A0A087YSH4_POEFO Loading...

Leucine rich repeat containing 8 VRAC subunit Db

AlphaFold DB , UniProt , Accession A0A087YSH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 851 aa.

						>A0A087YSH4_POEFO|A0A087YSH4
MFTLTEVASLNDIQPTYRILKPWWDVFMDYLGIVMLMLAIFSGTMQLTKDQVVCLPILEQAQDGSGGFLETHTPEPSDGFWNKENAIGEQAAPLMSKRPPKGIVPSNPFPQSSAFMQPPPKGVRTKLDFQQYVFVNQMCYHVALPWYSKYFPYLALIHTIVLMVSSNFWFKYPKTSSKVEHFVSILGKCFESPWTTKALSETACEDSEENKQRLAGASTLLKHLSTSSEEGSPNQSAPVGNKSGVAFSAEKLVSEVPSMTILDKKDGEQAKALFEKVRKFRAHVEDSDLIYRLYAIQTVIKTVKFILILCYTMTFVASIDFDHVCEPEIKHLTGYSKFHCTHNMAFMLKKLLVCYIALICVYGIICIYTLFWLFRRPLKEYSFEKVREESSFSDIPDVKNDFAFLLHMVDQYDLLYSKRFGVFLSEVSENKLREISLNHEWTFEKLRQHLTRNPQDKLELHLFMLSGVPDAVFDLTDLEILKLELIPEAKITAKISQMINLQELHFYHCPAKVEQTAFIFLCDHLRCLHVKFTDVAEIPSWVYLLKNLRELYLVGNLNSENNKLIGLESLRDLRHLKILHLKSNLTKIPTNITDLSPHLVRLVIHNDGTKLLVLNTLKKMINLAELELHNCELERIPHAIFSLNNLQELDLKSNNIRTIEEVISFQHLKRLTCLKLWYNKIINIPLSISHVKNLESLYLSHNKLESLPSPLFTLLKLRYLDLSHNSVAVIPPEVGFLQNLQHFAITGNKVEVVPKQLFKCVKLRTLCLGHNCITSIPEKIGHLSQLTHLELKGNCLDRLPVQLGHCSLLNRSCLLVEDHLFDSLPIEVKESINQEASVSFPNGCKCLMEGR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.3	Low	67.7	Low	174 Å²	174	78.1 Å²	78.1	86%	0.857	42%	0.424	S	S	*	.				0	112.4	0	-176.5	177.8	-175.5	0	0	105.7	T44	M1-T44 HydrophobicContact CE-CG2 3.6Å; M1-T44 WeakPolarHBondContact CE-OG1 3.02Å
2	F	66.1	Low	67.4	Low	136 Å²	136	81.3 Å²	81.3	60%	0.596	44%	0.44	S	S	*	.			trans	-70.8	140.2	-171.2	-57	-72.9	0	0	0	111.3	E6 V7	F2-E6 WeakPolarHBondContact CA-OE2 3.1Å; F2-V7 HydrophobicContact CB-CG2 3.86Å; F2-V7 HydrophobicContact CG-CG2 4.38Å
3	T	70.3	Confident	67.3	Low	61 Å²	61	78.1 Å²	78.1	37%	0.374	42%	0.422	S	S	.	.			trans	-77.9	151.7	168.8	65.9	0	0	0	0	110.7	T5 E6 V7	T3-T5 WeakPolarHBondContact CB-OG1 3.43Å; T3-T5 PolarHBondContact O-N 2.95Å; T3-T5 PolarHBondContact OG1-OG1 3.29Å; T3-E6 VanDerWaalsContact CB-OE1 3.3Å; T3-E6 WeakPolarHBondContact CB-OE1 3.41Å; T3-E6 WeakPolarHBondContact CG2-OE1 3.46Å; T3-E6 PolarHBondContact N-OE1 2.77Å; T3-E6 PolarHBondContact N-OE2 3.06Å; T3-E6 VanDerWaalsContact N-OE2 3.07Å; T3-E6 PolarHBondContact O-N 3.05Å; T3-E6 VanDerWaalsContact OG1-CG 3.3Å; T3-E6 WeakPolarHBondContact OG1-CG 3.25Å; T3-E6 PolarHBondContact OG1-N 2.66Å; T3-E6 PolarHBondContact OG1-OE1 2.92Å; T3-V7 PolarHBondContact O-N 3.23Å
4	L	70.8	Confident	67.2	Low	65 Å²	65	80.1 Å²	80.1	34%	0.34	43%	0.428	S	S	.	.	H	α-helix	trans	-57.7	-35.2	174	-176.7	66.4	0	0	0	111.2	V7 A8 L36 M37 I40	L4-V7 PolarHBondContact O-N 3.41Å; L4-A8 WeakPolarHBondContact O-CB 3.44Å; L4-A8 PolarHBondContact O-N 3.34Å; L4-L36 HydrophobicContact CD1-CD2 3.9Å; L4-L36 HydrophobicContact CD1-CG 3.93Å; L4-M37 HydrophobicContact CD1-CG 3.74Å; L4-M37 HydrophobicContact CD2-CE 4.49Å; L4-M37 HydrophobicContact CD2-CG 3.66Å; L4-M37 HydrophobicContact CD2-SD 4.08Å; L4-M37 HydrophobicContact CG-CG 4.38Å; L4-I40 HydrophobicContact CD1-CD1 4.03Å
5	T	70.3	Confident	67.1	Low	110 Å²	110	80.9 Å²	80.9	68%	0.675	44%	0.439	S	S	*	.	H	α-helix	trans	-62.8	-43.4	176.3	30.2	0	0	0	0	113.7	T3 S9	T3-T5 WeakPolarHBondContact CB-OG1 3.43Å; T3-T5 PolarHBondContact O-N 2.95Å; T3-T5 PolarHBondContact OG1-OG1 3.29Å; T5-S9 PolarHBondContact O-N 3.22Å
6	E	70.9	Confident	67.1	Low	94 Å²	94	80.3 Å²	80.3	44%	0.439	44%	0.439	S	S	.	.	H	α-helix	trans	-58.6	-50.7	175.1	-76.4	144.7	-131	0	0	111.1	F2 T3 S9	F2-E6 WeakPolarHBondContact CA-OE2 3.1Å; T3-E6 VanDerWaalsContact CB-OE1 3.3Å; T3-E6 WeakPolarHBondContact CB-OE1 3.41Å; T3-E6 WeakPolarHBondContact CG2-OE1 3.46Å; T3-E6 PolarHBondContact N-OE1 2.77Å; T3-E6 PolarHBondContact N-OE2 3.06Å; T3-E6 VanDerWaalsContact N-OE2 3.07Å; T3-E6 PolarHBondContact O-N 3.05Å; T3-E6 VanDerWaalsContact OG1-CG 3.3Å; T3-E6 WeakPolarHBondContact OG1-CG 3.25Å; T3-E6 PolarHBondContact OG1-N 2.66Å; T3-E6 PolarHBondContact OG1-OE1 2.92Å; E6-S9 WeakPolarHBondContact O-CB 3.47Å; E6-S9 PolarHBondContact O-N 3.23Å; E6-S9 PolarHBondContact O-OG 3.42Å
7	V	69	Low	67.8	Low	12 Å²	12	76.7 Å²	76.7	7%	0.073	42%	0.417	C	S	.	.	H	α-helix	trans	-77.4	-32	-173.1	-171.1	0	0	0	0	111.9	F2 T3 L4 S9 L10 L36 I160	F2-V7 HydrophobicContact CB-CG2 3.86Å; F2-V7 HydrophobicContact CG-CG2 4.38Å; T3-V7 PolarHBondContact O-N 3.23Å; L4-V7 PolarHBondContact O-N 3.41Å; V7-S9 VanDerWaalsContact C-N 3.26Å; V7-S9 PolarHBondContact O-N 3.31Å; V7-L10 HydrophobicContact CG1-CD1 4.3Å; V7-L10 WeakPolarHBondContact O-CB 3.31Å; V7-L10 PolarHBondContact O-N 3.28Å; V7-L36 HydrophobicContact CB-CD1 4.37Å; V7-L36 HydrophobicContact CB-CD2 4.02Å; V7-L36 HydrophobicContact CG1-CD1 3.79Å; V7-L36 HydrophobicContact CG1-CD2 3.78Å; V7-L36 HydrophobicContact CG1-CG 4.44Å; V7-I160 HydrophobicContact CG1-CD1 4.04Å; V7-I160 HydrophobicContact CG1-CG1 3.89Å
8	A	68.3	Low	68.5	Low	32 Å²	32	81.9 Å²	81.9	26%	0.264	43%	0.43	S	S	.	.	H	α-helix	trans	-63.7	-29.9	174	0	0	0	0	0	112.8	L4 L10 N11	L4-A8 WeakPolarHBondContact O-CB 3.44Å; L4-A8 PolarHBondContact O-N 3.34Å; A8-L10 PolarHBondContact O-N 3.16Å; A8-L10 VanDerWaalsContact O-N 3.13Å; A8-N11 WeakPolarHBondContact O-CB 3.49Å; A8-N11 PolarHBondContact O-N 2.83Å
9	S	68.1	Low	69.3	Low	69 Å²	69	78.8 Å²	78.8	48%	0.483	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-58.7	-24.7	177.9	76	0	0	0	0	113.9	T5 E6 V7 N11 D12	T5-S9 PolarHBondContact O-N 3.22Å; E6-S9 WeakPolarHBondContact O-CB 3.47Å; E6-S9 PolarHBondContact O-N 3.23Å; E6-S9 PolarHBondContact O-OG 3.42Å; V7-S9 VanDerWaalsContact C-N 3.26Å; V7-S9 PolarHBondContact O-N 3.31Å; S9-N11 PolarHBondContact O-N 3Å; S9-D12 VanDerWaalsContact O-CB 3.31Å; S9-D12 WeakPolarHBondContact O-CB 3.47Å; S9-D12 PolarHBondContact O-N 3.25Å
10	L	65.3	Low	70.2	Confident	83 Å²	83	74.9 Å²	74.9	44%	0.435	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-63	-28.6	174.8	-60.1	175.3	0	0	0	112.2	V7 A8 I160 K171	V7-L10 HydrophobicContact CG1-CD1 4.3Å; V7-L10 WeakPolarHBondContact O-CB 3.31Å; V7-L10 PolarHBondContact O-N 3.28Å; A8-L10 PolarHBondContact O-N 3.16Å; A8-L10 VanDerWaalsContact O-N 3.13Å; L10-I160 HydrophobicContact CD1-CG2 4.43Å; L10-K171 PolarHBondContact O-NZ 3.33Å
11	N	68.6	Low	71.1	Confident	23 Å²	23	72.3 Å²	72.3	12%	0.123	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-87.1	-0.9	176.3	-158.3	35.1	0	0	0	113.3	A8 S9 M163 N167	A8-N11 WeakPolarHBondContact O-CB 3.49Å; A8-N11 PolarHBondContact O-N 2.83Å; S9-N11 PolarHBondContact O-N 3Å; N11-M163 HydrophobicContact CB-CE 3.77Å; N11-N167 PolarHBondContact OD1-ND2 2.9Å
12	D	64.3	Low	72.7	Confident	117 Å²	117	64 Å²	64	63%	0.626	34%	0.338	S	S	*	.			trans	-76.1	140.2	-179.4	-158.6	2.5	0	0	0	111.5	S9 K171	S9-D12 VanDerWaalsContact O-CB 3.31Å; S9-D12 WeakPolarHBondContact O-CB 3.47Å; S9-D12 PolarHBondContact O-N 3.25Å; D12-K171 WeakPolarHBondContact O-CE 3.49Å; D12-K171 PolarHBondContact O-NZ 3.13Å
13	I	65.8	Low	73.9	Confident	39 Å²	39	64.2 Å²	64.2	20%	0.2	33%	0.334	C	S	.	.			trans	-152.9	139.4	-165.8	-58.2	169.9	0	0	0	108.4	Y17 N167	I13-Y17 HydrophobicContact CG2-CD2 3.75Å; I13-Y17 HydrophobicContact CG2-CG 4.37Å; I13-N167 HydrophobicContact CD1-CB 4.33Å; I13-N167 WeakPolarHBondContact CD1-OD1 3.49Å
14	Q	66	Low	74.9	Confident	107 Å²	107	61.3 Å²	61.3	50%	0.5	32%	0.317	S	S	.	.			trans	-53.6	136.5	176.8	-63.2	176.8	-14	0	0	111.9	T16 Y17	Q14-T16 WeakPolarHBondContact CB-OG1 3.43Å; Q14-T16 PolarHBondContact O-N 3.07Å; Q14-T16 VanDerWaalsContact O-N 3.13Å; Q14-Y17 HydrophobicContact CB-CD2 3.86Å; Q14-Y17 HydrophobicContact CB-CE2 3.9Å; Q14-Y17 HydrophobicContact CG-CE2 4.2Å; Q14-Y17 PolarHBondContact O-N 3.1Å; Q14-Y17 VanDerWaalsContact O-N 3.11Å; Q14-Y17 PolarHBondContact OE1-OH 3.05Å
15	P	65	Low	75.8	Confident	92 Å²	92	58.4 Å²	58.4	60%	0.597	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-64.8	-21.6	-174.1	26.1	-35.2	0	0	0	113.5	Y17 R18	P15-Y17 VanDerWaalsContact C-N 3.28Å; P15-Y17 PolarHBondContact O-N 3.14Å; P15-R18 WeakPolarHBondContact O-CB 3.35Å; P15-R18 WeakPolarHBondContact O-CD 3.25Å; P15-R18 VanDerWaalsContact O-CG 3.25Å; P15-R18 WeakPolarHBondContact O-CG 3.46Å; P15-R18 PolarHBondContact O-N 3.09Å
16	T	67.8	Low	76.7	Confident	71 Å²	71	55.9 Å²	55.9	44%	0.436	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-57.7	-34.6	173.1	43.2	0	0	0	0	113.2	Q14 R18	Q14-T16 WeakPolarHBondContact CB-OG1 3.43Å; Q14-T16 PolarHBondContact O-N 3.07Å; Q14-T16 VanDerWaalsContact O-N 3.13Å; T16-R18 PolarHBondContact O-N 3.39Å
17	Y	79.6	Confident	77.7	Confident	19 Å²	19	56.2 Å²	56.2	8%	0.075	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-77.7	-1.1	-178.3	-59.7	-47.4	0	0	0	114.3	I13 Q14 P15 I19 L20 F170 V179 V183	I13-Y17 HydrophobicContact CG2-CD2 3.75Å; I13-Y17 HydrophobicContact CG2-CG 4.37Å; Q14-Y17 HydrophobicContact CB-CD2 3.86Å; Q14-Y17 HydrophobicContact CB-CE2 3.9Å; Q14-Y17 HydrophobicContact CG-CE2 4.2Å; Q14-Y17 PolarHBondContact O-N 3.1Å; Q14-Y17 VanDerWaalsContact O-N 3.11Å; Q14-Y17 PolarHBondContact OE1-OH 3.05Å; P15-Y17 VanDerWaalsContact C-N 3.28Å; P15-Y17 PolarHBondContact O-N 3.14Å; Y17-I19 PolarHBondContact O-N 3.07Å; Y17-L20 PolarHBondContact O-N 3.12Å; Y17-F170 HydrophobicContact CD2-CD1 4.44Å; Y17-F170 HydrophobicContact CG-CD1 4.13Å; Y17-F170 HydrophobicContact CG-CE1 4.22Å; Y17-V179 HydrophobicContact CD1-CG1 3.9Å; Y17-V179 HydrophobicContact CE1-CG1 3.85Å; Y17-V183 HydrophobicContact CD1-CG2 4.29Å
18	R	78.8	Confident	78.7	Confident	170 Å²	170	55.9 Å²	55.9	64%	0.642	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-61.1	-30.2	177.3	-70.9	176	179.3	-170.6	0.2	113.3	P15 T16 L20 K21	P15-R18 WeakPolarHBondContact O-CB 3.35Å; P15-R18 WeakPolarHBondContact O-CD 3.25Å; P15-R18 VanDerWaalsContact O-CG 3.25Å; P15-R18 WeakPolarHBondContact O-CG 3.46Å; P15-R18 PolarHBondContact O-N 3.09Å; T16-R18 PolarHBondContact O-N 3.39Å; R18-L20 PolarHBondContact O-N 3.32Å; R18-K21 PolarHBondContact O-N 2.83Å
19	I	85.4	Confident	79.7	Confident	24 Å²	24	55.2 Å²	55.2	12%	0.123	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.5	-23.1	176.5	-50.7	171.8	0	0	0	111.4	Y17 L186 V409 Y412 Y416	Y17-I19 PolarHBondContact O-N 3.07Å; I19-L186 HydrophobicContact CG2-CD2 4.2Å; I19-V409 HydrophobicContact CG2-CG1 4.34Å; I19-V409 HydrophobicContact CG2-CG2 4.29Å; I19-Y412 HydrophobicContact CG1-CE1 4.46Å; I19-Y412 HydrophobicContact CG2-CD1 4.05Å; I19-Y412 HydrophobicContact CG2-CE1 4.48Å; I19-Y412 HydrophobicContact CG2-CG 4.44Å; I19-Y412 WeakPolarHBondContact O-CB 3.4Å; I19-Y416 HydrophobicContact CD1-CE1 4.27Å; I19-Y416 HydrophobicContact CG2-CD2 4.48Å; I19-Y416 HydrophobicContact CG2-CE2 4.38Å
20	L	87.3	Confident	80.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-101.7	12	177.8	-75	170.9	0	0	0	114	Y17 R18 P22 W169 F170 V179 F182 V183 L405 M408 V409	Y17-L20 PolarHBondContact O-N 3.12Å; R18-L20 PolarHBondContact O-N 3.32Å; L20-P22 WeakPolarHBondContact O-CD 3.37Å; L20-W169 HydrophobicContact CB-CH2 4.32Å; L20-F170 HydrophobicContact CB-CE1 4.14Å; L20-F170 HydrophobicContact CB-CZ 4.17Å; L20-V179 HydrophobicContact CD1-CG1 3.63Å; L20-F182 HydrophobicContact CD1-CD1 4.33Å; L20-F182 HydrophobicContact CD2-CD1 4.44Å; L20-F182 HydrophobicContact CD2-CE1 4.1Å; L20-V183 HydrophobicContact CD1-CG2 3.66Å; L20-V183 HydrophobicContact CG-CG2 4.33Å; L20-L405 HydrophobicContact CD1-CD2 4.19Å; L20-L405 HydrophobicContact CD2-CD2 3.9Å; L20-M408 HydrophobicContact CD2-CB 4.05Å; L20-V409 HydrophobicContact CD2-CG2 3.9Å
21	K	88.3	Confident	82	Confident	20 Å²	20	56 Å²	56	9%	0.087	26%	0.264	C	S	.	.			trans	-112.1	99.5	172.7	-77	-158.6	165.2	-169.7	0	110.9	R18 D25 V26 D29 N167 F170	R18-K21 PolarHBondContact O-N 2.83Å; K21-D25 HydrophobicContact CG-CB 4.47Å; K21-V26 HydrophobicContact CB-CG2 3.97Å; K21-D29 IonicContact NZ-OD1 3.39Å; K21-D29 IonicContact NZ-OD2 3.92Å; K21-D29 PolarHBondContact NZ-OD2 3.37Å; K21-N167 PolarHBondContact NZ-OD1 2.88Å; K21-F170 HydrophobicContact CG-CE2 4.13Å; K21-F170 HydrophobicContact CG-CZ 4.08Å
22	P	90.1	Very high	83	Confident	1 Å²	1	55 Å²	55	1%	0.006	26%	0.26	C	S	.	.			trans	-61.8	165.3	169.8	-21.8	34.3	0	0	0	112	L20 W24 D25 V26 M408 Q411	L20-P22 WeakPolarHBondContact O-CD 3.37Å; P22-W24 HydrophobicContact CB-CD2 3.69Å; P22-W24 VanDerWaalsContact CB-CE2 3.46Å; P22-W24 HydrophobicContact CB-CE3 3.95Å; P22-W24 HydrophobicContact CB-CG 4.34Å; P22-W24 HydrophobicContact CB-CH2 3.94Å; P22-W24 HydrophobicContact CB-CZ2 3.62Å; P22-W24 HydrophobicContact CB-CZ3 4.08Å; P22-W24 HydrophobicContact CG-CD2 4.45Å; P22-W24 HydrophobicContact CG-CH2 4.21Å; P22-W24 HydrophobicContact CG-CZ2 3.6Å; P22-W24 PolarHBondContact O-N 3.26Å; P22-D25 PolarHBondContact O-N 2.96Å; P22-V26 PolarHBondContact O-N 3.05Å; P22-M408 HydrophobicContact CG-CE 3.75Å; P22-M408 HydrophobicContact CG-SD 4.03Å; P22-Q411 HydrophobicContact CB-CB 3.88Å; P22-Q411 HydrophobicContact CG-CB 3.98Å; P22-Q411 HydrophobicContact CG-CG 4.46Å
23	W	91.3	Very high	84.2	Confident	139 Å²	139	51.8 Å²	51.8	53%	0.527	24%	0.242	S	C	.	.	H	α-helix	trans	-53.4	-30.9	-175.6	66.7	-96.6	0	0	0	114.4	F27 Y368	W23-F27 VanDerWaalsContact O-CB 3.29Å; W23-F27 WeakPolarHBondContact O-CB 3.09Å; W23-F27 PolarHBondContact O-N 3.35Å; W23-Y368 HydrophobicContact CH2-CD1 4.18Å; W23-Y368 HydrophobicContact CH2-CE1 4Å; W23-Y368 HydrophobicContact CZ2-CD1 4.14Å; W23-Y368 AromaticContact CZ2-CE1 3.5Å; W23-Y368 HydrophobicContact CZ2-CE1 3.5Å; W23-Y368 AromaticContact CZ2-CZ 3.75Å
24	W	91.9	Very high	85.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.7	-38	179.3	54.3	74.8	0	0	0	113.6	P22 F27 M28 Y294 I365 Y368 T369 W372 Q411	P22-W24 HydrophobicContact CB-CD2 3.69Å; P22-W24 VanDerWaalsContact CB-CE2 3.46Å; P22-W24 HydrophobicContact CB-CE3 3.95Å; P22-W24 HydrophobicContact CB-CG 4.34Å; P22-W24 HydrophobicContact CB-CH2 3.94Å; P22-W24 HydrophobicContact CB-CZ2 3.62Å; P22-W24 HydrophobicContact CB-CZ3 4.08Å; P22-W24 HydrophobicContact CG-CD2 4.45Å; P22-W24 HydrophobicContact CG-CH2 4.21Å; P22-W24 HydrophobicContact CG-CZ2 3.6Å; P22-W24 PolarHBondContact O-N 3.26Å; W24-F27 PolarHBondContact O-N 3.08Å; W24-M28 WeakPolarHBondContact O-CB 3.25Å; W24-M28 WeakPolarHBondContact O-CG 3.22Å; W24-M28 PolarHBondContact O-N 3.2Å; W24-Y294 PolarHBondContact NE1-OH 3.28Å; W24-I365 HydrophobicContact CB-CG2 3.72Å; W24-Y368 HydrophobicContact CE3-CD1 4.46Å; W24-Y368 AromaticContact CE3-CE1 3.72Å; W24-Y368 HydrophobicContact CE3-CE1 3.72Å; W24-Y368 AromaticContact CZ3-CE1 3.96Å; W24-Y368 HydrophobicContact CZ3-CE1 3.96Å; W24-T369 HydrophobicContact CB-CG2 3.73Å; W24-T369 HydrophobicContact CD2-CG2 3.73Å; W24-T369 HydrophobicContact CG-CG2 3.3Å; W24-W372 AromaticContact CH2-CD2 3.77Å; W24-W372 HydrophobicContact CH2-CD2 3.77Å; W24-W372 AromaticContact CH2-CE2 3.57Å; W24-W372 HydrophobicContact CH2-CE3 4.17Å; W24-W372 HydrophobicContact CH2-CG 4.17Å; W24-W372 HydrophobicContact CH2-CH2 4.27Å; W24-W372 AromaticContact CH2-CZ2 3.86Å; W24-W372 HydrophobicContact CH2-CZ2 3.86Å; W24-W372 HydrophobicContact CH2-CZ3 4.4Å; W24-W372 AromaticContact CH2-NE1 3.76Å; W24-W372 HydrophobicContact CZ2-CD2 4.11Å; W24-W372 HydrophobicContact CZ2-CE3 4.03Å; W24-W372 HydrophobicContact CZ2-CH2 4.16Å; W24-W372 HydrophobicContact CZ2-CZ2 4.22Å; W24-W372 HydrophobicContact CZ2-CZ3 4.05Å; W24-Q411 HydrophobicContact CH2-CB 4.38Å; W24-Q411 HydrophobicContact CH2-CG 3.79Å; W24-Q411 HydrophobicContact CZ3-CG 4.41Å
25	D	89.9	Confident	86.6	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.027	23%	0.23	C	C	.	.	H	α-helix	trans	-72.8	-42.3	178.5	-82.3	-32	0	0	0	109.7	K21 P22 F27 M28 D29 Y294	K21-D25 HydrophobicContact CG-CB 4.47Å; P22-D25 PolarHBondContact O-N 2.96Å; D25-F27 VanDerWaalsContact C-N 3.3Å; D25-F27 PolarHBondContact O-N 3.47Å; D25-M28 PolarHBondContact O-N 2.89Å; D25-M28 VanDerWaalsContact OD1-CE 3.23Å; D25-M28 WeakPolarHBondContact OD1-CE 3.18Å; D25-D29 PolarHBondContact O-N 3.45Å; D25-Y294 PolarHBondContact OD2-OH 3.36Å
26	V	90	Very high	87.8	Confident	56 Å²	56	44 Å²	44	34%	0.339	20%	0.201	S	C	.	.	H	α-helix	trans	-56.5	-44.6	172	178	0	0	0	0	111	K21 P22 D29 Y30	K21-V26 HydrophobicContact CB-CG2 3.97Å; P22-V26 PolarHBondContact O-N 3.05Å; V26-D29 PolarHBondContact O-N 3.08Å; V26-Y30 HydrophobicContact CG1-CD2 4.05Å; V26-Y30 HydrophobicContact CG1-CE2 3.66Å; V26-Y30 WeakPolarHBondContact O-CD2 3.37Å; V26-Y30 PolarHBondContact O-N 2.97Å
27	F	91.9	Very high	88.9	Confident	102 Å²	102	45.3 Å²	45.3	45%	0.447	20%	0.204	S	C	.	.	H	α-helix	trans	-71.2	-36.8	179.1	-170	-135.5	0	0	0	112.8	W23 W24 D25 D29 Y30 L31 V361 I365	W23-F27 VanDerWaalsContact O-CB 3.29Å; W23-F27 WeakPolarHBondContact O-CB 3.09Å; W23-F27 PolarHBondContact O-N 3.35Å; W24-F27 PolarHBondContact O-N 3.08Å; D25-F27 VanDerWaalsContact C-N 3.3Å; D25-F27 PolarHBondContact O-N 3.47Å; F27-D29 VanDerWaalsContact C-N 3.35Å; F27-Y30 PolarHBondContact O-N 3.35Å; F27-L31 VanDerWaalsContact O-CB 3.29Å; F27-L31 WeakPolarHBondContact O-CB 3.46Å; F27-L31 PolarHBondContact O-N 3.13Å; F27-V361 HydrophobicContact CE1-CG1 4.14Å; F27-V361 HydrophobicContact CZ-CG1 4.4Å; F27-I365 HydrophobicContact CD1-CD1 3.37Å; F27-I365 HydrophobicContact CD1-CG1 4.12Å; F27-I365 HydrophobicContact CE1-CD1 3.67Å; F27-I365 HydrophobicContact CE1-CG1 4.41Å; F27-I365 HydrophobicContact CG-CD1 4.34Å
28	M	90.1	Very high	89.5	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.02	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-35.2	172.2	-82.6	-170.7	-73.9	0	0	112.9	W24 D25 L31 G32 Y362 I365 T369	W24-M28 WeakPolarHBondContact O-CB 3.25Å; W24-M28 WeakPolarHBondContact O-CG 3.22Å; W24-M28 PolarHBondContact O-N 3.2Å; D25-M28 PolarHBondContact O-N 2.89Å; D25-M28 VanDerWaalsContact OD1-CE 3.23Å; D25-M28 WeakPolarHBondContact OD1-CE 3.18Å; M28-L31 PolarHBondContact O-N 3.49Å; M28-G32 PolarHBondContact O-N 3.42Å; M28-Y362 HydrophobicContact CB-CD2 4.39Å; M28-Y362 HydrophobicContact CB-CE2 3.8Å; M28-Y362 HydrophobicContact CG-CD2 4.03Å; M28-Y362 HydrophobicContact CG-CE2 3.72Å; M28-Y362 HydrophobicContact SD-CE1 4.26Å; M28-Y362 HydrophobicContact SD-CE2 4.03Å; M28-I365 HydrophobicContact CE-CG2 4.07Å; M28-I365 HydrophobicContact CG-CB 4.22Å; M28-I365 HydrophobicContact CG-CD1 4.22Å; M28-I365 HydrophobicContact CG-CG2 3.81Å; M28-I365 HydrophobicContact SD-CG2 4.11Å; M28-T369 HydrophobicContact CE-CG2 4.38Å
29	D	88.4	Confident	90.1	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.102	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-48	176.3	-69.9	-27.1	0	0	0	111.3	K21 D25 V26 F27 L31 G32 I33	K21-D29 IonicContact NZ-OD1 3.39Å; K21-D29 IonicContact NZ-OD2 3.92Å; K21-D29 PolarHBondContact NZ-OD2 3.37Å; D25-D29 PolarHBondContact O-N 3.45Å; V26-D29 PolarHBondContact O-N 3.08Å; F27-D29 VanDerWaalsContact C-N 3.35Å; D29-L31 VanDerWaalsContact C-N 3.35Å; D29-L31 PolarHBondContact O-N 2.71Å; D29-G32 PolarHBondContact O-N 3.11Å; D29-I33 WeakPolarHBondContact O-CG1 3.45Å; D29-I33 PolarHBondContact O-N 2.98Å; D29-I33 VanDerWaalsContact O-N 3.07Å
30	Y	89.8	Confident	90.3	Very high	156 Å²	156	37.8 Å²	37.8	61%	0.612	18%	0.178	S	C	*	.	H	α-helix	trans	-61.9	-41.7	174.7	-73.8	-61.6	0	0	0	112.1	V26 F27 G32 I33 V34	V26-Y30 HydrophobicContact CG1-CD2 4.05Å; V26-Y30 HydrophobicContact CG1-CE2 3.66Å; V26-Y30 WeakPolarHBondContact O-CD2 3.37Å; V26-Y30 PolarHBondContact O-N 2.97Å; F27-Y30 PolarHBondContact O-N 3.35Å; Y30-G32 VanDerWaalsContact C-N 3.33Å; Y30-G32 PolarHBondContact O-N 2.98Å; Y30-I33 PolarHBondContact O-N 3.17Å; Y30-V34 WeakPolarHBondContact O-CG2 3.28Å; Y30-V34 PolarHBondContact O-N 2.87Å
31	L	91.4	Very high	90.5	Very high	12 Å²	12	43 Å²	43	6%	0.063	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-37.7	177.9	-174.2	52.1	0	0	0	112	F27 M28 D29 V34 M35 L358 V361 Y362 I365	F27-L31 VanDerWaalsContact O-CB 3.29Å; F27-L31 WeakPolarHBondContact O-CB 3.46Å; F27-L31 PolarHBondContact O-N 3.13Å; M28-L31 PolarHBondContact O-N 3.49Å; D29-L31 VanDerWaalsContact C-N 3.35Å; D29-L31 PolarHBondContact O-N 2.71Å; L31-V34 PolarHBondContact O-N 2.78Å; L31-M35 HydrophobicContact CG-SD 4.32Å; L31-M35 WeakPolarHBondContact O-CB 3.47Å; L31-M35 VanDerWaalsContact O-CG 3.31Å; L31-M35 WeakPolarHBondContact O-CG 3.43Å; L31-M35 PolarHBondContact O-N 2.8Å; L31-L358 HydrophobicContact CD1-CB 4.02Å; L31-L358 HydrophobicContact CD1-CD2 3.64Å; L31-L358 HydrophobicContact CD1-CG 4.38Å; L31-V361 HydrophobicContact CD2-CB 4.08Å; L31-V361 HydrophobicContact CD2-CG1 3.81Å; L31-Y362 HydrophobicContact CB-CD2 4.5Å; L31-Y362 HydrophobicContact CD2-CD2 4.05Å; L31-Y362 HydrophobicContact CD2-CG 4.38Å; L31-Y362 HydrophobicContact CG-CD2 4.21Å; L31-I365 HydrophobicContact CD2-CD1 4.06Å
32	G	89.6	Confident	90.5	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-41.9	170.7	0	0	0	0	0	112.9	M28 D29 Y30 M35 L36 T159	M28-G32 PolarHBondContact O-N 3.42Å; D29-G32 PolarHBondContact O-N 3.11Å; Y30-G32 VanDerWaalsContact C-N 3.33Å; Y30-G32 PolarHBondContact O-N 2.98Å; G32-M35 PolarHBondContact O-N 3.49Å; G32-L36 VanDerWaalsContact O-CB 3.3Å; G32-L36 WeakPolarHBondContact O-CB 3.43Å; G32-L36 PolarHBondContact O-N 3.12Å; G32-T159 VanDerWaalsContact O-CG2 3.23Å; G32-T159 WeakPolarHBondContact O-CG2 3.43Å
33	I	89.3	Confident	90.5	Very high	49 Å²	49	42.7 Å²	42.7	25%	0.251	20%	0.202	S	C	.	.	H	α-helix	trans	-64.2	-42	175.1	-65.5	164.9	0	0	0	111.2	D29 Y30 L36 M37 M163	D29-I33 WeakPolarHBondContact O-CG1 3.45Å; D29-I33 PolarHBondContact O-N 2.98Å; D29-I33 VanDerWaalsContact O-N 3.07Å; Y30-I33 PolarHBondContact O-N 3.17Å; I33-L36 WeakPolarHBondContact O-CB 3.34Å; I33-L36 PolarHBondContact O-N 3.3Å; I33-M37 HydrophobicContact CG2-SD 4.43Å; I33-M37 WeakPolarHBondContact O-CG 3.22Å; I33-M37 PolarHBondContact O-N 3.05Å; I33-M163 HydrophobicContact CG1-CE 4.46Å
34	V	91.7	Very high	90.4	Very high	72 Å²	72	38 Å²	38	44%	0.436	19%	0.189	S	C	.	.	H	α-helix	trans	-65.1	-41.9	176.9	175.6	0	0	0	0	111.5	Y30 L31 L36 M37 L38 L358	Y30-V34 WeakPolarHBondContact O-CG2 3.28Å; Y30-V34 PolarHBondContact O-N 2.87Å; L31-V34 PolarHBondContact O-N 2.78Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 3.22Å; V34-M37 PolarHBondContact O-N 3.39Å; V34-L38 PolarHBondContact O-N 2.87Å; V34-L358 HydrophobicContact CG1-CD1 3.94Å; V34-L358 HydrophobicContact CG1-CD2 4.03Å
35	M	91.4	Very high	90.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-38.1	173.1	-73	167.3	50.1	0	0	112.2	L31 G32 L38 A39 T159 L162 Y355 L358 I359 Y362	L31-M35 HydrophobicContact CG-SD 4.32Å; L31-M35 WeakPolarHBondContact O-CB 3.47Å; L31-M35 VanDerWaalsContact O-CG 3.31Å; L31-M35 WeakPolarHBondContact O-CG 3.43Å; L31-M35 PolarHBondContact O-N 2.8Å; G32-M35 PolarHBondContact O-N 3.49Å; M35-L38 PolarHBondContact O-N 2.98Å; M35-A39 WeakPolarHBondContact O-CB 3.46Å; M35-A39 PolarHBondContact O-N 3.06Å; M35-T159 HydrophobicContact CB-CG2 3.77Å; M35-T159 HydrophobicContact CE-CG2 4.32Å; M35-L162 HydrophobicContact CE-CD1 3.96Å; M35-Y355 HydrophobicContact CB-CE2 4.31Å; M35-Y355 HydrophobicContact CE-CE2 4.02Å; M35-Y355 HydrophobicContact CG-CE2 4.41Å; M35-L358 HydrophobicContact CG-CB 3.81Å; M35-L358 HydrophobicContact CG-CD1 3.99Å; M35-L358 HydrophobicContact SD-CB 4.42Å; M35-I359 HydrophobicContact CE-CD1 3.42Å; M35-I359 VanDerWaalsContact CE-CD1 3.42Å; M35-I359 HydrophobicContact CE-CG1 4.21Å; M35-I359 HydrophobicContact SD-CD1 4.27Å; M35-Y362 HydrophobicContact SD-CD2 4.48Å
36	L	90.9	Very high	90.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.3	-43.1	177.9	176.2	62.9	0	0	0	111.2	L4 V7 G32 I33 V34 L38 A39 I40 L156 T159 M163	L4-L36 HydrophobicContact CD1-CD2 3.9Å; L4-L36 HydrophobicContact CD1-CG 3.93Å; V7-L36 HydrophobicContact CB-CD1 4.37Å; V7-L36 HydrophobicContact CB-CD2 4.02Å; V7-L36 HydrophobicContact CG1-CD1 3.79Å; V7-L36 HydrophobicContact CG1-CD2 3.78Å; V7-L36 HydrophobicContact CG1-CG 4.44Å; G32-L36 VanDerWaalsContact O-CB 3.3Å; G32-L36 WeakPolarHBondContact O-CB 3.43Å; G32-L36 PolarHBondContact O-N 3.12Å; I33-L36 WeakPolarHBondContact O-CB 3.34Å; I33-L36 PolarHBondContact O-N 3.3Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 3.22Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-L38 PolarHBondContact O-N 3.09Å; L36-A39 PolarHBondContact O-N 3.26Å; L36-I40 HydrophobicContact CD1-CD1 3.82Å; L36-I40 HydrophobicContact CD1-CG1 4.21Å; L36-I40 HydrophobicContact CG-CD1 3.96Å; L36-I40 WeakPolarHBondContact O-CB 3.19Å; L36-I40 WeakPolarHBondContact O-CG1 3.39Å; L36-I40 PolarHBondContact O-N 3.26Å; L36-L156 HydrophobicContact CD1-CD1 3.42Å; L36-L156 VanDerWaalsContact CD1-CD1 3.42Å; L36-T159 HydrophobicContact CB-CG2 3.93Å; L36-M163 HydrophobicContact CB-SD 4.38Å; L36-M163 HydrophobicContact CD2-CE 4.15Å; L36-M163 HydrophobicContact CD2-SD 4.11Å
37	M	90.4	Very high	90	Very high	99 Å²	99	42.6 Å²	42.6	49%	0.488	21%	0.21	S	C	.	.	H	α-helix	trans	-59.1	-44.4	172.6	-71.7	178.1	70.1	0	0	111.6	L4 I33 V34 F41	L4-M37 HydrophobicContact CD1-CG 3.74Å; L4-M37 HydrophobicContact CD2-CE 4.49Å; L4-M37 HydrophobicContact CD2-CG 3.66Å; L4-M37 HydrophobicContact CD2-SD 4.08Å; L4-M37 HydrophobicContact CG-CG 4.38Å; I33-M37 HydrophobicContact CG2-SD 4.43Å; I33-M37 WeakPolarHBondContact O-CG 3.22Å; I33-M37 PolarHBondContact O-N 3.05Å; V34-M37 PolarHBondContact O-N 3.39Å; M37-F41 WeakPolarHBondContact O-CB 3.37Å; M37-F41 PolarHBondContact O-N 3.4Å
38	L	91.7	Very high	89.8	Confident	16 Å²	16	42.4 Å²	42.4	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-45.8	176.6	-170.5	160.9	0	0	0	111.4	V34 M35 L36 F41 S42 L351 C354 Y355 L358	V34-L38 PolarHBondContact O-N 2.87Å; M35-L38 PolarHBondContact O-N 2.98Å; L36-L38 VanDerWaalsContact C-N 3.35Å; L36-L38 PolarHBondContact O-N 3.09Å; L38-F41 PolarHBondContact O-N 3.06Å; L38-S42 VanDerWaalsContact O-CB 3.29Å; L38-S42 WeakPolarHBondContact O-CB 3.39Å; L38-S42 PolarHBondContact O-N 3.41Å; L38-L351 HydrophobicContact CG-CD2 4.42Å; L38-C354 HydrophobicContact CD1-CB 3.95Å; L38-Y355 HydrophobicContact CD2-CD2 4.23Å; L38-L358 HydrophobicContact CD1-CD1 3.85Å
39	A	91.3	Very high	89.5	Confident	2 Å²	2	48.1 Å²	48.1	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-46	178.9	0	0	0	0	0	112.4	M35 L36 S42 G43 A155 L156	M35-A39 WeakPolarHBondContact O-CB 3.46Å; M35-A39 PolarHBondContact O-N 3.06Å; L36-A39 PolarHBondContact O-N 3.26Å; A39-S42 PolarHBondContact O-N 3.17Å; A39-G43 PolarHBondContact O-N 2.97Å; A39-A155 HydrophobicContact CB-CB 4Å; A39-L156 HydrophobicContact CB-CB 4.08Å
40	I	90.3	Very high	89.2	Confident	37 Å²	37	48.6 Å²	48.6	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-43	176.9	-67.9	170.9	0	0	0	110.9	L4 L36 G43 T44 L156	L4-I40 HydrophobicContact CD1-CD1 4.03Å; L36-I40 HydrophobicContact CD1-CD1 3.82Å; L36-I40 HydrophobicContact CD1-CG1 4.21Å; L36-I40 HydrophobicContact CG-CD1 3.96Å; L36-I40 WeakPolarHBondContact O-CB 3.19Å; L36-I40 WeakPolarHBondContact O-CG1 3.39Å; L36-I40 PolarHBondContact O-N 3.26Å; I40-G43 PolarHBondContact O-N 3.33Å; I40-T44 WeakPolarHBondContact O-CB 3.47Å; I40-T44 PolarHBondContact O-N 2.84Å; I40-T44 PolarHBondContact O-OG1 3.38Å; I40-L156 HydrophobicContact CG1-CD1 4.27Å
41	F	90.8	Very high	88.9	Confident	111 Å²	111	47.3 Å²	47.3	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-46.4	175.9	176.9	-102.8	0	0	0	111.9	M37 L38 G43 T44 M45 L351	M37-F41 WeakPolarHBondContact O-CB 3.37Å; M37-F41 PolarHBondContact O-N 3.4Å; L38-F41 PolarHBondContact O-N 3.06Å; F41-G43 PolarHBondContact O-N 3.37Å; F41-T44 WeakPolarHBondContact O-CB 3.46Å; F41-T44 PolarHBondContact O-N 2.91Å; F41-M45 HydrophobicContact CD1-SD 4.37Å; F41-M45 HydrophobicContact CE1-CG 4.13Å; F41-M45 HydrophobicContact CE1-SD 3.5Å; F41-M45 VanDerWaalsContact CE1-SD 3.5Å; F41-M45 HydrophobicContact CE2-CG 4.38Å; F41-M45 HydrophobicContact CE2-SD 4.45Å; F41-M45 HydrophobicContact CZ-CG 4.02Å; F41-M45 HydrophobicContact CZ-SD 3.55Å; F41-M45 VanDerWaalsContact CZ-SD 3.55Å; F41-M45 PolarHBondContact O-N 2.88Å; F41-L351 HydrophobicContact CD1-CD2 3.98Å; F41-L351 HydrophobicContact CE1-CD1 4.42Å; F41-L351 HydrophobicContact CE1-CD2 4.08Å
42	S	89.1	Confident	88.7	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-37.9	178.9	-164.6	0	0	0	0	112.1	L38 A39 M45 Q46 P152	L38-S42 VanDerWaalsContact O-CB 3.29Å; L38-S42 WeakPolarHBondContact O-CB 3.39Å; L38-S42 PolarHBondContact O-N 3.41Å; A39-S42 PolarHBondContact O-N 3.17Å; S42-M45 PolarHBondContact O-N 2.93Å; S42-Q46 PolarHBondContact O-N 3.2Å; S42-P152 WeakPolarHBondContact OG-CG 3.1Å
43	G	89.5	Confident	88.8	Confident	9 Å²	9	50.2 Å²	50.2	9%	0.093	26%	0.262	C	S	.	.	H	α-helix	trans	-68.5	-36.2	174.1	0	0	0	0	0	112.4	A39 I40 F41 Q46 L47	A39-G43 PolarHBondContact O-N 2.97Å; I40-G43 PolarHBondContact O-N 3.33Å; F41-G43 PolarHBondContact O-N 3.37Å; G43-Q46 PolarHBondContact O-N 3.16Å; G43-L47 WeakPolarHBondContact O-CB 3.5Å; G43-L47 WeakPolarHBondContact O-CG 3.45Å; G43-L47 PolarHBondContact O-N 2.97Å
44	T	89.3	Confident	88.9	Confident	42 Å²	42	47.9 Å²	47.9	26%	0.258	25%	0.25	S	C	.	.	H	α-helix	trans	-64.1	-44.4	173.2	-57.7	0	0	0	0	111.5	M1 I40 F41 L47 T48	M1-T44 HydrophobicContact CE-CG2 3.6Å; M1-T44 WeakPolarHBondContact CE-OG1 3.02Å; I40-T44 WeakPolarHBondContact O-CB 3.47Å; I40-T44 PolarHBondContact O-N 2.84Å; I40-T44 PolarHBondContact O-OG1 3.38Å; F41-T44 WeakPolarHBondContact O-CB 3.46Å; F41-T44 PolarHBondContact O-N 2.91Å; T44-L47 PolarHBondContact O-N 3.16Å; T44-T48 WeakPolarHBondContact O-CB 3.49Å; T44-T48 WeakPolarHBondContact O-CG2 3.11Å; T44-T48 PolarHBondContact O-N 3.46Å; T44-T48 PolarHBondContact O-OG1 2.98Å
45	M	88.2	Confident	88.8	Confident	24 Å²	24	49.2 Å²	49.2	12%	0.118	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-43.7	175.1	-77.7	-160.8	62	0	0	111.9	F41 S42 T48 K49 M344 M347 L351	F41-M45 HydrophobicContact CD1-SD 4.37Å; F41-M45 HydrophobicContact CE1-CG 4.13Å; F41-M45 HydrophobicContact CE1-SD 3.5Å; F41-M45 VanDerWaalsContact CE1-SD 3.5Å; F41-M45 HydrophobicContact CE2-CG 4.38Å; F41-M45 HydrophobicContact CE2-SD 4.45Å; F41-M45 HydrophobicContact CZ-CG 4.02Å; F41-M45 HydrophobicContact CZ-SD 3.55Å; F41-M45 VanDerWaalsContact CZ-SD 3.55Å; F41-M45 PolarHBondContact O-N 2.88Å; S42-M45 PolarHBondContact O-N 2.93Å; M45-T48 PolarHBondContact O-N 2.88Å; M45-T48 PolarHBondContact O-OG1 2.95Å; M45-K49 WeakPolarHBondContact O-CB 3.48Å; M45-K49 PolarHBondContact O-N 3.27Å; M45-M344 HydrophobicContact CE-SD 4Å; M45-M347 HydrophobicContact CE-CB 4.18Å; M45-M347 HydrophobicContact CE-CE 4Å; M45-M347 HydrophobicContact CE-CG 4.1Å; M45-M347 HydrophobicContact SD-CE 4.16Å; M45-L351 HydrophobicContact SD-CD1 4.27Å
46	Q	87.9	Confident	88.7	Confident	16 Å²	16	50.1 Å²	50.1	8%	0.075	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-52.4	176.4	-177.1	143.6	49	0	0	111.4	S42 G43 T48 K49 D50 S148 K149 P152	S42-Q46 PolarHBondContact O-N 3.2Å; G43-Q46 PolarHBondContact O-N 3.16Å; Q46-T48 PolarHBondContact O-N 3.23Å; Q46-K49 PolarHBondContact O-N 3.4Å; Q46-D50 HydrophobicContact CG-CB 4.06Å; Q46-D50 WeakPolarHBondContact CG-OD2 3.47Å; Q46-D50 PolarHBondContact NE2-OD2 2.85Å; Q46-D50 WeakPolarHBondContact O-CB 3.45Å; Q46-D50 PolarHBondContact O-N 2.85Å; Q46-D50 VanDerWaalsContact O-N 3.09Å; Q46-S148 PolarHBondContact NE2-O 2.84Å; Q46-K149 PolarHBondContact NE2-O 2.79Å; Q46-K149 PolarHBondContact OE1-O 2.89Å; Q46-P152 VanDerWaalsContact OE1-CG 3.26Å
47	L	87.9	Confident	88.5	Confident	117 Å²	117	53 Å²	53	61%	0.613	28%	0.275	S	S	*	.	H	α-helix	trans	-62	-18.2	179.8	-73.7	170.3	0	0	0	114.8	G43 T44 Y153	G43-L47 WeakPolarHBondContact O-CB 3.5Å; G43-L47 WeakPolarHBondContact O-CG 3.45Å; G43-L47 PolarHBondContact O-N 2.97Å; T44-L47 PolarHBondContact O-N 3.16Å; L47-Y153 WeakPolarHBondContact CD2-OH 3.27Å
48	T	86.3	Confident	87.9	Confident	97 Å²	97	53 Å²	53	60%	0.595	28%	0.276	S	S	*	.	H	α-helix	trans	-111.6	-18.4	-176	55.2	0	0	0	0	115	T44 M45 Q46	T44-T48 WeakPolarHBondContact O-CB 3.49Å; T44-T48 WeakPolarHBondContact O-CG2 3.11Å; T44-T48 PolarHBondContact O-N 3.46Å; T44-T48 PolarHBondContact O-OG1 2.98Å; M45-T48 PolarHBondContact O-N 2.88Å; M45-T48 PolarHBondContact O-OG1 2.95Å; Q46-T48 PolarHBondContact O-N 3.23Å
49	K	83.6	Confident	86.5	Confident	124 Å²	124	57.5 Å²	57.5	54%	0.539	30%	0.297	S	S	.	.	H	α-helix	trans	-139.4	1.1	-171.8	-61.8	-173	179	-176.6	0	115.2	M45 Q46 Q51 M344	M45-K49 WeakPolarHBondContact O-CB 3.48Å; M45-K49 PolarHBondContact O-N 3.27Å; Q46-K49 PolarHBondContact O-N 3.4Å; K49-Q51 PolarHBondContact O-N 2.92Å; K49-Q51 VanDerWaalsContact O-N 3.13Å; K49-M344 HydrophobicContact CB-CE 3.7Å; K49-M344 HydrophobicContact CB-SD 3.78Å; K49-M344 HydrophobicContact CD-CE 4.37Å
50	D	82.8	Confident	84.3	Confident	30 Å²	30	66.2 Å²	66.2	16%	0.16	34%	0.337	C	S	.	.			trans	-72	108.5	177.5	-159.5	-7.4	0	0	0	110.6	Q46 Y140 H342 M344	Q46-D50 HydrophobicContact CG-CB 4.06Å; Q46-D50 WeakPolarHBondContact CG-OD2 3.47Å; Q46-D50 PolarHBondContact NE2-OD2 2.85Å; Q46-D50 WeakPolarHBondContact O-CB 3.45Å; Q46-D50 PolarHBondContact O-N 2.85Å; Q46-D50 VanDerWaalsContact O-N 3.09Å; D50-Y140 PolarHBondContact OD2-OH 2.88Å; D50-H342 IonicContact OD1-CD2 2.68Å; D50-H342 PolarHBondContact OD1-CD2 2.89Å; D50-H342 IonicContact OD1-CE1 3.47Å; D50-H342 IonicContact OD1-NE2 2.75Å; D50-H342 PolarHBondContact OD1-NE2 3Å; D50-H342 IonicContact OD2-NE2 3.9Å; D50-M344 HydrophobicContact CB-CG 4.46Å
