.8 Å²	44.8	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-59.6	-52.6	178.5	-175.8	62.2	48.8	0	0	111	Y403 Q404 H409 L410 D411	Y403-Q407 WeakPolarHBondContact O-CB 3.28Å; Y403-Q407 PolarHBondContact O-N 3.11Å; Q404-Q407 PolarHBondContact O-N 2.9Å; Q407-H409 VanDerWaalsContact C-N 3.27Å; Q407-H409 PolarHBondContact O-N 3.12Å; Q407-L410 PolarHBondContact O-N 3.33Å; Q407-D411 VanDerWaalsContact NE2-CG 3.3Å; Q407-D411 PolarHBondContact NE2-OD1 2.84Å; Q407-D411 PolarHBondContact NE2-OD2 2.86Å; Q407-D411 VanDerWaalsContact NE2-OD2 3.14Å; Q407-D411 WeakPolarHBondContact O-CB 3.33Å; Q407-D411 PolarHBondContact O-N 2.97Å
408	A	97.8	Very high	97.5	Very high	46 Å²	46	48.4 Å²	48.4	38%	0.38	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-37.1	178.7	0	0	0	0	0	112.4	Q404 I405 K412	Q404-A408 PolarHBondContact O-N 3.13Å; I405-A408 PolarHBondContact O-N 3.37Å; A408-K412 PolarHBondContact O-N 3.46Å
409	H	97.8	Very high	97.1	Very high	18 Å²	18	56 Å²	56	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-52.3	174	179	64.1	0	0	0	111.5	I405 N406 Q407 D411 K412 I413 M427 V446 F470	I405-H409 VanDerWaalsContact O-CB 3.3Å; I405-H409 WeakPolarHBondContact O-CB 3.38Å; I405-H409 PolarHBondContact O-N 3.16Å; N406-H409 PolarHBondContact O-N 3.47Å; Q407-H409 VanDerWaalsContact C-N 3.27Å; Q407-H409 PolarHBondContact O-N 3.12Å; H409-D411 VanDerWaalsContact C-N 3.33Å; H409-D411 PolarHBondContact O-N 2.75Å; H409-K412 WeakPolarHBondContact O-CB 3.4Å; H409-K412 PolarHBondContact O-N 3.28Å; H409-K412 VanDerWaalsContact O-N 3.15Å; H409-I413 WeakPolarHBondContact O-CG1 3.16Å; H409-I413 PolarHBondContact O-N 3.33Å; H409-M427 PolarHBondContact CD2-O 3.47Å; H409-M427 PolarHBondContact NE2-O 2.89Å; H409-V446 HydrophobicContact CB-CG1 4.24Å; H409-F470 AromaticContact NE2-CE1 3.7Å
410	L	97.9	Very high	96.8	Very high	31 Å²	31	58.5 Å²	58.5	16%	0.162	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-33.3	-178.1	-68.6	-178.3	0	0	0	112.6	N406 Q407 K412 I413 A414 L424	N406-L410 WeakPolarHBondContact ND2-CD1 3.46Å; N406-L410 WeakPolarHBondContact O-CB 3.49Å; N406-L410 VanDerWaalsContact O-CG 3.31Å; N406-L410 WeakPolarHBondContact O-CG 3.36Å; N406-L410 PolarHBondContact O-N 3.04Å; Q407-L410 PolarHBondContact O-N 3.33Å; L410-K412 VanDerWaalsContact C-N 3.33Å; L410-K412 PolarHBondContact O-N 2.92Å; L410-I413 PolarHBondContact O-N 2.98Å; L410-A414 WeakPolarHBondContact O-CB 3.5Å; L410-A414 PolarHBondContact O-N 2.88Å; L410-L424 HydrophobicContact CB-CD2 4.2Å; L410-L424 HydrophobicContact CD2-CB 4.45Å; L410-L424 HydrophobicContact CD2-CD2 3.98Å; L410-L424 VanDerWaalsContact CD2-O 3.28Å; L410-L424 WeakPolarHBondContact CD2-O 3.25Å; L410-L424 WeakPolarHBondContact O-CD2 3.43Å
411	D	97.3	Very high	96.5	Very high	88 Å²	88	61.5 Å²	61.5	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-41.3	172.6	-70.2	-25.8	0	0	0	111.2	Q407 H409 A414 A415	Q407-D411 VanDerWaalsContact NE2-CG 3.3Å; Q407-D411 PolarHBondContact NE2-OD1 2.84Å; Q407-D411 PolarHBondContact NE2-OD2 2.86Å; Q407-D411 VanDerWaalsContact NE2-OD2 3.14Å; Q407-D411 WeakPolarHBondContact O-CB 3.33Å; Q407-D411 PolarHBondContact O-N 2.97Å; H409-D411 VanDerWaalsContact C-N 3.33Å; H409-D411 PolarHBondContact O-N 2.75Å; D411-A414 PolarHBondContact O-N 3.23Å; D411-A415 WeakPolarHBondContact O-CB 3.4Å; D411-A415 PolarHBondContact O-N 3.46Å
412	K	96.2	Very high	96.3	Very high	88 Å²	88	64.7 Å²	64.7	38%	0.383	35%	0.352	S	S	.	.	H	α-helix	trans	-62	-43.9	171.7	180	-174.2	175.3	-172.9	0	111.3	A408 H409 L410 A415 L416 E474	A408-K412 PolarHBondContact O-N 3.46Å; H409-K412 WeakPolarHBondContact O-CB 3.4Å; H409-K412 PolarHBondContact O-N 3.28Å; H409-K412 VanDerWaalsContact O-N 3.15Å; L410-K412 VanDerWaalsContact C-N 3.33Å; L410-K412 PolarHBondContact O-N 2.92Å; K412-A415 PolarHBondContact O-N 3.14Å; K412-L416 HydrophobicContact CG-CD1 4.07Å; K412-L416 WeakPolarHBondContact O-CG 3.49Å; K412-L416 PolarHBondContact O-N 3.4Å; K412-L416 VanDerWaalsContact O-N 3.08Å; K412-E474 IonicContact NZ-OE1 3.8Å
413	I	96.6	Very high	96	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-44.1	177.9	-59.3	-48.6	0	0	0	111	H409 L410 A415 L416 F417 K423 L424 M427 L473	H409-I413 WeakPolarHBondContact O-CG1 3.16Å; H409-I413 PolarHBondContact O-N 3.33Å; L410-I413 PolarHBondContact O-N 2.98Å; I413-A415 VanDerWaalsContact C-N 3.3Å; I413-A415 PolarHBondContact O-N 2.87Å; I413-L416 PolarHBondContact O-N 2.88Å; I413-F417 HydrophobicContact CG2-CD2 4.16Å; I413-F417 PolarHBondContact O-N 2.83Å; I413-K423 HydrophobicContact CG2-CG 4.27Å; I413-L424 HydrophobicContact CB-CD2 3.71Å; I413-L424 HydrophobicContact CG2-CD2 3.62Å; I413-L424 HydrophobicContact CG2-CG 4.33Å; I413-M427 HydrophobicContact CD1-CE 3.79Å; I413-M427 HydrophobicContact CD1-SD 3.93Å; I413-M427 HydrophobicContact CG1-CE 4.46Å; I413-M427 HydrophobicContact CG1-SD 4.23Å; I413-M427 HydrophobicContact CG2-SD 4.26Å; I413-L473 HydrophobicContact CD1-CD1 4.43Å; I413-L473 HydrophobicContact CD1-CD2 3.47Å; I413-L473 VanDerWaalsContact CD1-CD2 3.47Å
414	A	96.8	Very high	95.8	Very high	40 Å²	40	64.4 Å²	64.4	33%	0.331	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-35.9	179.3	0	0	0	0	0	112	L410 D411 F417 P418 L424	L410-A414 WeakPolarHBondContact O-CB 3.5Å; L410-A414 PolarHBondContact O-N 2.88Å; D411-A414 PolarHBondContact O-N 3.23Å; A414-F417 CarbonylContact O-C 3.51Å; A414-P418 WeakPolarHBondContact O-CA 3.17Å; A414-L424 HydrophobicContact CB-CD1 4.31Å; A414-L424 HydrophobicContact CB-CD2 4.07Å
415	A	96.6	Very high	95.6	Very high	79 Å²	79	66.8 Å²	66.8	65%	0.653	36%	0.359	S	S	*	.	H	α-helix	trans	-68.5	-37.3	174.6	0	0	0	0	0	112.8	D411 K412 I413	D411-A415 WeakPolarHBondContact O-CB 3.4Å; D411-A415 PolarHBondContact O-N 3.46Å; K412-A415 PolarHBondContact O-N 3.14Å; I413-A415 VanDerWaalsContact C-N 3.3Å; I413-A415 PolarHBondContact O-N 2.87Å
416	L	95.3	Very high	95.3	Very high	92 Å²	92	71.5 Å²	71.5	48%	0.482	38%	0.38	S	S	.	.	H	α-helix	trans	-80.7	-33.6	-180	-70.5	173.6	0	0	0	113.3	K412 I413 L473	K412-L416 HydrophobicContact CG-CD1 4.07Å; K412-L416 WeakPolarHBondContact O-CG 3.49Å; K412-L416 PolarHBondContact O-N 3.4Å; K412-L416 VanDerWaalsContact O-N 3.08Å; I413-L416 PolarHBondContact O-N 2.88Å; L416-L473 HydrophobicContact CD1-CD1 3.45Å; L416-L473 VanDerWaalsContact CD1-CD1 3.45Å
417	F	94.3	Very high	95.2	Very high	70 Å²	70	70.9 Å²	70.9	31%	0.307	38%	0.376	S	S	.	.	S	Bend	trans	-127.9	71.2	-178.9	-54.4	-77.9	0	0	0	111	I413 A414 N419 D420 K423 L473	I413-F417 HydrophobicContact CG2-CD2 4.16Å; I413-F417 PolarHBondContact O-N 2.83Å; A414-F417 CarbonylContact O-C 3.51Å; F417-N419 PolarHBondContact O-N 3.22Å; F417-D420 HydrophobicContact CB-CB 4.07Å; F417-D420 PolarHBondContact O-N 2.89Å; F417-K423 HydrophobicContact CB-CD 4.34Å; F417-K423 HydrophobicContact CD1-CD 4.38Å; F417-K423 HydrophobicContact CD2-CD 3.7Å; F417-K423 HydrophobicContact CE2-CD 4.03Å; F417-K423 HydrophobicContact CG-CD 3.88Å; F417-L473 HydrophobicContact CE2-CD1 4.22Å
418	P	92.9	Very high	95.2	Very high	90 Å²	90	66.5 Å²	66.5	58%	0.584	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	132.6	179.8	-23.5	33.8	0	0	0	111.6	A414 D420	A414-P418 WeakPolarHBondContact O-CA 3.17Å; P418-D420 VanDerWaalsContact C-N 3.34Å; P418-D420 PolarHBondContact O-N 3.09Å
419	N	91	Very high	95.2	Very high	161 Å²	161	64.3 Å²	64.3	86%	0.861	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	4.3	-179.8	-46.9	-57.4	0	0	0	117.1	F417 I421	F417-N419 PolarHBondContact O-N 3.22Å; N419-I421 PolarHBondContact O-N 3.32Å
420	D	92.9	Very high	95.2	Very high	58 Å²	58	63.8 Å²	63.8	31%	0.31	34%	0.337	S	S	.	.			trans	-87.9	76.6	174.1	-166	-14.7	0	0	0	111.6	F417 P418 D422 K423 L424	F417-D420 HydrophobicContact CB-CB 4.07Å; F417-D420 PolarHBondContact O-N 2.89Å; P418-D420 VanDerWaalsContact C-N 3.34Å; P418-D420 PolarHBondContact O-N 3.09Å; D420-D422 VanDerWaalsContact C-N 3.29Å; D420-D422 PolarHBondContact O-N 3.03Å; D420-K423 HydrophobicContact CB-CB 4.09Å; D420-K423 PolarHBondContact O-N 3.49Å; D420-K423 WeakPolarHBondContact OD1-CB 3.33Å; D420-K423 PolarHBondContact OD1-N 2.93Å; D420-K423 WeakPolarHBondContact OD2-CB 3.39Å; D420-K423 VanDerWaalsContact OD2-CE 3.27Å; D420-K423 WeakPolarHBondContact OD2-CE 3.48Å; D420-K423 IonicContact OD2-NZ 2.98Å; D420-L424 PolarHBondContact O-N 2.81Å
421	I	92.6	Very high	95.2	Very high	133 Å²	133	64.2 Å²	64.2	68%	0.682	34%	0.338	S	S	*	.	H	α-helix	trans	-64.6	-33.9	-176.9	-60	176.3	0	0	0	111.7	N419 L424 R425	N419-I421 PolarHBondContact O-N 3.32Å; I421-L424 WeakPolarHBondContact O-CB 3.29Å; I421-L424 PolarHBondContact O-N 3.43Å; I421-R425 PolarHBondContact O-N 2.98Å
422	D	93.5	Very high	95	Very high	67 Å²	67	65.2 Å²	65.2	36%	0.358	34%	0.34	S	S	.	.	H	α-helix	trans	-69.6	-38.2	-179.6	-173.4	55.6	0	0	0	111.3	D420 R425 K426	D420-D422 VanDerWaalsContact C-N 3.29Å; D420-D422 PolarHBondContact O-N 3.03Å; D422-R425 WeakPolarHBondContact O-CB 3.42Å; D422-R425 PolarHBondContact O-N 3.36Å; D422-R425 IonicContact OD1-CZ 3.37Å; D422-R425 IonicContact OD1-NE 3.69Å; D422-R425 PolarHBondContact OD1-NE 2.94Å; D422-R425 IonicContact OD1-NH2 2.64Å; D422-R425 PolarHBondContact OD1-NH2 2.77Å; D422-K426 WeakPolarHBondContact O-CG 3.42Å; D422-K426 PolarHBondContact O-N 3.2Å; D422-K426 WeakPolarHBondContact OD2-CE 3.37Å; D422-K426 IonicContact OD2-NZ 3.8Å; D422-K426 PolarHBondContact OD2-NZ 2.78Å
423	K	93.1	Very high	94.4	Very high	38 Å²	38	66.9 Å²	66.9	17%	0.165	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-41.4	173	-172.6	172.7	-67.1	-176.4	0	112.3	I413 F417 D420 R425 K426 M427	I413-K423 HydrophobicContact CG2-CG 4.27Å; F417-K423 HydrophobicContact CB-CD 4.34Å; F417-K423 HydrophobicContact CD1-CD 4.38Å; F417-K423 HydrophobicContact CD2-CD 3.7Å; F417-K423 HydrophobicContact CE2-CD 4.03Å; F417-K423 HydrophobicContact CG-CD 3.88Å; D420-K423 HydrophobicContact CB-CB 4.09Å; D420-K423 PolarHBondContact O-N 3.49Å; D420-K423 WeakPolarHBondContact OD1-CB 3.33Å; D420-K423 PolarHBondContact OD1-N 2.93Å; D420-K423 WeakPolarHBondContact OD2-CB 3.39Å; D420-K423 VanDerWaalsContact OD2-CE 3.27Å; D420-K423 WeakPolarHBondContact OD2-CE 3.48Å; D420-K423 IonicContact OD2-NZ 2.98Å; K423-R425 VanDerWaalsContact C-N 3.31Å; K423-R425 PolarHBondContact O-N 3.47Å; K423-K426 PolarHBondContact O-N 3.25Å; K423-M427 HydrophobicContact CD-SD 4.17Å; K423-M427 HydrophobicContact CG-CG 4.21Å; K423-M427 HydrophobicContact CG-SD 3.67Å; K423-M427 WeakPolarHBondContact O-CB 3.3Å; K423-M427 WeakPolarHBondContact O-CG 3.46Å; K423-M427 PolarHBondContact O-N 3.27Å
424	L	94.1	Very high	93.9	Very high	44 Å²	44	71 Å²	71	23%	0.23	40%	0.396	C	S	.	.	H	α-helix	trans	-57	-46	172.7	-71.5	171.8	0	0	0	111.7	L410 I413 A414 D420 I421 S428	L410-L424 HydrophobicContact CB-CD2 4.2Å; L410-L424 HydrophobicContact CD2-CB 4.45Å; L410-L424 HydrophobicContact CD2-CD2 3.98Å; L410-L424 VanDerWaalsContact CD2-O 3.28Å; L410-L424 WeakPolarHBondContact CD2-O 3.25Å; L410-L424 WeakPolarHBondContact O-CD2 3.43Å; I413-L424 HydrophobicContact CB-CD2 3.71Å; I413-L424 HydrophobicContact CG2-CD2 3.62Å; I413-L424 HydrophobicContact CG2-CG 4.33Å; A414-L424 HydrophobicContact CB-CD1 4.31Å; A414-L424 HydrophobicContact CB-CD2 4.07Å; D420-L424 PolarHBondContact O-N 2.81Å; I421-L424 WeakPolarHBondContact O-CB 3.29Å; I421-L424 PolarHBondContact O-N 3.43Å; L424-S428 PolarHBondContact O-N 3.2Å; L424-S428 VanDerWaalsContact O-N 3.12Å
425	R	94.8	Very high	93.5	Very high	136 Å²	136	71.7 Å²	71.7	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-62.6	-44.9	178.2	-173.4	-174.8	65.8	91	4.7	112.1	I421 D422 K423 D433	I421-R425 PolarHBondContact O-N 2.98Å; D422-R425 WeakPolarHBondContact O-CB 3.42Å; D422-R425 PolarHBondContact O-N 3.36Å; D422-R425 IonicContact OD1-CZ 3.37Å; D422-R425 IonicContact OD1-NE 3.69Å; D422-R425 PolarHBondContact OD1-NE 2.94Å; D422-R425 IonicContact OD1-NH2 2.64Å; D422-R425 PolarHBondContact OD1-NH2 2.77Å; K423-R425 VanDerWaalsContact C-N 3.31Å; K423-R425 PolarHBondContact O-N 3.47Å; R425-D433 IonicContact NH1-OD2 3.77Å
426	K	93.8	Very high	93.5	Very high	101 Å²	101	72.7 Å²	72.7	44%	0.439	39%	0.387	S	S	.	.	H	α-helix	trans	-67.9	-35.3	-178.9	-75.6	172.8	173.7	161.8	0	113.5	D422 K423 H442	D422-K426 WeakPolarHBondContact O-CG 3.42Å; D422-K426 PolarHBondContact O-N 3.2Å; D422-K426 WeakPolarHBondContact OD2-CE 3.37Å; D422-K426 IonicContact OD2-NZ 3.8Å; D422-K426 PolarHBondContact OD2-NZ 2.78Å; K423-K426 PolarHBondContact O-N 3.25Å; K426-H442 PolarHBondContact O-CE1 3.14Å
427	M	96.4	Very high	93.6	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-91.3	-3.4	-177.7	-61.1	-174.5	76	0	0	113.6	H409 I413 K423 D469 F470 L473	H409-M427 PolarHBondContact CD2-O 3.47Å; H409-M427 PolarHBondContact NE2-O 2.89Å; I413-M427 HydrophobicContact CD1-CE 3.79Å; I413-M427 HydrophobicContact CD1-SD 3.93Å; I413-M427 HydrophobicContact CG1-CE 4.46Å; I413-M427 HydrophobicContact CG1-SD 4.23Å; I413-M427 HydrophobicContact CG2-SD 4.26Å; K423-M427 HydrophobicContact CD-SD 4.17Å; K423-M427 HydrophobicContact CG-CG 4.21Å; K423-M427 HydrophobicContact CG-SD 3.67Å; K423-M427 WeakPolarHBondContact O-CB 3.3Å; K423-M427 WeakPolarHBondContact O-CG 3.46Å; K423-M427 PolarHBondContact O-N 3.27Å; M427-D469 HydrophobicContact CE-CB 4.31Å; M427-D469 WeakPolarHBondContact CE-O 3.32Å; M427-D469 HydrophobicContact CG-CB 3.77Å; M427-D469 HydrophobicContact SD-CB 3.8Å; M427-F470 HydrophobicContact CB-CE1 4.28Å; M427-F470 HydrophobicContact CB-CZ 4.06Å; M427-F470 HydrophobicContact CE-CD1 3.61Å; M427-F470 HydrophobicContact CE-CE1 3.88Å; M427-F470 HydrophobicContact CE-CG 4.02Å; M427-F470 HydrophobicContact CE-CZ 4.5Å; M427-F470 HydrophobicContact CG-CZ 4.42Å; M427-L473 HydrophobicContact CE-CB 4.46Å; M427-L473 HydrophobicContact CE-CD2 3.91Å
428	S	97.9	Very high	93.8	Very high	14 Å²	14	69.5 Å²	69.5	10%	0.098	37%	0.367	C	S	.	.			trans	-61.2	141	174.9	-179.1	0	0	0	0	111.4	N406 L424 I430 H442	N406-S428 PolarHBondContact ND2-OG 3.38Å; N406-S428 PolarHBondContact OD1-OG 3.34Å; L424-S428 PolarHBondContact O-N 3.2Å; L424-S428 VanDerWaalsContact O-N 3.12Å; S428-I430 WeakPolarHBondContact CB-O 3.25Å; S428-I430 PolarHBondContact O-N 3.36Å; S428-I430 PolarHBondContact OG-N 2.96Å; S428-I430 PolarHBondContact OG-O 2.83Å; S428-H442 PolarHBondContact O-ND1 2.84Å
429	L	98.1	Very high	94	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-71.3	-18	166.8	-79.6	62.5	0	0	0	111.4	I405 N406 V438 N439 H442 L443 V446	I405-L429 HydrophobicContact CG2-CD2 3.85Å; N406-L429 HydrophobicContact CB-CB 4.16Å; N406-L429 PolarHBondContact OD1-N 3.4Å; L429-V438 CarbonylContact O-C 3.5Å; L429-V438 WeakPolarHBondContact O-CA 3.25Å; L429-N439 PolarHBondContact O-N 3.27Å; L429-H442 HydrophobicContact CD1-CB 4.28Å; L429-H442 HydrophobicContact CG-CB 4.2Å; L429-L443 HydrophobicContact CD2-CB 4.03Å; L429-L443 HydrophobicContact CD2-CD1 3.71Å; L429-L443 HydrophobicContact CD2-CG 4.48Å; L429-L443 HydrophobicContact CG-CB 4.39Å; L429-V446 HydrophobicContact CD1-CB 4.38Å; L429-V446 HydrophobicContact CD1-CG2 3.93Å
430	I	98.1	Very high	94.3	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.1	-177.9	-49.5	-60.7	0	0	0	109.5	I402 Y403 N406 S428 R437 V438	I402-I430 HydrophobicContact CG2-CD1 4.22Å; Y403-I430 HydrophobicContact CD1-CD1 3.89Å; Y403-I430 HydrophobicContact CD1-CG1 3.9Å; Y403-I430 HydrophobicContact CE1-CD1 3.61Å; Y403-I430 HydrophobicContact CE1-CG1 3.73Å; Y403-I430 HydrophobicContact CE1-CG2 4.41Å; N406-I430 HydrophobicContact CB-CG1 4.49Å; S428-I430 WeakPolarHBondContact CB-O 3.25Å; S428-I430 PolarHBondContact O-N 3.36Å; S428-I430 PolarHBondContact OG-N 2.96Å; S428-I430 PolarHBondContact OG-O 2.83Å; I430-R437 CarbonylContact C-O 3.46Å; I430-R437 WeakPolarHBondContact CA-O 3.29Å; I430-V438 HydrophobicContact CD1-CG2 3.82Å
431	E	96.2	Very high	94.5	Very high	39 Å²	39	55 Å²	55	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.6	174.3	-61.7	179.6	176.6	0	0	109.7	R385 K436 R437 N439	R385-E431 WeakPolarHBondContact CD-OE2 3.49Å; R385-E431 IonicContact CZ-OE1 2.81Å; R385-E431 IonicContact CZ-OE2 3.83Å; R385-E431 IonicContact NE-OE1 3.33Å; R385-E431 PolarHBondContact NE-OE1 2.83Å; R385-E431 IonicContact NE-OE2 2.87Å; R385-E431 IonicContact NH1-OE1 3.73Å; R385-E431 PolarHBondContact NH1-OE1 3.37Å; R385-E431 IonicContact NH1-OE2 3.5Å; R385-E431 PolarHBondContact NH1-OE2 2.84Å; R385-E431 IonicContact NH2-OE1 3.87Å; E431-K436 VanDerWaalsContact O-CA 3.26Å; E431-K436 WeakPolarHBondContact O-CA 3.45Å; E431-R437 HydrophobicContact CB-CB 4.43Å; E431-R437 PolarHBondContact N-O 3.41Å; E431-R437 PolarHBondContact O-N 3.01Å; E431-N439 HydrophobicContact CG-CB 4.33Å; E431-N439 PolarHBondContact OE1-ND2 3.36Å
432	E	93.1	Very high	94.8	Very high	109 Å²	109	49.7 Å²	49.7	51%	0.509	26%	0.257	S	S	.	.			trans	-98.3	-20	-175.7	-65.7	-68.8	168.1	0	0	113.2	G434 K436	E432-G434 PolarHBondContact O-N 2.81Å; E432-K436 IonicContact OE1-NZ 2.74Å; E432-K436 PolarHBondContact OE1-NZ 3.01Å; E432-K436 WeakPolarHBondContact OE2-CE 3.44Å; E432-K436 IonicContact OE2-NZ 3.14Å; E432-K436 PolarHBondContact OE2-NZ 3.31Å
433	D	84.6	Confident	95.1	Very high	123 Å²	123	46.5 Å²	46.5	66%	0.658	24%	0.24	S	C	*	.	S	Bend	trans	-71.4	121.3	-172.6	-69.5	-36.2	0	0	0	112.2	R425 C435	R425-D433 IonicContact NH1-OD2 3.77Å; D433-C435 PolarHBondContact O-N 3.05Å
434	G	86	Confident	95.3	Very high	88 Å²	88	44.7 Å²	44.7	91%	0.907	23%	0.232	S	C	*	.	S	Bend	trans	80.3	-98.4	-179.3	0	0	0	0	0	112.4	E432	E432-G434 PolarHBondContact O-N 2.81Å
435	C	89.2	Confident	95.5	Very high	54 Å²	54	42.7 Å²	42.7	37%	0.365	22%	0.221	S	C	.	.	S	Bend	trans	-111.7	139.6	170.6	64.2	0	0	0	0	109.3	D433 R437	D433-C435 PolarHBondContact O-N 3.05Å; C435-R437 WeakPolarHBondContact O-CG 3.25Å; C435-R437 PolarHBondContact O-N 3.02Å; C435-R437 PolarHBondContact SG-NE 3.19Å; C435-R437 PolarHBondContact SG-NH2 3.26Å
436	K	96.1	Very high	95.7	Very high	101 Å²	101	36.7 Å²	36.7	44%	0.439	20%	0.2	S	C	.	.			trans	-59.3	130.6	-178.9	-68.1	-169.7	-177.1	-121.8	0	110.7	V388 E431 E432	V388-K436 HydrophobicContact CB-CB 3.95Å; V388-K436 HydrophobicContact CG2-CB 3.72Å; V388-K436 PolarHBondContact N-O 2.79Å; E431-K436 VanDerWaalsContact O-CA 3.26Å; E431-K436 WeakPolarHBondContact O-CA 3.45Å; E432-K436 IonicContact OE1-NZ 2.74Å; E432-K436 PolarHBondContact OE1-NZ 3.01Å; E432-K436 WeakPolarHBondContact OE2-CE 3.44Å; E432-K436 IonicContact OE2-NZ 3.14Å; E432-K436 PolarHBondContact OE2-NZ 3.31Å
437	R	96.8	Very high	95.9	Very high	95 Å²	95	31.9 Å²	31.9	36%	0.358	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.1	-179.7	-68.1	170.6	-163.5	-157.7	3.4	111.5	R385 W386 I430 E431 C435	R385-R437 HydrophobicContact CB-CB 4.19Å; R385-R437 HydrophobicContact CB-CG 4.47Å; W386-R437 CarbonylContact O-C 3.49Å; W386-R437 WeakPolarHBondContact O-CA 3.48Å; I430-R437 CarbonylContact C-O 3.46Å; I430-R437 WeakPolarHBondContact CA-O 3.29Å; E431-R437 HydrophobicContact CB-CB 4.43Å; E431-R437 PolarHBondContact N-O 3.41Å; E431-R437 PolarHBondContact O-N 3.01Å; C435-R437 WeakPolarHBondContact O-CG 3.25Å; C435-R437 PolarHBondContact O-N 3.02Å; C435-R437 PolarHBondContact SG-NE 3.19Å; C435-R437 PolarHBondContact SG-NH2 3.26Å
438	V	98.1	Very high	96	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.9	166.9	-175.6	0	0	0	0	108.4	R385 W386 V388 L391 L399 I402 L429 I430 M440	R385-V438 WeakPolarHBondContact CA-O 3.29Å; W386-V438 PolarHBondContact N-O 2.85Å; W386-V438 VanDerWaalsContact N-O 3.09Å; W386-V438 PolarHBondContact O-N 2.83Å; V388-V438 HydrophobicContact CG2-CG2 4.07Å; L391-V438 HydrophobicContact CD1-CB 3.81Å; L391-V438 HydrophobicContact CD1-CG2 3.41Å; L391-V438 VanDerWaalsContact CD1-CG2 3.41Å; L399-V438 HydrophobicContact CD1-CG2 4.27Å; I402-V438 HydrophobicContact CD1-CG1 4.46Å; I402-V438 HydrophobicContact CG2-CG1 3.91Å; I402-V438 HydrophobicContact CG2-CG2 4.41Å; L429-V438 CarbonylContact O-C 3.5Å; L429-V438 WeakPolarHBondContact O-CA 3.25Å; I430-V438 HydrophobicContact CD1-CG2 3.82Å; V438-M440 HydrophobicContact CB-SD 4.11Å; V438-M440 HydrophobicContact CG1-SD 3.68Å; V438-M440 PolarHBondContact O-N 3.04Å
439	N	97.6	Very high	96.1	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	107.2	173.9	-175.1	-46.9	0	0	0	109.3	L429 E431 A441 H442 L443	L429-N439 PolarHBondContact O-N 3.27Å; E431-N439 HydrophobicContact CG-CB 4.33Å; E431-N439 PolarHBondContact OE1-ND2 3.36Å; N439-A441 VanDerWaalsContact C-N 3.31Å; N439-A441 PolarHBondContact O-N 3.39Å; N439-A441 WeakPolarHBondContact OD1-CB 3.29Å; N439-A441 PolarHBondContact OD1-N 3.05Å; N439-A441 VanDerWaalsContact OD1-N 3.14Å; N439-H442 HydrophobicContact CB-CB 4.17Å; N439-H442 PolarHBondContact ND2-NE2 3.41Å; N439-H442 PolarHBondContact O-N 3.01Å; N439-H442 PolarHBondContact OD1-CD2 2.86Å; N439-H442 PolarHBondContact OD1-N 3.39Å; N439-L443 PolarHBondContact O-N 3.34Å; N439-L443 VanDerWaalsContact O-N 3.14Å
440	M	98.1	Very high	96.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-71.9	-27.5	-173.2	-55	-48.9	-69.4	0	0	112.3	T339 A342 M343 E384 V438 L443 C444	T339-M440 HydrophobicContact CG2-CB 4.21Å; A342-M440 HydrophobicContact CB-CB 4.15Å; A342-M440 HydrophobicContact CB-CE 3.69Å; M343-M440 HydrophobicContact CG-CE 4.21Å; M343-M440 HydrophobicContact SD-CE 3.65Å; E384-M440 HydrophobicContact CB-CB 4.15Å; E384-M440 HydrophobicContact CB-CG 3.97Å; E384-M440 WeakPolarHBondContact O-CG 3.41Å; E384-M440 PolarHBondContact O-N 2.99Å; E384-M440 VanDerWaalsContact O-N 3.07Å; V438-M440 HydrophobicContact CB-SD 4.11Å; V438-M440 HydrophobicContact CG1-SD 3.68Å; V438-M440 PolarHBondContact O-N 3.04Å; M440-L443 HydrophobicContact CE-CD2 3.73Å; M440-L443 PolarHBondContact O-N 2.89Å; M440-C444 WeakPolarHBondContact O-CB 3.41Å; M440-C444 PolarHBondContact O-N 2.85Å; M440-C444 PolarHBondContact O-SG 3.31Å
441	A	97.3	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-42.8	174.5	0	0	0	0	0	111.1	T339 L383 N439 L443 C444 I445 F467	T339-A441 HydrophobicContact CG2-CB 3.98Å; L383-A441 HydrophobicContact CD2-CB 4.24Å; N439-A441 VanDerWaalsContact C-N 3.31Å; N439-A441 PolarHBondContact O-N 3.39Å; N439-A441 WeakPolarHBondContact OD1-CB 3.29Å; N439-A441 PolarHBondContact OD1-N 3.05Å; N439-A441 VanDerWaalsContact OD1-N 3.14Å; A441-L443 VanDerWaalsContact C-N 3.34Å; A441-L443 PolarHBondContact O-N 3.3Å; A441-C444 PolarHBondContact O-N 2.94Å; A441-I445 WeakPolarHBondContact O-CD1 3.26Å; A441-I445 VanDerWaalsContact O-CG1 3.23Å; A441-I445 WeakPolarHBondContact O-CG1 3.1Å; A441-I445 PolarHBondContact O-N 3.14Å; A441-F467 HydrophobicContact CB-CE1 4.08Å; A441-F467 HydrophobicContact CB-CZ 3.99Å
442	H	98.3	Very high	96.2	Very high	22 Å²	22	32.6 Å²	32.6	10%	0.102	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-41.7	175.1	-66.1	-173.5	0	0	0	111.2	K426 S428 L429 N439 C444 I445 V446 F470	K426-H442 PolarHBondContact O-CE1 3.14Å; S428-H442 PolarHBondContact O-ND1 2.84Å; L429-H442 HydrophobicContact CD1-CB 4.28Å; L429-H442 HydrophobicContact CG-CB 4.2Å; N439-H442 HydrophobicContact CB-CB 4.17Å; N439-H442 PolarHBondContact ND2-NE2 3.41Å; N439-H442 PolarHBondContact O-N 3.01Å; N439-H442 PolarHBondContact OD1-CD2 2.86Å; N439-H442 PolarHBondContact OD1-N 3.39Å; H442-C444 PolarHBondContact O-N 3.45Å; H442-I445 PolarHBondContact O-N 2.88Å; H442-V446 WeakPolarHBondContact O-CB 3.4Å; H442-V446 WeakPolarHBondContact O-CG2 3.3Å; H442-V446 PolarHBondContact O-N 3.47Å; H442-F470 HydrophobicContact CB-CZ 4.04Å; H442-F470 AromaticContact CD2-CE2 3.62Å; H442-F470 AromaticContact CD2-CZ 3.96Å; H442-F470 AromaticContact CG-CE2 3.88Å; H442-F470 AromaticContact CG-CZ 3.73Å; H442-F470 AromaticContact ND1-CZ 3.95Å; H442-F470 AromaticContact NE2-CE2 3.75Å
443	L	98.8	Very high	96.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-47.9	174.1	175.5	63.4	0	0	0	111.6	I345 P346 I402 I405 L429 N439 M440 A441 V446 G447	I345-L443 HydrophobicContact CD1-CG 4.44Å; I345-L443 HydrophobicContact CG2-CD1 4.19Å; P346-L443 HydrophobicContact CG-CD2 4.38Å; I402-L443 HydrophobicContact CD1-CD2 4.38Å; I402-L443 HydrophobicContact CG1-CD2 4.32Å; I405-L443 HydrophobicContact CD1-CD1 4.24Å; L429-L443 HydrophobicContact CD2-CB 4.03Å; L429-L443 HydrophobicContact CD2-CD1 3.71Å; L429-L443 HydrophobicContact CD2-CG 4.48Å; L429-L443 HydrophobicContact CG-CB 4.39Å; N439-L443 PolarHBondContact O-N 3.34Å; N439-L443 VanDerWaalsContact O-N 3.14Å; M440-L443 HydrophobicContact CE-CD2 3.73Å; M440-L443 PolarHBondContact O-N 2.89Å; A441-L443 VanDerWaalsContact C-N 3.34Å; A441-L443 PolarHBondContact O-N 3.3Å; L443-V446 PolarHBondContact O-N 3.22Å; L443-G447 PolarHBondContact O-N 3.42Å
444	C	98.6	Very high	97	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-45.8	176.7	-81.3	0	0	0	0	112.5	A342 Y373 M440 A441 H442 S448	A342-C444 WeakPolarHBondContact CB-SG 3.39Å; Y373-C444 HydrophobicContact CD1-CB 3.64Å; Y373-C444 HydrophobicContact CD2-CB 3.82Å; Y373-C444 HydrophobicContact CE1-CB 3.99Å; Y373-C444 HydrophobicContact CE2-CB 4.17Å; Y373-C444 HydrophobicContact CG-CB 3.56Å; M440-C444 WeakPolarHBondContact O-CB 3.41Å; M440-C444 PolarHBondContact O-N 2.85Å; M440-C444 PolarHBondContact O-SG 3.31Å; A441-C444 PolarHBondContact O-N 2.94Å; H442-C444 PolarHBondContact O-N 3.45Å; C444-S448 WeakPolarHBondContact O-CB 3.46Å; C444-S448 PolarHBondContact O-N 3Å; C444-S448 PolarHBondContact O-OG 3.27Å
445	I	98.5	Very high	97.5	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-60.9	-53	178.1	-67.6	162.1	0	0	0	109	Y373 A441 H442 G447 S448 V451 F467 F470 K477 F478	Y373-I445 HydrophobicContact CD1-CG1 4.18Å; Y373-I445 HydrophobicContact CE1-CG1 4.1Å; A441-I445 WeakPolarHBondContact O-CD1 3.26Å; A441-I445 VanDerWaalsContact O-CG1 3.23Å; A441-I445 WeakPolarHBondContact O-CG1 3.1Å; A441-I445 PolarHBondContact O-N 3.14Å; H442-I445 PolarHBondContact O-N 2.88Å; I445-G447 PolarHBondContact O-N 2.89Å; I445-S448 PolarHBondContact O-N 3.26Å; I445-V451 HydrophobicContact CB-CG2 4.43Å; I445-V451 HydrophobicContact CG1-CG1 4.46Å; I445-V451 HydrophobicContact CG1-CG2 4.15Å; I445-V451 HydrophobicContact CG2-CG2 4.4Å; I445-F467 HydrophobicContact CD1-CB 4.09Å; I445-F467 HydrophobicContact CD1-CD1 3.47Å; I445-F467 VanDerWaalsContact CD1-CD1 3.47Å; I445-F467 HydrophobicContact CD1-CD2 3.88Å; I445-F467 HydrophobicContact CD1-CE1 3.78Å; I445-F467 HydrophobicContact CD1-CE2 4.18Å; I445-F467 HydrophobicContact CD1-CG 3.53Å; I445-F467 HydrophobicContact CD1-CZ 4.14Å; I445-F470 HydrophobicContact CD1-CD2 4.27Å; I445-F470 HydrophobicContact CD1-CG 4.48Å; I445-F470 HydrophobicContact CG2-CB 3.88Å; I445-F470 HydrophobicContact CG2-CD1 3.73Å; I445-F470 HydrophobicContact CG2-CE1 4.44Å; I445-F470 HydrophobicContact CG2-CG 3.84Å; I445-K477 WeakPolarHBondContact O-CE 3.37Å; I445-K477 PolarHBondContact O-NZ 2.86Å; I445-F478 HydrophobicContact CG2-CZ 4.16Å
446	V	98.6	Very high	97.7	Very high	11 Å²	11	18.7 Å²	18.7	7%	0.067	8%	0.083	C	C	.	.	H	α-helix	trans	-64.3	-38.1	-176.5	170.1	0	0	0	0	112.7	W364 I405 H409 L429 H442 L443 F470	W364-V446 HydrophobicContact CH2-CG1 4.24Å; W364-V446 HydrophobicContact CZ2-CG1 3.87Å; I405-V446 HydrophobicContact CG2-CG1 3.98Å; H409-V446 HydrophobicContact CB-CG1 4.24Å; L429-V446 HydrophobicContact CD1-CB 4.38Å; L429-V446 HydrophobicContact CD1-CG2 3.93Å; H442-V446 WeakPolarHBondContact O-CB 3.4Å; H442-V446 WeakPolarHBondContact O-CG2 3.3Å; H442-V446 PolarHBondContact O-N 3.47Å; L443-V446 PolarHBondContact O-N 3.22Å; V446-F470 HydrophobicContact CG2-CD1 4.47Å; V446-F470 HydrophobicContact CG2-CE1 3.86Å
447	G	98.4	Very high	97.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-87.1	2.6	-176.7	0	0	0	0	0	116.8	W364 R368 L443 I445	W364-G447 VanDerWaalsContact CH2-CA 3.47Å; R368-G447 WeakPolarHBondContact CA-O 3.31Å; L443-G447 PolarHBondContact O-N 3.42Å; I445-G447 PolarHBondContact O-N 2.89Å
448	S	98.7	Very high	97.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.			trans	-113	159.1	-179.5	-58.1	0	0	0	0	112.3	F371 C444 I445 K477	F371-S448 CarbonylContact O-C 3.59Å; F371-S448 VanDerWaalsContact O-CA 3.27Å; F371-S448 WeakPolarHBondContact O-CA 3.32Å; F371-S448 WeakPolarHBondContact O-CB 3.34Å; C444-S448 WeakPolarHBondContact O-CB 3.46Å; C444-S448 PolarHBondContact O-N 3Å; C444-S448 PolarHBondContact O-OG 3.27Å; I445-S448 PolarHBondContact O-N 3.26Å; S448-K477 WeakPolarHBondContact O-CE 3.27Å; S448-K477 PolarHBondContact O-NZ 3.1Å
449	H	98.6	Very high	97.2	Very high	71 Å²	71	11.3 Å²	11.3	33%	0.329	6%	0.055	S	C	.	.	S	Bend	trans	-91.8	-19.3	170.4	67.8	-83.2	0	0	0	113.1	R368 R369 F371 V823	R368-H449 WeakPolarHBondContact O-CB 3.4Å; R368-H449 PolarHBondContact O-N 3.44Å; R368-H449 VanDerWaalsContact O-N 3.08Å; R368-H449 PolarHBondContact O-ND1 3.01Å; R368-H449 VanDerWaalsContact O-ND1 3.16Å; R369-H449 PolarHBondContact O-ND1 3.35Å; F371-H449 PolarHBondContact O-CE1 3.19Å; F371-H449 VanDerWaalsContact O-CE1 3.31Å; F371-H449 PolarHBondContact O-N 3.48Å; F371-H449 PolarHBondContact O-ND1 3.35Å; H449-V823 PolarHBondContact NE2-O 3.33Å
450	A	98.6	Very high	97.1	Very high	3 Å²	3	14.7 Å²	14.7	3%	0.025	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.3	177.5	0	0	0	0	0	110.8	A372 Y373 V823	A372-A450 WeakPolarHBondContact CA-O 3.48Å; A372-A450 HydrophobicContact CB-CB 4.13Å; Y373-A450 PolarHBondContact N-O 3.01Å; A450-V823 HydrophobicContact CB-CG1 3.96Å
451	V	98.6	Very high	96.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.6	175.4	178.3	0	0	0	0	107.6	Y373 I445 K477 F478 Q479	Y373-V451 HydrophobicContact CD1-CB 4.48Å; Y373-V451 HydrophobicContact CD1-CG1 3.79Å; Y373-V451 HydrophobicContact CD1-CG2 4.12Å; Y373-V451 HydrophobicContact CE1-CG1 4.18Å; Y373-V451 CarbonylContact O-C 3.53Å; Y373-V451 VanDerWaalsContact O-CA 3.28Å; Y373-V451 WeakPolarHBondContact O-CA 3.36Å; I445-V451 HydrophobicContact CB-CG2 4.43Å; I445-V451 HydrophobicContact CG1-CG1 4.46Å; I445-V451 HydrophobicContact CG1-CG2 4.15Å; I445-V451 HydrophobicContact CG2-CG2 4.4Å; V451-K477 HydrophobicContact CB-CG 4.41Å; V451-K477 HydrophobicContact CG2-CD 4.03Å; V451-K477 HydrophobicContact CG2-CG 3.98Å; V451-K477 PolarHBondContact N-O 3.31Å; V451-K477 VanDerWaalsContact O-O 3.08Å; V451-F478 HydrophobicContact CB-CD1 4.22Å; V451-F478 HydrophobicContact CB-CE1 4.29Å; V451-F478 HydrophobicContact CG1-CD1 4Å; V451-F478 HydrophobicContact CG1-CE1 3.88Å; V451-F478 CarbonylContact O-C 3.57Å; V451-F478 VanDerWaalsContact O-CA 3.28Å; V451-F478 WeakPolarHBondContact O-CA 3.23Å; V451-Q479 PolarHBondContact O-N 2.87Å
452	N	98.3	Very high	96.6	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.011	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.8	178.7	77.4	-85.6	0	0	0	113.1	Y373 T374 N375 Q479 K481 Y819	Y373-N452 PolarHBondContact O-N 2.96Å; Y373-N452 PolarHBondContact O-OD1 3.19Å; T374-N452 WeakPolarHBondContact CA-O 3.46Å; T374-N452 WeakPolarHBondContact CG2-ND2 3.28Å; T374-N452 PolarHBondContact OG1-OD1 3.47Å; N375-N452 PolarHBondContact N-O 3.12Å; N452-Q479 WeakPolarHBondContact CA-O 3.44Å; N452-Q479 HydrophobicContact CB-CB 4.17Å; N452-K481 HydrophobicContact CB-CG 4.26Å; N452-Y819 PolarHBondContact ND2-OH 3.49Å; N452-Y819 WeakPolarHBondContact OD1-CE1 3.31Å; N452-Y819 PolarHBondContact OD1-OH 2.99Å
453	G	97.1	Very high	96.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	178.6	161	0	0	0	0	0	111.4	H458 S459 Q479 K481	G453-H458 WeakPolarHBondContact CA-ND1 3.5Å; G453-S459 WeakPolarHBondContact CA-OG 3.46Å; G453-S459 PolarHBondContact N-OG 3.11Å; G453-Q479 PolarHBondContact N-O 3.23Å; G453-K481 PolarHBondContact O-N 3.41Å; G453-K481 VanDerWaalsContact O-N 3.15Å
454	V	97	Very high	96.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.109	C	C	.	.	S	Bend	trans	-118.9	6.1	-165.8	-67.7	0	0	0	0	115.3	T374 H458 K481 T482 N483 A672 S673	T374-V454 HydrophobicContact CG2-CG1 3.54Å; V454-H458 PolarHBondContact N-ND1 3.38Å; V454-K481 WeakPolarHBondContact CA-O 3.42Å; V454-T482 WeakPolarHBondContact O-CA 3.46Å; V454-N483 PolarHBondContact O-N 2.76Å; V454-A672 HydrophobicContact CG2-CB 3.73Å; V454-S673 WeakPolarHBondContact O-CB 3.32Å; V454-S673 PolarHBondContact O-OG 2.89Å
455	A	95.9	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-160	156.8	169.4	0	0	0	0	0	107.3	I457 H458 S459 N480 A672 E697	A455-I457 PolarHBondContact O-N 2.94Å; A455-H458 HydrophobicContact CB-CB 4.29Å; A455-H458 PolarHBondContact O-N 2.92Å; A455-S459 WeakPolarHBondContact O-CB 3.32Å; A455-S459 PolarHBondContact O-N 2.79Å; A455-N480 PolarHBondContact N-OD1 2.8Å; A455-N480 PolarHBondContact O-OD1 3.4Å; A455-A672 VanDerWaalsContact CB-O 3.23Å; A455-A672 WeakPolarHBondContact CB-O 3.42Å; A455-E697 WeakPolarHBondContact CA-OE2 3.33Å; A455-E697 WeakPolarHBondContact CB-OE2 3.38Å
456	Q	94.6	Very high	95.3	Very high	81 Å²	81	29.7 Å²	29.7	38%	0.379	15%	0.152	S	C	.	.	H	α-helix	trans	-60.9	-45.8	-174.1	-172.9	60.2	52.4	0	0	112.5	H458 S459 N460 N480 E697	Q456-H458 VanDerWaalsContact C-N 3.34Å; Q456-H458 PolarHBondContact O-N 3.15Å; Q456-S459 PolarHBondContact O-N 3.31Å; Q456-N460 PolarHBondContact NE2-OD1 3.05Å; Q456-N460 VanDerWaalsContact O-CG 3.24Å; Q456-N460 PolarHBondContact O-N 3.44Å; Q456-N460 PolarHBondContact O-OD1 3.27Å; Q456-N480 PolarHBondContact OE1-ND2 3.19Å; Q456-N480 VanDerWaalsContact OE1-ND2 3.07Å; Q456-E697 PolarHBondContact N-OE2 3.14Å
457	I	91.8	Very high	95.2	Very high	40 Å²	40	29.4 Å²	29.4	21%	0.205	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-43.6	177.8	-170.5	169.9	0	0	0	111.6	A455 N460 I461 G693 V696 V714	A455-I457 PolarHBondContact O-N 2.94Å; I457-N460 WeakPolarHBondContact O-CB 3.35Å; I457-N460 PolarHBondContact O-N 2.89Å; I457-I461 HydrophobicContact CG1-CD1 4.21Å; I457-I461 WeakPolarHBondContact O-CG1 3.43Å; I457-I461 PolarHBondContact O-N 3.1Å; I457-G693 WeakPolarHBondContact CG2-O 3.32Å; I457-V696 HydrophobicContact CD1-CG2 4.22Å; I457-V714 HydrophobicContact CD1-CG2 3.89Å
458	H	93.8	Very high	95.1	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-45.8	177	174.2	-95.3	0	0	0	111.8	N375 G453 V454 A455 Q456 N460 I461 I462 A672	N375-H458 PolarHBondContact O-CE1 3.38Å; N375-H458 PolarHBondContact OD1-CE1 3.24Å; N375-H458 PolarHBondContact OD1-NE2 3.33Å; G453-H458 WeakPolarHBondContact CA-ND1 3.5Å; V454-H458 PolarHBondContact N-ND1 3.38Å; A455-H458 HydrophobicContact CB-CB 4.29Å; A455-H458 PolarHBondContact O-N 2.92Å; Q456-H458 VanDerWaalsContact C-N 3.34Å; Q456-H458 PolarHBondContact O-N 3.15Å; H458-N460 PolarHBondContact O-N 3.26Å; H458-I461 PolarHBondContact O-N 2.95Å; H458-I461 VanDerWaalsContact O-N 3.16Å; H458-I462 WeakPolarHBondContact O-CG2 3.21Å; H458-I462 PolarHBondContact O-N 2.61Å; H458-A672 HydrophobicContact CB-CB 4.49Å; H458-A672 WeakPolarHBondContact CB-O 3.44Å; H458-A672 WeakPolarHBondContact CD2-CB 3.34Å; H458-A672 WeakPolarHBondContact NE2-CB 3.19Å
459	S	95.2	Very high	94.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-30.7	174.6	-87.5	0	0	0	0	113	G453 A455 Q456 I462 K463 Q479 N480	G453-S459 WeakPolarHBondContact CA-OG 3.46Å; G453-S459 PolarHBondContact N-OG 3.11Å; A455-S459 WeakPolarHBondContact O-CB 3.32Å; A455-S459 PolarHBondContact O-N 2.79Å; Q456-S459 PolarHBondContact O-N 3.31Å; S459-I462 WeakPolarHBondContact O-CG1 3.31Å; S459-K463 WeakPolarHBondContact O-CD 3.46Å; S459-K463 WeakPolarHBondContact O-CG 3.34Å; S459-K463 PolarHBondContact O-N 2.64Å; S459-Q479 PolarHBondContact OG-O 3.06Å; S459-N480 VanDerWaalsContact OG-CA 3.3Å; S459-N480 WeakPolarHBondContact OG-CA 3.3Å; S459-N480 WeakPolarHBondContact OG-CB 3.44Å; S459-N480 PolarHBondContact OG-OD1 3.18Å
460	N	94	Very high	94.9	Very high	73 Å²	73	33 Å²	33	39%	0.39	17%	0.166	S	C	.	.	H	α-helix	trans	-72.6	-47.8	173.3	-67.4	-13.7	0	0	0	110.8	Q456 I457 H458 I462 K463 T464	Q456-N460 PolarHBondContact NE2-OD1 3.05Å; Q456-N460 VanDerWaalsContact O-CG 3.24Å; Q456-N460 PolarHBondContact O-N 3.44Å; Q456-N460 PolarHBondContact O-OD1 3.27Å; I457-N460 WeakPolarHBondContact O-CB 3.35Å; I457-N460 PolarHBondContact O-N 2.89Å; H458-N460 PolarHBondContact O-N 3.26Å; N460-I462 VanDerWaalsContact C-N 3.32Å; N460-I462 PolarHBondContact O-N 2.96Å; N460-K463 WeakPolarHBondContact O-CA 3.36Å; N460-K463 WeakPolarHBondContact O-CB 3.41Å; N460-K463 PolarHBondContact O-N 3.1Å; N460-T464 PolarHBondContact O-N 3.38Å; N460-T464 PolarHBondContact O-OG1 2.96Å
461	I	91.6	Very high	94.8	Very high	17 Å²	17	33.4 Å²	33.4	9%	0.087	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-42.4	179	-65.9	163.5	0	0	0	111.6	I378 I457 H458 K463 T464 E465 V466	I378-I461 HydrophobicContact CD1-CD1 4.39Å; I378-I461 HydrophobicContact CD1-CG2 4.16Å; I378-I461 HydrophobicContact CG2-CG2 4.11Å; I457-I461 HydrophobicContact CG1-CD1 4.21Å; I457-I461 WeakPolarHBondContact O-CG1 3.43Å; I457-I461 PolarHBondContact O-N 3.1Å; H458-I461 PolarHBondContact O-N 2.95Å; H458-I461 VanDerWaalsContact O-N 3.16Å; I461-K463 VanDerWaalsContact C-N 3.26Å; I461-K463 PolarHBondContact O-N 3.28Å; I461-T464 PolarHBondContact O-N 3.31Å; I461-E465 HydrophobicContact CG2-CB 4.4Å; I461-E465 WeakPolarHBondContact O-CA 3.17Å; I461-E465 WeakPolarHBondContact O-CB 3.31Å; I461-E465 PolarHBondContact O-N 3.32Å; I461-V466 HydrophobicContact CG2-CG2 4.07Å; I461-V466 PolarHBondContact O-N 3.39Å
462	I	93.4	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-63.5	-33.6	176.8	66.8	175.5	0	0	0	112.2	I378 H458 S459 N460 F467 F478	I378-I462 HydrophobicContact CG2-CG2 4.07Å; H458-I462 WeakPolarHBondContact O-CG2 3.21Å; H458-I462 PolarHBondContact O-N 2.61Å; S459-I462 WeakPolarHBondContact O-CG1 3.31Å; N460-I462 VanDerWaalsContact C-N 3.32Å; N460-I462 PolarHBondContact O-N 2.96Å; I462-F467 HydrophobicContact CB-CD2 3.99Å; I462-F467 HydrophobicContact CB-CE2 4.44Å; I462-F467 HydrophobicContact CG2-CD2 4.47Å; I462-F467 HydrophobicContact CG2-CE2 4.44Å; I462-F467 CarbonylContact O-C 3.55Å; I462-F467 WeakPolarHBondContact O-CA 3.4Å; I462-F467 WeakPolarHBondContact O-CB 3.2Å; I462-F467 PolarHBondContact O-N 2.68Å; I462-F478 HydrophobicContact CD1-CD1 4.37Å
463	K	93.9	Very high	94.5	Very high	61 Å²	61	39.5 Å²	39.5	27%	0.265	20%	0.201	S	C	.	.	I	π-helix	trans	-77.8	-40	-179.9	-75.3	174.9	176.5	-168	0	112.4	S459 N460 I461 K468 F478	S459-K463 WeakPolarHBondContact O-CD 3.46Å; S459-K463 WeakPolarHBondContact O-CG 3.34Å; S459-K463 PolarHBondContact O-N 2.64Å; N460-K463 WeakPolarHBondContact O-CA 3.36Å; N460-K463 WeakPolarHBondContact O-CB 3.41Å; N460-K463 PolarHBondContact O-N 3.1Å; I461-K463 VanDerWaalsContact C-N 3.26Å; I461-K463 PolarHBondContact O-N 3.28Å; K463-K468 WeakPolarHBondContact O-CA 3.5Å; K463-F478 HydrophobicContact CD-CB 4.15Å; K463-F478 VanDerWaalsContact CE-C 3.47Å; K463-F478 WeakPolarHBondContact CE-O 3.21Å; K463-F478 HydrophobicContact CG-CB 3.76Å; K463-F478 HydrophobicContact CG-CD1 4.22Å; K463-F478 HydrophobicContact CG-CG 4.22Å; K463-F478 PolarHBondContact NZ-O 3.2Å
464	T	92.9	Very high	94.4	Very high	83 Å²	83	41.8 Å²	41.8	51%	0.509	21%	0.212	S	C	.	.	I	π-helix	trans	-95.4	-21.7	-170.5	56.3	0	0	0	0	113.4	N460 I461 K468	N460-T464 PolarHBondContact O-N 3.38Å; N460-T464 PolarHBondContact O-OG1 2.96Å; I461-T464 PolarHBondContact O-N 3.31Å; T464-K468 WeakPolarHBondContact O-CD 3.4Å
465	E	90.3	Very high	94.3	Very high	129 Å²	129	45.2 Å²	45.2	60%	0.603	24%	0.235	S	C	*	.	I	π-helix	trans	-126.6	-67.1	-173.6	-59.1	-178.5	-162.2	0	0	112	I461	I461-E465 HydrophobicContact CG2-CB 4.4Å; I461-E465 WeakPolarHBondContact O-CA 3.17Å; I461-E465 WeakPolarHBondContact O-CB 3.31Å; I461-E465 PolarHBondContact O-N 3.32Å
466	V	90.9	Very high	94.3	Very high	49 Å²	49	52.5 Å²	52.5	30%	0.297	27%	0.273	S	S	.	.	I	π-helix	trans	-68.6	-46	-165.7	-173.8	0	0	0	0	112.5	I378 I461	I378-V466 HydrophobicContact CB-CG2 4.1Å; I378-V466 HydrophobicContact CG2-CG2 4.06Å; I461-V466 HydrophobicContact CG2-CG2 4.07Å; I461-V466 PolarHBondContact O-N 3.39Å
467	F	95.2	Very high	94.4	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.022	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	31.9	-178.7	-53.8	-54.1	0	0	0	111.6	A441 I445 I462 D469 F470 S471 F478	A441-F467 HydrophobicContact CB-CE1 4.08Å; A441-F467 HydrophobicContact CB-CZ 3.99Å; I445-F467 HydrophobicContact CD1-CB 4.09Å; I445-F467 HydrophobicContact CD1-CD1 3.47Å; I445-F467 VanDerWaalsContact CD1-CD1 3.47Å; I445-F467 HydrophobicContact CD1-CD2 3.88Å; I445-F467 HydrophobicContact CD1-CE1 3.78Å; I445-F467 HydrophobicContact CD1-CE2 4.18Å; I445-F467 HydrophobicContact CD1-CG 3.53Å; I445-F467 HydrophobicContact CD1-CZ 4.14Å; I462-F467 HydrophobicContact CB-CD2 3.99Å; I462-F467 HydrophobicContact CB-CE2 4.44Å; I462-F467 HydrophobicContact CG2-CD2 4.47Å; I462-F467 HydrophobicContact CG2-CE2 4.44Å; I462-F467 CarbonylContact O-C 3.55Å; I462-F467 WeakPolarHBondContact O-CA 3.4Å; I462-F467 WeakPolarHBondContact O-CB 3.2Å; I462-F467 PolarHBondContact O-N 2.68Å; F467-D469 VanDerWaalsContact C-N 3.32Å; F467-D469 PolarHBondContact O-N 2.66Å; F467-F470 HydrophobicContact CB-CB 4.46Å; F467-F470 HydrophobicContact CB-CD2 4.3Å; F467-F470 PolarHBondContact O-N 3.09Å; F467-S471 PolarHBondContact O-N 3.23Å; F467-F478 HydrophobicContact CB-CE1 3.85Å; F467-F478 HydrophobicContact CB-CZ 4.01Å; F467-F478 HydrophobicContact CD2-CE1 4.27Å; F467-F478 HydrophobicContact CG-CE1 4.47Å
468	K	95.9	Very high	94.7	Very high	92 Å²	92	47.6 Å²	47.6	40%	0.4	25%	0.249	S	C	.	.	H	α-helix	trans	-50.4	-49.7	-175.5	-172.3	-170.3	178.5	-61.5	0	113	K463 T464 F470 S471 D472	K463-K468 WeakPolarHBondContact O-CA 3.5Å; T464-K468 WeakPolarHBondContact O-CD 3.4Å; K468-F470 VanDerWaalsContact C-N 3.27Å; K468-F470 PolarHBondContact O-N 3.18Å; K468-S471 PolarHBondContact O-N 3.25Å; K468-S471 VanDerWaalsContact O-N 3.14Å; K468-D472 IonicContact NZ-OD1 2.67Å; K468-D472 IonicContact NZ-OD2 2.89Å; K468-D472 PolarHBondContact NZ-OD2 3.07Å; K468-D472 WeakPolarHBondContact O-CB 3.49Å; K468-D472 PolarHBondContact O-N 3.07Å
