A0A3Q0KKN0_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KKN0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 856 aa.

						>A0A3Q0KKN0_SCHMA|A0A3Q0KKN0
MTDNCKHVLKVKTSIQLGILSPEHWHCNNCHTTESVWACLSCSNFACGRYISEHALQHFQQTNHPLCIEVNEKFVYCYICDDFVLNDNAPGDIKLLRMALDAVTTQDFGKLLKQKGGRRILRFRGKDAEKNSLRLLKADDIQTAVVRNRTSCLSWALHLWWSRYSESRLNAVNYKKKTKSRKIPLTLTPAFTGLRNLGNTCYMNSILQILRHTAPFANYIMNHTLSEINSHSRKRHSHPDDLSIGDPACPVKRQATTSSFSKNQIIITNDCENSWSSLLTKTPSCSPNTENSFGHYSEPNLVSVRKNIIPKCKSFGGLNGGQCPKFVYDCYQQSPASSLVNPQVSSIPSLYEEINNLFKLLWSGQRSVVSPSNLLSAVWATLPTFKGYKQQDAQEFLSLLLDRLQAELHGVPMSVPSGCDFITRAFRGYSVSHIQCSTCHVTACTEEPIYELSLSLPTKCHSDESCTFDIVDLLRQFVSPSPIDGASYACVKCNQCSEINRKETDFTRPVFNQCSYDSNDQLGNLSYPVNKIISIALSRLASPSCSPQLSYPDFSTSCELTETFSLSESPLSVSSSVTGFEEQYTNPPIERSHQITQPSVVQSPIITSPKNSPTPLPKNSLLTHATQTIRLSKLPRVLRLHIKRFRWVGRQREKLTCHVSFPLILNMSEFVLNDVDRAECHQPHLHQTKSDHIDEPEASIDNLSCHQSSIFTLPKEFEKSSLKYLYHLTGVVVHHGRGLQSGHYTSYCLNDNPECWLHCNDANVSLCDFSEVASAQAYILFYSELMPRTPFPKWYRDSIASVSSYSTTPYSVSEPELLKNQSNSPSCSNNRENTCKNFQDNPVLQEKESKTYSTRS
					

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(Predicted Aligned Error values between residue pairs)

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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	54.7	Low	71.9	Confident	89 Å²	89	78.5 Å²	78.5	44%	0.438	39%	0.389	S	S	.	.				0	140.3	0	-69.7	178.2	-70.4	0	0	108.5	D82 F83 L85 V145	M1-D82 WeakPolarHBondContact CA-OD1 3.38Å; M1-D82 WeakPolarHBondContact CA-OD2 3.42Å; M1-D82 VanDerWaalsContact N-CG 3.3Å; M1-D82 PolarHBondContact N-OD1 3.31Å; M1-D82 PolarHBondContact N-OD2 2.98Å; M1-F83 HydrophobicContact CG-CB 4.41Å; M1-L85 HydrophobicContact CB-CD1 3.77Å; M1-L85 HydrophobicContact CB-CG 4.11Å; M1-L85 HydrophobicContact CE-CD1 4.26Å; M1-L85 HydrophobicContact CG-CD1 4.34Å; M1-L85 HydrophobicContact SD-CD1 3.79Å; M1-L85 HydrophobicContact SD-CD2 3.8Å; M1-L85 HydrophobicContact SD-CG 4.1Å; M1-V145 HydrophobicContact CE-CB 4.24Å; M1-V145 HydrophobicContact CE-CG1 4.33Å; M1-V145 HydrophobicContact CE-CG2 3.15Å; M1-V145 HydrophobicContact SD-CG2 3.71Å
2	T	60.7	Low	71	Confident	36 Å²	36	86.3 Å²	86.3	22%	0.221	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-103.6	109	179.5	50.4	0	0	0	0	110.3	N4 C80 D82 F83	T2-N4 VanDerWaalsContact C-N 3.3Å; T2-C80 HydrophobicContact CG2-CB 4.19Å; T2-D82 HydrophobicContact CG2-CB 4.18Å; T2-D82 PolarHBondContact N-OD2 2.76Å; T2-F83 PolarHBondContact N-O 3.42Å; T2-F83 VanDerWaalsContact N-O 3.13Å; T2-F83 PolarHBondContact OG1-O 3.01Å
3	D	64.5	Low	69.5	Low	94 Å²	94	85.8 Å²	85.8	50%	0.503	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-33	174.8	-70	-21	0	0	0	111.3	L85 N86	D3-L85 WeakPolarHBondContact OD1-CD1 3.47Å; D3-N86 WeakPolarHBondContact O-CB 3.23Å; D3-N86 PolarHBondContact O-ND2 3.3Å
4	N	71	Confident	68.5	Low	148 Å²	148	86.2 Å²	86.2	79%	0.791	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	60.1	-175.6	-69.5	-29.1	0	0	0	111.7	T2 K6	T2-N4 VanDerWaalsContact C-N 3.3Å; N4-K6 PolarHBondContact O-N 3.31Å
5	C	84	Confident	68	Low	10 Å²	10	81.6 Å²	81.6	7%	0.068	42%	0.417	C	S	.	.			trans	-65.1	105.4	174.2	178.2	0	0	0	0	110.9	H7 V8 V84	C5-H7 PolarHBondContact O-N 3.02Å; C5-V8 HydrophobicContact CB-CG2 3.7Å; C5-V8 WeakPolarHBondContact O-CG2 3.27Å; C5-V8 PolarHBondContact O-N 3.27Å; C5-V8 VanDerWaalsContact O-N 3.11Å; C5-V84 HydrophobicContact CB-CG1 4.35Å; C5-V84 HydrophobicContact CB-CG2 3.78Å
6	K	84	Confident	67.8	Low	151 Å²	151	81.8 Å²	81.8	66%	0.657	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.5	178.4	65.8	-178.8	178.1	-176.7	0	114.3	N4	N4-K6 PolarHBondContact O-N 3.31Å
7	H	87.2	Confident	67.6	Low	24 Å²	24	85.4 Å²	85.4	11%	0.111	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-24.7	-179	-52.8	109.9	0	0	0	112.6	C5 L9 K10 L66 C77 I79 C80	C5-H7 PolarHBondContact O-N 3.02Å; H7-L9 PolarHBondContact O-N 2.77Å; H7-K10 WeakPolarHBondContact O-CB 3.4Å; H7-K10 PolarHBondContact O-N 3.23Å; H7-K10 VanDerWaalsContact O-N 3.08Å; H7-L66 HydrophobicContact CB-CD1 4.37Å; H7-L66 HydrophobicContact CB-CG 4.48Å; H7-L66 WeakPolarHBondContact O-CD1 3.19Å; H7-C77 PolarHBondContact ND1-SG 3.32Å; H7-C77 VanDerWaalsContact ND1-SG 3.42Å; H7-I79 WeakPolarHBondContact CE1-CG2 3.45Å; H7-C80 PolarHBondContact ND1-SG 3.35Å
8	V	82.2	Confident	68.1	Low	5 Å²	5	82.4 Å²	82.4	3%	0.03	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-68.1	-27.9	-179.5	-164.7	0	0	0	0	111.4	C5 K10 V11 L66 V84 N88 I93	C5-V8 HydrophobicContact CB-CG2 3.7Å; C5-V8 WeakPolarHBondContact O-CG2 3.27Å; C5-V8 PolarHBondContact O-N 3.27Å; C5-V8 VanDerWaalsContact O-N 3.11Å; V8-K10 PolarHBondContact O-N 3.43Å; V8-V11 HydrophobicContact CG1-CG2 4.43Å; V8-V11 WeakPolarHBondContact O-CG2 3.46Å; V8-V11 PolarHBondContact O-N 3.46Å; V8-L66 HydrophobicContact CG2-CD1 4.49Å; V8-L66 HydrophobicContact CG2-CD2 4.24Å; V8-V84 HydrophobicContact CG2-CB 4.36Å; V8-V84 HydrophobicContact CG2-CG1 3.48Å; V8-V84 VanDerWaalsContact CG2-CG1 3.48Å; V8-V84 HydrophobicContact CG2-CG2 3.99Å; V8-N88 HydrophobicContact CG1-CB 3.76Å; V8-I93 HydrophobicContact CG1-CD1 4.28Å; V8-I93 HydrophobicContact CG1-CG1 3.73Å
9	L	69.9	Low	69.1	Low	122 Å²	122	78.2 Å²	78.2	64%	0.639	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-63.4	-19.5	174.1	-60.6	174.9	0	0	0	112.9	H7	H7-L9 PolarHBondContact O-N 2.77Å
10	K	65.3	Low	70.1	Confident	172 Å²	172	76.8 Å²	76.8	75%	0.748	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-93.6	2.2	-179.5	-64.3	-172.9	177.9	-176.7	0	114.1	H7 V8 K12	H7-K10 WeakPolarHBondContact O-CB 3.4Å; H7-K10 PolarHBondContact O-N 3.23Å; H7-K10 VanDerWaalsContact O-N 3.08Å; V8-K10 PolarHBondContact O-N 3.43Å; K10-K12 PolarHBondContact O-N 3.46Å
11	V	67.7	Low	71	Confident	13 Å²	13	74.8 Å²	74.8	8%	0.079	39%	0.393	C	S	.	.			trans	-59.9	110.6	175.3	178.1	0	0	0	0	107.4	V8 T13 I15 L40 L66 I93	V8-V11 HydrophobicContact CG1-CG2 4.43Å; V8-V11 WeakPolarHBondContact O-CG2 3.46Å; V8-V11 PolarHBondContact O-N 3.46Å; V11-T13 PolarHBondContact O-N 3.35Å; V11-I15 HydrophobicContact CG1-CG1 4.11Å; V11-L40 HydrophobicContact CG2-CD1 4.39Å; V11-L66 HydrophobicContact CG2-CD1 3.58Å; V11-I93 HydrophobicContact CG2-CD1 4.35Å
12	K	60.4	Low	72.8	Confident	171 Å²	171	71.2 Å²	71.2	74%	0.743	38%	0.376	S	S	*	.			trans	-57.1	132.2	177.7	-71.5	-178.6	179.1	176.9	0	107.1	K10 S14 I15	K10-K12 PolarHBondContact O-N 3.46Å; K12-S14 CarbonylContact O-C 3.54Å; K12-S14 PolarHBondContact O-N 3.4Å; K12-I15 PolarHBondContact O-N 3.21Å
13	T	52.3	Low	74.1	Confident	80 Å²	80	73.8 Å²	73.8	49%	0.491	39%	0.385	S	S	.	.	S	Bend	trans	-53.2	-17	-179.5	39.3	0	0	0	0	113.8	V11 I15	V11-T13 PolarHBondContact O-N 3.35Å; T13-I15 VanDerWaalsContact C-N 3.28Å; T13-I15 PolarHBondContact O-N 3.49Å; T13-I15 VanDerWaalsContact O-N 3.15Å
14	S	54.6	Low	75.4	Confident	92 Å²	92	73.1 Å²	73.1	64%	0.643	38%	0.379	S	S	*	.			trans	-81.9	65.4	167.1	-53.2	0	0	0	0	111.6	K12 Q16	K12-S14 CarbonylContact O-C 3.54Å; K12-S14 PolarHBondContact O-N 3.4Å; S14-Q16 PolarHBondContact O-N 3.25Å
15	I	61.1	Low	76.4	Confident	17 Å²	17	66.1 Å²	66.1	9%	0.087	34%	0.342	C	S	.	.			trans	-55.6	115.2	158.8	-64.3	170.6	0	0	0	105.7	V11 K12 T13 L17 I19 D92 L96	V11-I15 HydrophobicContact CG1-CG1 4.11Å; K12-I15 PolarHBondContact O-N 3.21Å; T13-I15 VanDerWaalsContact C-N 3.28Å; T13-I15 PolarHBondContact O-N 3.49Å; T13-I15 VanDerWaalsContact O-N 3.15Å; I15-L17 PolarHBondContact O-N 3.48Å; I15-I19 HydrophobicContact CG2-CD1 3.95Å; I15-D92 HydrophobicContact CD1-CB 4.14Å; I15-L96 HydrophobicContact CD1-CB 4.14Å; I15-L96 HydrophobicContact CD1-CD2 4.2Å; I15-L96 HydrophobicContact CG2-CD1 3.96Å; I15-L96 HydrophobicContact CG2-CD2 4.06Å
16	Q	65.2	Low	76.7	Confident	85 Å²	85	67.5 Å²	67.5	40%	0.397	35%	0.347	S	S	.	.			trans	-63.3	124.1	-174.2	-66.2	-172.3	-11.1	0	0	109	S14 G18 I19 S43	S14-Q16 PolarHBondContact O-N 3.25Å; Q16-G18 PolarHBondContact O-N 3.13Å; Q16-I19 PolarHBondContact O-N 2.96Å; Q16-I19 VanDerWaalsContact O-N 3.07Å; Q16-S43 VanDerWaalsContact OE1-CB 3.3Å
17	L	64.6	Low	77.2	Confident	142 Å²	142	60.3 Å²	60.3	74%	0.743	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-56	-22.8	-175.2	-70.3	170.3	0	0	0	113.1	I15 I19 L20	I15-L17 PolarHBondContact O-N 3.48Å; L17-I19 PolarHBondContact O-N 3.27Å; L17-I19 VanDerWaalsContact O-N 3.16Å; L17-L20 WeakPolarHBondContact O-CB 3.45Å; L17-L20 PolarHBondContact O-N 3.12Å
18	G	76.2	Confident	77.4	Confident	32 Å²	32	62.4 Å²	62.4	33%	0.33	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-59.6	-20.7	176.3	0	0	0	0	0	114.8	Q16 L20 S21	Q16-G18 PolarHBondContact O-N 3.13Å; G18-L20 PolarHBondContact O-N 2.69Å; G18-S21 WeakPolarHBondContact O-CB 3.47Å; G18-S21 PolarHBondContact O-N 3.4Å; G18-S21 VanDerWaalsContact O-N 3.15Å
19	I	87	Confident	77.9	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.015	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-59.8	-28.9	173.3	-63	177.9	0	0	0	111.4	I15 Q16 L17 S21 W25 A38 L40 L96 L100	I15-I19 HydrophobicContact CG2-CD1 3.95Å; Q16-I19 PolarHBondContact O-N 2.96Å; Q16-I19 VanDerWaalsContact O-N 3.07Å; L17-I19 PolarHBondContact O-N 3.27Å; L17-I19 VanDerWaalsContact O-N 3.16Å; I19-S21 VanDerWaalsContact C-N 3.35Å; I19-W25 PolarHBondContact O-NE1 3.33Å; I19-A38 HydrophobicContact CD1-CB 4.27Å; I19-A38 HydrophobicContact CG1-CB 4.12Å; I19-A38 HydrophobicContact CG2-CB 3.94Å; I19-L40 HydrophobicContact CD1-CD2 4.17Å; I19-L96 HydrophobicContact CG2-CD1 4.18Å; I19-L100 HydrophobicContact CG2-CD2 4.19Å
20	L	88.9	Confident	78.7	Confident	49 Å²	49	62.9 Å²	62.9	26%	0.257	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-87.9	1.4	-177.8	-57.4	180	0	0	0	113.8	L17 G18 P22 L96 A99 L100 V103	L17-L20 WeakPolarHBondContact O-CB 3.45Å; L17-L20 PolarHBondContact O-N 3.12Å; G18-L20 PolarHBondContact O-N 2.69Å; L20-P22 VanDerWaalsContact O-CD 3.31Å; L20-P22 WeakPolarHBondContact O-CD 3.25Å; L20-L96 HydrophobicContact CD2-CD1 4.08Å; L20-A99 HydrophobicContact CD1-CB 4.03Å; L20-A99 HydrophobicContact CD2-CB 3.7Å; L20-L100 HydrophobicContact CD2-CD2 4Å; L20-L100 HydrophobicContact CD2-CG 4.14Å; L20-V103 HydrophobicContact CB-CG2 4.28Å
21	S	90.3	Very high	79.8	Confident	36 Å²	36	59 Å²	59	25%	0.252	32%	0.318	S	S	.	.			trans	-90.9	108.1	178.3	-74.1	0	0	0	0	111.1	G18 I19 E23 H24 W25	G18-S21 WeakPolarHBondContact O-CB 3.47Å; G18-S21 PolarHBondContact O-N 3.4Å; G18-S21 VanDerWaalsContact O-N 3.15Å; I19-S21 VanDerWaalsContact C-N 3.35Å; S21-E23 WeakPolarHBondContact CB-OE1 3.21Å; S21-E23 PolarHBondContact O-N 3.4Å; S21-H24 WeakPolarHBondContact CB-ND1 3.33Å; S21-H24 PolarHBondContact O-N 3.3Å; S21-W25 PolarHBondContact O-NE1 2.92Å
22	P	91.5	Very high	80.7	Confident	13 Å²	13	59 Å²	59	8%	0.084	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61	-27.8	-175.4	-25.4	37.6	0	0	0	114.3	L20 H24 W25 V103 G198 Y388	L20-P22 VanDerWaalsContact O-CD 3.31Å; L20-P22 WeakPolarHBondContact O-CD 3.25Å; P22-H24 PolarHBondContact O-N 3.15Å; P22-W25 HydrophobicContact CB-CD2 4.16Å; P22-W25 HydrophobicContact CB-CE3 4.15Å; P22-W25 HydrophobicContact CB-CZ3 4.35Å; P22-W25 HydrophobicContact CG-CH2 4.24Å; P22-W25 HydrophobicContact CG-CZ2 4.19Å; P22-W25 HydrophobicContact CG-CZ3 4.5Å; P22-W25 WeakPolarHBondContact O-CB 3.43Å; P22-W25 PolarHBondContact O-N 2.95Å; P22-V103 HydrophobicContact CG-CG1 3.49Å; P22-V103 VanDerWaalsContact CG-CG1 3.49Å; P22-G198 WeakPolarHBondContact O-CA 3.43Å; P22-G198 PolarHBondContact O-N 3.01Å; P22-Y388 HydrophobicContact CB-CD1 3.64Å; P22-Y388 HydrophobicContact CB-CD2 4.12Å; P22-Y388 HydrophobicContact CB-CE1 3.78Å; P22-Y388 HydrophobicContact CB-CE2 4.25Å; P22-Y388 HydrophobicContact CB-CG 3.8Å; P22-Y388 HydrophobicContact CG-CD1 4.08Å; P22-Y388 HydrophobicContact CG-CD2 3.67Å; P22-Y388 HydrophobicContact CG-CE1 4.04Å; P22-Y388 HydrophobicContact CG-CE2 3.62Å; P22-Y388 HydrophobicContact CG-CG 3.89Å
23	E	89	Confident	82	Confident	90 Å²	90	50.8 Å²	50.8	42%	0.421	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-62	-16.1	176.9	70.8	-89.2	-179.8	0	0	114	S21 H26	S21-E23 WeakPolarHBondContact CB-OE1 3.21Å; S21-E23 PolarHBondContact O-N 3.4Å; E23-H26 PolarHBondContact O-CD2 3.14Å; E23-H26 PolarHBondContact O-NE2 3.29Å
24	H	90.3	Very high	83.5	Confident	81 Å²	81	48.5 Å²	48.5	38%	0.375	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-98.4	1.6	177	-61.4	91.4	0	0	0	113.3	S21 P22 H26 F45	S21-H24 WeakPolarHBondContact CB-ND1 3.33Å; S21-H24 PolarHBondContact O-N 3.3Å; P22-H24 PolarHBondContact O-N 3.15Å; H24-H26 PolarHBondContact O-N 2.87Å; H24-F45 HydrophobicContact CB-CD2 3.99Å; H24-F45 HydrophobicContact CB-CE2 3.53Å; H24-F45 HydrophobicContact CB-CZ 3.82Å; H24-F45 WeakPolarHBondContact O-CD1 3.38Å; H24-F45 VanDerWaalsContact O-CG 3.26Å; H24-F45 WeakPolarHBondContact O-CG 3.43Å
25	W	91.7	Very high	85	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	24%	0.24	C	C	.	.			trans	-78.5	53.2	-176.2	-65.6	-1	0	0	0	113	I19 S21 P22 F45 V70 L100 V103 T104	I19-W25 PolarHBondContact O-NE1 3.33Å; S21-W25 PolarHBondContact O-NE1 2.92Å; P22-W25 HydrophobicContact CB-CD2 4.16Å; P22-W25 HydrophobicContact CB-CE3 4.15Å; P22-W25 HydrophobicContact CB-CZ3 4.35Å; P22-W25 HydrophobicContact CG-CH2 4.24Å; P22-W25 HydrophobicContact CG-CZ2 4.19Å; P22-W25 HydrophobicContact CG-CZ3 4.5Å; P22-W25 WeakPolarHBondContact O-CB 3.43Å; P22-W25 PolarHBondContact O-N 2.95Å; W25-F45 AromaticContact CD1-CE1 3.7Å; W25-V70 HydrophobicContact CB-CG2 4.27Å; W25-V70 HydrophobicContact CD2-CG2 4.34Å; W25-V70 HydrophobicContact CG-CG2 4.14Å; W25-L100 HydrophobicContact CZ2-CD2 3.91Å; W25-V103 HydrophobicContact CH2-CB 4.21Å; W25-V103 HydrophobicContact CH2-CG1 3.6Å; W25-V103 HydrophobicContact CZ2-CB 4.37Å; W25-V103 HydrophobicContact CZ2-CG1 3.74Å; W25-T104 WeakPolarHBondContact CH2-OG1 3.35Å
26	H	91.5	Very high	86.4	Confident	39 Å²	39	44 Å²	44	18%	0.181	24%	0.236	C	C	.	.	S	Bend	trans	-146.1	155.6	174.2	57.8	60.8	0	0	0	109.4	E23 H24 N28 T32 T33 F45	E23-H26 PolarHBondContact O-CD2 3.14Å; E23-H26 PolarHBondContact O-NE2 3.29Å; H24-H26 PolarHBondContact O-N 2.87Å; H26-N28 PolarHBondContact O-N 2.91Å; H26-T32 WeakPolarHBondContact CA-O 3.32Å; H26-T33 HydrophobicContact CB-CG2 4.11Å; H26-F45 WeakPolarHBondContact O-CB 3.34Å
27	C	93.3	Very high	87.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.			trans	-62.1	131.2	175.1	178.6	0	0	0	0	111.3	N29 H31 T32 C47 H54	C27-N29 PolarHBondContact O-N 3.41Å; C27-N29 PolarHBondContact SG-N 2.91Å; C27-N29 VanDerWaalsContact SG-N 3.41Å; C27-H31 WeakPolarHBondContact O-CA 3.48Å; C27-H31 PolarHBondContact O-N 3.36Å; C27-T32 HydrophobicContact CB-CG2 4.01Å; C27-T32 PolarHBondContact N-O 2.94Å; C27-C47 HydrophobicContact CB-CB 4.04Å; C27-C47 PolarHBondContact SG-N 2.93Å; C27-H54 PolarHBondContact SG-ND1 2.78Å; C27-H54 VanDerWaalsContact SG-ND1 3.41Å
28	N	93.3	Very high	89.2	Confident	67 Å²	67	34.2 Å²	34.2	36%	0.358	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.3	177.7	-72.8	-13.8	0	0	0	113.8	H26 N44 F45	H26-N28 PolarHBondContact O-N 2.91Å; N28-N44 PolarHBondContact ND2-OD1 3.33Å; N28-F45 WeakPolarHBondContact CB-O 3.31Å; N28-F45 PolarHBondContact N-O 3.07Å; N28-F45 PolarHBondContact ND2-N 3.2Å
29	N	91.9	Very high	90	Very high	95 Å²	95	32.9 Å²	32.9	51%	0.508	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-47.8	-175.4	-61.1	79.3	0	0	0	113	C27 H54	C27-N29 PolarHBondContact O-N 3.41Å; C27-N29 PolarHBondContact SG-N 2.91Å; C27-N29 VanDerWaalsContact SG-N 3.41Å; N29-H54 HydrophobicContact CB-CB 4.44Å
30	C	87.7	Confident	90.2	Very high	42 Å²	42	33.2 Å²	33.2	28%	0.284	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	0.4	-176.7	63.1	0	0	0	0	114.6	T32	C30-T32 PolarHBondContact O-N 2.92Å; C30-T32 VanDerWaalsContact SG-CG2 3.52Å
31	H	88.3	Confident	90.2	Very high	90 Å²	90	33.6 Å²	33.6	42%	0.417	18%	0.18	S	C	.	.			trans	60.3	5.7	178.9	-55.4	-65	0	0	0	116.5	C27	C27-H31 WeakPolarHBondContact O-CA 3.48Å; C27-H31 PolarHBondContact O-N 3.36Å
32	T	85.9	Confident	90.2	Very high	13 Å²	13	33.1 Å²	33.1	8%	0.08	18%	0.176	C	C	.	.			trans	-61.8	141	174	-169.4	0	0	0	0	111.2	H26 C27 C30 E34 V36 C47	H26-T32 WeakPolarHBondContact CA-O 3.32Å; C27-T32 HydrophobicContact CB-CG2 4.01Å; C27-T32 PolarHBondContact N-O 2.94Å; C30-T32 PolarHBondContact O-N 2.92Å; C30-T32 VanDerWaalsContact SG-CG2 3.52Å; T32-E34 VanDerWaalsContact C-N 3.34Å; T32-E34 WeakPolarHBondContact OG1-CB 3.32Å; T32-E34 PolarHBondContact OG1-N 3.4Å; T32-E34 VanDerWaalsContact OG1-N 3.07Å; T32-V36 WeakPolarHBondContact O-CG2 3.36Å; T32-C47 HydrophobicContact CG2-CB 3.61Å
33	T	87.1	Confident	90.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.			trans	-93	5.6	167.4	51.2	0	0	0	0	112.4	H26 N196 Q390 G742 H743	H26-T33 HydrophobicContact CB-CG2 4.11Å; T33-N196 WeakPolarHBondContact CG2-ND2 3.41Å; T33-Q390 PolarHBondContact O-NE2 3.44Å; T33-G742 CarbonylContact C-O 3.59Å; T33-G742 PolarHBondContact OG1-O 3.25Å; T33-H743 WeakPolarHBondContact OG1-CA 3.41Å; T33-H743 WeakPolarHBondContact OG1-CB 3.39Å; T33-H743 PolarHBondContact OG1-ND1 3.1Å; T33-H743 VanDerWaalsContact OG1-ND1 3.15Å
34	E	83.3	Confident	90.3	Very high	32 Å²	32	33.6 Å²	33.6	15%	0.15	19%	0.187	C	C	.	.	S	Bend	trans	-82.3	128.9	175.1	-169.1	-170.4	-177.6	0	0	111.4	T32 V36 I51 G736 R737	T32-E34 VanDerWaalsContact C-N 3.34Å; T32-E34 WeakPolarHBondContact OG1-CB 3.32Å; T32-E34 PolarHBondContact OG1-N 3.4Å; T32-E34 VanDerWaalsContact OG1-N 3.07Å; E34-V36 PolarHBondContact O-N 3.18Å; E34-I51 HydrophobicContact CB-CD1 3.83Å; E34-I51 HydrophobicContact CG-CD1 3.6Å; E34-I51 WeakPolarHBondContact O-CD1 3.46Å; E34-G736 WeakPolarHBondContact OE1-CA 3.41Å; E34-G736 WeakPolarHBondContact OE2-CA 3.34Å; E34-R737 PolarHBondContact OE1-N 3.43Å
35	S	86.6	Confident	90.5	Very high	15 Å²	15	29.9 Å²	29.9	11%	0.105	17%	0.17	C	C	.	.	S	Bend	trans	39.9	67.4	178.4	-164.2	0	0	0	0	112.1	W37 C47 G48 E69	S35-W37 PolarHBondContact O-NE1 3.13Å; S35-W37 PolarHBondContact OG-NE1 3.47Å; S35-C47 CarbonylContact O-C 3.5Å; S35-C47 WeakPolarHBondContact O-CA 3.46Å; S35-G48 PolarHBondContact O-N 3.49Å; S35-E69 WeakPolarHBondContact CA-OE1 3.48Å
36	V	91.2	Very high	90.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121	-175.3	-178.4	0	0	0	0	109	T32 E34 F45 E69 V70	T32-V36 WeakPolarHBondContact O-CG2 3.36Å; E34-V36 PolarHBondContact O-N 3.18Å; V36-F45 HydrophobicContact CG1-CB 4.11Å; V36-F45 HydrophobicContact CG1-CD1 4.03Å; V36-E69 PolarHBondContact N-OE1 3.08Å; V36-E69 WeakPolarHBondContact O-CA 3.09Å; V36-V70 HydrophobicContact CB-CG2 4.03Å; V36-V70 HydrophobicContact CG1-CG2 4.41Å; V36-V70 PolarHBondContact O-N 3.35Å
37	W	94.5	Very high	90.6	Very high	19 Å²	19	28 Å²	28	7%	0.072	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.2	-177.6	-63.9	79.1	0	0	0	110.3	S35 F45 A46 G48 A55 C67 I68 E69 F74 Y76 F83	S35-W37 PolarHBondContact O-NE1 3.13Å; S35-W37 PolarHBondContact OG-NE1 3.47Å; W37-F45 WeakPolarHBondContact O-CA 3.17Å; W37-A46 PolarHBondContact N-O 2.88Å; W37-A46 PolarHBondContact O-N 2.95Å; W37-G48 VanDerWaalsContact NE1-CA 3.34Å; W37-A55 HydrophobicContact CB-CB 4.29Å; W37-C67 HydrophobicContact CB-CB 4.11Å; W37-C67 HydrophobicContact CE3-CB 4.19Å; W37-I68 CarbonylContact C-O 3.48Å; W37-I68 WeakPolarHBondContact CA-O 3.21Å; W37-E69 HydrophobicContact CD2-CB 3.89Å; W37-E69 HydrophobicContact CD2-CG 4.19Å; W37-E69 HydrophobicContact CE3-CB 3.9Å; W37-E69 VanDerWaalsContact CE3-N 3.32Å; W37-E69 HydrophobicContact CH2-CB 3.92Å; W37-E69 HydrophobicContact CZ2-CB 3.88Å; W37-E69 HydrophobicContact CZ2-CG 4.05Å; W37-E69 HydrophobicContact CZ3-CB 3.92Å; W37-F74 HydrophobicContact CH2-CB 4.12Å; W37-F74 VanDerWaalsContact CZ3-O 3.23Å; W37-F74 WeakPolarHBondContact CZ3-O 3.5Å; W37-Y76 VanDerWaalsContact CZ3-CB 3.44Å; W37-F83 AromaticContact CH2-CE1 3.83Å; W37-F83 HydrophobicContact CH2-CE1 3.83Å; W37-F83 HydrophobicContact CH2-CZ 4.46Å; W37-F83 HydrophobicContact CZ2-CE1 4.47Å
38	A	94.2	Very high	90.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.4	170.9	0	0	0	0	0	109.8	I19 F45 C67 I68 V70	I19-A38 HydrophobicContact CD1-CB 4.27Å; I19-A38 HydrophobicContact CG1-CB 4.12Å; I19-A38 HydrophobicContact CG2-CB 3.94Å; A38-F45 HydrophobicContact CB-CD1 3.83Å; A38-F45 HydrophobicContact CB-CE1 3.7Å; A38-F45 HydrophobicContact CB-CZ 4.38Å; A38-C67 CarbonylContact O-C 3.6Å; A38-C67 WeakPolarHBondContact O-CA 3.45Å; A38-C67 VanDerWaalsContact O-CB 3.29Å; A38-C67 WeakPolarHBondContact O-CB 3.08Å; A38-I68 HydrophobicContact CB-CG2 4.1Å; A38-I68 PolarHBondContact N-O 3.08Å; A38-I68 PolarHBondContact O-N 2.98Å; A38-V70 HydrophobicContact CB-CG1 3.95Å
39	C	93.4	Very high	89.8	Confident	5 Å²	5	27.5 Å²	27.5	3%	0.034	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	134.1	172.2	-177.2	0	0	0	0	110.3	S41 N44 H58 H64	C39-S41 PolarHBondContact O-N 3.15Å; C39-S41 PolarHBondContact SG-N 3.42Å; C39-S41 VanDerWaalsContact SG-N 3.36Å; C39-N44 HydrophobicContact CB-CB 4.31Å; C39-N44 PolarHBondContact N-O 3.02Å; C39-H58 PolarHBondContact SG-NE2 3.11Å; C39-H64 VanDerWaalsContact SG-CB 3.55Å
40	L	91.4	Very high	89.2	Confident	9 Å²	9	24.2 Å²	24.2	5%	0.047	14%	0.137	C	C	.	.	S	Bend	trans	-84.7	4	177.1	-65	-175.6	0	0	0	113.5	V11 I19 L66 I68 V75 I93 L96	V11-L40 HydrophobicContact CG2-CD1 4.39Å; I19-L40 HydrophobicContact CD1-CD2 4.17Å; L40-L66 HydrophobicContact CB-CB 4.16Å; L40-L66 HydrophobicContact CD1-CB 4.11Å; L40-L66 HydrophobicContact CG-CB 4.47Å; L40-L66 PolarHBondContact N-O 3.27Å; L40-I68 HydrophobicContact CD2-CB 4.19Å; L40-I68 HydrophobicContact CD2-CG2 3.68Å; L40-I68 HydrophobicContact CG-CG2 4.45Å; L40-V75 HydrophobicContact CD1-CG1 4.42Å; L40-I93 HydrophobicContact CD1-CD1 3.7Å; L40-L96 HydrophobicContact CD2-CD2 3.56Å
41	S	88.2	Confident	88.7	Confident	58 Å²	58	23.6 Å²	23.6	41%	0.406	13%	0.13	S	C	.	.	S	Bend	trans	-116.6	-19.4	179.7	-57.1	0	0	0	0	113.8	C39 H64	C39-S41 PolarHBondContact O-N 3.15Å; C39-S41 PolarHBondContact SG-N 3.42Å; C39-S41 VanDerWaalsContact SG-N 3.36Å; S41-H64 WeakPolarHBondContact CB-CD2 3.4Å; S41-H64 VanDerWaalsContact CB-CG 3.46Å
42	C	90.2	Very high	88.5	Confident	25 Å²	25	21.9 Å²	21.9	17%	0.169	13%	0.128	C	C	.	.	S	Bend	trans	-153.4	179.1	-179.5	72.6	0	0	0	0	111.5	N44 H58 H64	C42-N44 PolarHBondContact O-N 3.11Å; C42-N44 VanDerWaalsContact O-N 3.14Å; C42-H58 PolarHBondContact SG-CE1 3.05Å; C42-H58 PolarHBondContact SG-NE2 3.15Å; C42-H58 VanDerWaalsContact SG-NE2 3.43Å; C42-H64 PolarHBondContact SG-ND1 2.85Å
43	S	88.9	Confident	88.8	Confident	83 Å²	83	24.1 Å²	24.1	58%	0.58	14%	0.138	S	C	*	.	S	Bend	trans	-83.1	20	-174.3	60.3	0	0	0	0	114.1	Q16	Q16-S43 VanDerWaalsContact OE1-CB 3.3Å
44	N	92.9	Very high	89.2	Confident	30 Å²	30	25.7 Å²	25.7	16%	0.16	15%	0.145	C	C	.	.			trans	-84.5	132.6	-176.6	-170.4	58.3	0	0	0	111.8	N28 C39 C42 H58	N28-N44 PolarHBondContact ND2-OD1 3.33Å; C39-N44 HydrophobicContact CB-CB 4.31Å; C39-N44 PolarHBondContact N-O 3.02Å; C42-N44 PolarHBondContact O-N 3.11Å; C42-N44 VanDerWaalsContact O-N 3.14Å; N44-H58 PolarHBondContact ND2-ND1 3.3Å
45	F	94.4	Very high	89.8	Confident	3 Å²	3	24.4 Å²	24.4	1%	0.013	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.3	170.5	-68	-101.7	0	0	0	109.2	H24 W25 H26 N28 V36 W37 A38 V70	H24-F45 HydrophobicContact CB-CD2 3.99Å; H24-F45 HydrophobicContact CB-CE2 3.53Å; H24-F45 HydrophobicContact CB-CZ 3.82Å; H24-F45 WeakPolarHBondContact O-CD1 3.38Å; H24-F45 VanDerWaalsContact O-CG 3.26Å; H24-F45 WeakPolarHBondContact O-CG 3.43Å; W25-F45 AromaticContact CD1-CE1 3.7Å; H26-F45 WeakPolarHBondContact O-CB 3.34Å; N28-F45 WeakPolarHBondContact CB-O 3.31Å; N28-F45 PolarHBondContact N-O 3.07Å; N28-F45 PolarHBondContact ND2-N 3.2Å; V36-F45 HydrophobicContact CG1-CB 4.11Å; V36-F45 HydrophobicContact CG1-CD1 4.03Å; W37-F45 WeakPolarHBondContact O-CA 3.17Å; A38-F45 HydrophobicContact CB-CD1 3.83Å; A38-F45 HydrophobicContact CB-CE1 3.7Å; A38-F45 HydrophobicContact CB-CZ 4.38Å; F45-V70 HydrophobicContact CD1-CG1 4.29Å; F45-V70 HydrophobicContact CE1-CG1 3.98Å
46	A	95	Very high	90.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.4	-176.4	0	0	0	0	0	112	W37 H54 A55	W37-A46 PolarHBondContact N-O 2.88Å; W37-A46 PolarHBondContact O-N 2.95Å; A46-H54 HydrophobicContact CB-CB 3.86Å; A46-A55 HydrophobicContact CB-CB 3.87Å
47	C	92	Very high	90.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	149.2	173.2	67.5	0	0	0	0	110.4	C27 T32 S35 I51 H54 A55	C27-C47 HydrophobicContact CB-CB 4.04Å; C27-C47 PolarHBondContact SG-N 2.93Å; T32-C47 HydrophobicContact CG2-CB 3.61Å; S35-C47 CarbonylContact O-C 3.5Å; S35-C47 WeakPolarHBondContact O-CA 3.46Å; C47-I51 HydrophobicContact CB-CB 4.17Å; C47-I51 HydrophobicContact CB-CD1 4.22Å; C47-I51 HydrophobicContact CB-CG2 4.2Å; C47-H54 PolarHBondContact SG-ND1 2.8Å; C47-A55 VanDerWaalsContact O-CB 3.27Å; C47-A55 WeakPolarHBondContact O-CB 3.43Å; C47-A55 PolarHBondContact O-N 3.29Å; C47-A55 VanDerWaalsContact O-N 3.08Å
48	G	87.6	Confident	90.6	Very high	3 Å²	3	29 Å²	29	3%	0.031	16%	0.161	C	C	.	.			trans	-61.5	164.9	-175.9	0	0	0	0	0	114.7	S35 W37 Y50 I51 E53	S35-G48 PolarHBondContact O-N 3.49Å; W37-G48 VanDerWaalsContact NE1-CA 3.34Å; G48-Y50 PolarHBondContact O-N 3.45Å; G48-I51 PolarHBondContact O-N 3.36Å; G48-I51 VanDerWaalsContact O-N 3.12Å; G48-E53 PolarHBondContact O-N 3.42Å
49	R	81.8	Confident	90.7	Very high	54 Å²	54	30.3 Å²	30.3	20%	0.204	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-11.2	176.6	71.7	-179.3	-64.1	-155.3	28.3	115	E53 L56 Y76 Y78 D81	R49-E53 WeakPolarHBondContact O-CG 3.41Å; R49-L56 HydrophobicContact CB-CB 4.46Å; R49-Y76 PolarHBondContact NH1-OH 2.92Å; R49-Y78 HydrophobicContact CB-CE1 4.27Å; R49-D81 IonicContact CZ-OD1 3.51Å; R49-D81 IonicContact NH1-OD1 2.66Å; R49-D81 PolarHBondContact NH1-OD1 2.85Å; R49-D81 IonicContact NH2-OD1 3.55Å; R49-D81 PolarHBondContact NH2-OD1 3.05Å
50	Y	78.4	Confident	90.8	Very high	26 Å²	26	36 Å²	36	10%	0.102	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	10.9	-177.4	-50.4	-58.7	0	0	0	113.3	G48 S151 C152 W155	G48-Y50 PolarHBondContact O-N 3.45Å; Y50-S151 VanDerWaalsContact CE2-CB 3.47Å; Y50-C152 PolarHBondContact OH-SG 3.25Å; Y50-W155 HydrophobicContact CD1-CB 3.42Å; Y50-W155 VanDerWaalsContact CD1-CB 3.42Å; Y50-W155 AromaticContact CD1-CD1 3.97Å; Y50-W155 AromaticContact CD1-CG 3.75Å; Y50-W155 HydrophobicContact CD1-CG 3.75Å; Y50-W155 HydrophobicContact CE1-CB 4.2Å; Y50-W155 HydrophobicContact CE1-CG 4.44Å; Y50-W155 HydrophobicContact CG-CB 4.2Å
51	I	76.8	Confident	91.1	Very high	29 Å²	29	42.9 Å²	42.9	15%	0.149	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-84.2	175.4	-59.3	174.9	0	0	0	109.6	E34 C47 G48	E34-I51 HydrophobicContact CB-CD1 3.83Å; E34-I51 HydrophobicContact CG-CD1 3.6Å; E34-I51 WeakPolarHBondContact O-CD1 3.46Å; C47-I51 HydrophobicContact CB-CB 4.17Å; C47-I51 HydrophobicContact CB-CD1 4.22Å; C47-I51 HydrophobicContact CB-CG2 4.2Å; G48-I51 PolarHBondContact O-N 3.36Å; G48-I51 VanDerWaalsContact O-N 3.12Å
52	S	85.6	Confident	91.4	Very high	53 Å²	53	42.5 Å²	42.5	37%	0.371	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	12.9	177.1	-47.7	0	0	0	0	112.4	H54	S52-H54 PolarHBondContact O-N 3Å
53	E	92.1	Very high	91.6	Very high	61 Å²	61	47.1 Å²	47.1	29%	0.285	24%	0.243	S	C	.	.			trans	60.1	14.1	171.9	-66.5	176.5	-169.1	0	0	116.1	G48 R49 A55 L56 Q57 W155	G48-E53 PolarHBondContact O-N 3.42Å; R49-E53 WeakPolarHBondContact O-CG 3.41Å; E53-A55 PolarHBondContact O-N 3.26Å; E53-A55 VanDerWaalsContact O-N 3.15Å; E53-L56 HydrophobicContact CB-CB 4.27Å; E53-L56 HydrophobicContact CG-CD2 4.47Å; E53-L56 WeakPolarHBondContact O-CA 3.47Å; E53-L56 WeakPolarHBondContact O-CB 3.46Å; E53-L56 PolarHBondContact O-N 3.24Å; E53-Q57 WeakPolarHBondContact O-CG 3.38Å; E53-Q57 PolarHBondContact O-N 2.91Å; E53-W155 PolarHBondContact OE1-NE1 3.32Å
54	H	95.5	Very high	91.8	Very high	32 Å²	32	45.6 Å²	45.6	15%	0.148	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-31.7	178.5	-65.5	132.3	0	0	0	112.9	C27 N29 A46 C47 S52 Q57 H58	C27-H54 PolarHBondContact SG-ND1 2.78Å; C27-H54 VanDerWaalsContact SG-ND1 3.41Å; N29-H54 HydrophobicContact CB-CB 4.44Å; A46-H54 HydrophobicContact CB-CB 3.86Å; C47-H54 PolarHBondContact SG-ND1 2.8Å; S52-H54 PolarHBondContact O-N 3Å; H54-Q57 PolarHBondContact CD2-OE1 2.77Å; H54-H58 WeakPolarHBondContact O-CB 3.26Å; H54-H58 PolarHBondContact O-N 3.22Å
55	A	95.4	Very high	91.7	Very high	6 Å²	6	45.3 Å²	45.3	5%	0.05	23%	0.227	C	C	.	.	H	α-helix	trans	-69.6	-34.6	174	0	0	0	0	0	112.7	W37 A46 C47 E53 F59 Y78	W37-A55 HydrophobicContact CB-CB 4.29Å; A46-A55 HydrophobicContact CB-CB 3.87Å; C47-A55 VanDerWaalsContact O-CB 3.27Å; C47-A55 WeakPolarHBondContact O-CB 3.43Å; C47-A55 PolarHBondContact O-N 3.29Å; C47-A55 VanDerWaalsContact O-N 3.08Å; E53-A55 PolarHBondContact O-N 3.26Å; E53-A55 VanDerWaalsContact O-N 3.15Å; A55-F59 PolarHBondContact O-N 3.07Å; A55-F59 VanDerWaalsContact O-N 3.12Å; A55-Y78 HydrophobicContact CB-CE2 4.45Å; A55-Y78 WeakPolarHBondContact CB-OH 3.16Å
56	L	95.3	Very high	91.6	Very high	32 Å²	32	45.5 Å²	45.5	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-70.6	-45.2	174.4	174.1	63.2	0	0	0	110.8	R49 E53 H58 F59 Q60 Y78	R49-L56 HydrophobicContact CB-CB 4.46Å; E53-L56 HydrophobicContact CB-CB 4.27Å; E53-L56 HydrophobicContact CG-CD2 4.47Å; E53-L56 WeakPolarHBondContact O-CA 3.47Å; E53-L56 WeakPolarHBondContact O-CB 3.46Å; E53-L56 PolarHBondContact O-N 3.24Å; L56-H58 VanDerWaalsContact C-N 3.29Å; L56-H58 PolarHBondContact O-N 3.19Å; L56-F59 HydrophobicContact CD1-CD1 4.29Å; L56-F59 WeakPolarHBondContact O-CB 3.43Å; L56-F59 PolarHBondContact O-N 2.97Å; L56-F59 VanDerWaalsContact O-N 3.13Å; L56-Q60 HydrophobicContact CD1-CG 4.45Å; L56-Q60 WeakPolarHBondContact O-CG 3.29Å; L56-Q60 PolarHBondContact O-N 3.22Å; L56-Y78 HydrophobicContact CB-CE1 3.92Å; L56-Y78 HydrophobicContact CD1-CD1 3.71Å; L56-Y78 HydrophobicContact CD1-CE1 3.82Å; L56-Y78 HydrophobicContact CG-CE1 4.48Å; L56-Y78 PolarHBondContact N-OH 3.23Å
57	Q	96.8	Very high	91.5	Very high	73 Å²	73	45.8 Å²	45.8	34%	0.341	23%	0.23	S	C	.	.	H	α-helix	trans	-58.9	-42.4	175.4	-66.9	170.7	17.7	0	0	111.2	E53 H54 F59 Q60 Q61	E53-Q57 WeakPolarHBondContact O-CG 3.38Å; E53-Q57 PolarHBondContact O-N 2.91Å; H54-Q57 PolarHBondContact CD2-OE1 2.77Å; Q57-F59 PolarHBondContact O-N 3.04Å; Q57-Q60 PolarHBondContact O-N 3.39Å; Q57-Q61 VanDerWaalsContact O-CG 3.27Å; Q57-Q61 WeakPolarHBondContact O-CG 3.16Å; Q57-Q61 PolarHBondContact O-N 3.01Å
58	H	96.1	Very high	91.5	Very high	24 Å²	24	45.8 Å²	45.8	11%	0.111	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-45.7	173.8	175.3	75	0	0	0	112.2	C39 C42 N44 H54 L56 Q61 T62 H64	C39-H58 PolarHBondContact SG-NE2 3.11Å; C42-H58 PolarHBondContact SG-CE1 3.05Å; C42-H58 PolarHBondContact SG-NE2 3.15Å; C42-H58 VanDerWaalsContact SG-NE2 3.43Å; N44-H58 PolarHBondContact ND2-ND1 3.3Å; H54-H58 WeakPolarHBondContact O-CB 3.26Å; H54-H58 PolarHBondContact O-N 3.22Å; L56-H58 VanDerWaalsContact C-N 3.29Å; L56-H58 PolarHBondContact O-N 3.19Å; H58-Q61 PolarHBondContact O-N 2.82Å; H58-T62 PolarHBondContact NE2-OG1 3.2Å; H58-T62 WeakPolarHBondContact O-CB 3.27Å; H58-T62 PolarHBondContact O-N 2.9Å; H58-T62 PolarHBondContact O-OG1 3.22Å; H58-H64 AromaticContact CE1-ND1 3.85Å; H58-H64 AromaticContact NE2-ND1 3.35Å; H58-H64 PolarHBondContact NE2-ND1 3.16Å
59	F	95.9	Very high	91.7	Very high	30 Å²	30	45.6 Å²	45.6	13%	0.132	23%	0.228	C	C	.	.	H	α-helix	trans	-59	-47.3	175	164	-111.8	0	0	0	111.5	A55 L56 Q57 Q61 T62 N63 H64 P65 Y78 I79	A55-F59 PolarHBondContact O-N 3.07Å; A55-F59 VanDerWaalsContact O-N 3.12Å; L56-F59 HydrophobicContact CD1-CD1 4.29Å; L56-F59 WeakPolarHBondContact O-CB 3.43Å; L56-F59 PolarHBondContact O-N 2.97Å; L56-F59 VanDerWaalsContact O-N 3.13Å; Q57-F59 PolarHBondContact O-N 3.04Å; F59-Q61 PolarHBondContact O-N 2.86Å; F59-T62 PolarHBondContact O-N 2.87Å; F59-N63 VanDerWaalsContact O-CA 3.25Å; F59-N63 WeakPolarHBondContact O-CA 3.45Å; F59-N63 PolarHBondContact O-N 2.9Å; F59-H64 VanDerWaalsContact CD2-O 3.31Å; F59-H64 WeakPolarHBondContact CD2-O 3.37Å; F59-P65 HydrophobicContact CE2-CB 4.29Å; F59-Y78 HydrophobicContact CB-CD2 3.84Å; F59-Y78 HydrophobicContact CB-CE2 4.39Å; F59-Y78 HydrophobicContact CB-CG 3.97Å; F59-Y78 VanDerWaalsContact CD1-CB 3.4Å; F59-Y78 HydrophobicContact CD1-CD1 4.3Å; F59-Y78 AromaticContact CD1-CG 3.88Å; F59-Y78 HydrophobicContact CD1-CG 3.88Å; F59-Y78 HydrophobicContact CD2-CG 4.49Å; F59-Y78 HydrophobicContact CG-CD2 4.1Å; F59-Y78 AromaticContact CG-CG 3.84Å; F59-Y78 HydrophobicContact CG-CG 3.84Å; F59-I79 HydrophobicContact CE2-CG1 3.9Å; F59-I79 HydrophobicContact CZ-CG1 3.83Å
60	Q	96.4	Very high	92.1	Very high	124 Å²	124	43 Å²	43	58%	0.579	22%	0.218	S	C	*	.	H	α-helix	trans	-60.1	-33.6	179.3	-70.3	169.2	-19.1	0	0	112.8	L56 Q57	L56-Q60 HydrophobicContact CD1-CG 4.45Å; L56-Q60 WeakPolarHBondContact O-CG 3.29Å; L56-Q60 PolarHBondContact O-N 3.22Å; Q57-Q60 PolarHBondContact O-N 3.39Å
61	Q	96.8	Very high	92.5	Very high	153 Å²	153	42.9 Å²	42.9	72%	0.715	22%	0.219	S	C	*	.	H	α-helix	trans	-81.5	-32.1	-179.9	-70.5	169.8	-0.4	0	0	113.6	Q57 H58 F59	Q57-Q61 VanDerWaalsContact O-CG 3.27Å; Q57-Q61 WeakPolarHBondContact O-CG 3.16Å; Q57-Q61 PolarHBondContact O-N 3.01Å; H58-Q61 PolarHBondContact O-N 2.82Å; F59-Q61 PolarHBondContact O-N 2.86Å
62	T	94.6	Very high	92.9	Very high	51 Å²	51	42.9 Å²	42.9	31%	0.313	22%	0.219	S	C	.	.	H	α-helix	trans	-114.6	-13.2	-169	62.7	0	0	0	0	114.3	H58 F59 H64	H58-T62 PolarHBondContact NE2-OG1 3.2Å; H58-T62 WeakPolarHBondContact O-CB 3.27Å; H58-T62 PolarHBondContact O-N 2.9Å; H58-T62 PolarHBondContact O-OG1 3.22Å; F59-T62 PolarHBondContact O-N 2.87Å; T62-H64 PolarHBondContact O-N 3.34Å; T62-H64 WeakPolarHBondContact OG1-CB 3.18Å; T62-H64 VanDerWaalsContact OG1-CG 3.31Å; T62-H64 PolarHBondContact OG1-N 2.98Å; T62-H64 PolarHBondContact OG1-ND1 2.91Å
63	N	94.5	Very high	93	Very high	121 Å²	121	42.1 Å²	42.1	65%	0.647	21%	0.209	S	C	*	.			trans	54.2	25.4	-167.6	-76.3	-30.9	0	0	0	114.1	F59 P65	F59-N63 VanDerWaalsContact O-CA 3.25Å; F59-N63 WeakPolarHBondContact O-CA 3.45Å; F59-N63 PolarHBondContact O-N 2.9Å; N63-P65 WeakPolarHBondContact O-CD 2.79Å
64	H	93.1	Very high	92.9	Very high	52 Å²	52	39.9 Å²	39.9	24%	0.241	20%	0.198	C	C	.	.			trans	-79.5	104.9	172.9	-66.3	157.9	0	0	0	111.3	C39 S41 C42 H58 F59 T62 L66	C39-H64 VanDerWaalsContact SG-CB 3.55Å; S41-H64 WeakPolarHBondContact CB-CD2 3.4Å; S41-H64 VanDerWaalsContact CB-CG 3.46Å; C42-H64 PolarHBondContact SG-ND1 2.85Å; H58-H64 AromaticContact CE1-ND1 3.85Å; H58-H64 AromaticContact NE2-ND1 3.35Å; H58-H64 PolarHBondContact NE2-ND1 3.16Å; F59-H64 VanDerWaalsContact CD2-O 3.31Å; F59-H64 WeakPolarHBondContact CD2-O 3.37Å; T62-H64 PolarHBondContact O-N 3.34Å; T62-H64 WeakPolarHBondContact OG1-CB 3.18Å; T62-H64 VanDerWaalsContact OG1-CG 3.31Å; T62-H64 PolarHBondContact OG1-N 2.98Å; T62-H64 PolarHBondContact OG1-ND1 2.91Å; H64-L66 PolarHBondContact O-N 2.82Å
65	P	92.1	Very high	92.6	Very high	24 Å²	24	38.4 Å²	38.4	16%	0.156	19%	0.191	C	C	.	.			trans	-79.9	-21.7	-162.6	31.8	-35.8	0	0	0	114.5	F59 N63 C77 Y78 I79	F59-P65 HydrophobicContact CE2-CB 4.29Å; N63-P65 WeakPolarHBondContact O-CD 2.79Å; P65-C77 CarbonylContact O-C 3.4Å; P65-C77 WeakPolarHBondContact O-CA 3.07Å; P65-Y78 PolarHBondContact O-N 3.06Å; P65-I79 HydrophobicContact CB-CB 4.43Å; P65-I79 HydrophobicContact CB-CD1 3.53Å; P65-I79 HydrophobicContact CB-CG1 3.7Å; P65-I79 HydrophobicContact CG-CD1 4.19Å
66	L	92	Very high	92.4	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.8	-167.4	-69.7	169.5	0	0	0	112	H7 V8 V11 L40 H64 V75 Y76 C77 V84	H7-L66 HydrophobicContact CB-CD1 4.37Å; H7-L66 HydrophobicContact CB-CG 4.48Å; H7-L66 WeakPolarHBondContact O-CD1 3.19Å; V8-L66 HydrophobicContact CG2-CD1 4.49Å; V8-L66 HydrophobicContact CG2-CD2 4.24Å; V11-L66 HydrophobicContact CG2-CD1 3.58Å; L40-L66 HydrophobicContact CB-CB 4.16Å; L40-L66 HydrophobicContact CD1-CB 4.11Å; L40-L66 HydrophobicContact CG-CB 4.47Å; L40-L66 PolarHBondContact N-O 3.27Å; H64-L66 PolarHBondContact O-N 2.82Å; L66-V75 HydrophobicContact CD2-CG1 4.34Å; L66-Y76 WeakPolarHBondContact CA-O 3.17Å; L66-C77 HydrophobicContact CD2-CB 3.69Å; L66-V84 HydrophobicContact CD2-CG2 4.28Å
67	C	93	Very high	92.3	Very high	7 Å²	7	36.8 Å²	36.8	5%	0.047	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	159.2	171.3	58.5	0	0	0	0	111.4	W37 A38 V75 Y76	W37-C67 HydrophobicContact CB-CB 4.11Å; W37-C67 HydrophobicContact CE3-CB 4.19Å; A38-C67 CarbonylContact O-C 3.6Å; A38-C67 WeakPolarHBondContact O-CA 3.45Å; A38-C67 VanDerWaalsContact O-CB 3.29Å; A38-C67 WeakPolarHBondContact O-CB 3.08Å; C67-V75 WeakPolarHBondContact O-CA 3.06Å; C67-Y76 PolarHBondContact N-O 3.41Å; C67-Y76 VanDerWaalsContact N-O 3.15Å; C67-Y76 PolarHBondContact O-N 2.8Å
68	I	92.2	Very high	92.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.9	175.5	-170.2	168.1	0	0	0	110.2	W37 A38 L40 K73 F74 V75 L96 R97 L100	W37-I68 CarbonylContact C-O 3.48Å; W37-I68 WeakPolarHBondContact CA-O 3.21Å; A38-I68 HydrophobicContact CB-CG2 4.1Å; A38-I68 PolarHBondContact N-O 3.08Å; A38-I68 PolarHBondContact O-N 2.98Å; L40-I68 HydrophobicContact CD2-CB 4.19Å; L40-I68 HydrophobicContact CD2-CG2 3.68Å; L40-I68 HydrophobicContact CG-CG2 4.45Å; I68-K73 HydrophobicContact CD1-CB 4.33Å; I68-F74 CarbonylContact C-O 3.47Å; I68-F74 WeakPolarHBondContact CA-O 3.45Å; I68-V75 HydrophobicContact CB-CG2 4.16Å; I68-V75 HydrophobicContact CD1-CG2 3.96Å; I68-V75 HydrophobicContact CG1-CG2 3.87Å; I68-L96 HydrophobicContact CD1-CD2 4.05Å; I68-L96 HydrophobicContact CD1-CG 4.25Å; I68-L96 HydrophobicContact CG2-CD2 4.09Å; I68-R97 HydrophobicContact CD1-CG 4.35Å; I68-L100 HydrophobicContact CD1-CD1 3.99Å
69	E	91.2	Very high	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.7	172.1	-155.4	-70.6	151.7	0	0	108.7	S35 V36 W37 N71 E72 K73 F74	S35-E69 WeakPolarHBondContact CA-OE1 3.48Å; V36-E69 PolarHBondContact N-OE1 3.08Å; V36-E69 WeakPolarHBondContact O-CA 3.09Å; W37-E69 HydrophobicContact CD2-CB 3.89Å; W37-E69 HydrophobicContact CD2-CG 4.19Å; W37-E69 HydrophobicContact CE3-CB 3.9Å; W37-E69 VanDerWaalsContact CE3-N 3.32Å; W37-E69 HydrophobicContact CH2-CB 3.92Å; W37-E69 HydrophobicContact CZ2-CB 3.88Å; W37-E69 HydrophobicContact CZ2-CG 4.05Å; W37-E69 HydrophobicContact CZ3-CB 3.92Å; E69-N71 PolarHBondContact O-N 3.32Å; E69-N71 PolarHBondContact OE1-ND2 2.96Å; E69-N71 WeakPolarHBondContact OE2-CA 3.47Å; E69-N71 WeakPolarHBondContact OE2-CB 3.49Å; E69-N71 PolarHBondContact OE2-N 2.79Å; E69-E72 PolarHBondContact OE2-N 3.31Å; E69-K73 WeakPolarHBondContact O-CA 3.33Å; E69-K73 PolarHBondContact O-N 2.92Å; E69-F74 PolarHBondContact N-O 3.32Å
70	V	90.1	Very high	91.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-25	-166.6	-61.8	0	0	0	0	114.3	W25 V36 A38 F45	W25-V70 HydrophobicContact CB-CG2 4.27Å; W25-V70 HydrophobicContact CD2-CG2 4.34Å; W25-V70 HydrophobicContact CG-CG2 4.14Å; V36-V70 HydrophobicContact CB-CG2 4.03Å; V36-V70 HydrophobicContact CG1-CG2 4.41Å; V36-V70 PolarHBondContact O-N 3.35Å; A38-V70 HydrophobicContact CB-CG1 3.95Å; F45-V70 HydrophobicContact CD1-CG1 4.29Å; F45-V70 HydrophobicContact CE1-CG1 3.98Å
71	N	86.1	Confident	91.4	Very high	22 Å²	22	36.7 Å²	36.7	12%	0.118	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-37.3	-174.7	-58.6	-63.8	0	0	0	112.7	E69 K73 N199	E69-N71 PolarHBondContact O-N 3.32Å; E69-N71 PolarHBondContact OE1-ND2 2.96Å; E69-N71 WeakPolarHBondContact OE2-CA 3.47Å; E69-N71 WeakPolarHBondContact OE2-CB 3.49Å; E69-N71 PolarHBondContact OE2-N 2.79Å; N71-K73 WeakPolarHBondContact O-CE 3.3Å; N71-K73 PolarHBondContact O-NZ 3.15Å; N71-N199 PolarHBondContact OD1-ND2 3.37Å
72	E	85.6	Confident	91	Very high	30 Å²	30	30.9 Å²	30.9	14%	0.14	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-10.1	-175.2	-64.8	-176.3	141.4	0	0	113.4	E69 F74 R147	E69-E72 PolarHBondContact OE2-N 3.31Å; E72-F74 HydrophobicContact CB-CD2 3.6Å; E72-F74 HydrophobicContact CB-CE2 3.6Å; E72-F74 HydrophobicContact CB-CG 4.47Å; E72-F74 HydrophobicContact CB-CZ 4.46Å; E72-F74 HydrophobicContact CG-CE2 4.22Å; E72-F74 PolarHBondContact O-N 3.12Å; E72-F74 VanDerWaalsContact OE2-CD2 3.27Å; E72-F74 WeakPolarHBondContact OE2-CD2 3.33Å; E72-F74 WeakPolarHBondContact OE2-CE2 3.25Å; E72-R147 WeakPolarHBondContact OE1-CD 3.49Å; E72-R147 IonicContact OE1-CZ 2.78Å; E72-R147 IonicContact OE1-NE 2.67Å; E72-R147 PolarHBondContact OE1-NE 2.73Å; E72-R147 IonicContact OE1-NH1 3.29Å; E72-R147 PolarHBondContact OE1-NH1 3.26Å; E72-R147 IonicContact OE1-NH2 3.33Å; E72-R147 WeakPolarHBondContact OE2-CD 3.44Å; E72-R147 IonicContact OE2-CZ 3.31Å; E72-R147 IonicContact OE2-NE 2.86Å; E72-R147 PolarHBondContact OE2-NE 2.98Å; E72-R147 IonicContact OE2-NH1 3.07Å; E72-R147 IonicContact OE2-NH2 2.73Å
73	K	88.5	Confident	90.7	Very high	37 Å²	37	28.8 Å²	28.8	16%	0.161	15%	0.151	C	C	.	.			trans	64.1	21	172.5	-45.3	103.6	-154	177.4	0	114.7	I68 E69 N71 R97 L100 D101	I68-K73 HydrophobicContact CD1-CB 4.33Å; E69-K73 WeakPolarHBondContact O-CA 3.33Å; E69-K73 PolarHBondContact O-N 2.92Å; N71-K73 WeakPolarHBondContact O-CE 3.3Å; N71-K73 PolarHBondContact O-NZ 3.15Å; K73-R97 HydrophobicContact CB-CB 4.25Å; K73-R97 HydrophobicContact CB-CG 3.86Å; K73-R97 HydrophobicContact CG-CB 4.45Å; K73-R97 PolarHBondContact O-NE 2.95Å; K73-L100 HydrophobicContact CG-CB 4.46Å; K73-L100 HydrophobicContact CG-CD1 4.36Å; K73-D101 WeakPolarHBondContact CE-OD1 3.34Å; K73-D101 IonicContact NZ-OD1 3.94Å; K73-D101 PolarHBondContact NZ-OD1 2.99Å
74	F	88.8	Confident	90.3	Very high	14 Å²	14	23.3 Å²	23.3	6%	0.061	12%	0.122	C	C	.	.			trans	-67.5	136.2	168.9	-65.5	-51.5	0	0	0	110	W37 I68 E69 E72 F83 A144	W37-F74 HydrophobicContact CH2-CB 4.12Å; W37-F74 VanDerWaalsContact CZ3-O 3.23Å; W37-F74 WeakPolarHBondContact CZ3-O 3.5Å; I68-F74 CarbonylContact C-O 3.47Å; I68-F74 WeakPolarHBondContact CA-O 3.45Å; E69-F74 PolarHBondContact N-O 3.32Å; E72-F74 HydrophobicContact CB-CD2 3.6Å; E72-F74 HydrophobicContact CB-CE2 3.6Å; E72-F74 HydrophobicContact CB-CG 4.47Å; E72-F74 HydrophobicContact CB-CZ 4.46Å; E72-F74 HydrophobicContact CG-CE2 4.22Å; E72-F74 PolarHBondContact O-N 3.12Å; E72-F74 VanDerWaalsContact OE2-CD2 3.27Å; E72-F74 WeakPolarHBondContact OE2-CD2 3.33Å; E72-F74 WeakPolarHBondContact OE2-CE2 3.25Å; F74-F83 HydrophobicContact CB-CD1 4.09Å; F74-F83 HydrophobicContact CB-CE1 3.95Å; F74-F83 HydrophobicContact CG-CE1 4.37Å; F74-A144 HydrophobicContact CD1-CB 3.79Å; F74-A144 HydrophobicContact CE1-CB 3.27Å; F74-A144 HydrophobicContact CZ-CB 3.85Å
75	V	90.4	Very high	89.5	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.4	176.6	177.2	0	0	0	0	108	L40 L66 C67 I68 F83 V84 I93	L40-V75 HydrophobicContact CD1-CG1 4.42Å; L66-V75 HydrophobicContact CD2-CG1 4.34Å; C67-V75 WeakPolarHBondContact O-CA 3.06Å; I68-V75 HydrophobicContact CB-CG2 4.16Å; I68-V75 HydrophobicContact CD1-CG2 3.96Å; I68-V75 HydrophobicContact CG1-CG2 3.87Å; V75-F83 WeakPolarHBondContact O-CA 3.31Å; V75-V84 HydrophobicContact CB-CB 3.97Å; V75-V84 HydrophobicContact CG1-CB 3.81Å; V75-V84 HydrophobicContact CG1-CG1 4.29Å; V75-V84 HydrophobicContact CG1-CG2 4.03Å; V75-V84 PolarHBondContact O-N 2.8Å; V75-I93 HydrophobicContact CG2-CG2 3.84Å
76	Y	91.7	Very high	88.8	Confident	4 Å²	4	23 Å²	23	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.6	179.9	-170.2	-91.9	0	0	0	110.3	W37 R49 L66 C67 Y78 D81 D82 F83	W37-Y76 VanDerWaalsContact CZ3-CB 3.44Å; R49-Y76 PolarHBondContact NH1-OH 2.92Å; L66-Y76 WeakPolarHBondContact CA-O 3.17Å; C67-Y76 PolarHBondContact N-O 3.41Å; C67-Y76 VanDerWaalsContact N-O 3.15Å; C67-Y76 PolarHBondContact O-N 2.8Å; Y76-Y78 HydrophobicContact CD1-CD1 4.07Å; Y76-Y78 HydrophobicContact CD1-CD2 4.11Å; Y76-Y78 HydrophobicContact CD1-CE1 4.05Å; Y76-Y78 HydrophobicContact CD1-CE2 4.1Å; Y76-Y78 HydrophobicContact CD1-CG 4.09Å; Y76-Y78 AromaticContact CE1-CD1 3.58Å; Y76-Y78 HydrophobicContact CE1-CD1 3.58Å; Y76-Y78 HydrophobicContact CE1-CD2 4.41Å; Y76-Y78 AromaticContact CE1-CE1 3.74Å; Y76-Y78 HydrophobicContact CE1-CE1 3.74Å; Y76-Y78 AromaticContact CE1-CG 3.92Å; Y76-Y78 HydrophobicContact CE1-CG 3.92Å; Y76-D81 WeakPolarHBondContact OH-CA 3.5Å; Y76-D81 PolarHBondContact OH-O 3.48Å; Y76-D81 PolarHBondContact OH-OD1 2.7Å; Y76-D82 PolarHBondContact OH-N 3.16Å; Y76-F83 HydrophobicContact CD2-CD1 4.22Å; Y76-F83 AromaticContact CD2-CD2 3.91Å; Y76-F83 HydrophobicContact CD2-CD2 3.91Å; Y76-F83 HydrophobicContact CD2-CE1 4.32Å; Y76-F83 AromaticContact CD2-CE2 3.95Å; Y76-F83 HydrophobicContact CD2-CE2 3.95Å; Y76-F83 HydrophobicContact CD2-CG 4.04Å; Y76-F83 HydrophobicContact CD2-CZ 4.19Å; Y76-F83 HydrophobicContact CE2-CD2 4.12Å; Y76-F83 HydrophobicContact CE2-CE2 4.13Å
77	C	92.8	Very high	88.2	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	109.4	178.5	-179.5	0	0	0	0	109.9	H7 P65 L66 I79 C80 D81 D82 V84	H7-C77 PolarHBondContact ND1-SG 3.32Å; H7-C77 VanDerWaalsContact ND1-SG 3.42Å; P65-C77 CarbonylContact O-C 3.4Å; P65-C77 WeakPolarHBondContact O-CA 3.07Å; L66-C77 HydrophobicContact CD2-CB 3.69Å; C77-I79 VanDerWaalsContact C-N 3.3Å; C77-I79 PolarHBondContact O-N 2.6Å; C77-C80 HydrophobicContact CB-CB 3.97Å; C77-C80 CarbonylContact O-C 3.53Å; C77-C80 PolarHBondContact O-N 2.72Å; C77-C80 PolarHBondContact SG-N 3.21Å; C77-C80 VanDerWaalsContact SG-SG 3.6Å; C77-D81 WeakPolarHBondContact O-CA 3.23Å; C77-D81 PolarHBondContact O-N 3.22Å; C77-D82 PolarHBondContact N-O 3.41Å; C77-D82 PolarHBondContact O-N 3.22Å; C77-V84 HydrophobicContact CB-CG2 3.85Å
78	Y	93	Very high	87.6	Confident	19 Å²	19	25 Å²	25	8%	0.075	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.6	-179.3	-75.2	-76.6	0	0	0	114.1	R49 A55 L56 F59 P65 Y76	R49-Y78 HydrophobicContact CB-CE1 4.27Å; A55-Y78 HydrophobicContact CB-CE2 4.45Å; A55-Y78 WeakPolarHBondContact CB-OH 3.16Å; L56-Y78 HydrophobicContact CB-CE1 3.92Å; L56-Y78 HydrophobicContact CD1-CD1 3.71Å; L56-Y78 HydrophobicContact CD1-CE1 3.82Å; L56-Y78 HydrophobicContact CG-CE1 4.48Å; L56-Y78 PolarHBondContact N-OH 3.23Å; F59-Y78 HydrophobicContact CB-CD2 3.84Å; F59-Y78 HydrophobicContact CB-CE2 4.39Å; F59-Y78 HydrophobicContact CB-CG 3.97Å; F59-Y78 VanDerWaalsContact CD1-CB 3.4Å; F59-Y78 HydrophobicContact CD1-CD1 4.3Å; F59-Y78 AromaticContact CD1-CG 3.88Å; F59-Y78 HydrophobicContact CD1-CG 3.88Å; F59-Y78 HydrophobicContact CD2-CG 4.49Å; F59-Y78 HydrophobicContact CG-CD2 4.1Å; F59-Y78 AromaticContact CG-CG 3.84Å; F59-Y78 HydrophobicContact CG-CG 3.84Å; P65-Y78 PolarHBondContact O-N 3.06Å; Y76-Y78 HydrophobicContact CD1-CD1 4.07Å; Y76-Y78 HydrophobicContact CD1-CD2 4.11Å; Y76-Y78 HydrophobicContact CD1-CE1 4.05Å; Y76-Y78 HydrophobicContact CD1-CE2 4.1Å; Y76-Y78 HydrophobicContact CD1-CG 4.09Å; Y76-Y78 AromaticContact CE1-CD1 3.58Å; Y76-Y78 HydrophobicContact CE1-CD1 3.58Å; Y76-Y78 HydrophobicContact CE1-CD2 4.41Å; Y76-Y78 AromaticContact CE1-CE1 3.74Å; Y76-Y78 HydrophobicContact CE1-CE1 3.74Å; Y76-Y78 AromaticContact CE1-CG 3.92Å; Y76-Y78 HydrophobicContact CE1-CG 3.92Å
79	I	92.9	Very high	86.6	Confident	93 Å²	93	29.8 Å²	29.8	48%	0.477	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-38.7	173.2	-64.7	176.2	0	0	0	111.2	H7 F59 P65 C77	H7-I79 WeakPolarHBondContact CE1-CG2 3.45Å; F59-I79 HydrophobicContact CE2-CG1 3.9Å; F59-I79 HydrophobicContact CZ-CG1 3.83Å; P65-I79 HydrophobicContact CB-CB 4.43Å; P65-I79 HydrophobicContact CB-CD1 3.53Å; P65-I79 HydrophobicContact CB-CG1 3.7Å; P65-I79 HydrophobicContact CG-CD1 4.19Å; C77-I79 VanDerWaalsContact C-N 3.3Å; C77-I79 PolarHBondContact O-N 2.6Å
80	C	91.2	Very high	86	Confident	42 Å²	42	32.9 Å²	32.9	28%	0.284	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.9	175.5	-67.2	0	0	0	0	112.4	T2 H7 C77 D82	T2-C80 HydrophobicContact CG2-CB 4.19Å; H7-C80 PolarHBondContact ND1-SG 3.35Å; C77-C80 HydrophobicContact CB-CB 3.97Å; C77-C80 CarbonylContact O-C 3.53Å; C77-C80 PolarHBondContact O-N 2.72Å; C77-C80 PolarHBondContact SG-N 3.21Å; C77-C80 VanDerWaalsContact SG-SG 3.6Å; C80-D82 HydrophobicContact CB-CB 4.4Å; C80-D82 PolarHBondContact O-N 2.73Å
81	D	89.8	Confident	85.5	Confident	95 Å²	95	33.1 Å²	33.1	51%	0.508	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	35.8	-170.4	-166.3	36.5	0	0	0	112.8	R49 Y76 C77	R49-D81 IonicContact CZ-OD1 3.51Å; R49-D81 IonicContact NH1-OD1 2.66Å; R49-D81 PolarHBondContact NH1-OD1 2.85Å; R49-D81 IonicContact NH2-OD1 3.55Å; R49-D81 PolarHBondContact NH2-OD1 3.05Å; Y76-D81 WeakPolarHBondContact OH-CA 3.5Å; Y76-D81 PolarHBondContact OH-O 3.48Å; Y76-D81 PolarHBondContact OH-OD1 2.7Å; C77-D81 WeakPolarHBondContact O-CA 3.23Å; C77-D81 PolarHBondContact O-N 3.22Å
82	D	87.1	Confident	85.2	Confident	30 Å²	30	32.4 Å²	32.4	16%	0.16	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	159.7	-169.4	-151.1	-13.7	0	0	0	113.7	M1 T2 Y76 C77 C80	M1-D82 WeakPolarHBondContact CA-OD1 3.38Å; M1-D82 WeakPolarHBondContact CA-OD2 3.42Å; M1-D82 VanDerWaalsContact N-CG 3.3Å; M1-D82 PolarHBondContact N-OD1 3.31Å; M1-D82 PolarHBondContact N-OD2 2.98Å; T2-D82 HydrophobicContact CG2-CB 4.18Å; T2-D82 PolarHBondContact N-OD2 2.76Å; Y76-D82 PolarHBondContact OH-N 3.16Å; C77-D82 PolarHBondContact N-O 3.41Å; C77-D82 PolarHBondContact O-N 3.22Å; C80-D82 HydrophobicContact CB-CB 4.4Å; C80-D82 PolarHBondContact O-N 2.73Å