51	Q	83	Confident	81.7	Confident	128 Å²	128	68.8 Å²	68.8	60%	0.598	36%	0.364	S	S	*	.			trans	-142.4	135.6	-179.8	-69.5	-173.6	-12.6	0	0	108.9	K49 N343	K49-Q51 PolarHBondContact O-N 2.92Å; K49-Q51 VanDerWaalsContact O-N 3.13Å; Q51-N343 PolarHBondContact O-N 2.97Å
52	V	88.3	Confident	78.9	Confident	13 Å²	13	72.9 Å²	72.9	8%	0.079	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.6	169.8	171.4	0	0	0	0	108.6	C54 N136 Y140 L144 C340 T341	V52-C54 VanDerWaalsContact CG1-SG 3.59Å; V52-N136 WeakPolarHBondContact O-CB 3.28Å; V52-N136 PolarHBondContact O-ND2 2.94Å; V52-Y140 HydrophobicContact CG2-CD2 3.87Å; V52-L144 HydrophobicContact CG2-CD1 3.4Å; V52-L144 VanDerWaalsContact CG2-CD1 3.4Å; V52-L144 HydrophobicContact CG2-CG 4.15Å; V52-C340 HydrophobicContact CG1-CB 3.81Å; V52-T341 WeakPolarHBondContact CA-O 3.16Å
53	V	90.9	Very high	76.2	Confident	64 Å²	64	80.2 Å²	80.2	39%	0.388	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.8	174.9	-178.2	0	0	0	0	108.7	C340 T341	V53-C340 CarbonylContact O-C 3.42Å; V53-C340 WeakPolarHBondContact O-CA 3.44Å; V53-T341 PolarHBondContact N-O 2.86Å; V53-T341 PolarHBondContact O-N 2.99Å
54	C	90.8	Very high	73.3	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.9	-177.7	-63.6	0	0	0	0	111.8	V52 V135 N136 C139 F338 H339 C340	V52-C54 VanDerWaalsContact CG1-SG 3.59Å; C54-V135 HydrophobicContact CB-CG1 3.74Å; C54-N136 WeakPolarHBondContact CB-OD1 3.47Å; C54-N136 PolarHBondContact N-OD1 3.12Å; C54-C139 WeakPolarHBondContact SG-CB 3.32Å; C54-F338 HydrophobicContact CB-CB 4.35Å; C54-H339 CarbonylContact C-O 3.34Å; C54-H339 VanDerWaalsContact CA-O 3.32Å; C54-H339 WeakPolarHBondContact CA-O 3.47Å; C54-C340 HydrophobicContact CB-CB 4.14Å; C54-C340 WeakPolarHBondContact CB-SG 3.35Å; C54-C340 WeakPolarHBondContact SG-CB 3.22Å; C54-C340 CovalentContact SG-SG 2.04Å; C54-C340 PolarHBondContact SG-SG 2.66Å
55	L	90.4	Very high	70.4	Confident	100 Å²	100	87.7 Å²	87.7	52%	0.524	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.6	174.5	-61.9	177.4	0	0	0	109.9	Y132 F338 H339	L55-Y132 HydrophobicContact CD2-CD1 4.42Å; L55-Y132 HydrophobicContact CD2-CE1 3.77Å; L55-F338 CarbonylContact O-C 3.57Å; L55-F338 VanDerWaalsContact O-CA 3.3Å; L55-F338 WeakPolarHBondContact O-CA 3.43Å; L55-H339 PolarHBondContact N-O 3.07Å; L55-H339 PolarHBondContact O-N 3.21Å
56	P	89.6	Confident	67.6	Low	19 Å²	19	90.6 Å²	90.6	12%	0.123	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.8	178.9	27.8	-35.3	0	0	0	111.2	T125 L127 Y335 F338	P56-T125 HydrophobicContact CG-CG2 3.66Å; P56-L127 HydrophobicContact CG-CD1 3.91Å; P56-Y335 HydrophobicContact CB-CD1 3.55Å; P56-Y335 HydrophobicContact CB-CD2 3.63Å; P56-Y335 HydrophobicContact CB-CE1 3.87Å; P56-Y335 HydrophobicContact CB-CE2 3.94Å; P56-Y335 HydrophobicContact CB-CG 3.42Å; P56-Y335 VanDerWaalsContact CB-CG 3.42Å; P56-Y335 HydrophobicContact CG-CD2 4.13Å; P56-Y335 HydrophobicContact CG-CE1 4.4Å; P56-Y335 HydrophobicContact CG-CE2 4.02Å; P56-Y335 HydrophobicContact CG-CG 4.38Å; P56-F338 VanDerWaalsContact CA-CD1 3.5Å; P56-F338 HydrophobicContact CB-CD1 3.92Å; P56-F338 HydrophobicContact CB-CE1 3.79Å
57	I	85.8	Confident	64.6	Low	62 Å²	62	92.8 Å²	92.8	32%	0.318	55%	0.552	S	S	.	*			trans	-83.2	129.1	170.8	-57.5	177.3	0	0	0	108	E59 V324 K337 H339	I57-E59 PolarHBondContact O-N 3.38Å; I57-V324 HydrophobicContact CD1-CG1 4.37Å; I57-K337 HydrophobicContact CB-CB 4.3Å; I57-K337 HydrophobicContact CD1-CB 4.16Å; I57-K337 PolarHBondContact N-O 3.45Å; I57-H339 HydrophobicContact CD1-CB 4.24Å; I57-H339 HydrophobicContact CG1-CB 4.12Å
58	L	79.1	Confident	61.8	Low	99 Å²	99	96.4 Å²	96.4	52%	0.518	56%	0.563	S	S	.	*			trans	-78.3	101.6	170.7	-78.3	165.7	0	0	0	109.2	Q60 V123 Y335	L58-Q60 PolarHBondContact O-N 2.98Å; L58-V123 HydrophobicContact CD1-CG1 3.71Å; L58-V123 HydrophobicContact CD1-CG2 4.34Å; L58-Y335 HydrophobicContact CD2-CE1 4.11Å
59	E	62.1	Low	58.9	Low	110 Å²	110	98.1 Å²	98.1	51%	0.514	57%	0.568	S	S	.	*			trans	-59	107.7	162.7	-71.1	169.4	-173.3	0	0	108	I57 A61 S336	I57-E59 PolarHBondContact O-N 3.38Å; E59-A61 PolarHBondContact O-N 3.32Å; E59-S336 VanDerWaalsContact CD-OG 3.28Å; E59-S336 WeakPolarHBondContact OE1-CB 3.38Å; E59-S336 PolarHBondContact OE1-OG 3.24Å; E59-S336 PolarHBondContact OE2-OG 2.92Å
60	Q	44.4	Very low	56.2	Low	184 Å²	184	99.2 Å²	99.2	86%	0.86	58%	0.575	S	S	*	*			trans	-70.5	123.1	173.1	-73.4	-174.4	-14.6	0	0	108.8	L58 Q62	L58-Q60 PolarHBondContact O-N 2.98Å; Q60-Q62 PolarHBondContact O-N 2.91Å
61	A	35.2	Very low	53.4	Low	91 Å²	91	103.4 Å²	103.4	75%	0.752	60%	0.602	S	S	*	*			trans	-64.9	120.7	175.1	0	0	0	0	0	110.2	E59 D63	E59-A61 PolarHBondContact O-N 3.32Å; A61-D63 PolarHBondContact O-N 3.48Å
62	Q	33.7	Very low	50.7	Low	197 Å²	197	105.2 Å²	105.2	92%	0.921	61%	0.61	S	S	*	*			trans	-77.2	107.5	161.5	-69.8	-177.8	-57.2	0	0	108.2	Q60	Q60-Q62 PolarHBondContact O-N 2.91Å
63	D	31.4	Very low	47.7	Very low	159 Å²	159	110.3 Å²	110.3	85%	0.85	64%	0.641	S	S	*	*			trans	-110.6	136.4	161.6	-96.1	-49.7	0	0	0	109.2	A61	A61-D63 PolarHBondContact O-N 3.48Å
64	G	28.4	Very low	44.8	Very low	82 Å²	82	113.2 Å²	113.2	85%	0.845	66%	0.662	S	S	*	*			trans	-101.2	129.3	-154.2	0	0	0	0	0	116.4
65	S	29	Very low	41.6	Very low	126 Å²	126	121.7 Å²	121.7	88%	0.881	70%	0.701	S	S	*	*			trans	-160.6	131	144.7	60.3	0	0	0	0	109.8
66	G	28.3	Very low	39.6	Very low	85 Å²	85	122.2 Å²	122.2	88%	0.876	71%	0.71	S	S	*	*			cis	149.2	89.8	-6.8	0	0	0	0	0	112.1
67	G	26.7	Very low	36.5	Very low	62 Å²	62	126.1 Å²	126.1	64%	0.639	74%	0.738	S	S	*	*			trans	153.9	98.7	168.7	0	0	0	0	0	116.7
68	F	27.2	Very low	33.6	Very low	193 Å²	193	131.1 Å²	131.1	85%	0.846	77%	0.766	S	S	*	*			trans	59.8	155.1	148.1	-65.9	-81.1	0	0	0	119.7
69	L	27	Very low	31	Very low	133 Å²	133	129.9 Å²	129.9	70%	0.696	78%	0.777	S	S	*	*			cis	-137.4	161.4	5	-156.8	118.5	0	0	0	111.4
70	E	25.9	Very low	29.2	Very low	147 Å²	147	134 Å²	134	69%	0.687	79%	0.793	S	S	*	*			trans	-32.2	160.6	164.5	-62.1	157.5	165.7	0	0	116
71	T	23.3	Very low	28.2	Very low	118 Å²	118	135.2 Å²	135.2	72%	0.724	79%	0.79	S	S	*	*			cis	-161.5	-166.5	-5.9	27.9	0	0	0	0	106.5
72	H	27.3	Very low	27.8	Very low	166 Å²	166	136.1 Å²	136.1	77%	0.769	78%	0.782	S	S	*	*			cis	-156.4	168.2	8.3	-137.2	-73.3	0	0	0	109.6
73	T	24.3	Very low	27.5	Very low	119 Å²	119	134 Å²	134	73%	0.73	77%	0.77	S	S	*	*			trans	-103.1	149.3	157.9	53.2	0	0	0	0	109.6
74	P	31.1	Very low	27.4	Very low	126 Å²	126	132.7 Å²	132.7	82%	0.818	76%	0.759	S	S	*	*				-150.4	178.2	82.2	41.9	-23.3	0	0	0	117.5
75	E	22.5	Very low	27.5	Very low	178 Å²	178	135.7 Å²	135.7	83%	0.832	76%	0.756	S	S	*	*			trans	-73.7	-175.1	161	-63.5	-174.9	140.1	0	0	112.3
76	P	49.5	Very low	27.4	Very low	110 Å²	110	133.3 Å²	133.3	71%	0.714	74%	0.743	S	S	*	*				-133	-159.8	-50.9	37.3	-20.1	0	0	0	112.4
77	S	23.9	Very low	27.4	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	74%	0.74	S	S	*	*			trans	100.3	135.3	151.7	74.2	0	0	0	0	121.2
78	D	24.2	Very low	27.5	Very low	167 Å²	167	136.8 Å²	136.8	89%	0.893	74%	0.741	S	S	*	*			trans	50.1	129.4	150.9	-59.5	-1	0	0	0	123.4
79	G	24.9	Very low	27.5	Very low	73 Å²	73	135.4 Å²	135.4	75%	0.753	74%	0.737	S	S	*	*			trans	167.6	86.5	162.1	0	0	0	0	0	118.9
80	F	23.9	Very low	27.5	Very low	196 Å²	196	136.4 Å²	136.4	86%	0.86	74%	0.738	S	S	*	*			trans	44.1	107.7	146.4	-85.1	-101.5	0	0	0	123.2
81	W	24.9	Very low	27.7	Very low	209 Å²	209	134 Å²	134	79%	0.792	74%	0.743	S	S	*	*				40.6	132.1	120.1	-73.4	107.8	0	0	0	124.2
82	N	26	Very low	27.9	Very low	110 Å²	110	132.8 Å²	132.8	59%	0.588	75%	0.745	S	S	*	*			trans	87.9	122.9	133.6	-85	-34.2	0	0	0	122.7
83	K	27.5	Very low	28.7	Very low	153 Å²	153	130.1 Å²	130.1	67%	0.665	74%	0.742	S	S	*	*			trans	70.4	155.9	130.8	-74.1	175.6	158.6	-123	0	118.2
84	E	29.2	Very low	28.7	Very low	131 Å²	131	131.3 Å²	131.3	61%	0.612	74%	0.744	S	S	*	*			cis	-156.7	-177	-4	-134.5	154.1	-174.9	0	0	111.7
85	N	29.8	Very low	28.5	Very low	146 Å²	146	132.5 Å²	132.5	78%	0.781	74%	0.74	S	S	*	*			trans	76.6	144.8	156.5	-64.5	-29.1	0	0	0	118.6
86	A	28.6	Very low	28.7	Very low	75 Å²	75	128.6 Å²	128.6	62%	0.62	73%	0.732	S	S	*	*			cis	-156.1	148.3	-5.7	0	0	0	0	0	113.9
87	I	28.4	Very low	27.8	Very low	158 Å²	158	133.1 Å²	133.1	81%	0.81	74%	0.741	S	S	*	*				40.4	131.1	128.7	-47.8	166.5	0	0	0	118.3
88	G	27.1	Very low	27.9	Very low	63 Å²	63	139.4 Å²	139.4	65%	0.649	75%	0.749	S	S	*	*			cis	157.2	-175.5	-0.4	0	0	0	0	0	112.8
89	E	27.9	Very low	29	Very low	164 Å²	164	136.9 Å²	136.9	77%	0.766	74%	0.741	S	S	*	*			trans	67	154.1	161.7	-53.1	-151.2	116	0	0	118.2
90	Q	28.2	Very low	29.8	Very low	154 Å²	154	139.3 Å²	139.3	72%	0.72	74%	0.744	S	S	*	*			cis	-157.6	153.3	-16.8	-117.7	-171.9	48.1	0	0	110.3
91	A	28.6	Very low	30.1	Very low	97 Å²	97	139.9 Å²	139.9	80%	0.802	75%	0.746	S	S	*	*			trans	60.7	168.5	152.3	0	0	0	0	0	122.2
92	A	27.8	Very low	30.3	Very low	91 Å²	91	133.4 Å²	133.4	75%	0.752	74%	0.744	S	S	*	*			trans	-126.5	-163.3	-178.5	0	0	0	0	0	108.5
93	P	44.3	Very low	30.6	Very low	110 Å²	110	136.3 Å²	136.3	71%	0.714	76%	0.758	S	S	*	*			cis	-147.6	-164.8	7.3	41.6	-18.1	0	0	0	117.3
94	L	25.2	Very low	30.7	Very low	145 Å²	145	135.2 Å²	135.2	76%	0.759	76%	0.764	S	S	*	*			trans	86.3	135.5	152.3	-74.5	165	0	0	0	123.3
95	M	26.7	Very low	31.7	Very low	151 Å²	151	134.6 Å²	134.6	74%	0.744	77%	0.771	S	S	*	*			trans	78.7	83.5	143.3	-72.9	-68.3	134.5	0	0	124.2
96	S	26.2	Very low	31.7	Very low	96 Å²	96	133.2 Å²	133.2	67%	0.671	77%	0.773	S	S	*	*				91.2	157.1	113.9	84.9	0	0	0	0	122.9
97	K	30.7	Very low	31.8	Very low	204 Å²	204	135.7 Å²	135.7	89%	0.887	78%	0.776	S	S	*	*			trans	77.6	121.2	163.7	-67	178.8	-179.7	175.3	0	120.3
98	R	26.5	Very low	32.4	Very low	235 Å²	235	134.4 Å²	134.4	89%	0.887	78%	0.777	S	S	*	*			trans	-75.6	-179.7	158.4	-62.9	176	175	174.2	-2.3	110.8
99	P	46.9	Very low	32.7	Very low	113 Å²	113	139.1 Å²	139.1	73%	0.734	78%	0.78	S	S	*	*			cis	-122.1	-156.5	-46.8	34.7	-14.6	0	0	0	109.3
100	P	42.1	Very low	33.4	Very low	125 Å²	125	136.9 Å²	136.9	81%	0.812	78%	0.78	S	S	*	*				-148.6	-162.8	77.8	39.3	-18.2	0	0	0	114.3
101	K	29.3	Very low	33.6	Very low	207 Å²	207	137.9 Å²	137.9	90%	0.9	79%	0.785	S	S	*	*			trans	-103.2	137	177.9	-65.6	176.2	176.8	178.1	0	112.2
102	G	29.1	Very low	33.8	Very low	73 Å²	73	139.3 Å²	139.3	75%	0.753	79%	0.789	S	S	*	*			trans	63.3	136.7	133.2	0	0	0	0	0	122
103	I	31.4	Very low	34.2	Very low	172 Å²	172	140.9 Å²	140.9	88%	0.882	80%	0.795	S	S	*	*			trans	-173.4	165.6	138.9	-96.5	153.2	0	0	0	107.9
104	V	29.9	Very low	33.9	Very low	130 Å²	130	140.2 Å²	140.2	79%	0.788	80%	0.798	S	S	*	*			trans	-142.1	166.5	-166.2	-163.1	0	0	0	0	108.1
105	P	50	Low	34.8	Very low	117 Å²	117	143.5 Å²	143.5	76%	0.76	81%	0.807	S	S	*	*				-116.7	177.6	-56.6	38.8	-25.8	0	0	0	112.8
106	S	29.9	Very low	35.5	Very low	117 Å²	117	145.2 Å²	145.2	82%	0.818	82%	0.815	S	S	*	*			trans	-161.3	143.9	148.4	50.4	0	0	0	0	113.4
107	N	31.5	Very low	36.5	Very low	127 Å²	127	149.1 Å²	149.1	68%	0.679	82%	0.823	S	S	*	*			trans	-98.8	161.2	169.3	-100.3	15.4	0	0	0	110.2
108	P	40.7	Very low	37.9	Very low	131 Å²	131	144.8 Å²	144.8	85%	0.851	82%	0.816	S	S	*	*				-128.7	155.3	113.7	4.1	17.3	0	0	0	115.1
109	F	33.1	Very low	39.4	Very low	162 Å²	162	138.7 Å²	138.7	71%	0.711	81%	0.806	S	S	*	*			trans	-85.4	160.3	169.8	-89	-81.3	0	0	0	111
110	P	42.2	Very low	40.5	Very low	118 Å²	118	139.7 Å²	139.7	77%	0.766	81%	0.813	S	S	*	*				-133.4	136.7	63.9	17.4	7.3	0	0	0	115.2
111	Q	33.7	Very low	42.2	Very low	175 Å²	175	143 Å²	143	82%	0.818	82%	0.815	S	S	*	*				67.3	116.4	86.3	-70.7	-170	-18.1	0	0	117
112	S	33.1	Very low	44.4	Very low	126 Å²	126	136.6 Å²	136.6	88%	0.881	81%	0.808	S	S	*	*			trans	-136.8	166.7	150	61.3	0	0	0	0	109.1
113	S	35.3	Very low	46.9	Very low	125 Å²	125	138 Å²	138	87%	0.874	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-81	145.1	-157	43.6	0	0	0	0	116
114	A	38.6	Very low	49.2	Very low	96 Å²	96	141 Å²	141	79%	0.793	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-102.5	136.2	175.6	0	0	0	0	0	112.2
115	F	43.4	Very low	51.6	Low	213 Å²	213	136.3 Å²	136.3	93%	0.934	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-80.3	127.7	160.1	-93.3	-98	0	0	0	109.5	Q117	F115-Q117 PolarHBondContact O-N 3.36Å
116	M	41.3	Very low	53.2	Low	188 Å²	188	140.6 Å²	140.6	93%	0.926	78%	0.78	S	S	*	*			trans	-77.2	112.3	176.1	-85.3	171	53	0	0	111.5
117	Q	48.5	Very low	55.8	Low	177 Å²	177	136.2 Å²	136.2	83%	0.827	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-77.8	148.2	155.2	-68.8	-174.8	-7.4	0	0	109.8	F115	F115-Q117 PolarHBondContact O-N 3.36Å
118	P	59	Low	58.6	Low	113 Å²	113	134.8 Å²	134.8	73%	0.734	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-65.7	147.7	173.3	28.7	-34.8	0	0	0	110.9
119	P	59.2	Low	60.9	Low	107 Å²	107	135.9 Å²	135.9	70%	0.695	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-62.9	136.6	-179.5	25.8	-34.3	0	0	0	111.1	K121	P119-K121 PolarHBondContact O-N 3.45Å
120	P	69.6	Low	63.6	Low	134 Å²	134	134.3 Å²	134.3	87%	0.87	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-64.9	122.3	-174.1	25.1	-34	0	0	0	111.5
121	K	76.5	Confident	65.9	Low	195 Å²	195	131.7 Å²	131.7	85%	0.848	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-91.3	133.2	171.3	-68.1	177.8	-179.9	174.3	0	109.4	P119	P119-K121 PolarHBondContact O-N 3.45Å
122	G	76.1	Confident	68.5	Low	73 Å²	73	125.4 Å²	125.4	75%	0.753	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-63.4	143.7	177.8	0	0	0	0	0	113.1
123	V	81.8	Confident	71.3	Confident	103 Å²	103	122.4 Å²	122.4	62%	0.624	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-72.2	138.2	179.1	175.1	0	0	0	0	110.8	L58 T125	L58-V123 HydrophobicContact CD1-CG1 3.71Å; L58-V123 HydrophobicContact CD1-CG2 4.34Å; V123-T125 HydrophobicContact CG1-CG2 4.17Å
124	R	80.1	Confident	73.9	Confident	233 Å²	233	120.4 Å²	120.4	88%	0.879	62%	0.624	S	S	*	*			trans	-110.4	108.5	171.6	-69.4	-174.8	175.9	-169.9	-1.5	110.3
125	T	79.8	Confident	76.3	Confident	32 Å²	32	115.8 Å²	115.8	20%	0.196	59%	0.587	C	S	.	*			trans	-85.8	-15.2	-175.5	52.2	0	0	0	0	114.7	P56 V123 L127 Y132 Y335	P56-T125 HydrophobicContact CG-CG2 3.66Å; V123-T125 HydrophobicContact CG1-CG2 4.17Å; T125-L127 PolarHBondContact O-N 3.03Å; T125-L127 VanDerWaalsContact O-N 3.16Å; T125-Y132 WeakPolarHBondContact CB-OH 3.44Å; T125-Y132 WeakPolarHBondContact CG2-OH 3.12Å; T125-Y132 PolarHBondContact OG1-OH 3.05Å; T125-Y335 PolarHBondContact O-OH 3.45Å
126	K	82.8	Confident	78.6	Confident	207 Å²	207	107.4 Å²	107.4	90%	0.9	55%	0.552	S	S	*	*			trans	59.6	13.1	-174.1	-53.2	179.1	-178.6	175.3	0	115.6
127	L	86.1	Confident	80.9	Confident	25 Å²	25	103.8 Å²	103.8	13%	0.131	53%	0.532	C	S	.	.			trans	-82.1	142.8	171.7	-72.4	170.3	0	0	0	111.1	P56 T125 Q131 Y132 T333 Y335	P56-L127 HydrophobicContact CG-CD1 3.91Å; T125-L127 PolarHBondContact O-N 3.03Å; T125-L127 VanDerWaalsContact O-N 3.16Å; L127-Q131 HydrophobicContact CD2-CB 4.14Å; L127-Y132 HydrophobicContact CB-CD2 4.01Å; L127-Y132 HydrophobicContact CB-CE2 3.47Å; L127-Y132 VanDerWaalsContact CB-CE2 3.47Å; L127-Y132 HydrophobicContact CD1-CE1 4.13Å; L127-Y132 HydrophobicContact CD1-CE2 4.17Å; L127-Y132 HydrophobicContact CG-CE2 4.48Å; L127-T333 WeakPolarHBondContact CD2-O 3.27Å; L127-Y335 HydrophobicContact CD1-CD2 4.12Å; L127-Y335 HydrophobicContact CD1-CE2 4.16Å; L127-Y335 HydrophobicContact CG-CD2 4.48Å; L127-Y335 HydrophobicContact CG-CE2 4.29Å
128	D	89.9	Confident	82.7	Confident	97 Å²	97	98.4 Å²	98.4	52%	0.519	51%	0.508	S	S	.	.			trans	-79.9	156.2	168.4	177.4	53.9	0	0	0	112.1	Q130 Q131 Y132	D128-Q130 VanDerWaalsContact C-N 3.27Å; D128-Q130 PolarHBondContact O-N 3.07Å; D128-Q130 VanDerWaalsContact OD2-CB 3.29Å; D128-Q130 WeakPolarHBondContact OD2-CB 3.47Å; D128-Q130 PolarHBondContact OD2-N 2.89Å; D128-Q131 HydrophobicContact CB-CG 4.5Å; D128-Q131 WeakPolarHBondContact O-CB 3.06Å; D128-Q131 PolarHBondContact O-N 2.94Å; D128-Y132 WeakPolarHBondContact O-CD2 3.41Å; D128-Y132 PolarHBondContact O-N 3.33Å
129	F	89.3	Confident	84.2	Confident	154 Å²	154	93 Å²	93	68%	0.675	47%	0.473	S	S	*	.	H	α-helix	trans	-57	-37.9	177.9	-176.6	-100.9	0	0	0	112.9	Q131 Y132 V133	F129-Q131 VanDerWaalsContact C-N 3.28Å; F129-Q131 PolarHBondContact O-N 2.95Å; F129-Y132 WeakPolarHBondContact O-CB 3.44Å; F129-Y132 PolarHBondContact O-N 2.95Å; F129-Y132 VanDerWaalsContact O-N 3.16Å; F129-V133 HydrophobicContact CD1-CG2 4.16Å; F129-V133 HydrophobicContact CE1-CG2 3.71Å; F129-V133 HydrophobicContact CZ-CG2 3.98Å; F129-V133 PolarHBondContact O-N 3.11Å
130	Q	90.3	Very high	85.6	Confident	129 Å²	129	90.3 Å²	90.3	60%	0.603	45%	0.449	S	S	*	.	H	α-helix	trans	-67.4	-30.5	178.3	-170.1	63.6	9.7	0	0	112.1	D128 V133 F134	D128-Q130 VanDerWaalsContact C-N 3.27Å; D128-Q130 PolarHBondContact O-N 3.07Å; D128-Q130 VanDerWaalsContact OD2-CB 3.29Å; D128-Q130 WeakPolarHBondContact OD2-CB 3.47Å; D128-Q130 PolarHBondContact OD2-N 2.89Å; Q130-V133 PolarHBondContact O-N 3.46Å; Q130-F134 PolarHBondContact O-N 3.34Å
131	Q	89.1	Confident	86.5	Confident	63 Å²	63	88.9 Å²	88.9	29%	0.294	43%	0.431	S	S	.	.	H	α-helix	trans	-69	-38.8	172.6	-64.5	174.6	-62.4	0	0	111.2	L127 D128 F129 F134 V135 L332	L127-Q131 HydrophobicContact CD2-CB 4.14Å; D128-Q131 HydrophobicContact CB-CG 4.5Å; D128-Q131 WeakPolarHBondContact O-CB 3.06Å; D128-Q131 PolarHBondContact O-N 2.94Å; F129-Q131 VanDerWaalsContact C-N 3.28Å; F129-Q131 PolarHBondContact O-N 2.95Å; Q131-F134 PolarHBondContact O-N 2.86Å; Q131-V135 VanDerWaalsContact O-CG2 3.29Å; Q131-V135 WeakPolarHBondContact O-CG2 3.15Å; Q131-V135 PolarHBondContact O-N 3.12Å; Q131-L332 PolarHBondContact NE2-O 2.88Å
132	Y	89.7	Confident	87	Confident	44 Å²	44	83.8 Å²	83.8	17%	0.173	42%	0.416	C	S	.	.	H	α-helix	trans	-61.1	-44	172.6	-80.9	-76	0	0	0	112.4	L55 T125 L127 D128 F129 F134 V135 N136	L55-Y132 HydrophobicContact CD2-CD1 4.42Å; L55-Y132 HydrophobicContact CD2-CE1 3.77Å; T125-Y132 WeakPolarHBondContact CB-OH 3.44Å; T125-Y132 WeakPolarHBondContact CG2-OH 3.12Å; T125-Y132 PolarHBondContact OG1-OH 3.05Å; L127-Y132 HydrophobicContact CB-CD2 4.01Å; L127-Y132 HydrophobicContact CB-CE2 3.47Å; L127-Y132 VanDerWaalsContact CB-CE2 3.47Å; L127-Y132 HydrophobicContact CD1-CE1 4.13Å; L127-Y132 HydrophobicContact CD1-CE2 4.17Å; L127-Y132 HydrophobicContact CG-CE2 4.48Å; D128-Y132 WeakPolarHBondContact O-CD2 3.41Å; D128-Y132 PolarHBondContact O-N 3.33Å; F129-Y132 WeakPolarHBondContact O-CB 3.44Å; F129-Y132 PolarHBondContact O-N 2.95Å; F129-Y132 VanDerWaalsContact O-N 3.16Å; Y132-F134 VanDerWaalsContact C-N 3.32Å; Y132-F134 PolarHBondContact O-N 3.35Å; Y132-V135 PolarHBondContact O-N 3.27Å; Y132-N136 WeakPolarHBondContact O-CB 3.42Å; Y132-N136 PolarHBondContact O-N 2.76Å; Y132-N136 PolarHBondContact O-ND2 3.11Å; Y132-N136 PolarHBondContact O-OD1 2.97Å
133	V	90	Very high	87.4	Confident	62 Å²	62	81.5 Å²	81.5	38%	0.376	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-41	175.8	175.6	0	0	0	0	111.4	F129 Q130 N136 Q137	F129-V133 HydrophobicContact CD1-CG2 4.16Å; F129-V133 HydrophobicContact CE1-CG2 3.71Å; F129-V133 HydrophobicContact CZ-CG2 3.98Å; F129-V133 PolarHBondContact O-N 3.11Å; Q130-V133 PolarHBondContact O-N 3.46Å; V133-N136 PolarHBondContact O-N 2.91Å; V133-Q137 PolarHBondContact O-N 2.86Å; V133-Q137 VanDerWaalsContact O-N 3.09Å
134	F	90.1	Very high	87.6	Confident	83 Å²	83	77 Å²	77	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-45.5	175	176.3	-100.5	0	0	0	112.9	Q130 Q131 Y132 Q137 M138 I329 L332	Q130-F134 PolarHBondContact O-N 3.34Å; Q131-F134 PolarHBondContact O-N 2.86Å; Y132-F134 VanDerWaalsContact C-N 3.32Å; Y132-F134 PolarHBondContact O-N 3.35Å; F134-Q137 PolarHBondContact O-N 3.12Å; F134-M138 HydrophobicContact CE1-CE 4.41Å; F134-M138 HydrophobicContact CE2-CE 4.31Å; F134-M138 HydrophobicContact CZ-CE 3.75Å; F134-M138 WeakPolarHBondContact O-CB 3.34Å; F134-M138 PolarHBondContact O-N 2.87Å; F134-I329 HydrophobicContact CE1-CB 4.43Å; F134-I329 HydrophobicContact CE1-CD1 4.18Å; F134-I329 HydrophobicContact CE1-CG2 4.08Å; F134-I329 HydrophobicContact CZ-CG2 4.48Å; F134-L332 HydrophobicContact CE1-CD2 4.04Å; F134-L332 HydrophobicContact CZ-CD2 4.19Å
135	V	89.9	Confident	87.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-46.5	175.9	171.5	0	0	0	0	110.8	C54 Q131 Y132 Q137 M138 C139 I329 T333 F338	C54-V135 HydrophobicContact CB-CG1 3.74Å; Q131-V135 VanDerWaalsContact O-CG2 3.29Å; Q131-V135 WeakPolarHBondContact O-CG2 3.15Å; Q131-V135 PolarHBondContact O-N 3.12Å; Y132-V135 PolarHBondContact O-N 3.27Å; V135-Q137 VanDerWaalsContact C-N 3.3Å; V135-Q137 PolarHBondContact O-N 3.39Å; V135-M138 PolarHBondContact O-N 2.93Å; V135-C139 WeakPolarHBondContact O-CB 3.38Å; V135-C139 PolarHBondContact O-N 3.24Å; V135-I329 HydrophobicContact CG2-CD1 3.93Å; V135-T333 HydrophobicContact CG2-CG2 3.83Å; V135-F338 HydrophobicContact CB-CE1 4.42Å; V135-F338 HydrophobicContact CG1-CB 4.43Å; V135-F338 HydrophobicContact CG1-CD1 3.49Å; V135-F338 VanDerWaalsContact CG1-CD1 3.49Å; V135-F338 HydrophobicContact CG1-CD2 4.26Å; V135-F338 HydrophobicContact CG1-CE1 3.68Å; V135-F338 HydrophobicContact CG1-CE2 4.43Å; V135-F338 HydrophobicContact CG1-CG 3.81Å; V135-F338 HydrophobicContact CG1-CZ 4.15Å; V135-F338 HydrophobicContact CG2-CE1 3.86Å; V135-F338 HydrophobicContact CG2-CZ 3.94Å
136	N	90.8	Very high	88.2	Confident	37 Å²	37	72.6 Å²	72.6	20%	0.198	35%	0.346	C	S	.	.	H	α-helix	trans	-56.1	-45.3	177.6	-69	-8.3	0	0	0	111.2	V52 C54 Y132 V133 Y140	V52-N136 WeakPolarHBondContact O-CB 3.28Å; V52-N136 PolarHBondContact O-ND2 2.94Å; C54-N136 WeakPolarHBondContact CB-OD1 3.47Å; C54-N136 PolarHBondContact N-OD1 3.12Å; Y132-N136 WeakPolarHBondContact O-CB 3.42Å; Y132-N136 PolarHBondContact O-N 2.76Å; Y132-N136 PolarHBondContact O-ND2 3.11Å; Y132-N136 PolarHBondContact O-OD1 2.97Å; V133-N136 PolarHBondContact O-N 2.91Å; N136-Y140 VanDerWaalsContact O-CB 3.24Å; N136-Y140 WeakPolarHBondContact O-CB 3.42Å; N136-Y140 PolarHBondContact O-N 3.46Å
137	Q	89.5	Confident	88.4	Confident	112 Å²	112	64.2 Å²	64.2	52%	0.523	31%	0.309	S	S	.	.	H	α-helix	trans	-69.7	-39.6	178.7	-173.8	66.8	-1.3	0	0	112.5	V133 F134 V135 H141	V133-Q137 PolarHBondContact O-N 2.86Å; V133-Q137 VanDerWaalsContact O-N 3.09Å; F134-Q137 PolarHBondContact O-N 3.12Å; V135-Q137 VanDerWaalsContact C-N 3.3Å; V135-Q137 PolarHBondContact O-N 3.39Å; Q137-H141 PolarHBondContact NE2-NE2 3.07Å; Q137-H141 PolarHBondContact O-CD2 3.42Å; Q137-H141 PolarHBondContact O-N 2.89Å
138	M	88.3	Confident	88.4	Confident	63 Å²	63	63.1 Å²	63.1	31%	0.31	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-49.2	176.8	-174.5	63.6	77.9	0	0	111.1	F134 V135 Y140 H141 V142 P327 I329	F134-M138 HydrophobicContact CE1-CE 4.41Å; F134-M138 HydrophobicContact CE2-CE 4.31Å; F134-M138 HydrophobicContact CZ-CE 3.75Å; F134-M138 WeakPolarHBondContact O-CB 3.34Å; F134-M138 PolarHBondContact O-N 2.87Å; V135-M138 PolarHBondContact O-N 2.93Å; M138-Y140 PolarHBondContact O-N 3.05Å; M138-H141 PolarHBondContact O-N 2.6Å; M138-H141 VanDerWaalsContact O-N 3.08Å; M138-V142 HydrophobicContact CG-CG2 4.45Å; M138-V142 WeakPolarHBondContact O-CG2 3.24Å; M138-V142 PolarHBondContact O-N 3.05Å; M138-V142 HydrophobicContact SD-CG2 4.26Å; M138-P327 HydrophobicContact CG-CB 3.97Å; M138-I329 HydrophobicContact CE-CG2 4.09Å; M138-I329 HydrophobicContact CG-CG2 4.42Å
139	C	88.8	Confident	88.2	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-70.7	-28.3	178.5	-70.9	0	0	0	0	113.3	C54 V135 H141 A143 C325 C340	C54-C139 WeakPolarHBondContact SG-CB 3.32Å; V135-C139 WeakPolarHBondContact O-CB 3.38Å; V135-C139 PolarHBondContact O-N 3.24Å; C139-H141 VanDerWaalsContact C-N 3.29Å; C139-H141 PolarHBondContact O-N 3.48Å; C139-A143 WeakPolarHBondContact O-CB 3.4Å; C139-A143 PolarHBondContact O-N 2.97Å; C139-C325 WeakPolarHBondContact CA-SG 3.16Å; C139-C325 HydrophobicContact CB-CB 3.74Å; C139-C325 WeakPolarHBondContact CB-SG 3.31Å; C139-C325 WeakPolarHBondContact SG-CB 3.48Å; C139-C325 CovalentContact SG-SG 2.04Å; C139-C325 PolarHBondContact SG-SG 3.01Å; C139-C340 VanDerWaalsContact CB-SG 3.55Å
140	Y	89.4	Confident	88.3	Confident	49 Å²	49	58 Å²	58	19%	0.192	27%	0.274	C	S	.	.	H	α-helix	trans	-55.8	-46.3	165.6	179.2	-86.2	0	0	0	110.2	D50 V52 N136 M138 L144 K149	D50-Y140 PolarHBondContact OD2-OH 2.88Å; V52-Y140 HydrophobicContact CG2-CD2 3.87Å; N136-Y140 VanDerWaalsContact O-CB 3.24Å; N136-Y140 WeakPolarHBondContact O-CB 3.42Å; N136-Y140 PolarHBondContact O-N 3.46Å; M138-Y140 PolarHBondContact O-N 3.05Å; Y140-L144 HydrophobicContact CD2-CD1 3.54Å; Y140-L144 HydrophobicContact CE2-CD1 3.72Å; Y140-L144 HydrophobicContact CG-CD1 4.3Å; Y140-L144 WeakPolarHBondContact O-CB 3.35Å; Y140-K149 HydrophobicContact CE1-CD 4.42Å; Y140-K149 HydrophobicContact CE1-CG 4.32Å; Y140-K149 WeakPolarHBondContact O-CE 3.16Å; Y140-K149 PolarHBondContact O-NZ 3.23Å
141	H	87.8	Confident	88.3	Confident	104 Å²	104	52.5 Å²	52.5	48%	0.481	25%	0.249	S	C	.	.	H	α-helix	trans	-72.3	-44.8	178.1	-72.5	-61.3	0	0	0	113.6	Q137 M138 C139 K149	Q137-H141 PolarHBondContact NE2-NE2 3.07Å; Q137-H141 PolarHBondContact O-CD2 3.42Å; Q137-H141 PolarHBondContact O-N 2.89Å; M138-H141 PolarHBondContact O-N 2.6Å; M138-H141 VanDerWaalsContact O-N 3.08Å; C139-H141 VanDerWaalsContact C-N 3.29Å; C139-H141 PolarHBondContact O-N 3.48Å; H141-K149 PolarHBondContact O-NZ 3.21Å
142	V	87.1	Confident	88.3	Confident	88 Å²	88	49.6 Å²	49.6	53%	0.533	24%	0.235	S	C	.	.	H	α-helix	trans	-79.9	-48.5	-172.8	177	0	0	0	0	113.9	M138	M138-V142 HydrophobicContact CG-CG2 4.45Å; M138-V142 WeakPolarHBondContact O-CG2 3.24Å; M138-V142 PolarHBondContact O-N 3.05Å; M138-V142 HydrophobicContact SD-CG2 4.26Å
143	A	84.9	Confident	88.4	Confident	25 Å²	25	52 Å²	52	21%	0.207	24%	0.244	C	C	.	.	H	α-helix	trans	-93.2	-30.8	-167.1	0	0	0	0	0	114.4	C139 P145 H323 C325	C139-A143 WeakPolarHBondContact O-CB 3.4Å; C139-A143 PolarHBondContact O-N 2.97Å; A143-P145 WeakPolarHBondContact O-CD 3.34Å; A143-H323 HydrophobicContact CB-CB 4.46Å; A143-C325 HydrophobicContact CB-CB 3.74Å
144	L	85.8	Confident	88.4	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.047	24%	0.239	C	C	.	.	S	Bend	trans	-72.5	127.6	178.7	-97.3	174	0	0	0	111.9	V52 Y140 K149 H323 H342	V52-L144 HydrophobicContact CG2-CD1 3.4Å; V52-L144 VanDerWaalsContact CG2-CD1 3.4Å; V52-L144 HydrophobicContact CG2-CG 4.15Å; Y140-L144 HydrophobicContact CD2-CD1 3.54Å; Y140-L144 HydrophobicContact CE2-CD1 3.72Å; Y140-L144 HydrophobicContact CG-CD1 4.3Å; Y140-L144 WeakPolarHBondContact O-CB 3.35Å; L144-K149 WeakPolarHBondContact O-CE 3.5Å; L144-K149 PolarHBondContact O-NZ 2.98Å; L144-H323 WeakPolarHBondContact CD2-NE2 3.5Å; L144-H342 HydrophobicContact CD2-CB 4.18Å
145	P	85.9	Confident	88.5	Confident	33 Å²	33	47.4 Å²	47.4	21%	0.214	22%	0.221	C	C	.	.			trans	-61	146.3	173.8	-24.2	34.7	0	0	0	113.5	A143 Y147 S148	A143-P145 WeakPolarHBondContact O-CD 3.34Å; P145-Y147 VanDerWaalsContact C-N 3.28Å; P145-Y147 HydrophobicContact CB-CD1 4.01Å; P145-Y147 HydrophobicContact CB-CD2 4.18Å; P145-Y147 HydrophobicContact CB-CE1 3.45Å; P145-Y147 VanDerWaalsContact CB-CE1 3.45Å; P145-Y147 HydrophobicContact CB-CE2 3.63Å; P145-Y147 HydrophobicContact CB-CG 4.33Å; P145-Y147 WeakPolarHBondContact CB-OH 3.36Å; P145-Y147 HydrophobicContact CG-CE1 4.36Å; P145-Y147 HydrophobicContact CG-CE2 4.14Å; P145-Y147 WeakPolarHBondContact CG-OH 3.45Å; P145-Y147 PolarHBondContact O-N 2.91Å; P145-S148 WeakPolarHBondContact O-CB 3.25Å; P145-S148 PolarHBondContact O-N 2.92Å
146	W	87.5	Confident	88.5	Confident	139 Å²	139	48.9 Å²	48.9	53%	0.527	23%	0.229	S	C	.	.	H	α-helix	trans	-59.9	-32.9	-175.8	66.1	-93.5	0	0	0	113.8	S148 K149 Y150 L154 F315	W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.05Å; W146-K149 PolarHBondContact O-N 3.36Å; W146-Y150 HydrophobicContact CB-CD2 4.16Å; W146-Y150 HydrophobicContact CB-CE2 4.49Å; W146-Y150 WeakPolarHBondContact O-CB 3.35Å; W146-Y150 WeakPolarHBondContact O-CD2 3.35Å; W146-Y150 PolarHBondContact O-N 3.42Å; W146-L154 HydrophobicContact CE3-CD1 4.49Å; W146-L154 HydrophobicContact CZ3-CD1 3.8Å; W146-F315 HydrophobicContact CH2-CE1 4.47Å; W146-F315 AromaticContact CH2-CE2 3.52Å; W146-F315 HydrophobicContact CH2-CE2 3.52Å; W146-F315 AromaticContact CH2-CZ 3.36Å; W146-F315 HydrophobicContact CH2-CZ 3.36Å; W146-F315 HydrophobicContact CZ2-CE1 4.11Å; W146-F315 AromaticContact CZ2-CE2 3.96Å; W146-F315 HydrophobicContact CZ2-CE2 3.96Å; W146-F315 AromaticContact CZ2-CZ 3.38Å; W146-F315 HydrophobicContact CZ2-CZ 3.38Å; W146-F315 HydrophobicContact CZ3-CE2 4.14Å; W146-F315 HydrophobicContact CZ3-CZ 4.36Å
147	Y	86	Confident	88.5	Confident	31 Å²	31	51.8 Å²	51.8	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-31	177.3	48.1	-100.7	0	0	0	112.7	P145 K149 F151 F315 S318 I319	P145-Y147 VanDerWaalsContact C-N 3.28Å; P145-Y147 HydrophobicContact CB-CD1 4.01Å; P145-Y147 HydrophobicContact CB-CD2 4.18Å; P145-Y147 HydrophobicContact CB-CE1 3.45Å; P145-Y147 VanDerWaalsContact CB-CE1 3.45Å; P145-Y147 HydrophobicContact CB-CE2 3.63Å; P145-Y147 HydrophobicContact CB-CG 4.33Å; P145-Y147 WeakPolarHBondContact CB-OH 3.36Å; P145-Y147 HydrophobicContact CG-CE1 4.36Å; P145-Y147 HydrophobicContact CG-CE2 4.14Å; P145-Y147 WeakPolarHBondContact CG-OH 3.45Å; P145-Y147 PolarHBondContact O-N 2.91Å; Y147-K149 VanDerWaalsContact C-N 3.33Å; Y147-F151 WeakPolarHBondContact O-CB 3.14Å; Y147-F151 PolarHBondContact O-N 2.91Å; Y147-F315 VanDerWaalsContact CB-CD2 3.47Å; Y147-F315 AromaticContact CD1-CD1 3.78Å; Y147-F315 HydrophobicContact CD1-CD1 3.78Å; Y147-F315 HydrophobicContact CD1-CD2 4.34Å; Y147-F315 HydrophobicContact CD1-CE1 4.1Å; Y147-F315 AromaticContact CD1-CG 3.95Å; Y147-F315 HydrophobicContact CD1-CG 3.95Å; Y147-F315 HydrophobicContact CD2-CB 4.14Å; Y147-F315 HydrophobicContact CD2-CG 4.39Å; Y147-F315 HydrophobicContact CE1-CD1 4.25Å; Y147-F315 HydrophobicContact CG-CB 4.06Å; Y147-F315 HydrophobicContact CG-CD1 4.14Å; Y147-F315 HydrophobicContact CG-CD2 4.01Å; Y147-F315 AromaticContact CG-CG 3.8Å; Y147-F315 HydrophobicContact CG-CG 3.8Å; Y147-S318 WeakPolarHBondContact OH-CB 3.4Å; Y147-S318 PolarHBondContact OH-O 2.9Å; Y147-S318 PolarHBondContact OH-OG 2.93Å; Y147-I319 HydrophobicContact CD2-CG1 3.97Å; Y147-I319 HydrophobicContact CE2-CG1 3.81Å
148	S	86.1	Confident	88.7	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-36	174.4	-162.6	0	0	0	0	111.4	Q46 P145 W146 H342 L348	Q46-S148 PolarHBondContact NE2-O 2.84Å; P145-S148 WeakPolarHBondContact O-CB 3.25Å; P145-S148 PolarHBondContact O-N 2.92Å; W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.05Å; S148-H342 PolarHBondContact OG-CE1 3.21Å; S148-H342 PolarHBondContact OG-ND1 3.26Å; S148-L348 WeakPolarHBondContact O-CD1 3.43Å
149	K	87.2	Confident	88.8	Confident	17 Å²	17	45.2 Å²	45.2	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-76.3	-32.8	178.1	-66	164.5	173	150.1	0	114.4	Q46 Y140 H141 L144 W146 Y147	Q46-K149 PolarHBondContact NE2-O 2.79Å; Q46-K149 PolarHBondContact OE1-O 2.89Å; Y140-K149 HydrophobicContact CE1-CD 4.42Å; Y140-K149 HydrophobicContact CE1-CG 4.32Å; Y140-K149 WeakPolarHBondContact O-CE 3.16Å; Y140-K149 PolarHBondContact O-NZ 3.23Å; H141-K149 PolarHBondContact O-NZ 3.21Å; L144-K149 WeakPolarHBondContact O-CE 3.5Å; L144-K149 PolarHBondContact O-NZ 2.98Å; W146-K149 PolarHBondContact O-N 3.36Å; Y147-K149 VanDerWaalsContact C-N 3.33Å
150	Y	90.3	Very high	88.8	Confident	126 Å²	126	47.7 Å²	47.7	49%	0.494	22%	0.224	S	C	.	.	H	α-helix	trans	-120.6	-5.4	-164.8	-60.3	-58.8	0	0	0	115.6	W146 Y153 L154	W146-Y150 HydrophobicContact CB-CD2 4.16Å; W146-Y150 HydrophobicContact CB-CE2 4.49Å; W146-Y150 WeakPolarHBondContact O-CB 3.35Å; W146-Y150 WeakPolarHBondContact O-CD2 3.35Å; W146-Y150 PolarHBondContact O-N 3.42Å; Y150-Y153 HydrophobicContact CD1-CD2 4.47Å; Y150-Y153 PolarHBondContact O-N 3.31Å; Y150-L154 WeakPolarHBondContact O-CG 3.47Å; Y150-L154 PolarHBondContact O-N 3.4Å; Y150-L154 VanDerWaalsContact O-N 3.07Å
151	F	89.6	Confident	88.8	Confident	14 Å²	14	48.5 Å²	48.5	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-48.4	-48.8	-179.7	160.6	-112.4	0	0	0	114.5	Y147 Y153 L154 A155 L348 L352 Y355	Y147-F151 WeakPolarHBondContact O-CB 3.14Å; Y147-F151 PolarHBondContact O-N 2.91Å; F151-Y153 VanDerWaalsContact C-N 3.34Å; F151-Y153 PolarHBondContact O-N 3.29Å; F151-L154 PolarHBondContact O-N 3.32Å; F151-A155 HydrophobicContact CD2-CB 4.43Å; F151-A155 HydrophobicContact CE2-CB 3.93Å; F151-A155 HydrophobicContact CZ-CB 4.26Å; F151-A155 WeakPolarHBondContact O-CB 3.1Å; F151-A155 PolarHBondContact O-N 3.23Å; F151-L348 HydrophobicContact CB-CD2 4.46Å; F151-L348 HydrophobicContact CD1-CD2 4.04Å; F151-L348 HydrophobicContact CD1-CG 4.11Å; F151-L348 HydrophobicContact CG-CD2 4.5Å; F151-L352 HydrophobicContact CD2-CD1 3.75Å; F151-L352 HydrophobicContact CE1-CB 4.23Å; F151-L352 HydrophobicContact CE2-CD1 3.4Å; F151-L352 VanDerWaalsContact CE2-CD1 3.4Å; F151-L352 HydrophobicContact CG-CD1 4.46Å; F151-L352 HydrophobicContact CZ-CB 4.17Å; F151-L352 HydrophobicContact CZ-CD1 3.84Å; F151-Y355 AromaticContact CE2-CD1 3.89Å; F151-Y355 HydrophobicContact CE2-CD1 3.89Å; F151-Y355 HydrophobicContact CE2-CE1 4.42Å; F151-Y355 HydrophobicContact CE2-CG 4.21Å; F151-Y355 HydrophobicContact CZ-CD1 4.25Å; F151-Y355 HydrophobicContact CZ-CG 4.12Å