469	D	96.2	Very high	94.9	Very high	45 Å²	45	49.6 Å²	49.6	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-33.1	-177.5	-66.7	-38.6	0	0	0	112.5	M427 F467 L473	M427-D469 HydrophobicContact CE-CB 4.31Å; M427-D469 WeakPolarHBondContact CE-O 3.32Å; M427-D469 HydrophobicContact CG-CB 3.77Å; M427-D469 HydrophobicContact SD-CB 3.8Å; F467-D469 VanDerWaalsContact C-N 3.32Å; F467-D469 PolarHBondContact O-N 2.66Å; D469-L473 PolarHBondContact O-N 3.37Å
470	F	97.1	Very high	95	Very high	10 Å²	10	51.1 Å²	51.1	4%	0.044	27%	0.267	C	S	.	.	H	α-helix	trans	-75	-39.5	173.9	-65.6	-81	0	0	0	112.2	H409 M427 H442 I445 V446 F467 K468 L473 E474 F478	H409-F470 AromaticContact NE2-CE1 3.7Å; M427-F470 HydrophobicContact CB-CE1 4.28Å; M427-F470 HydrophobicContact CB-CZ 4.06Å; M427-F470 HydrophobicContact CE-CD1 3.61Å; M427-F470 HydrophobicContact CE-CE1 3.88Å; M427-F470 HydrophobicContact CE-CG 4.02Å; M427-F470 HydrophobicContact CE-CZ 4.5Å; M427-F470 HydrophobicContact CG-CZ 4.42Å; H442-F470 HydrophobicContact CB-CZ 4.04Å; H442-F470 AromaticContact CD2-CE2 3.62Å; H442-F470 AromaticContact CD2-CZ 3.96Å; H442-F470 AromaticContact CG-CE2 3.88Å; H442-F470 AromaticContact CG-CZ 3.73Å; H442-F470 AromaticContact ND1-CZ 3.95Å; H442-F470 AromaticContact NE2-CE2 3.75Å; I445-F470 HydrophobicContact CD1-CD2 4.27Å; I445-F470 HydrophobicContact CD1-CG 4.48Å; I445-F470 HydrophobicContact CG2-CB 3.88Å; I445-F470 HydrophobicContact CG2-CD1 3.73Å; I445-F470 HydrophobicContact CG2-CE1 4.44Å; I445-F470 HydrophobicContact CG2-CG 3.84Å; V446-F470 HydrophobicContact CG2-CD1 4.47Å; V446-F470 HydrophobicContact CG2-CE1 3.86Å; F467-F470 HydrophobicContact CB-CB 4.46Å; F467-F470 HydrophobicContact CB-CD2 4.3Å; F467-F470 PolarHBondContact O-N 3.09Å; K468-F470 VanDerWaalsContact C-N 3.27Å; K468-F470 PolarHBondContact O-N 3.18Å; F470-L473 PolarHBondContact O-N 2.88Å; F470-E474 PolarHBondContact O-N 2.83Å; F470-F478 HydrophobicContact CB-CE2 4.09Å; F470-F478 HydrophobicContact CB-CZ 3.78Å
471	S	96.3	Very high	95.2	Very high	12 Å²	12	47.7 Å²	47.7	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-37.8	178.2	-174.2	0	0	0	0	112.1	F467 K468 L473 E474 P475 F478	F467-S471 PolarHBondContact O-N 3.23Å; K468-S471 PolarHBondContact O-N 3.25Å; K468-S471 VanDerWaalsContact O-N 3.14Å; S471-L473 PolarHBondContact O-N 2.73Å; S471-E474 CarbonylContact O-C 3.37Å; S471-P475 WeakPolarHBondContact O-CA 3.3Å; S471-P475 WeakPolarHBondContact O-CB 3.48Å; S471-P475 VanDerWaalsContact O-N 3.14Å; S471-F478 VanDerWaalsContact CA-CE2 3.43Å
472	D	95.6	Very high	95.5	Very high	96 Å²	96	47.1 Å²	47.1	51%	0.513	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-30	175	-72.2	-12.6	0	0	0	111.6	K468	K468-D472 IonicContact NZ-OD1 2.67Å; K468-D472 IonicContact NZ-OD2 2.89Å; K468-D472 PolarHBondContact NZ-OD2 3.07Å; K468-D472 WeakPolarHBondContact O-CB 3.49Å; K468-D472 PolarHBondContact O-N 3.07Å
473	L	95.1	Very high	95.7	Very high	33 Å²	33	47.5 Å²	47.5	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-79.7	-44.9	179.5	-179	69.8	0	0	0	113	I413 L416 F417 M427 D469 F470 S471	I413-L473 HydrophobicContact CD1-CD1 4.43Å; I413-L473 HydrophobicContact CD1-CD2 3.47Å; I413-L473 VanDerWaalsContact CD1-CD2 3.47Å; L416-L473 HydrophobicContact CD1-CD1 3.45Å; L416-L473 VanDerWaalsContact CD1-CD1 3.45Å; F417-L473 HydrophobicContact CE2-CD1 4.22Å; M427-L473 HydrophobicContact CE-CB 4.46Å; M427-L473 HydrophobicContact CE-CD2 3.91Å; D469-L473 PolarHBondContact O-N 3.37Å; F470-L473 PolarHBondContact O-N 2.88Å; S471-L473 PolarHBondContact O-N 2.73Å
474	E	95.6	Very high	95.9	Very high	48 Å²	48	44.6 Å²	44.6	22%	0.224	24%	0.235	C	C	.	.	S	Bend	trans	-130.4	69.4	-177.2	-60	-172.4	133.5	0	0	110.2	R368 K412 F470 S471 D476 K477	R368-E474 IonicContact NH1-OE1 4Å; K412-E474 IonicContact NZ-OE1 3.8Å; F470-E474 PolarHBondContact O-N 2.83Å; S471-E474 CarbonylContact O-C 3.37Å; E474-D476 PolarHBondContact O-N 3.43Å; E474-K477 HydrophobicContact CB-CB 4.03Å; E474-K477 HydrophobicContact CB-CD 4.19Å; E474-K477 WeakPolarHBondContact O-CB 3.5Å; E474-K477 PolarHBondContact O-N 3.42Å; E474-K477 VanDerWaalsContact O-N 3.13Å; E474-K477 IonicContact OE2-NZ 2.69Å; E474-K477 PolarHBondContact OE2-NZ 3.02Å
475	P	94.6	Very high	96.2	Very high	74 Å²	74	40.8 Å²	40.8	48%	0.481	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-62.4	-38.8	-170.5	22.5	-33.7	0	0	0	113.7	S471 K477 F478	S471-P475 WeakPolarHBondContact O-CA 3.3Å; S471-P475 WeakPolarHBondContact O-CB 3.48Å; S471-P475 VanDerWaalsContact O-N 3.14Å; P475-K477 PolarHBondContact O-N 3.35Å; P475-K477 VanDerWaalsContact O-N 3.14Å; P475-F478 PolarHBondContact O-N 2.84Å; P475-F478 VanDerWaalsContact O-N 3.15Å
476	D	95.4	Very high	96.6	Very high	152 Å²	152	34.7 Å²	34.7	81%	0.813	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-64.2	-19.2	-179.6	-61.2	-33.2	0	0	0	112.9	E474 F478	E474-D476 PolarHBondContact O-N 3.43Å; D476-F478 VanDerWaalsContact C-N 3.34Å
477	K	96.9	Very high	96.9	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.057	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-68.9	-33.2	177.6	-169	179.9	-156.8	148.8	0	112.4	I445 S448 V451 E474 P475	I445-K477 WeakPolarHBondContact O-CE 3.37Å; I445-K477 PolarHBondContact O-NZ 2.86Å; S448-K477 WeakPolarHBondContact O-CE 3.27Å; S448-K477 PolarHBondContact O-NZ 3.1Å; V451-K477 HydrophobicContact CB-CG 4.41Å; V451-K477 HydrophobicContact CG2-CD 4.03Å; V451-K477 HydrophobicContact CG2-CG 3.98Å; V451-K477 PolarHBondContact N-O 3.31Å; V451-K477 VanDerWaalsContact O-O 3.08Å; E474-K477 HydrophobicContact CB-CB 4.03Å; E474-K477 HydrophobicContact CB-CD 4.19Å; E474-K477 WeakPolarHBondContact O-CB 3.5Å; E474-K477 PolarHBondContact O-N 3.42Å; E474-K477 VanDerWaalsContact O-N 3.13Å; E474-K477 IonicContact OE2-NZ 2.69Å; E474-K477 PolarHBondContact OE2-NZ 3.02Å; P475-K477 PolarHBondContact O-N 3.35Å; P475-K477 VanDerWaalsContact O-N 3.14Å
478	F	97.9	Very high	97.1	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.7	-171.5	-72.9	-101.7	0	0	0	111	I445 V451 I462 K463 F467 F470 S471 P475 D476	I445-F478 HydrophobicContact CG2-CZ 4.16Å; V451-F478 HydrophobicContact CB-CD1 4.22Å; V451-F478 HydrophobicContact CB-CE1 4.29Å; V451-F478 HydrophobicContact CG1-CD1 4Å; V451-F478 HydrophobicContact CG1-CE1 3.88Å; V451-F478 CarbonylContact O-C 3.57Å; V451-F478 VanDerWaalsContact O-CA 3.28Å; V451-F478 WeakPolarHBondContact O-CA 3.23Å; I462-F478 HydrophobicContact CD1-CD1 4.37Å; K463-F478 HydrophobicContact CD-CB 4.15Å; K463-F478 VanDerWaalsContact CE-C 3.47Å; K463-F478 WeakPolarHBondContact CE-O 3.21Å; K463-F478 HydrophobicContact CG-CB 3.76Å; K463-F478 HydrophobicContact CG-CD1 4.22Å; K463-F478 HydrophobicContact CG-CG 4.22Å; K463-F478 PolarHBondContact NZ-O 3.2Å; F467-F478 HydrophobicContact CB-CE1 3.85Å; F467-F478 HydrophobicContact CB-CZ 4.01Å; F467-F478 HydrophobicContact CD2-CE1 4.27Å; F467-F478 HydrophobicContact CG-CE1 4.47Å; F470-F478 HydrophobicContact CB-CE2 4.09Å; F470-F478 HydrophobicContact CB-CZ 3.78Å; S471-F478 VanDerWaalsContact CA-CE2 3.43Å; P475-F478 PolarHBondContact O-N 2.84Å; P475-F478 VanDerWaalsContact O-N 3.15Å; D476-F478 VanDerWaalsContact C-N 3.34Å
479	Q	97.9	Very high	97.2	Very high	43 Å²	43	28.1 Å²	28.1	20%	0.201	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	173.7	-176.3	-58.1	-174.1	7.8	0	0	112.2	V451 N452 G453 S459 E822	V451-Q479 PolarHBondContact O-N 2.87Å; N452-Q479 WeakPolarHBondContact CA-O 3.44Å; N452-Q479 HydrophobicContact CB-CB 4.17Å; G453-Q479 PolarHBondContact N-O 3.23Å; S459-Q479 PolarHBondContact OG-O 3.06Å; Q479-E822 PolarHBondContact NE2-O 3.37Å
480	N	97.9	Very high	97.3	Very high	33 Å²	33	26 Å²	26	18%	0.176	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.7	164.3	179.7	40.6	0	0	0	109.3	A455 Q456 S459 T482	A455-N480 PolarHBondContact N-OD1 2.8Å; A455-N480 PolarHBondContact O-OD1 3.4Å; Q456-N480 PolarHBondContact OE1-ND2 3.19Å; Q456-N480 VanDerWaalsContact OE1-ND2 3.07Å; S459-N480 VanDerWaalsContact OG-CA 3.3Å; S459-N480 WeakPolarHBondContact OG-CA 3.3Å; S459-N480 WeakPolarHBondContact OG-CB 3.44Å; S459-N480 PolarHBondContact OG-OD1 3.18Å; N480-T482 PolarHBondContact ND2-OG1 2.93Å; N480-T482 VanDerWaalsContact ND2-OG1 3.09Å
481	K	98.2	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.			trans	-140.6	87.9	165.8	-63.5	-69.5	174	-79.5	0	107.1	N452 G453 V454 N483 E818 Y819 E822	N452-K481 HydrophobicContact CB-CG 4.26Å; G453-K481 PolarHBondContact O-N 3.41Å; G453-K481 VanDerWaalsContact O-N 3.15Å; V454-K481 WeakPolarHBondContact CA-O 3.42Å; K481-N483 PolarHBondContact O-N 3.41Å; K481-E818 HydrophobicContact CD-CB 3.48Å; K481-E818 VanDerWaalsContact CD-CB 3.48Å; K481-E818 VanDerWaalsContact CE-C 3.45Å; K481-E818 VanDerWaalsContact CE-O 3.3Å; K481-E818 WeakPolarHBondContact CE-O 3.4Å; K481-Y819 HydrophobicContact CB-CD2 3.91Å; K481-Y819 HydrophobicContact CB-CE1 4.45Å; K481-Y819 HydrophobicContact CB-CE2 3.33Å; K481-Y819 HydrophobicContact CD-CD2 4.04Å; K481-Y819 HydrophobicContact CD-CE2 4.32Å; K481-Y819 HydrophobicContact CD-CG 4.26Å; K481-Y819 HydrophobicContact CG-CD1 4.25Å; K481-Y819 HydrophobicContact CG-CD2 3.86Å; K481-Y819 HydrophobicContact CG-CE1 4.07Å; K481-Y819 HydrophobicContact CG-CE2 3.65Å; K481-Y819 HydrophobicContact CG-CG 4.17Å; K481-E822 IonicContact NZ-OE2 3.97Å; K481-E822 PolarHBondContact NZ-OE2 2.79Å
482	T	97.8	Very high	97.4	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.031	14%	0.136	C	C	.	.			trans	-55.2	130.9	179.7	-60	0	0	0	0	109.3	V454 N480 E697 R814 T815	V454-T482 WeakPolarHBondContact O-CA 3.46Å; N480-T482 PolarHBondContact ND2-OG1 2.93Å; N480-T482 VanDerWaalsContact ND2-OG1 3.09Å; T482-E697 WeakPolarHBondContact CB-OE1 3.39Å; T482-E697 WeakPolarHBondContact CG2-OE1 3.29Å; T482-E697 VanDerWaalsContact CG2-OE2 3.3Å; T482-E697 WeakPolarHBondContact CG2-OE2 3.23Å; T482-E697 PolarHBondContact OG1-OE1 2.84Å; T482-E697 PolarHBondContact OG1-OE2 2.78Å; T482-R814 PolarHBondContact O-NH1 2.84Å; T482-R814 PolarHBondContact O-NH2 3.07Å; T482-R814 VanDerWaalsContact O-NH2 3.08Å; T482-T815 VanDerWaalsContact O-CG2 3.31Å; T482-T815 WeakPolarHBondContact O-CG2 3.5Å; T482-T815 PolarHBondContact O-OG1 3.3Å
483	N	97.9	Very high	97.5	Very high	8 Å²	8	21.3 Å²	21.3	4%	0.043	11%	0.114	C	C	.	.			trans	-55.3	166.4	178.5	-76.7	-24.7	0	0	0	112.8	L140 V454 K481 S673 T675 M678 R814	L140-N483 HydrophobicContact CD1-CB 3.97Å; L140-N483 WeakPolarHBondContact CD1-OD1 3.49Å; L140-N483 WeakPolarHBondContact CD2-OD1 3.14Å; V454-N483 PolarHBondContact O-N 2.76Å; K481-N483 PolarHBondContact O-N 3.41Å; N483-S673 WeakPolarHBondContact ND2-CB 3.38Å; N483-S673 PolarHBondContact ND2-OG 2.69Å; N483-S673 VanDerWaalsContact ND2-OG 3.1Å; N483-T675 HydrophobicContact CB-CG2 3.95Å; N483-M678 HydrophobicContact CB-CE 4.11Å; N483-M678 WeakPolarHBondContact O-CE 3.4Å; N483-R814 PolarHBondContact O-NH2 3.36Å
484	G	98.1	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.			trans	-154.1	169.4	173.1	0	0	0	0	0	112.1	F810 T815	G484-F810 CarbonylContact C-O 3.54Å; G484-F810 WeakPolarHBondContact CA-O 3.29Å; G484-T815 PolarHBondContact N-OG1 3.04Å
485	I	98.7	Very high	97.7	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.015	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-121.7	149	178.1	59.9	170.7	0	0	0	110.5	P487 W490 M678 K679 L682 F810 S811 S812	I485-P487 WeakPolarHBondContact O-CD 3.47Å; I485-W490 HydrophobicContact CB-CG 4.46Å; I485-W490 HydrophobicContact CD1-CB 4.04Å; I485-W490 HydrophobicContact CD1-CG 4.42Å; I485-M678 HydrophobicContact CD1-CB 3.88Å; I485-M678 HydrophobicContact CG1-CB 4.16Å; I485-M678 HydrophobicContact CG2-CB 4.26Å; I485-M678 HydrophobicContact CG2-SD 4.42Å; I485-K679 HydrophobicContact CB-CG 4.49Å; I485-K679 VanDerWaalsContact CD1-CA 3.48Å; I485-K679 HydrophobicContact CD1-CB 4.05Å; I485-K679 HydrophobicContact CD1-CG 3.55Å; I485-K679 HydrophobicContact CG2-CG 4.01Å; I485-L682 HydrophobicContact CD1-CB 4.5Å; I485-L682 HydrophobicContact CD1-CD2 4.01Å; I485-F810 PolarHBondContact N-O 2.88Å; I485-S811 WeakPolarHBondContact O-CA 3.39Å; I485-S812 VanDerWaalsContact C-OG 3.26Å; I485-S812 PolarHBondContact O-N 3.38Å; I485-S812 PolarHBondContact O-OG 3.03Å
486	T	98.6	Very high	97.8	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	9%	0.087	C	C	.	.			trans	-75.6	122.8	175.9	166.5	0	0	0	0	110.6	C143 D146 R488 R489 W490 S812	C143-T486 HydrophobicContact CB-CG2 4.13Å; D146-T486 HydrophobicContact CB-CG2 4.48Å; D146-T486 VanDerWaalsContact OD2-CB 3.3Å; D146-T486 WeakPolarHBondContact OD2-CB 3.45Å; D146-T486 PolarHBondContact OD2-OG1 3.46Å; T486-R488 PolarHBondContact O-N 3.34Å; T486-R488 PolarHBondContact OG1-N 3.25Å; T486-R488 PolarHBondContact OG1-NE 3.09Å; T486-R488 PolarHBondContact OG1-NH2 3.05Å; T486-R489 HydrophobicContact CG2-CB 3.99Å; T486-W490 WeakPolarHBondContact O-CB 3.48Å; T486-W490 VanDerWaalsContact O-CD1 3.31Å; T486-W490 PolarHBondContact O-N 2.87Å; T486-W490 VanDerWaalsContact O-N 3.09Å; T486-S812 WeakPolarHBondContact CA-OG 3.27Å; T486-S812 PolarHBondContact N-OG 3.28Å; T486-S812 VanDerWaalsContact N-OG 3.17Å
487	P	98.1	Very high	97.9	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.013	6%	0.063	C	C	.	.	H	α-helix	trans	-67	-17.4	174.5	26.6	-35.4	0	0	0	113.1	I485 L491 L492 L514	I485-P487 WeakPolarHBondContact O-CD 3.47Å; P487-L491 WeakPolarHBondContact O-CB 3.46Å; P487-L491 PolarHBondContact O-N 3.48Å; P487-L491 VanDerWaalsContact O-N 3.11Å; P487-L492 PolarHBondContact O-N 2.71Å; P487-L514 HydrophobicContact CB-CD1 3.77Å; P487-L514 HydrophobicContact CB-CD2 4.39Å; P487-L514 HydrophobicContact CG-CD1 4.25Å
488	R	98.4	Very high	97.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-64.6	-49.7	177.9	-74.7	70.4	63.5	-177.7	3.6	110.8	D146 S147 Y234 T486 L492 L493 V511 D813	D146-R488 IonicContact OD2-CZ 3.3Å; D146-R488 IonicContact OD2-NE 3.76Å; D146-R488 PolarHBondContact OD2-NE 2.69Å; D146-R488 IonicContact OD2-NH2 3.04Å; D146-R488 PolarHBondContact OD2-NH2 3.03Å; S147-R488 PolarHBondContact OG-NH2 2.79Å; Y234-R488 HydrophobicContact CD2-CG 3.57Å; Y234-R488 HydrophobicContact CE2-CG 4.27Å; Y234-R488 HydrophobicContact CG-CG 3.83Å; T486-R488 PolarHBondContact O-N 3.34Å; T486-R488 PolarHBondContact OG1-N 3.25Å; T486-R488 PolarHBondContact OG1-NE 3.09Å; T486-R488 PolarHBondContact OG1-NH2 3.05Å; R488-L492 WeakPolarHBondContact O-CB 3.41Å; R488-L493 VanDerWaalsContact O-CB 3.31Å; R488-L493 WeakPolarHBondContact O-CB 3.44Å; R488-L493 PolarHBondContact O-N 2.86Å; R488-V511 HydrophobicContact CG-CG1 4.12Å; R488-V511 PolarHBondContact NH1-O 3.39Å; R488-D813 IonicContact CZ-OD1 3.95Å; R488-D813 IonicContact CZ-OD2 3.71Å; R488-D813 VanDerWaalsContact NH1-CG 3.28Å; R488-D813 IonicContact NH1-OD1 3.6Å; R488-D813 PolarHBondContact NH1-OD1 3.33Å; R488-D813 IonicContact NH1-OD2 3.03Å; R488-D813 PolarHBondContact NH1-OD2 2.86Å; R488-D813 IonicContact NH2-OD1 3.36Å; R488-D813 PolarHBondContact NH2-OD1 2.92Å; R488-D813 IonicContact NH2-OD2 2.8Å
489	R	98.5	Very high	97.9	Very high	7 Å²	7	9.8 Å²	9.8	3%	0.026	6%	0.061	C	C	.	.	I	π-helix	trans	-80.4	-43.7	177.6	-175.3	170.3	-67.6	-94.8	4.4	112.3	R94 T486 L491 L493 C494 E653	R94-R489 PolarHBondContact O-NH1 3.06Å; R94-R489 PolarHBondContact O-NH2 3.09Å; T486-R489 HydrophobicContact CG2-CB 3.99Å; R489-L491 PolarHBondContact O-N 2.81Å; R489-L493 HydrophobicContact CG-CD1 4.39Å; R489-L493 WeakPolarHBondContact O-CB 3.49Å; R489-C494 PolarHBondContact O-N 2.94Å; R489-C494 PolarHBondContact O-SG 3.42Å; R489-C494 VanDerWaalsContact O-SG 3.39Å; R489-E653 VanDerWaalsContact CD-OE1 3.24Å; R489-E653 WeakPolarHBondContact CD-OE1 3.47Å; R489-E653 WeakPolarHBondContact CG-OE1 3.46Å; R489-E653 IonicContact CZ-OE1 3.99Å; R489-E653 IonicContact NE-OE1 3.01Å; R489-E653 IonicContact NH1-OE1 2.94Å; R489-E653 PolarHBondContact NH1-OE1 3.4Å
490	W	98.6	Very high	97.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-92.7	10.5	-167.9	-60.1	111.4	0	0	0	114.7	R139 I485 T486 C494 V649 A652 E653 I656 K679 N683	R139-W490 HydrophobicContact CG-CZ2 4.08Å; I485-W490 HydrophobicContact CB-CG 4.46Å; I485-W490 HydrophobicContact CD1-CB 4.04Å; I485-W490 HydrophobicContact CD1-CG 4.42Å; T486-W490 WeakPolarHBondContact O-CB 3.48Å; T486-W490 VanDerWaalsContact O-CD1 3.31Å; T486-W490 PolarHBondContact O-N 2.87Å; T486-W490 VanDerWaalsContact O-N 3.09Å; W490-C494 PolarHBondContact O-SG 2.89Å; W490-V649 HydrophobicContact CH2-CG1 4.1Å; W490-V649 HydrophobicContact CZ2-CG1 4.39Å; W490-A652 HydrophobicContact CH2-CB 3.94Å; W490-A652 HydrophobicContact CZ3-CB 3.94Å; W490-E653 HydrophobicContact CH2-CG 4.45Å; W490-E653 HydrophobicContact CZ3-CG 4.03Å; W490-I656 HydrophobicContact CE3-CD1 4.09Å; W490-I656 HydrophobicContact CZ3-CD1 3.78Å; W490-K679 HydrophobicContact CB-CG 4.29Å; W490-K679 HydrophobicContact CD2-CD 3.66Å; W490-K679 HydrophobicContact CD2-CG 3.86Å; W490-K679 VanDerWaalsContact CE2-CE 3.44Å; W490-K679 HydrophobicContact CE3-CD 3.72Å; W490-K679 HydrophobicContact CE3-CG 4.11Å; W490-K679 HydrophobicContact CG-CD 4.25Å; W490-K679 HydrophobicContact CG-CG 3.94Å; W490-K679 HydrophobicContact CH2-CD 4.14Å; W490-K679 HydrophobicContact CZ2-CD 4.08Å; W490-K679 HydrophobicContact CZ3-CD 3.96Å; W490-N683 PolarHBondContact O-ND2 3.05Å
491	L	98.4	Very high	97.8	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	5%	0.051	C	C	.	.	I	π-helix	trans	-145.1	-60.6	167.4	175.8	58.7	0	0	0	110.4	P487 R489 L493 N495 L498 A499 I502 Y510 L682	P487-L491 WeakPolarHBondContact O-CB 3.46Å; P487-L491 PolarHBondContact O-N 3.48Å; P487-L491 VanDerWaalsContact O-N 3.11Å; R489-L491 PolarHBondContact O-N 2.81Å; L491-L493 PolarHBondContact O-N 3.1Å; L491-N495 HydrophobicContact CD1-CB 4.36Å; L491-N495 CarbonylContact O-C 3.23Å; L491-N495 WeakPolarHBondContact O-CA 3.27Å; L491-N495 PolarHBondContact O-N 2.77Å; L491-L498 HydrophobicContact CD1-CB 4.21Å; L491-L498 HydrophobicContact CD1-CD2 3.89Å; L491-L498 HydrophobicContact CD1-CG 4.04Å; L491-A499 HydrophobicContact CG-CB 4.33Å; L491-I502 HydrophobicContact CD2-CD1 4.21Å; L491-Y510 HydrophobicContact CD2-CD2 4.44Å; L491-Y510 HydrophobicContact CD2-CE2 3.64Å; L491-L682 HydrophobicContact CB-CD2 3.91Å; L491-L682 HydrophobicContact CB-CG 4.15Å; L491-L682 HydrophobicContact CD2-CD1 3.95Å; L491-L682 HydrophobicContact CD2-CG 4.29Å
492	L	96.6	Very high	97.8	Very high	12 Å²	12	7.9 Å²	7.9	6%	0.063	5%	0.051	C	C	.	.	I	π-helix	trans	-64.2	-40.8	-172.8	-178.4	59.3	0	0	0	113.2	I16 I101 Y234 P487 R488 A499 V511	I16-L492 HydrophobicContact CB-CD1 4.32Å; I16-L492 HydrophobicContact CG2-CD1 3.45Å; I16-L492 VanDerWaalsContact CG2-CD1 3.45Å; I16-L492 HydrophobicContact CG2-CD2 4.41Å; I101-L492 HydrophobicContact CG2-CD2 3.53Å; I101-L492 HydrophobicContact CG2-CG 4.09Å; Y234-L492 HydrophobicContact CE2-CD2 3.68Å; P487-L492 PolarHBondContact O-N 2.71Å; R488-L492 WeakPolarHBondContact O-CB 3.41Å; L492-A499 HydrophobicContact CD1-CB 4.02Å; L492-V511 HydrophobicContact CD2-CG1 4.06Å; L492-V511 HydrophobicContact CD2-CG2 4.4Å
493	L	97.1	Very high	97.8	Very high	7 Å²	7	8.1 Å²	8.1	4%	0.037	5%	0.053	C	C	.	.	I	π-helix	trans	-75.9	-57	176.7	-174.6	158.6	0	0	0	111.9	Q97 N98 I101 R488 R489 L491 E653	Q97-L493 HydrophobicContact CB-CD1 4.12Å; Q97-L493 HydrophobicContact CB-CG 4.42Å; Q97-L493 HydrophobicContact CG-CD1 4.16Å; Q97-L493 HydrophobicContact CG-CG 3.97Å; N98-L493 HydrophobicContact CB-CD1 3.88Å; I101-L493 VanDerWaalsContact CD1-CA 3.49Å; I101-L493 HydrophobicContact CD1-CB 3.42Å; I101-L493 VanDerWaalsContact CD1-CB 3.42Å; I101-L493 HydrophobicContact CD1-CD1 4.03Å; I101-L493 HydrophobicContact CD1-CG 3.74Å; R488-L493 VanDerWaalsContact O-CB 3.31Å; R488-L493 WeakPolarHBondContact O-CB 3.44Å; R488-L493 PolarHBondContact O-N 2.86Å; R489-L493 HydrophobicContact CG-CD1 4.39Å; R489-L493 WeakPolarHBondContact O-CB 3.49Å; L491-L493 PolarHBondContact O-N 3.1Å; L493-E653 HydrophobicContact CD2-CG 4.39Å
494	C	97.8	Very high	97.7	Very high	16 Å²	16	14.1 Å²	14.1	11%	0.108	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.9	-169.4	66.9	0	0	0	0	114.5	R489 W490 E653 P657	R489-C494 PolarHBondContact O-N 2.94Å; R489-C494 PolarHBondContact O-SG 3.42Å; R489-C494 VanDerWaalsContact O-SG 3.39Å; W490-C494 PolarHBondContact O-SG 2.89Å; C494-E653 HydrophobicContact CB-CB 4.01Å; C494-E653 HydrophobicContact CB-CG 4.24Å; C494-E653 WeakPolarHBondContact CB-O 3.5Å; C494-P657 HydrophobicContact CB-CG 4.11Å; C494-P657 VanDerWaalsContact O-CG 3.31Å; C494-P657 WeakPolarHBondContact O-CG 3.24Å
495	N	98.3	Very high	97.6	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.094	C	C	.	.			trans	-138.2	62.4	-176.6	-165	-3.1	0	0	0	111.6	L491 G497 L498 A499 N540 P657 N683	L491-N495 HydrophobicContact CD1-CB 4.36Å; L491-N495 CarbonylContact O-C 3.23Å; L491-N495 WeakPolarHBondContact O-CA 3.27Å; L491-N495 PolarHBondContact O-N 2.77Å; N495-G497 PolarHBondContact O-N 2.78Å; N495-L498 HydrophobicContact CB-CB 4.37Å; N495-L498 VanDerWaalsContact CG-CB 3.44Å; N495-L498 WeakPolarHBondContact ND2-CB 3.46Å; N495-L498 WeakPolarHBondContact ND2-CD2 3.46Å; N495-L498 PolarHBondContact O-N 3.48Å; N495-L498 VanDerWaalsContact O-N 3.17Å; N495-L498 WeakPolarHBondContact OD1-CB 3.39Å; N495-L498 PolarHBondContact OD1-N 3.12Å; N495-A499 PolarHBondContact O-N 2.77Å; N495-N540 PolarHBondContact OD1-ND2 3.13Å; N495-P657 HydrophobicContact CB-CB 4.09Å; N495-P657 HydrophobicContact CB-CG 4.13Å; N495-N683 WeakPolarHBondContact CB-OD1 3.39Å; N495-N683 PolarHBondContact ND2-OD1 2.71Å
496	P	96.1	Very high	97.5	Very high	30 Å²	30	17.3 Å²	17.3	20%	0.195	10%	0.099	C	C	.	.	H	α-helix	trans	-62.8	-28	-175.3	27	-36.5	0	0	0	112.9	I14 R17 E500	I14-P496 HydrophobicContact CD1-CB 4.2Å; R17-P496 VanDerWaalsContact NH2-CB 3.32Å; P496-E500 WeakPolarHBondContact O-CB 3.4Å; P496-E500 PolarHBondContact O-N 3.44Å
497	G	96.9	Very high	97.4	Very high	31 Å²	31	18.8 Å²	18.8	32%	0.32	12%	0.115	S	C	.	.	H	α-helix	trans	-64.6	-45.8	175.1	0	0	0	0	0	112.4	N495 E500 L501 I536	N495-G497 PolarHBondContact O-N 2.78Å; G497-E500 PolarHBondContact O-N 2.89Å; G497-L501 PolarHBondContact O-N 2.9Å; G497-L501 VanDerWaalsContact O-N 3.16Å; G497-I536 WeakPolarHBondContact O-CD1 3.36Å
498	L	98.4	Very high	97.2	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-68.2	-40.5	176.1	-178	60.4	0	0	0	111.5	L491 N495 E500 L501 I502 I536 I804	L491-L498 HydrophobicContact CD1-CB 4.21Å; L491-L498 HydrophobicContact CD1-CD2 3.89Å; L491-L498 HydrophobicContact CD1-CG 4.04Å; N495-L498 HydrophobicContact CB-CB 4.37Å; N495-L498 VanDerWaalsContact CG-CB 3.44Å; N495-L498 WeakPolarHBondContact ND2-CB 3.46Å; N495-L498 WeakPolarHBondContact ND2-CD2 3.46Å; N495-L498 PolarHBondContact O-N 3.48Å; N495-L498 VanDerWaalsContact O-N 3.17Å; N495-L498 WeakPolarHBondContact OD1-CB 3.39Å; N495-L498 PolarHBondContact OD1-N 3.12Å; L498-E500 VanDerWaalsContact C-N 3.33Å; L498-E500 PolarHBondContact O-N 2.88Å; L498-L501 PolarHBondContact O-N 3.16Å; L498-I502 HydrophobicContact CD1-CD1 4.24Å; L498-I502 HydrophobicContact CD1-CG1 4.42Å; L498-I502 HydrophobicContact CG-CD1 3.98Å; L498-I502 VanDerWaalsContact O-CG1 3.28Å; L498-I502 WeakPolarHBondContact O-CG1 3.5Å; L498-I502 PolarHBondContact O-N 2.81Å; L498-I536 HydrophobicContact CB-CG2 4.06Å; L498-I804 HydrophobicContact CD1-CD1 4.26Å; L498-I804 HydrophobicContact CD2-CD1 4.15Å
499	A	97.9	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-55.6	-49.5	175.4	0	0	0	0	0	111.1	I16 L491 L492 N495 I502 A503 Y510	I16-A499 HydrophobicContact CD1-CB 3.94Å; I16-A499 WeakPolarHBondContact CD1-O 3.45Å; L491-A499 HydrophobicContact CG-CB 4.33Å; L492-A499 HydrophobicContact CD1-CB 4.02Å; N495-A499 PolarHBondContact O-N 2.77Å; A499-I502 WeakPolarHBondContact O-CB 3.16Å; A499-I502 PolarHBondContact O-N 2.9Å; A499-A503 PolarHBondContact O-N 2.8Å; A499-Y510 VanDerWaalsContact CA-OH 3.29Å; A499-Y510 WeakPolarHBondContact CA-OH 3.3Å; A499-Y510 VanDerWaalsContact CB-OH 3.3Å; A499-Y510 WeakPolarHBondContact CB-OH 3.42Å; A499-Y510 PolarHBondContact O-OH 3.04Å
500	E	95.4	Very high	96.9	Very high	23 Å²	23	27.6 Å²	27.6	11%	0.107	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-48.9	178.9	-170	65.5	-176.6	0	0	112.4	I14 S15 I16 P496 G497 L498 I502 A503 E504	I14-E500 HydrophobicContact CG2-CB 4.01Å; I14-E500 HydrophobicContact CG2-CG 4.08Å; I14-E500 WeakPolarHBondContact CG2-OE2 3.43Å; S15-E500 VanDerWaalsContact CB-OE1 3.29Å; S15-E500 WeakPolarHBondContact CB-OE1 3.45Å; S15-E500 PolarHBondContact N-OE1 3.22Å; S15-E500 PolarHBondContact N-OE2 2.94Å; S15-E500 PolarHBondContact OG-OE1 3.23Å; S15-E500 PolarHBondContact OG-OE2 3.18Å; I16-E500 HydrophobicContact CD1-CB 4.3Å; I16-E500 VanDerWaalsContact CD1-N 3.32Å; I16-E500 WeakPolarHBondContact CD1-OE2 3.49Å; I16-E500 WeakPolarHBondContact CG1-OE2 3.31Å; I16-E500 PolarHBondContact N-OE2 2.77Å; P496-E500 WeakPolarHBondContact O-CB 3.4Å; P496-E500 PolarHBondContact O-N 3.44Å; G497-E500 PolarHBondContact O-N 2.89Å; L498-E500 VanDerWaalsContact C-N 3.33Å; L498-E500 PolarHBondContact O-N 2.88Å; E500-I502 PolarHBondContact O-N 2.96Å; E500-A503 PolarHBondContact O-N 2.9Å; E500-E504 WeakPolarHBondContact O-CG 3.34Å; E500-E504 PolarHBondContact O-N 2.98Å
501	L	97.9	Very high	96.7	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-58.6	-37.6	179.2	179.4	62.8	0	0	0	111.8	G497 L498 F529 D532 V533 I536	G497-L501 PolarHBondContact O-N 2.9Å; G497-L501 VanDerWaalsContact O-N 3.16Å; L498-L501 PolarHBondContact O-N 3.16Å; L501-F529 HydrophobicContact CD1-CD2 4.09Å; L501-F529 HydrophobicContact CD1-CE2 4.13Å; L501-F529 HydrophobicContact CD2-CD2 4.29Å; L501-F529 HydrophobicContact CD2-CE2 4.02Å; L501-F529 HydrophobicContact CG-CD2 4.14Å; L501-F529 HydrophobicContact CG-CE2 3.73Å; L501-D532 HydrophobicContact CD1-CB 3.94Å; L501-D532 HydrophobicContact CD2-CB 3.86Å; L501-V533 HydrophobicContact CD2-CB 4.42Å; L501-V533 HydrophobicContact CD2-CG2 3.64Å; L501-I536 HydrophobicContact CB-CD1 3.66Å; L501-I536 HydrophobicContact CD2-CD1 3.49Å; L501-I536 VanDerWaalsContact CD2-CD1 3.49Å; L501-I536 HydrophobicContact CG-CD1 4.18Å
502	I	98.1	Very high	96.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-46.1	174.3	-67.7	168.5	0	0	0	110.3	L491 L498 A499 E500 E504 V505 I506 Y510 L517 L520 I804	L491-I502 HydrophobicContact CD2-CD1 4.21Å; L498-I502 HydrophobicContact CD1-CD1 4.24Å; L498-I502 HydrophobicContact CD1-CG1 4.42Å; L498-I502 HydrophobicContact CG-CD1 3.98Å; L498-I502 VanDerWaalsContact O-CG1 3.28Å; L498-I502 WeakPolarHBondContact O-CG1 3.5Å; L498-I502 PolarHBondContact O-N 2.81Å; A499-I502 WeakPolarHBondContact O-CB 3.16Å; A499-I502 PolarHBondContact O-N 2.9Å; E500-I502 PolarHBondContact O-N 2.96Å; I502-E504 VanDerWaalsContact C-N 3.32Å; I502-E504 PolarHBondContact O-N 3.16Å; I502-V505 WeakPolarHBondContact O-CG2 3.1Å; I502-V505 PolarHBondContact O-N 3.2Å; I502-I506 HydrophobicContact CG2-CD1 3.64Å; I502-I506 HydrophobicContact CG2-CG1 3.69Å; I502-I506 WeakPolarHBondContact O-CG1 3.49Å; I502-I506 PolarHBondContact O-N 3.04Å; I502-Y510 HydrophobicContact CB-CE1 4.29Å; I502-Y510 HydrophobicContact CG2-CD1 3.77Å; I502-Y510 HydrophobicContact CG2-CD2 4.43Å; I502-Y510 HydrophobicContact CG2-CE1 3.68Å; I502-Y510 HydrophobicContact CG2-CE2 4.37Å; I502-Y510 HydrophobicContact CG2-CG 4.16Å; I502-L517 HydrophobicContact CD1-CD2 4.18Å; I502-L517 HydrophobicContact CG2-CD2 3.65Å; I502-L520 HydrophobicContact CD1-CD1 4.31Å; I502-L520 HydrophobicContact CG1-CD1 4.06Å; I502-L520 HydrophobicContact CG2-CD1 4.5Å; I502-L520 HydrophobicContact CG2-CD2 4.44Å; I502-I804 HydrophobicContact CD1-CG2 4.15Å
503	A	96.8	Very high	96.3	Very high	10 Å²	10	34 Å²	34	8%	0.083	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-34.2	179.7	0	0	0	0	0	113.5	I16 A499 E500 V505 G507 E508 Y510	I16-A503 HydrophobicContact CD1-CB 3.49Å; I16-A503 VanDerWaalsContact CD1-CB 3.49Å; I16-A503 HydrophobicContact CG1-CB 3.49Å; I16-A503 VanDerWaalsContact CG1-CB 3.49Å; A499-A503 PolarHBondContact O-N 2.8Å; E500-A503 PolarHBondContact O-N 2.9Å; A503-V505 PolarHBondContact O-N 3.42Å; A503-G507 WeakPolarHBondContact CA-O 3.45Å; A503-G507 VanDerWaalsContact O-CA 3.23Å; A503-G507 WeakPolarHBondContact O-CA 3Å; A503-G507 PolarHBondContact O-N 2.87Å; A503-E508 HydrophobicContact CB-CG 4.1Å; A503-Y510 HydrophobicContact CB-CE1 4.27Å
504	E	96.3	Very high	96.4	Very high	135 Å²	135	33.9 Å²	33.9	63%	0.631	19%	0.19	S	C	*	.	H	α-helix	trans	-58.2	-34	175.9	-75	179.6	177.5	0	0	112.3	E500 I502	E500-E504 WeakPolarHBondContact O-CG 3.34Å; E500-E504 PolarHBondContact O-N 2.98Å; I502-E504 VanDerWaalsContact C-N 3.32Å; I502-E504 PolarHBondContact O-N 3.16Å
505	V	96.9	Very high	96.4	Very high	45 Å²	45	35.8 Å²	35.8	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-97.3	-31.7	-176.7	-64.6	0	0	0	0	114.2	I502 A503 L520 F523 F529	I502-V505 WeakPolarHBondContact O-CG2 3.1Å; I502-V505 PolarHBondContact O-N 3.2Å; A503-V505 PolarHBondContact O-N 3.42Å; V505-L520 HydrophobicContact CG2-CD2 3.63Å; V505-F523 HydrophobicContact CB-CD2 4.48Å; V505-F523 HydrophobicContact CB-CE1 4.13Å; V505-F523 HydrophobicContact CB-CE2 4.05Å; V505-F523 HydrophobicContact CB-CZ 3.86Å; V505-F523 HydrophobicContact CG1-CD1 4.29Å; V505-F523 HydrophobicContact CG1-CE1 4.05Å; V505-F523 HydrophobicContact CG1-CZ 4.29Å; V505-F529 HydrophobicContact CG1-CD2 4.06Å; V505-F529 HydrophobicContact CG1-CE2 4.14Å; V505-F529 HydrophobicContact CG2-CE2 3.86Å; V505-F529 HydrophobicContact CG2-CZ 4.43Å
506	I	97	Very high	96.4	Very high	24 Å²	24	37.4 Å²	37.4	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-127.4	1.2	-173.9	63.7	156.9	0	0	0	115.2	I502 Y510 L517 K519 L520 F523	I502-I506 HydrophobicContact CG2-CD1 3.64Å; I502-I506 HydrophobicContact CG2-CG1 3.69Å; I502-I506 WeakPolarHBondContact O-CG1 3.49Å; I502-I506 PolarHBondContact O-N 3.04Å; I506-Y510 HydrophobicContact CD1-CD1 4.41Å; I506-L517 HydrophobicContact CD1-CD2 4.13Å; I506-K519 HydrophobicContact CB-CB 4.44Å; I506-K519 HydrophobicContact CB-CD 4.21Å; I506-K519 HydrophobicContact CG2-CB 3.57Å; I506-K519 HydrophobicContact CG2-CD 4.13Å; I506-L520 HydrophobicContact CD1-CD2 4.41Å; I506-L520 HydrophobicContact CG1-CD2 4.42Å; I506-L520 HydrophobicContact CG2-CD2 4.14Å; I506-F523 HydrophobicContact CG2-CE2 4.4Å
507	G	95.8	Very high	96.5	Very high	32 Å²	32	36 Å²	36	33%	0.33	20%	0.202	S	C	.	.			trans	81.1	178.7	-176.4	0	0	0	0	0	113.7	A503 Y510	A503-G507 WeakPolarHBondContact CA-O 3.45Å; A503-G507 VanDerWaalsContact O-CA 3.23Å; A503-G507 WeakPolarHBondContact O-CA 3Å; A503-G507 PolarHBondContact O-N 2.87Å; G507-Y510 VanDerWaalsContact O-CD1 3.23Å; G507-Y510 WeakPolarHBondContact O-CD1 3.44Å
508	E	94.6	Very high	96.6	Very high	80 Å²	80	39.8 Å²	39.8	37%	0.374	21%	0.21	S	C	.	.	S	Bend	trans	-90.5	-9.7	-170.6	-57.5	-174.9	-175	0	0	115	I16 A503 Y510 V511	I16-E508 WeakPolarHBondContact CA-OE1 3.31Å; I16-E508 HydrophobicContact CG1-CG 4.1Å; A503-E508 HydrophobicContact CB-CG 4.1Å; E508-Y510 PolarHBondContact O-N 2.67Å; E508-V511 PolarHBondContact O-N 3.26Å
509	D	93.8	Very high	96.6	Very high	112 Å²	112	44 Å²	44	60%	0.599	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-63.6	-19.4	-172.7	-72.5	-31.8	0	0	0	113.1	V511 K512 D513 Q516	D509-V511 PolarHBondContact O-N 2.58Å; D509-V511 VanDerWaalsContact O-N 3.09Å; D509-K512 PolarHBondContact O-N 2.89Å; D509-D513 PolarHBondContact O-N 2.89Å; D509-Q516 VanDerWaalsContact CB-NE2 3.33Å
510	Y	96.1	Very high	96.6	Very high	2 Å²	2	44 Å²	44	1%	0.008	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59.8	-22.6	178.4	79.3	-91.4	0	0	0	113.4	L491 A499 I502 A503 I506 G507 E508 K512 D513 L514 L517	L491-Y510 HydrophobicContact CD2-CD2 4.44Å; L491-Y510 HydrophobicContact CD2-CE2 3.64Å; A499-Y510 VanDerWaalsContact CA-OH 3.29Å; A499-Y510 WeakPolarHBondContact CA-OH 3.3Å; A499-Y510 VanDerWaalsContact CB-OH 3.3Å; A499-Y510 WeakPolarHBondContact CB-OH 3.42Å; A499-Y510 PolarHBondContact O-OH 3.04Å; I502-Y510 HydrophobicContact CB-CE1 4.29Å; I502-Y510 HydrophobicContact CG2-CD1 3.77Å; I502-Y510 HydrophobicContact CG2-CD2 4.43Å; I502-Y510 HydrophobicContact CG2-CE1 3.68Å; I502-Y510 HydrophobicContact CG2-CE2 4.37Å; I502-Y510 HydrophobicContact CG2-CG 4.16Å; A503-Y510 HydrophobicContact CB-CE1 4.27Å; I506-Y510 HydrophobicContact CD1-CD1 4.41Å; G507-Y510 VanDerWaalsContact O-CD1 3.23Å; G507-Y510 WeakPolarHBondContact O-CD1 3.44Å; E508-Y510 PolarHBondContact O-N 2.67Å; Y510-K512 PolarHBondContact O-N 3.01Å; Y510-D513 VanDerWaalsContact CA-O 3.3Å; Y510-D513 WeakPolarHBondContact CA-O 3.46Å; Y510-D513 CarbonylContact O-C 3.52Å; Y510-D513 PolarHBondContact O-N 3.43Å; Y510-L514 HydrophobicContact CD2-CD1 4.18Å; Y510-L514 WeakPolarHBondContact O-CA 3.39Å; Y510-L514 PolarHBondContact O-N 2.78Å; Y510-L514 VanDerWaalsContact O-N 3.17Å; Y510-L517 HydrophobicContact CD2-CD2 3.85Å; Y510-L517 HydrophobicContact CG-CD2 4.03Å
511	V	94.4	Very high	96.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-66.7	-28.1	178.8	-176.3	0	0	0	0	111.6	Y234 R488 L492 E508 D509	Y234-V511 HydrophobicContact CD1-CG1 3.87Å; Y234-V511 HydrophobicContact CD2-CG1 4.33Å; Y234-V511 HydrophobicContact CE1-CB 3.84Å; Y234-V511 HydrophobicContact CE1-CG1 3.42Å; Y234-V511 VanDerWaalsContact CE1-CG1 3.42Å; Y234-V511 HydrophobicContact CE2-CG1 3.94Å; Y234-V511 HydrophobicContact CG-CG1 4.31Å; Y234-V511 VanDerWaalsContact CZ-CG1 3.46Å; R488-V511 HydrophobicContact CG-CG1 4.12Å; R488-V511 PolarHBondContact NH1-O 3.39Å; L492-V511 HydrophobicContact CD2-CG1 4.06Å; L492-V511 HydrophobicContact CD2-CG2 4.4Å; E508-V511 PolarHBondContact O-N 3.26Å; D509-V511 PolarHBondContact O-N 2.58Å; D509-V511 VanDerWaalsContact O-N 3.09Å
512	K	91.2	Very high	96.7	Very high	76 Å²	76	52.6 Å²	52.6	33%	0.33	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-25.7	174.6	-67.2	-177.3	177.7	-178.7	0	112.9	Y234 D509 Y510	Y234-K512 HydrophobicContact CD1-CD 4.42Å; Y234-K512 HydrophobicContact CD1-CG 3.82Å; Y234-K512 HydrophobicContact CE1-CG 4.22Å; D509-K512 PolarHBondContact O-N 2.89Å; Y510-K512 PolarHBondContact O-N 3.01Å
513	D	96.3	Very high	96.7	Very high	71 Å²	71	55.1 Å²	55.1	38%	0.38	29%	0.285	S	S	.	.			trans	-133.2	86.5	177.4	178.2	16.3	0	0	0	111	D509 Y510 S515 Q516	D509-D513 PolarHBondContact O-N 2.89Å; Y510-D513 VanDerWaalsContact CA-O 3.3Å; Y510-D513 WeakPolarHBondContact CA-O 3.46Å; Y510-D513 CarbonylContact O-C 3.52Å; Y510-D513 PolarHBondContact O-N 3.43Å; D513-S515 VanDerWaalsContact CG-OG 3.26Å; D513-S515 PolarHBondContact O-N 3.24Å; D513-S515 VanDerWaalsContact OD1-CB 3.29Å; D513-S515 WeakPolarHBondContact OD1-CB 3.43Å; D513-S515 PolarHBondContact OD1-N 2.99Å; D513-S515 PolarHBondContact OD1-OG 3.21Å; D513-S515 PolarHBondContact OD2-OG 3.46Å; D513-Q516 HydrophobicContact CB-CG 4.37Å; D513-Q516 WeakPolarHBondContact O-CB 3.43Å; D513-Q516 WeakPolarHBondContact O-CG 3.36Å; D513-Q516 PolarHBondContact O-N 3.35Å; D513-Q516 VanDerWaalsContact O-N 3.12Å
514	L	98	Very high	96.7	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-63.4	-15.4	-176.2	-156.2	65.9	0	0	0	113	P487 Y510 Q516 L517 L682 G808	P487-L514 HydrophobicContact CB-CD1 3.77Å; P487-L514 HydrophobicContact CB-CD2 4.39Å; P487-L514 HydrophobicContact CG-CD1 4.25Å; Y510-L514 HydrophobicContact CD2-CD1 4.18Å; Y510-L514 WeakPolarHBondContact O-CA 3.39Å; Y510-L514 PolarHBondContact O-N 2.78Å; Y510-L514 VanDerWaalsContact O-N 3.17Å; L514-Q516 PolarHBondContact O-N 3.3Å; L514-L517 HydrophobicContact CD1-CD1 3.52Å; L514-L517 HydrophobicContact CD1-CG 4.01Å; L514-L517 HydrophobicContact CG-CD1 3.8Å; L514-L517 HydrophobicContact CG-CG 4.3Å; L514-L517 WeakPolarHBondContact O-CB 3.26Å; L514-L517 WeakPolarHBondContact O-CG 3.45Å; L514-L517 PolarHBondContact O-N 3.21Å; L514-L682 HydrophobicContact CD1-CD1 4.27Å; L514-L682 HydrophobicContact CD2-CD1 4.32Å; L514-G808 VanDerWaalsContact O-CA 3.23Å; L514-G808 WeakPolarHBondContact O-CA 3.45Å
515	S	97.8	Very high	96.8	Very high	57 Å²	57	54.6 Å²	54.6	40%	0.399	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-61.9	-23	175.8	78.6	0	0	0	0	112.8	D513 L517 K518	D513-S515 VanDerWaalsContact CG-OG 3.26Å; D513-S515 PolarHBondContact O-N 3.24Å; D513-S515 VanDerWaalsContact OD1-CB 3.29Å; D513-S515 WeakPolarHBondContact OD1-CB 3.43Å; D513-S515 PolarHBondContact OD1-N 2.99Å; D513-S515 PolarHBondContact OD1-OG 3.21Å; D513-S515 PolarHBondContact OD2-OG 3.46Å; S515-L517 PolarHBondContact O-N 3.23Å; S515-K518 PolarHBondContact O-N 2.96Å
516	Q	98.3	Very high	96.8	Very high	35 Å²	35	55.7 Å²	55.7	16%	0.164	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-65.1	-18.4	177.1	-63.5	-161.9	43.8	0	0	114	D509 D513 L514 K518 K519	D509-Q516 VanDerWaalsContact CB-NE2 3.33Å; D513-Q516 HydrophobicContact CB-CG 4.37Å; D513-Q516 WeakPolarHBondContact O-CB 3.43Å; D513-Q516 WeakPolarHBondContact O-CG 3.36Å; D513-Q516 PolarHBondContact O-N 3.35Å; D513-Q516 VanDerWaalsContact O-N 3.12Å; L514-Q516 PolarHBondContact O-N 3.3Å; Q516-K518 PolarHBondContact O-N 2.87Å; Q516-K518 VanDerWaalsContact O-N 3.07Å; Q516-K519 WeakPolarHBondContact O-CB 3.41Å; Q516-K519 WeakPolarHBondContact O-CG 3.5Å; Q516-K519 PolarHBondContact O-N 3.03Å
517	L	98.6	Very high	96.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-58.4	-21.2	174.7	-65.9	-174.3	0	0	0	112.6	I502 I506 Y510 L514 S515 K519 L520 L682 I804 A805 T807	I502-L517 HydrophobicContact CD1-CD2 4.18Å; I502-L517 HydrophobicContact CG2-CD2 3.65Å; I506-L517 HydrophobicContact CD1-CD2 4.13Å; Y510-L517 HydrophobicContact CD2-CD2 3.85Å; Y510-L517 HydrophobicContact CG-CD2 4.03Å; L514-L517 HydrophobicContact CD1-CD1 3.52Å; L514-L517 HydrophobicContact CD1-CG 4.01Å; L514-L517 HydrophobicContact CG-CD1 3.8Å; L514-L517 HydrophobicContact CG-CG 4.3Å; L514-L517 WeakPolarHBondContact O-CB 3.26Å; L514-L517 WeakPolarHBondContact O-CG 3.45Å; L514-L517 PolarHBondContact O-N 3.21Å; S515-L517 PolarHBondContact O-N 3.23Å; L517-K519 PolarHBondContact O-N 2.8Å; L517-K519 VanDerWaalsContact O-N 3.09Å; L517-L520 HydrophobicContact CD2-CD1 4.13Å; L517-L520 VanDerWaalsContact O-CB 3.27Å; L517-L520 WeakPolarHBondContact O-CB 3.34Å; L517-L520 VanDerWaalsContact O-CG 3.3Å; L517-L520 WeakPolarHBondContact O-CG 3.45Å; L517-L520 PolarHBondContact O-N 2.83Å; L517-L682 HydrophobicContact CD1-CD1 3.75Å; L517-I804 HydrophobicContact CD1-CG2 4.47Å; L517-A805 CarbonylContact C-O 3.58Å; L517-A805 VanDerWaalsContact O-CA 3.3Å; L517-A805 WeakPolarHBondContact O-CA 3.5Å; L517-A805 WeakPolarHBondContact O-CB 3.5Å; L517-T807 VanDerWaalsContact CD1-OG1 3.27Å; L517-T807 WeakPolarHBondContact CD1-OG1 3.22Å
518	K	98.2	Very high	97	Very high	111 Å²	111	61.3 Å²	61.3	48%	0.483	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-56.3	-25.7	173.3	-71.8	-175.5	175.7	-173.4	0	113.4	S515 Q516 L520 N521 E701 A805	S515-K518 PolarHBondContact O-N 2.96Å; Q516-K518 PolarHBondContact O-N 2.87Å; Q516-K518 VanDerWaalsContact O-N 3.07Å; K518-L520 PolarHBondContact O-N 2.95Å; K518-N521 WeakPolarHBondContact O-CB 3.37Å; K518-N521 PolarHBondContact O-N 3.43Å; K518-N521 PolarHBondContact O-ND2 3.26Å; K518-E701 IonicContact NZ-OE2 2.73Å; K518-A805 WeakPolarHBondContact CA-O 3.44Å; K518-A805 WeakPolarHBondContact CG-O 3.36Å; K518-A805 PolarHBondContact N-O 2.95Å
519	K	98.4	Very high	97.1	Very high	93 Å²	93	58 Å²	58	40%	0.404	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-63.2	-21.6	174.8	-65.4	172.1	-179	172.1	0	113	I506 Q516 L517 N521 D522	I506-K519 HydrophobicContact CB-CB 4.44Å; I506-K519 HydrophobicContact CB-CD 4.21Å; I506-K519 HydrophobicContact CG2-CB 3.57Å; I506-K519 HydrophobicContact CG2-CD 4.13Å; Q516-K519 WeakPolarHBondContact O-CB 3.41Å; Q516-K519 WeakPolarHBondContact O-CG 3.5Å; Q516-K519 PolarHBondContact O-N 3.03Å; L517-K519 PolarHBondContact O-N 2.8Å; L517-K519 VanDerWaalsContact O-N 3.09Å; K519-N521 PolarHBondContact O-N 2.88Å; K519-D522 PolarHBondContact O-N 3.48Å
520	L	98.4	Very high	97.4	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-65.5	-16.9	177	-61.3	179.5	0	0	0	113.1	I502 V505 I506 L517 K518 D522 F523 V524 F529 I801 I804 A805	I502-L520 HydrophobicContact CD1-CD1 4.31Å; I502-L520 HydrophobicContact CG1-CD1 4.06Å; I502-L520 HydrophobicContact CG2-CD1 4.5Å; I502-L520 HydrophobicContact CG2-CD2 4.44Å; V505-L520 HydrophobicContact CG2-CD2 3.63Å; I506-L520 HydrophobicContact CD1-CD2 4.41Å; I506-L520 HydrophobicContact CG1-CD2 4.42Å; I506-L520 HydrophobicContact CG2-CD2 4.14Å; L517-L520 HydrophobicContact CD2-CD1 4.13Å; L517-L520 VanDerWaalsContact O-CB 3.27Å; L517-L520 WeakPolarHBondContact O-CB 3.34Å; L517-L520 VanDerWaalsContact O-CG 3.3Å; L517-L520 WeakPolarHBondContact O-CG 3.45Å; L517-L520 PolarHBondContact O-N 2.83Å; K518-L520 PolarHBondContact O-N 2.95Å; L520-D522 PolarHBondContact O-N 2.96Å; L520-F523 PolarHBondContact O-N 3.27Å; L520-V524 PolarHBondContact O-N 2.99Å; L520-F529 HydrophobicContact CD2-CZ 3.85Å; L520-I801 HydrophobicContact CB-CG2 4.49Å; L520-I804 HydrophobicContact CD1-CG2 3.78Å; L520-A805 HydrophobicContact CB-CB 3.99Å
521	N	97.8	Very high	97.5	Very high	74 Å²	74	60.3 Å²	60.3	40%	0.396	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-59.7	-29.6	173.3	-74	-54.5	0	0	0	112.6	K518 K519 F523 V524	K518-N521 WeakPolarHBondContact O-CB 3.37Å; K518-N521 PolarHBondContact O-N 3.43Å; K518-N521 PolarHBondContact O-ND2 3.26Å; K519-N521 PolarHBondContact O-N 2.88Å; N521-F523 PolarHBondContact O-N 3.44Å; N521-V524 VanDerWaalsContact O-CG1 3.3Å; N521-V524 WeakPolarHBondContact O-CG1 3.33Å; N521-V524 PolarHBondContact O-N 3.02Å
522	D	97.9	Very high	97.7	Very high	139 Å²	139	62.4 Å²	62.4	74%	0.743	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-67.4	-19.3	177.8	-63.6	-25.8	0	0	0	112.3	K519 L520	K519-D522 PolarHBondContact O-N 3.48Å; L520-D522 PolarHBondContact O-N 2.96Å