83	F	88.7	Confident	85.2	Confident	8 Å²	8	31 Å²	31	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	142.2	172	-73.3	-94.1	0	0	0	111	M1 T2 W37 F74 V75 Y76 N148	M1-F83 HydrophobicContact CG-CB 4.41Å; T2-F83 PolarHBondContact N-O 3.42Å; T2-F83 VanDerWaalsContact N-O 3.13Å; T2-F83 PolarHBondContact OG1-O 3.01Å; W37-F83 AromaticContact CH2-CE1 3.83Å; W37-F83 HydrophobicContact CH2-CE1 3.83Å; W37-F83 HydrophobicContact CH2-CZ 4.46Å; W37-F83 HydrophobicContact CZ2-CE1 4.47Å; F74-F83 HydrophobicContact CB-CD1 4.09Å; F74-F83 HydrophobicContact CB-CE1 3.95Å; F74-F83 HydrophobicContact CG-CE1 4.37Å; V75-F83 WeakPolarHBondContact O-CA 3.31Å; Y76-F83 HydrophobicContact CD2-CD1 4.22Å; Y76-F83 AromaticContact CD2-CD2 3.91Å; Y76-F83 HydrophobicContact CD2-CD2 3.91Å; Y76-F83 HydrophobicContact CD2-CE1 4.32Å; Y76-F83 AromaticContact CD2-CE2 3.95Å; Y76-F83 HydrophobicContact CD2-CE2 3.95Å; Y76-F83 HydrophobicContact CD2-CG 4.04Å; Y76-F83 HydrophobicContact CD2-CZ 4.19Å; Y76-F83 HydrophobicContact CE2-CD2 4.12Å; Y76-F83 HydrophobicContact CE2-CE2 4.13Å; F83-N148 HydrophobicContact CD2-CB 3.86Å; F83-N148 HydrophobicContact CE2-CB 3.51Å; F83-N148 VanDerWaalsContact CE2-CG 3.42Å; F83-N148 WeakPolarHBondContact CE2-OD1 3.3Å; F83-N148 HydrophobicContact CZ-CB 4.27Å
84	V	85.9	Confident	84.9	Confident	6 Å²	6	31.8 Å²	31.8	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112.3	174.7	176.8	0	0	0	0	108.3	C5 V8 L66 V75 C77 N86	C5-V84 HydrophobicContact CB-CG1 4.35Å; C5-V84 HydrophobicContact CB-CG2 3.78Å; V8-V84 HydrophobicContact CG2-CB 4.36Å; V8-V84 HydrophobicContact CG2-CG1 3.48Å; V8-V84 VanDerWaalsContact CG2-CG1 3.48Å; V8-V84 HydrophobicContact CG2-CG2 3.99Å; L66-V84 HydrophobicContact CD2-CG2 4.28Å; V75-V84 HydrophobicContact CB-CB 3.97Å; V75-V84 HydrophobicContact CG1-CB 3.81Å; V75-V84 HydrophobicContact CG1-CG1 4.29Å; V75-V84 HydrophobicContact CG1-CG2 4.03Å; V75-V84 PolarHBondContact O-N 2.8Å; C77-V84 HydrophobicContact CB-CG2 3.85Å; V84-N86 WeakPolarHBondContact CG1-O 2.84Å
85	L	77	Confident	84.7	Confident	15 Å²	15	32 Å²	32	8%	0.079	19%	0.187	C	C	.	.			trans	-84.5	-49.1	-178.1	-65.7	-179.2	0	0	0	112	M1 D3 L136 I141	M1-L85 HydrophobicContact CB-CD1 3.77Å; M1-L85 HydrophobicContact CB-CG 4.11Å; M1-L85 HydrophobicContact CE-CD1 4.26Å; M1-L85 HydrophobicContact CG-CD1 4.34Å; M1-L85 HydrophobicContact SD-CD1 3.79Å; M1-L85 HydrophobicContact SD-CD2 3.8Å; M1-L85 HydrophobicContact SD-CG 4.1Å; D3-L85 WeakPolarHBondContact OD1-CD1 3.47Å; L85-L136 WeakPolarHBondContact O-CD1 3.47Å; L85-I141 HydrophobicContact CD1-CG2 4.1Å; L85-I141 HydrophobicContact CD2-CG2 4.25Å
86	N	77.6	Confident	84.5	Confident	53 Å²	53	32.3 Å²	32.3	28%	0.283	19%	0.189	S	C	.	.	S	Bend	trans	-80.6	143.2	-176	-66.7	-30.9	0	0	0	112.1	D3 V84	D3-N86 WeakPolarHBondContact O-CB 3.23Å; D3-N86 PolarHBondContact O-ND2 3.3Å; V84-N86 WeakPolarHBondContact CG1-O 2.84Å
87	D	78.9	Confident	84.3	Confident	45 Å²	45	33.3 Å²	33.3	24%	0.241	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-67.4	155	165.2	-65.8	-42.8	0	0	0	109.9	I93 K94 R97	D87-I93 HydrophobicContact CB-CB 4.35Å; D87-I93 WeakPolarHBondContact OD1-CB 3.07Å; D87-I93 WeakPolarHBondContact OD1-CG2 3.48Å; D87-K94 HydrophobicContact CB-CB 4.17Å; D87-K94 PolarHBondContact OD1-N 2.81Å; D87-K94 WeakPolarHBondContact OD2-CB 3.42Å; D87-R97 IonicContact OD1-CZ 3.82Å; D87-R97 IonicContact OD1-NE 2.63Å; D87-R97 IonicContact OD1-NH1 3.03Å; D87-R97 PolarHBondContact OD1-NH1 3.1Å; D87-R97 IonicContact OD2-NH1 2.7Å
88	N	79.6	Confident	84	Confident	11 Å²	11	35.6 Å²	35.6	6%	0.059	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-63.9	149.3	171.2	63.1	-28.2	0	0	0	110.8	V8 P90 G91 D92 I93	V8-N88 HydrophobicContact CG1-CB 3.76Å; N88-P90 VanDerWaalsContact C-N 3.26Å; N88-P90 VanDerWaalsContact O-N 3.15Å; N88-G91 WeakPolarHBondContact O-CA 3.34Å; N88-G91 PolarHBondContact O-N 3.04Å; N88-G91 PolarHBondContact OD1-N 3.26Å; N88-D92 PolarHBondContact ND2-OD2 3.47Å; N88-D92 PolarHBondContact OD1-N 3.4Å; N88-I93 PolarHBondContact OD1-N 3.34Å
89	A	72.7	Confident	83.8	Confident	100 Å²	100	35.2 Å²	35.2	83%	0.826	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-36.2	178.8	0	0	0	0	0	114.6	G91	A89-G91 PolarHBondContact O-N 2.98Å
90	P	78	Confident	83.6	Confident	65 Å²	65	30.8 Å²	30.8	42%	0.422	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.6	172.1	-24.1	35.4	0	0	0	115.8	N88 F123	N88-P90 VanDerWaalsContact C-N 3.26Å; N88-P90 VanDerWaalsContact O-N 3.15Å; P90-F123 WeakPolarHBondContact O-CB 3.42Å
91	G	79	Confident	83.5	Confident	5 Å²	5	32 Å²	32	5%	0.052	19%	0.185	C	C	.	.			trans	80.3	15.5	179.5	0	0	0	0	0	115.4	N88 A89 K94 L95	N88-G91 WeakPolarHBondContact O-CA 3.34Å; N88-G91 PolarHBondContact O-N 3.04Å; N88-G91 PolarHBondContact OD1-N 3.26Å; A89-G91 PolarHBondContact O-N 2.98Å; G91-K94 WeakPolarHBondContact O-CB 3.38Å; G91-K94 PolarHBondContact O-N 2.77Å; G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 3.26Å
92	D	80.9	Confident	83.5	Confident	7 Å²	7	27.8 Å²	27.8	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-41.1	-179.6	-54.7	-49.9	0	0	0	111.9	I15 N88 L95 L96	I15-D92 HydrophobicContact CD1-CB 4.14Å; N88-D92 PolarHBondContact ND2-OD2 3.47Å; N88-D92 PolarHBondContact OD1-N 3.4Å; D92-L95 PolarHBondContact O-N 2.85Å; D92-L96 WeakPolarHBondContact O-CB 3.46Å; D92-L96 PolarHBondContact O-N 2.76Å
93	I	84.6	Confident	83.7	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-45.6	175.7	-59.3	-60.4	0	0	0	109.8	V8 V11 L40 V75 D87 N88 L95 L96 R97	V8-I93 HydrophobicContact CG1-CD1 4.28Å; V8-I93 HydrophobicContact CG1-CG1 3.73Å; V11-I93 HydrophobicContact CG2-CD1 4.35Å; L40-I93 HydrophobicContact CD1-CD1 3.7Å; V75-I93 HydrophobicContact CG2-CG2 3.84Å; D87-I93 HydrophobicContact CB-CB 4.35Å; D87-I93 WeakPolarHBondContact OD1-CB 3.07Å; D87-I93 WeakPolarHBondContact OD1-CG2 3.48Å; N88-I93 PolarHBondContact OD1-N 3.34Å; I93-L95 VanDerWaalsContact C-N 3.29Å; I93-L95 PolarHBondContact O-N 2.69Å; I93-L96 WeakPolarHBondContact O-CB 3.46Å; I93-L96 PolarHBondContact O-N 2.98Å; I93-R97 HydrophobicContact CG2-CG 4.4Å; I93-R97 WeakPolarHBondContact O-CG 3.42Å; I93-R97 PolarHBondContact O-N 3.2Å
94	K	83.1	Confident	83.8	Confident	53 Å²	53	27.1 Å²	27.1	23%	0.23	16%	0.161	C	C	.	.	H	α-helix	trans	-54.1	-48	177	-170.2	174.6	-179.4	171.6	0	111.7	D87 G91 R97 M98	D87-K94 HydrophobicContact CB-CB 4.17Å; D87-K94 PolarHBondContact OD1-N 2.81Å; D87-K94 WeakPolarHBondContact OD2-CB 3.42Å; G91-K94 WeakPolarHBondContact O-CB 3.38Å; G91-K94 PolarHBondContact O-N 2.77Å; K94-R97 PolarHBondContact O-N 3.17Å; K94-M98 WeakPolarHBondContact O-CG 3.4Å; K94-M98 PolarHBondContact O-N 2.95Å
95	L	83.1	Confident	84	Confident	20 Å²	20	29.5 Å²	29.5	11%	0.105	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-41.7	178	176.9	78.4	0	0	0	111.7	G91 D92 I93 R97 M98 A99 L111 I120 L121	G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 3.26Å; D92-L95 PolarHBondContact O-N 2.85Å; I93-L95 VanDerWaalsContact C-N 3.29Å; I93-L95 PolarHBondContact O-N 2.69Å; L95-R97 VanDerWaalsContact C-N 3.34Å; L95-R97 PolarHBondContact O-N 3.38Å; L95-M98 WeakPolarHBondContact O-CB 3.48Å; L95-M98 PolarHBondContact O-N 3.41Å; L95-A99 WeakPolarHBondContact O-CB 3.42Å; L95-A99 PolarHBondContact O-N 3.04Å; L95-L111 HydrophobicContact CD1-CD1 4.08Å; L95-I120 WeakPolarHBondContact CD1-O 3.43Å; L95-I120 HydrophobicContact CD2-CG2 4.29Å; L95-I120 WeakPolarHBondContact CD2-O 3.37Å; L95-L121 HydrophobicContact CD2-CD2 3.98Å; L95-L121 HydrophobicContact CD2-CG 4.49Å
96	L	86.6	Confident	84.5	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-43.4	175.4	-179.7	56.6	0	0	0	111.4	I15 I19 L20 L40 I68 D92 I93 M98 A99 L100	I15-L96 HydrophobicContact CD1-CB 4.14Å; I15-L96 HydrophobicContact CD1-CD2 4.2Å; I15-L96 HydrophobicContact CG2-CD1 3.96Å; I15-L96 HydrophobicContact CG2-CD2 4.06Å; I19-L96 HydrophobicContact CG2-CD1 4.18Å; L20-L96 HydrophobicContact CD2-CD1 4.08Å; L40-L96 HydrophobicContact CD2-CD2 3.56Å; I68-L96 HydrophobicContact CD1-CD2 4.05Å; I68-L96 HydrophobicContact CD1-CG 4.25Å; I68-L96 HydrophobicContact CG2-CD2 4.09Å; D92-L96 WeakPolarHBondContact O-CB 3.46Å; D92-L96 PolarHBondContact O-N 2.76Å; I93-L96 WeakPolarHBondContact O-CB 3.46Å; I93-L96 PolarHBondContact O-N 2.98Å; L96-M98 VanDerWaalsContact C-N 3.33Å; L96-M98 PolarHBondContact O-N 3.24Å; L96-A99 PolarHBondContact O-N 3.11Å; L96-L100 HydrophobicContact CD1-CD1 4.3Å; L96-L100 HydrophobicContact CD1-CG 4.24Å; L96-L100 HydrophobicContact CG-CD1 4.17Å; L96-L100 WeakPolarHBondContact O-CB 3.39Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.29Å
97	R	88.3	Confident	85	Confident	25 Å²	25	32.6 Å²	32.6	9%	0.094	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-47	173.6	-60.2	-169.7	169	142	-9.3	111.1	I68 K73 D87 I93 K94 L95 A99 L100 D101	I68-R97 HydrophobicContact CD1-CG 4.35Å; K73-R97 HydrophobicContact CB-CB 4.25Å; K73-R97 HydrophobicContact CB-CG 3.86Å; K73-R97 HydrophobicContact CG-CB 4.45Å; K73-R97 PolarHBondContact O-NE 2.95Å; D87-R97 IonicContact OD1-CZ 3.82Å; D87-R97 IonicContact OD1-NE 2.63Å; D87-R97 IonicContact OD1-NH1 3.03Å; D87-R97 PolarHBondContact OD1-NH1 3.1Å; D87-R97 IonicContact OD2-NH1 2.7Å; I93-R97 HydrophobicContact CG2-CG 4.4Å; I93-R97 WeakPolarHBondContact O-CG 3.42Å; I93-R97 PolarHBondContact O-N 3.2Å; K94-R97 PolarHBondContact O-N 3.17Å; L95-R97 VanDerWaalsContact C-N 3.34Å; L95-R97 PolarHBondContact O-N 3.38Å; R97-A99 VanDerWaalsContact C-N 3.35Å; R97-A99 PolarHBondContact O-N 2.83Å; R97-L100 PolarHBondContact O-N 2.86Å; R97-D101 WeakPolarHBondContact O-CB 3.42Å; R97-D101 PolarHBondContact O-N 3.18Å
98	M	86.4	Confident	85.4	Confident	49 Å²	49	35.1 Å²	35.1	24%	0.241	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-38.6	177	-69.6	178.6	63	0	0	113	K94 L95 L96 A102 Q114	K94-M98 WeakPolarHBondContact O-CG 3.4Å; K94-M98 PolarHBondContact O-N 2.95Å; L95-M98 WeakPolarHBondContact O-CB 3.48Å; L95-M98 PolarHBondContact O-N 3.41Å; L96-M98 VanDerWaalsContact C-N 3.33Å; L96-M98 PolarHBondContact O-N 3.24Å; M98-A102 WeakPolarHBondContact O-CB 3.33Å; M98-A102 PolarHBondContact O-N 3.13Å; M98-Q114 HydrophobicContact CE-CG 3.88Å
99	A	87.8	Confident	85.7	Confident	10 Å²	10	36.2 Å²	36.2	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-69	-44.3	178.4	0	0	0	0	0	111.3	L20 L95 L96 R97 A102 V103	L20-A99 HydrophobicContact CD1-CB 4.03Å; L20-A99 HydrophobicContact CD2-CB 3.7Å; L95-A99 WeakPolarHBondContact O-CB 3.42Å; L95-A99 PolarHBondContact O-N 3.04Å; L96-A99 PolarHBondContact O-N 3.11Å; R97-A99 VanDerWaalsContact C-N 3.35Å; R97-A99 PolarHBondContact O-N 2.83Å; A99-A102 PolarHBondContact O-N 3.39Å; A99-V103 WeakPolarHBondContact O-CG2 3.33Å; A99-V103 PolarHBondContact O-N 3.48Å
100	L	90.4	Very high	85.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-43.6	173.4	-74.8	169.8	0	0	0	111.6	I19 L20 W25 I68 K73 L96 R97 V103 T104	I19-L100 HydrophobicContact CG2-CD2 4.19Å; L20-L100 HydrophobicContact CD2-CD2 4Å; L20-L100 HydrophobicContact CD2-CG 4.14Å; W25-L100 HydrophobicContact CZ2-CD2 3.91Å; I68-L100 HydrophobicContact CD1-CD1 3.99Å; K73-L100 HydrophobicContact CG-CB 4.46Å; K73-L100 HydrophobicContact CG-CD1 4.36Å; L96-L100 HydrophobicContact CD1-CD1 4.3Å; L96-L100 HydrophobicContact CD1-CG 4.24Å; L96-L100 HydrophobicContact CG-CD1 4.17Å; L96-L100 WeakPolarHBondContact O-CB 3.39Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.29Å; R97-L100 PolarHBondContact O-N 2.86Å; L100-V103 PolarHBondContact O-N 3.07Å; L100-T104 VanDerWaalsContact O-CB 3.25Å; L100-T104 WeakPolarHBondContact O-CB 3.39Å; L100-T104 PolarHBondContact O-N 2.82Å; L100-T104 PolarHBondContact O-OG1 2.84Å
101	D	89	Confident	85.6	Confident	68 Å²	68	37.6 Å²	37.6	36%	0.364	20%	0.196	S	C	.	.	H	α-helix	trans	-60.6	-46.4	175	-83.5	-25.1	0	0	0	111.8	K73 R97 V103 T104 T105	K73-D101 WeakPolarHBondContact CE-OD1 3.34Å; K73-D101 IonicContact NZ-OD1 3.94Å; K73-D101 PolarHBondContact NZ-OD1 2.99Å; R97-D101 WeakPolarHBondContact O-CB 3.42Å; R97-D101 PolarHBondContact O-N 3.18Å; D101-V103 VanDerWaalsContact C-N 3.34Å; D101-V103 PolarHBondContact O-N 3.5Å; D101-T104 PolarHBondContact O-N 3.44Å; D101-T105 PolarHBondContact O-N 2.79Å; D101-T105 PolarHBondContact O-OG1 2.95Å
102	A	89.6	Confident	85.5	Confident	6 Å²	6	42 Å²	42	5%	0.05	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-40.9	179.4	0	0	0	0	0	112.4	M98 A99 Q106 D107 F108	M98-A102 WeakPolarHBondContact O-CB 3.33Å; M98-A102 PolarHBondContact O-N 3.13Å; A99-A102 PolarHBondContact O-N 3.39Å; A102-Q106 CarbonylContact O-C 3.55Å; A102-Q106 VanDerWaalsContact O-CA 3.22Å; A102-Q106 WeakPolarHBondContact O-CA 3.33Å; A102-Q106 PolarHBondContact O-N 3.06Å; A102-D107 WeakPolarHBondContact CA-O 3.06Å; A102-D107 VanDerWaalsContact CB-O 3.31Å; A102-D107 WeakPolarHBondContact CB-O 3.49Å; A102-D107 PolarHBondContact O-N 3.39Å; A102-F108 HydrophobicContact CB-CD1 3.86Å; A102-F108 HydrophobicContact CB-CE1 4.23Å
103	V	90.7	Very high	85.1	Confident	17 Å²	17	50.1 Å²	50.1	10%	0.103	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-50.6	173.3	173.3	0	0	0	0	109.9	L20 P22 W25 A99 L100 D101 T105 Q106 F108 Y388	L20-V103 HydrophobicContact CB-CG2 4.28Å; P22-V103 HydrophobicContact CG-CG1 3.49Å; P22-V103 VanDerWaalsContact CG-CG1 3.49Å; W25-V103 HydrophobicContact CH2-CB 4.21Å; W25-V103 HydrophobicContact CH2-CG1 3.6Å; W25-V103 HydrophobicContact CZ2-CB 4.37Å; W25-V103 HydrophobicContact CZ2-CG1 3.74Å; A99-V103 WeakPolarHBondContact O-CG2 3.33Å; A99-V103 PolarHBondContact O-N 3.48Å; L100-V103 PolarHBondContact O-N 3.07Å; D101-V103 VanDerWaalsContact C-N 3.34Å; D101-V103 PolarHBondContact O-N 3.5Å; V103-T105 VanDerWaalsContact C-N 3.32Å; V103-T105 PolarHBondContact O-N 3.29Å; V103-Q106 PolarHBondContact O-N 3.44Å; V103-Q106 VanDerWaalsContact O-N 3.1Å; V103-F108 HydrophobicContact CG2-CE1 4.24Å; V103-Y388 HydrophobicContact CG1-CD2 4.22Å; V103-Y388 HydrophobicContact CG1-CE2 4.47Å; V103-Y388 WeakPolarHBondContact O-CD2 3.25Å
104	T	89.9	Confident	84.2	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-57.3	-42.1	-177.8	-60.8	0	0	0	0	112.3	W25 L100 D101 G387 Y388 K389	W25-T104 WeakPolarHBondContact CH2-OG1 3.35Å; L100-T104 VanDerWaalsContact O-CB 3.25Å; L100-T104 WeakPolarHBondContact O-CB 3.39Å; L100-T104 PolarHBondContact O-N 2.82Å; L100-T104 PolarHBondContact O-OG1 2.84Å; D101-T104 PolarHBondContact O-N 3.44Å; T104-G387 WeakPolarHBondContact O-CA 3.29Å; T104-Y388 PolarHBondContact O-N 3.34Å; T104-K389 HydrophobicContact CG2-CB 4.4Å; T104-K389 HydrophobicContact CG2-CG 3.44Å; T104-K389 VanDerWaalsContact CG2-CG 3.44Å
105	T	89.9	Confident	82.8	Confident	57 Å²	57	58.4 Å²	58.4	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-89.8	-7.9	179.1	61.6	0	0	0	0	114.1	D101 V103 D107	D101-T105 PolarHBondContact O-N 2.79Å; D101-T105 PolarHBondContact O-OG1 2.95Å; V103-T105 VanDerWaalsContact C-N 3.32Å; V103-T105 PolarHBondContact O-N 3.29Å; T105-D107 PolarHBondContact O-N 3.18Å; T105-D107 WeakPolarHBondContact OG1-CB 3.2Å; T105-D107 PolarHBondContact OG1-N 3.41Å
106	Q	88.8	Confident	81.3	Confident	48 Å²	48	61.6 Å²	61.6	22%	0.224	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	35.7	-165.5	-62.5	-179.2	2.5	0	0	113.3	A102 V103 Y388	A102-Q106 CarbonylContact O-C 3.55Å; A102-Q106 VanDerWaalsContact O-CA 3.22Å; A102-Q106 WeakPolarHBondContact O-CA 3.33Å; A102-Q106 PolarHBondContact O-N 3.06Å; V103-Q106 PolarHBondContact O-N 3.44Å; V103-Q106 VanDerWaalsContact O-N 3.1Å; Q106-Y388 HydrophobicContact CG-CD2 4.46Å; Q106-Y388 HydrophobicContact CG-CE2 4.17Å
107	D	87.6	Confident	79.4	Confident	85 Å²	85	63.1 Å²	63.1	46%	0.455	35%	0.346	S	S	.	.			trans	-121.7	101.1	175.7	177.5	12.1	0	0	0	110	A102 T105 G109	A102-D107 WeakPolarHBondContact CA-O 3.06Å; A102-D107 VanDerWaalsContact CB-O 3.31Å; A102-D107 WeakPolarHBondContact CB-O 3.49Å; A102-D107 PolarHBondContact O-N 3.39Å; T105-D107 PolarHBondContact O-N 3.18Å; T105-D107 WeakPolarHBondContact OG1-CB 3.2Å; T105-D107 PolarHBondContact OG1-N 3.41Å; D107-G109 PolarHBondContact OD1-N 2.94Å
108	F	88.3	Confident	77.3	Confident	97 Å²	97	74.2 Å²	74.2	43%	0.425	39%	0.387	S	S	.	.			trans	-89.7	-1	-179.6	-56.9	-79.9	0	0	0	113.2	A102 V103 K110 L111 L112	A102-F108 HydrophobicContact CB-CD1 3.86Å; A102-F108 HydrophobicContact CB-CE1 4.23Å; V103-F108 HydrophobicContact CG2-CE1 4.24Å; F108-K110 VanDerWaalsContact C-N 3.33Å; F108-K110 PolarHBondContact O-N 3.02Å; F108-L111 WeakPolarHBondContact O-CB 3.22Å; F108-L111 PolarHBondContact O-N 3.07Å; F108-L112 HydrophobicContact CB-CD1 3.55Å; F108-L112 WeakPolarHBondContact O-CD1 3.42Å; F108-L112 PolarHBondContact O-N 3.46Å
109	G	84	Confident	75.2	Confident	34 Å²	34	80.5 Å²	80.5	35%	0.351	41%	0.408	S	S	.	.	H	α-helix	trans	-58.8	-40.2	-172.3	0	0	0	0	0	113.6	D107 K113	D107-G109 PolarHBondContact OD1-N 2.94Å; G109-K113 WeakPolarHBondContact O-CG 3.33Å; G109-K113 PolarHBondContact O-N 2.88Å
110	K	76.6	Confident	73.4	Confident	156 Å²	156	85.8 Å²	85.8	68%	0.678	43%	0.434	S	S	*	.	H	α-helix	trans	-68.5	-35.7	176.4	-68	-179.5	-175.8	170.6	0	112.8	F108	F108-K110 VanDerWaalsContact C-N 3.33Å; F108-K110 PolarHBondContact O-N 3.02Å
111	L	73.5	Confident	71.2	Confident	39 Å²	39	88.3 Å²	88.3	20%	0.204	45%	0.447	C	S	.	.	H	α-helix	trans	-72.3	-39.7	178.5	-167.6	70.9	0	0	0	110.9	L95 F108 K113 Q114	L95-L111 HydrophobicContact CD1-CD1 4.08Å; F108-L111 WeakPolarHBondContact O-CB 3.22Å; F108-L111 PolarHBondContact O-N 3.07Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.5Å; L111-Q114 WeakPolarHBondContact O-CB 3.12Å; L111-Q114 PolarHBondContact O-N 3.33Å; L111-Q114 VanDerWaalsContact O-N 3.14Å
112	L	75.7	Confident	68.8	Low	97 Å²	97	93.6 Å²	93.6	51%	0.508	46%	0.462	S	S	.	.	H	α-helix	trans	-63.3	-36.7	175.8	-89.5	79.9	0	0	0	112.3	F108 Q114 K115	F108-L112 HydrophobicContact CB-CD1 3.55Å; F108-L112 WeakPolarHBondContact O-CD1 3.42Å; F108-L112 PolarHBondContact O-N 3.46Å; L112-Q114 PolarHBondContact O-N 2.88Å; L112-Q114 VanDerWaalsContact O-N 3.17Å; L112-K115 VanDerWaalsContact O-CB 3.25Å; L112-K115 WeakPolarHBondContact O-CB 3.23Å; L112-K115 PolarHBondContact O-N 3.45Å
113	K	73.8	Confident	66.3	Low	178 Å²	178	96.2 Å²	96.2	77%	0.774	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-61.6	-21.1	175.6	-74.1	174.7	-179.7	-177	0	113.4	G109 L111 K115	G109-K113 WeakPolarHBondContact O-CG 3.33Å; G109-K113 PolarHBondContact O-N 2.88Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.5Å; K113-K115 VanDerWaalsContact C-N 3.31Å
114	Q	65.4	Low	63.9	Low	90 Å²	90	105.5 Å²	105.5	42%	0.421	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-76.9	-14.9	174.4	-60.4	-64.9	-45.7	0	0	113.1	M98 L111 L112 G116 G117	M98-Q114 HydrophobicContact CE-CG 3.88Å; L111-Q114 WeakPolarHBondContact O-CB 3.12Å; L111-Q114 PolarHBondContact O-N 3.33Å; L111-Q114 VanDerWaalsContact O-N 3.14Å; L112-Q114 PolarHBondContact O-N 2.88Å; L112-Q114 VanDerWaalsContact O-N 3.17Å; Q114-G116 PolarHBondContact O-N 3.06Å; Q114-G117 PolarHBondContact O-N 3.23Å
115	K	52.4	Low	61.6	Low	138 Å²	138	107.3 Å²	107.3	60%	0.6	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-66.3	1.6	-176.3	-75.2	-174.4	170.7	-179.8	0	115.4	L112 K113 G117	L112-K115 VanDerWaalsContact O-CB 3.25Å; L112-K115 WeakPolarHBondContact O-CB 3.23Å; L112-K115 PolarHBondContact O-N 3.45Å; K113-K115 VanDerWaalsContact C-N 3.31Å; K115-G117 PolarHBondContact O-N 2.91Å
116	G	52.4	Low	59.5	Low	87 Å²	87	113.4 Å²	113.4	90%	0.897	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-56.2	-14.7	167.5	0	0	0	0	0	114	Q114	Q114-G116 PolarHBondContact O-N 3.06Å
117	G	46.3	Very low	57.3	Low	38 Å²	38	116.7 Å²	116.7	39%	0.392	57%	0.566	S	S	.	*	S	Bend	trans	-114.4	124.8	169.8	0	0	0	0	0	112.5	Q114 K115 R119	Q114-G117 PolarHBondContact O-N 3.23Å; K115-G117 PolarHBondContact O-N 2.91Å; G117-R119 PolarHBondContact O-N 3.4Å
118	R	45.9	Very low	55.1	Low	257 Å²	257	114.7 Å²	114.7	97%	0.97	56%	0.562	S	S	*	*	S	Bend	trans	-63.2	100.6	173.9	-72.4	178.9	-179.5	169.4	-0.4	110.3
119	R	41.7	Very low	52.8	Low	182 Å²	182	119 Å²	119	69%	0.687	58%	0.583	S	S	*	*	S	Bend	trans	135.2	116.2	157	-163.7	176.7	-69.3	173.4	-2.2	108.1	G117 L121 R122	G117-R119 PolarHBondContact O-N 3.4Å; R119-L121 PolarHBondContact O-N 3.31Å; R119-R122 PolarHBondContact O-N 3Å
120	I	50.3	Low	50.7	Low	120 Å²	120	126.9 Å²	126.9	62%	0.615	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	-34.4	-173.1	-68.1	170.3	0	0	0	111.4	L95 R122	L95-I120 WeakPolarHBondContact CD1-O 3.43Å; L95-I120 HydrophobicContact CD2-CG2 4.29Å; L95-I120 WeakPolarHBondContact CD2-O 3.37Å; I120-R122 PolarHBondContact O-N 2.9Å
121	L	42.7	Very low	48.9	Very low	53 Å²	53	123.2 Å²	123.2	28%	0.277	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.9	28	-168.8	-66.6	157.4	0	0	0	116.3	L95 R119	L95-L121 HydrophobicContact CD2-CD2 3.98Å; L95-L121 HydrophobicContact CD2-CG 4.49Å; R119-L121 PolarHBondContact O-N 3.31Å
122	R	39.1	Very low	47.1	Very low	180 Å²	180	124.2 Å²	124.2	68%	0.679	61%	0.606	S	S	*	*			trans	-139.8	111.5	166	-71.6	-169.6	-179.1	172.9	-1	110.8	R119 I120 R124	R119-R122 PolarHBondContact O-N 3Å; I120-R122 PolarHBondContact O-N 2.9Å; R122-R124 PolarHBondContact O-N 3.32Å
123	F	37.9	Very low	45.4	Very low	60 Å²	60	126.9 Å²	126.9	26%	0.263	62%	0.62	S	S	.	*			trans	-69	116.6	167.8	-173.8	-101.4	0	0	0	108.4	P90 G125	P90-F123 WeakPolarHBondContact O-CB 3.42Å; F123-G125 PolarHBondContact O-N 2.79Å
124	R	40	Very low	43.9	Very low	213 Å²	213	128.4 Å²	128.4	80%	0.804	62%	0.621	S	S	*	*			trans	-90.5	101.4	174.5	-156.7	179.1	-170.3	-173.7	3.5	107.9	R122 K126	R122-R124 PolarHBondContact O-N 3.32Å; R124-K126 PolarHBondContact O-N 3.48Å
125	G	42.4	Very low	43.2	Very low	44 Å²	44	128 Å²	128	45%	0.454	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-68.8	41.7	-173	0	0	0	0	0	117.1	F123 D127 A128	F123-G125 PolarHBondContact O-N 2.79Å; G125-D127 VanDerWaalsContact C-N 3.32Å; G125-A128 VanDerWaalsContact O-CB 3.29Å; G125-A128 WeakPolarHBondContact O-CB 3.32Å; G125-A128 PolarHBondContact O-N 3.4Å
126	K	45.2	Very low	43	Very low	185 Å²	185	123 Å²	123	80%	0.804	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-77.7	-15	172.2	-86.5	-164.4	171.1	-168.8	0	114.4	R124	R124-K126 PolarHBondContact O-N 3.48Å
127	D	41.9	Very low	43.1	Very low	117 Å²	117	125.6 Å²	125.6	63%	0.626	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-107.3	16.7	169.1	-62.9	-36	0	0	0	112.7	G125 E129 N131	G125-D127 VanDerWaalsContact C-N 3.32Å; D127-E129 PolarHBondContact O-N 3.33Å; D127-N131 PolarHBondContact O-N 3.01Å
128	A	42	Very low	43.3	Very low	44 Å²	44	127.2 Å²	127.2	36%	0.364	60%	0.597	S	S	.	*	H	α-helix	trans	-62.6	-28.4	-177.4	0	0	0	0	0	112.5	G125 S132	G125-A128 VanDerWaalsContact O-CB 3.29Å; G125-A128 WeakPolarHBondContact O-CB 3.32Å; G125-A128 PolarHBondContact O-N 3.4Å; A128-S132 WeakPolarHBondContact O-CA 3.49Å; A128-S132 WeakPolarHBondContact O-CB 3.49Å; A128-S132 PolarHBondContact O-N 2.79Å; A128-S132 PolarHBondContact O-OG 2.96Å
129	E	39.1	Very low	43.6	Very low	188 Å²	188	119.1 Å²	119.1	88%	0.879	57%	0.573	S	S	*	*	H	α-helix	trans	-77.8	-32.9	-174.2	-127.9	171.8	-171.9	0	0	113.8	D127	D127-E129 PolarHBondContact O-N 3.33Å
130	K	40.8	Very low	44.2	Very low	199 Å²	199	113.6 Å²	113.6	87%	0.865	56%	0.557	S	S	*	*	H	α-helix	trans	-95.3	-21.7	179.1	-93	-179	175.3	175.8	0	114.5
131	N	37.8	Very low	44.7	Very low	79 Å²	79	110.5 Å²	110.5	42%	0.422	54%	0.541	S	S	.	.	H	α-helix	trans	-112.4	2.5	-179.2	-77.6	-43.7	0	0	0	114.2	D127 L133 R134	D127-N131 PolarHBondContact O-N 3.01Å; N131-L133 PolarHBondContact O-N 2.85Å; N131-R134 PolarHBondContact O-N 2.92Å
132	S	36.7	Very low	45.3	Very low	60 Å²	60	114 Å²	114	42%	0.42	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-55.8	-26.5	169.2	50.7	0	0	0	0	111.9	A128 R134 L135	A128-S132 WeakPolarHBondContact O-CA 3.49Å; A128-S132 WeakPolarHBondContact O-CB 3.49Å; A128-S132 PolarHBondContact O-N 2.79Å; A128-S132 PolarHBondContact O-OG 2.96Å; S132-R134 PolarHBondContact O-N 3.42Å; S132-L135 WeakPolarHBondContact O-CD1 3.44Å; S132-L135 WeakPolarHBondContact O-CG 3.5Å; S132-L135 PolarHBondContact O-N 3Å
133	L	39.7	Very low	46.3	Very low	153 Å²	153	108 Å²	108	80%	0.801	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-78.7	5.3	-178.7	-131.6	79.1	0	0	0	115.8	N131 L135	N131-L133 PolarHBondContact O-N 2.85Å; L133-L135 VanDerWaalsContact C-N 3.31Å
134	R	42.7	Very low	47.2	Very low	210 Å²	210	105.2 Å²	105.2	79%	0.792	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-97.8	25.4	164.5	-67.7	-170.7	-178.1	172.6	2.5	112.6	N131 S132	N131-R134 PolarHBondContact O-N 2.92Å; S132-R134 PolarHBondContact O-N 3.42Å
135	L	49.7	Very low	48.3	Very low	82 Å²	82	96.5 Å²	96.5	43%	0.429	50%	0.498	S	S	.	.	S	Bend	trans	-36	141.6	145.1	-73.6	149	0	0	0	108	S132 L133 K137	S132-L135 WeakPolarHBondContact O-CD1 3.44Å; S132-L135 WeakPolarHBondContact O-CG 3.5Å; S132-L135 PolarHBondContact O-N 3Å; L133-L135 VanDerWaalsContact C-N 3.31Å; L135-K137 PolarHBondContact O-N 2.81Å
136	L	48.9	Very low	49.2	Very low	33 Å²	33	96.9 Å²	96.9	17%	0.173	49%	0.491	C	S	.	.	S	Bend	trans	-23.3	115.2	168.3	-78.7	157.7	0	0	0	108.3	L85 A138 D140 I141	L85-L136 WeakPolarHBondContact O-CD1 3.47Å; L136-A138 PolarHBondContact O-N 3.29Å; L136-D140 HydrophobicContact CB-CB 3.87Å; L136-D140 HydrophobicContact CD2-CB 3.61Å; L136-D140 HydrophobicContact CG-CB 4.38Å; L136-I141 HydrophobicContact CB-CD1 4.41Å; L136-I141 HydrophobicContact CB-CG1 3.67Å
137	K	54.1	Low	49.9	Very low	140 Å²	140	90.3 Å²	90.3	61%	0.609	46%	0.461	S	S	*	.			trans	-47.9	153	-174.8	-71.7	178.8	176.1	-179.7	0	107.8	L135 D139 D140 I141	L135-K137 PolarHBondContact O-N 2.81Å; K137-D139 HydrophobicContact CB-CB 4.15Å; K137-D139 CarbonylContact O-C 3.59Å; K137-D139 PolarHBondContact O-N 3.4Å; K137-D140 HydrophobicContact CB-CB 4.44Å; K137-D140 PolarHBondContact N-OD2 3.43Å; K137-D140 CarbonylContact O-C 3.5Å; K137-D140 WeakPolarHBondContact O-CA 3.22Å; K137-D140 WeakPolarHBondContact O-CB 3.4Å; K137-D140 PolarHBondContact O-N 3.07Å; K137-I141 PolarHBondContact O-N 2.93Å
138	A	51.5	Low	51.1	Low	72 Å²	72	86.4 Å²	86.4	60%	0.595	44%	0.44	S	S	*	.	H	α-helix	trans	-47	-35.6	170.6	0	0	0	0	0	111	L136 Q142	L136-A138 PolarHBondContact O-N 3.29Å; A138-Q142 VanDerWaalsContact O-CB 3.3Å; A138-Q142 WeakPolarHBondContact O-CB 3.39Å; A138-Q142 VanDerWaalsContact O-CG 3.3Å; A138-Q142 WeakPolarHBondContact O-CG 3.16Å; A138-Q142 PolarHBondContact O-N 2.67Å
139	D	50.6	Low	52.4	Low	87 Å²	87	92.4 Å²	92.4	47%	0.465	45%	0.453	S	S	.	.	H	α-helix	trans	-60	-43.7	168.9	-64.9	-24.4	0	0	0	114.4	K137 T143	K137-D139 HydrophobicContact CB-CB 4.15Å; K137-D139 CarbonylContact O-C 3.59Å; K137-D139 PolarHBondContact O-N 3.4Å; D139-T143 WeakPolarHBondContact O-CA 3.38Å; D139-T143 WeakPolarHBondContact O-CB 3.21Å; D139-T143 PolarHBondContact O-N 3.26Å; D139-T143 PolarHBondContact O-OG1 2.83Å
140	D	55.9	Low	53.5	Low	67 Å²	67	86.7 Å²	86.7	36%	0.358	43%	0.432	S	S	.	.	H	α-helix	trans	-71.7	-36.2	178.9	-56.7	-32.8	0	0	0	111.6	L136 K137 T143 A144	L136-D140 HydrophobicContact CB-CB 3.87Å; L136-D140 HydrophobicContact CD2-CB 3.61Å; L136-D140 HydrophobicContact CG-CB 4.38Å; K137-D140 HydrophobicContact CB-CB 4.44Å; K137-D140 PolarHBondContact N-OD2 3.43Å; K137-D140 CarbonylContact O-C 3.5Å; K137-D140 WeakPolarHBondContact O-CA 3.22Å; K137-D140 WeakPolarHBondContact O-CB 3.4Å; K137-D140 PolarHBondContact O-N 3.07Å; D140-T143 CarbonylContact O-C 3.46Å; D140-T143 PolarHBondContact O-N 3.38Å; D140-A144 WeakPolarHBondContact O-CB 3.48Å; D140-A144 PolarHBondContact O-N 3.01Å
141	I	59.9	Low	54.6	Low	55 Å²	55	78.2 Å²	78.2	28%	0.282	40%	0.398	S	S	.	.	H	α-helix	trans	-66.6	-49.2	172.7	-61.9	175.3	0	0	0	109.4	L85 L136 K137 T143 A144 V145	L85-I141 HydrophobicContact CD1-CG2 4.1Å; L85-I141 HydrophobicContact CD2-CG2 4.25Å; L136-I141 HydrophobicContact CB-CD1 4.41Å; L136-I141 HydrophobicContact CB-CG1 3.67Å; K137-I141 PolarHBondContact O-N 2.93Å; I141-T143 PolarHBondContact O-N 3.19Å; I141-A144 CarbonylContact O-C 3.45Å; I141-A144 WeakPolarHBondContact O-CA 3.32Å; I141-A144 VanDerWaalsContact O-CB 3.26Å; I141-A144 WeakPolarHBondContact O-CB 3.25Å; I141-A144 PolarHBondContact O-N 2.84Å; I141-V145 HydrophobicContact CG2-CG2 4.34Å; I141-V145 WeakPolarHBondContact O-CG2 3.25Å; I141-V145 PolarHBondContact O-N 2.85Å
142	Q	56	Low	56	Low	126 Å²	126	76.9 Å²	76.9	59%	0.589	39%	0.394	S	S	*	.	H	α-helix	trans	-58.2	-40.7	173.9	-78.2	-173.4	-3.8	0	0	111.1	A138 A144 V145 V146	A138-Q142 VanDerWaalsContact O-CB 3.3Å; A138-Q142 WeakPolarHBondContact O-CB 3.39Å; A138-Q142 VanDerWaalsContact O-CG 3.3Å; A138-Q142 WeakPolarHBondContact O-CG 3.16Å; A138-Q142 PolarHBondContact O-N 2.67Å; Q142-A144 VanDerWaalsContact C-N 3.33Å; Q142-A144 PolarHBondContact O-N 3.28Å; Q142-V145 PolarHBondContact O-N 3.13Å; Q142-V146 WeakPolarHBondContact O-CB 3.36Å; Q142-V146 WeakPolarHBondContact O-CG2 3.36Å; Q142-V146 PolarHBondContact O-N 2.63Å
143	T	59.4	Low	57.4	Low	54 Å²	54	79.3 Å²	79.3	33%	0.331	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-40.9	174.1	-60.5	0	0	0	0	110.8	D139 D140 I141 V146 R147	D139-T143 WeakPolarHBondContact O-CA 3.38Å; D139-T143 WeakPolarHBondContact O-CB 3.21Å; D139-T143 PolarHBondContact O-N 3.26Å; D139-T143 PolarHBondContact O-OG1 2.83Å; D140-T143 CarbonylContact O-C 3.46Å; D140-T143 PolarHBondContact O-N 3.38Å; I141-T143 PolarHBondContact O-N 3.19Å; T143-V146 PolarHBondContact O-N 3.31Å; T143-R147 WeakPolarHBondContact O-CB 3.49Å; T143-R147 PolarHBondContact O-N 3.27Å
144	A	57.5	Low	58.3	Low	1 Å²	1	72.8 Å²	72.8	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-62.3	-43.3	173.2	0	0	0	0	0	112.1	F74 D140 I141 Q142 R147 N148	F74-A144 HydrophobicContact CD1-CB 3.79Å; F74-A144 HydrophobicContact CE1-CB 3.27Å; F74-A144 HydrophobicContact CZ-CB 3.85Å; D140-A144 WeakPolarHBondContact O-CB 3.48Å; D140-A144 PolarHBondContact O-N 3.01Å; I141-A144 CarbonylContact O-C 3.45Å; I141-A144 WeakPolarHBondContact O-CA 3.32Å; I141-A144 VanDerWaalsContact O-CB 3.26Å; I141-A144 WeakPolarHBondContact O-CB 3.25Å; I141-A144 PolarHBondContact O-N 2.84Å; Q142-A144 VanDerWaalsContact C-N 3.33Å; Q142-A144 PolarHBondContact O-N 3.28Å; A144-R147 CarbonylContact O-C 3.52Å; A144-R147 PolarHBondContact O-N 3.29Å; A144-N148 WeakPolarHBondContact O-CB 3.5Å; A144-N148 PolarHBondContact O-N 2.73Å
145	V	62.5	Low	59	Low	31 Å²	31	67.4 Å²	67.4	19%	0.188	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-49.5	177.4	-173.3	0	0	0	0	110.4	M1 I141 Q142 R147 N148 R149	M1-V145 HydrophobicContact CE-CB 4.24Å; M1-V145 HydrophobicContact CE-CG1 4.33Å; M1-V145 HydrophobicContact CE-CG2 3.15Å; M1-V145 HydrophobicContact SD-CG2 3.71Å; I141-V145 HydrophobicContact CG2-CG2 4.34Å; I141-V145 WeakPolarHBondContact O-CG2 3.25Å; I141-V145 PolarHBondContact O-N 2.85Å; Q142-V145 PolarHBondContact O-N 3.13Å; V145-R147 PolarHBondContact O-N 2.83Å; V145-N148 PolarHBondContact O-N 3.34Å; V145-R149 WeakPolarHBondContact O-CB 3.41Å; V145-R149 WeakPolarHBondContact O-CG 3.31Å; V145-R149 PolarHBondContact O-N 2.87Å
146	V	62.1	Low	60	Low	51 Å²	51	66.1 Å²	66.1	31%	0.309	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-39	177.3	171.1	0	0	0	0	109.3	Q142 T143 R149 T150	Q142-V146 WeakPolarHBondContact O-CB 3.36Å; Q142-V146 WeakPolarHBondContact O-CG2 3.36Å; Q142-V146 PolarHBondContact O-N 2.63Å; T143-V146 PolarHBondContact O-N 3.31Å; V146-R149 PolarHBondContact O-N 2.84Å; V146-T150 HydrophobicContact CG1-CG2 4.26Å; V146-T150 WeakPolarHBondContact O-CB 3.38Å; V146-T150 VanDerWaalsContact O-CG2 3.27Å; V146-T150 WeakPolarHBondContact O-CG2 3.49Å; V146-T150 PolarHBondContact O-N 3.5Å; V146-T150 PolarHBondContact O-OG1 3.36Å
147	R	59.6	Low	60.9	Low	48 Å²	48	67.5 Å²	67.5	18%	0.181	36%	0.356	C	S	.	.	H	α-helix	trans	-70	-39.9	176.6	-162.7	166	177.5	112.9	-3.3	112.7	E72 T143 A144 V145 T150 S151 S741	E72-R147 WeakPolarHBondContact OE1-CD 3.49Å; E72-R147 IonicContact OE1-CZ 2.78Å; E72-R147 IonicContact OE1-NE 2.67Å; E72-R147 PolarHBondContact OE1-NE 2.73Å; E72-R147 IonicContact OE1-NH1 3.29Å; E72-R147 PolarHBondContact OE1-NH1 3.26Å; E72-R147 IonicContact OE1-NH2 3.33Å; E72-R147 WeakPolarHBondContact OE2-CD 3.44Å; E72-R147 IonicContact OE2-CZ 3.31Å; E72-R147 IonicContact OE2-NE 2.86Å; E72-R147 PolarHBondContact OE2-NE 2.98Å; E72-R147 IonicContact OE2-NH1 3.07Å; E72-R147 IonicContact OE2-NH2 2.73Å; T143-R147 WeakPolarHBondContact O-CB 3.49Å; T143-R147 PolarHBondContact O-N 3.27Å; A144-R147 CarbonylContact O-C 3.52Å; A144-R147 PolarHBondContact O-N 3.29Å; V145-R147 PolarHBondContact O-N 2.83Å; R147-T150 WeakPolarHBondContact CA-OG1 3.49Å; R147-T150 PolarHBondContact O-N 3.2Å; R147-T150 PolarHBondContact O-OG1 3.25Å; R147-T150 VanDerWaalsContact O-OG1 3.07Å; R147-S151 WeakPolarHBondContact O-CB 3.34Å; R147-S151 PolarHBondContact O-N 2.84Å; R147-S151 PolarHBondContact O-OG 3.05Å; R147-S741 PolarHBondContact NH2-OG 3.06Å
148	N	65.8	Low	61.2	Low	35 Å²	35	65 Å²	65	19%	0.187	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-48.4	171.7	-177.8	31.6	0	0	0	110.4	F83 A144 V145 S151 C152	F83-N148 HydrophobicContact CD2-CB 3.86Å; F83-N148 HydrophobicContact CE2-CB 3.51Å; F83-N148 VanDerWaalsContact CE2-CG 3.42Å; F83-N148 WeakPolarHBondContact CE2-OD1 3.3Å; F83-N148 HydrophobicContact CZ-CB 4.27Å; A144-N148 WeakPolarHBondContact O-CB 3.5Å; A144-N148 PolarHBondContact O-N 2.73Å; V145-N148 PolarHBondContact O-N 3.34Å; N148-S151 PolarHBondContact O-N 2.72Å; N148-C152 WeakPolarHBondContact O-CB 3.37Å; N148-C152 PolarHBondContact O-N 3.43Å; N148-C152 PolarHBondContact O-SG 2.89Å; N148-C152 PolarHBondContact OD1-SG 3.29Å
149	R	70.1	Confident	62.1	Low	169 Å²	169	64.3 Å²	64.3	64%	0.638	33%	0.333	S	S	*	.	H	α-helix	trans	-60.7	-49.2	177.3	-72.2	176.3	179.4	-174.1	-0.2	111.9	V145 V146 S151 C152 L153	V145-R149 WeakPolarHBondContact O-CB 3.41Å; V145-R149 WeakPolarHBondContact O-CG 3.31Å; V145-R149 PolarHBondContact O-N 2.87Å; V146-R149 PolarHBondContact O-N 2.84Å; R149-S151 VanDerWaalsContact C-N 3.31Å; R149-S151 PolarHBondContact O-N 3.41Å; R149-C152 PolarHBondContact O-N 3.04Å; R149-L153 VanDerWaalsContact O-CB 3.28Å; R149-L153 WeakPolarHBondContact O-CB 3.48Å; R149-L153 WeakPolarHBondContact O-CD1 3.41Å; R149-L153 VanDerWaalsContact O-CG 3.25Å; R149-L153 WeakPolarHBondContact O-CG 3.41Å; R149-L153 PolarHBondContact O-N 3.02Å
150	T	61.5	Low	63.4	Low	69 Å²	69	66.1 Å²	66.1	42%	0.423	33%	0.333	S	S	.	.	H	α-helix	trans	-66.8	-30.9	178	50.6	0	0	0	0	112.2	V146 R147 S154	V146-T150 HydrophobicContact CG1-CG2 4.26Å; V146-T150 WeakPolarHBondContact O-CB 3.38Å; V146-T150 VanDerWaalsContact O-CG2 3.27Å; V146-T150 WeakPolarHBondContact O-CG2 3.49Å; V146-T150 PolarHBondContact O-N 3.5Å; V146-T150 PolarHBondContact O-OG1 3.36Å; R147-T150 WeakPolarHBondContact CA-OG1 3.49Å; R147-T150 PolarHBondContact O-N 3.2Å; R147-T150 PolarHBondContact O-OG1 3.25Å; R147-T150 VanDerWaalsContact O-OG1 3.07Å; T150-S154 WeakPolarHBondContact O-CA 3.25Å; T150-S154 WeakPolarHBondContact O-CB 3.45Å; T150-S154 PolarHBondContact O-N 2.93Å
151	S	64.5	Low	63.4	Low	21 Å²	21	68.3 Å²	68.3	15%	0.147	34%	0.337	C	S	.	.	H	α-helix	trans	-76.2	-39.3	175.6	-52.5	0	0	0	0	112.1	Y50 R147 N148 R149 S154 W155	Y50-S151 VanDerWaalsContact CE2-CB 3.47Å; R147-S151 WeakPolarHBondContact O-CB 3.34Å; R147-S151 PolarHBondContact O-N 2.84Å; R147-S151 PolarHBondContact O-OG 3.05Å; N148-S151 PolarHBondContact O-N 2.72Å; R149-S151 VanDerWaalsContact C-N 3.31Å; R149-S151 PolarHBondContact O-N 3.41Å; S151-S154 WeakPolarHBondContact O-CB 3.04Å; S151-S154 PolarHBondContact O-N 3.42Å; S151-W155 WeakPolarHBondContact O-CB 3.27Å; S151-W155 PolarHBondContact O-N 3.07Å
152	C	67.9	Low	63.6	Low	51 Å²	51	68.5 Å²	68.5	35%	0.345	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-45.4	170.6	-70.9	0	0	0	0	111.7	Y50 N148 R149 S154 W155 A156	Y50-C152 PolarHBondContact OH-SG 3.25Å; N148-C152 WeakPolarHBondContact O-CB 3.37Å; N148-C152 PolarHBondContact O-N 3.43Å; N148-C152 PolarHBondContact O-SG 2.89Å; N148-C152 PolarHBondContact OD1-SG 3.29Å; R149-C152 PolarHBondContact O-N 3.04Å; C152-S154 VanDerWaalsContact C-N 3.33Å; C152-W155 PolarHBondContact O-N 3.03Å; C152-A156 PolarHBondContact O-N 3.2Å
153	L	65.4	Low	64.3	Low	110 Å²	110	70.6 Å²	70.6	58%	0.576	35%	0.345	S	S	*	.	H	α-helix	trans	-61	-43.9	172.6	-76.6	160.8	0	0	0	110.6	R149 W155 A156 L157	R149-L153 VanDerWaalsContact O-CB 3.28Å; R149-L153 WeakPolarHBondContact O-CB 3.48Å; R149-L153 WeakPolarHBondContact O-CD1 3.41Å; R149-L153 VanDerWaalsContact O-CG 3.25Å; R149-L153 WeakPolarHBondContact O-CG 3.41Å; R149-L153 PolarHBondContact O-N 3.02Å; L153-W155 VanDerWaalsContact C-N 3.27Å; L153-W155 PolarHBondContact O-N 2.64Å; L153-A156 PolarHBondContact O-N 2.86Å; L153-L157 WeakPolarHBondContact O-CB 3.04Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.11Å
154	S	57.8	Low	64.8	Low	16 Å²	16	73.4 Å²	73.4	11%	0.112	35%	0.35	C	S	.	.	H	α-helix	trans	-58.1	-40.3	175.1	175.7	0	0	0	0	111.5	T150 S151 C152 L157 H158 R737	T150-S154 WeakPolarHBondContact O-CA 3.25Å; T150-S154 WeakPolarHBondContact O-CB 3.45Å; T150-S154 PolarHBondContact O-N 2.93Å; S151-S154 WeakPolarHBondContact O-CB 3.04Å; S151-S154 PolarHBondContact O-N 3.42Å; C152-S154 VanDerWaalsContact C-N 3.33Å; S154-L157 CarbonylContact O-C 3.53Å; S154-L157 PolarHBondContact O-N 2.97Å; S154-H158 VanDerWaalsContact O-CB 3.25Å; S154-H158 WeakPolarHBondContact O-CB 3.17Å; S154-H158 PolarHBondContact O-N 3.14Å; S154-R737 PolarHBondContact OG-NE 3.26Å
155	W	59	Low	65	Low	98 Å²	98	75.1 Å²	75.1	37%	0.371	36%	0.362	S	S	.	.	H	α-helix	trans	-70.6	-43.3	177.5	-178.6	82.5	0	0	0	112.7	Y50 E53 S151 C152 L153 L157 H158 L159	Y50-W155 HydrophobicContact CD1-CB 3.42Å; Y50-W155 VanDerWaalsContact CD1-CB 3.42Å; Y50-W155 AromaticContact CD1-CD1 3.97Å; Y50-W155 AromaticContact CD1-CG 3.75Å; Y50-W155 HydrophobicContact CD1-CG 3.75Å; Y50-W155 HydrophobicContact CE1-CB 4.2Å; Y50-W155 HydrophobicContact CE1-CG 4.44Å; Y50-W155 HydrophobicContact CG-CB 4.2Å; E53-W155 PolarHBondContact OE1-NE1 3.32Å; S151-W155 WeakPolarHBondContact O-CB 3.27Å; S151-W155 PolarHBondContact O-N 3.07Å; C152-W155 PolarHBondContact O-N 3.03Å; L153-W155 VanDerWaalsContact C-N 3.27Å; L153-W155 PolarHBondContact O-N 2.64Å; W155-L157 PolarHBondContact O-N 3.47Å; W155-H158 PolarHBondContact O-N 2.94Å; W155-H158 VanDerWaalsContact O-N 3.1Å; W155-L159 HydrophobicContact CD2-CD1 3.57Å; W155-L159 HydrophobicContact CE3-CD1 4.14Å; W155-L159 HydrophobicContact CG-CD1 3.97Å; W155-L159 HydrophobicContact CH2-CD1 4.08Å; W155-L159 HydrophobicContact CH2-CD2 3.89Å; W155-L159 HydrophobicContact CZ2-CD1 3.5Å; W155-L159 VanDerWaalsContact CZ2-CD1 3.5Å; W155-L159 HydrophobicContact CZ2-CD2 3.98Å; W155-L159 HydrophobicContact CZ2-CG 4.4Å; W155-L159 HydrophobicContact CZ3-CD1 4.37Å; W155-L159 HydrophobicContact CZ3-CD2 4.35Å; W155-L159 WeakPolarHBondContact O-CD1 3.48Å; W155-L159 PolarHBondContact O-N 2.98Å
156	A	70.9	Confident	65.2	Low	54 Å²	54	78.9 Å²	78.9	45%	0.446	38%	0.378	S	S	.	.	H	α-helix	trans	-56.7	-42.6	171.8	0	0	0	0	0	111	C152 L153 W160	C152-A156 PolarHBondContact O-N 3.2Å; L153-A156 PolarHBondContact O-N 2.86Å; A156-W160 WeakPolarHBondContact O-CB 3.38Å; A156-W160 PolarHBondContact O-N 3.48Å
157	L	67.3	Low	65.4	Low	62 Å²	62	80.2 Å²	80.2	33%	0.325	39%	0.39	S	S	.	.	H	α-helix	trans	-69.9	-34.6	174.5	-70.8	172.1	0	0	0	113	L153 S154 W155 W160 W161	L153-L157 WeakPolarHBondContact O-CB 3.04Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.11Å; S154-L157 CarbonylContact O-C 3.53Å; S154-L157 PolarHBondContact O-N 2.97Å; W155-L157 PolarHBondContact O-N 3.47Å; L157-W160 CarbonylContact O-C 3.58Å; L157-W160 WeakPolarHBondContact O-CB 3.34Å; L157-W160 PolarHBondContact O-N 3.43Å; L157-W161 WeakPolarHBondContact O-CB 3.37Å; L157-W161 PolarHBondContact O-N 3.5Å
158	H	59.6	Low	65.5	Low	88 Å²	88	85 Å²	85	41%	0.407	41%	0.408	S	S	.	.	H	α-helix	trans	-71.9	-38.1	177.4	-163.2	-72.1	0	0	0	111	S154 W155 W160 W161 S162	S154-H158 VanDerWaalsContact O-CB 3.25Å; S154-H158 WeakPolarHBondContact O-CB 3.17Å; S154-H158 PolarHBondContact O-N 3.14Å; W155-H158 PolarHBondContact O-N 2.94Å; W155-H158 VanDerWaalsContact O-N 3.1Å; H158-W160 VanDerWaalsContact C-N 3.32Å; H158-W161 PolarHBondContact O-N 2.95Å; H158-S162 WeakPolarHBondContact O-CB 3.5Å; H158-S162 PolarHBondContact O-N 3.44Å
159	L	71	Confident	64.8	Low	58 Å²	58	87.9 Å²	87.9	30%	0.304	42%	0.423	S	S	.	.	H	α-helix	trans	-62.2	-43.4	168.9	-97.8	80	0	0	0	110.7	W155 R163	W155-L159 HydrophobicContact CD2-CD1 3.57Å; W155-L159 HydrophobicContact CE3-CD1 4.14Å; W155-L159 HydrophobicContact CG-CD1 3.97Å; W155-L159 HydrophobicContact CH2-CD1 4.08Å; W155-L159 HydrophobicContact CH2-CD2 3.89Å; W155-L159 HydrophobicContact CZ2-CD1 3.5Å; W155-L159 VanDerWaalsContact CZ2-CD1 3.5Å; W155-L159 HydrophobicContact CZ2-CD2 3.98Å; W155-L159 HydrophobicContact CZ2-CG 4.4Å; W155-L159 HydrophobicContact CZ3-CD1 4.37Å; W155-L159 HydrophobicContact CZ3-CD2 4.35Å; W155-L159 WeakPolarHBondContact O-CD1 3.48Å; W155-L159 PolarHBondContact O-N 2.98Å; L159-R163 WeakPolarHBondContact O-CB 3.39Å; L159-R163 VanDerWaalsContact O-CG 3.3Å; L159-R163 WeakPolarHBondContact O-CG 3.48Å; L159-R163 PolarHBondContact O-N 2.91Å
160	W	76.9	Confident	64.2	Low	125 Å²	125	85 Å²	85	47%	0.473	42%	0.42	S	S	.	.	H	α-helix	trans	-62.1	-46.4	175.6	177.8	82.1	0	0	0	111.7	A156 L157 H158 R163 Y164	A156-W160 WeakPolarHBondContact O-CB 3.38Å; A156-W160 PolarHBondContact O-N 3.48Å; L157-W160 CarbonylContact O-C 3.58Å; L157-W160 WeakPolarHBondContact O-CB 3.34Å; L157-W160 PolarHBondContact O-N 3.43Å; H158-W160 VanDerWaalsContact C-N 3.32Å; W160-R163 PolarHBondContact O-N 3.2Å; W160-Y164 VanDerWaalsContact O-CB 3.25Å; W160-Y164 WeakPolarHBondContact O-CB 3.25Å; W160-Y164 PolarHBondContact O-N 3.45Å
161	W	57.2	Low	64.1	Low	113 Å²	113	85.8 Å²	85.8	43%	0.428	43%	0.433	S	S	.	.	H	α-helix	trans	-67.5	-42.5	178.6	-166.4	-66.2	0	0	0	111.8	L157 H158 R163 Y164 S165	L157-W161 WeakPolarHBondContact O-CB 3.37Å; L157-W161 PolarHBondContact O-N 3.5Å; H158-W161 PolarHBondContact O-N 2.95Å; W161-R163 VanDerWaalsContact C-N 3.28Å; W161-R163 PolarHBondContact O-N 2.96Å; W161-Y164 PolarHBondContact O-N 2.82Å; W161-S165 WeakPolarHBondContact O-CB 3.36Å; W161-S165 PolarHBondContact O-N 3.41Å; W161-S165 PolarHBondContact O-OG 2.96Å
162	S	62.8	Low	63.6	Low	58 Å²	58	89 Å²	89	41%	0.406	45%	0.452	S	S	.	.	H	α-helix	trans	-58.9	-44.5	174.8	-168.7	0	0	0	0	109.8	H158 S165 E166	H158-S162 WeakPolarHBondContact O-CB 3.5Å; H158-S162 PolarHBondContact O-N 3.44Å; S162-S165 WeakPolarHBondContact CA-OG 3.48Å; S162-S165 PolarHBondContact O-OG 2.87Å; S162-S165 VanDerWaalsContact O-OG 3.05Å; S162-E166 WeakPolarHBondContact O-CB 3.29Å; S162-E166 PolarHBondContact O-N 3.47Å
163	R	72	Confident	62.3	Low	170 Å²	170	91 Å²	91	64%	0.642	46%	0.459	S	S	*	.	H	α-helix	trans	-68.2	-38.4	175.8	-75.7	179.4	164.3	162.9	-2.4	113.3	L159 W160 W161 S167	L159-R163 WeakPolarHBondContact O-CB 3.39Å; L159-R163 VanDerWaalsContact O-CG 3.3Å; L159-R163 WeakPolarHBondContact O-CG 3.48Å; L159-R163 PolarHBondContact O-N 2.91Å; W160-R163 PolarHBondContact O-N 3.2Å; W161-R163 VanDerWaalsContact C-N 3.28Å; W161-R163 PolarHBondContact O-N 2.96Å; R163-S167 VanDerWaalsContact O-CB 3.25Å; R163-S167 WeakPolarHBondContact O-CB 3.13Å; R163-S167 PolarHBondContact O-N 2.78Å; R163-S167 PolarHBondContact O-OG 2.81Å
164	Y	68.6	Low	61.1	Low	113 Å²	113	96.2 Å²	96.2	44%	0.443	47%	0.472	S	S	.	.	H	α-helix	trans	-68.3	-47.9	177.8	174.9	-97.4	0	0	0	111.4	W160 W161 S167 R168	W160-Y164 VanDerWaalsContact O-CB 3.25Å; W160-Y164 WeakPolarHBondContact O-CB 3.25Å; W160-Y164 PolarHBondContact O-N 3.45Å; W161-Y164 PolarHBondContact O-N 2.82Å; Y164-S167 PolarHBondContact O-N 2.98Å; Y164-R168 HydrophobicContact CE1-CG 4.18Å; Y164-R168 WeakPolarHBondContact O-CB 3.48Å; Y164-R168 PolarHBondContact O-N 3.12Å
165	S	63.2	Low	60.4	Low	37 Å²	37	104 Å²	104	26%	0.259	50%	0.504	S	S	.	.	H	α-helix	trans	-64.7	-40.6	175.7	59.3	0	0	0	0	111.5	W161 S162 R168 L169	W161-S165 WeakPolarHBondContact O-CB 3.36Å; W161-S165 PolarHBondContact O-N 3.41Å; W161-S165 PolarHBondContact O-OG 2.96Å; S162-S165 WeakPolarHBondContact CA-OG 3.48Å; S162-S165 PolarHBondContact O-OG 2.87Å; S162-S165 VanDerWaalsContact O-OG 3.05Å; S165-R168 PolarHBondContact O-N 3.29Å; S165-L169 WeakPolarHBondContact O-CB 3.46Å; S165-L169 WeakPolarHBondContact O-CG 3.5Å; S165-L169 PolarHBondContact O-N 2.81Å
166	E	66.3	Low	59.5	Low	110 Å²	110	107.8 Å²	107.8	51%	0.514	52%	0.523	S	S	.	.	H	α-helix	trans	-63.4	-42.7	172	-173.3	170.2	-147.9	0	0	111.1	S162 R168 L169 N170	S162-E166 WeakPolarHBondContact O-CB 3.29Å; S162-E166 PolarHBondContact O-N 3.47Å; E166-R168 PolarHBondContact O-N 3.4Å; E166-L169 PolarHBondContact O-N 2.79Å; E166-N170 WeakPolarHBondContact O-CB 3.48Å; E166-N170 PolarHBondContact O-N 3.17Å; E166-N170 PolarHBondContact O-ND2 3.02Å
167	S	66.7	Low	57.6	Low	80 Å²	80	115.5 Å²	115.5	56%	0.559	55%	0.547	S	S	*	.	H	α-helix	trans	-62.8	-41.7	174.8	-60.7	0	0	0	0	112.3	R163 Y164 A171	R163-S167 VanDerWaalsContact O-CB 3.25Å; R163-S167 WeakPolarHBondContact O-CB 3.13Å; R163-S167 PolarHBondContact O-N 2.78Å; R163-S167 PolarHBondContact O-OG 2.81Å; Y164-S167 PolarHBondContact O-N 2.98Å; S167-A171 WeakPolarHBondContact O-CB 3.33Å; S167-A171 PolarHBondContact O-N 3.11Å
168	R	60.7	Low	56.2	Low	149 Å²	149	118.3 Å²	118.3	56%	0.562	57%	0.567	S	S	*	*	H	α-helix	trans	-69.4	-41.8	175.8	-95.6	-154.6	61.2	-170.7	-6.2	112.7	Y164 S165 E166 N170 A171 V172	Y164-R168 HydrophobicContact CE1-CG 4.18Å; Y164-R168 WeakPolarHBondContact O-CB 3.48Å; Y164-R168 PolarHBondContact O-N 3.12Å; S165-R168 PolarHBondContact O-N 3.29Å; E166-R168 PolarHBondContact O-N 3.4Å; R168-N170 VanDerWaalsContact C-N 3.32Å; R168-A171 WeakPolarHBondContact O-CB 3.44Å; R168-A171 PolarHBondContact O-N 3Å; R168-V172 WeakPolarHBondContact O-CG2 3.2Å; R168-V172 PolarHBondContact O-N 2.75Å
169	L	51.4	Low	55	Low	95 Å²	95	124.1 Å²	124.1	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-67.8	-36.1	176.2	-73.8	171.1	0	0	0	110.2	S165 E166 A171 V172 N173	S165-L169 WeakPolarHBondContact O-CB 3.46Å; S165-L169 WeakPolarHBondContact O-CG 3.5Å; S165-L169 PolarHBondContact O-N 2.81Å; E166-L169 PolarHBondContact O-N 2.79Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-V172 PolarHBondContact O-N 3.49Å; L169-N173 WeakPolarHBondContact O-CA 3.4Å; L169-N173 WeakPolarHBondContact O-CB 3.33Å; L169-N173 VanDerWaalsContact O-CG 3.32Å; L169-N173 PolarHBondContact O-N 3.49Å; L169-N173 PolarHBondContact O-ND2 2.71Å
170	N	58.3	Low	53.5	Low	109 Å²	109	126.7 Å²	126.7	58%	0.583	61%	0.614	S	S	*	*	H	α-helix	trans	-67.3	-32.7	172.7	-71.5	-19.9	0	0	0	112.1	E166 R168	E166-N170 WeakPolarHBondContact O-CB 3.48Å; E166-N170 PolarHBondContact O-N 3.17Å; E166-N170 PolarHBondContact O-ND2 3.02Å; R168-N170 VanDerWaalsContact C-N 3.32Å
171	A	57.9	Low	51.5	Low	84 Å²	84	131.4 Å²	131.4	69%	0.694	63%	0.632	S	S	*	*	H	α-helix	trans	-69.2	-30.5	171.6	0	0	0	0	0	113.1	S167 R168 L169	S167-A171 WeakPolarHBondContact O-CB 3.33Å; S167-A171 PolarHBondContact O-N 3.11Å; R168-A171 WeakPolarHBondContact O-CB 3.44Å; R168-A171 PolarHBondContact O-N 3Å; L169-A171 VanDerWaalsContact C-N 3.32Å
172	V	53.8	Low	50.7	Low	89 Å²	89	135.5 Å²	135.5	54%	0.539	65%	0.652	S	S	.	*	H	α-helix	trans	-90.9	-32.3	179.8	176.9	0	0	0	0	112.6	R168 L169 Y174	R168-V172 WeakPolarHBondContact O-CG2 3.2Å; R168-V172 PolarHBondContact O-N 2.75Å; L169-V172 PolarHBondContact O-N 3.49Å; V172-Y174 VanDerWaalsContact C-N 3.31Å; V172-Y174 PolarHBondContact O-N 2.92Å
173	N	42.1	Very low	49.7	Very low	92 Å²	92	138.2 Å²	138.2	49%	0.492	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.7	19	-169.6	-77.6	-28.8	0	0	0	115.6	L169 K175	L169-N173 WeakPolarHBondContact O-CA 3.4Å; L169-N173 WeakPolarHBondContact O-CB 3.33Å; L169-N173 VanDerWaalsContact O-CG 3.32Å; L169-N173 PolarHBondContact O-N 3.49Å; L169-N173 PolarHBondContact O-ND2 2.71Å; N173-K175 PolarHBondContact O-N 2.86Å
174	Y	40.3	Very low	48.2	Very low	220 Å²	220	135.1 Å²	135.1	86%	0.863	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-6.8	158.8	-140.3	-91.6	0	0	0	112.5	V172	V172-Y174 VanDerWaalsContact C-N 3.31Å; V172-Y174 PolarHBondContact O-N 2.92Å
175	K	42.2	Very low	47.4	Very low	179 Å²	179	132.1 Å²	132.1	78%	0.778	66%	0.655	S	S	*	*	S	Bend	trans	-138.4	87.5	171.3	-67.6	-175.6	-178.8	177.2	0	112.1	N173	N173-K175 PolarHBondContact O-N 2.86Å
176	K	39.9	Very low	46.9	Very low	178 Å²	178	134 Å²	134	77%	0.774	66%	0.664	S	S	*	*			trans	156	99	139.5	-87.3	169.5	-179	-179.8	0	110.5
177	K	31.3	Very low	46.6	Very low	216 Å²	216	134.6 Å²	134.6	94%	0.939	67%	0.67	S	S	*	*			trans	-92	93.5	156	-81.8	-178.8	177.1	173.8	0	108
178	T	38.7	Very low	46.6	Very low	122 Å²	122	133 Å²	133	75%	0.748	66%	0.658	S	S	*	*			trans	-130.8	109.5	162.1	48.2	0	0	0	0	108.9	S180	T178-S180 PolarHBondContact O-N 3.41Å; T178-S180 VanDerWaalsContact O-N 3.07Å
179	K	34	Very low	47.1	Very low	209 Å²	209	128.8 Å²	128.8	91%	0.909	65%	0.65	S	S	*	*			trans	-62.2	104.7	172.1	-68	178.8	177.4	179.3	0	108.1	R181	K179-R181 PolarHBondContact O-N 3.45Å; K179-R181 VanDerWaalsContact O-N 3.13Å
180	S	38.6	Very low	48.2	Very low	113 Å²	113	124.3 Å²	124.3	79%	0.79	63%	0.626	S	S	*	*			trans	-64.5	111.7	167.1	177.1	0	0	0	0	108.3	T178 K182	T178-S180 PolarHBondContact O-N 3.41Å; T178-S180 VanDerWaalsContact O-N 3.07Å; S180-K182 PolarHBondContact O-N 2.83Å
181	R	35.2	Very low	49.5	Very low	223 Å²	223	119.8 Å²	119.8	84%	0.842	60%	0.601	S	S	*	*			trans	-69	114.2	168.4	-88.5	177.7	159.3	155.4	-6.1	107.2	K179 I183	K179-R181 PolarHBondContact O-N 3.45Å; K179-R181 VanDerWaalsContact O-N 3.13Å; R181-I183 VanDerWaalsContact C-N 3.32Å; R181-I183 PolarHBondContact O-N 2.97Å
182	K	40	Very low	51.1	Low	199 Å²	199	115.9 Å²	115.9	87%	0.865	57%	0.569	S	S	*	*			trans	-63.6	93.3	164.5	-68	-177.5	178.4	-177.4	0	108.2	S180	S180-K182 PolarHBondContact O-N 2.83Å
183	I	42	Very low	53	Low	116 Å²	116	111.6 Å²	111.6	60%	0.595	54%	0.543	S	S	*	.			trans	-69.8	126.7	170.4	-63.1	165.2	0	0	0	106.7	R181 L185	R181-I183 VanDerWaalsContact C-N 3.32Å; R181-I183 PolarHBondContact O-N 2.97Å; I183-L185 HydrophobicContact CG2-CD2 4.14Å; I183-L185 HydrophobicContact CG2-CG 4.3Å; I183-L185 PolarHBondContact O-N 3.23Å