152	P	90.3	Very high	88.8	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-34.8	-175.4	-23	36.3	0	0	0	113.4	S42 Q46 A155 L156	S42-P152 WeakPolarHBondContact OG-CG 3.1Å; Q46-P152 VanDerWaalsContact OE1-CG 3.26Å; P152-A155 PolarHBondContact O-N 2.94Å; P152-L156 WeakPolarHBondContact O-CB 3.41Å; P152-L156 PolarHBondContact O-N 3.16Å
153	Y	90.6	Very high	88.8	Confident	94 Å²	94	40 Å²	40	37%	0.369	19%	0.189	S	C	.	.	H	α-helix	trans	-68.9	-39.4	176.6	-55	-87.3	0	0	0	111.1	L47 Y150 F151 L156 I157	L47-Y153 WeakPolarHBondContact CD2-OH 3.27Å; Y150-Y153 HydrophobicContact CD1-CD2 4.47Å; Y150-Y153 PolarHBondContact O-N 3.31Å; F151-Y153 VanDerWaalsContact C-N 3.34Å; F151-Y153 PolarHBondContact O-N 3.29Å; Y153-L156 PolarHBondContact O-N 3.25Å; Y153-I157 WeakPolarHBondContact O-CD1 3.27Å; Y153-I157 VanDerWaalsContact O-CG1 3.27Å; Y153-I157 WeakPolarHBondContact O-CG1 3.34Å; Y153-I157 PolarHBondContact O-N 2.65Å
154	L	91.6	Very high	88.8	Confident	49 Å²	49	42.2 Å²	42.2	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-65.1	-48.1	172.7	-67.6	163.7	0	0	0	110.9	W146 Y150 F151 L156 I157 H158	W146-L154 HydrophobicContact CE3-CD1 4.49Å; W146-L154 HydrophobicContact CZ3-CD1 3.8Å; Y150-L154 WeakPolarHBondContact O-CG 3.47Å; Y150-L154 PolarHBondContact O-N 3.4Å; Y150-L154 VanDerWaalsContact O-N 3.07Å; F151-L154 PolarHBondContact O-N 3.32Å; L154-L156 VanDerWaalsContact C-N 3.26Å; L154-L156 PolarHBondContact O-N 2.98Å; L154-I157 PolarHBondContact O-N 2.93Å; L154-I157 VanDerWaalsContact O-N 3.16Å; L154-H158 WeakPolarHBondContact O-CB 3.33Å; L154-H158 PolarHBondContact O-CD2 2.86Å; L154-H158 PolarHBondContact O-N 2.95Å
155	A	90.8	Very high	88.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-39.2	176.2	0	0	0	0	0	112.2	A39 F151 P152 T159 Y355	A39-A155 HydrophobicContact CB-CB 4Å; F151-A155 HydrophobicContact CD2-CB 4.43Å; F151-A155 HydrophobicContact CE2-CB 3.93Å; F151-A155 HydrophobicContact CZ-CB 4.26Å; F151-A155 WeakPolarHBondContact O-CB 3.1Å; F151-A155 PolarHBondContact O-N 3.23Å; P152-A155 PolarHBondContact O-N 2.94Å; A155-T159 WeakPolarHBondContact O-CB 3.28Å; A155-T159 PolarHBondContact O-N 2.77Å; A155-T159 PolarHBondContact O-OG1 3.43Å; A155-Y355 HydrophobicContact CB-CD2 4.27Å; A155-Y355 HydrophobicContact CB-CE1 4.22Å; A155-Y355 HydrophobicContact CB-CE2 3.83Å; A155-Y355 PolarHBondContact O-OH 3.15Å
156	L	90.8	Very high	88.7	Confident	30 Å²	30	41.4 Å²	41.4	16%	0.157	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-51.7	173.6	179.2	61.9	0	0	0	111.7	L36 A39 I40 P152 Y153 L154 H158 T159 I160	L36-L156 HydrophobicContact CD1-CD1 3.42Å; L36-L156 VanDerWaalsContact CD1-CD1 3.42Å; A39-L156 HydrophobicContact CB-CB 4.08Å; I40-L156 HydrophobicContact CG1-CD1 4.27Å; P152-L156 WeakPolarHBondContact O-CB 3.41Å; P152-L156 PolarHBondContact O-N 3.16Å; Y153-L156 PolarHBondContact O-N 3.25Å; L154-L156 VanDerWaalsContact C-N 3.26Å; L154-L156 PolarHBondContact O-N 2.98Å; L156-H158 PolarHBondContact O-N 2.98Å; L156-T159 PolarHBondContact O-N 3.26Å; L156-I160 HydrophobicContact CD1-CD1 3.86Å; L156-I160 HydrophobicContact CD1-CG1 4.33Å; L156-I160 HydrophobicContact CG-CD1 3.96Å; L156-I160 WeakPolarHBondContact O-CG1 3.43Å; L156-I160 PolarHBondContact O-N 3.39Å
157	I	91.4	Very high	88.5	Confident	99 Å²	99	35 Å²	35	51%	0.508	17%	0.172	S	C	.	.	H	α-helix	trans	-59.1	-47.3	178.7	-69.6	163.9	0	0	0	110.9	Y153 L154 T159 I160 V161	Y153-I157 WeakPolarHBondContact O-CD1 3.27Å; Y153-I157 VanDerWaalsContact O-CG1 3.27Å; Y153-I157 WeakPolarHBondContact O-CG1 3.34Å; Y153-I157 PolarHBondContact O-N 2.65Å; L154-I157 PolarHBondContact O-N 2.93Å; L154-I157 VanDerWaalsContact O-N 3.16Å; I157-T159 VanDerWaalsContact C-N 3.33Å; I157-T159 PolarHBondContact O-N 2.81Å; I157-I160 PolarHBondContact O-N 2.94Å; I157-V161 HydrophobicContact CG2-CG2 4.5Å; I157-V161 WeakPolarHBondContact O-CB 3.32Å; I157-V161 VanDerWaalsContact O-CG2 3.31Å; I157-V161 WeakPolarHBondContact O-CG2 3.49Å; I157-V161 PolarHBondContact O-N 3.26Å
158	H	91.8	Very high	88.6	Confident	37 Å²	37	38.2 Å²	38.2	17%	0.171	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-40.1	178.6	-70.8	-54.9	0	0	0	112.3	L154 L156 V161 L162 I308 Y311	L154-H158 WeakPolarHBondContact O-CB 3.33Å; L154-H158 PolarHBondContact O-CD2 2.86Å; L154-H158 PolarHBondContact O-N 2.95Å; L156-H158 PolarHBondContact O-N 2.98Å; H158-V161 PolarHBondContact O-N 3.17Å; H158-L162 WeakPolarHBondContact O-CG 3.24Å; H158-L162 PolarHBondContact O-N 3.35Å; H158-I308 HydrophobicContact CB-CD1 3.8Å; H158-I308 HydrophobicContact CB-CG1 4.48Å; H158-Y311 PolarHBondContact CD2-OH 2.96Å; H158-Y311 AromaticContact NE2-CZ 3.88Å; H158-Y311 PolarHBondContact NE2-OH 2.98Å; H158-Y311 VanDerWaalsContact NE2-OH 3.07Å
159	T	90.6	Very high	88.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.2	-42.6	178.3	-53	0	0	0	0	111.8	G32 M35 L36 A155 L156 I157 V161 L162 M163	G32-T159 VanDerWaalsContact O-CG2 3.23Å; G32-T159 WeakPolarHBondContact O-CG2 3.43Å; M35-T159 HydrophobicContact CB-CG2 3.77Å; M35-T159 HydrophobicContact CE-CG2 4.32Å; L36-T159 HydrophobicContact CB-CG2 3.93Å; A155-T159 WeakPolarHBondContact O-CB 3.28Å; A155-T159 PolarHBondContact O-N 2.77Å; A155-T159 PolarHBondContact O-OG1 3.43Å; L156-T159 PolarHBondContact O-N 3.26Å; I157-T159 VanDerWaalsContact C-N 3.33Å; I157-T159 PolarHBondContact O-N 2.81Å; T159-V161 PolarHBondContact O-N 3.04Å; T159-L162 PolarHBondContact O-N 3.43Å; T159-M163 HydrophobicContact CG2-CG 4.43Å; T159-M163 HydrophobicContact CG2-SD 3.93Å; T159-M163 WeakPolarHBondContact O-CG 3.39Å; T159-M163 PolarHBondContact O-N 3.27Å
160	I	88.8	Confident	88.5	Confident	52 Å²	52	37.6 Å²	37.6	27%	0.267	18%	0.184	S	C	.	.	H	α-helix	trans	-60.8	-45	174.4	-68.3	168.3	0	0	0	110.7	V7 L10 L156 I157 L162 M163 V164	V7-I160 HydrophobicContact CG1-CD1 4.04Å; V7-I160 HydrophobicContact CG1-CG1 3.89Å; L10-I160 HydrophobicContact CD1-CG2 4.43Å; L156-I160 HydrophobicContact CD1-CD1 3.86Å; L156-I160 HydrophobicContact CD1-CG1 4.33Å; L156-I160 HydrophobicContact CG-CD1 3.96Å; L156-I160 WeakPolarHBondContact O-CG1 3.43Å; L156-I160 PolarHBondContact O-N 3.39Å; I157-I160 PolarHBondContact O-N 2.94Å; I160-L162 VanDerWaalsContact C-N 3.35Å; I160-L162 PolarHBondContact O-N 2.88Å; I160-M163 PolarHBondContact O-N 3.46Å; I160-V164 HydrophobicContact CG2-CG2 4.29Å; I160-V164 WeakPolarHBondContact O-CB 2.97Å; I160-V164 WeakPolarHBondContact O-CG2 3.35Å; I160-V164 PolarHBondContact O-N 2.78Å
161	V	89.5	Confident	88.2	Confident	66 Å²	66	36.9 Å²	36.9	40%	0.4	18%	0.183	S	C	.	.	H	α-helix	trans	-60.5	-42.8	177	168.2	0	0	0	0	111.5	I157 H158 T159 S165	I157-V161 HydrophobicContact CG2-CG2 4.5Å; I157-V161 WeakPolarHBondContact O-CB 3.32Å; I157-V161 VanDerWaalsContact O-CG2 3.31Å; I157-V161 WeakPolarHBondContact O-CG2 3.49Å; I157-V161 PolarHBondContact O-N 3.26Å; H158-V161 PolarHBondContact O-N 3.17Å; T159-V161 PolarHBondContact O-N 3.04Å; V161-S165 VanDerWaalsContact O-CB 3.27Å; V161-S165 WeakPolarHBondContact O-CB 3.47Å; V161-S165 PolarHBondContact O-N 3.06Å; V161-S165 PolarHBondContact O-OG 3.28Å
162	L	89.1	Confident	88.2	Confident	4 Å²	4	40 Å²	40	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-48.2	176.3	-71.9	172	0	0	0	111.7	M35 H158 T159 I160 V164 S165 S166 K301 K304 I308 I359 Y362	M35-L162 HydrophobicContact CE-CD1 3.96Å; H158-L162 WeakPolarHBondContact O-CG 3.24Å; H158-L162 PolarHBondContact O-N 3.35Å; T159-L162 PolarHBondContact O-N 3.43Å; I160-L162 VanDerWaalsContact C-N 3.35Å; I160-L162 PolarHBondContact O-N 2.88Å; L162-V164 PolarHBondContact O-N 2.93Å; L162-S165 WeakPolarHBondContact CA-OG 3.42Å; L162-S165 PolarHBondContact O-N 2.94Å; L162-S165 PolarHBondContact O-OG 3.42Å; L162-S166 PolarHBondContact O-N 3.5Å; L162-K301 HydrophobicContact CD2-CG 4.34Å; L162-K304 HydrophobicContact CD2-CB 4.31Å; L162-I308 HydrophobicContact CD1-CD1 4.45Å; L162-I359 HydrophobicContact CD1-CD1 4.45Å; L162-Y362 HydrophobicContact CD1-CD1 4.46Å; L162-Y362 HydrophobicContact CD1-CE1 4.16Å; L162-Y362 HydrophobicContact CD2-CE1 3.85Å; L162-Y362 HydrophobicContact CG-CE1 4.46Å
163	M	86.3	Confident	88	Confident	9 Å²	9	44.6 Å²	44.6	4%	0.044	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-42.8	178.6	-70.9	171.3	67.1	0	0	112.7	N11 I33 L36 T159 I160 S166 N167	N11-M163 HydrophobicContact CB-CE 3.77Å; I33-M163 HydrophobicContact CG1-CE 4.46Å; L36-M163 HydrophobicContact CB-SD 4.38Å; L36-M163 HydrophobicContact CD2-CE 4.15Å; L36-M163 HydrophobicContact CD2-SD 4.11Å; T159-M163 HydrophobicContact CG2-CG 4.43Å; T159-M163 HydrophobicContact CG2-SD 3.93Å; T159-M163 WeakPolarHBondContact O-CG 3.39Å; T159-M163 PolarHBondContact O-N 3.27Å; I160-M163 PolarHBondContact O-N 3.46Å; M163-S166 PolarHBondContact O-N 3.42Å; M163-N167 PolarHBondContact O-ND2 3.13Å; M163-N167 VanDerWaalsContact O-ND2 3.11Å
164	V	85.9	Confident	87.8	Confident	73 Å²	73	46.9 Å²	46.9	44%	0.442	24%	0.237	S	C	.	.	H	α-helix	trans	-66.6	-38.6	175.5	173.5	0	0	0	0	110.8	I160 L162 S166 N167 F168	I160-V164 HydrophobicContact CG2-CG2 4.29Å; I160-V164 WeakPolarHBondContact O-CB 2.97Å; I160-V164 WeakPolarHBondContact O-CG2 3.35Å; I160-V164 PolarHBondContact O-N 2.78Å; L162-V164 PolarHBondContact O-N 2.93Å; V164-S166 VanDerWaalsContact C-N 3.3Å; V164-S166 PolarHBondContact O-N 3.02Å; V164-N167 PolarHBondContact O-N 3.06Å; V164-F168 PolarHBondContact O-N 3.14Å
165	S	86.1	Confident	87.7	Confident	20 Å²	20	44.5 Å²	44.5	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-23.9	177.4	77.3	0	0	0	0	114.5	V161 L162 N167 Q297 K301	V161-S165 VanDerWaalsContact O-CB 3.27Å; V161-S165 WeakPolarHBondContact O-CB 3.47Å; V161-S165 PolarHBondContact O-N 3.06Å; V161-S165 PolarHBondContact O-OG 3.28Å; L162-S165 WeakPolarHBondContact CA-OG 3.42Å; L162-S165 PolarHBondContact O-N 2.94Å; L162-S165 PolarHBondContact O-OG 3.42Å; S165-N167 VanDerWaalsContact C-N 3.35Å; S165-Q297 PolarHBondContact O-OE1 3.42Å; S165-K301 WeakPolarHBondContact OG-CG 3.39Å
166	S	83.2	Confident	87.6	Confident	5 Å²	5	45.8 Å²	45.8	4%	0.035	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-37.7	171.5	-71.9	0	0	0	0	112.7	L162 M163 V164 K301	L162-S166 PolarHBondContact O-N 3.5Å; M163-S166 PolarHBondContact O-N 3.42Å; V164-S166 VanDerWaalsContact C-N 3.3Å; V164-S166 PolarHBondContact O-N 3.02Å; S166-K301 VanDerWaalsContact OG-CE 3.29Å; S166-K301 WeakPolarHBondContact OG-CE 3.33Å; S166-K301 PolarHBondContact OG-NZ 3.09Å
167	N	83.6	Confident	87.5	Confident	4 Å²	4	48 Å²	48	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-109.4	2.8	-163.9	-58.6	-51	0	0	0	113.6	N11 I13 K21 M163 V164 S165 W169 F170 K171	N11-N167 PolarHBondContact OD1-ND2 2.9Å; I13-N167 HydrophobicContact CD1-CB 4.33Å; I13-N167 WeakPolarHBondContact CD1-OD1 3.49Å; K21-N167 PolarHBondContact NZ-OD1 2.88Å; M163-N167 PolarHBondContact O-ND2 3.13Å; M163-N167 VanDerWaalsContact O-ND2 3.11Å; V164-N167 PolarHBondContact O-N 3.06Å; S165-N167 VanDerWaalsContact C-N 3.35Å; N167-W169 VanDerWaalsContact C-N 3.33Å; N167-W169 PolarHBondContact O-N 2.91Å; N167-F170 PolarHBondContact O-N 2.66Å; N167-K171 PolarHBondContact O-N 3.16Å
168	F	86.4	Confident	87.4	Confident	98 Å²	98	44.7 Å²	44.7	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-43.9	-178.7	-174.1	-93.8	0	0	0	112.1	V164 F170 K171 Y172 L293	V164-F168 PolarHBondContact O-N 3.14Å; F168-F170 VanDerWaalsContact C-N 3.31Å; F168-F170 PolarHBondContact O-N 3.22Å; F168-K171 PolarHBondContact O-N 2.98Å; F168-K171 VanDerWaalsContact O-N 3.13Å; F168-Y172 AromaticContact CE1-CD2 3.95Å; F168-Y172 HydrophobicContact CE1-CD2 3.95Å; F168-Y172 AromaticContact CE1-CG 3.95Å; F168-Y172 HydrophobicContact CE1-CG 3.95Å; F168-Y172 AromaticContact CZ-CD2 3.73Å; F168-Y172 HydrophobicContact CZ-CD2 3.73Å; F168-Y172 HydrophobicContact CZ-CE2 4.39Å; F168-Y172 HydrophobicContact CZ-CG 4.19Å; F168-Y172 VanDerWaalsContact O-CB 3.3Å; F168-Y172 WeakPolarHBondContact O-CB 3.45Å; F168-Y172 PolarHBondContact O-N 2.55Å; F168-L293 HydrophobicContact CD1-CD1 3.86Å; F168-L293 HydrophobicContact CD1-CD2 3.95Å; F168-L293 HydrophobicContact CD1-CG 4.2Å; F168-L293 HydrophobicContact CE1-CD1 3.87Å; F168-L293 HydrophobicContact CE1-CD2 4.04Å; F168-L293 HydrophobicContact CE1-CG 4.48Å
169	W	86.7	Confident	87.4	Confident	1 Å²	1	43 Å²	43	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-27.6	-179.4	77.6	-75.5	0	0	0	114.6	L20 N167 T175 V179 I290 L293 Y294 Q297 L405 M408	L20-W169 HydrophobicContact CB-CH2 4.32Å; N167-W169 VanDerWaalsContact C-N 3.33Å; N167-W169 PolarHBondContact O-N 2.91Å; W169-T175 WeakPolarHBondContact O-CB 3.33Å; W169-T175 PolarHBondContact O-OG1 3.22Å; W169-V179 HydrophobicContact CE3-CG2 4.19Å; W169-V179 HydrophobicContact CZ3-CG2 3.83Å; W169-I290 HydrophobicContact CE3-CG2 3.76Å; W169-I290 HydrophobicContact CZ3-CG2 3.77Å; W169-L293 HydrophobicContact CB-CD2 3.89Å; W169-L293 HydrophobicContact CB-CG 4.08Å; W169-Y294 HydrophobicContact CD2-CD2 4.46Å; W169-Y294 AromaticContact CE2-CD2 3.99Å; W169-Y294 HydrophobicContact CZ2-CD2 4.22Å; W169-Y294 HydrophobicContact CZ2-CE2 4.47Å; W169-Q297 VanDerWaalsContact CD1-OE1 3.27Å; W169-L405 HydrophobicContact CZ3-CD2 4.37Å; W169-M408 HydrophobicContact CZ2-CE 4.4Å
170	F	85.3	Confident	87.3	Confident	6 Å²	6	48 Å²	48	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-75.2	-34.4	171.8	-72.8	-69.4	0	0	0	112.7	Y17 L20 K21 N167 F168 S176 V179	Y17-F170 HydrophobicContact CD2-CD1 4.44Å; Y17-F170 HydrophobicContact CG-CD1 4.13Å; Y17-F170 HydrophobicContact CG-CE1 4.22Å; L20-F170 HydrophobicContact CB-CE1 4.14Å; L20-F170 HydrophobicContact CB-CZ 4.17Å; K21-F170 HydrophobicContact CG-CE2 4.13Å; K21-F170 HydrophobicContact CG-CZ 4.08Å; N167-F170 PolarHBondContact O-N 2.66Å; F168-F170 VanDerWaalsContact C-N 3.31Å; F168-F170 PolarHBondContact O-N 3.22Å; F170-S176 VanDerWaalsContact O-CB 3.23Å; F170-S176 WeakPolarHBondContact O-CB 3.49Å; F170-S176 PolarHBondContact O-OG 3.01Å; F170-V179 HydrophobicContact CD1-CG1 4.14Å; F170-V179 HydrophobicContact CE1-CG1 4.25Å
171	K	84.8	Confident	87.4	Confident	112 Å²	112	50 Å²	50	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-95.4	-11.8	-174.1	-62.8	-175.8	179.9	-176.4	0	113.8	L10 D12 N167 F168	L10-K171 PolarHBondContact O-NZ 3.33Å; D12-K171 WeakPolarHBondContact O-CE 3.49Å; D12-K171 PolarHBondContact O-NZ 3.13Å; N167-K171 PolarHBondContact O-N 3.16Å; F168-K171 PolarHBondContact O-N 2.98Å; F168-K171 VanDerWaalsContact O-N 3.13Å
172	Y	88.6	Confident	87.6	Confident	80 Å²	80	46.9 Å²	46.9	31%	0.314	24%	0.238	S	C	.	.	S	Bend	trans	-78.7	122.1	178.3	-177.2	-112.8	0	0	0	111.9	F168 K174 T175 S176 L293	F168-Y172 AromaticContact CE1-CD2 3.95Å; F168-Y172 HydrophobicContact CE1-CD2 3.95Å; F168-Y172 AromaticContact CE1-CG 3.95Å; F168-Y172 HydrophobicContact CE1-CG 3.95Å; F168-Y172 AromaticContact CZ-CD2 3.73Å; F168-Y172 HydrophobicContact CZ-CD2 3.73Å; F168-Y172 HydrophobicContact CZ-CE2 4.39Å; F168-Y172 HydrophobicContact CZ-CG 4.19Å; F168-Y172 VanDerWaalsContact O-CB 3.3Å; F168-Y172 WeakPolarHBondContact O-CB 3.45Å; F168-Y172 PolarHBondContact O-N 2.55Å; Y172-K174 HydrophobicContact CD1-CB 4.21Å; Y172-K174 HydrophobicContact CE1-CB 3.76Å; Y172-K174 HydrophobicContact CE1-CD 4.3Å; Y172-K174 HydrophobicContact CE1-CG 4.17Å; Y172-K174 PolarHBondContact O-N 2.85Å; Y172-K174 VanDerWaalsContact O-N 3.14Å; Y172-T175 HydrophobicContact CD1-CG2 4.32Å; Y172-T175 PolarHBondContact O-N 2.97Å; Y172-T175 VanDerWaalsContact O-N 3.13Å; Y172-T175 PolarHBondContact O-OG1 2.94Å; Y172-T175 VanDerWaalsContact O-OG1 3.04Å; Y172-S176 VanDerWaalsContact O-CB 3.26Å; Y172-S176 WeakPolarHBondContact O-CB 3.33Å; Y172-S176 PolarHBondContact O-N 3.27Å; Y172-L293 HydrophobicContact CD1-CD2 3.99Å; Y172-L293 HydrophobicContact CG-CD2 4.38Å
173	P	86.8	Confident	87.7	Confident	97 Å²	97	47.4 Å²	47.4	63%	0.63	24%	0.241	S	C	*	.	H	α-helix	trans	-56.8	-38.4	-165.7	-30.7	36	0	0	0	116.3	T175 S177	P173-T175 VanDerWaalsContact C-N 3.32Å; P173-T175 PolarHBondContact O-N 2.83Å; P173-S177 PolarHBondContact O-N 3.42Å
174	K	85.6	Confident	87.9	Confident	142 Å²	142	49.6 Å²	49.6	62%	0.617	26%	0.258	S	S	*	.	H	α-helix	trans	-70.8	-24	-177	-63.8	-173.2	176.6	-175.4	0	113.8	Y172 L289	Y172-K174 HydrophobicContact CD1-CB 4.21Å; Y172-K174 HydrophobicContact CE1-CB 3.76Å; Y172-K174 HydrophobicContact CE1-CD 4.3Å; Y172-K174 HydrophobicContact CE1-CG 4.17Å; Y172-K174 PolarHBondContact O-N 2.85Å; Y172-K174 VanDerWaalsContact O-N 3.14Å; K174-L289 HydrophobicContact CB-CD2 3.64Å
175	T	89.6	Confident	88.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-96.5	-41.4	174.1	48.3	0	0	0	0	110.9	W169 Y172 P173 S177 K178 V179 L289 I290 L293	W169-T175 WeakPolarHBondContact O-CB 3.33Å; W169-T175 PolarHBondContact O-OG1 3.22Å; Y172-T175 HydrophobicContact CD1-CG2 4.32Å; Y172-T175 PolarHBondContact O-N 2.97Å; Y172-T175 VanDerWaalsContact O-N 3.13Å; Y172-T175 PolarHBondContact O-OG1 2.94Å; Y172-T175 VanDerWaalsContact O-OG1 3.04Å; P173-T175 VanDerWaalsContact C-N 3.32Å; P173-T175 PolarHBondContact O-N 2.83Å; T175-S177 VanDerWaalsContact C-N 3.35Å; T175-S177 PolarHBondContact O-N 3.01Å; T175-K178 PolarHBondContact O-N 3.36Å; T175-K178 VanDerWaalsContact O-N 3.08Å; T175-V179 WeakPolarHBondContact O-CG2 3.44Å; T175-V179 PolarHBondContact O-N 2.93Å; T175-L289 HydrophobicContact CG2-CD2 3.77Å; T175-L289 HydrophobicContact CG2-CG 3.83Å; T175-I290 HydrophobicContact CG2-CB 4.46Å; T175-I290 HydrophobicContact CG2-CG1 3.84Å; T175-L293 HydrophobicContact CG2-CD2 3.91Å
176	S	88.3	Confident	88.5	Confident	26 Å²	26	45.6 Å²	45.6	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-51.2	-48.3	179.7	-164.6	0	0	0	0	112.7	F170 Y172 K178 V179 E180	F170-S176 VanDerWaalsContact O-CB 3.23Å; F170-S176 WeakPolarHBondContact O-CB 3.49Å; F170-S176 PolarHBondContact O-OG 3.01Å; Y172-S176 VanDerWaalsContact O-CB 3.26Å; Y172-S176 WeakPolarHBondContact O-CB 3.33Å; Y172-S176 PolarHBondContact O-N 3.27Å; S176-K178 VanDerWaalsContact C-N 3.34Å; S176-K178 PolarHBondContact O-N 3.38Å; S176-V179 PolarHBondContact O-N 2.89Å; S176-E180 WeakPolarHBondContact O-CB 3.26Å; S176-E180 PolarHBondContact O-N 2.74Å
177	S	88.9	Confident	88.8	Confident	76 Å²	76	46.4 Å²	46.4	53%	0.531	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-36.7	179.5	178.5	0	0	0	0	113.6	P173 T175 H181	P173-S177 PolarHBondContact O-N 3.42Å; T175-S177 VanDerWaalsContact C-N 3.35Å; T175-S177 PolarHBondContact O-N 3.01Å; S177-H181 WeakPolarHBondContact O-CB 3.35Å; S177-H181 PolarHBondContact O-N 3.25Å; S177-H181 VanDerWaalsContact O-N 3.16Å
178	K	89.9	Confident	89.2	Confident	30 Å²	30	51 Å²	51	13%	0.13	26%	0.261	C	S	.	.	H	α-helix	trans	-72.5	-38.6	175.8	-67.2	-167.1	174.8	-157.4	0	111.7	T175 S176 F182 H283 V284 S287 I290	T175-K178 PolarHBondContact O-N 3.36Å; T175-K178 VanDerWaalsContact O-N 3.08Å; S176-K178 VanDerWaalsContact C-N 3.34Å; S176-K178 PolarHBondContact O-N 3.38Å; K178-F182 WeakPolarHBondContact O-CB 3.14Å; K178-F182 PolarHBondContact O-N 2.9Å; K178-H283 WeakPolarHBondContact CE-NE2 3.35Å; K178-H283 PolarHBondContact NZ-O 2.81Å; K178-V284 HydrophobicContact CD-CG2 4.07Å; K178-V284 HydrophobicContact CG-CG2 4.43Å; K178-S287 PolarHBondContact NZ-OG 3.23Å; K178-I290 HydrophobicContact CB-CD1 4.04Å
179	V	90.6	Very high	89.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-45.6	176.6	167.6	0	0	0	0	111.6	Y17 L20 W169 F170 T175 S176 F182 V183 I290 L405	Y17-V179 HydrophobicContact CD1-CG1 3.9Å; Y17-V179 HydrophobicContact CE1-CG1 3.85Å; L20-V179 HydrophobicContact CD1-CG1 3.63Å; W169-V179 HydrophobicContact CE3-CG2 4.19Å; W169-V179 HydrophobicContact CZ3-CG2 3.83Å; F170-V179 HydrophobicContact CD1-CG1 4.14Å; F170-V179 HydrophobicContact CE1-CG1 4.25Å; T175-V179 WeakPolarHBondContact O-CG2 3.44Å; T175-V179 PolarHBondContact O-N 2.93Å; S176-V179 PolarHBondContact O-N 2.89Å; V179-F182 PolarHBondContact O-N 3.03Å; V179-V183 WeakPolarHBondContact O-CG2 3.44Å; V179-V183 PolarHBondContact O-N 2.76Å; V179-I290 HydrophobicContact CG2-CD1 4.17Å; V179-L405 HydrophobicContact CG2-CD2 4.29Å
180	E	89.9	Confident	89.5	Confident	106 Å²	106	49.2 Å²	49.2	50%	0.495	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-46.5	176.1	-174.1	177.9	-165.7	0	0	111.6	S176 V183 S184	S176-E180 WeakPolarHBondContact O-CB 3.26Å; S176-E180 PolarHBondContact O-N 2.74Å; E180-V183 PolarHBondContact O-N 3.27Å; E180-S184 WeakPolarHBondContact O-CB 3.21Å; E180-S184 PolarHBondContact O-N 2.72Å
181	H	90.4	Very high	89.7	Confident	95 Å²	95	55.9 Å²	55.9	44%	0.44	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-39.8	178.8	-157.8	108.7	0	0	0	112.1	S177 S184 I185 F280	S177-H181 WeakPolarHBondContact O-CB 3.35Å; S177-H181 PolarHBondContact O-N 3.25Å; S177-H181 VanDerWaalsContact O-N 3.16Å; H181-S184 PolarHBondContact O-N 3.34Å; H181-I185 PolarHBondContact O-N 3.04Å; H181-F280 HydrophobicContact CB-CD2 4.22Å; H181-F280 HydrophobicContact CB-CE2 3.81Å; H181-F280 AromaticContact CD2-CD2 3.24Å; H181-F280 WeakPolarHBondContact CD2-CD2 3.16Å; H181-F280 AromaticContact CD2-CE2 3.73Å; H181-F280 AromaticContact CD2-CG 3.87Å; H181-F280 AromaticContact CG-CD2 3.88Å
182	F	92.5	Very high	89.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-53	173.2	177.3	-117	0	0	0	111.5	L20 K178 V179 S184 I185 L186 F280 L405 L406 V409	L20-F182 HydrophobicContact CD1-CD1 4.33Å; L20-F182 HydrophobicContact CD2-CD1 4.44Å; L20-F182 HydrophobicContact CD2-CE1 4.1Å; K178-F182 WeakPolarHBondContact O-CB 3.14Å; K178-F182 PolarHBondContact O-N 2.9Å; V179-F182 PolarHBondContact O-N 3.03Å; F182-S184 VanDerWaalsContact C-N 3.3Å; F182-S184 PolarHBondContact O-N 3.17Å; F182-I185 PolarHBondContact O-N 2.94Å; F182-L186 HydrophobicContact CE1-CD2 4.01Å; F182-L186 HydrophobicContact CZ-CD2 4.09Å; F182-L186 VanDerWaalsContact O-CB 3.27Å; F182-L186 WeakPolarHBondContact O-CB 3.24Å; F182-L186 PolarHBondContact O-N 3.17Å; F182-F280 HydrophobicContact CB-CE1 3.99Å; F182-F280 HydrophobicContact CB-CZ 3.69Å; F182-F280 AromaticContact CD2-CE1 3.86Å; F182-F280 HydrophobicContact CD2-CE1 3.86Å; F182-F280 HydrophobicContact CD2-CZ 4.41Å; F182-F280 HydrophobicContact CG-CE1 4.41Å; F182-L405 HydrophobicContact CB-CD1 4.12Å; F182-L405 HydrophobicContact CD1-CB 4.06Å; F182-L405 HydrophobicContact CD1-CD1 4.09Å; F182-L405 HydrophobicContact CD1-CD2 4.3Å; F182-L405 HydrophobicContact CD1-CG 4.39Å; F182-L405 HydrophobicContact CD2-CD1 4.46Å; F182-L405 HydrophobicContact CE1-CB 3.8Å; F182-L405 HydrophobicContact CE2-CB 4.4Å; F182-L405 HydrophobicContact CG-CB 4.48Å; F182-L405 HydrophobicContact CG-CD1 3.98Å; F182-L405 HydrophobicContact CZ-CB 3.97Å; F182-L406 HydrophobicContact CE2-CD2 4.43Å; F182-L406 HydrophobicContact CZ-CD2 4.23Å; F182-L406 HydrophobicContact CZ-CG 4.44Å; F182-V409 HydrophobicContact CE1-CG2 3.63Å; F182-V409 HydrophobicContact CZ-CG2 3.92Å
183	V	91.9	Very high	89.8	Confident	14 Å²	14	50.2 Å²	50.2	9%	0.085	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-35.8	-179.6	173.2	0	0	0	0	111.5	Y17 L20 V179 E180 L186 G187	Y17-V183 HydrophobicContact CD1-CG2 4.29Å; L20-V183 HydrophobicContact CD1-CG2 3.66Å; L20-V183 HydrophobicContact CG-CG2 4.33Å; V179-V183 WeakPolarHBondContact O-CG2 3.44Å; V179-V183 PolarHBondContact O-N 2.76Å; E180-V183 PolarHBondContact O-N 3.27Å; V183-L186 PolarHBondContact O-N 3.31Å; V183-G187 PolarHBondContact O-N 3.01Å
184	S	91.3	Very high	89.9	Confident	56 Å²	56	45.6 Å²	45.6	39%	0.392	24%	0.239	S	C	.	.	H	α-helix	trans	-69.1	-32	176.8	-158.9	0	0	0	0	113.9	E180 H181 F182 K188	E180-S184 WeakPolarHBondContact O-CB 3.21Å; E180-S184 PolarHBondContact O-N 2.72Å; H181-S184 PolarHBondContact O-N 3.34Å; F182-S184 VanDerWaalsContact C-N 3.3Å; F182-S184 PolarHBondContact O-N 3.17Å; S184-K188 WeakPolarHBondContact O-CD 3.35Å; S184-K188 WeakPolarHBondContact O-CG 3.45Å; S184-K188 PolarHBondContact O-NZ 3.37Å; S184-K188 PolarHBondContact OG-NZ 3.21Å
185	I	92.3	Very high	89.9	Confident	7 Å²	7	38.9 Å²	38.9	4%	0.036	21%	0.21	C	C	.	.	H	α-helix	trans	-74.9	-49.1	170.3	-69.9	-178.1	0	0	0	109.8	H181 F182 G187 K188 C189 L273 K276 V277 F280 F420	H181-I185 PolarHBondContact O-N 3.04Å; F182-I185 PolarHBondContact O-N 2.94Å; I185-G187 VanDerWaalsContact C-N 3.32Å; I185-G187 PolarHBondContact O-N 2.93Å; I185-K188 CarbonylContact O-C 3.6Å; I185-K188 WeakPolarHBondContact O-CA 3.24Å; I185-K188 PolarHBondContact O-N 3.38Å; I185-C189 PolarHBondContact O-N 3.46Å; I185-C189 PolarHBondContact O-SG 3.05Å; I185-C189 VanDerWaalsContact O-SG 3.41Å; I185-L273 HydrophobicContact CG2-CD1 4.2Å; I185-K276 HydrophobicContact CD1-CB 4.29Å; I185-V277 HydrophobicContact CG2-CG2 3.62Å; I185-F280 HydrophobicContact CD1-CB 3.48Å; I185-F280 VanDerWaalsContact CD1-CB 3.48Å; I185-F280 HydrophobicContact CD1-CD1 4.02Å; I185-F280 HydrophobicContact CD1-CD2 4.33Å; I185-F280 HydrophobicContact CD1-CG 3.67Å; I185-F420 HydrophobicContact CG2-CE2 3.88Å
186	L	91.8	Very high	89.7	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-42.9	-175.6	-173.1	65	0	0	0	112.3	I19 F182 V183 C189 F190 V409 Y416 F420	I19-L186 HydrophobicContact CG2-CD2 4.2Å; F182-L186 HydrophobicContact CE1-CD2 4.01Å; F182-L186 HydrophobicContact CZ-CD2 4.09Å; F182-L186 VanDerWaalsContact O-CB 3.27Å; F182-L186 WeakPolarHBondContact O-CB 3.24Å; F182-L186 PolarHBondContact O-N 3.17Å; V183-L186 PolarHBondContact O-N 3.31Å; L186-C189 PolarHBondContact O-N 3.34Å; L186-F190 WeakPolarHBondContact O-CB 3.01Å; L186-F190 PolarHBondContact O-N 2.95Å; L186-V409 HydrophobicContact CD2-CG1 4.1Å; L186-V409 HydrophobicContact CD2-CG2 3.79Å; L186-Y416 HydrophobicContact CD1-CD1 4.11Å; L186-Y416 HydrophobicContact CD2-CD1 4.08Å; L186-Y416 HydrophobicContact CG-CD1 3.79Å; L186-Y416 HydrophobicContact CG-CE1 4.49Å; L186-F420 HydrophobicContact CD1-CB 4.2Å; L186-F420 HydrophobicContact CD1-CD2 3.72Å; L186-F420 HydrophobicContact CD1-CG 4.3Å
187	G	89.8	Confident	89.4	Confident	23 Å²	23	42.6 Å²	42.6	24%	0.237	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-46.3	172.8	0	0	0	0	0	112.4	V183 I185 C189 F190 E191	V183-G187 PolarHBondContact O-N 3.01Å; I185-G187 VanDerWaalsContact C-N 3.32Å; I185-G187 PolarHBondContact O-N 2.93Å; G187-C189 PolarHBondContact O-N 3.22Å; G187-F190 WeakPolarHBondContact O-CB 3.21Å; G187-F190 PolarHBondContact O-N 2.95Å; G187-F190 VanDerWaalsContact O-N 3.14Å; G187-E191 WeakPolarHBondContact O-CB 3.42Å; G187-E191 VanDerWaalsContact O-CG 3.32Å; G187-E191 WeakPolarHBondContact O-CG 3.39Å; G187-E191 PolarHBondContact O-N 2.96Å
188	K	91.9	Very high	89.1	Confident	100 Å²	100	39 Å²	39	44%	0.435	20%	0.204	S	C	.	.	H	α-helix	trans	-68.4	-32.8	178.7	-69.5	171.2	-173.7	126.8	0	113	S184 I185 F190 S192 L273	S184-K188 WeakPolarHBondContact O-CD 3.35Å; S184-K188 WeakPolarHBondContact O-CG 3.45Å; S184-K188 PolarHBondContact O-NZ 3.37Å; S184-K188 PolarHBondContact OG-NZ 3.21Å; I185-K188 CarbonylContact O-C 3.6Å; I185-K188 WeakPolarHBondContact O-CA 3.24Å; I185-K188 PolarHBondContact O-N 3.38Å; K188-F190 VanDerWaalsContact C-N 3.34Å; K188-S192 WeakPolarHBondContact O-CB 3.45Å; K188-S192 PolarHBondContact O-N 3.43Å; K188-S192 VanDerWaalsContact O-N 3.08Å; K188-L273 HydrophobicContact CB-CD1 4.17Å; K188-L273 HydrophobicContact CB-CD2 4.12Å
189	C	90.6	Very high	88.5	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-40.8	171.1	-69.2	0	0	0	0	110.9	I185 L186 G187 T195 L273 F420 F423	I185-C189 PolarHBondContact O-N 3.46Å; I185-C189 PolarHBondContact O-SG 3.05Å; I185-C189 VanDerWaalsContact O-SG 3.41Å; L186-C189 PolarHBondContact O-N 3.34Å; G187-C189 PolarHBondContact O-N 3.22Å; C189-T195 VanDerWaalsContact O-CG2 3.32Å; C189-T195 WeakPolarHBondContact O-CG2 3.25Å; C189-L273 HydrophobicContact CB-CD2 4.48Å; C189-F420 HydrophobicContact CB-CD2 4.25Å; C189-F423 HydrophobicContact CB-CD2 3.76Å; C189-F423 HydrophobicContact CB-CE2 3.91Å; C189-F423 VanDerWaalsContact SG-CD2 3.52Å
190	F	88.5	Confident	88	Confident	60 Å²	60	42.6 Å²	42.6	26%	0.263	23%	0.229	S	C	.	.	H	α-helix	trans	-69.5	-40.1	177.5	-170.9	-86.7	0	0	0	112.8	L186 G187 K188 S192 L415 Y416 R419	L186-F190 WeakPolarHBondContact O-CB 3.01Å; L186-F190 PolarHBondContact O-N 2.95Å; G187-F190 WeakPolarHBondContact O-CB 3.21Å; G187-F190 PolarHBondContact O-N 2.95Å; G187-F190 VanDerWaalsContact O-N 3.14Å; K188-F190 VanDerWaalsContact C-N 3.34Å; F190-S192 VanDerWaalsContact C-N 3.35Å; F190-L415 HydrophobicContact CE2-CD2 3.87Å; F190-L415 HydrophobicContact CE2-CG 4.01Å; F190-L415 HydrophobicContact CZ-CD2 4.21Å; F190-Y416 HydrophobicContact CB-CD1 4.09Å; F190-Y416 HydrophobicContact CB-CE1 3.84Å; F190-Y416 HydrophobicContact CD1-CE1 4.48Å; F190-Y416 AromaticContact CD2-CD1 3.62Å; F190-Y416 HydrophobicContact CD2-CD1 3.62Å; F190-Y416 AromaticContact CD2-CE1 3.5Å; F190-Y416 HydrophobicContact CD2-CE1 3.5Å; F190-Y416 HydrophobicContact CD2-CE2 4.42Å; F190-Y416 HydrophobicContact CD2-CG 4.17Å; F190-Y416 AromaticContact CD2-CZ 3.93Å; F190-Y416 HydrophobicContact CE2-CD1 4.41Å; F190-Y416 HydrophobicContact CE2-CE1 4.17Å; F190-Y416 HydrophobicContact CE2-CE2 4.34Å; F190-Y416 HydrophobicContact CG-CD1 4.11Å; F190-Y416 AromaticContact CG-CE1 3.69Å; F190-Y416 HydrophobicContact CG-CE1 3.69Å; F190-R419 PolarHBondContact O-NH1 2.84Å
191	E	89.1	Confident	87.1	Confident	147 Å²	147	40.1 Å²	40.1	69%	0.687	22%	0.217	S	C	*	.	H	α-helix	trans	-71.3	-24.7	178	-73.1	169.8	173	0	0	113.3	G187 P193	G187-E191 WeakPolarHBondContact O-CB 3.42Å; G187-E191 VanDerWaalsContact O-CG 3.32Å; G187-E191 WeakPolarHBondContact O-CG 3.39Å; G187-E191 PolarHBondContact O-N 2.96Å; E191-P193 WeakPolarHBondContact O-CD 3.33Å
192	S	89.1	Confident	85.9	Confident	12 Å²	12	35.7 Å²	35.7	8%	0.084	20%	0.197	C	C	.	.			trans	-66.8	121.8	-172.9	-174.6	0	0	0	0	113	K188 F190 W194 T195	K188-S192 WeakPolarHBondContact O-CB 3.45Å; K188-S192 PolarHBondContact O-N 3.43Å; K188-S192 VanDerWaalsContact O-N 3.08Å; F190-S192 VanDerWaalsContact C-N 3.35Å; S192-W194 PolarHBondContact O-N 2.98Å; S192-W194 VanDerWaalsContact O-N 3.16Å; S192-T195 PolarHBondContact O-N 2.94Å; S192-T195 PolarHBondContact O-OG1 2.88Å
193	P	87.8	Confident	84.4	Confident	61 Å²	61	38.5 Å²	38.5	40%	0.396	22%	0.22	S	C	.	.	H	α-helix	trans	-58.5	-28.3	176.1	-26.7	36.5	0	0	0	113.7	E191 T195 T196 K197 L262	E191-P193 WeakPolarHBondContact O-CD 3.33Å; P193-T195 VanDerWaalsContact C-N 3.28Å; P193-T195 PolarHBondContact O-N 2.77Å; P193-T196 PolarHBondContact O-N 2.96Å; P193-T196 VanDerWaalsContact O-N 3.09Å; P193-K197 PolarHBondContact O-N 2.94Å; P193-L262 HydrophobicContact CB-CD1 4.34Å
194	W	87.8	Confident	82.9	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-52.8	-43.5	177.1	175.9	-114.1	0	0	0	112.6	S192 T196 K197 A198 L262 A270 F274 F423 S428 K431 L432 I435	S192-W194 PolarHBondContact O-N 2.98Å; S192-W194 VanDerWaalsContact O-N 3.16Å; W194-T196 VanDerWaalsContact C-N 3.28Å; W194-T196 PolarHBondContact O-N 3.03Å; W194-K197 PolarHBondContact O-N 3.41Å; W194-A198 HydrophobicContact CZ2-CB 4.22Å; W194-A198 WeakPolarHBondContact O-CB 3.47Å; W194-A198 PolarHBondContact O-N 2.77Å; W194-L262 HydrophobicContact CE3-CD2 3.85Å; W194-L262 HydrophobicContact CZ3-CD2 4.43Å; W194-A270 HydrophobicContact CB-CB 3.87Å; W194-A270 HydrophobicContact CG-CB 4.1Å; W194-F274 AromaticContact NE1-CE2 3.74Å; W194-F274 AromaticContact NE1-CZ 3.85Å; W194-F423 AromaticContact CD1-CE1 3.91Å; W194-S428 WeakPolarHBondContact CZ2-O 3.47Å; W194-S428 PolarHBondContact NE1-OG 2.68Å; W194-K431 HydrophobicContact CH2-CB 4.24Å; W194-K431 HydrophobicContact CZ2-CB 4.42Å; W194-L432 HydrophobicContact CD2-CB 4.47Å; W194-L432 HydrophobicContact CD2-CD1 4.03Å; W194-L432 HydrophobicContact CE3-CD1 3.89Å; W194-L432 HydrophobicContact CH2-CB 3.95Å; W194-L432 HydrophobicContact CH2-CD1 4.42Å; W194-L432 HydrophobicContact CZ2-CB 3.65Å; W194-L432 HydrophobicContact CZ3-CB 4.47Å; W194-L432 HydrophobicContact CZ3-CD1 4.09Å; W194-I435 HydrophobicContact CH2-CD1 3.95Å; W194-I435 HydrophobicContact CZ3-CD1 3.81Å
195	T	85.6	Confident	81.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-36.7	-179.4	61.6	0	0	0	0	112.5	C189 S192 P193 L199 R419 F423	C189-T195 VanDerWaalsContact O-CG2 3.32Å; C189-T195 WeakPolarHBondContact O-CG2 3.25Å; S192-T195 PolarHBondContact O-N 2.94Å; S192-T195 PolarHBondContact O-OG1 2.88Å; P193-T195 VanDerWaalsContact C-N 3.28Å; P193-T195 PolarHBondContact O-N 2.77Å; T195-L199 WeakPolarHBondContact O-CB 3.47Å; T195-L199 WeakPolarHBondContact O-CD1 3.29Å; T195-L199 WeakPolarHBondContact O-CG 3.28Å; T195-L199 PolarHBondContact O-N 2.64Å; T195-L199 VanDerWaalsContact O-N 3.13Å; T195-R419 HydrophobicContact CG2-CB 4.29Å; T195-F423 HydrophobicContact CG2-CD2 3.84Å; T195-F423 HydrophobicContact CG2-CE2 3.22Å; T195-F423 HydrophobicContact CG2-CZ 3.95Å