523	F	97.9	Very high	98	Very high	54 Å²	54	59.2 Å²	59.2	24%	0.237	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-104.7	3.6	-178	-59.8	-89.9	0	0	0	113.2	V505 I506 L520 N521 N525 D526 F529	V505-F523 HydrophobicContact CB-CD2 4.48Å; V505-F523 HydrophobicContact CB-CE1 4.13Å; V505-F523 HydrophobicContact CB-CE2 4.05Å; V505-F523 HydrophobicContact CB-CZ 3.86Å; V505-F523 HydrophobicContact CG1-CD1 4.29Å; V505-F523 HydrophobicContact CG1-CE1 4.05Å; V505-F523 HydrophobicContact CG1-CZ 4.29Å; I506-F523 HydrophobicContact CG2-CE2 4.4Å; L520-F523 PolarHBondContact O-N 3.27Å; N521-F523 PolarHBondContact O-N 3.44Å; F523-N525 PolarHBondContact O-N 3.48Å; F523-N525 VanDerWaalsContact O-N 3.12Å; F523-D526 HydrophobicContact CB-CB 4.34Å; F523-D526 HydrophobicContact CD1-CB 4.45Å; F523-D526 WeakPolarHBondContact O-CB 3.44Å; F523-D526 PolarHBondContact O-N 3.34Å; F523-F529 HydrophobicContact CB-CB 4.22Å; F523-F529 HydrophobicContact CB-CD1 3.61Å; F523-F529 HydrophobicContact CB-CE1 4.09Å; F523-F529 HydrophobicContact CB-CG 3.88Å
524	V	97.6	Very high	98.1	Very high	18 Å²	18	57.7 Å²	57.7	11%	0.109	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.5	-177.5	76.8	0	0	0	0	113.1	L520 N521 I530 K798 I801 K802	L520-V524 PolarHBondContact O-N 2.99Å; N521-V524 VanDerWaalsContact O-CG1 3.3Å; N521-V524 WeakPolarHBondContact O-CG1 3.33Å; N521-V524 PolarHBondContact O-N 3.02Å; V524-I530 WeakPolarHBondContact O-CD1 3.4Å; V524-K798 HydrophobicContact CG2-CB 4.07Å; V524-K798 HydrophobicContact CG2-CG 4.34Å; V524-K798 WeakPolarHBondContact O-CG 3.46Å; V524-I801 HydrophobicContact CB-CG2 4.39Å; V524-I801 HydrophobicContact CG2-CB 4.5Å; V524-I801 HydrophobicContact CG2-CG2 4.34Å; V524-K802 HydrophobicContact CG2-CG 3.96Å
525	N	97.6	Very high	98.1	Very high	116 Å²	116	62.9 Å²	62.9	62%	0.62	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	4.7	176.6	-66.2	-53.4	0	0	0	113	F523 L527	F523-N525 PolarHBondContact O-N 3.48Å; F523-N525 VanDerWaalsContact O-N 3.12Å; N525-L527 PolarHBondContact O-N 3.06Å
526	D	98.2	Very high	98.2	Very high	68 Å²	68	61.3 Å²	61.3	36%	0.364	31%	0.309	S	S	.	.			trans	-78.2	114.4	176.1	-174.5	-55.9	0	0	0	109.6	F523 A528 F529 I530	F523-D526 HydrophobicContact CB-CB 4.34Å; F523-D526 HydrophobicContact CD1-CB 4.45Å; F523-D526 WeakPolarHBondContact O-CB 3.44Å; F523-D526 PolarHBondContact O-N 3.34Å; D526-A528 VanDerWaalsContact C-N 3.29Å; D526-A528 PolarHBondContact O-N 3.49Å; D526-A528 WeakPolarHBondContact OD1-CA 3.3Å; D526-A528 VanDerWaalsContact OD1-CB 3.32Å; D526-A528 WeakPolarHBondContact OD1-CB 3.29Å; D526-A528 PolarHBondContact OD1-N 3.29Å; D526-F529 HydrophobicContact CB-CB 3.91Å; D526-F529 PolarHBondContact O-N 2.74Å; D526-F529 PolarHBondContact OD1-N 2.9Å; D526-I530 WeakPolarHBondContact O-CB 3.34Å; D526-I530 WeakPolarHBondContact O-CD1 3.29Å; D526-I530 VanDerWaalsContact O-CG1 3.23Å; D526-I530 WeakPolarHBondContact O-CG1 3.5Å; D526-I530 PolarHBondContact O-N 3.39Å
527	L	97.6	Very high	98.2	Very high	131 Å²	131	60.8 Å²	60.8	69%	0.686	31%	0.306	S	S	*	.	H	α-helix	trans	-65.8	-29.4	-176.8	-66.7	175.3	0	0	0	113.5	N525 I530 R531	N525-L527 PolarHBondContact O-N 3.06Å; L527-I530 HydrophobicContact CD2-CD1 4.48Å; L527-R531 WeakPolarHBondContact O-CB 3.19Å; L527-R531 PolarHBondContact O-N 2.86Å; L527-R531 VanDerWaalsContact O-N 3.15Å
528	A	97.6	Very high	98.2	Very high	44 Å²	44	63.8 Å²	63.8	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-72.1	-46.2	176	0	0	0	0	0	110	D526 I530 R531 D532	D526-A528 VanDerWaalsContact C-N 3.29Å; D526-A528 PolarHBondContact O-N 3.49Å; D526-A528 WeakPolarHBondContact OD1-CA 3.3Å; D526-A528 VanDerWaalsContact OD1-CB 3.32Å; D526-A528 WeakPolarHBondContact OD1-CB 3.29Å; D526-A528 PolarHBondContact OD1-N 3.29Å; A528-I530 PolarHBondContact O-N 2.69Å; A528-R531 WeakPolarHBondContact O-CB 3.15Å; A528-R531 PolarHBondContact O-N 2.91Å; A528-D532 WeakPolarHBondContact O-CB 3.46Å; A528-D532 PolarHBondContact O-N 2.6Å
529	F	98.2	Very high	98.2	Very high	9 Å²	9	61.8 Å²	61.8	4%	0.039	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-45.3	177.4	-169.3	-109.8	0	0	0	112	L501 V505 L520 F523 D526 R531 D532 V533 I801	L501-F529 HydrophobicContact CD1-CD2 4.09Å; L501-F529 HydrophobicContact CD1-CE2 4.13Å; L501-F529 HydrophobicContact CD2-CD2 4.29Å; L501-F529 HydrophobicContact CD2-CE2 4.02Å; L501-F529 HydrophobicContact CG-CD2 4.14Å; L501-F529 HydrophobicContact CG-CE2 3.73Å; V505-F529 HydrophobicContact CG1-CD2 4.06Å; V505-F529 HydrophobicContact CG1-CE2 4.14Å; V505-F529 HydrophobicContact CG2-CE2 3.86Å; V505-F529 HydrophobicContact CG2-CZ 4.43Å; L520-F529 HydrophobicContact CD2-CZ 3.85Å; F523-F529 HydrophobicContact CB-CB 4.22Å; F523-F529 HydrophobicContact CB-CD1 3.61Å; F523-F529 HydrophobicContact CB-CE1 4.09Å; F523-F529 HydrophobicContact CB-CG 3.88Å; D526-F529 HydrophobicContact CB-CB 3.91Å; D526-F529 PolarHBondContact O-N 2.74Å; D526-F529 PolarHBondContact OD1-N 2.9Å; F529-R531 VanDerWaalsContact C-N 3.34Å; F529-R531 PolarHBondContact O-N 2.85Å; F529-D532 PolarHBondContact O-N 3.23Å; F529-V533 HydrophobicContact CD1-CG2 4.21Å; F529-V533 HydrophobicContact CE1-CG2 3.89Å; F529-V533 HydrophobicContact CE2-CG2 4.4Å; F529-V533 HydrophobicContact CZ-CG2 3.98Å; F529-V533 WeakPolarHBondContact O-CG2 3.44Å; F529-V533 PolarHBondContact O-N 3.2Å; F529-I801 HydrophobicContact CD1-CD1 3.75Å; F529-I801 HydrophobicContact CD1-CG1 4.28Å; F529-I801 HydrophobicContact CE1-CD1 3.94Å; F529-I801 HydrophobicContact CE1-CG1 3.94Å; F529-I801 HydrophobicContact CE1-CG2 3.96Å
530	I	98.6	Very high	98.2	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.046	30%	0.303	C	S	.	.	H	α-helix	trans	-55.1	-49.6	173.9	-70.5	165.7	0	0	0	110.9	V524 D526 L527 A528 D532 V533 A534 V794 T797 K798 I801	V524-I530 WeakPolarHBondContact O-CD1 3.4Å; D526-I530 WeakPolarHBondContact O-CB 3.34Å; D526-I530 WeakPolarHBondContact O-CD1 3.29Å; D526-I530 VanDerWaalsContact O-CG1 3.23Å; D526-I530 WeakPolarHBondContact O-CG1 3.5Å; D526-I530 PolarHBondContact O-N 3.39Å; L527-I530 HydrophobicContact CD2-CD1 4.48Å; A528-I530 PolarHBondContact O-N 2.69Å; I530-D532 VanDerWaalsContact C-N 3.3Å; I530-D532 PolarHBondContact O-N 2.98Å; I530-V533 PolarHBondContact O-N 3.28Å; I530-A534 WeakPolarHBondContact O-CB 3.37Å; I530-A534 PolarHBondContact O-N 3.31Å; I530-V794 HydrophobicContact CD1-CG1 4.42Å; I530-T797 HydrophobicContact CB-CG2 4.48Å; I530-T797 HydrophobicContact CG2-CG2 3.89Å; I530-T797 WeakPolarHBondContact O-CG2 3.34Å; I530-K798 HydrophobicContact CD1-CG 3.96Å; I530-K798 HydrophobicContact CG1-CG 4.46Å; I530-I801 HydrophobicContact CG1-CD1 3.86Å
531	R	98.4	Very high	98.2	Very high	155 Å²	155	58.8 Å²	58.8	59%	0.585	30%	0.303	S	S	*	.	H	α-helix	trans	-60.1	-42.5	179.3	-178.8	-163.1	66.9	-155.3	-8.7	111.4	L527 A528 F529 A534 K535	L527-R531 WeakPolarHBondContact O-CB 3.19Å; L527-R531 PolarHBondContact O-N 2.86Å; L527-R531 VanDerWaalsContact O-N 3.15Å; A528-R531 WeakPolarHBondContact O-CB 3.15Å; A528-R531 PolarHBondContact O-N 2.91Å; F529-R531 VanDerWaalsContact C-N 3.34Å; F529-R531 PolarHBondContact O-N 2.85Å; R531-A534 PolarHBondContact O-N 2.7Å; R531-K535 WeakPolarHBondContact O-CB 2.99Å; R531-K535 PolarHBondContact O-N 2.98Å
532	D	98.4	Very high	98.3	Very high	44 Å²	44	58.4 Å²	58.4	24%	0.235	30%	0.3	C	S	.	.	H	α-helix	trans	-74.6	-36.2	-174.1	-63.5	-15.8	0	0	0	111.4	L501 A528 F529 I530 K535 I536	L501-D532 HydrophobicContact CD1-CB 3.94Å; L501-D532 HydrophobicContact CD2-CB 3.86Å; A528-D532 WeakPolarHBondContact O-CB 3.46Å; A528-D532 PolarHBondContact O-N 2.6Å; F529-D532 PolarHBondContact O-N 3.23Å; I530-D532 VanDerWaalsContact C-N 3.3Å; I530-D532 PolarHBondContact O-N 2.98Å; D532-K535 PolarHBondContact O-N 3.04Å; D532-I536 WeakPolarHBondContact O-CD1 3.47Å; D532-I536 WeakPolarHBondContact O-CG1 3.1Å; D532-I536 PolarHBondContact O-N 2.99Å
533	V	98.7	Very high	98.2	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.055	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-48.7	169.3	172	0	0	0	0	111	L501 F529 I530 K535 I536 K537 T797 V800 I801	L501-V533 HydrophobicContact CD2-CB 4.42Å; L501-V533 HydrophobicContact CD2-CG2 3.64Å; F529-V533 HydrophobicContact CD1-CG2 4.21Å; F529-V533 HydrophobicContact CE1-CG2 3.89Å; F529-V533 HydrophobicContact CE2-CG2 4.4Å; F529-V533 HydrophobicContact CZ-CG2 3.98Å; F529-V533 WeakPolarHBondContact O-CG2 3.44Å; F529-V533 PolarHBondContact O-N 3.2Å; I530-V533 PolarHBondContact O-N 3.28Å; V533-K535 VanDerWaalsContact C-N 3.31Å; V533-K535 PolarHBondContact O-N 2.94Å; V533-I536 PolarHBondContact O-N 3.49Å; V533-K537 PolarHBondContact O-N 3.44Å; V533-K537 VanDerWaalsContact O-N 3.12Å; V533-T797 HydrophobicContact CB-CG2 4.08Å; V533-T797 HydrophobicContact CG1-CG2 3.91Å; V533-V800 HydrophobicContact CG1-CG1 4.16Å; V533-I801 HydrophobicContact CG1-CG1 4.35Å; V533-I801 HydrophobicContact CG2-CD1 4.33Å; V533-I801 HydrophobicContact CG2-CG1 4.1Å
534	A	98.4	Very high	98.2	Very high	39 Å²	39	53.7 Å²	53.7	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-39.1	178.3	0	0	0	0	0	111.9	I530 R531 K537 Q538 T797	I530-A534 WeakPolarHBondContact O-CB 3.37Å; I530-A534 PolarHBondContact O-N 3.31Å; R531-A534 PolarHBondContact O-N 2.7Å; A534-K537 PolarHBondContact O-N 2.87Å; A534-Q538 PolarHBondContact O-N 3.3Å; A534-T797 HydrophobicContact CB-CG2 4.34Å
535	K	98.3	Very high	98.2	Very high	113 Å²	113	53.3 Å²	53.3	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-60.6	-47.3	175.9	175.3	170.9	169.8	38	0	111.8	R531 D532 V533 K537 Q538 D539	R531-K535 WeakPolarHBondContact O-CB 2.99Å; R531-K535 PolarHBondContact O-N 2.98Å; D532-K535 PolarHBondContact O-N 3.04Å; V533-K535 VanDerWaalsContact C-N 3.31Å; V533-K535 PolarHBondContact O-N 2.94Å; K535-K537 VanDerWaalsContact C-N 3.33Å; K535-K537 PolarHBondContact O-N 3.32Å; K535-Q538 PolarHBondContact O-N 3.29Å; K535-Q538 VanDerWaalsContact O-N 3.15Å; K535-D539 IonicContact NZ-OD1 3.92Å; K535-D539 PolarHBondContact NZ-OD1 3.16Å; K535-D539 IonicContact NZ-OD2 3.96Å; K535-D539 PolarHBondContact NZ-OD2 3.49Å; K535-D539 PolarHBondContact O-N 3.5Å
536	I	98.5	Very high	98.1	Very high	25 Å²	25	53.8 Å²	53.8	13%	0.128	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-42.6	179.9	-69.7	159.8	0	0	0	110.8	G497 L498 L501 D532 V533 Q538 D539 N540	G497-I536 WeakPolarHBondContact O-CD1 3.36Å; L498-I536 HydrophobicContact CB-CG2 4.06Å; L501-I536 HydrophobicContact CB-CD1 3.66Å; L501-I536 HydrophobicContact CD2-CD1 3.49Å; L501-I536 VanDerWaalsContact CD2-CD1 3.49Å; L501-I536 HydrophobicContact CG-CD1 4.18Å; D532-I536 WeakPolarHBondContact O-CD1 3.47Å; D532-I536 WeakPolarHBondContact O-CG1 3.1Å; D532-I536 PolarHBondContact O-N 2.99Å; V533-I536 PolarHBondContact O-N 3.49Å; I536-Q538 VanDerWaalsContact C-N 3.31Å; I536-Q538 PolarHBondContact O-N 3.42Å; I536-D539 PolarHBondContact O-N 3.19Å; I536-N540 PolarHBondContact O-N 2.87Å; I536-N540 PolarHBondContact O-ND2 3.28Å
537	K	98.8	Very high	97.9	Very high	24 Å²	24	51.9 Å²	51.9	10%	0.104	26%	0.26	C	S	.	.	H	α-helix	trans	-57.6	-45.7	173.9	-178.2	60.1	59.2	179.4	0	111.2	V533 A534 K535 N540 K541 P657 T659 D660 N683	V533-K537 PolarHBondContact O-N 3.44Å; V533-K537 VanDerWaalsContact O-N 3.12Å; A534-K537 PolarHBondContact O-N 2.87Å; K535-K537 VanDerWaalsContact C-N 3.33Å; K535-K537 PolarHBondContact O-N 3.32Å; K537-N540 PolarHBondContact O-N 2.65Å; K537-K541 HydrophobicContact CD-CD 4.36Å; K537-K541 HydrophobicContact CG-CD 4.13Å; K537-K541 VanDerWaalsContact O-CG 3.31Å; K537-K541 WeakPolarHBondContact O-CG 3.41Å; K537-K541 PolarHBondContact O-N 2.78Å; K537-P657 PolarHBondContact NZ-O 3.44Å; K537-T659 WeakPolarHBondContact CE-O 3.44Å; K537-T659 PolarHBondContact NZ-O 3.08Å; K537-D660 WeakPolarHBondContact CG-OD1 3.48Å; K537-N683 PolarHBondContact NZ-O 3.35Å
538	Q	98.5	Very high	97.7	Very high	62 Å²	62	45.7 Å²	45.7	29%	0.29	23%	0.227	S	C	.	.	H	α-helix	trans	-64.6	-40.7	179.1	-169.7	59.1	29.1	0	0	112.6	A534 K535 I536 K541 L542 P558	A534-Q538 PolarHBondContact O-N 3.3Å; K535-Q538 PolarHBondContact O-N 3.29Å; K535-Q538 VanDerWaalsContact O-N 3.15Å; I536-Q538 VanDerWaalsContact C-N 3.31Å; I536-Q538 PolarHBondContact O-N 3.42Å; Q538-K541 PolarHBondContact O-N 3.46Å; Q538-L542 HydrophobicContact CG-CD1 4.4Å; Q538-L542 WeakPolarHBondContact O-CG 3.45Å; Q538-L542 PolarHBondContact O-N 3.48Å; Q538-P558 PolarHBondContact NE2-O 3.37Å; Q538-P558 VanDerWaalsContact NE2-O 3.13Å
539	D	98.4	Very high	97.5	Very high	70 Å²	70	48.3 Å²	48.3	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-63.9	-41.6	177.1	-68.6	-21.1	0	0	0	110.8	K535 I536 L542 K543	K535-D539 IonicContact NZ-OD1 3.92Å; K535-D539 PolarHBondContact NZ-OD1 3.16Å; K535-D539 IonicContact NZ-OD2 3.96Å; K535-D539 PolarHBondContact NZ-OD2 3.49Å; K535-D539 PolarHBondContact O-N 3.5Å; I536-D539 PolarHBondContact O-N 3.19Å; D539-L542 PolarHBondContact O-N 3.27Å; D539-K543 PolarHBondContact O-N 3.37Å
540	N	98.7	Very high	97.1	Very high	30 Å²	30	56.1 Å²	56.1	16%	0.16	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-42	174.1	-71.2	-21.4	0	0	0	112.3	N495 I536 K537 L542 K543 F544 P657 A658	N495-N540 PolarHBondContact OD1-ND2 3.13Å; I536-N540 PolarHBondContact O-N 2.87Å; I536-N540 PolarHBondContact O-ND2 3.28Å; K537-N540 PolarHBondContact O-N 2.65Å; N540-L542 PolarHBondContact O-N 3.24Å; N540-K543 PolarHBondContact O-N 2.95Å; N540-F544 PolarHBondContact O-N 3.45Å; N540-P657 HydrophobicContact CB-CB 4.25Å; N540-P657 WeakPolarHBondContact CB-O 3.3Å; N540-P657 PolarHBondContact ND2-O 3.32Å; N540-A658 HydrophobicContact CB-CB 4.48Å
541	K	98.7	Very high	96.6	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-41.7	175.7	-74.1	172.2	65.2	174	0	112.3	K537 Q538 F544 A545 P558 S560 F562 A658 D660 Y790	K537-K541 HydrophobicContact CD-CD 4.36Å; K537-K541 HydrophobicContact CG-CD 4.13Å; K537-K541 VanDerWaalsContact O-CG 3.31Å; K537-K541 WeakPolarHBondContact O-CG 3.41Å; K537-K541 PolarHBondContact O-N 2.78Å; Q538-K541 PolarHBondContact O-N 3.46Å; K541-F544 PolarHBondContact O-N 3.2Å; K541-A545 WeakPolarHBondContact O-CB 3.45Å; K541-A545 PolarHBondContact O-N 2.99Å; K541-P558 WeakPolarHBondContact CE-O 3.47Å; K541-P558 PolarHBondContact NZ-O 3.21Å; K541-S560 WeakPolarHBondContact CE-O 3.44Å; K541-S560 PolarHBondContact NZ-O 2.66Å; K541-F562 HydrophobicContact CB-CD2 4.39Å; K541-F562 HydrophobicContact CB-CE2 3.91Å; K541-F562 HydrophobicContact CB-CZ 4.21Å; K541-F562 HydrophobicContact CG-CD2 3.85Å; K541-F562 HydrophobicContact CG-CE2 3.89Å; K541-F562 HydrophobicContact CG-CG 4.36Å; K541-F562 HydrophobicContact CG-CZ 4.44Å; K541-A658 HydrophobicContact CG-CB 4.35Å; K541-A658 WeakPolarHBondContact CG-O 3.38Å; K541-D660 WeakPolarHBondContact CE-OD2 3.4Å; K541-D660 IonicContact NZ-OD1 3.32Å; K541-D660 IonicContact NZ-OD2 2.77Å; K541-D660 PolarHBondContact NZ-OD2 2.75Å; K541-Y790 PolarHBondContact NZ-OH 3.32Å; K541-Y790 VanDerWaalsContact NZ-OH 3.1Å
542	L	98.4	Very high	95.9	Very high	66 Å²	66	55.5 Å²	55.5	35%	0.346	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-45.4	175.4	-73	168	0	0	0	111.5	Q538 D539 N540 F544 A545 Q546 P558	Q538-L542 HydrophobicContact CG-CD1 4.4Å; Q538-L542 WeakPolarHBondContact O-CG 3.45Å; Q538-L542 PolarHBondContact O-N 3.48Å; D539-L542 PolarHBondContact O-N 3.27Å; N540-L542 PolarHBondContact O-N 3.24Å; L542-F544 VanDerWaalsContact C-N 3.34Å; L542-F544 PolarHBondContact O-N 3.43Å; L542-A545 PolarHBondContact O-N 2.98Å; L542-Q546 VanDerWaalsContact O-CG 3.31Å; L542-Q546 WeakPolarHBondContact O-CG 3.24Å; L542-Q546 PolarHBondContact O-N 3.45Å; L542-P558 HydrophobicContact CD2-CB 3.65Å; L542-P558 HydrophobicContact CD2-CG 3.64Å; L542-P558 HydrophobicContact CG-CB 4.33Å
543	K	96.8	Very high	95.5	Very high	93 Å²	93	64.2 Å²	64.2	40%	0.404	30%	0.297	S	S	.	.	H	α-helix	trans	-59.2	-45.5	175.9	-171.9	171.4	-174	168.7	0	110.9	E121 D539 N540 Q546 I547	E121-K543 VanDerWaalsContact CD-NZ 3.34Å; E121-K543 IonicContact OE1-NZ 2.99Å; E121-K543 PolarHBondContact OE1-NZ 2.91Å; E121-K543 VanDerWaalsContact OE1-NZ 3.14Å; E121-K543 IonicContact OE2-NZ 3.14Å; E121-K543 PolarHBondContact OE2-NZ 2.82Å; D539-K543 PolarHBondContact O-N 3.37Å; N540-K543 PolarHBondContact O-N 2.95Å; K543-Q546 WeakPolarHBondContact O-CB 3.49Å; K543-Q546 PolarHBondContact O-N 2.78Å; K543-I547 HydrophobicContact CG-CD1 4.32Å; K543-I547 WeakPolarHBondContact O-CG1 3.49Å; K543-I547 PolarHBondContact O-N 3.31Å; K543-I547 VanDerWaalsContact O-N 3.07Å
544	F	97.9	Very high	94.9	Very high	1 Å²	1	65.8 Å²	65.8	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-67	-40.2	179	-171.3	-112.2	0	0	0	113.1	N540 K541 L542 Q546 I547 L548 F562 I603 L644 K654 V655 A658	N540-F544 PolarHBondContact O-N 3.45Å; K541-F544 PolarHBondContact O-N 3.2Å; L542-F544 VanDerWaalsContact C-N 3.34Å; L542-F544 PolarHBondContact O-N 3.43Å; F544-Q546 VanDerWaalsContact C-N 3.3Å; F544-Q546 PolarHBondContact O-N 2.78Å; F544-I547 WeakPolarHBondContact O-CB 3.36Å; F544-I547 PolarHBondContact O-N 3.08Å; F544-L548 HydrophobicContact CD1-CD1 3.94Å; F544-L548 HydrophobicContact CD1-CG 4.34Å; F544-L548 HydrophobicContact CE1-CD1 3.5Å; F544-L548 VanDerWaalsContact CE1-CD1 3.5Å; F544-L548 HydrophobicContact CE1-CD2 4.35Å; F544-L548 HydrophobicContact CE1-CG 3.95Å; F544-L548 HydrophobicContact CZ-CD1 4.05Å; F544-L548 HydrophobicContact CZ-CD2 4.05Å; F544-L548 HydrophobicContact CZ-CG 4.07Å; F544-L548 PolarHBondContact O-N 3.18Å; F544-F562 HydrophobicContact CD1-CD2 4.37Å; F544-F562 AromaticContact CD1-CE2 3.97Å; F544-F562 HydrophobicContact CD1-CE2 3.97Å; F544-I603 HydrophobicContact CE1-CD1 3.88Å; F544-L644 HydrophobicContact CZ-CD1 4.13Å; F544-L644 HydrophobicContact CZ-CD2 4.36Å; F544-K654 HydrophobicContact CD2-CB 4.11Å; F544-K654 HydrophobicContact CE2-CB 4.27Å; F544-V655 HydrophobicContact CE1-CB 4.44Å; F544-V655 HydrophobicContact CE1-CG2 3.92Å; F544-V655 HydrophobicContact CE2-CB 3.83Å; F544-V655 HydrophobicContact CE2-CG2 4.2Å; F544-V655 HydrophobicContact CZ-CB 3.79Å; F544-V655 HydrophobicContact CZ-CG2 3.66Å; F544-A658 HydrophobicContact CB-CB 3.61Å; F544-A658 HydrophobicContact CD1-CB 4.31Å; F544-A658 HydrophobicContact CG-CB 4.03Å
545	A	97.4	Very high	94.5	Very high	11 Å²	11	71.5 Å²	71.5	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-39.4	174.6	0	0	0	0	0	112.2	K541 L542 L548 E549 I556 P558	K541-A545 WeakPolarHBondContact O-CB 3.45Å; K541-A545 PolarHBondContact O-N 2.99Å; L542-A545 PolarHBondContact O-N 2.98Å; A545-L548 PolarHBondContact O-N 3.21Å; A545-E549 PolarHBondContact O-N 2.96Å; A545-I556 HydrophobicContact CB-CD1 4.01Å; A545-I556 HydrophobicContact CB-CG1 3.74Å; A545-P558 HydrophobicContact CB-CB 4.41Å
546	Q	96.1	Very high	94.4	Very high	126 Å²	126	66.8 Å²	66.8	59%	0.589	30%	0.304	S	S	*	.	H	α-helix	trans	-65.1	-39	174.7	-70.8	169.1	-0.6	0	0	112.3	L542 K543 F544 E549 K550	L542-Q546 VanDerWaalsContact O-CG 3.31Å; L542-Q546 WeakPolarHBondContact O-CG 3.24Å; L542-Q546 PolarHBondContact O-N 3.45Å; K543-Q546 WeakPolarHBondContact O-CB 3.49Å; K543-Q546 PolarHBondContact O-N 2.78Å; F544-Q546 VanDerWaalsContact C-N 3.3Å; F544-Q546 PolarHBondContact O-N 2.78Å; Q546-E549 PolarHBondContact O-N 3.44Å; Q546-K550 VanDerWaalsContact O-CB 3.3Å; Q546-K550 WeakPolarHBondContact O-CB 3.4Å; Q546-K550 PolarHBondContact O-N 3.46Å
547	I	93.3	Very high	94.3	Very high	27 Å²	27	67.3 Å²	67.3	14%	0.138	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-46.4	174.9	-68.5	165.8	0	0	0	110.2	K543 F544 E549 K550 E551 K654	K543-I547 HydrophobicContact CG-CD1 4.32Å; K543-I547 WeakPolarHBondContact O-CG1 3.49Å; K543-I547 PolarHBondContact O-N 3.31Å; K543-I547 VanDerWaalsContact O-N 3.07Å; F544-I547 WeakPolarHBondContact O-CB 3.36Å; F544-I547 PolarHBondContact O-N 3.08Å; I547-E549 VanDerWaalsContact C-N 3.33Å; I547-E549 PolarHBondContact O-N 2.99Å; I547-K550 PolarHBondContact O-N 3.32Å; I547-E551 HydrophobicContact CG2-CG 4.37Å; I547-E551 WeakPolarHBondContact O-CB 3.15Å; I547-E551 PolarHBondContact O-N 2.78Å; I547-K654 HydrophobicContact CD1-CB 4.49Å; I547-K654 HydrophobicContact CD1-CD 4.04Å; I547-K654 HydrophobicContact CD1-CG 4.18Å
548	L	93.3	Very high	94.2	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-38.9	177.4	-70.6	179	0	0	0	112.8	F544 A545 Y552 R553 V554 I556 L644	F544-L548 HydrophobicContact CD1-CD1 3.94Å; F544-L548 HydrophobicContact CD1-CG 4.34Å; F544-L548 HydrophobicContact CE1-CD1 3.5Å; F544-L548 VanDerWaalsContact CE1-CD1 3.5Å; F544-L548 HydrophobicContact CE1-CD2 4.35Å; F544-L548 HydrophobicContact CE1-CG 3.95Å; F544-L548 HydrophobicContact CZ-CD1 4.05Å; F544-L548 HydrophobicContact CZ-CD2 4.05Å; F544-L548 HydrophobicContact CZ-CG 4.07Å; F544-L548 PolarHBondContact O-N 3.18Å; A545-L548 PolarHBondContact O-N 3.21Å; L548-Y552 HydrophobicContact CD2-CD2 3.77Å; L548-Y552 HydrophobicContact CD2-CE2 4.23Å; L548-Y552 CarbonylContact O-C 3.21Å; L548-Y552 WeakPolarHBondContact O-CA 3.33Å; L548-Y552 WeakPolarHBondContact O-CB 3.15Å; L548-Y552 PolarHBondContact O-N 3.16Å; L548-R553 PolarHBondContact O-N 3.09Å; L548-R553 VanDerWaalsContact O-N 3.08Å; L548-V554 CarbonylContact C-O 3.59Å; L548-V554 PolarHBondContact O-N 3.38Å; L548-I556 HydrophobicContact CD1-CD1 3.62Å; L548-I556 HydrophobicContact CD1-CG1 4.38Å; L548-L644 HydrophobicContact CD2-CD1 3.82Å
549	E	93.5	Very high	94.1	Very high	100 Å²	100	68.7 Å²	68.7	47%	0.467	33%	0.326	S	S	.	.	H	α-helix	trans	-69	-42.2	176.4	-171.9	168.3	-151.8	0	0	111.7	A545 Q546 I547 R553 V554	A545-E549 PolarHBondContact O-N 2.96Å; Q546-E549 PolarHBondContact O-N 3.44Å; I547-E549 VanDerWaalsContact C-N 3.33Å; I547-E549 PolarHBondContact O-N 2.99Å; E549-R553 WeakPolarHBondContact O-CA 3.49Å; E549-R553 PolarHBondContact O-N 3.13Å; E549-V554 WeakPolarHBondContact CA-O 3.28Å; E549-V554 PolarHBondContact N-O 3Å
550	K	90.5	Very high	94.1	Very high	173 Å²	173	65.3 Å²	65.3	75%	0.752	31%	0.308	S	S	*	.	H	α-helix	trans	-70.1	-49.4	-179.2	-175.7	-177.8	178.8	-176.4	0	112.7	Q546 I547	Q546-K550 VanDerWaalsContact O-CB 3.3Å; Q546-K550 WeakPolarHBondContact O-CB 3.4Å; Q546-K550 PolarHBondContact O-N 3.46Å; I547-K550 PolarHBondContact O-N 3.32Å
551	E	86.9	Confident	94.1	Very high	88 Å²	88	63.9 Å²	63.9	41%	0.411	30%	0.3	S	S	.	.	H	α-helix	trans	-88.5	-39.3	-171.1	-65.7	-176.1	-163	0	0	112.4	I547 K654	I547-E551 HydrophobicContact CG2-CG 4.37Å; I547-E551 WeakPolarHBondContact O-CB 3.15Å; I547-E551 PolarHBondContact O-N 2.78Å; E551-K654 IonicContact OE1-NZ 3.97Å
552	Y	85.2	Confident	94.1	Very high	62 Å²	62	63.9 Å²	63.9	24%	0.243	30%	0.3	C	S	.	.	H	α-helix	trans	-111.4	-3.8	-172.3	-58.6	-83.1	0	0	0	113.4	L548 V554 E645	L548-Y552 HydrophobicContact CD2-CD2 3.77Å; L548-Y552 HydrophobicContact CD2-CE2 4.23Å; L548-Y552 CarbonylContact O-C 3.21Å; L548-Y552 WeakPolarHBondContact O-CA 3.33Å; L548-Y552 WeakPolarHBondContact O-CB 3.15Å; L548-Y552 PolarHBondContact O-N 3.16Å; Y552-V554 PolarHBondContact O-N 3.2Å; Y552-E645 HydrophobicContact CE1-CB 3.96Å; Y552-E645 PolarHBondContact OH-O 3.25Å
553	R	88.3	Confident	94.1	Very high	228 Å²	228	60.8 Å²	60.8	86%	0.86	28%	0.284	S	S	*	.			trans	57.3	29.5	-177.6	-54.8	-179.3	-179.5	179.5	-0	113.1	L548 E549	L548-R553 PolarHBondContact O-N 3.09Å; L548-R553 VanDerWaalsContact O-N 3.08Å; E549-R553 WeakPolarHBondContact O-CA 3.49Å; E549-R553 PolarHBondContact O-N 3.13Å
554	V	86.3	Confident	94.2	Very high	42 Å²	42	56.4 Å²	56.4	26%	0.255	27%	0.265	S	S	.	.			trans	-106	117.1	178	179.5	0	0	0	0	108.9	L548 E549 Y552 I556 I642	L548-V554 CarbonylContact C-O 3.59Å; L548-V554 PolarHBondContact O-N 3.38Å; E549-V554 WeakPolarHBondContact CA-O 3.28Å; E549-V554 PolarHBondContact N-O 3Å; Y552-V554 PolarHBondContact O-N 3.2Å; V554-I556 HydrophobicContact CG1-CG2 3.79Å; V554-I642 HydrophobicContact CG1-CD1 3.28Å; V554-I642 HydrophobicContact CG1-CG1 4.17Å
555	K	91.3	Very high	94.3	Very high	159 Å²	159	56.4 Å²	56.4	69%	0.691	27%	0.265	S	S	*	.			trans	-90.3	124.9	171.4	-171	175.4	-176.7	176	0	110.3
556	I	94.6	Very high	94.3	Very high	14 Å²	14	56.1 Å²	56.1	7%	0.072	26%	0.262	C	S	.	.			trans	-120.8	161.4	177.8	62.2	167	0	0	0	111.2	A545 L548 V554 P558 F562 T601 I642	A545-I556 HydrophobicContact CB-CD1 4.01Å; A545-I556 HydrophobicContact CB-CG1 3.74Å; L548-I556 HydrophobicContact CD1-CD1 3.62Å; L548-I556 HydrophobicContact CD1-CG1 4.38Å; V554-I556 HydrophobicContact CG1-CG2 3.79Å; I556-P558 VanDerWaalsContact O-CD 3.29Å; I556-P558 WeakPolarHBondContact O-CD 3.19Å; I556-F562 HydrophobicContact CD1-CE1 3.8Å; I556-F562 HydrophobicContact CD1-CE2 4.03Å; I556-F562 HydrophobicContact CD1-CZ 3.34Å; I556-F562 HydrophobicContact CG1-CZ 4.33Å; I556-T601 HydrophobicContact CB-CG2 4.12Å; I556-T601 HydrophobicContact CD1-CG2 4.08Å; I556-T601 HydrophobicContact CG2-CG2 3.92Å; I556-I642 HydrophobicContact CG2-CD1 4.33Å; I556-I642 HydrophobicContact CG2-CG1 4.19Å
557	N	96.4	Very high	94.3	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.193	24%	0.239	C	C	.	.			trans	-86.3	107.9	176.5	177.2	3.7	0	0	0	109.8	S559 S560	N557-S559 PolarHBondContact O-N 3.07Å; N557-S559 WeakPolarHBondContact OD1-CB 3.28Å; N557-S559 PolarHBondContact OD1-N 2.91Å; N557-S560 WeakPolarHBondContact O-CB 3.41Å; N557-S560 PolarHBondContact O-N 2.87Å; N557-S560 PolarHBondContact O-OG 2.95Å
558	P	97.1	Very high	94.3	Very high	30 Å²	30	55.1 Å²	55.1	20%	0.195	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.6	-179.1	31.5	-37	0	0	0	113.6	Q538 K541 L542 A545 I556	Q538-P558 PolarHBondContact NE2-O 3.37Å; Q538-P558 VanDerWaalsContact NE2-O 3.13Å; K541-P558 WeakPolarHBondContact CE-O 3.47Å; K541-P558 PolarHBondContact NZ-O 3.21Å; L542-P558 HydrophobicContact CD2-CB 3.65Å; L542-P558 HydrophobicContact CD2-CG 3.64Å; L542-P558 HydrophobicContact CG-CB 4.33Å; A545-P558 HydrophobicContact CB-CB 4.41Å; I556-P558 VanDerWaalsContact O-CD 3.29Å; I556-P558 WeakPolarHBondContact O-CD 3.19Å
559	S	96.9	Very high	94.5	Very high	84 Å²	84	55.1 Å²	55.1	59%	0.587	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.8	172.9	-53.6	0	0	0	0	112.9	N557	N557-S559 PolarHBondContact O-N 3.07Å; N557-S559 WeakPolarHBondContact OD1-CB 3.28Å; N557-S559 PolarHBondContact OD1-N 2.91Å
560	S	98.3	Very high	94.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-73.9	157.6	172.3	68.8	0	0	0	0	111.1	K541 N557 F562 P599 T601	K541-S560 WeakPolarHBondContact CE-O 3.44Å; K541-S560 PolarHBondContact NZ-O 2.66Å; N557-S560 WeakPolarHBondContact O-CB 3.41Å; N557-S560 PolarHBondContact O-N 2.87Å; N557-S560 PolarHBondContact O-OG 2.95Å; S560-F562 PolarHBondContact O-N 3.02Å; S560-P599 CarbonylContact C-O 3.56Å; S560-P599 WeakPolarHBondContact CA-O 3.48Å; S560-P599 VanDerWaalsContact CB-O 3.3Å; S560-P599 WeakPolarHBondContact CB-O 3.41Å; S560-T601 PolarHBondContact OG-N 3.44Å; S560-T601 PolarHBondContact OG-OG1 2.9Å
561	M	98.8	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	126.8	168.8	176.2	172.5	17.2	0	0	109.8	D563 V598 P599 R600 T601 D660 L661 V786 Y790 W796	M561-D563 PolarHBondContact O-N 2.81Å; M561-V598 HydrophobicContact CE-CG1 3.83Å; M561-P599 PolarHBondContact N-O 3.3Å; M561-R600 HydrophobicContact CB-CG 4.44Å; M561-R600 HydrophobicContact CE-CG 4.04Å; M561-T601 PolarHBondContact O-N 3.48Å; M561-D660 WeakPolarHBondContact CA-OD2 3.41Å; M561-D660 HydrophobicContact CG-CB 3.99Å; M561-L661 HydrophobicContact SD-CB 4.17Å; M561-L661 HydrophobicContact SD-CD2 4.44Å; M561-V786 HydrophobicContact CE-CG1 4.15Å; M561-V786 HydrophobicContact SD-CG1 3.69Å; M561-Y790 WeakPolarHBondContact CA-OH 3.3Å; M561-Y790 HydrophobicContact CB-CD1 4.15Å; M561-Y790 HydrophobicContact CB-CD2 4.25Å; M561-Y790 HydrophobicContact CB-CE1 3.81Å; M561-Y790 HydrophobicContact CB-CE2 3.93Å; M561-Y790 HydrophobicContact CB-CG 4.36Å; M561-Y790 HydrophobicContact CE-CD1 4.44Å; M561-Y790 HydrophobicContact CE-CD2 4.48Å; M561-Y790 HydrophobicContact CE-CG 4.12Å; M561-Y790 HydrophobicContact CG-CD2 4.15Å; M561-Y790 HydrophobicContact CG-CE2 3.97Å; M561-Y790 HydrophobicContact SD-CD2 4.02Å; M561-Y790 HydrophobicContact SD-CE2 4.44Å; M561-Y790 HydrophobicContact SD-CG 4.26Å; M561-W796 HydrophobicContact SD-CH2 4.21Å
562	F	98.9	Very high	95.3	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	101.7	173.1	-78.1	15.7	0	0	0	109.4	K541 F544 I556 S560 V564 I603 A658 D660 L661	K541-F562 HydrophobicContact CB-CD2 4.39Å; K541-F562 HydrophobicContact CB-CE2 3.91Å; K541-F562 HydrophobicContact CB-CZ 4.21Å; K541-F562 HydrophobicContact CG-CD2 3.85Å; K541-F562 HydrophobicContact CG-CE2 3.89Å; K541-F562 HydrophobicContact CG-CG 4.36Å; K541-F562 HydrophobicContact CG-CZ 4.44Å; F544-F562 HydrophobicContact CD1-CD2 4.37Å; F544-F562 AromaticContact CD1-CE2 3.97Å; F544-F562 HydrophobicContact CD1-CE2 3.97Å; I556-F562 HydrophobicContact CD1-CE1 3.8Å; I556-F562 HydrophobicContact CD1-CE2 4.03Å; I556-F562 HydrophobicContact CD1-CZ 3.34Å; I556-F562 HydrophobicContact CG1-CZ 4.33Å; S560-F562 PolarHBondContact O-N 3.02Å; F562-V564 HydrophobicContact CB-CG2 4.44Å; F562-I603 HydrophobicContact CD2-CD1 4.37Å; F562-I603 HydrophobicContact CG-CD1 4.42Å; F562-A658 HydrophobicContact CD2-CB 4.22Å; F562-A658 WeakPolarHBondContact CD2-O 3.17Å; F562-A658 HydrophobicContact CE2-CB 4.43Å; F562-D660 PolarHBondContact N-OD2 2.86Å; F562-D660 PolarHBondContact O-N 3.46Å; F562-L661 PolarHBondContact O-N 2.64Å
563	D	98.9	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.5	-179	176.9	-22.7	0	0	0	108.4	M561 R600 T601 V602 I603 E663	M561-D563 PolarHBondContact O-N 2.81Å; D563-R600 IonicContact OD2-NH1 2.7Å; D563-R600 PolarHBondContact OD2-NH1 2.97Å; D563-T601 PolarHBondContact N-O 2.74Å; D563-V602 HydrophobicContact CB-CG2 4.2Å; D563-V602 CarbonylContact O-C 3.08Å; D563-V602 VanDerWaalsContact O-CA 3.31Å; D563-V602 WeakPolarHBondContact O-CA 3.41Å; D563-I603 PolarHBondContact O-N 2.9Å; D563-E663 WeakPolarHBondContact OD1-CG 3.28Å
564	V	98.9	Very high	96.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.4	-163.1	-175.7	0	0	0	0	112.5	F562 V566 I603 V655 T659 L661 E663 F680	F562-V564 HydrophobicContact CB-CG2 4.44Å; V564-V566 HydrophobicContact CG1-CB 4.39Å; V564-V566 HydrophobicContact CG1-CG1 3.72Å; V564-V566 HydrophobicContact CG1-CG2 3.93Å; V564-I603 CarbonylContact C-O 3.59Å; V564-I603 WeakPolarHBondContact CA-O 3.47Å; V564-I603 HydrophobicContact CG2-CB 4.12Å; V564-I603 HydrophobicContact CG2-CD1 3.94Å; V564-V655 HydrophobicContact CG1-CG2 3.84Å; V564-V655 HydrophobicContact CG2-CG2 4.28Å; V564-T659 HydrophobicContact CB-CG2 3.73Å; V564-T659 WeakPolarHBondContact CB-OG1 3.26Å; V564-T659 HydrophobicContact CG2-CG2 3.74Å; V564-T659 WeakPolarHBondContact CG2-OG1 3.46Å; V564-L661 PolarHBondContact N-O 3.11Å; V564-E663 PolarHBondContact O-N 3.14Å; V564-F680 HydrophobicContact CG1-CE1 4.4Å; V564-F680 HydrophobicContact CG1-CZ 4.11Å
565	H	98.8	Very high	96.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	84.8	174.2	-163.2	153.9	0	0	0	110.6	K567 K573 Q575 I603 I604 G605 E663	H565-K567 VanDerWaalsContact NE2-CD 3.33Å; H565-K567 WeakPolarHBondContact NE2-CD 3.44Å; H565-K567 WeakPolarHBondContact NE2-CE 3.37Å; H565-K573 PolarHBondContact CE1-O 2.85Å; H565-K573 VanDerWaalsContact CE1-O 3.27Å; H565-Q575 PolarHBondContact NE2-NE2 3.01Å; H565-I603 PolarHBondContact N-O 3.26Å; H565-I604 HydrophobicContact CB-CG1 4.28Å; H565-I604 WeakPolarHBondContact O-CA 2.9Å; H565-G605 PolarHBondContact O-N 3.33Å; H565-E663 HydrophobicContact CB-CB 3.61Å; H565-E663 HydrophobicContact CB-CG 3.99Å
566	V	98.1	Very high	97.2	Very high	6 Å²	6	20.4 Å²	20.4	4%	0.036	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.3	-179.3	-64.9	0	0	0	0	113.6	V564 G605 L644 Y647 V655 F680	V564-V566 HydrophobicContact CG1-CB 4.39Å; V564-V566 HydrophobicContact CG1-CG1 3.72Å; V564-V566 HydrophobicContact CG1-CG2 3.93Å; V566-G605 CarbonylContact C-O 3.16Å; V566-G605 VanDerWaalsContact CA-O 3.26Å; V566-G605 WeakPolarHBondContact CA-O 3.44Å; V566-L644 HydrophobicContact CG1-CD2 4.15Å; V566-Y647 HydrophobicContact CB-CD1 4.41Å; V566-Y647 HydrophobicContact CB-CD2 3.94Å; V566-Y647 HydrophobicContact CB-CE1 4.13Å; V566-Y647 HydrophobicContact CB-CE2 3.64Å; V566-Y647 HydrophobicContact CB-CG 4.32Å; V566-Y647 HydrophobicContact CG1-CD2 4.26Å; V566-Y647 HydrophobicContact CG1-CE2 4.29Å; V566-Y647 HydrophobicContact CG2-CD2 4.47Å; V566-Y647 HydrophobicContact CG2-CE1 4.5Å; V566-Y647 HydrophobicContact CG2-CE2 3.71Å; V566-V655 HydrophobicContact CG2-CG1 4.21Å; V566-F680 HydrophobicContact CG2-CE2 4.1Å; V566-F680 HydrophobicContact CG2-CZ 3.65Å
567	K	95.4	Very high	97.4	Very high	24 Å²	24	19.8 Å²	19.8	10%	0.104	10%	0.099	C	C	.	.	S	Bend	trans	-167.5	171.6	178.5	56.7	-169.3	73.2	171.3	0	109.6	H565 I569 K573 G605 G606 E663	H565-K567 VanDerWaalsContact NE2-CD 3.33Å; H565-K567 WeakPolarHBondContact NE2-CD 3.44Å; H565-K567 WeakPolarHBondContact NE2-CE 3.37Å; K567-I569 PolarHBondContact O-N 2.94Å; K567-K573 HydrophobicContact CB-CD 4.4Å; K567-K573 HydrophobicContact CD-CB 3.99Å; K567-K573 HydrophobicContact CD-CD 3.73Å; K567-K573 HydrophobicContact CD-CG 4.06Å; K567-K573 HydrophobicContact CG-CD 3.89Å; K567-G605 PolarHBondContact N-O 3.46Å; K567-G606 WeakPolarHBondContact O-CA 3.48Å; K567-E663 PolarHBondContact NZ-O 3.23Å
568	R	94.1	Very high	97.6	Very high	107 Å²	107	18 Å²	18	40%	0.404	9%	0.09	S	C	.	.			trans	-51.8	139.2	172.8	-171.5	-174	-67	-177.3	4.9	109.7	H570 K573 Q575 K607	R568-H570 PolarHBondContact O-N 2.87Å; R568-K573 WeakPolarHBondContact O-CD 3.37Å; R568-Q575 PolarHBondContact O-NE2 3.21Å; R568-K607 WeakPolarHBondContact CG-O 3.37Å
569	I	96.8	Very high	97.6	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.081	C	C	.	.			trans	-76.7	123	177	-52.6	-57.7	0	0	0	108.8	K567 Q575 K607 A608 A615 I618 I619	K567-I569 PolarHBondContact O-N 2.94Å; I569-Q575 HydrophobicContact CD1-CG 4.08Å; I569-K607 PolarHBondContact N-O 2.87Å; I569-A608 HydrophobicContact CB-CB 4.35Å; I569-A615 HydrophobicContact CB-CB 4.33Å; I569-A615 HydrophobicContact CG2-CB 3.97Å; I569-A615 WeakPolarHBondContact CG2-O 3.23Å; I569-I618 HydrophobicContact CG2-CB 4.04Å; I569-I618 HydrophobicContact CG2-CD1 4.48Å; I569-I618 HydrophobicContact CG2-CG2 3.92Å; I569-I619 HydrophobicContact CG1-CD1 3.99Å; I569-I619 HydrophobicContact CG1-CG1 3.86Å; I569-I619 HydrophobicContact CG2-CG1 4.35Å
570	H	95.4	Very high	97.7	Very high	37 Å²	37	12.7 Å²	12.7	17%	0.171	5%	0.053	C	C	.	.			trans	-158.5	143.8	-179.4	-160.1	-50.6	0	0	0	110	R568 Y572 K573 Q575 Y612	R568-H570 PolarHBondContact O-N 2.87Å; H570-Y572 HydrophobicContact CB-CD1 4.1Å; H570-Y572 HydrophobicContact CB-CE1 4.11Å; H570-Y572 AromaticContact CD2-CD1 3.78Å; H570-Y572 AromaticContact CD2-CE1 3.58Å; H570-Y572 AromaticContact CE1-CD1 3.51Å; H570-Y572 AromaticContact CG-CD1 3.44Å; H570-Y572 VanDerWaalsContact CG-CD1 3.44Å; H570-Y572 AromaticContact CG-CE1 3.58Å; H570-Y572 AromaticContact ND1-CD1 3.26Å; H570-Y572 VanDerWaalsContact ND1-CD1 3.26Å; H570-Y572 WeakPolarHBondContact ND1-CD1 3.45Å; H570-Y572 AromaticContact ND1-CE1 3.88Å; H570-Y572 PolarHBondContact ND1-N 3.36Å; H570-Y572 AromaticContact NE2-CD1 3.82Å; H570-Y572 AromaticContact NE2-CE1 3.88Å; H570-Y572 PolarHBondContact O-N 3.29Å; H570-K573 HydrophobicContact CB-CB 4.48Å; H570-K573 HydrophobicContact CB-CD 4.15Å; H570-K573 HydrophobicContact CB-CG 4.26Å; H570-K573 PolarHBondContact O-N 3.24Å; H570-Q575 PolarHBondContact O-OE1 3.2Å; H570-Y612 AromaticContact CD2-CE2 3.92Å; H570-Y612 AromaticContact CE1-CE2 3.94Å; H570-Y612 PolarHBondContact CE1-OH 3.44Å; H570-Y612 AromaticContact CG-CE2 3.97Å; H570-Y612 AromaticContact ND1-CE2 3.98Å; H570-Y612 PolarHBondContact ND1-OH 3.05Å; H570-Y612 AromaticContact NE2-CE2 3.92Å
571	E	96.5	Very high	97.8	Very high	32 Å²	32	12.9 Å²	12.9	15%	0.15	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-52.8	-45.7	179.1	-67.8	170.3	80.4	0	0	113.5	K573 R574 Y612 M614 I618 M763 F770	E571-K573 PolarHBondContact O-N 3.46Å; E571-R574 WeakPolarHBondContact O-CA 3.41Å; E571-R574 PolarHBondContact O-N 2.76Å; E571-Y612 VanDerWaalsContact CD-OH 3.28Å; E571-Y612 VanDerWaalsContact CG-OH 3.31Å; E571-Y612 WeakPolarHBondContact CG-OH 3.31Å; E571-Y612 VanDerWaalsContact OE2-CE1 3.26Å; E571-Y612 WeakPolarHBondContact OE2-CE1 3.47Å; E571-Y612 VanDerWaalsContact OE2-CZ 3.27Å; E571-Y612 PolarHBondContact OE2-OH 3.21Å; E571-M614 HydrophobicContact CG-CB 4.41Å; E571-M614 HydrophobicContact CG-CG 3.76Å; E571-I618 HydrophobicContact CG-CD1 4.27Å; E571-M763 HydrophobicContact CG-CE 4.39Å; E571-F770 HydrophobicContact CB-CD2 3.48Å; E571-F770 VanDerWaalsContact CB-CD2 3.48Å; E571-F770 HydrophobicContact CB-CE2 3.44Å; E571-F770 VanDerWaalsContact CB-CE2 3.44Å
572	Y	95.7	Very high	97.8	Very high	35 Å²	35	12.9 Å²	12.9	14%	0.137	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-64.9	-22	178.9	83.1	-104	0	0	0	114.7	L379 H570 S666 T667 T670 E671 F770	L379-Y572 HydrophobicContact CD1-CD1 3.9Å; L379-Y572 HydrophobicContact CD1-CE1 4.12Å; H570-Y572 HydrophobicContact CB-CD1 4.1Å; H570-Y572 HydrophobicContact CB-CE1 4.11Å; H570-Y572 AromaticContact CD2-CD1 3.78Å; H570-Y572 AromaticContact CD2-CE1 3.58Å; H570-Y572 AromaticContact CE1-CD1 3.51Å; H570-Y572 AromaticContact CG-CD1 3.44Å; H570-Y572 VanDerWaalsContact CG-CD1 3.44Å; H570-Y572 AromaticContact CG-CE1 3.58Å; H570-Y572 AromaticContact ND1-CD1 3.26Å; H570-Y572 VanDerWaalsContact ND1-CD1 3.26Å; H570-Y572 WeakPolarHBondContact ND1-CD1 3.45Å; H570-Y572 AromaticContact ND1-CE1 3.88Å; H570-Y572 PolarHBondContact ND1-N 3.36Å; H570-Y572 AromaticContact NE2-CD1 3.82Å; H570-Y572 AromaticContact NE2-CE1 3.88Å; H570-Y572 PolarHBondContact O-N 3.29Å; Y572-S666 VanDerWaalsContact O-CA 3.24Å; Y572-S666 WeakPolarHBondContact O-CA 3.46Å; Y572-S666 WeakPolarHBondContact O-CB 3.3Å; Y572-T667 PolarHBondContact O-N 2.95Å; Y572-T670 WeakPolarHBondContact CD2-OG1 3.48Å; Y572-E671 WeakPolarHBondContact CE2-OE2 3.06Å; Y572-F770 VanDerWaalsContact CB-CD1 3.47Å
573	K	96.8	Very high	97.7	Very high	15 Å²	15	12.9 Å²	12.9	7%	0.065	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-82.5	-6.2	176.6	-67.8	177.9	-175.8	-58.4	0	112.2	H565 K567 R568 H570 E571 Q575 E671	H565-K573 PolarHBondContact CE1-O 2.85Å; H565-K573 VanDerWaalsContact CE1-O 3.27Å; K567-K573 HydrophobicContact CB-CD 4.4Å; K567-K573 HydrophobicContact CD-CB 3.99Å; K567-K573 HydrophobicContact CD-CD 3.73Å; K567-K573 HydrophobicContact CD-CG 4.06Å; K567-K573 HydrophobicContact CG-CD 3.89Å; R568-K573 WeakPolarHBondContact O-CD 3.37Å; H570-K573 HydrophobicContact CB-CB 4.48Å; H570-K573 HydrophobicContact CB-CD 4.15Å; H570-K573 HydrophobicContact CB-CG 4.26Å; H570-K573 PolarHBondContact O-N 3.24Å; E571-K573 PolarHBondContact O-N 3.46Å; K573-Q575 VanDerWaalsContact C-N 3.34Å; K573-Q575 PolarHBondContact O-N 3.14Å; K573-E671 IonicContact NZ-OE1 2.75Å; K573-E671 PolarHBondContact NZ-OE1 3.19Å; K573-E671 IonicContact NZ-OE2 2.71Å; K573-E671 PolarHBondContact NZ-OE2 3.23Å
574	R	98.5	Very high	97.7	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	42.6	169.8	-57.7	-165.4	-65	-179.2	0.4	114.8	E571 L576 L577 N578 I665 S666 T667 V772 D775	E571-R574 WeakPolarHBondContact O-CA 3.41Å; E571-R574 PolarHBondContact O-N 2.76Å; R574-L576 PolarHBondContact O-N 3.3Å; R574-L576 VanDerWaalsContact O-N 3.12Å; R574-L577 HydrophobicContact CB-CB 3.83Å; R574-L577 WeakPolarHBondContact O-CB 3.46Å; R574-L577 PolarHBondContact O-N 3.33Å; R574-N578 PolarHBondContact O-N 3.4Å; R574-I665 HydrophobicContact CB-CG1 4.45Å; R574-I665 PolarHBondContact NE-O 3.4Å; R574-I665 PolarHBondContact NH2-O 3.45Å; R574-I665 WeakPolarHBondContact O-CD1 3.5Å; R574-S666 PolarHBondContact NH2-O 3Å; R574-S666 VanDerWaalsContact NH2-O 3.1Å; R574-T667 WeakPolarHBondContact CD-OG1 3.5Å; R574-V772 HydrophobicContact CG-CG2 4.45Å; R574-D775 IonicContact CZ-OD2 3.74Å; R574-D775 IonicContact NH1-OD2 2.81Å; R574-D775 PolarHBondContact NH1-OD2 3.13Å; R574-D775 IonicContact NH2-OD2 2.78Å; R574-D775 PolarHBondContact NH2-OD2 3.39Å
575	Q	98.8	Very high	97.7	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-57.1	-25.1	164.4	-65.6	84.6	12.5	0	0	111.8	H565 R568 I569 H570 K573 N578 C579 I604 I618 I622	H565-Q575 PolarHBondContact NE2-NE2 3.01Å; R568-Q575 PolarHBondContact O-NE2 3.21Å; I569-Q575 HydrophobicContact CD1-CG 4.08Å; H570-Q575 PolarHBondContact O-OE1 3.2Å; K573-Q575 VanDerWaalsContact C-N 3.34Å; K573-Q575 PolarHBondContact O-N 3.14Å; Q575-N578 PolarHBondContact O-N 2.99Å; Q575-C579 WeakPolarHBondContact O-CB 3.41Å; Q575-C579 PolarHBondContact O-N 2.94Å; Q575-I604 HydrophobicContact CG-CG2 4.22Å; Q575-I618 HydrophobicContact CB-CG2 4.01Å; Q575-I622 HydrophobicContact CB-CD1 4.3Å
576	L	98.5	Very high	97.7	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	7%	0.067	C	C	.	.	H	α-helix	trans	-59.3	-48.1	169	-75.4	175.6	0	0	0	112.7	R574 N578 C579 L580 I618 L621 L760 M763 L764	R574-L576 PolarHBondContact O-N 3.3Å; R574-L576 VanDerWaalsContact O-N 3.12Å; L576-N578 VanDerWaalsContact C-N 3.28Å; L576-N578 PolarHBondContact O-N 2.79Å; L576-C579 CarbonylContact O-C 2.96Å; L576-C579 WeakPolarHBondContact O-CA 3.47Å; L576-C579 WeakPolarHBondContact O-CB 3.42Å; L576-C579 PolarHBondContact O-N 2.73Å; L576-L580 WeakPolarHBondContact O-CG 3.22Å; L576-L580 PolarHBondContact O-N 2.56Å; L576-I618 HydrophobicContact CD1-CD1 3.9Å; L576-I618 HydrophobicContact CD1-CG1 3.99Å; L576-I618 HydrophobicContact CD2-CD1 4.48Å; L576-I618 HydrophobicContact CD2-CG1 3.8Å; L576-I618 HydrophobicContact CD2-CG2 4.4Å; L576-I618 HydrophobicContact CG-CD1 3.85Å; L576-I618 HydrophobicContact CG-CG1 3.73Å; L576-I618 HydrophobicContact CG-CG2 4.44Å; L576-L621 HydrophobicContact CD2-CD2 3.87Å; L576-L760 HydrophobicContact CD2-CD1 3.86Å; L576-L760 HydrophobicContact CD2-CD2 3.99Å; L576-L760 HydrophobicContact CD2-CG 4.14Å; L576-M763 HydrophobicContact CD1-CE 3.66Å; L576-L764 HydrophobicContact CD1-CD2 4.31Å