184	P	41.4	Very low	55.6	Low	105 Å²	105	107.2 Å²	107.2	68%	0.682	52%	0.519	S	S	*	.			trans	-70.6	99.1	174.4	-10.2	25.6	0	0	0	109	T186	P184-T186 HydrophobicContact CB-CG2 4.08Å; P184-T186 PolarHBondContact O-N 3.01Å; P184-T186 VanDerWaalsContact O-N 3.11Å
185	L	50.9	Low	58.2	Low	50 Å²	50	103.2 Å²	103.2	26%	0.262	50%	0.503	S	S	.	.			trans	-86.3	43	-178.3	-67.1	158.7	0	0	0	111.9	I183 L187 F191 L766	I183-L185 HydrophobicContact CG2-CD2 4.14Å; I183-L185 HydrophobicContact CG2-CG 4.3Å; I183-L185 PolarHBondContact O-N 3.23Å; L185-L187 PolarHBondContact O-N 3.44Å; L185-F191 HydrophobicContact CB-CD1 3.7Å; L185-F191 HydrophobicContact CB-CE1 4Å; L185-F191 HydrophobicContact CB-CG 4.25Å; L185-F191 HydrophobicContact CD1-CD1 3.95Å; L185-F191 HydrophobicContact CD1-CE1 3.45Å; L185-F191 VanDerWaalsContact CD1-CE1 3.45Å; L185-F191 HydrophobicContact CD1-CZ 4.23Å; L185-F191 HydrophobicContact CG-CD1 4.44Å; L185-F191 HydrophobicContact CG-CE1 4.26Å; L185-L766 HydrophobicContact CD1-CD1 3.28Å; L185-L766 HydrophobicContact CD1-CD2 4.07Å; L185-L766 HydrophobicContact CD1-CG 3.32Å
186	T	53.8	Low	60.7	Low	76 Å²	76	95.3 Å²	95.3	47%	0.466	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10	-158.2	49.7	0	0	0	0	115.7	P184	P184-T186 HydrophobicContact CB-CG2 4.08Å; P184-T186 PolarHBondContact O-N 3.01Å; P184-T186 VanDerWaalsContact O-N 3.11Å
187	L	59.2	Low	63.2	Low	122 Å²	122	88 Å²	88	64%	0.639	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	9.9	-171.9	-74.2	141.8	0	0	0	114.1	L185 G364	L185-L187 PolarHBondContact O-N 3.44Å; L187-G364 WeakPolarHBondContact CD2-O 2.97Å
188	T	66.6	Low	65.9	Low	47 Å²	47	77.8 Å²	77.8	29%	0.288	39%	0.394	S	S	.	.	S	Bend	trans	-79	132.1	174	-51.6	0	0	0	0	109.1	A190 F191	T188-A190 PolarHBondContact O-N 2.99Å; T188-F191 VanDerWaalsContact CB-CD2 3.41Å; T188-F191 HydrophobicContact CG2-CD2 3.65Å; T188-F191 HydrophobicContact CG2-CE2 3.58Å; T188-F191 WeakPolarHBondContact O-CB 3.04Å; T188-F191 PolarHBondContact O-N 2.98Å; T188-F191 VanDerWaalsContact O-N 3.13Å
189	P	71.6	Confident	68.4	Low	61 Å²	61	72 Å²	72	40%	0.396	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	138.6	168.7	-29.9	37	0	0	0	111	F191 W362	P189-F191 WeakPolarHBondContact O-CD2 3.21Å; P189-F191 PolarHBondContact O-N 2.87Å; P189-W362 HydrophobicContact CB-CE3 4.32Å; P189-W362 WeakPolarHBondContact CB-O 3.22Å
190	A	73.9	Confident	71.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-6.4	-175.7	0	0	0	0	0	118.3	T188 T192 R211 W362 N750	T188-A190 PolarHBondContact O-N 2.99Å; A190-T192 VanDerWaalsContact C-N 3.25Å; A190-T192 PolarHBondContact O-N 2.88Å; A190-R211 PolarHBondContact O-NH2 2.8Å; A190-W362 HydrophobicContact CB-CD2 4.2Å; A190-W362 HydrophobicContact CB-CE3 3.67Å; A190-W362 HydrophobicContact CB-CH2 3.4Å; A190-W362 HydrophobicContact CB-CZ2 3.94Å; A190-W362 HydrophobicContact CB-CZ3 3.27Å; A190-N750 WeakPolarHBondContact CB-OD1 3.37Å
191	F	87.2	Confident	74.1	Confident	15 Å²	15	57 Å²	57	7%	0.066	28%	0.28	C	S	.	.			trans	-89.7	14.5	177.8	-72.9	-104.6	0	0	0	113.5	L185 T188 P189 L757 L766	L185-F191 HydrophobicContact CB-CD1 3.7Å; L185-F191 HydrophobicContact CB-CE1 4Å; L185-F191 HydrophobicContact CB-CG 4.25Å; L185-F191 HydrophobicContact CD1-CD1 3.95Å; L185-F191 HydrophobicContact CD1-CE1 3.45Å; L185-F191 VanDerWaalsContact CD1-CE1 3.45Å; L185-F191 HydrophobicContact CD1-CZ 4.23Å; L185-F191 HydrophobicContact CG-CD1 4.44Å; L185-F191 HydrophobicContact CG-CE1 4.26Å; T188-F191 VanDerWaalsContact CB-CD2 3.41Å; T188-F191 HydrophobicContact CG2-CD2 3.65Å; T188-F191 HydrophobicContact CG2-CE2 3.58Å; T188-F191 WeakPolarHBondContact O-CB 3.04Å; T188-F191 PolarHBondContact O-N 2.98Å; T188-F191 VanDerWaalsContact O-N 3.13Å; P189-F191 WeakPolarHBondContact O-CD2 3.21Å; P189-F191 PolarHBondContact O-N 2.87Å; F191-L757 HydrophobicContact CD1-CD2 3.85Å; F191-L757 HydrophobicContact CE1-CD2 3.25Å; F191-L757 HydrophobicContact CE2-CD2 4.31Å; F191-L757 HydrophobicContact CZ-CD2 3.54Å; F191-L766 HydrophobicContact CE1-CD2 3.69Å; F191-L766 HydrophobicContact CE1-CG 4.15Å; F191-L766 HydrophobicContact CZ-CD2 3.95Å
192	T	91.8	Very high	77	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	24%	0.241	C	C	.	.			trans	-80.8	123.5	-175.8	-47.6	0	0	0	0	111.7	A190 Q208 R211 L361 R366 S367 V369	A190-T192 VanDerWaalsContact C-N 3.25Å; A190-T192 PolarHBondContact O-N 2.88Å; T192-Q208 PolarHBondContact O-NE2 2.8Å; T192-R211 PolarHBondContact O-NH1 3.28Å; T192-R211 PolarHBondContact O-NH2 3.26Å; T192-L361 HydrophobicContact CG2-CD2 3.47Å; T192-L361 VanDerWaalsContact CG2-CD2 3.47Å; T192-L361 PolarHBondContact OG1-O 3.47Å; T192-R366 VanDerWaalsContact CG2-O 3.23Å; T192-R366 WeakPolarHBondContact CG2-O 3.35Å; T192-R366 PolarHBondContact OG1-O 2.84Å; T192-R366 VanDerWaalsContact OG1-O 3.04Å; T192-S367 CarbonylContact C-O 3.55Å; T192-S367 WeakPolarHBondContact CA-O 3.02Å; T192-V369 HydrophobicContact CG2-CB 4.26Å; T192-V369 HydrophobicContact CG2-CG2 3.61Å
193	G	93.7	Very high	79.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	160.8	171.9	0	0	0	0	0	113.5	S367 V368 V369 D761	G193-S367 PolarHBondContact N-O 3.31Å; G193-V368 CarbonylContact O-C 3.56Å; G193-V368 WeakPolarHBondContact O-CA 3.49Å; G193-V369 PolarHBondContact O-N 3.37Å; G193-D761 CarbonylContact C-O 3.59Å; G193-D761 VanDerWaalsContact CA-O 3.23Å; G193-D761 WeakPolarHBondContact CA-O 3.47Å
194	L	95.6	Very high	82.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.2	176.4	-71.4	173	0	0	0	110.3	N196 N204 L207 Q208 L357 L361 V369 P371 D761 A762	L194-N196 PolarHBondContact O-N 3.06Å; L194-N204 HydrophobicContact CB-CB 4.14Å; L194-N204 HydrophobicContact CD1-CB 4.1Å; L194-L207 HydrophobicContact CD1-CB 3.94Å; L194-L207 HydrophobicContact CD1-CD1 4.14Å; L194-Q208 HydrophobicContact CD1-CG 4.3Å; L194-L357 HydrophobicContact CD2-CD1 4.19Å; L194-L357 HydrophobicContact CD2-CD2 4.47Å; L194-L361 HydrophobicContact CD2-CD1 4.25Å; L194-L361 HydrophobicContact CD2-CD2 3.81Å; L194-L361 HydrophobicContact CG-CD2 4.41Å; L194-V369 CarbonylContact C-O 3.59Å; L194-V369 WeakPolarHBondContact CA-O 3.16Å; L194-V369 HydrophobicContact CD2-CB 4.42Å; L194-P371 HydrophobicContact CD2-CB 4.28Å; L194-P371 HydrophobicContact CD2-CG 4.25Å; L194-D761 PolarHBondContact N-O 3.24Å; L194-D761 CarbonylContact O-C 3.58Å; L194-D761 WeakPolarHBondContact O-CA 3.39Å; L194-D761 WeakPolarHBondContact O-CB 3.04Å; L194-A762 PolarHBondContact O-N 2.76Å
195	R	95.1	Very high	85.2	Confident	136 Å²	136	26.8 Å²	26.8	51%	0.513	14%	0.14	S	C	.	.			trans	-60.5	135.7	175.4	-62.5	-169	-178.3	-93.6	-1.2	110.1	L197 N204 V368 V369	R195-L197 HydrophobicContact CB-CD2 4.41Å; R195-L197 PolarHBondContact O-N 3.31Å; R195-N204 PolarHBondContact O-ND2 2.87Å; R195-V368 HydrophobicContact CG-CG1 3.41Å; R195-V368 VanDerWaalsContact CG-CG1 3.41Å; R195-V369 PolarHBondContact N-O 2.61Å
196	N	94.6	Very high	87.4	Confident	13 Å²	13	24.4 Å²	24.4	7%	0.07	13%	0.127	C	C	.	.			trans	-73.4	120.5	166.3	-164.3	-41.6	0	0	0	108.3	T33 L194 G198 N199 T200 D761	T33-N196 WeakPolarHBondContact CG2-ND2 3.41Å; L194-N196 PolarHBondContact O-N 3.06Å; N196-G198 VanDerWaalsContact C-N 3.3Å; N196-G198 WeakPolarHBondContact OD1-CA 3.5Å; N196-G198 PolarHBondContact OD1-N 3.3Å; N196-N199 PolarHBondContact OD1-N 3.15Å; N196-N199 VanDerWaalsContact OD1-N 3.11Å; N196-T200 PolarHBondContact OD1-N 3.2Å; N196-T200 VanDerWaalsContact OD1-N 3.17Å; N196-T200 PolarHBondContact OD1-OG1 2.95Å; N196-D761 HydrophobicContact CB-CB 4.27Å; N196-D761 WeakPolarHBondContact CB-OD2 3.48Å; N196-D761 PolarHBondContact ND2-OD2 2.77Å
197	L	93.3	Very high	89.6	Confident	24 Å²	24	20.8 Å²	20.8	13%	0.126	11%	0.105	C	C	.	.			trans	-99.8	31.6	-179.5	-60.7	173.3	0	0	0	110.9	R195 T200 S370 P371 S372 L375 Y388	R195-L197 HydrophobicContact CB-CD2 4.41Å; R195-L197 PolarHBondContact O-N 3.31Å; L197-T200 HydrophobicContact CB-CG2 3.91Å; L197-T200 PolarHBondContact N-OG1 2.77Å; L197-S370 VanDerWaalsContact CD2-OG 3.3Å; L197-S370 WeakPolarHBondContact CD2-OG 3.45Å; L197-P371 HydrophobicContact CD1-CG 4.1Å; L197-S372 WeakPolarHBondContact CD1-OG 3.25Å; L197-L375 HydrophobicContact CB-CD2 3.95Å; L197-L375 HydrophobicContact CD1-CB 4.48Å; L197-L375 HydrophobicContact CD1-CD2 3.88Å; L197-Y388 VanDerWaalsContact O-CD1 3.27Å; L197-Y388 WeakPolarHBondContact O-CD1 3.35Å; L197-Y388 WeakPolarHBondContact O-CE1 3.45Å
198	G	88	Confident	91.4	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.01	8%	0.075	C	C	.	.	S	Bend	trans	91.3	102.4	-175.4	0	0	0	0	0	112.1	P22 N196 T200 Y388	P22-G198 WeakPolarHBondContact O-CA 3.43Å; P22-G198 PolarHBondContact O-N 3.01Å; N196-G198 VanDerWaalsContact C-N 3.3Å; N196-G198 WeakPolarHBondContact OD1-CA 3.5Å; N196-G198 PolarHBondContact OD1-N 3.3Å; G198-T200 WeakPolarHBondContact O-CG2 3.36Å; G198-T200 PolarHBondContact O-N 3.25Å; G198-Y388 WeakPolarHBondContact O-CD1 3.03Å
199	N	91.1	Very high	92.8	Very high	2 Å²	2	13 Å²	13	1%	0.011	6%	0.062	C	C	.	.	S	Bend	trans	52.2	24.3	-178.3	-69.3	-38.4	0	0	0	114.3	N71 N196 C201 Y202 Y388 Q390	N71-N199 PolarHBondContact OD1-ND2 3.37Å; N196-N199 PolarHBondContact OD1-N 3.15Å; N196-N199 VanDerWaalsContact OD1-N 3.11Å; N199-C201 VanDerWaalsContact C-N 3.34Å; N199-C201 PolarHBondContact O-N 2.78Å; N199-Y202 WeakPolarHBondContact O-CD1 3.15Å; N199-Y202 WeakPolarHBondContact O-CE1 3.27Å; N199-Y388 WeakPolarHBondContact CB-O 3.01Å; N199-Y388 PolarHBondContact ND2-O 3.27Å; N199-Q390 HydrophobicContact CB-CG 4.27Å; N199-Q390 PolarHBondContact OD1-NE2 3.39Å
200	T	95.9	Very high	94.1	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.018	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.2	-178.1	65.4	0	0	0	0	114.1	N196 L197 G198 Y202 M203 N204 L375	N196-T200 PolarHBondContact OD1-N 3.2Å; N196-T200 VanDerWaalsContact OD1-N 3.17Å; N196-T200 PolarHBondContact OD1-OG1 2.95Å; L197-T200 HydrophobicContact CB-CG2 3.91Å; L197-T200 PolarHBondContact N-OG1 2.77Å; G198-T200 WeakPolarHBondContact O-CG2 3.36Å; G198-T200 PolarHBondContact O-N 3.25Å; T200-Y202 PolarHBondContact O-N 2.91Å; T200-M203 PolarHBondContact O-N 3.03Å; T200-N204 PolarHBondContact O-N 2.95Å; T200-L375 HydrophobicContact CG2-CD1 4.15Å; T200-L375 HydrophobicContact CG2-CD2 4Å
201	C	95.6	Very high	95	Very high	4 Å²	4	10.1 Å²	10.1	3%	0.027	4%	0.044	C	C	.	.	H	α-helix	trans	-59.5	-30.5	-179.2	58.9	0	0	0	0	113.1	N199 M203 N204 S205 Y744	N199-C201 VanDerWaalsContact C-N 3.34Å; N199-C201 PolarHBondContact O-N 2.78Å; C201-M203 VanDerWaalsContact C-N 3.31Å; C201-M203 PolarHBondContact O-N 3.15Å; C201-N204 PolarHBondContact O-N 3.3Å; C201-S205 WeakPolarHBondContact O-CB 3.16Å; C201-S205 PolarHBondContact O-N 2.78Å; C201-S205 PolarHBondContact O-OG 3.23Å; C201-Y744 PolarHBondContact SG-N 2.81Å
202	Y	96.7	Very high	95.3	Very high	4 Å²	4	10 Å²	10	2%	0.016	4%	0.043	C	C	.	.	H	α-helix	trans	-59.2	-41.7	173.6	74.2	-87.4	0	0	0	111.6	N199 T200 S205 I206 F385 Q391 F396	N199-Y202 WeakPolarHBondContact O-CD1 3.15Å; N199-Y202 WeakPolarHBondContact O-CE1 3.27Å; T200-Y202 PolarHBondContact O-N 2.91Å; Y202-S205 PolarHBondContact O-OG 2.95Å; Y202-S205 VanDerWaalsContact O-OG 3.09Å; Y202-I206 VanDerWaalsContact O-CG1 3.29Å; Y202-I206 WeakPolarHBondContact O-CG1 2.91Å; Y202-F385 AromaticContact CE2-CD1 3.98Å; Y202-F385 HydrophobicContact CE2-CD1 3.98Å; Y202-F385 HydrophobicContact CE2-CE1 4.46Å; Y202-Q391 HydrophobicContact CD1-CB 3.74Å; Y202-Q391 HydrophobicContact CD1-CG 4.2Å; Y202-Q391 HydrophobicContact CD2-CB 3.83Å; Y202-Q391 HydrophobicContact CE1-CB 3.76Å; Y202-Q391 HydrophobicContact CE1-CG 3.73Å; Y202-Q391 HydrophobicContact CE2-CB 3.86Å; Y202-Q391 HydrophobicContact CE2-CG 4.23Å; Y202-Q391 HydrophobicContact CG-CB 3.78Å; Y202-F396 HydrophobicContact CD2-CB 3.69Å; Y202-F396 HydrophobicContact CD2-CD1 4.06Å; Y202-F396 HydrophobicContact CD2-CD2 4.24Å; Y202-F396 AromaticContact CD2-CG 3.72Å; Y202-F396 HydrophobicContact CD2-CG 3.72Å; Y202-F396 HydrophobicContact CE2-CB 3.92Å; Y202-F396 HydrophobicContact CE2-CD1 4.2Å; Y202-F396 AromaticContact CE2-CD2 3.67Å; Y202-F396 HydrophobicContact CE2-CD2 3.67Å; Y202-F396 HydrophobicContact CE2-CE2 4.26Å; Y202-F396 AromaticContact CE2-CG 3.63Å; Y202-F396 HydrophobicContact CE2-CG 3.63Å
203	M	97.9	Very high	95.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-74.8	-46.5	177.4	173.4	-177.3	76.7	0	0	110.2	T200 C201 S205 I206 L207 P371 L375 V378 F396	T200-M203 PolarHBondContact O-N 3.03Å; C201-M203 VanDerWaalsContact C-N 3.31Å; C201-M203 PolarHBondContact O-N 3.15Å; M203-S205 PolarHBondContact O-N 3.04Å; M203-I206 PolarHBondContact O-N 3.16Å; M203-L207 HydrophobicContact CE-CD1 4.38Å; M203-L207 HydrophobicContact CG-CD1 3.64Å; M203-L207 HydrophobicContact CG-CG 4.14Å; M203-L207 VanDerWaalsContact O-CG 3.3Å; M203-L207 WeakPolarHBondContact O-CG 3.13Å; M203-L207 PolarHBondContact O-N 2.8Å; M203-L207 HydrophobicContact SD-CD1 4.27Å; M203-P371 HydrophobicContact CE-CB 4.28Å; M203-P371 HydrophobicContact CE-CG 3.91Å; M203-L375 HydrophobicContact CE-CB 4.31Å; M203-L375 HydrophobicContact CE-CD1 4.12Å; M203-L375 HydrophobicContact SD-CD1 4.2Å; M203-V378 HydrophobicContact SD-CG2 4.32Å; M203-F396 HydrophobicContact CB-CD1 4.33Å; M203-F396 HydrophobicContact CB-CE1 3.83Å; M203-F396 HydrophobicContact CB-CZ 3.99Å; M203-F396 HydrophobicContact CG-CE1 3.67Å; M203-F396 HydrophobicContact CG-CE2 4.44Å; M203-F396 HydrophobicContact CG-CZ 3.56Å; M203-F396 HydrophobicContact SD-CZ 4.25Å
204	N	98	Very high	95.3	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-59.3	-47.4	-177.3	-71.1	-14.2	0	0	0	111.5	L194 R195 T200 C201 I206 L207 Q208 D761	L194-N204 HydrophobicContact CB-CB 4.14Å; L194-N204 HydrophobicContact CD1-CB 4.1Å; R195-N204 PolarHBondContact O-ND2 2.87Å; T200-N204 PolarHBondContact O-N 2.95Å; C201-N204 PolarHBondContact O-N 3.3Å; N204-I206 VanDerWaalsContact C-N 3.31Å; N204-I206 PolarHBondContact O-N 3.18Å; N204-L207 PolarHBondContact O-N 2.94Å; N204-Q208 WeakPolarHBondContact O-CB 3.34Å; N204-Q208 WeakPolarHBondContact O-CG 3.28Å; N204-Q208 PolarHBondContact O-N 3.22Å; N204-D761 WeakPolarHBondContact CB-OD1 3.41Å; N204-D761 PolarHBondContact ND2-OD1 2.85Å
205	S	98.2	Very high	95.1	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.014	7%	0.066	C	C	.	.	H	α-helix	trans	-59.5	-38.8	177.6	58.4	0	0	0	0	112.8	C201 Y202 M203 I209 Y744	C201-S205 WeakPolarHBondContact O-CB 3.16Å; C201-S205 PolarHBondContact O-N 2.78Å; C201-S205 PolarHBondContact O-OG 3.23Å; Y202-S205 PolarHBondContact O-OG 2.95Å; Y202-S205 VanDerWaalsContact O-OG 3.09Å; M203-S205 PolarHBondContact O-N 3.04Å; S205-I209 VanDerWaalsContact O-CG1 3.3Å; S205-I209 WeakPolarHBondContact O-CG1 3.32Å; S205-I209 PolarHBondContact O-N 3.36Å; S205-I209 VanDerWaalsContact O-N 3.12Å; S205-Y744 WeakPolarHBondContact OG-CB 3.2Å
206	I	98.7	Very high	95	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-68.8	-43.7	175.5	-66.8	-56.6	0	0	0	111.9	Y202 M203 N204 Q208 I209 L210 A393 F396 L397 L400 V732 I779	Y202-I206 VanDerWaalsContact O-CG1 3.29Å; Y202-I206 WeakPolarHBondContact O-CG1 2.91Å; M203-I206 PolarHBondContact O-N 3.16Å; N204-I206 VanDerWaalsContact C-N 3.31Å; N204-I206 PolarHBondContact O-N 3.18Å; I206-Q208 VanDerWaalsContact C-N 3.29Å; I206-Q208 PolarHBondContact O-N 2.7Å; I206-I209 PolarHBondContact O-N 3.03Å; I206-L210 HydrophobicContact CG2-CD1 3.78Å; I206-L210 HydrophobicContact CG2-CG 4.16Å; I206-L210 WeakPolarHBondContact O-CB 3.21Å; I206-L210 WeakPolarHBondContact O-CG 3.12Å; I206-L210 PolarHBondContact O-N 3.45Å; I206-A393 HydrophobicContact CD1-CB 4.27Å; I206-A393 HydrophobicContact CG1-CB 4.09Å; I206-F396 HydrophobicContact CB-CD1 4.13Å; I206-F396 HydrophobicContact CB-CE1 4.25Å; I206-F396 HydrophobicContact CG1-CD1 4.18Å; I206-F396 HydrophobicContact CG2-CD1 4.2Å; I206-F396 HydrophobicContact CG2-CE1 4.18Å; I206-L397 HydrophobicContact CD1-CB 3.91Å; I206-L397 HydrophobicContact CD1-CD2 4.17Å; I206-L397 HydrophobicContact CD1-CG 4.45Å; I206-L397 HydrophobicContact CG1-CB 4.19Å; I206-L397 HydrophobicContact CG2-CB 4.07Å; I206-L397 HydrophobicContact CG2-CD1 3.73Å; I206-L397 HydrophobicContact CG2-CG 4.43Å; I206-L400 HydrophobicContact CG2-CD2 4.3Å; I206-V732 HydrophobicContact CD1-CG2 4.01Å; I206-I779 HydrophobicContact CD1-CD1 4.18Å
207	L	98.3	Very high	95	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63	-38	177.8	-68.4	170.7	0	0	0	112.1	L194 M203 N204 R211 L357 F358 L374	L194-L207 HydrophobicContact CD1-CB 3.94Å; L194-L207 HydrophobicContact CD1-CD1 4.14Å; M203-L207 HydrophobicContact CE-CD1 4.38Å; M203-L207 HydrophobicContact CG-CD1 3.64Å; M203-L207 HydrophobicContact CG-CG 4.14Å; M203-L207 VanDerWaalsContact O-CG 3.3Å; M203-L207 WeakPolarHBondContact O-CG 3.13Å; M203-L207 PolarHBondContact O-N 2.8Å; M203-L207 HydrophobicContact SD-CD1 4.27Å; N204-L207 PolarHBondContact O-N 2.94Å; L207-R211 WeakPolarHBondContact O-CB 3.16Å; L207-R211 WeakPolarHBondContact O-CG 3.03Å; L207-R211 PolarHBondContact O-N 2.66Å; L207-L357 HydrophobicContact CD1-CD2 4Å; L207-F358 HydrophobicContact CD2-CE1 4.44Å; L207-L374 HydrophobicContact CD1-CD2 3.54Å; L207-L374 HydrophobicContact CD2-CD2 3.78Å; L207-L374 HydrophobicContact CG-CD2 4.32Å
208	Q	96.9	Very high	94.9	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.009	6%	0.058	C	C	.	.	H	α-helix	trans	-60	-47.5	173	-69	-78.8	-5	0	0	111	T192 L194 N204 I206 R211 H212 S746 C748 C759	T192-Q208 PolarHBondContact O-NE2 2.8Å; L194-Q208 HydrophobicContact CD1-CG 4.3Å; N204-Q208 WeakPolarHBondContact O-CB 3.34Å; N204-Q208 WeakPolarHBondContact O-CG 3.28Å; N204-Q208 PolarHBondContact O-N 3.22Å; I206-Q208 VanDerWaalsContact C-N 3.29Å; I206-Q208 PolarHBondContact O-N 2.7Å; Q208-R211 VanDerWaalsContact CD-CZ 3.42Å; Q208-R211 VanDerWaalsContact CD-NH1 3.29Å; Q208-R211 VanDerWaalsContact NE2-NH1 3.18Å; Q208-R211 WeakPolarHBondContact O-CG 3.38Å; Q208-H212 PolarHBondContact O-CD2 3.07Å; Q208-H212 PolarHBondContact O-N 3.3Å; Q208-S746 VanDerWaalsContact CB-OG 3.25Å; Q208-S746 WeakPolarHBondContact CB-OG 3.46Å; Q208-C748 VanDerWaalsContact C-SG 3.58Å; Q208-C748 PolarHBondContact O-SG 3.43Å; Q208-C759 HydrophobicContact CB-CB 4.14Å; Q208-C759 HydrophobicContact CG-CB 3.81Å; Q208-C759 PolarHBondContact OE1-SG 2.94Å
209	I	97.6	Very high	95.1	Very high	2 Å²	2	12 Å²	12	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-65.9	-46.3	177.5	-66.5	-77.5	0	0	0	112	S205 I206 R211 H212 T213 V732 Y747 F781	S205-I209 VanDerWaalsContact O-CG1 3.3Å; S205-I209 WeakPolarHBondContact O-CG1 3.32Å; S205-I209 PolarHBondContact O-N 3.36Å; S205-I209 VanDerWaalsContact O-N 3.12Å; I206-I209 PolarHBondContact O-N 3.03Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 2.91Å; I209-H212 CarbonylContact O-C 3.36Å; I209-H212 PolarHBondContact O-N 3.45Å; I209-H212 VanDerWaalsContact O-N 3.12Å; I209-T213 PolarHBondContact O-N 2.71Å; I209-T213 PolarHBondContact O-OG1 3.38Å; I209-V732 HydrophobicContact CD1-CG2 4.33Å; I209-V732 HydrophobicContact CG1-CG2 3.77Å; I209-Y747 VanDerWaalsContact CD1-O 3.3Å; I209-Y747 WeakPolarHBondContact CD1-O 3.49Å; I209-F781 HydrophobicContact CG2-CB 4.34Å; I209-F781 HydrophobicContact CG2-CD1 3.67Å; I209-F781 HydrophobicContact CG2-CD2 3.54Å; I209-F781 HydrophobicContact CG2-CE1 3.68Å; I209-F781 HydrophobicContact CG2-CE2 3.56Å; I209-F781 HydrophobicContact CG2-CG 3.59Å; I209-F781 HydrophobicContact CG2-CZ 3.61Å
210	L	97.5	Very high	95.2	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-36.7	-176.9	-73	178.6	0	0	0	112.3	I206 H212 T213 F216 F358 L397 L400 F426 F781	I206-L210 HydrophobicContact CG2-CD1 3.78Å; I206-L210 HydrophobicContact CG2-CG 4.16Å; I206-L210 WeakPolarHBondContact O-CB 3.21Å; I206-L210 WeakPolarHBondContact O-CG 3.12Å; I206-L210 PolarHBondContact O-N 3.45Å; L210-H212 PolarHBondContact O-N 3.32Å; L210-T213 PolarHBondContact O-N 3.22Å; L210-F216 HydrophobicContact CB-CD1 3.92Å; L210-F216 HydrophobicContact CB-CE1 3.84Å; L210-F216 HydrophobicContact CD1-CE1 4.17Å; L210-F216 HydrophobicContact CD1-CZ 4.17Å; L210-F216 HydrophobicContact CD2-CD1 4.22Å; L210-F216 HydrophobicContact CD2-CE1 4.33Å; L210-F216 HydrophobicContact CD2-CG 4.31Å; L210-F216 HydrophobicContact CG-CE1 4.34Å; L210-F358 HydrophobicContact CB-CZ 4Å; L210-L397 HydrophobicContact CD1-CD1 4.1Å; L210-L397 HydrophobicContact CD2-CD1 4.08Å; L210-L397 HydrophobicContact CG-CD1 4.32Å; L210-L400 HydrophobicContact CD1-CD2 3.85Å; L210-F426 HydrophobicContact CD2-CZ 4.05Å; L210-F781 HydrophobicContact CD2-CE1 4.47Å
211	R	94.1	Very high	95	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-68.1	-22.5	176.7	75.4	173.5	-169	-156.3	15.1	113.3	A190 T192 L207 Q208 I209 A217 F358 W362	A190-R211 PolarHBondContact O-NH2 2.8Å; T192-R211 PolarHBondContact O-NH1 3.28Å; T192-R211 PolarHBondContact O-NH2 3.26Å; L207-R211 WeakPolarHBondContact O-CB 3.16Å; L207-R211 WeakPolarHBondContact O-CG 3.03Å; L207-R211 PolarHBondContact O-N 2.66Å; Q208-R211 VanDerWaalsContact CD-CZ 3.42Å; Q208-R211 VanDerWaalsContact CD-NH1 3.29Å; Q208-R211 VanDerWaalsContact NE2-NH1 3.18Å; Q208-R211 WeakPolarHBondContact O-CG 3.38Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 2.91Å; R211-A217 WeakPolarHBondContact O-CB 3.43Å; R211-F358 HydrophobicContact CB-CD1 4.1Å; R211-F358 HydrophobicContact CB-CD2 4.22Å; R211-F358 HydrophobicContact CB-CE1 3.8Å; R211-F358 HydrophobicContact CB-CE2 3.93Å; R211-F358 HydrophobicContact CB-CG 4.3Å; R211-F358 HydrophobicContact CB-CZ 3.71Å; R211-W362 VanDerWaalsContact O-CZ2 3.31Å; R211-W362 WeakPolarHBondContact O-CZ2 3.49Å; R211-W362 PolarHBondContact O-NE1 3.23Å
212	H	93	Very high	94.7	Very high	13 Å²	13	19.2 Å²	19.2	6%	0.06	10%	0.104	C	C	.	.	H	α-helix	trans	-97	-5.1	175.3	-73.5	-74.5	0	0	0	112.6	Q208 I209 L210 A214 W362 C748 N750	Q208-H212 PolarHBondContact O-CD2 3.07Å; Q208-H212 PolarHBondContact O-N 3.3Å; I209-H212 CarbonylContact O-C 3.36Å; I209-H212 PolarHBondContact O-N 3.45Å; I209-H212 VanDerWaalsContact O-N 3.12Å; L210-H212 PolarHBondContact O-N 3.32Å; H212-A214 PolarHBondContact O-N 3.45Å; H212-A214 VanDerWaalsContact O-N 3.16Å; H212-W362 AromaticContact CE1-CH2 3.99Å; H212-W362 AromaticContact CE1-CZ2 3.99Å; H212-W362 AromaticContact ND1-CH2 4Å; H212-W362 AromaticContact ND1-CZ2 3.92Å; H212-C748 HydrophobicContact CB-CB 3.9Å; H212-C748 WeakPolarHBondContact CD2-CB 3.15Å; H212-N750 PolarHBondContact CE1-OD1 3.44Å
213	T	94.5	Very high	94.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	12%	0.118	C	C	.	.			trans	-82	93.4	175	-59.4	0	0	0	0	109.4	I209 L210 F216 A217 F426 V637	I209-T213 PolarHBondContact O-N 2.71Å; I209-T213 PolarHBondContact O-OG1 3.38Å; L210-T213 PolarHBondContact O-N 3.22Å; T213-F216 HydrophobicContact CG2-CB 4.08Å; T213-F216 WeakPolarHBondContact O-CA 3.4Å; T213-F216 WeakPolarHBondContact O-CB 3.26Å; T213-F216 PolarHBondContact O-N 3.35Å; T213-A217 PolarHBondContact O-N 2.98Å; T213-F426 HydrophobicContact CG2-CE1 4.17Å; T213-F426 HydrophobicContact CG2-CZ 4.01Å; T213-V637 HydrophobicContact CG2-CB 4.39Å; T213-V637 HydrophobicContact CG2-CG1 3.93Å; T213-V637 HydrophobicContact CG2-CG2 3.8Å
214	A	90.6	Very high	94	Very high	31 Å²	31	23.7 Å²	23.7	26%	0.256	13%	0.128	S	C	.	.	H	α-helix	trans	-49.6	-47.2	-167.6	0	0	0	0	0	115.8	H212 F216 N218	H212-A214 PolarHBondContact O-N 3.45Å; H212-A214 VanDerWaalsContact O-N 3.16Å; A214-F216 VanDerWaalsContact C-N 3.25Å; A214-F216 PolarHBondContact O-N 3.48Å; A214-N218 WeakPolarHBondContact O-CB 3.45Å; A214-N218 PolarHBondContact O-N 3.34Å; A214-N218 PolarHBondContact O-ND2 3.48Å
215	P	91.3	Very high	93.4	Very high	33 Å²	33	25.3 Å²	25.3	21%	0.214	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-33.2	177.3	-25.5	36.4	0	0	0	114.1	A425 V637	P215-A425 HydrophobicContact CB-CB 4.04Å; P215-V637 HydrophobicContact CB-CG2 4.46Å; P215-V637 HydrophobicContact CG-CG2 3.87Å
216	F	94.4	Very high	92.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-80.6	-54.2	178.1	-177.9	-89	0	0	0	110.9	L210 T213 A214 N218 Y219 I220 F358 L401 L404 F421 I422 F426	L210-F216 HydrophobicContact CB-CD1 3.92Å; L210-F216 HydrophobicContact CB-CE1 3.84Å; L210-F216 HydrophobicContact CD1-CE1 4.17Å; L210-F216 HydrophobicContact CD1-CZ 4.17Å; L210-F216 HydrophobicContact CD2-CD1 4.22Å; L210-F216 HydrophobicContact CD2-CE1 4.33Å; L210-F216 HydrophobicContact CD2-CG 4.31Å; L210-F216 HydrophobicContact CG-CE1 4.34Å; T213-F216 HydrophobicContact CG2-CB 4.08Å; T213-F216 WeakPolarHBondContact O-CA 3.4Å; T213-F216 WeakPolarHBondContact O-CB 3.26Å; T213-F216 PolarHBondContact O-N 3.35Å; A214-F216 VanDerWaalsContact C-N 3.25Å; A214-F216 PolarHBondContact O-N 3.48Å; F216-N218 PolarHBondContact O-N 2.78Å; F216-Y219 PolarHBondContact O-N 3.05Å; F216-I220 HydrophobicContact CD1-CG1 4.14Å; F216-I220 HydrophobicContact CE1-CG1 3.78Å; F216-I220 HydrophobicContact CZ-CD1 4.37Å; F216-I220 HydrophobicContact CZ-CG1 4.05Å; F216-I220 WeakPolarHBondContact O-CG1 3.5Å; F216-I220 PolarHBondContact O-N 2.78Å; F216-I220 VanDerWaalsContact O-N 3.08Å; F216-F358 AromaticContact CD1-CE2 3.97Å; F216-F358 HydrophobicContact CD1-CE2 3.97Å; F216-F358 HydrophobicContact CD1-CZ 4.45Å; F216-F358 AromaticContact CE1-CE2 3.75Å; F216-F358 HydrophobicContact CE1-CE2 3.75Å; F216-F358 AromaticContact CE1-CZ 3.98Å; F216-F358 HydrophobicContact CE1-CZ 3.98Å; F216-L401 HydrophobicContact CD2-CD2 4.31Å; F216-L401 HydrophobicContact CE2-CD2 3.62Å; F216-L401 HydrophobicContact CZ-CD2 4.29Å; F216-L404 HydrophobicContact CE2-CD1 4.32Å; F216-L404 HydrophobicContact CZ-CD1 3.99Å; F216-F421 HydrophobicContact CD2-CD2 4.24Å; F216-F421 AromaticContact CD2-CE2 3.41Å; F216-F421 HydrophobicContact CD2-CE2 3.41Å; F216-F421 VanDerWaalsContact CD2-CE2 3.41Å; F216-F421 HydrophobicContact CD2-CZ 4.15Å; F216-F421 AromaticContact CE2-CE2 3.54Å; F216-F421 HydrophobicContact CE2-CE2 3.54Å; F216-F421 AromaticContact CE2-CZ 3.8Å; F216-F421 HydrophobicContact CE2-CZ 3.8Å; F216-F421 HydrophobicContact CG-CE2 4.16Å; F216-F421 HydrophobicContact CZ-CE2 4.35Å; F216-F421 HydrophobicContact CZ-CZ 4.48Å; F216-I422 HydrophobicContact CE2-CG1 4.44Å; F216-F426 HydrophobicContact CB-CE2 4.29Å; F216-F426 HydrophobicContact CB-CZ 4.23Å; F216-F426 AromaticContact CD2-CE2 3.75Å; F216-F426 HydrophobicContact CD2-CE2 3.75Å; F216-F426 HydrophobicContact CD2-CZ 4.31Å; F216-F426 HydrophobicContact CG-CE2 4.35Å
217	A	93.5	Very high	92.1	Very high	4 Å²	4	33 Å²	33	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-44.3	-177.4	0	0	0	0	0	112.3	R211 T213 Y219 I220 M221	R211-A217 WeakPolarHBondContact O-CB 3.43Å; T213-A217 PolarHBondContact O-N 2.98Å; A217-Y219 VanDerWaalsContact C-N 3.3Å; A217-Y219 PolarHBondContact O-N 2.63Å; A217-I220 PolarHBondContact O-N 3.46Å; A217-M221 VanDerWaalsContact O-CB 3.3Å; A217-M221 WeakPolarHBondContact O-CB 3.4Å; A217-M221 WeakPolarHBondContact O-CG 3.42Å; A217-M221 PolarHBondContact O-N 3.24Å
218	N	91.6	Very high	91.3	Very high	95 Å²	95	34.5 Å²	34.5	51%	0.508	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-35.6	179.2	-69.6	-21.7	0	0	0	112.2	A214 F216 N222	A214-N218 WeakPolarHBondContact O-CB 3.45Å; A214-N218 PolarHBondContact O-N 3.34Å; A214-N218 PolarHBondContact O-ND2 3.48Å; F216-N218 PolarHBondContact O-N 2.78Å; N218-N222 WeakPolarHBondContact O-CB 3.06Å; N218-N222 PolarHBondContact O-N 3.18Å; N218-N222 PolarHBondContact O-ND2 3.38Å
219	Y	92.1	Very high	90.5	Very high	51 Å²	51	36.7 Å²	36.7	20%	0.2	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-50.7	176.5	-175.3	-91.7	0	0	0	110.8	F216 A217 M221 N222 H223 I228 Y351 F421	F216-Y219 PolarHBondContact O-N 3.05Å; A217-Y219 VanDerWaalsContact C-N 3.3Å; A217-Y219 PolarHBondContact O-N 2.63Å; Y219-M221 VanDerWaalsContact C-N 3.32Å; Y219-M221 PolarHBondContact O-N 3.24Å; Y219-N222 PolarHBondContact O-N 3.17Å; Y219-H223 AromaticContact CD2-CD2 3.42Å; Y219-H223 VanDerWaalsContact CD2-CD2 3.42Å; Y219-H223 WeakPolarHBondContact CD2-CD2 3.37Å; Y219-H223 HydrophobicContact CE1-CB 4.49Å; Y219-H223 AromaticContact CE2-CD2 3.47Å; Y219-H223 VanDerWaalsContact CE2-CD2 3.47Å; Y219-H223 WeakPolarHBondContact CE2-CD2 3.27Å; Y219-H223 AromaticContact CG-CD2 3.96Å; Y219-H223 WeakPolarHBondContact O-CB 3.21Å; Y219-H223 PolarHBondContact O-CD2 2.94Å; Y219-H223 PolarHBondContact O-N 3.3Å; Y219-H223 VanDerWaalsContact O-N 3.09Å; Y219-I228 HydrophobicContact CE1-CD1 4.06Å; Y219-Y351 HydrophobicContact CE1-CE2 4.24Å; Y219-Y351 WeakPolarHBondContact CE1-OH 3.24Å; Y219-F421 HydrophobicContact CD1-CB 3.67Å; Y219-F421 AromaticContact CD1-CD1 3.42Å; Y219-F421 HydrophobicContact CD1-CD1 3.42Å; Y219-F421 VanDerWaalsContact CD1-CD1 3.42Å; Y219-F421 AromaticContact CD1-CD2 3.34Å; Y219-F421 HydrophobicContact CD1-CD2 3.34Å; Y219-F421 AromaticContact CD1-CE1 3.84Å; Y219-F421 HydrophobicContact CD1-CE1 3.84Å; Y219-F421 AromaticContact CD1-CE2 3.72Å; Y219-F421 HydrophobicContact CD1-CE2 3.72Å; Y219-F421 AromaticContact CD1-CG 3.16Å; Y219-F421 HydrophobicContact CD1-CG 3.16Å; Y219-F421 AromaticContact CD1-CZ 3.97Å; Y219-F421 HydrophobicContact CD1-CZ 3.97Å; Y219-F421 HydrophobicContact CD2-CB 3.53Å; Y219-F421 HydrophobicContact CD2-CD2 4.47Å; Y219-F421 HydrophobicContact CD2-CG 4.03Å; Y219-F421 HydrophobicContact CE1-CB 3.89Å; Y219-F421 AromaticContact CE1-CD1 3.28Å; Y219-F421 HydrophobicContact CE1-CD1 3.28Å; Y219-F421 HydrophobicContact CE1-CD2 4.12Å; Y219-F421 AromaticContact CE1-CE1 3.78Å; Y219-F421 HydrophobicContact CE1-CE1 3.78Å; Y219-F421 HydrophobicContact CE1-CE2 4.49Å; Y219-F421 AromaticContact CE1-CG 3.48Å; Y219-F421 HydrophobicContact CE1-CG 3.48Å; Y219-F421 VanDerWaalsContact CE1-CG 3.48Å; Y219-F421 HydrophobicContact CE1-CZ 4.36Å; Y219-F421 HydrophobicContact CE2-CB 3.78Å; Y219-F421 HydrophobicContact CE2-CG 4.31Å; Y219-F421 HydrophobicContact CG-CB 3.46Å; Y219-F421 VanDerWaalsContact CG-CB 3.46Å; Y219-F421 HydrophobicContact CG-CD1 4.16Å; Y219-F421 AromaticContact CG-CD2 3.54Å; Y219-F421 HydrophobicContact CG-CD2 3.54Å; Y219-F421 HydrophobicContact CG-CE2 4.28Å; Y219-F421 AromaticContact CG-CG 3.45Å; Y219-F421 HydrophobicContact CG-CG 3.45Å; Y219-F421 VanDerWaalsContact CG-CG 3.45Å; Y219-F421 AromaticContact CZ-CD1 3.95Å
220	I	93.3	Very high	89.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-43.7	178.6	-65.6	-60.3	0	0	0	111.2	F216 A217 N222 Y351 I354 N355 F358 F421	F216-I220 HydrophobicContact CD1-CG1 4.14Å; F216-I220 HydrophobicContact CE1-CG1 3.78Å; F216-I220 HydrophobicContact CZ-CD1 4.37Å; F216-I220 HydrophobicContact CZ-CG1 4.05Å; F216-I220 WeakPolarHBondContact O-CG1 3.5Å; F216-I220 PolarHBondContact O-N 2.78Å; F216-I220 VanDerWaalsContact O-N 3.08Å; A217-I220 PolarHBondContact O-N 3.46Å; I220-N222 PolarHBondContact O-N 2.74Å; I220-Y351 HydrophobicContact CD1-CD2 3.97Å; I220-Y351 HydrophobicContact CD1-CE2 3.32Å; I220-I354 HydrophobicContact CG2-CG2 4.09Å; I220-N355 HydrophobicContact CG2-CB 4.27Å; I220-N355 PolarHBondContact O-ND2 2.9Å; I220-F358 HydrophobicContact CB-CD2 4.09Å; I220-F358 HydrophobicContact CB-CE2 4.46Å; I220-F358 HydrophobicContact CG2-CB 4.32Å; I220-F358 HydrophobicContact CG2-CD2 3.67Å; I220-F358 HydrophobicContact CG2-CE2 4.31Å; I220-F358 HydrophobicContact CG2-CG 4.19Å; I220-F421 HydrophobicContact CD1-CE2 3.95Å; I220-F421 HydrophobicContact CD1-CZ 3.67Å; I220-F421 HydrophobicContact CG1-CE2 4.13Å; I220-F421 HydrophobicContact CG1-CZ 4.35Å
221	M	90.9	Very high	88	Confident	52 Å²	52	44.2 Å²	44.2	26%	0.256	24%	0.24	S	C	.	.	H	α-helix	trans	-69.1	-31.2	-176.3	-72.8	-68.9	-70.3	0	0	113.6	A217 Y219 F358 K359 W362	A217-M221 VanDerWaalsContact O-CB 3.3Å; A217-M221 WeakPolarHBondContact O-CB 3.4Å; A217-M221 WeakPolarHBondContact O-CG 3.42Å; A217-M221 PolarHBondContact O-N 3.24Å; Y219-M221 VanDerWaalsContact C-N 3.32Å; Y219-M221 PolarHBondContact O-N 3.24Å; M221-F358 HydrophobicContact CG-CB 4.43Å; M221-F358 HydrophobicContact SD-CB 3.57Å; M221-F358 VanDerWaalsContact SD-CB 3.57Å; M221-K359 HydrophobicContact CE-CG 4.11Å; M221-K359 HydrophobicContact SD-CG 3.94Å; M221-K359 PolarHBondContact SD-N 3.43Å; M221-W362 HydrophobicContact CE-CB 3.87Å; M221-W362 HydrophobicContact CE-CG 4.25Å
222	N	90.5	Very high	86.5	Confident	109 Å²	109	44.9 Å²	44.9	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-102.3	-5.9	-172.7	-65.7	-48.8	0	0	0	114.6	N218 Y219 I220	N218-N222 WeakPolarHBondContact O-CB 3.06Å; N218-N222 PolarHBondContact O-N 3.18Å; N218-N222 PolarHBondContact O-ND2 3.38Å; Y219-N222 PolarHBondContact O-N 3.17Å; I220-N222 PolarHBondContact O-N 2.74Å
223	H	89.9	Confident	84.7	Confident	66 Å²	66	53.4 Å²	53.4	31%	0.306	28%	0.277	S	S	.	.			trans	-129.5	113.2	-179.9	-63.7	-62.4	0	0	0	110.6	Y219 I228 Y351 N355	Y219-H223 AromaticContact CD2-CD2 3.42Å; Y219-H223 VanDerWaalsContact CD2-CD2 3.42Å; Y219-H223 WeakPolarHBondContact CD2-CD2 3.37Å; Y219-H223 HydrophobicContact CE1-CB 4.49Å; Y219-H223 AromaticContact CE2-CD2 3.47Å; Y219-H223 VanDerWaalsContact CE2-CD2 3.47Å; Y219-H223 WeakPolarHBondContact CE2-CD2 3.27Å; Y219-H223 AromaticContact CG-CD2 3.96Å; Y219-H223 WeakPolarHBondContact O-CB 3.21Å; Y219-H223 PolarHBondContact O-CD2 2.94Å; Y219-H223 PolarHBondContact O-N 3.3Å; Y219-H223 VanDerWaalsContact O-N 3.09Å; H223-I228 HydrophobicContact CB-CD1 4Å; H223-I228 HydrophobicContact CB-CG1 3.98Å; H223-Y351 WeakPolarHBondContact O-CE1 3.44Å; H223-Y351 PolarHBondContact O-OH 3.49Å; H223-N355 PolarHBondContact O-ND2 2.91Å
224	T	90.1	Very high	82.8	Confident	32 Å²	32	60.6 Å²	60.6	20%	0.196	31%	0.308	C	S	.	.			trans	-79.1	156.6	167.8	59.8	0	0	0	0	110.4	S226 E227 I228	T224-S226 PolarHBondContact O-N 2.77Å; T224-S226 PolarHBondContact OG1-OG 2.75Å; T224-S226 VanDerWaalsContact OG1-OG 3.09Å; T224-E227 PolarHBondContact N-OE2 3.32Å; T224-E227 PolarHBondContact O-N 3.27Å; T224-E227 WeakPolarHBondContact OG1-CG 3.34Å; T224-E227 PolarHBondContact OG1-N 3.1Å; T224-E227 PolarHBondContact OG1-OE2 3.45Å; T224-I228 WeakPolarHBondContact O-CG1 3.08Å; T224-I228 PolarHBondContact O-N 3.48Å; T224-I228 VanDerWaalsContact O-N 3.09Å
225	L	85.4	Confident	80.7	Confident	35 Å²	35	67.4 Å²	67.4	18%	0.183	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-34.4	179	-171.6	60.7	0	0	0	112	I228 N229 Y351 L408	L225-I228 PolarHBondContact O-N 2.79Å; L225-N229 WeakPolarHBondContact O-CB 3.47Å; L225-N229 PolarHBondContact O-N 3.41Å; L225-N229 PolarHBondContact O-ND2 2.8Å; L225-Y351 HydrophobicContact CB-CD1 4.08Å; L225-Y351 HydrophobicContact CB-CE1 4.5Å; L225-Y351 HydrophobicContact CD1-CD1 4.29Å; L225-L408 HydrophobicContact CD1-CD2 4.34Å
226	S	84.5	Confident	78.5	Confident	84 Å²	84	71.1 Å²	71.1	59%	0.587	34%	0.341	S	S	*	.	H	α-helix	trans	-65.4	-42	176	53.9	0	0	0	0	112.6	T224 N229 S230	T224-S226 PolarHBondContact O-N 2.77Å; T224-S226 PolarHBondContact OG1-OG 2.75Å; T224-S226 VanDerWaalsContact OG1-OG 3.09Å; S226-N229 PolarHBondContact O-N 3.07Å; S226-S230 WeakPolarHBondContact O-CB 3.38Å; S226-S230 PolarHBondContact O-N 2.78Å
227	E	84.1	Confident	75.9	Confident	81 Å²	81	74.8 Å²	74.8	38%	0.379	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-47.2	175.3	-74.3	160.7	166.6	0	0	111.2	T224 N229 S230 H231	T224-E227 PolarHBondContact N-OE2 3.32Å; T224-E227 PolarHBondContact O-N 3.27Å; T224-E227 WeakPolarHBondContact OG1-CG 3.34Å; T224-E227 PolarHBondContact OG1-N 3.1Å; T224-E227 PolarHBondContact OG1-OE2 3.45Å; E227-N229 VanDerWaalsContact C-N 3.3Å; E227-N229 PolarHBondContact O-N 2.75Å; E227-S230 PolarHBondContact O-N 3.48Å; E227-S230 VanDerWaalsContact O-N 3.13Å; E227-S230 PolarHBondContact O-OG 3.22Å; E227-H231 PolarHBondContact O-CD2 3.41Å; E227-H231 PolarHBondContact O-N 2.75Å
228	I	81.8	Confident	72.9	Confident	31 Å²	31	83.1 Å²	83.1	16%	0.159	41%	0.405	C	S	.	.	H	α-helix	trans	-56.4	-47.2	177.2	-65.1	169.3	0	0	0	110.3	Y219 H223 T224 L225 S230 H231 S232 Y351 L408	Y219-I228 HydrophobicContact CE1-CD1 4.06Å; H223-I228 HydrophobicContact CB-CD1 4Å; H223-I228 HydrophobicContact CB-CG1 3.98Å; T224-I228 WeakPolarHBondContact O-CG1 3.08Å; T224-I228 PolarHBondContact O-N 3.48Å; T224-I228 VanDerWaalsContact O-N 3.09Å; L225-I228 PolarHBondContact O-N 2.79Å; I228-S230 PolarHBondContact O-N 3.47Å; I228-H231 PolarHBondContact O-N 3.37Å; I228-S232 PolarHBondContact O-N 3.36Å; I228-Y351 HydrophobicContact CD1-CE1 4.01Å; I228-Y351 HydrophobicContact CD1-CE2 4.28Å; I228-Y351 WeakPolarHBondContact CD1-OH 3.21Å; I228-L408 HydrophobicContact CD1-CD2 3.89Å; I228-L408 HydrophobicContact CG2-CD2 4.13Å
229	N	79.6	Confident	70.6	Confident	48 Å²	48	83.2 Å²	83.2	26%	0.257	41%	0.41	S	S	.	.	H	α-helix	trans	-65.4	-36.9	178.5	-70	-21	0	0	0	112.6	L225 S226 E227 S232 R233 V411	L225-N229 WeakPolarHBondContact O-CB 3.47Å; L225-N229 PolarHBondContact O-N 3.41Å; L225-N229 PolarHBondContact O-ND2 2.8Å; S226-N229 PolarHBondContact O-N 3.07Å; E227-N229 VanDerWaalsContact C-N 3.3Å; E227-N229 PolarHBondContact O-N 2.75Å; N229-S232 PolarHBondContact O-N 3.18Å; N229-R233 PolarHBondContact O-N 3.33Å; N229-V411 WeakPolarHBondContact OD1-CG2 3.5Å
230	S	77.1	Confident	67.7	Low	47 Å²	47	88 Å²	88	33%	0.329	44%	0.44	S	S	.	.	H	α-helix	trans	-68.2	-37.2	178.5	79	0	0	0	0	112.8	S226 E227 I228 S232 R233 K234	S226-S230 WeakPolarHBondContact O-CB 3.38Å; S226-S230 PolarHBondContact O-N 2.78Å; E227-S230 PolarHBondContact O-N 3.48Å; E227-S230 VanDerWaalsContact O-N 3.13Å; E227-S230 PolarHBondContact O-OG 3.22Å; I228-S230 PolarHBondContact O-N 3.47Å; S230-S232 VanDerWaalsContact C-N 3.29Å; S230-S232 PolarHBondContact O-N 3.48Å; S230-R233 PolarHBondContact O-N 2.87Å; S230-K234 PolarHBondContact O-N 2.82Å
231	H	66.5	Low	64.6	Low	113 Å²	113	95.2 Å²	95.2	52%	0.523	48%	0.478	S	S	.	.	H	α-helix	trans	-67.1	-30.4	176.7	-79.2	-64.8	0	0	0	112.5	E227 I228	E227-H231 PolarHBondContact O-CD2 3.41Å; E227-H231 PolarHBondContact O-N 2.75Å; I228-H231 PolarHBondContact O-N 3.37Å
232	S	61.6	Low	61.6	Low	15 Å²	15	101.5 Å²	101.5	11%	0.105	51%	0.512	C	S	.	.	H	α-helix	trans	-66.5	-45.5	170.4	179.5	0	0	0	0	111.3	I228 N229 S230 R235 H236	I228-S232 PolarHBondContact O-N 3.36Å; N229-S232 PolarHBondContact O-N 3.18Å; S230-S232 VanDerWaalsContact C-N 3.29Å; S230-S232 PolarHBondContact O-N 3.48Å; S232-R235 PolarHBondContact O-N 3.32Å; S232-H236 PolarHBondContact O-CD2 3.27Å
233	R	55.6	Low	58.6	Low	193 Å²	193	100.9 Å²	100.9	73%	0.728	52%	0.516	S	S	*	.	H	α-helix	trans	-68.7	-39	-179	-67.7	-177.5	-173.7	177.8	2.5	114.4	N229 S230 R235 H236	N229-R233 PolarHBondContact O-N 3.33Å; S230-R233 PolarHBondContact O-N 2.87Å; R233-R235 PolarHBondContact O-N 3.41Å; R233-H236 WeakPolarHBondContact O-CB 3.25Å; R233-H236 PolarHBondContact O-N 2.92Å
234	K	53.9	Low	55.4	Low	153 Å²	153	106.1 Å²	106.1	67%	0.665	55%	0.545	S	S	*	.	H	α-helix	trans	-62.9	-22.5	178.3	-77.6	-176.3	-179.3	176.2	0	113.4	S230 H236 S237	S230-K234 PolarHBondContact O-N 2.82Å; K234-H236 VanDerWaalsContact C-N 3.34Å; K234-S237 PolarHBondContact O-OG 3.17Å
235	R	46.6	Very low	52.3	Low	174 Å²	174	108 Å²	108	66%	0.657	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-18	173.4	-67.6	-176.1	-171.3	-174.3	2.9	113.3	S232 R233	S232-R235 PolarHBondContact O-N 3.32Å; R233-R235 PolarHBondContact O-N 3.41Å
236	H	46.2	Very low	49.3	Very low	111 Å²	111	114 Å²	114	51%	0.514	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	-13.6	173.6	-80.6	-76.3	0	0	0	113.5	S232 R233 K234 H238 S414	S232-H236 PolarHBondContact O-CD2 3.27Å; R233-H236 WeakPolarHBondContact O-CB 3.25Å; R233-H236 PolarHBondContact O-N 2.92Å; K234-H236 VanDerWaalsContact C-N 3.34Å; H236-H238 PolarHBondContact O-N 3.04Å; H236-S414 WeakPolarHBondContact CE1-CB 3.28Å; H236-S414 PolarHBondContact CE1-OG 3.46Å; H236-S414 PolarHBondContact NE2-OG 3.34Å
237	S	38.4	Very low	47	Very low	77 Å²	77	115.5 Å²	115.5	54%	0.538	61%	0.61	S	S	.	*			trans	-101.7	62.3	180	63.8	0	0	0	0	111.9	K234	K234-S237 PolarHBondContact O-OG 3.17Å
238	H	32.2	Very low	44.2	Very low	178 Å²	178	116.1 Å²	116.1	82%	0.824	63%	0.629	S	S	*	*			trans	-142.2	81.2	150.2	-115.5	-70	0	0	0	107.2	H236	H236-H238 PolarHBondContact O-N 3.04Å
239	P	41.7	Very low	41.3	Very low	97 Å²	97	120.6 Å²	120.6	63%	0.63	66%	0.661	S	S	*	*			trans	-73.8	145.2	155.2	26.2	-15.9	0	0	0	107.8
240	D	31.3	Very low	38.8	Very low	153 Å²	153	124.4 Å²	124.4	82%	0.818	69%	0.689	S	S	*	*			trans	86.3	74.3	178.2	-47.4	-28.1	0	0	0	116.1
241	D	28	Very low	36.2	Very low	150 Å²	150	127.9 Å²	127.9	80%	0.802	71%	0.708	S	S	*	*			trans	-151	76.7	130.7	-152.5	1.5	0	0	0	109.9	S243	D241-S243 VanDerWaalsContact C-N 3.34Å; D241-S243 PolarHBondContact O-N 3.08Å
242	L	28.3	Very low	34.1	Very low	185 Å²	185	131.5 Å²	131.5	97%	0.969	72%	0.722	S	S	*	*			trans	-85.1	80.6	162.6	-82.3	165.2	0	0	0	107.4
243	S	27.7	Very low	32.2	Very low	95 Å²	95	143.1 Å²	143.1	66%	0.664	76%	0.763	S	S	*	*			trans	-141.9	117.3	158.9	-159.2	0	0	0	0	111.2	D241 G245	D241-S243 VanDerWaalsContact C-N 3.34Å; D241-S243 PolarHBondContact O-N 3.08Å; S243-G245 PolarHBondContact O-N 3.47Å
244	I	23.8	Very low	30.6	Very low	177 Å²	177	142.4 Å²	142.4	91%	0.908	77%	0.769	S	S	*	*			trans	-64.3	121.5	170.6	-68.3	165.1	0	0	0	107.9
245	G	24.8	Very low	29.1	Very low	70 Å²	70	140 Å²	140	72%	0.722	78%	0.777	S	S	*	*			trans	172.8	91.8	174	0	0	0	0	0	113.2	S243	S243-G245 PolarHBondContact O-N 3.47Å
246	D	22.2	Very low	27.9	Very low	163 Å²	163	137.6 Å²	137.6	87%	0.872	78%	0.782	S	S	*	*			trans	-64.3	164.2	150.9	-94.6	-39.5	0	0	0	110.1
247	P	36.7	Very low	26.8	Very low	114 Å²	114	139 Å²	139	74%	0.74	80%	0.798	S	S	*	*			cis	-132.2	161.6	-12.1	36.1	-19.1	0	0	0	113.2
248	A	24.4	Very low	26.1	Very low	94 Å²	94	140.6 Å²	140.6	78%	0.777	81%	0.809	S	S	*	*			trans	160.3	121.4	135.3	0	0	0	0	0	111.9	P250	A248-P250 WeakPolarHBondContact O-CD 3.27Å
249	C	20.8	Very low	25.7	Very low	125 Å²	125	137.6 Å²	137.6	85%	0.845	81%	0.808	S	S	*	*			trans	-58.3	121.4	175.6	-134.2	0	0	0	0	112.5	V251	C249-V251 PolarHBondContact O-N 3.46Å
250	P	26.9	Very low	24.8	Very low	128 Å²	128	143.3 Å²	143.3	83%	0.831	82%	0.824	S	S	*	*			trans	-81.8	109.8	168.1	-7.8	25.5	0	0	0	110.3	A248	A248-P250 WeakPolarHBondContact O-CD 3.27Å
251	V	23	Very low	24.5	Very low	121 Å²	121	140.6 Å²	140.6	73%	0.733	82%	0.817	S	S	*	*			trans	-53.4	132.6	169.7	170.8	0	0	0	0	112.1	C249	C249-V251 PolarHBondContact O-N 3.46Å
252	K	22.3	Very low	24.2	Very low	188 Å²	188	142.4 Å²	142.4	82%	0.817	82%	0.818	S	S	*	*			trans	35.3	102.8	150.4	-60.7	172.1	-179.9	176	0	117.3
253	R	22.7	Very low	24.1	Very low	259 Å²	259	140.5 Å²	140.5	98%	0.977	81%	0.808	S	S	*	*			trans	-94	115.3	147.2	-83.4	-176.2	177.2	158.8	0.8	109.8
254	Q	21.8	Very low	23.8	Very low	179 Å²	179	143.8 Å²	143.8	84%	0.836	81%	0.813	S	S	*	*			trans	-57.8	135.7	176.1	-73	166.2	-24.6	0	0	110.7	T256	Q254-T256 PolarHBondContact O-N 3.41Å
255	A	22	Very low	23.7	Very low	102 Å²	102	142.1 Å²	142.1	84%	0.843	81%	0.805	S	S	*	*			trans	-66.3	99.5	168.9	0	0	0	0	0	108.9	T257	A255-T257 PolarHBondContact O-N 2.86Å
256	T	21.8	Very low	23.5	Very low	123 Å²	123	145.1 Å²	145.1	76%	0.755	80%	0.803	S	S	*	*			trans	-73.2	111.1	165.8	49.4	0	0	0	0	108.2	Q254 S258	Q254-T256 PolarHBondContact O-N 3.41Å; T256-S258 PolarHBondContact O-N 3.37Å
257	T	21.4	Very low	23.4	Very low	141 Å²	141	143.9 Å²	143.9	87%	0.865	80%	0.795	S	S	*	*			trans	-51.5	101.2	165.3	51.1	0	0	0	0	109.3	A255	A255-T257 PolarHBondContact O-N 2.86Å
258	S	24.8	Very low	22.6	Very low	110 Å²	110	144 Å²	144	77%	0.769	79%	0.793	S	S	*	*			trans	-106	107.6	165.2	49.1	0	0	0	0	108.2	T256	T256-S258 PolarHBondContact O-N 3.37Å
259	S	23.5	Very low	22.3	Very low	115 Å²	115	146.2 Å²	146.2	80%	0.804	79%	0.793	S	S	*	*			trans	-30.6	130	169.4	-48.2	0	0	0	0	114.2	S261	S259-S261 PolarHBondContact O-N 3.31Å
260	F	23.5	Very low	22.3	Very low	217 Å²	217	147.4 Å²	147.4	95%	0.952	79%	0.791	S	S	*	*			trans	-44.6	102	163.9	-88.2	-103.8	0	0	0	111.3	K262	F260-K262 PolarHBondContact O-N 2.91Å
261	S	23.7	Very low	22.1	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	79%	0.789	S	S	*	*			trans	-79.2	109.4	160.5	174.7	0	0	0	0	108	S259 N263	S259-S261 PolarHBondContact O-N 3.31Å; S261-N263 PolarHBondContact O-N 2.79Å
262	K	22.6	Very low	22	Very low	188 Å²	188	149.2 Å²	149.2	82%	0.817	79%	0.792	S	S	*	*			trans	-51	97.1	162.7	-86.9	170.6	166.8	172	0	109.2	F260 Q264	F260-K262 PolarHBondContact O-N 2.91Å; K262-Q264 PolarHBondContact O-N 3Å
263	N	25.1	Very low	22	Very low	144 Å²	144	147.6 Å²	147.6	77%	0.77	79%	0.792	S	S	*	*			trans	-79	88.2	157.7	-83.4	2.7	0	0	0	107.7	S261 I265	S261-N263 PolarHBondContact O-N 2.79Å; N263-I265 VanDerWaalsContact C-N 3.35Å; N263-I265 PolarHBondContact O-N 3.4Å
264	Q	21.2	Very low	21.8	Very low	164 Å²	164	139.6 Å²	139.6	77%	0.766	78%	0.775	S	S	*	*			trans	-65.1	93.2	168.4	-156	170.4	6.3	0	0	107.2	K262 I266	K262-Q264 PolarHBondContact O-N 3Å; Q264-I266 PolarHBondContact O-N 3.18Å; Q264-I266 VanDerWaalsContact O-N 3.07Å
265	I	22.9	Very low	21.7	Very low	143 Å²	143	142.8 Å²	142.8	73%	0.733	78%	0.78	S	S	*	*			trans	-74.2	98	168	-61.5	175.8	0	0	0	105.9	N263 I267	N263-I265 VanDerWaalsContact C-N 3.35Å; N263-I265 PolarHBondContact O-N 3.4Å; I265-I267 HydrophobicContact CG2-CG1 4.06Å; I265-I267 PolarHBondContact O-N 3.49Å; I265-I267 VanDerWaalsContact O-N 3.11Å
266	I	19.5	Very low	21.5	Very low	132 Å²	132	143 Å²	143	68%	0.677	78%	0.776	S	S	*	*			trans	-68.9	101.4	168.1	-61.8	174.1	0	0	0	106	Q264 T268	Q264-I266 PolarHBondContact O-N 3.18Å; Q264-I266 VanDerWaalsContact O-N 3.07Å; I266-T268 HydrophobicContact CG2-CG2 4.04Å; I266-T268 PolarHBondContact O-N 2.86Å
267	I	20.8	Very low	21.5	Very low	137 Å²	137	142 Å²	142	70%	0.703	77%	0.774	S	S	*	*			trans	-80.2	96.6	167.2	-55.7	177.9	0	0	0	105.6	I265 N269	I265-I267 HydrophobicContact CG2-CG1 4.06Å; I265-I267 PolarHBondContact O-N 3.49Å; I265-I267 VanDerWaalsContact O-N 3.11Å; I267-N269 PolarHBondContact O-N 3.45Å
268	T	20.3	Very low	21.5	Very low	116 Å²	116	143.1 Å²	143.1	71%	0.712	77%	0.773	S	S	*	*			trans	-69.2	109.6	163.2	47.2	0	0	0	0	107.6	I266 D270	I266-T268 HydrophobicContact CG2-CG2 4.04Å; I266-T268 PolarHBondContact O-N 2.86Å; T268-D270 PolarHBondContact O-N 3.38Å
269	N	18.6	Very low	21.2	Very low	142 Å²	142	145.1 Å²	145.1	76%	0.759	78%	0.775	S	S	*	*			trans	-57.7	116.9	157.5	-71.4	-30.7	0	0	0	107.3	I267	I267-N269 PolarHBondContact O-N 3.45Å
270	D	21.2	Very low	21	Very low	150 Å²	150	145.3 Å²	145.3	80%	0.802	77%	0.771	S	S	*	*			trans	-158.5	126.4	147	-91	-33.3	0	0	0	111.8	T268	T268-D270 PolarHBondContact O-N 3.38Å
271	C	22.6	Very low	20.9	Very low	117 Å²	117	144.7 Å²	144.7	79%	0.791	77%	0.768	S	S	*	*			trans	52.2	109.6	152.7	66.1	0	0	0	0	121.7
272	E	19.1	Very low	20.7	Very low	170 Å²	170	146.7 Å²	146.7	79%	0.794	78%	0.776	S	S	*	*				-6	143.4	127.6	-65.7	-178.7	149	0	0	118.8
273	N	22.7	Very low	20.6	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	78%	0.777	S	S	*	*			trans	65.8	88.7	150.2	-64.4	-21.3	0	0	0	118.4
274	S	19.5	Very low	20.3	Very low	91 Å²	91	142 Å²	142	64%	0.636	78%	0.775	S	S	*	*			trans	-171.1	93.9	130.8	-165.2	0	0	0	0	111.5
275	W	20	Very low	20.1	Very low	246 Å²	246	140.7 Å²	140.7	93%	0.932	78%	0.783	S	S	*	*			trans	-124.2	68.4	157.5	-80.2	64.3	0	0	0	108.1	L278	W275-L278 HydrophobicContact CZ3-CD1 4.28Å
276	S	18	Very low	20.1	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	79%	0.787	S	S	*	*			trans	-132	66.9	159.9	36.7	0	0	0	0	109.2
277	S	20.5	Very low	20.6	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	79%	0.787	S	S	*	*			trans	-168	75.5	159.6	63.8	0	0	0	0	111.7
278	L	21.3	Very low	20.5	Very low	164 Å²	164	138.6 Å²	138.6	86%	0.859	79%	0.791	S	S	*	*			trans	-122.1	73.1	151	-89.4	163	0	0	0	107.3	W275	W275-L278 HydrophobicContact CZ3-CD1 4.28Å
279	L	18.9	Very low	20.6	Very low	152 Å²	152	139.2 Å²	139.2	80%	0.796	80%	0.795	S	S	*	*			trans	-86.4	151.8	162.8	-105.7	156.1	0	0	0	108.8
280	T	20.1	Very low	20.6	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.724	80%	0.797	S	S	*	*			trans	91.4	96.6	164.3	75.5	0	0	0	0	117.1
281	K	20.6	Very low	20.5	Very low	205 Å²	205	140.7 Å²	140.7	89%	0.891	80%	0.797	S	S	*	*				178.9	88.3	104.7	-91.3	170.5	-175.1	-178	0	109.5
282	T	18.6	Very low	20.3	Very low	138 Å²	138	140.5 Å²	140.5	85%	0.847	80%	0.797	S	S	*	*			trans	-108.9	125.9	155.1	38.4	0	0	0	0	107.5
283	P	21.2	Very low	20.2	Very low	128 Å²	128	142.7 Å²	142.7	83%	0.831	80%	0.804	S	S	*	*			trans	-73.8	136.9	175.5	22.9	-20.2	0	0	0	110.5
284	S	18	Very low	20	Very low	106 Å²	106	138.6 Å²	138.6	74%	0.741	80%	0.798	S	S	*	*			trans	-55	129.6	175.1	50	0	0	0	0	113.8
285	C	18.1	Very low	20	Very low	137 Å²	137	143.1 Å²	143.1	93%	0.926	81%	0.809	S	S	*	*			trans	-138.3	131	142.7	-96	0	0	0	0	109.1
286	S	21.6	Very low	19.9	Very low	118 Å²	118	141.8 Å²	141.8	83%	0.825	81%	0.805	S	S	*	*			trans	-78.9	169.9	-167.7	-74	0	0	0	0	114.1
287	P	30.4	Very low	19.9	Very low	105 Å²	105	142 Å²	142	68%	0.682	81%	0.807	S	S	*	*			trans	-98	160.3	-156.1	38	-31.5	0	0	0	113
288	N	19.9	Very low	20	Very low	144 Å²	144	146.1 Å²	146.1	77%	0.77	82%	0.815	S	S	*	*				169	148.2	125.6	-84.5	-21.6	0	0	0	113.4
289	T	21.9	Very low	20	Very low	130 Å²	130	143.5 Å²	143.5	80%	0.798	81%	0.808	S	S	*	*			trans	76.7	99.3	151.6	23.5	0	0	0	0	120.6
290	E	17.8	Very low	20.1	Very low	171 Å²	171	144.1 Å²	144.1	80%	0.799	81%	0.812	S	S	*	*				0.5	140.4	128	-62.3	-179.4	162.1	0	0	119.6
291	N	19.4	Very low	20.3	Very low	151 Å²	151	146.5 Å²	146.5	81%	0.807	82%	0.819	S	S	*	*			trans	78.5	126.2	147.8	-72.3	-23.5	0	0	0	121
292	S	19.5	Very low	20.3	Very low	113 Å²	113	142.5 Å²	142.5	79%	0.79	81%	0.812	S	S	*	*			trans	114.5	120.7	147.2	98.1	0	0	0	0	116.8