196	T	85.2	Confident	79.7	Confident	70 Å²	70	44.8 Å²	44.8	43%	0.429	25%	0.251	S	S	.	.	H	α-helix	trans	-73.7	-38.6	-179.9	-55.9	0	0	0	0	110.2	P193 W194 S200 R419	P193-T196 PolarHBondContact O-N 2.96Å; P193-T196 VanDerWaalsContact O-N 3.09Å; W194-T196 VanDerWaalsContact C-N 3.28Å; W194-T196 PolarHBondContact O-N 3.03Å; T196-S200 WeakPolarHBondContact O-CB 3.47Å; T196-S200 PolarHBondContact O-N 2.88Å; T196-S200 VanDerWaalsContact O-N 3.1Å; T196-S200 PolarHBondContact O-OG 3.12Å; T196-R419 PolarHBondContact OG1-NH2 3.3Å
197	K	83.3	Confident	78.1	Confident	34 Å²	34	47.5 Å²	47.5	15%	0.148	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-55.7	173.5	-178.8	161.4	-176	156.7	0	111.9	P193 W194 L199 S200 E201 T260	P193-K197 PolarHBondContact O-N 2.94Å; W194-K197 PolarHBondContact O-N 3.41Å; K197-L199 VanDerWaalsContact C-N 3.35Å; K197-L199 PolarHBondContact O-N 3.27Å; K197-S200 WeakPolarHBondContact O-CA 3.24Å; K197-S200 PolarHBondContact O-N 3.02Å; K197-S200 PolarHBondContact O-OG 3.2Å; K197-E201 WeakPolarHBondContact CE-OE1 3.32Å; K197-E201 HydrophobicContact CG-CG 4.41Å; K197-E201 IonicContact NZ-OE1 2.59Å; K197-E201 PolarHBondContact O-N 3.01Å; K197-T260 PolarHBondContact NZ-O 2.9Å
198	A	81.4	Confident	76.5	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-56.2	-45.6	-178.5	0	0	0	0	0	112.3	W194 S200 E201 T202 F392 V422	W194-A198 HydrophobicContact CZ2-CB 4.22Å; W194-A198 WeakPolarHBondContact O-CB 3.47Å; W194-A198 PolarHBondContact O-N 2.77Å; A198-S200 VanDerWaalsContact C-N 3.31Å; A198-S200 PolarHBondContact O-N 2.9Å; A198-E201 PolarHBondContact O-N 2.73Å; A198-T202 WeakPolarHBondContact O-CG2 3.24Å; A198-T202 PolarHBondContact O-N 3.46Å; A198-T202 VanDerWaalsContact O-N 3.16Å; A198-F392 HydrophobicContact CB-CE2 4.41Å; A198-F392 HydrophobicContact CB-CZ 4.33Å; A198-V422 HydrophobicContact CB-CG1 3.91Å
199	L	78.7	Confident	74.7	Confident	47 Å²	47	49.8 Å²	49.8	25%	0.246	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-26.8	176.8	-67.6	171	0	0	0	113.4	T195 K197 T202 A203 R419 V422	T195-L199 WeakPolarHBondContact O-CB 3.47Å; T195-L199 WeakPolarHBondContact O-CD1 3.29Å; T195-L199 WeakPolarHBondContact O-CG 3.28Å; T195-L199 PolarHBondContact O-N 2.64Å; T195-L199 VanDerWaalsContact O-N 3.13Å; K197-L199 VanDerWaalsContact C-N 3.35Å; K197-L199 PolarHBondContact O-N 3.27Å; L199-T202 PolarHBondContact O-OG1 3.12Å; L199-A203 WeakPolarHBondContact O-CB 3.45Å; L199-A203 PolarHBondContact O-N 3.27Å; L199-R419 HydrophobicContact CD1-CG 4.26Å; L199-V422 HydrophobicContact CD1-CG2 4.36Å; L199-V422 HydrophobicContact CD2-CG2 3.8Å; L199-V422 HydrophobicContact CG-CG2 3.96Å
200	S	79.4	Confident	72.9	Confident	59 Å²	59	53.6 Å²	53.6	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-76.3	-35.4	173.9	70.2	0	0	0	0	112.6	T196 K197 A198 A203 C204	T196-S200 WeakPolarHBondContact O-CB 3.47Å; T196-S200 PolarHBondContact O-N 2.88Å; T196-S200 VanDerWaalsContact O-N 3.1Å; T196-S200 PolarHBondContact O-OG 3.12Å; K197-S200 WeakPolarHBondContact O-CA 3.24Å; K197-S200 PolarHBondContact O-N 3.02Å; K197-S200 PolarHBondContact O-OG 3.2Å; A198-S200 VanDerWaalsContact C-N 3.31Å; A198-S200 PolarHBondContact O-N 2.9Å; S200-A203 PolarHBondContact O-N 3.07Å; S200-C204 PolarHBondContact O-N 3.28Å; S200-C204 VanDerWaalsContact O-N 3.09Å
201	E	70.1	Confident	71.2	Confident	54 Å²	54	56.1 Å²	56.1	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-65.4	-46.1	176	-71.9	173.8	173.5	0	0	110.8	K197 A198 A203 C204 E205	K197-E201 WeakPolarHBondContact CE-OE1 3.32Å; K197-E201 HydrophobicContact CG-CG 4.41Å; K197-E201 IonicContact NZ-OE1 2.59Å; K197-E201 PolarHBondContact O-N 3.01Å; A198-E201 PolarHBondContact O-N 2.73Å; E201-A203 PolarHBondContact O-N 3.45Å; E201-C204 WeakPolarHBondContact O-CB 3.27Å; E201-C204 PolarHBondContact O-N 3.46Å; E201-C204 VanDerWaalsContact O-N 3.13Å; E201-E205 WeakPolarHBondContact O-CG 3.45Å; E201-E205 PolarHBondContact O-N 2.84Å
202	T	66.1	Low	69.3	Low	3 Å²	3	52.4 Å²	52.4	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-40	176.4	61.2	0	0	0	0	112.3	A198 L199 C204 E205 D206 S391 F392	A198-T202 WeakPolarHBondContact O-CG2 3.24Å; A198-T202 PolarHBondContact O-N 3.46Å; A198-T202 VanDerWaalsContact O-N 3.16Å; L199-T202 PolarHBondContact O-OG1 3.12Å; T202-C204 PolarHBondContact O-N 3.15Å; T202-E205 WeakPolarHBondContact O-CB 3.39Å; T202-E205 PolarHBondContact O-N 3.28Å; T202-E205 VanDerWaalsContact O-N 3.16Å; T202-D206 PolarHBondContact O-N 2.87Å; T202-S391 WeakPolarHBondContact CG2-OG 3.35Å; T202-F392 HydrophobicContact CG2-CD2 3.97Å; T202-F392 HydrophobicContact CG2-CE2 3.4Å; T202-F392 HydrophobicContact CG2-CZ 3.81Å
203	A	60.6	Low	67.6	Low	58 Å²	58	58.7 Å²	58.7	48%	0.479	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-27.2	175.6	0	0	0	0	0	113.2	L199 S200 E201 S207	L199-A203 WeakPolarHBondContact O-CB 3.45Å; L199-A203 PolarHBondContact O-N 3.27Å; S200-A203 PolarHBondContact O-N 3.07Å; E201-A203 PolarHBondContact O-N 3.45Å; A203-S207 WeakPolarHBondContact O-CB 3.05Å; A203-S207 PolarHBondContact O-N 3.41Å
204	C	60.6	Low	65.6	Low	67 Å²	67	61.9 Å²	61.9	45%	0.453	33%	0.325	S	S	.	.	H	α-helix	trans	-76.1	-42.1	170.4	-79.2	0	0	0	0	112.3	S200 E201 T202 D206 S207 E208	S200-C204 PolarHBondContact O-N 3.28Å; S200-C204 VanDerWaalsContact O-N 3.09Å; E201-C204 WeakPolarHBondContact O-CB 3.27Å; E201-C204 PolarHBondContact O-N 3.46Å; E201-C204 VanDerWaalsContact O-N 3.13Å; T202-C204 PolarHBondContact O-N 3.15Å; C204-D206 PolarHBondContact O-N 3.15Å; C204-S207 WeakPolarHBondContact O-CB 3.15Å; C204-S207 PolarHBondContact O-N 3.31Å; C204-E208 PolarHBondContact O-N 3.1Å; C204-E208 VanDerWaalsContact O-N 3.12Å
205	E	59.8	Low	63.6	Low	85 Å²	85	64.5 Å²	64.5	40%	0.397	35%	0.346	S	S	.	.	H	α-helix	trans	-54.1	-51.8	173.2	-69.3	167.9	173.3	0	0	110.7	E201 T202 S207 E208 E209 S391 K431	E201-E205 WeakPolarHBondContact O-CG 3.45Å; E201-E205 PolarHBondContact O-N 2.84Å; T202-E205 WeakPolarHBondContact O-CB 3.39Å; T202-E205 PolarHBondContact O-N 3.28Å; T202-E205 VanDerWaalsContact O-N 3.16Å; E205-S207 VanDerWaalsContact C-N 3.31Å; E205-S207 PolarHBondContact O-N 3.06Å; E205-E208 PolarHBondContact O-N 2.85Å; E205-E209 PolarHBondContact O-N 2.83Å; E205-S391 PolarHBondContact OE2-OG 2.84Å; E205-K431 IonicContact OE1-NZ 3.86Å; E205-K431 PolarHBondContact OE1-NZ 3.24Å; E205-K431 IonicContact OE2-NZ 2.74Å
206	D	55.9	Low	61.4	Low	58 Å²	58	66.3 Å²	66.3	31%	0.31	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-31.6	179.8	-66.8	-34.6	0	0	0	113.3	T202 C204 N210	T202-D206 PolarHBondContact O-N 2.87Å; C204-D206 PolarHBondContact O-N 3.15Å; D206-N210 WeakPolarHBondContact O-CB 3.46Å; D206-N210 PolarHBondContact O-N 2.91Å; D206-N210 VanDerWaalsContact O-N 3.08Å; D206-N210 PolarHBondContact O-ND2 3.17Å
207	S	58.8	Low	59.1	Low	57 Å²	57	65.9 Å²	65.9	40%	0.399	37%	0.368	S	S	.	.	H	α-helix	trans	-68.2	-45.4	177.4	-168.7	0	0	0	0	111.5	A203 C204 E205 K211	A203-S207 WeakPolarHBondContact O-CB 3.05Å; A203-S207 PolarHBondContact O-N 3.41Å; C204-S207 WeakPolarHBondContact O-CB 3.15Å; C204-S207 PolarHBondContact O-N 3.31Å; E205-S207 VanDerWaalsContact C-N 3.31Å; E205-S207 PolarHBondContact O-N 3.06Å; S207-K211 WeakPolarHBondContact O-CG 3.33Å; S207-K211 PolarHBondContact O-N 2.66Å
208	E	55.8	Low	56.9	Low	88 Å²	88	68.3 Å²	68.3	41%	0.411	39%	0.389	S	S	.	.	H	α-helix	trans	-70	-36.5	176.2	-69.3	-54.1	139.2	0	0	112.2	C204 E205 N210 K211 Q212	C204-E208 PolarHBondContact O-N 3.1Å; C204-E208 VanDerWaalsContact O-N 3.12Å; E205-E208 PolarHBondContact O-N 2.85Å; E208-N210 PolarHBondContact O-N 3.35Å; E208-K211 PolarHBondContact O-N 2.86Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 2.97Å; E208-K211 WeakPolarHBondContact OE2-CD 3.5Å; E208-K211 IonicContact OE2-NZ 2.63Å; E208-Q212 WeakPolarHBondContact O-CG 3.32Å; E208-Q212 PolarHBondContact O-N 3.07Å
209	E	55	Low	54.5	Low	84 Å²	84	73.4 Å²	73.4	39%	0.393	42%	0.42	S	S	.	.	H	α-helix	trans	-64.2	-41.4	175.8	-133.6	-128.6	119.6	0	0	111.5	E205 Q212 R213	E205-E209 PolarHBondContact O-N 2.83Å; E209-Q212 PolarHBondContact O-N 2.98Å; E209-R213 VanDerWaalsContact O-CG 3.29Å; E209-R213 WeakPolarHBondContact O-CG 3.43Å; E209-R213 PolarHBondContact O-N 2.85Å; E209-R213 IonicContact OE1-CZ 2.64Å; E209-R213 IonicContact OE1-NE 2.75Å; E209-R213 PolarHBondContact OE1-NE 3.03Å; E209-R213 IonicContact OE1-NH2 3.01Å; E209-R213 PolarHBondContact OE1-NH2 3.09Å; E209-R213 IonicContact OE2-CZ 2.88Å; E209-R213 IonicContact OE2-NE 3.19Å; E209-R213 IonicContact OE2-NH2 3.4Å; E209-R213 PolarHBondContact OE2-NH2 2.78Å
210	N	52.8	Low	52.3	Low	80 Å²	80	78.2 Å²	78.2	43%	0.428	45%	0.446	S	S	.	.	H	α-helix	trans	-66.2	-38.8	174.3	-80.1	-59.9	0	0	0	113.1	D206 E208 Q212 R213 L214	D206-N210 WeakPolarHBondContact O-CB 3.46Å; D206-N210 PolarHBondContact O-N 2.91Å; D206-N210 VanDerWaalsContact O-N 3.08Å; D206-N210 PolarHBondContact O-ND2 3.17Å; E208-N210 PolarHBondContact O-N 3.35Å; N210-Q212 VanDerWaalsContact C-N 3.31Å; N210-Q212 PolarHBondContact O-N 3.23Å; N210-R213 PolarHBondContact O-N 3.21Å; N210-L214 WeakPolarHBondContact O-CD1 3.07Å; N210-L214 PolarHBondContact O-N 2.83Å
211	K	51.5	Low	49.9	Very low	114 Å²	114	82.8 Å²	82.8	50%	0.496	47%	0.465	S	S	.	.	H	α-helix	trans	-58.8	-42.9	170.9	-73.7	170.9	-169.8	172.5	0	111.5	S207 E208 L214 A215	S207-K211 WeakPolarHBondContact O-CG 3.33Å; S207-K211 PolarHBondContact O-N 2.66Å; E208-K211 PolarHBondContact O-N 2.86Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 2.97Å; E208-K211 WeakPolarHBondContact OE2-CD 3.5Å; E208-K211 IonicContact OE2-NZ 2.63Å; K211-L214 PolarHBondContact O-N 3.02Å; K211-A215 WeakPolarHBondContact O-CB 3.44Å; K211-A215 PolarHBondContact O-N 2.65Å
212	Q	50.7	Low	47.9	Very low	69 Å²	69	89.1 Å²	89.1	32%	0.322	49%	0.491	S	S	.	.	H	α-helix	trans	-68.9	-35.4	178.1	-70.6	-177.7	35	0	0	113	E208 E209 N210 A215 G216	E208-Q212 WeakPolarHBondContact O-CG 3.32Å; E208-Q212 PolarHBondContact O-N 3.07Å; E209-Q212 PolarHBondContact O-N 2.98Å; N210-Q212 VanDerWaalsContact C-N 3.31Å; N210-Q212 PolarHBondContact O-N 3.23Å; Q212-A215 PolarHBondContact O-N 2.93Å; Q212-G216 PolarHBondContact O-N 3.24Å
213	R	51.8	Low	46.1	Very low	144 Å²	144	97.7 Å²	97.7	54%	0.543	53%	0.531	S	S	.	.	H	α-helix	trans	-63	-42.9	172.1	-70.6	168.1	-176.2	-172.4	0.9	111.2	E209 N210 A217	E209-R213 VanDerWaalsContact O-CG 3.29Å; E209-R213 WeakPolarHBondContact O-CG 3.43Å; E209-R213 PolarHBondContact O-N 2.85Å; E209-R213 IonicContact OE1-CZ 2.64Å; E209-R213 IonicContact OE1-NE 2.75Å; E209-R213 PolarHBondContact OE1-NE 3.03Å; E209-R213 IonicContact OE1-NH2 3.01Å; E209-R213 PolarHBondContact OE1-NH2 3.09Å; E209-R213 IonicContact OE2-CZ 2.88Å; E209-R213 IonicContact OE2-NE 3.19Å; E209-R213 IonicContact OE2-NH2 3.4Å; E209-R213 PolarHBondContact OE2-NH2 2.78Å; N210-R213 PolarHBondContact O-N 3.21Å; R213-A217 PolarHBondContact O-N 3.37Å; R213-A217 VanDerWaalsContact O-N 3.08Å
214	L	47.1	Very low	44.4	Very low	128 Å²	128	102.8 Å²	102.8	67%	0.67	55%	0.549	S	S	*	.	H	α-helix	trans	-64.8	-43.5	172.6	-95.7	70.9	0	0	0	112.5	N210 K211 G216 A217 S218	N210-L214 WeakPolarHBondContact O-CD1 3.07Å; N210-L214 PolarHBondContact O-N 2.83Å; K211-L214 PolarHBondContact O-N 3.02Å; L214-G216 PolarHBondContact O-N 2.88Å; L214-A217 PolarHBondContact O-N 2.76Å; L214-S218 PolarHBondContact O-N 2.93Å; L214-S218 VanDerWaalsContact O-N 3.16Å
215	A	45	Very low	42.7	Very low	55 Å²	55	104.8 Å²	104.8	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-61.6	-43.8	177.6	0	0	0	0	0	111.8	K211 Q212 A217 S218	K211-A215 WeakPolarHBondContact O-CB 3.44Å; K211-A215 PolarHBondContact O-N 2.65Å; Q212-A215 PolarHBondContact O-N 2.93Å; A215-A217 VanDerWaalsContact C-N 3.33Å; A215-A217 PolarHBondContact O-N 3.28Å; A215-S218 WeakPolarHBondContact O-CB 3.5Å; A215-S218 PolarHBondContact O-N 2.96Å; A215-S218 VanDerWaalsContact O-N 3.11Å; A215-S218 PolarHBondContact O-OG 2.73Å
216	G	38.9	Very low	41	Very low	38 Å²	38	106.8 Å²	106.8	39%	0.392	58%	0.582	S	S	.	*	H	α-helix	trans	-66.6	-27.8	175.9	0	0	0	0	0	114.5	Q212 L214 T219	Q212-G216 PolarHBondContact O-N 3.24Å; L214-G216 PolarHBondContact O-N 2.88Å; G216-T219 PolarHBondContact O-OG1 3.23Å; G216-T219 VanDerWaalsContact O-OG1 3.07Å
217	A	36.9	Very low	39.5	Very low	60 Å²	60	109.1 Å²	109.1	50%	0.496	60%	0.603	S	S	.	*	H	α-helix	trans	-70.1	-34.1	170	0	0	0	0	0	112	R213 L214 A215 T219 L220	R213-A217 PolarHBondContact O-N 3.37Å; R213-A217 VanDerWaalsContact O-N 3.08Å; L214-A217 PolarHBondContact O-N 2.76Å; A215-A217 VanDerWaalsContact C-N 3.33Å; A215-A217 PolarHBondContact O-N 3.28Å; A217-T219 VanDerWaalsContact C-N 3.31Å; A217-T219 PolarHBondContact O-N 3.09Å; A217-L220 PolarHBondContact O-N 3Å
218	S	37.5	Very low	37.9	Very low	85 Å²	85	111 Å²	111	59%	0.594	62%	0.616	S	S	*	*	H	α-helix	trans	-68.3	-25.1	-177.5	79.2	0	0	0	0	114.4	L214 A215	L214-S218 PolarHBondContact O-N 2.93Å; L214-S218 VanDerWaalsContact O-N 3.16Å; A215-S218 WeakPolarHBondContact O-CB 3.5Å; A215-S218 PolarHBondContact O-N 2.96Å; A215-S218 VanDerWaalsContact O-N 3.11Å; A215-S218 PolarHBondContact O-OG 2.73Å
219	T	31.3	Very low	36.5	Very low	108 Å²	108	115.2 Å²	115.2	66%	0.663	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-82.5	-14.2	-179.7	44.5	0	0	0	0	114.2	G216 A217 L221	G216-T219 PolarHBondContact O-OG1 3.23Å; G216-T219 VanDerWaalsContact O-OG1 3.07Å; A217-T219 VanDerWaalsContact C-N 3.31Å; A217-T219 PolarHBondContact O-N 3.09Å; T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 2.99Å
220	L	31.9	Very low	35.1	Very low	148 Å²	148	119.2 Å²	119.2	78%	0.775	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-81.7	-3.8	-180	-88.8	164.7	0	0	0	114.9	A217	A217-L220 PolarHBondContact O-N 3Å
221	L	29.2	Very low	33.8	Very low	156 Å²	156	117.9 Å²	117.9	82%	0.817	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-112.9	19.6	-173.9	-103.2	165.9	0	0	0	114.8	T219	T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 2.99Å
222	K	28.2	Very low	32.6	Very low	186 Å²	186	117.9 Å²	117.9	81%	0.809	67%	0.674	S	S	*	*	S	Bend	trans	-130.7	13.1	-175.4	-116.1	177	-177.4	177.7	0	117.7
223	H	28.1	Very low	32	Very low	184 Å²	184	119.9 Å²	119.9	85%	0.852	69%	0.693	S	S	*	*			trans	-135.7	83	167.7	-96.4	-84.4	0	0	0	110.8
224	L	26.5	Very low	30.7	Very low	165 Å²	165	119.7 Å²	119.7	86%	0.864	70%	0.703	S	S	*	*			trans	-145.5	53.2	175.2	-118.9	169.4	0	0	0	112.3
225	S	23.8	Very low	29.7	Very low	108 Å²	108	121.4 Å²	121.4	76%	0.755	71%	0.708	S	S	*	*			trans	-158.9	130.9	169.5	-60.2	0	0	0	0	105.1
226	T	24.6	Very low	28.7	Very low	127 Å²	127	124.2 Å²	124.2	78%	0.779	72%	0.724	S	S	*	*			cis	-143.7	-176.5	14.7	49.6	0	0	0	0	112.2
227	S	23.7	Very low	28	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	74%	0.741	S	S	*	*			trans	67.8	102.1	163.7	57.6	0	0	0	0	119.7
228	S	25.4	Very low	27.5	Very low	96 Å²	96	130.1 Å²	130.1	67%	0.671	76%	0.758	S	S	*	*			trans	-53.1	173.2	138	31	0	0	0	0	113.3
229	E	26.5	Very low	27	Very low	177 Å²	177	132.9 Å²	132.9	83%	0.827	77%	0.771	S	S	*	*			cis	-159.9	167.4	8.6	-120.1	146.9	-98.1	0	0	106
230	E	26.5	Very low	26.6	Very low	167 Å²	167	130.6 Å²	130.6	78%	0.78	77%	0.769	S	S	*	*			cis	-159.4	-162.2	-2	-150.5	-72.5	92.6	0	0	105.1
231	G	24.9	Very low	26.3	Very low	53 Å²	53	131.8 Å²	131.8	55%	0.546	78%	0.776	S	S	.	*			trans	143.4	4.5	130.5	0	0	0	0	0	121.6
232	S	26.2	Very low	26.1	Very low	114 Å²	114	134 Å²	134	80%	0.797	78%	0.779	S	S	*	*			trans	62.2	172	169.1	-94.5	0	0	0	0	118.6
233	P	38.6	Very low	26.1	Very low	111 Å²	111	130.8 Å²	130.8	72%	0.721	78%	0.78	S	S	*	*			trans	-118	162.9	-144.5	42	-35.4	0	0	0	117.7
234	N	23.1	Very low	26	Very low	139 Å²	139	125.2 Å²	125.2	74%	0.743	77%	0.773	S	S	*	*			trans	-157.9	124	149	-110.2	-39.8	0	0	0	115.5
235	Q	26.1	Very low	26.3	Very low	164 Å²	164	120.5 Å²	120.5	77%	0.766	75%	0.75	S	S	*	*			trans	53.3	122.1	140.5	-67	176.2	59.3	0	0	123.9
236	S	24.6	Very low	26.4	Very low	114 Å²	114	120.2 Å²	120.2	80%	0.797	75%	0.754	S	S	*	*			trans	63.8	103.8	134.3	66.9	0	0	0	0	122.2
237	A	24.6	Very low	26.8	Very low	91 Å²	91	117.5 Å²	117.5	75%	0.752	73%	0.732	S	S	*	*			trans	-156	138.6	131.1	0	0	0	0	0	110.1
238	P	26.9	Very low	27.1	Very low	132 Å²	132	117.1 Å²	117.1	86%	0.857	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-81.5	122.2	176.8	31.4	-32.2	0	0	0	111.4	G240	P238-G240 PolarHBondContact O-N 3.28Å
239	V	27	Very low	27.1	Very low	142 Å²	142	117.1 Å²	117.1	86%	0.861	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-80.4	118.9	171.2	179	0	0	0	0	108.9
240	G	23.2	Very low	27.3	Very low	60 Å²	60	114.8 Å²	114.8	62%	0.619	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-70.1	148.8	-175.5	0	0	0	0	0	114.2	P238 K242	P238-G240 PolarHBondContact O-N 3.28Å; G240-K242 PolarHBondContact O-N 2.98Å
241	N	24.6	Very low	27.6	Very low	173 Å²	173	113.5 Å²	113.5	93%	0.925	72%	0.716	S	S	*	*			trans	-58.1	104	176.8	-71.5	-9.1	0	0	0	111.6	S243	N241-S243 PolarHBondContact O-N 3.42Å
242	K	25.8	Very low	27.6	Very low	204 Å²	204	118.6 Å²	118.6	89%	0.887	73%	0.73	S	S	*	*			trans	-82.3	108.3	156.7	-77.8	-174.1	176.4	178.6	0	108.5	G240 G244	G240-K242 PolarHBondContact O-N 2.98Å; K242-G244 PolarHBondContact O-N 3.14Å
243	S	27.4	Very low	27.6	Very low	117 Å²	117	119.4 Å²	119.4	82%	0.818	73%	0.73	S	S	*	*			trans	-68.8	81.7	169.8	52.7	0	0	0	0	110	N241 V245	N241-S243 PolarHBondContact O-N 3.42Å; S243-V245 PolarHBondContact O-N 3.36Å
244	G	25.1	Very low	26.9	Very low	68 Å²	68	119 Å²	119	70%	0.701	73%	0.729	S	S	*	*			trans	-64.4	123.2	169.9	0	0	0	0	0	109.8	K242 A246	K242-G244 PolarHBondContact O-N 3.14Å; G244-A246 PolarHBondContact O-N 3.38Å
245	V	33.4	Very low	27.2	Very low	66 Å²	66	121.5 Å²	121.5	40%	0.4	74%	0.737	S	S	.	*			trans	-63	124.7	168.5	176.3	0	0	0	0	107.6	S243 F247	S243-V245 PolarHBondContact O-N 3.36Å; V245-F247 VanDerWaalsContact C-N 3.34Å; V245-F247 HydrophobicContact CB-CE2 4.22Å; V245-F247 HydrophobicContact CG1-CE2 4.41Å; V245-F247 WeakPolarHBondContact O-CD2 3.42Å; V245-F247 PolarHBondContact O-N 2.77Å
246	A	26.1	Very low	27.2	Very low	101 Å²	101	118.6 Å²	118.6	84%	0.835	73%	0.73	S	S	*	*			trans	-73.5	88.6	176.4	0	0	0	0	0	109.7	G244 S248	G244-A246 PolarHBondContact O-N 3.38Å; A246-S248 PolarHBondContact O-N 2.83Å
247	F	34	Very low	27.5	Very low	70 Å²	70	118.1 Å²	118.1	31%	0.307	72%	0.724	S	S	.	*			trans	-63.6	128.9	166.1	-70.8	-89.3	0	0	0	108.8	V245 A249 Q515 F518 L544	V245-F247 VanDerWaalsContact C-N 3.34Å; V245-F247 HydrophobicContact CB-CE2 4.22Å; V245-F247 HydrophobicContact CG1-CE2 4.41Å; V245-F247 WeakPolarHBondContact O-CD2 3.42Å; V245-F247 PolarHBondContact O-N 2.77Å; F247-A249 PolarHBondContact O-N 3.12Å; F247-Q515 VanDerWaalsContact CG-OE1 3.24Å; F247-F518 HydrophobicContact CE1-CB 4.49Å; F247-F518 HydrophobicContact CE1-CD1 4.06Å; F247-F518 HydrophobicContact CE1-CD2 4.48Å; F247-F518 HydrophobicContact CE1-CE1 4.48Å; F247-F518 HydrophobicContact CE1-CG 4.07Å; F247-F518 HydrophobicContact CZ-CD1 4.1Å; F247-F518 HydrophobicContact CZ-CE1 4.08Å; F247-F518 HydrophobicContact CZ-CG 4.45Å; F247-F518 HydrophobicContact CZ-CZ 4.4Å; F247-L544 HydrophobicContact CZ-CD1 4.29Å
248	S	29.8	Very low	28	Very low	101 Å²	101	119.9 Å²	119.9	71%	0.706	73%	0.731	S	S	*	*			trans	-66.7	116.2	179.1	-160	0	0	0	0	109.3	A246 E250	A246-S248 PolarHBondContact O-N 2.83Å; S248-E250 PolarHBondContact O-N 2.8Å
249	A	25.5	Very low	28.3	Very low	96 Å²	96	120.8 Å²	120.8	79%	0.793	73%	0.726	S	S	*	*			trans	-85.6	54.7	-169.2	0	0	0	0	0	112.9	F247	F247-A249 PolarHBondContact O-N 3.12Å
250	E	30.4	Very low	29.1	Very low	127 Å²	127	119 Å²	119	59%	0.593	72%	0.715	S	S	*	*			trans	-69.6	131	165.8	-71.1	174.4	176.4	0	0	109	S248 K490	S248-E250 PolarHBondContact O-N 2.8Å; E250-K490 IonicContact OE2-NZ 2.76Å; E250-K490 PolarHBondContact OE2-NZ 2.82Å
251	K	31.7	Very low	30.7	Very low	140 Å²	140	122.7 Å²	122.7	61%	0.609	72%	0.719	S	S	*	*			trans	-94.6	165.7	-171.6	-77.9	-179	-179.8	165.4	0	112.6	V253	K251-V253 PolarHBondContact O-N 2.93Å; K251-V253 VanDerWaalsContact O-N 3.11Å
252	L	24.6	Very low	32.7	Very low	160 Å²	160	115.3 Å²	115.3	84%	0.838	68%	0.679	S	S	*	*			trans	-41.5	110.9	177	-137.8	83.5	0	0	0	112.7	S254	L252-S254 PolarHBondContact O-N 3.06Å
253	V	27.7	Very low	34.9	Very low	131 Å²	131	110.7 Å²	110.7	79%	0.794	67%	0.665	S	S	*	*			trans	-78.1	106.9	165.4	178.9	0	0	0	0	107.4	K251	K251-V253 PolarHBondContact O-N 2.93Å; K251-V253 VanDerWaalsContact O-N 3.11Å
254	S	23.3	Very low	37.4	Very low	102 Å²	102	109 Å²	109	71%	0.713	64%	0.643	S	S	*	*			trans	-78.3	143.8	161.1	-170.8	0	0	0	0	108.4	L252 V256	L252-S254 PolarHBondContact O-N 3.06Å; S254-V256 PolarHBondContact O-N 2.99Å; S254-V256 VanDerWaalsContact O-N 3.11Å
255	E	28.8	Very low	40.2	Very low	192 Å²	192	112.9 Å²	112.9	90%	0.897	64%	0.64	S	S	*	*			trans	-57.4	115.7	-173	-63.7	179.1	122	0	0	112.5
256	V	27.2	Very low	42.6	Very low	104 Å²	104	111.6 Å²	111.6	63%	0.63	63%	0.631	S	S	*	*			trans	-82.1	130.8	166.1	-179.5	0	0	0	0	107.4	S254	S254-V256 PolarHBondContact O-N 2.99Å; S254-V256 VanDerWaalsContact O-N 3.11Å
257	P	30.1	Very low	45.4	Very low	104 Å²	104	107 Å²	107	68%	0.675	59%	0.594	S	S	*	*			trans	-61.7	142.6	-176.5	24.7	-34.7	0	0	0	112	M259	P257-M259 PolarHBondContact O-N 3.34Å
258	S	34.4	Very low	47.9	Very low	127 Å²	127	108.2 Å²	108.2	89%	0.888	60%	0.601	S	S	*	*			trans	-66.9	86.4	-173.5	43.8	0	0	0	0	113.4
259	M	34.3	Very low	50.7	Low	152 Å²	152	108.4 Å²	108.4	75%	0.749	59%	0.59	S	S	*	*			trans	-100.5	127.9	170.3	-63.4	-142.7	70.6	0	0	111.2	P257	P257-M259 PolarHBondContact O-N 3.34Å
260	T	44.4	Very low	53.8	Low	104 Å²	104	103.9 Å²	103.9	64%	0.638	55%	0.553	S	S	*	*			trans	44.8	88.8	177.5	45.5	0	0	0	0	115.1	K197 L262	K197-T260 PolarHBondContact NZ-O 2.9Å; T260-L262 PolarHBondContact O-N 2.33Å
261	I	55.3	Low	56.6	Low	137 Å²	137	103.2 Å²	103.2	70%	0.703	55%	0.548	S	S	*	.			trans	-51.6	131.9	151.6	-63.9	171.6	0	0	0	107.3	D263	I261-D263 PolarHBondContact O-N 2.69Å
262	L	66.5	Low	59.4	Low	18 Å²	18	98.6 Å²	98.6	9%	0.094	54%	0.536	C	S	.	.			trans	-80.3	113.9	172.4	-173.6	78.9	0	0	0	106.8	P193 W194 T260 D266 L432	P193-L262 HydrophobicContact CB-CD1 4.34Å; W194-L262 HydrophobicContact CE3-CD2 3.85Å; W194-L262 HydrophobicContact CZ3-CD2 4.43Å; T260-L262 PolarHBondContact O-N 2.33Å; L262-D266 HydrophobicContact CD1-CB 4Å; L262-D266 HydrophobicContact CG-CB 4.27Å; L262-L432 HydrophobicContact CD2-CD1 3.81Å
263	D	72.4	Confident	62.7	Low	108 Å²	108	91.5 Å²	91.5	58%	0.578	50%	0.498	S	S	*	.			trans	-56.4	142.6	177.7	-88.8	-7.9	0	0	0	110.6	I261 K265 D266 G267	I261-D263 PolarHBondContact O-N 2.69Å; D263-K265 PolarHBondContact O-N 2.8Å; D263-D266 PolarHBondContact O-N 3.02Å; D263-G267 PolarHBondContact O-N 3.45Å; D263-G267 VanDerWaalsContact O-N 3.16Å
264	K	79.8	Confident	65.8	Low	81 Å²	81	85.4 Å²	85.4	35%	0.352	46%	0.461	S	S	.	.	H	α-helix	trans	-46.8	-44	-178.5	-161.7	-176.7	-167.8	-133.5	0	112.8	D266 G267 E268 E440	K264-D266 VanDerWaalsContact C-N 3.26Å; K264-D266 PolarHBondContact O-N 2.78Å; K264-G267 PolarHBondContact O-N 3.04Å; K264-E268 WeakPolarHBondContact CE-OE1 3.44Å; K264-E268 IonicContact NZ-OE1 2.86Å; K264-E268 PolarHBondContact NZ-OE1 3.18Å; K264-E268 WeakPolarHBondContact O-CG 3.43Å; K264-E268 PolarHBondContact O-N 2.7Å; K264-E440 WeakPolarHBondContact CE-OE1 3.47Å; K264-E440 IonicContact NZ-OE1 2.69Å; K264-E440 PolarHBondContact NZ-OE1 3.13Å
265	K	83.8	Confident	69	Low	149 Å²	149	83.9 Å²	83.9	65%	0.648	44%	0.443	S	S	*	.	H	α-helix	trans	-58.1	-35.2	180	-171.6	-165.3	170	-166.9	0	112.7	D263 Q269	D263-K265 PolarHBondContact O-N 2.8Å; K265-Q269 WeakPolarHBondContact O-CB 3.25Å; K265-Q269 VanDerWaalsContact O-CG 3.23Å; K265-Q269 WeakPolarHBondContact O-CG 3.3Å; K265-Q269 PolarHBondContact O-N 3.32Å; K265-Q269 VanDerWaalsContact O-N 3.14Å; K265-Q269 PolarHBondContact O-NE2 3.37Å
266	D	84.7	Confident	72.1	Confident	39 Å²	39	80 Å²	80	21%	0.209	42%	0.423	C	S	.	.	H	α-helix	trans	-85.2	-32.2	-178.5	-67.3	-9.8	0	0	0	111.3	L262 D263 K264 Q269 A270	L262-D266 HydrophobicContact CD1-CB 4Å; L262-D266 HydrophobicContact CG-CB 4.27Å; D263-D266 PolarHBondContact O-N 3.02Å; K264-D266 VanDerWaalsContact C-N 3.26Å; K264-D266 PolarHBondContact O-N 2.78Å; D266-Q269 PolarHBondContact O-N 3.39Å; D266-Q269 PolarHBondContact OD1-NE2 2.98Å; D266-A270 WeakPolarHBondContact O-CB 3.43Å; D266-A270 PolarHBondContact O-N 3.5Å
267	G	85.2	Confident	75.2	Confident	6 Å²	6	75 Å²	75	6%	0.062	39%	0.393	C	S	.	.	H	α-helix	trans	-63.6	-45.5	168.1	0	0	0	0	0	112.9	D263 K264 Q269 A270 K271	D263-G267 PolarHBondContact O-N 3.45Å; D263-G267 VanDerWaalsContact O-N 3.16Å; K264-G267 PolarHBondContact O-N 3.04Å; G267-Q269 PolarHBondContact O-N 3.4Å; G267-A270 PolarHBondContact O-N 2.63Å; G267-K271 WeakPolarHBondContact O-CB 3.41Å; G267-K271 PolarHBondContact O-N 2.89Å
268	E	86.1	Confident	78.1	Confident	95 Å²	95	75 Å²	75	44%	0.444	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-40.4	173.9	-73.6	179.3	-168.7	0	0	111.8	K264 A272	K264-E268 WeakPolarHBondContact CE-OE1 3.44Å; K264-E268 IonicContact NZ-OE1 2.86Å; K264-E268 PolarHBondContact NZ-OE1 3.18Å; K264-E268 WeakPolarHBondContact O-CG 3.43Å; K264-E268 PolarHBondContact O-N 2.7Å; E268-A272 WeakPolarHBondContact O-CB 3.49Å; E268-A272 PolarHBondContact O-N 3Å
269	Q	89.2	Confident	80.8	Confident	105 Å²	105	75.5 Å²	75.5	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-45	173.7	-80.5	172.4	83.9	0	0	112.6	K265 D266 G267 A272 L273	K265-Q269 WeakPolarHBondContact O-CB 3.25Å; K265-Q269 VanDerWaalsContact O-CG 3.23Å; K265-Q269 WeakPolarHBondContact O-CG 3.3Å; K265-Q269 PolarHBondContact O-N 3.32Å; K265-Q269 VanDerWaalsContact O-N 3.14Å; K265-Q269 PolarHBondContact O-NE2 3.37Å; D266-Q269 PolarHBondContact O-N 3.39Å; D266-Q269 PolarHBondContact OD1-NE2 2.98Å; G267-Q269 PolarHBondContact O-N 3.4Å; Q269-A272 CarbonylContact O-C 3.49Å; Q269-A272 PolarHBondContact O-N 3.27Å; Q269-L273 WeakPolarHBondContact O-CB 3.5Å; Q269-L273 PolarHBondContact O-N 3.3Å
270	A	89.8	Confident	83.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-44	177.8	0	0	0	0	0	111.3	W194 D266 G267 A272 L273 F274 F423 L432	W194-A270 HydrophobicContact CB-CB 3.87Å; W194-A270 HydrophobicContact CG-CB 4.1Å; D266-A270 WeakPolarHBondContact O-CB 3.43Å; D266-A270 PolarHBondContact O-N 3.5Å; G267-A270 PolarHBondContact O-N 2.63Å; A270-A272 VanDerWaalsContact C-N 3.34Å; A270-A272 PolarHBondContact O-N 2.74Å; A270-L273 WeakPolarHBondContact O-CA 3.25Å; A270-L273 WeakPolarHBondContact O-CB 3.42Å; A270-L273 PolarHBondContact O-N 2.95Å; A270-F274 WeakPolarHBondContact O-CD2 3.4Å; A270-F274 PolarHBondContact O-N 2.93Å; A270-F423 HydrophobicContact CB-CE1 4.2Å; A270-L432 HydrophobicContact CB-CD1 4.45Å; A270-L432 HydrophobicContact CB-CD2 3.61Å
271	K	89.4	Confident	85.7	Confident	114 Å²	114	66.2 Å²	66.2	50%	0.496	31%	0.311	S	S	.	.	H	α-helix	trans	-58.7	-43	173.7	-174.8	176.5	-177.5	175.4	0	112	G267 L273 E275 L432	G267-K271 WeakPolarHBondContact O-CB 3.41Å; G267-K271 PolarHBondContact O-N 2.89Å; K271-L273 PolarHBondContact O-N 3.49Å; K271-E275 PolarHBondContact O-N 2.94Å; K271-L432 HydrophobicContact CB-CD2 4.37Å
272	A	91.3	Very high	87.3	Confident	43 Å²	43	62.6 Å²	62.6	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-71.2	-9.9	174	0	0	0	0	0	114	E268 Q269 A270 K276	E268-A272 WeakPolarHBondContact O-CB 3.49Å; E268-A272 PolarHBondContact O-N 3Å; Q269-A272 CarbonylContact O-C 3.49Å; Q269-A272 PolarHBondContact O-N 3.27Å; A270-A272 VanDerWaalsContact C-N 3.34Å; A270-A272 PolarHBondContact O-N 2.74Å; A272-K276 WeakPolarHBondContact O-CD 3.45Å; A272-K276 VanDerWaalsContact O-CE 3.32Å; A272-K276 WeakPolarHBondContact O-CE 3.32Å; A272-K276 VanDerWaalsContact O-CG 3.28Å; A272-K276 WeakPolarHBondContact O-CG 3.27Å
273	L	92.8	Very high	88.3	Confident	10 Å²	10	67.1 Å²	67.1	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-95.7	-41.9	176.9	-171.1	55.7	0	0	0	111.7	I185 K188 C189 Q269 A270 K271 E275 K276 V277 F423	I185-L273 HydrophobicContact CG2-CD1 4.2Å; K188-L273 HydrophobicContact CB-CD1 4.17Å; K188-L273 HydrophobicContact CB-CD2 4.12Å; C189-L273 HydrophobicContact CB-CD2 4.48Å; Q269-L273 WeakPolarHBondContact O-CB 3.5Å; Q269-L273 PolarHBondContact O-N 3.3Å; A270-L273 WeakPolarHBondContact O-CA 3.25Å; A270-L273 WeakPolarHBondContact O-CB 3.42Å; A270-L273 PolarHBondContact O-N 2.95Å; K271-L273 PolarHBondContact O-N 3.49Å; L273-E275 VanDerWaalsContact C-N 3.28Å; L273-E275 PolarHBondContact O-N 3.41Å; L273-K276 PolarHBondContact O-N 3.11Å; L273-V277 WeakPolarHBondContact O-CG2 3.32Å; L273-V277 PolarHBondContact O-N 3.5Å; L273-F423 HydrophobicContact CB-CE1 4.24Å; L273-F423 HydrophobicContact CD2-CD2 4.47Å; L273-F423 HydrophobicContact CD2-CE1 4.12Å; L273-F423 HydrophobicContact CD2-CE2 3.86Å; L273-F423 HydrophobicContact CD2-CZ 3.69Å; L273-F423 HydrophobicContact CG-CD1 4.49Å; L273-F423 HydrophobicContact CG-CE1 4.28Å; L273-F423 HydrophobicContact CG-CZ 4.33Å
274	F	92.7	Very high	89.1	Confident	4 Å²	4	62 Å²	62	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-49.5	-49.7	167.5	-84.8	-79.3	0	0	0	111.2	W194 A270 K276 V277 R278 F423 S425 E429 L432	W194-F274 AromaticContact NE1-CE2 3.74Å; W194-F274 AromaticContact NE1-CZ 3.85Å; A270-F274 WeakPolarHBondContact O-CD2 3.4Å; A270-F274 PolarHBondContact O-N 2.93Å; F274-K276 VanDerWaalsContact C-N 3.3Å; F274-K276 PolarHBondContact O-N 3.08Å; F274-V277 PolarHBondContact O-N 2.94Å; F274-R278 PolarHBondContact O-N 2.94Å; F274-F423 HydrophobicContact CD1-CD1 4.06Å; F274-F423 WeakPolarHBondContact CD1-O 3.22Å; F274-F423 AromaticContact CD2-CD1 3.67Å; F274-F423 HydrophobicContact CD2-CD1 3.67Å; F274-F423 AromaticContact CD2-CE1 3.88Å; F274-F423 HydrophobicContact CD2-CE1 3.88Å; F274-F423 HydrophobicContact CE1-CB 4.46Å; F274-F423 HydrophobicContact CE1-CD1 4.02Å; F274-F423 AromaticContact CE2-CD1 3.61Å; F274-F423 HydrophobicContact CE2-CD1 3.61Å; F274-F423 AromaticContact CE2-CE1 3.75Å; F274-F423 HydrophobicContact CE2-CE1 3.75Å; F274-F423 AromaticContact CG-CD1 3.89Å; F274-F423 HydrophobicContact CG-CD1 3.89Å; F274-F423 AromaticContact CZ-CD1 3.79Å; F274-F423 HydrophobicContact CZ-CD1 3.79Å; F274-F423 HydrophobicContact CZ-CE1 4.3Å; F274-S425 WeakPolarHBondContact CE1-O 3.32Å; F274-E429 HydrophobicContact CB-CG 4.29Å; F274-E429 HydrophobicContact CD1-CB 3.87Å; F274-E429 HydrophobicContact CD1-CG 3.98Å; F274-E429 HydrophobicContact CD2-CG 4.12Å; F274-E429 HydrophobicContact CE1-CB 3.75Å; F274-E429 HydrophobicContact CE1-CG 4.3Å; F274-E429 HydrophobicContact CE2-CB 4.43Å; F274-E429 HydrophobicContact CE2-CG 4.45Å; F274-E429 HydrophobicContact CG-CB 4.27Å; F274-E429 HydrophobicContact CG-CG 3.89Å; F274-E429 HydrophobicContact CZ-CB 4.06Å; F274-L432 HydrophobicContact CD2-CD2 3.85Å; F274-L432 HydrophobicContact CE2-CD2 3.65Å
275	E	91.8	Very high	89.4	Confident	70 Å²	70	59.9 Å²	59.9	33%	0.327	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-34.2	178.7	-176.1	60.5	-161.3	0	0	113.3	K271 L273 R278 K279	K271-E275 PolarHBondContact O-N 2.94Å; L273-E275 VanDerWaalsContact C-N 3.28Å; L273-E275 PolarHBondContact O-N 3.41Å; E275-R278 IonicContact OE2-CZ 2.73Å; E275-R278 IonicContact OE2-NH1 2.66Å; E275-R278 PolarHBondContact OE2-NH1 3.4Å; E275-R278 IonicContact OE2-NH2 3.64Å; E275-K279 HydrophobicContact CG-CD 4.45Å; E275-K279 WeakPolarHBondContact O-CB 3.25Å; E275-K279 WeakPolarHBondContact O-CG 3.09Å; E275-K279 PolarHBondContact O-N 2.79Å; E275-K279 WeakPolarHBondContact OE1-CE 3.5Å; E275-K279 IonicContact OE1-NZ 3.65Å; E275-K279 PolarHBondContact OE1-NZ 3.06Å
276	K	92.9	Very high	89.4	Confident	109 Å²	109	60.2 Å²	60.2	47%	0.474	29%	0.294	S	S	.	.	H	α-helix	trans	-75	-41.7	175.8	-73.5	167.8	-169.4	153.9	0	111.7	I185 A272 L273 F274 K279 F280	I185-K276 HydrophobicContact CD1-CB 4.29Å; A272-K276 WeakPolarHBondContact O-CD 3.45Å; A272-K276 VanDerWaalsContact O-CE 3.32Å; A272-K276 WeakPolarHBondContact O-CE 3.32Å; A272-K276 VanDerWaalsContact O-CG 3.28Å; A272-K276 WeakPolarHBondContact O-CG 3.27Å; L273-K276 PolarHBondContact O-N 3.11Å; F274-K276 VanDerWaalsContact C-N 3.3Å; F274-K276 PolarHBondContact O-N 3.08Å; K276-K279 PolarHBondContact O-N 3.03Å; K276-F280 WeakPolarHBondContact O-CB 3.17Å; K276-F280 PolarHBondContact O-N 3.3Å
277	V	93	Very high	89.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-48.3	175.1	168.6	0	0	0	0	110	I185 L273 F274 K279 F280 R281 F420 F423 L424	I185-V277 HydrophobicContact CG2-CG2 3.62Å; L273-V277 WeakPolarHBondContact O-CG2 3.32Å; L273-V277 PolarHBondContact O-N 3.5Å; F274-V277 PolarHBondContact O-N 2.94Å; V277-K279 PolarHBondContact O-N 2.97Å; V277-F280 PolarHBondContact O-N 3.01Å; V277-R281 VanDerWaalsContact O-CB 3.27Å; V277-R281 WeakPolarHBondContact O-CB 3.45Å; V277-R281 PolarHBondContact O-N 3.48Å; V277-F420 HydrophobicContact CG1-CE1 4.14Å; V277-F420 HydrophobicContact CG1-CZ 3.86Å; V277-F420 HydrophobicContact CG2-CE2 4.29Å; V277-F420 HydrophobicContact CG2-CZ 4.19Å; V277-F423 HydrophobicContact CG1-CB 4.48Å; V277-F423 HydrophobicContact CG2-CB 4.14Å; V277-L424 HydrophobicContact CG1-CD2 3.6Å; V277-L424 HydrophobicContact CG1-CG 4.37Å