577	L	98.9	Very high	97.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.3	-43.8	177.9	178	57.9	0	0	0	111.1	R574 C579 L580 H581 I665 F710 V772 D775 F776 Y779	R574-L577 HydrophobicContact CB-CB 3.83Å; R574-L577 WeakPolarHBondContact O-CB 3.46Å; R574-L577 PolarHBondContact O-N 3.33Å; L577-C579 VanDerWaalsContact C-N 3.35Å; L577-C579 PolarHBondContact O-N 2.73Å; L577-L580 PolarHBondContact O-N 2.54Å; L577-H581 PolarHBondContact O-N 3.11Å; L577-I665 HydrophobicContact CB-CD1 4.21Å; L577-I665 HydrophobicContact CD2-CD1 4.34Å; L577-I665 HydrophobicContact CG-CD1 4.36Å; L577-F710 HydrophobicContact CD2-CE2 4.16Å; L577-F710 HydrophobicContact CD2-CZ 4.27Å; L577-V772 HydrophobicContact CB-CG1 4.13Å; L577-V772 HydrophobicContact CD1-CG1 4.38Å; L577-D775 HydrophobicContact CD2-CB 4.47Å; L577-F776 HydrophobicContact CD1-CB 4.29Å; L577-F776 HydrophobicContact CD1-CD2 4.03Å; L577-Y779 HydrophobicContact CD1-CD1 3.78Å; L577-Y779 HydrophobicContact CD1-CE1 4.46Å; L577-Y779 HydrophobicContact CD1-CG 4.34Å; L577-Y779 HydrophobicContact CD2-CD1 4.25Å; L577-Y779 HydrophobicContact CD2-CG 4.24Å; L577-Y779 HydrophobicContact CG-CD1 3.69Å; L577-Y779 HydrophobicContact CG-CE1 4.01Å; L577-Y779 HydrophobicContact CG-CG 4.18Å
578	N	98.8	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-42.7	174.1	-164.2	9	0	0	0	111.8	R574 Q575 L576 L580 H581 I582 I665 Y779	R574-N578 PolarHBondContact O-N 3.4Å; Q575-N578 PolarHBondContact O-N 2.99Å; L576-N578 VanDerWaalsContact C-N 3.28Å; L576-N578 PolarHBondContact O-N 2.79Å; N578-L580 VanDerWaalsContact C-N 3.32Å; N578-L580 PolarHBondContact O-N 2.95Å; N578-H581 WeakPolarHBondContact O-CB 3.08Å; N578-H581 PolarHBondContact O-N 2.8Å; N578-I582 WeakPolarHBondContact O-CG1 3.47Å; N578-I582 PolarHBondContact O-N 3.45Å; N578-I665 HydrophobicContact CB-CD1 3.97Å; N578-Y779 PolarHBondContact OD1-OH 3.5Å; N578-Y779 VanDerWaalsContact OD1-OH 3.13Å
579	C	98.8	Very high	97.9	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.007	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-38.6	177.1	-166.4	0	0	0	0	112.7	Q575 L576 L577 I582 I583 I622	Q575-C579 WeakPolarHBondContact O-CB 3.41Å; Q575-C579 PolarHBondContact O-N 2.94Å; L576-C579 CarbonylContact O-C 2.96Å; L576-C579 WeakPolarHBondContact O-CA 3.47Å; L576-C579 WeakPolarHBondContact O-CB 3.42Å; L576-C579 PolarHBondContact O-N 2.73Å; L577-C579 VanDerWaalsContact C-N 3.35Å; L577-C579 PolarHBondContact O-N 2.73Å; C579-I582 WeakPolarHBondContact O-CB 3.43Å; C579-I582 PolarHBondContact O-N 2.84Å; C579-I583 WeakPolarHBondContact O-CG1 3.23Å; C579-I583 PolarHBondContact O-N 3.02Å; C579-I583 VanDerWaalsContact O-N 3.14Å; C579-I622 HydrophobicContact CB-CG1 4.41Å
580	L	98.8	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-42	175.4	-55.4	-172.3	0	0	0	111.4	L576 L577 N578 I582 I583 T584 L737 V740 M741 I744 V772 F773 F776	L576-L580 WeakPolarHBondContact O-CG 3.22Å; L576-L580 PolarHBondContact O-N 2.56Å; L577-L580 PolarHBondContact O-N 2.54Å; N578-L580 VanDerWaalsContact C-N 3.32Å; N578-L580 PolarHBondContact O-N 2.95Å; L580-I582 PolarHBondContact O-N 3.11Å; L580-I583 PolarHBondContact O-N 2.98Å; L580-T584 PolarHBondContact O-N 3.41Å; L580-T584 PolarHBondContact O-OG1 3.45Å; L580-T584 VanDerWaalsContact O-OG1 3.11Å; L580-L737 HydrophobicContact CD1-CD1 3.95Å; L580-V740 HydrophobicContact CB-CG1 4.19Å; L580-V740 HydrophobicContact CD2-CG1 3.63Å; L580-V740 HydrophobicContact CG-CG1 4.43Å; L580-M741 HydrophobicContact CD2-SD 4.12Å; L580-I744 HydrophobicContact CD2-CD1 3.86Å; L580-V772 HydrophobicContact CD1-CG1 3.9Å; L580-F773 HydrophobicContact CD1-CD1 4.2Å; L580-F773 HydrophobicContact CD1-CE1 3.96Å; L580-F776 HydrophobicContact CB-CD2 3.98Å; L580-F776 HydrophobicContact CB-CE2 3.51Å; L580-F776 HydrophobicContact CD1-CD2 4.17Å; L580-F776 HydrophobicContact CD1-CE2 4.37Å
581	H	98.8	Very high	98	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.019	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-42	174.2	165.5	-124.1	0	0	0	112.7	L577 N578 I583 T584 L585 Y779 L780 Q783	L577-H581 PolarHBondContact O-N 3.11Å; N578-H581 WeakPolarHBondContact O-CB 3.08Å; N578-H581 PolarHBondContact O-N 2.8Å; H581-I583 VanDerWaalsContact C-N 3.29Å; H581-I583 PolarHBondContact O-N 3.26Å; H581-T584 WeakPolarHBondContact O-CB 3.26Å; H581-T584 PolarHBondContact O-N 2.89Å; H581-T584 VanDerWaalsContact O-N 3.14Å; H581-L585 WeakPolarHBondContact NE2-CD1 3.42Å; H581-L585 PolarHBondContact O-N 3.04Å; H581-Y779 HydrophobicContact CB-CD1 3.99Å; H581-Y779 HydrophobicContact CB-CE1 3.4Å; H581-Y779 VanDerWaalsContact CB-CE1 3.4Å; H581-Y779 AromaticContact CG-CE1 3.88Å; H581-L780 HydrophobicContact CB-CD2 4.05Å; H581-L780 VanDerWaalsContact CD2-CD2 3.49Å; H581-L780 WeakPolarHBondContact CD2-CD2 3.5Å; H581-Q783 VanDerWaalsContact CE1-CD 3.47Å
582	I	98.8	Very high	97.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-57.5	-44.7	175.3	-67.2	167.9	0	0	0	110.9	N578 C579 L580 T584 L585 Y586 V602 I604 V625 L639 V641	N578-I582 WeakPolarHBondContact O-CG1 3.47Å; N578-I582 PolarHBondContact O-N 3.45Å; C579-I582 WeakPolarHBondContact O-CB 3.43Å; C579-I582 PolarHBondContact O-N 2.84Å; L580-I582 PolarHBondContact O-N 3.11Å; I582-T584 VanDerWaalsContact C-N 3.33Å; I582-L585 PolarHBondContact O-N 2.96Å; I582-Y586 WeakPolarHBondContact O-CB 3.3Å; I582-Y586 PolarHBondContact O-N 3.08Å; I582-V602 HydrophobicContact CD1-CB 4.22Å; I582-V602 HydrophobicContact CD1-CG1 3.63Å; I582-V602 HydrophobicContact CG1-CB 4.39Å; I582-V602 HydrophobicContact CG1-CG1 4.02Å; I582-V602 HydrophobicContact CG1-CG2 4.33Å; I582-I604 HydrophobicContact CD1-CD1 3.93Å; I582-V625 HydrophobicContact CG2-CG1 3.79Å; I582-L639 HydrophobicContact CG2-CD2 4.5Å; I582-V641 HydrophobicContact CD1-CG1 4.02Å; I582-V641 HydrophobicContact CD1-CG2 4.49Å; I582-V641 HydrophobicContact CG2-CG1 4.41Å; I582-V641 HydrophobicContact CG2-CG2 3.39Å
583	I	98.8	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-38.7	178.4	-61.2	164.6	0	0	0	110.5	C579 L580 H581 Y586 N587 V625 V740 I744 F749	C579-I583 WeakPolarHBondContact O-CG1 3.23Å; C579-I583 PolarHBondContact O-N 3.02Å; C579-I583 VanDerWaalsContact O-N 3.14Å; L580-I583 PolarHBondContact O-N 2.98Å; H581-I583 VanDerWaalsContact C-N 3.29Å; H581-I583 PolarHBondContact O-N 3.26Å; I583-Y586 WeakPolarHBondContact O-CB 3.33Å; I583-Y586 PolarHBondContact O-N 3.42Å; I583-N587 WeakPolarHBondContact O-CB 3.4Å; I583-N587 VanDerWaalsContact O-CG 3.26Å; I583-N587 PolarHBondContact O-N 2.7Å; I583-N587 PolarHBondContact O-ND2 3.22Å; I583-V625 HydrophobicContact CD1-CG2 3.87Å; I583-V625 HydrophobicContact CG1-CG1 3.97Å; I583-V625 HydrophobicContact CG1-CG2 3.95Å; I583-V740 HydrophobicContact CB-CG1 3.95Å; I583-V740 HydrophobicContact CB-CG2 4.1Å; I583-V740 HydrophobicContact CD1-CG1 3.83Å; I583-V740 HydrophobicContact CG2-CB 4.19Å; I583-V740 HydrophobicContact CG2-CG1 3.92Å; I583-V740 HydrophobicContact CG2-CG2 3.8Å; I583-I744 HydrophobicContact CD1-CD1 3.84Å; I583-I744 HydrophobicContact CD1-CG1 4.05Å; I583-F749 HydrophobicContact CB-CZ 4.36Å; I583-F749 HydrophobicContact CD1-CD2 4.43Å; I583-F749 HydrophobicContact CD1-CE2 3.76Å; I583-F749 HydrophobicContact CD1-CZ 4.08Å; I583-F749 HydrophobicContact CG1-CE2 3.99Å; I583-F749 HydrophobicContact CG1-CZ 3.77Å; I583-F749 HydrophobicContact CG2-CE2 3.93Å; I583-F749 HydrophobicContact CG2-CZ 3.71Å
584	T	98.6	Very high	97.4	Very high	10 Å²	10	33.5 Å²	33.5	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-48.7	173.6	-58.9	0	0	0	0	111.9	L580 H581 I582 Y586 N587 C588 E736 V740 F776 L780	L580-T584 PolarHBondContact O-N 3.41Å; L580-T584 PolarHBondContact O-OG1 3.45Å; L580-T584 VanDerWaalsContact O-OG1 3.11Å; H581-T584 WeakPolarHBondContact O-CB 3.26Å; H581-T584 PolarHBondContact O-N 2.89Å; H581-T584 VanDerWaalsContact O-N 3.14Å; I582-T584 VanDerWaalsContact C-N 3.33Å; T584-Y586 VanDerWaalsContact C-N 3.33Å; T584-Y586 PolarHBondContact O-N 3.17Å; T584-N587 PolarHBondContact O-N 3.39Å; T584-C588 PolarHBondContact O-N 3.46Å; T584-C588 PolarHBondContact O-SG 3.37Å; T584-C588 VanDerWaalsContact O-SG 3.33Å; T584-E736 HydrophobicContact CG2-CB 4.39Å; T584-E736 HydrophobicContact CG2-CG 4.49Å; T584-V740 WeakPolarHBondContact OG1-CG2 3.49Å; T584-F776 WeakPolarHBondContact OG1-CZ 3.22Å; T584-L780 HydrophobicContact CG2-CD1 4Å; T584-L780 HydrophobicContact CG2-CD2 4.12Å
585	L	98.1	Very high	97	Very high	35 Å²	35	36.8 Å²	36.8	18%	0.183	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-45.9	176	-73.2	178.5	0	0	0	111.5	H581 I582 N587 C588 I589 L639	H581-L585 WeakPolarHBondContact NE2-CD1 3.42Å; H581-L585 PolarHBondContact O-N 3.04Å; I582-L585 PolarHBondContact O-N 2.96Å; L585-N587 PolarHBondContact O-N 2.92Å; L585-C588 PolarHBondContact O-N 2.89Å; L585-I589 VanDerWaalsContact O-CG1 3.28Å; L585-I589 WeakPolarHBondContact O-CG1 3.49Å; L585-I589 PolarHBondContact O-N 3.17Å; L585-L639 HydrophobicContact CB-CD2 3.97Å; L585-L639 HydrophobicContact CD1-CD1 4.32Å
586	Y	98.6	Very high	96.5	Very high	11 Å²	11	42.4 Å²	42.4	4%	0.043	22%	0.224	C	C	.	.	H	α-helix	trans	-56.5	-48.2	175.5	169.6	-103.1	0	0	0	111.9	I582 I583 T584 C588 I589 R590 V628 V629 D632 V635 F748	I582-Y586 WeakPolarHBondContact O-CB 3.3Å; I582-Y586 PolarHBondContact O-N 3.08Å; I583-Y586 WeakPolarHBondContact O-CB 3.33Å; I583-Y586 PolarHBondContact O-N 3.42Å; T584-Y586 VanDerWaalsContact C-N 3.33Å; T584-Y586 PolarHBondContact O-N 3.17Å; Y586-C588 PolarHBondContact O-N 3.13Å; Y586-I589 PolarHBondContact O-N 3.4Å; Y586-R590 HydrophobicContact CD2-CG 4.24Å; Y586-R590 HydrophobicContact CE1-CG 4.19Å; Y586-R590 HydrophobicContact CE2-CG 3.83Å; Y586-R590 WeakPolarHBondContact O-CB 3.37Å; Y586-R590 VanDerWaalsContact O-CG 3.28Å; Y586-R590 WeakPolarHBondContact O-CG 3.38Å; Y586-R590 PolarHBondContact O-N 3.22Å; Y586-V628 HydrophobicContact CE1-CG1 4.48Å; Y586-V628 HydrophobicContact CE2-CG1 4.48Å; Y586-V629 HydrophobicContact CD2-CB 4.45Å; Y586-V629 HydrophobicContact CD2-CG2 3.81Å; Y586-V629 HydrophobicContact CG-CG2 3.99Å; Y586-D632 HydrophobicContact CE2-CB 4.08Å; Y586-D632 PolarHBondContact OH-OD2 3.4Å; Y586-D632 VanDerWaalsContact OH-OD2 3.1Å; Y586-V635 HydrophobicContact CD2-CG2 3.63Å; Y586-V635 HydrophobicContact CE2-CG2 3.69Å; Y586-F748 AromaticContact CE1-CE1 3.87Å; Y586-F748 HydrophobicContact CE1-CE1 3.87Å; Y586-F748 HydrophobicContact CE1-CZ 4.05Å
587	N	98.3	Very high	96.2	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.07	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-41.1	178.4	-73.4	-26.9	0	0	0	112.3	I583 T584 L585 R590 K591 Q743	I583-N587 WeakPolarHBondContact O-CB 3.4Å; I583-N587 VanDerWaalsContact O-CG 3.26Å; I583-N587 PolarHBondContact O-N 2.7Å; I583-N587 PolarHBondContact O-ND2 3.22Å; T584-N587 PolarHBondContact O-N 3.39Å; L585-N587 PolarHBondContact O-N 2.92Å; N587-R590 PolarHBondContact O-N 2.97Å; N587-K591 VanDerWaalsContact O-CB 3.3Å; N587-K591 WeakPolarHBondContact O-CB 3.48Å; N587-K591 PolarHBondContact O-N 2.86Å; N587-Q743 PolarHBondContact ND2-OE1 3.45Å; N587-Q743 PolarHBondContact OD1-NE2 3.41Å; N587-Q743 PolarHBondContact OD1-OE1 2.93Å
588	C	96.7	Very high	96.2	Very high	50 Å²	50	46.1 Å²	46.1	34%	0.338	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-44.8	177	-72.8	0	0	0	0	112	T584 L585 Y586 R590 K591 N592 F597	T584-C588 PolarHBondContact O-N 3.46Å; T584-C588 PolarHBondContact O-SG 3.37Å; T584-C588 VanDerWaalsContact O-SG 3.33Å; L585-C588 PolarHBondContact O-N 2.89Å; Y586-C588 PolarHBondContact O-N 3.13Å; C588-R590 VanDerWaalsContact C-N 3.35Å; C588-R590 PolarHBondContact O-N 3.03Å; C588-K591 PolarHBondContact O-N 3.18Å; C588-N592 PolarHBondContact O-N 3.03Å; C588-F597 HydrophobicContact CB-CE1 4.35Å
589	I	97	Very high	96.1	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-45	175.8	-67.4	164	0	0	0	110.2	L585 Y586 K591 N592 P593 F597 V635 K638 L639	L585-I589 VanDerWaalsContact O-CG1 3.28Å; L585-I589 WeakPolarHBondContact O-CG1 3.49Å; L585-I589 PolarHBondContact O-N 3.17Å; Y586-I589 PolarHBondContact O-N 3.4Å; I589-K591 VanDerWaalsContact C-N 3.34Å; I589-K591 PolarHBondContact O-N 2.81Å; I589-N592 CarbonylContact O-C 3.19Å; I589-N592 VanDerWaalsContact O-C 3.28Å; I589-N592 PolarHBondContact O-N 2.99Å; I589-P593 WeakPolarHBondContact O-CA 3.43Å; I589-F597 HydrophobicContact CB-CE2 4.42Å; I589-F597 HydrophobicContact CG1-CD1 4.1Å; I589-F597 HydrophobicContact CG1-CD2 3.97Å; I589-F597 HydrophobicContact CG1-CE1 4.06Å; I589-F597 HydrophobicContact CG1-CE2 3.94Å; I589-F597 HydrophobicContact CG1-CG 4.06Å; I589-F597 HydrophobicContact CG1-CZ 3.98Å; I589-V635 HydrophobicContact CD1-CG1 4.48Å; I589-V635 HydrophobicContact CG2-CG2 4.21Å; I589-K638 HydrophobicContact CD1-CB 4.2Å; I589-K638 HydrophobicContact CG2-CD 4.29Å; I589-L639 HydrophobicContact CD1-CB 3.9Å; I589-L639 HydrophobicContact CD1-CD2 4.41Å
590	R	96.8	Very high	96.1	Very high	116 Å²	116	48.3 Å²	48.3	44%	0.438	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-37.3	178.4	-75.4	-69.9	-61.7	-161.1	3.9	113.1	Y586 N587 C588 D632	Y586-R590 HydrophobicContact CD2-CG 4.24Å; Y586-R590 HydrophobicContact CE1-CG 4.19Å; Y586-R590 HydrophobicContact CE2-CG 3.83Å; Y586-R590 WeakPolarHBondContact O-CB 3.37Å; Y586-R590 VanDerWaalsContact O-CG 3.28Å; Y586-R590 WeakPolarHBondContact O-CG 3.38Å; Y586-R590 PolarHBondContact O-N 3.22Å; N587-R590 PolarHBondContact O-N 2.97Å; C588-R590 VanDerWaalsContact C-N 3.35Å; C588-R590 PolarHBondContact O-N 3.03Å; R590-D632 VanDerWaalsContact CD-OD2 3.26Å; R590-D632 WeakPolarHBondContact CD-OD2 3.49Å; R590-D632 IonicContact CZ-OD2 2.74Å; R590-D632 IonicContact NE-OD2 3.94Å; R590-D632 VanDerWaalsContact NH1-CG 3.33Å; R590-D632 IonicContact NH1-OD1 3.63Å; R590-D632 PolarHBondContact NH1-OD1 3.49Å; R590-D632 VanDerWaalsContact NH1-OD1 3.11Å; R590-D632 IonicContact NH1-OD2 2.73Å; R590-D632 PolarHBondContact NH1-OD2 2.73Å
591	K	96.7	Very high	96.1	Very high	164 Å²	164	48.4 Å²	48.4	71%	0.713	26%	0.256	S	S	*	.	H	α-helix	trans	-68.6	-41.2	178.4	-173.4	176.8	-179.6	-179.8	0	111.4	N587 C588 I589	N587-K591 VanDerWaalsContact O-CB 3.3Å; N587-K591 WeakPolarHBondContact O-CB 3.48Å; N587-K591 PolarHBondContact O-N 2.86Å; C588-K591 PolarHBondContact O-N 3.18Å; I589-K591 VanDerWaalsContact C-N 3.34Å; I589-K591 PolarHBondContact O-N 2.81Å
592	N	94.6	Very high	96.1	Very high	86 Å²	86	48.2 Å²	48.2	46%	0.46	26%	0.255	S	S	.	.	S	Bend	trans	-133.1	70.3	-175.6	-66.8	-47.2	0	0	0	111.9	C588 I589 N594 V595 F597	C588-N592 PolarHBondContact O-N 3.03Å; I589-N592 CarbonylContact O-C 3.19Å; I589-N592 VanDerWaalsContact O-C 3.28Å; I589-N592 PolarHBondContact O-N 2.99Å; N592-N594 PolarHBondContact O-N 3.18Å; N592-N594 VanDerWaalsContact O-N 3.1Å; N592-V595 HydrophobicContact CB-CB 4.41Å; N592-V595 HydrophobicContact CB-CG2 3.82Å; N592-V595 PolarHBondContact O-N 3.45Å; N592-F597 WeakPolarHBondContact O-CE2 3.23Å
593	P	91.9	Very high	96.1	Very high	46 Å²	46	48.1 Å²	48.1	30%	0.299	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.3	-168.8	26	-35.8	0	0	0	114.6	I589 V634 K638	I589-P593 WeakPolarHBondContact O-CA 3.43Å; P593-V634 HydrophobicContact CB-CG1 3.59Å; P593-V634 HydrophobicContact CG-CG1 4.35Å; P593-K638 PolarHBondContact O-NZ 2.86Å
594	N	91.1	Very high	96.1	Very high	156 Å²	156	48.1 Å²	48.1	83%	0.834	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.9	-177.7	-62.6	-31	0	0	0	113.8	N592	N592-N594 PolarHBondContact O-N 3.18Å; N592-N594 VanDerWaalsContact O-N 3.1Å
595	V	89.9	Confident	96.1	Very high	71 Å²	71	47.7 Å²	47.7	43%	0.43	25%	0.252	S	S	.	.	S	Bend	trans	-73.1	142	177.2	174.4	0	0	0	0	109.2	N592 F597 K638	N592-V595 HydrophobicContact CB-CB 4.41Å; N592-V595 HydrophobicContact CB-CG2 3.82Å; N592-V595 PolarHBondContact O-N 3.45Å; V595-F597 HydrophobicContact CB-CE2 3.96Å; V595-F597 HydrophobicContact CB-CZ 4.33Å; V595-F597 HydrophobicContact CG1-CE2 4.37Å; V595-F597 HydrophobicContact CG1-CZ 4.46Å; V595-F597 WeakPolarHBondContact O-CD2 3.36Å; V595-F597 WeakPolarHBondContact O-CE2 3.25Å; V595-F597 PolarHBondContact O-N 3.14Å; V595-K638 PolarHBondContact O-NZ 2.92Å
596	P	88.3	Confident	96	Very high	119 Å²	119	46 Å²	46	77%	0.773	24%	0.243	S	C	*	.			trans	-65.6	128.2	171.9	25.5	-33.1	0	0	0	110.3
597	F	92.9	Very high	95.8	Very high	59 Å²	59	46.4 Å²	46.4	26%	0.259	25%	0.246	S	C	.	.			trans	-121	146.2	172.2	-68.1	-88.7	0	0	0	108.5	C588 I589 N592 V595 P599 K638	C588-F597 HydrophobicContact CB-CE1 4.35Å; I589-F597 HydrophobicContact CB-CE2 4.42Å; I589-F597 HydrophobicContact CG1-CD1 4.1Å; I589-F597 HydrophobicContact CG1-CD2 3.97Å; I589-F597 HydrophobicContact CG1-CE1 4.06Å; I589-F597 HydrophobicContact CG1-CE2 3.94Å; I589-F597 HydrophobicContact CG1-CG 4.06Å; I589-F597 HydrophobicContact CG1-CZ 3.98Å; N592-F597 WeakPolarHBondContact O-CE2 3.23Å; V595-F597 HydrophobicContact CB-CE2 3.96Å; V595-F597 HydrophobicContact CB-CZ 4.33Å; V595-F597 HydrophobicContact CG1-CE2 4.37Å; V595-F597 HydrophobicContact CG1-CZ 4.46Å; V595-F597 WeakPolarHBondContact O-CD2 3.36Å; V595-F597 WeakPolarHBondContact O-CE2 3.25Å; V595-F597 PolarHBondContact O-N 3.14Å; F597-P599 VanDerWaalsContact O-CD 3.24Å; F597-P599 WeakPolarHBondContact O-CD 3.34Å; F597-K638 HydrophobicContact CD2-CD 4.23Å
598	V	97.1	Very high	95.6	Very high	22 Å²	22	45.9 Å²	45.9	13%	0.133	24%	0.243	C	C	.	.			trans	-68.4	118.3	167.2	178	0	0	0	0	107.9	M561 R600 S787 Y790 Q791	M561-V598 HydrophobicContact CE-CG1 3.83Å; V598-R600 PolarHBondContact O-N 3.33Å; V598-S787 WeakPolarHBondContact CG2-O 3.39Å; V598-Y790 HydrophobicContact CG1-CD1 3.62Å; V598-Y790 HydrophobicContact CG1-CE1 4.34Å; V598-Y790 HydrophobicContact CG1-CG 4.34Å; V598-Q791 HydrophobicContact CG2-CG 3.78Å
599	P	98	Very high	95.3	Very high	42 Å²	42	45.6 Å²	45.6	27%	0.273	24%	0.244	S	C	.	.			trans	-63.5	136.2	-179.4	-22.5	34.8	0	0	0	110.9	S560 M561 F597 K638	S560-P599 CarbonylContact C-O 3.56Å; S560-P599 WeakPolarHBondContact CA-O 3.48Å; S560-P599 VanDerWaalsContact CB-O 3.3Å; S560-P599 WeakPolarHBondContact CB-O 3.41Å; M561-P599 PolarHBondContact N-O 3.3Å; F597-P599 VanDerWaalsContact O-CD 3.24Å; F597-P599 WeakPolarHBondContact O-CD 3.34Å; P599-K638 CarbonylContact C-O 3.51Å; P599-K638 VanDerWaalsContact CA-O 3.26Å; P599-K638 WeakPolarHBondContact CA-O 3.28Å
600	R	98.5	Very high	94.8	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.019	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.5	178.3	-66.9	-167.7	179.7	-145.8	4.6	112.5	M561 D563 V598 V602 K638 L639 K640 Q783 S787	M561-R600 HydrophobicContact CB-CG 4.44Å; M561-R600 HydrophobicContact CE-CG 4.04Å; D563-R600 IonicContact OD2-NH1 2.7Å; D563-R600 PolarHBondContact OD2-NH1 2.97Å; V598-R600 PolarHBondContact O-N 3.33Å; R600-V602 HydrophobicContact CB-CG2 4.3Å; R600-K638 PolarHBondContact N-O 3.33Å; R600-L639 HydrophobicContact CB-CD1 4.06Å; R600-L639 WeakPolarHBondContact O-CA 3.42Å; R600-K640 PolarHBondContact O-N 3.3Å; R600-Q783 PolarHBondContact NH2-O 3.4Å; R600-Q783 VanDerWaalsContact NH2-OE1 3.13Å; R600-S787 PolarHBondContact NH2-OG 3.47Å
601	T	98.7	Very high	94.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	103.1	160.8	-60.1	0	0	0	0	107.7	I556 S560 M561 D563 I603 K640 I642	I556-T601 HydrophobicContact CB-CG2 4.12Å; I556-T601 HydrophobicContact CD1-CG2 4.08Å; I556-T601 HydrophobicContact CG2-CG2 3.92Å; S560-T601 PolarHBondContact OG-N 3.44Å; S560-T601 PolarHBondContact OG-OG1 2.9Å; M561-T601 PolarHBondContact O-N 3.48Å; D563-T601 PolarHBondContact N-O 2.74Å; T601-I603 HydrophobicContact CG2-CD1 4.22Å; T601-I603 HydrophobicContact CG2-CG1 3.97Å; T601-K640 CarbonylContact C-O 3.51Å; T601-K640 WeakPolarHBondContact CA-O 2.97Å; T601-K640 HydrophobicContact CG2-CB 4.34Å; T601-I642 HydrophobicContact CG2-CG1 4.3Å
602	V	98.8	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120.3	178.7	-172.5	0	0	0	0	109.2	D563 I582 R600 I604 L639 K640 V641 I642	D563-V602 HydrophobicContact CB-CG2 4.2Å; D563-V602 CarbonylContact O-C 3.08Å; D563-V602 VanDerWaalsContact O-CA 3.31Å; D563-V602 WeakPolarHBondContact O-CA 3.41Å; I582-V602 HydrophobicContact CD1-CB 4.22Å; I582-V602 HydrophobicContact CD1-CG1 3.63Å; I582-V602 HydrophobicContact CG1-CB 4.39Å; I582-V602 HydrophobicContact CG1-CG1 4.02Å; I582-V602 HydrophobicContact CG1-CG2 4.33Å; R600-V602 HydrophobicContact CB-CG2 4.3Å; V602-I604 HydrophobicContact CG1-CG1 4.36Å; V602-L639 HydrophobicContact CG2-CD1 3.98Å; V602-K640 PolarHBondContact N-O 3.05Å; V602-V641 CarbonylContact O-C 3.56Å; V602-V641 WeakPolarHBondContact O-CA 3.27Å; V602-I642 PolarHBondContact O-N 2.94Å
603	I	98.7	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	110.8	-173.8	-57.8	157.5	0	0	0	108.3	F544 F562 D563 V564 H565 T601 I642 L644	F544-I603 HydrophobicContact CE1-CD1 3.88Å; F562-I603 HydrophobicContact CD2-CD1 4.37Å; F562-I603 HydrophobicContact CG-CD1 4.42Å; D563-I603 PolarHBondContact O-N 2.9Å; V564-I603 CarbonylContact C-O 3.59Å; V564-I603 WeakPolarHBondContact CA-O 3.47Å; V564-I603 HydrophobicContact CG2-CB 4.12Å; V564-I603 HydrophobicContact CG2-CD1 3.94Å; H565-I603 PolarHBondContact N-O 3.26Å; T601-I603 HydrophobicContact CG2-CD1 4.22Å; T601-I603 HydrophobicContact CG2-CG1 3.97Å; I603-I642 WeakPolarHBondContact CA-O 3.28Å; I603-I642 HydrophobicContact CG1-CB 4.43Å; I603-L644 HydrophobicContact CG2-CB 3.96Å; I603-L644 HydrophobicContact CG2-CD2 4.2Å
604	I	98.8	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.3	175.6	-54	-178.5	0	0	0	108.5	H565 Q575 I582 V602 I622 I642 F643 L644	H565-I604 HydrophobicContact CB-CG1 4.28Å; H565-I604 WeakPolarHBondContact O-CA 2.9Å; Q575-I604 HydrophobicContact CG-CG2 4.22Å; I582-I604 HydrophobicContact CD1-CD1 3.93Å; V602-I604 HydrophobicContact CG1-CG1 4.36Å; I604-I622 HydrophobicContact CB-CG2 4.31Å; I604-I622 HydrophobicContact CD1-CD1 4.15Å; I604-I622 HydrophobicContact CD1-CG1 4.19Å; I604-I622 HydrophobicContact CD1-CG2 4.1Å; I604-I622 HydrophobicContact CG2-CD1 3.86Å; I604-I642 PolarHBondContact N-O 3.43Å; I604-F643 CarbonylContact O-C 3.6Å; I604-F643 VanDerWaalsContact O-CA 3.25Å; I604-F643 WeakPolarHBondContact O-CA 3.14Å; I604-L644 PolarHBondContact O-N 3.04Å
605	G	97.8	Very high	94.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	145.6	179.7	0	0	0	0	0	112.8	H565 V566 K567	H565-G605 PolarHBondContact O-N 3.33Å; V566-G605 CarbonylContact C-O 3.16Å; V566-G605 VanDerWaalsContact CA-O 3.26Å; V566-G605 WeakPolarHBondContact CA-O 3.44Å; K567-G605 PolarHBondContact N-O 3.46Å
606	G	96.6	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.			trans	163.1	153.8	-176.4	0	0	0	0	0	113.2	Q169 K567 F643	Q169-G606 PolarHBondContact NE2-O 3.21Å; K567-G606 WeakPolarHBondContact O-CA 3.48Å; G606-F643 WeakPolarHBondContact O-CZ 3.44Å
607	K	95.4	Very high	95.2	Very high	20 Å²	20	24.5 Å²	24.5	9%	0.087	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-93.9	138.1	172.5	-60.1	-176.5	-176.8	-176	0	109.9	I166 F167 Q169 R568 I569 N646 Y647	I166-K607 HydrophobicContact CD1-CD 4.4Å; I166-K607 HydrophobicContact CG1-CD 3.71Å; F167-K607 HydrophobicContact CE2-CB 4.27Å; F167-K607 HydrophobicContact CE2-CD 4.05Å; F167-K607 HydrophobicContact CE2-CG 4.28Å; F167-K607 HydrophobicContact CZ-CB 3.92Å; F167-K607 HydrophobicContact CZ-CD 4.22Å; F167-K607 HydrophobicContact CZ-CG 4.39Å; F167-K607 WeakPolarHBondContact O-CE 3.36Å; F167-K607 PolarHBondContact O-NZ 2.69Å; Q169-K607 HydrophobicContact CB-CG 4.21Å; R568-K607 WeakPolarHBondContact CG-O 3.37Å; I569-K607 PolarHBondContact N-O 2.87Å; K607-N646 WeakPolarHBondContact CE-OD1 2.9Å; K607-N646 PolarHBondContact NZ-OD1 3.17Å; K607-Y647 WeakPolarHBondContact CE-O 3.27Å
608	A	93.8	Very high	95.5	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.017	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-90.9	144.8	165.8	0	0	0	0	0	109.5	F167 Q176 I569 A615 K616 I619	F167-A608 VanDerWaalsContact CZ-O 3.27Å; F167-A608 WeakPolarHBondContact CZ-O 3.36Å; Q176-A608 PolarHBondContact NE2-O 3.45Å; I569-A608 HydrophobicContact CB-CB 4.35Å; A608-A615 HydrophobicContact CB-CB 3.61Å; A608-K616 HydrophobicContact CB-CG 3.95Å; A608-I619 HydrophobicContact CB-CD1 3.68Å
609	A	89.3	Confident	95.6	Very high	44 Å²	44	20.7 Å²	20.7	36%	0.364	12%	0.121	S	C	.	.	P	Polyproline II helix	trans	-62.1	142.5	172	0	0	0	0	0	109.9	G611 Y612	A609-G611 PolarHBondContact O-N 3.02Å; A609-G611 VanDerWaalsContact O-N 3.16Å; A609-Y612 PolarHBondContact O-N 3.05Å
610	P	86.6	Confident	95.6	Very high	63 Å²	63	19.8 Å²	19.8	41%	0.409	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.2	-171.3	-26.3	35.6	0	0	0	113.8	F167 E178 K616	F167-P610 HydrophobicContact CD1-CG 4.03Å; F167-P610 HydrophobicContact CE1-CG 3.75Å; E178-P610 HydrophobicContact CG-CB 4.33Å; E178-P610 HydrophobicContact CG-CG 4.1Å; P610-K616 VanDerWaalsContact O-CE 3.27Å; P610-K616 WeakPolarHBondContact O-CE 2.9Å; P610-K616 PolarHBondContact O-NZ 2.79Å; P610-K616 VanDerWaalsContact O-NZ 3.08Å
611	G	85.4	Confident	95.6	Very high	38 Å²	38	19.5 Å²	19.5	39%	0.392	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.8	177.8	0	0	0	0	0	115.4	A609 H613	A609-G611 PolarHBondContact O-N 3.02Å; A609-G611 VanDerWaalsContact O-N 3.16Å; G611-H613 PolarHBondContact O-N 3.49Å
612	Y	90	Very high	95.6	Very high	53 Å²	53	19.5 Å²	19.5	21%	0.208	11%	0.112	C	C	.	.			trans	-94.2	90.4	-175.1	-167.5	-0.6	0	0	0	111.3	H570 E571 A609 M614 A615 K616	H570-Y612 AromaticContact CD2-CE2 3.92Å; H570-Y612 AromaticContact CE1-CE2 3.94Å; H570-Y612 PolarHBondContact CE1-OH 3.44Å; H570-Y612 AromaticContact CG-CE2 3.97Å; H570-Y612 AromaticContact ND1-CE2 3.98Å; H570-Y612 PolarHBondContact ND1-OH 3.05Å; H570-Y612 AromaticContact NE2-CE2 3.92Å; E571-Y612 VanDerWaalsContact CD-OH 3.28Å; E571-Y612 VanDerWaalsContact CG-OH 3.31Å; E571-Y612 WeakPolarHBondContact CG-OH 3.31Å; E571-Y612 VanDerWaalsContact OE2-CE1 3.26Å; E571-Y612 WeakPolarHBondContact OE2-CE1 3.47Å; E571-Y612 VanDerWaalsContact OE2-CZ 3.27Å; E571-Y612 PolarHBondContact OE2-OH 3.21Å; A609-Y612 PolarHBondContact O-N 3.05Å; Y612-M614 HydrophobicContact CD1-CB 4.22Å; Y612-M614 HydrophobicContact CE1-CB 3.76Å; Y612-M614 PolarHBondContact O-N 2.94Å; Y612-A615 HydrophobicContact CD1-CB 4.09Å; Y612-A615 HydrophobicContact CD2-CB 3.54Å; Y612-A615 HydrophobicContact CE1-CB 4.46Å; Y612-A615 HydrophobicContact CE2-CB 3.95Å; Y612-A615 HydrophobicContact CG-CB 3.61Å; Y612-A615 PolarHBondContact O-N 3.37Å; Y612-K616 PolarHBondContact O-N 3.31Å; Y612-K616 VanDerWaalsContact O-N 3.17Å
613	H	94.4	Very high	95.6	Very high	101 Å²	101	20 Å²	20	47%	0.468	11%	0.114	S	C	.	.	H	α-helix	trans	-52.6	-53.3	-178.5	179.6	60.6	0	0	0	113.2	G611 A615 K616 M617 D759	G611-H613 PolarHBondContact O-N 3.49Å; H613-A615 VanDerWaalsContact C-N 3.33Å; H613-A615 PolarHBondContact O-N 3.01Å; H613-K616 PolarHBondContact O-N 3.42Å; H613-K616 VanDerWaalsContact O-N 3.08Å; H613-M617 WeakPolarHBondContact O-CG 3.01Å; H613-M617 PolarHBondContact O-N 2.96Å; H613-D759 IonicContact CD2-OD2 2.84Å; H613-D759 IonicContact NE2-OD2 3.53Å; H613-D759 PolarHBondContact NE2-OD2 3.36Å
614	M	96.8	Very high	95.6	Very high	22 Å²	22	20.3 Å²	20.3	11%	0.108	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-40.6	-177	-168.9	57.3	65.8	0	0	112.2	E571 Y612 K616 M617 I618 L760 M763	E571-M614 HydrophobicContact CG-CB 4.41Å; E571-M614 HydrophobicContact CG-CG 3.76Å; Y612-M614 HydrophobicContact CD1-CB 4.22Å; Y612-M614 HydrophobicContact CE1-CB 3.76Å; Y612-M614 PolarHBondContact O-N 2.94Å; M614-K616 VanDerWaalsContact C-N 3.34Å; M614-K616 PolarHBondContact O-N 3.16Å; M614-M617 WeakPolarHBondContact O-CB 3.39Å; M614-M617 PolarHBondContact O-N 2.82Å; M614-M617 HydrophobicContact SD-CB 4.41Å; M614-I618 HydrophobicContact CG-CD1 4.44Å; M614-I618 VanDerWaalsContact O-CG1 3.28Å; M614-I618 WeakPolarHBondContact O-CG1 3.09Å; M614-I618 PolarHBondContact O-N 2.96Å; M614-L760 HydrophobicContact SD-CB 4.15Å; M614-L760 HydrophobicContact SD-CG 4.26Å; M614-M763 HydrophobicContact CE-CB 3.64Å; M614-M763 HydrophobicContact CE-CE 4.46Å; M614-M763 HydrophobicContact CE-CG 3.99Å; M614-M763 HydrophobicContact CG-CE 4.15Å; M614-M763 HydrophobicContact SD-CE 4.02Å
615	A	96.6	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	-62.7	-38.6	175.7	0	0	0	0	0	112.7	I569 A608 Y612 H613 I618 I619	I569-A615 HydrophobicContact CB-CB 4.33Å; I569-A615 HydrophobicContact CG2-CB 3.97Å; I569-A615 WeakPolarHBondContact CG2-O 3.23Å; A608-A615 HydrophobicContact CB-CB 3.61Å; Y612-A615 HydrophobicContact CD1-CB 4.09Å; Y612-A615 HydrophobicContact CD2-CB 3.54Å; Y612-A615 HydrophobicContact CE1-CB 4.46Å; Y612-A615 HydrophobicContact CE2-CB 3.95Å; Y612-A615 HydrophobicContact CG-CB 3.61Å; Y612-A615 PolarHBondContact O-N 3.37Å; H613-A615 VanDerWaalsContact C-N 3.33Å; H613-A615 PolarHBondContact O-N 3.01Å; A615-I618 PolarHBondContact O-N 3.32Å; A615-I619 PolarHBondContact O-N 3.04Å
616	K	97.6	Very high	95.6	Very high	38 Å²	38	20.7 Å²	20.7	17%	0.165	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-37.9	172.8	-71.1	-172.7	171.1	-172.5	0	112.2	E178 A608 P610 Y612 H613 M614 I618 I619 K620	E178-K616 VanDerWaalsContact CD-NZ 3.27Å; E178-K616 WeakPolarHBondContact OE1-CE 3.5Å; E178-K616 IonicContact OE1-NZ 3.74Å; E178-K616 PolarHBondContact OE1-NZ 3Å; E178-K616 IonicContact OE2-NZ 3.51Å; E178-K616 PolarHBondContact OE2-NZ 2.9Å; A608-K616 HydrophobicContact CB-CG 3.95Å; P610-K616 VanDerWaalsContact O-CE 3.27Å; P610-K616 WeakPolarHBondContact O-CE 2.9Å; P610-K616 PolarHBondContact O-NZ 2.79Å; P610-K616 VanDerWaalsContact O-NZ 3.08Å; Y612-K616 PolarHBondContact O-N 3.31Å; Y612-K616 VanDerWaalsContact O-N 3.17Å; H613-K616 PolarHBondContact O-N 3.42Å; H613-K616 VanDerWaalsContact O-N 3.08Å; M614-K616 VanDerWaalsContact C-N 3.34Å; M614-K616 PolarHBondContact O-N 3.16Å; K616-I618 VanDerWaalsContact C-N 3.31Å; K616-I618 PolarHBondContact O-N 3.28Å; K616-I619 PolarHBondContact O-N 3.31Å; K616-K620 PolarHBondContact O-N 2.93Å
617	M	98.3	Very high	95.6	Very high	5 Å²	5	25 Å²	25	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-38.8	173.2	-71.3	-56.9	-58.1	0	0	112.2	W175 H613 M614 K620 L621 L756 F757 L760	W175-M617 HydrophobicContact CH2-CE 4.32Å; W175-M617 HydrophobicContact CH2-SD 3.44Å; W175-M617 WeakPolarHBondContact CH2-SD 3.13Å; W175-M617 HydrophobicContact CZ3-SD 3.73Å; H613-M617 WeakPolarHBondContact O-CG 3.01Å; H613-M617 PolarHBondContact O-N 2.96Å; M614-M617 WeakPolarHBondContact O-CB 3.39Å; M614-M617 PolarHBondContact O-N 2.82Å; M614-M617 HydrophobicContact SD-CB 4.41Å; M617-K620 PolarHBondContact O-N 2.99Å; M617-L621 PolarHBondContact O-N 2.8Å; M617-L756 HydrophobicContact CE-CD1 4.45Å; M617-L756 WeakPolarHBondContact CE-O 3.44Å; M617-F757 HydrophobicContact CE-CD1 3.8Å; M617-F757 HydrophobicContact CE-CE1 4.24Å; M617-L760 HydrophobicContact CB-CD1 4.48Å
618	I	98.7	Very high	95.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-45.9	175.5	-67.4	168.2	0	0	0	110.9	I569 E571 Q575 L576 M614 A615 K616 K620 L621 I622	I569-I618 HydrophobicContact CG2-CB 4.04Å; I569-I618 HydrophobicContact CG2-CD1 4.48Å; I569-I618 HydrophobicContact CG2-CG2 3.92Å; E571-I618 HydrophobicContact CG-CD1 4.27Å; Q575-I618 HydrophobicContact CB-CG2 4.01Å; L576-I618 HydrophobicContact CD1-CD1 3.9Å; L576-I618 HydrophobicContact CD1-CG1 3.99Å; L576-I618 HydrophobicContact CD2-CD1 4.48Å; L576-I618 HydrophobicContact CD2-CG1 3.8Å; L576-I618 HydrophobicContact CD2-CG2 4.4Å; L576-I618 HydrophobicContact CG-CD1 3.85Å; L576-I618 HydrophobicContact CG-CG1 3.73Å; L576-I618 HydrophobicContact CG-CG2 4.44Å; M614-I618 HydrophobicContact CG-CD1 4.44Å; M614-I618 VanDerWaalsContact O-CG1 3.28Å; M614-I618 WeakPolarHBondContact O-CG1 3.09Å; M614-I618 PolarHBondContact O-N 2.96Å; A615-I618 PolarHBondContact O-N 3.32Å; K616-I618 VanDerWaalsContact C-N 3.31Å; K616-I618 PolarHBondContact O-N 3.28Å; I618-K620 VanDerWaalsContact C-N 3.27Å; I618-K620 PolarHBondContact O-N 2.52Å; I618-L621 PolarHBondContact O-N 3.16Å; I618-I622 HydrophobicContact CG2-CD1 3.8Å; I618-I622 WeakPolarHBondContact O-CD1 3.23Å; I618-I622 VanDerWaalsContact O-CG1 3.32Å; I618-I622 WeakPolarHBondContact O-CG1 3.42Å; I618-I622 PolarHBondContact O-N 2.99Å
619	I	98.8	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.1	-45.1	174.3	-65.8	173.5	0	0	0	110.3	I171 Q176 I569 A608 A615 K616 L621 I622 T623 F643	I171-I619 HydrophobicContact CD1-CG2 3.99Å; Q176-I619 HydrophobicContact CB-CD1 3.96Å; Q176-I619 VanDerWaalsContact OE1-CD1 3.27Å; I569-I619 HydrophobicContact CG1-CD1 3.99Å; I569-I619 HydrophobicContact CG1-CG1 3.86Å; I569-I619 HydrophobicContact CG2-CG1 4.35Å; A608-I619 HydrophobicContact CB-CD1 3.68Å; A615-I619 PolarHBondContact O-N 3.04Å; K616-I619 PolarHBondContact O-N 3.31Å; I619-L621 VanDerWaalsContact C-N 3.35Å; I619-L621 PolarHBondContact O-N 2.94Å; I619-I622 PolarHBondContact O-N 3.25Å; I619-T623 WeakPolarHBondContact O-CG2 3.43Å; I619-T623 PolarHBondContact O-N 3.44Å; I619-T623 PolarHBondContact O-OG1 2.67Å; I619-F643 HydrophobicContact CB-CE2 4.28Å; I619-F643 HydrophobicContact CB-CZ 4.35Å; I619-F643 HydrophobicContact CD1-CZ 4.11Å; I619-F643 HydrophobicContact CG1-CE2 3.92Å; I619-F643 HydrophobicContact CG1-CZ 3.85Å; I619-F643 HydrophobicContact CG2-CD2 4.43Å; I619-F643 HydrophobicContact CG2-CE1 4.19Å; I619-F643 HydrophobicContact CG2-CE2 3.9Å; I619-F643 HydrophobicContact CG2-CZ 3.75Å
620	K	98.7	Very high	96.3	Very high	22 Å²	22	25.6 Å²	25.6	10%	0.096	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-39.7	179	-179.5	57.4	-172.1	162.6	0	112.5	D173 G174 W175 K616 M617 I618 T623 S624 L756 F757	D173-K620 PolarHBondContact O-NZ 3.24Å; G174-K620 WeakPolarHBondContact O-CA 3.43Å; G174-K620 WeakPolarHBondContact O-CD 3.23Å; W175-K620 HydrophobicContact CD2-CB 4.05Å; W175-K620 HydrophobicContact CD2-CD 3.94Å; W175-K620 HydrophobicContact CD2-CG 3.99Å; W175-K620 HydrophobicContact CE3-CB 3.8Å; W175-K620 HydrophobicContact CE3-CG 4.19Å; W175-K620 HydrophobicContact CG-CD 4.17Å; W175-K620 HydrophobicContact CH2-CB 4.08Å; W175-K620 HydrophobicContact CH2-CG 3.96Å; W175-K620 HydrophobicContact CZ2-CB 4.3Å; W175-K620 HydrophobicContact CZ2-CD 4.22Å; W175-K620 HydrophobicContact CZ2-CG 3.73Å; W175-K620 HydrophobicContact CZ3-CB 3.8Å; W175-K620 HydrophobicContact CZ3-CG 4.17Å; K616-K620 PolarHBondContact O-N 2.93Å; M617-K620 PolarHBondContact O-N 2.99Å; I618-K620 VanDerWaalsContact C-N 3.27Å; I618-K620 PolarHBondContact O-N 2.52Å; K620-T623 PolarHBondContact O-OG1 3.07Å; K620-S624 VanDerWaalsContact O-CB 3.29Å; K620-S624 WeakPolarHBondContact O-CB 3.18Å; K620-S624 PolarHBondContact O-N 3.44Å; K620-S624 PolarHBondContact O-OG 3.29Å; K620-L756 HydrophobicContact CG-CD2 4.19Å; K620-F757 HydrophobicContact CB-CE1 4.38Å; K620-F757 HydrophobicContact CG-CE1 4.01Å; K620-F757 HydrophobicContact CG-CZ 4.2Å
621	L	98.8	Very high	96.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-47.6	176.1	179.4	62.9	0	0	0	111.2	L576 M617 I618 I619 T623 S624 V625 I744 F757 L760	L576-L621 HydrophobicContact CD2-CD2 3.87Å; M617-L621 PolarHBondContact O-N 2.8Å; I618-L621 PolarHBondContact O-N 3.16Å; I619-L621 VanDerWaalsContact C-N 3.35Å; I619-L621 PolarHBondContact O-N 2.94Å; L621-T623 VanDerWaalsContact C-N 3.33Å; L621-T623 PolarHBondContact O-N 2.95Å; L621-S624 WeakPolarHBondContact O-CB 3.31Å; L621-S624 PolarHBondContact O-N 3.29Å; L621-V625 HydrophobicContact CD1-CG2 4.11Å; L621-V625 HydrophobicContact CG-CG2 4.4Å; L621-V625 WeakPolarHBondContact O-CG2 3.31Å; L621-V625 PolarHBondContact O-N 2.92Å; L621-I744 HydrophobicContact CD1-CG1 4.39Å; L621-I744 HydrophobicContact CD1-CG2 4.41Å; L621-I744 HydrophobicContact CD2-CD1 4.35Å; L621-F757 HydrophobicContact CB-CD1 4.14Å; L621-F757 HydrophobicContact CB-CE1 3.7Å; L621-F757 HydrophobicContact CB-CZ 4.15Å; L621-F757 HydrophobicContact CD1-CD1 4.13Å; L621-F757 HydrophobicContact CD1-CD2 4Å; L621-F757 HydrophobicContact CD1-CE1 4.02Å; L621-F757 HydrophobicContact CD1-CE2 3.85Å; L621-F757 HydrophobicContact CD1-CG 4.14Å; L621-F757 HydrophobicContact CD1-CZ 3.87Å; L621-F757 HydrophobicContact CG-CE1 4.47Å; L621-L760 HydrophobicContact CB-CD1 4.12Å; L621-L760 HydrophobicContact CD2-CD1 3.73Å; L621-L760 HydrophobicContact CD2-CD2 4.15Å
622	I	98.8	Very high	97.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-58.9	-45.7	-179.6	-66.4	158.1	0	0	0	110.9	Q575 C579 I604 I618 I619 V625 A626 F643	Q575-I622 HydrophobicContact CB-CD1 4.3Å; C579-I622 HydrophobicContact CB-CG1 4.41Å; I604-I622 HydrophobicContact CB-CG2 4.31Å; I604-I622 HydrophobicContact CD1-CD1 4.15Å; I604-I622 HydrophobicContact CD1-CG1 4.19Å; I604-I622 HydrophobicContact CD1-CG2 4.1Å; I604-I622 HydrophobicContact CG2-CD1 3.86Å; I618-I622 HydrophobicContact CG2-CD1 3.8Å; I618-I622 WeakPolarHBondContact O-CD1 3.23Å; I618-I622 VanDerWaalsContact O-CG1 3.32Å; I618-I622 WeakPolarHBondContact O-CG1 3.42Å; I618-I622 PolarHBondContact O-N 2.99Å; I619-I622 PolarHBondContact O-N 3.25Å; I622-V625 PolarHBondContact O-N 3.15Å; I622-A626 WeakPolarHBondContact O-CB 3.46Å; I622-A626 PolarHBondContact O-N 2.98Å; I622-F643 HydrophobicContact CB-CD2 4.39Å; I622-F643 HydrophobicContact CG2-CB 4.49Å; I622-F643 HydrophobicContact CG2-CD2 3.94Å
623	T	98.5	Very high	97.5	Very high	9 Å²	9	30.6 Å²	30.6	6%	0.055	17%	0.167	C	C	.	.	H	α-helix	trans	-67.5	-39.9	178.6	55.6	0	0	0	0	112	I171 G174 I619 K620 L621 V625 A626 D627 F643	I171-T623 HydrophobicContact CG2-CG2 4.16Å; G174-T623 VanDerWaalsContact CA-OG1 3.22Å; G174-T623 WeakPolarHBondContact CA-OG1 3.17Å; G174-T623 PolarHBondContact O-OG1 3.21Å; I619-T623 WeakPolarHBondContact O-CG2 3.43Å; I619-T623 PolarHBondContact O-N 3.44Å; I619-T623 PolarHBondContact O-OG1 2.67Å; K620-T623 PolarHBondContact O-OG1 3.07Å; L621-T623 VanDerWaalsContact C-N 3.33Å; L621-T623 PolarHBondContact O-N 2.95Å; T623-V625 PolarHBondContact O-N 3.33Å; T623-A626 WeakPolarHBondContact O-CB 3.28Å; T623-A626 PolarHBondContact O-N 3.16Å; T623-D627 VanDerWaalsContact O-CG 3.25Å; T623-D627 PolarHBondContact O-N 3.28Å; T623-F643 HydrophobicContact CG2-CB 3.85Å; T623-F643 HydrophobicContact CG2-CG 4.09Å
624	S	98.6	Very high	97.6	Very high	8 Å²	8	28.7 Å²	28.7	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-40.3	173.3	-90.1	0	0	0	0	113.3	K620 L621 V628 F749	K620-S624 VanDerWaalsContact O-CB 3.29Å; K620-S624 WeakPolarHBondContact O-CB 3.18Å; K620-S624 PolarHBondContact O-N 3.44Å; K620-S624 PolarHBondContact O-OG 3.29Å; L621-S624 WeakPolarHBondContact O-CB 3.31Å; L621-S624 PolarHBondContact O-N 3.29Å; S624-V628 PolarHBondContact O-N 3.34Å; S624-F749 VanDerWaalsContact CB-O 3.3Å; S624-F749 WeakPolarHBondContact CB-O 3.29Å; S624-F749 PolarHBondContact OG-O 3.28Å
625	V	98.7	Very high	97.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-44	174.6	170.9	0	0	0	0	110.3	I582 I583 L621 I622 T623 D627 V628 V629 F749	I582-V625 HydrophobicContact CG2-CG1 3.79Å; I583-V625 HydrophobicContact CD1-CG2 3.87Å; I583-V625 HydrophobicContact CG1-CG1 3.97Å; I583-V625 HydrophobicContact CG1-CG2 3.95Å; L621-V625 HydrophobicContact CD1-CG2 4.11Å; L621-V625 HydrophobicContact CG-CG2 4.4Å; L621-V625 WeakPolarHBondContact O-CG2 3.31Å; L621-V625 PolarHBondContact O-N 2.92Å; I622-V625 PolarHBondContact O-N 3.15Å; T623-V625 PolarHBondContact O-N 3.33Å; V625-D627 VanDerWaalsContact C-N 3.31Å; V625-D627 PolarHBondContact O-N 3.33Å; V625-V628 PolarHBondContact O-N 2.99Å; V625-V629 HydrophobicContact CG1-CG2 4.04Å; V625-V629 VanDerWaalsContact O-CG2 3.31Å; V625-V629 WeakPolarHBondContact O-CG2 3.49Å; V625-V629 PolarHBondContact O-N 2.97Å; V625-F749 HydrophobicContact CB-CD1 4.33Å; V625-F749 HydrophobicContact CB-CE1 4.44Å; V625-F749 HydrophobicContact CG1-CE1 4.38Å; V625-F749 HydrophobicContact CG2-CD1 3.83Å; V625-F749 HydrophobicContact CG2-CD2 4.3Å; V625-F749 HydrophobicContact CG2-CE1 4.03Å; V625-F749 HydrophobicContact CG2-CE2 4.47Å; V625-F749 HydrophobicContact CG2-CG 3.98Å; V625-F749 HydrophobicContact CG2-CZ 4.36Å
626	A	97.6	Very high	97.2	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-42.9	176.1	0	0	0	0	0	112.4	I622 T623 V628 V629 N630 V641	I622-A626 WeakPolarHBondContact O-CB 3.46Å; I622-A626 PolarHBondContact O-N 2.98Å; T623-A626 WeakPolarHBondContact O-CB 3.28Å; T623-A626 PolarHBondContact O-N 3.16Å; A626-V628 VanDerWaalsContact C-N 3.3Å; A626-V628 PolarHBondContact O-N 3.46Å; A626-V629 PolarHBondContact O-N 3.13Å; A626-N630 WeakPolarHBondContact O-CB 3.25Å; A626-N630 PolarHBondContact O-N 3.14Å; A626-N630 PolarHBondContact O-ND2 2.88Å; A626-V641 HydrophobicContact CB-CB 3.93Å; A626-V641 HydrophobicContact CB-CG1 3.89Å; A626-V641 VanDerWaalsContact CB-O 3.25Å; A626-V641 WeakPolarHBondContact CB-O 3.33Å
627	D	96.9	Very high	96.9	Very high	91 Å²	91	31.9 Å²	31.9	49%	0.487	19%	0.189	S	C	.	.	H	α-helix	trans	-59.8	-40.2	177.9	-72.8	-20.5	0	0	0	111.9	T623 V625 N631	T623-D627 VanDerWaalsContact O-CG 3.25Å; T623-D627 PolarHBondContact O-N 3.28Å; V625-D627 VanDerWaalsContact C-N 3.31Å; V625-D627 PolarHBondContact O-N 3.33Å; D627-N631 WeakPolarHBondContact O-CB 3.46Å; D627-N631 PolarHBondContact O-ND2 2.92Å
628	V	98.1	Very high	96.8	Very high	38 Å²	38	34 Å²	34	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-71.7	-51.8	177	174.6	0	0	0	0	111	Y586 S624 V625 A626 N630 N631 D632 F748 F749	Y586-V628 HydrophobicContact CE1-CG1 4.48Å; Y586-V628 HydrophobicContact CE2-CG1 4.48Å; S624-V628 PolarHBondContact O-N 3.34Å; V625-V628 PolarHBondContact O-N 2.99Å; A626-V628 VanDerWaalsContact C-N 3.3Å; A626-V628 PolarHBondContact O-N 3.46Å; V628-N630 PolarHBondContact O-N 3.48Å; V628-N631 PolarHBondContact O-N 3.04Å; V628-D632 PolarHBondContact O-N 3.37Å; V628-F748 HydrophobicContact CG1-CE1 3.96Å; V628-F748 HydrophobicContact CG1-CZ 4.45Å; V628-F749 HydrophobicContact CB-CD1 4Å; V628-F749 HydrophobicContact CB-CE1 4.12Å; V628-F749 HydrophobicContact CG1-CD1 4.42Å; V628-F749 HydrophobicContact CG1-CE1 4.17Å; V628-F749 HydrophobicContact CG2-CD1 3.78Å; V628-F749 HydrophobicContact CG2-CE1 4.35Å