293	F	17.2	Very low	20.5	Very low	216 Å²	216	140.7 Å²	140.7	95%	0.947	80%	0.804	S	S	*	*			trans	-21.4	126.3	158.2	-77.5	-101.1	0	0	0	115.7
294	G	18.6	Very low	20.6	Very low	67 Å²	67	141 Å²	141	69%	0.691	80%	0.803	S	S	*	*			trans	-166.6	108.1	166.7	0	0	0	0	0	111	Y296	G294-Y296 PolarHBondContact O-N 2.92Å
295	H	18	Very low	20.8	Very low	186 Å²	186	146.4 Å²	146.4	86%	0.861	81%	0.808	S	S	*	*			trans	-53.6	117.7	168.7	-81.3	-97	0	0	0	111.3
296	Y	18.4	Very low	21.1	Very low	218 Å²	218	149 Å²	149	86%	0.855	80%	0.804	S	S	*	*			trans	-143.4	108.3	155.9	-84.5	-76.1	0	0	0	111.2	G294	G294-Y296 PolarHBondContact O-N 2.92Å
297	S	18.9	Very low	21.3	Very low	113 Å²	113	150.9 Å²	150.9	79%	0.79	80%	0.804	S	S	*	*			trans	14.4	102.6	144.1	-23.3	0	0	0	0	117.7
298	E	21.7	Very low	21	Very low	189 Å²	189	153.2 Å²	153.2	88%	0.883	81%	0.809	S	S	*	*			trans	-74.1	128.9	162.6	-163.4	170.8	-171.2	0	0	109.2
299	P	22	Very low	21.2	Very low	109 Å²	109	153.5 Å²	153.5	71%	0.708	81%	0.809	S	S	*	*			trans	-72.2	137.8	-171.2	27	-32.3	0	0	0	111.9	L301	P299-L301 PolarHBondContact O-N 3.04Å
300	N	20.8	Very low	21.3	Very low	165 Å²	165	152.1 Å²	152.1	88%	0.882	80%	0.803	S	S	*	*			trans	-22.1	83.9	169.5	-68.1	-42.9	0	0	0	115.3	V302	N300-V302 PolarHBondContact O-N 3.25Å
301	L	23	Very low	21.6	Very low	168 Å²	168	153.6 Å²	153.6	88%	0.88	81%	0.806	S	S	*	*			trans	-81.6	100.5	164.1	-151.5	106.4	0	0	0	106.8	P299 S303	P299-L301 PolarHBondContact O-N 3.04Å; L301-S303 PolarHBondContact O-N 2.89Å; L301-S303 VanDerWaalsContact O-N 3.09Å
302	V	22.2	Very low	21.8	Very low	121 Å²	121	152 Å²	152	73%	0.733	81%	0.806	S	S	*	*			trans	-44.6	119.5	172.1	174.8	0	0	0	0	108.5	N300 V304	N300-V302 PolarHBondContact O-N 3.25Å; V302-V304 VanDerWaalsContact C-N 3.35Å; V302-V304 PolarHBondContact O-N 3.23Å
303	S	21.8	Very low	22.1	Very low	99 Å²	99	155.3 Å²	155.3	69%	0.692	81%	0.806	S	S	*	*			trans	-60.4	95.5	178.2	52.9	0	0	0	0	109.2	L301 R305	L301-S303 PolarHBondContact O-N 2.89Å; L301-S303 VanDerWaalsContact O-N 3.09Å; S303-R305 PolarHBondContact O-N 3.17Å
304	V	23.2	Very low	22.5	Very low	134 Å²	134	150.6 Å²	150.6	81%	0.812	80%	0.8	S	S	*	*			trans	-64.3	95.9	157.8	179.5	0	0	0	0	104.7	V302 K306	V302-V304 VanDerWaalsContact C-N 3.35Å; V302-V304 PolarHBondContact O-N 3.23Å; V304-K306 PolarHBondContact O-N 3.31Å
305	R	22.1	Very low	22.8	Very low	221 Å²	221	156.7 Å²	156.7	83%	0.834	81%	0.808	S	S	*	*			trans	-43.7	105.6	170.8	-75.9	178	175.5	172.7	-1.6	106.5	S303 N307	S303-R305 PolarHBondContact O-N 3.17Å; R305-N307 PolarHBondContact O-N 3.4Å
306	K	24.8	Very low	23.2	Very low	192 Å²	192	151.4 Å²	151.4	84%	0.835	80%	0.804	S	S	*	*			trans	-47.4	113.4	165.1	-78.1	174.8	176.1	170.8	0	105.1	V304 I308	V304-K306 PolarHBondContact O-N 3.31Å; K306-I308 PolarHBondContact O-N 3.33Å
307	N	25	Very low	23.5	Very low	156 Å²	156	144.2 Å²	144.2	83%	0.834	80%	0.795	S	S	*	*			trans	-45.5	113.8	173.9	-88.5	-22.4	0	0	0	106.9	R305 I309	R305-N307 PolarHBondContact O-N 3.4Å; N307-I309 PolarHBondContact O-N 3.1Å
308	I	24.7	Very low	24	Very low	154 Å²	154	147.2 Å²	147.2	79%	0.79	80%	0.802	S	S	*	*			trans	-55.7	107.5	176	-69	165.8	0	0	0	104.6	K306 P310	K306-I308 PolarHBondContact O-N 3.33Å; I308-P310 WeakPolarHBondContact O-CD 3.44Å
309	I	25.4	Very low	24.4	Very low	150 Å²	150	145.5 Å²	145.5	77%	0.769	80%	0.798	S	S	*	*			trans	-52.5	115	164.2	-62.2	168.6	0	0	0	104.6	N307 K311	N307-I309 PolarHBondContact O-N 3.1Å; I309-K311 PolarHBondContact O-N 3.04Å
310	P	23.8	Very low	24.7	Very low	102 Å²	102	144.7 Å²	144.7	66%	0.662	81%	0.81	S	S	*	*			trans	-60.1	116.5	177.5	-18.1	30.2	0	0	0	106.8	I308 C312	I308-P310 WeakPolarHBondContact O-CD 3.44Å; P310-C312 PolarHBondContact O-N 2.94Å
311	K	22.2	Very low	24.9	Very low	202 Å²	202	139.7 Å²	139.7	88%	0.878	80%	0.797	S	S	*	*			trans	-62.5	85	163.5	-80.4	179.5	176.5	174.9	0	106.4	I309 K313	I309-K311 PolarHBondContact O-N 3.04Å; K311-K313 PolarHBondContact O-N 3.25Å
312	C	24.9	Very low	25.1	Very low	118 Å²	118	140.2 Å²	140.2	80%	0.797	80%	0.795	S	S	*	*			trans	-60.4	105.8	163.5	-75.1	0	0	0	0	106.3	P310 S314	P310-C312 PolarHBondContact O-N 2.94Å; C312-S314 PolarHBondContact O-N 3.15Å; C312-S314 VanDerWaalsContact O-N 3.16Å
313	K	24.8	Very low	25.5	Very low	182 Å²	182	140 Å²	140	79%	0.791	80%	0.798	S	S	*	*			trans	-56.8	118.2	170.1	-72.8	178.6	176.4	178	0	106.9	K311 F315	K311-K313 PolarHBondContact O-N 3.25Å; K313-F315 PolarHBondContact O-N 3.03Å
314	S	25.5	Very low	25.7	Very low	117 Å²	117	140 Å²	140	82%	0.818	80%	0.796	S	S	*	*			trans	-52.7	95.1	170.9	169.9	0	0	0	0	110.1	C312	C312-S314 PolarHBondContact O-N 3.15Å; C312-S314 VanDerWaalsContact O-N 3.16Å
315	F	26.6	Very low	25.8	Very low	195 Å²	195	142.6 Å²	142.6	86%	0.855	80%	0.796	S	S	*	*			trans	-90.4	123.6	153.7	-84.8	-82.1	0	0	0	107.3	K313	K313-F315 PolarHBondContact O-N 3.03Å
316	G	24.5	Very low	26	Very low	75 Å²	75	141 Å²	141	77%	0.773	80%	0.795	S	S	*	*			trans	-73.6	174.3	-171	0	0	0	0	0	114.6
317	G	25.4	Very low	25.9	Very low	66 Å²	66	136.9 Å²	136.9	68%	0.68	79%	0.786	S	S	*	*			trans	166.4	107.5	168.4	0	0	0	0	0	110.1	N319	G317-N319 PolarHBondContact O-N 3.18Å
318	L	29.8	Very low	26.1	Very low	177 Å²	177	137.6 Å²	137.6	93%	0.927	78%	0.778	S	S	*	*	S	Bend	trans	-67.8	74.7	172.8	-75.1	163.7	0	0	0	109.8
319	N	30.2	Very low	25.9	Very low	152 Å²	152	137.4 Å²	137.4	81%	0.813	78%	0.779	S	S	*	*	S	Bend	trans	-159.2	131.1	166.5	-80.3	-47.4	0	0	0	106.4	G317 G321	G317-N319 PolarHBondContact O-N 3.18Å; N319-G321 PolarHBondContact O-N 3.34Å
320	G	27.9	Very low	25.8	Very low	93 Å²	93	135.3 Å²	135.3	96%	0.959	78%	0.777	S	S	*	*			trans	-67.7	55.1	177	0	0	0	0	0	113.1	Q322	G320-Q322 PolarHBondContact O-N 3.49Å
321	G	25.3	Very low	25.8	Very low	59 Å²	59	140.7 Å²	140.7	61%	0.608	79%	0.785	S	S	*	*			trans	-70.2	118.2	176.4	0	0	0	0	0	109.9	N319	N319-G321 PolarHBondContact O-N 3.34Å
322	Q	27.5	Very low	25.8	Very low	179 Å²	179	139.9 Å²	139.9	84%	0.836	78%	0.784	S	S	*	*			trans	53.1	107.1	168.1	-83.5	142.3	-15.3	0	0	115.5	G320 P324	G320-Q322 PolarHBondContact O-N 3.49Å; Q322-P324 WeakPolarHBondContact O-CD 3.39Å; Q322-P324 VanDerWaalsContact O-N 3.11Å
323	C	29.2	Very low	25.7	Very low	116 Å²	116	143.7 Å²	143.7	78%	0.784	79%	0.791	S	S	*	*			trans	-44.9	122.6	138.4	-104.2	0	0	0	0	106.1	K325	C323-K325 VanDerWaalsContact C-N 3.31Å; C323-K325 PolarHBondContact O-N 3.48Å
324	P	26.6	Very low	25.7	Very low	101 Å²	101	140.3 Å²	140.3	66%	0.656	79%	0.79	S	S	*	*			trans	-54.9	109.6	166.4	-14.7	26.7	0	0	0	104.3	Q322 F326	Q322-P324 WeakPolarHBondContact O-CD 3.39Å; Q322-P324 VanDerWaalsContact O-N 3.11Å; P324-F326 PolarHBondContact O-N 3.12Å
325	K	26.3	Very low	26.4	Very low	188 Å²	188	140.6 Å²	140.6	82%	0.817	79%	0.789	S	S	*	*			trans	-53	110.3	153.5	-80.9	-177.9	175	175.1	0	102.3	C323 V327	C323-K325 VanDerWaalsContact C-N 3.31Å; C323-K325 PolarHBondContact O-N 3.48Å; K325-V327 HydrophobicContact CB-CG2 4.41Å; K325-V327 PolarHBondContact O-N 2.94Å
326	F	25.3	Very low	26.3	Very low	187 Å²	187	135.3 Å²	135.3	82%	0.82	78%	0.781	S	S	*	*			trans	-59.4	89.7	161	-83.6	-89.6	0	0	0	104	P324 Y328	P324-F326 PolarHBondContact O-N 3.12Å; F326-Y328 VanDerWaalsContact C-N 3.26Å; F326-Y328 PolarHBondContact O-N 3.41Å
327	V	23.7	Very low	26.4	Very low	105 Å²	105	137.1 Å²	137.1	64%	0.636	78%	0.782	S	S	*	*			trans	-64.7	103.8	165.1	178.6	0	0	0	0	102.2	K325 D329	K325-V327 HydrophobicContact CB-CG2 4.41Å; K325-V327 PolarHBondContact O-N 2.94Å; V327-D329 PolarHBondContact O-N 3Å
328	Y	28	Very low	26.5	Very low	171 Å²	171	139 Å²	139	67%	0.671	79%	0.785	S	S	*	*			trans	-58.1	99.1	158.2	-78.4	-86.1	0	0	0	105.2	F326 C330	F326-Y328 VanDerWaalsContact C-N 3.26Å; F326-Y328 PolarHBondContact O-N 3.41Å; Y328-C330 PolarHBondContact O-N 3.24Å
329	D	21.4	Very low	26.4	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	78%	0.783	S	S	*	*			trans	-67	75.2	158.3	-84.4	-23.4	0	0	0	106.7	V327 Y331	V327-D329 PolarHBondContact O-N 3Å; D329-Y331 VanDerWaalsContact C-N 3.29Å
330	C	23.3	Very low	26.4	Very low	106 Å²	106	138 Å²	138	72%	0.716	78%	0.784	S	S	*	*			trans	-101.8	50.2	167.4	-158.8	0	0	0	0	107.9	Y328	Y328-C330 PolarHBondContact O-N 3.24Å
331	Y	22.8	Very low	26.4	Very low	215 Å²	215	139.4 Å²	139.4	84%	0.843	77%	0.77	S	S	*	*			trans	-143.4	80.8	170.3	-80.8	-78.2	0	0	0	108.6	D329	D329-Y331 VanDerWaalsContact C-N 3.29Å
332	Q	22.2	Very low	27.2	Very low	184 Å²	184	141.4 Å²	141.4	86%	0.86	77%	0.772	S	S	*	*			trans	176.3	92.3	144.5	-98.6	171.7	27.2	0	0	106.7
333	Q	24.2	Very low	27.3	Very low	199 Å²	199	140.7 Å²	140.7	93%	0.93	77%	0.769	S	S	*	*			trans	-171.5	102	143.8	-102.4	157.7	40.8	0	0	110.1
334	S	23	Very low	28	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	77%	0.77	S	S	*	*			trans	-78.6	169	143.5	58	0	0	0	0	108.7
335	P	42.2	Very low	29.2	Very low	123 Å²	123	142 Å²	142	80%	0.799	78%	0.775	S	S	*	*				-119.4	177.7	-86.7	33.1	-16.2	0	0	0	112.4
336	A	24.3	Very low	31.5	Very low	85 Å²	85	138.6 Å²	138.6	70%	0.702	78%	0.775	S	S	*	*			trans	115.6	106.7	158.7	0	0	0	0	0	116
337	S	26.1	Very low	34	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	76%	0.762	S	S	*	*			trans	21.1	104.2	136.8	58.1	0	0	0	0	117.9
338	S	27	Very low	36.9	Very low	107 Å²	107	132 Å²	132	75%	0.748	75%	0.746	S	S	*	*				169.1	140.4	128.8	49.5	0	0	0	0	110.4
339	L	28.7	Very low	39.9	Very low	167 Å²	167	125 Å²	125	87%	0.874	72%	0.723	S	S	*	*			trans	73.2	67.3	168.5	-49.2	177.5	0	0	0	117.1	N341	L339-N341 PolarHBondContact O-N 2.91Å; L339-N341 VanDerWaalsContact O-N 3.11Å
340	V	29.1	Very low	43.4	Very low	139 Å²	139	117.8 Å²	117.8	84%	0.842	68%	0.684	S	S	*	*			trans	-68.4	102.5	149.9	178.6	0	0	0	0	107.2	P342	V340-P342 VanDerWaalsContact O-CD 3.31Å; V340-P342 WeakPolarHBondContact O-CD 3.17Å
341	N	27.8	Very low	46.8	Very low	124 Å²	124	112.8 Å²	112.8	66%	0.663	65%	0.65	S	S	*	*			trans	-71.4	114.7	169.4	-157.1	-3.4	0	0	0	107.9	L339 Q343	L339-N341 PolarHBondContact O-N 2.91Å; L339-N341 VanDerWaalsContact O-N 3.11Å; N341-Q343 PolarHBondContact O-N 3.39Å
342	P	42.1	Very low	50.3	Low	101 Å²	101	107.3 Å²	107.3	66%	0.656	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	0.6	-169.6	-17.9	31.1	0	0	0	115.5	V340 V344	V340-P342 VanDerWaalsContact O-CD 3.31Å; V340-P342 WeakPolarHBondContact O-CD 3.17Å; P342-V344 PolarHBondContact O-N 3.37Å
343	Q	30.6	Very low	53.8	Low	163 Å²	163	100.4 Å²	100.4	76%	0.762	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	14.7	-171.5	-63.7	-63.5	-37.8	0	0	114.6	N341	N341-Q343 PolarHBondContact O-N 3.39Å
344	V	42.9	Very low	57.3	Low	135 Å²	135	91 Å²	91	82%	0.818	56%	0.556	S	S	*	*			trans	-118.9	74.5	173.6	-168.8	0	0	0	0	110.7	P342	P342-V344 PolarHBondContact O-N 3.37Å
345	S	53	Low	60.7	Low	109 Å²	109	86 Å²	86	76%	0.762	52%	0.521	S	S	*	.			trans	-160.5	55.9	155.8	53	0	0	0	0	111.3
346	S	73.8	Confident	63.3	Low	117 Å²	117	83.7 Å²	83.7	82%	0.818	50%	0.502	S	S	*	.			trans	-87.5	-1.3	176	61.8	0	0	0	0	114.3
347	I	77.5	Confident	66.7	Low	105 Å²	105	80.3 Å²	80.3	54%	0.538	47%	0.472	S	S	.	.	S	Bend	trans	-84.7	121.1	178.5	-58.5	175.7	0	0	0	108.1	A380 T381	I347-A380 HydrophobicContact CG2-CB 4.12Å; I347-T381 HydrophobicContact CG2-CG2 3.76Å
348	P	85.2	Confident	69.9	Low	48 Å²	48	75 Å²	75	31%	0.312	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-62.2	138.8	177.4	27.7	-36	0	0	0	110.4	L350 A377	P348-L350 PolarHBondContact O-N 2.98Å; P348-A377 HydrophobicContact CB-CB 4.09Å; P348-A377 HydrophobicContact CG-CB 3.67Å
349	S	91.7	Very high	73.1	Confident	25 Å²	25	73.7 Å²	73.7	18%	0.175	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-69.4	127	175.9	171.1	0	0	0	0	110.1	Y351 E352 E353 E407	S349-Y351 VanDerWaalsContact C-N 3.27Å; S349-Y351 PolarHBondContact O-N 3.2Å; S349-Y351 PolarHBondContact OG-N 3.43Å; S349-E352 PolarHBondContact O-N 2.88Å; S349-E352 PolarHBondContact OG-N 2.89Å; S349-E353 PolarHBondContact O-N 2.79Å; S349-E407 PolarHBondContact OG-OE2 3.04Å
350	L	94.3	Very high	76.1	Confident	0 Å²	0	68 Å²	68	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-64.7	-37.2	176	-172.1	61.1	0	0	0	110.9	P348 I354 L374 A377 V378 L400 R403 L404 E407	P348-L350 PolarHBondContact O-N 2.98Å; L350-I354 HydrophobicContact CG-CD1 4.34Å; L350-I354 VanDerWaalsContact O-CG1 3.32Å; L350-I354 WeakPolarHBondContact O-CG1 3.41Å; L350-I354 PolarHBondContact O-N 2.89Å; L350-I354 VanDerWaalsContact O-N 3.11Å; L350-L374 HydrophobicContact CD1-CD1 3.63Å; L350-A377 HydrophobicContact CD1-CB 4.38Å; L350-V378 HydrophobicContact CD1-CG2 3.69Å; L350-L400 HydrophobicContact CD1-CD1 4.3Å; L350-L400 HydrophobicContact CD2-CD1 3.62Å; L350-L400 HydrophobicContact CG-CD1 4.1Å; L350-R403 HydrophobicContact CD2-CB 4.08Å; L350-R403 HydrophobicContact CD2-CG 3.59Å; L350-L404 HydrophobicContact CB-CD2 4.36Å; L350-L404 HydrophobicContact CD2-CD2 4.41Å; L350-L404 HydrophobicContact CD2-CG 4.5Å; L350-L404 HydrophobicContact CG-CD2 4.12Å; L350-E407 WeakPolarHBondContact CB-OE1 3.47Å; L350-E407 PolarHBondContact N-OE1 3.42Å; L350-E407 PolarHBondContact N-OE2 3.23Å; L350-E407 VanDerWaalsContact N-OE2 3.09Å
351	Y	95.2	Very high	79.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-47	176.2	-173.3	-82.1	0	0	0	112.2	Y219 I220 H223 L225 I228 S349 I354 N355 L404 E407 L408 F421	Y219-Y351 HydrophobicContact CE1-CE2 4.24Å; Y219-Y351 WeakPolarHBondContact CE1-OH 3.24Å; I220-Y351 HydrophobicContact CD1-CD2 3.97Å; I220-Y351 HydrophobicContact CD1-CE2 3.32Å; H223-Y351 WeakPolarHBondContact O-CE1 3.44Å; H223-Y351 PolarHBondContact O-OH 3.49Å; L225-Y351 HydrophobicContact CB-CD1 4.08Å; L225-Y351 HydrophobicContact CB-CE1 4.5Å; L225-Y351 HydrophobicContact CD1-CD1 4.29Å; I228-Y351 HydrophobicContact CD1-CE1 4.01Å; I228-Y351 HydrophobicContact CD1-CE2 4.28Å; I228-Y351 WeakPolarHBondContact CD1-OH 3.21Å; S349-Y351 VanDerWaalsContact C-N 3.27Å; S349-Y351 PolarHBondContact O-N 3.2Å; S349-Y351 PolarHBondContact OG-N 3.43Å; Y351-I354 PolarHBondContact O-N 3.12Å; Y351-N355 HydrophobicContact CE1-CB 4.46Å; Y351-N355 WeakPolarHBondContact O-CB 3.47Å; Y351-N355 PolarHBondContact O-N 3.09Å; Y351-L404 HydrophobicContact CD2-CD2 4.25Å; Y351-E407 PolarHBondContact N-OE2 2.84Å; Y351-L408 HydrophobicContact CD2-CD2 4.18Å; Y351-L408 HydrophobicContact CD2-CG 4.48Å; Y351-L408 HydrophobicContact CE2-CD1 4.35Å; Y351-L408 HydrophobicContact CE2-CD2 4.19Å; Y351-F421 HydrophobicContact CE2-CE1 4.23Å; Y351-F421 HydrophobicContact CE2-CZ 4.36Å
352	E	94.7	Very high	82.1	Confident	101 Å²	101	58.8 Å²	58.8	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-40.6	-178.2	-170.7	168.2	-169.8	0	0	111.9	S349 I354 N355 N356	S349-E352 PolarHBondContact O-N 2.88Å; S349-E352 PolarHBondContact OG-N 2.89Å; E352-I354 PolarHBondContact O-N 3.24Å; E352-N355 WeakPolarHBondContact O-CB 3.49Å; E352-N355 PolarHBondContact O-N 3.25Å; E352-N356 WeakPolarHBondContact O-CB 3.06Å; E352-N356 VanDerWaalsContact O-CG 3.23Å; E352-N356 PolarHBondContact O-N 3.28Å; E352-N356 PolarHBondContact O-ND2 2.7Å
353	E	96.7	Very high	84.2	Confident	39 Å²	39	56.1 Å²	56.1	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-39.6	175.3	-70	-62.2	162.3	0	0	112.6	S349 L357 N373 L374 A377	S349-E353 PolarHBondContact O-N 2.79Å; E353-L357 WeakPolarHBondContact O-CB 3.5Å; E353-L357 PolarHBondContact O-N 3.19Å; E353-N373 WeakPolarHBondContact OE2-CB 3.34Å; E353-L374 HydrophobicContact CB-CB 4.26Å; E353-L374 HydrophobicContact CB-CD1 3.76Å; E353-A377 HydrophobicContact CB-CB 4.48Å; E353-A377 HydrophobicContact CG-CB 3.92Å
354	I	96.8	Very high	86.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-42.3	174.8	-66.5	176.2	0	0	0	111	I220 L350 Y351 E352 L357 F358 L374 L400 L404	I220-I354 HydrophobicContact CG2-CG2 4.09Å; L350-I354 HydrophobicContact CG-CD1 4.34Å; L350-I354 VanDerWaalsContact O-CG1 3.32Å; L350-I354 WeakPolarHBondContact O-CG1 3.41Å; L350-I354 PolarHBondContact O-N 2.89Å; L350-I354 VanDerWaalsContact O-N 3.11Å; Y351-I354 PolarHBondContact O-N 3.12Å; E352-I354 PolarHBondContact O-N 3.24Å; I354-L357 PolarHBondContact O-N 3.25Å; I354-F358 HydrophobicContact CG2-CD1 4.09Å; I354-F358 HydrophobicContact CG2-CD2 4.4Å; I354-F358 HydrophobicContact CG2-CE1 3.91Å; I354-F358 HydrophobicContact CG2-CE2 4.23Å; I354-F358 HydrophobicContact CG2-CG 4.34Å; I354-F358 HydrophobicContact CG2-CZ 3.98Å; I354-F358 WeakPolarHBondContact O-CB 3.31Å; I354-F358 WeakPolarHBondContact O-CG 3.44Å; I354-F358 PolarHBondContact O-N 3.46Å; I354-L374 HydrophobicContact CG1-CD1 3.67Å; I354-L374 HydrophobicContact CG1-CD2 4.23Å; I354-L400 HydrophobicContact CD1-CD1 3.87Å; I354-L404 HydrophobicContact CD1-CD1 3.73Å; I354-L404 HydrophobicContact CD1-CD2 3.85Å; I354-L404 HydrophobicContact CD1-CG 4.25Å
355	N	95.5	Very high	88.7	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-56.5	-51.2	175.6	-176.9	-72.5	0	0	0	111.1	I220 H223 Y351 E352 F358 K359	I220-N355 HydrophobicContact CG2-CB 4.27Å; I220-N355 PolarHBondContact O-ND2 2.9Å; H223-N355 PolarHBondContact O-ND2 2.91Å; Y351-N355 HydrophobicContact CE1-CB 4.46Å; Y351-N355 WeakPolarHBondContact O-CB 3.47Å; Y351-N355 PolarHBondContact O-N 3.09Å; E352-N355 WeakPolarHBondContact O-CB 3.49Å; E352-N355 PolarHBondContact O-N 3.25Å; N355-F358 PolarHBondContact O-N 3.36Å; N355-K359 WeakPolarHBondContact O-CG 3.46Å; N355-K359 PolarHBondContact O-N 2.9Å; N355-K359 VanDerWaalsContact O-N 3.08Å; N355-K359 WeakPolarHBondContact OD1-CE 3.3Å; N355-K359 PolarHBondContact OD1-NZ 2.87Å
356	N	95.4	Very high	90.3	Very high	76 Å²	76	50.9 Å²	50.9	41%	0.406	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-43.7	179	-70.9	-25.6	0	0	0	111.7	E352 K359 L360	E352-N356 WeakPolarHBondContact O-CB 3.06Å; E352-N356 VanDerWaalsContact O-CG 3.23Å; E352-N356 PolarHBondContact O-N 3.28Å; E352-N356 PolarHBondContact O-ND2 2.7Å; N356-K359 PolarHBondContact O-N 3.32Å; N356-L360 WeakPolarHBondContact O-CB 3.4Å; N356-L360 PolarHBondContact O-N 2.9Å
357	L	96	Very high	91	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-45.8	177.8	-179.2	61.8	0	0	0	111.4	L194 L207 E353 I354 K359 L360 L361 V369 P371 L374	L194-L357 HydrophobicContact CD2-CD1 4.19Å; L194-L357 HydrophobicContact CD2-CD2 4.47Å; L207-L357 HydrophobicContact CD1-CD2 4Å; E353-L357 WeakPolarHBondContact O-CB 3.5Å; E353-L357 PolarHBondContact O-N 3.19Å; I354-L357 PolarHBondContact O-N 3.25Å; L357-K359 PolarHBondContact O-N 3.5Å; L357-L360 WeakPolarHBondContact O-CB 3.37Å; L357-L360 PolarHBondContact O-N 3.28Å; L357-L361 HydrophobicContact CD1-CD1 4.09Å; L357-L361 HydrophobicContact CD1-CD2 4.4Å; L357-L361 HydrophobicContact CD1-CG 4.03Å; L357-L361 HydrophobicContact CD2-CD1 4.34Å; L357-L361 HydrophobicContact CG-CD1 3.79Å; L357-L361 HydrophobicContact CG-CG 4.18Å; L357-L361 VanDerWaalsContact O-CG 3.24Å; L357-L361 WeakPolarHBondContact O-CG 3.4Å; L357-L361 PolarHBondContact O-N 2.8Å; L357-V369 HydrophobicContact CD1-CG1 3.69Å; L357-P371 HydrophobicContact CD2-CB 4.16Å; L357-L374 HydrophobicContact CD2-CD2 3.43Å; L357-L374 VanDerWaalsContact CD2-CD2 3.43Å
358	F	94.9	Very high	91.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-43.3	-179.7	-80.1	17.2	0	0	0	111.2	L207 L210 R211 F216 I220 M221 I354 N355 L360 L361 W362	L207-F358 HydrophobicContact CD2-CE1 4.44Å; L210-F358 HydrophobicContact CB-CZ 4Å; R211-F358 HydrophobicContact CB-CD1 4.1Å; R211-F358 HydrophobicContact CB-CD2 4.22Å; R211-F358 HydrophobicContact CB-CE1 3.8Å; R211-F358 HydrophobicContact CB-CE2 3.93Å; R211-F358 HydrophobicContact CB-CG 4.3Å; R211-F358 HydrophobicContact CB-CZ 3.71Å; F216-F358 AromaticContact CD1-CE2 3.97Å; F216-F358 HydrophobicContact CD1-CE2 3.97Å; F216-F358 HydrophobicContact CD1-CZ 4.45Å; F216-F358 AromaticContact CE1-CE2 3.75Å; F216-F358 HydrophobicContact CE1-CE2 3.75Å; F216-F358 AromaticContact CE1-CZ 3.98Å; F216-F358 HydrophobicContact CE1-CZ 3.98Å; I220-F358 HydrophobicContact CB-CD2 4.09Å; I220-F358 HydrophobicContact CB-CE2 4.46Å; I220-F358 HydrophobicContact CG2-CB 4.32Å; I220-F358 HydrophobicContact CG2-CD2 3.67Å; I220-F358 HydrophobicContact CG2-CE2 4.31Å; I220-F358 HydrophobicContact CG2-CG 4.19Å; M221-F358 HydrophobicContact CG-CB 4.43Å; M221-F358 HydrophobicContact SD-CB 3.57Å; M221-F358 VanDerWaalsContact SD-CB 3.57Å; I354-F358 HydrophobicContact CG2-CD1 4.09Å; I354-F358 HydrophobicContact CG2-CD2 4.4Å; I354-F358 HydrophobicContact CG2-CE1 3.91Å; I354-F358 HydrophobicContact CG2-CE2 4.23Å; I354-F358 HydrophobicContact CG2-CG 4.34Å; I354-F358 HydrophobicContact CG2-CZ 3.98Å; I354-F358 WeakPolarHBondContact O-CB 3.31Å; I354-F358 WeakPolarHBondContact O-CG 3.44Å; I354-F358 PolarHBondContact O-N 3.46Å; N355-F358 PolarHBondContact O-N 3.36Å; F358-L360 VanDerWaalsContact C-N 3.28Å; F358-L360 PolarHBondContact O-N 2.78Å; F358-L361 HydrophobicContact CD1-CD1 4.45Å; F358-L361 PolarHBondContact O-N 3.07Å; F358-W362 WeakPolarHBondContact O-CB 3.42Å; F358-W362 VanDerWaalsContact O-CD1 3.24Å; F358-W362 PolarHBondContact O-N 2.86Å
359	K	92.9	Very high	92.2	Very high	80 Å²	80	43 Å²	43	35%	0.348	21%	0.214	S	C	.	.	H	α-helix	trans	-56.4	-43.1	173.3	-75.2	172.4	175.3	164.3	0	112	M221 N355 N356 L357 S363	M221-K359 HydrophobicContact CE-CG 4.11Å; M221-K359 HydrophobicContact SD-CG 3.94Å; M221-K359 PolarHBondContact SD-N 3.43Å; N355-K359 WeakPolarHBondContact O-CG 3.46Å; N355-K359 PolarHBondContact O-N 2.9Å; N355-K359 VanDerWaalsContact O-N 3.08Å; N355-K359 WeakPolarHBondContact OD1-CE 3.3Å; N355-K359 PolarHBondContact OD1-NZ 2.87Å; N356-K359 PolarHBondContact O-N 3.32Å; L357-K359 PolarHBondContact O-N 3.5Å; K359-S363 WeakPolarHBondContact O-CB 3.38Å; K359-S363 PolarHBondContact O-N 3.2Å
360	L	92.4	Very high	92.4	Very high	47 Å²	47	44.2 Å²	44.2	25%	0.246	22%	0.223	C	C	.	.	H	α-helix	trans	-66.8	-42.8	177.4	-176.2	61	0	0	0	112.4	N356 L357 F358 W362 S363 V369	N356-L360 WeakPolarHBondContact O-CB 3.4Å; N356-L360 PolarHBondContact O-N 2.9Å; L357-L360 WeakPolarHBondContact O-CB 3.37Å; L357-L360 PolarHBondContact O-N 3.28Å; F358-L360 VanDerWaalsContact C-N 3.28Å; F358-L360 PolarHBondContact O-N 2.78Å; L360-W362 VanDerWaalsContact C-N 3.33Å; L360-W362 PolarHBondContact O-N 2.97Å; L360-S363 WeakPolarHBondContact O-CB 3.31Å; L360-S363 PolarHBondContact O-N 3.06Å; L360-S363 PolarHBondContact O-OG 3.39Å; L360-V369 HydrophobicContact CD2-CB 4.41Å; L360-V369 HydrophobicContact CD2-CG1 3.63Å; L360-V369 HydrophobicContact CD2-CG2 3.8Å; L360-V369 HydrophobicContact CG-CG1 4.43Å; L360-V369 HydrophobicContact CG-CG2 3.86Å
361	L	91.8	Very high	92.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-33.9	179.9	-67.5	172.8	0	0	0	112.7	T192 L194 L357 F358 V369	T192-L361 HydrophobicContact CG2-CD2 3.47Å; T192-L361 VanDerWaalsContact CG2-CD2 3.47Å; T192-L361 PolarHBondContact OG1-O 3.47Å; L194-L361 HydrophobicContact CD2-CD1 4.25Å; L194-L361 HydrophobicContact CD2-CD2 3.81Å; L194-L361 HydrophobicContact CG-CD2 4.41Å; L357-L361 HydrophobicContact CD1-CD1 4.09Å; L357-L361 HydrophobicContact CD1-CD2 4.4Å; L357-L361 HydrophobicContact CD1-CG 4.03Å; L357-L361 HydrophobicContact CD2-CD1 4.34Å; L357-L361 HydrophobicContact CG-CD1 3.79Å; L357-L361 HydrophobicContact CG-CG 4.18Å; L357-L361 VanDerWaalsContact O-CG 3.24Å; L357-L361 WeakPolarHBondContact O-CG 3.4Å; L357-L361 PolarHBondContact O-N 2.8Å; F358-L361 HydrophobicContact CD1-CD1 4.45Å; F358-L361 PolarHBondContact O-N 3.07Å; L361-V369 HydrophobicContact CD2-CB 4.05Å; L361-V369 HydrophobicContact CD2-CG2 4.12Å
362	W	89.9	Confident	92.5	Very high	71 Å²	71	46.7 Å²	46.7	27%	0.269	24%	0.24	S	C	.	.	H	α-helix	trans	-88.2	-4	176.4	-74.2	101.8	0	0	0	113.8	P189 A190 R211 H212 M221 F358 L360 G364 N750	P189-W362 HydrophobicContact CB-CE3 4.32Å; P189-W362 WeakPolarHBondContact CB-O 3.22Å; A190-W362 HydrophobicContact CB-CD2 4.2Å; A190-W362 HydrophobicContact CB-CE3 3.67Å; A190-W362 HydrophobicContact CB-CH2 3.4Å; A190-W362 HydrophobicContact CB-CZ2 3.94Å; A190-W362 HydrophobicContact CB-CZ3 3.27Å; R211-W362 VanDerWaalsContact O-CZ2 3.31Å; R211-W362 WeakPolarHBondContact O-CZ2 3.49Å; R211-W362 PolarHBondContact O-NE1 3.23Å; H212-W362 AromaticContact CE1-CH2 3.99Å; H212-W362 AromaticContact CE1-CZ2 3.99Å; H212-W362 AromaticContact ND1-CH2 4Å; H212-W362 AromaticContact ND1-CZ2 3.92Å; M221-W362 HydrophobicContact CE-CB 3.87Å; M221-W362 HydrophobicContact CE-CG 4.25Å; F358-W362 WeakPolarHBondContact O-CB 3.42Å; F358-W362 VanDerWaalsContact O-CD1 3.24Å; F358-W362 PolarHBondContact O-N 2.86Å; L360-W362 VanDerWaalsContact C-N 3.33Å; L360-W362 PolarHBondContact O-N 2.97Å; W362-G364 PolarHBondContact O-N 2.68Å; W362-N750 WeakPolarHBondContact CH2-OD1 3.27Å
363	S	88.1	Confident	92.6	Very high	44 Å²	44	47.1 Å²	47.1	31%	0.308	25%	0.246	S	C	.	.	S	Bend	trans	-66.4	-23.4	179.7	70.2	0	0	0	0	114.1	K359 L360 Q365	K359-S363 WeakPolarHBondContact O-CB 3.38Å; K359-S363 PolarHBondContact O-N 3.2Å; L360-S363 WeakPolarHBondContact O-CB 3.31Å; L360-S363 PolarHBondContact O-N 3.06Å; L360-S363 PolarHBondContact O-OG 3.39Å; S363-Q365 PolarHBondContact O-N 2.9Å; S363-Q365 PolarHBondContact OG-N 3.45Å
364	G	82.5	Confident	92.6	Very high	9 Å²	9	45.4 Å²	45.4	9%	0.093	24%	0.238	C	C	.	.	S	Bend	trans	67.5	5.7	-171.5	0	0	0	0	0	114.3	L187 W362	L187-G364 WeakPolarHBondContact CD2-O 2.97Å; W362-G364 PolarHBondContact O-N 2.68Å
365	Q	83.5	Confident	92.6	Very high	151 Å²	151	45.7 Å²	45.7	71%	0.706	24%	0.239	S	C	*	.	S	Bend	trans	-87.8	-16	-174.9	-65	178.1	-11.2	0	0	113.9	S363	S363-Q365 PolarHBondContact O-N 2.9Å; S363-Q365 PolarHBondContact OG-N 3.45Å
366	R	87.1	Confident	92.6	Very high	138 Å²	138	48.6 Å²	48.6	52%	0.521	26%	0.26	S	S	.	.			trans	-134.8	136.4	-176.8	-63.8	-172.9	178.9	179	-0.3	109.5	T192 V369	T192-R366 VanDerWaalsContact CG2-O 3.23Å; T192-R366 WeakPolarHBondContact CG2-O 3.35Å; T192-R366 PolarHBondContact OG1-O 2.84Å; T192-R366 VanDerWaalsContact OG1-O 3.04Å; R366-V369 HydrophobicContact CB-CG2 4.08Å
367	S	89	Confident	92.7	Very high	61 Å²	61	45 Å²	45	43%	0.427	24%	0.241	S	C	.	.	S	Bend	trans	-78.4	-27	170.8	56.9	0	0	0	0	112.3	T192 G193	T192-S367 CarbonylContact C-O 3.55Å; T192-S367 WeakPolarHBondContact CA-O 3.02Å; G193-S367 PolarHBondContact N-O 3.31Å
368	V	93.4	Very high	92.7	Very high	36 Å²	36	44.4 Å²	44.4	22%	0.218	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	135.1	-178.3	-177.5	0	0	0	0	110.7	G193 R195 A762	G193-V368 CarbonylContact O-C 3.56Å; G193-V368 WeakPolarHBondContact O-CA 3.49Å; R195-V368 HydrophobicContact CG-CG1 3.41Å; R195-V368 VanDerWaalsContact CG-CG1 3.41Å; V368-A762 HydrophobicContact CG1-CB 3.75Å; V368-A762 HydrophobicContact CG2-CB 4.12Å; V368-A762 WeakPolarHBondContact CG2-O 3.39Å
369	V	94.6	Very high	92.7	Very high	6 Å²	6	46 Å²	46	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.2	178.2	171.2	0	0	0	0	110.4	T192 G193 L194 R195 L357 L360 L361 R366	T192-V369 HydrophobicContact CG2-CB 4.26Å; T192-V369 HydrophobicContact CG2-CG2 3.61Å; G193-V369 PolarHBondContact O-N 3.37Å; L194-V369 CarbonylContact C-O 3.59Å; L194-V369 WeakPolarHBondContact CA-O 3.16Å; L194-V369 HydrophobicContact CD2-CB 4.42Å; R195-V369 PolarHBondContact N-O 2.61Å; L357-V369 HydrophobicContact CD1-CG1 3.69Å; L360-V369 HydrophobicContact CD2-CB 4.41Å; L360-V369 HydrophobicContact CD2-CG1 3.63Å; L360-V369 HydrophobicContact CD2-CG2 3.8Å; L360-V369 HydrophobicContact CG-CG1 4.43Å; L360-V369 HydrophobicContact CG-CG2 3.86Å; L361-V369 HydrophobicContact CD2-CB 4.05Å; L361-V369 HydrophobicContact CD2-CG2 4.12Å; R366-V369 HydrophobicContact CB-CG2 4.08Å
370	S	96	Very high	92.8	Very high	52 Å²	52	44.6 Å²	44.6	36%	0.364	25%	0.247	S	C	.	.			trans	-97.5	117.6	171.8	-176.7	0	0	0	0	109.7	L197 S372	L197-S370 VanDerWaalsContact CD2-OG 3.3Å; L197-S370 WeakPolarHBondContact CD2-OG 3.45Å; S370-S372 PolarHBondContact O-N 3.4Å; S370-S372 VanDerWaalsContact O-N 3.11Å; S370-S372 PolarHBondContact OG-OG 2.75Å
371	P	96.3	Very high	92.9	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.019	24%	0.242	C	C	.	.			trans	-84.2	37.8	-177.7	34.6	-35.9	0	0	0	113.2	L194 L197 M203 L357 N373 L374 L375	L194-P371 HydrophobicContact CD2-CB 4.28Å; L194-P371 HydrophobicContact CD2-CG 4.25Å; L197-P371 HydrophobicContact CD1-CG 4.1Å; M203-P371 HydrophobicContact CE-CB 4.28Å; M203-P371 HydrophobicContact CE-CG 3.91Å; L357-P371 HydrophobicContact CD2-CB 4.16Å; P371-N373 PolarHBondContact O-N 2.91Å; P371-L374 HydrophobicContact CB-CB 4.48Å; P371-L374 PolarHBondContact O-N 2.68Å; P371-L375 WeakPolarHBondContact O-CB 3.41Å; P371-L375 PolarHBondContact O-N 2.86Å
372	S	95.6	Very high	93	Very high	48 Å²	48	44.1 Å²	44.1	34%	0.336	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-36.1	-172.7	-58.1	0	0	0	0	114.2	L197 S370 L375 S376	L197-S372 WeakPolarHBondContact CD1-OG 3.25Å; S370-S372 PolarHBondContact O-N 3.4Å; S370-S372 VanDerWaalsContact O-N 3.11Å; S370-S372 PolarHBondContact OG-OG 2.75Å; S372-L375 PolarHBondContact O-N 3.48Å; S372-S376 WeakPolarHBondContact O-CB 3.49Å; S372-S376 PolarHBondContact O-N 2.73Å; S372-S376 PolarHBondContact O-OG 3.49Å
373	N	95.8	Very high	93.2	Very high	110 Å²	110	45 Å²	45	59%	0.588	26%	0.261	S	S	*	.	H	α-helix	trans	-67.9	-46.4	177.4	-65.1	-1.7	0	0	0	110.5	E353 P371 L375 S376 A377	E353-N373 WeakPolarHBondContact OE2-CB 3.34Å; P371-N373 PolarHBondContact O-N 2.91Å; N373-L375 PolarHBondContact O-N 2.95Å; N373-S376 WeakPolarHBondContact O-CB 3.49Å; N373-S376 PolarHBondContact O-N 2.78Å; N373-A377 PolarHBondContact O-N 2.93Å
374	L	97.3	Very high	93.4	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-43.5	174.6	178.8	60.9	0	0	0	111.8	L207 L350 E353 I354 L357 P371 S376 A377 V378	L207-L374 HydrophobicContact CD1-CD2 3.54Å; L207-L374 HydrophobicContact CD2-CD2 3.78Å; L207-L374 HydrophobicContact CG-CD2 4.32Å; L350-L374 HydrophobicContact CD1-CD1 3.63Å; E353-L374 HydrophobicContact CB-CB 4.26Å; E353-L374 HydrophobicContact CB-CD1 3.76Å; I354-L374 HydrophobicContact CG1-CD1 3.67Å; I354-L374 HydrophobicContact CG1-CD2 4.23Å; L357-L374 HydrophobicContact CD2-CD2 3.43Å; L357-L374 VanDerWaalsContact CD2-CD2 3.43Å; P371-L374 HydrophobicContact CB-CB 4.48Å; P371-L374 PolarHBondContact O-N 2.68Å; L374-S376 VanDerWaalsContact C-N 3.29Å; L374-S376 PolarHBondContact O-N 3.16Å; L374-A377 PolarHBondContact O-N 3.47Å; L374-V378 HydrophobicContact CD1-CG2 4.27Å; L374-V378 HydrophobicContact CG-CG2 4.4Å; L374-V378 WeakPolarHBondContact O-CG2 3.17Å; L374-V378 PolarHBondContact O-N 3.3Å
375	L	96.6	Very high	94	Very high	6 Å²	6	47 Å²	47	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-42.1	175.9	-176.7	62.6	0	0	0	111.7	L197 T200 M203 P371 S372 N373 A377 V378 W379	L197-L375 HydrophobicContact CB-CD2 3.95Å; L197-L375 HydrophobicContact CD1-CB 4.48Å; L197-L375 HydrophobicContact CD1-CD2 3.88Å; T200-L375 HydrophobicContact CG2-CD1 4.15Å; T200-L375 HydrophobicContact CG2-CD2 4Å; M203-L375 HydrophobicContact CE-CB 4.31Å; M203-L375 HydrophobicContact CE-CD1 4.12Å; M203-L375 HydrophobicContact SD-CD1 4.2Å; P371-L375 WeakPolarHBondContact O-CB 3.41Å; P371-L375 PolarHBondContact O-N 2.86Å; S372-L375 PolarHBondContact O-N 3.48Å; N373-L375 PolarHBondContact O-N 2.95Å; L375-A377 VanDerWaalsContact C-N 3.34Å; L375-A377 PolarHBondContact O-N 3.48Å; L375-V378 PolarHBondContact O-N 3.15Å; L375-W379 HydrophobicContact CD1-CD2 4.38Å; L375-W379 HydrophobicContact CD1-CH2 4.46Å; L375-W379 HydrophobicContact CD1-CZ2 3.77Å; L375-W379 HydrophobicContact CD2-CH2 3.59Å; L375-W379 HydrophobicContact CD2-CZ2 3.65Å; L375-W379 HydrophobicContact CD2-CZ3 4.29Å; L375-W379 HydrophobicContact CG-CD2 4.19Å; L375-W379 HydrophobicContact CG-CE3 4.44Å; L375-W379 HydrophobicContact CG-CH2 3.86Å; L375-W379 HydrophobicContact CG-CZ2 3.67Å; L375-W379 HydrophobicContact CG-CZ3 4.25Å; L375-W379 PolarHBondContact O-N 3.09Å
376	S	95.5	Very high	94.5	Very high	66 Å²	66	45 Å²	45	46%	0.462	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-40.7	176.4	-55.1	0	0	0	0	111.6	S372 N373 L374 W379 A380	S372-S376 WeakPolarHBondContact O-CB 3.49Å; S372-S376 PolarHBondContact O-N 2.73Å; S372-S376 PolarHBondContact O-OG 3.49Å; N373-S376 WeakPolarHBondContact O-CB 3.49Å; N373-S376 PolarHBondContact O-N 2.78Å; L374-S376 VanDerWaalsContact C-N 3.29Å; L374-S376 PolarHBondContact O-N 3.16Å; S376-W379 PolarHBondContact O-N 3.46Å; S376-A380 WeakPolarHBondContact O-CB 3.3Å; S376-A380 PolarHBondContact O-N 2.76Å
377	A	96.5	Very high	94.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-45.7	174.6	0	0	0	0	0	112.1	P348 L350 E353 N373 L374 L375 W379 A380 T381	P348-A377 HydrophobicContact CB-CB 4.09Å; P348-A377 HydrophobicContact CG-CB 3.67Å; L350-A377 HydrophobicContact CD1-CB 4.38Å; E353-A377 HydrophobicContact CB-CB 4.48Å; E353-A377 HydrophobicContact CG-CB 3.92Å; N373-A377 PolarHBondContact O-N 2.93Å; L374-A377 PolarHBondContact O-N 3.47Å; L375-A377 VanDerWaalsContact C-N 3.34Å; L375-A377 PolarHBondContact O-N 3.48Å; A377-W379 VanDerWaalsContact C-N 3.32Å; A377-W379 PolarHBondContact O-N 3.4Å; A377-A380 PolarHBondContact O-N 2.93Å; A377-T381 PolarHBondContact O-N 2.81Å; A377-T381 PolarHBondContact O-OG1 2.71Å
378	V	97	Very high	94.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-54.4	-47.9	174.3	165.9	0	0	0	0	110.6	M203 L350 L374 L375 A380 T381 L382 F385 F396	M203-V378 HydrophobicContact SD-CG2 4.32Å; L350-V378 HydrophobicContact CD1-CG2 3.69Å; L374-V378 HydrophobicContact CD1-CG2 4.27Å; L374-V378 HydrophobicContact CG-CG2 4.4Å; L374-V378 WeakPolarHBondContact O-CG2 3.17Å; L374-V378 PolarHBondContact O-N 3.3Å; L375-V378 PolarHBondContact O-N 3.15Å; V378-A380 VanDerWaalsContact C-N 3.31Å; V378-A380 PolarHBondContact O-N 2.97Å; V378-T381 PolarHBondContact O-N 2.96Å; V378-L382 CarbonylContact O-C 3.53Å; V378-L382 VanDerWaalsContact O-CA 3.27Å; V378-L382 WeakPolarHBondContact O-CA 3.26Å; V378-L382 VanDerWaalsContact O-CB 3.29Å; V378-L382 WeakPolarHBondContact O-CB 3.4Å; V378-L382 PolarHBondContact O-N 3.24Å; V378-F385 HydrophobicContact CG1-CB 4.27Å; V378-F396 HydrophobicContact CG1-CE2 3.83Å; V378-F396 HydrophobicContact CG2-CE2 4.16Å; V378-F396 HydrophobicContact CG2-CZ 4.3Å
379	W	95.2	Very high	94.7	Very high	33 Å²	33	41.7 Å²	41.7	13%	0.125	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-29.9	178.6	-68.7	-14.1	0	0	0	114	L375 S376 A377 F385 K386 G387 Y388	L375-W379 HydrophobicContact CD1-CD2 4.38Å; L375-W379 HydrophobicContact CD1-CH2 4.46Å; L375-W379 HydrophobicContact CD1-CZ2 3.77Å; L375-W379 HydrophobicContact CD2-CH2 3.59Å; L375-W379 HydrophobicContact CD2-CZ2 3.65Å; L375-W379 HydrophobicContact CD2-CZ3 4.29Å; L375-W379 HydrophobicContact CG-CD2 4.19Å; L375-W379 HydrophobicContact CG-CE3 4.44Å; L375-W379 HydrophobicContact CG-CH2 3.86Å; L375-W379 HydrophobicContact CG-CZ2 3.67Å; L375-W379 HydrophobicContact CG-CZ3 4.25Å; L375-W379 PolarHBondContact O-N 3.09Å; S376-W379 PolarHBondContact O-N 3.46Å; A377-W379 VanDerWaalsContact C-N 3.32Å; A377-W379 PolarHBondContact O-N 3.4Å; W379-F385 VanDerWaalsContact CD1-O 3.3Å; W379-F385 PolarHBondContact NE1-O 2.61Å; W379-K386 HydrophobicContact CB-CB 4.34Å; W379-K386 HydrophobicContact CB-CG 4.23Å; W379-K386 VanDerWaalsContact CD1-CA 3.41Å; W379-K386 HydrophobicContact CD2-CG 4.45Å; W379-K386 HydrophobicContact CG-CB 4.25Å; W379-K386 HydrophobicContact CG-CG 4.17Å; W379-G387 WeakPolarHBondContact CZ2-O 3.3Å; W379-Y388 HydrophobicContact CH2-CD1 4.35Å; W379-Y388 AromaticContact CH2-CE1 3.6Å; W379-Y388 HydrophobicContact CH2-CE1 3.6Å; W379-Y388 HydrophobicContact CH2-CE2 4.24Å; W379-Y388 AromaticContact CH2-CZ 3.56Å; W379-Y388 HydrophobicContact CZ2-CD1 4.29Å; W379-Y388 AromaticContact CZ2-CE1 3.96Å; W379-Y388 HydrophobicContact CZ2-CE1 3.96Å
380	A	94.7	Very high	94.4	Very high	51 Å²	51	42.9 Å²	42.9	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-74.6	-38.9	176.3	0	0	0	0	0	112.1	I347 S376 A377 V378	I347-A380 HydrophobicContact CG2-CB 4.12Å; S376-A380 WeakPolarHBondContact O-CB 3.3Å; S376-A380 PolarHBondContact O-N 2.76Å; A377-A380 PolarHBondContact O-N 2.93Å; V378-A380 VanDerWaalsContact C-N 3.31Å; V378-A380 PolarHBondContact O-N 2.97Å
381	T	94.1	Very high	94.2	Very high	20 Å²	20	41.7 Å²	41.7	12%	0.123	23%	0.231	C	C	.	.	H	α-helix	trans	-93.8	-25.3	-176.4	60.7	0	0	0	0	114.1	I347 A377 V378	I347-T381 HydrophobicContact CG2-CG2 3.76Å; A377-T381 PolarHBondContact O-N 2.81Å; A377-T381 PolarHBondContact O-OG1 2.71Å; V378-T381 PolarHBondContact O-N 2.96Å
382	L	95.1	Very high	94.1	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.089	24%	0.236	C	C	.	.			trans	-129.8	72	-178.1	-59.1	174.1	0	0	0	110.2	V378 T384 F385 L399 R403	V378-L382 CarbonylContact O-C 3.53Å; V378-L382 VanDerWaalsContact O-CA 3.27Å; V378-L382 WeakPolarHBondContact O-CA 3.26Å; V378-L382 VanDerWaalsContact O-CB 3.29Å; V378-L382 WeakPolarHBondContact O-CB 3.4Å; V378-L382 PolarHBondContact O-N 3.24Å; L382-T384 PolarHBondContact O-N 3.33Å; L382-F385 HydrophobicContact CB-CD2 3.84Å; L382-F385 HydrophobicContact CB-CE2 4.48Å; L382-F385 HydrophobicContact CD1-CD2 4.25Å; L382-F385 HydrophobicContact CD1-CE2 4.39Å; L382-F385 PolarHBondContact O-N 3.18Å; L382-L399 HydrophobicContact CD1-CB 4.44Å; L382-L399 HydrophobicContact CD2-CB 4.25Å; L382-R403 HydrophobicContact CD2-CB 3.99Å; L382-R403 HydrophobicContact CD2-CG 4.31Å
383	P	92.7	Very high	94.1	Very high	90 Å²	90	40.3 Å²	40.3	58%	0.584	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-61.4	-19.3	-172.1	23.5	-34.5	0	0	0	114.7	F385 K386	P383-F385 PolarHBondContact O-N 2.91Å; P383-K386 WeakPolarHBondContact O-CB 3.36Å; P383-K386 PolarHBondContact O-N 3.5Å
384	T	93	Very high	94.1	Very high	95 Å²	95	36.6 Å²	36.6	58%	0.583	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-58.9	-31	173.2	-50.3	0	0	0	0	112.5	L382 K386	L382-T384 PolarHBondContact O-N 3.33Å; T384-K386 VanDerWaalsContact C-N 3.35Å
385	F	94.8	Very high	94	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-89	1	178	-63.7	-73.3	0	0	0	113.6	Y202 V378 W379 L382 P383 G387 Q391 E395 F396 L399	Y202-F385 AromaticContact CE2-CD1 3.98Å; Y202-F385 HydrophobicContact CE2-CD1 3.98Å; Y202-F385 HydrophobicContact CE2-CE1 4.46Å; V378-F385 HydrophobicContact CG1-CB 4.27Å; W379-F385 VanDerWaalsContact CD1-O 3.3Å; W379-F385 PolarHBondContact NE1-O 2.61Å; L382-F385 HydrophobicContact CB-CD2 3.84Å; L382-F385 HydrophobicContact CB-CE2 4.48Å; L382-F385 HydrophobicContact CD1-CD2 4.25Å; L382-F385 HydrophobicContact CD1-CE2 4.39Å; L382-F385 PolarHBondContact O-N 3.18Å; P383-F385 PolarHBondContact O-N 2.91Å; F385-G387 PolarHBondContact O-N 2.79Å; F385-Q391 HydrophobicContact CD1-CB 3.85Å; F385-Q391 HydrophobicContact CD1-CG 3.73Å; F385-Q391 HydrophobicContact CE1-CB 4.07Å; F385-Q391 HydrophobicContact CE1-CG 4.42Å; F385-E395 HydrophobicContact CZ-CB 4.46Å; F385-E395 HydrophobicContact CZ-CG 4.12Å; F385-F396 HydrophobicContact CD1-CB 4.46Å; F385-F396 HydrophobicContact CD1-CD2 4.24Å; F385-F396 HydrophobicContact CD2-CD2 4.05Å; F385-F396 HydrophobicContact CE1-CB 3.76Å; F385-F396 HydrophobicContact CE1-CD2 4.22Å; F385-F396 HydrophobicContact CE1-CG 4.49Å; F385-F396 HydrophobicContact CE2-CB 4.46Å; F385-F396 HydrophobicContact CE2-CD2 4Å; F385-F396 HydrophobicContact CG-CD2 4.19Å; F385-F396 HydrophobicContact CZ-CB 3.78Å; F385-F396 HydrophobicContact CZ-CD2 4.12Å; F385-F396 HydrophobicContact CZ-CG 4.48Å; F385-L399 HydrophobicContact CE2-CB 4.05Å; F385-L399 HydrophobicContact CE2-CD1 3.55Å; F385-L399 HydrophobicContact CE2-CG 4.41Å; F385-L399 HydrophobicContact CZ-CD1 3.83Å
386	K	94.6	Very high	94.1	Very high	108 Å²	108	40 Å²	40	47%	0.47	21%	0.214	S	C	.	.			trans	-62.3	132.9	-177.2	-173.6	174.9	177.5	178.5	0	112	W379 P383 T384	W379-K386 HydrophobicContact CB-CB 4.34Å; W379-K386 HydrophobicContact CB-CG 4.23Å; W379-K386 VanDerWaalsContact CD1-CA 3.41Å; W379-K386 HydrophobicContact CD2-CG 4.45Å; W379-K386 HydrophobicContact CG-CB 4.25Å; W379-K386 HydrophobicContact CG-CG 4.17Å; P383-K386 WeakPolarHBondContact O-CB 3.36Å; P383-K386 PolarHBondContact O-N 3.5Å; T384-K386 VanDerWaalsContact C-N 3.35Å
387	G	92.5	Very high	94.2	Very high	4 Å²	4	36.8 Å²	36.8	4%	0.041	19%	0.192	C	C	.	.	S	Bend	trans	99.7	-170.6	179.9	0	0	0	0	0	113	T104 W379 F385	T104-G387 WeakPolarHBondContact O-CA 3.29Å; W379-G387 WeakPolarHBondContact CZ2-O 3.3Å; F385-G387 PolarHBondContact O-N 2.79Å
388	Y	92.2	Very high	94.2	Very high	48 Å²	48	38.3 Å²	38.3	19%	0.188	20%	0.203	C	C	.	.	S	Bend	trans	-111	23.6	-173.3	-55	-78.9	0	0	0	112.1	P22 V103 T104 Q106 L197 G198 N199 W379	P22-Y388 HydrophobicContact CB-CD1 3.64Å; P22-Y388 HydrophobicContact CB-CD2 4.12Å; P22-Y388 HydrophobicContact CB-CE1 3.78Å; P22-Y388 HydrophobicContact CB-CE2 4.25Å; P22-Y388 HydrophobicContact CB-CG 3.8Å; P22-Y388 HydrophobicContact CG-CD1 4.08Å; P22-Y388 HydrophobicContact CG-CD2 3.67Å; P22-Y388 HydrophobicContact CG-CE1 4.04Å; P22-Y388 HydrophobicContact CG-CE2 3.62Å; P22-Y388 HydrophobicContact CG-CG 3.89Å; V103-Y388 HydrophobicContact CG1-CD2 4.22Å; V103-Y388 HydrophobicContact CG1-CE2 4.47Å; V103-Y388 WeakPolarHBondContact O-CD2 3.25Å; T104-Y388 PolarHBondContact O-N 3.34Å; Q106-Y388 HydrophobicContact CG-CD2 4.46Å; Q106-Y388 HydrophobicContact CG-CE2 4.17Å; L197-Y388 VanDerWaalsContact O-CD1 3.27Å; L197-Y388 WeakPolarHBondContact O-CD1 3.35Å; L197-Y388 WeakPolarHBondContact O-CE1 3.45Å; G198-Y388 WeakPolarHBondContact O-CD1 3.03Å; N199-Y388 WeakPolarHBondContact CB-O 3.01Å; N199-Y388 PolarHBondContact ND2-O 3.27Å; W379-Y388 HydrophobicContact CH2-CD1 4.35Å; W379-Y388 AromaticContact CH2-CE1 3.6Å; W379-Y388 HydrophobicContact CH2-CE1 3.6Å; W379-Y388 HydrophobicContact CH2-CE2 4.24Å; W379-Y388 AromaticContact CH2-CZ 3.56Å; W379-Y388 HydrophobicContact CZ2-CD1 4.29Å; W379-Y388 AromaticContact CZ2-CE1 3.96Å; W379-Y388 HydrophobicContact CZ2-CE1 3.96Å
389	K	89.1	Confident	94.1	Very high	113 Å²	113	40.9 Å²	40.9	49%	0.491	22%	0.216	S	C	.	.	S	Bend	trans	-66.4	152.7	167.8	-69.7	-174.9	178.3	176.9	0	109.3	T104 Q391	T104-K389 HydrophobicContact CG2-CB 4.4Å; T104-K389 HydrophobicContact CG2-CG 3.44Å; T104-K389 VanDerWaalsContact CG2-CG 3.44Å; K389-Q391 WeakPolarHBondContact O-CG 3.47Å
390	Q	87.2	Confident	94.2	Very high	32 Å²	32	39.4 Å²	39.4	15%	0.15	21%	0.211	C	C	.	.			trans	-66.5	143.4	166.8	-58.8	-153	-18.2	0	0	110.4	T33 N199 Q740 G742	T33-Q390 PolarHBondContact O-NE2 3.44Å; N199-Q390 HydrophobicContact CB-CG 4.27Å; N199-Q390 PolarHBondContact OD1-NE2 3.39Å; Q390-Q740 VanDerWaalsContact CD-O 3.25Å; Q390-Q740 PolarHBondContact OE1-O 2.88Å; Q390-Q740 VanDerWaalsContact OE1-O 3.07Å; Q390-G742 PolarHBondContact NE2-O 2.85Å
391	Q	92.7	Very high	94.3	Very high	27 Å²	27	37.2 Å²	37.2	13%	0.126	19%	0.192	C	C	.	.			trans	-133.1	156.3	-172.9	-57.5	-70.5	1.2	0	0	109.7	Y202 F385 K389 Y744	Y202-Q391 HydrophobicContact CD1-CB 3.74Å; Y202-Q391 HydrophobicContact CD1-CG 4.2Å; Y202-Q391 HydrophobicContact CD2-CB 3.83Å; Y202-Q391 HydrophobicContact CE1-CB 3.76Å; Y202-Q391 HydrophobicContact CE1-CG 3.73Å; Y202-Q391 HydrophobicContact CE2-CB 3.86Å; Y202-Q391 HydrophobicContact CE2-CG 4.23Å; Y202-Q391 HydrophobicContact CG-CB 3.78Å; F385-Q391 HydrophobicContact CD1-CB 3.85Å; F385-Q391 HydrophobicContact CD1-CG 3.73Å; F385-Q391 HydrophobicContact CE1-CB 4.07Å; F385-Q391 HydrophobicContact CE1-CG 4.42Å; K389-Q391 WeakPolarHBondContact O-CG 3.47Å; Q391-Y744 WeakPolarHBondContact O-CE2 3.18Å
392	D	93.2	Very high	94.2	Very high	21 Å²	21	40.6 Å²	40.6	11%	0.112	21%	0.209	C	C	.	.			trans	-81	124	175.6	-170.4	-41.8	0	0	0	110.1	Q394 E395 F396 Y778	D392-Q394 VanDerWaalsContact C-N 3.31Å; D392-Q394 PolarHBondContact O-N 3.5Å; D392-Q394 WeakPolarHBondContact OD1-CA 3.48Å; D392-Q394 WeakPolarHBondContact OD1-CB 3.43Å; D392-Q394 PolarHBondContact OD1-N 3.18Å; D392-E395 HydrophobicContact CB-CB 3.93Å; D392-E395 PolarHBondContact O-N 3.32Å; D392-E395 PolarHBondContact OD1-N 2.96Å; D392-F396 WeakPolarHBondContact O-CB 3.25Å; D392-F396 PolarHBondContact O-N 3.11Å; D392-Y778 PolarHBondContact OD1-OH 2.74Å; D392-Y778 PolarHBondContact OD2-OH 3.48Å
393	A	96.1	Very high	94.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.6	-30.2	-179.4	0	0	0	0	0	112.7	I206 L397 Y744 Y778	I206-A393 HydrophobicContact CD1-CB 4.27Å; I206-A393 HydrophobicContact CG1-CB 4.09Å; A393-L397 VanDerWaalsContact O-CB 3.31Å; A393-L397 WeakPolarHBondContact O-CB 3.39Å; A393-L397 PolarHBondContact O-N 2.81Å; A393-Y744 HydrophobicContact CB-CD1 3.69Å; A393-Y744 HydrophobicContact CB-CD2 4.4Å; A393-Y744 HydrophobicContact CB-CE1 3.46Å; A393-Y744 VanDerWaalsContact CB-CE1 3.46Å; A393-Y744 HydrophobicContact CB-CE2 4.21Å; A393-Y744 HydrophobicContact CB-CG 4.15Å; A393-Y744 PolarHBondContact N-OH 3.36Å; A393-Y778 HydrophobicContact CB-CE1 4.5Å
394	Q	95.7	Very high	94.1	Very high	33 Å²	33	38.6 Å²	38.6	15%	0.154	19%	0.189	C	C	.	.	H	α-helix	trans	-72.7	-42.5	177.5	-174.1	-83.6	-15.8	0	0	111	D392 F396 L397 S398 E451 H641 Y778 I779	D392-Q394 VanDerWaalsContact C-N 3.31Å; D392-Q394 PolarHBondContact O-N 3.5Å; D392-Q394 WeakPolarHBondContact OD1-CA 3.48Å; D392-Q394 WeakPolarHBondContact OD1-CB 3.43Å; D392-Q394 PolarHBondContact OD1-N 3.18Å; Q394-F396 VanDerWaalsContact C-N 3.35Å; Q394-L397 PolarHBondContact O-N 3.18Å; Q394-S398 PolarHBondContact O-N 2.93Å; Q394-S398 PolarHBondContact O-OG 2.93Å; Q394-E451 VanDerWaalsContact CG-OE1 3.3Å; Q394-E451 WeakPolarHBondContact CG-OE1 3.4Å; Q394-E451 PolarHBondContact NE2-OE1 3.35Å; Q394-E451 PolarHBondContact NE2-OE2 3.37Å; Q394-H641 HydrophobicContact CG-CB 4.25Å; Q394-Y778 HydrophobicContact CB-CE1 4.13Å; Q394-I779 HydrophobicContact CB-CD1 3.78Å; Q394-I779 HydrophobicContact CB-CG1 4.44Å; Q394-I779 HydrophobicContact CG-CD1 4.27Å
395	E	95.3	Very high	94	Very high	79 Å²	79	35.5 Å²	35.5	37%	0.369	17%	0.168	S	C	.	.	H	α-helix	trans	-62.9	-45.1	174.6	-172	179.2	-156.7	0	0	110.3	F385 D392 S398 L399	F385-E395 HydrophobicContact CZ-CB 4.46Å; F385-E395 HydrophobicContact CZ-CG 4.12Å; D392-E395 HydrophobicContact CB-CB 3.93Å; D392-E395 PolarHBondContact O-N 3.32Å; D392-E395 PolarHBondContact OD1-N 2.96Å; E395-S398 PolarHBondContact O-N 3.4Å; E395-L399 HydrophobicContact CG-CD1 4Å; E395-L399 PolarHBondContact O-N 3.37Å
396	F	98	Very high	93.7	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-49.5	176	176	-107.7	0	0	0	112.2	Y202 M203 I206 V378 F385 D392 Q394 S398 L399 L400	Y202-F396 HydrophobicContact CD2-CB 3.69Å; Y202-F396 HydrophobicContact CD2-CD1 4.06Å; Y202-F396 HydrophobicContact CD2-CD2 4.24Å; Y202-F396 AromaticContact CD2-CG 3.72Å; Y202-F396 HydrophobicContact CD2-CG 3.72Å; Y202-F396 HydrophobicContact CE2-CB 3.92Å; Y202-F396 HydrophobicContact CE2-CD1 4.2Å; Y202-F396 AromaticContact CE2-CD2 3.67Å; Y202-F396 HydrophobicContact CE2-CD2 3.67Å; Y202-F396 HydrophobicContact CE2-CE2 4.26Å; Y202-F396 AromaticContact CE2-CG 3.63Å; Y202-F396 HydrophobicContact CE2-CG 3.63Å; M203-F396 HydrophobicContact CB-CD1 4.33Å; M203-F396 HydrophobicContact CB-CE1 3.83Å; M203-F396 HydrophobicContact CB-CZ 3.99Å; M203-F396 HydrophobicContact CG-CE1 3.67Å; M203-F396 HydrophobicContact CG-CE2 4.44Å; M203-F396 HydrophobicContact CG-CZ 3.56Å; M203-F396 HydrophobicContact SD-CZ 4.25Å; I206-F396 HydrophobicContact CB-CD1 4.13Å; I206-F396 HydrophobicContact CB-CE1 4.25Å; I206-F396 HydrophobicContact CG1-CD1 4.18Å; I206-F396 HydrophobicContact CG2-CD1 4.2Å; I206-F396 HydrophobicContact CG2-CE1 4.18Å; V378-F396 HydrophobicContact CG1-CE2 3.83Å; V378-F396 HydrophobicContact CG2-CE2 4.16Å; V378-F396 HydrophobicContact CG2-CZ 4.3Å; F385-F396 HydrophobicContact CD1-CB 4.46Å; F385-F396 HydrophobicContact CD1-CD2 4.24Å; F385-F396 HydrophobicContact CD2-CD2 4.05Å; F385-F396 HydrophobicContact CE1-CB 3.76Å; F385-F396 HydrophobicContact CE1-CD2 4.22Å; F385-F396 HydrophobicContact CE1-CG 4.49Å; F385-F396 HydrophobicContact CE2-CB 4.46Å; F385-F396 HydrophobicContact CE2-CD2 4Å; F385-F396 HydrophobicContact CG-CD2 4.19Å; F385-F396 HydrophobicContact CZ-CB 3.78Å; F385-F396 HydrophobicContact CZ-CD2 4.12Å; F385-F396 HydrophobicContact CZ-CG 4.48Å; D392-F396 WeakPolarHBondContact O-CB 3.25Å; D392-F396 PolarHBondContact O-N 3.11Å; Q394-F396 VanDerWaalsContact C-N 3.35Å; F396-S398 VanDerWaalsContact C-N 3.31Å; F396-S398 PolarHBondContact O-N 3.06Å; F396-L399 PolarHBondContact O-N 3.45Å; F396-L400 HydrophobicContact CE1-CD2 3.84Å; F396-L400 HydrophobicContact CZ-CB 4.44Å; F396-L400 HydrophobicContact CZ-CD1 4.36Å; F396-L400 HydrophobicContact CZ-CD2 3.97Å; F396-L400 HydrophobicContact CZ-CG 4.5Å; F396-L400 WeakPolarHBondContact O-CB 3.5Å; F396-L400 PolarHBondContact O-N 2.85Å
397	L	98.1	Very high	93.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.5	-44.2	177.9	171.3	63.3	0	0	0	111.9	I206 L210 A393 Q394 L401 R639 F781	I206-L397 HydrophobicContact CD1-CB 3.91Å; I206-L397 HydrophobicContact CD1-CD2 4.17Å; I206-L397 HydrophobicContact CD1-CG 4.45Å; I206-L397 HydrophobicContact CG1-CB 4.19Å; I206-L397 HydrophobicContact CG2-CB 4.07Å; I206-L397 HydrophobicContact CG2-CD1 3.73Å; I206-L397 HydrophobicContact CG2-CG 4.43Å; L210-L397 HydrophobicContact CD1-CD1 4.1Å; L210-L397 HydrophobicContact CD2-CD1 4.08Å; L210-L397 HydrophobicContact CG-CD1 4.32Å; A393-L397 VanDerWaalsContact O-CB 3.31Å; A393-L397 WeakPolarHBondContact O-CB 3.39Å; A393-L397 PolarHBondContact O-N 2.81Å; Q394-L397 PolarHBondContact O-N 3.18Å; L397-L401 HydrophobicContact CD1-CD1 4.07Å; L397-L401 HydrophobicContact CD1-CG 4.14Å; L397-L401 WeakPolarHBondContact O-CG 3.27Å; L397-L401 PolarHBondContact O-N 3.16Å; L397-L401 VanDerWaalsContact O-N 3.12Å; L397-R639 VanDerWaalsContact CG-NH1 3.35Å; L397-F781 HydrophobicContact CD1-CZ 4.48Å; L397-F781 HydrophobicContact CD2-CE2 4.17Å; L397-F781 HydrophobicContact CD2-CZ 3.62Å