278	R	91.3	Very high	89.5	Confident	103 Å²	103	60.5 Å²	60.5	39%	0.389	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-44.5	178.8	-147.7	-173.5	-51.3	108.6	2.2	112.4	F274 E275 A282 E429	F274-R278 PolarHBondContact O-N 2.94Å; E275-R278 IonicContact OE2-CZ 2.73Å; E275-R278 IonicContact OE2-NH1 2.66Å; E275-R278 PolarHBondContact OE2-NH1 3.4Å; E275-R278 IonicContact OE2-NH2 3.64Å; R278-A282 PolarHBondContact O-N 2.97Å; R278-E429 IonicContact CZ-OE2 2.67Å; R278-E429 VanDerWaalsContact NH2-CD 3.29Å; R278-E429 IonicContact NH2-OE1 3.84Å; R278-E429 PolarHBondContact NH2-OE1 2.94Å; R278-E429 VanDerWaalsContact NH2-OE1 3.15Å; R278-E429 IonicContact NH2-OE2 3.3Å; R278-E429 PolarHBondContact NH2-OE2 2.96Å
279	K	91.1	Very high	89.7	Confident	137 Å²	137	59 Å²	59	60%	0.596	29%	0.291	S	S	*	.	H	α-helix	trans	-68.7	-40.4	176.7	-80.8	169.2	166.9	153.6	0	113.4	E275 K276 V277 H283	E275-K279 HydrophobicContact CG-CD 4.45Å; E275-K279 WeakPolarHBondContact O-CB 3.25Å; E275-K279 WeakPolarHBondContact O-CG 3.09Å; E275-K279 PolarHBondContact O-N 2.79Å; E275-K279 WeakPolarHBondContact OE1-CE 3.5Å; E275-K279 IonicContact OE1-NZ 3.65Å; E275-K279 PolarHBondContact OE1-NZ 3.06Å; K276-K279 PolarHBondContact O-N 3.03Å; V277-K279 PolarHBondContact O-N 2.97Å; K279-H283 PolarHBondContact O-N 2.89Å
280	F	90.9	Very high	89.9	Confident	7 Å²	7	54 Å²	54	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-70.3	-40.1	179.5	177.9	-103.2	0	0	0	112	H181 F182 I185 K276 V277 A282 H283 V284 F402	H181-F280 HydrophobicContact CB-CD2 4.22Å; H181-F280 HydrophobicContact CB-CE2 3.81Å; H181-F280 AromaticContact CD2-CD2 3.24Å; H181-F280 WeakPolarHBondContact CD2-CD2 3.16Å; H181-F280 AromaticContact CD2-CE2 3.73Å; H181-F280 AromaticContact CD2-CG 3.87Å; H181-F280 AromaticContact CG-CD2 3.88Å; F182-F280 HydrophobicContact CB-CE1 3.99Å; F182-F280 HydrophobicContact CB-CZ 3.69Å; F182-F280 AromaticContact CD2-CE1 3.86Å; F182-F280 HydrophobicContact CD2-CE1 3.86Å; F182-F280 HydrophobicContact CD2-CZ 4.41Å; F182-F280 HydrophobicContact CG-CE1 4.41Å; I185-F280 HydrophobicContact CD1-CB 3.48Å; I185-F280 VanDerWaalsContact CD1-CB 3.48Å; I185-F280 HydrophobicContact CD1-CD1 4.02Å; I185-F280 HydrophobicContact CD1-CD2 4.33Å; I185-F280 HydrophobicContact CD1-CG 3.67Å; K276-F280 WeakPolarHBondContact O-CB 3.17Å; K276-F280 PolarHBondContact O-N 3.3Å; V277-F280 PolarHBondContact O-N 3.01Å; F280-A282 PolarHBondContact O-N 3.07Å; F280-H283 PolarHBondContact O-N 2.84Å; F280-H283 VanDerWaalsContact O-N 3.14Å; F280-V284 HydrophobicContact CD2-CG2 4.01Å; F280-V284 HydrophobicContact CE1-CG2 4.01Å; F280-V284 HydrophobicContact CE2-CG2 3.43Å; F280-V284 VanDerWaalsContact CE2-CG2 3.43Å; F280-V284 HydrophobicContact CZ-CB 4.34Å; F280-V284 HydrophobicContact CZ-CG2 3.43Å; F280-V284 VanDerWaalsContact CZ-CG2 3.43Å; F280-V284 WeakPolarHBondContact O-CG2 3.31Å; F280-V284 PolarHBondContact O-N 2.91Å; F280-V284 VanDerWaalsContact O-N 3.16Å; F280-F402 HydrophobicContact CD1-CD2 4.25Å; F280-F402 AromaticContact CD1-CE2 3.78Å; F280-F402 HydrophobicContact CD1-CE2 3.78Å; F280-F402 AromaticContact CE1-CD2 3.88Å; F280-F402 HydrophobicContact CE1-CD2 3.88Å; F280-F402 AromaticContact CE1-CE2 3.74Å; F280-F402 HydrophobicContact CE1-CE2 3.74Å
281	R	90.8	Very high	90	Very high	55 Å²	55	55.7 Å²	55.7	21%	0.208	27%	0.274	C	S	.	.	H	α-helix	trans	-50.2	-57.5	172	177.5	-174.3	174.2	166.9	17.7	110.7	V277 H283 V284 E285 D397	V277-R281 VanDerWaalsContact O-CB 3.27Å; V277-R281 WeakPolarHBondContact O-CB 3.45Å; V277-R281 PolarHBondContact O-N 3.48Å; R281-H283 VanDerWaalsContact C-N 3.27Å; R281-H283 PolarHBondContact O-N 2.9Å; R281-V284 PolarHBondContact O-N 3.05Å; R281-E285 HydrophobicContact CG-CG 4.08Å; R281-E285 VanDerWaalsContact CG-OE2 3.25Å; R281-E285 WeakPolarHBondContact CG-OE2 3.32Å; R281-E285 IonicContact CZ-OE1 3.15Å; R281-E285 IonicContact CZ-OE2 3.56Å; R281-E285 IonicContact NE-OE1 2.8Å; R281-E285 PolarHBondContact NE-OE1 2.92Å; R281-E285 VanDerWaalsContact NE-OE1 3.1Å; R281-E285 IonicContact NE-OE2 2.88Å; R281-E285 PolarHBondContact NE-OE2 3.4Å; R281-E285 IonicContact NH2-OE1 2.69Å; R281-E285 PolarHBondContact NH2-OE1 2.84Å; R281-E285 IonicContact NH2-OE2 2.69Å; R281-E285 PolarHBondContact NH2-OE2 2.8Å; R281-E285 PolarHBondContact O-N 2.95Å; R281-D397 PolarHBondContact NH2-O 2.81Å
282	A	88.3	Confident	90	Very high	60 Å²	60	57.1 Å²	57.1	50%	0.496	28%	0.276	S	S	.	.	H	α-helix	trans	-56.8	-37.8	178.8	0	0	0	0	0	113	R278 F280 V284	R278-A282 PolarHBondContact O-N 2.97Å; F280-A282 PolarHBondContact O-N 3.07Å; A282-V284 VanDerWaalsContact C-N 3.3Å; A282-V284 PolarHBondContact O-N 2.92Å
283	H	87.8	Confident	90	Very high	114 Å²	114	56.3 Å²	56.3	53%	0.528	27%	0.266	S	S	.	.	H	α-helix	trans	-72	-17.1	178.7	-175.2	68.6	0	0	0	114.8	K178 K279 F280 R281	K178-H283 WeakPolarHBondContact CE-NE2 3.35Å; K178-H283 PolarHBondContact NZ-O 2.81Å; K279-H283 PolarHBondContact O-N 2.89Å; F280-H283 PolarHBondContact O-N 2.84Å; F280-H283 VanDerWaalsContact O-N 3.14Å; R281-H283 VanDerWaalsContact C-N 3.27Å; R281-H283 PolarHBondContact O-N 2.9Å
284	V	87.7	Confident	90	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-115.7	-27.4	-174.3	-175.7	0	0	0	0	113.5	K178 F280 R281 A282 D286 S287 D401 F402	K178-V284 HydrophobicContact CD-CG2 4.07Å; K178-V284 HydrophobicContact CG-CG2 4.43Å; F280-V284 HydrophobicContact CD2-CG2 4.01Å; F280-V284 HydrophobicContact CE1-CG2 4.01Å; F280-V284 HydrophobicContact CE2-CG2 3.43Å; F280-V284 VanDerWaalsContact CE2-CG2 3.43Å; F280-V284 HydrophobicContact CZ-CB 4.34Å; F280-V284 HydrophobicContact CZ-CG2 3.43Å; F280-V284 VanDerWaalsContact CZ-CG2 3.43Å; F280-V284 WeakPolarHBondContact O-CG2 3.31Å; F280-V284 PolarHBondContact O-N 2.91Å; F280-V284 VanDerWaalsContact O-N 3.16Å; R281-V284 PolarHBondContact O-N 3.05Å; A282-V284 VanDerWaalsContact C-N 3.3Å; A282-V284 PolarHBondContact O-N 2.92Å; V284-D286 PolarHBondContact O-N 3.1Å; V284-S287 WeakPolarHBondContact O-CB 3.31Å; V284-S287 PolarHBondContact O-N 2.92Å; V284-D401 HydrophobicContact CG1-CB 3.76Å; V284-F402 HydrophobicContact CB-CB 4.34Å; V284-F402 HydrophobicContact CB-CD2 4.25Å; V284-F402 HydrophobicContact CG1-CB 3.93Å; V284-F402 HydrophobicContact CG1-CD2 4.36Å
285	E	87.7	Confident	90	Very high	36 Å²	36	56.4 Å²	56.4	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-28.1	173.6	-73.2	-174.9	138.1	0	0	113.1	R281 S287 V398 K399 N400 F402	R281-E285 HydrophobicContact CG-CG 4.08Å; R281-E285 VanDerWaalsContact CG-OE2 3.25Å; R281-E285 WeakPolarHBondContact CG-OE2 3.32Å; R281-E285 IonicContact CZ-OE1 3.15Å; R281-E285 IonicContact CZ-OE2 3.56Å; R281-E285 IonicContact NE-OE1 2.8Å; R281-E285 PolarHBondContact NE-OE1 2.92Å; R281-E285 VanDerWaalsContact NE-OE1 3.1Å; R281-E285 IonicContact NE-OE2 2.88Å; R281-E285 PolarHBondContact NE-OE2 3.4Å; R281-E285 IonicContact NH2-OE1 2.69Å; R281-E285 PolarHBondContact NH2-OE1 2.84Å; R281-E285 IonicContact NH2-OE2 2.69Å; R281-E285 PolarHBondContact NH2-OE2 2.8Å; R281-E285 PolarHBondContact O-N 2.95Å; E285-S287 PolarHBondContact O-N 3.4Å; E285-S287 VanDerWaalsContact O-N 3.13Å; E285-V398 VanDerWaalsContact OE1-CA 3.27Å; E285-V398 WeakPolarHBondContact OE1-CA 3.46Å; E285-V398 WeakPolarHBondContact OE1-CB 3.43Å; E285-K399 PolarHBondContact OE1-N 2.85Å; E285-N400 WeakPolarHBondContact O-CB 3.29Å; E285-N400 PolarHBondContact O-ND2 2.83Å; E285-F402 HydrophobicContact CG-CB 4.15Å
286	D	83.3	Confident	90	Very high	156 Å²	156	57.5 Å²	57.5	83%	0.834	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	1.4	174.6	-76.6	-10.4	0	0	0	114.7	V284	V284-D286 PolarHBondContact O-N 3.1Å
287	S	84.9	Confident	89.9	Confident	19 Å²	19	52.8 Å²	52.8	13%	0.133	26%	0.255	C	S	.	.			trans	-129.4	134.6	-164.3	-177.6	0	0	0	0	111.6	K178 V284 E285 N400 D401	K178-S287 PolarHBondContact NZ-OG 3.23Å; V284-S287 WeakPolarHBondContact O-CB 3.31Å; V284-S287 PolarHBondContact O-N 2.92Å; E285-S287 PolarHBondContact O-N 3.4Å; E285-S287 VanDerWaalsContact O-N 3.13Å; S287-N400 WeakPolarHBondContact O-CB 3.16Å; S287-D401 VanDerWaalsContact C-CG 3.46Å; S287-D401 VanDerWaalsContact CB-OD2 3.3Å; S287-D401 WeakPolarHBondContact CB-OD2 3.49Å; S287-D401 WeakPolarHBondContact O-CB 3.17Å; S287-D401 PolarHBondContact O-N 2.95Å; S287-D401 PolarHBondContact OG-OD2 3.43Å
288	D	87.5	Confident	89.8	Confident	33 Å²	33	52.9 Å²	52.9	18%	0.176	26%	0.256	C	S	.	.			trans	-124.1	22.1	170.1	80.2	-23.1	0	0	0	113.5	R292 K379 N400 D401	D288-R292 WeakPolarHBondContact O-CB 3.31Å; D288-R292 VanDerWaalsContact O-CG 3.26Å; D288-R292 WeakPolarHBondContact O-CG 3.46Å; D288-R292 PolarHBondContact O-N 2.94Å; D288-R292 IonicContact OD1-CZ 3.77Å; D288-R292 VanDerWaalsContact OD1-CZ 3.28Å; D288-R292 IonicContact OD1-NE 3.76Å; D288-R292 PolarHBondContact OD1-NE 2.85Å; D288-R292 IonicContact OD1-NH2 2.63Å; D288-R292 PolarHBondContact OD1-NH2 2.84Å; D288-R292 IonicContact OD2-CZ 3.71Å; D288-R292 VanDerWaalsContact OD2-CZ 3.31Å; D288-R292 IonicContact OD2-NE 2.7Å; D288-R292 PolarHBondContact OD2-NE 2.88Å; D288-R292 IonicContact OD2-NH2 3.4Å; D288-R292 PolarHBondContact OD2-NH2 3.1Å; D288-K379 IonicContact OD2-NZ 3.69Å; D288-K379 PolarHBondContact OD2-NZ 3.47Å; D288-N400 HydrophobicContact CB-CB 4.33Å; D288-D401 VanDerWaalsContact CA-CG 3.49Å; D288-D401 VanDerWaalsContact CA-OD1 3.23Å; D288-D401 WeakPolarHBondContact CA-OD1 3.28Å; D288-D401 PolarHBondContact N-OD2 2.9Å
289	L	90.4	Very high	89.9	Confident	64 Å²	64	50.9 Å²	50.9	34%	0.335	26%	0.255	S	S	.	.	H	α-helix	trans	-69.1	-41.2	-176.7	-176.8	72.5	0	0	0	112.6	K174 T175 L293 D401	K174-L289 HydrophobicContact CB-CD2 3.64Å; T175-L289 HydrophobicContact CG2-CD2 3.77Å; T175-L289 HydrophobicContact CG2-CG 3.83Å; L289-L293 VanDerWaalsContact O-CB 3.24Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 PolarHBondContact O-N 3.1Å; L289-D401 PolarHBondContact N-OD1 3.34Å; L289-D401 PolarHBondContact N-OD2 3.31Å
290	I	91.9	Very high	89.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67	-49	179.9	-54.1	176	0	0	0	109.1	W169 T175 K178 V179 R292 L293 Y294 D401 F404 L405	W169-I290 HydrophobicContact CE3-CG2 3.76Å; W169-I290 HydrophobicContact CZ3-CG2 3.77Å; T175-I290 HydrophobicContact CG2-CB 4.46Å; T175-I290 HydrophobicContact CG2-CG1 3.84Å; K178-I290 HydrophobicContact CB-CD1 4.04Å; V179-I290 HydrophobicContact CG2-CD1 4.17Å; I290-R292 PolarHBondContact O-N 3.24Å; I290-L293 PolarHBondContact O-N 3.01Å; I290-Y294 WeakPolarHBondContact O-CB 3.45Å; I290-Y294 PolarHBondContact O-N 3.27Å; I290-D401 WeakPolarHBondContact CA-OD1 3.48Å; I290-D401 HydrophobicContact CB-CB 4.28Å; I290-D401 VanDerWaalsContact CB-OD1 3.31Å; I290-D401 WeakPolarHBondContact CB-OD1 3.43Å; I290-D401 HydrophobicContact CD1-CB 4.14Å; I290-D401 HydrophobicContact CG1-CB 4.28Å; I290-D401 VanDerWaalsContact N-CG 3.31Å; I290-D401 PolarHBondContact N-OD1 2.84Å; I290-D401 PolarHBondContact N-OD2 2.67Å; I290-D401 VanDerWaalsContact N-OD2 3.14Å; I290-F404 HydrophobicContact CG2-CD1 3.97Å; I290-F404 HydrophobicContact CG2-CE1 3.99Å; I290-L405 HydrophobicContact CD1-CD1 3.84Å; I290-L405 HydrophobicContact CD1-CD2 4.42Å; I290-L405 HydrophobicContact CD1-CG 4.28Å; I290-L405 HydrophobicContact CG2-CD2 4.42Å
291	Y	91.7	Very high	89.9	Confident	35 Å²	35	48.1 Å²	48.1	14%	0.137	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-49.1	175.9	172.8	-97.1	0	0	0	111.7	L293 Y294 A295 L373 L378 K379 D401 F404	Y291-L293 VanDerWaalsContact C-N 3.34Å; Y291-L293 PolarHBondContact O-N 2.65Å; Y291-Y294 PolarHBondContact O-N 2.91Å; Y291-A295 WeakPolarHBondContact O-CB 3.47Å; Y291-A295 PolarHBondContact O-N 3.21Å; Y291-L373 HydrophobicContact CE2-CD1 4.01Å; Y291-L373 HydrophobicContact CE2-CG 4.35Å; Y291-L378 HydrophobicContact CE2-CB 4.17Å; Y291-K379 HydrophobicContact CD1-CG 4.29Å; Y291-K379 HydrophobicContact CE1-CG 4.38Å; Y291-K379 HydrophobicContact CG-CG 4.44Å; Y291-D401 PolarHBondContact N-OD1 3.24Å; Y291-F404 HydrophobicContact CD2-CB 4.42Å; Y291-F404 AromaticContact CD2-CD2 3.76Å; Y291-F404 HydrophobicContact CD2-CD2 3.76Å; Y291-F404 HydrophobicContact CD2-CE2 4.29Å; Y291-F404 HydrophobicContact CD2-CG 4.09Å
292	R	90.6	Very high	90	Very high	143 Å²	143	46 Å²	46	54%	0.54	24%	0.24	S	C	.	.	H	α-helix	trans	-59.6	-42.9	177.5	-77.4	-176.5	-157.8	-153.2	11	112.1	D288 I290 A295 I296	D288-R292 WeakPolarHBondContact O-CB 3.31Å; D288-R292 VanDerWaalsContact O-CG 3.26Å; D288-R292 WeakPolarHBondContact O-CG 3.46Å; D288-R292 PolarHBondContact O-N 2.94Å; D288-R292 IonicContact OD1-CZ 3.77Å; D288-R292 VanDerWaalsContact OD1-CZ 3.28Å; D288-R292 IonicContact OD1-NE 3.76Å; D288-R292 PolarHBondContact OD1-NE 2.85Å; D288-R292 IonicContact OD1-NH2 2.63Å; D288-R292 PolarHBondContact OD1-NH2 2.84Å; D288-R292 IonicContact OD2-CZ 3.71Å; D288-R292 VanDerWaalsContact OD2-CZ 3.31Å; D288-R292 IonicContact OD2-NE 2.7Å; D288-R292 PolarHBondContact OD2-NE 2.88Å; D288-R292 IonicContact OD2-NH2 3.4Å; D288-R292 PolarHBondContact OD2-NH2 3.1Å; I290-R292 PolarHBondContact O-N 3.24Å; R292-A295 PolarHBondContact O-N 3.47Å; R292-I296 WeakPolarHBondContact O-CB 3.27Å; R292-I296 WeakPolarHBondContact O-CD1 3.4Å; R292-I296 WeakPolarHBondContact O-CG1 3.41Å; R292-I296 PolarHBondContact O-N 3.38Å
293	L	91.6	Very high	90.2	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.141	24%	0.238	C	C	.	.	H	α-helix	trans	-68.9	-40.6	-177.6	-169.5	57.8	0	0	0	111.7	F168 W169 Y172 T175 L289 I290 Y291 A295 I296 Q297	F168-L293 HydrophobicContact CD1-CD1 3.86Å; F168-L293 HydrophobicContact CD1-CD2 3.95Å; F168-L293 HydrophobicContact CD1-CG 4.2Å; F168-L293 HydrophobicContact CE1-CD1 3.87Å; F168-L293 HydrophobicContact CE1-CD2 4.04Å; F168-L293 HydrophobicContact CE1-CG 4.48Å; W169-L293 HydrophobicContact CB-CD2 3.89Å; W169-L293 HydrophobicContact CB-CG 4.08Å; Y172-L293 HydrophobicContact CD1-CD2 3.99Å; Y172-L293 HydrophobicContact CG-CD2 4.38Å; T175-L293 HydrophobicContact CG2-CD2 3.91Å; L289-L293 VanDerWaalsContact O-CB 3.24Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 PolarHBondContact O-N 3.1Å; I290-L293 PolarHBondContact O-N 3.01Å; Y291-L293 VanDerWaalsContact C-N 3.34Å; Y291-L293 PolarHBondContact O-N 2.65Å; L293-A295 VanDerWaalsContact C-N 3.35Å; L293-I296 PolarHBondContact O-N 3.16Å; L293-Q297 WeakPolarHBondContact O-CG 3.43Å; L293-Q297 PolarHBondContact O-N 3.44Å
294	Y	92.1	Very high	90.3	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-36.3	173.7	-171.9	-81.7	0	0	0	112.2	W24 D25 W169 I290 Y291 Q297 T298 L373 F404 M408	W24-Y294 PolarHBondContact NE1-OH 3.28Å; D25-Y294 PolarHBondContact OD2-OH 3.36Å; W169-Y294 HydrophobicContact CD2-CD2 4.46Å; W169-Y294 AromaticContact CE2-CD2 3.99Å; W169-Y294 HydrophobicContact CZ2-CD2 4.22Å; W169-Y294 HydrophobicContact CZ2-CE2 4.47Å; I290-Y294 WeakPolarHBondContact O-CB 3.45Å; I290-Y294 PolarHBondContact O-N 3.27Å; Y291-Y294 PolarHBondContact O-N 2.91Å; Y294-Q297 VanDerWaalsContact CD2-NE2 3.26Å; Y294-Q297 WeakPolarHBondContact O-CG 3.31Å; Y294-T298 WeakPolarHBondContact O-CB 3.33Å; Y294-T298 PolarHBondContact O-N 2.86Å; Y294-T298 PolarHBondContact O-OG1 2.72Å; Y294-L373 HydrophobicContact CD1-CD1 3.81Å; Y294-L373 HydrophobicContact CE1-CD1 4.03Å; Y294-F404 HydrophobicContact CD1-CE2 4.18Å; Y294-F404 AromaticContact CD1-CZ 3.68Å; Y294-F404 HydrophobicContact CD1-CZ 3.68Å; Y294-F404 HydrophobicContact CD2-CE1 4.48Å; Y294-F404 AromaticContact CD2-CZ 3.96Å; Y294-F404 HydrophobicContact CD2-CZ 3.96Å; Y294-F404 HydrophobicContact CE1-CZ 4.26Å; Y294-F404 HydrophobicContact CG-CE1 4.15Å; Y294-F404 HydrophobicContact CG-CE2 4.44Å; Y294-F404 AromaticContact CG-CZ 3.51Å; Y294-F404 HydrophobicContact CG-CZ 3.51Å; Y294-M408 HydrophobicContact CD2-CE 4.32Å; Y294-M408 HydrophobicContact CE2-CE 3.6Å
295	A	91.9	Very high	90.5	Very high	14 Å²	14	46.1 Å²	46.1	12%	0.116	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-50.5	172.7	0	0	0	0	0	111.9	Y291 R292 L293 Q297 T298 V299 L373	Y291-A295 WeakPolarHBondContact O-CB 3.47Å; Y291-A295 PolarHBondContact O-N 3.21Å; R292-A295 PolarHBondContact O-N 3.47Å; L293-A295 VanDerWaalsContact C-N 3.35Å; A295-Q297 PolarHBondContact O-N 3.23Å; A295-T298 PolarHBondContact O-N 3.27Å; A295-V299 WeakPolarHBondContact O-CG2 3.44Å; A295-V299 PolarHBondContact O-N 2.99Å; A295-L373 HydrophobicContact CB-CD2 3.68Å
296	I	91.6	Very high	90.8	Very high	93 Å²	93	48.4 Å²	48.4	48%	0.477	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-44.8	-177.2	-71.1	164.6	0	0	0	111.3	R292 L293 T298 V299 I300	R292-I296 WeakPolarHBondContact O-CB 3.27Å; R292-I296 WeakPolarHBondContact O-CD1 3.4Å; R292-I296 WeakPolarHBondContact O-CG1 3.41Å; R292-I296 PolarHBondContact O-N 3.38Å; L293-I296 PolarHBondContact O-N 3.16Å; I296-T298 VanDerWaalsContact C-N 3.31Å; I296-T298 PolarHBondContact O-N 3.38Å; I296-V299 PolarHBondContact O-N 3.4Å; I296-I300 HydrophobicContact CG2-CD1 3.65Å; I296-I300 HydrophobicContact CG2-CG1 4.4Å; I296-I300 WeakPolarHBondContact O-CB 3.47Å; I296-I300 VanDerWaalsContact O-CG1 3.27Å; I296-I300 WeakPolarHBondContact O-CG1 3.45Å; I296-I300 PolarHBondContact O-N 3.13Å
297	Q	91.6	Very high	91.3	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-36.8	177.5	75	-170.7	8.8	0	0	112	S165 W169 L293 Y294 A295 I300 K301	S165-Q297 PolarHBondContact O-OE1 3.42Å; W169-Q297 VanDerWaalsContact CD1-OE1 3.27Å; L293-Q297 WeakPolarHBondContact O-CG 3.43Å; L293-Q297 PolarHBondContact O-N 3.44Å; Y294-Q297 VanDerWaalsContact CD2-NE2 3.26Å; Y294-Q297 WeakPolarHBondContact O-CG 3.31Å; A295-Q297 PolarHBondContact O-N 3.23Å; Q297-I300 PolarHBondContact O-N 3.23Å; Q297-K301 WeakPolarHBondContact O-CB 3.37Å; Q297-K301 WeakPolarHBondContact O-CG 3.24Å; Q297-K301 PolarHBondContact O-N 3.21Å
298	T	91.6	Very high	91.7	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-39.7	178.5	-53.5	0	0	0	0	111.9	Y294 A295 I296 T302 L370	Y294-T298 WeakPolarHBondContact O-CB 3.33Å; Y294-T298 PolarHBondContact O-N 2.86Å; Y294-T298 PolarHBondContact O-OG1 2.72Å; A295-T298 PolarHBondContact O-N 3.27Å; I296-T298 VanDerWaalsContact C-N 3.31Å; I296-T298 PolarHBondContact O-N 3.38Å; T298-T302 PolarHBondContact O-N 3.05Å; T298-T302 PolarHBondContact O-OG1 3.04Å; T298-L370 HydrophobicContact CG2-CB 4.28Å; T298-L370 HydrophobicContact CG2-CD1 4.01Å
299	V	92.6	Very high	91.9	Very high	61 Å²	61	45.2 Å²	45.2	37%	0.37	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-47.7	171.2	172.2	0	0	0	0	110.6	A295 I296 K301 T302 V303 L370	A295-V299 WeakPolarHBondContact O-CG2 3.44Å; A295-V299 PolarHBondContact O-N 2.99Å; I296-V299 PolarHBondContact O-N 3.4Å; V299-K301 PolarHBondContact O-N 3.15Å; V299-T302 PolarHBondContact O-N 2.89Å; V299-V303 HydrophobicContact CG1-CG2 4.42Å; V299-V303 WeakPolarHBondContact O-CG2 3.47Å; V299-V303 PolarHBondContact O-N 3.06Å; V299-L370 HydrophobicContact CG2-CD1 3.77Å
300	I	91.4	Very high	91.9	Very high	83 Å²	83	46 Å²	46	43%	0.426	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-44.4	179.8	-70.4	169.2	0	0	0	111.3	I296 Q297 T302 V303 K304	I296-I300 HydrophobicContact CG2-CD1 3.65Å; I296-I300 HydrophobicContact CG2-CG1 4.4Å; I296-I300 WeakPolarHBondContact O-CB 3.47Å; I296-I300 VanDerWaalsContact O-CG1 3.27Å; I296-I300 WeakPolarHBondContact O-CG1 3.45Å; I296-I300 PolarHBondContact O-N 3.13Å; Q297-I300 PolarHBondContact O-N 3.23Å; I300-T302 PolarHBondContact O-N 2.84Å; I300-V303 PolarHBondContact O-N 3.3Å; I300-K304 HydrophobicContact CG2-CG 4.38Å; I300-K304 WeakPolarHBondContact O-CB 3.43Å; I300-K304 VanDerWaalsContact O-CG 3.3Å; I300-K304 WeakPolarHBondContact O-CG 3.44Å; I300-K304 PolarHBondContact O-N 3.26Å
301	K	91.1	Very high	91.9	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	25%	0.248	C	C	.	.	H	α-helix	trans	-55	-49.8	172.7	-79	174.7	172.3	-170.1	0	111.5	L162 S165 S166 Q297 V299 V303 K304 F305 Y362	L162-K301 HydrophobicContact CD2-CG 4.34Å; S165-K301 WeakPolarHBondContact OG-CG 3.39Å; S166-K301 VanDerWaalsContact OG-CE 3.29Å; S166-K301 WeakPolarHBondContact OG-CE 3.33Å; S166-K301 PolarHBondContact OG-NZ 3.09Å; Q297-K301 WeakPolarHBondContact O-CB 3.37Å; Q297-K301 WeakPolarHBondContact O-CG 3.24Å; Q297-K301 PolarHBondContact O-N 3.21Å; V299-K301 PolarHBondContact O-N 3.15Å; K301-V303 PolarHBondContact O-N 2.6Å; K301-K304 PolarHBondContact O-N 3.03Å; K301-F305 WeakPolarHBondContact O-CB 3.27Å; K301-F305 PolarHBondContact O-N 2.94Å; K301-Y362 WeakPolarHBondContact CE-OH 3.48Å
302	T	91.8	Very high	91.8	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-43.6	-178.2	-53.5	0	0	0	0	111.8	T298 V299 I300 F305 I306 I367 L370	T298-T302 PolarHBondContact O-N 3.05Å; T298-T302 PolarHBondContact O-OG1 3.04Å; V299-T302 PolarHBondContact O-N 2.89Å; I300-T302 PolarHBondContact O-N 2.84Å; T302-F305 WeakPolarHBondContact O-CB 3.43Å; T302-F305 PolarHBondContact O-N 2.95Å; T302-I306 HydrophobicContact CG2-CD1 4.26Å; T302-I306 WeakPolarHBondContact O-CG1 3.5Å; T302-I306 PolarHBondContact O-N 3.07Å; T302-I367 HydrophobicContact CG2-CG1 4.31Å; T302-L370 HydrophobicContact CG2-CD2 4.27Å
303	V	92.7	Very high	91.6	Very high	77 Å²	77	45 Å²	45	47%	0.467	24%	0.238	S	C	.	.	H	α-helix	trans	-64.4	-41.6	175.2	172.5	0	0	0	0	111.4	V299 I300 K301 I306 L307	V299-V303 HydrophobicContact CG1-CG2 4.42Å; V299-V303 WeakPolarHBondContact O-CG2 3.47Å; V299-V303 PolarHBondContact O-N 3.06Å; I300-V303 PolarHBondContact O-N 3.3Å; K301-V303 PolarHBondContact O-N 2.6Å; V303-I306 PolarHBondContact O-N 3.03Å; V303-L307 HydrophobicContact CG1-CD1 4.02Å; V303-L307 VanDerWaalsContact O-CG 3.32Å; V303-L307 WeakPolarHBondContact O-CG 3.48Å; V303-L307 PolarHBondContact O-N 2.61Å
304	K	91.3	Very high	91.5	Very high	83 Å²	83	47.7 Å²	47.7	36%	0.361	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-42	175.1	-73.3	-68.3	-177.3	-175.7	0	112	L162 I300 K301 L307 I308	L162-K304 HydrophobicContact CD2-CB 4.31Å; I300-K304 HydrophobicContact CG2-CG 4.38Å; I300-K304 WeakPolarHBondContact O-CB 3.43Å; I300-K304 VanDerWaalsContact O-CG 3.3Å; I300-K304 WeakPolarHBondContact O-CG 3.44Å; I300-K304 PolarHBondContact O-N 3.26Å; K301-K304 PolarHBondContact O-N 3.03Å; K304-L307 PolarHBondContact O-N 2.78Å; K304-I308 WeakPolarHBondContact O-CB 3.42Å; K304-I308 WeakPolarHBondContact O-CD1 3.32Å; K304-I308 WeakPolarHBondContact O-CG1 3.4Å; K304-I308 PolarHBondContact O-N 3.47Å
305	F	92.1	Very high	91.2	Very high	16 Å²	16	49.2 Å²	49.2	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-55.4	-51.9	172.8	152.7	-108.9	0	0	0	111.5	K301 T302 L307 I308 L309 I359 G363 I367	K301-F305 WeakPolarHBondContact O-CB 3.27Å; K301-F305 PolarHBondContact O-N 2.94Å; T302-F305 WeakPolarHBondContact O-CB 3.43Å; T302-F305 PolarHBondContact O-N 2.95Å; F305-L307 PolarHBondContact O-N 2.82Å; F305-I308 PolarHBondContact O-N 2.83Å; F305-L309 HydrophobicContact CE2-CB 4.24Å; F305-L309 HydrophobicContact CE2-CD2 3.9Å; F305-L309 HydrophobicContact CZ-CD2 3.76Å; F305-L309 WeakPolarHBondContact O-CB 3.34Å; F305-L309 PolarHBondContact O-N 3.04Å; F305-I359 HydrophobicContact CD2-CG2 3.78Å; F305-I359 VanDerWaalsContact CD2-O 3.28Å; F305-I359 WeakPolarHBondContact CD2-O 3.46Å; F305-I359 HydrophobicContact CE2-CG2 4.04Å; F305-I359 WeakPolarHBondContact CE2-O 3.32Å; F305-G363 VanDerWaalsContact CD2-CA 3.46Å; F305-G363 VanDerWaalsContact CG-CA 3.47Å; F305-I367 HydrophobicContact CE1-CD1 4.1Å
306	I	92.9	Very high	90.8	Very high	84 Å²	84	49.9 Å²	49.9	43%	0.431	27%	0.266	S	S	.	.	H	α-helix	trans	-59.4	-48	-179.6	-67.3	164.4	0	0	0	110.6	T302 V303 I308 L309 C310	T302-I306 HydrophobicContact CG2-CD1 4.26Å; T302-I306 WeakPolarHBondContact O-CG1 3.5Å; T302-I306 PolarHBondContact O-N 3.07Å; V303-I306 PolarHBondContact O-N 3.03Å; I306-I308 PolarHBondContact O-N 3.15Å; I306-L309 PolarHBondContact O-N 3.16Å; I306-C310 WeakPolarHBondContact O-CB 3.4Å; I306-C310 PolarHBondContact O-N 3.39Å; I306-C310 PolarHBondContact O-SG 3.36Å
307	L	93.4	Very high	90.4	Very high	97 Å²	97	49.1 Å²	49.1	51%	0.508	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-44.6	178.3	-70.8	170	0	0	0	112.3	V303 K304 F305 C310 Y311	V303-L307 HydrophobicContact CG1-CD1 4.02Å; V303-L307 VanDerWaalsContact O-CG 3.32Å; V303-L307 WeakPolarHBondContact O-CG 3.48Å; V303-L307 PolarHBondContact O-N 2.61Å; K304-L307 PolarHBondContact O-N 2.78Å; F305-L307 PolarHBondContact O-N 2.82Å; L307-C310 PolarHBondContact O-N 2.85Å; L307-Y311 WeakPolarHBondContact O-CD1 3.4Å; L307-Y311 PolarHBondContact O-N 2.83Å
308	I	93.1	Very high	90	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-47.3	177.5	-67.3	161.1	0	0	0	110.5	H158 L162 K304 F305 I306 C310 Y311 T312 Y355 I359	H158-I308 HydrophobicContact CB-CD1 3.8Å; H158-I308 HydrophobicContact CB-CG1 4.48Å; L162-I308 HydrophobicContact CD1-CD1 4.45Å; K304-I308 WeakPolarHBondContact O-CB 3.42Å; K304-I308 WeakPolarHBondContact O-CD1 3.32Å; K304-I308 WeakPolarHBondContact O-CG1 3.4Å; K304-I308 PolarHBondContact O-N 3.47Å; F305-I308 PolarHBondContact O-N 2.83Å; I306-I308 PolarHBondContact O-N 3.15Å; I308-C310 PolarHBondContact O-N 3.28Å; I308-Y311 HydrophobicContact CB-CE1 4.28Å; I308-Y311 HydrophobicContact CG1-CE1 4.13Å; I308-T312 HydrophobicContact CG2-CG2 4.05Å; I308-T312 WeakPolarHBondContact O-CB 3.4Å; I308-T312 VanDerWaalsContact O-CG2 3.29Å; I308-T312 WeakPolarHBondContact O-CG2 2.98Å; I308-T312 PolarHBondContact O-N 2.96Å; I308-T312 PolarHBondContact O-OG1 2.84Å; I308-Y355 HydrophobicContact CG2-CE1 4.09Å; I308-I359 HydrophobicContact CD1-CD1 4.35Å; I308-I359 HydrophobicContact CG2-CD1 3.94Å; I308-I359 HydrophobicContact CG2-CG1 4.1Å; I308-I359 HydrophobicContact CG2-CG2 4.11Å
309	L	92.4	Very high	89.7	Confident	41 Å²	41	50.9 Å²	50.9	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-44.7	-179.9	-173.2	62.7	0	0	0	111.9	F305 I306 T312 M313 I356	F305-L309 HydrophobicContact CE2-CB 4.24Å; F305-L309 HydrophobicContact CE2-CD2 3.9Å; F305-L309 HydrophobicContact CZ-CD2 3.76Å; F305-L309 WeakPolarHBondContact O-CB 3.34Å; F305-L309 PolarHBondContact O-N 3.04Å; I306-L309 PolarHBondContact O-N 3.16Å; L309-T312 PolarHBondContact O-OG1 2.86Å; L309-M313 HydrophobicContact CD1-CE 3.81Å; L309-M313 HydrophobicContact CD1-CG 4.1Å; L309-M313 HydrophobicContact CG-CG 4.48Å; L309-M313 WeakPolarHBondContact O-CB 3.43Å; L309-M313 VanDerWaalsContact O-CG 3.24Å; L309-M313 WeakPolarHBondContact O-CG 3.42Å; L309-M313 PolarHBondContact O-N 2.63Å; L309-M313 VanDerWaalsContact O-N 3.12Å; L309-I356 HydrophobicContact CD1-CG2 4.05Å
310	C	91.6	Very high	89.2	Confident	81 Å²	81	52.1 Å²	52.1	55%	0.547	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-48.9	-179.8	-72.3	0	0	0	0	113.2	I306 L307 I308	I306-C310 WeakPolarHBondContact O-CB 3.4Å; I306-C310 PolarHBondContact O-N 3.39Å; I306-C310 PolarHBondContact O-SG 3.36Å; L307-C310 PolarHBondContact O-N 2.85Å; I308-C310 PolarHBondContact O-N 3.28Å
311	Y	90.2	Very high	89.1	Confident	58 Å²	58	51 Å²	51	23%	0.227	28%	0.283	C	S	.	.	H	α-helix	trans	-79	-33.4	-179.1	79.4	-111.3	0	0	0	112.5	H158 L307 I308 M313 T314 F315	H158-Y311 PolarHBondContact CD2-OH 2.96Å; H158-Y311 AromaticContact NE2-CZ 3.88Å; H158-Y311 PolarHBondContact NE2-OH 2.98Å; H158-Y311 VanDerWaalsContact NE2-OH 3.07Å; L307-Y311 WeakPolarHBondContact O-CD1 3.4Å; L307-Y311 PolarHBondContact O-N 2.83Å; I308-Y311 HydrophobicContact CB-CE1 4.28Å; I308-Y311 HydrophobicContact CG1-CE1 4.13Å; Y311-M313 VanDerWaalsContact C-N 3.33Å; Y311-M313 PolarHBondContact O-N 3.42Å; Y311-T314 PolarHBondContact O-N 3.15Å; Y311-T314 PolarHBondContact O-OG1 3.03Å; Y311-F315 AromaticContact CD2-CD2 3.79Å; Y311-F315 HydrophobicContact CD2-CD2 3.79Å; Y311-F315 AromaticContact CD2-CE2 3.33Å; Y311-F315 HydrophobicContact CD2-CE2 3.33Å; Y311-F315 AromaticContact CD2-CZ 3.95Å; Y311-F315 HydrophobicContact CD2-CZ 3.95Å; Y311-F315 HydrophobicContact CE2-CD2 4.37Å; Y311-F315 HydrophobicContact CE2-CE2 4.02Å; Y311-F315 HydrophobicContact CG-CE2 4.21Å; Y311-F315 HydrophobicContact CG-CZ 4.41Å; Y311-F315 WeakPolarHBondContact O-CD1 3.48Å; Y311-F315 VanDerWaalsContact O-CG 3.29Å; Y311-F315 WeakPolarHBondContact O-CG 3.33Å; Y311-F315 PolarHBondContact O-N 3.02Å
312	T	89.9	Confident	88.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-36.6	-179.5	51	0	0	0	0	111.8	I308 L309 T314 F315 V316 L352	I308-T312 HydrophobicContact CG2-CG2 4.05Å; I308-T312 WeakPolarHBondContact O-CB 3.4Å; I308-T312 VanDerWaalsContact O-CG2 3.29Å; I308-T312 WeakPolarHBondContact O-CG2 2.98Å; I308-T312 PolarHBondContact O-N 2.96Å; I308-T312 PolarHBondContact O-OG1 2.84Å; L309-T312 PolarHBondContact O-OG1 2.86Å; T312-T314 PolarHBondContact O-N 2.9Å; T312-F315 PolarHBondContact O-N 3.03Å; T312-V316 WeakPolarHBondContact O-CG2 2.76Å; T312-V316 PolarHBondContact O-N 2.86Å; T312-L352 HydrophobicContact CG2-CD1 4.05Å
313	M	87.8	Confident	88.9	Confident	98 Å²	98	55.7 Å²	55.7	48%	0.483	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-38.6	175.9	-75.2	-66.4	-166.2	0	0	113.3	L309 Y311 I356	L309-M313 HydrophobicContact CD1-CE 3.81Å; L309-M313 HydrophobicContact CD1-CG 4.1Å; L309-M313 HydrophobicContact CG-CG 4.48Å; L309-M313 WeakPolarHBondContact O-CB 3.43Å; L309-M313 VanDerWaalsContact O-CG 3.24Å; L309-M313 WeakPolarHBondContact O-CG 3.42Å; L309-M313 PolarHBondContact O-N 2.63Å; L309-M313 VanDerWaalsContact O-N 3.12Å; Y311-M313 VanDerWaalsContact C-N 3.33Å; Y311-M313 PolarHBondContact O-N 3.42Å; M313-I356 HydrophobicContact CE-CG2 3.59Å; M313-I356 HydrophobicContact SD-CD1 4.35Å; M313-I356 HydrophobicContact SD-CG2 4.18Å
314	T	87.6	Confident	88.7	Confident	85 Å²	85	56.1 Å²	56.1	52%	0.521	31%	0.309	S	S	.	.	H	α-helix	trans	-68.7	-37.6	175.9	59.4	0	0	0	0	111.5	Y311 T312 A317	Y311-T314 PolarHBondContact O-N 3.15Å; Y311-T314 PolarHBondContact O-OG1 3.03Å; T312-T314 PolarHBondContact O-N 2.9Å; T314-A317 PolarHBondContact O-N 2.89Å
315	F	85.8	Confident	88.7	Confident	33 Å²	33	52.2 Å²	52.2	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-71.6	-28.8	179.5	-57	-13.1	0	0	0	113.4	W146 Y147 Y311 T312 A317 S318 I319 L352	W146-F315 HydrophobicContact CH2-CE1 4.47Å; W146-F315 AromaticContact CH2-CE2 3.52Å; W146-F315 HydrophobicContact CH2-CE2 3.52Å; W146-F315 AromaticContact CH2-CZ 3.36Å; W146-F315 HydrophobicContact CH2-CZ 3.36Å; W146-F315 HydrophobicContact CZ2-CE1 4.11Å; W146-F315 AromaticContact CZ2-CE2 3.96Å; W146-F315 HydrophobicContact CZ2-CE2 3.96Å; W146-F315 AromaticContact CZ2-CZ 3.38Å; W146-F315 HydrophobicContact CZ2-CZ 3.38Å; W146-F315 HydrophobicContact CZ3-CE2 4.14Å; W146-F315 HydrophobicContact CZ3-CZ 4.36Å; Y147-F315 VanDerWaalsContact CB-CD2 3.47Å; Y147-F315 AromaticContact CD1-CD1 3.78Å; Y147-F315 HydrophobicContact CD1-CD1 3.78Å; Y147-F315 HydrophobicContact CD1-CD2 4.34Å; Y147-F315 HydrophobicContact CD1-CE1 4.1Å; Y147-F315 AromaticContact CD1-CG 3.95Å; Y147-F315 HydrophobicContact CD1-CG 3.95Å; Y147-F315 HydrophobicContact CD2-CB 4.14Å; Y147-F315 HydrophobicContact CD2-CG 4.39Å; Y147-F315 HydrophobicContact CE1-CD1 4.25Å; Y147-F315 HydrophobicContact CG-CB 4.06Å; Y147-F315 HydrophobicContact CG-CD1 4.14Å; Y147-F315 HydrophobicContact CG-CD2 4.01Å; Y147-F315 AromaticContact CG-CG 3.8Å; Y147-F315 HydrophobicContact CG-CG 3.8Å; Y311-F315 AromaticContact CD2-CD2 3.79Å; Y311-F315 HydrophobicContact CD2-CD2 3.79Å; Y311-F315 AromaticContact CD2-CE2 3.33Å; Y311-F315 HydrophobicContact CD2-CE2 3.33Å; Y311-F315 AromaticContact CD2-CZ 3.95Å; Y311-F315 HydrophobicContact CD2-CZ 3.95Å; Y311-F315 HydrophobicContact CE2-CD2 4.37Å; Y311-F315 HydrophobicContact CE2-CE2 4.02Å; Y311-F315 HydrophobicContact CG-CE2 4.21Å; Y311-F315 HydrophobicContact CG-CZ 4.41Å; Y311-F315 WeakPolarHBondContact O-CD1 3.48Å; Y311-F315 VanDerWaalsContact O-CG 3.29Å; Y311-F315 WeakPolarHBondContact O-CG 3.33Å; Y311-F315 PolarHBondContact O-N 3.02Å; T312-F315 PolarHBondContact O-N 3.03Å; F315-A317 VanDerWaalsContact C-N 3.27Å; F315-A317 PolarHBondContact O-N 3.01Å; F315-S318 PolarHBondContact O-N 3.31Å; F315-I319 WeakPolarHBondContact O-CD1 3.33Å; F315-I319 VanDerWaalsContact O-CG1 3.3Å; F315-I319 WeakPolarHBondContact O-CG1 3.28Å; F315-I319 PolarHBondContact O-N 2.85Å; F315-L352 HydrophobicContact CB-CD2 4.41Å
316	V	85.1	Confident	88.5	Confident	28 Å²	28	56.6 Å²	56.6	17%	0.17	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-41	172.5	173	0	0	0	0	111.1	T312 S318 K349 L352 V353 I356	T312-V316 WeakPolarHBondContact O-CG2 2.76Å; T312-V316 PolarHBondContact O-N 2.86Å; V316-S318 VanDerWaalsContact C-N 3.32Å; V316-S318 PolarHBondContact O-N 3.46Å; V316-K349 WeakPolarHBondContact O-CE 3.44Å; V316-K349 PolarHBondContact O-NZ 2.81Å; V316-L352 HydrophobicContact CB-CD2 4.34Å; V316-L352 HydrophobicContact CG2-CD2 3.49Å; V316-L352 VanDerWaalsContact CG2-CD2 3.49Å; V316-L352 HydrophobicContact CG2-CG 3.63Å; V316-V353 HydrophobicContact CG1-CG2 4Å; V316-V353 HydrophobicContact CG2-CG2 4.3Å; V316-I356 HydrophobicContact CG2-CD1 3.28Å
317	A	82.1	Confident	88.2	Confident	76 Å²	76	53.1 Å²	53.1	63%	0.628	30%	0.295	S	S	*	.	H	α-helix	trans	-63.3	-40.1	-177.6	0	0	0	0	0	111.7	T314 F315	T314-A317 PolarHBondContact O-N 2.89Å; F315-A317 VanDerWaalsContact C-N 3.27Å; F315-A317 PolarHBondContact O-N 3.01Å