629	V	97.8	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-46.1	-174.8	173.8	0	0	0	0	111.5	Y586 V625 A626 N631 D632 V635 L639 V641	Y586-V629 HydrophobicContact CD2-CB 4.45Å; Y586-V629 HydrophobicContact CD2-CG2 3.81Å; Y586-V629 HydrophobicContact CG-CG2 3.99Å; V625-V629 HydrophobicContact CG1-CG2 4.04Å; V625-V629 VanDerWaalsContact O-CG2 3.31Å; V625-V629 WeakPolarHBondContact O-CG2 3.49Å; V625-V629 PolarHBondContact O-N 2.97Å; A626-V629 PolarHBondContact O-N 3.13Å; V629-N631 VanDerWaalsContact C-N 3.26Å; V629-N631 PolarHBondContact O-N 3.23Å; V629-D632 PolarHBondContact O-N 2.91Å; V629-V635 HydrophobicContact CG1-CG1 4.33Å; V629-L639 HydrophobicContact CG1-CB 4.29Å; V629-L639 HydrophobicContact CG1-CD2 3.83Å; V629-L639 HydrophobicContact CG1-CG 3.83Å; V629-V641 HydrophobicContact CB-CG2 4.18Å; V629-V641 HydrophobicContact CG1-CG2 3.92Å; V629-V641 HydrophobicContact CG2-CG2 4.4Å
630	N	96.1	Very high	96.7	Very high	39 Å²	39	36 Å²	36	21%	0.209	21%	0.206	C	C	.	.	H	α-helix	trans	-71.3	-22.3	-173.2	-67.1	-24.2	0	0	0	113.4	A626 V628 K640 V641	A626-N630 WeakPolarHBondContact O-CB 3.25Å; A626-N630 PolarHBondContact O-N 3.14Å; A626-N630 PolarHBondContact O-ND2 2.88Å; V628-N630 PolarHBondContact O-N 3.48Å; N630-K640 HydrophobicContact CB-CD 4.43Å; N630-K640 PolarHBondContact O-NZ 3.1Å; N630-K640 WeakPolarHBondContact OD1-CA 3.47Å; N630-K640 WeakPolarHBondContact OD1-CD 3.29Å; N630-V641 PolarHBondContact ND2-O 2.93Å; N630-V641 PolarHBondContact OD1-N 2.86Å
631	N	95.8	Very high	96.7	Very high	126 Å²	126	35 Å²	35	67%	0.674	20%	0.202	S	C	*	.	H	α-helix	trans	-100.8	0.2	-179.5	-68.6	-59.2	0	0	0	113.5	D627 V628 V629 P633	D627-N631 WeakPolarHBondContact O-CB 3.46Å; D627-N631 PolarHBondContact O-ND2 2.92Å; V628-N631 PolarHBondContact O-N 3.04Å; V629-N631 VanDerWaalsContact C-N 3.26Å; V629-N631 PolarHBondContact O-N 3.23Å; N631-P633 WeakPolarHBondContact O-CD 3.26Å
632	D	97	Very high	96.6	Very high	16 Å²	16	35.6 Å²	35.6	9%	0.086	21%	0.205	C	C	.	.			trans	-81.6	114.7	176.5	-167.5	-40	0	0	0	111.3	Y586 R590 V628 V629 V634 V635 G636	Y586-D632 HydrophobicContact CE2-CB 4.08Å; Y586-D632 PolarHBondContact OH-OD2 3.4Å; Y586-D632 VanDerWaalsContact OH-OD2 3.1Å; R590-D632 VanDerWaalsContact CD-OD2 3.26Å; R590-D632 WeakPolarHBondContact CD-OD2 3.49Å; R590-D632 IonicContact CZ-OD2 2.74Å; R590-D632 IonicContact NE-OD2 3.94Å; R590-D632 VanDerWaalsContact NH1-CG 3.33Å; R590-D632 IonicContact NH1-OD1 3.63Å; R590-D632 PolarHBondContact NH1-OD1 3.49Å; R590-D632 VanDerWaalsContact NH1-OD1 3.11Å; R590-D632 IonicContact NH1-OD2 2.73Å; R590-D632 PolarHBondContact NH1-OD2 2.73Å; V628-D632 PolarHBondContact O-N 3.37Å; V629-D632 PolarHBondContact O-N 2.91Å; D632-V634 PolarHBondContact O-N 3.22Å; D632-V634 WeakPolarHBondContact OD1-CA 3.49Å; D632-V634 VanDerWaalsContact OD1-CB 3.28Å; D632-V634 WeakPolarHBondContact OD1-CB 3.27Å; D632-V634 PolarHBondContact OD1-N 2.92Å; D632-V635 HydrophobicContact CB-CB 4.19Å; D632-V635 HydrophobicContact CB-CG2 3.8Å; D632-V635 PolarHBondContact O-N 3.27Å; D632-G636 PolarHBondContact O-N 3.05Å
633	P	95.4	Very high	96.6	Very high	118 Å²	118	36.8 Å²	36.8	77%	0.766	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.1	-177.9	29.1	-35.7	0	0	0	113.6	N631	N631-P633 WeakPolarHBondContact O-CD 3.26Å
634	V	95.8	Very high	96.5	Very high	61 Å²	61	36.4 Å²	36.4	37%	0.37	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-32.7	176.3	179.3	0	0	0	0	110.7	P593 D632	P593-V634 HydrophobicContact CB-CG1 3.59Å; P593-V634 HydrophobicContact CG-CG1 4.35Å; D632-V634 PolarHBondContact O-N 3.22Å; D632-V634 WeakPolarHBondContact OD1-CA 3.49Å; D632-V634 VanDerWaalsContact OD1-CB 3.28Å; D632-V634 WeakPolarHBondContact OD1-CB 3.27Å; D632-V634 PolarHBondContact OD1-N 2.92Å
635	V	95.6	Very high	96.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-40.9	176.3	178.3	0	0	0	0	110.8	Y586 I589 V629 D632 D637 K638 L639	Y586-V635 HydrophobicContact CD2-CG2 3.63Å; Y586-V635 HydrophobicContact CE2-CG2 3.69Å; I589-V635 HydrophobicContact CD1-CG1 4.48Å; I589-V635 HydrophobicContact CG2-CG2 4.21Å; V629-V635 HydrophobicContact CG1-CG1 4.33Å; D632-V635 HydrophobicContact CB-CB 4.19Å; D632-V635 HydrophobicContact CB-CG2 3.8Å; D632-V635 PolarHBondContact O-N 3.27Å; V635-D637 PolarHBondContact O-N 2.63Å; V635-K638 WeakPolarHBondContact O-CB 3.3Å; V635-K638 WeakPolarHBondContact O-CG 3.37Å; V635-K638 PolarHBondContact O-N 2.97Å; V635-K638 VanDerWaalsContact O-N 3.16Å; V635-L639 HydrophobicContact CG1-CB 3.75Å
636	G	90.3	Very high	96.2	Very high	31 Å²	31	38 Å²	38	32%	0.32	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-121.3	176.4	0	0	0	0	0	112.7	D632 K640	D632-G636 PolarHBondContact O-N 3.05Å; G636-K640 VanDerWaalsContact O-CE 3.27Å; G636-K640 WeakPolarHBondContact O-CE 3.43Å; G636-K640 PolarHBondContact O-NZ 3.36Å; G636-K640 VanDerWaalsContact O-NZ 3.08Å
637	D	91.4	Very high	96.2	Very high	95 Å²	95	39.3 Å²	39.3	51%	0.508	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	5.8	178.8	67.1	-18.5	0	0	0	113.7	V635	V635-D637 PolarHBondContact O-N 2.63Å
638	K	95.8	Very high	96.2	Very high	48 Å²	48	37.4 Å²	37.4	21%	0.209	21%	0.205	C	C	.	.	S	Bend	trans	-70.6	-33.8	178.2	-61.3	-178	178.4	-168.1	0	112.5	I589 P593 V595 F597 P599 R600 V635	I589-K638 HydrophobicContact CD1-CB 4.2Å; I589-K638 HydrophobicContact CG2-CD 4.29Å; P593-K638 PolarHBondContact O-NZ 2.86Å; V595-K638 PolarHBondContact O-NZ 2.92Å; F597-K638 HydrophobicContact CD2-CD 4.23Å; P599-K638 CarbonylContact C-O 3.51Å; P599-K638 VanDerWaalsContact CA-O 3.26Å; P599-K638 WeakPolarHBondContact CA-O 3.28Å; R600-K638 PolarHBondContact N-O 3.33Å; V635-K638 WeakPolarHBondContact O-CB 3.3Å; V635-K638 WeakPolarHBondContact O-CG 3.37Å; V635-K638 PolarHBondContact O-N 2.97Å; V635-K638 VanDerWaalsContact O-N 3.16Å
639	L	97.8	Very high	96.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	127	177.6	-177.4	63.9	0	0	0	109.9	I582 L585 I589 R600 V602 V629 V635 V641	I582-L639 HydrophobicContact CG2-CD2 4.5Å; L585-L639 HydrophobicContact CB-CD2 3.97Å; L585-L639 HydrophobicContact CD1-CD1 4.32Å; I589-L639 HydrophobicContact CD1-CB 3.9Å; I589-L639 HydrophobicContact CD1-CD2 4.41Å; R600-L639 HydrophobicContact CB-CD1 4.06Å; R600-L639 WeakPolarHBondContact O-CA 3.42Å; V602-L639 HydrophobicContact CG2-CD1 3.98Å; V629-L639 HydrophobicContact CG1-CB 4.29Å; V629-L639 HydrophobicContact CG1-CD2 3.83Å; V629-L639 HydrophobicContact CG1-CG 3.83Å; V635-L639 HydrophobicContact CG1-CB 3.75Å; L639-V641 HydrophobicContact CG-CG2 4.4Å
640	K	97.4	Very high	96.1	Very high	41 Å²	41	35.9 Å²	35.9	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.9	168.3	-69	-62	-178.6	-161.7	0	109.7	R600 T601 V602 N630 G636	R600-K640 PolarHBondContact O-N 3.3Å; T601-K640 CarbonylContact C-O 3.51Å; T601-K640 WeakPolarHBondContact CA-O 2.97Å; T601-K640 HydrophobicContact CG2-CB 4.34Å; V602-K640 PolarHBondContact N-O 3.05Å; N630-K640 HydrophobicContact CB-CD 4.43Å; N630-K640 PolarHBondContact O-NZ 3.1Å; N630-K640 WeakPolarHBondContact OD1-CA 3.47Å; N630-K640 WeakPolarHBondContact OD1-CD 3.29Å; G636-K640 VanDerWaalsContact O-CE 3.27Å; G636-K640 WeakPolarHBondContact O-CE 3.43Å; G636-K640 PolarHBondContact O-NZ 3.36Å; G636-K640 VanDerWaalsContact O-NZ 3.08Å
641	V	98.3	Very high	96.1	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	118.8	-178.5	-176.3	0	0	0	0	108.8	I582 V602 A626 V629 N630 L639	I582-V641 HydrophobicContact CD1-CG1 4.02Å; I582-V641 HydrophobicContact CD1-CG2 4.49Å; I582-V641 HydrophobicContact CG2-CG1 4.41Å; I582-V641 HydrophobicContact CG2-CG2 3.39Å; V602-V641 CarbonylContact O-C 3.56Å; V602-V641 WeakPolarHBondContact O-CA 3.27Å; A626-V641 HydrophobicContact CB-CB 3.93Å; A626-V641 HydrophobicContact CB-CG1 3.89Å; A626-V641 VanDerWaalsContact CB-O 3.25Å; A626-V641 WeakPolarHBondContact CB-O 3.33Å; V629-V641 HydrophobicContact CB-CG2 4.18Å; V629-V641 HydrophobicContact CG1-CG2 3.92Å; V629-V641 HydrophobicContact CG2-CG2 4.4Å; N630-V641 PolarHBondContact ND2-O 2.93Å; N630-V641 PolarHBondContact OD1-N 2.86Å; L639-V641 HydrophobicContact CG-CG2 4.4Å
642	I	97	Very high	96.2	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.067	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.6	-174.8	-54.4	-55	0	0	0	109.3	V554 I556 T601 V602 I603 I604	V554-I642 HydrophobicContact CG1-CD1 3.28Å; V554-I642 HydrophobicContact CG1-CG1 4.17Å; I556-I642 HydrophobicContact CG2-CD1 4.33Å; I556-I642 HydrophobicContact CG2-CG1 4.19Å; T601-I642 HydrophobicContact CG2-CG1 4.3Å; V602-I642 PolarHBondContact O-N 2.94Å; I603-I642 WeakPolarHBondContact CA-O 3.28Å; I603-I642 HydrophobicContact CG1-CB 4.43Å; I604-I642 PolarHBondContact N-O 3.43Å
643	F	97.9	Very high	96.3	Very high	26 Å²	26	28.3 Å²	28.3	11%	0.114	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.9	163.7	-168.8	-87.2	0	0	0	109.6	I171 I604 G606 I619 I622 T623 E645	I171-F643 HydrophobicContact CD1-CD1 3.91Å; I171-F643 HydrophobicContact CD1-CE1 3.65Å; I171-F643 HydrophobicContact CG1-CD1 3.87Å; I171-F643 HydrophobicContact CG1-CE1 4.05Å; I604-F643 CarbonylContact O-C 3.6Å; I604-F643 VanDerWaalsContact O-CA 3.25Å; I604-F643 WeakPolarHBondContact O-CA 3.14Å; G606-F643 WeakPolarHBondContact O-CZ 3.44Å; I619-F643 HydrophobicContact CB-CE2 4.28Å; I619-F643 HydrophobicContact CB-CZ 4.35Å; I619-F643 HydrophobicContact CD1-CZ 4.11Å; I619-F643 HydrophobicContact CG1-CE2 3.92Å; I619-F643 HydrophobicContact CG1-CZ 3.85Å; I619-F643 HydrophobicContact CG2-CD2 4.43Å; I619-F643 HydrophobicContact CG2-CE1 4.19Å; I619-F643 HydrophobicContact CG2-CE2 3.9Å; I619-F643 HydrophobicContact CG2-CZ 3.75Å; I622-F643 HydrophobicContact CB-CD2 4.39Å; I622-F643 HydrophobicContact CG2-CB 4.49Å; I622-F643 HydrophobicContact CG2-CD2 3.94Å; T623-F643 HydrophobicContact CG2-CB 3.85Å; T623-F643 HydrophobicContact CG2-CG 4.09Å; F643-E645 PolarHBondContact O-N 2.97Å
644	L	96.8	Very high	96.4	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	97	-177.1	-169	66.2	0	0	0	110.4	F544 L548 V566 I603 I604 L651 V655	F544-L644 HydrophobicContact CZ-CD1 4.13Å; F544-L644 HydrophobicContact CZ-CD2 4.36Å; L548-L644 HydrophobicContact CD2-CD1 3.82Å; V566-L644 HydrophobicContact CG1-CD2 4.15Å; I603-L644 HydrophobicContact CG2-CB 3.96Å; I603-L644 HydrophobicContact CG2-CD2 4.2Å; I604-L644 PolarHBondContact O-N 3.04Å; L644-L651 HydrophobicContact CD1-CD1 4.34Å; L644-L651 HydrophobicContact CD1-CD2 3.98Å; L644-L651 HydrophobicContact CD1-CG 4.46Å; L644-L651 HydrophobicContact CD2-CD1 4.42Å; L644-L651 HydrophobicContact CD2-CD2 3.75Å; L644-L651 HydrophobicContact CD2-CG 3.88Å; L644-L651 HydrophobicContact CG-CD2 3.55Å; L644-L651 HydrophobicContact CG-CG 4.19Å; L644-V655 HydrophobicContact CD2-CB 4.32Å; L644-V655 HydrophobicContact CD2-CG1 4.44Å; L644-V655 HydrophobicContact CD2-CG2 4.34Å
645	E	96.5	Very high	96.6	Very high	31 Å²	31	21.3 Å²	21.3	15%	0.145	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	137.6	-178.2	174.1	-178	116.2	0	0	112.6	Q169 K170 I171 Y552 F643	Q169-E645 WeakPolarHBondContact O-CG 3.22Å; K170-E645 WeakPolarHBondContact CD-OE1 3.12Å; K170-E645 IonicContact NZ-OE1 3.41Å; K170-E645 PolarHBondContact NZ-OE1 3.44Å; I171-E645 HydrophobicContact CG1-CB 4.15Å; I171-E645 HydrophobicContact CG1-CG 4.24Å; I171-E645 PolarHBondContact N-OE2 3.47Å; Y552-E645 HydrophobicContact CE1-CB 3.96Å; Y552-E645 PolarHBondContact OH-O 3.25Å; F643-E645 PolarHBondContact O-N 2.97Å
646	N	95.9	Very high	96.7	Very high	11 Å²	11	21.3 Å²	21.3	6%	0.059	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	45.9	172.6	-158.8	29.9	0	0	0	114.3	N168 Q169 K607 R648	N168-N646 PolarHBondContact OD1-ND2 3.14Å; Q169-N646 HydrophobicContact CB-CB 4.19Å; Q169-N646 PolarHBondContact N-OD1 3.43Å; Q169-N646 VanDerWaalsContact N-OD1 3.1Å; Q169-N646 WeakPolarHBondContact O-CB 3.46Å; K607-N646 WeakPolarHBondContact CE-OD1 2.9Å; K607-N646 PolarHBondContact NZ-OD1 3.17Å; N646-R648 PolarHBondContact ND2-NH1 2.61Å; N646-R648 WeakPolarHBondContact O-CG 2.95Å; N646-R648 PolarHBondContact O-N 3.33Å; N646-R648 PolarHBondContact O-NH1 3.47Å
647	Y	96.9	Very high	97.1	Very high	36 Å²	36	20 Å²	20	14%	0.141	9%	0.093	C	C	.	.			trans	-52.5	123.1	173.5	-177.9	-114.9	0	0	0	111.9	V566 K607 A652 V655	V566-Y647 HydrophobicContact CB-CD1 4.41Å; V566-Y647 HydrophobicContact CB-CD2 3.94Å; V566-Y647 HydrophobicContact CB-CE1 4.13Å; V566-Y647 HydrophobicContact CB-CE2 3.64Å; V566-Y647 HydrophobicContact CB-CG 4.32Å; V566-Y647 HydrophobicContact CG1-CD2 4.26Å; V566-Y647 HydrophobicContact CG1-CE2 4.29Å; V566-Y647 HydrophobicContact CG2-CD2 4.47Å; V566-Y647 HydrophobicContact CG2-CE1 4.5Å; V566-Y647 HydrophobicContact CG2-CE2 3.71Å; K607-Y647 WeakPolarHBondContact CE-O 3.27Å; Y647-A652 HydrophobicContact CE2-CB 3.67Å; Y647-V655 HydrophobicContact CE2-CG1 4.41Å
648	R	95.8	Very high	97.5	Very high	51 Å²	51	15.5 Å²	15.5	19%	0.192	7%	0.069	C	C	.	.			trans	-155.1	179.5	-174	64.9	-170.2	178.2	-83	3.2	110.3	Y91 N646 S650 L651 A652	Y91-R648 VanDerWaalsContact OH-CA 3.3Å; Y91-R648 WeakPolarHBondContact OH-CA 3.43Å; Y91-R648 WeakPolarHBondContact OH-CB 3.45Å; N646-R648 PolarHBondContact ND2-NH1 2.61Å; N646-R648 WeakPolarHBondContact O-CG 2.95Å; N646-R648 PolarHBondContact O-N 3.33Å; N646-R648 PolarHBondContact O-NH1 3.47Å; R648-S650 PolarHBondContact NE-OG 3.14Å; R648-S650 PolarHBondContact O-N 2.97Å; R648-L651 HydrophobicContact CG-CB 4.21Å; R648-L651 PolarHBondContact O-N 3.16Å; R648-A652 WeakPolarHBondContact O-CB 3.28Å; R648-A652 PolarHBondContact O-N 2.91Å
649	V	97.5	Very high	97.6	Very high	5 Å²	5	13.2 Å²	13.2	3%	0.03	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-49	-174.2	179.4	0	0	0	0	111.6	Y91 D129 W490 L651 A652 E653	Y91-V649 HydrophobicContact CD1-CG2 3.68Å; Y91-V649 HydrophobicContact CD2-CG2 4.09Å; Y91-V649 HydrophobicContact CE1-CG2 3.87Å; Y91-V649 HydrophobicContact CE2-CG2 4.26Å; Y91-V649 HydrophobicContact CG-CG2 3.82Å; D129-V649 PolarHBondContact OD2-N 3.07Å; W490-V649 HydrophobicContact CH2-CG1 4.1Å; W490-V649 HydrophobicContact CZ2-CG1 4.39Å; V649-L651 VanDerWaalsContact C-N 3.25Å; V649-L651 PolarHBondContact O-N 3.08Å; V649-A652 WeakPolarHBondContact O-CB 3.14Å; V649-A652 PolarHBondContact O-N 3.33Å; V649-A652 VanDerWaalsContact O-N 3.09Å; V649-E653 WeakPolarHBondContact O-CG 3.11Å; V649-E653 PolarHBondContact O-N 3.26Å
650	S	96.6	Very high	97.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.6	-32.5	177.5	52.1	0	0	0	0	113.7	D129 R648	D129-S650 VanDerWaalsContact CG-OG 3.31Å; D129-S650 WeakPolarHBondContact OD1-CB 3.43Å; D129-S650 PolarHBondContact OD1-OG 3.07Å; D129-S650 PolarHBondContact OD2-N 3.32Å; D129-S650 PolarHBondContact OD2-OG 3.24Å; R648-S650 PolarHBondContact NE-OG 3.14Å; R648-S650 PolarHBondContact O-N 2.97Å
651	L	96.9	Very high	97.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-77.7	-33.4	176	-167.4	56.1	0	0	0	112.2	L644 R648 V649 E653 K654 V655	L644-L651 HydrophobicContact CD1-CD1 4.34Å; L644-L651 HydrophobicContact CD1-CD2 3.98Å; L644-L651 HydrophobicContact CD1-CG 4.46Å; L644-L651 HydrophobicContact CD2-CD1 4.42Å; L644-L651 HydrophobicContact CD2-CD2 3.75Å; L644-L651 HydrophobicContact CD2-CG 3.88Å; L644-L651 HydrophobicContact CG-CD2 3.55Å; L644-L651 HydrophobicContact CG-CG 4.19Å; R648-L651 HydrophobicContact CG-CB 4.21Å; R648-L651 PolarHBondContact O-N 3.16Å; V649-L651 VanDerWaalsContact C-N 3.25Å; V649-L651 PolarHBondContact O-N 3.08Å; L651-E653 VanDerWaalsContact C-N 3.33Å; L651-K654 HydrophobicContact CD1-CD 4.42Å; L651-K654 PolarHBondContact O-N 3.4Å; L651-K654 VanDerWaalsContact O-N 3.17Å; L651-V655 WeakPolarHBondContact O-CG1 3.5Å; L651-V655 PolarHBondContact O-N 2.94Å
652	A	98.4	Very high	97.8	Very high	2 Å²	2	11.3 Å²	11.3	2%	0.017	5%	0.051	C	C	.	.	H	α-helix	trans	-61.5	-42	172	0	0	0	0	0	111.4	W490 Y647 R648 V649 K654 V655 I656	W490-A652 HydrophobicContact CH2-CB 3.94Å; W490-A652 HydrophobicContact CZ3-CB 3.94Å; Y647-A652 HydrophobicContact CE2-CB 3.67Å; R648-A652 WeakPolarHBondContact O-CB 3.28Å; R648-A652 PolarHBondContact O-N 2.91Å; V649-A652 WeakPolarHBondContact O-CB 3.14Å; V649-A652 PolarHBondContact O-N 3.33Å; V649-A652 VanDerWaalsContact O-N 3.09Å; A652-K654 PolarHBondContact O-N 2.98Å; A652-V655 PolarHBondContact O-N 2.88Å; A652-I656 HydrophobicContact CB-CD1 3.93Å; A652-I656 VanDerWaalsContact O-CB 3.3Å; A652-I656 WeakPolarHBondContact O-CB 3.32Å; A652-I656 WeakPolarHBondContact O-CD1 3.42Å; A652-I656 WeakPolarHBondContact O-CG1 3.47Å; A652-I656 PolarHBondContact O-N 2.94Å
653	E	98.4	Very high	97.9	Very high	19 Å²	19	10.7 Å²	10.7	9%	0.089	5%	0.047	C	C	.	.	H	α-helix	trans	-60	-22.4	175.3	-70.6	166	175.6	0	0	112.9	R489 W490 L493 C494 V649 L651 P657	R489-E653 VanDerWaalsContact CD-OE1 3.24Å; R489-E653 WeakPolarHBondContact CD-OE1 3.47Å; R489-E653 WeakPolarHBondContact CG-OE1 3.46Å; R489-E653 IonicContact CZ-OE1 3.99Å; R489-E653 IonicContact NE-OE1 3.01Å; R489-E653 IonicContact NH1-OE1 2.94Å; R489-E653 PolarHBondContact NH1-OE1 3.4Å; W490-E653 HydrophobicContact CH2-CG 4.45Å; W490-E653 HydrophobicContact CZ3-CG 4.03Å; L493-E653 HydrophobicContact CD2-CG 4.39Å; C494-E653 HydrophobicContact CB-CB 4.01Å; C494-E653 HydrophobicContact CB-CG 4.24Å; C494-E653 WeakPolarHBondContact CB-O 3.5Å; V649-E653 WeakPolarHBondContact O-CG 3.11Å; V649-E653 PolarHBondContact O-N 3.26Å; L651-E653 VanDerWaalsContact C-N 3.33Å; E653-P657 VanDerWaalsContact O-CD 3.29Å; E653-P657 WeakPolarHBondContact O-CD 3.48Å; E653-P657 WeakPolarHBondContact O-CG 3.36Å
654	K	98.1	Very high	97.9	Very high	32 Å²	32	10 Å²	10	14%	0.139	4%	0.044	C	C	.	.	H	α-helix	trans	-92.5	-45.5	177.7	-68.1	166.2	175.8	173.1	0	113.1	E125 F544 I547 E551 L651 A652	E125-K654 WeakPolarHBondContact OE1-CE 3.36Å; E125-K654 IonicContact OE1-NZ 3.24Å; E125-K654 PolarHBondContact OE1-NZ 2.8Å; E125-K654 IonicContact OE2-NZ 3.07Å; E125-K654 PolarHBondContact OE2-NZ 2.98Å; F544-K654 HydrophobicContact CD2-CB 4.11Å; F544-K654 HydrophobicContact CE2-CB 4.27Å; I547-K654 HydrophobicContact CD1-CB 4.49Å; I547-K654 HydrophobicContact CD1-CD 4.04Å; I547-K654 HydrophobicContact CD1-CG 4.18Å; E551-K654 IonicContact OE1-NZ 3.97Å; L651-K654 HydrophobicContact CD1-CD 4.42Å; L651-K654 PolarHBondContact O-N 3.4Å; L651-K654 VanDerWaalsContact O-N 3.17Å; A652-K654 PolarHBondContact O-N 2.98Å
655	V	98.6	Very high	98	Very high	1 Å²	1	10 Å²	10	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-77.4	-37.7	-174.4	70.2	0	0	0	0	112.5	F544 V564 V566 L644 Y647 L651 A652 A658 T659	F544-V655 HydrophobicContact CE1-CB 4.44Å; F544-V655 HydrophobicContact CE1-CG2 3.92Å; F544-V655 HydrophobicContact CE2-CB 3.83Å; F544-V655 HydrophobicContact CE2-CG2 4.2Å; F544-V655 HydrophobicContact CZ-CB 3.79Å; F544-V655 HydrophobicContact CZ-CG2 3.66Å; V564-V655 HydrophobicContact CG1-CG2 3.84Å; V564-V655 HydrophobicContact CG2-CG2 4.28Å; V566-V655 HydrophobicContact CG2-CG1 4.21Å; L644-V655 HydrophobicContact CD2-CB 4.32Å; L644-V655 HydrophobicContact CD2-CG1 4.44Å; L644-V655 HydrophobicContact CD2-CG2 4.34Å; Y647-V655 HydrophobicContact CE2-CG1 4.41Å; L651-V655 WeakPolarHBondContact O-CG1 3.5Å; L651-V655 PolarHBondContact O-N 2.94Å; A652-V655 PolarHBondContact O-N 2.88Å; V655-A658 PolarHBondContact O-N 2.97Å; V655-A658 VanDerWaalsContact O-N 3.1Å; V655-T659 PolarHBondContact O-N 3.34Å; V655-T659 PolarHBondContact O-OG1 3.31Å
656	I	98.8	Very high	98.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-60.5	-47.9	-175	-67.6	167	0	0	0	112.5	W490 A652 A658 T659 K679 F680 N683	W490-I656 HydrophobicContact CE3-CD1 4.09Å; W490-I656 HydrophobicContact CZ3-CD1 3.78Å; A652-I656 HydrophobicContact CB-CD1 3.93Å; A652-I656 VanDerWaalsContact O-CB 3.3Å; A652-I656 WeakPolarHBondContact O-CB 3.32Å; A652-I656 WeakPolarHBondContact O-CD1 3.42Å; A652-I656 WeakPolarHBondContact O-CG1 3.47Å; A652-I656 PolarHBondContact O-N 2.94Å; I656-A658 PolarHBondContact O-N 3.03Å; I656-T659 PolarHBondContact O-N 3.33Å; I656-K679 HydrophobicContact CD1-CB 3.86Å; I656-K679 HydrophobicContact CD1-CD 3.74Å; I656-K679 HydrophobicContact CD1-CG 4.42Å; I656-K679 HydrophobicContact CG2-CB 4.08Å; I656-K679 WeakPolarHBondContact CG2-O 3.26Å; I656-F680 HydrophobicContact CB-CD1 4.35Å; I656-F680 HydrophobicContact CB-CE1 4.09Å; I656-F680 HydrophobicContact CG1-CD1 4.22Å; I656-F680 HydrophobicContact CG1-CE1 3.68Å; I656-F680 HydrophobicContact CG1-CE2 4.39Å; I656-F680 HydrophobicContact CG1-CZ 3.78Å; I656-F680 HydrophobicContact CG2-CD1 4Å; I656-F680 HydrophobicContact CG2-CE1 4.25Å; I656-N683 HydrophobicContact CG2-CB 3.89Å
657	P	98.8	Very high	98.1	Very high	4 Å²	4	8.3 Å²	8.3	3%	0.026	4%	0.037	C	C	.	.	H	α-helix	trans	-61.2	-26.2	177	-24.5	35.6	0	0	0	114	C494 N495 K537 N540 E653	C494-P657 HydrophobicContact CB-CG 4.11Å; C494-P657 VanDerWaalsContact O-CG 3.31Å; C494-P657 WeakPolarHBondContact O-CG 3.24Å; N495-P657 HydrophobicContact CB-CB 4.09Å; N495-P657 HydrophobicContact CB-CG 4.13Å; K537-P657 PolarHBondContact NZ-O 3.44Å; N540-P657 HydrophobicContact CB-CB 4.25Å; N540-P657 WeakPolarHBondContact CB-O 3.3Å; N540-P657 PolarHBondContact ND2-O 3.32Å; E653-P657 VanDerWaalsContact O-CD 3.29Å; E653-P657 WeakPolarHBondContact O-CD 3.48Å; E653-P657 WeakPolarHBondContact O-CG 3.36Å
658	A	98.8	Very high	98.1	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-89.2	-10.8	-177.7	0	0	0	0	0	114.1	N540 K541 F544 F562 V655 I656	N540-A658 HydrophobicContact CB-CB 4.48Å; K541-A658 HydrophobicContact CG-CB 4.35Å; K541-A658 WeakPolarHBondContact CG-O 3.38Å; F544-A658 HydrophobicContact CB-CB 3.61Å; F544-A658 HydrophobicContact CD1-CB 4.31Å; F544-A658 HydrophobicContact CG-CB 4.03Å; F562-A658 HydrophobicContact CD2-CB 4.22Å; F562-A658 WeakPolarHBondContact CD2-O 3.17Å; F562-A658 HydrophobicContact CE2-CB 4.43Å; V655-A658 PolarHBondContact O-N 2.97Å; V655-A658 VanDerWaalsContact O-N 3.1Å; I656-A658 PolarHBondContact O-N 3.03Å
659	T	98.9	Very high	97.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.03	C	C	.	.			trans	-75.8	137.5	-175.3	-66	0	0	0	0	112.5	K537 V564 V655 I656 L661 F680 A685	K537-T659 WeakPolarHBondContact CE-O 3.44Å; K537-T659 PolarHBondContact NZ-O 3.08Å; V564-T659 HydrophobicContact CB-CG2 3.73Å; V564-T659 WeakPolarHBondContact CB-OG1 3.26Å; V564-T659 HydrophobicContact CG2-CG2 3.74Å; V564-T659 WeakPolarHBondContact CG2-OG1 3.46Å; V655-T659 PolarHBondContact O-N 3.34Å; V655-T659 PolarHBondContact O-OG1 3.31Å; I656-T659 PolarHBondContact O-N 3.33Å; T659-L661 VanDerWaalsContact CG2-C 3.48Å; T659-L661 WeakPolarHBondContact CG2-O 3.31Å; T659-F680 HydrophobicContact CG2-CD1 3.73Å; T659-F680 HydrophobicContact CG2-CE1 3.7Å; T659-F680 VanDerWaalsContact OG1-CE1 3.27Å; T659-F680 WeakPolarHBondContact OG1-CE1 3.46Å; T659-A685 HydrophobicContact CG2-CB 3.79Å; T659-A685 WeakPolarHBondContact O-CB 3.46Å
660	D	98.9	Very high	97.5	Very high	5 Å²	5	5.7 Å²	5.7	3%	0.027	3%	0.034	C	C	.	.	S	Bend	trans	-94.1	-48.2	170	-65.9	-48.1	0	0	0	110.6	K537 K541 M561 F562 A685 L686 Y790 W796	K537-D660 WeakPolarHBondContact CG-OD1 3.48Å; K541-D660 WeakPolarHBondContact CE-OD2 3.4Å; K541-D660 IonicContact NZ-OD1 3.32Å; K541-D660 IonicContact NZ-OD2 2.77Å; K541-D660 PolarHBondContact NZ-OD2 2.75Å; M561-D660 WeakPolarHBondContact CA-OD2 3.41Å; M561-D660 HydrophobicContact CG-CB 3.99Å; F562-D660 PolarHBondContact N-OD2 2.86Å; F562-D660 PolarHBondContact O-N 3.46Å; D660-A685 CarbonylContact O-C 3.57Å; D660-A685 WeakPolarHBondContact O-CA 3.34Å; D660-L686 PolarHBondContact O-N 2.82Å; D660-Y790 HydrophobicContact CB-CE2 4.09Å; D660-Y790 PolarHBondContact OD2-OH 3.41Å; D660-Y790 VanDerWaalsContact OD2-OH 3.06Å; D660-W796 HydrophobicContact CB-CZ2 4.08Å; D660-W796 WeakPolarHBondContact O-CZ2 3.41Å
661	L	98.9	Very high	97.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.7	-178.9	-173.3	74.3	0	0	0	110.8	M561 F562 V564 T659 L686 I688 F708 V786	M561-L661 HydrophobicContact SD-CB 4.17Å; M561-L661 HydrophobicContact SD-CD2 4.44Å; F562-L661 PolarHBondContact O-N 2.64Å; V564-L661 PolarHBondContact N-O 3.11Å; T659-L661 VanDerWaalsContact CG2-C 3.48Å; T659-L661 WeakPolarHBondContact CG2-O 3.31Å; L661-L686 CarbonylContact C-O 3.51Å; L661-L686 WeakPolarHBondContact CA-O 3.48Å; L661-I688 HydrophobicContact CD1-CB 4.11Å; L661-I688 HydrophobicContact CD1-CG2 3.95Å; L661-I688 HydrophobicContact CD2-CG2 3.85Å; L661-I688 HydrophobicContact CG-CG2 3.85Å; L661-F708 HydrophobicContact CD1-CD2 4.34Å; L661-V786 HydrophobicContact CD1-CG1 3.85Å; L661-V786 HydrophobicContact CD1-CG2 4.11Å; L661-V786 HydrophobicContact CD2-CG1 3.85Å; L661-V786 HydrophobicContact CG-CG1 4.38Å
662	S	98.9	Very high	96.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.6	179.5	148.8	0	0	0	0	111.2	Q664 F680 L686 I688	S662-Q664 PolarHBondContact OG-NE2 3.4Å; S662-F680 VanDerWaalsContact CB-CG 3.43Å; S662-F680 VanDerWaalsContact OG-CD2 3.3Å; S662-F680 WeakPolarHBondContact OG-CD2 3.46Å; S662-L686 PolarHBondContact N-O 3.47Å; S662-I688 PolarHBondContact O-N 2.93Å; S662-I688 VanDerWaalsContact O-N 3.11Å
663	E	98.9	Very high	96.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	109.1	-178.2	-68.7	-70.1	165.2	0	0	112.3	D563 V564 H565 K567 I665 I688 Y779 Q783	D563-E663 WeakPolarHBondContact OD1-CG 3.28Å; V564-E663 PolarHBondContact O-N 3.14Å; H565-E663 HydrophobicContact CB-CB 3.61Å; H565-E663 HydrophobicContact CB-CG 3.99Å; K567-E663 PolarHBondContact NZ-O 3.23Å; E663-I665 WeakPolarHBondContact OE2-CG2 3.42Å; E663-I688 VanDerWaalsContact CD-CG2 3.41Å; E663-I688 HydrophobicContact CG-CG2 4.37Å; E663-I688 WeakPolarHBondContact OE1-CG2 3.08Å; E663-I688 WeakPolarHBondContact OE2-CG2 3.27Å; E663-Y779 VanDerWaalsContact CD-OH 3.3Å; E663-Y779 PolarHBondContact OE1-OH 3.09Å; E663-Y779 PolarHBondContact OE2-OH 3.36Å; E663-Y779 VanDerWaalsContact OE2-OH 3.1Å; E663-Q783 PolarHBondContact OE1-NE2 3.18Å
664	Q	98.6	Very high	96.1	Very high	11 Å²	11	7.7 Å²	7.7	5%	0.051	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	57.5	-178.9	-52.6	-58.7	-19.1	0	0	111.4	S662 N677 T687 I688 G689 T690 N695	S662-Q664 PolarHBondContact OG-NE2 3.4Å; Q664-N677 HydrophobicContact CG-CB 3.69Å; Q664-T687 HydrophobicContact CB-CG2 4Å; Q664-T687 HydrophobicContact CG-CG2 3.74Å; Q664-I688 PolarHBondContact N-O 2.51Å; Q664-G689 WeakPolarHBondContact O-CA 3.21Å; Q664-T690 PolarHBondContact O-N 2.6Å; Q664-N695 WeakPolarHBondContact CB-ND2 3.4Å; Q664-N695 PolarHBondContact O-ND2 3.41Å
665	I	98.6	Very high	96	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.046	C	C	.	.			trans	-103.6	34.1	-162.4	63.1	173.1	0	0	0	114.3	R574 L577 N578 E663 F710 Y779	R574-I665 HydrophobicContact CB-CG1 4.45Å; R574-I665 PolarHBondContact NE-O 3.4Å; R574-I665 PolarHBondContact NH2-O 3.45Å; R574-I665 WeakPolarHBondContact O-CD1 3.5Å; L577-I665 HydrophobicContact CB-CD1 4.21Å; L577-I665 HydrophobicContact CD2-CD1 4.34Å; L577-I665 HydrophobicContact CG-CD1 4.36Å; N578-I665 HydrophobicContact CB-CD1 3.97Å; E663-I665 WeakPolarHBondContact OE2-CG2 3.42Å; I665-F710 HydrophobicContact CB-CE1 4.37Å; I665-F710 HydrophobicContact CB-CZ 3.94Å; I665-F710 HydrophobicContact CG2-CE1 3.62Å; I665-F710 HydrophobicContact CG2-CZ 3.62Å; I665-Y779 HydrophobicContact CG2-CE2 4.04Å
666	S	97.9	Very high	95.9	Very high	4 Å²	4	7.7 Å²	7.7	3%	0.028	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-63	157	175.2	42.8	0	0	0	0	111.7	Y572 R574 A668 E671 T690 D692	Y572-S666 VanDerWaalsContact O-CA 3.24Å; Y572-S666 WeakPolarHBondContact O-CA 3.46Å; Y572-S666 WeakPolarHBondContact O-CB 3.3Å; R574-S666 PolarHBondContact NH2-O 3Å; R574-S666 VanDerWaalsContact NH2-O 3.1Å; S666-A668 PolarHBondContact O-N 2.92Å; S666-E671 WeakPolarHBondContact OG-CB 3.19Å; S666-T690 WeakPolarHBondContact O-CB 3.29Å; S666-T690 VanDerWaalsContact O-CG2 3.28Å; S666-T690 WeakPolarHBondContact O-CG2 3.45Å; S666-T690 PolarHBondContact O-OG1 3.05Å; S666-D692 VanDerWaalsContact CB-OD2 3.28Å; S666-D692 WeakPolarHBondContact CB-OD2 3.47Å; S666-D692 PolarHBondContact OG-OD2 3.17Å
667	T	97.4	Very high	95.9	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.018	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-64.5	133.5	171.5	-51.5	0	0	0	0	108.8	Y572 R574 G669 T670 D692 V717 F770	Y572-T667 PolarHBondContact O-N 2.95Å; R574-T667 WeakPolarHBondContact CD-OG1 3.5Å; T667-G669 PolarHBondContact O-N 2.88Å; T667-T670 WeakPolarHBondContact O-CB 3.45Å; T667-T670 WeakPolarHBondContact O-CG2 3.23Å; T667-T670 PolarHBondContact O-N 3.48Å; T667-T670 VanDerWaalsContact O-N 3.13Å; T667-T670 PolarHBondContact O-OG1 3.12Å; T667-D692 VanDerWaalsContact O-OD2 3.05Å; T667-V717 HydrophobicContact CG2-CG2 4.12Å; T667-F770 WeakPolarHBondContact OG1-CB 3.25Å; T667-F770 PolarHBondContact OG1-O 3.02Å
668	A	95.4	Very high	95.9	Very high	4 Å²	4	7.7 Å²	7.7	3%	0.033	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	131.5	-177.7	0	0	0	0	0	112	S666 M712 V714 V717	S666-A668 PolarHBondContact O-N 2.92Å; A668-M712 VanDerWaalsContact CB-O 3.24Å; A668-M712 WeakPolarHBondContact CB-O 3.38Å; A668-V714 HydrophobicContact CB-CG2 4.14Å; A668-V717 HydrophobicContact CB-CG2 4.41Å
669	G	90.1	Very high	95.9	Very high	15 Å²	15	8.2 Å²	8.2	16%	0.155	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	27.6	-175.6	0	0	0	0	0	113.4	I378 T667 D692	I378-G669 WeakPolarHBondContact CD1-O 3.02Å; T667-G669 PolarHBondContact O-N 2.88Å; G669-D692 WeakPolarHBondContact CA-OD1 3.32Å; G669-D692 PolarHBondContact N-OD1 2.94Å
670	T	91	Very high	95.9	Very high	18 Å²	18	8.3 Å²	8.3	11%	0.11	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-35.3	175.9	64.2	0	0	0	0	113.5	Y572 T667 D692 F770	Y572-T670 WeakPolarHBondContact CD2-OG1 3.48Å; T667-T670 WeakPolarHBondContact O-CB 3.45Å; T667-T670 WeakPolarHBondContact O-CG2 3.23Å; T667-T670 PolarHBondContact O-N 3.48Å; T667-T670 VanDerWaalsContact O-N 3.13Å; T667-T670 PolarHBondContact O-OG1 3.12Å; T670-D692 PolarHBondContact N-OD1 2.81Å; T670-F770 HydrophobicContact CG2-CD1 4.3Å; T670-F770 HydrophobicContact CG2-CE1 4.33Å
671	E	91.1	Very high	95.8	Very high	37 Å²	37	8 Å²	8	17%	0.173	6%	0.056	C	C	.	.			trans	-84.8	115.2	171.8	-168.1	85.5	-140.4	0	0	109.6	Y572 K573 S666 S673 D692 G693	Y572-E671 WeakPolarHBondContact CE2-OE2 3.06Å; K573-E671 IonicContact NZ-OE1 2.75Å; K573-E671 PolarHBondContact NZ-OE1 3.19Å; K573-E671 IonicContact NZ-OE2 2.71Å; K573-E671 PolarHBondContact NZ-OE2 3.23Å; S666-E671 WeakPolarHBondContact OG-CB 3.19Å; E671-S673 PolarHBondContact O-N 3.05Å; E671-S673 VanDerWaalsContact O-N 3.16Å; E671-D692 WeakPolarHBondContact CB-OD2 3.27Å; E671-D692 PolarHBondContact N-OD2 2.69Å; E671-G693 WeakPolarHBondContact O-CA 2.85Å; E671-G693 PolarHBondContact O-N 2.94Å
672	A	89.6	Confident	95.8	Very high	11 Å²	11	8.1 Å²	8.1	9%	0.091	6%	0.056	C	C	.	.	S	Bend	trans	-59.3	-29.9	178.7	0	0	0	0	0	113.6	H376 V454 A455 H458	H376-A672 VanDerWaalsContact O-CB 3.27Å; H376-A672 WeakPolarHBondContact O-CB 3.25Å; V454-A672 HydrophobicContact CG2-CB 3.73Å; A455-A672 VanDerWaalsContact CB-O 3.23Å; A455-A672 WeakPolarHBondContact CB-O 3.42Å; H458-A672 HydrophobicContact CB-CB 4.49Å; H458-A672 WeakPolarHBondContact CB-O 3.44Å; H458-A672 WeakPolarHBondContact CD2-CB 3.34Å; H458-A672 WeakPolarHBondContact NE2-CB 3.19Å
673	S	91.9	Very high	95.8	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.021	6%	0.056	C	C	.	.			trans	-162	-67	-179	171.7	0	0	0	0	110.8	V454 N483 E671 N677 A694	V454-S673 WeakPolarHBondContact O-CB 3.32Å; V454-S673 PolarHBondContact O-OG 2.89Å; N483-S673 WeakPolarHBondContact ND2-CB 3.38Å; N483-S673 PolarHBondContact ND2-OG 2.69Å; N483-S673 VanDerWaalsContact ND2-OG 3.1Å; E671-S673 PolarHBondContact O-N 3.05Å; E671-S673 VanDerWaalsContact O-N 3.16Å; S673-N677 PolarHBondContact O-ND2 3.36Å; S673-A694 VanDerWaalsContact O-CB 3.29Å; S673-A694 WeakPolarHBondContact O-CB 3.21Å; S673-A694 PolarHBondContact O-N 2.88Å
674	G	89.3	Confident	95.8	Very high	14 Å²	14	8.3 Å²	8.3	14%	0.144	6%	0.058	C	C	.	.			trans	81.9	131.9	-167.4	0	0	0	0	0	111.4	N677	G674-N677 PolarHBondContact O-OD1 3.47Å
675	T	95.1	Very high	95.8	Very high	15 Å²	15	7.8 Å²	7.8	9%	0.092	6%	0.055	C	C	.	.	S	Bend	trans	-118.8	-6.8	174.5	54.9	0	0	0	0	112.6	L140 N483 N677 M678 K679	L140-T675 HydrophobicContact CD1-CG2 4.36Å; N483-T675 HydrophobicContact CB-CG2 3.95Å; T675-N677 WeakPolarHBondContact CA-OD1 2.97Å; T675-N677 PolarHBondContact N-OD1 3.38Å; T675-M678 HydrophobicContact CG2-SD 4.39Å; T675-K679 WeakPolarHBondContact O-CE 3.25Å; T675-K679 VanDerWaalsContact O-CG 3.31Å; T675-K679 WeakPolarHBondContact O-CG 3.4Å
676	G	97	Very high	95.8	Very high	18 Å²	18	7.8 Å²	7.8	19%	0.186	6%	0.055	C	C	.	.	H	α-helix	trans	-68.1	-45.5	172.4	0	0	0	0	0	111.3	M678 K679 F680	G676-M678 VanDerWaalsContact C-N 3.33Å; G676-M678 PolarHBondContact O-N 3.28Å; G676-K679 WeakPolarHBondContact O-CB 3.31Å; G676-K679 PolarHBondContact O-N 2.95Å; G676-F680 WeakPolarHBondContact O-CD2 3.36Å; G676-F680 PolarHBondContact O-N 3.19Å; G676-F680 VanDerWaalsContact O-N 3.09Å
677	N	98.1	Very high	95.9	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.011	5%	0.054	C	C	.	.	H	α-helix	trans	-49.3	-48.3	174.5	56.1	-6.1	0	0	0	112.8	Q664 S673 G674 T675 K679 F680 M681 N695 M698	Q664-N677 HydrophobicContact CG-CB 3.69Å; S673-N677 PolarHBondContact O-ND2 3.36Å; G674-N677 PolarHBondContact O-OD1 3.47Å; T675-N677 WeakPolarHBondContact CA-OD1 2.97Å; T675-N677 PolarHBondContact N-OD1 3.38Å; N677-K679 VanDerWaalsContact C-N 3.3Å; N677-K679 PolarHBondContact O-N 2.9Å; N677-F680 PolarHBondContact O-N 3.37Å; N677-M681 WeakPolarHBondContact O-CB 3.43Å; N677-M681 PolarHBondContact O-N 2.98Å; N677-N695 PolarHBondContact ND2-OD1 3.43Å; N677-M698 HydrophobicContact CB-CE 3.97Å; N677-M698 HydrophobicContact CB-SD 3.55Å; N677-M698 VanDerWaalsContact CB-SD 3.55Å; N677-M698 VanDerWaalsContact CG-SD 3.58Å
678	M	98.7	Very high	96	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-60.4	-37.9	177.4	-60.1	170.7	-175.7	0	0	112.4	N483 I485 T675 G676 L682 A694 F810	N483-M678 HydrophobicContact CB-CE 4.11Å; N483-M678 WeakPolarHBondContact O-CE 3.4Å; I485-M678 HydrophobicContact CD1-CB 3.88Å; I485-M678 HydrophobicContact CG1-CB 4.16Å; I485-M678 HydrophobicContact CG2-CB 4.26Å; I485-M678 HydrophobicContact CG2-SD 4.42Å; T675-M678 HydrophobicContact CG2-SD 4.39Å; G676-M678 VanDerWaalsContact C-N 3.33Å; G676-M678 PolarHBondContact O-N 3.28Å; M678-L682 WeakPolarHBondContact O-CB 3.42Å; M678-L682 PolarHBondContact O-N 3.32Å; M678-A694 HydrophobicContact CE-CB 3.53Å; M678-F810 HydrophobicContact CB-CB 4.09Å; M678-F810 HydrophobicContact CE-CD1 3.83Å; M678-F810 HydrophobicContact CE-CE1 4.5Å; M678-F810 HydrophobicContact CG-CB 3.85Å; M678-F810 HydrophobicContact CG-CD1 4.05Å; M678-F810 HydrophobicContact CG-CG 3.93Å; M678-F810 HydrophobicContact SD-CB 3.95Å; M678-F810 HydrophobicContact SD-CD1 4.15Å; M678-F810 HydrophobicContact SD-CG 4.32Å
679	K	98.8	Very high	96.1	Very high	12 Å²	12	7.2 Å²	7.2	5%	0.052	5%	0.052	C	C	.	.	H	α-helix	trans	-70.5	-41.5	-179.2	-59.2	164.8	-170	-175.9	0	111.2	I485 W490 I656 T675 G676 N677 L682 N683	I485-K679 HydrophobicContact CB-CG 4.49Å; I485-K679 VanDerWaalsContact CD1-CA 3.48Å; I485-K679 HydrophobicContact CD1-CB 4.05Å; I485-K679 HydrophobicContact CD1-CG 3.55Å; I485-K679 HydrophobicContact CG2-CG 4.01Å; W490-K679 HydrophobicContact CB-CG 4.29Å; W490-K679 HydrophobicContact CD2-CD 3.66Å; W490-K679 HydrophobicContact CD2-CG 3.86Å; W490-K679 VanDerWaalsContact CE2-CE 3.44Å; W490-K679 HydrophobicContact CE3-CD 3.72Å; W490-K679 HydrophobicContact CE3-CG 4.11Å; W490-K679 HydrophobicContact CG-CD 4.25Å; W490-K679 HydrophobicContact CG-CG 3.94Å; W490-K679 HydrophobicContact CH2-CD 4.14Å; W490-K679 HydrophobicContact CZ2-CD 4.08Å; W490-K679 HydrophobicContact CZ3-CD 3.96Å; I656-K679 HydrophobicContact CD1-CB 3.86Å; I656-K679 HydrophobicContact CD1-CD 3.74Å; I656-K679 HydrophobicContact CD1-CG 4.42Å; I656-K679 HydrophobicContact CG2-CB 4.08Å; I656-K679 WeakPolarHBondContact CG2-O 3.26Å; T675-K679 WeakPolarHBondContact O-CE 3.25Å; T675-K679 VanDerWaalsContact O-CG 3.31Å; T675-K679 WeakPolarHBondContact O-CG 3.4Å; G676-K679 WeakPolarHBondContact O-CB 3.31Å; G676-K679 PolarHBondContact O-N 2.95Å; N677-K679 VanDerWaalsContact C-N 3.3Å; N677-K679 PolarHBondContact O-N 2.9Å; K679-L682 PolarHBondContact O-N 2.74Å; K679-N683 WeakPolarHBondContact O-CB 3.48Å; K679-N683 PolarHBondContact O-N 3Å; K679-N683 VanDerWaalsContact O-N 3.14Å; K679-N683 PolarHBondContact O-ND2 3.06Å
680	F	98.9	Very high	96.5	Very high	1 Å²	1	6.5 Å²	6.5	0%	0.004	4%	0.044	C	C	.	.	H	α-helix	trans	-63	-47.5	176.2	-77.6	-63.1	0	0	0	111.2	V564 V566 I656 T659 S662 G676 N677 L682 N683 G684 A685	V564-F680 HydrophobicContact CG1-CE1 4.4Å; V564-F680 HydrophobicContact CG1-CZ 4.11Å; V566-F680 HydrophobicContact CG2-CE2 4.1Å; V566-F680 HydrophobicContact CG2-CZ 3.65Å; I656-F680 HydrophobicContact CB-CD1 4.35Å; I656-F680 HydrophobicContact CB-CE1 4.09Å; I656-F680 HydrophobicContact CG1-CD1 4.22Å; I656-F680 HydrophobicContact CG1-CE1 3.68Å; I656-F680 HydrophobicContact CG1-CE2 4.39Å; I656-F680 HydrophobicContact CG1-CZ 3.78Å; I656-F680 HydrophobicContact CG2-CD1 4Å; I656-F680 HydrophobicContact CG2-CE1 4.25Å; T659-F680 HydrophobicContact CG2-CD1 3.73Å; T659-F680 HydrophobicContact CG2-CE1 3.7Å; T659-F680 VanDerWaalsContact OG1-CE1 3.27Å; T659-F680 WeakPolarHBondContact OG1-CE1 3.46Å; S662-F680 VanDerWaalsContact CB-CG 3.43Å; S662-F680 VanDerWaalsContact OG-CD2 3.3Å; S662-F680 WeakPolarHBondContact OG-CD2 3.46Å; G676-F680 WeakPolarHBondContact O-CD2 3.36Å; G676-F680 PolarHBondContact O-N 3.19Å; G676-F680 VanDerWaalsContact O-N 3.09Å; N677-F680 PolarHBondContact O-N 3.37Å; F680-L682 PolarHBondContact O-N 3.49Å; F680-N683 CarbonylContact O-C 3.48Å; F680-N683 PolarHBondContact O-N 2.73Å; F680-N683 VanDerWaalsContact O-N 3.12Å; F680-G684 PolarHBondContact O-N 3.08Å; F680-A685 HydrophobicContact CB-CB 3.99Å; F680-A685 HydrophobicContact CD1-CB 4.1Å; F680-A685 HydrophobicContact CG-CB 4.5Å; F680-A685 PolarHBondContact O-N 2.71Å
681	M	98.8	Very high	96.8	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-57.6	-46.3	176.9	-164.9	-172.3	179.1	0	0	111.8	N677 N683 G684 M698 A702 N803 A806 T807 F810	N677-M681 WeakPolarHBondContact O-CB 3.43Å; N677-M681 PolarHBondContact O-N 2.98Å; M681-N683 VanDerWaalsContact C-N 3.25Å; M681-N683 PolarHBondContact O-N 2.82Å; M681-G684 PolarHBondContact O-N 2.95Å; M681-M698 HydrophobicContact CB-CE 4.02Å; M681-M698 HydrophobicContact CE-CB 4.5Å; M681-M698 HydrophobicContact CG-CE 4.24Å; M681-M698 HydrophobicContact SD-CB 4.02Å; M681-M698 HydrophobicContact SD-CE 3.83Å; M681-M698 HydrophobicContact SD-CG 3.74Å; M681-M698 HydrophobicContact SD-SD 4.39Å; M681-A702 HydrophobicContact CE-CB 3.71Å; M681-N803 HydrophobicContact CE-CB 4.42Å; M681-N803 WeakPolarHBondContact CE-O 3.36Å; M681-N803 HydrophobicContact CG-CB 4.07Å; M681-A806 HydrophobicContact CE-CB 3.77Å; M681-T807 HydrophobicContact CB-CG2 3.85Å; M681-T807 HydrophobicContact CE-CG2 4.15Å; M681-T807 HydrophobicContact CG-CG2 3.43Å; M681-T807 VanDerWaalsContact CG-CG2 3.43Å; M681-T807 HydrophobicContact SD-CG2 3.7Å; M681-F810 HydrophobicContact CE-CE2 4.35Å; M681-F810 HydrophobicContact SD-CD2 4.14Å; M681-F810 HydrophobicContact SD-CE2 3.85Å
682	L	98.8	Very high	97	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-64	-28.3	178.6	-178.2	62	0	0	0	113.1	I485 L491 L514 L517 M678 K679 F680 T807	I485-L682 HydrophobicContact CD1-CB 4.5Å; I485-L682 HydrophobicContact CD1-CD2 4.01Å; L491-L682 HydrophobicContact CB-CD2 3.91Å; L491-L682 HydrophobicContact CB-CG 4.15Å; L491-L682 HydrophobicContact CD2-CD1 3.95Å; L491-L682 HydrophobicContact CD2-CG 4.29Å; L514-L682 HydrophobicContact CD1-CD1 4.27Å; L514-L682 HydrophobicContact CD2-CD1 4.32Å; L517-L682 HydrophobicContact CD1-CD1 3.75Å; M678-L682 WeakPolarHBondContact O-CB 3.42Å; M678-L682 PolarHBondContact O-N 3.32Å; K679-L682 PolarHBondContact O-N 2.74Å; F680-L682 PolarHBondContact O-N 3.49Å; L682-T807 HydrophobicContact CB-CG2 4.2Å; L682-T807 VanDerWaalsContact CD1-OG1 3.28Å; L682-T807 WeakPolarHBondContact CD1-OG1 3.17Å
683	N	98.9	Very high	97.2	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	12.9	179.7	-77.2	-86	0	0	0	113.6	W490 N495 K537 I656 K679 F680 M681	W490-N683 PolarHBondContact O-ND2 3.05Å; N495-N683 WeakPolarHBondContact CB-OD1 3.39Å; N495-N683 PolarHBondContact ND2-OD1 2.71Å; K537-N683 PolarHBondContact NZ-O 3.35Å; I656-N683 HydrophobicContact CG2-CB 3.89Å; K679-N683 WeakPolarHBondContact O-CB 3.48Å; K679-N683 PolarHBondContact O-N 3Å; K679-N683 VanDerWaalsContact O-N 3.14Å; K679-N683 PolarHBondContact O-ND2 3.06Å; F680-N683 CarbonylContact O-C 3.48Å; F680-N683 PolarHBondContact O-N 2.73Å; F680-N683 VanDerWaalsContact O-N 3.12Å; M681-N683 VanDerWaalsContact C-N 3.25Å; M681-N683 PolarHBondContact O-N 2.82Å
684	G	98.4	Very high	97.3	Very high	3 Å²	3	4 Å²	4	3%	0.031	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	35.5	175	0	0	0	0	0	114.6	F680 M681 V800	F680-G684 PolarHBondContact O-N 3.08Å; M681-G684 PolarHBondContact O-N 2.95Å; G684-V800 WeakPolarHBondContact O-CG1 3.4Å
685	A	98.8	Very high	97.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.024	C	C	.	.			trans	-95.2	139.4	162.4	0	0	0	0	0	109.7	T659 D660 F680	T659-A685 HydrophobicContact CG2-CB 3.79Å; T659-A685 WeakPolarHBondContact O-CB 3.46Å; D660-A685 CarbonylContact O-C 3.57Å; D660-A685 WeakPolarHBondContact O-CA 3.34Å; F680-A685 HydrophobicContact CB-CB 3.99Å; F680-A685 HydrophobicContact CD1-CB 4.1Å; F680-A685 HydrophobicContact CG-CB 4.5Å; F680-A685 PolarHBondContact O-N 2.71Å
686	L	98.9	Very high	97.9	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	152.1	170.9	-62	-174.2	0	0	0	110.1	D660 L661 S662 F708 L789 W796 M799 V800 N803	D660-L686 PolarHBondContact O-N 2.82Å; L661-L686 CarbonylContact C-O 3.51Å; L661-L686 WeakPolarHBondContact CA-O 3.48Å; S662-L686 PolarHBondContact N-O 3.47Å; L686-F708 HydrophobicContact CB-CD2 4.45Å; L686-F708 HydrophobicContact CB-CE2 4.15Å; L686-F708 HydrophobicContact CD1-CE2 3.84Å; L686-L789 HydrophobicContact CD1-CD2 4.3Å; L686-W796 HydrophobicContact CB-CH2 4.21Å; L686-W796 HydrophobicContact CB-CZ2 4.18Å; L686-W796 HydrophobicContact CD1-CD2 3.73Å; L686-W796 HydrophobicContact CD1-CE3 3.72Å; L686-W796 HydrophobicContact CD1-CG 4.48Å; L686-W796 HydrophobicContact CD1-CH2 3.76Å; L686-W796 HydrophobicContact CD1-CZ2 3.74Å; L686-W796 HydrophobicContact CD1-CZ3 3.75Å; L686-W796 HydrophobicContact CG-CH2 4.27Å; L686-W796 HydrophobicContact CG-CZ2 3.96Å; L686-M799 HydrophobicContact CD1-CB 4.21Å; L686-M799 HydrophobicContact CD1-CG 4.07Å; L686-M799 HydrophobicContact CD1-SD 3.65Å; L686-M799 HydrophobicContact CD2-CB 4.16Å; L686-M799 HydrophobicContact CD2-CG 3.74Å; L686-M799 HydrophobicContact CD2-SD 4.17Å; L686-V800 HydrophobicContact CD1-CG2 4.47Å; L686-V800 HydrophobicContact CD2-CG2 3.83Å; L686-V800 HydrophobicContact CG-CG2 3.88Å; L686-N803 WeakPolarHBondContact CD2-ND2 3.47Å