398	S	96	Very high	92.9	Very high	31 Å²	31	34.3 Å²	34.3	22%	0.217	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-51.2	-179.1	-60.5	0	0	0	0	111.3	Q394 E395 F396 L400 L401 D402	Q394-S398 PolarHBondContact O-N 2.93Å; Q394-S398 PolarHBondContact O-OG 2.93Å; E395-S398 PolarHBondContact O-N 3.4Å; F396-S398 VanDerWaalsContact C-N 3.31Å; F396-S398 PolarHBondContact O-N 3.06Å; S398-L400 VanDerWaalsContact C-N 3.33Å; S398-L400 PolarHBondContact O-N 3.07Å; S398-L401 PolarHBondContact O-N 2.92Å; S398-D402 PolarHBondContact O-N 3.39Å
399	L	96.6	Very high	92.3	Very high	56 Å²	56	36.9 Å²	36.9	29%	0.293	18%	0.183	S	C	.	.	H	α-helix	trans	-67.8	-31.9	180	-69.3	176.2	0	0	0	113	L382 F385 E395 F396 R403	L382-L399 HydrophobicContact CD1-CB 4.44Å; L382-L399 HydrophobicContact CD2-CB 4.25Å; F385-L399 HydrophobicContact CE2-CB 4.05Å; F385-L399 HydrophobicContact CE2-CD1 3.55Å; F385-L399 HydrophobicContact CE2-CG 4.41Å; F385-L399 HydrophobicContact CZ-CD1 3.83Å; E395-L399 HydrophobicContact CG-CD1 4Å; E395-L399 PolarHBondContact O-N 3.37Å; F396-L399 PolarHBondContact O-N 3.45Å; L399-R403 VanDerWaalsContact O-CB 3.27Å; L399-R403 WeakPolarHBondContact O-CB 2.94Å; L399-R403 PolarHBondContact O-N 2.84Å
400	L	97.3	Very high	91.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-50.5	173.5	177.4	63.2	0	0	0	111.1	I206 L210 L350 I354 F396 S398 R403 L404	I206-L400 HydrophobicContact CG2-CD2 4.3Å; L210-L400 HydrophobicContact CD1-CD2 3.85Å; L350-L400 HydrophobicContact CD1-CD1 4.3Å; L350-L400 HydrophobicContact CD2-CD1 3.62Å; L350-L400 HydrophobicContact CG-CD1 4.1Å; I354-L400 HydrophobicContact CD1-CD1 3.87Å; F396-L400 HydrophobicContact CE1-CD2 3.84Å; F396-L400 HydrophobicContact CZ-CB 4.44Å; F396-L400 HydrophobicContact CZ-CD1 4.36Å; F396-L400 HydrophobicContact CZ-CD2 3.97Å; F396-L400 HydrophobicContact CZ-CG 4.5Å; F396-L400 WeakPolarHBondContact O-CB 3.5Å; F396-L400 PolarHBondContact O-N 2.85Å; S398-L400 VanDerWaalsContact C-N 3.33Å; S398-L400 PolarHBondContact O-N 3.07Å; L400-R403 PolarHBondContact O-N 2.98Å; L400-L404 HydrophobicContact CD1-CD1 4.31Å; L400-L404 HydrophobicContact CD1-CG 4.48Å; L400-L404 HydrophobicContact CG-CD1 4.21Å; L400-L404 VanDerWaalsContact O-CG 3.29Å; L400-L404 WeakPolarHBondContact O-CG 3.42Å; L400-L404 PolarHBondContact O-N 3.43Å
401	L	95.9	Very high	89.6	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-43.4	179.8	-67.5	-176.9	0	0	0	111.7	F216 L397 S398 R403 L404 Q405 I422 F426	F216-L401 HydrophobicContact CD2-CD2 4.31Å; F216-L401 HydrophobicContact CE2-CD2 3.62Å; F216-L401 HydrophobicContact CZ-CD2 4.29Å; L397-L401 HydrophobicContact CD1-CD1 4.07Å; L397-L401 HydrophobicContact CD1-CG 4.14Å; L397-L401 WeakPolarHBondContact O-CG 3.27Å; L397-L401 PolarHBondContact O-N 3.16Å; L397-L401 VanDerWaalsContact O-N 3.12Å; S398-L401 PolarHBondContact O-N 2.92Å; L401-R403 VanDerWaalsContact C-N 3.29Å; L401-R403 PolarHBondContact O-N 3.18Å; L401-L404 PolarHBondContact O-N 2.98Å; L401-Q405 WeakPolarHBondContact O-CB 3.48Å; L401-Q405 PolarHBondContact O-N 2.97Å; L401-I422 HydrophobicContact CB-CG2 4.21Å; L401-I422 HydrophobicContact CD1-CG2 4.48Å; L401-I422 HydrophobicContact CD2-CD1 4.44Å; L401-I422 HydrophobicContact CD2-CG2 4.47Å; L401-I422 WeakPolarHBondContact O-CD1 3.12Å; L401-F426 HydrophobicContact CD1-CD2 3.99Å; L401-F426 HydrophobicContact CD1-CE2 4.08Å; L401-F426 HydrophobicContact CD1-CG 4.49Å; L401-F426 HydrophobicContact CD2-CE2 4.25Å
402	D	92.2	Very high	87.1	Confident	91 Å²	91	39.3 Å²	39.3	49%	0.487	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-43.1	176.5	-73.6	-12.4	0	0	0	111.3	S398 Q405 A406	S398-D402 PolarHBondContact O-N 3.39Å; D402-Q405 PolarHBondContact O-N 2.8Å; D402-A406 WeakPolarHBondContact O-CB 3.44Å; D402-A406 PolarHBondContact O-N 2.87Å
403	R	93	Very high	84.4	Confident	65 Å²	65	43.2 Å²	43.2	25%	0.245	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-42.5	178.6	178.1	58.6	-167.2	177.8	3.2	112.4	L350 L382 L399 L400 L401 Q405 A406 E407	L350-R403 HydrophobicContact CD2-CB 4.08Å; L350-R403 HydrophobicContact CD2-CG 3.59Å; L382-R403 HydrophobicContact CD2-CB 3.99Å; L382-R403 HydrophobicContact CD2-CG 4.31Å; L399-R403 VanDerWaalsContact O-CB 3.27Å; L399-R403 WeakPolarHBondContact O-CB 2.94Å; L399-R403 PolarHBondContact O-N 2.84Å; L400-R403 PolarHBondContact O-N 2.98Å; L401-R403 VanDerWaalsContact C-N 3.29Å; L401-R403 PolarHBondContact O-N 3.18Å; R403-Q405 VanDerWaalsContact C-N 3.3Å; R403-Q405 PolarHBondContact O-N 3.46Å; R403-A406 PolarHBondContact O-N 3.21Å; R403-E407 IonicContact CZ-OE1 3.84Å; R403-E407 IonicContact NE-OE1 2.91Å; R403-E407 PolarHBondContact NE-OE1 3.42Å; R403-E407 IonicContact NH2-OE1 3.64Å; R403-E407 PolarHBondContact NH2-OE1 2.98Å; R403-E407 PolarHBondContact O-N 2.95Å
404	L	93	Very high	81.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-40.5	175.3	-72.2	171.1	0	0	0	111.6	F216 L350 Y351 I354 L400 L401 E407 L408 I422	F216-L404 HydrophobicContact CE2-CD1 4.32Å; F216-L404 HydrophobicContact CZ-CD1 3.99Å; L350-L404 HydrophobicContact CB-CD2 4.36Å; L350-L404 HydrophobicContact CD2-CD2 4.41Å; L350-L404 HydrophobicContact CD2-CG 4.5Å; L350-L404 HydrophobicContact CG-CD2 4.12Å; Y351-L404 HydrophobicContact CD2-CD2 4.25Å; I354-L404 HydrophobicContact CD1-CD1 3.73Å; I354-L404 HydrophobicContact CD1-CD2 3.85Å; I354-L404 HydrophobicContact CD1-CG 4.25Å; L400-L404 HydrophobicContact CD1-CD1 4.31Å; L400-L404 HydrophobicContact CD1-CG 4.48Å; L400-L404 HydrophobicContact CG-CD1 4.21Å; L400-L404 VanDerWaalsContact O-CG 3.29Å; L400-L404 WeakPolarHBondContact O-CG 3.42Å; L400-L404 PolarHBondContact O-N 3.43Å; L401-L404 PolarHBondContact O-N 2.98Å; L404-E407 PolarHBondContact O-N 3.31Å; L404-L408 WeakPolarHBondContact O-CG 3.16Å; L404-L408 PolarHBondContact O-N 3.37Å; L404-I422 HydrophobicContact CB-CD1 3.7Å
405	Q	90.3	Very high	79.2	Confident	30 Å²	30	47.8 Å²	47.8	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-42.8	176.1	-168.5	175.3	10.9	0	0	111.4	L401 D402 R403 L408 H409 D420 I422 T423	L401-Q405 WeakPolarHBondContact O-CB 3.48Å; L401-Q405 PolarHBondContact O-N 2.97Å; D402-Q405 PolarHBondContact O-N 2.8Å; R403-Q405 VanDerWaalsContact C-N 3.3Å; R403-Q405 PolarHBondContact O-N 3.46Å; Q405-L408 PolarHBondContact O-N 3.47Å; Q405-H409 PolarHBondContact O-N 3.45Å; Q405-D420 PolarHBondContact NE2-OD2 3.48Å; Q405-I422 HydrophobicContact CB-CD1 3.98Å; Q405-T423 PolarHBondContact NE2-OG1 2.88Å; Q405-T423 VanDerWaalsContact NE2-OG1 3.08Å
406	A	88.1	Confident	76.6	Confident	38 Å²	38	49.5 Å²	49.5	31%	0.314	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-40.3	176.5	0	0	0	0	0	112.8	D402 R403 L408 H409 G410	D402-A406 WeakPolarHBondContact O-CB 3.44Å; D402-A406 PolarHBondContact O-N 2.87Å; R403-A406 PolarHBondContact O-N 3.21Å; A406-L408 VanDerWaalsContact C-N 3.25Å; A406-L408 PolarHBondContact O-N 2.83Å; A406-H409 PolarHBondContact O-N 2.79Å; A406-G410 PolarHBondContact O-N 2.88Å
407	E	88.2	Confident	74.5	Confident	32 Å²	32	55.9 Å²	55.9	15%	0.15	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-33.5	175.6	-76.5	-172.7	-167.2	0	0	112.4	S349 L350 Y351 R403 L404	S349-E407 PolarHBondContact OG-OE2 3.04Å; L350-E407 WeakPolarHBondContact CB-OE1 3.47Å; L350-E407 PolarHBondContact N-OE1 3.42Å; L350-E407 PolarHBondContact N-OE2 3.23Å; L350-E407 VanDerWaalsContact N-OE2 3.09Å; Y351-E407 PolarHBondContact N-OE2 2.84Å; R403-E407 IonicContact CZ-OE1 3.84Å; R403-E407 IonicContact NE-OE1 2.91Å; R403-E407 PolarHBondContact NE-OE1 3.42Å; R403-E407 IonicContact NH2-OE1 3.64Å; R403-E407 PolarHBondContact NH2-OE1 2.98Å; R403-E407 PolarHBondContact O-N 2.95Å; L404-E407 PolarHBondContact O-N 3.31Å
408	L	82.9	Confident	72.3	Confident	17 Å²	17	59 Å²	59	9%	0.089	37%	0.374	C	S	.	.	H	α-helix	trans	-78.4	-30.9	177.1	-66.5	175.7	0	0	0	113.6	L225 I228 Y351 L404 Q405 A406 F421	L225-L408 HydrophobicContact CD1-CD2 4.34Å; I228-L408 HydrophobicContact CD1-CD2 3.89Å; I228-L408 HydrophobicContact CG2-CD2 4.13Å; Y351-L408 HydrophobicContact CD2-CD2 4.18Å; Y351-L408 HydrophobicContact CD2-CG 4.48Å; Y351-L408 HydrophobicContact CE2-CD1 4.35Å; Y351-L408 HydrophobicContact CE2-CD2 4.19Å; L404-L408 WeakPolarHBondContact O-CG 3.16Å; L404-L408 PolarHBondContact O-N 3.37Å; Q405-L408 PolarHBondContact O-N 3.47Å; A406-L408 VanDerWaalsContact C-N 3.25Å; A406-L408 PolarHBondContact O-N 2.83Å; L408-F421 HydrophobicContact CD1-CD1 3.65Å; L408-F421 HydrophobicContact CD1-CE1 3.37Å
409	H	80.3	Confident	70.8	Confident	103 Å²	103	60 Å²	60	48%	0.477	38%	0.38	S	S	.	.	H	α-helix	trans	-87.9	-17	179.2	-66.9	160.9	0	0	0	114.2	Q405 A406 V411 D420	Q405-H409 PolarHBondContact O-N 3.45Å; A406-H409 PolarHBondContact O-N 2.79Å; H409-V411 PolarHBondContact O-N 3.41Å; H409-D420 IonicContact CE1-OD2 2.86Å; H409-D420 PolarHBondContact CE1-OD2 3.44Å; H409-D420 IonicContact NE2-OD2 3.97Å; H409-D420 PolarHBondContact NE2-OD2 2.58Å
410	G	63.1	Low	70.3	Confident	68 Å²	68	58.5 Å²	58.5	70%	0.701	37%	0.373	S	S	*	.	S	Bend	trans	-68.8	-4.8	177.4	0	0	0	0	0	114.9	A406	A406-G410 PolarHBondContact O-N 2.88Å
411	V	54.6	Low	69.9	Low	41 Å²	41	58.8 Å²	58.8	25%	0.248	37%	0.374	C	S	.	.	S	Bend	trans	-83.8	128.9	168.1	-171.8	0	0	0	0	107.4	N229 H409 M413	N229-V411 WeakPolarHBondContact OD1-CG2 3.5Å; H409-V411 PolarHBondContact O-N 3.41Å; V411-M413 WeakPolarHBondContact O-CG 3.37Å; V411-M413 PolarHBondContact O-N 2.8Å
412	P	40.1	Very low	69.8	Low	114 Å²	114	58.6 Å²	58.6	74%	0.74	37%	0.373	S	S	*	.			trans	-54.6	107.1	177.7	-15	21.8	0	0	0	110
413	M	37.9	Very low	69.8	Low	102 Å²	102	54.7 Å²	54.7	50%	0.502	35%	0.352	S	S	.	.			trans	-99.5	122.6	-179.3	-77.6	-67.5	-69.9	0	0	109.5	V411 V415	V411-M413 WeakPolarHBondContact O-CG 3.37Å; V411-M413 PolarHBondContact O-N 2.8Å; M413-V415 HydrophobicContact CE-CB 4.18Å; M413-V415 HydrophobicContact CE-CG2 4.13Å
414	S	39.1	Very low	69.7	Low	69 Å²	69	57.7 Å²	57.7	48%	0.483	36%	0.364	S	S	.	.			trans	-94.6	29.1	169.1	56.2	0	0	0	0	113	H236	H236-S414 WeakPolarHBondContact CE1-CB 3.28Å; H236-S414 PolarHBondContact CE1-OG 3.46Å; H236-S414 PolarHBondContact NE2-OG 3.34Å
415	V	42.5	Very low	69.7	Low	60 Å²	60	57.8 Å²	57.8	36%	0.364	36%	0.364	S	S	.	.	S	Bend	trans	-119.5	128.5	173.3	-169.4	0	0	0	0	109.3	M413 S417	M413-V415 HydrophobicContact CE-CB 4.18Å; M413-V415 HydrophobicContact CE-CG2 4.13Å; V415-S417 PolarHBondContact O-N 2.84Å
416	P	42.1	Very low	70	Confident	116 Å²	116	56.3 Å²	56.3	75%	0.753	36%	0.357	S	S	*	.			trans	-58.8	133.7	-179.8	-18.7	29.6	0	0	0	111.8	G418	P416-G418 PolarHBondContact O-N 2.87Å
417	S	52.2	Low	70.3	Confident	134 Å²	134	57.7 Å²	57.7	94%	0.937	35%	0.354	S	S	*	.	S	Bend	trans	-2.3	102.8	158.5	-61.2	0	0	0	0	115.7	V415	V415-S417 PolarHBondContact O-N 2.84Å
418	G	53.2	Low	70.6	Confident	66 Å²	66	56.2 Å²	56.2	68%	0.68	35%	0.347	S	S	*	.			trans	-172.2	56.4	-178.9	0	0	0	0	0	116.3	P416	P416-G418 PolarHBondContact O-N 2.87Å
419	C	64.5	Low	71.1	Confident	52 Å²	52	58 Å²	58	35%	0.351	35%	0.354	S	S	.	.			trans	71.9	85.4	157.3	-163	0	0	0	0	115.8	T423 R424	C419-T423 HydrophobicContact CB-CG2 3.93Å; C419-T423 VanDerWaalsContact SG-CB 3.59Å; C419-T423 WeakPolarHBondContact SG-CG2 3.3Å; C419-R424 PolarHBondContact O-NH2 2.81Å; C419-R424 WeakPolarHBondContact SG-CA 3.21Å; C419-R424 PolarHBondContact SG-N 3.15Å
420	D	85.4	Confident	71.8	Confident	25 Å²	25	53.5 Å²	53.5	13%	0.134	33%	0.334	C	S	.	.			trans	-56.9	174.1	162.6	64.4	75.6	0	0	0	112	Q405 H409 I422 T423 R424	Q405-D420 PolarHBondContact NE2-OD2 3.48Å; H409-D420 IonicContact CE1-OD2 2.86Å; H409-D420 PolarHBondContact CE1-OD2 3.44Å; H409-D420 IonicContact NE2-OD2 3.97Å; H409-D420 PolarHBondContact NE2-OD2 2.58Å; D420-I422 VanDerWaalsContact C-N 3.3Å; D420-I422 PolarHBondContact O-N 2.89Å; D420-I422 WeakPolarHBondContact OD1-CA 3.46Å; D420-I422 VanDerWaalsContact OD1-CB 3.26Å; D420-I422 WeakPolarHBondContact OD1-CB 3.12Å; D420-I422 PolarHBondContact OD1-N 2.76Å; D420-T423 PolarHBondContact O-N 2.81Å; D420-T423 PolarHBondContact OD1-N 2.89Å; D420-T423 PolarHBondContact OD1-OG1 3.15Å; D420-T423 PolarHBondContact OD2-OG1 2.89Å; D420-R424 WeakPolarHBondContact O-CB 3.3Å; D420-R424 PolarHBondContact O-N 2.8Å
421	F	89.2	Confident	73.1	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-64.9	-29.8	-174.8	85.4	-76	0	0	0	114.1	F216 Y219 I220 Y351 L408 R424 A425	F216-F421 HydrophobicContact CD2-CD2 4.24Å; F216-F421 AromaticContact CD2-CE2 3.41Å; F216-F421 HydrophobicContact CD2-CE2 3.41Å; F216-F421 VanDerWaalsContact CD2-CE2 3.41Å; F216-F421 HydrophobicContact CD2-CZ 4.15Å; F216-F421 AromaticContact CE2-CE2 3.54Å; F216-F421 HydrophobicContact CE2-CE2 3.54Å; F216-F421 AromaticContact CE2-CZ 3.8Å; F216-F421 HydrophobicContact CE2-CZ 3.8Å; F216-F421 HydrophobicContact CG-CE2 4.16Å; F216-F421 HydrophobicContact CZ-CE2 4.35Å; F216-F421 HydrophobicContact CZ-CZ 4.48Å; Y219-F421 HydrophobicContact CD1-CB 3.67Å; Y219-F421 AromaticContact CD1-CD1 3.42Å; Y219-F421 HydrophobicContact CD1-CD1 3.42Å; Y219-F421 VanDerWaalsContact CD1-CD1 3.42Å; Y219-F421 AromaticContact CD1-CD2 3.34Å; Y219-F421 HydrophobicContact CD1-CD2 3.34Å; Y219-F421 AromaticContact CD1-CE1 3.84Å; Y219-F421 HydrophobicContact CD1-CE1 3.84Å; Y219-F421 AromaticContact CD1-CE2 3.72Å; Y219-F421 HydrophobicContact CD1-CE2 3.72Å; Y219-F421 AromaticContact CD1-CG 3.16Å; Y219-F421 HydrophobicContact CD1-CG 3.16Å; Y219-F421 AromaticContact CD1-CZ 3.97Å; Y219-F421 HydrophobicContact CD1-CZ 3.97Å; Y219-F421 HydrophobicContact CD2-CB 3.53Å; Y219-F421 HydrophobicContact CD2-CD2 4.47Å; Y219-F421 HydrophobicContact CD2-CG 4.03Å; Y219-F421 HydrophobicContact CE1-CB 3.89Å; Y219-F421 AromaticContact CE1-CD1 3.28Å; Y219-F421 HydrophobicContact CE1-CD1 3.28Å; Y219-F421 HydrophobicContact CE1-CD2 4.12Å; Y219-F421 AromaticContact CE1-CE1 3.78Å; Y219-F421 HydrophobicContact CE1-CE1 3.78Å; Y219-F421 HydrophobicContact CE1-CE2 4.49Å; Y219-F421 AromaticContact CE1-CG 3.48Å; Y219-F421 HydrophobicContact CE1-CG 3.48Å; Y219-F421 VanDerWaalsContact CE1-CG 3.48Å; Y219-F421 HydrophobicContact CE1-CZ 4.36Å; Y219-F421 HydrophobicContact CE2-CB 3.78Å; Y219-F421 HydrophobicContact CE2-CG 4.31Å; Y219-F421 HydrophobicContact CG-CB 3.46Å; Y219-F421 VanDerWaalsContact CG-CB 3.46Å; Y219-F421 HydrophobicContact CG-CD1 4.16Å; Y219-F421 AromaticContact CG-CD2 3.54Å; Y219-F421 HydrophobicContact CG-CD2 3.54Å; Y219-F421 HydrophobicContact CG-CE2 4.28Å; Y219-F421 AromaticContact CG-CG 3.45Å; Y219-F421 HydrophobicContact CG-CG 3.45Å; Y219-F421 VanDerWaalsContact CG-CG 3.45Å; Y219-F421 AromaticContact CZ-CD1 3.95Å; I220-F421 HydrophobicContact CD1-CE2 3.95Å; I220-F421 HydrophobicContact CD1-CZ 3.67Å; I220-F421 HydrophobicContact CG1-CE2 4.13Å; I220-F421 HydrophobicContact CG1-CZ 4.35Å; Y351-F421 HydrophobicContact CE2-CE1 4.23Å; Y351-F421 HydrophobicContact CE2-CZ 4.36Å; L408-F421 HydrophobicContact CD1-CD1 3.65Å; L408-F421 HydrophobicContact CD1-CE1 3.37Å; F421-R424 PolarHBondContact O-N 2.74Å; F421-A425 VanDerWaalsContact O-CB 3.31Å; F421-A425 WeakPolarHBondContact O-CB 3.17Å; F421-A425 PolarHBondContact O-N 3.1Å
422	I	93.1	Very high	74.8	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-71.6	-48.2	176.3	-65.1	168.2	0	0	0	108.6	F216 L401 L404 Q405 D420 R424 A425 F426	F216-I422 HydrophobicContact CE2-CG1 4.44Å; L401-I422 HydrophobicContact CB-CG2 4.21Å; L401-I422 HydrophobicContact CD1-CG2 4.48Å; L401-I422 HydrophobicContact CD2-CD1 4.44Å; L401-I422 HydrophobicContact CD2-CG2 4.47Å; L401-I422 WeakPolarHBondContact O-CD1 3.12Å; L404-I422 HydrophobicContact CB-CD1 3.7Å; Q405-I422 HydrophobicContact CB-CD1 3.98Å; D420-I422 VanDerWaalsContact C-N 3.3Å; D420-I422 PolarHBondContact O-N 2.89Å; D420-I422 WeakPolarHBondContact OD1-CA 3.46Å; D420-I422 VanDerWaalsContact OD1-CB 3.26Å; D420-I422 WeakPolarHBondContact OD1-CB 3.12Å; D420-I422 PolarHBondContact OD1-N 2.76Å; I422-R424 PolarHBondContact O-N 2.87Å; I422-A425 PolarHBondContact O-N 2.93Å; I422-F426 HydrophobicContact CG2-CD2 4.12Å; I422-F426 PolarHBondContact O-N 2.78Å
423	T	92.4	Very high	77.2	Confident	9 Å²	9	44.5 Å²	44.5	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-56.5	-40.4	172.7	-58.5	0	0	0	0	110.6	Q405 C419 D420 R427	Q405-T423 PolarHBondContact NE2-OG1 2.88Å; Q405-T423 VanDerWaalsContact NE2-OG1 3.08Å; C419-T423 HydrophobicContact CB-CG2 3.93Å; C419-T423 VanDerWaalsContact SG-CB 3.59Å; C419-T423 WeakPolarHBondContact SG-CG2 3.3Å; D420-T423 PolarHBondContact O-N 2.81Å; D420-T423 PolarHBondContact OD1-N 2.89Å; D420-T423 PolarHBondContact OD1-OG1 3.15Å; D420-T423 PolarHBondContact OD2-OG1 2.89Å; T423-R427 HydrophobicContact CG2-CB 3.9Å; T423-R427 HydrophobicContact CG2-CG 4.3Å; T423-R427 WeakPolarHBondContact O-CB 3.35Å; T423-R427 PolarHBondContact O-N 2.92Å
424	R	91.3	Very high	79.7	Confident	129 Å²	129	39.9 Å²	39.9	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-70.8	-32.6	-179.2	-168	176.8	-58.6	133.7	9.1	113.2	C419 D420 F421 I422 R636	C419-R424 PolarHBondContact O-NH2 2.81Å; C419-R424 WeakPolarHBondContact SG-CA 3.21Å; C419-R424 PolarHBondContact SG-N 3.15Å; D420-R424 WeakPolarHBondContact O-CB 3.3Å; D420-R424 PolarHBondContact O-N 2.8Å; F421-R424 PolarHBondContact O-N 2.74Å; I422-R424 PolarHBondContact O-N 2.87Å; R424-R636 WeakPolarHBondContact O-CD 3.35Å
425	A	93.5	Very high	82.2	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-82.1	-50.8	-180	0	0	0	0	0	111.9	P215 F421 I422 R636 V637	P215-A425 HydrophobicContact CB-CB 4.04Å; F421-A425 VanDerWaalsContact O-CB 3.31Å; F421-A425 WeakPolarHBondContact O-CB 3.17Å; F421-A425 PolarHBondContact O-N 3.1Å; I422-A425 PolarHBondContact O-N 2.93Å; A425-R636 PolarHBondContact O-N 3.26Å; A425-V637 PolarHBondContact O-N 3.06Å
426	F	96.3	Very high	84.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-111.1	-9.5	-162.9	-60.9	-70.5	0	0	0	115.1	L210 T213 F216 L401 I422 Y450 P635 V637 R639 F781	L210-F426 HydrophobicContact CD2-CZ 4.05Å; T213-F426 HydrophobicContact CG2-CE1 4.17Å; T213-F426 HydrophobicContact CG2-CZ 4.01Å; F216-F426 HydrophobicContact CB-CE2 4.29Å; F216-F426 HydrophobicContact CB-CZ 4.23Å; F216-F426 AromaticContact CD2-CE2 3.75Å; F216-F426 HydrophobicContact CD2-CE2 3.75Å; F216-F426 HydrophobicContact CD2-CZ 4.31Å; F216-F426 HydrophobicContact CG-CE2 4.35Å; L401-F426 HydrophobicContact CD1-CD2 3.99Å; L401-F426 HydrophobicContact CD1-CE2 4.08Å; L401-F426 HydrophobicContact CD1-CG 4.49Å; L401-F426 HydrophobicContact CD2-CE2 4.25Å; I422-F426 HydrophobicContact CG2-CD2 4.12Å; I422-F426 PolarHBondContact O-N 2.78Å; F426-Y450 HydrophobicContact CB-CD1 4.12Å; F426-Y450 WeakPolarHBondContact O-CA 3.45Å; F426-P635 VanDerWaalsContact O-CB 3.3Å; F426-P635 WeakPolarHBondContact O-CB 3.22Å; F426-V637 HydrophobicContact CD1-CB 3.78Å; F426-V637 HydrophobicContact CD1-CG1 4.01Å; F426-V637 HydrophobicContact CE1-CB 3.75Å; F426-V637 HydrophobicContact CE1-CG1 3.63Å; F426-V637 HydrophobicContact CE1-CG2 4.41Å; F426-R639 HydrophobicContact CD1-CG 4.02Å; F426-R639 HydrophobicContact CE1-CG 4.29Å; F426-F781 HydrophobicContact CE1-CD1 4.41Å; F426-F781 HydrophobicContact CE1-CE1 4.01Å
427	R	94.8	Very high	87	Confident	67 Å²	67	35 Å²	35	25%	0.253	20%	0.201	S	C	.	.			trans	-85.9	121.5	-176.2	-169.3	177.2	174.4	-159.9	7.6	112.4	T423 Y429 P448 I449 Y450	T423-R427 HydrophobicContact CG2-CB 3.9Å; T423-R427 HydrophobicContact CG2-CG 4.3Å; T423-R427 WeakPolarHBondContact O-CB 3.35Å; T423-R427 PolarHBondContact O-N 2.92Å; R427-Y429 HydrophobicContact CG-CE2 4.45Å; R427-Y429 PolarHBondContact NH1-OH 2.87Å; R427-Y429 PolarHBondContact NH2-OH 3.25Å; R427-P448 HydrophobicContact CG-CB 4.2Å; R427-I449 CarbonylContact C-O 3.59Å; R427-I449 WeakPolarHBondContact CA-O 3.48Å; R427-Y450 HydrophobicContact CB-CD1 4.11Å; R427-Y450 HydrophobicContact CB-CE1 3.66Å; R427-Y450 HydrophobicContact CG-CE1 4.05Å
428	G	94.5	Very high	88.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-171.5	158.1	0	0	0	0	0	111.1	P448 I449 K633	G428-P448 WeakPolarHBondContact O-CA 3.35Å; G428-I449 PolarHBondContact N-O 3.07Å; G428-I449 PolarHBondContact O-N 2.73Å; G428-K633 CarbonylContact C-O 3.49Å; G428-K633 WeakPolarHBondContact CA-O 3.49Å
429	Y	93.6	Very high	90.7	Very high	56 Å²	56	31.1 Å²	31.1	22%	0.22	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143.5	173.7	-68.2	-103.5	0	0	0	110.3	R427 E446 E447 S632 K633	R427-Y429 HydrophobicContact CG-CE2 4.45Å; R427-Y429 PolarHBondContact NH1-OH 2.87Å; R427-Y429 PolarHBondContact NH2-OH 3.25Å; Y429-E446 HydrophobicContact CD1-CG 3.96Å; Y429-E447 WeakPolarHBondContact CA-O 3.18Å; Y429-S632 WeakPolarHBondContact CB-OG 3.49Å; Y429-S632 PolarHBondContact O-N 3.07Å; Y429-S632 PolarHBondContact O-OG 3.4Å; Y429-K633 HydrophobicContact CD2-CB 4Å; Y429-K633 HydrophobicContact CD2-CD 3.9Å; Y429-K633 HydrophobicContact CD2-CG 4.34Å; Y429-K633 HydrophobicContact CE2-CD 4.14Å; Y429-K633 PolarHBondContact N-O 3.22Å; Y429-K633 PolarHBondContact O-N 2.99Å
430	S	93.8	Very high	91.9	Very high	8 Å²	8	34 Å²	34	6%	0.056	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.7	172.9	64.1	0	0	0	0	110.5	E446 E447 I449 R630	S430-E446 CarbonylContact O-C 3.45Å; S430-E446 WeakPolarHBondContact O-CA 3.45Å; S430-E447 PolarHBondContact N-O 3.32Å; S430-E447 PolarHBondContact O-N 2.93Å; S430-I449 VanDerWaalsContact OG-CG2 3.27Å; S430-I449 WeakPolarHBondContact OG-CG2 3.44Å; S430-R630 CarbonylContact C-O 3.59Å; S430-R630 WeakPolarHBondContact CA-O 3.37Å; S430-R630 WeakPolarHBondContact CB-O 3.49Å
431	V	92	Very high	92.1	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.7	171.5	-177.2	0	0	0	0	108.8	H433 C444 T445 E446 R630 L672	V431-H433 VanDerWaalsContact CG1-CE1 3.47Å; V431-H433 WeakPolarHBondContact CG1-CE1 3.35Å; V431-C444 HydrophobicContact CG1-CB 3.94Å; V431-T445 WeakPolarHBondContact CA-O 3.3Å; V431-E446 HydrophobicContact CG2-CB 4.17Å; V431-E446 HydrophobicContact CG2-CG 4.13Å; V431-R630 PolarHBondContact N-O 3.11Å; V431-R630 PolarHBondContact O-N 2.97Å; V431-L672 HydrophobicContact CB-CD1 4.14Å; V431-L672 HydrophobicContact CG2-CD1 3.78Å
432	S	90	Very high	92	Very high	5 Å²	5	36.6 Å²	36.6	4%	0.035	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.9	169.4	175.2	0	0	0	0	109.1	C444 T445 Q627	S432-C444 WeakPolarHBondContact O-CA 3.48Å; S432-T445 PolarHBondContact N-O 3.09Å; S432-T445 PolarHBondContact O-N 2.8Å; S432-Q627 PolarHBondContact OG-NE2 2.9Å
433	H	89.6	Confident	91.8	Very high	18 Å²	18	37.4 Å²	37.4	8%	0.083	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.4	171.3	-66.1	69.2	0	0	0	108.8	V431 T442 C444 Q627 T628 C680	V431-H433 VanDerWaalsContact CG1-CE1 3.47Å; V431-H433 WeakPolarHBondContact CG1-CE1 3.35Å; H433-T442 HydrophobicContact CB-CG2 4.1Å; H433-C444 VanDerWaalsContact CD2-SG 3.5Å; H433-Q627 CarbonylContact O-C 3.59Å; H433-Q627 VanDerWaalsContact O-CA 3.27Å; H433-Q627 WeakPolarHBondContact O-CA 3.34Å; H433-T628 PolarHBondContact N-O 2.8Å; H433-T628 PolarHBondContact O-N 3.22Å; H433-C680 VanDerWaalsContact CE1-SG 3.51Å; H433-C680 PolarHBondContact NE2-SG 2.92Å
434	I	91.4	Very high	91.6	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	105.6	176.6	-61	172	0	0	0	108.5	T442 A443 I483 Y488 I535 A625 T626 Q627	I434-T442 CarbonylContact O-C 3.5Å; I434-T442 VanDerWaalsContact O-CA 3.31Å; I434-T442 WeakPolarHBondContact O-CA 3.14Å; I434-A443 PolarHBondContact N-O 3.22Å; I434-A443 PolarHBondContact O-N 3.02Å; I434-I483 HydrophobicContact CD1-CD1 4.4Å; I434-I483 HydrophobicContact CG1-CD1 4.22Å; I434-I483 HydrophobicContact CG2-CD1 3.75Å; I434-Y488 HydrophobicContact CG2-CD1 4.31Å; I434-Y488 HydrophobicContact CG2-CD2 4.11Å; I434-Y488 HydrophobicContact CG2-CE1 3.85Å; I434-Y488 HydrophobicContact CG2-CE2 3.67Å; I434-Y488 HydrophobicContact CG2-CG 4.41Å; I434-I535 HydrophobicContact CD1-CD1 4.21Å; I434-A625 HydrophobicContact CG2-CB 3.74Å; I434-T626 CarbonylContact C-O 3.59Å; I434-T626 WeakPolarHBondContact CA-O 3.46Å; I434-Q627 HydrophobicContact CG1-CB 4.48Å; I434-Q627 HydrophobicContact CG1-CG 4.1Å
435	Q	91.5	Very high	91.5	Very high	85 Å²	85	34.7 Å²	34.7	40%	0.397	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.1	177.3	-170.7	-179	9	0	0	110.1	S437 A625 T626	Q435-S437 PolarHBondContact O-N 3.32Å; Q435-A625 CarbonylContact O-C 3.55Å; Q435-A625 WeakPolarHBondContact O-CA 3.4Å; Q435-A625 VanDerWaalsContact O-CB 3.23Å; Q435-A625 WeakPolarHBondContact O-CB 3.35Å; Q435-T626 PolarHBondContact N-O 2.92Å; Q435-T626 PolarHBondContact O-N 2.81Å
436	C	92.7	Very high	91.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.4	175.4	-179.6	0	0	0	0	111	T438 H440 V441 Y488 C490	C436-T438 PolarHBondContact O-N 3.09Å; C436-T438 PolarHBondContact SG-N 3.39Å; C436-T438 VanDerWaalsContact SG-N 3.38Å; C436-H440 WeakPolarHBondContact O-CA 3.2Å; C436-H440 PolarHBondContact O-N 3.28Å; C436-V441 PolarHBondContact N-O 3.32Å; C436-Y488 HydrophobicContact CB-CE1 4.33Å; C436-C490 HydrophobicContact CB-CB 4.06Å
437	S	93.3	Very high	91	Very high	58 Å²	58	41.4 Å²	41.4	41%	0.406	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.7	178.6	-54.1	0	0	0	0	113.3	Q435 H624 A625	Q435-S437 PolarHBondContact O-N 3.32Å; S437-H624 WeakPolarHBondContact CB-O 3.28Å; S437-H624 PolarHBondContact N-O 2.87Å; S437-H624 PolarHBondContact OG-O 3.46Å; S437-A625 WeakPolarHBondContact OG-CA 3.3Å; S437-A625 PolarHBondContact OG-N 2.91Å
438	T	90.3	Very high	91	Very high	98 Å²	98	41.3 Å²	41.3	60%	0.601	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-51.9	-177.4	-51.9	0	0	0	0	112.7	C436	C436-T438 PolarHBondContact O-N 3.09Å; C436-T438 PolarHBondContact SG-N 3.39Å; C436-T438 VanDerWaalsContact SG-N 3.38Å
439	C	91.3	Very high	91	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.135	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	0.1	-176.9	70.7	0	0	0	0	114	V441 C490 K492	C439-V441 PolarHBondContact O-N 2.86Å; C439-C490 PolarHBondContact SG-SG 2.9Å; C439-K492 HydrophobicContact CB-CD 4.33Å
440	H	90.9	Very high	91	Very high	113 Å²	113	42.7 Å²	42.7	52%	0.523	24%	0.236	S	C	.	.			trans	57.7	7.3	-179.8	-58.3	-63.2	0	0	0	116.6	C436 T442	C436-H440 WeakPolarHBondContact O-CA 3.2Å; C436-H440 PolarHBondContact O-N 3.28Å; H440-T442 PolarHBondContact O-N 3.27Å
441	V	88.6	Confident	91.2	Very high	35 Å²	35	43.3 Å²	43.3	21%	0.212	24%	0.238	C	C	.	.			trans	-67.5	131.7	172.2	170.8	0	0	0	0	110.1	C436 C439 K492	C436-V441 PolarHBondContact N-O 3.32Å; C439-V441 PolarHBondContact O-N 2.86Å; V441-K492 HydrophobicContact CB-CD 4.5Å; V441-K492 HydrophobicContact CG2-CB 4.42Å; V441-K492 HydrophobicContact CG2-CD 3.38Å
442	T	87.6	Confident	91.4	Very high	51 Å²	51	42.9 Å²	42.9	31%	0.313	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129	174	-56.6	0	0	0	0	109.9	H433 I434 H440	H433-T442 HydrophobicContact CB-CG2 4.1Å; I434-T442 CarbonylContact O-C 3.5Å; I434-T442 VanDerWaalsContact O-CA 3.31Å; I434-T442 WeakPolarHBondContact O-CA 3.14Å; H440-T442 PolarHBondContact O-N 3.27Å
443	A	88.5	Confident	91.7	Very high	17 Å²	17	42.9 Å²	42.9	14%	0.14	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.3	170	0	0	0	0	0	109.7	I434 V529	I434-A443 PolarHBondContact N-O 3.22Å; I434-A443 PolarHBondContact O-N 3.02Å; A443-V529 HydrophobicContact CB-CG2 3.5Å
444	C	88.8	Confident	92.1	Very high	47 Å²	47	42 Å²	42	32%	0.318	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.1	-177.1	-64.3	0	0	0	0	110.5	V431 S432 H433	V431-C444 HydrophobicContact CG1-CB 3.94Å; S432-C444 WeakPolarHBondContact O-CA 3.48Å; H433-C444 VanDerWaalsContact CD2-SG 3.5Å
445	T	88.7	Confident	92.2	Very high	34 Å²	34	44.5 Å²	44.5	21%	0.209	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.8	174	-54.5	0	0	0	0	109.4	V431 S432 E447	V431-T445 WeakPolarHBondContact CA-O 3.3Å; S432-T445 PolarHBondContact N-O 3.09Å; S432-T445 PolarHBondContact O-N 2.8Å; T445-E447 HydrophobicContact CG2-CG 4.02Å
446	E	89.7	Confident	92.4	Very high	112 Å²	112	41.1 Å²	41.1	52%	0.523	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.2	173.3	-170.2	177.4	-127	0	0	111.1	Y429 S430 V431 S632	Y429-E446 HydrophobicContact CD1-CG 3.96Å; S430-E446 CarbonylContact O-C 3.45Å; S430-E446 WeakPolarHBondContact O-CA 3.45Å; V431-E446 HydrophobicContact CG2-CB 4.17Å; V431-E446 HydrophobicContact CG2-CG 4.13Å; E446-S632 WeakPolarHBondContact OE1-CB 3.48Å; E446-S632 PolarHBondContact OE1-OG 3.41Å
447	E	89.9	Confident	92.3	Very high	30 Å²	30	42 Å²	42	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.8	-177.3	-62.2	-175.1	170.5	0	0	111.3	Y429 S430 T445 S534	Y429-E447 WeakPolarHBondContact CA-O 3.18Å; S430-E447 PolarHBondContact N-O 3.32Å; S430-E447 PolarHBondContact O-N 2.93Å; T445-E447 HydrophobicContact CG2-CG 4.02Å; E447-S534 WeakPolarHBondContact OE1-CB 3.15Å; E447-S534 PolarHBondContact OE1-OG 3.41Å
448	P	93.7	Very high	92	Very high	65 Å²	65	44.5 Å²	44.5	42%	0.422	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.9	173.9	31.7	-35.5	0	0	0	110.8	R427 G428 Y450	R427-P448 HydrophobicContact CG-CB 4.2Å; G428-P448 WeakPolarHBondContact O-CA 3.35Å; P448-Y450 HydrophobicContact CB-CE2 4.28Å
449	I	94.3	Very high	91.7	Very high	20 Å²	20	45.5 Å²	45.5	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.7	173.2	55.6	162.8	0	0	0	109.7	R427 G428 S430 L452 L631	R427-I449 CarbonylContact C-O 3.59Å; R427-I449 WeakPolarHBondContact CA-O 3.48Å; G428-I449 PolarHBondContact N-O 3.07Å; G428-I449 PolarHBondContact O-N 2.73Å; S430-I449 VanDerWaalsContact OG-CG2 3.27Å; S430-I449 WeakPolarHBondContact OG-CG2 3.44Å; I449-L452 HydrophobicContact CD1-CD2 3.7Å; I449-L631 HydrophobicContact CD1-CD2 3.63Å
450	Y	95.4	Very high	91.4	Very high	66 Å²	66	44.8 Å²	44.8	26%	0.259	24%	0.244	S	C	.	.	S	Bend	trans	-115.8	-13.7	173.3	-65.1	-90.3	0	0	0	112	F426 R427 P448 R639	F426-Y450 HydrophobicContact CB-CD1 4.12Å; F426-Y450 WeakPolarHBondContact O-CA 3.45Å; R427-Y450 HydrophobicContact CB-CD1 4.11Å; R427-Y450 HydrophobicContact CB-CE1 3.66Å; R427-Y450 HydrophobicContact CG-CE1 4.05Å; P448-Y450 HydrophobicContact CB-CE2 4.28Å; Y450-R639 VanDerWaalsContact C-NH2 3.34Å; Y450-R639 VanDerWaalsContact CB-NH2 3.31Å; Y450-R639 PolarHBondContact O-NE 3.36Å; Y450-R639 PolarHBondContact O-NH2 2.94Å
451	E	96.8	Very high	91	Very high	21 Å²	21	43 Å²	43	10%	0.098	24%	0.235	C	C	.	.			trans	-156.1	145.4	-178.9	-176.8	-170.2	-108.2	0	0	108.8	Q394 S453 R639 H641	Q394-E451 VanDerWaalsContact CG-OE1 3.3Å; Q394-E451 WeakPolarHBondContact CG-OE1 3.4Å; Q394-E451 PolarHBondContact NE2-OE1 3.35Å; Q394-E451 PolarHBondContact NE2-OE2 3.37Å; E451-S453 PolarHBondContact OE2-OG 2.88Å; E451-R639 WeakPolarHBondContact CA-O 3.4Å; E451-R639 HydrophobicContact CB-CB 4.32Å; E451-R639 HydrophobicContact CG-CB 4.13Å; E451-H641 VanDerWaalsContact CD-CB 3.4Å; E451-H641 HydrophobicContact CG-CB 4.01Å; E451-H641 WeakPolarHBondContact OE1-CB 3.39Å; E451-H641 IonicContact OE2-ND1 3.45Å
452	L	96.8	Very high	90.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	105.7	166	-54.4	-177.2	0	0	0	108.6	I449 L454 L474 F477 L631 L638 R639 L640 H641	I449-L452 HydrophobicContact CD1-CD2 3.7Å; L452-L454 HydrophobicContact CB-CD2 4.17Å; L452-L474 HydrophobicContact CD1-CD2 3.8Å; L452-F477 HydrophobicContact CD2-CE1 3.84Å; L452-F477 HydrophobicContact CD2-CZ 3.88Å; L452-L631 HydrophobicContact CD1-CD1 4.25Å; L452-L631 HydrophobicContact CD2-CD2 4.19Å; L452-L638 HydrophobicContact CD1-CD1 3.96Å; L452-L638 HydrophobicContact CG-CD1 4.23Å; L452-R639 PolarHBondContact N-O 3.25Å; L452-L640 HydrophobicContact CB-CD2 3.8Å; L452-L640 HydrophobicContact CD1-CD2 3.85Å; L452-L640 HydrophobicContact CG-CD2 4.14Å; L452-L640 WeakPolarHBondContact O-CA 3.41Å; L452-H641 PolarHBondContact O-N 2.83Å
453	S	96.5	Very high	90.1	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	111.4	172.2	-71.9	0	0	0	0	110.3	E451 H641	E451-S453 PolarHBondContact OE2-OG 2.88Å; S453-H641 CarbonylContact C-O 3.58Å; S453-H641 WeakPolarHBondContact CA-O 3.39Å; S453-H641 PolarHBondContact OG-ND1 2.73Å
454	L	97.3	Very high	89.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.8	-173.1	-52.7	178.2	0	0	0	110.9	L452 I470 L473 L474 F477 L640 H641 K643	L452-L454 HydrophobicContact CB-CD2 4.17Å; L454-I470 HydrophobicContact CD1-CD1 3.5Å; L454-I470 VanDerWaalsContact CD1-CD1 3.5Å; L454-I470 HydrophobicContact CD1-CG1 4.19Å; L454-L473 HydrophobicContact CB-CB 4.16Å; L454-L473 HydrophobicContact CB-CD1 4.45Å; L454-L473 HydrophobicContact CD1-CB 4.06Å; L454-L474 HydrophobicContact CD1-CD2 4.22Å; L454-L474 HydrophobicContact CD1-CG 4.23Å; L454-L474 HydrophobicContact CD2-CD2 3.96Å; L454-F477 HydrophobicContact CD2-CB 3.69Å; L454-F477 HydrophobicContact CD2-CD2 3.96Å; L454-F477 HydrophobicContact CD2-CG 3.9Å; L454-L640 HydrophobicContact CD1-CB 4.36Å; L454-H641 PolarHBondContact N-O 2.67Å; L454-K643 WeakPolarHBondContact O-CB 3.42Å; L454-K643 PolarHBondContact O-N 3.34Å
455	S	94.7	Very high	88.9	Confident	57 Å²	57	50.7 Å²	50.7	40%	0.399	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136.1	177.3	-63.7	0	0	0	0	111
456	L	94.1	Very high	88.8	Confident	13 Å²	13	50.2 Å²	50.2	7%	0.068	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-75.5	143.4	171.9	-73.6	165.7	0	0	0	111	F468 L473 I642 R644 L655 V659	L456-F468 HydrophobicContact CD2-CD2 3.69Å; L456-F468 HydrophobicContact CD2-CE2 4.13Å; L456-L473 HydrophobicContact CD2-CD1 4.04Å; L456-I642 HydrophobicContact CD1-CG2 3.98Å; L456-I642 HydrophobicContact CD2-CG2 4.02Å; L456-I642 HydrophobicContact CG-CG2 3.91Å; L456-R644 HydrophobicContact CD1-CG 4.15Å; L456-L655 HydrophobicContact CB-CD1 3.9Å; L456-L655 HydrophobicContact CD1-CB 3.72Å; L456-L655 HydrophobicContact CD1-CD1 3.72Å; L456-L655 HydrophobicContact CD1-CG 4.38Å; L456-L655 HydrophobicContact CG-CD1 4.46Å; L456-V659 HydrophobicContact CD2-CG2 3.65Å
457	P	91.5	Very high	88.9	Confident	19 Å²	19	49.6 Å²	49.6	12%	0.123	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-61.9	145.2	176.3	-25.2	34.7	0	0	0	112.8	K459 C460 F468 L473	P457-K459 HydrophobicContact CB-CD 4.25Å; P457-K459 HydrophobicContact CB-CG 3.62Å; P457-K459 PolarHBondContact O-N 3.28Å; P457-K459 VanDerWaalsContact O-N 3.07Å; P457-C460 PolarHBondContact O-N 3.4Å; P457-C460 PolarHBondContact O-SG 3.09Å; P457-F468 HydrophobicContact CB-CE1 4.37Å; P457-F468 HydrophobicContact CB-CZ 4.29Å; P457-F468 HydrophobicContact CG-CD1 4.13Å; P457-F468 HydrophobicContact CG-CE1 4.1Å; P457-F468 HydrophobicContact CG-CG 4.43Å; P457-F468 HydrophobicContact CG-CZ 4.24Å; P457-L473 HydrophobicContact CG-CD2 4.11Å
458	T	87.2	Confident	89.1	Confident	110 Å²	110	48.7 Å²	48.7	68%	0.675	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-61.4	-21.4	-178.4	53.5	0	0	0	0	114.3	C460 H461	T458-C460 PolarHBondContact O-N 3.41Å; T458-H461 WeakPolarHBondContact O-CB 3.31Å; T458-H461 PolarHBondContact O-N 3.08Å
459	K	83.8	Confident	89.2	Confident	120 Å²	120	48.3 Å²	48.3	52%	0.522	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-54.5	-32.4	174.8	44.9	171.3	165.5	166.3	0	114	P457 H461 S462 F468	P457-K459 HydrophobicContact CB-CD 4.25Å; P457-K459 HydrophobicContact CB-CG 3.62Å; P457-K459 PolarHBondContact O-N 3.28Å; P457-K459 VanDerWaalsContact O-N 3.07Å; K459-H461 PolarHBondContact O-N 3.34Å; K459-S462 PolarHBondContact O-OG 3.45Å; K459-F468 HydrophobicContact CD-CE1 3.56Å; K459-F468 HydrophobicContact CD-CZ 4.07Å; K459-F468 HydrophobicContact CG-CE1 3.9Å; K459-F468 HydrophobicContact CG-CZ 3.88Å
460	C	83.7	Confident	89.4	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.034	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-77.9	-2.4	177.1	65.3	0	0	0	0	114.7	P457 T458 S462 C466 F468 C657	P457-C460 PolarHBondContact O-N 3.4Å; P457-C460 PolarHBondContact O-SG 3.09Å; T458-C460 PolarHBondContact O-N 3.41Å; C460-S462 VanDerWaalsContact C-N 3.3Å; C460-C466 HydrophobicContact CB-CB 4.26Å; C460-F468 HydrophobicContact CB-CE2 3.6Å; C460-F468 HydrophobicContact CB-CZ 3.68Å; C460-C657 HydrophobicContact CB-CB 3.96Å
461	H	84.5	Confident	89.4	Confident	74 Å²	74	45.5 Å²	45.5	34%	0.343	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-71.9	-28.1	175.7	-61.4	171	0	0	0	112.3	T458 K459	T458-H461 WeakPolarHBondContact O-CB 3.31Å; T458-H461 PolarHBondContact O-N 3.08Å; K459-H461 PolarHBondContact O-N 3.34Å
462	S	78.7	Confident	89.4	Confident	115 Å²	115	48.4 Å²	48.4	80%	0.804	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-26.8	179.3	50.1	0	0	0	0	113.2	K459 C460	K459-S462 PolarHBondContact O-OG 3.45Å; C460-S462 VanDerWaalsContact C-N 3.3Å
463	D	77.7	Confident	89.4	Confident	67 Å²	67	48.5 Å²	48.5	36%	0.358	28%	0.28	S	S	.	.			trans	-127.3	102.6	-174.9	178.8	18.1	0	0	0	111	S465 C466	D463-S465 VanDerWaalsContact CG-OG 3.24Å; D463-S465 PolarHBondContact O-N 3.26Å; D463-S465 VanDerWaalsContact OD1-CB 3.27Å; D463-S465 WeakPolarHBondContact OD1-CB 3.34Å; D463-S465 PolarHBondContact OD1-N 3.09Å; D463-S465 PolarHBondContact OD1-OG 3.46Å; D463-S465 PolarHBondContact OD2-OG 3Å; D463-C466 WeakPolarHBondContact O-CB 3.34Å; D463-C466 PolarHBondContact O-N 2.86Å; D463-C466 PolarHBondContact OD2-SG 3.36Å
464	E	73	Confident	89.5	Confident	57 Å²	57	48.3 Å²	48.3	27%	0.266	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.3	176	-66.2	-170.5	172.8	0	0	112.6	C466 R737	E464-C466 VanDerWaalsContact C-N 3.29Å; E464-C466 PolarHBondContact O-N 3.41Å; E464-R737 IonicContact OE1-NH1 3.42Å; E464-R737 PolarHBondContact OE1-NH1 3.14Å
465	S	79.7	Confident	89.4	Confident	74 Å²	74	53.2 Å²	53.2	52%	0.517	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.9	-179.5	78.6	0	0	0	0	113.7	D463 T467	D463-S465 VanDerWaalsContact CG-OG 3.24Å; D463-S465 PolarHBondContact O-N 3.26Å; D463-S465 VanDerWaalsContact OD1-CB 3.27Å; D463-S465 WeakPolarHBondContact OD1-CB 3.34Å; D463-S465 PolarHBondContact OD1-N 3.09Å; D463-S465 PolarHBondContact OD1-OG 3.46Å; D463-S465 PolarHBondContact OD2-OG 3Å; S465-T467 PolarHBondContact O-N 3.07Å
466	C	86.2	Confident	89.4	Confident	24 Å²	24	54.4 Å²	54.4	16%	0.162	30%	0.296	C	S	.	.			trans	-56.2	136.3	175.1	-80.4	0	0	0	0	111.7	C460 D463 E464 F468 C657	C460-C466 HydrophobicContact CB-CB 4.26Å; D463-C466 WeakPolarHBondContact O-CB 3.34Å; D463-C466 PolarHBondContact O-N 2.86Å; D463-C466 PolarHBondContact OD2-SG 3.36Å; E464-C466 VanDerWaalsContact C-N 3.29Å; E464-C466 PolarHBondContact O-N 3.41Å; C466-F468 HydrophobicContact CB-CE1 4.12Å; C466-F468 HydrophobicContact CB-CE2 4.37Å; C466-F468 HydrophobicContact CB-CZ 3.72Å; C466-C657 WeakPolarHBondContact O-CB 3.15Å
467	T	91.5	Very high	89.4	Confident	98 Å²	98	54.8 Å²	54.8	60%	0.601	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.9	170.7	59.1	0	0	0	0	110.3	S465 H658	S465-T467 PolarHBondContact O-N 3.07Å; T467-H658 WeakPolarHBondContact CA-O 3.3Å; T467-H658 HydrophobicContact CG2-CB 4.25Å
468	F	95	Very high	89.5	Confident	12 Å²	12	54.5 Å²	54.5	5%	0.053	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	166.1	177.9	-53.4	-55.7	0	0	0	111.9	L456 P457 K459 C460 C466 L473 C657 H658 V659 S660	L456-F468 HydrophobicContact CD2-CD2 3.69Å; L456-F468 HydrophobicContact CD2-CE2 4.13Å; P457-F468 HydrophobicContact CB-CE1 4.37Å; P457-F468 HydrophobicContact CB-CZ 4.29Å; P457-F468 HydrophobicContact CG-CD1 4.13Å; P457-F468 HydrophobicContact CG-CE1 4.1Å; P457-F468 HydrophobicContact CG-CG 4.43Å; P457-F468 HydrophobicContact CG-CZ 4.24Å; K459-F468 HydrophobicContact CD-CE1 3.56Å; K459-F468 HydrophobicContact CD-CZ 4.07Å; K459-F468 HydrophobicContact CG-CE1 3.9Å; K459-F468 HydrophobicContact CG-CZ 3.88Å; C460-F468 HydrophobicContact CB-CE2 3.6Å; C460-F468 HydrophobicContact CB-CZ 3.68Å; C466-F468 HydrophobicContact CB-CE1 4.12Å; C466-F468 HydrophobicContact CB-CE2 4.37Å; C466-F468 HydrophobicContact CB-CZ 3.72Å; F468-L473 HydrophobicContact CB-CD2 4.4Å; F468-C657 HydrophobicContact CD2-CB 4.39Å; F468-C657 HydrophobicContact CE2-CB 3.99Å; F468-H658 PolarHBondContact N-O 2.7Å; F468-V659 HydrophobicContact CB-CG2 4.36Å; F468-V659 HydrophobicContact CD2-CG2 4.47Å; F468-V659 CarbonylContact O-C 3.59Å; F468-V659 WeakPolarHBondContact O-CA 3.44Å; F468-S660 PolarHBondContact O-N 3.38Å; F468-S660 PolarHBondContact O-OG 3.39Å
469	D	95.5	Very high	89.7	Confident	56 Å²	56	51.6 Å²	51.6	30%	0.299	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.7	170.4	-169.3	-28.9	0	0	0	109.2	V471 D472 L473 S660	D469-V471 PolarHBondContact O-N 2.73Å; D469-V471 WeakPolarHBondContact OD1-CB 3.36Å; D469-V471 WeakPolarHBondContact OD1-CG2 3.32Å; D469-V471 PolarHBondContact OD1-N 3.19Å; D469-D472 HydrophobicContact CB-CB 4.38Å; D469-D472 WeakPolarHBondContact O-CB 3Å; D469-D472 PolarHBondContact O-N 3.04Å; D469-L473 WeakPolarHBondContact O-CG 3.29Å; D469-L473 PolarHBondContact O-N 3.4Å; D469-S660 WeakPolarHBondContact CA-OG 3.37Å
470	I	97.3	Very high	90.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-55.9	-32.5	174.5	-162.3	68.3	0	0	0	111.9	L454 L473 L474 L640 I642 V659 S660 F661 P662 L780	L454-I470 HydrophobicContact CD1-CD1 3.5Å; L454-I470 VanDerWaalsContact CD1-CD1 3.5Å; L454-I470 HydrophobicContact CD1-CG1 4.19Å; I470-L473 HydrophobicContact CD1-CD1 4.35Å; I470-L473 PolarHBondContact O-N 2.98Å; I470-L474 WeakPolarHBondContact O-CG 2.85Å; I470-L474 PolarHBondContact O-N 3.39Å; I470-L640 HydrophobicContact CD1-CD1 4.34Å; I470-L640 HydrophobicContact CG1-CD1 3.86Å; I470-I642 HydrophobicContact CD1-CD1 4.01Å; I470-I642 HydrophobicContact CD1-CG1 4.16Å; I470-V659 HydrophobicContact CB-CG1 4.19Å; I470-V659 HydrophobicContact CD1-CG1 4.16Å; I470-S660 WeakPolarHBondContact CB-O 3.36Å; I470-S660 PolarHBondContact N-O 3.11Å; I470-F661 HydrophobicContact CB-CB 4.15Å; I470-F661 HydrophobicContact CG2-CB 3.88Å; I470-P662 VanDerWaalsContact CG2-CD 3.46Å; I470-L780 HydrophobicContact CD1-CD1 4.21Å
471	V	96.7	Very high	90.5	Very high	27 Å²	27	51.3 Å²	51.3	16%	0.164	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-40.7	176.9	-178.6	0	0	0	0	110.3	D469 L473 L474 R475 L665 F670	D469-V471 PolarHBondContact O-N 2.73Å; D469-V471 WeakPolarHBondContact OD1-CB 3.36Å; D469-V471 WeakPolarHBondContact OD1-CG2 3.32Å; D469-V471 PolarHBondContact OD1-N 3.19Å; V471-L473 VanDerWaalsContact C-N 3.35Å; V471-L474 WeakPolarHBondContact O-CB 3.24Å; V471-L474 PolarHBondContact O-N 3.26Å; V471-R475 WeakPolarHBondContact O-CG 3.4Å; V471-R475 PolarHBondContact O-N 3.42Å; V471-L665 HydrophobicContact CG2-CD1 3.96Å; V471-F670 HydrophobicContact CG1-CZ 4.03Å
472	D	96.5	Very high	90.8	Very high	82 Å²	82	53.2 Å²	53.2	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-68.6	-34.9	175.2	-69.5	-25.8	0	0	0	112	D469 L474 R475 Q476	D469-D472 HydrophobicContact CB-CB 4.38Å; D469-D472 WeakPolarHBondContact O-CB 3Å; D469-D472 PolarHBondContact O-N 3.04Å; D472-L474 VanDerWaalsContact C-N 3.31Å; D472-R475 WeakPolarHBondContact O-CB 3.43Å; D472-R475 PolarHBondContact O-N 3.43Å; D472-R475 IonicContact OD1-CZ 3.3Å; D472-R475 IonicContact OD1-NH1 3.89Å; D472-R475 PolarHBondContact OD1-NH1 3.11Å; D472-Q476 WeakPolarHBondContact O-CB 3.34Å; D472-Q476 PolarHBondContact O-N 2.98Å
473	L	97.3	Very high	91.3	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-35.8	172.8	-58.8	-170.7	0	0	0	111.8	L454 L456 P457 F468 D469 I470 V471 Q476 F477 V659	L454-L473 HydrophobicContact CB-CB 4.16Å; L454-L473 HydrophobicContact CB-CD1 4.45Å; L454-L473 HydrophobicContact CD1-CB 4.06Å; L456-L473 HydrophobicContact CD2-CD1 4.04Å; P457-L473 HydrophobicContact CG-CD2 4.11Å; F468-L473 HydrophobicContact CB-CD2 4.4Å; D469-L473 WeakPolarHBondContact O-CG 3.29Å; D469-L473 PolarHBondContact O-N 3.4Å; I470-L473 HydrophobicContact CD1-CD1 4.35Å; I470-L473 PolarHBondContact O-N 2.98Å; V471-L473 VanDerWaalsContact C-N 3.35Å; L473-Q476 PolarHBondContact O-N 3.03Å; L473-F477 WeakPolarHBondContact O-CB 3.43Å; L473-F477 PolarHBondContact O-N 3.29Å; L473-V659 HydrophobicContact CD1-CG1 3.86Å; L473-V659 HydrophobicContact CD1-CG2 4.22Å
474	L	96.9	Very high	91.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-41.7	172.6	-74.1	165	0	0	0	111.6	L452 L454 I470 V471 D472 Q476 F477 V478 L640 L665 M667 F670	L452-L474 HydrophobicContact CD1-CD2 3.8Å; L454-L474 HydrophobicContact CD1-CD2 4.22Å; L454-L474 HydrophobicContact CD1-CG 4.23Å; L454-L474 HydrophobicContact CD2-CD2 3.96Å; I470-L474 WeakPolarHBondContact O-CG 2.85Å; I470-L474 PolarHBondContact O-N 3.39Å; V471-L474 WeakPolarHBondContact O-CB 3.24Å; V471-L474 PolarHBondContact O-N 3.26Å; D472-L474 VanDerWaalsContact C-N 3.31Å; L474-Q476 VanDerWaalsContact C-N 3.33Å; L474-Q476 PolarHBondContact O-N 3.12Å; L474-F477 WeakPolarHBondContact O-CB 3.35Å; L474-F477 PolarHBondContact O-N 3.33Å; L474-V478 PolarHBondContact O-N 2.83Å; L474-L640 HydrophobicContact CD2-CD2 4.14Å; L474-L665 HydrophobicContact CD1-CD1 4.22Å; L474-L665 HydrophobicContact CD1-CD2 4.21Å; L474-M667 HydrophobicContact CD1-SD 4Å; L474-M667 HydrophobicContact CD2-CE 4.44Å; L474-F670 HydrophobicContact CB-CD1 4.19Å; L474-F670 HydrophobicContact CB-CD2 4.35Å; L474-F670 HydrophobicContact CB-CE1 3.69Å; L474-F670 HydrophobicContact CB-CE2 3.87Å; L474-F670 HydrophobicContact CB-CZ 3.52Å; L474-F670 HydrophobicContact CD1-CD2 4.36Å; L474-F670 HydrophobicContact CD1-CE2 3.87Å; L474-F670 HydrophobicContact CD1-CZ 4.28Å; L474-F670 HydrophobicContact CG-CE2 4.47Å
475	R	96.1	Very high	92	Very high	103 Å²	103	47.5 Å²	47.5	39%	0.389	28%	0.278	S	S	.	.	H	α-helix	trans	-58.1	-45	172.1	-72.2	178.4	-178.1	130.1	5.1	111.6	V471 D472 F477 V478 S479 E669 F670	V471-R475 WeakPolarHBondContact O-CG 3.4Å; V471-R475 PolarHBondContact O-N 3.42Å; D472-R475 WeakPolarHBondContact O-CB 3.43Å; D472-R475 PolarHBondContact O-N 3.43Å; D472-R475 IonicContact OD1-CZ 3.3Å; D472-R475 IonicContact OD1-NH1 3.89Å; D472-R475 PolarHBondContact OD1-NH1 3.11Å; R475-F477 VanDerWaalsContact C-N 3.3Å; R475-F477 PolarHBondContact O-N 2.81Å; R475-V478 WeakPolarHBondContact O-CG2 3.41Å; R475-V478 PolarHBondContact O-N 3.47Å; R475-S479 WeakPolarHBondContact O-CB 3.36Å; R475-S479 PolarHBondContact O-N 3.38Å; R475-E669 WeakPolarHBondContact CG-OE1 3.31Å; R475-E669 IonicContact CZ-OE1 3.97Å; R475-E669 IonicContact CZ-OE2 3.72Å; R475-E669 IonicContact NE-OE1 3.34Å; R475-E669 PolarHBondContact NE-OE1 3.25Å; R475-E669 IonicContact NE-OE2 2.81Å; R475-E669 PolarHBondContact NE-OE2 2.73Å; R475-E669 IonicContact NH2-OE1 3.45Å; R475-E669 IonicContact NH2-OE2 3.69Å; R475-E669 PolarHBondContact NH2-OE2 3.3Å; R475-F670 HydrophobicContact CB-CE1 4.48Å; R475-F670 HydrophobicContact CG-CE1 3.76Å; R475-F670 HydrophobicContact CG-CZ 4.25Å
476	Q	94.4	Very high	92.2	Very high	82 Å²	82	47.4 Å²	47.4	38%	0.383	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-35.1	174	-175.2	-177.4	-17.5	0	0	112	D472 L473 L474 S479	D472-Q476 WeakPolarHBondContact O-CB 3.34Å; D472-Q476 PolarHBondContact O-N 2.98Å; L473-Q476 PolarHBondContact O-N 3.03Å; L474-Q476 VanDerWaalsContact C-N 3.33Å; L474-Q476 PolarHBondContact O-N 3.12Å; Q476-S479 PolarHBondContact O-N 2.9Å; Q476-S479 PolarHBondContact O-OG 3.3Å
477	F	94.1	Very high	92.1	Very high	22 Å²	22	48.2 Å²	48.2	10%	0.096	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-38.9	177.9	177.6	-91.7	0	0	0	112.4	L452 L454 L473 L474 R475 R539 I629	L452-F477 HydrophobicContact CD2-CE1 3.84Å; L452-F477 HydrophobicContact CD2-CZ 3.88Å; L454-F477 HydrophobicContact CD2-CB 3.69Å; L454-F477 HydrophobicContact CD2-CD2 3.96Å; L454-F477 HydrophobicContact CD2-CG 3.9Å; L473-F477 WeakPolarHBondContact O-CB 3.43Å; L473-F477 PolarHBondContact O-N 3.29Å; L474-F477 WeakPolarHBondContact O-CB 3.35Å; L474-F477 PolarHBondContact O-N 3.33Å; R475-F477 VanDerWaalsContact C-N 3.3Å; R475-F477 PolarHBondContact O-N 2.81Å; F477-R539 PolarHBondContact O-NH1 2.83Å; F477-I629 HydrophobicContact CE1-CB 4.43Å; F477-I629 HydrophobicContact CE1-CG2 3.83Å; F477-I629 HydrophobicContact CZ-CD1 4.16Å; F477-I629 HydrophobicContact CZ-CG2 4.27Å
478	V	92.7	Very high	92	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-87.4	-7.6	177.5	-58.5	0	0	0	0	113.5	L474 R475 T628 I629 F670	L474-V478 PolarHBondContact O-N 2.83Å; R475-V478 WeakPolarHBondContact O-CG2 3.41Å; R475-V478 PolarHBondContact O-N 3.47Å; V478-T628 VanDerWaalsContact O-CG2 3.3Å; V478-T628 WeakPolarHBondContact O-CG2 3.48Å; V478-I629 WeakPolarHBondContact CA-O 3.32Å; V478-I629 WeakPolarHBondContact CB-O 3.19Å; V478-F670 HydrophobicContact CG1-CB 4.36Å; V478-F670 HydrophobicContact CG1-CD1 4.26Å; V478-F670 HydrophobicContact CG2-CD1 3.96Å
479	S	92.5	Very high	91.7	Very high	49 Å²	49	44.8 Å²	44.8	34%	0.343	27%	0.268	S	S	.	.	S	Bend	trans	-66.7	150.2	-178.2	70	0	0	0	0	112.2	R475 Q476 R539	R475-S479 WeakPolarHBondContact O-CB 3.36Å; R475-S479 PolarHBondContact O-N 3.38Å; Q476-S479 PolarHBondContact O-N 2.9Å; Q476-S479 PolarHBondContact O-OG 3.3Å; S479-R539 PolarHBondContact O-NH1 2.78Å; S479-R539 PolarHBondContact O-NH2 3.04Å
480	P	93	Very high	91.5	Very high	85 Å²	85	42.2 Å²	42.2	55%	0.552	25%	0.254	S	S	*	.			trans	-57.7	137.7	172.7	-22.6	32.9	0	0	0	111.8	T626 Q627 T628	P480-T626 HydrophobicContact CB-CG2 3.6Å; P480-Q627 CarbonylContact C-O 3.57Å; P480-Q627 WeakPolarHBondContact CA-O 3.48Å; P480-T628 HydrophobicContact CG-CG2 4.45Å
481	S	90.4	Very high	91	Very high	34 Å²	34	44.5 Å²	44.5	24%	0.238	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.6	170.4	69.9	0	0	0	0	110.8	R539 Q627	S481-R539 PolarHBondContact OG-NE 3.24Å; S481-R539 PolarHBondContact OG-NH2 2.9Å; S481-Q627 PolarHBondContact N-O 3.32Å; S481-Q627 PolarHBondContact O-N 3.42Å
482	P	92.1	Very high	90.6	Very high	114 Å²	114	45.9 Å²	45.9	74%	0.74	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	140.8	174.4	29.4	-34.4	0	0	0	110.7