318	S	82.8	Confident	87.9	Confident	44 Å²	44	58 Å²	58	31%	0.308	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	14.3	-170.2	65.5	0	0	0	0	115.9	Y147 F315 V316	Y147-S318 WeakPolarHBondContact OH-CB 3.4Å; Y147-S318 PolarHBondContact OH-O 2.9Å; Y147-S318 PolarHBondContact OH-OG 2.93Å; F315-S318 PolarHBondContact O-N 3.31Å; V316-S318 VanDerWaalsContact C-N 3.32Å; V316-S318 PolarHBondContact O-N 3.46Å
319	I	85.3	Confident	87.5	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.036	32%	0.319	C	S	.	.			trans	-86.6	107.4	168.1	-69.6	155.4	0	0	0	109	Y147 F315 A345 L348 K349 L352	Y147-I319 HydrophobicContact CD2-CG1 3.97Å; Y147-I319 HydrophobicContact CE2-CG1 3.81Å; F315-I319 WeakPolarHBondContact O-CD1 3.33Å; F315-I319 VanDerWaalsContact O-CG1 3.3Å; F315-I319 WeakPolarHBondContact O-CG1 3.28Å; F315-I319 PolarHBondContact O-N 2.85Å; I319-A345 HydrophobicContact CG2-CB 4.12Å; I319-L348 HydrophobicContact CD1-CD2 3.59Å; I319-L348 HydrophobicContact CG1-CD2 4.45Å; I319-K349 HydrophobicContact CB-CD 4.26Å; I319-K349 HydrophobicContact CG2-CB 4.09Å; I319-K349 HydrophobicContact CG2-CD 4.29Å; I319-K349 WeakPolarHBondContact O-CD 3.26Å; I319-K349 PolarHBondContact O-NZ 2.87Å; I319-L352 HydrophobicContact CD1-CD2 3.5Å
320	D	84	Confident	87	Confident	88 Å²	88	61.9 Å²	61.9	47%	0.471	33%	0.331	S	S	.	.			trans	-113.7	165.2	177.1	-64.4	-52	0	0	0	111.6	A345	D320-A345 WeakPolarHBondContact O-CB 3.22Å
321	F	87.9	Confident	86.6	Confident	59 Å²	59	67.2 Å²	67.2	26%	0.259	35%	0.348	S	S	.	.	S	Bend	trans	-87.8	-29.5	179.7	177.2	-106.8	0	0	0	112.8	T341 H342 F346	F321-T341 HydrophobicContact CD1-CG2 4.3Å; F321-T341 HydrophobicContact CE1-CG2 3.63Å; F321-T341 HydrophobicContact CZ-CG2 4Å; F321-T341 CarbonylContact O-C 3.56Å; F321-T341 WeakPolarHBondContact O-CA 3.49Å; F321-H342 VanDerWaalsContact CD2-O 3.27Å; F321-H342 WeakPolarHBondContact CD2-O 3.42Å; F321-H342 PolarHBondContact O-N 3.12Å; F321-F346 HydrophobicContact CB-CE2 3.79Å; F321-F346 HydrophobicContact CB-CZ 3.85Å; F321-F346 HydrophobicContact CD1-CE2 4.31Å; F321-F346 AromaticContact CD2-CD2 3.85Å; F321-F346 HydrophobicContact CD2-CD2 3.85Å; F321-F346 AromaticContact CD2-CE2 3.4Å; F321-F346 HydrophobicContact CD2-CE2 3.4Å; F321-F346 VanDerWaalsContact CD2-CE2 3.4Å; F321-F346 HydrophobicContact CD2-CZ 4.32Å; F321-F346 HydrophobicContact CE2-CD2 4.4Å; F321-F346 HydrophobicContact CE2-CE2 4.02Å; F321-F346 HydrophobicContact CG-CD2 4.4Å; F321-F346 AromaticContact CG-CE2 3.57Å; F321-F346 HydrophobicContact CG-CE2 3.57Å; F321-F346 HydrophobicContact CG-CZ 4.06Å
322	D	88.1	Confident	86.2	Confident	82 Å²	82	69.8 Å²	69.8	44%	0.439	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.7	-173.9	-65.7	-76.2	0	0	0	111	H339	D322-H339 IonicContact OD1-CD2 2.69Å; D322-H339 IonicContact OD1-CE1 3.89Å; D322-H339 PolarHBondContact OD1-CE1 3.34Å; D322-H339 IonicContact OD1-NE2 3.69Å; D322-H339 PolarHBondContact OD1-NE2 2.83Å
323	H	89.9	Confident	85.9	Confident	31 Å²	31	70.4 Å²	70.4	14%	0.144	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.6	178.2	-62.8	-42.9	0	0	0	110.6	A143 L144 C340	A143-H323 HydrophobicContact CB-CB 4.46Å; L144-H323 WeakPolarHBondContact CD2-NE2 3.5Å; H323-C340 PolarHBondContact N-O 2.64Å; H323-C340 WeakPolarHBondContact O-CB 3.47Å; H323-C340 PolarHBondContact O-N 3.48Å
324	V	89.9	Confident	85.6	Confident	85 Å²	85	68.2 Å²	68.2	52%	0.515	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.6	168.5	-177.3	0	0	0	0	108.6	I57 E326	I57-V324 HydrophobicContact CD1-CG1 4.37Å; V324-E326 HydrophobicContact CG1-CG 4.3Å
325	C	90.3	Very high	85.5	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.007	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.9	-179.1	178.7	0	0	0	0	109.7	C139 A143 P327 F338	C139-C325 WeakPolarHBondContact CA-SG 3.16Å; C139-C325 HydrophobicContact CB-CB 3.74Å; C139-C325 WeakPolarHBondContact CB-SG 3.31Å; C139-C325 WeakPolarHBondContact SG-CB 3.48Å; C139-C325 CovalentContact SG-SG 2.04Å; C139-C325 PolarHBondContact SG-SG 3.01Å; A143-C325 HydrophobicContact CB-CB 3.74Å; C325-P327 VanDerWaalsContact C-CD 3.48Å; C325-P327 WeakPolarHBondContact O-CD 3.19Å; C325-F338 HydrophobicContact CB-CB 4.33Å; C325-F338 PolarHBondContact N-O 3.17Å; C325-F338 PolarHBondContact O-N 3.07Å
326	E	89.3	Confident	85.4	Confident	109 Å²	109	66.1 Å²	66.1	51%	0.509	36%	0.358	S	S	.	.			trans	-123.3	75.5	177.8	-54.2	-161.9	-169.4	0	0	110.4	V324 K337	V324-E326 HydrophobicContact CG1-CG 4.3Å; E326-K337 HydrophobicContact CG-CB 4.4Å; E326-K337 HydrophobicContact CG-CD 4.49Å; E326-K337 HydrophobicContact CG-CG 3.98Å; E326-K337 WeakPolarHBondContact OE1-CD 3.46Å; E326-K337 IonicContact OE1-NZ 3.29Å; E326-K337 PolarHBondContact OE1-NZ 2.82Å; E326-K337 IonicContact OE2-NZ 2.66Å; E326-K337 PolarHBondContact OE2-NZ 3.29Å
327	P	86.6	Confident	85.6	Confident	10 Å²	10	68 Å²	68	7%	0.065	36%	0.364	C	S	.	.			trans	-87.7	147.2	-176.9	31.9	-27.1	0	0	0	112.3	M138 C325 I329 F338	M138-P327 HydrophobicContact CG-CB 3.97Å; C325-P327 VanDerWaalsContact C-CD 3.48Å; C325-P327 WeakPolarHBondContact O-CD 3.19Å; P327-I329 HydrophobicContact CB-CD1 4.11Å; P327-I329 HydrophobicContact CB-CG1 4.11Å; P327-I329 HydrophobicContact CB-CG2 4.44Å; P327-I329 HydrophobicContact CG-CD1 3.67Å; P327-I329 HydrophobicContact CG-CG1 3.81Å; P327-I329 PolarHBondContact O-N 2.85Å; P327-F338 HydrophobicContact CG-CD2 3.92Å; P327-F338 HydrophobicContact CG-CE2 4.02Å
328	E	85.6	Confident	86	Confident	201 Å²	201	64.4 Å²	64.4	94%	0.939	33%	0.334	S	S	*	.	S	Bend	trans	-72.7	38.4	-178.6	-59.5	-173	161.4	0	0	114.5
329	I	85	Confident	86.4	Confident	16 Å²	16	65.8 Å²	65.8	8%	0.082	34%	0.335	C	S	.	.			trans	-109.1	14.6	-173.4	66.8	-176.1	0	0	0	113.5	F134 V135 M138 P327 H331 L332 T333 F338	F134-I329 HydrophobicContact CE1-CB 4.43Å; F134-I329 HydrophobicContact CE1-CD1 4.18Å; F134-I329 HydrophobicContact CE1-CG2 4.08Å; F134-I329 HydrophobicContact CZ-CG2 4.48Å; V135-I329 HydrophobicContact CG2-CD1 3.93Å; M138-I329 HydrophobicContact CE-CG2 4.09Å; M138-I329 HydrophobicContact CG-CG2 4.42Å; P327-I329 HydrophobicContact CB-CD1 4.11Å; P327-I329 HydrophobicContact CB-CG1 4.11Å; P327-I329 HydrophobicContact CB-CG2 4.44Å; P327-I329 HydrophobicContact CG-CD1 3.67Å; P327-I329 HydrophobicContact CG-CG1 3.81Å; P327-I329 PolarHBondContact O-N 2.85Å; I329-H331 PolarHBondContact O-N 2.95Å; I329-L332 PolarHBondContact O-N 3.19Å; I329-T333 HydrophobicContact CD1-CG2 4.1Å; I329-T333 HydrophobicContact CG1-CG2 4.24Å; I329-T333 PolarHBondContact O-N 2.99Å; I329-T333 PolarHBondContact O-OG1 3.09Å; I329-F338 HydrophobicContact CD1-CE2 4.34Å; I329-F338 HydrophobicContact CG1-CE2 4.47Å
330	K	82.5	Confident	86.7	Confident	107 Å²	107	65.5 Å²	65.5	47%	0.465	33%	0.334	S	S	.	.	H	α-helix	trans	-53.9	-30.2	-178	-170.4	164.9	-174.2	155.2	0	113.2	L332 G334 S336	K330-L332 VanDerWaalsContact C-N 3.35Å; K330-L332 PolarHBondContact O-N 2.75Å; K330-G334 VanDerWaalsContact O-CA 3.23Å; K330-G334 WeakPolarHBondContact O-CA 3.18Å; K330-G334 PolarHBondContact O-N 3.13Å; K330-S336 PolarHBondContact NZ-OG 3.09Å
331	H	83.4	Confident	87	Confident	194 Å²	194	62.9 Å²	62.9	90%	0.898	32%	0.321	S	S	*	.	H	α-helix	trans	-71	-21.1	174.4	-66.5	-77.5	0	0	0	114.9	I329	I329-H331 PolarHBondContact O-N 2.95Å
332	L	82.3	Confident	87.1	Confident	111 Å²	111	60.1 Å²	60.1	58%	0.581	31%	0.309	S	S	*	.	H	α-helix	trans	-98.6	-26.6	179.5	-100.2	66.7	0	0	0	113.5	Q131 F134 I329 K330	Q131-L332 PolarHBondContact NE2-O 2.88Å; F134-L332 HydrophobicContact CE1-CD2 4.04Å; F134-L332 HydrophobicContact CZ-CD2 4.19Å; I329-L332 PolarHBondContact O-N 3.19Å; K330-L332 VanDerWaalsContact C-N 3.35Å; K330-L332 PolarHBondContact O-N 2.75Å
333	T	83.1	Confident	87	Confident	13 Å²	13	59.7 Å²	59.7	8%	0.08	31%	0.307	C	S	.	.	H	α-helix	trans	-124.2	-14.7	-171.1	62.2	0	0	0	0	114	L127 V135 I329 Y335	L127-T333 WeakPolarHBondContact CD2-O 3.27Å; V135-T333 HydrophobicContact CG2-CG2 3.83Å; I329-T333 HydrophobicContact CD1-CG2 4.1Å; I329-T333 HydrophobicContact CG1-CG2 4.24Å; I329-T333 PolarHBondContact O-N 2.99Å; I329-T333 PolarHBondContact O-OG1 3.09Å; T333-Y335 WeakPolarHBondContact O-CD2 3.26Å; T333-Y335 PolarHBondContact O-N 3.01Å; T333-Y335 PolarHBondContact OG1-N 3.28Å
334	G	81.4	Confident	86.8	Confident	53 Å²	53	59.4 Å²	59.4	55%	0.546	31%	0.306	S	S	.	.	S	Bend	trans	78.9	-12.6	-175.1	0	0	0	0	0	115.4	K330	K330-G334 VanDerWaalsContact O-CA 3.23Å; K330-G334 WeakPolarHBondContact O-CA 3.18Å; K330-G334 PolarHBondContact O-N 3.13Å
335	Y	84.9	Confident	86.6	Confident	45 Å²	45	55.5 Å²	55.5	18%	0.176	28%	0.283	C	S	.	.			trans	-111.3	142.2	-174.7	-69.4	-82.8	0	0	0	112.5	P56 L58 T125 L127 T333	P56-Y335 HydrophobicContact CB-CD1 3.55Å; P56-Y335 HydrophobicContact CB-CD2 3.63Å; P56-Y335 HydrophobicContact CB-CE1 3.87Å; P56-Y335 HydrophobicContact CB-CE2 3.94Å; P56-Y335 HydrophobicContact CB-CG 3.42Å; P56-Y335 VanDerWaalsContact CB-CG 3.42Å; P56-Y335 HydrophobicContact CG-CD2 4.13Å; P56-Y335 HydrophobicContact CG-CE1 4.4Å; P56-Y335 HydrophobicContact CG-CE2 4.02Å; P56-Y335 HydrophobicContact CG-CG 4.38Å; L58-Y335 HydrophobicContact CD2-CE1 4.11Å; T125-Y335 PolarHBondContact O-OH 3.45Å; L127-Y335 HydrophobicContact CD1-CD2 4.12Å; L127-Y335 HydrophobicContact CD1-CE2 4.16Å; L127-Y335 HydrophobicContact CG-CD2 4.48Å; L127-Y335 HydrophobicContact CG-CE2 4.29Å; T333-Y335 WeakPolarHBondContact O-CD2 3.26Å; T333-Y335 PolarHBondContact O-N 3.01Å; T333-Y335 PolarHBondContact OG1-N 3.28Å
336	S	83.8	Confident	86.5	Confident	28 Å²	28	62 Å²	62	20%	0.196	31%	0.311	C	S	.	.	S	Bend	trans	-88.5	-41	178.3	4.7	0	0	0	0	113.2	E59 K330	E59-S336 VanDerWaalsContact CD-OG 3.28Å; E59-S336 WeakPolarHBondContact OE1-CB 3.38Å; E59-S336 PolarHBondContact OE1-OG 3.24Å; E59-S336 PolarHBondContact OE2-OG 2.92Å; K330-S336 PolarHBondContact NZ-OG 3.09Å
337	K	89.4	Confident	86.5	Confident	69 Å²	69	60.8 Å²	60.8	30%	0.3	31%	0.306	S	S	.	.			trans	-124.4	139.3	-170.3	-51.4	-173.9	-176.2	-107.9	0	111.1	I57 E326	I57-K337 HydrophobicContact CB-CB 4.3Å; I57-K337 HydrophobicContact CD1-CB 4.16Å; I57-K337 PolarHBondContact N-O 3.45Å; E326-K337 HydrophobicContact CG-CB 4.4Å; E326-K337 HydrophobicContact CG-CD 4.49Å; E326-K337 HydrophobicContact CG-CG 3.98Å; E326-K337 WeakPolarHBondContact OE1-CD 3.46Å; E326-K337 IonicContact OE1-NZ 3.29Å; E326-K337 PolarHBondContact OE1-NZ 2.82Å; E326-K337 IonicContact OE2-NZ 2.66Å; E326-K337 PolarHBondContact OE2-NZ 3.29Å
338	F	90.4	Very high	86.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.6	179.4	-61.6	-95.3	0	0	0	110.2	C54 L55 P56 V135 C325 P327 I329	C54-F338 HydrophobicContact CB-CB 4.35Å; L55-F338 CarbonylContact O-C 3.57Å; L55-F338 VanDerWaalsContact O-CA 3.3Å; L55-F338 WeakPolarHBondContact O-CA 3.43Å; P56-F338 VanDerWaalsContact CA-CD1 3.5Å; P56-F338 HydrophobicContact CB-CD1 3.92Å; P56-F338 HydrophobicContact CB-CE1 3.79Å; V135-F338 HydrophobicContact CB-CE1 4.42Å; V135-F338 HydrophobicContact CG1-CB 4.43Å; V135-F338 HydrophobicContact CG1-CD1 3.49Å; V135-F338 VanDerWaalsContact CG1-CD1 3.49Å; V135-F338 HydrophobicContact CG1-CD2 4.26Å; V135-F338 HydrophobicContact CG1-CE1 3.68Å; V135-F338 HydrophobicContact CG1-CE2 4.43Å; V135-F338 HydrophobicContact CG1-CG 3.81Å; V135-F338 HydrophobicContact CG1-CZ 4.15Å; V135-F338 HydrophobicContact CG2-CE1 3.86Å; V135-F338 HydrophobicContact CG2-CZ 3.94Å; C325-F338 HydrophobicContact CB-CB 4.33Å; C325-F338 PolarHBondContact N-O 3.17Å; C325-F338 PolarHBondContact O-N 3.07Å; P327-F338 HydrophobicContact CG-CD2 3.92Å; P327-F338 HydrophobicContact CG-CE2 4.02Å; I329-F338 HydrophobicContact CD1-CE2 4.34Å; I329-F338 HydrophobicContact CG1-CE2 4.47Å
339	H	90.8	Very high	86.7	Confident	72 Å²	72	54.2 Å²	54.2	33%	0.333	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.3	169.2	-171.4	93	0	0	0	108.9	C54 L55 I57 D322	C54-H339 CarbonylContact C-O 3.34Å; C54-H339 VanDerWaalsContact CA-O 3.32Å; C54-H339 WeakPolarHBondContact CA-O 3.47Å; L55-H339 PolarHBondContact N-O 3.07Å; L55-H339 PolarHBondContact O-N 3.21Å; I57-H339 HydrophobicContact CD1-CB 4.24Å; I57-H339 HydrophobicContact CG1-CB 4.12Å; D322-H339 IonicContact OD1-CD2 2.69Å; D322-H339 IonicContact OD1-CE1 3.89Å; D322-H339 PolarHBondContact OD1-CE1 3.34Å; D322-H339 IonicContact OD1-NE2 3.69Å; D322-H339 PolarHBondContact OD1-NE2 2.83Å
340	C	91.6	Very high	87	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.5	-173.4	-62.2	0	0	0	0	111.3	V52 V53 C54 C139 H323	V52-C340 HydrophobicContact CG1-CB 3.81Å; V53-C340 CarbonylContact O-C 3.42Å; V53-C340 WeakPolarHBondContact O-CA 3.44Å; C54-C340 HydrophobicContact CB-CB 4.14Å; C54-C340 WeakPolarHBondContact CB-SG 3.35Å; C54-C340 WeakPolarHBondContact SG-CB 3.22Å; C54-C340 CovalentContact SG-SG 2.04Å; C54-C340 PolarHBondContact SG-SG 2.66Å; C139-C340 VanDerWaalsContact CB-SG 3.55Å; H323-C340 PolarHBondContact N-O 2.64Å; H323-C340 WeakPolarHBondContact O-CB 3.47Å; H323-C340 PolarHBondContact O-N 3.48Å
341	T	90.9	Very high	87.5	Confident	33 Å²	33	57 Å²	57	20%	0.202	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.1	174.6	58.3	0	0	0	0	111.7	V52 V53 F321	V52-T341 WeakPolarHBondContact CA-O 3.16Å; V53-T341 PolarHBondContact N-O 2.86Å; V53-T341 PolarHBondContact O-N 2.99Å; F321-T341 HydrophobicContact CD1-CG2 4.3Å; F321-T341 HydrophobicContact CE1-CG2 3.63Å; F321-T341 HydrophobicContact CZ-CG2 4Å; F321-T341 CarbonylContact O-C 3.56Å; F321-T341 WeakPolarHBondContact O-CA 3.49Å
342	H	90.1	Very high	87.8	Confident	1 Å²	1	48 Å²	48	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	100	177.4	-173.4	-133.7	0	0	0	112	D50 L144 S148 F321 M344 A345	D50-H342 IonicContact OD1-CD2 2.68Å; D50-H342 PolarHBondContact OD1-CD2 2.89Å; D50-H342 IonicContact OD1-CE1 3.47Å; D50-H342 IonicContact OD1-NE2 2.75Å; D50-H342 PolarHBondContact OD1-NE2 3Å; D50-H342 IonicContact OD2-NE2 3.9Å; L144-H342 HydrophobicContact CD2-CB 4.18Å; S148-H342 PolarHBondContact OG-CE1 3.21Å; S148-H342 PolarHBondContact OG-ND1 3.26Å; F321-H342 VanDerWaalsContact CD2-O 3.27Å; F321-H342 WeakPolarHBondContact CD2-O 3.42Å; F321-H342 PolarHBondContact O-N 3.12Å; H342-M344 PolarHBondContact O-N 3.23Å; H342-A345 HydrophobicContact CB-CB 4.23Å; H342-A345 PolarHBondContact ND1-N 2.62Å; H342-A345 WeakPolarHBondContact O-CB 3.1Å; H342-A345 PolarHBondContact O-N 3.29Å
343	N	85.2	Confident	88.3	Confident	72 Å²	72	46.2 Å²	46.2	39%	0.385	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.9	-173.8	-74.2	-29.4	0	0	0	114.5	Q51	Q51-N343 PolarHBondContact O-N 2.97Å
344	M	86.9	Confident	88.8	Confident	26 Å²	26	48.6 Å²	48.6	13%	0.128	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.4	179	-71.3	-63.6	100.6	0	0	114.5	M45 K49 D50 H342 F346 M347 L348	M45-M344 HydrophobicContact CE-SD 4Å; K49-M344 HydrophobicContact CB-CE 3.7Å; K49-M344 HydrophobicContact CB-SD 3.78Å; K49-M344 HydrophobicContact CD-CE 4.37Å; D50-M344 HydrophobicContact CB-CG 4.46Å; H342-M344 PolarHBondContact O-N 3.23Å; M344-F346 PolarHBondContact O-N 3.27Å; M344-M347 PolarHBondContact O-N 3.27Å; M344-L348 WeakPolarHBondContact O-CB 3.33Å; M344-L348 PolarHBondContact O-N 2.95Å
345	A	85.8	Confident	89.5	Confident	3 Å²	3	46 Å²	46	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-52	-49	-172.6	0	0	0	0	0	113.4	I319 D320 H342 M347 L348 K349	I319-A345 HydrophobicContact CG2-CB 4.12Å; D320-A345 WeakPolarHBondContact O-CB 3.22Å; H342-A345 HydrophobicContact CB-CB 4.23Å; H342-A345 PolarHBondContact ND1-N 2.62Å; H342-A345 WeakPolarHBondContact O-CB 3.1Å; H342-A345 PolarHBondContact O-N 3.29Å; A345-M347 PolarHBondContact O-N 2.87Å; A345-L348 PolarHBondContact O-N 3.26Å; A345-K349 VanDerWaalsContact O-CB 3.26Å; A345-K349 WeakPolarHBondContact O-CB 3.23Å; A345-K349 PolarHBondContact O-N 3.49Å
346	F	87.8	Confident	89.8	Confident	136 Å²	136	44.5 Å²	44.5	60%	0.596	22%	0.223	S	C	*	.	H	α-helix	trans	-63	-41.1	178.8	-66.6	-69.5	0	0	0	113.2	F321 M344 K350	F321-F346 HydrophobicContact CB-CE2 3.79Å; F321-F346 HydrophobicContact CB-CZ 3.85Å; F321-F346 HydrophobicContact CD1-CE2 4.31Å; F321-F346 AromaticContact CD2-CD2 3.85Å; F321-F346 HydrophobicContact CD2-CD2 3.85Å; F321-F346 AromaticContact CD2-CE2 3.4Å; F321-F346 HydrophobicContact CD2-CE2 3.4Å; F321-F346 VanDerWaalsContact CD2-CE2 3.4Å; F321-F346 HydrophobicContact CD2-CZ 4.32Å; F321-F346 HydrophobicContact CE2-CD2 4.4Å; F321-F346 HydrophobicContact CE2-CE2 4.02Å; F321-F346 HydrophobicContact CG-CD2 4.4Å; F321-F346 AromaticContact CG-CE2 3.57Å; F321-F346 HydrophobicContact CG-CE2 3.57Å; F321-F346 HydrophobicContact CG-CZ 4.06Å; M344-F346 PolarHBondContact O-N 3.27Å; F346-K350 WeakPolarHBondContact O-CG 3.09Å; F346-K350 PolarHBondContact O-N 3.29Å; F346-K350 VanDerWaalsContact O-N 3.15Å
347	M	88.9	Confident	90.4	Very high	85 Å²	85	45.8 Å²	45.8	42%	0.419	24%	0.236	S	C	.	.	H	α-helix	trans	-70.1	-42.7	178.5	-73.2	-58.1	-59.5	0	0	111.4	M45 M344 A345 K350 L351	M45-M347 HydrophobicContact CE-CB 4.18Å; M45-M347 HydrophobicContact CE-CE 4Å; M45-M347 HydrophobicContact CE-CG 4.1Å; M45-M347 HydrophobicContact SD-CE 4.16Å; M344-M347 PolarHBondContact O-N 3.27Å; A345-M347 PolarHBondContact O-N 2.87Å; M347-K350 PolarHBondContact O-N 3.06Å; M347-L351 WeakPolarHBondContact O-CB 3.32Å; M347-L351 WeakPolarHBondContact O-CG 3.27Å; M347-L351 PolarHBondContact O-N 3.21Å
348	L	87.8	Confident	90.6	Very high	9 Å²	9	44 Å²	44	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-41.5	177.7	-164.4	152.2	0	0	0	110.8	S148 F151 I319 M344 A345 K350 L351 L352	S148-L348 WeakPolarHBondContact O-CD1 3.43Å; F151-L348 HydrophobicContact CB-CD2 4.46Å; F151-L348 HydrophobicContact CD1-CD2 4.04Å; F151-L348 HydrophobicContact CD1-CG 4.11Å; F151-L348 HydrophobicContact CG-CD2 4.5Å; I319-L348 HydrophobicContact CD1-CD2 3.59Å; I319-L348 HydrophobicContact CG1-CD2 4.45Å; M344-L348 WeakPolarHBondContact O-CB 3.33Å; M344-L348 PolarHBondContact O-N 2.95Å; A345-L348 PolarHBondContact O-N 3.26Å; L348-K350 VanDerWaalsContact C-N 3.34Å; L348-K350 PolarHBondContact O-N 3.1Å; L348-L351 PolarHBondContact O-N 3.3Å; L348-L352 VanDerWaalsContact O-CB 3.25Å; L348-L352 WeakPolarHBondContact O-CB 3.42Å; L348-L352 PolarHBondContact O-N 3.34Å
349	K	89.5	Confident	90.8	Very high	64 Å²	64	44 Å²	44	28%	0.278	23%	0.229	S	C	.	.	H	α-helix	trans	-60.8	-39.5	174.3	-161.6	163.1	-169.4	153.5	0	112	V316 I319 A345 V353	V316-K349 WeakPolarHBondContact O-CE 3.44Å; V316-K349 PolarHBondContact O-NZ 2.81Å; I319-K349 HydrophobicContact CB-CD 4.26Å; I319-K349 HydrophobicContact CG2-CB 4.09Å; I319-K349 HydrophobicContact CG2-CD 4.29Å; I319-K349 WeakPolarHBondContact O-CD 3.26Å; I319-K349 PolarHBondContact O-NZ 2.87Å; A345-K349 VanDerWaalsContact O-CB 3.26Å; A345-K349 WeakPolarHBondContact O-CB 3.23Å; A345-K349 PolarHBondContact O-N 3.49Å; K349-V353 VanDerWaalsContact O-CG2 3.31Å; K349-V353 WeakPolarHBondContact O-CG2 3.36Å; K349-V353 PolarHBondContact O-N 2.69Å; K349-V353 VanDerWaalsContact O-N 3.14Å
350	K	91.4	Very high	90.9	Very high	160 Å²	160	42.3 Å²	42.3	70%	0.696	23%	0.225	S	C	*	.	H	α-helix	trans	-69.5	-42.1	173.9	-68.4	-66.3	-176.3	-176.7	0	113	F346 M347 L348 V353 C354	F346-K350 WeakPolarHBondContact O-CG 3.09Å; F346-K350 PolarHBondContact O-N 3.29Å; F346-K350 VanDerWaalsContact O-N 3.15Å; M347-K350 PolarHBondContact O-N 3.06Å; L348-K350 VanDerWaalsContact C-N 3.34Å; L348-K350 PolarHBondContact O-N 3.1Å; K350-V353 PolarHBondContact O-N 3.23Å; K350-C354 WeakPolarHBondContact O-CB 3.21Å; K350-C354 PolarHBondContact O-N 3.32Å
351	L	91.6	Very high	91.1	Very high	22 Å²	22	45.2 Å²	45.2	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-39.4	177.6	-73.6	165.7	0	0	0	112.1	L38 F41 M45 M347 L348 C354 Y355	L38-L351 HydrophobicContact CG-CD2 4.42Å; F41-L351 HydrophobicContact CD1-CD2 3.98Å; F41-L351 HydrophobicContact CE1-CD1 4.42Å; F41-L351 HydrophobicContact CE1-CD2 4.08Å; M45-L351 HydrophobicContact SD-CD1 4.27Å; M347-L351 WeakPolarHBondContact O-CB 3.32Å; M347-L351 WeakPolarHBondContact O-CG 3.27Å; M347-L351 PolarHBondContact O-N 3.21Å; L348-L351 PolarHBondContact O-N 3.3Å; L351-C354 PolarHBondContact O-N 3.49Å; L351-Y355 WeakPolarHBondContact O-CB 3.47Å; L351-Y355 PolarHBondContact O-N 3.25Å
352	L	91.2	Very high	91.3	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-44.6	175	178	60.9	0	0	0	111.9	F151 T312 F315 V316 I319 L348 C354 Y355 I356	F151-L352 HydrophobicContact CD2-CD1 3.75Å; F151-L352 HydrophobicContact CE1-CB 4.23Å; F151-L352 HydrophobicContact CE2-CD1 3.4Å; F151-L352 VanDerWaalsContact CE2-CD1 3.4Å; F151-L352 HydrophobicContact CG-CD1 4.46Å; F151-L352 HydrophobicContact CZ-CB 4.17Å; F151-L352 HydrophobicContact CZ-CD1 3.84Å; T312-L352 HydrophobicContact CG2-CD1 4.05Å; F315-L352 HydrophobicContact CB-CD2 4.41Å; V316-L352 HydrophobicContact CB-CD2 4.34Å; V316-L352 HydrophobicContact CG2-CD2 3.49Å; V316-L352 VanDerWaalsContact CG2-CD2 3.49Å; V316-L352 HydrophobicContact CG2-CG 3.63Å; I319-L352 HydrophobicContact CD1-CD2 3.5Å; L348-L352 VanDerWaalsContact O-CB 3.25Å; L348-L352 WeakPolarHBondContact O-CB 3.42Å; L348-L352 PolarHBondContact O-N 3.34Å; L352-C354 VanDerWaalsContact C-N 3.3Å; L352-C354 PolarHBondContact O-N 3.17Å; L352-Y355 PolarHBondContact O-N 3.11Å; L352-I356 HydrophobicContact CD1-CD1 4.14Å; L352-I356 HydrophobicContact CD1-CG1 4.36Å; L352-I356 HydrophobicContact CG-CD1 4.04Å; L352-I356 WeakPolarHBondContact O-CB 3.28Å; L352-I356 VanDerWaalsContact O-CG1 3.29Å; L352-I356 WeakPolarHBondContact O-CG1 3.47Å; L352-I356 PolarHBondContact O-N 2.7Å
353	V	92.6	Very high	91.4	Very high	74 Å²	74	43.7 Å²	43.7	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-61.3	-38.8	173.7	168.2	0	0	0	0	111.7	V316 K349 K350 I356 A357	V316-V353 HydrophobicContact CG1-CG2 4Å; V316-V353 HydrophobicContact CG2-CG2 4.3Å; K349-V353 VanDerWaalsContact O-CG2 3.31Å; K349-V353 WeakPolarHBondContact O-CG2 3.36Å; K349-V353 PolarHBondContact O-N 2.69Å; K349-V353 VanDerWaalsContact O-N 3.14Å; K350-V353 PolarHBondContact O-N 3.23Å; V353-I356 PolarHBondContact O-N 2.81Å; V353-A357 PolarHBondContact O-N 3.08Å
354	C	93.9	Very high	91.9	Very high	63 Å²	63	45.9 Å²	45.9	43%	0.426	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-43.5	174.7	-174	0	0	0	0	112.1	L38 K350 L351 L352 I356 A357 L358	L38-C354 HydrophobicContact CD1-CB 3.95Å; K350-C354 WeakPolarHBondContact O-CB 3.21Å; K350-C354 PolarHBondContact O-N 3.32Å; L351-C354 PolarHBondContact O-N 3.49Å; L352-C354 VanDerWaalsContact C-N 3.3Å; L352-C354 PolarHBondContact O-N 3.17Å; C354-I356 PolarHBondContact O-N 2.9Å; C354-A357 PolarHBondContact O-N 3.07Å; C354-L358 WeakPolarHBondContact O-CG 3.48Å; C354-L358 PolarHBondContact O-N 3.05Å; C354-L358 VanDerWaalsContact O-N 3.11Å
355	Y	94.1	Very high	92.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-42.9	174.7	-176	-105.3	0	0	0	112.2	M35 L38 F151 A155 I308 L351 L352 A357 L358 I359	M35-Y355 HydrophobicContact CB-CE2 4.31Å; M35-Y355 HydrophobicContact CE-CE2 4.02Å; M35-Y355 HydrophobicContact CG-CE2 4.41Å; L38-Y355 HydrophobicContact CD2-CD2 4.23Å; F151-Y355 AromaticContact CE2-CD1 3.89Å; F151-Y355 HydrophobicContact CE2-CD1 3.89Å; F151-Y355 HydrophobicContact CE2-CE1 4.42Å; F151-Y355 HydrophobicContact CE2-CG 4.21Å; F151-Y355 HydrophobicContact CZ-CD1 4.25Å; F151-Y355 HydrophobicContact CZ-CG 4.12Å; A155-Y355 HydrophobicContact CB-CD2 4.27Å; A155-Y355 HydrophobicContact CB-CE1 4.22Å; A155-Y355 HydrophobicContact CB-CE2 3.83Å; A155-Y355 PolarHBondContact O-OH 3.15Å; I308-Y355 HydrophobicContact CG2-CE1 4.09Å; L351-Y355 WeakPolarHBondContact O-CB 3.47Å; L351-Y355 PolarHBondContact O-N 3.25Å; L352-Y355 PolarHBondContact O-N 3.11Å; Y355-A357 VanDerWaalsContact C-N 3.35Å; Y355-A357 PolarHBondContact O-N 3.23Å; Y355-L358 PolarHBondContact O-N 3.3Å; Y355-I359 HydrophobicContact CD1-CG1 4Å; Y355-I359 HydrophobicContact CE1-CD1 4.14Å; Y355-I359 HydrophobicContact CE1-CG1 3.68Å; Y355-I359 HydrophobicContact CE2-CG1 4.36Å; Y355-I359 HydrophobicContact CG-CG1 4.48Å; Y355-I359 WeakPolarHBondContact O-CB 3.15Å; Y355-I359 WeakPolarHBondContact O-CG1 3.18Å; Y355-I359 PolarHBondContact O-N 3.4Å
356	I	93.3	Very high	92.5	Very high	12 Å²	12	45 Å²	45	6%	0.062	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-42.7	175.1	-72.3	165.9	0	0	0	111.2	L309 M313 V316 L352 V353 C354 L358 I359 C360	L309-I356 HydrophobicContact CD1-CG2 4.05Å; M313-I356 HydrophobicContact CE-CG2 3.59Å; M313-I356 HydrophobicContact SD-CD1 4.35Å; M313-I356 HydrophobicContact SD-CG2 4.18Å; V316-I356 HydrophobicContact CG2-CD1 3.28Å; L352-I356 HydrophobicContact CD1-CD1 4.14Å; L352-I356 HydrophobicContact CD1-CG1 4.36Å; L352-I356 HydrophobicContact CG-CD1 4.04Å; L352-I356 WeakPolarHBondContact O-CB 3.28Å; L352-I356 VanDerWaalsContact O-CG1 3.29Å; L352-I356 WeakPolarHBondContact O-CG1 3.47Å; L352-I356 PolarHBondContact O-N 2.7Å; V353-I356 PolarHBondContact O-N 2.81Å; C354-I356 PolarHBondContact O-N 2.9Å; I356-L358 VanDerWaalsContact C-N 3.34Å; I356-L358 PolarHBondContact O-N 2.93Å; I356-I359 PolarHBondContact O-N 3.29Å; I356-C360 WeakPolarHBondContact O-CB 3.4Å; I356-C360 PolarHBondContact O-N 3.46Å; I356-C360 PolarHBondContact O-SG 3.29Å
357	A	94.4	Very high	92.8	Very high	55 Å²	55	42.9 Å²	42.9	46%	0.455	23%	0.233	S	C	.	.	H	α-helix	trans	-60.7	-42.6	176.6	0	0	0	0	0	112.1	V353 C354 Y355 C360 V361	V353-A357 PolarHBondContact O-N 3.08Å; C354-A357 PolarHBondContact O-N 3.07Å; Y355-A357 VanDerWaalsContact C-N 3.35Å; Y355-A357 PolarHBondContact O-N 3.23Å; A357-C360 PolarHBondContact O-N 2.89Å; A357-V361 WeakPolarHBondContact O-CG2 3.27Å; A357-V361 PolarHBondContact O-N 3.45Å; A357-V361 VanDerWaalsContact O-N 3.15Å
358	L	94.4	Very high	93	Very high	31 Å²	31	43.3 Å²	43.3	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-43.8	174.7	-62.2	171	0	0	0	111.8	L31 V34 M35 L38 C354 Y355 I356 C360 V361 Y362	L31-L358 HydrophobicContact CD1-CB 4.02Å; L31-L358 HydrophobicContact CD1-CD2 3.64Å; L31-L358 HydrophobicContact CD1-CG 4.38Å; V34-L358 HydrophobicContact CG1-CD1 3.94Å; V34-L358 HydrophobicContact CG1-CD2 4.03Å; M35-L358 HydrophobicContact CG-CB 3.81Å; M35-L358 HydrophobicContact CG-CD1 3.99Å; M35-L358 HydrophobicContact SD-CB 4.42Å; L38-L358 HydrophobicContact CD1-CD1 3.85Å; C354-L358 WeakPolarHBondContact O-CG 3.48Å; C354-L358 PolarHBondContact O-N 3.05Å; C354-L358 VanDerWaalsContact O-N 3.11Å; Y355-L358 PolarHBondContact O-N 3.3Å; I356-L358 VanDerWaalsContact C-N 3.34Å; I356-L358 PolarHBondContact O-N 2.93Å; L358-C360 VanDerWaalsContact C-N 3.34Å; L358-C360 PolarHBondContact O-N 3.39Å; L358-V361 PolarHBondContact O-N 3.01Å; L358-Y362 PolarHBondContact O-N 3.42Å
359	I	94.1	Very high	93.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-40.4	175.5	-76.3	-72.1	0	0	0	111.5	M35 L162 F305 I308 Y355 I356 Y362 G363	M35-I359 HydrophobicContact CE-CD1 3.42Å; M35-I359 VanDerWaalsContact CE-CD1 3.42Å; M35-I359 HydrophobicContact CE-CG1 4.21Å; M35-I359 HydrophobicContact SD-CD1 4.27Å; L162-I359 HydrophobicContact CD1-CD1 4.45Å; F305-I359 HydrophobicContact CD2-CG2 3.78Å; F305-I359 VanDerWaalsContact CD2-O 3.28Å; F305-I359 WeakPolarHBondContact CD2-O 3.46Å; F305-I359 HydrophobicContact CE2-CG2 4.04Å; F305-I359 WeakPolarHBondContact CE2-O 3.32Å; I308-I359 HydrophobicContact CD1-CD1 4.35Å; I308-I359 HydrophobicContact CG2-CD1 3.94Å; I308-I359 HydrophobicContact CG2-CG1 4.1Å; I308-I359 HydrophobicContact CG2-CG2 4.11Å; Y355-I359 HydrophobicContact CD1-CG1 4Å; Y355-I359 HydrophobicContact CE1-CD1 4.14Å; Y355-I359 HydrophobicContact CE1-CG1 3.68Å; Y355-I359 HydrophobicContact CE2-CG1 4.36Å; Y355-I359 HydrophobicContact CG-CG1 4.48Å; Y355-I359 WeakPolarHBondContact O-CB 3.15Å; Y355-I359 WeakPolarHBondContact O-CG1 3.18Å; Y355-I359 PolarHBondContact O-N 3.4Å; I356-I359 PolarHBondContact O-N 3.29Å; I359-Y362 PolarHBondContact O-N 2.93Å; I359-G363 PolarHBondContact O-N 3.49Å
360	C	94.1	Very high	93.3	Very high	37 Å²	37	41.8 Å²	41.8	25%	0.25	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-44.6	174.7	-74	0	0	0	0	112.2	I356 A357 L358 Y362 G363 I364	I356-C360 WeakPolarHBondContact O-CB 3.4Å; I356-C360 PolarHBondContact O-N 3.46Å; I356-C360 PolarHBondContact O-SG 3.29Å; A357-C360 PolarHBondContact O-N 2.89Å; L358-C360 VanDerWaalsContact C-N 3.34Å; L358-C360 PolarHBondContact O-N 3.39Å; C360-Y362 VanDerWaalsContact C-N 3.35Å; C360-G363 PolarHBondContact O-N 3.15Å; C360-I364 VanDerWaalsContact O-CG1 3.31Å; C360-I364 WeakPolarHBondContact O-CG1 3.38Å; C360-I364 PolarHBondContact O-N 3.38Å
361	V	95.2	Very high	93.3	Very high	62 Å²	62	39.7 Å²	39.7	38%	0.376	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-43.5	175	176.6	0	0	0	0	110.6	F27 L31 A357 L358 G363 I364 I365	F27-V361 HydrophobicContact CE1-CG1 4.14Å; F27-V361 HydrophobicContact CZ-CG1 4.4Å; L31-V361 HydrophobicContact CD2-CB 4.08Å; L31-V361 HydrophobicContact CD2-CG1 3.81Å; A357-V361 WeakPolarHBondContact O-CG2 3.27Å; A357-V361 PolarHBondContact O-N 3.45Å; A357-V361 VanDerWaalsContact O-N 3.15Å; L358-V361 PolarHBondContact O-N 3.01Å; V361-G363 VanDerWaalsContact C-N 3.33Å; V361-G363 PolarHBondContact O-N 2.86Å; V361-I364 PolarHBondContact O-N 3.44Å; V361-I365 HydrophobicContact CG1-CD1 4.2Å; V361-I365 WeakPolarHBondContact O-CD1 3.33Å; V361-I365 VanDerWaalsContact O-CG1 3.32Å; V361-I365 WeakPolarHBondContact O-CG1 3.36Å; V361-I365 PolarHBondContact O-N 2.98Å
362	Y	94.3	Very high	93.3	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-43	176.2	-168	-84.8	0	0	0	111.7	M28 L31 M35 L162 K301 L358 I359 C360 I365 C366	M28-Y362 HydrophobicContact CB-CD2 4.39Å; M28-Y362 HydrophobicContact CB-CE2 3.8Å; M28-Y362 HydrophobicContact CG-CD2 4.03Å; M28-Y362 HydrophobicContact CG-CE2 3.72Å; M28-Y362 HydrophobicContact SD-CE1 4.26Å; M28-Y362 HydrophobicContact SD-CE2 4.03Å; L31-Y362 HydrophobicContact CB-CD2 4.5Å; L31-Y362 HydrophobicContact CD2-CD2 4.05Å; L31-Y362 HydrophobicContact CD2-CG 4.38Å; L31-Y362 HydrophobicContact CG-CD2 4.21Å; M35-Y362 HydrophobicContact SD-CD2 4.48Å; L162-Y362 HydrophobicContact CD1-CD1 4.46Å; L162-Y362 HydrophobicContact CD1-CE1 4.16Å; L162-Y362 HydrophobicContact CD2-CE1 3.85Å; L162-Y362 HydrophobicContact CG-CE1 4.46Å; K301-Y362 WeakPolarHBondContact CE-OH 3.48Å; L358-Y362 PolarHBondContact O-N 3.42Å; I359-Y362 PolarHBondContact O-N 2.93Å; C360-Y362 VanDerWaalsContact C-N 3.35Å; Y362-I365 PolarHBondContact O-N 3.32Å; Y362-C366 VanDerWaalsContact CD1-SG 3.56Å; Y362-C366 WeakPolarHBondContact CE1-SG 3.38Å; Y362-C366 PolarHBondContact O-N 3.1Å; Y362-C366 PolarHBondContact O-SG 2.84Å
363	G	93.6	Very high	93.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-41.4	176.9	0	0	0	0	0	114	F305 I359 C360 V361 I365 C366 I367	F305-G363 VanDerWaalsContact CD2-CA 3.46Å; F305-G363 VanDerWaalsContact CG-CA 3.47Å; I359-G363 PolarHBondContact O-N 3.49Å; C360-G363 PolarHBondContact O-N 3.15Å; V361-G363 VanDerWaalsContact C-N 3.33Å; V361-G363 PolarHBondContact O-N 2.86Å; G363-I365 VanDerWaalsContact C-N 3.3Å; G363-I365 PolarHBondContact O-N 2.94Å; G363-C366 PolarHBondContact O-N 2.93Å; G363-I367 VanDerWaalsContact O-CG1 3.3Å; G363-I367 WeakPolarHBondContact O-CG1 3.47Å; G363-I367 PolarHBondContact O-N 3.32Å
364	I	94.6	Very high	93	Very high	118 Å²	118	42.3 Å²	42.3	61%	0.605	22%	0.22	S	C	*	.	H	α-helix	trans	-60.2	-41.6	175.3	-69.3	164.1	0	0	0	110.6	C360 V361 I367 Y368	C360-I364 VanDerWaalsContact O-CG1 3.31Å; C360-I364 WeakPolarHBondContact O-CG1 3.38Å; C360-I364 PolarHBondContact O-N 3.38Å; V361-I364 PolarHBondContact O-N 3.44Å; I364-I367 PolarHBondContact O-N 2.89Å; I364-Y368 WeakPolarHBondContact O-CB 3.46Å; I364-Y368 PolarHBondContact O-N 3.46Å
365	I	93.8	Very high	92.6	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-41	176.1	-54.4	154.9	0	0	0	111	W24 F27 M28 L31 V361 Y362 G363 I367 Y368 T369	W24-I365 HydrophobicContact CB-CG2 3.72Å; F27-I365 HydrophobicContact CD1-CD1 3.37Å; F27-I365 HydrophobicContact CD1-CG1 4.12Å; F27-I365 HydrophobicContact CE1-CD1 3.67Å; F27-I365 HydrophobicContact CE1-CG1 4.41Å; F27-I365 HydrophobicContact CG-CD1 4.34Å; M28-I365 HydrophobicContact CE-CG2 4.07Å; M28-I365 HydrophobicContact CG-CB 4.22Å; M28-I365 HydrophobicContact CG-CD1 4.22Å; M28-I365 HydrophobicContact CG-CG2 3.81Å; M28-I365 HydrophobicContact SD-CG2 4.11Å; L31-I365 HydrophobicContact CD2-CD1 4.06Å; V361-I365 HydrophobicContact CG1-CD1 4.2Å; V361-I365 WeakPolarHBondContact O-CD1 3.33Å; V361-I365 VanDerWaalsContact O-CG1 3.32Å; V361-I365 WeakPolarHBondContact O-CG1 3.36Å; V361-I365 PolarHBondContact O-N 2.98Å; Y362-I365 PolarHBondContact O-N 3.32Å; G363-I365 VanDerWaalsContact C-N 3.3Å; G363-I365 PolarHBondContact O-N 2.94Å; I365-I367 PolarHBondContact O-N 3.27Å; I365-Y368 PolarHBondContact O-N 3.16Å; I365-T369 HydrophobicContact CG2-CG2 4.47Å; I365-T369 WeakPolarHBondContact O-CG2 3.49Å; I365-T369 PolarHBondContact O-N 3.36Å; I365-T369 PolarHBondContact O-OG1 3.27Å
366	C	92.8	Very high	91.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-42.5	175.1	-69.4	0	0	0	0	112.1	Y362 G363 T369 L370	Y362-C366 VanDerWaalsContact CD1-SG 3.56Å; Y362-C366 WeakPolarHBondContact CE1-SG 3.38Å; Y362-C366 PolarHBondContact O-N 3.1Å; Y362-C366 PolarHBondContact O-SG 2.84Å; G363-C366 PolarHBondContact O-N 2.93Å; C366-T369 WeakPolarHBondContact CA-OG1 3.3Å; C366-T369 PolarHBondContact O-N 3Å; C366-T369 PolarHBondContact O-OG1 3.14Å; C366-L370 VanDerWaalsContact O-CB 3.27Å; C366-L370 WeakPolarHBondContact O-CB 3.47Å; C366-L370 PolarHBondContact O-N 3.44Å