687	T	98.9	Very high	97.9	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.9	-175.9	-61.6	0	0	0	0	110.3	Q664 M698 F708	Q664-T687 HydrophobicContact CB-CG2 4Å; Q664-T687 HydrophobicContact CG-CG2 3.74Å; T687-M698 HydrophobicContact CG2-CE 4.33Å; T687-F708 PolarHBondContact O-N 3.2Å
688	I	98.9	Very high	97.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.1	159.9	-175.8	170.7	0	0	0	108.4	L661 S662 E663 Q664 F708 F710 Y779 T782 Q783 V786	L661-I688 HydrophobicContact CD1-CB 4.11Å; L661-I688 HydrophobicContact CD1-CG2 3.95Å; L661-I688 HydrophobicContact CD2-CG2 3.85Å; L661-I688 HydrophobicContact CG-CG2 3.85Å; S662-I688 PolarHBondContact O-N 2.93Å; S662-I688 VanDerWaalsContact O-N 3.11Å; E663-I688 VanDerWaalsContact CD-CG2 3.41Å; E663-I688 HydrophobicContact CG-CG2 4.37Å; E663-I688 WeakPolarHBondContact OE1-CG2 3.08Å; E663-I688 WeakPolarHBondContact OE2-CG2 3.27Å; Q664-I688 PolarHBondContact N-O 2.51Å; I688-F708 WeakPolarHBondContact CA-O 3.32Å; I688-F708 HydrophobicContact CB-CB 3.97Å; I688-F708 HydrophobicContact CG1-CB 4.07Å; I688-F710 HydrophobicContact CD1-CD1 4.39Å; I688-F710 HydrophobicContact CD1-CE1 4.43Å; I688-F710 HydrophobicContact CG1-CD1 3.85Å; I688-F710 HydrophobicContact CG1-CE1 3.85Å; I688-Y779 HydrophobicContact CD1-CD2 3.95Å; I688-Y779 HydrophobicContact CD1-CE2 3.71Å; I688-Y779 HydrophobicContact CG1-CE2 4.34Å; I688-T782 HydrophobicContact CD1-CG2 3.84Å; I688-T782 HydrophobicContact CG1-CG2 4.08Å; I688-Q783 HydrophobicContact CD1-CG 3.73Å; I688-V786 HydrophobicContact CD1-CG2 4.36Å
689	G	98.4	Very high	97.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	168.2	-172	0	0	0	0	0	114.7	Q664 F708 I709 F710	Q664-G689 WeakPolarHBondContact O-CA 3.21Å; G689-F708 PolarHBondContact N-O 3.39Å; G689-I709 WeakPolarHBondContact O-CA 3.48Å; G689-F710 WeakPolarHBondContact O-CD1 3.47Å; G689-F710 PolarHBondContact O-N 3.38Å; G689-F710 VanDerWaalsContact O-N 3.11Å
690	T	98.4	Very high	97.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.			trans	-85.2	163.8	170.3	49	0	0	0	0	110.8	Q664 S666 D692 N695 F710	Q664-T690 PolarHBondContact O-N 2.6Å; S666-T690 WeakPolarHBondContact O-CB 3.29Å; S666-T690 VanDerWaalsContact O-CG2 3.28Å; S666-T690 WeakPolarHBondContact O-CG2 3.45Å; S666-T690 PolarHBondContact O-OG1 3.05Å; T690-D692 PolarHBondContact O-N 3.03Å; T690-N695 WeakPolarHBondContact O-CB 3.27Å; T690-N695 PolarHBondContact O-ND2 3.27Å; T690-F710 WeakPolarHBondContact CA-O 3.48Å; T690-F710 HydrophobicContact CG2-CE2 4.33Å; T690-F710 HydrophobicContact CG2-CZ 4.22Å
691	M	97.1	Very high	97.8	Very high	14 Å²	14	11.4 Å²	11.4	7%	0.069	6%	0.056	C	C	.	.	S	Bend	trans	-75.2	69	169.1	-69.4	-64.4	-88.2	0	0	110.6	V696 A699 I709 R713	M691-V696 HydrophobicContact CB-CG2 4.15Å; M691-V696 HydrophobicContact CE-CB 4.43Å; M691-V696 HydrophobicContact CE-CG1 4.15Å; M691-V696 HydrophobicContact CE-CG2 4.27Å; M691-V696 HydrophobicContact SD-CG2 4.36Å; M691-A699 HydrophobicContact SD-CB 4.47Å; M691-I709 HydrophobicContact CG-CG2 3.56Å; M691-I709 HydrophobicContact SD-CD1 4.06Å; M691-I709 HydrophobicContact SD-CG1 4.21Å; M691-I709 HydrophobicContact SD-CG2 3.9Å; M691-R713 HydrophobicContact CB-CG 4.48Å
692	D	94.7	Very high	97.7	Very high	3 Å²	3	12 Å²	12	2%	0.016	6%	0.061	C	C	.	.			trans	-130.3	147.5	-177.3	-164.6	26.1	0	0	0	111.5	S666 T667 G669 T670 E671 T690 A694 N695	S666-D692 VanDerWaalsContact CB-OD2 3.28Å; S666-D692 WeakPolarHBondContact CB-OD2 3.47Å; S666-D692 PolarHBondContact OG-OD2 3.17Å; T667-D692 VanDerWaalsContact O-OD2 3.05Å; G669-D692 WeakPolarHBondContact CA-OD1 3.32Å; G669-D692 PolarHBondContact N-OD1 2.94Å; T670-D692 PolarHBondContact N-OD1 2.81Å; E671-D692 WeakPolarHBondContact CB-OD2 3.27Å; E671-D692 PolarHBondContact N-OD2 2.69Å; T690-D692 PolarHBondContact O-N 3.03Å; D692-A694 PolarHBondContact O-N 3.33Å; D692-N695 VanDerWaalsContact O-CB 3.24Å; D692-N695 WeakPolarHBondContact O-CB 2.96Å; D692-N695 PolarHBondContact O-N 3.17Å
693	G	93.8	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	-129.3	178.7	0	0	0	0	0	114.1	I457 E671 N695	I457-G693 WeakPolarHBondContact CG2-O 3.32Å; E671-G693 WeakPolarHBondContact O-CA 2.85Å; E671-G693 PolarHBondContact O-N 2.94Å; G693-N695 VanDerWaalsContact C-N 3.29Å; G693-N695 PolarHBondContact O-N 2.98Å
694	A	95.9	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-79.3	-6	-179.1	0	0	0	0	0	113.7	S673 M678 D692 V696 E697 M698	S673-A694 VanDerWaalsContact O-CB 3.29Å; S673-A694 WeakPolarHBondContact O-CB 3.21Å; S673-A694 PolarHBondContact O-N 2.88Å; M678-A694 HydrophobicContact CE-CB 3.53Å; D692-A694 PolarHBondContact O-N 3.33Å; A694-V696 PolarHBondContact O-N 3.26Å; A694-E697 PolarHBondContact O-N 2.82Å; A694-M698 VanDerWaalsContact O-CG 3.25Å; A694-M698 WeakPolarHBondContact O-CG 3.48Å; A694-M698 PolarHBondContact O-N 2.87Å
695	N	97.8	Very high	97.4	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-33.7	173.7	-63.1	-9.3	0	0	0	111	Q664 N677 T690 D692 G693 M698 A699	Q664-N695 WeakPolarHBondContact CB-ND2 3.4Å; Q664-N695 PolarHBondContact O-ND2 3.41Å; N677-N695 PolarHBondContact ND2-OD1 3.43Å; T690-N695 WeakPolarHBondContact O-CB 3.27Å; T690-N695 PolarHBondContact O-ND2 3.27Å; D692-N695 VanDerWaalsContact O-CB 3.24Å; D692-N695 WeakPolarHBondContact O-CB 2.96Å; D692-N695 PolarHBondContact O-N 3.17Å; G693-N695 VanDerWaalsContact C-N 3.29Å; G693-N695 PolarHBondContact O-N 2.98Å; N695-M698 PolarHBondContact O-N 2.89Å; N695-A699 WeakPolarHBondContact O-CB 3.39Å; N695-A699 PolarHBondContact O-N 3.04Å
696	V	97.3	Very high	97.4	Very high	23 Å²	23	24.1 Å²	24.1	14%	0.139	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-52.4	175.9	177.5	0	0	0	0	109.8	I457 M691 A694 M698 A699 E700	I457-V696 HydrophobicContact CD1-CG2 4.22Å; M691-V696 HydrophobicContact CB-CG2 4.15Å; M691-V696 HydrophobicContact CE-CB 4.43Å; M691-V696 HydrophobicContact CE-CG1 4.15Å; M691-V696 HydrophobicContact CE-CG2 4.27Å; M691-V696 HydrophobicContact SD-CG2 4.36Å; A694-V696 PolarHBondContact O-N 3.26Å; V696-M698 VanDerWaalsContact C-N 3.3Å; V696-M698 PolarHBondContact O-N 3.3Å; V696-A699 WeakPolarHBondContact O-CB 3.08Å; V696-A699 PolarHBondContact O-N 3.26Å; V696-E700 WeakPolarHBondContact O-CG 3.23Å; V696-E700 PolarHBondContact O-N 3.2Å
697	E	97.9	Very high	97.3	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.023	13%	0.125	C	C	.	.	H	α-helix	trans	-68	-30.2	-179.7	-64.3	178.1	75.2	0	0	112.3	A455 Q456 T482 A694 E701 K809 F810	A455-E697 WeakPolarHBondContact CA-OE2 3.33Å; A455-E697 WeakPolarHBondContact CB-OE2 3.38Å; Q456-E697 PolarHBondContact N-OE2 3.14Å; T482-E697 WeakPolarHBondContact CB-OE1 3.39Å; T482-E697 WeakPolarHBondContact CG2-OE1 3.29Å; T482-E697 VanDerWaalsContact CG2-OE2 3.3Å; T482-E697 WeakPolarHBondContact CG2-OE2 3.23Å; T482-E697 PolarHBondContact OG1-OE1 2.84Å; T482-E697 PolarHBondContact OG1-OE2 2.78Å; A694-E697 PolarHBondContact O-N 2.82Å; E697-E701 WeakPolarHBondContact O-CG 3.4Å; E697-E701 PolarHBondContact O-N 3.36Å; E697-E701 VanDerWaalsContact O-N 3.09Å; E697-K809 VanDerWaalsContact OE1-CE 3.28Å; E697-K809 WeakPolarHBondContact OE1-CE 3.33Å; E697-K809 IonicContact OE1-NZ 2.69Å; E697-K809 PolarHBondContact OE1-NZ 3.32Å; E697-K809 VanDerWaalsContact OE1-NZ 3.16Å; E697-F810 HydrophobicContact CB-CE1 4.07Å; E697-F810 HydrophobicContact CB-CZ 4.3Å
698	M	98.4	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-42.3	172.5	-72.2	168.1	50	0	0	111.7	N677 M681 T687 A694 N695 V696 E700 E701 A702 L707 F810	N677-M698 HydrophobicContact CB-CE 3.97Å; N677-M698 HydrophobicContact CB-SD 3.55Å; N677-M698 VanDerWaalsContact CB-SD 3.55Å; N677-M698 VanDerWaalsContact CG-SD 3.58Å; M681-M698 HydrophobicContact CB-CE 4.02Å; M681-M698 HydrophobicContact CE-CB 4.5Å; M681-M698 HydrophobicContact CG-CE 4.24Å; M681-M698 HydrophobicContact SD-CB 4.02Å; M681-M698 HydrophobicContact SD-CE 3.83Å; M681-M698 HydrophobicContact SD-CG 3.74Å; M681-M698 HydrophobicContact SD-SD 4.39Å; T687-M698 HydrophobicContact CG2-CE 4.33Å; A694-M698 VanDerWaalsContact O-CG 3.25Å; A694-M698 WeakPolarHBondContact O-CG 3.48Å; A694-M698 PolarHBondContact O-N 2.87Å; N695-M698 PolarHBondContact O-N 2.89Å; V696-M698 VanDerWaalsContact C-N 3.3Å; V696-M698 PolarHBondContact O-N 3.3Å; M698-E700 VanDerWaalsContact C-N 3.34Å; M698-E701 PolarHBondContact O-N 2.6Å; M698-A702 WeakPolarHBondContact O-CB 3.28Å; M698-A702 PolarHBondContact O-N 3.23Å; M698-L707 HydrophobicContact CB-CD2 4.2Å; M698-F810 HydrophobicContact CB-CE2 4.39Å; M698-F810 HydrophobicContact CB-CZ 4.19Å; M698-F810 HydrophobicContact CG-CD2 4.43Å; M698-F810 HydrophobicContact CG-CE1 4.15Å; M698-F810 HydrophobicContact CG-CE2 3.71Å; M698-F810 HydrophobicContact CG-CZ 3.57Å
699	A	97.5	Very high	97.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-65.8	-37.8	175.7	0	0	0	0	0	111.7	M691 N695 V696 G703 E704 L707	M691-A699 HydrophobicContact SD-CB 4.47Å; N695-A699 WeakPolarHBondContact O-CB 3.39Å; N695-A699 PolarHBondContact O-N 3.04Å; V696-A699 WeakPolarHBondContact O-CB 3.08Å; V696-A699 PolarHBondContact O-N 3.26Å; A699-G703 CarbonylContact O-C 3.54Å; A699-G703 WeakPolarHBondContact O-CA 3.41Å; A699-G703 PolarHBondContact O-N 3.06Å; A699-E704 HydrophobicContact CB-CG 4.13Å; A699-E704 PolarHBondContact O-N 2.88Å; A699-L707 HydrophobicContact CB-CD2 4.07Å
700	E	97.6	Very high	97.3	Very high	124 Å²	124	27.9 Å²	27.9	58%	0.579	14%	0.14	S	C	*	.	H	α-helix	trans	-62.1	-44.2	173.9	-71.6	169.6	-179.2	0	0	112.6	V696 M698 K809	V696-E700 WeakPolarHBondContact O-CG 3.23Å; V696-E700 PolarHBondContact O-N 3.2Å; M698-E700 VanDerWaalsContact C-N 3.34Å; E700-K809 IonicContact OE2-NZ 3.11Å
701	E	98.3	Very high	97.3	Very high	61 Å²	61	28.9 Å²	28.9	29%	0.285	15%	0.151	S	C	.	.	H	α-helix	trans	-75.3	-38.9	-178.6	-70	-64.6	135	0	0	112.9	K518 E697 M698 A806 K809 F810	K518-E701 IonicContact NZ-OE2 2.73Å; E697-E701 WeakPolarHBondContact O-CG 3.4Å; E697-E701 PolarHBondContact O-N 3.36Å; E697-E701 VanDerWaalsContact O-N 3.09Å; M698-E701 PolarHBondContact O-N 2.6Å; E701-A806 HydrophobicContact CB-CB 4.11Å; E701-A806 WeakPolarHBondContact O-CB 3.19Å; E701-K809 HydrophobicContact CG-CB 4.03Å; E701-K809 HydrophobicContact CG-CD 3.66Å; E701-K809 VanDerWaalsContact OE1-CD 3.32Å; E701-K809 WeakPolarHBondContact OE1-CD 3.49Å; E701-K809 IonicContact OE1-NZ 3.71Å; E701-F810 HydrophobicContact CB-CE2 4.48Å; E701-F810 HydrophobicContact CG-CE2 4.36Å; E701-F810 HydrophobicContact CG-CZ 4.16Å
702	A	97.5	Very high	97.3	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	15%	0.152	C	C	.	.	H	α-helix	trans	-87.2	-17.9	-177.5	0	0	0	0	0	113.7	M681 M698 N706 L707 A806	M681-A702 HydrophobicContact CE-CB 3.71Å; M698-A702 WeakPolarHBondContact O-CB 3.28Å; M698-A702 PolarHBondContact O-N 3.23Å; A702-N706 HydrophobicContact CB-CB 4.48Å; A702-N706 PolarHBondContact O-ND2 2.97Å; A702-L707 HydrophobicContact CB-CD1 3.66Å; A702-A806 HydrophobicContact CB-CB 3.85Å
703	G	97.6	Very high	97.4	Very high	19 Å²	19	33.8 Å²	33.8	20%	0.196	17%	0.169	C	C	.	.			trans	84.8	131.5	-162.9	0	0	0	0	0	110.9	A699 E705 N706	A699-G703 CarbonylContact O-C 3.54Å; A699-G703 WeakPolarHBondContact O-CA 3.41Å; A699-G703 PolarHBondContact O-N 3.06Å; G703-E705 WeakPolarHBondContact CA-OE2 3.48Å; G703-E705 PolarHBondContact O-N 2.79Å; G703-E705 VanDerWaalsContact O-N 3.13Å; G703-N706 PolarHBondContact O-N 2.81Å
704	E	95.9	Very high	97.3	Very high	104 Å²	104	35 Å²	35	49%	0.486	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-56.7	-29.7	-178.7	-70.5	-166.9	-179.7	0	0	112.1	A699 N706 L707	A699-E704 HydrophobicContact CB-CG 4.13Å; A699-E704 PolarHBondContact O-N 2.88Å; E704-N706 PolarHBondContact O-N 3.3Å; E704-L707 PolarHBondContact O-N 3.17Å; E704-L707 VanDerWaalsContact O-O 3.06Å
705	E	96.3	Very high	97.3	Very high	131 Å²	131	41.1 Å²	41.1	61%	0.612	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-68	-13.4	178.5	77.5	-74.3	175.8	0	0	114.2	G703 M799	G703-E705 WeakPolarHBondContact CA-OE2 3.48Å; G703-E705 PolarHBondContact O-N 2.79Å; G703-E705 VanDerWaalsContact O-N 3.13Å; E705-M799 WeakPolarHBondContact O-CE 3.35Å
706	N	98.1	Very high	97.2	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.032	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-102.6	8	178.9	-55.7	-65.5	0	0	0	112.6	A702 G703 E704 M799 K802 N803	A702-N706 HydrophobicContact CB-CB 4.48Å; A702-N706 PolarHBondContact O-ND2 2.97Å; G703-N706 PolarHBondContact O-N 2.81Å; E704-N706 PolarHBondContact O-N 3.3Å; N706-M799 HydrophobicContact CB-CG 3.82Å; N706-K802 VanDerWaalsContact OD1-CD 3.27Å; N706-K802 WeakPolarHBondContact OD1-CD 3.19Å; N706-K802 PolarHBondContact OD1-NZ 2.96Å; N706-N803 PolarHBondContact O-ND2 3.13Å
707	L	98.1	Very high	97.1	Very high	11 Å²	11	44 Å²	44	6%	0.058	22%	0.22	C	C	.	.	S	Bend	trans	-125.5	155.2	171.1	-81.8	77.6	0	0	0	110.7	M698 A699 A702 E704 I709	M698-L707 HydrophobicContact CB-CD2 4.2Å; A699-L707 HydrophobicContact CB-CD2 4.07Å; A702-L707 HydrophobicContact CB-CD1 3.66Å; E704-L707 PolarHBondContact O-N 3.17Å; E704-L707 VanDerWaalsContact O-O 3.06Å; L707-I709 HydrophobicContact CB-CD1 4.02Å; L707-I709 HydrophobicContact CB-CG1 4.1Å; L707-I709 HydrophobicContact CD2-CD1 4.1Å; L707-I709 PolarHBondContact O-N 3.32Å
708	F	98.8	Very high	96.9	Very high	21 Å²	21	45.7 Å²	45.7	9%	0.092	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	79.2	175.1	-63.7	-77.5	0	0	0	110.3	L661 L686 T687 I688 G689 T782 K785 V786 L789 W796 M799	L661-F708 HydrophobicContact CD1-CD2 4.34Å; L686-F708 HydrophobicContact CB-CD2 4.45Å; L686-F708 HydrophobicContact CB-CE2 4.15Å; L686-F708 HydrophobicContact CD1-CE2 3.84Å; T687-F708 PolarHBondContact O-N 3.2Å; I688-F708 WeakPolarHBondContact CA-O 3.32Å; I688-F708 HydrophobicContact CB-CB 3.97Å; I688-F708 HydrophobicContact CG1-CB 4.07Å; G689-F708 PolarHBondContact N-O 3.39Å; F708-T782 HydrophobicContact CB-CG2 3.74Å; F708-K785 HydrophobicContact CD1-CB 4.48Å; F708-K785 HydrophobicContact CE1-CB 4.33Å; F708-V786 HydrophobicContact CB-CG2 4.07Å; F708-V786 HydrophobicContact CD1-CG2 3.63Å; F708-V786 HydrophobicContact CD2-CG2 3.63Å; F708-V786 HydrophobicContact CE1-CB 4.42Å; F708-V786 HydrophobicContact CE1-CG2 3.85Å; F708-V786 HydrophobicContact CE2-CB 4.5Å; F708-V786 HydrophobicContact CE2-CG2 3.83Å; F708-V786 HydrophobicContact CG-CG2 3.5Å; F708-V786 VanDerWaalsContact CG-CG2 3.5Å; F708-V786 HydrophobicContact CZ-CB 4.34Å; F708-V786 HydrophobicContact CZ-CG2 3.93Å; F708-L789 HydrophobicContact CZ-CB 4.3Å; F708-L789 HydrophobicContact CZ-CD2 3.72Å; F708-W796 HydrophobicContact CE2-CZ3 4.3Å; F708-W796 HydrophobicContact CZ-CZ3 4.45Å; F708-M799 HydrophobicContact CE2-SD 4.37Å; F708-M799 HydrophobicContact CZ-SD 4.4Å
709	I	98.5	Very high	96.7	Very high	41 Å²	41	50.3 Å²	50.3	21%	0.21	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.6	-179.6	-57	-57.5	0	0	0	111.2	G689 M691 L707	G689-I709 WeakPolarHBondContact O-CA 3.48Å; M691-I709 HydrophobicContact CG-CG2 3.56Å; M691-I709 HydrophobicContact SD-CD1 4.06Å; M691-I709 HydrophobicContact SD-CG1 4.21Å; M691-I709 HydrophobicContact SD-CG2 3.9Å; L707-I709 HydrophobicContact CB-CD1 4.02Å; L707-I709 HydrophobicContact CB-CG1 4.1Å; L707-I709 HydrophobicContact CD2-CD1 4.1Å; L707-I709 PolarHBondContact O-N 3.32Å
710	F	98.6	Very high	96.6	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.026	27%	0.265	C	S	.	.			trans	-148.5	171.5	176.3	78.3	-83	0	0	0	112.2	L577 I665 I688 G689 T690 D775 D778 Y779 T782	L577-F710 HydrophobicContact CD2-CE2 4.16Å; L577-F710 HydrophobicContact CD2-CZ 4.27Å; I665-F710 HydrophobicContact CB-CE1 4.37Å; I665-F710 HydrophobicContact CB-CZ 3.94Å; I665-F710 HydrophobicContact CG2-CE1 3.62Å; I665-F710 HydrophobicContact CG2-CZ 3.62Å; I688-F710 HydrophobicContact CD1-CD1 4.39Å; I688-F710 HydrophobicContact CD1-CE1 4.43Å; I688-F710 HydrophobicContact CG1-CD1 3.85Å; I688-F710 HydrophobicContact CG1-CE1 3.85Å; G689-F710 WeakPolarHBondContact O-CD1 3.47Å; G689-F710 PolarHBondContact O-N 3.38Å; G689-F710 VanDerWaalsContact O-N 3.11Å; T690-F710 WeakPolarHBondContact CA-O 3.48Å; T690-F710 HydrophobicContact CG2-CE2 4.33Å; T690-F710 HydrophobicContact CG2-CZ 4.22Å; F710-D775 HydrophobicContact CE2-CB 4.23Å; F710-D778 WeakPolarHBondContact CA-OD2 3.33Å; F710-D778 WeakPolarHBondContact CB-OD2 3.45Å; F710-Y779 HydrophobicContact CD1-CD2 4.15Å; F710-Y779 HydrophobicContact CD2-CD2 4.22Å; F710-Y779 HydrophobicContact CD2-CG 4.46Å; F710-Y779 AromaticContact CE1-CD2 3.56Å; F710-Y779 HydrophobicContact CE1-CD2 3.56Å; F710-Y779 HydrophobicContact CE1-CE2 4.1Å; F710-Y779 AromaticContact CE2-CD2 3.67Å; F710-Y779 HydrophobicContact CE2-CD2 3.67Å; F710-Y779 AromaticContact CE2-CG 3.9Å; F710-Y779 HydrophobicContact CE2-CG 3.9Å; F710-Y779 HydrophobicContact CG-CD2 4.45Å; F710-Y779 AromaticContact CZ-CD2 3.29Å; F710-Y779 HydrophobicContact CZ-CD2 3.29Å; F710-Y779 HydrophobicContact CZ-CE2 4Å; F710-Y779 AromaticContact CZ-CG 3.95Å; F710-Y779 HydrophobicContact CZ-CG 3.95Å; F710-T782 HydrophobicContact CB-CG2 4.2Å; F710-T782 WeakPolarHBondContact CB-OG1 3.39Å
711	G	97.8	Very high	96.4	Very high	22 Å²	22	50.7 Å²	50.7	23%	0.227	26%	0.262	C	S	.	.	S	Bend	trans	83.3	-179	167.8	0	0	0	0	0	114	D775 D778	G711-D775 VanDerWaalsContact CA-OD1 3.27Å; G711-D775 WeakPolarHBondContact CA-OD1 3.5Å; G711-D778 PolarHBondContact N-OD2 3.29Å
712	M	98	Very high	96.2	Very high	18 Å²	18	56.3 Å²	56.3	9%	0.089	29%	0.286	C	S	.	.			trans	-59.1	143.8	175.9	-71.8	-179.3	-63.6	0	0	112.2	A668 D716 V717 M720 K771 A774 D775	A668-M712 VanDerWaalsContact CB-O 3.24Å; A668-M712 WeakPolarHBondContact CB-O 3.38Å; M712-D716 HydrophobicContact CB-CB 3.87Å; M712-D716 HydrophobicContact CG-CB 3.93Å; M712-V717 HydrophobicContact CB-CG2 3.94Å; M712-V717 HydrophobicContact CE-CG2 4.15Å; M712-V717 HydrophobicContact SD-CG2 4.3Å; M712-M720 HydrophobicContact SD-CE 3.42Å; M712-M720 WeakPolarHBondContact SD-CE 3.37Å; M712-M720 HydrophobicContact SD-SD 3.98Å; M712-K771 HydrophobicContact CE-CB 3.82Å; M712-K771 HydrophobicContact CE-CD 3.88Å; M712-K771 HydrophobicContact SD-CD 4.48Å; M712-A774 HydrophobicContact CE-CB 3.54Å; M712-A774 HydrophobicContact SD-CB 4.04Å; M712-D775 WeakPolarHBondContact CG-OD1 3.2Å; M712-D775 PolarHBondContact N-OD1 2.89Å
713	R	96.4	Very high	96.1	Very high	101 Å²	101	63 Å²	63	38%	0.381	31%	0.313	S	S	.	.			trans	-87.7	173	163.2	-62.1	-178.4	174.8	-102.4	0.6	110.3	M691 E715 D716 V717	M691-R713 HydrophobicContact CB-CG 4.48Å; R713-E715 WeakPolarHBondContact CB-OE2 3.46Å; R713-E715 PolarHBondContact O-N 2.89Å; R713-D716 PolarHBondContact N-OD2 3.44Å; R713-D716 PolarHBondContact O-N 2.64Å; R713-D716 VanDerWaalsContact O-N 3.13Å; R713-V717 WeakPolarHBondContact O-CG2 3.35Å; R713-V717 PolarHBondContact O-N 3.38Å; R713-V717 VanDerWaalsContact O-N 3.09Å
714	V	92.1	Very high	96	Very high	26 Å²	26	64.5 Å²	64.5	16%	0.158	33%	0.329	C	S	.	.	H	α-helix	trans	-56.5	-39.7	-178.2	177.3	0	0	0	0	111.2	I457 A668 V717 A718	I457-V714 HydrophobicContact CD1-CG2 3.89Å; A668-V714 HydrophobicContact CB-CG2 4.14Å; V714-V717 PolarHBondContact O-N 2.99Å; V714-A718 PolarHBondContact O-N 2.83Å
715	E	93.9	Very high	96	Very high	128 Å²	128	62 Å²	62	60%	0.598	32%	0.315	S	S	*	.	H	α-helix	trans	-66	-39.8	-179.6	-58.1	75.2	-163.3	0	0	111.8	R713 A718 E719	R713-E715 WeakPolarHBondContact CB-OE2 3.46Å; R713-E715 PolarHBondContact O-N 2.89Å; E715-A718 PolarHBondContact O-N 3.48Å; E715-E719 PolarHBondContact O-N 2.76Å
716	D	97	Very high	96	Very high	71 Å²	71	59.4 Å²	59.4	38%	0.38	31%	0.306	S	S	.	.	H	α-helix	trans	-67.4	-39.6	178.1	-55.5	-49.7	0	0	0	111.1	M712 R713 E719 M720	M712-D716 HydrophobicContact CB-CB 3.87Å; M712-D716 HydrophobicContact CG-CB 3.93Å; R713-D716 PolarHBondContact N-OD2 3.44Å; R713-D716 PolarHBondContact O-N 2.64Å; R713-D716 VanDerWaalsContact O-N 3.13Å; D716-E719 PolarHBondContact O-N 2.75Å; D716-M720 WeakPolarHBondContact O-CB 3.3Å; D716-M720 PolarHBondContact O-N 3.48Å
717	V	95.6	Very high	96	Very high	16 Å²	16	59.2 Å²	59.2	10%	0.097	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-47.3	174.8	176.1	0	0	0	0	110.2	T667 A668 M712 R713 V714 E719 M720 D721 K771	T667-V717 HydrophobicContact CG2-CG2 4.12Å; A668-V717 HydrophobicContact CB-CG2 4.41Å; M712-V717 HydrophobicContact CB-CG2 3.94Å; M712-V717 HydrophobicContact CE-CG2 4.15Å; M712-V717 HydrophobicContact SD-CG2 4.3Å; R713-V717 WeakPolarHBondContact O-CG2 3.35Å; R713-V717 PolarHBondContact O-N 3.38Å; R713-V717 VanDerWaalsContact O-N 3.09Å; V714-V717 PolarHBondContact O-N 2.99Å; V717-E719 PolarHBondContact O-N 3.24Å; V717-M720 PolarHBondContact O-N 3.26Å; V717-D721 PolarHBondContact O-N 3.45Å; V717-K771 HydrophobicContact CG1-CD 4.18Å
718	A	92.1	Very high	95.9	Very high	42 Å²	42	62 Å²	62	35%	0.347	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-37	179.2	0	0	0	0	0	112.7	V714 E715 K722	V714-A718 PolarHBondContact O-N 2.83Å; E715-A718 PolarHBondContact O-N 3.48Å; A718-K722 WeakPolarHBondContact O-CG 3.42Å; A718-K722 PolarHBondContact O-N 3.05Å
719	E	95.7	Very high	95.9	Very high	97 Å²	97	64.7 Å²	64.7	45%	0.453	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-40.7	173.5	-172.3	178.3	175.8	0	0	111.4	E715 D716 V717 K722 K723	E715-E719 PolarHBondContact O-N 2.76Å; D716-E719 PolarHBondContact O-N 2.75Å; V717-E719 PolarHBondContact O-N 3.24Å; E719-K722 PolarHBondContact O-N 3.28Å; E719-K723 HydrophobicContact CG-CD 4.38Å; E719-K723 WeakPolarHBondContact O-CG 3.05Å; E719-K723 PolarHBondContact O-N 2.86Å; E719-K723 WeakPolarHBondContact OE1-CE 3.32Å; E719-K723 IonicContact OE1-NZ 2.77Å; E719-K723 PolarHBondContact OE1-NZ 3.32Å
720	M	95.6	Very high	95.8	Very high	34 Å²	34	65.4 Å²	65.4	17%	0.167	34%	0.337	C	S	.	.	H	α-helix	trans	-65.1	-40.4	176.6	-171.6	173.2	-66.1	0	0	112.1	M712 D716 V717 K722 K723 G724 Y725 Y730 K771 A774	M712-M720 HydrophobicContact SD-CE 3.42Å; M712-M720 WeakPolarHBondContact SD-CE 3.37Å; M712-M720 HydrophobicContact SD-SD 3.98Å; D716-M720 WeakPolarHBondContact O-CB 3.3Å; D716-M720 PolarHBondContact O-N 3.48Å; V717-M720 PolarHBondContact O-N 3.26Å; M720-K722 VanDerWaalsContact C-N 3.26Å; M720-K722 PolarHBondContact O-N 2.85Å; M720-K723 PolarHBondContact O-N 2.98Å; M720-G724 CarbonylContact O-C 3.59Å; M720-G724 PolarHBondContact O-N 3.01Å; M720-Y725 HydrophobicContact CG-CD2 4.48Å; M720-Y725 HydrophobicContact SD-CD2 3.6Å; M720-Y725 VanDerWaalsContact SD-CD2 3.6Å; M720-Y725 HydrophobicContact SD-CE2 4.39Å; M720-Y725 HydrophobicContact SD-CG 4.33Å; M720-Y730 VanDerWaalsContact CE-OH 3.23Å; M720-Y730 WeakPolarHBondContact CE-OH 3.46Å; M720-K771 HydrophobicContact CG-CD 4.35Å; M720-K771 HydrophobicContact SD-CD 3.64Å; M720-K771 HydrophobicContact SD-CG 4.2Å; M720-A774 HydrophobicContact CE-CB 3.95Å; M720-A774 HydrophobicContact SD-CB 4.07Å
721	D	92.9	Very high	95.8	Very high	98 Å²	98	66.3 Å²	66.3	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-35.4	175	-77.8	-35.9	0	0	0	112.2	V717 K771	V717-D721 PolarHBondContact O-N 3.45Å; D721-K771 VanDerWaalsContact OD1-CE 3.27Å; D721-K771 WeakPolarHBondContact OD1-CE 3.48Å; D721-K771 IonicContact OD1-NZ 3.57Å; D721-K771 PolarHBondContact OD1-NZ 2.76Å; D721-K771 IonicContact OD2-NZ 3.86Å; D721-K771 PolarHBondContact OD2-NZ 3.49Å
722	K	94.7	Very high	95.8	Very high	179 Å²	179	71.9 Å²	71.9	78%	0.778	36%	0.361	S	S	*	.	H	α-helix	trans	-70.3	-38.6	174.4	-69.6	169.7	-173.8	169.9	0	113	A718 E719 M720	A718-K722 WeakPolarHBondContact O-CG 3.42Å; A718-K722 PolarHBondContact O-N 3.05Å; E719-K722 PolarHBondContact O-N 3.28Å; M720-K722 VanDerWaalsContact C-N 3.26Å; M720-K722 PolarHBondContact O-N 2.85Å
723	K	94.8	Very high	95.8	Very high	152 Å²	152	78.3 Å²	78.3	66%	0.661	39%	0.388	S	S	*	.	H	α-helix	trans	-74.5	-27.8	179.2	-72	176.5	-176.2	167.1	0	112.6	E719 M720	E719-K723 HydrophobicContact CG-CD 4.38Å; E719-K723 WeakPolarHBondContact O-CG 3.05Å; E719-K723 PolarHBondContact O-N 2.86Å; E719-K723 WeakPolarHBondContact OE1-CE 3.32Å; E719-K723 IonicContact OE1-NZ 2.77Å; E719-K723 PolarHBondContact OE1-NZ 3.32Å; M720-K723 PolarHBondContact O-N 2.98Å
724	G	94.5	Very high	95.9	Very high	51 Å²	51	74 Å²	74	53%	0.526	37%	0.372	S	S	.	.			trans	91.9	119.6	-168.5	0	0	0	0	0	110.6	M720	M720-G724 CarbonylContact O-C 3.59Å; M720-G724 PolarHBondContact O-N 3.01Å
725	Y	96.8	Very high	96.2	Very high	50 Å²	50	77 Å²	77	20%	0.196	39%	0.393	C	S	.	.			trans	-77.8	125.6	173.6	169.9	-114	0	0	0	110.4	M720 A727 Y730 D768 K771 F773 A774	M720-Y725 HydrophobicContact CG-CD2 4.48Å; M720-Y725 HydrophobicContact SD-CD2 3.6Å; M720-Y725 VanDerWaalsContact SD-CD2 3.6Å; M720-Y725 HydrophobicContact SD-CE2 4.39Å; M720-Y725 HydrophobicContact SD-CG 4.33Å; Y725-A727 HydrophobicContact CE1-CB 4.03Å; Y725-Y730 HydrophobicContact CD2-CE2 4.21Å; Y725-Y730 HydrophobicContact CE2-CD2 4.12Å; Y725-Y730 AromaticContact CE2-CE2 3.87Å; Y725-Y730 HydrophobicContact CE2-CE2 3.87Å; Y725-D768 HydrophobicContact CE1-CB 3.96Å; Y725-D768 PolarHBondContact OH-OD2 3.11Å; Y725-K771 HydrophobicContact CD1-CG 4.38Å; Y725-K771 HydrophobicContact CD2-CB 4.39Å; Y725-K771 HydrophobicContact CD2-CG 4.15Å; Y725-K771 HydrophobicContact CE2-CB 4.15Å; Y725-K771 HydrophobicContact CE2-CG 4.37Å; Y725-K771 HydrophobicContact CG-CG 4.13Å; Y725-F773 PolarHBondContact OH-N 2.71Å; Y725-A774 HydrophobicContact CE2-CB 4.24Å
726	D	96.3	Very high	96.4	Very high	78 Å²	78	75.2 Å²	75.2	42%	0.417	38%	0.384	S	S	.	.			trans	-120.8	105.4	172.2	173	32.6	0	0	0	110.5	M728 T729 Y730	D726-M728 PolarHBondContact O-N 3.32Å; D726-M728 VanDerWaalsContact OD1-CB 3.28Å; D726-M728 WeakPolarHBondContact OD1-CB 3.45Å; D726-M728 PolarHBondContact OD1-N 3.14Å; D726-T729 PolarHBondContact O-N 3.44Å; D726-T729 PolarHBondContact OD2-N 3.16Å; D726-T729 PolarHBondContact OD2-OG1 2.77Å; D726-Y730 WeakPolarHBondContact O-CD2 3.45Å
727	A	97.3	Very high	96.5	Very high	2 Å²	2	71.8 Å²	71.8	2%	0.017	37%	0.366	C	S	.	.	H	α-helix	trans	-61.4	-28.4	176.9	0	0	0	0	0	112.7	Y725 T729 Y730 Y731 L764 F765 F773	Y725-A727 HydrophobicContact CE1-CB 4.03Å; A727-T729 VanDerWaalsContact C-N 3.34Å; A727-T729 PolarHBondContact O-N 3.49Å; A727-Y730 PolarHBondContact O-N 2.61Å; A727-Y731 PolarHBondContact O-N 3.06Å; A727-Y731 VanDerWaalsContact O-N 3.16Å; A727-L764 WeakPolarHBondContact CB-O 3.2Å; A727-F765 HydrophobicContact CB-CD1 4.4Å; A727-F773 HydrophobicContact CB-CD2 3.72Å; A727-F773 HydrophobicContact CB-CE2 4.02Å
728	M	97.5	Very high	96.6	Very high	69 Å²	69	74.9 Å²	74.9	34%	0.34	38%	0.378	S	S	.	.	H	α-helix	trans	-66.2	-38.8	-176.5	-164.2	61.7	-164.6	0	0	111.7	D726 Y730 Y731 E732 F765	D726-M728 PolarHBondContact O-N 3.32Å; D726-M728 VanDerWaalsContact OD1-CB 3.28Å; D726-M728 WeakPolarHBondContact OD1-CB 3.45Å; D726-M728 PolarHBondContact OD1-N 3.14Å; M728-Y730 VanDerWaalsContact C-N 3.28Å; M728-Y730 PolarHBondContact O-N 2.96Å; M728-Y731 HydrophobicContact CE-CD1 3.43Å; M728-Y731 VanDerWaalsContact CE-CD1 3.43Å; M728-Y731 HydrophobicContact CE-CE1 3.62Å; M728-Y731 PolarHBondContact O-N 3.07Å; M728-Y731 HydrophobicContact SD-CD1 3.74Å; M728-Y731 HydrophobicContact SD-CE1 4.33Å; M728-Y731 HydrophobicContact SD-CG 4.46Å; M728-E732 HydrophobicContact CE-CG 3.68Å; M728-E732 VanDerWaalsContact CE-OE1 3.28Å; M728-E732 WeakPolarHBondContact CE-OE1 3.32Å; M728-E732 HydrophobicContact CG-CG 4.33Å; M728-E732 WeakPolarHBondContact O-CG 3.37Å; M728-E732 PolarHBondContact O-N 3.41Å; M728-F765 HydrophobicContact SD-CD1 4.32Å; M728-F765 HydrophobicContact SD-CE1 4.1Å
729	T	97.1	Very high	96.9	Very high	77 Å²	77	77.3 Å²	77.3	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-53.5	-43.6	174.8	-66.8	0	0	0	0	112.3	D726 A727 K733	D726-T729 PolarHBondContact O-N 3.44Å; D726-T729 PolarHBondContact OD2-N 3.16Å; D726-T729 PolarHBondContact OD2-OG1 2.77Å; A727-T729 VanDerWaalsContact C-N 3.34Å; A727-T729 PolarHBondContact O-N 3.49Å; T729-K733 WeakPolarHBondContact O-CB 3.42Å; T729-K733 PolarHBondContact O-N 2.96Å
730	Y	98.2	Very high	97.1	Very high	56 Å²	56	72.7 Å²	72.7	22%	0.22	36%	0.361	C	S	.	.	H	α-helix	trans	-71.6	-42.4	178.8	-66.9	-87.6	0	0	0	112.1	M720 Y725 D726 A727 M728 E732 K733 I734 F773 A774	M720-Y730 VanDerWaalsContact CE-OH 3.23Å; M720-Y730 WeakPolarHBondContact CE-OH 3.46Å; Y725-Y730 HydrophobicContact CD2-CE2 4.21Å; Y725-Y730 HydrophobicContact CE2-CD2 4.12Å; Y725-Y730 AromaticContact CE2-CE2 3.87Å; Y725-Y730 HydrophobicContact CE2-CE2 3.87Å; D726-Y730 WeakPolarHBondContact O-CD2 3.45Å; A727-Y730 PolarHBondContact O-N 2.61Å; M728-Y730 VanDerWaalsContact C-N 3.28Å; M728-Y730 PolarHBondContact O-N 2.96Å; Y730-E732 VanDerWaalsContact C-N 3.34Å; Y730-E732 PolarHBondContact O-N 3.12Å; Y730-K733 PolarHBondContact O-N 3.42Å; Y730-I734 HydrophobicContact CD1-CD1 4.26Å; Y730-I734 WeakPolarHBondContact O-CB 3.36Å; Y730-I734 WeakPolarHBondContact O-CG1 3.45Å; Y730-I734 PolarHBondContact O-N 3.39Å; Y730-F773 WeakPolarHBondContact CD1-O 3.19Å; Y730-F773 HydrophobicContact CD2-CB 4.42Å; Y730-F773 HydrophobicContact CG-CB 4.09Å; Y730-A774 HydrophobicContact CE1-CB 4.22Å; Y730-A774 HydrophobicContact CE2-CB 4.32Å
731	Y	98.3	Very high	97.2	Very high	26 Å²	26	71.1 Å²	71.1	10%	0.102	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-38.2	178.2	169.3	-91.9	0	0	0	112.7	A727 M728 K738 M741 D742 F765	A727-Y731 PolarHBondContact O-N 3.06Å; A727-Y731 VanDerWaalsContact O-N 3.16Å; M728-Y731 HydrophobicContact CE-CD1 3.43Å; M728-Y731 VanDerWaalsContact CE-CD1 3.43Å; M728-Y731 HydrophobicContact CE-CE1 3.62Å; M728-Y731 PolarHBondContact O-N 3.07Å; M728-Y731 HydrophobicContact SD-CD1 3.74Å; M728-Y731 HydrophobicContact SD-CE1 4.33Å; M728-Y731 HydrophobicContact SD-CG 4.46Å; Y731-K738 HydrophobicContact CD2-CB 4.32Å; Y731-K738 HydrophobicContact CD2-CG 4.35Å; Y731-K738 HydrophobicContact CE1-CD 4.49Å; Y731-K738 HydrophobicContact CE1-CG 4.24Å; Y731-K738 VanDerWaalsContact CE1-NZ 3.32Å; Y731-K738 HydrophobicContact CE2-CB 4.18Å; Y731-K738 HydrophobicContact CE2-CG 3.77Å; Y731-K738 VanDerWaalsContact CZ-NZ 3.28Å; Y731-K738 WeakPolarHBondContact O-CB 3.26Å; Y731-K738 PolarHBondContact OH-NZ 3.47Å; Y731-M741 HydrophobicContact CD2-CB 3.93Å; Y731-M741 HydrophobicContact CD2-CG 4.27Å; Y731-M741 HydrophobicContact CE2-CB 3.8Å; Y731-D742 PolarHBondContact OH-OD1 3.5Å; Y731-F765 HydrophobicContact CD1-CE1 4.17Å; Y731-F765 HydrophobicContact CD1-CZ 4.47Å; Y731-F765 AromaticContact CD2-CE1 3.82Å; Y731-F765 HydrophobicContact CD2-CE1 3.82Å; Y731-F765 AromaticContact CD2-CZ 3.48Å; Y731-F765 HydrophobicContact CD2-CZ 3.48Å; Y731-F765 VanDerWaalsContact CD2-CZ 3.48Å; Y731-F765 HydrophobicContact CE2-CE1 4.46Å; Y731-F765 AromaticContact CE2-CZ 3.84Å; Y731-F765 HydrophobicContact CE2-CZ 3.84Å; Y731-F765 AromaticContact CG-CE1 3.64Å; Y731-F765 HydrophobicContact CG-CE1 3.64Å; Y731-F765 AromaticContact CG-CZ 3.82Å; Y731-F765 HydrophobicContact CG-CZ 3.82Å
732	E	97.8	Very high	97.5	Very high	139 Å²	139	69.5 Å²	69.5	65%	0.65	34%	0.344	S	S	*	.	H	α-helix	trans	-74.4	-34.6	177	-67.4	-175.4	166.2	0	0	112.6	M728 Y730	M728-E732 HydrophobicContact CE-CG 3.68Å; M728-E732 VanDerWaalsContact CE-OE1 3.28Å; M728-E732 WeakPolarHBondContact CE-OE1 3.32Å; M728-E732 HydrophobicContact CG-CG 4.33Å; M728-E732 WeakPolarHBondContact O-CG 3.37Å; M728-E732 PolarHBondContact O-N 3.41Å; Y730-E732 VanDerWaalsContact C-N 3.34Å; Y730-E732 PolarHBondContact O-N 3.12Å
733	K	97.9	Very high	97.6	Very high	152 Å²	152	62.2 Å²	62.2	66%	0.661	31%	0.313	S	S	*	.	H	α-helix	trans	-78.2	-35.7	-175.4	-176.6	-176.4	173.5	-166.9	0	113.4	T729 Y730 P735	T729-K733 WeakPolarHBondContact O-CB 3.42Å; T729-K733 PolarHBondContact O-N 2.96Å; Y730-K733 PolarHBondContact O-N 3.42Å; K733-P735 WeakPolarHBondContact O-CD 3.47Å
734	I	98.4	Very high	97.8	Very high	10 Å²	10	55 Å²	55	5%	0.051	28%	0.281	C	S	.	.			trans	-106.7	103.8	-169.3	-55.2	168	0	0	0	109.8	Y730 E736 L737 K738 F776 E777	Y730-I734 HydrophobicContact CD1-CD1 4.26Å; Y730-I734 WeakPolarHBondContact O-CB 3.36Å; Y730-I734 WeakPolarHBondContact O-CG1 3.45Å; Y730-I734 PolarHBondContact O-N 3.39Å; I734-E736 VanDerWaalsContact C-N 3.33Å; I734-E736 PolarHBondContact O-N 3.19Å; I734-L737 HydrophobicContact CB-CB 3.84Å; I734-L737 HydrophobicContact CD1-CD2 4.33Å; I734-L737 HydrophobicContact CG2-CB 3.77Å; I734-L737 PolarHBondContact O-N 3.12Å; I734-K738 PolarHBondContact O-N 3Å; I734-F776 HydrophobicContact CG2-CD1 4.22Å; I734-F776 HydrophobicContact CG2-CE1 4.19Å; I734-E777 HydrophobicContact CD1-CB 4.19Å
735	P	98.2	Very high	97.9	Very high	91 Å²	91	54.9 Å²	54.9	59%	0.591	28%	0.276	S	S	*	.	H	α-helix	trans	-59.8	-37.9	-175.5	-25.2	35.9	0	0	0	114.2	K733 K738 Q739	K733-P735 WeakPolarHBondContact O-CD 3.47Å; P735-K738 WeakPolarHBondContact O-CB 3.28Å; P735-K738 PolarHBondContact O-N 2.94Å; P735-Q739 PolarHBondContact O-N 3.41Å
736	E	97.9	Very high	98	Very high	89 Å²	89	56.4 Å²	56.4	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-43.9	178.1	-67.5	77.9	-174.8	0	0	111	T584 I734 Q739 V740 F776	T584-E736 HydrophobicContact CG2-CB 4.39Å; T584-E736 HydrophobicContact CG2-CG 4.49Å; I734-E736 VanDerWaalsContact C-N 3.33Å; I734-E736 PolarHBondContact O-N 3.19Å; E736-Q739 PolarHBondContact O-N 3.37Å; E736-V740 WeakPolarHBondContact O-CG2 3.49Å; E736-V740 PolarHBondContact O-N 3.34Å; E736-F776 HydrophobicContact CB-CE1 4.48Å
737	L	98.5	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-44.7	176.1	-179.9	59.9	0	0	0	110.7	L580 I734 Q739 V740 M741 F773 F776	L580-L737 HydrophobicContact CD1-CD1 3.95Å; I734-L737 HydrophobicContact CB-CB 3.84Å; I734-L737 HydrophobicContact CD1-CD2 4.33Å; I734-L737 HydrophobicContact CG2-CB 3.77Å; I734-L737 PolarHBondContact O-N 3.12Å; L737-Q739 VanDerWaalsContact C-N 3.33Å; L737-Q739 PolarHBondContact O-N 3.01Å; L737-V740 PolarHBondContact O-N 2.76Å; L737-M741 HydrophobicContact CD1-CG 4.06Å; L737-M741 HydrophobicContact CG-CG 4.41Å; L737-M741 WeakPolarHBondContact O-CB 3.22Å; L737-M741 WeakPolarHBondContact O-CG 3.33Å; L737-M741 PolarHBondContact O-N 3.46Å; L737-F773 HydrophobicContact CD1-CD1 3.78Å; L737-F773 HydrophobicContact CD1-CE1 3.84Å; L737-F773 HydrophobicContact CD1-CG 4.4Å; L737-F773 HydrophobicContact CD1-CZ 4.49Å; L737-F773 HydrophobicContact CD2-CB 3.87Å; L737-F773 HydrophobicContact CD2-CD1 3.98Å; L737-F773 HydrophobicContact CD2-CD2 4.07Å; L737-F773 HydrophobicContact CD2-CG 3.73Å; L737-F773 HydrophobicContact CG-CD1 4.43Å; L737-F776 HydrophobicContact CB-CD1 3.82Å; L737-F776 HydrophobicContact CB-CE1 3.65Å; L737-F776 HydrophobicContact CB-CZ 4.38Å; L737-F776 HydrophobicContact CD1-CD1 4.06Å; L737-F776 HydrophobicContact CD1-CD2 4.27Å; L737-F776 HydrophobicContact CD1-CE1 4.16Å; L737-F776 HydrophobicContact CD1-CE2 4.38Å; L737-F776 HydrophobicContact CD1-CG 4.1Å; L737-F776 HydrophobicContact CD1-CZ 4.3Å; L737-F776 HydrophobicContact CD2-CD1 4.41Å; L737-F776 HydrophobicContact CG-CD1 4.31Å; L737-F776 HydrophobicContact CG-CE1 4.44Å
738	K	98.6	Very high	98.1	Very high	81 Å²	81	57 Å²	57	35%	0.352	29%	0.294	S	S	.	.	H	α-helix	trans	-54.9	-50.2	175.9	-175.8	172	176.3	63.5	0	111.3	Y731 I734 P735 V740 M741 D742	Y731-K738 HydrophobicContact CD2-CB 4.32Å; Y731-K738 HydrophobicContact CD2-CG 4.35Å; Y731-K738 HydrophobicContact CE1-CD 4.49Å; Y731-K738 HydrophobicContact CE1-CG 4.24Å; Y731-K738 VanDerWaalsContact CE1-NZ 3.32Å; Y731-K738 HydrophobicContact CE2-CB 4.18Å; Y731-K738 HydrophobicContact CE2-CG 3.77Å; Y731-K738 VanDerWaalsContact CZ-NZ 3.28Å; Y731-K738 WeakPolarHBondContact O-CB 3.26Å; Y731-K738 PolarHBondContact OH-NZ 3.47Å; I734-K738 PolarHBondContact O-N 3Å; P735-K738 WeakPolarHBondContact O-CB 3.28Å; P735-K738 PolarHBondContact O-N 2.94Å; K738-V740 PolarHBondContact O-N 2.99Å; K738-M741 PolarHBondContact O-N 3.31Å; K738-D742 IonicContact NZ-OD2 3.57Å; K738-D742 WeakPolarHBondContact O-CB 3.31Å; K738-D742 PolarHBondContact O-N 3.26Å
739	Q	98.6	Very high	98.1	Very high	92 Å²	92	54 Å²	54	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-46.1	179.2	-177.6	-179.6	4.6	0	0	112	P735 E736 L737 D742 Q743	P735-Q739 PolarHBondContact O-N 3.41Å; E736-Q739 PolarHBondContact O-N 3.37Å; L737-Q739 VanDerWaalsContact C-N 3.33Å; L737-Q739 PolarHBondContact O-N 3.01Å; Q739-D742 PolarHBondContact O-N 3.37Å; Q739-Q743 WeakPolarHBondContact O-CG 3.29Å; Q739-Q743 PolarHBondContact O-N 3.3Å
740	V	98.5	Very high	98.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-49.3	178.4	171.7	0	0	0	0	110.6	L580 I583 T584 E736 L737 K738 D742 Q743 I744	L580-V740 HydrophobicContact CB-CG1 4.19Å; L580-V740 HydrophobicContact CD2-CG1 3.63Å; L580-V740 HydrophobicContact CG-CG1 4.43Å; I583-V740 HydrophobicContact CB-CG1 3.95Å; I583-V740 HydrophobicContact CB-CG2 4.1Å; I583-V740 HydrophobicContact CD1-CG1 3.83Å; I583-V740 HydrophobicContact CG2-CB 4.19Å; I583-V740 HydrophobicContact CG2-CG1 3.92Å; I583-V740 HydrophobicContact CG2-CG2 3.8Å; T584-V740 WeakPolarHBondContact OG1-CG2 3.49Å; E736-V740 WeakPolarHBondContact O-CG2 3.49Å; E736-V740 PolarHBondContact O-N 3.34Å; L737-V740 PolarHBondContact O-N 2.76Å; K738-V740 PolarHBondContact O-N 2.99Å; V740-D742 PolarHBondContact O-N 3.4Å; V740-Q743 PolarHBondContact O-N 3.1Å; V740-I744 HydrophobicContact CG1-CD1 4.07Å; V740-I744 WeakPolarHBondContact O-CG1 3.45Å; V740-I744 PolarHBondContact O-N 3.07Å
741	M	98.5	Very high	98	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-37.7	-178.4	-68.7	-50.3	-55.9	0	0	112.3	L580 Y731 L737 K738 Q743 I744 A745 T761 L764 F765 F773	L580-M741 HydrophobicContact CD2-SD 4.12Å; Y731-M741 HydrophobicContact CD2-CB 3.93Å; Y731-M741 HydrophobicContact CD2-CG 4.27Å; Y731-M741 HydrophobicContact CE2-CB 3.8Å; L737-M741 HydrophobicContact CD1-CG 4.06Å; L737-M741 HydrophobicContact CG-CG 4.41Å; L737-M741 WeakPolarHBondContact O-CB 3.22Å; L737-M741 WeakPolarHBondContact O-CG 3.33Å; L737-M741 PolarHBondContact O-N 3.46Å; K738-M741 PolarHBondContact O-N 3.31Å; M741-Q743 VanDerWaalsContact C-N 3.34Å; M741-Q743 PolarHBondContact O-N 2.93Å; M741-I744 PolarHBondContact O-N 3.31Å; M741-I744 HydrophobicContact SD-CD1 4.28Å; M741-A745 VanDerWaalsContact O-CB 3.3Å; M741-A745 WeakPolarHBondContact O-CB 3.37Å; M741-A745 PolarHBondContact O-N 3.17Å; M741-T761 HydrophobicContact CE-CG2 3.86Å; M741-L764 HydrophobicContact CE-CD1 3.77Å; M741-L764 HydrophobicContact SD-CD1 4.07Å; M741-F765 HydrophobicContact CB-CZ 4.32Å; M741-F765 HydrophobicContact CE-CE2 3.82Å; M741-F765 HydrophobicContact CE-CZ 4.47Å; M741-F765 HydrophobicContact CG-CZ 4.44Å; M741-F773 HydrophobicContact CE-CZ 3.95Å; M741-F773 HydrophobicContact CG-CE1 4.18Å; M741-F773 HydrophobicContact CG-CZ 3.78Å; M741-F773 HydrophobicContact SD-CE1 3.79Å; M741-F773 HydrophobicContact SD-CZ 3.67Å
742	D	98.5	Very high	97.9	Very high	63 Å²	63	61.8 Å²	61.8	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-37.1	175.6	-71.6	-10.6	0	0	0	111.5	Y731 K738 Q739 V740 S746	Y731-D742 PolarHBondContact OH-OD1 3.5Å; K738-D742 IonicContact NZ-OD2 3.57Å; K738-D742 WeakPolarHBondContact O-CB 3.31Å; K738-D742 PolarHBondContact O-N 3.26Å; Q739-D742 PolarHBondContact O-N 3.37Å; V740-D742 PolarHBondContact O-N 3.4Å; D742-S746 WeakPolarHBondContact O-CB 3.38Å; D742-S746 PolarHBondContact O-N 2.96Å; D742-S746 PolarHBondContact O-OG 2.92Å
743	Q	98.6	Very high	97.8	Very high	26 Å²	26	59 Å²	59	12%	0.121	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-44.3	173.9	-76.2	172.1	-38.5	0	0	112.2	N587 Q739 V740 M741 S746 G747 F748 F749	N587-Q743 PolarHBondContact ND2-OE1 3.45Å; N587-Q743 PolarHBondContact OD1-NE2 3.41Å; N587-Q743 PolarHBondContact OD1-OE1 2.93Å; Q739-Q743 WeakPolarHBondContact O-CG 3.29Å; Q739-Q743 PolarHBondContact O-N 3.3Å; V740-Q743 PolarHBondContact O-N 3.1Å; M741-Q743 VanDerWaalsContact C-N 3.34Å; M741-Q743 PolarHBondContact O-N 2.93Å; Q743-S746 PolarHBondContact O-OG 3.43Å; Q743-G747 PolarHBondContact O-N 3.14Å; Q743-F748 HydrophobicContact CB-CB 3.95Å; Q743-F748 HydrophobicContact CB-CD1 4.36Å; Q743-F748 HydrophobicContact CB-CG 4.29Å; Q743-F748 HydrophobicContact CG-CB 4.34Å; Q743-F748 HydrophobicContact CG-CD1 4.44Å; Q743-F748 HydrophobicContact CG-CG 4.28Å; Q743-F748 WeakPolarHBondContact O-CB 3.24Å; Q743-F748 PolarHBondContact O-N 2.9Å; Q743-F749 HydrophobicContact CB-CE2 3.9Å
744	I	98.3	Very high	97.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-46.4	176.9	-64.5	168.8	0	0	0	110.1	L580 I583 L621 V740 M741 G747 F749 F757 T761	L580-I744 HydrophobicContact CD2-CD1 3.86Å; I583-I744 HydrophobicContact CD1-CD1 3.84Å; I583-I744 HydrophobicContact CD1-CG1 4.05Å; L621-I744 HydrophobicContact CD1-CG1 4.39Å; L621-I744 HydrophobicContact CD1-CG2 4.41Å; L621-I744 HydrophobicContact CD2-CD1 4.35Å; V740-I744 HydrophobicContact CG1-CD1 4.07Å; V740-I744 WeakPolarHBondContact O-CG1 3.45Å; V740-I744 PolarHBondContact O-N 3.07Å; M741-I744 PolarHBondContact O-N 3.31Å; M741-I744 HydrophobicContact SD-CD1 4.28Å; I744-G747 PolarHBondContact O-N 2.91Å; I744-F749 HydrophobicContact CG1-CD2 4.1Å; I744-F749 HydrophobicContact CG1-CE2 4.31Å; I744-F757 HydrophobicContact CG2-CB 3.69Å; I744-F757 HydrophobicContact CG2-CD2 4.34Å; I744-F757 HydrophobicContact CG2-CG 4.24Å; I744-T761 HydrophobicContact CB-CG2 4.46Å; I744-T761 HydrophobicContact CG2-CG2 3.73Å
745	A	97.3	Very high	97.7	Very high	50 Å²	50	59.6 Å²	59.6	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-70.7	-33.5	-177	0	0	0	0	0	113.8	M741 G747 T761	M741-A745 VanDerWaalsContact O-CB 3.3Å; M741-A745 WeakPolarHBondContact O-CB 3.37Å; M741-A745 PolarHBondContact O-N 3.17Å; A745-G747 PolarHBondContact O-N 3.41Å; A745-T761 HydrophobicContact CB-CG2 4.42Å