483	I	89.1	Confident	90.2	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.046	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132	163.5	-61	164.4	0	0	0	107.1	I434 S487 I535 A625 Q627	I434-I483 HydrophobicContact CD1-CD1 4.4Å; I434-I483 HydrophobicContact CG1-CD1 4.22Å; I434-I483 HydrophobicContact CG2-CD1 3.75Å; I483-S487 VanDerWaalsContact CG2-OG 3.22Å; I483-S487 WeakPolarHBondContact CG2-OG 3.38Å; I483-I535 HydrophobicContact CD1-CD1 3.71Å; I483-I535 HydrophobicContact CD1-CG2 4.38Å; I483-I535 HydrophobicContact CG1-CD1 4.38Å; I483-I535 HydrophobicContact CG1-CG2 4.35Å; I483-I535 HydrophobicContact CG2-CD1 4.23Å; I483-A625 HydrophobicContact CB-CB 4.26Å; I483-A625 HydrophobicContact CD1-CB 4.03Å; I483-A625 PolarHBondContact N-O 3.45Å; I483-A625 PolarHBondContact O-N 3Å; I483-Q627 HydrophobicContact CD1-CB 3.79Å; I483-Q627 HydrophobicContact CG1-CB 3.99Å
484	D	82.8	Confident	89.8	Confident	86 Å²	86	43.4 Å²	43.4	46%	0.46	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-65.8	154.8	176.5	63.5	11.8	0	0	0	111.8	A486 S487	D484-A486 PolarHBondContact O-N 3.36Å; D484-A486 PolarHBondContact OD1-N 3.45Å; D484-S487 WeakPolarHBondContact OD1-CB 3.49Å; D484-S487 PolarHBondContact OD1-N 2.84Å; D484-S487 PolarHBondContact OD1-OG 2.73Å
485	G	81.5	Confident	89.4	Confident	25 Å²	25	46.6 Å²	46.6	26%	0.258	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	13.3	176.5	0	0	0	0	0	113.9	L622 H624	G485-L622 WeakPolarHBondContact O-CB 3.31Å; G485-H624 PolarHBondContact N-CE1 3.23Å; G485-H624 PolarHBondContact N-ND1 3.01Å
486	A	84.1	Confident	88.8	Confident	71 Å²	71	44.1 Å²	44.1	59%	0.587	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-10.2	-175.9	0	0	0	0	0	113.4	D484 L622	D484-A486 PolarHBondContact O-N 3.36Å; D484-A486 PolarHBondContact OD1-N 3.45Å; A486-L622 WeakPolarHBondContact O-CD1 3.47Å
487	S	85.1	Confident	88.1	Confident	41 Å²	41	41.4 Å²	41.4	29%	0.287	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-13.4	-172.9	58.6	0	0	0	0	115	I483 D484 I533	I483-S487 VanDerWaalsContact CG2-OG 3.22Å; I483-S487 WeakPolarHBondContact CG2-OG 3.38Å; D484-S487 WeakPolarHBondContact OD1-CB 3.49Å; D484-S487 PolarHBondContact OD1-N 2.84Å; D484-S487 PolarHBondContact OD1-OG 2.73Å; S487-I533 WeakPolarHBondContact O-CD1 3.5Å
488	Y	88.8	Confident	87.2	Confident	18 Å²	18	45.7 Å²	45.7	7%	0.071	28%	0.282	C	S	.	.			trans	-119.9	129.2	-176.2	177.3	-114.4	0	0	0	113	I434 C436 C490 I535 L622 T623 A625	I434-Y488 HydrophobicContact CG2-CD1 4.31Å; I434-Y488 HydrophobicContact CG2-CD2 4.11Å; I434-Y488 HydrophobicContact CG2-CE1 3.85Å; I434-Y488 HydrophobicContact CG2-CE2 3.67Å; I434-Y488 HydrophobicContact CG2-CG 4.41Å; C436-Y488 HydrophobicContact CB-CE1 4.33Å; Y488-C490 HydrophobicContact CE1-CB 3.78Å; Y488-I535 HydrophobicContact CD2-CD1 4.38Å; Y488-L622 CarbonylContact O-C 3.56Å; Y488-L622 VanDerWaalsContact O-CA 3.3Å; Y488-L622 WeakPolarHBondContact O-CA 3.22Å; Y488-T623 WeakPolarHBondContact CD1-OG1 3.48Å; Y488-T623 PolarHBondContact O-N 2.88Å; Y488-T623 PolarHBondContact O-OG1 2.9Å; Y488-A625 HydrophobicContact CD1-CB 3.39Å; Y488-A625 HydrophobicContact CE1-CB 3.61Å; Y488-A625 HydrophobicContact CG-CB 4.19Å
489	A	88.9	Confident	86.3	Confident	21 Å²	21	48.5 Å²	48.5	17%	0.174	30%	0.296	C	S	.	.			trans	-110.7	102.6	173.8	0	0	0	0	0	109.8	V491 L616 L622	A489-V491 PolarHBondContact O-N 2.96Å; A489-L616 HydrophobicContact CB-CD2 3.84Å; A489-L622 HydrophobicContact CB-CD2 4.11Å
490	C	90.5	Very high	84.9	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.014	30%	0.301	C	S	.	.			trans	-66.7	126.2	176.4	177.8	0	0	0	0	110.9	C436 C439 Y488 K492 C493 N494 T623	C436-C490 HydrophobicContact CB-CB 4.06Å; C439-C490 PolarHBondContact SG-SG 2.9Å; Y488-C490 HydrophobicContact CE1-CB 3.78Å; C490-K492 PolarHBondContact O-N 2.78Å; C490-C493 HydrophobicContact CB-CB 3.97Å; C490-C493 PolarHBondContact O-N 2.84Å; C490-N494 WeakPolarHBondContact O-CB 3.19Å; C490-N494 PolarHBondContact O-N 2.93Å; C490-N494 PolarHBondContact O-ND2 3.06Å; C490-T623 HydrophobicContact CB-CG2 4.23Å; C490-T623 WeakPolarHBondContact CB-OG1 3.44Å; C490-T623 PolarHBondContact N-OG1 3.28Å
491	V	87	Confident	83.4	Confident	47 Å²	47	53 Å²	53	29%	0.285	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-47.4	-178.5	-179	0	0	0	0	111.6	A489 N494 Q495 Y527	A489-V491 PolarHBondContact O-N 2.96Å; V491-N494 PolarHBondContact O-N 2.73Å; V491-Q495 HydrophobicContact CG1-CG 4.5Å; V491-Q495 WeakPolarHBondContact O-CG 3.39Å; V491-Q495 PolarHBondContact O-N 3.1Å; V491-Y527 HydrophobicContact CB-CD2 4.38Å; V491-Y527 HydrophobicContact CB-CG 4.12Å; V491-Y527 HydrophobicContact CG1-CD1 3.48Å; V491-Y527 VanDerWaalsContact CG1-CD1 3.48Å; V491-Y527 HydrophobicContact CG1-CD2 3.99Å; V491-Y527 HydrophobicContact CG1-CE1 3.85Å; V491-Y527 HydrophobicContact CG1-CE2 4.32Å; V491-Y527 HydrophobicContact CG1-CG 3.55Å
492	K	88.2	Confident	81.9	Confident	56 Å²	56	59.3 Å²	59.3	24%	0.243	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-45.4	179.9	-174.1	174.9	178.8	-177.2	0	112.3	C439 V441 C490 N494 Q495 C496	C439-K492 HydrophobicContact CB-CD 4.33Å; V441-K492 HydrophobicContact CB-CD 4.5Å; V441-K492 HydrophobicContact CG2-CB 4.42Å; V441-K492 HydrophobicContact CG2-CD 3.38Å; C490-K492 PolarHBondContact O-N 2.78Å; K492-N494 VanDerWaalsContact C-N 3.3Å; K492-N494 PolarHBondContact O-N 3.42Å; K492-Q495 PolarHBondContact O-N 3.06Å; K492-C496 PolarHBondContact O-N 3.13Å; K492-C496 PolarHBondContact O-SG 2.83Å; K492-C496 VanDerWaalsContact O-SG 3.32Å
493	C	89.5	Confident	80	Confident	12 Å²	12	60 Å²	60	8%	0.081	32%	0.317	C	S	.	.	H	α-helix	trans	-62.2	-39.2	177	-67	0	0	0	0	112.2	C490 C496 S497 L621 T623	C490-C493 HydrophobicContact CB-CB 3.97Å; C490-C493 PolarHBondContact O-N 2.84Å; C493-C496 PolarHBondContact O-N 3Å; C493-S497 WeakPolarHBondContact O-CB 3.45Å; C493-S497 PolarHBondContact O-N 2.84Å; C493-L621 HydrophobicContact CB-CD2 4.5Å; C493-T623 HydrophobicContact CB-CG2 3.96Å
494	N	88.9	Confident	78.1	Confident	21 Å²	21	64.7 Å²	64.7	11%	0.112	35%	0.346	C	S	.	.	H	α-helix	trans	-66.5	-41.7	177.3	-84	-89.1	0	0	0	111.6	C490 V491 K492 S497 E498 S620 L621	C490-N494 WeakPolarHBondContact O-CB 3.19Å; C490-N494 PolarHBondContact O-N 2.93Å; C490-N494 PolarHBondContact O-ND2 3.06Å; V491-N494 PolarHBondContact O-N 2.73Å; K492-N494 VanDerWaalsContact C-N 3.3Å; K492-N494 PolarHBondContact O-N 3.42Å; N494-S497 PolarHBondContact O-N 2.94Å; N494-S497 PolarHBondContact O-OG 3.29Å; N494-E498 PolarHBondContact O-N 3.12Å; N494-S620 VanDerWaalsContact OD1-CA 3.25Å; N494-S620 WeakPolarHBondContact OD1-CA 3.09Å; N494-L621 PolarHBondContact ND2-O 3.24Å; N494-L621 PolarHBondContact OD1-N 3.45Å
495	Q	87	Confident	76.5	Confident	69 Å²	69	67.3 Å²	67.3	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-47.2	174.3	-73.1	171.8	-19.2	0	0	112.5	V491 K492 S497 E498 I499 Y527	V491-Q495 HydrophobicContact CG1-CG 4.5Å; V491-Q495 WeakPolarHBondContact O-CG 3.39Å; V491-Q495 PolarHBondContact O-N 3.1Å; K492-Q495 PolarHBondContact O-N 3.06Å; Q495-S497 VanDerWaalsContact C-N 3.26Å; Q495-S497 PolarHBondContact O-N 3.47Å; Q495-E498 PolarHBondContact O-N 2.86Å; Q495-I499 WeakPolarHBondContact O-CG1 3.47Å; Q495-I499 PolarHBondContact O-N 3.07Å; Q495-Y527 PolarHBondContact NE2-OH 3.45Å; Q495-Y527 PolarHBondContact OE1-OH 3.29Å
496	C	85.1	Confident	74.9	Confident	50 Å²	50	74.1 Å²	74.1	34%	0.338	38%	0.383	S	S	.	.	H	α-helix	trans	-61	-36.1	176.1	-64.6	0	0	0	0	112.2	K492 C493 I499 N500	K492-C496 PolarHBondContact O-N 3.13Å; K492-C496 PolarHBondContact O-SG 2.83Å; K492-C496 VanDerWaalsContact O-SG 3.32Å; C493-C496 PolarHBondContact O-N 3Å; C496-I499 PolarHBondContact O-N 3.14Å; C496-N500 PolarHBondContact O-N 2.99Å; C496-N500 VanDerWaalsContact O-N 3.11Å
497	S	78.3	Confident	72.5	Confident	25 Å²	25	77.6 Å²	77.6	18%	0.175	40%	0.398	C	S	.	.	H	α-helix	trans	-69.2	-34	177.7	77	0	0	0	0	113.4	C493 N494 Q495 R501	C493-S497 WeakPolarHBondContact O-CB 3.45Å; C493-S497 PolarHBondContact O-N 2.84Å; N494-S497 PolarHBondContact O-N 2.94Å; N494-S497 PolarHBondContact O-OG 3.29Å; Q495-S497 VanDerWaalsContact C-N 3.26Å; Q495-S497 PolarHBondContact O-N 3.47Å; S497-R501 WeakPolarHBondContact O-CG 3.46Å; S497-R501 PolarHBondContact O-N 2.75Å; S497-R501 VanDerWaalsContact O-N 3.07Å
498	E	74.8	Confident	70.1	Confident	113 Å²	113	86.8 Å²	86.8	53%	0.528	43%	0.426	S	S	.	.	H	α-helix	trans	-69.5	-35.2	175.1	-73.6	-170.6	172.5	0	0	112.2	N494 Q495 K502	N494-E498 PolarHBondContact O-N 3.12Å; Q495-E498 PolarHBondContact O-N 2.86Å; E498-K502 PolarHBondContact O-N 3.01Å
499	I	74.5	Confident	67.6	Low	71 Å²	71	91.6 Å²	91.6	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-64.1	-50.4	174.2	-64	166.1	0	0	0	109.7	Q495 C496 R501 K502 E503	Q495-I499 WeakPolarHBondContact O-CG1 3.47Å; Q495-I499 PolarHBondContact O-N 3.07Å; C496-I499 PolarHBondContact O-N 3.14Å; I499-R501 VanDerWaalsContact C-N 3.32Å; I499-R501 PolarHBondContact O-N 3.13Å; I499-K502 PolarHBondContact O-N 3.38Å; I499-K502 VanDerWaalsContact O-N 3.08Å; I499-E503 PolarHBondContact O-N 3.19Å
500	N	63	Low	64.9	Low	85 Å²	85	96 Å²	96	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-62.7	-34.7	180	-70.4	-9.9	0	0	0	113.1	C496 K502 E503 T504	C496-N500 PolarHBondContact O-N 2.99Å; C496-N500 VanDerWaalsContact O-N 3.11Å; N500-K502 VanDerWaalsContact C-N 3.29Å; N500-K502 PolarHBondContact O-N 3.05Å; N500-E503 PolarHBondContact O-N 3.03Å; N500-T504 WeakPolarHBondContact O-CG2 3.42Å; N500-T504 PolarHBondContact O-N 2.9Å; N500-T504 PolarHBondContact O-OG1 3.41Å
501	R	61.9	Low	62	Low	143 Å²	143	105.9 Å²	105.9	54%	0.54	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-34	175.3	-80.9	-177.6	-177.8	153.5	3.3	112.8	S497 I499 E503 T504	S497-R501 WeakPolarHBondContact O-CG 3.46Å; S497-R501 PolarHBondContact O-N 2.75Å; S497-R501 VanDerWaalsContact O-N 3.07Å; I499-R501 VanDerWaalsContact C-N 3.32Å; I499-R501 PolarHBondContact O-N 3.13Å; R501-E503 VanDerWaalsContact C-N 3.34Å; R501-T504 PolarHBondContact O-OG1 3.18Å
502	K	58.6	Low	59.3	Low	166 Å²	166	110.2 Å²	110.2	72%	0.722	55%	0.549	S	S	*	.	H	α-helix	trans	-74.2	-26.2	176.5	-69.2	178.4	-178.2	176.8	0	112.4	E498 I499 N500	E498-K502 PolarHBondContact O-N 3.01Å; I499-K502 PolarHBondContact O-N 3.38Å; I499-K502 VanDerWaalsContact O-N 3.08Å; N500-K502 VanDerWaalsContact C-N 3.29Å; N500-K502 PolarHBondContact O-N 3.05Å
503	E	52.8	Low	56.6	Low	129 Å²	129	115.8 Å²	115.8	60%	0.603	58%	0.576	S	S	*	*	H	α-helix	trans	-83.3	-31.3	177.3	-71.1	-175.5	168.1	0	0	113.1	I499 N500 R501 D505 F506	I499-E503 PolarHBondContact O-N 3.19Å; N500-E503 PolarHBondContact O-N 3.03Å; R501-E503 VanDerWaalsContact C-N 3.34Å; E503-D505 PolarHBondContact O-N 3.27Å; E503-F506 PolarHBondContact O-N 3.49Å; E503-F506 VanDerWaalsContact O-N 3.12Å
504	T	49	Very low	53.6	Low	107 Å²	107	120.1 Å²	120.1	66%	0.656	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-2.4	179.9	49.9	0	0	0	0	115.7	N500 R501 F506	N500-T504 WeakPolarHBondContact O-CG2 3.42Å; N500-T504 PolarHBondContact O-N 2.9Å; N500-T504 PolarHBondContact O-OG1 3.41Å; R501-T504 PolarHBondContact O-OG1 3.18Å; T504-F506 PolarHBondContact O-N 3.43Å
505	D	50.1	Low	50.5	Low	142 Å²	142	124.5 Å²	124.5	76%	0.759	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-1.9	164.9	-97.1	-17.3	0	0	0	112.7	E503	E503-D505 PolarHBondContact O-N 3.27Å
506	F	46.8	Very low	48	Very low	168 Å²	168	130 Å²	130	74%	0.737	66%	0.656	S	S	*	*	S	Bend	trans	-119.1	130.8	170.4	-65.1	-83.8	0	0	0	111.4	E503 T504	E503-F506 PolarHBondContact O-N 3.49Å; E503-F506 VanDerWaalsContact O-N 3.12Å; T504-F506 PolarHBondContact O-N 3.43Å
507	T	34.8	Very low	45.3	Very low	144 Å²	144	135.2 Å²	135.2	88%	0.883	68%	0.68	S	S	*	*	S	Bend	trans	-51.8	137.5	-177.3	18.4	0	0	0	0	114.6
508	R	32.9	Very low	43.1	Very low	233 Å²	233	138.9 Å²	138.9	88%	0.879	71%	0.706	S	S	*	*			trans	108.6	126.7	154.2	-146.3	173.4	-164.2	-173	4.1	116
509	P	36.5	Very low	40.9	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	72%	0.723	S	S	*	*			trans	-83.1	126.4	-166	32.4	-32.6	0	0	0	111.9
510	V	32.3	Very low	38.7	Very low	114 Å²	114	145.7 Å²	145.7	69%	0.691	75%	0.747	S	S	*	*			trans	-116.8	106.2	165.4	-176	0	0	0	0	107.2	N512	V510-N512 VanDerWaalsContact C-N 3.35Å; V510-N512 HydrophobicContact CG1-CB 3.88Å; V510-N512 WeakPolarHBondContact CG1-ND2 3.33Å; V510-N512 PolarHBondContact O-N 2.97Å
511	F	30.1	Very low	37.2	Very low	208 Å²	208	151.1 Å²	151.1	91%	0.912	77%	0.77	S	S	*	*			trans	-63.4	100.7	156.9	-87.4	-93	0	0	0	106.4
512	N	30.7	Very low	35.6	Very low	138 Å²	138	150.8 Å²	150.8	74%	0.738	78%	0.778	S	S	*	*			trans	-139.3	130	163.9	-95.1	-20.5	0	0	0	111.2	V510	V510-N512 VanDerWaalsContact C-N 3.35Å; V510-N512 HydrophobicContact CG1-CB 3.88Å; V510-N512 WeakPolarHBondContact CG1-ND2 3.33Å; V510-N512 PolarHBondContact O-N 2.97Å
513	Q	30.5	Very low	34.1	Very low	174 Å²	174	145.7 Å²	145.7	81%	0.813	77%	0.773	S	S	*	*			trans	-51.1	134	170.8	-67.5	160.5	-14.1	0	0	109	S515	Q513-S515 VanDerWaalsContact C-N 3.34Å; Q513-S515 PolarHBondContact O-N 2.94Å
514	C	26.6	Very low	32.8	Very low	103 Å²	103	147.1 Å²	147.1	70%	0.696	78%	0.784	S	S	*	*			trans	-60.7	94.4	174	-68.8	0	0	0	0	110.2
515	S	25.3	Very low	31.9	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	77%	0.772	S	S	*	*			trans	-99.6	103.4	163.3	-60.6	0	0	0	0	106.7	Q513	Q513-S515 VanDerWaalsContact C-N 3.34Å; Q513-S515 PolarHBondContact O-N 2.94Å
516	Y	33.5	Very low	31	Very low	185 Å²	185	143.4 Å²	143.4	73%	0.725	77%	0.768	S	S	*	*			trans	-91.3	118.3	176.5	-112.3	-88.6	0	0	0	109.2
517	D	28.2	Very low	30.5	Very low	159 Å²	159	139.2 Å²	139.2	85%	0.85	75%	0.748	S	S	*	*			trans	-62.7	133	168.6	-93.1	-38.5	0	0	0	110.2	N519	D517-N519 PolarHBondContact O-N 2.97Å
518	S	33.1	Very low	30.3	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	74%	0.74	S	S	*	*	S	Bend	trans	-75.5	89.7	-179	-57.8	0	0	0	0	109
519	N	27.1	Very low	30.6	Very low	162 Å²	162	128.1 Å²	128.1	87%	0.866	71%	0.707	S	S	*	*			trans	-179.6	79.4	157	-89.5	-28.2	0	0	0	110.1	D517	D517-N519 PolarHBondContact O-N 2.97Å
520	D	29.4	Very low	30.4	Very low	164 Å²	164	126.3 Å²	126.3	88%	0.877	69%	0.691	S	S	*	*			trans	-146.4	129	150.3	-123.3	-14.2	0	0	0	110.8	L522	D520-L522 PolarHBondContact O-N 2.84Å
521	Q	30.1	Very low	30.5	Very low	199 Å²	199	128.8 Å²	128.8	93%	0.93	69%	0.693	S	S	*	*			trans	-74.9	59.8	-171.5	-68.6	178.8	-12.2	0	0	112.2
522	L	29.4	Very low	30.8	Very low	137 Å²	137	121.5 Å²	121.5	72%	0.717	66%	0.662	S	S	*	*			trans	-106.6	80.4	167.1	-160.7	68.3	0	0	0	109.8	D520 L525	D520-L522 PolarHBondContact O-N 2.84Å; L522-L525 HydrophobicContact CD2-CD1 3.6Å; L522-L525 HydrophobicContact CG-CD1 3.83Å
523	G	27.4	Very low	31	Very low	59 Å²	59	118.4 Å²	118.4	61%	0.608	65%	0.645	S	S	*	*			trans	-63.8	145.5	178.9	0	0	0	0	0	113.8	L525	G523-L525 PolarHBondContact O-N 3.32Å
524	N	25.7	Very low	31.1	Very low	158 Å²	158	111.8 Å²	111.8	85%	0.845	62%	0.618	S	S	*	*			trans	49.3	57	153	-65	-12.2	0	0	0	117.2	S526	N524-S526 PolarHBondContact O-N 2.92Å
525	L	29	Very low	31.5	Very low	75 Å²	75	107.6 Å²	107.6	39%	0.393	59%	0.589	S	S	.	*			trans	-88.3	82.6	162.8	-77.2	148.9	0	0	0	109.9	L522 G523 Y527	L522-L525 HydrophobicContact CD2-CD1 3.6Å; L522-L525 HydrophobicContact CG-CD1 3.83Å; G523-L525 PolarHBondContact O-N 3.32Å; L525-Y527 HydrophobicContact CB-CD1 4.34Å; L525-Y527 HydrophobicContact CB-CE1 3.76Å; L525-Y527 HydrophobicContact CB-CE2 4.04Å; L525-Y527 HydrophobicContact CD1-CE1 4.34Å; L525-Y527 HydrophobicContact CD2-CD1 4.38Å; L525-Y527 HydrophobicContact CD2-CE1 3.87Å; L525-Y527 HydrophobicContact CG-CE1 4.2Å; L525-Y527 PolarHBondContact O-N 3.47Å
526	S	30.7	Very low	31.9	Very low	97 Å²	97	102.6 Å²	102.6	68%	0.678	55%	0.554	S	S	*	*			trans	-66.4	106.6	149.7	177.7	0	0	0	0	106	N524 P528	N524-S526 PolarHBondContact O-N 2.92Å; S526-P528 WeakPolarHBondContact O-CD 3.41Å
527	Y	38.1	Very low	31.9	Very low	80 Å²	80	98.9 Å²	98.9	31%	0.314	55%	0.546	S	S	.	.			trans	-75.5	111.8	177.4	-63.9	-71.2	0	0	0	108.3	V491 Q495 L525 V529	V491-Y527 HydrophobicContact CB-CD2 4.38Å; V491-Y527 HydrophobicContact CB-CG 4.12Å; V491-Y527 HydrophobicContact CG1-CD1 3.48Å; V491-Y527 VanDerWaalsContact CG1-CD1 3.48Å; V491-Y527 HydrophobicContact CG1-CD2 3.99Å; V491-Y527 HydrophobicContact CG1-CE1 3.85Å; V491-Y527 HydrophobicContact CG1-CE2 4.32Å; V491-Y527 HydrophobicContact CG1-CG 3.55Å; Q495-Y527 PolarHBondContact NE2-OH 3.45Å; Q495-Y527 PolarHBondContact OE1-OH 3.29Å; L525-Y527 HydrophobicContact CB-CD1 4.34Å; L525-Y527 HydrophobicContact CB-CE1 3.76Å; L525-Y527 HydrophobicContact CB-CE2 4.04Å; L525-Y527 HydrophobicContact CD1-CE1 4.34Å; L525-Y527 HydrophobicContact CD2-CD1 4.38Å; L525-Y527 HydrophobicContact CD2-CE1 3.87Å; L525-Y527 HydrophobicContact CG-CE1 4.2Å; L525-Y527 PolarHBondContact O-N 3.47Å; Y527-V529 PolarHBondContact O-N 3.39Å
528	P	29.9	Very low	32.3	Very low	110 Å²	110	93.9 Å²	93.9	71%	0.714	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-60.6	119.9	166.5	25.5	-31	0	0	0	106.7	S526 N530	S526-P528 WeakPolarHBondContact O-CD 3.41Å; P528-N530 PolarHBondContact O-N 3.38Å
529	V	38.7	Very low	32.5	Very low	34 Å²	34	90.9 Å²	90.9	21%	0.206	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-51.3	117.8	167.9	178.6	0	0	0	0	105.8	A443 Y527 K531	A443-V529 HydrophobicContact CB-CG2 3.5Å; Y527-V529 PolarHBondContact O-N 3.39Å; V529-K531 PolarHBondContact O-N 3.29Å
530	N	32.9	Very low	33.3	Very low	82 Å²	82	86.4 Å²	86.4	44%	0.439	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-48.2	118.1	170	-85.9	-41.3	0	0	0	106.4	P528 I532	P528-N530 PolarHBondContact O-N 3.38Å; N530-I532 HydrophobicContact CB-CD1 3.59Å; N530-I532 HydrophobicContact CB-CG1 3.87Å; N530-I532 PolarHBondContact O-N 2.94Å
531	K	34	Very low	33.2	Very low	166 Å²	166	82 Å²	82	72%	0.722	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-56.2	10.1	-179.2	-75.5	-179.8	176.1	173.2	0	114.6	V529 I533	V529-K531 PolarHBondContact O-N 3.29Å; K531-I533 PolarHBondContact O-N 2.99Å
532	I	36.3	Very low	33.1	Very low	54 Å²	54	77.2 Å²	77.2	28%	0.277	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-59.6	-33.1	-178.9	-58.1	164.2	0	0	0	110.7	N530 P613 T614 L616	N530-I532 HydrophobicContact CB-CD1 3.59Å; N530-I532 HydrophobicContact CB-CG1 3.87Å; N530-I532 PolarHBondContact O-N 2.94Å; I532-P613 HydrophobicContact CG1-CB 4.29Å; I532-T614 WeakPolarHBondContact CD1-O 3.32Å; I532-T614 WeakPolarHBondContact CG1-O 3.42Å; I532-L616 HydrophobicContact CD1-CD2 4.25Å; I532-L616 HydrophobicContact CD1-CG 3.9Å; I532-L616 HydrophobicContact CG2-CG 4.47Å
533	I	34.9	Very low	33	Very low	73 Å²	73	75.3 Å²	75.3	37%	0.374	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-143.4	91.4	176.5	-39.1	175.4	0	0	0	108.9	S487 K531 I535	S487-I533 WeakPolarHBondContact O-CD1 3.5Å; K531-I533 PolarHBondContact O-N 2.99Å; I533-I535 HydrophobicContact CB-CG1 3.85Å; I533-I535 HydrophobicContact CG2-CB 4.29Å; I533-I535 HydrophobicContact CG2-CD1 4.45Å; I533-I535 HydrophobicContact CG2-CG1 3.36Å; I533-I535 PolarHBondContact O-N 3.2Å
534	S	33.3	Very low	33	Very low	35 Å²	35	77.9 Å²	77.9	25%	0.245	45%	0.452	C	S	.	.			trans	-59.5	82.5	149.9	-65.8	0	0	0	0	107.1	E447 A536 L537	E447-S534 WeakPolarHBondContact OE1-CB 3.15Å; E447-S534 PolarHBondContact OE1-OG 3.41Å; S534-A536 PolarHBondContact O-N 2.86Å; S534-A536 VanDerWaalsContact O-N 3.08Å; S534-L537 WeakPolarHBondContact O-CB 3.29Å; S534-L537 PolarHBondContact O-N 3.01Å
535	I	35	Very low	32.9	Very low	15 Å²	15	76.4 Å²	76.4	8%	0.077	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.9	179.9	-63.1	174.3	0	0	0	109.5	I434 I483 Y488 I533 L537 S538 Q627	I434-I535 HydrophobicContact CD1-CD1 4.21Å; I483-I535 HydrophobicContact CD1-CD1 3.71Å; I483-I535 HydrophobicContact CD1-CG2 4.38Å; I483-I535 HydrophobicContact CG1-CD1 4.38Å; I483-I535 HydrophobicContact CG1-CG2 4.35Å; I483-I535 HydrophobicContact CG2-CD1 4.23Å; Y488-I535 HydrophobicContact CD2-CD1 4.38Å; I533-I535 HydrophobicContact CB-CG1 3.85Å; I533-I535 HydrophobicContact CG2-CB 4.29Å; I533-I535 HydrophobicContact CG2-CD1 4.45Å; I533-I535 HydrophobicContact CG2-CG1 3.36Å; I533-I535 PolarHBondContact O-N 3.2Å; I535-L537 PolarHBondContact O-N 2.84Å; I535-L537 VanDerWaalsContact O-N 3.14Å; I535-S538 WeakPolarHBondContact O-CB 3.48Å; I535-S538 PolarHBondContact O-N 2.96Å; I535-S538 PolarHBondContact O-OG 3.31Å; I535-Q627 VanDerWaalsContact CG2-OE1 3.31Å
536	A	33.1	Very low	32.7	Very low	7 Å²	7	78.2 Å²	78.2	6%	0.058	47%	0.472	C	S	.	.	H	α-helix	trans	-53.1	-29.5	169.3	0	0	0	0	0	113.7	S534 S538 R539 Q627 I629	S534-A536 PolarHBondContact O-N 2.86Å; S534-A536 VanDerWaalsContact O-N 3.08Å; A536-S538 VanDerWaalsContact C-N 3.29Å; A536-S538 PolarHBondContact O-N 3.42Å; A536-R539 PolarHBondContact O-N 3.04Å; A536-Q627 VanDerWaalsContact N-NE2 3.16Å; A536-I629 HydrophobicContact CB-CD1 4.36Å
537	L	32.9	Very low	32.6	Very low	107 Å²	107	79.5 Å²	79.5	56%	0.56	48%	0.477	S	S	*	.	H	α-helix	trans	-68.4	-23.7	174.3	-68.8	172.1	0	0	0	113.2	S534 I535 R539 L540 A541	S534-L537 WeakPolarHBondContact O-CB 3.29Å; S534-L537 PolarHBondContact O-N 3.01Å; I535-L537 PolarHBondContact O-N 2.84Å; I535-L537 VanDerWaalsContact O-N 3.14Å; L537-R539 VanDerWaalsContact C-N 3.33Å; L537-R539 PolarHBondContact O-N 3.43Å; L537-L540 HydrophobicContact CD2-CD1 4.18Å; L537-L540 CarbonylContact O-C 3.59Å; L537-L540 WeakPolarHBondContact O-CA 3.29Å; L537-L540 WeakPolarHBondContact O-CB 3.27Å; L537-L540 PolarHBondContact O-N 3Å; L537-A541 PolarHBondContact O-N 3.08Å
538	S	36.8	Very low	31.8	Very low	55 Å²	55	84.4 Å²	84.4	39%	0.385	50%	0.503	S	S	.	.	H	α-helix	trans	-67.6	-34.5	176.3	70.8	0	0	0	0	111.9	I535 A536 L540 A541 S542	I535-S538 WeakPolarHBondContact O-CB 3.48Å; I535-S538 PolarHBondContact O-N 2.96Å; I535-S538 PolarHBondContact O-OG 3.31Å; A536-S538 VanDerWaalsContact C-N 3.29Å; A536-S538 PolarHBondContact O-N 3.42Å; S538-L540 PolarHBondContact O-N 3.05Å; S538-A541 CarbonylContact O-C 3.51Å; S538-A541 PolarHBondContact O-N 2.59Å; S538-S542 PolarHBondContact O-N 2.92Å
539	R	38.9	Very low	31.5	Very low	39 Å²	39	86.6 Å²	86.6	15%	0.147	51%	0.508	C	S	.	.	H	α-helix	trans	-69.3	-21.1	170.1	-67.4	-168.8	-175.2	-177.7	-0.5	112.2	F477 S479 S481 A536 L537 Q627 K643	F477-R539 PolarHBondContact O-NH1 2.83Å; S479-R539 PolarHBondContact O-NH1 2.78Å; S479-R539 PolarHBondContact O-NH2 3.04Å; S481-R539 PolarHBondContact OG-NE 3.24Å; S481-R539 PolarHBondContact OG-NH2 2.9Å; A536-R539 PolarHBondContact O-N 3.04Å; L537-R539 VanDerWaalsContact C-N 3.33Å; L537-R539 PolarHBondContact O-N 3.43Å; R539-Q627 PolarHBondContact NH2-O 3.46Å; R539-K643 PolarHBondContact O-NZ 3.4Å
540	L	42.8	Very low	30.5	Very low	69 Å²	69	89.8 Å²	89.8	36%	0.361	53%	0.532	S	S	.	.	H	α-helix	trans	-86.6	-30.3	173.5	-68.9	169.9	0	0	0	113	L537 S538 K643	L537-L540 HydrophobicContact CD2-CD1 4.18Å; L537-L540 CarbonylContact O-C 3.59Å; L537-L540 WeakPolarHBondContact O-CA 3.29Å; L537-L540 WeakPolarHBondContact O-CB 3.27Å; L537-L540 PolarHBondContact O-N 3Å; S538-L540 PolarHBondContact O-N 3.05Å; L540-K643 PolarHBondContact O-NZ 2.86Å
541	A	27.1	Very low	30.1	Very low	70 Å²	70	96 Å²	96	58%	0.579	55%	0.55	S	S	*	*	S	Bend	trans	-162.5	111.9	167.5	0	0	0	0	0	112.4	L537 S538	L537-A541 PolarHBondContact O-N 3.08Å; S538-A541 CarbonylContact O-C 3.51Å; S538-A541 PolarHBondContact O-N 2.59Å
542	S	28	Very low	29.8	Very low	99 Å²	99	92.9 Å²	92.9	69%	0.692	55%	0.547	S	S	*	.			trans	-175.3	139.6	150.3	-78	0	0	0	0	111.5	S538	S538-S542 PolarHBondContact O-N 2.92Å
543	P	27.9	Very low	29	Very low	97 Å²	97	97.9 Å²	97.9	63%	0.63	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-94.7	164.3	174.8	34.3	-27.4	0	0	0	114
544	S	26.5	Very low	28.5	Very low	114 Å²	114	104 Å²	104	80%	0.797	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-57.1	131.6	-176.1	47	0	0	0	0	115.5
545	C	23.8	Very low	27.8	Very low	126 Å²	126	106.9 Å²	106.9	85%	0.851	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-55.4	133.4	171.4	-70.4	0	0	0	0	113.2
546	S	25.3	Very low	27.2	Very low	114 Å²	114	112.1 Å²	112.1	80%	0.797	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-97.3	153.6	158.6	-72.7	0	0	0	0	110
547	P	27.7	Very low	26.5	Very low	123 Å²	123	117 Å²	117	80%	0.799	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-79.3	144.5	-161.9	-4.4	21.9	0	0	0	113.3	L549	P547-L549 PolarHBondContact O-N 2.78Å
548	Q	22.8	Very low	26	Very low	183 Å²	183	118.3 Å²	118.3	86%	0.855	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-52.2	118.1	174.3	-67.4	-79.4	4.5	0	0	112.2
549	L	22.4	Very low	25.1	Very low	157 Å²	157	124.5 Å²	124.5	82%	0.822	73%	0.725	S	S	*	*			trans	-95.4	106	154.5	-106.6	113	0	0	0	107.7	P547	P547-L549 PolarHBondContact O-N 2.78Å
550	S	18.6	Very low	24.3	Very low	100 Å²	100	130.7 Å²	130.7	70%	0.699	76%	0.76	S	S	*	*			trans	-72.1	128	169.5	49.9	0	0	0	0	111.2
551	Y	25.1	Very low	23.1	Very low	212 Å²	212	133.2 Å²	133.2	83%	0.831	78%	0.778	S	S	*	*			trans	-144.3	145.6	151	-92.6	-80.1	0	0	0	109.9
552	P	26.9	Very low	22.9	Very low	101 Å²	101	138.5 Å²	138.5	66%	0.656	79%	0.791	S	S	*	*			trans	-98.7	161.1	-143.1	37	-34.9	0	0	0	115.4
553	D	19.2	Very low	22.5	Very low	160 Å²	160	139.1 Å²	139.1	86%	0.856	79%	0.791	S	S	*	*			trans	-53.8	132.9	174.7	-65.3	-53.6	0	0	0	113.5
554	F	23.6	Very low	22.2	Very low	202 Å²	202	144.8 Å²	144.8	89%	0.886	81%	0.806	S	S	*	*			trans	-122.4	93.5	157.4	-88.9	-83.4	0	0	0	109.3
555	S	19	Very low	21.8	Very low	94 Å²	94	144.3 Å²	144.3	66%	0.657	80%	0.803	S	S	*	*			trans	-78.3	158.1	149.9	60.3	0	0	0	0	110
556	T	22.7	Very low	21.8	Very low	125 Å²	125	146 Å²	146	77%	0.767	80%	0.803	S	S	*	*			trans	84.3	99.7	170.6	66.3	0	0	0	0	118
557	S	18.8	Very low	21.6	Very low	111 Å²	111	145 Å²	145	78%	0.776	80%	0.795	S	S	*	*				22.9	113.2	126.1	55.6	0	0	0	0	118.3
558	C	21.3	Very low	21.3	Very low	133 Å²	133	147.9 Å²	147.9	90%	0.899	80%	0.798	S	S	*	*			trans	-163.9	131.7	134.3	-124.6	0	0	0	0	110.5
559	E	18.2	Very low	21.2	Very low	186 Å²	186	144.1 Å²	144.1	87%	0.869	79%	0.792	S	S	*	*			trans	-58.6	134.9	164.2	-66.7	166.1	136.8	0	0	109.6
560	L	22.7	Very low	21.4	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	79%	0.786	S	S	*	*			trans	-154.8	117.5	146.1	-95.8	177.1	0	0	0	109.3
561	T	17.7	Very low	21.6	Very low	121 Å²	121	145 Å²	145	74%	0.742	79%	0.794	S	S	*	*			trans	-47.4	135.5	155.4	44.6	0	0	0	0	111.9
562	E	23	Very low	21.4	Very low	181 Å²	181	139.6 Å²	139.6	85%	0.846	79%	0.788	S	S	*	*			trans	-170.5	112.6	135.3	-106.5	169.6	-162.3	0	0	111.4
563	T	18.4	Very low	21.2	Very low	112 Å²	112	141.3 Å²	141.3	69%	0.687	80%	0.796	S	S	*	*			trans	-8.8	124	149.3	46.4	0	0	0	0	118.1
564	F	22.5	Very low	21.2	Very low	217 Å²	217	138.5 Å²	138.5	95%	0.952	79%	0.789	S	S	*	*			trans	-136.7	106.2	136	-93.9	-80.1	0	0	0	109.9
565	S	17.4	Very low	21.1	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	78%	0.781	S	S	*	*			trans	-70.2	143.4	169.5	-54.7	0	0	0	0	111.7
566	L	24	Very low	21.2	Very low	163 Å²	163	134.4 Å²	134.4	85%	0.853	79%	0.785	S	S	*	*			trans	-163.4	95.6	142.5	-87.1	176.1	0	0	0	105.1
567	S	21.7	Very low	21.3	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	79%	0.788	S	S	*	*				55.1	127.3	97.9	67.2	0	0	0	0	113.1
568	E	21.7	Very low	21.4	Very low	185 Å²	185	135.9 Å²	135.9	86%	0.864	79%	0.79	S	S	*	*			cis	-169	142.7	16.1	-114.1	173.7	-176.4	0	0	107.3
569	S	19.9	Very low	21.2	Very low	103 Å²	103	132.6 Å²	132.6	72%	0.72	78%	0.778	S	S	*	*			trans	-60.2	174.4	154.7	43.1	0	0	0	0	111.8
570	P	27.9	Very low	21.4	Very low	109 Å²	109	134.1 Å²	134.1	71%	0.708	78%	0.782	S	S	*	*			cis	-145	171.3	24.3	38.7	-17.2	0	0	0	116.1
571	L	22.8	Very low	21.2	Very low	166 Å²	166	134 Å²	134	87%	0.869	78%	0.777	S	S	*	*				-175.7	119.4	126	-94.2	162.9	0	0	0	109.8
572	S	19.5	Very low	21.4	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	78%	0.78	S	S	*	*			trans	-57.5	148.7	167.5	48.8	0	0	0	0	113.5
573	V	24.1	Very low	21.1	Very low	137 Å²	137	135.2 Å²	135.2	83%	0.83	77%	0.774	S	S	*	*				-164.2	129.7	113.5	167.1	0	0	0	0	108.6
574	S	19.5	Very low	21.3	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	78%	0.782	S	S	*	*			trans	-58.3	147.9	171.9	49.2	0	0	0	0	114.8
575	S	21.5	Very low	21.1	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	77%	0.772	S	S	*	*				159	117.7	108.3	50.4	0	0	0	0	112.3
576	S	20	Very low	21.2	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	78%	0.776	S	S	*	*			trans	37.9	124.9	138.9	52.5	0	0	0	0	120.3
577	V	24.4	Very low	21.1	Very low	136 Å²	136	136 Å²	136	82%	0.824	77%	0.773	S	S	*	*				-160.2	131.1	107.3	168.5	0	0	0	0	109.3
578	T	20.7	Very low	21.1	Very low	132 Å²	132	137 Å²	137	81%	0.81	78%	0.778	S	S	*	*			trans	-37.5	142.6	167.7	51	0	0	0	0	114
579	G	18.6	Very low	21.3	Very low	63 Å²	63	135.6 Å²	135.6	65%	0.649	78%	0.775	S	S	*	*				119.2	125.4	52.3	0	0	0	0	0	107.2
580	F	21.9	Very low	21.1	Very low	218 Å²	218	139.3 Å²	139.3	96%	0.956	78%	0.781	S	S	*	*			trans	-176.6	99.4	148.5	-99	-68.1	0	0	0	107.2
581	E	18	Very low	20.8	Very low	166 Å²	166	144.6 Å²	144.6	78%	0.776	79%	0.787	S	S	*	*			trans	-75.1	135.8	165.3	-65.2	175.7	126.5	0	0	108.9
582	E	22.1	Very low	20.6	Very low	173 Å²	173	141.7 Å²	141.7	81%	0.808	78%	0.781	S	S	*	*			trans	-133.9	99.1	150	-84.2	-171.1	163.8	0	0	108.2
583	Q	17.7	Very low	20.9	Very low	155 Å²	155	145.1 Å²	145.1	72%	0.724	79%	0.785	S	S	*	*			trans	-75.4	124.6	162.2	-70.8	173.9	-11	0	0	108.3
584	Y	21.1	Very low	20.6	Very low	215 Å²	215	147.5 Å²	147.5	84%	0.843	79%	0.787	S	S	*	*			trans	-123.5	105.3	153.6	-86.6	-79.7	0	0	0	108.5
585	T	19.3	Very low	20.8	Very low	122 Å²	122	150.8 Å²	150.8	75%	0.748	80%	0.795	S	S	*	*			trans	-82.9	158.4	171.4	36.4	0	0	0	0	111.3
586	N	19.2	Very low	20.7	Very low	150 Å²	150	152 Å²	152	80%	0.802	80%	0.799	S	S	*	*			trans	-42.9	167.1	-176.7	-62	-46.5	0	0	0	117.5
587	P	21.6	Very low	20.6	Very low	124 Å²	124	154.8 Å²	154.8	81%	0.805	80%	0.8	S	S	*	*				-137.7	148.4	107.9	36.5	-25.1	0	0	0	115
588	P	22.9	Very low	20.5	Very low	114 Å²	114	154.2 Å²	154.2	74%	0.74	80%	0.799	S	S	*	*			trans	-102.7	142.7	167.2	36.4	-26.5	0	0	0	111.2
589	I	24.2	Very low	20.4	Very low	155 Å²	155	152.8 Å²	152.8	80%	0.795	79%	0.794	S	S	*	*			trans	-142.9	108.5	162.3	-63.1	-175.9	0	0	0	109.7
590	E	16.8	Very low	20.6	Very low	181 Å²	181	156.3 Å²	156.3	85%	0.846	80%	0.803	S	S	*	*			trans	-62.7	141.6	151.3	-72.5	170.2	132.2	0	0	110.2
591	R	21.9	Very low	20.7	Very low	219 Å²	219	152.1 Å²	152.1	83%	0.826	80%	0.795	S	S	*	*			trans	-159.2	110.6	144.5	-111.4	178	-150.6	-149.7	6.6	111.9
592	S	17.1	Very low	20.8	Very low	106 Å²	106	153.5 Å²	153.5	74%	0.741	80%	0.801	S	S	*	*			trans	-61.6	137.1	160.3	-29.6	0	0	0	0	110.7
593	H	26.1	Very low	20.8	Very low	171 Å²	171	150 Å²	150	79%	0.792	80%	0.796	S	S	*	*			trans	-146.8	120	150.3	-89.1	-71.6	0	0	0	110.3
594	Q	18.3	Very low	21.1	Very low	188 Å²	188	148.7 Å²	148.7	88%	0.879	80%	0.8	S	S	*	*			trans	-69.1	137.6	168	-64.6	158.7	-32.1	0	0	110.2
595	I	23.4	Very low	21.2	Very low	168 Å²	168	145.6 Å²	145.6	86%	0.862	80%	0.797	S	S	*	*			trans	-143.8	137.4	145	-60.8	-172.5	0	0	0	109.2
596	T	19.5	Very low	21.2	Very low	129 Å²	129	147.3 Å²	147.3	79%	0.791	80%	0.8	S	S	*	*			trans	-69.1	148.9	-172.2	21.4	0	0	0	0	117.6
597	Q	18	Very low	21.4	Very low	166 Å²	166	146.1 Å²	146.1	78%	0.776	80%	0.798	S	S	*	*			trans	3.8	141.1	148.5	-68.1	-114.2	-5.7	0	0	119.5
598	P	21.8	Very low	21.4	Very low	124 Å²	124	144.6 Å²	144.6	81%	0.805	79%	0.791	S	S	*	*				-144.6	163.3	83.8	37.5	-19.6	0	0	0	117.5
599	S	18.5	Very low	21.6	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	79%	0.788	S	S	*	*			trans	-58.3	128.6	178.1	-18.3	0	0	0	0	115.2
600	V	24.2	Very low	21.6	Very low	137 Å²	137	146 Å²	146	83%	0.83	79%	0.79	S	S	*	*			trans	-145.2	116.5	151.9	-179.6	0	0	0	0	110.2
601	V	22.6	Very low	22.1	Very low	129 Å²	129	144.3 Å²	144.3	78%	0.782	79%	0.787	S	S	*	*			trans	23.8	117.1	151.6	-172.1	0	0	0	0	119	S603	V601-S603 PolarHBondContact O-N 2.84Å
602	Q	21.3	Very low	22.2	Very low	196 Å²	196	137.6 Å²	137.6	92%	0.916	77%	0.774	S	S	*	*			trans	-54.9	120.9	169.3	-67.2	166.7	-16.1	0	0	112
603	S	21	Very low	22.9	Very low	100 Å²	100	136.8 Å²	136.8	70%	0.699	77%	0.766	S	S	*	*			trans	-123.3	145.4	154	45.5	0	0	0	0	108.5	V601 I605	V601-S603 PolarHBondContact O-N 2.84Å; S603-I605 PolarHBondContact O-N 3.39Å
604	P	23.9	Very low	23.5	Very low	126 Å²	126	133 Å²	133	82%	0.818	76%	0.755	S	S	*	*			trans	-71	119.5	-158.9	-12.6	27.8	0	0	0	110.8	I606	P604-I606 PolarHBondContact O-N 2.94Å
605	I	23.4	Very low	24.9	Very low	150 Å²	150	129 Å²	129	77%	0.769	75%	0.745	S	S	*	*			trans	-66.5	109.1	171.7	-64.2	172.7	0	0	0	107.3	S603 T607	S603-I605 PolarHBondContact O-N 3.39Å; I605-T607 VanDerWaalsContact C-N 3.33Å; I605-T607 PolarHBondContact O-N 2.86Å
606	I	20.7	Very low	26.3	Very low	159 Å²	159	124.2 Å²	124.2	82%	0.815	72%	0.721	S	S	*	*			trans	-54.1	97.4	164	-63.2	167.9	0	0	0	107	P604 S608	P604-I606 PolarHBondContact O-N 2.94Å; I606-S608 VanDerWaalsContact C-N 3.32Å; I606-S608 PolarHBondContact O-N 2.84Å
607	T	22.2	Very low	28.2	Very low	124 Å²	124	121.9 Å²	121.9	76%	0.761	71%	0.708	S	S	*	*			trans	-73.8	91.4	171.1	32.4	0	0	0	0	108	I605	I605-T607 VanDerWaalsContact C-N 3.33Å; I605-T607 PolarHBondContact O-N 2.86Å
608	S	21.7	Very low	30.4	Very low	93 Å²	93	124.2 Å²	124.2	65%	0.65	72%	0.715	S	S	*	*			trans	-49.5	126.9	162.8	55.5	0	0	0	0	109.2	I606 K610	I606-S608 VanDerWaalsContact C-N 3.32Å; I606-S608 PolarHBondContact O-N 2.84Å; S608-K610 PolarHBondContact O-N 2.69Å
609	P	26.7	Very low	32.7	Very low	106 Å²	106	124 Å²	124	69%	0.688	71%	0.708	S	S	*	*			trans	-68.3	110.3	-174.7	25.1	-30.8	0	0	0	109.3	N611	P609-N611 PolarHBondContact O-N 3.08Å
610	K	24.7	Very low	35.7	Very low	193 Å²	193	120.5 Å²	120.5	84%	0.839	68%	0.683	S	S	*	*			trans	-64.2	89	166.6	-73.7	-178	176.9	178.3	0	108.1	S608 S612	S608-K610 PolarHBondContact O-N 2.69Å; K610-S612 PolarHBondContact O-N 3.04Å
611	N	26.2	Very low	38.5	Very low	144 Å²	144	118 Å²	118	77%	0.77	67%	0.665	S	S	*	*			trans	-73.8	68.2	173.2	-83.2	-37.2	0	0	0	110.5	P609	P609-N611 PolarHBondContact O-N 3.08Å
612	S	25.9	Very low	41.7	Very low	79 Å²	79	115.2 Å²	115.2	55%	0.552	65%	0.645	S	S	*	*	S	Bend	trans	-131.7	134.2	162.5	57.2	0	0	0	0	108	K610 T614	K610-S612 PolarHBondContact O-N 3.04Å; S612-T614 PolarHBondContact O-N 3.23Å
613	P	31.4	Very low	44.7	Very low	89 Å²	89	106.2 Å²	106.2	58%	0.578	60%	0.603	S	S	*	*			trans	-56.7	114.8	-177.7	21.9	-30.7	0	0	0	110	I532 P615	I532-P613 HydrophobicContact CG1-CB 4.29Å; P613-P615 WeakPolarHBondContact O-CD 3.37Å
614	T	38.9	Very low	48.1	Very low	90 Å²	90	107 Å²	107	55%	0.552	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-59.4	122.8	173	-44.8	0	0	0	0	107.8	I532 S612	I532-T614 WeakPolarHBondContact CD1-O 3.32Å; I532-T614 WeakPolarHBondContact CG1-O 3.42Å; S612-T614 PolarHBondContact O-N 3.23Å
615	P	46.4	Very low	51.3	Low	104 Å²	104	101 Å²	101	68%	0.675	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-58.7	148.8	175.7	-21.8	31.9	0	0	0	111.3	P613	P613-P615 WeakPolarHBondContact O-CD 3.37Å
616	L	53	Low	54.7	Low	69 Å²	69	96.1 Å²	96.1	36%	0.361	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-53.2	133.2	172.1	-78.9	161.8	0	0	0	108.8	A489 I532 K618	A489-L616 HydrophobicContact CB-CD2 3.84Å; I532-L616 HydrophobicContact CD1-CD2 4.25Å; I532-L616 HydrophobicContact CD1-CG 3.9Å; I532-L616 HydrophobicContact CG2-CG 4.47Å; L616-K618 PolarHBondContact O-N 3.19Å
617	P	60.4	Low	58.1	Low	79 Å²	79	88.6 Å²	88.6	51%	0.513	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-49.7	135	166.5	-22.7	29.8	0	0	0	109.3	N619 S620	P617-N619 PolarHBondContact O-N 3Å; P617-S620 WeakPolarHBondContact CD-OG 3.46Å; P617-S620 PolarHBondContact O-N 3.02Å; P617-S620 VanDerWaalsContact O-N 3.1Å; P617-S620 PolarHBondContact O-OG 3.07Å
618	K	63.8	Low	61.3	Low	215 Å²	215	83.7 Å²	83.7	94%	0.935	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-13.1	-174.7	-73	-175.4	177.2	-178.8	0	114.4	L616	L616-K618 PolarHBondContact O-N 3.19Å
619	N	69.8	Low	64.6	Low	120 Å²	120	79.5 Å²	79.5	64%	0.642	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	24.9	-177.2	-67.5	-1.8	0	0	0	114.4	P617 L621	P617-N619 PolarHBondContact O-N 3Å; N619-L621 PolarHBondContact O-N 3.24Å
620	S	81.1	Confident	67.5	Low	29 Å²	29	78.3 Å²	78.3	20%	0.203	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-64.4	132.3	176.3	-69	0	0	0	0	112.4	N494 P617 L622	N494-S620 VanDerWaalsContact OD1-CA 3.25Å; N494-S620 WeakPolarHBondContact OD1-CA 3.09Å; P617-S620 WeakPolarHBondContact CD-OG 3.46Å; P617-S620 PolarHBondContact O-N 3.02Å; P617-S620 VanDerWaalsContact O-N 3.1Å; P617-S620 PolarHBondContact O-OG 3.07Å; S620-L622 PolarHBondContact O-N 3.03Å
621	L	84.3	Confident	70.8	Confident	84 Å²	84	69.1 Å²	69.1	44%	0.44	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-68.5	116.7	168.6	179.8	66.9	0	0	0	109.2	C493 N494 N619 T623	C493-L621 HydrophobicContact CB-CD2 4.5Å; N494-L621 PolarHBondContact ND2-O 3.24Å; N494-L621 PolarHBondContact OD1-N 3.45Å; N619-L621 PolarHBondContact O-N 3.24Å; L621-T623 HydrophobicContact CD2-CG2 4.49Å; L621-T623 HydrophobicContact CG-CG2 4.36Å
622	L	88.4	Confident	73.9	Confident	70 Å²	70	63.3 Å²	63.3	37%	0.366	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-84.7	141.5	173.5	-55.5	174.6	0	0	0	109.6	G485 A486 Y488 A489 S620	G485-L622 WeakPolarHBondContact O-CB 3.31Å; A486-L622 WeakPolarHBondContact O-CD1 3.47Å; Y488-L622 CarbonylContact O-C 3.56Å; Y488-L622 VanDerWaalsContact O-CA 3.3Å; Y488-L622 WeakPolarHBondContact O-CA 3.22Å; A489-L622 HydrophobicContact CB-CD2 4.11Å; S620-L622 PolarHBondContact O-N 3.03Å
623	T	85.4	Confident	77	Confident	7 Å²	7	65.6 Å²	65.6	4%	0.043	35%	0.348	C	S	.	.			trans	-134.4	145.1	-170.9	54.2	0	0	0	0	110.2	Y488 C490 C493 L621	Y488-T623 WeakPolarHBondContact CD1-OG1 3.48Å; Y488-T623 PolarHBondContact O-N 2.88Å; Y488-T623 PolarHBondContact O-OG1 2.9Å; C490-T623 HydrophobicContact CB-CG2 4.23Å; C490-T623 WeakPolarHBondContact CB-OG1 3.44Å; C490-T623 PolarHBondContact N-OG1 3.28Å; C493-T623 HydrophobicContact CB-CG2 3.96Å; L621-T623 HydrophobicContact CD2-CG2 4.49Å; L621-T623 HydrophobicContact CG-CG2 4.36Å
624	H	91.2	Very high	80	Confident	116 Å²	116	62.6 Å²	62.6	54%	0.537	33%	0.327	S	S	.	.			trans	-65.1	148	165.9	-67.4	-88.4	0	0	0	110.5	S437 G485	S437-H624 WeakPolarHBondContact CB-O 3.28Å; S437-H624 PolarHBondContact N-O 2.87Å; S437-H624 PolarHBondContact OG-O 3.46Å; G485-H624 PolarHBondContact N-CE1 3.23Å; G485-H624 PolarHBondContact N-ND1 3.01Å
625	A	93	Very high	82.6	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	171.4	174.8	0	0	0	0	0	110.8	I434 Q435 S437 I483 Y488	I434-A625 HydrophobicContact CG2-CB 3.74Å; Q435-A625 CarbonylContact O-C 3.55Å; Q435-A625 WeakPolarHBondContact O-CA 3.4Å; Q435-A625 VanDerWaalsContact O-CB 3.23Å; Q435-A625 WeakPolarHBondContact O-CB 3.35Å; S437-A625 WeakPolarHBondContact OG-CA 3.3Å; S437-A625 PolarHBondContact OG-N 2.91Å; I483-A625 HydrophobicContact CB-CB 4.26Å; I483-A625 HydrophobicContact CD1-CB 4.03Å; I483-A625 PolarHBondContact N-O 3.45Å; I483-A625 PolarHBondContact O-N 3Å; Y488-A625 HydrophobicContact CD1-CB 3.39Å; Y488-A625 HydrophobicContact CE1-CB 3.61Å; Y488-A625 HydrophobicContact CG-CB 4.19Å
626	T	93.3	Very high	84.9	Confident	47 Å²	47	58 Å²	58	29%	0.288	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	171.3	-59.1	0	0	0	0	108.8	I434 Q435 P480	I434-T626 CarbonylContact C-O 3.59Å; I434-T626 WeakPolarHBondContact CA-O 3.46Å; Q435-T626 PolarHBondContact N-O 2.92Å; Q435-T626 PolarHBondContact O-N 2.81Å; P480-T626 HydrophobicContact CB-CG2 3.6Å
627	Q	92.2	Very high	87	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.6	175.7	-169.6	-175.6	25	0	0	111.3	S432 H433 I434 P480 S481 I483 I535 A536 R539	S432-Q627 PolarHBondContact OG-NE2 2.9Å; H433-Q627 CarbonylContact O-C 3.59Å; H433-Q627 VanDerWaalsContact O-CA 3.27Å; H433-Q627 WeakPolarHBondContact O-CA 3.34Å; I434-Q627 HydrophobicContact CG1-CB 4.48Å; I434-Q627 HydrophobicContact CG1-CG 4.1Å; P480-Q627 CarbonylContact C-O 3.57Å; P480-Q627 WeakPolarHBondContact CA-O 3.48Å; S481-Q627 PolarHBondContact N-O 3.32Å; S481-Q627 PolarHBondContact O-N 3.42Å; I483-Q627 HydrophobicContact CD1-CB 3.79Å; I483-Q627 HydrophobicContact CG1-CB 3.99Å; I535-Q627 VanDerWaalsContact CG2-OE1 3.31Å; A536-Q627 VanDerWaalsContact N-NE2 3.16Å; R539-Q627 PolarHBondContact NH2-O 3.46Å
628	T	90.9	Very high	88.7	Confident	21 Å²	21	51 Å²	51	13%	0.129	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.5	172.7	-54.4	0	0	0	0	109.1	H433 V478 P480 R630	H433-T628 PolarHBondContact N-O 2.8Å; H433-T628 PolarHBondContact O-N 3.22Å; V478-T628 VanDerWaalsContact O-CG2 3.3Å; V478-T628 WeakPolarHBondContact O-CG2 3.48Å; P480-T628 HydrophobicContact CG-CG2 4.45Å; T628-R630 HydrophobicContact CG2-CG 4.4Å
629	I	90.9	Very high	90.4	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.2	174.7	-61.3	-177.8	0	0	0	108.5	F477 V478 A536	F477-I629 HydrophobicContact CE1-CB 4.43Å; F477-I629 HydrophobicContact CE1-CG2 3.83Å; F477-I629 HydrophobicContact CZ-CD1 4.16Å; F477-I629 HydrophobicContact CZ-CG2 4.27Å; V478-I629 WeakPolarHBondContact CA-O 3.32Å; V478-I629 WeakPolarHBondContact CB-O 3.19Å; A536-I629 HydrophobicContact CB-CD1 4.36Å
630	R	86.4	Confident	91.7	Very high	81 Å²	81	35.5 Å²	35.5	31%	0.306	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.9	174.5	-59.2	-68.8	-161.6	178.6	5.2	110.1	S430 V431 T628 L672	S430-R630 CarbonylContact C-O 3.59Å; S430-R630 WeakPolarHBondContact CA-O 3.37Å; S430-R630 WeakPolarHBondContact CB-O 3.49Å; V431-R630 PolarHBondContact N-O 3.11Å; V431-R630 PolarHBondContact O-N 2.97Å; T628-R630 HydrophobicContact CG2-CG 4.4Å; R630-L672 HydrophobicContact CB-CD1 4.34Å; R630-L672 HydrophobicContact CB-CD2 3.24Å; R630-L672 HydrophobicContact CB-CG 3.59Å; R630-L672 HydrophobicContact CG-CD2 3.58Å; R630-L672 HydrophobicContact CG-CG 4.45Å
631	L	93.3	Very high	92.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.4	179.4	-53.5	178.8	0	0	0	109.8	I449 L452 L634 M667 F670 V671 L672	I449-L631 HydrophobicContact CD1-CD2 3.63Å; L452-L631 HydrophobicContact CD1-CD1 4.25Å; L452-L631 HydrophobicContact CD2-CD2 4.19Å; L631-L634 HydrophobicContact CB-CD2 4.06Å; L631-L634 HydrophobicContact CD1-CD2 3.56Å; L631-L634 HydrophobicContact CG-CD2 4.43Å; L631-M667 HydrophobicContact CD1-CE 3.65Å; L631-F670 WeakPolarHBondContact CB-O 3.43Å; L631-F670 HydrophobicContact CD1-CB 3.95Å; L631-F670 WeakPolarHBondContact CG-O 3.46Å; L631-F670 PolarHBondContact N-O 3.45Å; L631-V671 CarbonylContact O-C 3.48Å; L631-V671 VanDerWaalsContact O-CA 3.27Å; L631-V671 WeakPolarHBondContact O-CA 3.4Å; L631-L672 PolarHBondContact O-N 3.33Å
632	S	91.3	Very high	93.2	Very high	21 Å²	21	30.9 Å²	30.9	15%	0.147	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-33.7	176.3	56.8	0	0	0	0	112.1	Y429 E446	Y429-S632 WeakPolarHBondContact CB-OG 3.49Å; Y429-S632 PolarHBondContact O-N 3.07Å; Y429-S632 PolarHBondContact O-OG 3.4Å; E446-S632 WeakPolarHBondContact OE1-CB 3.48Å; E446-S632 PolarHBondContact OE1-OG 3.41Å
633	K	91.8	Very high	93.5	Very high	127 Å²	127	29.6 Å²	29.6	55%	0.552	14%	0.137	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	130.6	179.2	-178.8	173.7	-179.8	174.9	0	110.9	G428 Y429	G428-K633 CarbonylContact C-O 3.49Å; G428-K633 WeakPolarHBondContact CA-O 3.49Å; Y429-K633 HydrophobicContact CD2-CB 4Å; Y429-K633 HydrophobicContact CD2-CD 3.9Å; Y429-K633 HydrophobicContact CD2-CG 4.34Å; Y429-K633 HydrophobicContact CE2-CD 4.14Å; Y429-K633 PolarHBondContact N-O 3.22Å; Y429-K633 PolarHBondContact O-N 2.99Å
634	L	93.8	Very high	93.8	Very high	26 Å²	26	29.3 Å²	29.3	14%	0.136	14%	0.135	C	C	.	.			trans	-86.5	147.5	177.3	-58.1	176.2	0	0	0	111.8	L631 M667 V671 Y724 Y726	L631-L634 HydrophobicContact CB-CD2 4.06Å; L631-L634 HydrophobicContact CD1-CD2 3.56Å; L631-L634 HydrophobicContact CG-CD2 4.43Å; L634-M667 HydrophobicContact CD1-CB 3.48Å; L634-M667 VanDerWaalsContact CD1-CB 3.48Å; L634-M667 HydrophobicContact CD1-CG 4.22Å; L634-M667 HydrophobicContact CD2-CB 4.4Å; L634-M667 HydrophobicContact CD2-CE 4.1Å; L634-V671 HydrophobicContact CD1-CG2 3.72Å; L634-V671 HydrophobicContact CD2-CG2 3.97Å; L634-V671 HydrophobicContact CG-CG2 3.79Å; L634-Y724 HydrophobicContact CD1-CD1 3.99Å; L634-Y726 WeakPolarHBondContact CB-OH 3.36Å; L634-Y726 HydrophobicContact CD1-CE2 3.81Å
635	P	94.8	Very high	93.7	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.026	12%	0.116	C	C	.	.			trans	-75.1	157.1	172.6	32.3	-35.7	0	0	0	111.7	F426 V637 L638 Y726	F426-P635 VanDerWaalsContact O-CB 3.3Å; F426-P635 WeakPolarHBondContact O-CB 3.22Å; P635-V637 VanDerWaalsContact C-N 3.27Å; P635-V637 PolarHBondContact O-N 3.28Å; P635-L638 HydrophobicContact CG-CB 4.16Å; P635-L638 HydrophobicContact CG-CD1 3.95Å; P635-Y726 VanDerWaalsContact O-CE1 3.3Å; P635-Y726 WeakPolarHBondContact O-CE1 3.05Å; P635-Y726 PolarHBondContact O-OH 3.47Å
636	R	93.6	Very high	93.4	Very high	93 Å²	93	28.5 Å²	28.5	35%	0.351	13%	0.128	S	C	.	.	S	Bend	trans	-65	-35	173.1	-66.4	-172.5	68.8	-170.9	-0.6	112.2	R424 A425 E784 M786	R424-R636 WeakPolarHBondContact O-CD 3.35Å; A425-R636 PolarHBondContact O-N 3.26Å; R636-E784 PolarHBondContact O-N 3.46Å; R636-M786 PolarHBondContact NH2-SD 3.18Å; R636-M786 VanDerWaalsContact NH2-SD 3.41Å
637	V	96.6	Very high	92.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	107.8	172.7	-173.9	0	0	0	0	108.4	T213 P215 A425 F426 P635 F781 Y782	T213-V637 HydrophobicContact CG2-CB 4.39Å; T213-V637 HydrophobicContact CG2-CG1 3.93Å; T213-V637 HydrophobicContact CG2-CG2 3.8Å; P215-V637 HydrophobicContact CB-CG2 4.46Å; P215-V637 HydrophobicContact CG-CG2 3.87Å; A425-V637 PolarHBondContact O-N 3.06Å; F426-V637 HydrophobicContact CD1-CB 3.78Å; F426-V637 HydrophobicContact CD1-CG1 4.01Å; F426-V637 HydrophobicContact CE1-CB 3.75Å; F426-V637 HydrophobicContact CE1-CG1 3.63Å; F426-V637 HydrophobicContact CE1-CG2 4.41Å; P635-V637 VanDerWaalsContact C-N 3.27Å; P635-V637 PolarHBondContact O-N 3.28Å; V637-F781 HydrophobicContact CG1-CD1 3.92Å; V637-Y782 CarbonylContact C-O 3.52Å; V637-Y782 VanDerWaalsContact CA-O 3.31Å; V637-Y782 WeakPolarHBondContact CA-O 3.4Å
638	L	97.5	Very high	92.1	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.8	176.7	-180	67.1	0	0	0	109.9	L452 P635 L640 L665 M667 Y726 Y782	L452-L638 HydrophobicContact CD1-CD1 3.96Å; L452-L638 HydrophobicContact CG-CD1 4.23Å; P635-L638 HydrophobicContact CG-CB 4.16Å; P635-L638 HydrophobicContact CG-CD1 3.95Å; L638-L640 HydrophobicContact CD1-CD2 3.98Å; L638-L640 HydrophobicContact CD2-CD1 4.4Å; L638-L640 HydrophobicContact CD2-CD2 3.91Å; L638-L640 HydrophobicContact CD2-CG 4.26Å; L638-L640 HydrophobicContact CG-CD2 3.76Å; L638-L640 HydrophobicContact CG-CG 4.12Å; L638-L665 HydrophobicContact CD2-CD2 4.03Å; L638-M667 HydrophobicContact CD2-CE 3.99Å; L638-M667 HydrophobicContact CD2-CG 4.08Å; L638-M667 HydrophobicContact CD2-SD 3.74Å; L638-Y726 HydrophobicContact CB-CD1 3.96Å; L638-Y726 HydrophobicContact CB-CE1 3.89Å; L638-Y782 PolarHBondContact N-O 3.05Å; L638-Y782 PolarHBondContact O-N 3.38Å
639	R	98.2	Very high	91.7	Very high	8 Å²	8	38 Å²	38	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.2	174.1	-59.6	-173.7	-59.6	163.4	8.2	109.6	L397 F426 Y450 E451 L452 L780 F781	L397-R639 VanDerWaalsContact CG-NH1 3.35Å; F426-R639 HydrophobicContact CD1-CG 4.02Å; F426-R639 HydrophobicContact CE1-CG 4.29Å; Y450-R639 VanDerWaalsContact C-NH2 3.34Å; Y450-R639 VanDerWaalsContact CB-NH2 3.31Å; Y450-R639 PolarHBondContact O-NE 3.36Å; Y450-R639 PolarHBondContact O-NH2 2.94Å; E451-R639 WeakPolarHBondContact CA-O 3.4Å; E451-R639 HydrophobicContact CB-CB 4.32Å; E451-R639 HydrophobicContact CG-CB 4.13Å; L452-R639 PolarHBondContact N-O 3.25Å; R639-L780 WeakPolarHBondContact CA-O 3.23Å; R639-F781 HydrophobicContact CG-CD1 4.11Å; R639-F781 HydrophobicContact CG-CE1 3.86Å; R639-F781 HydrophobicContact CG-CZ 4.12Å
640	L	98.4	Very high	91.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.3	177.4	-54.4	-179.2	0	0	0	108.7	L452 L454 I470 L474 L638 L665 I779 L780 Y782	L452-L640 HydrophobicContact CB-CD2 3.8Å; L452-L640 HydrophobicContact CD1-CD2 3.85Å; L452-L640 HydrophobicContact CG-CD2 4.14Å; L452-L640 WeakPolarHBondContact O-CA 3.41Å; L454-L640 HydrophobicContact CD1-CB 4.36Å; I470-L640 HydrophobicContact CD1-CD1 4.34Å; I470-L640 HydrophobicContact CG1-CD1 3.86Å; L474-L640 HydrophobicContact CD2-CD2 4.14Å; L638-L640 HydrophobicContact CD1-CD2 3.98Å; L638-L640 HydrophobicContact CD2-CD1 4.4Å; L638-L640 HydrophobicContact CD2-CD2 3.91Å; L638-L640 HydrophobicContact CD2-CG 4.26Å; L638-L640 HydrophobicContact CG-CD2 3.76Å; L638-L640 HydrophobicContact CG-CG 4.12Å; L640-L665 HydrophobicContact CD1-CD2 4.04Å; L640-I779 CarbonylContact O-C 3.52Å; L640-I779 WeakPolarHBondContact O-CA 3.3Å; L640-L780 HydrophobicContact CB-CB 4.3Å; L640-L780 HydrophobicContact CB-CD1 4.33Å; L640-L780 PolarHBondContact N-O 2.92Å; L640-L780 PolarHBondContact O-N 3.45Å; L640-Y782 HydrophobicContact CD1-CD2 4.07Å; L640-Y782 HydrophobicContact CD1-CE2 4.1Å
641	H	98.2	Very high	90.3	Very high	16 Å²	16	48.9 Å²	48.9	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.4	175.6	162.5	-139.3	0	0	0	109.5	Q394 E451 L452 S453 L454 Y778	Q394-H641 HydrophobicContact CG-CB 4.25Å; E451-H641 VanDerWaalsContact CD-CB 3.4Å; E451-H641 HydrophobicContact CG-CB 4.01Å; E451-H641 WeakPolarHBondContact OE1-CB 3.39Å; E451-H641 IonicContact OE2-ND1 3.45Å; L452-H641 PolarHBondContact O-N 2.83Å; S453-H641 CarbonylContact C-O 3.58Å; S453-H641 WeakPolarHBondContact CA-O 3.39Å; S453-H641 PolarHBondContact OG-ND1 2.73Å; L454-H641 PolarHBondContact N-O 2.67Å; H641-Y778 AromaticContact CD2-CE2 3.75Å; H641-Y778 AromaticContact CD2-CZ 3.97Å; H641-Y778 AromaticContact NE2-CE2 3.43Å; H641-Y778 WeakPolarHBondContact NE2-CE2 3.31Å; H641-Y778 AromaticContact NE2-CZ 3.63Å; H641-Y778 PolarHBondContact NE2-OH 3.33Å