367	I	92.8	Very high	91.5	Very high	90 Å²	90	59 Å²	59	46%	0.462	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-41.4	176.6	-68.5	164.1	0	0	0	110.8	T302 F305 G363 I364 I365 L370 F371	T302-I367 HydrophobicContact CG2-CG1 4.31Å; F305-I367 HydrophobicContact CE1-CD1 4.1Å; G363-I367 VanDerWaalsContact O-CG1 3.3Å; G363-I367 WeakPolarHBondContact O-CG1 3.47Å; G363-I367 PolarHBondContact O-N 3.32Å; I364-I367 PolarHBondContact O-N 2.89Å; I365-I367 PolarHBondContact O-N 3.27Å; I367-L370 PolarHBondContact O-N 2.85Å; I367-F371 VanDerWaalsContact O-CB 3.29Å; I367-F371 WeakPolarHBondContact O-CB 3.44Å; I367-F371 PolarHBondContact O-N 3.09Å
368	Y	93.5	Very high	91.1	Very high	94 Å²	94	56.4 Å²	56.4	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-60.5	-46.8	174.5	172.6	-90.6	0	0	0	112.2	W23 W24 I364 I365 F371 W372	W23-Y368 HydrophobicContact CH2-CD1 4.18Å; W23-Y368 HydrophobicContact CH2-CE1 4Å; W23-Y368 HydrophobicContact CZ2-CD1 4.14Å; W23-Y368 AromaticContact CZ2-CE1 3.5Å; W23-Y368 HydrophobicContact CZ2-CE1 3.5Å; W23-Y368 AromaticContact CZ2-CZ 3.75Å; W24-Y368 HydrophobicContact CE3-CD1 4.46Å; W24-Y368 AromaticContact CE3-CE1 3.72Å; W24-Y368 HydrophobicContact CE3-CE1 3.72Å; W24-Y368 AromaticContact CZ3-CE1 3.96Å; W24-Y368 HydrophobicContact CZ3-CE1 3.96Å; I364-Y368 WeakPolarHBondContact O-CB 3.46Å; I364-Y368 PolarHBondContact O-N 3.46Å; I365-Y368 PolarHBondContact O-N 3.16Å; Y368-F371 PolarHBondContact O-N 2.97Å; Y368-W372 WeakPolarHBondContact O-CB 3.35Å; Y368-W372 PolarHBondContact O-N 3.45Å
369	T	91.5	Very high	90.7	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-67.2	-38.2	179.4	48.9	0	0	0	0	112.1	W24 M28 I365 C366 W372 L373	W24-T369 HydrophobicContact CB-CG2 3.73Å; W24-T369 HydrophobicContact CD2-CG2 3.73Å; W24-T369 HydrophobicContact CG-CG2 3.3Å; M28-T369 HydrophobicContact CE-CG2 4.38Å; I365-T369 HydrophobicContact CG2-CG2 4.47Å; I365-T369 WeakPolarHBondContact O-CG2 3.49Å; I365-T369 PolarHBondContact O-N 3.36Å; I365-T369 PolarHBondContact O-OG1 3.27Å; C366-T369 WeakPolarHBondContact CA-OG1 3.3Å; C366-T369 PolarHBondContact O-N 3Å; C366-T369 PolarHBondContact O-OG1 3.14Å; T369-W372 PolarHBondContact O-N 3.07Å; T369-L373 VanDerWaalsContact O-CB 3.29Å; T369-L373 WeakPolarHBondContact O-CB 3.38Å; T369-L373 PolarHBondContact O-N 3.47Å
370	L	91.3	Very high	90.4	Very high	40 Å²	40	63 Å²	63	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-41.8	173.1	-163.1	72.7	0	0	0	111.8	T298 V299 T302 C366 I367 L373 F374	T298-L370 HydrophobicContact CG2-CB 4.28Å; T298-L370 HydrophobicContact CG2-CD1 4.01Å; V299-L370 HydrophobicContact CG2-CD1 3.77Å; T302-L370 HydrophobicContact CG2-CD2 4.27Å; C366-L370 VanDerWaalsContact O-CB 3.27Å; C366-L370 WeakPolarHBondContact O-CB 3.47Å; C366-L370 PolarHBondContact O-N 3.44Å; I367-L370 PolarHBondContact O-N 2.85Å; L370-L373 PolarHBondContact O-N 3.01Å; L370-F374 HydrophobicContact CD1-CD2 4.26Å; L370-F374 HydrophobicContact CD1-CE2 3.7Å; L370-F374 HydrophobicContact CG-CD2 4.09Å; L370-F374 HydrophobicContact CG-CE2 3.97Å; L370-F374 VanDerWaalsContact O-CD2 3.28Å; L370-F374 WeakPolarHBondContact O-CD2 3.21Å; L370-F374 PolarHBondContact O-N 3.07Å
371	F	92.1	Very high	90.2	Very high	115 Å²	115	62 Å²	62	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-66.3	-42.6	175.9	178.3	-109.1	0	0	0	112.4	I367 Y368 L373 R375	I367-F371 VanDerWaalsContact O-CB 3.29Å; I367-F371 WeakPolarHBondContact O-CB 3.44Å; I367-F371 PolarHBondContact O-N 3.09Å; Y368-F371 PolarHBondContact O-N 2.97Å; F371-L373 VanDerWaalsContact C-N 3.33Å; F371-L373 PolarHBondContact O-N 2.95Å; F371-R375 VanDerWaalsContact CZ-CD 3.46Å; F371-R375 WeakPolarHBondContact O-CB 3.47Å; F371-R375 PolarHBondContact O-N 2.96Å
372	W	91.8	Very high	89.8	Confident	18 Å²	18	61.5 Å²	61.5	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-45.2	172.8	177.6	94.9	0	0	0	111.4	W24 Y368 T369 F374 R376 L378 F404 M408 Q411	W24-W372 AromaticContact CH2-CD2 3.77Å; W24-W372 HydrophobicContact CH2-CD2 3.77Å; W24-W372 AromaticContact CH2-CE2 3.57Å; W24-W372 HydrophobicContact CH2-CE3 4.17Å; W24-W372 HydrophobicContact CH2-CG 4.17Å; W24-W372 HydrophobicContact CH2-CH2 4.27Å; W24-W372 AromaticContact CH2-CZ2 3.86Å; W24-W372 HydrophobicContact CH2-CZ2 3.86Å; W24-W372 HydrophobicContact CH2-CZ3 4.4Å; W24-W372 AromaticContact CH2-NE1 3.76Å; W24-W372 HydrophobicContact CZ2-CD2 4.11Å; W24-W372 HydrophobicContact CZ2-CE3 4.03Å; W24-W372 HydrophobicContact CZ2-CH2 4.16Å; W24-W372 HydrophobicContact CZ2-CZ2 4.22Å; W24-W372 HydrophobicContact CZ2-CZ3 4.05Å; Y368-W372 WeakPolarHBondContact O-CB 3.35Å; Y368-W372 PolarHBondContact O-N 3.45Å; T369-W372 PolarHBondContact O-N 3.07Å; W372-F374 PolarHBondContact O-N 3.03Å; W372-R376 PolarHBondContact O-N 2.88Å; W372-L378 HydrophobicContact CD2-CD1 4.39Å; W372-L378 HydrophobicContact CE3-CD1 3.72Å; W372-L378 HydrophobicContact CH2-CD1 3.74Å; W372-L378 HydrophobicContact CH2-CD2 3.86Å; W372-L378 HydrophobicContact CH2-CG 4.48Å; W372-L378 HydrophobicContact CZ2-CD1 4.4Å; W372-L378 HydrophobicContact CZ2-CD2 3.93Å; W372-L378 HydrophobicContact CZ3-CD1 3.37Å; W372-L378 HydrophobicContact CZ3-CD2 4.33Å; W372-F404 HydrophobicContact CZ3-CE2 4.46Å; W372-M408 HydrophobicContact CH2-SD 3.81Å; W372-M408 HydrophobicContact CZ3-SD 4.11Å; W372-Q411 HydrophobicContact CZ2-CG 3.85Å
373	L	89.6	Confident	89.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-36	-177.4	-168.2	83.4	0	0	0	113.9	Y291 Y294 A295 T369 L370 F371 L378 F404	Y291-L373 HydrophobicContact CE2-CD1 4.01Å; Y291-L373 HydrophobicContact CE2-CG 4.35Å; Y294-L373 HydrophobicContact CD1-CD1 3.81Å; Y294-L373 HydrophobicContact CE1-CD1 4.03Å; A295-L373 HydrophobicContact CB-CD2 3.68Å; T369-L373 VanDerWaalsContact O-CB 3.29Å; T369-L373 WeakPolarHBondContact O-CB 3.38Å; T369-L373 PolarHBondContact O-N 3.47Å; L370-L373 PolarHBondContact O-N 3.01Å; F371-L373 VanDerWaalsContact C-N 3.33Å; F371-L373 PolarHBondContact O-N 2.95Å; L373-L378 HydrophobicContact CD1-CD1 3.83Å; L373-L378 HydrophobicContact CG-CD1 4.4Å; L373-F404 HydrophobicContact CD1-CE2 4.3Å
374	F	87.1	Confident	88.9	Confident	136 Å²	136	67.1 Å²	67.1	60%	0.596	31%	0.311	S	S	*	.	H	α-helix	trans	-97.1	-20	-179.2	-71.1	-60.1	0	0	0	114.4	L370 W372	L370-F374 HydrophobicContact CD1-CD2 4.26Å; L370-F374 HydrophobicContact CD1-CE2 3.7Å; L370-F374 HydrophobicContact CG-CD2 4.09Å; L370-F374 HydrophobicContact CG-CE2 3.97Å; L370-F374 VanDerWaalsContact O-CD2 3.28Å; L370-F374 WeakPolarHBondContact O-CD2 3.21Å; L370-F374 PolarHBondContact O-N 3.07Å; W372-F374 PolarHBondContact O-N 3.03Å
375	R	86.7	Confident	88.1	Confident	186 Å²	186	67.6 Å²	67.6	70%	0.702	31%	0.309	S	S	*	.	H	α-helix	trans	-81.4	-19.5	-180	-174.3	169.5	-179.7	-167.9	1.7	113.6	F371	F371-R375 VanDerWaalsContact CZ-CD 3.46Å; F371-R375 WeakPolarHBondContact O-CB 3.47Å; F371-R375 PolarHBondContact O-N 2.96Å
376	R	79.4	Confident	87.4	Confident	140 Å²	140	67.5 Å²	67.5	53%	0.528	31%	0.308	S	S	.	.	S	Bend	trans	-115.7	143.4	177.2	-70.9	-172.7	172.3	-160.2	-1.5	111.2	W372 L378	W372-R376 PolarHBondContact O-N 2.88Å; R376-L378 HydrophobicContact CB-CD2 4.05Å; R376-L378 HydrophobicContact CB-CG 4.17Å; R376-L378 PolarHBondContact O-N 3.15Å
377	P	83.6	Confident	87	Confident	99 Å²	99	70.7 Å²	70.7	64%	0.643	32%	0.32	S	S	*	.			trans	-76.1	71.2	174.5	33	-35.6	0	0	0	110.8	K379 E380	P377-K379 PolarHBondContact O-N 3.34Å; P377-E380 PolarHBondContact O-N 3.24Å
378	L	87	Confident	86.3	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.01	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-1	-174.9	-61.9	170.9	0	0	0	115	Y291 W372 L373 R376 F404 H407	Y291-L378 HydrophobicContact CE2-CB 4.17Å; W372-L378 HydrophobicContact CD2-CD1 4.39Å; W372-L378 HydrophobicContact CE3-CD1 3.72Å; W372-L378 HydrophobicContact CH2-CD1 3.74Å; W372-L378 HydrophobicContact CH2-CD2 3.86Å; W372-L378 HydrophobicContact CH2-CG 4.48Å; W372-L378 HydrophobicContact CZ2-CD1 4.4Å; W372-L378 HydrophobicContact CZ2-CD2 3.93Å; W372-L378 HydrophobicContact CZ3-CD1 3.37Å; W372-L378 HydrophobicContact CZ3-CD2 4.33Å; L373-L378 HydrophobicContact CD1-CD1 3.83Å; L373-L378 HydrophobicContact CG-CD1 4.4Å; R376-L378 HydrophobicContact CB-CD2 4.05Å; R376-L378 HydrophobicContact CB-CG 4.17Å; R376-L378 PolarHBondContact O-N 3.15Å; L378-F404 HydrophobicContact CB-CD2 4.27Å; L378-F404 WeakPolarHBondContact O-CA 3.19Å; L378-F404 PolarHBondContact O-N 2.9Å; L378-H407 HydrophobicContact CD2-CB 3.75Å
379	K	85.8	Confident	85.3	Confident	68 Å²	68	74.4 Å²	74.4	30%	0.296	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.1	171.6	-75.2	-166.2	164.4	-156	0	113.8	D288 Y291 P377 K399 N400	D288-K379 IonicContact OD2-NZ 3.69Å; D288-K379 PolarHBondContact OD2-NZ 3.47Å; Y291-K379 HydrophobicContact CD1-CG 4.29Å; Y291-K379 HydrophobicContact CE1-CG 4.38Å; Y291-K379 HydrophobicContact CG-CG 4.44Å; P377-K379 PolarHBondContact O-N 3.34Å; K379-K399 CarbonylContact O-C 3.52Å; K379-K399 VanDerWaalsContact O-CA 3.32Å; K379-K399 WeakPolarHBondContact O-CA 3.37Å; K379-N400 PolarHBondContact O-N 3.16Å
380	E	88.9	Confident	84.4	Confident	103 Å²	103	74.8 Å²	74.8	48%	0.481	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.4	176.5	-60.4	-170.6	130	0	0	108.7	P377 K399 H407	P377-E380 PolarHBondContact O-N 3.24Å; E380-K399 HydrophobicContact CG-CD 4.42Å; E380-K399 HydrophobicContact CG-CG 4.46Å; E380-K399 WeakPolarHBondContact OE1-CE 3.43Å; E380-K399 IonicContact OE1-NZ 2.92Å; E380-K399 PolarHBondContact OE1-NZ 3.33Å; E380-H407 PolarHBondContact O-NE2 2.87Å
381	Y	89.5	Confident	83.5	Confident	15 Å²	15	75.4 Å²	75.4	6%	0.059	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.2	178.7	-175.5	-78	0	0	0	108.5	F383 V398 L406 H407 D410 S417	Y381-F383 AromaticContact CD1-CD2 4Å; Y381-F383 HydrophobicContact CD1-CD2 4Å; Y381-F383 HydrophobicContact CD1-CE1 4.34Å; Y381-F383 AromaticContact CD1-CE2 3.78Å; Y381-F383 HydrophobicContact CD1-CE2 3.78Å; Y381-F383 HydrophobicContact CD1-CG 4.38Å; Y381-F383 AromaticContact CD1-CZ 3.96Å; Y381-F383 HydrophobicContact CD1-CZ 3.96Å; Y381-F383 AromaticContact CE1-CD1 3.83Å; Y381-F383 HydrophobicContact CE1-CD1 3.83Å; Y381-F383 HydrophobicContact CE1-CD2 4.1Å; Y381-F383 AromaticContact CE1-CE1 3.69Å; Y381-F383 HydrophobicContact CE1-CE1 3.69Å; Y381-F383 AromaticContact CE1-CE2 3.97Å; Y381-F383 HydrophobicContact CE1-CE2 3.97Å; Y381-F383 HydrophobicContact CE1-CG 4.03Å; Y381-F383 AromaticContact CE1-CZ 3.76Å; Y381-F383 HydrophobicContact CE1-CZ 3.76Å; Y381-V398 HydrophobicContact CD1-CG2 4.26Å; Y381-V398 HydrophobicContact CG-CG2 4.44Å; Y381-V398 PolarHBondContact N-O 3.1Å; Y381-V398 PolarHBondContact O-N 3.17Å; Y381-L406 HydrophobicContact CD1-CB 4.41Å; Y381-L406 HydrophobicContact CD1-CD1 4.18Å; Y381-L406 HydrophobicContact CD2-CB 3.78Å; Y381-L406 HydrophobicContact CE2-CB 3.95Å; Y381-L406 HydrophobicContact CG-CB 4.05Å; Y381-L406 HydrophobicContact CG-CD1 4.4Å; Y381-H407 AromaticContact CD2-CD2 3.84Å; Y381-H407 AromaticContact CD2-CE1 3.66Å; Y381-H407 AromaticContact CD2-CG 3.83Å; Y381-H407 AromaticContact CD2-ND1 3.77Å; Y381-H407 AromaticContact CD2-NE2 3.73Å; Y381-D410 VanDerWaalsContact CE2-OD2 3.26Å; Y381-D410 WeakPolarHBondContact CE2-OD2 3.36Å; Y381-D410 VanDerWaalsContact OH-CG 3.3Å; Y381-D410 PolarHBondContact OH-OD1 3.17Å; Y381-D410 PolarHBondContact OH-OD2 3.37Å; Y381-S417 WeakPolarHBondContact OH-CB 3.23Å
382	S	87.1	Confident	82.9	Confident	52 Å²	52	70.1 Å²	70.1	36%	0.364	33%	0.326	S	S	.	.			trans	-107.5	131.4	-179.3	171.7	0	0	0	0	110.1	E384 R387 D397	S382-E384 PolarHBondContact O-N 3.07Å; S382-E384 WeakPolarHBondContact OG-CB 3.31Å; S382-E384 PolarHBondContact OG-N 3.31Å; S382-R387 PolarHBondContact OG-NH2 3.14Å; S382-R387 VanDerWaalsContact OG-NH2 3.13Å; S382-D397 VanDerWaalsContact CA-OD1 3.26Å; S382-D397 WeakPolarHBondContact CA-OD1 3.24Å; S382-D397 PolarHBondContact OG-OD1 3Å
383	F	85.5	Confident	82.3	Confident	1 Å²	1	73.8 Å²	73.8	0%	0.004	36%	0.355	C	S	.	.			trans	-86.1	19.2	176.8	-73.9	-87	0	0	0	112.8	Y381 K385 V386 R387 I395 P396 D397 V398 L406 L424	Y381-F383 AromaticContact CD1-CD2 4Å; Y381-F383 HydrophobicContact CD1-CD2 4Å; Y381-F383 HydrophobicContact CD1-CE1 4.34Å; Y381-F383 AromaticContact CD1-CE2 3.78Å; Y381-F383 HydrophobicContact CD1-CE2 3.78Å; Y381-F383 HydrophobicContact CD1-CG 4.38Å; Y381-F383 AromaticContact CD1-CZ 3.96Å; Y381-F383 HydrophobicContact CD1-CZ 3.96Å; Y381-F383 AromaticContact CE1-CD1 3.83Å; Y381-F383 HydrophobicContact CE1-CD1 3.83Å; Y381-F383 HydrophobicContact CE1-CD2 4.1Å; Y381-F383 AromaticContact CE1-CE1 3.69Å; Y381-F383 HydrophobicContact CE1-CE1 3.69Å; Y381-F383 AromaticContact CE1-CE2 3.97Å; Y381-F383 HydrophobicContact CE1-CE2 3.97Å; Y381-F383 HydrophobicContact CE1-CG 4.03Å; Y381-F383 AromaticContact CE1-CZ 3.76Å; Y381-F383 HydrophobicContact CE1-CZ 3.76Å; F383-K385 PolarHBondContact O-N 3.45Å; F383-V386 HydrophobicContact CB-CB 4.42Å; F383-V386 HydrophobicContact CD1-CB 4.5Å; F383-V386 HydrophobicContact CD1-CG2 4.03Å; F383-V386 WeakPolarHBondContact O-CA 3.29Å; F383-V386 WeakPolarHBondContact O-CB 3.29Å; F383-V386 PolarHBondContact O-N 3.39Å; F383-R387 PolarHBondContact O-N 3.18Å; F383-I395 HydrophobicContact CB-CB 4.33Å; F383-I395 HydrophobicContact CB-CG2 3.54Å; F383-I395 HydrophobicContact CD1-CG2 4.1Å; F383-I395 HydrophobicContact CD2-CG2 3.79Å; F383-I395 HydrophobicContact CG-CG2 3.55Å; F383-P396 WeakPolarHBondContact CD2-O 3.44Å; F383-D397 PolarHBondContact N-OD1 3.09Å; F383-V398 HydrophobicContact CE2-CG1 4.17Å; F383-V398 HydrophobicContact CE2-CG2 3.9Å; F383-L406 HydrophobicContact CE2-CD1 4.26Å; F383-L406 HydrophobicContact CZ-CD1 3.75Å; F383-L424 HydrophobicContact CD2-CD1 4.36Å; F383-L424 HydrophobicContact CE1-CD1 4.46Å; F383-L424 HydrophobicContact CE2-CD1 3.52Å; F383-L424 HydrophobicContact CZ-CD1 3.58Å
384	E	82.6	Confident	82.1	Confident	119 Å²	119	76.2 Å²	76.2	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-41.1	-54.2	-178.7	-173.6	165.8	-129.9	0	0	113.6	S382 V386 R387 E388	S382-E384 PolarHBondContact O-N 3.07Å; S382-E384 WeakPolarHBondContact OG-CB 3.31Å; S382-E384 PolarHBondContact OG-N 3.31Å; E384-V386 PolarHBondContact O-N 3.14Å; E384-R387 CarbonylContact O-C 3.4Å; E384-R387 WeakPolarHBondContact O-CA 3.35Å; E384-R387 WeakPolarHBondContact O-CB 3.49Å; E384-R387 PolarHBondContact O-N 3.41Å; E384-E388 WeakPolarHBondContact O-CG 3.42Å; E384-E388 PolarHBondContact O-N 3.27Å
385	K	77.9	Confident	82.1	Confident	129 Å²	129	69.9 Å²	69.9	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-61.2	-28.9	177.7	-63.7	-176.9	178.6	-176.6	0	114.6	F383 E389	F383-K385 PolarHBondContact O-N 3.45Å; K385-E389 VanDerWaalsContact O-CB 3.28Å; K385-E389 WeakPolarHBondContact O-CB 3.47Å; K385-E389 WeakPolarHBondContact O-CG 3.46Å; K385-E389 PolarHBondContact O-N 3.23Å
386	V	79.2	Confident	82.2	Confident	8 Å²	8	62.7 Å²	62.7	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-80	-32.5	177.2	-167.3	0	0	0	0	110.3	F383 E384 E388 S390 I395 K418	F383-V386 HydrophobicContact CB-CB 4.42Å; F383-V386 HydrophobicContact CD1-CB 4.5Å; F383-V386 HydrophobicContact CD1-CG2 4.03Å; F383-V386 WeakPolarHBondContact O-CA 3.29Å; F383-V386 WeakPolarHBondContact O-CB 3.29Å; F383-V386 PolarHBondContact O-N 3.39Å; E384-V386 PolarHBondContact O-N 3.14Å; V386-E388 VanDerWaalsContact C-N 3.32Å; V386-S390 PolarHBondContact O-N 3.04Å; V386-S390 VanDerWaalsContact O-N 3.08Å; V386-S390 PolarHBondContact O-OG 3.25Å; V386-I395 HydrophobicContact CB-CD1 4.33Å; V386-I395 HydrophobicContact CG1-CD1 3.77Å; V386-K418 HydrophobicContact CG2-CG 4.13Å
387	R	84.6	Confident	82.6	Confident	68 Å²	68	59.4 Å²	59.4	26%	0.257	31%	0.311	S	S	.	.	H	α-helix	trans	-72.5	-22	169.9	-62.2	-171.8	-70.8	-111.9	0	113.2	S382 F383 E384 S393 I395 D397	S382-R387 PolarHBondContact OG-NH2 3.14Å; S382-R387 VanDerWaalsContact OG-NH2 3.13Å; F383-R387 PolarHBondContact O-N 3.18Å; E384-R387 CarbonylContact O-C 3.4Å; E384-R387 WeakPolarHBondContact O-CA 3.35Å; E384-R387 WeakPolarHBondContact O-CB 3.49Å; E384-R387 PolarHBondContact O-N 3.41Å; R387-S393 VanDerWaalsContact CD-O 3.3Å; R387-S393 WeakPolarHBondContact CD-O 3.48Å; R387-I395 HydrophobicContact CG-CB 4.25Å; R387-I395 PolarHBondContact NH1-O 3.16Å; R387-D397 IonicContact CZ-OD1 3.99Å; R387-D397 VanDerWaalsContact CZ-OD1 3.3Å; R387-D397 IonicContact NH1-OD1 3.44Å; R387-D397 PolarHBondContact NH1-OD1 3.13Å; R387-D397 IonicContact NH1-OD2 3.85Å; R387-D397 IonicContact NH2-OD1 2.62Å; R387-D397 PolarHBondContact NH2-OD1 3.07Å; R387-D397 IonicContact NH2-OD2 2.72Å
388	E	78.5	Confident	82.9	Confident	148 Å²	148	54.7 Å²	54.7	69%	0.692	28%	0.28	S	S	*	.	H	α-helix	trans	-84.8	-36.4	171.8	-71	178.2	143.4	0	0	112.8	E384 V386	E384-E388 WeakPolarHBondContact O-CG 3.42Å; E384-E388 PolarHBondContact O-N 3.27Å; V386-E388 VanDerWaalsContact C-N 3.32Å
389	E	72.8	Confident	83	Confident	114 Å²	114	59.3 Å²	59.3	53%	0.533	30%	0.3	S	S	.	.	S	Bend	trans	-90.9	-0.1	-179.5	-71.9	-173.8	-134.9	0	0	114.6	K385 K418	K385-E389 VanDerWaalsContact O-CB 3.28Å; K385-E389 WeakPolarHBondContact O-CB 3.47Å; K385-E389 WeakPolarHBondContact O-CG 3.46Å; K385-E389 PolarHBondContact O-N 3.23Å; E389-K418 WeakPolarHBondContact OE1-CE 3.36Å; E389-K418 IonicContact OE1-NZ 2.65Å; E389-K418 PolarHBondContact OE1-NZ 2.96Å; E389-K418 IonicContact OE2-NZ 3.61Å; E389-K418 PolarHBondContact OE2-NZ 2.83Å
390	S	71.2	Confident	83.2	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.063	30%	0.299	C	S	.	.	S	Bend	trans	-151.3	154	177.1	73.1	0	0	0	0	112.2	V386 F392	V386-S390 PolarHBondContact O-N 3.04Å; V386-S390 VanDerWaalsContact O-N 3.08Å; V386-S390 PolarHBondContact O-OG 3.25Å; S390-F392 PolarHBondContact O-N 3.47Å
391	S	71.9	Confident	83.3	Confident	54 Å²	54	53.6 Å²	53.6	38%	0.378	28%	0.276	S	S	.	.	S	Bend	trans	-66.5	-4.9	-179.7	59.9	0	0	0	0	114.7	T202 E205 S393	T202-S391 WeakPolarHBondContact CG2-OG 3.35Å; E205-S391 PolarHBondContact OE2-OG 2.84Å; S391-S393 VanDerWaalsContact C-N 3.29Å; S391-S393 PolarHBondContact O-N 3.39Å
392	F	79.4	Confident	83.4	Confident	3 Å²	3	52.9 Å²	52.9	1%	0.013	27%	0.273	C	S	.	.			trans	-77.8	69.4	175.6	-58.8	-65.3	0	0	0	112.6	A198 T202 S390 D394 I395 S425 V427	A198-F392 HydrophobicContact CB-CE2 4.41Å; A198-F392 HydrophobicContact CB-CZ 4.33Å; T202-F392 HydrophobicContact CG2-CD2 3.97Å; T202-F392 HydrophobicContact CG2-CE2 3.4Å; T202-F392 HydrophobicContact CG2-CZ 3.81Å; S390-F392 PolarHBondContact O-N 3.47Å; F392-D394 PolarHBondContact O-N 2.86Å; F392-I395 HydrophobicContact CB-CD1 3.84Å; F392-I395 HydrophobicContact CB-CG1 3.98Å; F392-I395 WeakPolarHBondContact O-CD1 3.11Å; F392-I395 WeakPolarHBondContact O-CG1 3.48Å; F392-S425 WeakPolarHBondContact CD1-OG 3.42Å; F392-V427 HydrophobicContact CD1-CB 4.32Å; F392-V427 HydrophobicContact CD1-CG1 4.25Å; F392-V427 HydrophobicContact CE1-CG1 4.28Å
393	S	79.6	Confident	83.6	Confident	95 Å²	95	50.4 Å²	50.4	66%	0.664	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.3	175.1	59	0	0	0	0	114.5	R387 S391	R387-S393 VanDerWaalsContact CD-O 3.3Å; R387-S393 WeakPolarHBondContact CD-O 3.48Å; S391-S393 VanDerWaalsContact C-N 3.29Å; S391-S393 PolarHBondContact O-N 3.39Å
394	D	86.5	Confident	84	Confident	52 Å²	52	50.3 Å²	50.3	28%	0.278	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.3	-176.5	70.9	-45.6	0	0	0	114.5	F392 P396 S425 E426 V427	F392-D394 PolarHBondContact O-N 2.86Å; D394-P396 VanDerWaalsContact O-CD 3.31Å; D394-P396 WeakPolarHBondContact O-CD 3.45Å; D394-P396 VanDerWaalsContact O-N 3.13Å; D394-S425 WeakPolarHBondContact OD1-CB 3.31Å; D394-S425 PolarHBondContact OD1-OG 3.41Å; D394-S425 WeakPolarHBondContact OD2-CA 3.16Å; D394-S425 PolarHBondContact OD2-OG 3.4Å; D394-E426 PolarHBondContact OD2-N 3.21Å; D394-V427 HydrophobicContact CB-CG2 4.18Å; D394-V427 PolarHBondContact OD2-N 3.33Å
395	I	86.4	Confident	84.4	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-56.3	118.5	-177.1	-62.2	168.8	0	0	0	109.9	F383 V386 R387 F392 L424	F383-I395 HydrophobicContact CB-CB 4.33Å; F383-I395 HydrophobicContact CB-CG2 3.54Å; F383-I395 HydrophobicContact CD1-CG2 4.1Å; F383-I395 HydrophobicContact CD2-CG2 3.79Å; F383-I395 HydrophobicContact CG-CG2 3.55Å; V386-I395 HydrophobicContact CB-CD1 4.33Å; V386-I395 HydrophobicContact CG1-CD1 3.77Å; R387-I395 HydrophobicContact CG-CB 4.25Å; R387-I395 PolarHBondContact NH1-O 3.16Å; F392-I395 HydrophobicContact CB-CD1 3.84Å; F392-I395 HydrophobicContact CB-CG1 3.98Å; F392-I395 WeakPolarHBondContact O-CD1 3.11Å; F392-I395 WeakPolarHBondContact O-CG1 3.48Å; I395-L424 HydrophobicContact CG2-CB 4.29Å
396	P	88.3	Confident	85.1	Confident	36 Å²	36	38.5 Å²	38.5	23%	0.234	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-78.8	143.7	-175	30.4	-36.2	0	0	0	112.9	F383 D394 L424	F383-P396 WeakPolarHBondContact CD2-O 3.44Å; D394-P396 VanDerWaalsContact O-CD 3.31Å; D394-P396 WeakPolarHBondContact O-CD 3.45Å; D394-P396 VanDerWaalsContact O-N 3.13Å; P396-L424 WeakPolarHBondContact CD-O 3.44Å; P396-L424 HydrophobicContact CG-CB 4.23Å
397	D	88.5	Confident	85.7	Confident	71 Å²	71	39.4 Å²	39.4	38%	0.38	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-70.1	152	169	-63.2	-23.2	0	0	0	111.1	R281 S382 F383 R387	R281-D397 PolarHBondContact NH2-O 2.81Å; S382-D397 VanDerWaalsContact CA-OD1 3.26Å; S382-D397 WeakPolarHBondContact CA-OD1 3.24Å; S382-D397 PolarHBondContact OG-OD1 3Å; F383-D397 PolarHBondContact N-OD1 3.09Å; R387-D397 IonicContact CZ-OD1 3.99Å; R387-D397 VanDerWaalsContact CZ-OD1 3.3Å; R387-D397 IonicContact NH1-OD1 3.44Å; R387-D397 PolarHBondContact NH1-OD1 3.13Å; R387-D397 IonicContact NH1-OD2 3.85Å; R387-D397 IonicContact NH2-OD1 2.62Å; R387-D397 PolarHBondContact NH2-OD1 3.07Å; R387-D397 IonicContact NH2-OD2 2.72Å
398	V	89.1	Confident	85.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.2	-168.7	-61	0	0	0	0	112.5	E285 Y381 F383 F402 L406 L424	E285-V398 VanDerWaalsContact OE1-CA 3.27Å; E285-V398 WeakPolarHBondContact OE1-CA 3.46Å; E285-V398 WeakPolarHBondContact OE1-CB 3.43Å; Y381-V398 HydrophobicContact CD1-CG2 4.26Å; Y381-V398 HydrophobicContact CG-CG2 4.44Å; Y381-V398 PolarHBondContact N-O 3.1Å; Y381-V398 PolarHBondContact O-N 3.17Å; F383-V398 HydrophobicContact CE2-CG1 4.17Å; F383-V398 HydrophobicContact CE2-CG2 3.9Å; V398-F402 HydrophobicContact CB-CD1 3.67Å; V398-F402 HydrophobicContact CB-CE1 4Å; V398-F402 HydrophobicContact CG1-CD1 4.08Å; V398-F402 HydrophobicContact CG1-CE1 3.9Å; V398-F402 HydrophobicContact CG2-CD1 3.62Å; V398-F402 HydrophobicContact CG2-CE1 3.9Å; V398-L406 HydrophobicContact CG2-CD1 3.75Å; V398-L424 HydrophobicContact CG1-CD1 4.27Å
399	K	88.9	Confident	86.6	Confident	99 Å²	99	29.1 Å²	29.1	43%	0.43	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	167.6	-164.6	-56.2	-159.8	-179.3	-150.7	0	116.3	E285 K379 E380 F402 A403	E285-K399 PolarHBondContact OE1-N 2.85Å; K379-K399 CarbonylContact O-C 3.52Å; K379-K399 VanDerWaalsContact O-CA 3.32Å; K379-K399 WeakPolarHBondContact O-CA 3.37Å; E380-K399 HydrophobicContact CG-CD 4.42Å; E380-K399 HydrophobicContact CG-CG 4.46Å; E380-K399 WeakPolarHBondContact OE1-CE 3.43Å; E380-K399 IonicContact OE1-NZ 2.92Å; E380-K399 PolarHBondContact OE1-NZ 3.33Å; K399-F402 PolarHBondContact O-N 2.83Å; K399-A403 PolarHBondContact O-N 3.18Å
400	N	90.6	Very high	87.4	Confident	50 Å²	50	25.5 Å²	25.5	27%	0.267	15%	0.145	S	C	.	.	H	α-helix	trans	50.5	-130.7	176.2	-57.5	-53.3	0	0	0	114.5	E285 S287 D288 K379 F402 A403 F404	E285-N400 WeakPolarHBondContact O-CB 3.29Å; E285-N400 PolarHBondContact O-ND2 2.83Å; S287-N400 WeakPolarHBondContact O-CB 3.16Å; D288-N400 HydrophobicContact CB-CB 4.33Å; K379-N400 PolarHBondContact O-N 3.16Å; N400-F402 PolarHBondContact O-N 3.15Å; N400-A403 WeakPolarHBondContact O-CB 3.43Å; N400-A403 PolarHBondContact O-N 3.33Å; N400-F404 PolarHBondContact O-N 2.83Å
401	D	90.5	Very high	88.3	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.1	-32.1	-176.6	-81.9	-21.8	0	0	0	112.4	V284 S287 D288 L289 I290 Y291 F404 L405	V284-D401 HydrophobicContact CG1-CB 3.76Å; S287-D401 VanDerWaalsContact C-CG 3.46Å; S287-D401 VanDerWaalsContact CB-OD2 3.3Å; S287-D401 WeakPolarHBondContact CB-OD2 3.49Å; S287-D401 WeakPolarHBondContact O-CB 3.17Å; S287-D401 PolarHBondContact O-N 2.95Å; S287-D401 PolarHBondContact OG-OD2 3.43Å; D288-D401 VanDerWaalsContact CA-CG 3.49Å; D288-D401 VanDerWaalsContact CA-OD1 3.23Å; D288-D401 WeakPolarHBondContact CA-OD1 3.28Å; D288-D401 PolarHBondContact N-OD2 2.9Å; L289-D401 PolarHBondContact N-OD1 3.34Å; L289-D401 PolarHBondContact N-OD2 3.31Å; I290-D401 WeakPolarHBondContact CA-OD1 3.48Å; I290-D401 HydrophobicContact CB-CB 4.28Å; I290-D401 VanDerWaalsContact CB-OD1 3.31Å; I290-D401 WeakPolarHBondContact CB-OD1 3.43Å; I290-D401 HydrophobicContact CD1-CB 4.14Å; I290-D401 HydrophobicContact CG1-CB 4.28Å; I290-D401 VanDerWaalsContact N-CG 3.31Å; I290-D401 PolarHBondContact N-OD1 2.84Å; I290-D401 PolarHBondContact N-OD2 2.67Å; I290-D401 VanDerWaalsContact N-OD2 3.14Å; Y291-D401 PolarHBondContact N-OD1 3.24Å; D401-F404 PolarHBondContact O-N 3.44Å; D401-L405 VanDerWaalsContact O-CG 3.3Å; D401-L405 WeakPolarHBondContact O-CG 3.41Å; D401-L405 PolarHBondContact O-N 2.93Å
402	F	92.1	Very high	89.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.5	-43.9	179.6	-168.8	-88.8	0	0	0	111.5	F280 V284 E285 V398 K399 N400 F404 L405 L406 F420	F280-F402 HydrophobicContact CD1-CD2 4.25Å; F280-F402 AromaticContact CD1-CE2 3.78Å; F280-F402 HydrophobicContact CD1-CE2 3.78Å; F280-F402 AromaticContact CE1-CD2 3.88Å; F280-F402 HydrophobicContact CE1-CD2 3.88Å; F280-F402 AromaticContact CE1-CE2 3.74Å; F280-F402 HydrophobicContact CE1-CE2 3.74Å; V284-F402 HydrophobicContact CB-CB 4.34Å; V284-F402 HydrophobicContact CB-CD2 4.25Å; V284-F402 HydrophobicContact CG1-CB 3.93Å; V284-F402 HydrophobicContact CG1-CD2 4.36Å; E285-F402 HydrophobicContact CG-CB 4.15Å; V398-F402 HydrophobicContact CB-CD1 3.67Å; V398-F402 HydrophobicContact CB-CE1 4Å; V398-F402 HydrophobicContact CG1-CD1 4.08Å; V398-F402 HydrophobicContact CG1-CE1 3.9Å; V398-F402 HydrophobicContact CG2-CD1 3.62Å; V398-F402 HydrophobicContact CG2-CE1 3.9Å; K399-F402 PolarHBondContact O-N 2.83Å; N400-F402 PolarHBondContact O-N 3.15Å; F402-F404 VanDerWaalsContact C-N 3.35Å; F402-L405 PolarHBondContact O-N 3.02Å; F402-L406 HydrophobicContact CD1-CD1 3.8Å; F402-L406 HydrophobicContact CE1-CD1 3.51Å; F402-L406 HydrophobicContact CE1-CG 4.45Å; F402-L406 HydrophobicContact CZ-CD1 4.41Å; F402-L406 PolarHBondContact O-N 2.76Å; F402-L406 VanDerWaalsContact O-N 3.12Å; F402-F420 HydrophobicContact CE1-CE1 4.24Å; F402-F420 HydrophobicContact CE2-CZ 4.28Å; F402-F420 AromaticContact CZ-CE1 3.6Å; F402-F420 HydrophobicContact CZ-CE1 3.6Å; F402-F420 AromaticContact CZ-CZ 3.66Å; F402-F420 HydrophobicContact CZ-CZ 3.66Å
403	A	92.1	Very high	89.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-44.2	171.4	0	0	0	0	0	111.9	K399 N400 L405 L406 H407	K399-A403 PolarHBondContact O-N 3.18Å; N400-A403 WeakPolarHBondContact O-CB 3.43Å; N400-A403 PolarHBondContact O-N 3.33Å; A403-L405 PolarHBondContact O-N 3.28Å; A403-L406 PolarHBondContact O-N 2.89Å; A403-H407 PolarHBondContact O-CD2 3.33Å; A403-H407 PolarHBondContact O-N 3.47Å
404	F	93	Very high	90	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-43.3	178.3	174.9	-108.6	0	0	0	112.3	I290 Y291 Y294 W372 L373 L378 N400 D401 F402 L406 H407 M408	I290-F404 HydrophobicContact CG2-CD1 3.97Å; I290-F404 HydrophobicContact CG2-CE1 3.99Å; Y291-F404 HydrophobicContact CD2-CB 4.42Å; Y291-F404 AromaticContact CD2-CD2 3.76Å; Y291-F404 HydrophobicContact CD2-CD2 3.76Å; Y291-F404 HydrophobicContact CD2-CE2 4.29Å; Y291-F404 HydrophobicContact CD2-CG 4.09Å; Y294-F404 HydrophobicContact CD1-CE2 4.18Å; Y294-F404 AromaticContact CD1-CZ 3.68Å; Y294-F404 HydrophobicContact CD1-CZ 3.68Å; Y294-F404 HydrophobicContact CD2-CE1 4.48Å; Y294-F404 AromaticContact CD2-CZ 3.96Å; Y294-F404 HydrophobicContact CD2-CZ 3.96Å; Y294-F404 HydrophobicContact CE1-CZ 4.26Å; Y294-F404 HydrophobicContact CG-CE1 4.15Å; Y294-F404 HydrophobicContact CG-CE2 4.44Å; Y294-F404 AromaticContact CG-CZ 3.51Å; Y294-F404 HydrophobicContact CG-CZ 3.51Å; W372-F404 HydrophobicContact CZ3-CE2 4.46Å; L373-F404 HydrophobicContact CD1-CE2 4.3Å; L378-F404 HydrophobicContact CB-CD2 4.27Å; L378-F404 WeakPolarHBondContact O-CA 3.19Å; L378-F404 PolarHBondContact O-N 2.9Å; N400-F404 PolarHBondContact O-N 2.83Å; D401-F404 PolarHBondContact O-N 3.44Å; F402-F404 VanDerWaalsContact C-N 3.35Å; F404-L406 PolarHBondContact O-N 3.2Å; F404-H407 PolarHBondContact O-N 3.11Å; F404-M408 HydrophobicContact CD2-CG 4.4Å; F404-M408 HydrophobicContact CE1-CG 4.03Å; F404-M408 HydrophobicContact CE2-CG 3.87Å; F404-M408 HydrophobicContact CE2-SD 4.03Å; F404-M408 HydrophobicContact CZ-CE 4.43Å; F404-M408 HydrophobicContact CZ-CG 3.66Å; F404-M408 HydrophobicContact CZ-SD 3.85Å; F404-M408 WeakPolarHBondContact O-CG 3.15Å; F404-M408 PolarHBondContact O-N 2.92Å
405	L	92.3	Very high	90	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-41.3	176.7	-74.5	171.4	0	0	0	112.2	L20 W169 V179 F182 I290 D401 F402 A403 M408 V409	L20-L405 HydrophobicContact CD1-CD2 4.19Å; L20-L405 HydrophobicContact CD2-CD2 3.9Å; W169-L405 HydrophobicContact CZ3-CD2 4.37Å; V179-L405 HydrophobicContact CG2-CD2 4.29Å; F182-L405 HydrophobicContact CB-CD1 4.12Å; F182-L405 HydrophobicContact CD1-CB 4.06Å; F182-L405 HydrophobicContact CD1-CD1 4.09Å; F182-L405 HydrophobicContact CD1-CD2 4.3Å; F182-L405 HydrophobicContact CD1-CG 4.39Å; F182-L405 HydrophobicContact CD2-CD1 4.46Å; F182-L405 HydrophobicContact CE1-CB 3.8Å; F182-L405 HydrophobicContact CE2-CB 4.4Å; F182-L405 HydrophobicContact CG-CB 4.48Å; F182-L405 HydrophobicContact CG-CD1 3.98Å; F182-L405 HydrophobicContact CZ-CB 3.97Å; I290-L405 HydrophobicContact CD1-CD1 3.84Å; I290-L405 HydrophobicContact CD1-CD2 4.42Å; I290-L405 HydrophobicContact CD1-CG 4.28Å; I290-L405 HydrophobicContact CG2-CD2 4.42Å; D401-L405 VanDerWaalsContact O-CG 3.3Å; D401-L405 WeakPolarHBondContact O-CG 3.41Å; D401-L405 PolarHBondContact O-N 2.93Å; F402-L405 PolarHBondContact O-N 3.02Å; A403-L405 PolarHBondContact O-N 3.28Å; L405-M408 PolarHBondContact O-N 3.42Å; L405-V409 WeakPolarHBondContact O-CG2 3.47Å; L405-V409 PolarHBondContact O-N 3.32Å
406	L	91.6	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-42.8	174.5	-76.1	166.7	0	0	0	112.5	F182 Y381 F383 V398 F402 A403 F404 M408 V409 D410	F182-L406 HydrophobicContact CE2-CD2 4.43Å; F182-L406 HydrophobicContact CZ-CD2 4.23Å; F182-L406 HydrophobicContact CZ-CG 4.44Å; Y381-L406 HydrophobicContact CD1-CB 4.41Å; Y381-L406 HydrophobicContact CD1-CD1 4.18Å; Y381-L406 HydrophobicContact CD2-CB 3.78Å; Y381-L406 HydrophobicContact CE2-CB 3.95Å; Y381-L406 HydrophobicContact CG-CB 4.05Å; Y381-L406 HydrophobicContact CG-CD1 4.4Å; F383-L406 HydrophobicContact CE2-CD1 4.26Å; F383-L406 HydrophobicContact CZ-CD1 3.75Å; V398-L406 HydrophobicContact CG2-CD1 3.75Å; F402-L406 HydrophobicContact CD1-CD1 3.8Å; F402-L406 HydrophobicContact CE1-CD1 3.51Å; F402-L406 HydrophobicContact CE1-CG 4.45Å; F402-L406 HydrophobicContact CZ-CD1 4.41Å; F402-L406 PolarHBondContact O-N 2.76Å; F402-L406 VanDerWaalsContact O-N 3.12Å; A403-L406 PolarHBondContact O-N 2.89Å; F404-L406 PolarHBondContact O-N 3.2Å; L406-M408 PolarHBondContact O-N 3Å; L406-V409 PolarHBondContact O-N 2.93Å; L406-V409 VanDerWaalsContact O-N 3.15Å; L406-D410 PolarHBondContact O-N 3.1Å
407	H	90.9	Very high	90.1	Very high	27 Å²	27	33.2 Å²	33.2	13%	0.125	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-35.3	173	-81.4	-65.3	0	0	0	112.5	L378 E380 Y381 A403 F404 Q411	L378-H407 HydrophobicContact CD2-CB 3.75Å; E380-H407 PolarHBondContact O-NE2 2.87Å; Y381-H407 AromaticContact CD2-CD2 3.84Å; Y381-H407 AromaticContact CD2-CE1 3.66Å; Y381-H407 AromaticContact CD2-CG 3.83Å; Y381-H407 AromaticContact CD2-ND1 3.77Å; Y381-H407 AromaticContact CD2-NE2 3.73Å; A403-H407 PolarHBondContact O-CD2 3.33Å; A403-H407 PolarHBondContact O-N 3.47Å; F404-H407 PolarHBondContact O-N 3.11Å; H407-Q411 WeakPolarHBondContact O-CG 3.19Å
408	M	90.4	Very high	90	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-71.3	-40.8	175.9	-69.4	-71.2	-76.8	0	0	112.3	L20 P22 W169 Y294 W372 F404 L405 L406 D410 Q411	L20-M408 HydrophobicContact CD2-CB 4.05Å; P22-M408 HydrophobicContact CG-CE 3.75Å; P22-M408 HydrophobicContact CG-SD 4.03Å; W169-M408 HydrophobicContact CZ2-CE 4.4Å; Y294-M408 HydrophobicContact CD2-CE 4.32Å; Y294-M408 HydrophobicContact CE2-CE 3.6Å; W372-M408 HydrophobicContact CH2-SD 3.81Å; W372-M408 HydrophobicContact CZ3-SD 4.11Å; F404-M408 HydrophobicContact CD2-CG 4.4Å; F404-M408 HydrophobicContact CE1-CG 4.03Å; F404-M408 HydrophobicContact CE2-CG 3.87Å; F404-M408 HydrophobicContact CE2-SD 4.03Å; F404-M408 HydrophobicContact CZ-CE 4.43Å; F404-M408 HydrophobicContact CZ-CG 3.66Å; F404-M408 HydrophobicContact CZ-SD 3.85Å; F404-M408 WeakPolarHBondContact O-CG 3.15Å; F404-M408 PolarHBondContact O-N 2.92Å; L405-M408 PolarHBondContact O-N 3.42Å; L406-M408 PolarHBondContact O-N 3Å; M408-D410 VanDerWaalsContact C-N 3.35Å; M408-Q411 PolarHBondContact O-N 3.23Å