746	S	97.2	Very high	97.7	Very high	82 Å²	82	57 Å²	57	57%	0.573	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.5	179.8	59.2	0	0	0	0	114.2	D742 Q743	D742-S746 WeakPolarHBondContact O-CB 3.38Å; D742-S746 PolarHBondContact O-N 2.96Å; D742-S746 PolarHBondContact O-OG 2.92Å; Q743-S746 PolarHBondContact O-OG 3.43Å
747	G	97.3	Very high	97.7	Very high	5 Å²	5	52.8 Å²	52.8	5%	0.052	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	17.6	-178.5	0	0	0	0	0	114.9	Q743 I744 A745 F749 S750 P751	Q743-G747 PolarHBondContact O-N 3.14Å; I744-G747 PolarHBondContact O-N 2.91Å; A745-G747 PolarHBondContact O-N 3.41Å; G747-F749 PolarHBondContact O-N 3.34Å; G747-S750 CarbonylContact O-C 3.58Å; G747-S750 PolarHBondContact O-N 2.9Å; G747-P751 WeakPolarHBondContact O-CA 3.47Å; G747-P751 VanDerWaalsContact O-N 3.1Å
748	F	98.3	Very high	97.6	Very high	87 Å²	87	57.7 Å²	57.7	38%	0.382	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-40	178	-177.8	-96	0	0	0	112.2	Y586 V628 Q743	Y586-F748 AromaticContact CE1-CE1 3.87Å; Y586-F748 HydrophobicContact CE1-CE1 3.87Å; Y586-F748 HydrophobicContact CE1-CZ 4.05Å; V628-F748 HydrophobicContact CG1-CE1 3.96Å; V628-F748 HydrophobicContact CG1-CZ 4.45Å; Q743-F748 HydrophobicContact CB-CB 3.95Å; Q743-F748 HydrophobicContact CB-CD1 4.36Å; Q743-F748 HydrophobicContact CB-CG 4.29Å; Q743-F748 HydrophobicContact CG-CB 4.34Å; Q743-F748 HydrophobicContact CG-CD1 4.44Å; Q743-F748 HydrophobicContact CG-CG 4.28Å; Q743-F748 WeakPolarHBondContact O-CB 3.24Å; Q743-F748 PolarHBondContact O-N 2.9Å
749	F	98.2	Very high	97.5	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.022	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.7	176.8	-60.4	-71.1	0	0	0	113.9	I583 S624 V625 V628 Q743 I744 G747 F757	I583-F749 HydrophobicContact CB-CZ 4.36Å; I583-F749 HydrophobicContact CD1-CD2 4.43Å; I583-F749 HydrophobicContact CD1-CE2 3.76Å; I583-F749 HydrophobicContact CD1-CZ 4.08Å; I583-F749 HydrophobicContact CG1-CE2 3.99Å; I583-F749 HydrophobicContact CG1-CZ 3.77Å; I583-F749 HydrophobicContact CG2-CE2 3.93Å; I583-F749 HydrophobicContact CG2-CZ 3.71Å; S624-F749 VanDerWaalsContact CB-O 3.3Å; S624-F749 WeakPolarHBondContact CB-O 3.29Å; S624-F749 PolarHBondContact OG-O 3.28Å; V625-F749 HydrophobicContact CB-CD1 4.33Å; V625-F749 HydrophobicContact CB-CE1 4.44Å; V625-F749 HydrophobicContact CG1-CE1 4.38Å; V625-F749 HydrophobicContact CG2-CD1 3.83Å; V625-F749 HydrophobicContact CG2-CD2 4.3Å; V625-F749 HydrophobicContact CG2-CE1 4.03Å; V625-F749 HydrophobicContact CG2-CE2 4.47Å; V625-F749 HydrophobicContact CG2-CG 3.98Å; V625-F749 HydrophobicContact CG2-CZ 4.36Å; V628-F749 HydrophobicContact CB-CD1 4Å; V628-F749 HydrophobicContact CB-CE1 4.12Å; V628-F749 HydrophobicContact CG1-CD1 4.42Å; V628-F749 HydrophobicContact CG1-CE1 4.17Å; V628-F749 HydrophobicContact CG2-CD1 3.78Å; V628-F749 HydrophobicContact CG2-CE1 4.35Å; Q743-F749 HydrophobicContact CB-CE2 3.9Å; I744-F749 HydrophobicContact CG1-CD2 4.1Å; I744-F749 HydrophobicContact CG1-CE2 4.31Å; G747-F749 PolarHBondContact O-N 3.34Å; F749-F757 HydrophobicContact CB-CE2 4.33Å
750	S	97.4	Very high	97.4	Very high	7 Å²	7	53.4 Å²	53.4	5%	0.049	29%	0.285	C	S	.	.			trans	-146.8	57.5	180	58.2	0	0	0	0	111.8	G747 K752 N753	G747-S750 CarbonylContact O-C 3.58Å; G747-S750 PolarHBondContact O-N 2.9Å; S750-K752 PolarHBondContact O-N 3.5Å; S750-N753 VanDerWaalsContact CB-O 3.31Å; S750-N753 WeakPolarHBondContact CB-O 3.43Å; S750-N753 CarbonylContact O-C 3.59Å; S750-N753 WeakPolarHBondContact O-CA 3.46Å; S750-N753 PolarHBondContact O-N 3.35Å; S750-N753 PolarHBondContact OG-O 2.98Å
751	P	96.4	Very high	97.4	Very high	105 Å²	105	54 Å²	54	68%	0.682	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-26	-169	22.9	-34.8	0	0	0	114.2	G747	G747-P751 WeakPolarHBondContact O-CA 3.47Å; G747-P751 VanDerWaalsContact O-N 3.1Å
752	K	96.3	Very high	97.3	Very high	212 Å²	212	56.3 Å²	56.3	92%	0.922	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.4	175.8	-62.8	-177	-178.2	176.8	0	113.5	S750	S750-K752 PolarHBondContact O-N 3.5Å
753	N	96.1	Very high	97.2	Very high	81 Å²	81	54 Å²	54	43%	0.433	29%	0.289	S	S	.	.			trans	-144.9	82.6	178.1	-176.2	6.5	0	0	0	109.1	S750 E755 L756	S750-N753 VanDerWaalsContact CB-O 3.31Å; S750-N753 WeakPolarHBondContact CB-O 3.43Å; S750-N753 CarbonylContact O-C 3.59Å; S750-N753 WeakPolarHBondContact O-CA 3.46Å; S750-N753 PolarHBondContact O-N 3.35Å; S750-N753 PolarHBondContact OG-O 2.98Å; N753-E755 PolarHBondContact O-N 2.84Å; N753-L756 HydrophobicContact CB-CB 4.21Å; N753-L756 WeakPolarHBondContact O-CB 3.46Å; N753-L756 PolarHBondContact O-N 3.5Å
754	P	96.3	Very high	97.2	Very high	59 Å²	59	52.8 Å²	52.8	38%	0.383	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.6	-174.1	-28.9	37.1	0	0	0	114.4	L756	P754-L756 VanDerWaalsContact C-N 3.28Å; P754-L756 PolarHBondContact O-N 2.76Å
755	E	96.6	Very high	97.1	Very high	115 Å²	115	55.5 Å²	55.5	54%	0.537	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	2.8	-180	-62.5	-68.5	128.5	0	0	113.5	N753 F757 K758	N753-E755 PolarHBondContact O-N 2.84Å; E755-F757 PolarHBondContact O-N 3.05Å; E755-F757 VanDerWaalsContact O-N 3.13Å; E755-K758 VanDerWaalsContact O-CB 3.23Å; E755-K758 WeakPolarHBondContact O-CB 3.46Å; E755-K758 PolarHBondContact O-N 2.91Å; E755-K758 VanDerWaalsContact O-N 3.08Å; E755-K758 WeakPolarHBondContact OE2-CD 3.41Å; E755-K758 IonicContact OE2-NZ 3.72Å
756	L	97.6	Very high	97.1	Very high	35 Å²	35	59.5 Å²	59.5	18%	0.183	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-40.5	-173.2	177.1	61	0	0	0	113	W175 M617 K620 N753 P754	W175-L756 HydrophobicContact CH2-CD1 4.27Å; W175-L756 HydrophobicContact CZ2-CD1 3.85Å; M617-L756 HydrophobicContact CE-CD1 4.45Å; M617-L756 WeakPolarHBondContact CE-O 3.44Å; K620-L756 HydrophobicContact CG-CD2 4.19Å; N753-L756 HydrophobicContact CB-CB 4.21Å; N753-L756 WeakPolarHBondContact O-CB 3.46Å; N753-L756 PolarHBondContact O-N 3.5Å; P754-L756 VanDerWaalsContact C-N 3.28Å; P754-L756 PolarHBondContact O-N 2.76Å
757	F	98.3	Very high	97	Very high	1 Å²	1	63.6 Å²	63.6	0%	0.004	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	14.1	-175.2	-60.6	-61.1	0	0	0	114.1	M617 K620 L621 I744 F749 E755 D759 L760 T761	M617-F757 HydrophobicContact CE-CD1 3.8Å; M617-F757 HydrophobicContact CE-CE1 4.24Å; K620-F757 HydrophobicContact CB-CE1 4.38Å; K620-F757 HydrophobicContact CG-CE1 4.01Å; K620-F757 HydrophobicContact CG-CZ 4.2Å; L621-F757 HydrophobicContact CB-CD1 4.14Å; L621-F757 HydrophobicContact CB-CE1 3.7Å; L621-F757 HydrophobicContact CB-CZ 4.15Å; L621-F757 HydrophobicContact CD1-CD1 4.13Å; L621-F757 HydrophobicContact CD1-CD2 4Å; L621-F757 HydrophobicContact CD1-CE1 4.02Å; L621-F757 HydrophobicContact CD1-CE2 3.85Å; L621-F757 HydrophobicContact CD1-CG 4.14Å; L621-F757 HydrophobicContact CD1-CZ 3.87Å; L621-F757 HydrophobicContact CG-CE1 4.47Å; I744-F757 HydrophobicContact CG2-CB 3.69Å; I744-F757 HydrophobicContact CG2-CD2 4.34Å; I744-F757 HydrophobicContact CG2-CG 4.24Å; F749-F757 HydrophobicContact CB-CE2 4.33Å; E755-F757 PolarHBondContact O-N 3.05Å; E755-F757 VanDerWaalsContact O-N 3.13Å; F757-D759 VanDerWaalsContact C-N 3.33Å; F757-D759 PolarHBondContact O-N 3.22Å; F757-L760 HydrophobicContact CD1-CD1 4.44Å; F757-L760 WeakPolarHBondContact O-CB 3.38Å; F757-L760 PolarHBondContact O-N 3.23Å; F757-L760 VanDerWaalsContact O-N 3.14Å; F757-T761 PolarHBondContact O-N 3.37Å; F757-T761 PolarHBondContact O-OG1 3.02Å
758	K	97.4	Very high	97	Very high	104 Å²	104	63.8 Å²	63.8	45%	0.452	31%	0.307	S	S	.	.	H	α-helix	trans	-57.8	-40.4	-178.7	-178.2	-175.9	-170.6	161.8	0	113.8	E755 L760 T761 N762	E755-K758 VanDerWaalsContact O-CB 3.23Å; E755-K758 WeakPolarHBondContact O-CB 3.46Å; E755-K758 PolarHBondContact O-N 2.91Å; E755-K758 VanDerWaalsContact O-N 3.08Å; E755-K758 WeakPolarHBondContact OE2-CD 3.41Å; E755-K758 IonicContact OE2-NZ 3.72Å; K758-L760 VanDerWaalsContact C-N 3.29Å; K758-L760 PolarHBondContact O-N 3.17Å; K758-T761 WeakPolarHBondContact CA-OG1 3.46Å; K758-T761 PolarHBondContact O-N 3.35Å; K758-T761 PolarHBondContact O-OG1 3.47Å; K758-N762 VanDerWaalsContact O-CB 3.25Å; K758-N762 WeakPolarHBondContact O-CB 3.46Å; K758-N762 VanDerWaalsContact O-CG 3.26Å; K758-N762 PolarHBondContact O-N 2.98Å; K758-N762 PolarHBondContact O-ND2 3.1Å; K758-N762 VanDerWaalsContact O-ND2 3.17Å
759	D	96.8	Very high	96.8	Very high	82 Å²	82	66.1 Å²	66.1	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-40	178.8	-69.2	-11.7	0	0	0	111.2	H613 F757 M763	H613-D759 IonicContact CD2-OD2 2.84Å; H613-D759 IonicContact NE2-OD2 3.53Å; H613-D759 PolarHBondContact NE2-OD2 3.36Å; F757-D759 VanDerWaalsContact C-N 3.33Å; F757-D759 PolarHBondContact O-N 3.22Å; D759-M763 WeakPolarHBondContact O-CB 3.46Å; D759-M763 PolarHBondContact O-N 3.19Å
760	L	96.5	Very high	96.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.9	-45.2	179.7	-173.5	161.9	0	0	0	110.8	L576 M614 M617 L621 F757 K758 M763 L764	L576-L760 HydrophobicContact CD2-CD1 3.86Å; L576-L760 HydrophobicContact CD2-CD2 3.99Å; L576-L760 HydrophobicContact CD2-CG 4.14Å; M614-L760 HydrophobicContact SD-CB 4.15Å; M614-L760 HydrophobicContact SD-CG 4.26Å; M617-L760 HydrophobicContact CB-CD1 4.48Å; L621-L760 HydrophobicContact CB-CD1 4.12Å; L621-L760 HydrophobicContact CD2-CD1 3.73Å; L621-L760 HydrophobicContact CD2-CD2 4.15Å; F757-L760 HydrophobicContact CD1-CD1 4.44Å; F757-L760 WeakPolarHBondContact O-CB 3.38Å; F757-L760 PolarHBondContact O-N 3.23Å; F757-L760 VanDerWaalsContact O-N 3.14Å; K758-L760 VanDerWaalsContact C-N 3.29Å; K758-L760 PolarHBondContact O-N 3.17Å; L760-M763 PolarHBondContact O-N 3.28Å; L760-L764 HydrophobicContact CD2-CD1 3.66Å; L760-L764 HydrophobicContact CD2-CG 4.39Å; L760-L764 WeakPolarHBondContact O-CG 3.16Å; L760-L764 PolarHBondContact O-N 2.83Å
761	T	96.9	Very high	96.8	Very high	13 Å²	13	66.2 Å²	66.2	8%	0.08	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-43.9	175.4	59	0	0	0	0	111.2	M741 I744 A745 F757 K758 M763 L764 F765	M741-T761 HydrophobicContact CE-CG2 3.86Å; I744-T761 HydrophobicContact CB-CG2 4.46Å; I744-T761 HydrophobicContact CG2-CG2 3.73Å; A745-T761 HydrophobicContact CB-CG2 4.42Å; F757-T761 PolarHBondContact O-N 3.37Å; F757-T761 PolarHBondContact O-OG1 3.02Å; K758-T761 WeakPolarHBondContact CA-OG1 3.46Å; K758-T761 PolarHBondContact O-N 3.35Å; K758-T761 PolarHBondContact O-OG1 3.47Å; T761-M763 VanDerWaalsContact C-N 3.31Å; T761-M763 PolarHBondContact O-N 3.41Å; T761-L764 PolarHBondContact O-N 2.99Å; T761-F765 WeakPolarHBondContact O-CD2 3.4Å; T761-F765 PolarHBondContact O-N 2.77Å
762	N	97.1	Very high	96.9	Very high	51 Å²	51	61.3 Å²	61.3	27%	0.273	28%	0.281	S	S	.	.	H	α-helix	trans	-58.2	-42.3	174.9	-80.8	-35.8	0	0	0	112.4	K758 F765 K766	K758-N762 VanDerWaalsContact O-CB 3.25Å; K758-N762 WeakPolarHBondContact O-CB 3.46Å; K758-N762 VanDerWaalsContact O-CG 3.26Å; K758-N762 PolarHBondContact O-N 2.98Å; K758-N762 PolarHBondContact O-ND2 3.1Å; K758-N762 VanDerWaalsContact O-ND2 3.17Å; N762-F765 PolarHBondContact O-N 2.96Å; N762-K766 VanDerWaalsContact O-CB 3.32Å; N762-K766 WeakPolarHBondContact O-CB 3.43Å; N762-K766 PolarHBondContact O-N 3.34Å
763	M	97.4	Very high	97	Very high	15 Å²	15	51.2 Å²	51.2	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-51.9	174.7	-179.6	-79.2	-74.5	0	0	110.4	E571 L576 M614 D759 L760 T761 F765 K766 Y767 D768	E571-M763 HydrophobicContact CG-CE 4.39Å; L576-M763 HydrophobicContact CD1-CE 3.66Å; M614-M763 HydrophobicContact CE-CB 3.64Å; M614-M763 HydrophobicContact CE-CE 4.46Å; M614-M763 HydrophobicContact CE-CG 3.99Å; M614-M763 HydrophobicContact CG-CE 4.15Å; M614-M763 HydrophobicContact SD-CE 4.02Å; D759-M763 WeakPolarHBondContact O-CB 3.46Å; D759-M763 PolarHBondContact O-N 3.19Å; L760-M763 PolarHBondContact O-N 3.28Å; T761-M763 VanDerWaalsContact C-N 3.31Å; T761-M763 PolarHBondContact O-N 3.41Å; M763-F765 VanDerWaalsContact C-N 3.29Å; M763-F765 PolarHBondContact O-N 2.94Å; M763-K766 PolarHBondContact O-N 3.14Å; M763-Y767 CarbonylContact O-C 3.6Å; M763-Y767 PolarHBondContact O-N 3.23Å; M763-D768 PolarHBondContact O-N 3.32Å; M763-D768 HydrophobicContact SD-CB 4.1Å
764	L	97.6	Very high	97.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.9	-39.1	-179.7	-75.5	172.4	0	0	0	113.4	L576 A727 M741 L760 T761 D768 V772 F773	L576-L764 HydrophobicContact CD1-CD2 4.31Å; A727-L764 WeakPolarHBondContact CB-O 3.2Å; M741-L764 HydrophobicContact CE-CD1 3.77Å; M741-L764 HydrophobicContact SD-CD1 4.07Å; L760-L764 HydrophobicContact CD2-CD1 3.66Å; L760-L764 HydrophobicContact CD2-CG 4.39Å; L760-L764 WeakPolarHBondContact O-CG 3.16Å; L760-L764 PolarHBondContact O-N 2.83Å; T761-L764 PolarHBondContact O-N 2.99Å; L764-D768 WeakPolarHBondContact O-CB 3.38Å; L764-V772 HydrophobicContact CD2-CB 3.8Å; L764-V772 HydrophobicContact CD2-CG1 4.11Å; L764-V772 HydrophobicContact CD2-CG2 3.89Å; L764-F773 HydrophobicContact CB-CE1 4.22Å; L764-F773 HydrophobicContact CB-CE2 4.47Å; L764-F773 HydrophobicContact CB-CZ 3.8Å; L764-F773 HydrophobicContact CD1-CE1 4.11Å; L764-F773 HydrophobicContact CD1-CZ 4.26Å; L764-F773 HydrophobicContact CD2-CE1 4.2Å; L764-F773 HydrophobicContact CG-CE1 4.42Å; L764-F773 HydrophobicContact CG-CZ 4.46Å
765	F	97.3	Very high	97.2	Very high	56 Å²	56	45.6 Å²	45.6	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-83.8	-29.5	-177.9	-79.7	-73.9	0	0	0	114.8	A727 M728 Y731 M741 T761 N762 M763 F773	A727-F765 HydrophobicContact CB-CD1 4.4Å; M728-F765 HydrophobicContact SD-CD1 4.32Å; M728-F765 HydrophobicContact SD-CE1 4.1Å; Y731-F765 HydrophobicContact CD1-CE1 4.17Å; Y731-F765 HydrophobicContact CD1-CZ 4.47Å; Y731-F765 AromaticContact CD2-CE1 3.82Å; Y731-F765 HydrophobicContact CD2-CE1 3.82Å; Y731-F765 AromaticContact CD2-CZ 3.48Å; Y731-F765 HydrophobicContact CD2-CZ 3.48Å; Y731-F765 VanDerWaalsContact CD2-CZ 3.48Å; Y731-F765 HydrophobicContact CE2-CE1 4.46Å; Y731-F765 AromaticContact CE2-CZ 3.84Å; Y731-F765 HydrophobicContact CE2-CZ 3.84Å; Y731-F765 AromaticContact CG-CE1 3.64Å; Y731-F765 HydrophobicContact CG-CE1 3.64Å; Y731-F765 AromaticContact CG-CZ 3.82Å; Y731-F765 HydrophobicContact CG-CZ 3.82Å; M741-F765 HydrophobicContact CB-CZ 4.32Å; M741-F765 HydrophobicContact CE-CE2 3.82Å; M741-F765 HydrophobicContact CE-CZ 4.47Å; M741-F765 HydrophobicContact CG-CZ 4.44Å; T761-F765 WeakPolarHBondContact O-CD2 3.4Å; T761-F765 PolarHBondContact O-N 2.77Å; N762-F765 PolarHBondContact O-N 2.96Å; M763-F765 VanDerWaalsContact C-N 3.29Å; M763-F765 PolarHBondContact O-N 2.94Å; F765-F773 HydrophobicContact CD1-CE2 4.21Å; F765-F773 AromaticContact CE1-CE2 3.99Å; F765-F773 HydrophobicContact CE1-CE2 3.99Å; F765-F773 HydrophobicContact CZ-CE2 4.22Å; F765-F773 HydrophobicContact CZ-CZ 4.49Å
766	K	95.3	Very high	97.3	Very high	135 Å²	135	40.1 Å²	40.1	59%	0.587	18%	0.181	S	C	*	.	H	α-helix	trans	-119.2	-28.8	-167.6	-60.4	-177.9	179.9	177.8	0	114.8	N762 M763	N762-K766 VanDerWaalsContact O-CB 3.32Å; N762-K766 WeakPolarHBondContact O-CB 3.43Å; N762-K766 PolarHBondContact O-N 3.34Å; M763-K766 PolarHBondContact O-N 3.14Å
767	Y	95.9	Very high	97.4	Very high	167 Å²	167	42.3 Å²	42.3	66%	0.655	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.8	16.6	-166.2	-52.1	-64.6	0	0	0	113.1	M763 R769	M763-Y767 CarbonylContact O-C 3.6Å; M763-Y767 PolarHBondContact O-N 3.23Å; Y767-R769 PolarHBondContact O-N 3.35Å
768	D	96.9	Very high	97.4	Very high	9 Å²	9	45.3 Å²	45.3	5%	0.048	21%	0.207	C	C	.	.			trans	-71.8	95.7	-177.1	172	23.5	0	0	0	111.3	Y725 M763 L764 F770 K771 V772	Y725-D768 HydrophobicContact CE1-CB 3.96Å; Y725-D768 PolarHBondContact OH-OD2 3.11Å; M763-D768 PolarHBondContact O-N 3.32Å; M763-D768 HydrophobicContact SD-CB 4.1Å; L764-D768 WeakPolarHBondContact O-CB 3.38Å; D768-F770 PolarHBondContact O-N 2.91Å; D768-F770 WeakPolarHBondContact OD1-CA 3.31Å; D768-F770 PolarHBondContact OD1-N 3.15Å; D768-K771 VanDerWaalsContact CG-N 3.3Å; D768-K771 PolarHBondContact OD1-N 3.41Å; D768-K771 VanDerWaalsContact OD2-CA 3.29Å; D768-K771 WeakPolarHBondContact OD2-CA 3.42Å; D768-K771 PolarHBondContact OD2-N 2.95Å; D768-V772 PolarHBondContact OD2-N 2.75Å
769	R	95.1	Very high	97.4	Very high	137 Å²	137	40.4 Å²	40.4	52%	0.517	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.1	176.6	-64.7	173.1	66	-158.1	-1.3	112.5	E381 Y767	E381-R769 VanDerWaalsContact CD-NH2 3.34Å; E381-R769 IonicContact OE1-CZ 2.72Å; E381-R769 VanDerWaalsContact OE1-CZ 3.26Å; E381-R769 IonicContact OE1-NH1 3.47Å; E381-R769 PolarHBondContact OE1-NH1 2.89Å; E381-R769 IonicContact OE1-NH2 3.12Å; E381-R769 PolarHBondContact OE1-NH2 3.39Å; E381-R769 IonicContact OE2-CZ 3.44Å; E381-R769 IonicContact OE2-NH1 3.41Å; E381-R769 IonicContact OE2-NH2 3.36Å; E381-R769 PolarHBondContact OE2-NH2 3.13Å; Y767-R769 PolarHBondContact O-N 3.35Å
770	F	96.9	Very high	97.5	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.035	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	4.7	-166.9	-57.3	-64	0	0	0	113.4	E571 Y572 T667 T670 D768 V772	E571-F770 HydrophobicContact CB-CD2 3.48Å; E571-F770 VanDerWaalsContact CB-CD2 3.48Å; E571-F770 HydrophobicContact CB-CE2 3.44Å; E571-F770 VanDerWaalsContact CB-CE2 3.44Å; Y572-F770 VanDerWaalsContact CB-CD1 3.47Å; T667-F770 WeakPolarHBondContact OG1-CB 3.25Å; T667-F770 PolarHBondContact OG1-O 3.02Å; T670-F770 HydrophobicContact CG2-CD1 4.3Å; T670-F770 HydrophobicContact CG2-CE1 4.33Å; D768-F770 PolarHBondContact O-N 2.91Å; D768-F770 WeakPolarHBondContact OD1-CA 3.31Å; D768-F770 PolarHBondContact OD1-N 3.15Å; F770-V772 VanDerWaalsContact C-N 3.34Å; F770-V772 PolarHBondContact O-N 2.85Å
771	K	98.1	Very high	97.6	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.026	19%	0.19	C	C	.	.			trans	55.6	46.2	165.8	-54	168.6	174.2	74.5	0	112	M712 V717 M720 D721 Y725 D768 F773 A774	M712-K771 HydrophobicContact CE-CB 3.82Å; M712-K771 HydrophobicContact CE-CD 3.88Å; M712-K771 HydrophobicContact SD-CD 4.48Å; V717-K771 HydrophobicContact CG1-CD 4.18Å; M720-K771 HydrophobicContact CG-CD 4.35Å; M720-K771 HydrophobicContact SD-CD 3.64Å; M720-K771 HydrophobicContact SD-CG 4.2Å; D721-K771 VanDerWaalsContact OD1-CE 3.27Å; D721-K771 WeakPolarHBondContact OD1-CE 3.48Å; D721-K771 IonicContact OD1-NZ 3.57Å; D721-K771 PolarHBondContact OD1-NZ 2.76Å; D721-K771 IonicContact OD2-NZ 3.86Å; D721-K771 PolarHBondContact OD2-NZ 3.49Å; Y725-K771 HydrophobicContact CD1-CG 4.38Å; Y725-K771 HydrophobicContact CD2-CB 4.39Å; Y725-K771 HydrophobicContact CD2-CG 4.15Å; Y725-K771 HydrophobicContact CE2-CB 4.15Å; Y725-K771 HydrophobicContact CE2-CG 4.37Å; Y725-K771 HydrophobicContact CG-CG 4.13Å; D768-K771 VanDerWaalsContact CG-N 3.3Å; D768-K771 PolarHBondContact OD1-N 3.41Å; D768-K771 VanDerWaalsContact OD2-CA 3.29Å; D768-K771 WeakPolarHBondContact OD2-CA 3.42Å; D768-K771 PolarHBondContact OD2-N 2.95Å; K771-F773 PolarHBondContact O-N 3.27Å; K771-A774 HydrophobicContact CB-CB 3.98Å; K771-A774 WeakPolarHBondContact O-CB 3.22Å; K771-A774 PolarHBondContact O-N 3.28Å; K771-A774 VanDerWaalsContact O-N 3.08Å
772	V	98.6	Very high	97.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-40.3	-176.1	174	0	0	0	0	111.3	R574 L577 L580 L764 D768 F770 A774	R574-V772 HydrophobicContact CG-CG2 4.45Å; L577-V772 HydrophobicContact CB-CG1 4.13Å; L577-V772 HydrophobicContact CD1-CG1 4.38Å; L580-V772 HydrophobicContact CD1-CG1 3.9Å; L764-V772 HydrophobicContact CD2-CB 3.8Å; L764-V772 HydrophobicContact CD2-CG1 4.11Å; L764-V772 HydrophobicContact CD2-CG2 3.89Å; D768-V772 PolarHBondContact OD2-N 2.75Å; F770-V772 VanDerWaalsContact C-N 3.34Å; F770-V772 PolarHBondContact O-N 2.85Å; V772-A774 VanDerWaalsContact C-N 3.35Å
773	F	98.6	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-25.1	-178.4	-62.5	-11.7	0	0	0	113.4	L580 Y725 A727 Y730 L737 M741 L764 F765 K771 D775 F776	L580-F773 HydrophobicContact CD1-CD1 4.2Å; L580-F773 HydrophobicContact CD1-CE1 3.96Å; Y725-F773 PolarHBondContact OH-N 2.71Å; A727-F773 HydrophobicContact CB-CD2 3.72Å; A727-F773 HydrophobicContact CB-CE2 4.02Å; Y730-F773 WeakPolarHBondContact CD1-O 3.19Å; Y730-F773 HydrophobicContact CD2-CB 4.42Å; Y730-F773 HydrophobicContact CG-CB 4.09Å; L737-F773 HydrophobicContact CD1-CD1 3.78Å; L737-F773 HydrophobicContact CD1-CE1 3.84Å; L737-F773 HydrophobicContact CD1-CG 4.4Å; L737-F773 HydrophobicContact CD1-CZ 4.49Å; L737-F773 HydrophobicContact CD2-CB 3.87Å; L737-F773 HydrophobicContact CD2-CD1 3.98Å; L737-F773 HydrophobicContact CD2-CD2 4.07Å; L737-F773 HydrophobicContact CD2-CG 3.73Å; L737-F773 HydrophobicContact CG-CD1 4.43Å; M741-F773 HydrophobicContact CE-CZ 3.95Å; M741-F773 HydrophobicContact CG-CE1 4.18Å; M741-F773 HydrophobicContact CG-CZ 3.78Å; M741-F773 HydrophobicContact SD-CE1 3.79Å; M741-F773 HydrophobicContact SD-CZ 3.67Å; L764-F773 HydrophobicContact CB-CE1 4.22Å; L764-F773 HydrophobicContact CB-CE2 4.47Å; L764-F773 HydrophobicContact CB-CZ 3.8Å; L764-F773 HydrophobicContact CD1-CE1 4.11Å; L764-F773 HydrophobicContact CD1-CZ 4.26Å; L764-F773 HydrophobicContact CD2-CE1 4.2Å; L764-F773 HydrophobicContact CG-CE1 4.42Å; L764-F773 HydrophobicContact CG-CZ 4.46Å; F765-F773 HydrophobicContact CD1-CE2 4.21Å; F765-F773 AromaticContact CE1-CE2 3.99Å; F765-F773 HydrophobicContact CE1-CE2 3.99Å; F765-F773 HydrophobicContact CZ-CE2 4.22Å; F765-F773 HydrophobicContact CZ-CZ 4.49Å; K771-F773 PolarHBondContact O-N 3.27Å; F773-D775 VanDerWaalsContact C-N 3.33Å; F773-D775 PolarHBondContact O-N 3.18Å; F773-F776 WeakPolarHBondContact O-CB 3.45Å; F773-F776 PolarHBondContact O-N 2.94Å
774	A	98.3	Very high	97.8	Very high	19 Å²	19	44.4 Å²	44.4	16%	0.157	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-38.5	-178.2	0	0	0	0	0	112.5	M712 M720 Y725 Y730 K771 V772	M712-A774 HydrophobicContact CE-CB 3.54Å; M712-A774 HydrophobicContact SD-CB 4.04Å; M720-A774 HydrophobicContact CE-CB 3.95Å; M720-A774 HydrophobicContact SD-CB 4.07Å; Y725-A774 HydrophobicContact CE2-CB 4.24Å; Y730-A774 HydrophobicContact CE1-CB 4.22Å; Y730-A774 HydrophobicContact CE2-CB 4.32Å; K771-A774 HydrophobicContact CB-CB 3.98Å; K771-A774 WeakPolarHBondContact O-CB 3.22Å; K771-A774 PolarHBondContact O-N 3.28Å; K771-A774 VanDerWaalsContact O-N 3.08Å; V772-A774 VanDerWaalsContact C-N 3.35Å
775	D	98.6	Very high	97.9	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.4	-179.5	-74.2	-18.7	0	0	0	113.7	R574 L577 F710 G711 M712 F773 E777 D778 Y779	R574-D775 IonicContact CZ-OD2 3.74Å; R574-D775 IonicContact NH1-OD2 2.81Å; R574-D775 PolarHBondContact NH1-OD2 3.13Å; R574-D775 IonicContact NH2-OD2 2.78Å; R574-D775 PolarHBondContact NH2-OD2 3.39Å; L577-D775 HydrophobicContact CD2-CB 4.47Å; F710-D775 HydrophobicContact CE2-CB 4.23Å; G711-D775 VanDerWaalsContact CA-OD1 3.27Å; G711-D775 WeakPolarHBondContact CA-OD1 3.5Å; M712-D775 WeakPolarHBondContact CG-OD1 3.2Å; M712-D775 PolarHBondContact N-OD1 2.89Å; F773-D775 VanDerWaalsContact C-N 3.33Å; F773-D775 PolarHBondContact O-N 3.18Å; D775-E777 PolarHBondContact O-N 3.1Å; D775-D778 PolarHBondContact O-N 3.32Å; D775-Y779 VanDerWaalsContact O-CB 3.27Å; D775-Y779 WeakPolarHBondContact O-CB 3.49Å; D775-Y779 PolarHBondContact O-N 3.25Å
776	F	98.8	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-48	-171.8	178.4	-102	0	0	0	113	L577 L580 T584 I734 E736 L737 F773 Y779 L780	L577-F776 HydrophobicContact CD1-CB 4.29Å; L577-F776 HydrophobicContact CD1-CD2 4.03Å; L580-F776 HydrophobicContact CB-CD2 3.98Å; L580-F776 HydrophobicContact CB-CE2 3.51Å; L580-F776 HydrophobicContact CD1-CD2 4.17Å; L580-F776 HydrophobicContact CD1-CE2 4.37Å; T584-F776 WeakPolarHBondContact OG1-CZ 3.22Å; I734-F776 HydrophobicContact CG2-CD1 4.22Å; I734-F776 HydrophobicContact CG2-CE1 4.19Å; E736-F776 HydrophobicContact CB-CE1 4.48Å; L737-F776 HydrophobicContact CB-CD1 3.82Å; L737-F776 HydrophobicContact CB-CE1 3.65Å; L737-F776 HydrophobicContact CB-CZ 4.38Å; L737-F776 HydrophobicContact CD1-CD1 4.06Å; L737-F776 HydrophobicContact CD1-CD2 4.27Å; L737-F776 HydrophobicContact CD1-CE1 4.16Å; L737-F776 HydrophobicContact CD1-CE2 4.38Å; L737-F776 HydrophobicContact CD1-CG 4.1Å; L737-F776 HydrophobicContact CD1-CZ 4.3Å; L737-F776 HydrophobicContact CD2-CD1 4.41Å; L737-F776 HydrophobicContact CG-CD1 4.31Å; L737-F776 HydrophobicContact CG-CE1 4.44Å; F773-F776 WeakPolarHBondContact O-CB 3.45Å; F773-F776 PolarHBondContact O-N 2.94Å; F776-Y779 PolarHBondContact O-N 3.22Å; F776-L780 HydrophobicContact CD1-CD1 4.17Å; F776-L780 HydrophobicContact CE1-CD1 3.51Å; F776-L780 HydrophobicContact CE1-CG 4.27Å; F776-L780 HydrophobicContact CE2-CD1 4.35Å; F776-L780 HydrophobicContact CE2-CD2 4.4Å; F776-L780 HydrophobicContact CE2-CG 4.4Å; F776-L780 HydrophobicContact CZ-CD1 3.64Å; F776-L780 HydrophobicContact CZ-CD2 4.36Å; F776-L780 HydrophobicContact CZ-CG 4.17Å; F776-L780 WeakPolarHBondContact O-CG 3.19Å; F776-L780 PolarHBondContact O-N 2.67Å; F776-L780 VanDerWaalsContact O-N 3.13Å
777	E	98.3	Very high	98.1	Very high	80 Å²	80	41.9 Å²	41.9	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-66.3	-41.6	-177.1	-166.2	-170.7	-119.9	0	0	112.3	I734 D775 L780 K781	I734-E777 HydrophobicContact CD1-CB 4.19Å; D775-E777 PolarHBondContact O-N 3.1Å; E777-L780 PolarHBondContact O-N 3.41Å; E777-K781 VanDerWaalsContact CD-NZ 3.27Å; E777-K781 HydrophobicContact CG-CD 4.5Å; E777-K781 WeakPolarHBondContact O-CG 3.45Å; E777-K781 PolarHBondContact O-N 2.95Å; E777-K781 VanDerWaalsContact O-N 3.12Å; E777-K781 IonicContact OE1-NZ 3.78Å; E777-K781 IonicContact OE2-NZ 3.62Å; E777-K781 PolarHBondContact OE2-NZ 3.37Å
778	D	98.4	Very high	98.2	Very high	65 Å²	65	40.3 Å²	40.3	35%	0.348	19%	0.188	S	C	.	.	H	α-helix	trans	-71.9	-33.7	-179.4	-163.4	34.3	0	0	0	112.1	F710 G711 D775 K781 T782	F710-D778 WeakPolarHBondContact CA-OD2 3.33Å; F710-D778 WeakPolarHBondContact CB-OD2 3.45Å; G711-D778 PolarHBondContact N-OD2 3.29Å; D775-D778 PolarHBondContact O-N 3.32Å; D778-K781 PolarHBondContact O-N 2.88Å; D778-T782 WeakPolarHBondContact O-CB 3.41Å; D778-T782 PolarHBondContact O-N 3.45Å; D778-T782 PolarHBondContact O-OG1 2.83Å
779	Y	98.8	Very high	98.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-46.7	170.9	-178.3	-128.2	0	0	0	111.8	L577 N578 H581 E663 I665 I688 F710 D775 F776 T782 Q783	L577-Y779 HydrophobicContact CD1-CD1 3.78Å; L577-Y779 HydrophobicContact CD1-CE1 4.46Å; L577-Y779 HydrophobicContact CD1-CG 4.34Å; L577-Y779 HydrophobicContact CD2-CD1 4.25Å; L577-Y779 HydrophobicContact CD2-CG 4.24Å; L577-Y779 HydrophobicContact CG-CD1 3.69Å; L577-Y779 HydrophobicContact CG-CE1 4.01Å; L577-Y779 HydrophobicContact CG-CG 4.18Å; N578-Y779 PolarHBondContact OD1-OH 3.5Å; N578-Y779 VanDerWaalsContact OD1-OH 3.13Å; H581-Y779 HydrophobicContact CB-CD1 3.99Å; H581-Y779 HydrophobicContact CB-CE1 3.4Å; H581-Y779 VanDerWaalsContact CB-CE1 3.4Å; H581-Y779 AromaticContact CG-CE1 3.88Å; E663-Y779 VanDerWaalsContact CD-OH 3.3Å; E663-Y779 PolarHBondContact OE1-OH 3.09Å; E663-Y779 PolarHBondContact OE2-OH 3.36Å; E663-Y779 VanDerWaalsContact OE2-OH 3.1Å; I665-Y779 HydrophobicContact CG2-CE2 4.04Å; I688-Y779 HydrophobicContact CD1-CD2 3.95Å; I688-Y779 HydrophobicContact CD1-CE2 3.71Å; I688-Y779 HydrophobicContact CG1-CE2 4.34Å; F710-Y779 HydrophobicContact CD1-CD2 4.15Å; F710-Y779 HydrophobicContact CD2-CD2 4.22Å; F710-Y779 HydrophobicContact CD2-CG 4.46Å; F710-Y779 AromaticContact CE1-CD2 3.56Å; F710-Y779 HydrophobicContact CE1-CD2 3.56Å; F710-Y779 HydrophobicContact CE1-CE2 4.1Å; F710-Y779 AromaticContact CE2-CD2 3.67Å; F710-Y779 HydrophobicContact CE2-CD2 3.67Å; F710-Y779 AromaticContact CE2-CG 3.9Å; F710-Y779 HydrophobicContact CE2-CG 3.9Å; F710-Y779 HydrophobicContact CG-CD2 4.45Å; F710-Y779 AromaticContact CZ-CD2 3.29Å; F710-Y779 HydrophobicContact CZ-CD2 3.29Å; F710-Y779 HydrophobicContact CZ-CE2 4Å; F710-Y779 AromaticContact CZ-CG 3.95Å; F710-Y779 HydrophobicContact CZ-CG 3.95Å; D775-Y779 VanDerWaalsContact O-CB 3.27Å; D775-Y779 WeakPolarHBondContact O-CB 3.49Å; D775-Y779 PolarHBondContact O-N 3.25Å; F776-Y779 PolarHBondContact O-N 3.22Å; Y779-T782 PolarHBondContact O-N 2.88Å; Y779-Q783 HydrophobicContact CD2-CG 4.23Å; Y779-Q783 HydrophobicContact CE2-CG 3.93Å; Y779-Q783 WeakPolarHBondContact O-CG 3.27Å; Y779-Q783 PolarHBondContact O-N 3.22Å; Y779-Q783 PolarHBondContact OH-NE2 2.93Å
780	L	98.4	Very high	98.4	Very high	24 Å²	24	37 Å²	37	13%	0.126	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-48.4	177.1	-68.1	-175.8	0	0	0	112.1	H581 T584 F776 E777 T782 Q783 E784	H581-L780 HydrophobicContact CB-CD2 4.05Å; H581-L780 VanDerWaalsContact CD2-CD2 3.49Å; H581-L780 WeakPolarHBondContact CD2-CD2 3.5Å; T584-L780 HydrophobicContact CG2-CD1 4Å; T584-L780 HydrophobicContact CG2-CD2 4.12Å; F776-L780 HydrophobicContact CD1-CD1 4.17Å; F776-L780 HydrophobicContact CE1-CD1 3.51Å; F776-L780 HydrophobicContact CE1-CG 4.27Å; F776-L780 HydrophobicContact CE2-CD1 4.35Å; F776-L780 HydrophobicContact CE2-CD2 4.4Å; F776-L780 HydrophobicContact CE2-CG 4.4Å; F776-L780 HydrophobicContact CZ-CD1 3.64Å; F776-L780 HydrophobicContact CZ-CD2 4.36Å; F776-L780 HydrophobicContact CZ-CG 4.17Å; F776-L780 WeakPolarHBondContact O-CG 3.19Å; F776-L780 PolarHBondContact O-N 2.67Å; F776-L780 VanDerWaalsContact O-N 3.13Å; E777-L780 PolarHBondContact O-N 3.41Å; L780-T782 PolarHBondContact O-N 2.86Å; L780-Q783 WeakPolarHBondContact O-CB 3.21Å; L780-Q783 PolarHBondContact O-N 2.99Å; L780-Q783 VanDerWaalsContact O-N 3.16Å; L780-E784 PolarHBondContact O-N 3.49Å
781	K	98.6	Very high	98.4	Very high	96 Å²	96	43.5 Å²	43.5	42%	0.417	21%	0.208	S	C	.	.	H	α-helix	trans	-58.4	-36.6	178	-72.3	168.3	-179.7	164.4	0	112	E777 D778 E784 K785	E777-K781 VanDerWaalsContact CD-NZ 3.27Å; E777-K781 HydrophobicContact CG-CD 4.5Å; E777-K781 WeakPolarHBondContact O-CG 3.45Å; E777-K781 PolarHBondContact O-N 2.95Å; E777-K781 VanDerWaalsContact O-N 3.12Å; E777-K781 IonicContact OE1-NZ 3.78Å; E777-K781 IonicContact OE2-NZ 3.62Å; E777-K781 PolarHBondContact OE2-NZ 3.37Å; D778-K781 PolarHBondContact O-N 2.88Å; K781-E784 PolarHBondContact O-N 2.84Å; K781-K785 PolarHBondContact O-N 2.81Å
782	T	98.8	Very high	98.4	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-75	-37	179.2	-59.7	0	0	0	0	111.6	I688 F708 F710 D778 Y779 L780 E784 K785 V786	I688-T782 HydrophobicContact CD1-CG2 3.84Å; I688-T782 HydrophobicContact CG1-CG2 4.08Å; F708-T782 HydrophobicContact CB-CG2 3.74Å; F710-T782 HydrophobicContact CB-CG2 4.2Å; F710-T782 WeakPolarHBondContact CB-OG1 3.39Å; D778-T782 WeakPolarHBondContact O-CB 3.41Å; D778-T782 PolarHBondContact O-N 3.45Å; D778-T782 PolarHBondContact O-OG1 2.83Å; Y779-T782 PolarHBondContact O-N 2.88Å; L780-T782 PolarHBondContact O-N 2.86Å; T782-E784 VanDerWaalsContact C-N 3.27Å; T782-E784 PolarHBondContact O-N 3.33Å; T782-K785 WeakPolarHBondContact O-CB 3.37Å; T782-K785 PolarHBondContact O-N 3.14Å; T782-V786 WeakPolarHBondContact O-CG2 3.34Å; T782-V786 PolarHBondContact O-N 3.47Å
783	Q	98.7	Very high	98.2	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-30.4	172.1	-73.2	-74.6	16.3	0	0	113.2	H581 R600 E663 I688 Y779 L780 S787	H581-Q783 VanDerWaalsContact CE1-CD 3.47Å; R600-Q783 PolarHBondContact NH2-O 3.4Å; R600-Q783 VanDerWaalsContact NH2-OE1 3.13Å; E663-Q783 PolarHBondContact OE1-NE2 3.18Å; I688-Q783 HydrophobicContact CD1-CG 3.73Å; Y779-Q783 HydrophobicContact CD2-CG 4.23Å; Y779-Q783 HydrophobicContact CE2-CG 3.93Å; Y779-Q783 WeakPolarHBondContact O-CG 3.27Å; Y779-Q783 PolarHBondContact O-N 3.22Å; Y779-Q783 PolarHBondContact OH-NE2 2.93Å; L780-Q783 WeakPolarHBondContact O-CB 3.21Å; L780-Q783 PolarHBondContact O-N 2.99Å; L780-Q783 VanDerWaalsContact O-N 3.16Å; Q783-S787 PolarHBondContact O-N 3.47Å; Q783-S787 VanDerWaalsContact O-N 3.11Å; Q783-S787 PolarHBondContact O-OG 3.43Å
784	E	97.9	Very high	98.2	Very high	120 Å²	120	54 Å²	54	56%	0.561	27%	0.27	S	S	*	.	H	α-helix	trans	-63.7	-48.3	171.1	-70.6	173.2	173.4	0	0	111.1	L780 K781 T782 V786 S787 E788	L780-E784 PolarHBondContact O-N 3.49Å; K781-E784 PolarHBondContact O-N 2.84Å; T782-E784 VanDerWaalsContact C-N 3.27Å; T782-E784 PolarHBondContact O-N 3.33Å; E784-V786 VanDerWaalsContact C-N 3.3Å; E784-V786 PolarHBondContact O-N 2.72Å; E784-S787 WeakPolarHBondContact O-CA 3.4Å; E784-S787 WeakPolarHBondContact O-CB 3.33Å; E784-S787 PolarHBondContact O-N 2.89Å; E784-E788 WeakPolarHBondContact O-CG 3.31Å; E784-E788 PolarHBondContact O-N 2.98Å
785	K	98.5	Very high	98.2	Very high	114 Å²	114	56.9 Å²	56.9	50%	0.496	28%	0.281	S	S	.	.	H	α-helix	trans	-58	-40.3	175.3	-62.4	173.2	-173.2	169.5	0	112.8	F708 K781 T782 S787 E788 L789	F708-K785 HydrophobicContact CD1-CB 4.48Å; F708-K785 HydrophobicContact CE1-CB 4.33Å; K781-K785 PolarHBondContact O-N 2.81Å; T782-K785 WeakPolarHBondContact O-CB 3.37Å; T782-K785 PolarHBondContact O-N 3.14Å; K785-S787 VanDerWaalsContact C-N 3.29Å; K785-S787 PolarHBondContact O-N 3.15Å; K785-E788 PolarHBondContact O-N 3.42Å; K785-L789 PolarHBondContact O-N 3.47Å
786	V	98.7	Very high	98.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-46.5	173.4	173.3	0	0	0	0	110.3	M561 L661 I688 F708 T782 E784 L789 Y790 W796	M561-V786 HydrophobicContact CE-CG1 4.15Å; M561-V786 HydrophobicContact SD-CG1 3.69Å; L661-V786 HydrophobicContact CD1-CG1 3.85Å; L661-V786 HydrophobicContact CD1-CG2 4.11Å; L661-V786 HydrophobicContact CD2-CG1 3.85Å; L661-V786 HydrophobicContact CG-CG1 4.38Å; I688-V786 HydrophobicContact CD1-CG2 4.36Å; F708-V786 HydrophobicContact CB-CG2 4.07Å; F708-V786 HydrophobicContact CD1-CG2 3.63Å; F708-V786 HydrophobicContact CD2-CG2 3.63Å; F708-V786 HydrophobicContact CE1-CB 4.42Å; F708-V786 HydrophobicContact CE1-CG2 3.85Å; F708-V786 HydrophobicContact CE2-CB 4.5Å; F708-V786 HydrophobicContact CE2-CG2 3.83Å; F708-V786 HydrophobicContact CG-CG2 3.5Å; F708-V786 VanDerWaalsContact CG-CG2 3.5Å; F708-V786 HydrophobicContact CZ-CB 4.34Å; F708-V786 HydrophobicContact CZ-CG2 3.93Å; T782-V786 WeakPolarHBondContact O-CG2 3.34Å; T782-V786 PolarHBondContact O-N 3.47Å; E784-V786 VanDerWaalsContact C-N 3.3Å; E784-V786 PolarHBondContact O-N 2.72Å; V786-L789 PolarHBondContact O-N 3.2Å; V786-Y790 WeakPolarHBondContact O-CB 3.25Å; V786-Y790 PolarHBondContact O-N 3.12Å; V786-W796 HydrophobicContact CG1-CH2 4.16Å; V786-W796 HydrophobicContact CG1-CZ3 4.05Å
787	S	98.3	Very high	98.2	Very high	24 Å²	24	58 Å²	58	17%	0.168	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-40.4	-179.6	-51.2	0	0	0	0	111.8	V598 R600 Q783 E784 K785 Y790	V598-S787 WeakPolarHBondContact CG2-O 3.39Å; R600-S787 PolarHBondContact NH2-OG 3.47Å; Q783-S787 PolarHBondContact O-N 3.47Å; Q783-S787 VanDerWaalsContact O-N 3.11Å; Q783-S787 PolarHBondContact O-OG 3.43Å; E784-S787 WeakPolarHBondContact O-CA 3.4Å; E784-S787 WeakPolarHBondContact O-CB 3.33Å; E784-S787 PolarHBondContact O-N 2.89Å; K785-S787 VanDerWaalsContact C-N 3.29Å; K785-S787 PolarHBondContact O-N 3.15Å; S787-Y790 PolarHBondContact O-N 2.95Å
788	E	98.1	Very high	98.2	Very high	133 Å²	133	55.9 Å²	55.9	62%	0.621	28%	0.275	S	S	*	.	H	α-helix	trans	-60.5	-49.8	176	-70.4	174.1	176	0	0	111.4	E784 K785 Y790 Q791	E784-E788 WeakPolarHBondContact O-CG 3.31Å; E784-E788 PolarHBondContact O-N 2.98Å; K785-E788 PolarHBondContact O-N 3.42Å; E788-Y790 VanDerWaalsContact C-N 3.33Å; E788-Y790 PolarHBondContact O-N 3.19Å; E788-Q791 PolarHBondContact O-N 3.08Å
789	L	98.5	Very high	98.3	Very high	37 Å²	37	54.1 Å²	54.1	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-36.9	179.3	-174.5	65.5	0	0	0	112.2	L686 F708 K785 V786 Q791 D792 E795 W796 M799	L686-L789 HydrophobicContact CD1-CD2 4.3Å; F708-L789 HydrophobicContact CZ-CB 4.3Å; F708-L789 HydrophobicContact CZ-CD2 3.72Å; K785-L789 PolarHBondContact O-N 3.47Å; V786-L789 PolarHBondContact O-N 3.2Å; L789-Q791 PolarHBondContact O-N 3.3Å; L789-Q791 VanDerWaalsContact O-N 3.12Å; L789-D792 CarbonylContact O-C 3.56Å; L789-D792 PolarHBondContact O-N 2.91Å; L789-E795 HydrophobicContact CD1-CB 3.95Å; L789-W796 HydrophobicContact CB-CE3 4.24Å; L789-W796 HydrophobicContact CD2-CE3 4.01Å; L789-W796 HydrophobicContact CG-CB 4.43Å; L789-W796 HydrophobicContact CG-CE3 3.97Å; L789-M799 HydrophobicContact CD2-CE 3.5Å; L789-M799 VanDerWaalsContact CD2-CE 3.5Å; L789-M799 HydrophobicContact CD2-SD 3.63Å
790	Y	98.4	Very high	98.3	Very high	41 Å²	41	54.4 Å²	54.4	16%	0.161	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-21.6	-179.2	-163.9	-98.6	0	0	0	113.2	K541 M561 V598 D660 V786 S787 E788 D792 W796	K541-Y790 PolarHBondContact NZ-OH 3.32Å; K541-Y790 VanDerWaalsContact NZ-OH 3.1Å; M561-Y790 WeakPolarHBondContact CA-OH 3.3Å; M561-Y790 HydrophobicContact CB-CD1 4.15Å; M561-Y790 HydrophobicContact CB-CD2 4.25Å; M561-Y790 HydrophobicContact CB-CE1 3.81Å; M561-Y790 HydrophobicContact CB-CE2 3.93Å; M561-Y790 HydrophobicContact CB-CG 4.36Å; M561-Y790 HydrophobicContact CE-CD1 4.44Å; M561-Y790 HydrophobicContact CE-CD2 4.48Å; M561-Y790 HydrophobicContact CE-CG 4.12Å; M561-Y790 HydrophobicContact CG-CD2 4.15Å; M561-Y790 HydrophobicContact CG-CE2 3.97Å; M561-Y790 HydrophobicContact SD-CD2 4.02Å; M561-Y790 HydrophobicContact SD-CE2 4.44Å; M561-Y790 HydrophobicContact SD-CG 4.26Å; V598-Y790 HydrophobicContact CG1-CD1 3.62Å; V598-Y790 HydrophobicContact CG1-CE1 4.34Å; V598-Y790 HydrophobicContact CG1-CG 4.34Å; D660-Y790 HydrophobicContact CB-CE2 4.09Å; D660-Y790 PolarHBondContact OD2-OH 3.41Å; D660-Y790 VanDerWaalsContact OD2-OH 3.06Å; V786-Y790 WeakPolarHBondContact O-CB 3.25Å; V786-Y790 PolarHBondContact O-N 3.12Å; S787-Y790 PolarHBondContact O-N 2.95Å; E788-Y790 VanDerWaalsContact C-N 3.33Å; E788-Y790 PolarHBondContact O-N 3.19Å; Y790-D792 VanDerWaalsContact C-N 3.32Å; Y790-W796 AromaticContact CD2-CD2 3.73Å; Y790-W796 HydrophobicContact CD2-CD2 3.73Å; Y790-W796 AromaticContact CD2-CE2 3.71Å; Y790-W796 AromaticContact CD2-CE3 3.75Å; Y790-W796 HydrophobicContact CD2-CE3 3.75Å; Y790-W796 HydrophobicContact CD2-CG 4.44Å; Y790-W796 AromaticContact CD2-CH2 3.78Å; Y790-W796 HydrophobicContact CD2-CH2 3.78Å; Y790-W796 AromaticContact CD2-CZ2 3.76Å; Y790-W796 HydrophobicContact CD2-CZ2 3.76Å; Y790-W796 AromaticContact CD2-CZ3 3.77Å; Y790-W796 HydrophobicContact CD2-CZ3 3.77Å; Y790-W796 HydrophobicContact CE2-CD2 4.4Å; Y790-W796 HydrophobicContact CE2-CH2 4.48Å; Y790-W796 HydrophobicContact CE2-CZ2 4.08Å; Y790-W796 HydrophobicContact CG-CE3 4.37Å; Y790-W796 HydrophobicContact CG-CZ3 4.42Å
791	Q	97.2	Very high	98.3	Very high	143 Å²	143	53.3 Å²	53.3	67%	0.668	26%	0.262	S	S	*	.	H	α-helix	trans	-72.4	-27	173.9	-63.5	179.7	14	0	0	112.3	V598 E788 L789 T793	V598-Q791 HydrophobicContact CG2-CG 3.78Å; E788-Q791 PolarHBondContact O-N 3.08Å; L789-Q791 PolarHBondContact O-N 3.3Å; L789-Q791 VanDerWaalsContact O-N 3.12Å; Q791-T793 PolarHBondContact O-N 2.67Å
792	D	97.8	Very high	98.3	Very high	77 Å²	77	52.1 Å²	52.1	41%	0.412	26%	0.256	S	S	.	.			trans	-94.2	87.1	172.2	-167.6	-28.3	0	0	0	110.4	L789 Y790 V794 E795 W796	L789-D792 CarbonylContact O-C 3.56Å; L789-D792 PolarHBondContact O-N 2.91Å; Y790-D792 VanDerWaalsContact C-N 3.32Å; D792-V794 PolarHBondContact O-N 3.2Å; D792-V794 VanDerWaalsContact O-N 3.14Å; D792-V794 PolarHBondContact OD1-N 2.74Å; D792-V794 VanDerWaalsContact OD1-N 3.15Å; D792-E795 HydrophobicContact CB-CB 4.26Å; D792-E795 PolarHBondContact O-N 3.01Å; D792-E795 PolarHBondContact OD1-N 3.25Å; D792-E795 VanDerWaalsContact OD1-N 3.08Å; D792-E795 WeakPolarHBondContact OD2-CG 3.39Å; D792-W796 VanDerWaalsContact O-CB 3.31Å; D792-W796 WeakPolarHBondContact O-CB 3.35Å; D792-W796 PolarHBondContact O-N 3.42Å
793	T	95.1	Very high	98.3	Very high	98 Å²	98	52 Å²	52	60%	0.601	26%	0.255	S	S	*	.	H	α-helix	trans	-57.8	-28.5	-178.2	58.1	0	0	0	0	114.2	Q791 T797	Q791-T793 PolarHBondContact O-N 2.67Å; T793-T797 WeakPolarHBondContact O-CB 3.35Å; T793-T797 PolarHBondContact O-N 2.82Å; T793-T797 PolarHBondContact O-OG1 3.44Å
794	V	98.1	Very high	98.3	Very high	54 Å²	54	52 Å²	52	33%	0.327	26%	0.256	S	S	.	.	H	α-helix	trans	-75.4	-53.1	-179.7	173.6	0	0	0	0	109	I530 D792 W796 T797 K798	I530-V794 HydrophobicContact CD1-CG1 4.42Å; D792-V794 PolarHBondContact O-N 3.2Å; D792-V794 VanDerWaalsContact O-N 3.14Å; D792-V794 PolarHBondContact OD1-N 2.74Å; D792-V794 VanDerWaalsContact OD1-N 3.15Å; V794-W796 PolarHBondContact O-N 2.84Å; V794-T797 PolarHBondContact O-N 3.01Å; V794-T797 VanDerWaalsContact O-N 3.16Å; V794-K798 WeakPolarHBondContact O-CG 3.39Å; V794-K798 PolarHBondContact O-N 3.38Å
795	E	98.5	Very high	98.3	Very high	80 Å²	80	46.3 Å²	46.3	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-67	-36	-179	-66.2	-55.7	130.7	0	0	112.4	L789 D792 T797 K798 M799	L789-E795 HydrophobicContact CD1-CB 3.95Å; D792-E795 HydrophobicContact CB-CB 4.26Å; D792-E795 PolarHBondContact O-N 3.01Å; D792-E795 PolarHBondContact OD1-N 3.25Å; D792-E795 VanDerWaalsContact OD1-N 3.08Å; D792-E795 WeakPolarHBondContact OD2-CG 3.39Å; E795-T797 VanDerWaalsContact C-N 3.34Å; E795-T797 PolarHBondContact O-N 3.2Å; E795-K798 PolarHBondContact O-N 2.97Å; E795-K798 WeakPolarHBondContact OE1-CE 3.27Å; E795-K798 IonicContact OE1-NZ 2.73Å; E795-K798 PolarHBondContact OE1-NZ 2.9Å; E795-M799 PolarHBondContact O-N 2.85Å