642	I	97.7	Very high	89.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.6	175.3	-57.4	179.6	0	0	0	108	L456 I470 R644 V659 A777 Y778 L780	L456-I642 HydrophobicContact CD1-CG2 3.98Å; L456-I642 HydrophobicContact CD2-CG2 4.02Å; L456-I642 HydrophobicContact CG-CG2 3.91Å; I470-I642 HydrophobicContact CD1-CD1 4.01Å; I470-I642 HydrophobicContact CD1-CG1 4.16Å; I642-R644 HydrophobicContact CB-CG 4.4Å; I642-R644 HydrophobicContact CG2-CG 3.87Å; I642-R644 PolarHBondContact O-N 3.45Å; I642-V659 HydrophobicContact CD1-CB 3.87Å; I642-V659 HydrophobicContact CD1-CG1 3.91Å; I642-V659 HydrophobicContact CD1-CG2 4.06Å; I642-V659 HydrophobicContact CG2-CG2 4.37Å; I642-A777 HydrophobicContact CD1-CB 4.33Å; I642-Y778 PolarHBondContact N-O 3.28Å; I642-L780 HydrophobicContact CD1-CD1 3.77Å; I642-L780 HydrophobicContact CG1-CD1 4.05Å
643	K	94.7	Very high	89.2	Confident	44 Å²	44	56.2 Å²	56.2	19%	0.191	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	76.8	-179.6	-67.1	-173.2	172.9	-167	0	111.6	L454 R539 L540	L454-K643 WeakPolarHBondContact O-CB 3.42Å; L454-K643 PolarHBondContact O-N 3.34Å; R539-K643 PolarHBondContact O-NZ 3.4Å; L540-K643 PolarHBondContact O-NZ 2.86Å
644	R	92.2	Very high	89	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	24%	0.235	C	C	.	.			trans	-77.6	-24.5	-179.1	-67.8	-173.6	177.6	-77.3	-3.9	113.3	L456 I642 K654 L655 C657 A777	L456-R644 HydrophobicContact CD1-CG 4.15Å; I642-R644 HydrophobicContact CB-CG 4.4Å; I642-R644 HydrophobicContact CG2-CG 3.87Å; I642-R644 PolarHBondContact O-N 3.45Å; R644-K654 HydrophobicContact CB-CG 4.05Å; R644-K654 CarbonylContact O-C 3.45Å; R644-K654 WeakPolarHBondContact O-CA 3.27Å; R644-L655 PolarHBondContact NH1-O 2.81Å; R644-L655 VanDerWaalsContact NH1-O 3.16Å; R644-L655 PolarHBondContact O-N 2.94Å; R644-C657 PolarHBondContact NH1-O 3.29Å; R644-A777 VanDerWaalsContact CZ-O 3.25Å; R644-A777 PolarHBondContact NE-O 3.44Å; R644-A777 PolarHBondContact NH2-O 3.39Å
645	F	90	Very high	88.8	Confident	31 Å²	31	50 Å²	50	14%	0.136	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.8	-178.3	-60.9	-80.1	0	0	0	110.9	E653 K654 H734 Y778	F645-E653 WeakPolarHBondContact CA-O 3.45Å; F645-K654 HydrophobicContact CD1-CB 3.83Å; F645-K654 HydrophobicContact CD1-CG 4.1Å; F645-K654 HydrophobicContact CE1-CB 3.68Å; F645-K654 HydrophobicContact CE1-CD 4.08Å; F645-K654 HydrophobicContact CE1-CG 3.76Å; F645-K654 HydrophobicContact CZ-CD 4.2Å; F645-K654 HydrophobicContact CZ-CG 4.14Å; F645-H734 AromaticContact CZ-CE1 3.67Å; F645-H734 AromaticContact CZ-CG 3.99Å; F645-H734 AromaticContact CZ-ND1 3.63Å; F645-Y778 AromaticContact CD2-CE2 4Å; F645-Y778 HydrophobicContact CD2-CE2 4Å; F645-Y778 HydrophobicContact CE2-CD2 4.44Å; F645-Y778 AromaticContact CE2-CE2 3.81Å; F645-Y778 HydrophobicContact CE2-CE2 3.81Å
646	R	84.8	Confident	88.5	Confident	68 Å²	68	50.6 Å²	50.6	26%	0.257	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	158	176.1	73.1	177.8	-168.4	123.8	-2.4	110.9	V648 R652 E653	R646-V648 HydrophobicContact CG-CG2 4.24Å; R646-V648 VanDerWaalsContact NH2-CG2 3.33Å; R646-R652 CarbonylContact O-C 3.44Å; R646-R652 WeakPolarHBondContact O-CA 3.3Å; R646-E653 HydrophobicContact CG-CB 4.41Å; R646-E653 IonicContact CZ-OE2 3.37Å; R646-E653 VanDerWaalsContact CZ-OE2 3.31Å; R646-E653 PolarHBondContact N-O 2.8Å; R646-E653 IonicContact NE-OE2 2.94Å; R646-E653 PolarHBondContact NE-OE2 3.02Å; R646-E653 IonicContact NH2-OE2 2.97Å; R646-E653 PolarHBondContact NH2-OE2 2.79Å; R646-E653 PolarHBondContact O-N 2.87Å
647	W	81	Confident	88.4	Confident	126 Å²	126	46.3 Å²	46.3	48%	0.477	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.2	170.8	-70.7	100.7	0	0	0	110.9	R650 Q651 R652	W647-R650 WeakPolarHBondContact CZ3-O 3.41Å; W647-Q651 WeakPolarHBondContact CA-O 3.31Å; W647-R652 HydrophobicContact CD2-CG 3.55Å; W647-R652 HydrophobicContact CE3-CG 3.57Å; W647-R652 HydrophobicContact CG-CG 4.18Å; W647-R652 HydrophobicContact CH2-CG 3.99Å; W647-R652 HydrophobicContact CZ2-CG 4.01Å; W647-R652 HydrophobicContact CZ3-CG 3.78Å
648	V	78.3	Confident	88.2	Confident	68 Å²	68	48.9 Å²	48.9	41%	0.412	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	101.9	168.2	-173.8	0	0	0	0	107.1	R646 R650 Q651 E653	R646-V648 HydrophobicContact CG-CG2 4.24Å; R646-V648 VanDerWaalsContact NH2-CG2 3.33Å; V648-R650 PolarHBondContact O-N 3.2Å; V648-R650 VanDerWaalsContact O-N 3.12Å; V648-Q651 PolarHBondContact N-O 3.17Å; V648-Q651 PolarHBondContact O-N 3.08Å; V648-Q651 VanDerWaalsContact O-N 3.1Å; V648-E653 HydrophobicContact CG2-CB 4.09Å
649	G	82.3	Confident	88.2	Confident	76 Å²	76	48.8 Å²	48.8	78%	0.784	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	-116.6	-170	0	0	0	0	0	111.1
650	R	77.7	Confident	88.1	Confident	222 Å²	222	50.6 Å²	50.6	84%	0.838	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.4	-179.5	-63	-176.4	-178	175.8	1.3	114.3	W647 V648	W647-R650 WeakPolarHBondContact CZ3-O 3.41Å; V648-R650 PolarHBondContact O-N 3.2Å; V648-R650 VanDerWaalsContact O-N 3.12Å
651	Q	69.9	Low	88	Confident	91 Å²	91	51.1 Å²	51.1	43%	0.425	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	153.7	-176.3	-66.7	-174.7	-20.2	0	0	110.6	W647 V648	W647-Q651 WeakPolarHBondContact CA-O 3.31Å; V648-Q651 PolarHBondContact N-O 3.17Å; V648-Q651 PolarHBondContact O-N 3.08Å; V648-Q651 VanDerWaalsContact O-N 3.1Å
652	R	79.5	Confident	87.8	Confident	102 Å²	102	52.5 Å²	52.5	39%	0.385	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.1	169.9	-74.3	-173.7	179	-168.3	2.6	110	R646 W647	R646-R652 CarbonylContact O-C 3.44Å; R646-R652 WeakPolarHBondContact O-CA 3.3Å; W647-R652 HydrophobicContact CD2-CG 3.55Å; W647-R652 HydrophobicContact CE3-CG 3.57Å; W647-R652 HydrophobicContact CG-CG 4.18Å; W647-R652 HydrophobicContact CH2-CG 3.99Å; W647-R652 HydrophobicContact CZ2-CG 4.01Å; W647-R652 HydrophobicContact CZ3-CG 3.78Å
653	E	81.9	Confident	87.5	Confident	75 Å²	75	53.6 Å²	53.6	35%	0.35	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.7	175.7	179.3	179.6	-143.7	0	0	109.4	F645 R646 V648	F645-E653 WeakPolarHBondContact CA-O 3.45Å; R646-E653 HydrophobicContact CG-CB 4.41Å; R646-E653 IonicContact CZ-OE2 3.37Å; R646-E653 VanDerWaalsContact CZ-OE2 3.31Å; R646-E653 PolarHBondContact N-O 2.8Å; R646-E653 IonicContact NE-OE2 2.94Å; R646-E653 PolarHBondContact NE-OE2 3.02Å; R646-E653 IonicContact NH2-OE2 2.97Å; R646-E653 PolarHBondContact NH2-OE2 2.79Å; R646-E653 PolarHBondContact O-N 2.87Å; V648-E653 HydrophobicContact CG2-CB 4.09Å
654	K	87.9	Confident	87.3	Confident	10 Å²	10	52.4 Å²	52.4	4%	0.043	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.4	172.3	-171.2	-165.3	178.7	-159.9	0	111	R644 F645 H734 G736 R737	R644-K654 HydrophobicContact CB-CG 4.05Å; R644-K654 CarbonylContact O-C 3.45Å; R644-K654 WeakPolarHBondContact O-CA 3.27Å; F645-K654 HydrophobicContact CD1-CB 3.83Å; F645-K654 HydrophobicContact CD1-CG 4.1Å; F645-K654 HydrophobicContact CE1-CB 3.68Å; F645-K654 HydrophobicContact CE1-CD 4.08Å; F645-K654 HydrophobicContact CE1-CG 3.76Å; F645-K654 HydrophobicContact CZ-CD 4.2Å; F645-K654 HydrophobicContact CZ-CG 4.14Å; K654-H734 WeakPolarHBondContact CE-ND1 3.49Å; K654-H734 PolarHBondContact NZ-ND1 2.78Å; K654-H734 PolarHBondContact NZ-O 3.06Å; K654-G736 WeakPolarHBondContact CD-O 3.4Å; K654-G736 WeakPolarHBondContact CE-O 3.4Å; K654-G736 PolarHBondContact NZ-O 3.28Å; K654-R737 WeakPolarHBondContact CB-O 3.44Å; K654-R737 PolarHBondContact N-O 3Å
655	L	89.7	Confident	87.4	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.058	26%	0.259	C	S	.	.			trans	-78.9	121.3	172.1	-60.4	172.1	0	0	0	110.7	L456 R644	L456-L655 HydrophobicContact CB-CD1 3.9Å; L456-L655 HydrophobicContact CD1-CB 3.72Å; L456-L655 HydrophobicContact CD1-CD1 3.72Å; L456-L655 HydrophobicContact CD1-CG 4.38Å; L456-L655 HydrophobicContact CG-CD1 4.46Å; R644-L655 PolarHBondContact NH1-O 2.81Å; R644-L655 VanDerWaalsContact NH1-O 3.16Å; R644-L655 PolarHBondContact O-N 2.94Å
656	T	88.9	Confident	87.6	Confident	18 Å²	18	52.9 Å²	52.9	11%	0.11	26%	0.263	C	S	.	.			trans	-97.5	-5.2	-172.4	52.9	0	0	0	0	114.2	Q776	T656-Q776 VanDerWaalsContact C-NE2 3.3Å; T656-Q776 PolarHBondContact O-NE2 2.85Å
657	C	90.7	Very high	88	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.014	25%	0.251	C	S	.	.			trans	-51.1	140.1	176.8	55.1	0	0	0	0	112.1	C460 C466 F468 R644	C460-C657 HydrophobicContact CB-CB 3.96Å; C466-C657 WeakPolarHBondContact O-CB 3.15Å; F468-C657 HydrophobicContact CD2-CB 4.39Å; F468-C657 HydrophobicContact CE2-CB 3.99Å; R644-C657 PolarHBondContact NH1-O 3.29Å
658	H	93.1	Very high	88.5	Confident	55 Å²	55	45.5 Å²	45.5	26%	0.255	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.9	176.8	-177.8	-90.2	0	0	0	109.9	T467 F468 S660 A773	T467-H658 WeakPolarHBondContact CA-O 3.3Å; T467-H658 HydrophobicContact CG2-CB 4.25Å; F468-H658 PolarHBondContact N-O 2.7Å; H658-S660 PolarHBondContact ND1-N 2.85Å; H658-A773 PolarHBondContact NE2-O 3.1Å; H658-A773 VanDerWaalsContact NE2-O 3.09Å
659	V	96.2	Very high	89.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.2	171.3	-179.1	0	0	0	0	105.6	L456 F468 I470 L473 I642 F661	L456-V659 HydrophobicContact CD2-CG2 3.65Å; F468-V659 HydrophobicContact CB-CG2 4.36Å; F468-V659 HydrophobicContact CD2-CG2 4.47Å; F468-V659 CarbonylContact O-C 3.59Å; F468-V659 WeakPolarHBondContact O-CA 3.44Å; I470-V659 HydrophobicContact CB-CG1 4.19Å; I470-V659 HydrophobicContact CD1-CG1 4.16Å; L473-V659 HydrophobicContact CD1-CG1 3.86Å; L473-V659 HydrophobicContact CD1-CG2 4.22Å; I642-V659 HydrophobicContact CD1-CB 3.87Å; I642-V659 HydrophobicContact CD1-CG1 3.91Å; I642-V659 HydrophobicContact CD1-CG2 4.06Å; I642-V659 HydrophobicContact CG2-CG2 4.37Å; V659-F661 WeakPolarHBondContact O-CD1 3.44Å; V659-F661 WeakPolarHBondContact O-CE1 3.41Å
660	S	96.8	Very high	89.5	Confident	47 Å²	47	43.7 Å²	43.7	33%	0.329	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	142.2	171.6	60.2	0	0	0	0	110	F468 D469 I470 H658	F468-S660 PolarHBondContact O-N 3.38Å; F468-S660 PolarHBondContact O-OG 3.39Å; D469-S660 WeakPolarHBondContact CA-OG 3.37Å; I470-S660 WeakPolarHBondContact CB-O 3.36Å; I470-S660 PolarHBondContact N-O 3.11Å; H658-S660 PolarHBondContact ND1-N 2.85Å
661	F	97.7	Very high	90.1	Very high	10 Å²	10	33.6 Å²	33.6	4%	0.044	17%	0.171	C	C	.	.			trans	-143.2	131.2	179.4	46.7	-92.4	0	0	0	109	I470 V659 L728 V731 V772 A777 L780	I470-F661 HydrophobicContact CB-CB 4.15Å; I470-F661 HydrophobicContact CG2-CB 3.88Å; V659-F661 WeakPolarHBondContact O-CD1 3.44Å; V659-F661 WeakPolarHBondContact O-CE1 3.41Å; F661-L728 HydrophobicContact CD2-CD2 3.91Å; F661-L728 HydrophobicContact CE2-CD2 3.84Å; F661-V731 HydrophobicContact CE2-CG2 3.96Å; F661-V731 HydrophobicContact CZ-CG1 4.42Å; F661-V731 HydrophobicContact CZ-CG2 4.27Å; F661-V772 HydrophobicContact CE2-CG1 4.4Å; F661-V772 WeakPolarHBondContact CZ-O 3.05Å; F661-A777 HydrophobicContact CD1-CB 3.99Å; F661-A777 HydrophobicContact CE1-CB 3.48Å; F661-A777 VanDerWaalsContact CE1-CB 3.48Å; F661-A777 HydrophobicContact CZ-CB 4.04Å; F661-L780 HydrophobicContact CB-CD2 3.59Å; F661-L780 HydrophobicContact CD1-CD2 3.66Å; F661-L780 HydrophobicContact CD2-CD2 3.52Å; F661-L780 HydrophobicContact CE1-CD2 4.22Å; F661-L780 HydrophobicContact CE2-CD2 4.07Å; F661-L780 HydrophobicContact CG-CD2 3.29Å; F661-L780 HydrophobicContact CZ-CD2 4.38Å
662	P	94	Very high	90.8	Very high	45 Å²	45	29.5 Å²	29.5	29%	0.292	15%	0.152	S	C	.	.			trans	-79.8	153.2	-174.4	33.6	-35.9	0	0	0	110.8	I470 I664 L665 Y782	I470-P662 VanDerWaalsContact CG2-CD 3.46Å; P662-I664 VanDerWaalsContact C-N 3.27Å; P662-I664 WeakPolarHBondContact CB-O 3.45Å; P662-I664 WeakPolarHBondContact CG-O 3.49Å; P662-I664 PolarHBondContact O-N 3.01Å; P662-L665 HydrophobicContact CG-CB 4.32Å; P662-L665 HydrophobicContact CG-CD1 4.12Å; P662-Y782 WeakPolarHBondContact O-CE1 3.15Å; P662-Y782 PolarHBondContact O-OH 2.99Å
663	L	89.9	Confident	90.9	Very high	24 Å²	24	29.5 Å²	29.5	13%	0.126	16%	0.159	C	C	.	.	S	Bend	trans	-63.7	-37.2	173.3	-173.2	44.2	0	0	0	111.7	H727 L728 W756 F769 W794	L663-H727 CarbonylContact O-C 3.49Å; L663-H727 WeakPolarHBondContact O-CA 3.43Å; L663-L728 HydrophobicContact CD1-CB 3.95Å; L663-L728 PolarHBondContact O-N 3.42Å; L663-W756 HydrophobicContact CD1-CZ2 4.12Å; L663-F769 HydrophobicContact CB-CE1 3.93Å; L663-F769 HydrophobicContact CB-CE2 3.88Å; L663-F769 HydrophobicContact CB-CZ 3.54Å; L663-F769 HydrophobicContact CD1-CD2 3.87Å; L663-F769 HydrophobicContact CD1-CE2 3.69Å; L663-F769 HydrophobicContact CD1-CZ 4.29Å; L663-F769 HydrophobicContact CD2-CD1 4.03Å; L663-F769 HydrophobicContact CD2-CD2 4.06Å; L663-F769 HydrophobicContact CD2-CE1 4.17Å; L663-F769 HydrophobicContact CD2-CE2 4.2Å; L663-F769 HydrophobicContact CD2-CG 3.98Å; L663-F769 HydrophobicContact CD2-CZ 4.27Å; L663-F769 HydrophobicContact CG-CD2 4.39Å; L663-F769 HydrophobicContact CG-CE2 4.13Å; L663-F769 HydrophobicContact CG-CZ 4.24Å; L663-W794 HydrophobicContact CB-CH2 4.45Å; L663-W794 HydrophobicContact CD1-CH2 4.31Å; L663-W794 HydrophobicContact CD1-CZ2 4.08Å; L663-W794 HydrophobicContact CD2-CD2 4.26Å; L663-W794 HydrophobicContact CD2-CE3 3.91Å; L663-W794 HydrophobicContact CD2-CH2 3.07Å; L663-W794 HydrophobicContact CD2-CZ2 3.4Å; L663-W794 HydrophobicContact CD2-CZ3 3.31Å; L663-W794 HydrophobicContact CG-CH2 3.38Å; L663-W794 HydrophobicContact CG-CZ2 3.65Å; L663-W794 HydrophobicContact CG-CZ3 4.1Å
664	I	91.9	Very high	90.7	Very high	18 Å²	18	31.8 Å²	31.8	9%	0.092	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.2	173.3	-53	-59.6	0	0	0	108.7	P662 F717 Y726 H727 L785 W794 Y795	P662-I664 VanDerWaalsContact C-N 3.27Å; P662-I664 WeakPolarHBondContact CB-O 3.45Å; P662-I664 WeakPolarHBondContact CG-O 3.49Å; P662-I664 PolarHBondContact O-N 3.01Å; I664-F717 HydrophobicContact CB-CZ 4.29Å; I664-F717 HydrophobicContact CG2-CE1 4.34Å; I664-F717 HydrophobicContact CG2-CE2 4.33Å; I664-F717 HydrophobicContact CG2-CZ 3.95Å; I664-Y726 CarbonylContact C-O 3.49Å; I664-Y726 VanDerWaalsContact CA-O 3.24Å; I664-Y726 WeakPolarHBondContact CA-O 3.44Å; I664-H727 HydrophobicContact CD1-CB 3.67Å; I664-L785 HydrophobicContact CD1-CD1 4.16Å; I664-L785 HydrophobicContact CG2-CD1 4.19Å; I664-W794 HydrophobicContact CD1-CH2 4.23Å; I664-Y795 HydrophobicContact CG1-CD2 4.48Å; I664-Y795 HydrophobicContact CG1-CE2 4.1Å
665	L	93.9	Very high	90.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.6	179.4	178.6	64.5	0	0	0	109.5	V471 L474 L638 L640 P662 M667 Y726 Y782	V471-L665 HydrophobicContact CG2-CD1 3.96Å; L474-L665 HydrophobicContact CD1-CD1 4.22Å; L474-L665 HydrophobicContact CD1-CD2 4.21Å; L638-L665 HydrophobicContact CD2-CD2 4.03Å; L640-L665 HydrophobicContact CD1-CD2 4.04Å; P662-L665 HydrophobicContact CG-CB 4.32Å; P662-L665 HydrophobicContact CG-CD1 4.12Å; L665-M667 HydrophobicContact CD2-CG 4.37Å; L665-M667 HydrophobicContact CD2-SD 3.69Å; L665-M667 HydrophobicContact CG-CG 4.33Å; L665-M667 HydrophobicContact CG-SD 3.96Å; L665-Y726 PolarHBondContact N-O 2.81Å; L665-Y726 PolarHBondContact O-N 2.73Å; L665-Y782 HydrophobicContact CB-CD1 3.87Å; L665-Y782 HydrophobicContact CB-CE1 3.65Å; L665-Y782 HydrophobicContact CD2-CD1 4.38Å; L665-Y782 HydrophobicContact CD2-CD2 4.25Å; L665-Y782 HydrophobicContact CD2-CE1 4.43Å; L665-Y782 HydrophobicContact CD2-CE2 4.27Å; L665-Y782 HydrophobicContact CD2-CG 4.3Å
666	N	93.3	Very high	89.4	Confident	42 Å²	42	37.2 Å²	37.2	23%	0.225	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.4	171.9	-174.7	3.8	0	0	0	110.2	S668 F717 S720 L725	N666-S668 PolarHBondContact ND2-OG 3.49Å; N666-S668 WeakPolarHBondContact OD1-CB 3.49Å; N666-S668 PolarHBondContact OD1-N 3.35Å; N666-S668 PolarHBondContact OD1-OG 3.49Å; N666-S668 VanDerWaalsContact OD1-OG 3.04Å; N666-F717 HydrophobicContact CB-CE1 4.24Å; N666-S720 PolarHBondContact ND2-OG 2.89Å; N666-S720 VanDerWaalsContact ND2-OG 3.08Å; N666-L725 HydrophobicContact CB-CD2 3.73Å
667	M	94.1	Very high	88.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.			trans	-96.2	-0.2	-178.7	-69.4	-61.9	-64.5	0	0	113.9	L474 L631 L634 L638 L665 E669 F670 Y724 Y726	L474-M667 HydrophobicContact CD1-SD 4Å; L474-M667 HydrophobicContact CD2-CE 4.44Å; L631-M667 HydrophobicContact CD1-CE 3.65Å; L634-M667 HydrophobicContact CD1-CB 3.48Å; L634-M667 VanDerWaalsContact CD1-CB 3.48Å; L634-M667 HydrophobicContact CD1-CG 4.22Å; L634-M667 HydrophobicContact CD2-CB 4.4Å; L634-M667 HydrophobicContact CD2-CE 4.1Å; L638-M667 HydrophobicContact CD2-CE 3.99Å; L638-M667 HydrophobicContact CD2-CG 4.08Å; L638-M667 HydrophobicContact CD2-SD 3.74Å; L665-M667 HydrophobicContact CD2-CG 4.37Å; L665-M667 HydrophobicContact CD2-SD 3.69Å; L665-M667 HydrophobicContact CG-CG 4.33Å; L665-M667 HydrophobicContact CG-SD 3.96Å; M667-E669 PolarHBondContact O-N 3.39Å; M667-F670 HydrophobicContact CE-CB 4.18Å; M667-F670 HydrophobicContact CE-CD2 3.78Å; M667-F670 HydrophobicContact CE-CG 4.34Å; M667-F670 PolarHBondContact O-N 3.35Å; M667-F670 HydrophobicContact SD-CD2 3.8Å; M667-F670 HydrophobicContact SD-CE2 4.26Å; M667-Y724 PolarHBondContact N-O 2.8Å; M667-Y726 HydrophobicContact CB-CD2 4.4Å; M667-Y726 HydrophobicContact CB-CE2 4.38Å; M667-Y726 HydrophobicContact CG-CD2 3.84Å; M667-Y726 HydrophobicContact CG-CE2 4.09Å
668	S	90.4	Very high	88.1	Confident	39 Å²	39	42.3 Å²	42.3	27%	0.273	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-57.8	-35.5	-173.4	62.9	0	0	0	0	113.2	N666 F670 V671	N666-S668 PolarHBondContact ND2-OG 3.49Å; N666-S668 WeakPolarHBondContact OD1-CB 3.49Å; N666-S668 PolarHBondContact OD1-N 3.35Å; N666-S668 PolarHBondContact OD1-OG 3.49Å; N666-S668 VanDerWaalsContact OD1-OG 3.04Å; S668-F670 PolarHBondContact O-N 2.87Å; S668-V671 PolarHBondContact O-N 3.39Å
669	E	90.6	Very high	87	Confident	103 Å²	103	44.3 Å²	44.3	48%	0.481	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-62.9	-24.3	179.1	-168.9	-175.5	147.3	0	0	113	R475 M667	R475-E669 WeakPolarHBondContact CG-OE1 3.31Å; R475-E669 IonicContact CZ-OE1 3.97Å; R475-E669 IonicContact CZ-OE2 3.72Å; R475-E669 IonicContact NE-OE1 3.34Å; R475-E669 PolarHBondContact NE-OE1 3.25Å; R475-E669 IonicContact NE-OE2 2.81Å; R475-E669 PolarHBondContact NE-OE2 2.73Å; R475-E669 IonicContact NH2-OE1 3.45Å; R475-E669 IonicContact NH2-OE2 3.69Å; R475-E669 PolarHBondContact NH2-OE2 3.3Å; M667-E669 PolarHBondContact O-N 3.39Å
670	F	91.9	Very high	85.6	Confident	2 Å²	2	46 Å²	46	1%	0.009	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-102.9	-5.1	-171.4	-49.1	-64.1	0	0	0	113.6	V471 L474 R475 V478 L631 M667 S668	V471-F670 HydrophobicContact CG1-CZ 4.03Å; L474-F670 HydrophobicContact CB-CD1 4.19Å; L474-F670 HydrophobicContact CB-CD2 4.35Å; L474-F670 HydrophobicContact CB-CE1 3.69Å; L474-F670 HydrophobicContact CB-CE2 3.87Å; L474-F670 HydrophobicContact CB-CZ 3.52Å; L474-F670 HydrophobicContact CD1-CD2 4.36Å; L474-F670 HydrophobicContact CD1-CE2 3.87Å; L474-F670 HydrophobicContact CD1-CZ 4.28Å; L474-F670 HydrophobicContact CG-CE2 4.47Å; R475-F670 HydrophobicContact CB-CE1 4.48Å; R475-F670 HydrophobicContact CG-CE1 3.76Å; R475-F670 HydrophobicContact CG-CZ 4.25Å; V478-F670 HydrophobicContact CG1-CB 4.36Å; V478-F670 HydrophobicContact CG1-CD1 4.26Å; V478-F670 HydrophobicContact CG2-CD1 3.96Å; L631-F670 WeakPolarHBondContact CB-O 3.43Å; L631-F670 HydrophobicContact CD1-CB 3.95Å; L631-F670 WeakPolarHBondContact CG-O 3.46Å; L631-F670 PolarHBondContact N-O 3.45Å; M667-F670 HydrophobicContact CE-CB 4.18Å; M667-F670 HydrophobicContact CE-CD2 3.78Å; M667-F670 HydrophobicContact CE-CG 4.34Å; M667-F670 PolarHBondContact O-N 3.35Å; M667-F670 HydrophobicContact SD-CD2 3.8Å; M667-F670 HydrophobicContact SD-CE2 4.26Å; S668-F670 PolarHBondContact O-N 2.87Å
671	V	90.5	Very high	84.2	Confident	11 Å²	11	51.2 Å²	51.2	7%	0.067	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-88.5	143.5	179	179.6	0	0	0	0	109.7	L631 L634 S668 N673 Y724	L631-V671 CarbonylContact O-C 3.48Å; L631-V671 VanDerWaalsContact O-CA 3.27Å; L631-V671 WeakPolarHBondContact O-CA 3.4Å; L634-V671 HydrophobicContact CD1-CG2 3.72Å; L634-V671 HydrophobicContact CD2-CG2 3.97Å; L634-V671 HydrophobicContact CG-CG2 3.79Å; S668-V671 PolarHBondContact O-N 3.39Å; V671-N673 PolarHBondContact O-N 3.39Å; V671-Y724 HydrophobicContact CB-CE1 4.27Å; V671-Y724 HydrophobicContact CG1-CE1 4.11Å; V671-Y724 HydrophobicContact CG2-CD1 4.05Å; V671-Y724 HydrophobicContact CG2-CE1 3.91Å
672	L	84.3	Confident	82.4	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.026	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-55.2	127.8	173.3	-76	171	0	0	0	111.2	V431 R630 L631 D676 R677	V431-L672 HydrophobicContact CB-CD1 4.14Å; V431-L672 HydrophobicContact CG2-CD1 3.78Å; R630-L672 HydrophobicContact CB-CD1 4.34Å; R630-L672 HydrophobicContact CB-CD2 3.24Å; R630-L672 HydrophobicContact CB-CG 3.59Å; R630-L672 HydrophobicContact CG-CD2 3.58Å; R630-L672 HydrophobicContact CG-CG 4.45Å; L631-L672 PolarHBondContact O-N 3.33Å; L672-D676 HydrophobicContact CD2-CB 3.43Å; L672-D676 VanDerWaalsContact CD2-CB 3.43Å; L672-R677 HydrophobicContact CB-CG 4.24Å; L672-R677 PolarHBondContact O-NH1 3.21Å; L672-R677 PolarHBondContact O-NH2 3.49Å
673	N	80.7	Confident	80	Confident	102 Å²	102	57.9 Å²	57.9	55%	0.545	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-80.1	165.6	169.5	-68.3	-11.4	0	0	0	110	V671 V675 D676 R677	V671-N673 PolarHBondContact O-N 3.39Å; N673-V675 PolarHBondContact O-N 3.36Å; N673-D676 PolarHBondContact N-OD2 3.49Å; N673-D676 PolarHBondContact O-N 2.99Å; N673-D676 VanDerWaalsContact O-N 3.14Å; N673-R677 PolarHBondContact O-N 2.87Å
674	D	78.3	Confident	77.7	Confident	122 Å²	122	61.3 Å²	61.3	65%	0.652	32%	0.323	S	S	*	.	H	α-helix	trans	-65.9	-27.4	-176	-60.9	-35.6	0	0	0	112.8	R677 A678	D674-R677 PolarHBondContact O-N 2.95Å; D674-R677 IonicContact OD1-CZ 3.7Å; D674-R677 IonicContact OD1-NH1 2.99Å; D674-R677 PolarHBondContact OD1-NH1 3.4Å; D674-A678 PolarHBondContact O-N 3.38Å
675	V	75.3	Confident	74.9	Confident	104 Å²	104	68.1 Å²	68.1	63%	0.63	36%	0.359	S	S	*	.	H	α-helix	trans	-63.1	-50	171.2	-177.5	0	0	0	0	110.9	N673 R677 A678 E679	N673-V675 PolarHBondContact O-N 3.36Å; V675-R677 VanDerWaalsContact C-N 3.27Å; V675-R677 PolarHBondContact O-N 2.82Å; V675-A678 WeakPolarHBondContact O-CB 3.37Å; V675-A678 PolarHBondContact O-N 2.83Å; V675-E679 PolarHBondContact O-N 3.25Å
676	D	74.2	Confident	71.9	Confident	31 Å²	31	73.8 Å²	73.8	17%	0.166	38%	0.384	C	S	.	.	H	α-helix	trans	-65.2	-33.9	178.8	-55	-50.3	0	0	0	111.4	L672 N673 A678 E679 C680	L672-D676 HydrophobicContact CD2-CB 3.43Å; L672-D676 VanDerWaalsContact CD2-CB 3.43Å; N673-D676 PolarHBondContact N-OD2 3.49Å; N673-D676 PolarHBondContact O-N 2.99Å; N673-D676 VanDerWaalsContact O-N 3.14Å; D676-A678 VanDerWaalsContact C-N 3.31Å; D676-E679 PolarHBondContact O-N 2.84Å; D676-C680 PolarHBondContact O-N 3.09Å; D676-C680 PolarHBondContact O-SG 3.2Å
677	R	77.3	Confident	68.6	Low	81 Å²	81	80 Å²	80	31%	0.306	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-40.3	172.7	-73.2	-172	177.3	90.8	16.5	111.2	L672 N673 D674 V675 C680 H681	L672-R677 HydrophobicContact CB-CG 4.24Å; L672-R677 PolarHBondContact O-NH1 3.21Å; L672-R677 PolarHBondContact O-NH2 3.49Å; N673-R677 PolarHBondContact O-N 2.87Å; D674-R677 PolarHBondContact O-N 2.95Å; D674-R677 IonicContact OD1-CZ 3.7Å; D674-R677 IonicContact OD1-NH1 2.99Å; D674-R677 PolarHBondContact OD1-NH1 3.4Å; V675-R677 VanDerWaalsContact C-N 3.27Å; V675-R677 PolarHBondContact O-N 2.82Å; R677-C680 WeakPolarHBondContact O-CB 3.26Å; R677-C680 PolarHBondContact O-N 2.98Å; R677-H681 PolarHBondContact O-CD2 2.71Å; R677-H681 PolarHBondContact O-N 2.96Å
678	A	75.7	Confident	65.5	Low	47 Å²	47	86.2 Å²	86.2	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-66.2	-41.6	176.8	0	0	0	0	0	111.8	D674 V675 D676 C680 H681 Q682	D674-A678 PolarHBondContact O-N 3.38Å; V675-A678 WeakPolarHBondContact O-CB 3.37Å; V675-A678 PolarHBondContact O-N 2.83Å; D676-A678 VanDerWaalsContact C-N 3.31Å; A678-C680 VanDerWaalsContact C-N 3.3Å; A678-C680 PolarHBondContact O-N 2.88Å; A678-H681 PolarHBondContact O-N 3.27Å; A678-Q682 PolarHBondContact O-N 2.92Å
679	E	70.8	Confident	62.3	Low	97 Å²	97	94.4 Å²	94.4	45%	0.453	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-38	174.5	-70.3	-172.7	176.1	0	0	112.3	V675 D676 H681 Q682	V675-E679 PolarHBondContact O-N 3.25Å; D676-E679 PolarHBondContact O-N 2.84Å; E679-H681 PolarHBondContact O-N 2.98Å; E679-Q682 PolarHBondContact O-N 2.85Å
680	C	66.9	Low	59.3	Low	34 Å²	34	94.5 Å²	94.5	23%	0.23	49%	0.493	C	S	.	.	H	α-helix	trans	-59.4	-28.8	174.4	-71.3	0	0	0	0	113.4	H433 D676 R677 A678	H433-C680 VanDerWaalsContact CE1-SG 3.51Å; H433-C680 PolarHBondContact NE2-SG 2.92Å; D676-C680 PolarHBondContact O-N 3.09Å; D676-C680 PolarHBondContact O-SG 3.2Å; R677-C680 WeakPolarHBondContact O-CB 3.26Å; R677-C680 PolarHBondContact O-N 2.98Å; A678-C680 VanDerWaalsContact C-N 3.3Å; A678-C680 PolarHBondContact O-N 2.88Å
681	H	67.5	Low	56.3	Low	157 Å²	157	101.3 Å²	101.3	73%	0.727	53%	0.53	S	S	*	.	H	α-helix	trans	-95.1	-11.9	-175.2	-69.8	-55.5	0	0	0	113.8	R677 A678 E679 P683	R677-H681 PolarHBondContact O-CD2 2.71Å; R677-H681 PolarHBondContact O-N 2.96Å; A678-H681 PolarHBondContact O-N 3.27Å; E679-H681 PolarHBondContact O-N 2.98Å; H681-P683 WeakPolarHBondContact O-CD 3.35Å
682	Q	58.1	Low	53.4	Low	118 Å²	118	109.3 Å²	109.3	55%	0.551	57%	0.566	S	S	*	*			trans	-101.3	114.8	-179.3	-69.5	-171.2	1.4	0	0	112.6	A678 E679 H684	A678-Q682 PolarHBondContact O-N 2.92Å; E679-Q682 PolarHBondContact O-N 2.85Å; Q682-H684 PolarHBondContact O-N 2.95Å; Q682-H684 VanDerWaalsContact O-N 3.1Å
683	P	43.5	Very low	50.8	Low	78 Å²	78	116.9 Å²	116.9	51%	0.506	61%	0.605	S	S	.	*			trans	-74.8	94.6	163.3	29	-29.1	0	0	0	108.9	H681 L685	H681-P683 WeakPolarHBondContact O-CD 3.35Å; P683-L685 PolarHBondContact O-N 2.77Å
684	H	42.9	Very low	48.3	Very low	96 Å²	96	119.1 Å²	119.1	44%	0.444	62%	0.617	S	S	.	*			trans	-60.2	102.2	-179.6	-63.3	-72.8	0	0	0	112.7	Q682	Q682-H684 PolarHBondContact O-N 2.95Å; Q682-H684 VanDerWaalsContact O-N 3.1Å
685	L	31.7	Very low	45.9	Very low	161 Å²	161	121.9 Å²	121.9	84%	0.843	63%	0.626	S	S	*	*			trans	-75.2	140.3	149.5	-96.9	104.7	0	0	0	108.2	P683 Q687	P683-L685 PolarHBondContact O-N 2.77Å; L685-Q687 PolarHBondContact O-N 2.94Å
686	H	31	Very low	43.8	Very low	119 Å²	119	122.7 Å²	122.7	55%	0.551	63%	0.633	S	S	*	*			trans	-58.5	133.3	-173.7	-93.6	-87.8	0	0	0	114	T688	H686-T688 PolarHBondContact O-N 2.8Å
687	Q	25.9	Very low	41.6	Very low	173 Å²	173	130.3 Å²	130.3	81%	0.808	67%	0.668	S	S	*	*			trans	19.7	95.1	136	-65.8	173.8	-3.4	0	0	117.3	L685	L685-Q687 PolarHBondContact O-N 2.94Å
688	T	27.6	Very low	39.2	Very low	130 Å²	130	130.7 Å²	130.7	80%	0.798	69%	0.688	S	S	*	*			trans	-110.6	121.4	140.6	37.1	0	0	0	0	108.1	H686 S690	H686-T688 PolarHBondContact O-N 2.8Å; T688-S690 PolarHBondContact O-N 3.16Å
689	K	23.5	Very low	37.2	Very low	211 Å²	211	133.6 Å²	133.6	92%	0.917	71%	0.706	S	S	*	*			trans	-61.5	123.7	172.6	-70.4	172.9	173.6	177.8	0	109.1
690	S	28.5	Very low	35.2	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	72%	0.716	S	S	*	*			trans	-167.7	107.1	144.3	55.6	0	0	0	0	109.2	T688	T688-S690 PolarHBondContact O-N 3.16Å
691	D	27.5	Very low	33.6	Very low	145 Å²	145	141 Å²	141	78%	0.775	74%	0.744	S	S	*	*			trans	4.3	119.5	145	-53.7	-44	0	0	0	116.6
692	H	30.7	Very low	31.8	Very low	180 Å²	180	140.2 Å²	140.2	83%	0.833	75%	0.746	S	S	*	*				-169.7	113.9	120.3	-93.1	-65.5	0	0	0	108	D694	H692-D694 PolarHBondContact O-N 2.91Å
693	I	28.3	Very low	30.6	Very low	163 Å²	163	142.5 Å²	142.5	84%	0.836	76%	0.761	S	S	*	*			trans	-81.6	101.7	174.6	-61.6	167.1	0	0	0	106
694	D	29.5	Very low	29.9	Very low	149 Å²	149	144 Å²	144	80%	0.797	77%	0.773	S	S	*	*			trans	-107.6	114	160.4	-75.4	-39.7	0	0	0	107.8	H692	H692-D694 PolarHBondContact O-N 2.91Å
695	E	27.7	Very low	29.5	Very low	180 Å²	180	144.6 Å²	144.6	84%	0.841	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-59.9	137.3	173.2	-101.4	-165.5	146.6	0	0	110.5	E697	E695-E697 PolarHBondContact O-N 2.97Å
696	P	31.6	Very low	29.6	Very low	121 Å²	121	145.6 Å²	145.6	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.3	120.5	178.8	28.3	-30.2	0	0	0	111.1	A698	P696-A698 PolarHBondContact O-N 3.24Å
697	E	27	Very low	29.8	Very low	192 Å²	192	148.8 Å²	148.8	90%	0.897	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-56.6	118.7	167.2	-71.2	-175.5	152.7	0	0	110.2	E695 S699	E695-E697 PolarHBondContact O-N 2.97Å; E697-S699 PolarHBondContact O-N 2.67Å; E697-S699 VanDerWaalsContact O-N 3.14Å
698	A	28.2	Very low	30.1	Very low	88 Å²	88	145.2 Å²	145.2	73%	0.727	80%	0.796	S	S	*	*			trans	-63.4	111.2	175.3	0	0	0	0	0	110.4	P696 I700	P696-A698 PolarHBondContact O-N 3.24Å; A698-I700 PolarHBondContact O-N 3.31Å; A698-I700 VanDerWaalsContact O-N 3.08Å
699	S	31.7	Very low	30.8	Very low	109 Å²	109	144.9 Å²	144.9	76%	0.762	80%	0.799	S	S	*	*			trans	-70	100.9	166.2	45.9	0	0	0	0	109.6	E697 D701	E697-S699 PolarHBondContact O-N 2.67Å; E697-S699 VanDerWaalsContact O-N 3.14Å; S699-D701 PolarHBondContact O-N 2.94Å; S699-D701 VanDerWaalsContact O-N 3.09Å
700	I	30	Very low	31.6	Very low	129 Å²	129	140.5 Å²	140.5	66%	0.662	79%	0.785	S	S	*	*			trans	-75.9	87.1	171.9	-60.7	173.2	0	0	0	108.2	A698 N702	A698-I700 PolarHBondContact O-N 3.31Å; A698-I700 VanDerWaalsContact O-N 3.08Å; I700-N702 HydrophobicContact CG2-CB 3.9Å; I700-N702 VanDerWaalsContact CG2-ND2 3.26Å; I700-N702 WeakPolarHBondContact CG2-ND2 3.33Å; I700-N702 PolarHBondContact O-N 2.94Å; I700-N702 VanDerWaalsContact O-N 3.16Å
701	D	32.3	Very low	32.5	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	77%	0.77	S	S	*	*			trans	-84	72.2	162.4	-87	-20.1	0	0	0	109.6	S699 L703	S699-D701 PolarHBondContact O-N 2.94Å; S699-D701 VanDerWaalsContact O-N 3.09Å; D701-L703 PolarHBondContact O-N 3.27Å
702	N	30.2	Very low	33.5	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	77%	0.766	S	S	*	*			trans	-86.1	75.5	166.8	-84.3	-26	0	0	0	109.7	I700 S704	I700-N702 HydrophobicContact CG2-CB 3.9Å; I700-N702 VanDerWaalsContact CG2-ND2 3.26Å; I700-N702 WeakPolarHBondContact CG2-ND2 3.33Å; I700-N702 PolarHBondContact O-N 2.94Å; I700-N702 VanDerWaalsContact O-N 3.16Å; N702-S704 VanDerWaalsContact C-N 3.31Å; N702-S704 PolarHBondContact O-N 3.16Å; N702-S704 VanDerWaalsContact O-N 3.11Å
703	L	33.4	Very low	34.5	Very low	167 Å²	167	131.8 Å²	131.8	87%	0.874	74%	0.735	S	S	*	*			trans	-80.5	87.3	160.9	-166.8	65	0	0	0	108.8	D701 C705	D701-L703 PolarHBondContact O-N 3.27Å; L703-C705 PolarHBondContact O-N 3.28Å
704	S	29.9	Very low	35.8	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	70%	0.704	S	S	*	*			trans	-60.9	102.9	169.3	66.8	0	0	0	0	109.8	N702	N702-S704 VanDerWaalsContact C-N 3.31Å; N702-S704 PolarHBondContact O-N 3.16Å; N702-S704 VanDerWaalsContact O-N 3.11Å
705	C	33.2	Very low	37.2	Very low	109 Å²	109	127.2 Å²	127.2	74%	0.736	71%	0.705	S	S	*	*			trans	-100.8	115.7	163.8	178.4	0	0	0	0	106.5	L703 Q707	L703-C705 PolarHBondContact O-N 3.28Å; C705-Q707 PolarHBondContact O-N 2.86Å
706	H	33.6	Very low	38.8	Very low	183 Å²	183	126.7 Å²	126.7	85%	0.847	70%	0.703	S	S	*	*			trans	-40.9	103.7	176.9	-75	-79.3	0	0	0	111.6	S708	H706-S708 PolarHBondContact O-N 3.06Å
707	Q	34.7	Very low	40.3	Very low	185 Å²	185	122.3 Å²	122.3	86%	0.864	67%	0.672	S	S	*	*			trans	-65.5	103	169.5	-79.9	176.8	-21.2	0	0	107.7	C705 S709	C705-Q707 PolarHBondContact O-N 2.86Å; Q707-S709 PolarHBondContact O-N 2.85Å
708	S	33.7	Very low	41.8	Very low	98 Å²	98	119.6 Å²	119.6	69%	0.685	66%	0.659	S	S	*	*			trans	-60.8	130.3	159.5	41.1	0	0	0	0	107.9	H706 I710	H706-S708 PolarHBondContact O-N 3.06Å; S708-I710 VanDerWaalsContact C-N 3.25Å; S708-I710 PolarHBondContact O-N 3.21Å
709	S	40.8	Very low	43.3	Very low	123 Å²	123	125.5 Å²	125.5	86%	0.86	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	43.3	-160.7	47.4	0	0	0	0	116.7	Q707	Q707-S709 PolarHBondContact O-N 2.85Å
710	I	41.8	Very low	45	Very low	120 Å²	120	121.4 Å²	121.4	62%	0.615	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	-0.7	-177.6	-58.1	-177.5	0	0	0	114.2	S708	S708-I710 VanDerWaalsContact C-N 3.25Å; S708-I710 PolarHBondContact O-N 3.21Å
711	F	45.8	Very low	47.3	Very low	98 Å²	98	118 Å²	118	43%	0.43	63%	0.627	S	S	.	*			trans	-127.8	74.7	-175.7	-69.5	-91.3	0	0	0	113.7	F791	F711-F791 HydrophobicContact CD1-CD2 4.01Å; F711-F791 HydrophobicContact CD1-CE2 4.17Å
712	T	50.1	Low	49.5	Very low	113 Å²	113	112.8 Å²	112.8	69%	0.693	60%	0.599	S	S	*	*			trans	-85.6	109.8	168.7	-43.6	0	0	0	0	109.2
713	L	52.1	Low	52	Low	35 Å²	35	111.2 Å²	111.2	18%	0.183	59%	0.585	C	S	.	*			trans	-61	142	162.6	-86.5	141.2	0	0	0	108.8	F717 L722 L725 F791	L713-F717 HydrophobicContact CD2-CB 3.67Å; L713-L722 HydrophobicContact CD1-CD1 4.39Å; L713-L722 HydrophobicContact CD1-CD2 4.07Å; L713-L722 HydrophobicContact CD1-CG 4.06Å; L713-L722 HydrophobicContact CD2-CD2 3.98Å; L713-L722 HydrophobicContact CG-CD2 4.33Å; L713-L725 HydrophobicContact CD2-CD1 3.67Å; L713-F791 HydrophobicContact CD2-CE1 4.48Å; L713-F791 HydrophobicContact CD2-CZ 3.81Å; L713-F791 HydrophobicContact CG-CE2 4.48Å; L713-F791 HydrophobicContact CG-CZ 3.93Å
714	P	54.8	Low	54.7	Low	28 Å²	28	105.7 Å²	105.7	18%	0.182	55%	0.553	C	S	.	*			trans	-55.1	151.6	169.3	-27.4	37.1	0	0	0	111.7	E716 F717 E718 Y795 I799	P714-E716 PolarHBondContact O-N 2.79Å; P714-F717 HydrophobicContact CB-CD2 4.32Å; P714-F717 HydrophobicContact CG-CD2 4.33Å; P714-F717 CarbonylContact O-C 3.52Å; P714-F717 PolarHBondContact O-N 2.98Å; P714-E718 PolarHBondContact O-N 2.63Å; P714-E718 VanDerWaalsContact O-N 3.1Å; P714-Y795 VanDerWaalsContact CD-CZ 3.49Å; P714-Y795 WeakPolarHBondContact CD-OH 3.25Å; P714-Y795 HydrophobicContact CG-CE1 3.86Å; P714-Y795 HydrophobicContact CG-CE2 4.17Å; P714-Y795 WeakPolarHBondContact CG-OH 3.45Å; P714-I799 HydrophobicContact CG-CD1 3.63Å; P714-I799 HydrophobicContact CG-CG1 4.06Å
715	K	59	Low	57.7	Low	188 Å²	188	100.5 Å²	100.5	82%	0.817	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-33.2	177.1	-68.2	-177.7	176.3	-179.2	0	113.3	F717	K715-F717 VanDerWaalsContact C-N 3.31Å; K715-F717 PolarHBondContact O-N 3.14Å
716	E	60.3	Low	60.6	Low	169 Å²	169	95.4 Å²	95.4	79%	0.79	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-31.3	177.7	-64.8	175.2	-168.7	0	0	113.5	P714	P714-E716 PolarHBondContact O-N 2.79Å
717	F	64.8	Low	63.4	Low	30 Å²	30	88.1 Å²	88.1	13%	0.132	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	3.2	-177.5	-59.4	-69	0	0	0	113.3	I664 N666 L713 P714 K715 K719 S720 L725	I664-F717 HydrophobicContact CB-CZ 4.29Å; I664-F717 HydrophobicContact CG2-CE1 4.34Å; I664-F717 HydrophobicContact CG2-CE2 4.33Å; I664-F717 HydrophobicContact CG2-CZ 3.95Å; N666-F717 HydrophobicContact CB-CE1 4.24Å; L713-F717 HydrophobicContact CD2-CB 3.67Å; P714-F717 HydrophobicContact CB-CD2 4.32Å; P714-F717 HydrophobicContact CG-CD2 4.33Å; P714-F717 CarbonylContact O-C 3.52Å; P714-F717 PolarHBondContact O-N 2.98Å; K715-F717 VanDerWaalsContact C-N 3.31Å; K715-F717 PolarHBondContact O-N 3.14Å; F717-K719 PolarHBondContact O-N 2.9Å; F717-K719 VanDerWaalsContact O-N 3.13Å; F717-S720 WeakPolarHBondContact O-CB 3.37Å; F717-S720 PolarHBondContact O-N 3.08Å; F717-L725 HydrophobicContact CB-CD1 4.1Å; F717-L725 HydrophobicContact CD1-CD1 4.26Å; F717-L725 HydrophobicContact CD1-CD2 3.53Å; F717-L725 HydrophobicContact CE1-CD2 3.88Å; F717-L725 HydrophobicContact CG-CD1 4.26Å; F717-L725 HydrophobicContact CG-CD2 4.33Å
718	E	57.2	Low	66.3	Low	134 Å²	134	79.3 Å²	79.3	63%	0.626	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.4	-175.9	-157.5	167.2	-160.7	0	0	112.4	P714	P714-E718 PolarHBondContact O-N 2.63Å; P714-E718 VanDerWaalsContact O-N 3.1Å
719	K	60.2	Low	69.2	Low	213 Å²	213	75.1 Å²	75.1	93%	0.926	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-9.9	173.9	-61.4	-176.8	-179.2	-178.8	0	114.3	F717	F717-K719 PolarHBondContact O-N 2.9Å; F717-K719 VanDerWaalsContact O-N 3.13Å
720	S	68	Low	71.9	Confident	23 Å²	23	69.3 Å²	69.3	16%	0.161	34%	0.337	C	S	.	.	S	Bend	trans	-93.7	130.7	-172.4	-60.6	0	0	0	0	111.2	N666 F717 L722	N666-S720 PolarHBondContact ND2-OG 2.89Å; N666-S720 VanDerWaalsContact ND2-OG 3.08Å; F717-S720 WeakPolarHBondContact O-CB 3.37Å; F717-S720 PolarHBondContact O-N 3.08Å; S720-L722 PolarHBondContact O-N 3.33Å
721	S	78.1	Confident	74.6	Confident	56 Å²	56	63.6 Å²	63.6	39%	0.392	31%	0.308	S	S	.	.			trans	-66.9	128.4	172.3	-170.5	0	0	0	0	110.2	K723 Y724	S721-K723 PolarHBondContact O-N 3.01Å; S721-K723 WeakPolarHBondContact OG-CG 3.36Å; S721-Y724 PolarHBondContact O-N 3.27Å
722	L	78.1	Confident	77.2	Confident	47 Å²	47	59 Å²	59	25%	0.246	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-49.9	-31.3	178.7	-78.1	161.9	0	0	0	113.3	L713 S720 Y724 L725 P787 F791	L713-L722 HydrophobicContact CD1-CD1 4.39Å; L713-L722 HydrophobicContact CD1-CD2 4.07Å; L713-L722 HydrophobicContact CD1-CG 4.06Å; L713-L722 HydrophobicContact CD2-CD2 3.98Å; L713-L722 HydrophobicContact CG-CD2 4.33Å; S720-L722 PolarHBondContact O-N 3.33Å; L722-Y724 PolarHBondContact O-N 2.83Å; L722-Y724 VanDerWaalsContact O-N 3.08Å; L722-L725 HydrophobicContact CD2-CD1 4.27Å; L722-L725 PolarHBondContact O-N 2.91Å; L722-P787 HydrophobicContact CB-CG 4.41Å; L722-P787 HydrophobicContact CD1-CB 4.21Å; L722-F791 HydrophobicContact CD2-CZ 4.13Å
723	K	82.3	Confident	79.4	Confident	108 Å²	108	53.8 Å²	53.8	47%	0.47	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-62	-14.2	178.1	78.2	-168.5	-174	178.8	0	114.6	S721	S721-K723 PolarHBondContact O-N 3.01Å; S721-K723 WeakPolarHBondContact OG-CG 3.36Å
724	Y	90.5	Very high	81.4	Confident	51 Å²	51	52.1 Å²	52.1	20%	0.2	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-107.6	-2.2	178	-57.5	-52.4	0	0	0	113.1	L634 M667 V671 S721 L722	L634-Y724 HydrophobicContact CD1-CD1 3.99Å; M667-Y724 PolarHBondContact N-O 2.8Å; V671-Y724 HydrophobicContact CB-CE1 4.27Å; V671-Y724 HydrophobicContact CG1-CE1 4.11Å; V671-Y724 HydrophobicContact CG2-CD1 4.05Å; V671-Y724 HydrophobicContact CG2-CE1 3.91Å; S721-Y724 PolarHBondContact O-N 3.27Å; L722-Y724 PolarHBondContact O-N 2.83Å; L722-Y724 VanDerWaalsContact O-N 3.08Å
725	L	92.3	Very high	83	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.2	-180	-60	178.8	0	0	0	109.8	N666 L713 F717 L722 L785	N666-L725 HydrophobicContact CB-CD2 3.73Å; L713-L725 HydrophobicContact CD2-CD1 3.67Å; F717-L725 HydrophobicContact CB-CD1 4.1Å; F717-L725 HydrophobicContact CD1-CD1 4.26Å; F717-L725 HydrophobicContact CD1-CD2 3.53Å; F717-L725 HydrophobicContact CE1-CD2 3.88Å; F717-L725 HydrophobicContact CG-CD1 4.26Å; F717-L725 HydrophobicContact CG-CD2 4.33Å; L722-L725 HydrophobicContact CD2-CD1 4.27Å; L722-L725 PolarHBondContact O-N 2.91Å; L725-L785 HydrophobicContact CB-CB 4.36Å; L725-L785 HydrophobicContact CB-CD1 3.74Å; L725-L785 HydrophobicContact CB-CG 4.47Å; L725-L785 WeakPolarHBondContact O-CB 3.37Å; L725-L785 PolarHBondContact O-N 3.27Å
726	Y	94.2	Very high	84.1	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.5	-179.7	-75.5	-107.4	0	0	0	109.7	L634 P635 L638 I664 L665 M667 S783 E784	L634-Y726 WeakPolarHBondContact CB-OH 3.36Å; L634-Y726 HydrophobicContact CD1-CE2 3.81Å; P635-Y726 VanDerWaalsContact O-CE1 3.3Å; P635-Y726 WeakPolarHBondContact O-CE1 3.05Å; P635-Y726 PolarHBondContact O-OH 3.47Å; L638-Y726 HydrophobicContact CB-CD1 3.96Å; L638-Y726 HydrophobicContact CB-CE1 3.89Å; I664-Y726 CarbonylContact C-O 3.49Å; I664-Y726 VanDerWaalsContact CA-O 3.24Å; I664-Y726 WeakPolarHBondContact CA-O 3.44Å; L665-Y726 PolarHBondContact N-O 2.81Å; L665-Y726 PolarHBondContact O-N 2.73Å; M667-Y726 HydrophobicContact CB-CD2 4.4Å; M667-Y726 HydrophobicContact CB-CE2 4.38Å; M667-Y726 HydrophobicContact CG-CD2 3.84Å; M667-Y726 HydrophobicContact CG-CE2 4.09Å; Y726-S783 CarbonylContact C-O 3.52Å; Y726-S783 VanDerWaalsContact CA-O 3.28Å; Y726-S783 WeakPolarHBondContact CA-O 3.46Å; Y726-S783 VanDerWaalsContact CD1-C 3.45Å; Y726-E784 HydrophobicContact CD1-CB 4.38Å; Y726-E784 HydrophobicContact CE1-CB 3.92Å
727	H	92.6	Very high	84.7	Confident	29 Å²	29	41.6 Å²	41.6	13%	0.134	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.8	172.4	68.9	-56.8	0	0	0	110.8	L663 I664 T729 Y782 S783 L785	L663-H727 CarbonylContact O-C 3.49Å; L663-H727 WeakPolarHBondContact O-CA 3.43Å; I664-H727 HydrophobicContact CD1-CB 3.67Å; H727-T729 WeakPolarHBondContact NE2-CG2 3.27Å; H727-T729 PolarHBondContact O-N 2.79Å; H727-Y782 VanDerWaalsContact C-CD1 3.46Å; H727-Y782 CarbonylContact O-C 3.53Å; H727-Y782 VanDerWaalsContact O-CA 3.29Å; H727-Y782 WeakPolarHBondContact O-CA 3.14Å; H727-S783 VanDerWaalsContact CE1-CB 3.46Å; H727-S783 WeakPolarHBondContact CE1-CB 3.45Å; H727-S783 PolarHBondContact N-O 2.82Å; H727-S783 PolarHBondContact ND1-O 3.32Å; H727-S783 PolarHBondContact O-N 2.99Å; H727-L785 HydrophobicContact CB-CD2 3.88Å; H727-L785 HydrophobicContact CB-CG 4.27Å
728	L	95.6	Very high	84.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	127.7	177.3	-172.8	73.3	0	0	0	109.3	F661 L663 V731 W756 F769 V772 L780 Y782	F661-L728 HydrophobicContact CD2-CD2 3.91Å; F661-L728 HydrophobicContact CE2-CD2 3.84Å; L663-L728 HydrophobicContact CD1-CB 3.95Å; L663-L728 PolarHBondContact O-N 3.42Å; L728-V731 HydrophobicContact CD1-CG2 3.94Å; L728-V731 HydrophobicContact CD2-CG2 3.78Å; L728-V731 HydrophobicContact CG-CG2 4.2Å; L728-W756 HydrophobicContact CB-CH2 4.35Å; L728-W756 HydrophobicContact CB-CZ2 4.44Å; L728-W756 HydrophobicContact CD2-CH2 3.9Å; L728-W756 HydrophobicContact CD2-CZ2 4.18Å; L728-W756 HydrophobicContact CG-CH2 3.86Å; L728-W756 HydrophobicContact CG-CZ2 4.34Å; L728-W756 WeakPolarHBondContact O-CH2 3.26Å; L728-W756 WeakPolarHBondContact O-CZ2 3.37Å; L728-F769 HydrophobicContact CD2-CE2 3.92Å; L728-V772 HydrophobicContact CD2-CG1 4Å; L728-L780 HydrophobicContact CD1-CB 4.23Å; L728-L780 HydrophobicContact CD1-CD2 3.98Å; L728-Y782 HydrophobicContact CB-CD1 4.16Å; L728-Y782 HydrophobicContact CB-CE1 3.68Å; L728-Y782 HydrophobicContact CD1-CD1 4.41Å; L728-Y782 HydrophobicContact CD1-CD2 4.02Å; L728-Y782 HydrophobicContact CD1-CE1 3.96Å; L728-Y782 HydrophobicContact CD1-CE2 3.54Å; L728-Y782 HydrophobicContact CD1-CG 4.43Å; L728-Y782 VanDerWaalsContact CD1-CZ 3.49Å; L728-Y782 HydrophobicContact CG-CE1 4.43Å
729	T	95.4	Very high	85.3	Confident	11 Å²	11	37 Å²	37	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	-18.8	-179.3	51.3	0	0	0	0	112.7	H727 L749 F781 S783	H727-T729 WeakPolarHBondContact NE2-CG2 3.27Å; H727-T729 PolarHBondContact O-N 2.79Å; T729-L749 HydrophobicContact CG2-CD2 4.47Å; T729-L749 PolarHBondContact O-N 2.83Å; T729-F781 PolarHBondContact N-O 2.89Å; T729-F781 PolarHBondContact OG1-O 2.85Å; T729-S783 PolarHBondContact OG1-OG 2.53Å
730	G	97.7	Very high	85.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	149.4	177.8	0	0	0	0	0	114.4	Y747 F781	G730-Y747 CarbonylContact C-O 3.57Å; G730-Y747 WeakPolarHBondContact CA-O 3.39Å; G730-F781 PolarHBondContact N-O 3.38Å; G730-F781 VanDerWaalsContact N-O 3.15Å; G730-F781 PolarHBondContact O-N 3.4Å
731	V	98.7	Very high	86.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	118.7	175	-177.3	0	0	0	0	109	F661 L728 V733 S746 Y747 V772 A777 I779 L780	F661-V731 HydrophobicContact CE2-CG2 3.96Å; F661-V731 HydrophobicContact CZ-CG1 4.42Å; F661-V731 HydrophobicContact CZ-CG2 4.27Å; L728-V731 HydrophobicContact CD1-CG2 3.94Å; L728-V731 HydrophobicContact CD2-CG2 3.78Å; L728-V731 HydrophobicContact CG-CG2 4.2Å; V731-V733 HydrophobicContact CG1-CG2 4.06Å; V731-S746 CarbonylContact O-C 3.53Å; V731-S746 VanDerWaalsContact O-CA 3.26Å; V731-S746 WeakPolarHBondContact O-CA 3.13Å; V731-Y747 HydrophobicContact CB-CD2 4.31Å; V731-Y747 PolarHBondContact N-O 2.87Å; V731-Y747 PolarHBondContact O-N 3.26Å; V731-V772 HydrophobicContact CG2-CG1 3.87Å; V731-A777 HydrophobicContact CG1-CB 3.57Å; V731-I779 CarbonylContact C-O 3.44Å; V731-I779 WeakPolarHBondContact CA-O 3.42Å; V731-L780 HydrophobicContact CG2-CD2 4.41Å
732	V	98.6	Very high	86.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134	167.2	-178.7	0	0	0	0	108.2	I206 I209 Y744 Y778 I779	I206-V732 HydrophobicContact CD1-CG2 4.01Å; I209-V732 HydrophobicContact CD1-CG2 4.33Å; I209-V732 HydrophobicContact CG1-CG2 3.77Å; V732-Y744 HydrophobicContact CG1-CD1 3.95Å; V732-Y778 HydrophobicContact CG1-CD1 4.38Å; V732-Y778 WeakPolarHBondContact O-CA 3.47Å; V732-Y778 WeakPolarHBondContact O-CB 3.32Å; V732-Y778 PolarHBondContact O-N 3.09Å; V732-I779 HydrophobicContact CB-CB 4Å; V732-I779 HydrophobicContact CB-CD1 4.48Å; V732-I779 HydrophobicContact CB-CG1 4.33Å; V732-I779 HydrophobicContact CG2-CB 4.15Å; V732-I779 HydrophobicContact CG2-CD1 4.46Å; V732-I779 PolarHBondContact N-O 3.31Å; V732-I779 PolarHBondContact O-N 2.86Å
733	V	97.1	Very high	87.2	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.024	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.1	176.7	-179.8	0	0	0	0	108.9	V731 Y744 T745 Y747 A775	V731-V733 HydrophobicContact CG1-CG2 4.06Å; V733-Y744 CarbonylContact O-C 3.52Å; V733-Y744 VanDerWaalsContact O-CA 3.25Å; V733-Y744 WeakPolarHBondContact O-CA 3.44Å; V733-T745 PolarHBondContact N-O 2.83Å; V733-T745 PolarHBondContact O-N 2.83Å; V733-Y747 HydrophobicContact CG2-CD2 4.04Å; V733-Y747 HydrophobicContact CG2-CE2 3.81Å; V733-A775 HydrophobicContact CG2-CB 3.85Å
734	H	94.1	Very high	87.9	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.7	166.2	178.5	-94.3	0	0	0	108.7	F645 K654 G736 G738 Y744 Y778	F645-H734 AromaticContact CZ-CE1 3.67Å; F645-H734 AromaticContact CZ-CG 3.99Å; F645-H734 AromaticContact CZ-ND1 3.63Å; K654-H734 WeakPolarHBondContact CE-ND1 3.49Å; K654-H734 PolarHBondContact NZ-ND1 2.78Å; K654-H734 PolarHBondContact NZ-O 3.06Å; H734-G736 PolarHBondContact ND1-O 3.04Å; H734-G738 PolarHBondContact CE1-O 3.08Å; H734-G738 VanDerWaalsContact CE1-O 3.31Å; H734-Y744 HydrophobicContact CB-CD1 3.99Å; H734-Y744 HydrophobicContact CB-CE1 3.73Å; H734-Y744 AromaticContact CD2-CE1 3.58Å; H734-Y744 AromaticContact CD2-CE2 3.64Å; H734-Y744 AromaticContact CD2-CZ 3.37Å; H734-Y778 HydrophobicContact CB-CG 4.36Å
735	H	89	Confident	88.2	Confident	68 Å²	68	20.5 Å²	20.5	32%	0.315	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.4	167.8	-55.7	98.7	0	0	0	110.2	G742 H743 T745	H735-G742 CarbonylContact O-C 3.55Å; H735-G742 WeakPolarHBondContact O-CA 3.3Å; H735-H743 HydrophobicContact CB-CB 4.31Å; H735-H743 WeakPolarHBondContact CB-O 3.46Å; H735-H743 PolarHBondContact N-O 3.28Å; H735-H743 AromaticContact ND1-CD2 3.96Å; H735-H743 PolarHBondContact ND1-O 3.14Å; H735-H743 PolarHBondContact O-N 3.38Å; H735-T745 VanDerWaalsContact CE1-CG2 3.5Å; H735-T745 WeakPolarHBondContact CE1-CG2 3.49Å; H735-T745 PolarHBondContact CE1-OG1 2.62Å; H735-T745 VanDerWaalsContact CE1-OG1 3.23Å
736	G	81.5	Confident	88.5	Confident	14 Å²	14	20.5 Å²	20.5	14%	0.144	10%	0.103	C	C	.	.	S	Bend	trans	98.3	167.6	-180	0	0	0	0	0	114.8	E34 K654 H734	E34-G736 WeakPolarHBondContact OE1-CA 3.41Å; E34-G736 WeakPolarHBondContact OE2-CA 3.34Å; K654-G736 WeakPolarHBondContact CD-O 3.4Å; K654-G736 WeakPolarHBondContact CE-O 3.4Å; K654-G736 PolarHBondContact NZ-O 3.28Å; H734-G736 PolarHBondContact ND1-O 3.04Å
737	R	72.5	Confident	88.7	Confident	82 Å²	82	21.2 Å²	21.2	31%	0.309	11%	0.105	S	C	.	.	S	Bend	trans	-96.6	-17.1	-169.6	-66.6	-168.4	-177.4	-115.2	2.2	115.3	E34 S154 E464 K654	E34-R737 PolarHBondContact OE1-N 3.43Å; S154-R737 PolarHBondContact OG-NE 3.26Å; E464-R737 IonicContact OE1-NH1 3.42Å; E464-R737 PolarHBondContact OE1-NH1 3.14Å; K654-R737 WeakPolarHBondContact CB-O 3.44Å; K654-R737 PolarHBondContact N-O 3Å
738	G	68.7	Low	88.8	Confident	13 Å²	13	19.9 Å²	19.9	13%	0.134	10%	0.099	C	C	.	.			trans	-119.2	164	-171	0	0	0	0	0	113.6	H734 S741	H734-G738 PolarHBondContact CE1-O 3.08Å; H734-G738 VanDerWaalsContact CE1-O 3.31Å; G738-S741 CarbonylContact C-O 3.49Å; G738-S741 PolarHBondContact N-O 3.36Å; G738-S741 CarbonylContact O-C 3.52Å
739	L	67.2	Low	88.6	Confident	53 Å²	53	20 Å²	20	28%	0.277	10%	0.1	S	C	.	.	S	Bend	trans	-77	-35.8	173	-176.2	70.5	0	0	0	112.1	S741	L739-S741 VanDerWaalsContact C-N 3.31Å
740	Q	69.3	Low	88.2	Confident	135 Å²	135	19.6 Å²	19.6	63%	0.631	10%	0.097	S	C	*	.	S	Bend	trans	-87.2	-2.9	179.2	-61.2	-178.7	4.7	0	0	112.7	Q390	Q390-Q740 VanDerWaalsContact CD-O 3.25Å; Q390-Q740 PolarHBondContact OE1-O 2.88Å; Q390-Q740 VanDerWaalsContact OE1-O 3.07Å
741	S	75.5	Confident	87.3	Confident	4 Å²	4	23.2 Å²	23.2	3%	0.028	12%	0.116	C	C	.	.	S	Bend	trans	-145	112.1	175.9	66	0	0	0	0	111.2	R147 G738 L739	R147-S741 PolarHBondContact NH2-OG 3.06Å; G738-S741 CarbonylContact C-O 3.49Å; G738-S741 PolarHBondContact N-O 3.36Å; G738-S741 CarbonylContact O-C 3.52Å; L739-S741 VanDerWaalsContact C-N 3.31Å
742	G	86.1	Confident	86.1	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.01	15%	0.152	C	C	.	.			trans	-174.9	-174.8	171.6	0	0	0	0	0	113.1	T33 Q390 H735	T33-G742 CarbonylContact C-O 3.59Å; T33-G742 PolarHBondContact OG1-O 3.25Å; Q390-G742 PolarHBondContact NE2-O 2.85Å; H735-G742 CarbonylContact O-C 3.55Å; H735-G742 WeakPolarHBondContact O-CA 3.3Å
743	H	92.2	Very high	85	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.019	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	119	-178.1	178.8	68	0	0	0	110.7	T33 H735 T745 N760 D761	T33-H743 WeakPolarHBondContact OG1-CA 3.41Å; T33-H743 WeakPolarHBondContact OG1-CB 3.39Å; T33-H743 PolarHBondContact OG1-ND1 3.1Å; T33-H743 VanDerWaalsContact OG1-ND1 3.15Å; H735-H743 HydrophobicContact CB-CB 4.31Å; H735-H743 WeakPolarHBondContact CB-O 3.46Å; H735-H743 PolarHBondContact N-O 3.28Å; H735-H743 AromaticContact ND1-CD2 3.96Å; H735-H743 PolarHBondContact ND1-O 3.14Å; H735-H743 PolarHBondContact O-N 3.38Å; H743-T745 WeakPolarHBondContact NE2-CG2 3.42Å; H743-N760 PolarHBondContact CE1-OD1 3.39Å; H743-N760 PolarHBondContact NE2-OD1 3.36Å; H743-D761 IonicContact CE1-OD2 3.48Å; H743-D761 PolarHBondContact CE1-OD2 3.38Å; H743-D761 VanDerWaalsContact CE1-OD2 3.3Å
744	Y	96.9	Very high	84.2	Confident	8 Å²	8	36 Å²	36	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.7	179.1	-67.9	-88.2	0	0	0	111.6	C201 S205 Q391 A393 V732 V733 H734 Y778	C201-Y744 PolarHBondContact SG-N 2.81Å; S205-Y744 WeakPolarHBondContact OG-CB 3.2Å; Q391-Y744 WeakPolarHBondContact O-CE2 3.18Å; A393-Y744 HydrophobicContact CB-CD1 3.69Å; A393-Y744 HydrophobicContact CB-CD2 4.4Å; A393-Y744 HydrophobicContact CB-CE1 3.46Å; A393-Y744 VanDerWaalsContact CB-CE1 3.46Å; A393-Y744 HydrophobicContact CB-CE2 4.21Å; A393-Y744 HydrophobicContact CB-CG 4.15Å; A393-Y744 PolarHBondContact N-OH 3.36Å; V732-Y744 HydrophobicContact CG1-CD1 3.95Å; V733-Y744 CarbonylContact O-C 3.52Å; V733-Y744 VanDerWaalsContact O-CA 3.25Å; V733-Y744 WeakPolarHBondContact O-CA 3.44Å; H734-Y744 HydrophobicContact CB-CD1 3.99Å; H734-Y744 HydrophobicContact CB-CE1 3.73Å; H734-Y744 AromaticContact CD2-CE1 3.58Å; H734-Y744 AromaticContact CD2-CE2 3.64Å; H734-Y744 AromaticContact CD2-CZ 3.37Å; Y744-Y778 HydrophobicContact CD1-CD1 4.42Å; Y744-Y778 AromaticContact CE1-CD1 3.71Å; Y744-Y778 HydrophobicContact CE1-CD1 3.71Å; Y744-Y778 AromaticContact CE1-CE1 3.77Å; Y744-Y778 HydrophobicContact CE1-CE1 3.77Å
745	T	97.2	Very high	83.9	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	173.3	164.6	74.7	0	0	0	0	109.7	V733 H735 H743 H758 C759 N760	V733-T745 PolarHBondContact N-O 2.83Å; V733-T745 PolarHBondContact O-N 2.83Å; H735-T745 VanDerWaalsContact CE1-CG2 3.5Å; H735-T745 WeakPolarHBondContact CE1-CG2 3.49Å; H735-T745 PolarHBondContact CE1-OG1 2.62Å; H735-T745 VanDerWaalsContact CE1-OG1 3.23Å; H743-T745 WeakPolarHBondContact NE2-CG2 3.42Å; T745-H758 PolarHBondContact OG1-NE2 3.39Å; T745-C759 WeakPolarHBondContact CB-O 3.44Å; T745-N760 HydrophobicContact CG2-CB 3.86Å
746	S	98.4	Very high	83.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.6	178.1	49.3	0	0	0	0	111.4	Q208 V731 C759	Q208-S746 VanDerWaalsContact CB-OG 3.25Å; Q208-S746 WeakPolarHBondContact CB-OG 3.46Å; V731-S746 CarbonylContact O-C 3.53Å; V731-S746 VanDerWaalsContact O-CA 3.26Å; V731-S746 WeakPolarHBondContact O-CA 3.13Å; S746-C759 PolarHBondContact N-O 3.06Å; S746-C759 PolarHBondContact O-N 3.07Å; S746-C759 WeakPolarHBondContact OG-CB 3.4Å
747	Y	97.6	Very high	84.5	Confident	17 Å²	17	34.1 Å²	34.1	7%	0.067	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.3	163.2	-62	-84.8	0	0	0	108.4	I209 G730 V731 V733 L757 H758 E771 V772 A775	I209-Y747 VanDerWaalsContact CD1-O 3.3Å; I209-Y747 WeakPolarHBondContact CD1-O 3.49Å; G730-Y747 CarbonylContact C-O 3.57Å; G730-Y747 WeakPolarHBondContact CA-O 3.39Å; V731-Y747 HydrophobicContact CB-CD2 4.31Å; V731-Y747 PolarHBondContact N-O 2.87Å; V731-Y747 PolarHBondContact O-N 3.26Å; V733-Y747 HydrophobicContact CG2-CD2 4.04Å; V733-Y747 HydrophobicContact CG2-CE2 3.81Å; Y747-L757 CarbonylContact C-O 2.84Å; Y747-L757 WeakPolarHBondContact CA-O 3.35Å; Y747-H758 HydrophobicContact CD1-CB 3.84Å; Y747-H758 HydrophobicContact CE1-CB 3.64Å; Y747-H758 AromaticContact CE1-CD2 3.6Å; Y747-H758 AromaticContact CE1-CG 3.6Å; Y747-H758 AromaticContact CZ-CD2 3.74Å; Y747-E771 HydrophobicContact CE1-CG 4.11Å; Y747-V772 HydrophobicContact CD1-CG2 3.74Å; Y747-V772 HydrophobicContact CE1-CG2 4.43Å; Y747-V772 HydrophobicContact CG-CG1 4.35Å; Y747-V772 HydrophobicContact CG-CG2 3.96Å; Y747-A775 HydrophobicContact CD2-CB 4.23Å; Y747-A775 HydrophobicContact CE2-CB 3.66Å
748	C	95.8	Very high	85.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134	-178.8	-55.4	0	0	0	0	110	Q208 H212 N750 W756 L757	Q208-C748 VanDerWaalsContact C-SG 3.58Å; Q208-C748 PolarHBondContact O-SG 3.43Å; H212-C748 HydrophobicContact CB-CB 3.9Å; H212-C748 WeakPolarHBondContact CD2-CB 3.15Å; C748-N750 PolarHBondContact O-N 2.74Å; C748-W756 VanDerWaalsContact C-CE3 3.49Å; C748-L757 PolarHBondContact N-O 3.04Å; C748-L757 PolarHBondContact O-N 3.21Å
749	L	91.8	Very high	86.8	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.7	167.6	-176	62.6	0	0	0	108	T729 E754 W756	T729-L749 HydrophobicContact CG2-CD2 4.47Å; T729-L749 PolarHBondContact O-N 2.83Å; L749-E754 HydrophobicContact CD1-CG 4.32Å; L749-W756 HydrophobicContact CB-CD2 4.41Å; L749-W756 HydrophobicContact CB-CE3 4.25Å; L749-W756 HydrophobicContact CB-CH2 3.91Å; L749-W756 HydrophobicContact CB-CZ2 4.1Å; L749-W756 HydrophobicContact CB-CZ3 4.01Å; L749-W756 HydrophobicContact CD1-CD2 4.24Å; L749-W756 HydrophobicContact CD1-CG 4.44Å; L749-W756 HydrophobicContact CD1-CZ2 4.35Å
750	N	86.9	Confident	88.1	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.7	167.6	-174.3	56.5	0	0	0	108.5	A190 H212 W362 C748 N752 P753 E754 C755 L757	A190-N750 WeakPolarHBondContact CB-OD1 3.37Å; H212-N750 PolarHBondContact CE1-OD1 3.44Å; W362-N750 WeakPolarHBondContact CH2-OD1 3.27Å; C748-N750 PolarHBondContact O-N 2.74Å; N750-N752 PolarHBondContact ND2-O 3.35Å; N750-P753 CarbonylContact C-O 3.46Å; N750-P753 PolarHBondContact ND2-O 2.92Å; N750-E754 CarbonylContact O-C 3.52Å; N750-E754 WeakPolarHBondContact O-CA 3.16Å; N750-C755 PolarHBondContact N-O 2.66Å; N750-C755 PolarHBondContact O-N 2.92Å; N750-L757 HydrophobicContact CB-CD1 3.98Å; N750-L757 HydrophobicContact CB-CG 4.19Å
751	D	79	Confident	89.4	Confident	77 Å²	77	23.8 Å²	23.8	41%	0.412	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-29	-177.5	-65.3	-27.3	0	0	0	112.7	P753 E754	D751-P753 CarbonylContact O-C 3.54Å; D751-E754 WeakPolarHBondContact O-CA 3.42Å; D751-E754 PolarHBondContact O-N 3.47Å; D751-E754 VanDerWaalsContact O-N 3.15Å
752	N	73.6	Confident	90.2	Very high	140 Å²	140	25.5 Å²	25.5	75%	0.749	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139.6	99.5	-173.3	-74	-43.9	0	0	0	111.9	N750	N750-N752 PolarHBondContact ND2-O 3.35Å
753	P	75.6	Confident	90.4	Very high	73 Å²	73	29.6 Å²	29.6	47%	0.474	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	cis	-66.3	153.5	-8.5	31	-35.6	0	0	0	111.4	N750 D751 C755	N750-P753 CarbonylContact C-O 3.46Å; N750-P753 PolarHBondContact ND2-O 2.92Å; D751-P753 CarbonylContact O-C 3.54Å; P753-C755 PolarHBondContact O-N 2.95Å; P753-C755 PolarHBondContact O-SG 3.02Å; P753-C755 VanDerWaalsContact O-SG 3.4Å
754	E	78.6	Confident	90.4	Very high	61 Å²	61	30.7 Å²	30.7	29%	0.285	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	98.4	175.7	-170.5	171.4	-155.7	0	0	110.7	L749 N750 D751 P792 K793 W794	L749-E754 HydrophobicContact CD1-CG 4.32Å; N750-E754 CarbonylContact O-C 3.52Å; N750-E754 WeakPolarHBondContact O-CA 3.16Å; D751-E754 WeakPolarHBondContact O-CA 3.42Å; D751-E754 PolarHBondContact O-N 3.47Å; D751-E754 VanDerWaalsContact O-N 3.15Å; E754-P792 VanDerWaalsContact OE1-CA 3.25Å; E754-P792 WeakPolarHBondContact OE1-CA 3.39Å; E754-P792 WeakPolarHBondContact OE1-CB 3.06Å; E754-P792 WeakPolarHBondContact OE2-CA 3.33Å; E754-K793 PolarHBondContact OE2-N 3.31Å; E754-W794 PolarHBondContact OE1-NE1 3Å
755	C	87.7	Confident	90	Very high	26 Å²	26	32 Å²	32	18%	0.176	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	153	-177.3	64.7	0	0	0	0	112.6	N750 P753 L766	N750-C755 PolarHBondContact N-O 2.66Å; N750-C755 PolarHBondContact O-N 2.92Å; P753-C755 PolarHBondContact O-N 2.95Å; P753-C755 PolarHBondContact O-SG 3.02Å; P753-C755 VanDerWaalsContact O-SG 3.4Å; C755-L766 HydrophobicContact CB-CD2 3.95Å
756	W	90.8	Very high	89.7	Confident	16 Å²	16	36 Å²	36	6%	0.061	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.5	174.3	-76.7	101.4	0	0	0	111.7	L663 L728 C748 L749 C767 F769 V772	L663-W756 HydrophobicContact CD1-CZ2 4.12Å; L728-W756 HydrophobicContact CB-CH2 4.35Å; L728-W756 HydrophobicContact CB-CZ2 4.44Å; L728-W756 HydrophobicContact CD2-CH2 3.9Å; L728-W756 HydrophobicContact CD2-CZ2 4.18Å; L728-W756 HydrophobicContact CG-CH2 3.86Å; L728-W756 HydrophobicContact CG-CZ2 4.34Å; L728-W756 WeakPolarHBondContact O-CH2 3.26Å; L728-W756 WeakPolarHBondContact O-CZ2 3.37Å; C748-W756 VanDerWaalsContact C-CE3 3.49Å; L749-W756 HydrophobicContact CB-CD2 4.41Å; L749-W756 HydrophobicContact CB-CE3 4.25Å; L749-W756 HydrophobicContact CB-CH2 3.91Å; L749-W756 HydrophobicContact CB-CZ2 4.1Å; L749-W756 HydrophobicContact CB-CZ3 4.01Å; L749-W756 HydrophobicContact CD1-CD2 4.24Å; L749-W756 HydrophobicContact CD1-CG 4.44Å; L749-W756 HydrophobicContact CD1-CZ2 4.35Å; W756-C767 PolarHBondContact O-N 3.49Å; W756-F769 HydrophobicContact CZ2-CD2 4.36Å; W756-F769 AromaticContact NE1-CD2 3.98Å; W756-V772 HydrophobicContact CB-CG2 4.18Å; W756-V772 HydrophobicContact CD2-CG2 3.79Å; W756-V772 HydrophobicContact CE3-CG1 4.34Å; W756-V772 HydrophobicContact CE3-CG2 3.82Å; W756-V772 HydrophobicContact CG-CG2 3.96Å; W756-V772 HydrophobicContact CH2-CG1 4.41Å; W756-V772 HydrophobicContact CZ3-CG1 4.22Å; W756-V772 HydrophobicContact CZ3-CG2 4.49Å
757	L	92.4	Very high	89.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.4	176	-55.1	-177.9	0	0	0	109.7	F191 Y747 C748 N750 V764 S765 L766	F191-L757 HydrophobicContact CD1-CD2 3.85Å; F191-L757 HydrophobicContact CE1-CD2 3.25Å; F191-L757 HydrophobicContact CE2-CD2 4.31Å; F191-L757 HydrophobicContact CZ-CD2 3.54Å; Y747-L757 CarbonylContact C-O 2.84Å; Y747-L757 WeakPolarHBondContact CA-O 3.35Å; C748-L757 PolarHBondContact N-O 3.04Å; C748-L757 PolarHBondContact O-N 3.21Å; N750-L757 HydrophobicContact CB-CD1 3.98Å; N750-L757 HydrophobicContact CB-CG 4.19Å; L757-V764 HydrophobicContact CB-CG1 4.25Å; L757-V764 HydrophobicContact CD1-CG1 4.41Å; L757-S765 CarbonylContact C-O 3.52Å; L757-S765 WeakPolarHBondContact CA-O 3.39Å; L757-L766 HydrophobicContact CD2-CD2 3.83Å
758	H	95.3	Very high	88.6	Confident	26 Å²	26	40.6 Å²	40.6	12%	0.12	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	111.8	164.2	179.5	-149.7	0	0	0	108.8	T745 Y747 V764 S765 C767 E771	T745-H758 PolarHBondContact OG1-NE2 3.39Å; Y747-H758 HydrophobicContact CD1-CB 3.84Å; Y747-H758 HydrophobicContact CE1-CB 3.64Å; Y747-H758 AromaticContact CE1-CD2 3.6Å; Y747-H758 AromaticContact CE1-CG 3.6Å; Y747-H758 AromaticContact CZ-CD2 3.74Å; H758-V764 WeakPolarHBondContact O-CA 3.1Å; H758-S765 PolarHBondContact N-O 3.35Å; H758-S765 PolarHBondContact O-N 3.44Å; H758-C767 HydrophobicContact CB-CB 4.4Å; H758-E771 IonicContact ND1-OE1 3.34Å
759	C	95.3	Very high	88.2	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	103.6	-178.3	-58	0	0	0	0	109.9	Q208 T745 S746 V764	Q208-C759 HydrophobicContact CB-CB 4.14Å; Q208-C759 HydrophobicContact CG-CB 3.81Å; Q208-C759 PolarHBondContact OE1-SG 2.94Å; T745-C759 WeakPolarHBondContact CB-O 3.44Å; S746-C759 PolarHBondContact N-O 3.06Å; S746-C759 PolarHBondContact O-N 3.07Å; S746-C759 WeakPolarHBondContact OG-CB 3.4Å; C759-V764 HydrophobicContact CB-CG2 4.32Å
760	N	94.6	Very high	88	Confident	27 Å²	27	47.3 Å²	47.3	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	88.1	172.2	177.7	-12.5	0	0	0	108.5	H743 T745 A762 N763	H743-N760 PolarHBondContact CE1-OD1 3.39Å; H743-N760 PolarHBondContact NE2-OD1 3.36Å; T745-N760 HydrophobicContact CG2-CB 3.86Å; N760-A762 PolarHBondContact O-N 3.22Å; N760-N763 CarbonylContact C-O 3.59Å; N760-N763 PolarHBondContact N-O 3.48Å; N760-N763 WeakPolarHBondContact O-CA 3.38Å; N760-N763 PolarHBondContact O-N 3.39Å; N760-N763 VanDerWaalsContact O-O 3.12Å
761	D	95.4	Very high	88.2	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.064	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	-114.1	-177.2	-71.6	-37.7	0	0	0	111.7	G193 L194 N196 N204 H743 N763	G193-D761 CarbonylContact C-O 3.59Å; G193-D761 VanDerWaalsContact CA-O 3.23Å; G193-D761 WeakPolarHBondContact CA-O 3.47Å; L194-D761 PolarHBondContact N-O 3.24Å; L194-D761 CarbonylContact O-C 3.58Å; L194-D761 WeakPolarHBondContact O-CA 3.39Å; L194-D761 WeakPolarHBondContact O-CB 3.04Å; N196-D761 HydrophobicContact CB-CB 4.27Å; N196-D761 WeakPolarHBondContact CB-OD2 3.48Å; N196-D761 PolarHBondContact ND2-OD2 2.77Å; N204-D761 WeakPolarHBondContact CB-OD1 3.41Å; N204-D761 PolarHBondContact ND2-OD1 2.85Å; H743-D761 IonicContact CE1-OD2 3.48Å; H743-D761 PolarHBondContact CE1-OD2 3.38Å; H743-D761 VanDerWaalsContact CE1-OD2 3.3Å; D761-N763 VanDerWaalsContact C-N 3.26Å; D761-N763 PolarHBondContact O-N 2.95Å
762	A	92.4	Very high	88.8	Confident	40 Å²	40	47 Å²	47	33%	0.331	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.5	-177.5	0	0	0	0	0	112.8	L194 V368 N760	L194-A762 PolarHBondContact O-N 2.76Å; V368-A762 HydrophobicContact CG1-CB 3.75Å; V368-A762 HydrophobicContact CG2-CB 4.12Å; V368-A762 WeakPolarHBondContact CG2-O 3.39Å; N760-A762 PolarHBondContact O-N 3.22Å
763	N	90.8	Very high	89.8	Confident	87 Å²	87	41.8 Å²	41.8	47%	0.465	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.1	-179.2	-179.5	56.7	0	0	0	110.3	N760 D761	N760-N763 CarbonylContact C-O 3.59Å; N760-N763 PolarHBondContact N-O 3.48Å; N760-N763 WeakPolarHBondContact O-CA 3.38Å; N760-N763 PolarHBondContact O-N 3.39Å; N760-N763 VanDerWaalsContact O-O 3.12Å; D761-N763 VanDerWaalsContact C-N 3.26Å; D761-N763 PolarHBondContact O-N 2.95Å
764	V	91.7	Very high	90.7	Very high	26 Å²	26	42.2 Å²	42.2	16%	0.158	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.8	172.8	-179.3	0	0	0	0	108.4	L757 H758 C759	L757-V764 HydrophobicContact CB-CG1 4.25Å; L757-V764 HydrophobicContact CD1-CG1 4.41Å; H758-V764 WeakPolarHBondContact O-CA 3.1Å; C759-V764 HydrophobicContact CB-CG2 4.32Å
765	S	89	Confident	91.4	Very high	36 Å²	36	39.7 Å²	39.7	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.9	-179.3	54.7	0	0	0	0	112.1	L757 H758	L757-S765 CarbonylContact C-O 3.52Å; L757-S765 WeakPolarHBondContact CA-O 3.39Å; H758-S765 PolarHBondContact N-O 3.35Å; H758-S765 PolarHBondContact O-N 3.44Å
766	L	90.5	Very high	91.7	Very high	84 Å²	84	40.6 Å²	40.6	44%	0.44	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	144.5	168.1	-69.8	176.1	0	0	0	110.9	L185 F191 C755 L757	L185-L766 HydrophobicContact CD1-CD1 3.28Å; L185-L766 HydrophobicContact CD1-CD2 4.07Å; L185-L766 HydrophobicContact CD1-CG 3.32Å; F191-L766 HydrophobicContact CE1-CD2 3.69Å; F191-L766 HydrophobicContact CE1-CG 4.15Å; F191-L766 HydrophobicContact CZ-CD2 3.95Å; C755-L766 HydrophobicContact CB-CD2 3.95Å; L757-L766 HydrophobicContact CD2-CD2 3.83Å
767	C	86.7	Confident	92	Very high	20 Å²	20	39.9 Å²	39.9	14%	0.135	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	168.3	170.4	56.9	0	0	0	0	109.9	W756 H758 E771	W756-C767 PolarHBondContact O-N 3.49Å; H758-C767 HydrophobicContact CB-CB 4.4Å; C767-E771 HydrophobicContact CB-CB 4.22Å; C767-E771 VanDerWaalsContact CB-CD 3.5Å; C767-E771 HydrophobicContact CB-CG 4.29Å; C767-E771 VanDerWaalsContact CB-OE2 3.22Å; C767-E771 WeakPolarHBondContact CB-OE2 3.27Å
768	D	86.2	Confident	92.3	Very high	94 Å²	94	39.9 Å²	39.9	50%	0.503	24%	0.235	S	C	.	.			trans	-99.3	167.5	171.5	65.3	31.8	0	0	0	111.1	S770 E771 V772	D768-S770 PolarHBondContact O-N 2.83Å; D768-S770 WeakPolarHBondContact OD1-CA 3.34Å; D768-S770 VanDerWaalsContact OD1-CB 3.32Å; D768-S770 WeakPolarHBondContact OD1-CB 3.46Å; D768-S770 PolarHBondContact OD1-N 3.32Å; D768-E771 WeakPolarHBondContact O-CB 2.79Å; D768-E771 PolarHBondContact O-N 3.04Å; D768-E771 PolarHBondContact OD1-N 3.02Å; D768-V772 WeakPolarHBondContact O-CG2 3.22Å; D768-V772 PolarHBondContact O-N 2.9Å
769	F	87.8	Confident	92.4	Very high	58 Å²	58	38.7 Å²	38.7	25%	0.254	23%	0.229	S	C	.	.	H	α-helix	trans	-65	-23.9	178.2	177.4	-106.3	0	0	0	112.7	L663 L728 W756 E771 V772 A773	L663-F769 HydrophobicContact CB-CE1 3.93Å; L663-F769 HydrophobicContact CB-CE2 3.88Å; L663-F769 HydrophobicContact CB-CZ 3.54Å; L663-F769 HydrophobicContact CD1-CD2 3.87Å; L663-F769 HydrophobicContact CD1-CE2 3.69Å; L663-F769 HydrophobicContact CD1-CZ 4.29Å; L663-F769 HydrophobicContact CD2-CD1 4.03Å; L663-F769 HydrophobicContact CD2-CD2 4.06Å; L663-F769 HydrophobicContact CD2-CE1 4.17Å; L663-F769 HydrophobicContact CD2-CE2 4.2Å; L663-F769 HydrophobicContact CD2-CG 3.98Å; L663-F769 HydrophobicContact CD2-CZ 4.27Å; L663-F769 HydrophobicContact CG-CD2 4.39Å; L663-F769 HydrophobicContact CG-CE2 4.13Å; L663-F769 HydrophobicContact CG-CZ 4.24Å; L728-F769 HydrophobicContact CD2-CE2 3.92Å; W756-F769 HydrophobicContact CZ2-CD2 4.36Å; W756-F769 AromaticContact NE1-CD2 3.98Å; F769-E771 VanDerWaalsContact C-N 3.35Å; F769-V772 HydrophobicContact CD2-CB 4.18Å; F769-V772 HydrophobicContact CD2-CG1 4.45Å; F769-V772 PolarHBondContact O-N 3.47Å; F769-A773 HydrophobicContact CD1-CB 4.44Å; F769-A773 HydrophobicContact CE1-CB 3.91Å; F769-A773 HydrophobicContact CE2-CB 4.38Å; F769-A773 HydrophobicContact CZ-CB 3.87Å; F769-A773 VanDerWaalsContact O-CB 3.32Å; F769-A773 WeakPolarHBondContact O-CB 3.41Å; F769-A773 PolarHBondContact O-N 3.37Å
770	S	87.7	Confident	92.6	Very high	88 Å²	88	38.6 Å²	38.6	62%	0.615	23%	0.229	S	C	*	.	H	α-helix	trans	-66	-39.6	177	-62.7	0	0	0	0	111.4	D768 S774	D768-S770 PolarHBondContact O-N 2.83Å; D768-S770 WeakPolarHBondContact OD1-CA 3.34Å; D768-S770 VanDerWaalsContact OD1-CB 3.32Å; D768-S770 WeakPolarHBondContact OD1-CB 3.46Å; D768-S770 PolarHBondContact OD1-N 3.32Å; S770-S774 WeakPolarHBondContact O-CB 3.4Å; S770-S774 PolarHBondContact O-N 3.1Å; S770-S774 VanDerWaalsContact O-N 3.1Å; S770-S774 PolarHBondContact O-OG 3.35Å
771	E	90.8	Very high	92.8	Very high	72 Å²	72	37.3 Å²	37.3	34%	0.336	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-49.2	169.9	-172.5	176	153.4	0	0	110.6	Y747 H758 C767 D768 F769 A773 S774 A775	Y747-E771 HydrophobicContact CE1-CG 4.11Å; H758-E771 IonicContact ND1-OE1 3.34Å; C767-E771 HydrophobicContact CB-CB 4.22Å; C767-E771 VanDerWaalsContact CB-CD 3.5Å; C767-E771 HydrophobicContact CB-CG 4.29Å; C767-E771 VanDerWaalsContact CB-OE2 3.22Å; C767-E771 WeakPolarHBondContact CB-OE2 3.27Å; D768-E771 WeakPolarHBondContact O-CB 2.79Å; D768-E771 PolarHBondContact O-N 3.04Å; D768-E771 PolarHBondContact OD1-N 3.02Å; F769-E771 VanDerWaalsContact C-N 3.35Å; E771-A773 PolarHBondContact O-N 2.81Å; E771-S774 PolarHBondContact O-N 2.99Å; E771-S774 PolarHBondContact O-OG 3.06Å; E771-A775 PolarHBondContact O-N 3.22Å
772	V	93	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-49.2	178.5	-177.2	0	0	0	0	111.6	F661 L728 V731 Y747 W756 D768 F769 S774 A775	F661-V772 HydrophobicContact CE2-CG1 4.4Å; F661-V772 WeakPolarHBondContact CZ-O 3.05Å; L728-V772 HydrophobicContact CD2-CG1 4Å; V731-V772 HydrophobicContact CG2-CG1 3.87Å; Y747-V772 HydrophobicContact CD1-CG2 3.74Å; Y747-V772 HydrophobicContact CE1-CG2 4.43Å; Y747-V772 HydrophobicContact CG-CG1 4.35Å; Y747-V772 HydrophobicContact CG-CG2 3.96Å; W756-V772 HydrophobicContact CB-CG2 4.18Å; W756-V772 HydrophobicContact CD2-CG2 3.79Å; W756-V772 HydrophobicContact CE3-CG1 4.34Å; W756-V772 HydrophobicContact CE3-CG2 3.82Å; W756-V772 HydrophobicContact CG-CG2 3.96Å; W756-V772 HydrophobicContact CH2-CG1 4.41Å; W756-V772 HydrophobicContact CZ3-CG1 4.22Å; W756-V772 HydrophobicContact CZ3-CG2 4.49Å; D768-V772 WeakPolarHBondContact O-CG2 3.22Å; D768-V772 PolarHBondContact O-N 2.9Å; F769-V772 HydrophobicContact CD2-CB 4.18Å; F769-V772 HydrophobicContact CD2-CG1 4.45Å; F769-V772 PolarHBondContact O-N 3.47Å; V772-S774 VanDerWaalsContact C-N 3.26Å; V772-S774 PolarHBondContact O-N 3.34Å; V772-A775 WeakPolarHBondContact O-CB 3.42Å; V772-A775 PolarHBondContact O-N 3.35Å
773	A	93.2	Very high	92.9	Very high	30 Å²	30	35.4 Å²	35.4	25%	0.248	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-26.4	-179	0	0	0	0	0	113.3	H658 F769 E771 A775	H658-A773 PolarHBondContact NE2-O 3.1Å; H658-A773 VanDerWaalsContact NE2-O 3.09Å; F769-A773 HydrophobicContact CD1-CB 4.44Å; F769-A773 HydrophobicContact CE1-CB 3.91Å; F769-A773 HydrophobicContact CE2-CB 4.38Å; F769-A773 HydrophobicContact CZ-CB 3.87Å; F769-A773 VanDerWaalsContact O-CB 3.32Å; F769-A773 WeakPolarHBondContact O-CB 3.41Å; F769-A773 PolarHBondContact O-N 3.37Å; E771-A773 PolarHBondContact O-N 2.81Å; A773-A775 VanDerWaalsContact C-N 3.27Å
774	S	94.3	Very high	93	Very high	81 Å²	81	33.8 Å²	33.8	57%	0.566	20%	0.197	S	C	*	.	H	α-helix	trans	-77.7	-13.3	175.1	76.9	0	0	0	0	113.4	S770 E771 V772	S770-S774 WeakPolarHBondContact O-CB 3.4Å; S770-S774 PolarHBondContact O-N 3.1Å; S770-S774 VanDerWaalsContact O-N 3.1Å; S770-S774 PolarHBondContact O-OG 3.35Å; E771-S774 PolarHBondContact O-N 2.99Å; E771-S774 PolarHBondContact O-OG 3.06Å; V772-S774 VanDerWaalsContact C-N 3.26Å; V772-S774 PolarHBondContact O-N 3.34Å
775	A	94	Very high	92.6	Very high	9 Å²	9	32.9 Å²	32.9	7%	0.074	19%	0.191	C	C	.	.	S	Bend	trans	-67.6	145.9	-174.1	0	0	0	0	0	113	V733 Y747 E771 V772 A773 A777	V733-A775 HydrophobicContact CG2-CB 3.85Å; Y747-A775 HydrophobicContact CD2-CB 4.23Å; Y747-A775 HydrophobicContact CE2-CB 3.66Å; E771-A775 PolarHBondContact O-N 3.22Å; V772-A775 WeakPolarHBondContact O-CB 3.42Å; V772-A775 PolarHBondContact O-N 3.35Å; A773-A775 VanDerWaalsContact C-N 3.27Å; A775-A777 PolarHBondContact O-N 2.99Å
776	Q	94	Very high	91.6	Very high	45 Å²	45	35 Å²	35	21%	0.21	20%	0.198	C	C	.	.			trans	-78.5	72.8	172.6	-171.3	-177.6	79.1	0	0	110.1	T656 Y778	T656-Q776 VanDerWaalsContact C-NE2 3.3Å; T656-Q776 PolarHBondContact O-NE2 2.85Å; Q776-Y778 PolarHBondContact O-N 2.83Å
777	A	97.6	Very high	89.7	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	133.1	-175.1	0	0	0	0	0	112.3	I642 R644 F661 V731 A775 L780	I642-A777 HydrophobicContact CD1-CB 4.33Å; R644-A777 VanDerWaalsContact CZ-O 3.25Å; R644-A777 PolarHBondContact NE-O 3.44Å; R644-A777 PolarHBondContact NH2-O 3.39Å; F661-A777 HydrophobicContact CD1-CB 3.99Å; F661-A777 HydrophobicContact CE1-CB 3.48Å; F661-A777 VanDerWaalsContact CE1-CB 3.48Å; F661-A777 HydrophobicContact CZ-CB 4.04Å; V731-A777 HydrophobicContact CG1-CB 3.57Å; A775-A777 PolarHBondContact O-N 2.99Å; A777-L780 HydrophobicContact CB-CD1 3.87Å; A777-L780 HydrophobicContact CB-CD2 4.06Å; A777-L780 HydrophobicContact CB-CG 3.92Å
778	Y	97.6	Very high	87.7	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-46.8	174.6	178.2	-121.6	0	0	0	111	D392 A393 Q394 H641 I642 F645 V732 H734 Y744 Q776	D392-Y778 PolarHBondContact OD1-OH 2.74Å; D392-Y778 PolarHBondContact OD2-OH 3.48Å; A393-Y778 HydrophobicContact CB-CE1 4.5Å; Q394-Y778 HydrophobicContact CB-CE1 4.13Å; H641-Y778 AromaticContact CD2-CE2 3.75Å; H641-Y778 AromaticContact CD2-CZ 3.97Å; H641-Y778 AromaticContact NE2-CE2 3.43Å; H641-Y778 WeakPolarHBondContact NE2-CE2 3.31Å; H641-Y778 AromaticContact NE2-CZ 3.63Å; H641-Y778 PolarHBondContact NE2-OH 3.33Å; I642-Y778 PolarHBondContact N-O 3.28Å; F645-Y778 AromaticContact CD2-CE2 4Å; F645-Y778 HydrophobicContact CD2-CE2 4Å; F645-Y778 HydrophobicContact CE2-CD2 4.44Å; F645-Y778 AromaticContact CE2-CE2 3.81Å; F645-Y778 HydrophobicContact CE2-CE2 3.81Å; V732-Y778 HydrophobicContact CG1-CD1 4.38Å; V732-Y778 WeakPolarHBondContact O-CA 3.47Å; V732-Y778 WeakPolarHBondContact O-CB 3.32Å; V732-Y778 PolarHBondContact O-N 3.09Å; H734-Y778 HydrophobicContact CB-CG 4.36Å; Y744-Y778 HydrophobicContact CD1-CD1 4.42Å; Y744-Y778 AromaticContact CE1-CD1 3.71Å; Y744-Y778 HydrophobicContact CE1-CD1 3.71Å; Y744-Y778 AromaticContact CE1-CE1 3.77Å; Y744-Y778 HydrophobicContact CE1-CE1 3.77Å; Q776-Y778 PolarHBondContact O-N 2.83Å
779	I	98.6	Very high	86	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.5	171.5	-47.2	171.4	0	0	0	108.2	I206 Q394 L640 V731 V732 F781	I206-I779 HydrophobicContact CD1-CD1 4.18Å; Q394-I779 HydrophobicContact CB-CD1 3.78Å; Q394-I779 HydrophobicContact CB-CG1 4.44Å; Q394-I779 HydrophobicContact CG-CD1 4.27Å; L640-I779 CarbonylContact O-C 3.52Å; L640-I779 WeakPolarHBondContact O-CA 3.3Å; V731-I779 CarbonylContact C-O 3.44Å; V731-I779 WeakPolarHBondContact CA-O 3.42Å; V732-I779 HydrophobicContact CB-CB 4Å; V732-I779 HydrophobicContact CB-CD1 4.48Å; V732-I779 HydrophobicContact CB-CG1 4.33Å; V732-I779 HydrophobicContact CG2-CB 4.15Å; V732-I779 HydrophobicContact CG2-CD1 4.46Å; V732-I779 PolarHBondContact N-O 3.31Å; V732-I779 PolarHBondContact O-N 2.86Å; I779-F781 HydrophobicContact CB-CE2 4.48Å; I779-F781 HydrophobicContact CG2-CD2 4.07Å; I779-F781 HydrophobicContact CG2-CE2 3.63Å
780	L	98.7	Very high	84.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.1	174.5	-56.7	99.3	0	0	0	110.7	I470 R639 L640 I642 F661 L728 V731 A777 Y782	I470-L780 HydrophobicContact CD1-CD1 4.21Å; R639-L780 WeakPolarHBondContact CA-O 3.23Å; L640-L780 HydrophobicContact CB-CB 4.3Å; L640-L780 HydrophobicContact CB-CD1 4.33Å; L640-L780 PolarHBondContact N-O 2.92Å; L640-L780 PolarHBondContact O-N 3.45Å; I642-L780 HydrophobicContact CD1-CD1 3.77Å; I642-L780 HydrophobicContact CG1-CD1 4.05Å; F661-L780 HydrophobicContact CB-CD2 3.59Å; F661-L780 HydrophobicContact CD1-CD2 3.66Å; F661-L780 HydrophobicContact CD2-CD2 3.52Å; F661-L780 HydrophobicContact CE1-CD2 4.22Å; F661-L780 HydrophobicContact CE2-CD2 4.07Å; F661-L780 HydrophobicContact CG-CD2 3.29Å; F661-L780 HydrophobicContact CZ-CD2 4.38Å; L728-L780 HydrophobicContact CD1-CB 4.23Å; L728-L780 HydrophobicContact CD1-CD2 3.98Å; V731-L780 HydrophobicContact CG2-CD2 4.41Å; A777-L780 HydrophobicContact CB-CD1 3.87Å; A777-L780 HydrophobicContact CB-CD2 4.06Å; A777-L780 HydrophobicContact CB-CG 3.92Å; L780-Y782 HydrophobicContact CB-CD2 4.15Å; L780-Y782 HydrophobicContact CB-CE2 3.89Å; L780-Y782 HydrophobicContact CD2-CE2 4.04Å
781	F	98.4	Very high	82.7	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.5	175.7	-78.9	-114.3	0	0	0	109	I209 L210 L397 F426 V637 R639 T729 G730 I779	I209-F781 HydrophobicContact CG2-CB 4.34Å; I209-F781 HydrophobicContact CG2-CD1 3.67Å; I209-F781 HydrophobicContact CG2-CD2 3.54Å; I209-F781 HydrophobicContact CG2-CE1 3.68Å; I209-F781 HydrophobicContact CG2-CE2 3.56Å; I209-F781 HydrophobicContact CG2-CG 3.59Å; I209-F781 HydrophobicContact CG2-CZ 3.61Å; L210-F781 HydrophobicContact CD2-CE1 4.47Å; L397-F781 HydrophobicContact CD1-CZ 4.48Å; L397-F781 HydrophobicContact CD2-CE2 4.17Å; L397-F781 HydrophobicContact CD2-CZ 3.62Å; F426-F781 HydrophobicContact CE1-CD1 4.41Å; F426-F781 HydrophobicContact CE1-CE1 4.01Å; V637-F781 HydrophobicContact CG1-CD1 3.92Å; R639-F781 HydrophobicContact CG-CD1 4.11Å; R639-F781 HydrophobicContact CG-CE1 3.86Å; R639-F781 HydrophobicContact CG-CZ 4.12Å; T729-F781 PolarHBondContact N-O 2.89Å; T729-F781 PolarHBondContact OG1-O 2.85Å; G730-F781 PolarHBondContact N-O 3.38Å; G730-F781 VanDerWaalsContact N-O 3.15Å; G730-F781 PolarHBondContact O-N 3.4Å; I779-F781 HydrophobicContact CB-CE2 4.48Å; I779-F781 HydrophobicContact CG2-CD2 4.07Å; I779-F781 HydrophobicContact CG2-CE2 3.63Å
782	Y	97.3	Very high	81	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.3	177.4	-84.8	-85.2	0	0	0	108.9	V637 L638 L640 P662 L665 H727 L728 L780	V637-Y782 CarbonylContact C-O 3.52Å; V637-Y782 VanDerWaalsContact CA-O 3.31Å; V637-Y782 WeakPolarHBondContact CA-O 3.4Å; L638-Y782 PolarHBondContact N-O 3.05Å; L638-Y782 PolarHBondContact O-N 3.38Å; L640-Y782 HydrophobicContact CD1-CD2 4.07Å; L640-Y782 HydrophobicContact CD1-CE2 4.1Å; P662-Y782 WeakPolarHBondContact O-CE1 3.15Å; P662-Y782 PolarHBondContact O-OH 2.99Å; L665-Y782 HydrophobicContact CB-CD1 3.87Å; L665-Y782 HydrophobicContact CB-CE1 3.65Å; L665-Y782 HydrophobicContact CD2-CD1 4.38Å; L665-Y782 HydrophobicContact CD2-CD2 4.25Å; L665-Y782 HydrophobicContact CD2-CE1 4.43Å; L665-Y782 HydrophobicContact CD2-CE2 4.27Å; L665-Y782 HydrophobicContact CD2-CG 4.3Å; H727-Y782 VanDerWaalsContact C-CD1 3.46Å; H727-Y782 CarbonylContact O-C 3.53Å; H727-Y782 VanDerWaalsContact O-CA 3.29Å; H727-Y782 WeakPolarHBondContact O-CA 3.14Å; L728-Y782 HydrophobicContact CB-CD1 4.16Å; L728-Y782 HydrophobicContact CB-CE1 3.68Å; L728-Y782 HydrophobicContact CD1-CD1 4.41Å; L728-Y782 HydrophobicContact CD1-CD2 4.02Å; L728-Y782 HydrophobicContact CD1-CE1 3.96Å; L728-Y782 HydrophobicContact CD1-CE2 3.54Å; L728-Y782 HydrophobicContact CD1-CG 4.43Å; L728-Y782 VanDerWaalsContact CD1-CZ 3.49Å; L728-Y782 HydrophobicContact CG-CE1 4.43Å; L780-Y782 HydrophobicContact CB-CD2 4.15Å; L780-Y782 HydrophobicContact CB-CE2 3.89Å; L780-Y782 HydrophobicContact CD2-CE2 4.04Å
783	S	93.7	Very high	79.2	Confident	13 Å²	13	45.8 Å²	45.8	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.8	175.8	-66.2	0	0	0	0	110.5	Y726 H727 T729 L785	Y726-S783 CarbonylContact C-O 3.52Å; Y726-S783 VanDerWaalsContact CA-O 3.28Å; Y726-S783 WeakPolarHBondContact CA-O 3.46Å; Y726-S783 VanDerWaalsContact CD1-C 3.45Å; H727-S783 VanDerWaalsContact CE1-CB 3.46Å; H727-S783 WeakPolarHBondContact CE1-CB 3.45Å; H727-S783 PolarHBondContact N-O 2.82Å; H727-S783 PolarHBondContact ND1-O 3.32Å; H727-S783 PolarHBondContact O-N 2.99Å; T729-S783 PolarHBondContact OG1-OG 2.53Å; S783-L785 PolarHBondContact O-N 3.35Å
784	E	91.9	Very high	77.5	Confident	52 Å²	52	47.7 Å²	47.7	24%	0.243	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	132.8	176.5	-176.3	-170.8	177.9	0	0	110.6	R636 Y726 M786	R636-E784 PolarHBondContact O-N 3.46Å; Y726-E784 HydrophobicContact CD1-CB 4.38Å; Y726-E784 HydrophobicContact CE1-CB 3.92Å; E784-M786 PolarHBondContact O-N 3.01Å
785	L	84.7	Confident	75.5	Confident	7 Å²	7	44.6 Å²	44.6	4%	0.037	22%	0.216	C	C	.	.			trans	-76.1	103	171.6	-74	173.1	0	0	0	109.1	I664 L725 H727 S783 F791	I664-L785 HydrophobicContact CD1-CD1 4.16Å; I664-L785 HydrophobicContact CG2-CD1 4.19Å; L725-L785 HydrophobicContact CB-CB 4.36Å; L725-L785 HydrophobicContact CB-CD1 3.74Å; L725-L785 HydrophobicContact CB-CG 4.47Å; L725-L785 WeakPolarHBondContact O-CB 3.37Å; L725-L785 PolarHBondContact O-N 3.27Å; H727-L785 HydrophobicContact CB-CD2 3.88Å; H727-L785 HydrophobicContact CB-CG 4.27Å; S783-L785 PolarHBondContact O-N 3.35Å; L785-F791 HydrophobicContact CD1-CE1 4.27Å
786	M	67.1	Low	73.6	Confident	82 Å²	82	49.3 Å²	49.3	40%	0.404	23%	0.232	S	C	.	.			trans	-70.5	140.7	179.3	-65	-162.6	74.2	0	0	110.9	R636 E784 R788 T789	R636-M786 PolarHBondContact NH2-SD 3.18Å; R636-M786 VanDerWaalsContact NH2-SD 3.41Å; E784-M786 PolarHBondContact O-N 3.01Å; M786-R788 PolarHBondContact O-N 2.95Å; M786-T789 HydrophobicContact CB-CG2 4.09Å; M786-T789 PolarHBondContact N-OG1 3.31Å; M786-T789 PolarHBondContact O-N 2.89Å; M786-T789 VanDerWaalsContact O-N 3.11Å; M786-T789 PolarHBondContact O-OG1 3.29Å
787	P	51	Low	71.7	Confident	83 Å²	83	52.1 Å²	52.1	54%	0.539	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.4	178.9	-24.5	32.2	0	0	0	115	L722	L722-P787 HydrophobicContact CB-CG 4.41Å; L722-P787 HydrophobicContact CD1-CB 4.21Å
788	R	44.2	Very low	69.6	Low	240 Å²	240	55.1 Å²	55.1	91%	0.906	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-1.5	-177.5	-61.5	-170.6	-176.8	-179.1	1.4	114	M786	M786-R788 PolarHBondContact O-N 2.95Å
789	T	49.9	Very low	67.2	Low	67 Å²	67	57.8 Å²	57.8	41%	0.411	28%	0.283	S	S	.	.	S	Bend	trans	-89.1	128.1	174	44.5	0	0	0	0	108.8	M786 F791	M786-T789 HydrophobicContact CB-CG2 4.09Å; M786-T789 PolarHBondContact N-OG1 3.31Å; M786-T789 PolarHBondContact O-N 2.89Å; M786-T789 VanDerWaalsContact O-N 3.11Å; M786-T789 PolarHBondContact O-OG1 3.29Å; T789-F791 PolarHBondContact O-N 2.96Å
790	P	50.8	Low	64.9	Low	81 Å²	81	60.3 Å²	60.3	53%	0.526	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-51.3	134.9	167.1	22	-30	0	0	0	108.3
791	F	55.1	Low	62.3	Low	19 Å²	19	63.4 Å²	63.4	8%	0.083	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-49.6	141.5	167.9	-77.4	-79.6	0	0	0	108.3	F711 L713 L722 L785 T789 K793 Y795 R796	F711-F791 HydrophobicContact CD1-CD2 4.01Å; F711-F791 HydrophobicContact CD1-CE2 4.17Å; L713-F791 HydrophobicContact CD2-CE1 4.48Å; L713-F791 HydrophobicContact CD2-CZ 3.81Å; L713-F791 HydrophobicContact CG-CE2 4.48Å; L713-F791 HydrophobicContact CG-CZ 3.93Å; L722-F791 HydrophobicContact CD2-CZ 4.13Å; L785-F791 HydrophobicContact CD1-CE1 4.27Å; T789-F791 PolarHBondContact O-N 2.96Å; F791-K793 PolarHBondContact O-N 3.06Å; F791-Y795 HydrophobicContact CB-CD1 3.71Å; F791-Y795 HydrophobicContact CB-CE1 4.45Å; F791-Y795 HydrophobicContact CB-CG 4.41Å; F791-Y795 AromaticContact CD1-CD1 3.38Å; F791-Y795 HydrophobicContact CD1-CD1 3.38Å; F791-Y795 AromaticContact CD1-CE1 3.35Å; F791-Y795 HydrophobicContact CD1-CE1 3.35Å; F791-Y795 HydrophobicContact CD1-CG 4.2Å; F791-Y795 HydrophobicContact CD2-CD1 4.34Å; F791-Y795 HydrophobicContact CD2-CE1 4.33Å; F791-Y795 HydrophobicContact CE1-CD1 4.05Å; F791-Y795 AromaticContact CE1-CE1 3.5Å; F791-Y795 HydrophobicContact CE1-CE1 3.5Å; F791-Y795 HydrophobicContact CE2-CE1 4.45Å; F791-Y795 AromaticContact CG-CD1 3.56Å; F791-Y795 HydrophobicContact CG-CD1 3.56Å; F791-Y795 AromaticContact CG-CE1 3.81Å; F791-Y795 HydrophobicContact CG-CE1 3.81Å; F791-Y795 HydrophobicContact CZ-CE1 4.07Å; F791-R796 HydrophobicContact CB-CG 4.34Å; F791-R796 PolarHBondContact O-NE 3.18Å
792	P	56.7	Low	59.7	Low	11 Å²	11	68.5 Å²	68.5	7%	0.071	36%	0.356	C	S	.	.			trans	-33.4	133.3	166.4	-39.6	42.1	0	0	0	112.6	E754 W794 Y795 R796	E754-P792 VanDerWaalsContact OE1-CA 3.25Å; E754-P792 WeakPolarHBondContact OE1-CA 3.39Å; E754-P792 WeakPolarHBondContact OE1-CB 3.06Å; E754-P792 WeakPolarHBondContact OE2-CA 3.33Å; P792-W794 HydrophobicContact CB-CD2 4.08Å; P792-W794 HydrophobicContact CB-CG 4.22Å; P792-W794 HydrophobicContact CB-CZ2 3.63Å; P792-W794 HydrophobicContact CG-CZ2 3.87Å; P792-W794 PolarHBondContact O-N 2.98Å; P792-Y795 WeakPolarHBondContact O-CB 3.15Å; P792-Y795 PolarHBondContact O-N 3.25Å; P792-R796 PolarHBondContact O-N 2.72Å
793	K	54.8	Low	56.8	Low	140 Å²	140	71.6 Å²	71.6	61%	0.609	38%	0.378	S	S	*	.	H	α-helix	trans	-53.7	-41.3	-176.8	-79.1	179.6	177.4	176.5	0	111.1	E754 F791 Y795 R796 D797	E754-K793 PolarHBondContact OE2-N 3.31Å; F791-K793 PolarHBondContact O-N 3.06Å; K793-Y795 VanDerWaalsContact C-N 3.28Å; K793-Y795 PolarHBondContact O-N 3.4Å; K793-R796 WeakPolarHBondContact O-CB 3.1Å; K793-R796 PolarHBondContact O-N 3.5Å; K793-R796 VanDerWaalsContact O-N 3.16Å; K793-D797 VanDerWaalsContact O-CG 3.23Å; K793-D797 PolarHBondContact O-N 3.32Å
794	W	57.2	Low	54	Low	71 Å²	71	74.9 Å²	74.9	27%	0.269	40%	0.401	S	S	.	.	H	α-helix	trans	-64.5	-27.9	177.9	64.5	-100.6	0	0	0	113.7	L663 I664 E754 P792 D797 S798	L663-W794 HydrophobicContact CB-CH2 4.45Å; L663-W794 HydrophobicContact CD1-CH2 4.31Å; L663-W794 HydrophobicContact CD1-CZ2 4.08Å; L663-W794 HydrophobicContact CD2-CD2 4.26Å; L663-W794 HydrophobicContact CD2-CE3 3.91Å; L663-W794 HydrophobicContact CD2-CH2 3.07Å; L663-W794 HydrophobicContact CD2-CZ2 3.4Å; L663-W794 HydrophobicContact CD2-CZ3 3.31Å; L663-W794 HydrophobicContact CG-CH2 3.38Å; L663-W794 HydrophobicContact CG-CZ2 3.65Å; L663-W794 HydrophobicContact CG-CZ3 4.1Å; I664-W794 HydrophobicContact CD1-CH2 4.23Å; E754-W794 PolarHBondContact OE1-NE1 3Å; P792-W794 HydrophobicContact CB-CD2 4.08Å; P792-W794 HydrophobicContact CB-CG 4.22Å; P792-W794 HydrophobicContact CB-CZ2 3.63Å; P792-W794 HydrophobicContact CG-CZ2 3.87Å; P792-W794 PolarHBondContact O-N 2.98Å; W794-D797 PolarHBondContact O-N 3.23Å; W794-S798 VanDerWaalsContact O-CB 3.28Å; W794-S798 WeakPolarHBondContact O-CB 3.47Å; W794-S798 PolarHBondContact O-N 3.11Å
795	Y	52.8	Low	51	Low	15 Å²	15	82.7 Å²	82.7	6%	0.059	43%	0.43	C	S	.	.	H	α-helix	trans	-70.7	-40.6	176.6	-175.1	-104.5	0	0	0	110	I664 P714 F791 P792 K793 D797 S798 I799	I664-Y795 HydrophobicContact CG1-CD2 4.48Å; I664-Y795 HydrophobicContact CG1-CE2 4.1Å; P714-Y795 VanDerWaalsContact CD-CZ 3.49Å; P714-Y795 WeakPolarHBondContact CD-OH 3.25Å; P714-Y795 HydrophobicContact CG-CE1 3.86Å; P714-Y795 HydrophobicContact CG-CE2 4.17Å; P714-Y795 WeakPolarHBondContact CG-OH 3.45Å; F791-Y795 HydrophobicContact CB-CD1 3.71Å; F791-Y795 HydrophobicContact CB-CE1 4.45Å; F791-Y795 HydrophobicContact CB-CG 4.41Å; F791-Y795 AromaticContact CD1-CD1 3.38Å; F791-Y795 HydrophobicContact CD1-CD1 3.38Å; F791-Y795 AromaticContact CD1-CE1 3.35Å; F791-Y795 HydrophobicContact CD1-CE1 3.35Å; F791-Y795 HydrophobicContact CD1-CG 4.2Å; F791-Y795 HydrophobicContact CD2-CD1 4.34Å; F791-Y795 HydrophobicContact CD2-CE1 4.33Å; F791-Y795 HydrophobicContact CE1-CD1 4.05Å; F791-Y795 AromaticContact CE1-CE1 3.5Å; F791-Y795 HydrophobicContact CE1-CE1 3.5Å; F791-Y795 HydrophobicContact CE2-CE1 4.45Å; F791-Y795 AromaticContact CG-CD1 3.56Å; F791-Y795 HydrophobicContact CG-CD1 3.56Å; F791-Y795 AromaticContact CG-CE1 3.81Å; F791-Y795 HydrophobicContact CG-CE1 3.81Å; F791-Y795 HydrophobicContact CZ-CE1 4.07Å; P792-Y795 WeakPolarHBondContact O-CB 3.15Å; P792-Y795 PolarHBondContact O-N 3.25Å; K793-Y795 VanDerWaalsContact C-N 3.28Å; K793-Y795 PolarHBondContact O-N 3.4Å; Y795-D797 VanDerWaalsContact C-N 3.34Å; Y795-S798 PolarHBondContact O-N 3.07Å; Y795-I799 HydrophobicContact CD1-CD1 3.63Å; Y795-I799 HydrophobicContact CE1-CD1 3.52Å; Y795-I799 HydrophobicContact CG-CD1 4.35Å; Y795-I799 WeakPolarHBondContact O-CD1 3.42Å; Y795-I799 VanDerWaalsContact O-CG1 3.27Å; Y795-I799 WeakPolarHBondContact O-CG1 3.38Å; Y795-I799 PolarHBondContact O-N 3.49Å
796	R	53.5	Low	48.4	Very low	108 Å²	108	86.9 Å²	86.9	41%	0.408	46%	0.46	S	S	.	.	H	α-helix	trans	-62.3	-42.3	170.6	-69.4	-173.8	-82.2	165	-5.2	111.4	F791 P792 K793 I799 A800	F791-R796 HydrophobicContact CB-CG 4.34Å; F791-R796 PolarHBondContact O-NE 3.18Å; P792-R796 PolarHBondContact O-N 2.72Å; K793-R796 WeakPolarHBondContact O-CB 3.1Å; K793-R796 PolarHBondContact O-N 3.5Å; K793-R796 VanDerWaalsContact O-N 3.16Å; R796-I799 PolarHBondContact O-N 2.9Å; R796-A800 WeakPolarHBondContact O-CB 3.45Å; R796-A800 PolarHBondContact O-N 3.06Å
797	D	53.8	Low	46.4	Very low	105 Å²	105	88.6 Å²	88.6	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-66.8	-38.7	178.1	-60.5	-28.7	0	0	0	112.4	K793 W794 Y795 A800 S801	K793-D797 VanDerWaalsContact O-CG 3.23Å; K793-D797 PolarHBondContact O-N 3.32Å; W794-D797 PolarHBondContact O-N 3.23Å; Y795-D797 VanDerWaalsContact C-N 3.34Å; D797-A800 PolarHBondContact O-N 3.34Å; D797-S801 WeakPolarHBondContact O-CB 3.33Å; D797-S801 PolarHBondContact O-N 3.43Å
798	S	53.7	Low	45.2	Very low	62 Å²	62	90.4 Å²	90.4	43%	0.434	49%	0.485	S	S	.	.	H	α-helix	trans	-62.8	-47.2	175.8	-173.5	0	0	0	0	111	W794 Y795 A800 S801 V802	W794-S798 VanDerWaalsContact O-CB 3.28Å; W794-S798 WeakPolarHBondContact O-CB 3.47Å; W794-S798 PolarHBondContact O-N 3.11Å; Y795-S798 PolarHBondContact O-N 3.07Å; S798-A800 PolarHBondContact O-N 3.45Å; S798-S801 PolarHBondContact O-N 3.06Å; S798-S801 PolarHBondContact O-OG 3.08Å; S798-V802 WeakPolarHBondContact O-CG2 3.45Å; S798-V802 PolarHBondContact O-N 3.31Å
799	I	48.2	Very low	44.4	Very low	58 Å²	58	84.2 Å²	84.2	30%	0.297	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-42.7	175.3	-63.4	164.2	0	0	0	111.1	P714 Y795 R796 S801 V802 S803	P714-I799 HydrophobicContact CG-CD1 3.63Å; P714-I799 HydrophobicContact CG-CG1 4.06Å; Y795-I799 HydrophobicContact CD1-CD1 3.63Å; Y795-I799 HydrophobicContact CE1-CD1 3.52Å; Y795-I799 HydrophobicContact CG-CD1 4.35Å; Y795-I799 WeakPolarHBondContact O-CD1 3.42Å; Y795-I799 VanDerWaalsContact O-CG1 3.27Å; Y795-I799 WeakPolarHBondContact O-CG1 3.38Å; Y795-I799 PolarHBondContact O-N 3.49Å; R796-I799 PolarHBondContact O-N 2.9Å; I799-S801 VanDerWaalsContact C-N 3.3Å; I799-S801 PolarHBondContact O-N 3.26Å; I799-V802 PolarHBondContact O-N 3.22Å; I799-S803 WeakPolarHBondContact O-CB 3.49Å; I799-S803 PolarHBondContact O-N 3.41Å; I799-S803 PolarHBondContact O-OG 3.42Å
800	A	48.4	Very low	43.3	Very low	52 Å²	52	91.3 Å²	91.3	43%	0.43	50%	0.497	S	S	.	.	H	α-helix	trans	-59.5	-41.8	177.7	0	0	0	0	0	111.6	R796 D797 S798 V802 S803 S804	R796-A800 WeakPolarHBondContact O-CB 3.45Å; R796-A800 PolarHBondContact O-N 3.06Å; D797-A800 PolarHBondContact O-N 3.34Å; S798-A800 PolarHBondContact O-N 3.45Å; A800-V802 VanDerWaalsContact C-N 3.33Å; A800-V802 PolarHBondContact O-N 3.22Å; A800-S803 WeakPolarHBondContact CA-OG 3.46Å; A800-S803 PolarHBondContact O-N 2.84Å; A800-S803 PolarHBondContact O-OG 3.24Å; A800-S804 PolarHBondContact O-N 3.39Å
801	S	44.8	Very low	41.9	Very low	66 Å²	66	93 Å²	93	46%	0.462	51%	0.51	S	S	.	.	H	α-helix	trans	-67.8	-27.9	177.9	76.3	0	0	0	0	114.2	D797 S798 I799 S804	D797-S801 WeakPolarHBondContact O-CB 3.33Å; D797-S801 PolarHBondContact O-N 3.43Å; S798-S801 PolarHBondContact O-N 3.06Å; S798-S801 PolarHBondContact O-OG 3.08Å; I799-S801 VanDerWaalsContact C-N 3.3Å; I799-S801 PolarHBondContact O-N 3.26Å; S801-S804 PolarHBondContact O-OG 3.04Å
802	V	43.1	Very low	40.5	Very low	106 Å²	106	98 Å²	98	64%	0.642	54%	0.542	S	S	*	.	H	α-helix	trans	-79.7	-33.7	173.9	177.8	0	0	0	0	110.7	S798 I799 A800	S798-V802 WeakPolarHBondContact O-CG2 3.45Å; S798-V802 PolarHBondContact O-N 3.31Å; I799-V802 PolarHBondContact O-N 3.22Å; A800-V802 VanDerWaalsContact C-N 3.33Å; A800-V802 PolarHBondContact O-N 3.22Å
803	S	37.3	Very low	39	Very low	66 Å²	66	102.4 Å²	102.4	46%	0.462	57%	0.573	S	S	.	*	H	α-helix	trans	-73.2	-23.3	-179.4	71.4	0	0	0	0	114.7	I799 A800 Y805 S806	I799-S803 WeakPolarHBondContact O-CB 3.49Å; I799-S803 PolarHBondContact O-N 3.41Å; I799-S803 PolarHBondContact O-OG 3.42Å; A800-S803 WeakPolarHBondContact CA-OG 3.46Å; A800-S803 PolarHBondContact O-N 2.84Å; A800-S803 PolarHBondContact O-OG 3.24Å; S803-Y805 PolarHBondContact O-N 3.2Å; S803-S806 PolarHBondContact O-N 2.83Å
804	S	33.9	Very low	37.3	Very low	82 Å²	82	105 Å²	105	57%	0.573	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-5.9	-178	55.2	0	0	0	0	114.9	A800 S801	A800-S804 PolarHBondContact O-N 3.39Å; S801-S804 PolarHBondContact O-OG 3.04Å
805	Y	30.4	Very low	35.8	Very low	215 Å²	215	107.6 Å²	107.6	84%	0.843	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	6.3	175	-74.1	-75.8	0	0	0	114.6	S803	S803-Y805 PolarHBondContact O-N 3.2Å
806	S	29.7	Very low	34.3	Very low	95 Å²	95	115.9 Å²	115.9	66%	0.664	65%	0.653	S	S	*	*	S	Bend	trans	-131.5	60.9	175.4	69.8	0	0	0	0	112.2	S803	S803-S806 PolarHBondContact O-N 2.83Å
807	T	25.3	Very low	32.7	Very low	118 Å²	118	118 Å²	118	72%	0.724	67%	0.671	S	S	*	*			trans	-146.8	86.2	160.9	-19.2	0	0	0	0	110.9
808	T	25.4	Very low	31.3	Very low	121 Å²	121	121.3 Å²	121.3	74%	0.742	69%	0.688	S	S	*	*			trans	-103.6	122.9	147.8	48.1	0	0	0	0	107.3	Y810	T808-Y810 PolarHBondContact O-N 3.43Å
809	P	28.1	Very low	29.7	Very low	111 Å²	111	126 Å²	126	72%	0.721	70%	0.701	S	S	*	*			trans	-82.6	111	-166.9	30.8	-27.4	0	0	0	109.6	S811	P809-S811 PolarHBondContact O-N 3.07Å
810	Y	25.5	Very low	28.4	Very low	216 Å²	216	129.9 Å²	129.9	85%	0.847	72%	0.722	S	S	*	*			trans	-87.6	98.8	161.4	-92.1	-85.7	0	0	0	108.5	T808 V812	T808-Y810 PolarHBondContact O-N 3.43Å; Y810-V812 PolarHBondContact O-N 3.18Å
811	S	21.7	Very low	27.1	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	74%	0.743	S	S	*	*			trans	-58.7	109.7	160.6	-47.8	0	0	0	0	109	P809	P809-S811 PolarHBondContact O-N 3.07Å
812	V	27	Very low	25.9	Very low	126 Å²	126	138 Å²	138	76%	0.764	76%	0.755	S	S	*	*			trans	-136.6	117.6	156.2	-175.6	0	0	0	0	107.9	Y810	Y810-V812 PolarHBondContact O-N 3.18Å
813	S	24.3	Very low	24.9	Very low	103 Å²	103	140.5 Å²	140.5	72%	0.72	77%	0.765	S	S	*	*			trans	-42.3	138	175.8	34.1	0	0	0	0	115.8
814	E	20.1	Very low	24.1	Very low	194 Å²	194	142.4 Å²	142.4	91%	0.907	78%	0.778	S	S	*	*			trans	-39.5	134	158.2	-87.8	169.3	132.5	0	0	113.3
815	P	24.5	Very low	24.4	Very low	126 Å²	126	143.7 Å²	143.7	82%	0.818	78%	0.784	S	S	*	*			trans	-108.5	129.9	147.5	8	12.1	0	0	0	110.5
816	E	22.5	Very low	23.9	Very low	189 Å²	189	138.5 Å²	138.5	88%	0.883	78%	0.78	S	S	*	*			trans	-58.4	137	179.6	-72.8	172.7	127.4	0	0	114.4	L818	E816-L818 PolarHBondContact O-N 3.12Å
817	L	19.2	Very low	23.5	Very low	151 Å²	151	139.4 Å²	139.4	79%	0.791	79%	0.785	S	S	*	*			trans	-2.2	109.3	142.5	-122.7	88.6	0	0	0	116.9
818	L	23.5	Very low	23.4	Very low	176 Å²	176	138.7 Å²	138.7	92%	0.921	79%	0.785	S	S	*	*			trans	-121.2	117.6	150.8	-98.5	153.3	0	0	0	110.1	E816	E816-L818 PolarHBondContact O-N 3.12Å
819	K	20.5	Very low	23.2	Very low	161 Å²	161	139.9 Å²	139.9	70%	0.7	79%	0.786	S	S	*	*			trans	-69.4	151	-179.6	-77.6	168.4	170.9	170	0	112
820	N	20.3	Very low	22.8	Very low	139 Å²	139	141.6 Å²	141.6	74%	0.743	79%	0.789	S	S	*	*			trans	62.8	114.5	147.2	-57.7	-13.3	0	0	0	117
821	Q	22.2	Very low	22.6	Very low	186 Å²	186	142.1 Å²	142.1	87%	0.869	79%	0.79	S	S	*	*				-179.4	134.6	90.6	-91.2	178.3	9.8	0	0	110.4
822	S	18.6	Very low	22.5	Very low	102 Å²	102	144.7 Å²	144.7	71%	0.713	79%	0.789	S	S	*	*			trans	-51.7	133.3	162	46.4	0	0	0	0	112.9
823	N	22.9	Very low	22.3	Very low	159 Å²	159	145.6 Å²	145.6	85%	0.85	79%	0.79	S	S	*	*			trans	-163	124.5	138.8	-93.4	-21.2	0	0	0	110.1
824	S	21.6	Very low	22.3	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	79%	0.789	S	S	*	*			trans	-59.3	-175.2	161.5	50.7	0	0	0	0	112.9
825	P	40.1	Very low	22.3	Very low	109 Å²	109	142.6 Å²	142.6	71%	0.708	78%	0.784	S	S	*	*			cis	-128.1	-169.8	-45.7	33.3	-14.8	0	0	0	111.1
826	S	19.5	Very low	22.3	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	79%	0.785	S	S	*	*			trans	107.3	140.5	145.2	78.8	0	0	0	0	119.1
827	C	21	Very low	22.2	Very low	114 Å²	114	143.2 Å²	143.2	77%	0.77	78%	0.777	S	S	*	*			trans	96.3	105.7	155.7	-77.1	0	0	0	0	120.3
828	S	23.3	Very low	22.6	Very low	103 Å²	103	146 Å²	146	72%	0.72	78%	0.784	S	S	*	*				96.1	100.3	115.1	-53.7	0	0	0	0	119.4
829	N	20.4	Very low	22.5	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	78%	0.777	S	S	*	*				30.1	121.7	117.4	-79	-13.3	0	0	0	120.4
830	N	19.4	Very low	22.7	Very low	146 Å²	146	145.8 Å²	145.8	78%	0.781	79%	0.786	S	S	*	*				47.2	113.2	124.7	-70.1	-15.2	0	0	0	119.6
831	R	22.1	Very low	22.8	Very low	228 Å²	228	145.6 Å²	145.6	86%	0.86	78%	0.784	S	S	*	*				171.7	116.7	117.6	-96.1	168.9	165.6	175.6	-3.4	107.9
832	E	20	Very low	22.9	Very low	168 Å²	168	142.3 Å²	142.3	79%	0.785	78%	0.779	S	S	*	*				41.4	105.3	99	-74.4	-175.3	160.7	0	0	113.4
833	N	23	Very low	23.1	Very low	146 Å²	146	142.1 Å²	142.1	78%	0.781	77%	0.773	S	S	*	*				-178.2	136.4	120.3	-100.9	-29.4	0	0	0	114.5
834	T	23.8	Very low	23.3	Very low	115 Å²	115	143.1 Å²	143.1	71%	0.706	78%	0.778	S	S	*	*			trans	71.1	108.5	138.6	53.8	0	0	0	0	121.4
835	C	19.6	Very low	23.5	Very low	118 Å²	118	146.2 Å²	146.2	80%	0.797	78%	0.781	S	S	*	*				26.1	122.7	115.7	-61.4	0	0	0	0	118.8
836	K	25.6	Very low	22.6	Very low	192 Å²	192	149.9 Å²	149.9	84%	0.835	79%	0.788	S	S	*	*			trans	-167.8	113.3	131.6	-99.8	157.3	-172	-177.5	0	109.2
837	N	20.9	Very low	22.9	Very low	137 Å²	137	154.8 Å²	154.8	73%	0.733	80%	0.796	S	S	*	*				54.4	112.7	113.3	-76.4	-14.3	0	0	0	115.3
838	F	26.4	Very low	23	Very low	210 Å²	210	157.5 Å²	157.5	92%	0.921	80%	0.798	S	S	*	*				-148.7	114.4	123.4	-105.6	-80.2	0	0	0	109.3
839	Q	20.8	Very low	23.1	Very low	167 Å²	167	157.5 Å²	157.5	78%	0.78	80%	0.798	S	S	*	*			trans	-62.7	140.5	157.8	-71.6	162.2	-64.6	0	0	108.2
840	D	26.4	Very low	23.5	Very low	165 Å²	165	159.8 Å²	159.8	88%	0.882	80%	0.801	S	S	*	*				-167.7	132.2	123.6	-91.7	-27.3	0	0	0	110.6
841	N	20.7	Very low	23.7	Very low	134 Å²	134	159.3 Å²	159.3	72%	0.717	80%	0.803	S	S	*	*			trans	-119.8	138.7	176.5	-161.8	-1.6	0	0	0	104.9	V843	N841-V843 PolarHBondContact OD1-N 3.28Å
842	P	26	Very low	24.1	Very low	117 Å²	117	159 Å²	159	76%	0.76	80%	0.804	S	S	*	*				-144.9	123.9	114.3	31.1	-13.5	0	0	0	113.9
843	V	22.8	Very low	24.3	Very low	98 Å²	98	156 Å²	156	59%	0.594	80%	0.801	S	S	*	*				28.7	109.3	116.8	-173.2	0	0	0	0	116.4	N841 Q845	N841-V843 PolarHBondContact OD1-N 3.28Å; V843-Q845 HydrophobicContact CG1-CG 3.99Å
844	L	27	Very low	24.3	Very low	181 Å²	181	155.1 Å²	155.1	95%	0.948	80%	0.801	S	S	*	*			trans	-119.3	119	144.4	-86.8	170.8	0	0	0	108.9
845	Q	24.1	Very low	24.5	Very low	169 Å²	169	161.1 Å²	161.1	79%	0.79	81%	0.811	S	S	*	*			trans	-66.5	148.2	-173.7	-75.7	167.5	-28.5	0	0	113.6	V843	V843-Q845 HydrophobicContact CG1-CG 3.99Å
846	E	22	Very low	25.1	Very low	186 Å²	186	164.7 Å²	164.7	87%	0.869	84%	0.837	S	S	*	*			trans	-45.3	131.2	158.7	-65.9	169.5	143.2	0	0	111.8
847	K	26	Very low	25	Very low	210 Å²	210	163.4 Å²	163.4	91%	0.913	84%	0.838	S	S	*	*			trans	-111.1	107	158.9	-90.9	-176.7	176.3	174.9	0	108.8
848	E	23.9	Very low	25.2	Very low	171 Å²	171	164.7 Å²	164.7	80%	0.799	84%	0.843	S	S	*	*			trans	-50	142.8	167.1	-68.7	179.4	137.4	0	0	113.6
849	S	24.4	Very low	25.2	Very low	104 Å²	104	162.2 Å²	162.2	73%	0.727	84%	0.839	S	S	*	*				50.3	101	127.5	-44.8	0	0	0	0	118.6
850	K	27.7	Very low	25.4	Very low	193 Å²	193	161.9 Å²	161.9	84%	0.839	84%	0.842	S	S	*	*			trans	-128.2	101.7	145.7	-80	-171.6	178	-179.9	0	110.9
851	T	25.1	Very low	25.4	Very low	136 Å²	136	161.8 Å²	161.8	83%	0.834	84%	0.84	S	S	*	*			trans	-50.3	132.9	153.9	29.7	0	0	0	0	110.8
852	Y	29.3	Very low	25.7	Very low	223 Å²	223	163.6 Å²	163.6	88%	0.875	85%	0.848	S	S	*	*			trans	-127.1	123.4	156.2	-101.6	-83.7	0	0	0	110
853	S	24.2	Very low	25.7	Very low	104 Å²	104	166.9 Å²	166.9	73%	0.727	85%	0.854	S	S	*	*			trans	-70.2	155.2	-176.7	-173.1	0	0	0	0	112.9
854	T	24.7	Very low	25.9	Very low	128 Å²	128	172.2 Å²	172.2	79%	0.785	87%	0.874	S	S	*	*			trans	-40	144.8	162.1	44.7	0	0	0	0	115.6
855	R	27	Very low	25.8	Very low	241 Å²	241	171.5 Å²	171.5	91%	0.909	87%	0.868	S	S	*	*			trans	-149.7	116.3	147.8	-125.1	-179.8	-177.1	-178	0.5	110.1
856	S	31.1	Very low	25.9	Very low	193 Å²	193	171.7 Å²	171.7	100%	1.35	88%	0.875	S	S	*	*			trans	38.2	0	167.3	66.1	0	0	0	0	118.5

Retrieved 856 of 856 residues in 787.1 ms (Link to these results)

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