796	W	98.8	Very high	98.3	Very high	15 Å²	15	41.2 Å²	41.2	6%	0.057	21%	0.208	C	C	.	.	H	α-helix	trans	-55.1	-49.6	169.5	179.1	-85.3	0	0	0	111.5	M561 D660 L686 F708 V786 L789 Y790 D792 V794 K798 M799 V800	M561-W796 HydrophobicContact SD-CH2 4.21Å; D660-W796 HydrophobicContact CB-CZ2 4.08Å; D660-W796 WeakPolarHBondContact O-CZ2 3.41Å; L686-W796 HydrophobicContact CB-CH2 4.21Å; L686-W796 HydrophobicContact CB-CZ2 4.18Å; L686-W796 HydrophobicContact CD1-CD2 3.73Å; L686-W796 HydrophobicContact CD1-CE3 3.72Å; L686-W796 HydrophobicContact CD1-CG 4.48Å; L686-W796 HydrophobicContact CD1-CH2 3.76Å; L686-W796 HydrophobicContact CD1-CZ2 3.74Å; L686-W796 HydrophobicContact CD1-CZ3 3.75Å; L686-W796 HydrophobicContact CG-CH2 4.27Å; L686-W796 HydrophobicContact CG-CZ2 3.96Å; F708-W796 HydrophobicContact CE2-CZ3 4.3Å; F708-W796 HydrophobicContact CZ-CZ3 4.45Å; V786-W796 HydrophobicContact CG1-CH2 4.16Å; V786-W796 HydrophobicContact CG1-CZ3 4.05Å; L789-W796 HydrophobicContact CB-CE3 4.24Å; L789-W796 HydrophobicContact CD2-CE3 4.01Å; L789-W796 HydrophobicContact CG-CB 4.43Å; L789-W796 HydrophobicContact CG-CE3 3.97Å; Y790-W796 AromaticContact CD2-CD2 3.73Å; Y790-W796 HydrophobicContact CD2-CD2 3.73Å; Y790-W796 AromaticContact CD2-CE2 3.71Å; Y790-W796 AromaticContact CD2-CE3 3.75Å; Y790-W796 HydrophobicContact CD2-CE3 3.75Å; Y790-W796 HydrophobicContact CD2-CG 4.44Å; Y790-W796 AromaticContact CD2-CH2 3.78Å; Y790-W796 HydrophobicContact CD2-CH2 3.78Å; Y790-W796 AromaticContact CD2-CZ2 3.76Å; Y790-W796 HydrophobicContact CD2-CZ2 3.76Å; Y790-W796 AromaticContact CD2-CZ3 3.77Å; Y790-W796 HydrophobicContact CD2-CZ3 3.77Å; Y790-W796 HydrophobicContact CE2-CD2 4.4Å; Y790-W796 HydrophobicContact CE2-CH2 4.48Å; Y790-W796 HydrophobicContact CE2-CZ2 4.08Å; Y790-W796 HydrophobicContact CG-CE3 4.37Å; Y790-W796 HydrophobicContact CG-CZ3 4.42Å; D792-W796 VanDerWaalsContact O-CB 3.31Å; D792-W796 WeakPolarHBondContact O-CB 3.35Å; D792-W796 PolarHBondContact O-N 3.42Å; V794-W796 PolarHBondContact O-N 2.84Å; W796-K798 PolarHBondContact O-N 3.29Å; W796-M799 WeakPolarHBondContact O-CB 3.4Å; W796-M799 PolarHBondContact O-N 2.82Å; W796-V800 WeakPolarHBondContact O-CG2 3.48Å; W796-V800 PolarHBondContact O-N 2.71Å
797	T	98.8	Very high	98.3	Very high	10 Å²	10	41.3 Å²	41.3	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-70.2	-33.1	-176.6	-55.5	0	0	0	0	112	I530 V533 A534 T793 V794 E795 M799 V800 I801	I530-T797 HydrophobicContact CB-CG2 4.48Å; I530-T797 HydrophobicContact CG2-CG2 3.89Å; I530-T797 WeakPolarHBondContact O-CG2 3.34Å; V533-T797 HydrophobicContact CB-CG2 4.08Å; V533-T797 HydrophobicContact CG1-CG2 3.91Å; A534-T797 HydrophobicContact CB-CG2 4.34Å; T793-T797 WeakPolarHBondContact O-CB 3.35Å; T793-T797 PolarHBondContact O-N 2.82Å; T793-T797 PolarHBondContact O-OG1 3.44Å; V794-T797 PolarHBondContact O-N 3.01Å; V794-T797 VanDerWaalsContact O-N 3.16Å; E795-T797 VanDerWaalsContact C-N 3.34Å; E795-T797 PolarHBondContact O-N 3.2Å; T797-M799 VanDerWaalsContact C-N 3.34Å; T797-V800 WeakPolarHBondContact O-CB 3.33Å; T797-V800 PolarHBondContact O-N 2.82Å; T797-I801 HydrophobicContact CG2-CD1 4.24Å; T797-I801 WeakPolarHBondContact O-CG1 3.33Å; T797-I801 PolarHBondContact O-N 3.21Å
798	K	98.8	Very high	98.2	Very high	37 Å²	37	40.4 Å²	40.4	16%	0.161	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-44.8	170.7	-70.9	-175.1	-178.4	166	0	111.8	V524 I530 V794 E795 W796 V800 I801 K802	V524-K798 HydrophobicContact CG2-CB 4.07Å; V524-K798 HydrophobicContact CG2-CG 4.34Å; V524-K798 WeakPolarHBondContact O-CG 3.46Å; I530-K798 HydrophobicContact CD1-CG 3.96Å; I530-K798 HydrophobicContact CG1-CG 4.46Å; V794-K798 WeakPolarHBondContact O-CG 3.39Å; V794-K798 PolarHBondContact O-N 3.38Å; E795-K798 PolarHBondContact O-N 2.97Å; E795-K798 WeakPolarHBondContact OE1-CE 3.27Å; E795-K798 IonicContact OE1-NZ 2.73Å; E795-K798 PolarHBondContact OE1-NZ 2.9Å; W796-K798 PolarHBondContact O-N 3.29Å; K798-V800 VanDerWaalsContact C-N 3.28Å; K798-V800 PolarHBondContact O-N 2.88Å; K798-I801 PolarHBondContact O-N 3.1Å; K798-K802 WeakPolarHBondContact O-CG 3.03Å; K798-K802 PolarHBondContact O-N 3.47Å
799	M	98.8	Very high	98.2	Very high	27 Å²	27	36.5 Å²	36.5	13%	0.133	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-38.2	176	-168	178.9	-73.6	0	0	111.4	L686 E705 N706 F708 L789 E795 W796 T797 K802 N803	L686-M799 HydrophobicContact CD1-CB 4.21Å; L686-M799 HydrophobicContact CD1-CG 4.07Å; L686-M799 HydrophobicContact CD1-SD 3.65Å; L686-M799 HydrophobicContact CD2-CB 4.16Å; L686-M799 HydrophobicContact CD2-CG 3.74Å; L686-M799 HydrophobicContact CD2-SD 4.17Å; E705-M799 WeakPolarHBondContact O-CE 3.35Å; N706-M799 HydrophobicContact CB-CG 3.82Å; F708-M799 HydrophobicContact CE2-SD 4.37Å; F708-M799 HydrophobicContact CZ-SD 4.4Å; L789-M799 HydrophobicContact CD2-CE 3.5Å; L789-M799 VanDerWaalsContact CD2-CE 3.5Å; L789-M799 HydrophobicContact CD2-SD 3.63Å; E795-M799 PolarHBondContact O-N 2.85Å; W796-M799 WeakPolarHBondContact O-CB 3.4Å; W796-M799 PolarHBondContact O-N 2.82Å; T797-M799 VanDerWaalsContact C-N 3.34Å; M799-K802 PolarHBondContact O-N 3.42Å; M799-N803 PolarHBondContact O-N 2.84Å; M799-N803 VanDerWaalsContact O-N 3.08Å; M799-N803 PolarHBondContact O-ND2 2.52Å
800	V	98.9	Very high	98.2	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-48.2	172.9	163.9	0	0	0	0	111.6	V533 G684 L686 W796 T797 K798 K802 N803 I804	V533-V800 HydrophobicContact CG1-CG1 4.16Å; G684-V800 WeakPolarHBondContact O-CG1 3.4Å; L686-V800 HydrophobicContact CD1-CG2 4.47Å; L686-V800 HydrophobicContact CD2-CG2 3.83Å; L686-V800 HydrophobicContact CG-CG2 3.88Å; W796-V800 WeakPolarHBondContact O-CG2 3.48Å; W796-V800 PolarHBondContact O-N 2.71Å; T797-V800 WeakPolarHBondContact O-CB 3.33Å; T797-V800 PolarHBondContact O-N 2.82Å; K798-V800 VanDerWaalsContact C-N 3.28Å; K798-V800 PolarHBondContact O-N 2.88Å; V800-K802 VanDerWaalsContact C-N 3.33Å; V800-K802 PolarHBondContact O-N 3.14Å; V800-N803 WeakPolarHBondContact O-CB 3.49Å; V800-N803 PolarHBondContact O-N 2.81Å; V800-N803 VanDerWaalsContact O-N 3.16Å; V800-I804 HydrophobicContact CG1-CD1 3.91Å; V800-I804 WeakPolarHBondContact O-CG1 3.49Å; V800-I804 PolarHBondContact O-N 2.87Å
801	I	98.9	Very high	98.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-43.7	179.8	-70.2	161.3	0	0	0	110.9	L520 V524 F529 I530 V533 T797 K798 N803 I804 A805	L520-I801 HydrophobicContact CB-CG2 4.49Å; V524-I801 HydrophobicContact CB-CG2 4.39Å; V524-I801 HydrophobicContact CG2-CB 4.5Å; V524-I801 HydrophobicContact CG2-CG2 4.34Å; F529-I801 HydrophobicContact CD1-CD1 3.75Å; F529-I801 HydrophobicContact CD1-CG1 4.28Å; F529-I801 HydrophobicContact CE1-CD1 3.94Å; F529-I801 HydrophobicContact CE1-CG1 3.94Å; F529-I801 HydrophobicContact CE1-CG2 3.96Å; I530-I801 HydrophobicContact CG1-CD1 3.86Å; V533-I801 HydrophobicContact CG1-CG1 4.35Å; V533-I801 HydrophobicContact CG2-CD1 4.33Å; V533-I801 HydrophobicContact CG2-CG1 4.1Å; T797-I801 HydrophobicContact CG2-CD1 4.24Å; T797-I801 WeakPolarHBondContact O-CG1 3.33Å; T797-I801 PolarHBondContact O-N 3.21Å; K798-I801 PolarHBondContact O-N 3.1Å; I801-N803 VanDerWaalsContact C-N 3.33Å; I801-N803 PolarHBondContact O-N 3.1Å; I801-I804 PolarHBondContact O-N 2.78Å; I801-A805 WeakPolarHBondContact O-CB 3.5Å; I801-A805 PolarHBondContact O-N 3.25Å
802	K	98.8	Very high	98.3	Very high	70 Å²	70	26.3 Å²	26.3	30%	0.304	14%	0.138	S	C	.	.	H	α-helix	trans	-59.8	-42.3	175.6	-69.9	177.9	-179.7	-178.1	0	112.2	V524 N706 K798 M799 V800 A805 A806	V524-K802 HydrophobicContact CG2-CG 3.96Å; N706-K802 VanDerWaalsContact OD1-CD 3.27Å; N706-K802 WeakPolarHBondContact OD1-CD 3.19Å; N706-K802 PolarHBondContact OD1-NZ 2.96Å; K798-K802 WeakPolarHBondContact O-CG 3.03Å; K798-K802 PolarHBondContact O-N 3.47Å; M799-K802 PolarHBondContact O-N 3.42Å; V800-K802 VanDerWaalsContact C-N 3.33Å; V800-K802 PolarHBondContact O-N 3.14Å; K802-A805 PolarHBondContact O-N 3.09Å; K802-A806 WeakPolarHBondContact O-CB 3.46Å; K802-A806 PolarHBondContact O-N 3.33Å
803	N	98.8	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-46.1	175.8	-87.2	-93.6	0	0	0	111.6	M681 L686 N706 M799 V800 I801 A805 A806 T807	M681-N803 HydrophobicContact CE-CB 4.42Å; M681-N803 WeakPolarHBondContact CE-O 3.36Å; M681-N803 HydrophobicContact CG-CB 4.07Å; L686-N803 WeakPolarHBondContact CD2-ND2 3.47Å; N706-N803 PolarHBondContact O-ND2 3.13Å; M799-N803 PolarHBondContact O-N 2.84Å; M799-N803 VanDerWaalsContact O-N 3.08Å; M799-N803 PolarHBondContact O-ND2 2.52Å; V800-N803 WeakPolarHBondContact O-CB 3.49Å; V800-N803 PolarHBondContact O-N 2.81Å; V800-N803 VanDerWaalsContact O-N 3.16Å; I801-N803 VanDerWaalsContact C-N 3.33Å; I801-N803 PolarHBondContact O-N 3.1Å; N803-A805 VanDerWaalsContact C-N 3.32Å; N803-A805 PolarHBondContact O-N 2.81Å; N803-A806 PolarHBondContact O-N 3.48Å; N803-T807 WeakPolarHBondContact O-CG2 3.43Å; N803-T807 PolarHBondContact O-N 3.32Å
804	I	98.8	Very high	98.5	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-59	-46.9	175.6	-63.4	166.5	0	0	0	110	L498 I502 L517 L520 V800 I801 A806 T807	L498-I804 HydrophobicContact CD1-CD1 4.26Å; L498-I804 HydrophobicContact CD2-CD1 4.15Å; I502-I804 HydrophobicContact CD1-CG2 4.15Å; L517-I804 HydrophobicContact CD1-CG2 4.47Å; L520-I804 HydrophobicContact CD1-CG2 3.78Å; V800-I804 HydrophobicContact CG1-CD1 3.91Å; V800-I804 WeakPolarHBondContact O-CG1 3.49Å; V800-I804 PolarHBondContact O-N 2.87Å; I801-I804 PolarHBondContact O-N 2.78Å; I804-A806 PolarHBondContact O-N 3.28Å; I804-T807 PolarHBondContact O-N 3.47Å; I804-T807 VanDerWaalsContact O-N 3.13Å; I804-T807 PolarHBondContact O-OG1 3.21Å
805	A	98.6	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.7	-31.1	-179.5	0	0	0	0	0	113.4	L517 K518 L520 I801 K802 N803	L517-A805 CarbonylContact C-O 3.58Å; L517-A805 VanDerWaalsContact O-CA 3.3Å; L517-A805 WeakPolarHBondContact O-CA 3.5Å; L517-A805 WeakPolarHBondContact O-CB 3.5Å; K518-A805 WeakPolarHBondContact CA-O 3.44Å; K518-A805 WeakPolarHBondContact CG-O 3.36Å; K518-A805 PolarHBondContact N-O 2.95Å; L520-A805 HydrophobicContact CB-CB 3.99Å; I801-A805 WeakPolarHBondContact O-CB 3.5Å; I801-A805 PolarHBondContact O-N 3.25Å; K802-A805 PolarHBondContact O-N 3.09Å; N803-A805 VanDerWaalsContact C-N 3.32Å; N803-A805 PolarHBondContact O-N 2.81Å
806	A	98.3	Very high	98.5	Very high	7 Å²	7	14.1 Å²	14.1	6%	0.058	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-83.7	-4.2	179.8	0	0	0	0	0	114.4	M681 E701 A702 K802 N803 I804 G808	M681-A806 HydrophobicContact CE-CB 3.77Å; E701-A806 HydrophobicContact CB-CB 4.11Å; E701-A806 WeakPolarHBondContact O-CB 3.19Å; A702-A806 HydrophobicContact CB-CB 3.85Å; K802-A806 WeakPolarHBondContact O-CB 3.46Å; K802-A806 PolarHBondContact O-N 3.33Å; N803-A806 PolarHBondContact O-N 3.48Å; I804-A806 PolarHBondContact O-N 3.28Å; A806-G808 VanDerWaalsContact C-N 3.29Å; A806-G808 PolarHBondContact O-N 3.14Å
807	T	97.9	Very high	98.5	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.012	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-78.1	-6.2	-172.4	58.6	0	0	0	0	115.8	L517 M681 L682 N803 I804 K809 F810	L517-T807 VanDerWaalsContact CD1-OG1 3.27Å; L517-T807 WeakPolarHBondContact CD1-OG1 3.22Å; M681-T807 HydrophobicContact CB-CG2 3.85Å; M681-T807 HydrophobicContact CE-CG2 4.15Å; M681-T807 HydrophobicContact CG-CG2 3.43Å; M681-T807 VanDerWaalsContact CG-CG2 3.43Å; M681-T807 HydrophobicContact SD-CG2 3.7Å; L682-T807 HydrophobicContact CB-CG2 4.2Å; L682-T807 VanDerWaalsContact CD1-OG1 3.28Å; L682-T807 WeakPolarHBondContact CD1-OG1 3.17Å; N803-T807 WeakPolarHBondContact O-CG2 3.43Å; N803-T807 PolarHBondContact O-N 3.32Å; I804-T807 PolarHBondContact O-N 3.47Å; I804-T807 VanDerWaalsContact O-N 3.13Å; I804-T807 PolarHBondContact O-OG1 3.21Å; T807-K809 VanDerWaalsContact C-N 3.26Å; T807-K809 PolarHBondContact O-N 3.26Å; T807-K809 VanDerWaalsContact O-N 3.13Å; T807-F810 PolarHBondContact O-N 2.83Å
808	G	97.6	Very high	98.5	Very high	6 Å²	6	20.6 Å²	20.6	6%	0.062	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-53.4	-38.1	-173.9	0	0	0	0	0	114.8	L514 A806 F810 S811	L514-G808 VanDerWaalsContact O-CA 3.23Å; L514-G808 WeakPolarHBondContact O-CA 3.45Å; A806-G808 VanDerWaalsContact C-N 3.29Å; A806-G808 PolarHBondContact O-N 3.14Å; G808-F810 PolarHBondContact O-N 3.39Å; G808-S811 PolarHBondContact O-N 2.83Å
809	K	98.1	Very high	98.5	Very high	51 Å²	51	18.9 Å²	18.9	22%	0.222	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-59.5	-28.4	177.4	-178	177.5	176.7	-176.6	0	112.8	E697 E700 E701 T807 S811 R814	E697-K809 VanDerWaalsContact OE1-CE 3.28Å; E697-K809 WeakPolarHBondContact OE1-CE 3.33Å; E697-K809 IonicContact OE1-NZ 2.69Å; E697-K809 PolarHBondContact OE1-NZ 3.32Å; E697-K809 VanDerWaalsContact OE1-NZ 3.16Å; E700-K809 IonicContact OE2-NZ 3.11Å; E701-K809 HydrophobicContact CG-CB 4.03Å; E701-K809 HydrophobicContact CG-CD 3.66Å; E701-K809 VanDerWaalsContact OE1-CD 3.32Å; E701-K809 WeakPolarHBondContact OE1-CD 3.49Å; E701-K809 IonicContact OE1-NZ 3.71Å; T807-K809 VanDerWaalsContact C-N 3.26Å; T807-K809 PolarHBondContact O-N 3.26Å; T807-K809 VanDerWaalsContact O-N 3.13Å; K809-S811 VanDerWaalsContact C-N 3.34Å; K809-S811 PolarHBondContact O-N 3.2Å; K809-R814 VanDerWaalsContact O-CZ 3.25Å; K809-R814 PolarHBondContact O-NE 3.46Å; K809-R814 PolarHBondContact O-NH2 2.79Å
810	F	98.4	Very high	98.5	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-91.7	12.5	-171.3	-51.9	-62.3	0	0	0	114.1	G484 I485 M678 M681 E697 M698 E701 T807 G808	G484-F810 CarbonylContact C-O 3.54Å; G484-F810 WeakPolarHBondContact CA-O 3.29Å; I485-F810 PolarHBondContact N-O 2.88Å; M678-F810 HydrophobicContact CB-CB 4.09Å; M678-F810 HydrophobicContact CE-CD1 3.83Å; M678-F810 HydrophobicContact CE-CE1 4.5Å; M678-F810 HydrophobicContact CG-CB 3.85Å; M678-F810 HydrophobicContact CG-CD1 4.05Å; M678-F810 HydrophobicContact CG-CG 3.93Å; M678-F810 HydrophobicContact SD-CB 3.95Å; M678-F810 HydrophobicContact SD-CD1 4.15Å; M678-F810 HydrophobicContact SD-CG 4.32Å; M681-F810 HydrophobicContact CE-CE2 4.35Å; M681-F810 HydrophobicContact SD-CD2 4.14Å; M681-F810 HydrophobicContact SD-CE2 3.85Å; E697-F810 HydrophobicContact CB-CE1 4.07Å; E697-F810 HydrophobicContact CB-CZ 4.3Å; M698-F810 HydrophobicContact CB-CE2 4.39Å; M698-F810 HydrophobicContact CB-CZ 4.19Å; M698-F810 HydrophobicContact CG-CD2 4.43Å; M698-F810 HydrophobicContact CG-CE1 4.15Å; M698-F810 HydrophobicContact CG-CE2 3.71Å; M698-F810 HydrophobicContact CG-CZ 3.57Å; E701-F810 HydrophobicContact CB-CE2 4.48Å; E701-F810 HydrophobicContact CG-CE2 4.36Å; E701-F810 HydrophobicContact CG-CZ 4.16Å; T807-F810 PolarHBondContact O-N 2.83Å; G808-F810 PolarHBondContact O-N 3.39Å
811	S	98.7	Very high	98.4	Very high	5 Å²	5	20.4 Å²	20.4	4%	0.035	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-66.8	133.3	167.9	179.7	0	0	0	0	110.9	I485 G808 K809 D813 R814 T815	I485-S811 WeakPolarHBondContact O-CA 3.39Å; G808-S811 PolarHBondContact O-N 2.83Å; K809-S811 VanDerWaalsContact C-N 3.34Å; K809-S811 PolarHBondContact O-N 3.2Å; S811-D813 PolarHBondContact O-N 2.86Å; S811-D813 WeakPolarHBondContact OG-CB 3.45Å; S811-D813 PolarHBondContact OG-N 3Å; S811-D813 VanDerWaalsContact OG-N 3.14Å; S811-R814 WeakPolarHBondContact O-CB 3.43Å; S811-R814 PolarHBondContact O-N 3.34Å; S811-R814 VanDerWaalsContact O-N 3.15Å; S811-T815 PolarHBondContact O-N 3.45Å
812	S	98.6	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-18.1	171.3	53.7	0	0	0	0	112.7	S147 I485 T486 R814 T815 I816	S147-S812 VanDerWaalsContact OG-C 3.22Å; S147-S812 WeakPolarHBondContact OG-CB 3.34Å; S147-S812 PolarHBondContact OG-OG 3.46Å; I485-S812 VanDerWaalsContact C-OG 3.26Å; I485-S812 PolarHBondContact O-N 3.38Å; I485-S812 PolarHBondContact O-OG 3.03Å; T486-S812 WeakPolarHBondContact CA-OG 3.27Å; T486-S812 PolarHBondContact N-OG 3.28Å; T486-S812 VanDerWaalsContact N-OG 3.17Å; S812-R814 VanDerWaalsContact C-N 3.34Å; S812-T815 PolarHBondContact O-N 3.26Å; S812-I816 WeakPolarHBondContact O-CB 3.38Å; S812-I816 WeakPolarHBondContact O-CG1 3.21Å; S812-I816 PolarHBondContact O-N 3.46Å
813	D	98.4	Very high	98.3	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.027	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-39.5	173.9	-59.9	-19	0	0	0	111	S147 L151 R488 S811 I816 R817	S147-D813 WeakPolarHBondContact CA-OD1 3.48Å; S147-D813 WeakPolarHBondContact CB-OD1 3.25Å; S147-D813 PolarHBondContact OG-N 2.85Å; S147-D813 PolarHBondContact OG-OD1 3.46Å; L151-D813 HydrophobicContact CD1-CB 4.32Å; L151-D813 HydrophobicContact CD2-CB 4.48Å; R488-D813 IonicContact CZ-OD1 3.95Å; R488-D813 IonicContact CZ-OD2 3.71Å; R488-D813 VanDerWaalsContact NH1-CG 3.28Å; R488-D813 IonicContact NH1-OD1 3.6Å; R488-D813 PolarHBondContact NH1-OD1 3.33Å; R488-D813 IonicContact NH1-OD2 3.03Å; R488-D813 PolarHBondContact NH1-OD2 2.86Å; R488-D813 IonicContact NH2-OD1 3.36Å; R488-D813 PolarHBondContact NH2-OD1 2.92Å; R488-D813 IonicContact NH2-OD2 2.8Å; S811-D813 PolarHBondContact O-N 2.86Å; S811-D813 WeakPolarHBondContact OG-CB 3.45Å; S811-D813 PolarHBondContact OG-N 3Å; S811-D813 VanDerWaalsContact OG-N 3.14Å; D813-I816 PolarHBondContact O-N 3.48Å; D813-R817 WeakPolarHBondContact O-CB 3.46Å; D813-R817 VanDerWaalsContact O-CG 3.25Å; D813-R817 WeakPolarHBondContact O-CG 3.47Å; D813-R817 PolarHBondContact O-N 2.97Å
814	R	98.3	Very high	98.3	Very high	47 Å²	47	22.7 Å²	22.7	18%	0.177	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-49.3	175.1	-178	-82.7	-54.2	147.6	5.4	109.9	T482 N483 K809 S811 S812 I816 R817 E818	T482-R814 PolarHBondContact O-NH1 2.84Å; T482-R814 PolarHBondContact O-NH2 3.07Å; T482-R814 VanDerWaalsContact O-NH2 3.08Å; N483-R814 PolarHBondContact O-NH2 3.36Å; K809-R814 VanDerWaalsContact O-CZ 3.25Å; K809-R814 PolarHBondContact O-NE 3.46Å; K809-R814 PolarHBondContact O-NH2 2.79Å; S811-R814 WeakPolarHBondContact O-CB 3.43Å; S811-R814 PolarHBondContact O-N 3.34Å; S811-R814 VanDerWaalsContact O-N 3.15Å; S812-R814 VanDerWaalsContact C-N 3.34Å; R814-I816 PolarHBondContact O-N 3.44Å; R814-R817 PolarHBondContact O-N 3.21Å; R814-E818 VanDerWaalsContact CD-CD 3.45Å; R814-E818 WeakPolarHBondContact CD-OE1 3.43Å; R814-E818 IonicContact CZ-OE2 3.13Å; R814-E818 IonicContact NE-OE1 2.82Å; R814-E818 IonicContact NH1-OE1 3.18Å; R814-E818 IonicContact NH1-OE2 2.8Å; R814-E818 PolarHBondContact NH1-OE2 3.32Å; R814-E818 WeakPolarHBondContact O-CG 3.44Å; R814-E818 PolarHBondContact O-N 3.22Å; R814-E818 VanDerWaalsContact O-N 3.08Å
815	T	98.5	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-55	-49.4	175.7	-50	0	0	0	0	111.5	F144 T482 G484 S811 S812 R817 E818 Y819	F144-T815 HydrophobicContact CE1-CG2 3.73Å; F144-T815 HydrophobicContact CZ-CG2 3.62Å; T482-T815 VanDerWaalsContact O-CG2 3.31Å; T482-T815 WeakPolarHBondContact O-CG2 3.5Å; T482-T815 PolarHBondContact O-OG1 3.3Å; G484-T815 PolarHBondContact N-OG1 3.04Å; S811-T815 PolarHBondContact O-N 3.45Å; S812-T815 PolarHBondContact O-N 3.26Å; T815-R817 PolarHBondContact O-N 2.85Å; T815-E818 PolarHBondContact O-N 3.43Å; T815-Y819 HydrophobicContact CG2-CD2 3.82Å; T815-Y819 HydrophobicContact CG2-CE2 3.7Å; T815-Y819 VanDerWaalsContact O-CD2 3.31Å; T815-Y819 WeakPolarHBondContact O-CD2 3.44Å; T815-Y819 PolarHBondContact O-N 2.85Å
816	I	98.6	Very high	98.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-34.2	-179.1	-70.4	-55.9	0	0	0	112.5	F144 M148 L151 L153 S812 D813 R814 Y819 A820 W824	F144-I816 HydrophobicContact CB-CD1 3.83Å; F144-I816 HydrophobicContact CB-CG1 4.36Å; F144-I816 HydrophobicContact CD1-CD1 3.8Å; F144-I816 HydrophobicContact CD1-CG1 4.03Å; F144-I816 HydrophobicContact CD2-CD1 3.89Å; F144-I816 HydrophobicContact CE1-CD1 4.28Å; F144-I816 HydrophobicContact CE2-CD1 4.37Å; F144-I816 HydrophobicContact CG-CD1 3.58Å; F144-I816 HydrophobicContact CG-CG1 4.23Å; M148-I816 HydrophobicContact CG-CD1 4.11Å; M148-I816 HydrophobicContact CG-CG1 4.28Å; M148-I816 HydrophobicContact CG-CG2 3.7Å; L151-I816 HydrophobicContact CD1-CB 3.89Å; L151-I816 HydrophobicContact CD1-CG2 3.56Å; L153-I816 HydrophobicContact CD1-CG2 3.56Å; S812-I816 WeakPolarHBondContact O-CB 3.38Å; S812-I816 WeakPolarHBondContact O-CG1 3.21Å; S812-I816 PolarHBondContact O-N 3.46Å; D813-I816 PolarHBondContact O-N 3.48Å; R814-I816 PolarHBondContact O-N 3.44Å; I816-Y819 PolarHBondContact O-N 2.77Å; I816-A820 WeakPolarHBondContact O-CB 3.28Å; I816-A820 PolarHBondContact O-N 3.25Å; I816-W824 HydrophobicContact CD1-CH2 3.95Å; I816-W824 HydrophobicContact CD1-CZ3 4.4Å; I816-W824 HydrophobicContact CG2-CZ3 4.42Å
817	R	98.3	Very high	97.9	Very high	107 Å²	107	32.5 Å²	32.5	40%	0.404	17%	0.168	S	C	.	.	H	α-helix	trans	-59.7	-46.8	171.9	-73.7	180	-173.1	-111.2	1.5	110.9	L151 D813 R814 T815 A820 T821 P828	L151-R817 HydrophobicContact CD1-CG 3.89Å; L151-R817 HydrophobicContact CD2-CG 4.09Å; D813-R817 WeakPolarHBondContact O-CB 3.46Å; D813-R817 VanDerWaalsContact O-CG 3.25Å; D813-R817 WeakPolarHBondContact O-CG 3.47Å; D813-R817 PolarHBondContact O-N 2.97Å; R814-R817 PolarHBondContact O-N 3.21Å; T815-R817 PolarHBondContact O-N 2.85Å; R817-A820 WeakPolarHBondContact O-CB 3.35Å; R817-A820 PolarHBondContact O-N 3.05Å; R817-T821 PolarHBondContact O-N 3.32Å; R817-T821 PolarHBondContact O-OG1 3.3Å; R817-P828 HydrophobicContact CB-CG 4.39Å; R817-P828 HydrophobicContact CG-CB 4.39Å; R817-P828 HydrophobicContact CG-CG 3.9Å
818	E	98.4	Very high	97.6	Very high	55 Å²	55	33.5 Å²	33.5	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-62.1	-44.4	177.2	-65.1	167.9	170.2	0	0	112	K481 R814 T815 A820 E822	K481-E818 HydrophobicContact CD-CB 3.48Å; K481-E818 VanDerWaalsContact CD-CB 3.48Å; K481-E818 VanDerWaalsContact CE-C 3.45Å; K481-E818 VanDerWaalsContact CE-O 3.3Å; K481-E818 WeakPolarHBondContact CE-O 3.4Å; R814-E818 VanDerWaalsContact CD-CD 3.45Å; R814-E818 WeakPolarHBondContact CD-OE1 3.43Å; R814-E818 IonicContact CZ-OE2 3.13Å; R814-E818 IonicContact NE-OE1 2.82Å; R814-E818 IonicContact NH1-OE1 3.18Å; R814-E818 IonicContact NH1-OE2 2.8Å; R814-E818 PolarHBondContact NH1-OE2 3.32Å; R814-E818 WeakPolarHBondContact O-CG 3.44Å; R814-E818 PolarHBondContact O-N 3.22Å; R814-E818 VanDerWaalsContact O-N 3.08Å; T815-E818 PolarHBondContact O-N 3.43Å; E818-A820 VanDerWaalsContact C-N 3.32Å; E818-A820 PolarHBondContact O-N 3.37Å; E818-E822 VanDerWaalsContact O-CB 3.23Å; E818-E822 WeakPolarHBondContact O-CB 3.32Å; E818-E822 WeakPolarHBondContact O-CG 3.4Å; E818-E822 PolarHBondContact O-N 3.06Å
819	Y	98.7	Very high	97.2	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-43.1	174.1	-89.1	-83.5	0	0	0	111.9	F144 T374 N452 K481 T815 I816 V823 W824	F144-Y819 HydrophobicContact CE2-CE2 4.15Å; F144-Y819 HydrophobicContact CZ-CE2 4.12Å; T374-Y819 WeakPolarHBondContact CG2-OH 3.42Å; T374-Y819 PolarHBondContact OG1-OH 2.79Å; N452-Y819 PolarHBondContact ND2-OH 3.49Å; N452-Y819 WeakPolarHBondContact OD1-CE1 3.31Å; N452-Y819 PolarHBondContact OD1-OH 2.99Å; K481-Y819 HydrophobicContact CB-CD2 3.91Å; K481-Y819 HydrophobicContact CB-CE1 4.45Å; K481-Y819 HydrophobicContact CB-CE2 3.33Å; K481-Y819 HydrophobicContact CD-CD2 4.04Å; K481-Y819 HydrophobicContact CD-CE2 4.32Å; K481-Y819 HydrophobicContact CD-CG 4.26Å; K481-Y819 HydrophobicContact CG-CD1 4.25Å; K481-Y819 HydrophobicContact CG-CD2 3.86Å; K481-Y819 HydrophobicContact CG-CE1 4.07Å; K481-Y819 HydrophobicContact CG-CE2 3.65Å; K481-Y819 HydrophobicContact CG-CG 4.17Å; T815-Y819 HydrophobicContact CG2-CD2 3.82Å; T815-Y819 HydrophobicContact CG2-CE2 3.7Å; T815-Y819 VanDerWaalsContact O-CD2 3.31Å; T815-Y819 WeakPolarHBondContact O-CD2 3.44Å; T815-Y819 PolarHBondContact O-N 2.85Å; I816-Y819 PolarHBondContact O-N 2.77Å; Y819-V823 HydrophobicContact CD1-CB 4.44Å; Y819-V823 HydrophobicContact CD1-CG2 4.19Å; Y819-V823 WeakPolarHBondContact O-CA 3.5Å; Y819-V823 VanDerWaalsContact O-CB 3.32Å; Y819-V823 WeakPolarHBondContact O-CB 3.39Å; Y819-V823 PolarHBondContact O-N 2.86Å; Y819-V823 VanDerWaalsContact O-N 3.1Å; Y819-W824 HydrophobicContact CD1-CH2 4.41Å; Y819-W824 AromaticContact CD1-CZ2 3.75Å; Y819-W824 HydrophobicContact CD1-CZ2 3.75Å; Y819-W824 HydrophobicContact CG-CH2 4.15Å; Y819-W824 AromaticContact CG-CZ2 3.95Å; Y819-W824 HydrophobicContact CG-CZ2 3.95Å; Y819-W824 PolarHBondContact O-N 3.43Å
820	A	98.3	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-60.9	-48.6	-178.1	0	0	0	0	0	111.6	L153 I816 R817 E818 W824 G825 V826 P828	L153-A820 HydrophobicContact CD1-CB 4.01Å; L153-A820 HydrophobicContact CD2-CB 4.46Å; I816-A820 WeakPolarHBondContact O-CB 3.28Å; I816-A820 PolarHBondContact O-N 3.25Å; R817-A820 WeakPolarHBondContact O-CB 3.35Å; R817-A820 PolarHBondContact O-N 3.05Å; E818-A820 VanDerWaalsContact C-N 3.32Å; E818-A820 PolarHBondContact O-N 3.37Å; A820-W824 HydrophobicContact CB-CE3 4.22Å; A820-G825 WeakPolarHBondContact O-CA 3.39Å; A820-G825 PolarHBondContact O-N 3.22Å; A820-V826 CarbonylContact C-O 3.42Å; A820-V826 VanDerWaalsContact C-O 3.23Å; A820-V826 HydrophobicContact CB-CG2 3.8Å; A820-V826 WeakPolarHBondContact CB-O 3.36Å; A820-V826 PolarHBondContact O-N 3.41Å; A820-V826 VanDerWaalsContact O-O 3.12Å; A820-P828 HydrophobicContact CB-CG 4.15Å
821	T	97.6	Very high	95.9	Very high	65 Å²	65	39.6 Å²	39.6	40%	0.399	21%	0.208	S	C	.	.	I	π-helix	trans	-84.3	-36.4	-174.3	55.5	0	0	0	0	113.5	R817	R817-T821 PolarHBondContact O-N 3.32Å; R817-T821 PolarHBondContact O-OG1 3.3Å
822	E	98.1	Very high	95.4	Very high	106 Å²	106	45.2 Å²	45.2	50%	0.495	23%	0.232	S	C	.	.	I	π-helix	trans	-98.9	-15.6	-171.6	-57.8	171	-153.4	0	0	114.2	Q479 K481 E818	Q479-E822 PolarHBondContact NE2-O 3.37Å; K481-E822 IonicContact NZ-OE2 3.97Å; K481-E822 PolarHBondContact NZ-OE2 2.79Å; E818-E822 VanDerWaalsContact O-CB 3.23Å; E818-E822 WeakPolarHBondContact O-CB 3.32Å; E818-E822 WeakPolarHBondContact O-CG 3.4Å; E818-E822 PolarHBondContact O-N 3.06Å
823	V	98.3	Very high	94.9	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.067	23%	0.233	C	C	.	.	I	π-helix	trans	-121.4	-55.6	-178.3	-174.8	0	0	0	0	110.9	A372 H449 A450 Y819	A372-V823 HydrophobicContact CB-CG1 3.41Å; A372-V823 VanDerWaalsContact CB-CG1 3.41Å; H449-V823 PolarHBondContact NE2-O 3.33Å; A450-V823 HydrophobicContact CB-CG1 3.96Å; Y819-V823 HydrophobicContact CD1-CB 4.44Å; Y819-V823 HydrophobicContact CD1-CG2 4.19Å; Y819-V823 WeakPolarHBondContact O-CA 3.5Å; Y819-V823 VanDerWaalsContact O-CB 3.32Å; Y819-V823 WeakPolarHBondContact O-CB 3.39Å; Y819-V823 PolarHBondContact O-N 2.86Å; Y819-V823 VanDerWaalsContact O-N 3.1Å
824	W	98.5	Very high	94.2	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.011	24%	0.235	C	C	.	.	I	π-helix	trans	-85.2	-20.3	-170.9	-55.9	-29.1	0	0	0	113.6	K81 V83 M148 A333 Q335 I816 Y819 A820 V826	K81-W824 WeakPolarHBondContact CD-O 3.47Å; K81-W824 WeakPolarHBondContact CE-O 3.46Å; K81-W824 PolarHBondContact NZ-O 3.22Å; V83-W824 HydrophobicContact CB-CE3 4.34Å; V83-W824 HydrophobicContact CG1-CD2 3.69Å; V83-W824 HydrophobicContact CG1-CE3 3.73Å; V83-W824 HydrophobicContact CG1-CG 4.3Å; V83-W824 HydrophobicContact CG1-CH2 4.04Å; V83-W824 HydrophobicContact CG1-CZ2 4Å; V83-W824 HydrophobicContact CG1-CZ3 3.91Å; V83-W824 HydrophobicContact CG2-CB 4.11Å; V83-W824 HydrophobicContact CG2-CD2 3.95Å; V83-W824 HydrophobicContact CG2-CE3 3.74Å; V83-W824 HydrophobicContact CG2-CG 4.12Å; V83-W824 HydrophobicContact CG2-CZ3 4.48Å; M148-W824 HydrophobicContact SD-CH2 4.08Å; M148-W824 HydrophobicContact SD-CZ3 4.15Å; A333-W824 HydrophobicContact CB-CB 4.06Å; A333-W824 HydrophobicContact CB-CG 4.17Å; Q335-W824 HydrophobicContact CB-CZ2 4.22Å; Q335-W824 HydrophobicContact CG-CZ2 4.24Å; I816-W824 HydrophobicContact CD1-CH2 3.95Å; I816-W824 HydrophobicContact CD1-CZ3 4.4Å; I816-W824 HydrophobicContact CG2-CZ3 4.42Å; Y819-W824 HydrophobicContact CD1-CH2 4.41Å; Y819-W824 AromaticContact CD1-CZ2 3.75Å; Y819-W824 HydrophobicContact CD1-CZ2 3.75Å; Y819-W824 HydrophobicContact CG-CH2 4.15Å; Y819-W824 AromaticContact CG-CZ2 3.95Å; Y819-W824 HydrophobicContact CG-CZ2 3.95Å; Y819-W824 PolarHBondContact O-N 3.43Å; A820-W824 HydrophobicContact CB-CE3 4.22Å; W824-V826 HydrophobicContact CB-CG2 4.02Å; W824-V826 HydrophobicContact CE3-CG2 4.36Å
825	G	96.8	Very high	93.3	Very high	55 Å²	55	44.5 Å²	44.5	57%	0.567	23%	0.234	S	C	*	.			trans	63.1	47.1	-175.2	0	0	0	0	0	111.9	A820	A820-G825 WeakPolarHBondContact O-CA 3.39Å; A820-G825 PolarHBondContact O-N 3.22Å
826	V	96	Very high	92.2	Very high	16 Å²	16	47 Å²	47	10%	0.097	25%	0.249	C	C	.	.			trans	-130.1	140	175.3	-59.8	0	0	0	0	110	K81 V83 L153 A820 W824	K81-V826 HydrophobicContact CB-CG1 3.8Å; K81-V826 HydrophobicContact CD-CG1 3.86Å; K81-V826 HydrophobicContact CG-CG1 3.84Å; V83-V826 HydrophobicContact CG2-CG1 4.38Å; V83-V826 HydrophobicContact CG2-CG2 4Å; L153-V826 HydrophobicContact CD2-CG2 4.01Å; A820-V826 CarbonylContact C-O 3.42Å; A820-V826 VanDerWaalsContact C-O 3.23Å; A820-V826 HydrophobicContact CB-CG2 3.8Å; A820-V826 WeakPolarHBondContact CB-O 3.36Å; A820-V826 PolarHBondContact O-N 3.41Å; A820-V826 VanDerWaalsContact O-O 3.12Å; W824-V826 HydrophobicContact CB-CG2 4.02Å; W824-V826 HydrophobicContact CE3-CG2 4.36Å
827	E	93.1	Very high	91.3	Very high	146 Å²	146	52.2 Å²	52.2	68%	0.682	29%	0.286	S	S	*	.			trans	-94.3	125.8	-178	-68.4	-59.7	151	0	0	111.6
828	P	93.4	Very high	90.4	Very high	22 Å²	22	51.4 Å²	51.4	14%	0.143	29%	0.287	C	S	.	.			trans	-57.3	148.9	167.3	-23.7	34.4	0	0	0	112.3	L151 L153 R817 A820	L151-P828 HydrophobicContact CB-CB 4.28Å; L151-P828 HydrophobicContact CD2-CB 4.39Å; L153-P828 HydrophobicContact CD2-CG 4.49Å; R817-P828 HydrophobicContact CB-CG 4.39Å; R817-P828 HydrophobicContact CG-CB 4.39Å; R817-P828 HydrophobicContact CG-CG 3.9Å; A820-P828 HydrophobicContact CB-CG 4.15Å
829	T	89.1	Confident	89.5	Confident	16 Å²	16	52.9 Å²	52.9	10%	0.098	30%	0.302	C	S	.	.			trans	-141.7	141.9	-179.4	-173.3	0	0	0	0	112.9	L151 L831	L151-T829 CarbonylContact C-O 3.46Å; L151-T829 PolarHBondContact O-N 3.14Å; T829-L831 VanDerWaalsContact C-N 3.32Å; T829-L831 HydrophobicContact CG2-CB 4.36Å; T829-L831 WeakPolarHBondContact OG1-CB 3.5Å; T829-L831 VanDerWaalsContact OG1-CG 3.25Å; T829-L831 WeakPolarHBondContact OG1-CG 3.5Å; T829-L831 PolarHBondContact OG1-N 3.33Å; T829-L831 VanDerWaalsContact OG1-N 3.16Å
830	D	84.3	Confident	88.4	Confident	124 Å²	124	59.6 Å²	59.6	66%	0.663	33%	0.327	S	S	*	.			trans	-91.7	6	171.5	-66	-44.1	0	0	0	112.5	K832	D830-K832 PolarHBondContact O-N 3.24Å; D830-K832 VanDerWaalsContact O-N 3.14Å
831	L	85	Confident	87.5	Confident	47 Å²	47	65.6 Å²	65.6	25%	0.246	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60.3	117.6	176.9	-74.1	173.6	0	0	0	110.3	T829 T846 A849 L850 M853	T829-L831 VanDerWaalsContact C-N 3.32Å; T829-L831 HydrophobicContact CG2-CB 4.36Å; T829-L831 WeakPolarHBondContact OG1-CB 3.5Å; T829-L831 VanDerWaalsContact OG1-CG 3.25Å; T829-L831 WeakPolarHBondContact OG1-CG 3.5Å; T829-L831 PolarHBondContact OG1-N 3.33Å; T829-L831 VanDerWaalsContact OG1-N 3.16Å; L831-T846 HydrophobicContact CB-CG2 4.44Å; L831-A849 HydrophobicContact CD1-CB 4.39Å; L831-A849 HydrophobicContact CD2-CB 4.14Å; L831-L850 HydrophobicContact CD1-CB 3.88Å; L831-L850 HydrophobicContact CD1-CD1 4.04Å; L831-M853 HydrophobicContact CD1-SD 3.72Å; L831-M853 HydrophobicContact CG-SD 4.09Å
832	K	87.1	Confident	86.6	Confident	124 Å²	124	63.3 Å²	63.3	54%	0.539	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-79.9	125.2	175.4	-67	-175.2	177.6	178.2	0	109.8	D830	D830-K832 PolarHBondContact O-N 3.24Å; D830-K832 VanDerWaalsContact O-N 3.14Å
833	I	87.6	Confident	85.6	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-69	133.2	170.2	-60.1	-179.7	0	0	0	107.9	R70 T71 F74 N236 N237	R70-I833 HydrophobicContact CB-CG2 4.22Å; T71-I833 HydrophobicContact CG2-CD1 3.99Å; F74-I833 HydrophobicContact CB-CD1 4.4Å; F74-I833 HydrophobicContact CD1-CD1 3.9Å; F74-I833 HydrophobicContact CD1-CG1 4.4Å; F74-I833 HydrophobicContact CG-CD1 4.26Å; N236-I833 PolarHBondContact O-N 3.41Å; N237-I833 HydrophobicContact CB-CB 4.49Å; N237-I833 WeakPolarHBondContact CB-O 3.44Å; N237-I833 PolarHBondContact ND2-O 3.3Å
834	P	83.6	Confident	84.7	Confident	10 Å²	10	62.8 Å²	62.8	7%	0.065	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-56.3	129.7	179.7	-28.1	35.1	0	0	0	112	R70 E838 A842 T846	R70-P834 WeakPolarHBondContact CD-O 3.45Å; R70-P834 PolarHBondContact NH1-O 3.47Å; P834-E838 HydrophobicContact CB-CB 4.3Å; P834-A842 HydrophobicContact CB-CB 3.81Å; P834-A842 HydrophobicContact CG-CB 3.62Å; P834-T846 WeakPolarHBondContact CD-OG1 3.13Å
835	P	80.9	Confident	83.8	Confident	23 Å²	23	69.2 Å²	69.2	15%	0.149	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-65.6	159.4	-178.5	29.1	-36.1	0	0	0	112	R70 S837 E838	R70-P835 PolarHBondContact NH1-O 3.17Å; P835-S837 PolarHBondContact O-N 2.93Å; P835-E838 WeakPolarHBondContact CD-OE1 2.92Å; P835-E838 HydrophobicContact CG-CG 4.14Å; P835-E838 PolarHBondContact O-N 2.87Å
836	P	75	Confident	83	Confident	51 Å²	51	67.4 Å²	67.4	33%	0.331	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-23.4	-179.4	-31.6	39.2	0	0	0	117.2	G66 R67 R70	G66-P836 VanDerWaalsContact C-CG 3.43Å; R67-P836 HydrophobicContact CG-CG 3.89Å; R70-P836 VanDerWaalsContact NH2-CA 3.35Å; R70-P836 PolarHBondContact NH2-O 3.45Å
837	S	78.5	Confident	82.3	Confident	110 Å²	110	67.2 Å²	67.2	77%	0.769	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-21.8	177.9	47.3	0	0	0	0	114.3	P835	P835-S837 PolarHBondContact O-N 2.93Å
838	E	79.9	Confident	81.7	Confident	90 Å²	90	66.2 Å²	66.2	42%	0.421	34%	0.34	S	S	.	.	S	Bend	trans	-90	153.8	-178.2	-72.9	178.9	-153.2	0	0	112.5	R70 P834 P835	R70-E838 VanDerWaalsContact CZ-O 3.26Å; R70-E838 PolarHBondContact NH1-O 3.46Å; R70-E838 PolarHBondContact NH2-O 3.37Å; P834-E838 HydrophobicContact CB-CB 4.3Å; P835-E838 WeakPolarHBondContact CD-OE1 2.92Å; P835-E838 HydrophobicContact CG-CG 4.14Å; P835-E838 PolarHBondContact O-N 2.87Å
839	P	80.6	Confident	81.2	Confident	87 Å²	87	66.9 Å²	66.9	57%	0.565	35%	0.347	S	S	*	.			trans	-57.9	156.6	178.3	-22.2	33.1	0	0	0	113.6	E841 A842	P839-E841 VanDerWaalsContact C-N 3.25Å; P839-E841 WeakPolarHBondContact CB-OE2 3.34Å; P839-E841 PolarHBondContact O-N 3.31Å; P839-A842 WeakPolarHBondContact O-CB 3.26Å; P839-A842 PolarHBondContact O-N 3.14Å
840	R	74.6	Confident	80.8	Confident	142 Å²	142	68.2 Å²	68.2	54%	0.536	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-31.1	-178.3	-177.3	-179.9	174.2	-179.7	-1.2	111.8	E77 A842 I843	E77-R840 IonicContact OE1-CZ 2.84Å; E77-R840 IonicContact OE1-NE 2.78Å; E77-R840 IonicContact OE1-NH2 3.34Å; E77-R840 PolarHBondContact OE1-NH2 3.12Å; R840-A842 PolarHBondContact O-N 2.99Å; R840-A842 VanDerWaalsContact O-N 3.15Å; R840-I843 HydrophobicContact CG-CD1 4.32Å; R840-I843 VanDerWaalsContact O-CB 3.25Å; R840-I843 WeakPolarHBondContact O-CB 3.19Å; R840-I843 WeakPolarHBondContact O-CG1 3.24Å; R840-I843 PolarHBondContact O-N 2.69Å
841	E	80.4	Confident	80.6	Confident	125 Å²	125	69 Å²	69	58%	0.584	35%	0.351	S	S	*	.	H	α-helix	trans	-57.1	-28.3	179.9	-64.1	75.3	-166.7	0	0	112.1	P839 I843 E844 E845	P839-E841 VanDerWaalsContact C-N 3.25Å; P839-E841 WeakPolarHBondContact CB-OE2 3.34Å; P839-E841 PolarHBondContact O-N 3.31Å; E841-I843 PolarHBondContact O-N 3.23Å; E841-E844 WeakPolarHBondContact O-CB 3.43Å; E841-E844 PolarHBondContact O-N 2.97Å; E841-E845 PolarHBondContact O-N 3.4Å
842	A	77.3	Confident	80.1	Confident	17 Å²	17	75.7 Å²	75.7	14%	0.14	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-29.2	174.3	0	0	0	0	0	112.5	P834 P839 R840 E844 E845 T846	P834-A842 HydrophobicContact CB-CB 3.81Å; P834-A842 HydrophobicContact CG-CB 3.62Å; P839-A842 WeakPolarHBondContact O-CB 3.26Å; P839-A842 PolarHBondContact O-N 3.14Å; R840-A842 PolarHBondContact O-N 2.99Å; R840-A842 VanDerWaalsContact O-N 3.15Å; A842-E844 VanDerWaalsContact C-N 3.33Å; A842-E844 PolarHBondContact O-N 2.68Å; A842-E845 PolarHBondContact O-N 3.11Å; A842-T846 PolarHBondContact O-N 3.26Å; A842-T846 VanDerWaalsContact O-N 3.11Å; A842-T846 PolarHBondContact O-OG1 3.5Å; A842-T846 VanDerWaalsContact O-OG1 3.08Å
843	I	78.3	Confident	79.3	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-64.2	-40.3	175.4	-60.8	179.6	0	0	0	110.1	R70 F74 R840 E841 E845 T846 V847	R70-I843 HydrophobicContact CB-CD1 4.34Å; R70-I843 HydrophobicContact CG-CD1 4.13Å; F74-I843 HydrophobicContact CB-CG2 4.27Å; F74-I843 HydrophobicContact CD2-CG2 4Å; R840-I843 HydrophobicContact CG-CD1 4.32Å; R840-I843 VanDerWaalsContact O-CB 3.25Å; R840-I843 WeakPolarHBondContact O-CB 3.19Å; R840-I843 WeakPolarHBondContact O-CG1 3.24Å; R840-I843 PolarHBondContact O-N 2.69Å; E841-I843 PolarHBondContact O-N 3.23Å; I843-E845 VanDerWaalsContact C-N 3.26Å; I843-E845 PolarHBondContact O-N 2.84Å; I843-T846 PolarHBondContact O-N 2.85Å; I843-V847 HydrophobicContact CG2-CG2 4.25Å; I843-V847 VanDerWaalsContact O-CG2 3.27Å; I843-V847 WeakPolarHBondContact O-CG2 3.5Å; I843-V847 PolarHBondContact O-N 2.95Å
844	E	78.9	Confident	78.9	Confident	106 Å²	106	81.4 Å²	81.4	50%	0.495	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-34.6	179.8	-59.8	-171.6	173.2	0	0	111.8	E841 A842 V847 K848	E841-E844 WeakPolarHBondContact O-CB 3.43Å; E841-E844 PolarHBondContact O-N 2.97Å; A842-E844 VanDerWaalsContact C-N 3.33Å; A842-E844 PolarHBondContact O-N 2.68Å; E844-V847 PolarHBondContact O-N 3.17Å; E844-K848 VanDerWaalsContact O-CG 3.26Å; E844-K848 WeakPolarHBondContact O-CG 3.41Å; E844-K848 PolarHBondContact O-N 2.86Å
845	E	79.4	Confident	78.6	Confident	138 Å²	138	85.1 Å²	85.1	65%	0.645	43%	0.428	S	S	*	.	H	α-helix	trans	-66.8	-45.6	174	-62.7	-173.7	165.6	0	0	111.3	E841 A842 I843 V847 K848 A849	E841-E845 PolarHBondContact O-N 3.4Å; A842-E845 PolarHBondContact O-N 3.11Å; I843-E845 VanDerWaalsContact C-N 3.26Å; I843-E845 PolarHBondContact O-N 2.84Å; E845-V847 VanDerWaalsContact C-N 3.32Å; E845-V847 PolarHBondContact O-N 3.08Å; E845-K848 WeakPolarHBondContact O-CB 3.39Å; E845-K848 PolarHBondContact O-N 3.09Å; E845-A849 PolarHBondContact O-N 3.28Å
846	T	80.4	Confident	78.5	Confident	17 Å²	17	88.6 Å²	88.6	10%	0.104	44%	0.443	C	S	.	.	H	α-helix	trans	-60.7	-40.5	174.3	-46.6	0	0	0	0	111.7	F74 L831 P834 A842 I843 K848 A849 L850	F74-T846 HydrophobicContact CE2-CG2 3.83Å; F74-T846 HydrophobicContact CZ-CG2 4.23Å; L831-T846 HydrophobicContact CB-CG2 4.44Å; P834-T846 WeakPolarHBondContact CD-OG1 3.13Å; A842-T846 PolarHBondContact O-N 3.26Å; A842-T846 VanDerWaalsContact O-N 3.11Å; A842-T846 PolarHBondContact O-OG1 3.5Å; A842-T846 VanDerWaalsContact O-OG1 3.08Å; I843-T846 PolarHBondContact O-N 2.85Å; T846-K848 PolarHBondContact O-N 2.77Å; T846-A849 WeakPolarHBondContact O-CB 3.15Å; T846-A849 PolarHBondContact O-N 3.14Å; T846-L850 PolarHBondContact O-N 2.68Å
847	V	80.8	Confident	78.7	Confident	12 Å²	12	90.8 Å²	90.8	7%	0.073	45%	0.45	C	S	.	.	H	α-helix	trans	-63.6	-41.1	176	172.3	0	0	0	0	111.1	F74 E77 A78 I843 E844 E845 A849 L850 K851	F74-V847 HydrophobicContact CD2-CG2 3.53Å; F74-V847 HydrophobicContact CE2-CB 4.34Å; F74-V847 HydrophobicContact CE2-CG2 3.52Å; E77-V847 HydrophobicContact CB-CG2 4.41Å; A78-V847 HydrophobicContact CB-CG1 4.24Å; A78-V847 HydrophobicContact CB-CG2 4.24Å; I843-V847 HydrophobicContact CG2-CG2 4.25Å; I843-V847 VanDerWaalsContact O-CG2 3.27Å; I843-V847 WeakPolarHBondContact O-CG2 3.5Å; I843-V847 PolarHBondContact O-N 2.95Å; E844-V847 PolarHBondContact O-N 3.17Å; E845-V847 VanDerWaalsContact C-N 3.32Å; E845-V847 PolarHBondContact O-N 3.08Å; V847-A849 VanDerWaalsContact C-N 3.32Å; V847-L850 PolarHBondContact O-N 2.72Å; V847-K851 HydrophobicContact CG1-CD 4.27Å; V847-K851 WeakPolarHBondContact O-CG 3.02Å; V847-K851 PolarHBondContact O-N 3.19Å; V847-K851 VanDerWaalsContact O-N 3.11Å
848	K	81.5	Confident	78.7	Confident	125 Å²	125	89.6 Å²	89.6	54%	0.543	43%	0.43	S	S	.	.	H	α-helix	trans	-65.1	-36.9	175.2	-73.5	168.3	-169.2	166.4	0	111.6	E844 E845 T846 K852	E844-K848 VanDerWaalsContact O-CG 3.26Å; E844-K848 WeakPolarHBondContact O-CG 3.41Å; E844-K848 PolarHBondContact O-N 2.86Å; E845-K848 WeakPolarHBondContact O-CB 3.39Å; E845-K848 PolarHBondContact O-N 3.09Å; T846-K848 PolarHBondContact O-N 2.77Å; K848-K852 WeakPolarHBondContact O-CG 3.37Å; K848-K852 PolarHBondContact O-N 3.37Å
849	A	81	Confident	78.6	Confident	36 Å²	36	89.5 Å²	89.5	30%	0.298	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-48.8	174.6	0	0	0	0	0	111.5	L831 E845 T846 V847 K851 K852 M853	L831-A849 HydrophobicContact CD1-CB 4.39Å; L831-A849 HydrophobicContact CD2-CB 4.14Å; E845-A849 PolarHBondContact O-N 3.28Å; T846-A849 WeakPolarHBondContact O-CB 3.15Å; T846-A849 PolarHBondContact O-N 3.14Å; V847-A849 VanDerWaalsContact C-N 3.32Å; A849-K851 VanDerWaalsContact C-N 3.28Å; A849-K851 PolarHBondContact O-N 2.85Å; A849-K852 WeakPolarHBondContact O-CB 3.26Å; A849-K852 PolarHBondContact O-N 2.77Å; A849-M853 PolarHBondContact O-N 2.73Å
850	L	81.7	Confident	78.5	Confident	43 Å²	43	89.7 Å²	89.7	23%	0.225	42%	0.421	C	S	.	.	H	α-helix	trans	-59.1	-38.2	178.7	-178	67.1	0	0	0	112.2	F74 A78 L831 T846 V847 K852 M853	F74-L850 HydrophobicContact CE1-CD2 4.06Å; F74-L850 HydrophobicContact CZ-CB 4.34Å; F74-L850 HydrophobicContact CZ-CD2 3.65Å; A78-L850 HydrophobicContact CB-CD2 4.13Å; L831-L850 HydrophobicContact CD1-CB 3.88Å; L831-L850 HydrophobicContact CD1-CD1 4.04Å; T846-L850 PolarHBondContact O-N 2.68Å; V847-L850 PolarHBondContact O-N 2.72Å; L850-K852 PolarHBondContact O-N 3.37Å; L850-M853 PolarHBondContact O-N 3.44Å
851	K	79.4	Confident	78.8	Confident	140 Å²	140	85.7 Å²	85.7	61%	0.609	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.2	178.4	-72.5	178	-179.6	174.3	0	114.6	V847 A849	V847-K851 HydrophobicContact CG1-CD 4.27Å; V847-K851 WeakPolarHBondContact O-CG 3.02Å; V847-K851 PolarHBondContact O-N 3.19Å; V847-K851 VanDerWaalsContact O-N 3.11Å; A849-K851 VanDerWaalsContact C-N 3.28Å; A849-K851 PolarHBondContact O-N 2.85Å
852	K	74.8	Confident	78.7	Confident	188 Å²	188	82.4 Å²	82.4	82%	0.817	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-20.8	176.5	-75.3	176.9	179	-175.8	0	112.6	K848 A849 L850	K848-K852 WeakPolarHBondContact O-CG 3.37Å; K848-K852 PolarHBondContact O-N 3.37Å; A849-K852 WeakPolarHBondContact O-CB 3.26Å; A849-K852 PolarHBondContact O-N 2.77Å; L850-K852 PolarHBondContact O-N 3.37Å
853	M	70.4	Confident	78.8	Confident	166 Å²	166	88.4 Å²	88.4	82%	0.818	42%	0.421	S	S	*	.			trans	-75	0	167.1	-61.3	179.3	69.3	0	0	108.3	L831 A849 L850	L831-M853 HydrophobicContact CD1-SD 3.72Å; L831-M853 HydrophobicContact CG-SD 4.09Å; A849-M853 PolarHBondContact O-N 2.73Å; L850-M853 PolarHBondContact O-N 3.44Å

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