409	V	91.9	Very high	90	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-38.2	174.7	171.7	0	0	0	0	111.7	I19 L20 F182 L186 L405 L406 Q411 Y412 D413 Y416	I19-V409 HydrophobicContact CG2-CG1 4.34Å; I19-V409 HydrophobicContact CG2-CG2 4.29Å; L20-V409 HydrophobicContact CD2-CG2 3.9Å; F182-V409 HydrophobicContact CE1-CG2 3.63Å; F182-V409 HydrophobicContact CZ-CG2 3.92Å; L186-V409 HydrophobicContact CD2-CG1 4.1Å; L186-V409 HydrophobicContact CD2-CG2 3.79Å; L405-V409 WeakPolarHBondContact O-CG2 3.47Å; L405-V409 PolarHBondContact O-N 3.32Å; L406-V409 PolarHBondContact O-N 2.93Å; L406-V409 VanDerWaalsContact O-N 3.15Å; V409-Q411 PolarHBondContact O-N 3.37Å; V409-Q411 VanDerWaalsContact O-N 3.16Å; V409-Y412 WeakPolarHBondContact O-CA 3.44Å; V409-Y412 WeakPolarHBondContact O-CB 3.46Å; V409-Y412 PolarHBondContact O-N 3.34Å; V409-D413 PolarHBondContact O-N 2.94Å; V409-Y416 VanDerWaalsContact CG1-CB 3.48Å; V409-Y416 HydrophobicContact CG1-CD2 4.49Å; V409-Y416 HydrophobicContact CG1-CG 4.13Å
410	D	90.3	Very high	90.1	Very high	37 Å²	37	29.5 Å²	29.5	20%	0.198	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.9	175.6	-91	15.4	0	0	0	113.7	Y381 L406 M408 S417	Y381-D410 VanDerWaalsContact CE2-OD2 3.26Å; Y381-D410 WeakPolarHBondContact CE2-OD2 3.36Å; Y381-D410 VanDerWaalsContact OH-CG 3.3Å; Y381-D410 PolarHBondContact OH-OD1 3.17Å; Y381-D410 PolarHBondContact OH-OD2 3.37Å; L406-D410 PolarHBondContact O-N 3.1Å; M408-D410 VanDerWaalsContact C-N 3.35Å; D410-S417 WeakPolarHBondContact OD1-CB 3.44Å; D410-S417 PolarHBondContact OD1-OG 2.92Å
411	Q	90.2	Very high	90	Very high	61 Å²	61	27.1 Å²	27.1	29%	0.285	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.7	171.1	-50.7	-54.3	-96	0	0	113	P22 W24 W372 H407 M408 V409	P22-Q411 HydrophobicContact CB-CB 3.88Å; P22-Q411 HydrophobicContact CG-CB 3.98Å; P22-Q411 HydrophobicContact CG-CG 4.46Å; W24-Q411 HydrophobicContact CH2-CB 4.38Å; W24-Q411 HydrophobicContact CH2-CG 3.79Å; W24-Q411 HydrophobicContact CZ3-CG 4.41Å; W372-Q411 HydrophobicContact CZ2-CG 3.85Å; H407-Q411 WeakPolarHBondContact O-CG 3.19Å; M408-Q411 PolarHBondContact O-N 3.23Å; V409-Q411 PolarHBondContact O-N 3.37Å; V409-Q411 VanDerWaalsContact O-N 3.16Å
412	Y	89.9	Confident	89.9	Confident	121 Å²	121	27.1 Å²	27.1	48%	0.475	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-60.3	174.2	-177.5	-87.6	0	0	0	110.6	I19 V409 Y416	I19-Y412 HydrophobicContact CG1-CE1 4.46Å; I19-Y412 HydrophobicContact CG2-CD1 4.05Å; I19-Y412 HydrophobicContact CG2-CE1 4.48Å; I19-Y412 HydrophobicContact CG2-CG 4.44Å; I19-Y412 WeakPolarHBondContact O-CB 3.4Å; V409-Y412 WeakPolarHBondContact O-CA 3.44Å; V409-Y412 WeakPolarHBondContact O-CB 3.46Å; V409-Y412 PolarHBondContact O-N 3.34Å; Y412-Y416 HydrophobicContact CD1-CE2 4.26Å; Y412-Y416 HydrophobicContact CE1-CE2 4.17Å
413	D	89.4	Confident	89.8	Confident	66 Å²	66	27.3 Å²	27.3	35%	0.353	13%	0.126	S	C	.	.			trans	-160.7	125.2	175.2	177.2	11.1	0	0	0	111.8	V409 L415 Y416	V409-D413 PolarHBondContact O-N 2.94Å; D413-L415 PolarHBondContact O-N 3.44Å; D413-L415 WeakPolarHBondContact OD1-CB 3.37Å; D413-L415 PolarHBondContact OD1-N 3.42Å; D413-Y416 HydrophobicContact CB-CD2 3.98Å; D413-Y416 HydrophobicContact CB-CE2 4.28Å; D413-Y416 PolarHBondContact O-N 2.93Å
414	L	86.4	Confident	89.6	Confident	63 Å²	63	28.2 Å²	28.2	33%	0.33	13%	0.131	S	C	.	.	H	α-helix	trans	-66.6	-18.3	179.2	-169.6	70.1	0	0	0	113.3	Y416 S417 K418	L414-Y416 PolarHBondContact O-N 3.4Å; L414-S417 PolarHBondContact O-N 3.4Å; L414-S417 PolarHBondContact O-OG 3.09Å; L414-S417 VanDerWaalsContact O-OG 3.06Å; L414-K418 WeakPolarHBondContact O-CG 3.24Å; L414-K418 PolarHBondContact O-N 3.3Å; L414-K418 VanDerWaalsContact O-N 3.16Å
415	L	87.4	Confident	89.5	Confident	69 Å²	69	28.2 Å²	28.2	36%	0.361	13%	0.131	S	C	.	.	H	α-helix	trans	-64.1	-28.5	177.6	-174	59.3	0	0	0	112.3	F190 D413 R419	F190-L415 HydrophobicContact CE2-CD2 3.87Å; F190-L415 HydrophobicContact CE2-CG 4.01Å; F190-L415 HydrophobicContact CZ-CD2 4.21Å; D413-L415 PolarHBondContact O-N 3.44Å; D413-L415 WeakPolarHBondContact OD1-CB 3.37Å; D413-L415 PolarHBondContact OD1-N 3.42Å; L415-R419 HydrophobicContact CD1-CG 4.43Å; L415-R419 PolarHBondContact O-N 2.78Å
416	Y	89.6	Confident	89.3	Confident	34 Å²	34	35 Å²	35	13%	0.133	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-49	177	-79.5	-81.4	0	0	0	112.4	I19 L186 F190 V409 Y412 D413 L414 R419 F420	I19-Y416 HydrophobicContact CD1-CE1 4.27Å; I19-Y416 HydrophobicContact CG2-CD2 4.48Å; I19-Y416 HydrophobicContact CG2-CE2 4.38Å; L186-Y416 HydrophobicContact CD1-CD1 4.11Å; L186-Y416 HydrophobicContact CD2-CD1 4.08Å; L186-Y416 HydrophobicContact CG-CD1 3.79Å; L186-Y416 HydrophobicContact CG-CE1 4.49Å; F190-Y416 HydrophobicContact CB-CD1 4.09Å; F190-Y416 HydrophobicContact CB-CE1 3.84Å; F190-Y416 HydrophobicContact CD1-CE1 4.48Å; F190-Y416 AromaticContact CD2-CD1 3.62Å; F190-Y416 HydrophobicContact CD2-CD1 3.62Å; F190-Y416 AromaticContact CD2-CE1 3.5Å; F190-Y416 HydrophobicContact CD2-CE1 3.5Å; F190-Y416 HydrophobicContact CD2-CE2 4.42Å; F190-Y416 HydrophobicContact CD2-CG 4.17Å; F190-Y416 AromaticContact CD2-CZ 3.93Å; F190-Y416 HydrophobicContact CE2-CD1 4.41Å; F190-Y416 HydrophobicContact CE2-CE1 4.17Å; F190-Y416 HydrophobicContact CE2-CE2 4.34Å; F190-Y416 HydrophobicContact CG-CD1 4.11Å; F190-Y416 AromaticContact CG-CE1 3.69Å; F190-Y416 HydrophobicContact CG-CE1 3.69Å; V409-Y416 VanDerWaalsContact CG1-CB 3.48Å; V409-Y416 HydrophobicContact CG1-CD2 4.49Å; V409-Y416 HydrophobicContact CG1-CG 4.13Å; Y412-Y416 HydrophobicContact CD1-CE2 4.26Å; Y412-Y416 HydrophobicContact CE1-CE2 4.17Å; D413-Y416 HydrophobicContact CB-CD2 3.98Å; D413-Y416 HydrophobicContact CB-CE2 4.28Å; D413-Y416 PolarHBondContact O-N 2.93Å; L414-Y416 PolarHBondContact O-N 3.4Å; Y416-R419 PolarHBondContact O-N 2.88Å; Y416-F420 WeakPolarHBondContact O-CB 3.34Å; Y416-F420 PolarHBondContact O-N 2.93Å
417	S	87.8	Confident	89	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-36.1	178.1	49	0	0	0	0	111.9	Y381 D410 L414 F420 G421	Y381-S417 WeakPolarHBondContact OH-CB 3.23Å; D410-S417 WeakPolarHBondContact OD1-CB 3.44Å; D410-S417 PolarHBondContact OD1-OG 2.92Å; L414-S417 PolarHBondContact O-N 3.4Å; L414-S417 PolarHBondContact O-OG 3.09Å; L414-S417 VanDerWaalsContact O-OG 3.06Å; S417-F420 PolarHBondContact O-N 2.89Å; S417-G421 PolarHBondContact O-N 2.88Å
418	K	86.3	Confident	88.8	Confident	44 Å²	44	37.2 Å²	37.2	19%	0.191	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-52.6	170.8	-73.1	-177.9	177.1	-170.9	0	112.6	V386 E389 L414 F420 G421	V386-K418 HydrophobicContact CG2-CG 4.13Å; E389-K418 WeakPolarHBondContact OE1-CE 3.36Å; E389-K418 IonicContact OE1-NZ 2.65Å; E389-K418 PolarHBondContact OE1-NZ 2.96Å; E389-K418 IonicContact OE2-NZ 3.61Å; E389-K418 PolarHBondContact OE2-NZ 2.83Å; L414-K418 WeakPolarHBondContact O-CG 3.24Å; L414-K418 PolarHBondContact O-N 3.3Å; L414-K418 VanDerWaalsContact O-N 3.16Å; K418-F420 VanDerWaalsContact C-N 3.32Å; K418-F420 PolarHBondContact O-N 3.41Å; K418-G421 PolarHBondContact O-N 2.91Å
419	R	89.1	Confident	88.8	Confident	47 Å²	47	38.1 Å²	38.1	18%	0.177	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-32.7	177.1	-74.2	-173.7	176.8	-145.7	-11.3	113	F190 T195 T196 L199 L415 Y416	F190-R419 PolarHBondContact O-NH1 2.84Å; T195-R419 HydrophobicContact CG2-CB 4.29Å; T196-R419 PolarHBondContact OG1-NH2 3.3Å; L199-R419 HydrophobicContact CD1-CG 4.26Å; L415-R419 HydrophobicContact CD1-CG 4.43Å; L415-R419 PolarHBondContact O-N 2.78Å; Y416-R419 PolarHBondContact O-N 2.88Å
420	F	90.9	Very high	88.5	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71	-39.2	177.3	-168.9	-80.2	0	0	0	112.4	I185 L186 C189 V277 F402 Y416 S417 K418 V422 F423 L424	I185-F420 HydrophobicContact CG2-CE2 3.88Å; L186-F420 HydrophobicContact CD1-CB 4.2Å; L186-F420 HydrophobicContact CD1-CD2 3.72Å; L186-F420 HydrophobicContact CD1-CG 4.3Å; C189-F420 HydrophobicContact CB-CD2 4.25Å; V277-F420 HydrophobicContact CG1-CE1 4.14Å; V277-F420 HydrophobicContact CG1-CZ 3.86Å; V277-F420 HydrophobicContact CG2-CE2 4.29Å; V277-F420 HydrophobicContact CG2-CZ 4.19Å; F402-F420 HydrophobicContact CE1-CE1 4.24Å; F402-F420 HydrophobicContact CE2-CZ 4.28Å; F402-F420 AromaticContact CZ-CE1 3.6Å; F402-F420 HydrophobicContact CZ-CE1 3.6Å; F402-F420 AromaticContact CZ-CZ 3.66Å; F402-F420 HydrophobicContact CZ-CZ 3.66Å; Y416-F420 WeakPolarHBondContact O-CB 3.34Å; Y416-F420 PolarHBondContact O-N 2.93Å; S417-F420 PolarHBondContact O-N 2.89Å; K418-F420 VanDerWaalsContact C-N 3.32Å; K418-F420 PolarHBondContact O-N 3.41Å; F420-V422 PolarHBondContact O-N 3.5Å; F420-F423 PolarHBondContact O-N 3.11Å; F420-L424 HydrophobicContact CD1-CD1 4.04Å; F420-L424 HydrophobicContact CD1-CG 4.19Å; F420-L424 HydrophobicContact CE1-CD1 3.88Å; F420-L424 HydrophobicContact CE1-CD2 4.06Å; F420-L424 HydrophobicContact CE1-CG 3.87Å
421	G	87.6	Confident	88.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-34.7	179.4	0	0	0	0	0	113.5	S417 K418 F423 L424 S425	S417-G421 PolarHBondContact O-N 2.88Å; K418-G421 PolarHBondContact O-N 2.91Å; G421-F423 PolarHBondContact O-N 3.15Å; G421-L424 WeakPolarHBondContact O-CB 3.34Å; G421-L424 PolarHBondContact O-N 2.96Å; G421-S425 PolarHBondContact O-N 3.41Å
422	V	88.6	Confident	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-36.9	173.6	-177.1	0	0	0	0	111.9	A198 L199 F420 L424 S425 S428	A198-V422 HydrophobicContact CB-CG1 3.91Å; L199-V422 HydrophobicContact CD1-CG2 4.36Å; L199-V422 HydrophobicContact CD2-CG2 3.8Å; L199-V422 HydrophobicContact CG-CG2 3.96Å; F420-V422 PolarHBondContact O-N 3.5Å; V422-L424 PolarHBondContact O-N 2.96Å; V422-S425 PolarHBondContact O-N 3.35Å; V422-S428 VanDerWaalsContact CG1-OG 3.27Å; V422-S428 WeakPolarHBondContact CG1-OG 3.45Å; V422-S428 WeakPolarHBondContact O-CB 3.43Å
423	F	89.8	Confident	88	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.018	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.8	176.6	-75.3	-68.4	0	0	0	114.6	C189 W194 T195 A270 L273 F274 V277 F420 G421	C189-F423 HydrophobicContact CB-CD2 3.76Å; C189-F423 HydrophobicContact CB-CE2 3.91Å; C189-F423 VanDerWaalsContact SG-CD2 3.52Å; W194-F423 AromaticContact CD1-CE1 3.91Å; T195-F423 HydrophobicContact CG2-CD2 3.84Å; T195-F423 HydrophobicContact CG2-CE2 3.22Å; T195-F423 HydrophobicContact CG2-CZ 3.95Å; A270-F423 HydrophobicContact CB-CE1 4.2Å; L273-F423 HydrophobicContact CB-CE1 4.24Å; L273-F423 HydrophobicContact CD2-CD2 4.47Å; L273-F423 HydrophobicContact CD2-CE1 4.12Å; L273-F423 HydrophobicContact CD2-CE2 3.86Å; L273-F423 HydrophobicContact CD2-CZ 3.69Å; L273-F423 HydrophobicContact CG-CD1 4.49Å; L273-F423 HydrophobicContact CG-CE1 4.28Å; L273-F423 HydrophobicContact CG-CZ 4.33Å; F274-F423 HydrophobicContact CD1-CD1 4.06Å; F274-F423 WeakPolarHBondContact CD1-O 3.22Å; F274-F423 AromaticContact CD2-CD1 3.67Å; F274-F423 HydrophobicContact CD2-CD1 3.67Å; F274-F423 AromaticContact CD2-CE1 3.88Å; F274-F423 HydrophobicContact CD2-CE1 3.88Å; F274-F423 HydrophobicContact CE1-CB 4.46Å; F274-F423 HydrophobicContact CE1-CD1 4.02Å; F274-F423 AromaticContact CE2-CD1 3.61Å; F274-F423 HydrophobicContact CE2-CD1 3.61Å; F274-F423 AromaticContact CE2-CE1 3.75Å; F274-F423 HydrophobicContact CE2-CE1 3.75Å; F274-F423 AromaticContact CG-CD1 3.89Å; F274-F423 HydrophobicContact CG-CD1 3.89Å; F274-F423 AromaticContact CZ-CD1 3.79Å; F274-F423 HydrophobicContact CZ-CD1 3.79Å; F274-F423 HydrophobicContact CZ-CE1 4.3Å; V277-F423 HydrophobicContact CG1-CB 4.48Å; V277-F423 HydrophobicContact CG2-CB 4.14Å; F420-F423 PolarHBondContact O-N 3.11Å; G421-F423 PolarHBondContact O-N 3.15Å
424	L	89.3	Confident	87.7	Confident	19 Å²	19	37.9 Å²	37.9	10%	0.099	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-8.8	170.4	-65.1	173.9	0	0	0	113.1	V277 F383 I395 P396 V398 F420 G421 V422	V277-L424 HydrophobicContact CG1-CD2 3.6Å; V277-L424 HydrophobicContact CG1-CG 4.37Å; F383-L424 HydrophobicContact CD2-CD1 4.36Å; F383-L424 HydrophobicContact CE1-CD1 4.46Å; F383-L424 HydrophobicContact CE2-CD1 3.52Å; F383-L424 HydrophobicContact CZ-CD1 3.58Å; I395-L424 HydrophobicContact CG2-CB 4.29Å; P396-L424 WeakPolarHBondContact CD-O 3.44Å; P396-L424 HydrophobicContact CG-CB 4.23Å; V398-L424 HydrophobicContact CG1-CD1 4.27Å; F420-L424 HydrophobicContact CD1-CD1 4.04Å; F420-L424 HydrophobicContact CD1-CG 4.19Å; F420-L424 HydrophobicContact CE1-CD1 3.88Å; F420-L424 HydrophobicContact CE1-CD2 4.06Å; F420-L424 HydrophobicContact CE1-CG 3.87Å; G421-L424 WeakPolarHBondContact O-CB 3.34Å; G421-L424 PolarHBondContact O-N 2.96Å; V422-L424 PolarHBondContact O-N 2.96Å
425	S	89.8	Confident	87.7	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.007	18%	0.175	C	C	.	.			trans	-83.5	126.6	178.3	169.9	0	0	0	0	111.3	F274 F392 D394 G421 V422 V427 S428 E429	F274-S425 WeakPolarHBondContact CE1-O 3.32Å; F392-S425 WeakPolarHBondContact CD1-OG 3.42Å; D394-S425 WeakPolarHBondContact OD1-CB 3.31Å; D394-S425 PolarHBondContact OD1-OG 3.41Å; D394-S425 WeakPolarHBondContact OD2-CA 3.16Å; D394-S425 PolarHBondContact OD2-OG 3.4Å; G421-S425 PolarHBondContact O-N 3.41Å; V422-S425 PolarHBondContact O-N 3.35Å; S425-V427 PolarHBondContact OG-N 3.45Å; S425-S428 PolarHBondContact O-N 3.07Å; S425-S428 PolarHBondContact OG-N 3.21Å; S425-E429 PolarHBondContact O-N 3.36Å; S425-E429 VanDerWaalsContact O-N 3.15Å
426	E	87.2	Confident	87.6	Confident	143 Å²	143	35 Å²	35	67%	0.668	17%	0.165	S	C	*	.	H	α-helix	trans	-73.1	-32.4	172.1	-62.1	-169.7	162.8	0	0	110.7	D394 S428 E429 N430	D394-E426 PolarHBondContact OD2-N 3.21Å; E426-S428 VanDerWaalsContact C-N 3.33Å; E426-S428 PolarHBondContact O-N 2.93Å; E426-E429 PolarHBondContact O-N 3.5Å; E426-N430 PolarHBondContact O-N 2.71Å
427	V	86.2	Confident	87.6	Confident	73 Å²	73	33.9 Å²	33.9	44%	0.442	16%	0.162	S	C	.	.	H	α-helix	trans	-63.1	-39.7	172.5	176.9	0	0	0	0	111	F392 D394 S425 N430 K431	F392-V427 HydrophobicContact CD1-CB 4.32Å; F392-V427 HydrophobicContact CD1-CG1 4.25Å; F392-V427 HydrophobicContact CE1-CG1 4.28Å; D394-V427 HydrophobicContact CB-CG2 4.18Å; D394-V427 PolarHBondContact OD2-N 3.33Å; S425-V427 PolarHBondContact OG-N 3.45Å; V427-N430 PolarHBondContact O-N 3.2Å; V427-K431 PolarHBondContact O-N 2.6Å
428	S	87.8	Confident	87.6	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-40.8	172.7	-166.7	0	0	0	0	112.1	W194 V422 S425 E426 N430 K431 L432	W194-S428 WeakPolarHBondContact CZ2-O 3.47Å; W194-S428 PolarHBondContact NE1-OG 2.68Å; V422-S428 VanDerWaalsContact CG1-OG 3.27Å; V422-S428 WeakPolarHBondContact CG1-OG 3.45Å; V422-S428 WeakPolarHBondContact O-CB 3.43Å; S425-S428 PolarHBondContact O-N 3.07Å; S425-S428 PolarHBondContact OG-N 3.21Å; E426-S428 VanDerWaalsContact C-N 3.33Å; E426-S428 PolarHBondContact O-N 2.93Å; S428-N430 VanDerWaalsContact C-N 3.3Å; S428-N430 PolarHBondContact O-N 3.08Å; S428-K431 PolarHBondContact O-N 3.14Å; S428-L432 WeakPolarHBondContact O-CB 3.39Å; S428-L432 PolarHBondContact O-N 3.23Å
429	E	88.6	Confident	87.5	Confident	19 Å²	19	38.1 Å²	38.1	9%	0.089	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-37.7	175.1	-161.9	-177.3	150.7	0	0	111.6	F274 R278 S425 E426 L432 R433	F274-E429 HydrophobicContact CB-CG 4.29Å; F274-E429 HydrophobicContact CD1-CB 3.87Å; F274-E429 HydrophobicContact CD1-CG 3.98Å; F274-E429 HydrophobicContact CD2-CG 4.12Å; F274-E429 HydrophobicContact CE1-CB 3.75Å; F274-E429 HydrophobicContact CE1-CG 4.3Å; F274-E429 HydrophobicContact CE2-CB 4.43Å; F274-E429 HydrophobicContact CE2-CG 4.45Å; F274-E429 HydrophobicContact CG-CB 4.27Å; F274-E429 HydrophobicContact CG-CG 3.89Å; F274-E429 HydrophobicContact CZ-CB 4.06Å; R278-E429 IonicContact CZ-OE2 2.67Å; R278-E429 VanDerWaalsContact NH2-CD 3.29Å; R278-E429 IonicContact NH2-OE1 3.84Å; R278-E429 PolarHBondContact NH2-OE1 2.94Å; R278-E429 VanDerWaalsContact NH2-OE1 3.15Å; R278-E429 IonicContact NH2-OE2 3.3Å; R278-E429 PolarHBondContact NH2-OE2 2.96Å; S425-E429 PolarHBondContact O-N 3.36Å; S425-E429 VanDerWaalsContact O-N 3.15Å; E426-E429 PolarHBondContact O-N 3.5Å; E429-L432 PolarHBondContact O-N 3.2Å; E429-R433 WeakPolarHBondContact O-CD 3.46Å; E429-R433 WeakPolarHBondContact O-CG 3.48Å; E429-R433 PolarHBondContact O-N 2.98Å; E429-R433 IonicContact OE1-CZ 2.77Å; E429-R433 IonicContact OE1-NE 2.33Å; E429-R433 PolarHBondContact OE1-NE 3.33Å; E429-R433 IonicContact OE1-NH2 3.91Å; E429-R433 PolarHBondContact OE1-NH2 2.91Å
430	N	85.8	Confident	87.4	Confident	40 Å²	40	39.6 Å²	39.6	21%	0.214	19%	0.192	C	C	.	.	H	α-helix	trans	-70.7	-44	176.1	-81.7	-3	0	0	0	113.1	E426 V427 S428 L432 R433 E434 E488	E426-N430 PolarHBondContact O-N 2.71Å; V427-N430 PolarHBondContact O-N 3.2Å; S428-N430 VanDerWaalsContact C-N 3.3Å; S428-N430 PolarHBondContact O-N 3.08Å; N430-L432 PolarHBondContact O-N 3.44Å; N430-R433 PolarHBondContact O-N 3.37Å; N430-R433 VanDerWaalsContact O-N 3.09Å; N430-R433 WeakPolarHBondContact OD1-CD 3.21Å; N430-R433 PolarHBondContact OD1-NH1 2.82Å; N430-E434 PolarHBondContact O-N 2.84Å; N430-E488 PolarHBondContact ND2-OE1 3.24Å; N430-E488 PolarHBondContact ND2-OE2 2.92Å
431	K	85.1	Confident	87.4	Confident	51 Å²	51	41.4 Å²	41.4	22%	0.222	20%	0.199	C	C	.	.	H	α-helix	trans	-54.7	-40.5	169.4	-81.9	-170.8	169.4	-174	0	111.4	W194 E205 V427 S428 I435	W194-K431 HydrophobicContact CH2-CB 4.24Å; W194-K431 HydrophobicContact CZ2-CB 4.42Å; E205-K431 IonicContact OE1-NZ 3.86Å; E205-K431 PolarHBondContact OE1-NZ 3.24Å; E205-K431 IonicContact OE2-NZ 2.74Å; V427-K431 PolarHBondContact O-N 2.6Å; S428-K431 PolarHBondContact O-N 3.14Å; K431-I435 WeakPolarHBondContact O-CG1 3.06Å; K431-I435 PolarHBondContact O-N 3.43Å; K431-I435 VanDerWaalsContact O-N 3.11Å
432	L	88.3	Confident	87.5	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-42.5	175.3	177.7	62.2	0	0	0	112.6	W194 L262 A270 K271 F274 S428 E429 N430 E434 I435 S436	W194-L432 HydrophobicContact CD2-CB 4.47Å; W194-L432 HydrophobicContact CD2-CD1 4.03Å; W194-L432 HydrophobicContact CE3-CD1 3.89Å; W194-L432 HydrophobicContact CH2-CB 3.95Å; W194-L432 HydrophobicContact CH2-CD1 4.42Å; W194-L432 HydrophobicContact CZ2-CB 3.65Å; W194-L432 HydrophobicContact CZ3-CB 4.47Å; W194-L432 HydrophobicContact CZ3-CD1 4.09Å; L262-L432 HydrophobicContact CD2-CD1 3.81Å; A270-L432 HydrophobicContact CB-CD1 4.45Å; A270-L432 HydrophobicContact CB-CD2 3.61Å; K271-L432 HydrophobicContact CB-CD2 4.37Å; F274-L432 HydrophobicContact CD2-CD2 3.85Å; F274-L432 HydrophobicContact CE2-CD2 3.65Å; S428-L432 WeakPolarHBondContact O-CB 3.39Å; S428-L432 PolarHBondContact O-N 3.23Å; E429-L432 PolarHBondContact O-N 3.2Å; N430-L432 PolarHBondContact O-N 3.44Å; L432-E434 VanDerWaalsContact C-N 3.34Å; L432-I435 PolarHBondContact O-N 2.85Å; L432-S436 VanDerWaalsContact O-CB 3.26Å; L432-S436 WeakPolarHBondContact O-CB 3.34Å; L432-S436 PolarHBondContact O-N 3.18Å
433	R	86.6	Confident	87.6	Confident	92 Å²	92	47.7 Å²	47.7	35%	0.347	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-40.7	177.3	-71.8	160.7	-178.9	-173.2	-0.9	111.5	E429 N430 S436 L437	E429-R433 WeakPolarHBondContact O-CD 3.46Å; E429-R433 WeakPolarHBondContact O-CG 3.48Å; E429-R433 PolarHBondContact O-N 2.98Å; E429-R433 IonicContact OE1-CZ 2.77Å; E429-R433 IonicContact OE1-NE 2.33Å; E429-R433 PolarHBondContact OE1-NE 3.33Å; E429-R433 IonicContact OE1-NH2 3.91Å; E429-R433 PolarHBondContact OE1-NH2 2.91Å; N430-R433 PolarHBondContact O-N 3.37Å; N430-R433 VanDerWaalsContact O-N 3.09Å; N430-R433 WeakPolarHBondContact OD1-CD 3.21Å; N430-R433 PolarHBondContact OD1-NH1 2.82Å; R433-S436 PolarHBondContact O-N 3.13Å; R433-L437 VanDerWaalsContact O-CB 3.29Å; R433-L437 WeakPolarHBondContact O-CB 3.41Å; R433-L437 PolarHBondContact O-N 3.13Å
434	E	84.6	Confident	87.7	Confident	91 Å²	91	52.9 Å²	52.9	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-51.2	176.2	-175.6	178.7	179.6	0	0	111.8	N430 L432 S436 L437 N438	N430-E434 PolarHBondContact O-N 2.84Å; L432-E434 VanDerWaalsContact C-N 3.34Å; E434-S436 VanDerWaalsContact C-N 3.31Å; E434-S436 PolarHBondContact O-N 3.47Å; E434-L437 WeakPolarHBondContact O-CB 3.47Å; E434-L437 PolarHBondContact O-N 2.87Å; E434-L437 VanDerWaalsContact O-N 3.15Å; E434-N438 PolarHBondContact O-N 2.77Å; E434-N438 PolarHBondContact O-ND2 2.87Å
435	I	84.8	Confident	87.8	Confident	50 Å²	50	55.1 Å²	55.1	26%	0.256	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-41.4	176.8	-67.6	168.4	0	0	0	111.1	W194 K431 L432 N438 H439	W194-I435 HydrophobicContact CH2-CD1 3.95Å; W194-I435 HydrophobicContact CZ3-CD1 3.81Å; K431-I435 WeakPolarHBondContact O-CG1 3.06Å; K431-I435 PolarHBondContact O-N 3.43Å; K431-I435 VanDerWaalsContact O-N 3.11Å; L432-I435 PolarHBondContact O-N 2.85Å; I435-N438 PolarHBondContact O-N 3.04Å; I435-H439 PolarHBondContact O-N 2.7Å; I435-H439 VanDerWaalsContact O-N 3.07Å
436	S	86.9	Confident	88	Confident	22 Å²	22	55 Å²	55	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-39.1	175.5	-172.8	0	0	0	0	112.4	L432 R433 E434 H439 E440	L432-S436 VanDerWaalsContact O-CB 3.26Å; L432-S436 WeakPolarHBondContact O-CB 3.34Å; L432-S436 PolarHBondContact O-N 3.18Å; R433-S436 PolarHBondContact O-N 3.13Å; E434-S436 VanDerWaalsContact C-N 3.31Å; E434-S436 PolarHBondContact O-N 3.47Å; S436-H439 PolarHBondContact O-N 3.34Å; S436-E440 WeakPolarHBondContact O-CG 3.09Å; S436-E440 PolarHBondContact O-N 2.98Å
437	L	88.4	Confident	88.2	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-46.2	177.6	-175.4	75.5	0	0	0	110.8	R433 E434 H439 E440 W441 L465 G467 P469	R433-L437 VanDerWaalsContact O-CB 3.29Å; R433-L437 WeakPolarHBondContact O-CB 3.41Å; R433-L437 PolarHBondContact O-N 3.13Å; E434-L437 WeakPolarHBondContact O-CB 3.47Å; E434-L437 PolarHBondContact O-N 2.87Å; E434-L437 VanDerWaalsContact O-N 3.15Å; L437-H439 VanDerWaalsContact C-N 3.27Å; L437-H439 PolarHBondContact O-N 3.31Å; L437-E440 PolarHBondContact O-N 3.08Å; L437-E440 VanDerWaalsContact O-N 3.13Å; L437-W441 PolarHBondContact O-N 2.96Å; L437-L465 HydrophobicContact CD1-CB 4.23Å; L437-L465 HydrophobicContact CD1-CD1 4.41Å; L437-L465 HydrophobicContact CD1-CD2 4.24Å; L437-G467 WeakPolarHBondContact CD2-O 3.45Å; L437-P469 HydrophobicContact CD1-CG 4.45Å; L437-P469 HydrophobicContact CD2-CB 4.41Å; L437-P469 HydrophobicContact CD2-CG 3.96Å; L437-P469 HydrophobicContact CG-CB 4.36Å; L437-P469 HydrophobicContact CG-CG 3.99Å
438	N	87.2	Confident	88.4	Confident	43 Å²	43	59.6 Å²	59.6	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-33.1	178.2	-70.1	-21.1	0	0	0	112.3	E434 I435 P469 D470	E434-N438 PolarHBondContact O-N 2.77Å; E434-N438 PolarHBondContact O-ND2 2.87Å; I435-N438 PolarHBondContact O-N 3.04Å; N438-P469 WeakPolarHBondContact OD1-CA 3.37Å; N438-D470 PolarHBondContact OD1-N 2.96Å
439	H	85.9	Confident	88.6	Confident	90 Å²	90	64.1 Å²	64.1	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-77.6	-29.4	173.8	-168.8	51.7	0	0	0	113.5	I435 S436 L437	I435-H439 PolarHBondContact O-N 2.7Å; I435-H439 VanDerWaalsContact O-N 3.07Å; S436-H439 PolarHBondContact O-N 3.34Å; L437-H439 VanDerWaalsContact C-N 3.27Å; L437-H439 PolarHBondContact O-N 3.31Å
440	E	86.5	Confident	88.8	Confident	78 Å²	78	65.1 Å²	65.1	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-80.1	-18.1	175.2	-76.7	-166.8	164.6	0	0	114.5	K264 S436 L437 K445	K264-E440 WeakPolarHBondContact CE-OE1 3.47Å; K264-E440 IonicContact NZ-OE1 2.69Å; K264-E440 PolarHBondContact NZ-OE1 3.13Å; S436-E440 WeakPolarHBondContact O-CG 3.09Å; S436-E440 PolarHBondContact O-N 2.98Å; L437-E440 PolarHBondContact O-N 3.08Å; L437-E440 VanDerWaalsContact O-N 3.13Å; E440-K445 VanDerWaalsContact O-CD 3.23Å; E440-K445 WeakPolarHBondContact O-CD 3.36Å; E440-K445 PolarHBondContact O-NZ 3.36Å
441	W	89.9	Confident	89.1	Confident	38 Å²	38	66.8 Å²	66.8	14%	0.144	31%	0.313	C	S	.	.	S	Bend	trans	-123.6	70.8	-175.9	-70.9	94.1	0	0	0	111.7	L437 K445 L446 H449 L465 P469	L437-W441 PolarHBondContact O-N 2.96Å; W441-K445 HydrophobicContact CD2-CD 4.38Å; W441-K445 HydrophobicContact CE3-CD 3.99Å; W441-K445 HydrophobicContact CE3-CG 4.16Å; W441-K445 HydrophobicContact CZ3-CD 4.31Å; W441-K445 HydrophobicContact CZ3-CG 4.3Å; W441-L446 HydrophobicContact CB-CD2 4.45Å; W441-L446 HydrophobicContact CB-CG 4.47Å; W441-L446 HydrophobicContact CD2-CD2 4.39Å; W441-L446 HydrophobicContact CE3-CD2 3.59Å; W441-L446 HydrophobicContact CE3-CG 4.22Å; W441-L446 HydrophobicContact CZ3-CD2 4.25Å; W441-H449 AromaticContact CZ3-CD2 3.82Å; W441-L465 HydrophobicContact CZ2-CD2 3.85Å; W441-P469 HydrophobicContact CB-CB 3.78Å; W441-P469 HydrophobicContact CB-CG 3.83Å; W441-P469 HydrophobicContact CG-CB 4.45Å; W441-P469 HydrophobicContact CG-CG 3.97Å
442	T	91.1	Very high	89.4	Confident	61 Å²	61	72 Å²	72	37%	0.374	33%	0.331	S	S	.	.			trans	-68.9	161.3	172.4	80.9	0	0	0	0	112	E444 K445 L446	T442-E444 VanDerWaalsContact C-N 3.3Å; T442-E444 WeakPolarHBondContact CB-OE2 3.46Å; T442-E444 PolarHBondContact O-N 3.1Å; T442-E444 PolarHBondContact OG1-OE2 2.93Å; T442-K445 PolarHBondContact O-N 3.4Å; T442-K445 VanDerWaalsContact O-N 3.13Å; T442-L446 PolarHBondContact O-N 2.77Å
443	F	90.3	Very high	89.5	Confident	71 Å²	71	72.8 Å²	72.8	31%	0.311	34%	0.335	S	S	.	.	H	α-helix	trans	-50.1	-44.9	176.7	179.5	-98.2	0	0	0	113.1	K445 L446 R447 D474 L475	F443-K445 PolarHBondContact O-N 3.44Å; F443-L446 PolarHBondContact O-N 2.9Å; F443-R447 VanDerWaalsContact O-CB 3.31Å; F443-R447 WeakPolarHBondContact O-CB 3.29Å; F443-R447 PolarHBondContact O-N 3.03Å; F443-D474 HydrophobicContact CD2-CB 4.13Å; F443-D474 HydrophobicContact CE2-CB 4.43Å; F443-L475 HydrophobicContact CD2-CD2 3.93Å; F443-L475 HydrophobicContact CE2-CD2 3.63Å; F443-L475 HydrophobicContact CE2-CG 4.41Å; F443-L475 HydrophobicContact CZ-CD2 4.33Å
444	E	91.3	Very high	89.5	Confident	113 Å²	113	74.8 Å²	74.8	53%	0.528	36%	0.36	S	S	.	.	H	α-helix	trans	-64	-40.2	-179.4	-60.5	66.5	-143.2	0	0	112	T442 R447 Q448	T442-E444 VanDerWaalsContact C-N 3.3Å; T442-E444 WeakPolarHBondContact CB-OE2 3.46Å; T442-E444 PolarHBondContact O-N 3.1Å; T442-E444 PolarHBondContact OG1-OE2 2.93Å; E444-R447 PolarHBondContact O-N 3.2Å; E444-Q448 WeakPolarHBondContact O-CG 3.29Å; E444-Q448 PolarHBondContact O-N 2.95Å
445	K	92	Very high	89.6	Confident	65 Å²	65	76.7 Å²	76.7	28%	0.283	37%	0.369	S	S	.	.	H	α-helix	trans	-69.9	-44.4	178.4	-179.6	-177.6	164.1	-165.9	0	110.6	E440 W441 T442 F443 R447 Q448 H449	E440-K445 VanDerWaalsContact O-CD 3.23Å; E440-K445 WeakPolarHBondContact O-CD 3.36Å; E440-K445 PolarHBondContact O-NZ 3.36Å; W441-K445 HydrophobicContact CD2-CD 4.38Å; W441-K445 HydrophobicContact CE3-CD 3.99Å; W441-K445 HydrophobicContact CE3-CG 4.16Å; W441-K445 HydrophobicContact CZ3-CD 4.31Å; W441-K445 HydrophobicContact CZ3-CG 4.3Å; T442-K445 PolarHBondContact O-N 3.4Å; T442-K445 VanDerWaalsContact O-N 3.13Å; F443-K445 PolarHBondContact O-N 3.44Å; K445-R447 VanDerWaalsContact C-N 3.27Å; K445-R447 PolarHBondContact O-N 3.37Å; K445-Q448 WeakPolarHBondContact O-CB 3.48Å; K445-Q448 PolarHBondContact O-N 2.94Å; K445-Q448 VanDerWaalsContact O-N 3.16Å; K445-H449 PolarHBondContact O-CD2 2.93Å; K445-H449 PolarHBondContact O-N 3.27Å
446	L	92.8	Very high	89.8	Confident	0 Å²	0	79 Å²	79	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-60.1	-39.5	173.8	-69.1	166.9	0	0	0	111.3	W441 T442 F443 Q448 H449 L450 L460 L462 A471 V472 L475	W441-L446 HydrophobicContact CB-CD2 4.45Å; W441-L446 HydrophobicContact CB-CG 4.47Å; W441-L446 HydrophobicContact CD2-CD2 4.39Å; W441-L446 HydrophobicContact CE3-CD2 3.59Å; W441-L446 HydrophobicContact CE3-CG 4.22Å; W441-L446 HydrophobicContact CZ3-CD2 4.25Å; T442-L446 PolarHBondContact O-N 2.77Å; F443-L446 PolarHBondContact O-N 2.9Å; L446-Q448 PolarHBondContact O-N 2.96Å; L446-H449 PolarHBondContact O-N 2.85Å; L446-L450 PolarHBondContact O-N 3Å; L446-L460 HydrophobicContact CD2-CD2 4.44Å; L446-L462 HydrophobicContact CD2-CD2 4.03Å; L446-A471 VanDerWaalsContact CD1-C 3.44Å; L446-A471 HydrophobicContact CD1-CB 3.78Å; L446-A471 WeakPolarHBondContact CD1-O 3.48Å; L446-V472 HydrophobicContact CD1-CG2 3.8Å; L446-V472 HydrophobicContact CD2-CG2 3.97Å; L446-L475 HydrophobicContact CB-CD1 4.17Å
447	R	91.5	Very high	90	Very high	152 Å²	152	79.5 Å²	79.5	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-61.7	-28.5	176.5	-162.5	177.8	-172.3	161.2	8.7	113.6	F443 E444 K445 H449 L450	F443-R447 VanDerWaalsContact O-CB 3.31Å; F443-R447 WeakPolarHBondContact O-CB 3.29Å; F443-R447 PolarHBondContact O-N 3.03Å; E444-R447 PolarHBondContact O-N 3.2Å; K445-R447 VanDerWaalsContact C-N 3.27Å; K445-R447 PolarHBondContact O-N 3.37Å; R447-H449 VanDerWaalsContact C-N 3.33Å; R447-L450 HydrophobicContact CB-CD1 4.3Å; R447-L450 HydrophobicContact CG-CD1 3.8Å
448	Q	91.4	Very high	90.2	Very high	160 Å²	160	80.6 Å²	80.6	75%	0.748	39%	0.387	S	S	*	.	H	α-helix	trans	-74.8	-20.8	173.6	-68.3	170	15.4	0	0	113.4	E444 K445 L446	E444-Q448 WeakPolarHBondContact O-CG 3.29Å; E444-Q448 PolarHBondContact O-N 2.95Å; K445-Q448 WeakPolarHBondContact O-CB 3.48Å; K445-Q448 PolarHBondContact O-N 2.94Å; K445-Q448 VanDerWaalsContact O-N 3.16Å; L446-Q448 PolarHBondContact O-N 2.96Å
449	H	91.5	Very high	90.6	Very high	95 Å²	95	79.9 Å²	79.9	44%	0.44	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2	177	-76.5	-82.1	0	0	0	113.7	W441 K445 L446 R447 L460	W441-H449 AromaticContact CZ3-CD2 3.82Å; K445-H449 PolarHBondContact O-CD2 2.93Å; K445-H449 PolarHBondContact O-N 3.27Å; L446-H449 PolarHBondContact O-N 2.85Å; R447-H449 VanDerWaalsContact C-N 3.33Å; H449-L460 HydrophobicContact CB-CD1 4.02Å
450	L	92.8	Very high	91.1	Very high	39 Å²	39	75.6 Å²	75.6	20%	0.204	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	132.4	170.4	-66.1	170.5	0	0	0	110.3	L446 R447 L458 L460 L475 L478	L446-L450 PolarHBondContact O-N 3Å; R447-L450 HydrophobicContact CB-CD1 4.3Å; R447-L450 HydrophobicContact CG-CD1 3.8Å; L450-L458 HydrophobicContact CB-CD1 4.35Å; L450-L458 HydrophobicContact CD1-CD2 4.18Å; L450-L458 HydrophobicContact CD2-CD2 4.11Å; L450-L458 HydrophobicContact CD2-CG 4.23Å; L450-L460 HydrophobicContact CD2-CB 4.14Å; L450-L460 HydrophobicContact CD2-CD1 4.31Å; L450-L475 HydrophobicContact CD2-CD1 4.48Å; L450-L478 HydrophobicContact CD2-CD1 3.72Å
451	T	92.9	Very high	91.5	Very high	75 Å²	75	76 Å²	76	46%	0.46	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	163.4	172.3	65.2	0	0	0	0	110.2	E459	T451-E459 PolarHBondContact N-O 2.82Å; T451-E459 PolarHBondContact O-N 3.44Å; T451-E459 VanDerWaalsContact OG1-CG 3.31Å; T451-E459 WeakPolarHBondContact OG1-CG 3.19Å
452	R	91.8	Very high	91.7	Very high	160 Å²	160	74.3 Å²	74.3	60%	0.604	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.3	169.2	-76.6	-167.3	170	-154.8	-10	110	D456 K457 L458	R452-D456 WeakPolarHBondContact CD-OD1 3.28Å; R452-D456 IonicContact CZ-OD1 2.84Å; R452-D456 IonicContact CZ-OD2 3.96Å; R452-D456 IonicContact NE-OD1 3.54Å; R452-D456 IonicContact NH1-OD1 3.54Å; R452-D456 PolarHBondContact NH1-OD1 3.15Å; R452-D456 IonicContact NH1-OD2 3.17Å; R452-D456 PolarHBondContact NH1-OD2 3.37Å; R452-K457 WeakPolarHBondContact CA-O 3.48Å; R452-L458 HydrophobicContact CG-CD1 4.26Å
453	N	89.2	Confident	91.8	Very high	23 Å²	23	76.6 Å²	76.6	12%	0.123	36%	0.363	C	S	.	.			trans	-80.8	171.1	179.5	89.8	-3.6	0	0	0	110.8	Q455 D456 K457 E459 I480	N453-Q455 PolarHBondContact O-N 2.95Å; N453-Q455 VanDerWaalsContact OD1-CA 3.26Å; N453-Q455 WeakPolarHBondContact OD1-CA 3.32Å; N453-Q455 VanDerWaalsContact OD1-CB 3.27Å; N453-Q455 WeakPolarHBondContact OD1-CB 3.2Å; N453-Q455 PolarHBondContact OD1-N 3.29Å; N453-D456 PolarHBondContact O-N 3.41Å; N453-D456 PolarHBondContact OD1-N 2.95Å; N453-K457 PolarHBondContact N-O 3.23Å; N453-K457 PolarHBondContact OD1-N 3.36Å; N453-E459 HydrophobicContact CB-CG 4.23Å; N453-E459 WeakPolarHBondContact CB-OE2 3.35Å; N453-I480 WeakPolarHBondContact ND2-CD1 3.44Å
454	P	87.1	Confident	91.8	Very high	133 Å²	133	79.3 Å²	79.3	86%	0.864	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	3.8	-178.5	29.8	-35.5	0	0	0	114.7
455	Q	87.2	Confident	91.8	Very high	131 Å²	131	74.9 Å²	74.9	61%	0.612	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	9.9	168.8	-52	177.9	-4.3	0	0	111.9	N453 K457	N453-Q455 PolarHBondContact O-N 2.95Å; N453-Q455 VanDerWaalsContact OD1-CA 3.26Å; N453-Q455 WeakPolarHBondContact OD1-CA 3.32Å; N453-Q455 VanDerWaalsContact OD1-CB 3.27Å; N453-Q455 WeakPolarHBondContact OD1-CB 3.2Å; N453-Q455 PolarHBondContact OD1-N 3.29Å; Q455-K457 HydrophobicContact CB-CD 4.49Å; Q455-K457 HydrophobicContact CB-CG 4.36Å; Q455-K457 PolarHBondContact O-N 3.49Å
456	D	88.8	Confident	91.5	Very high	100 Å²	100	74.3 Å²	74.3	54%	0.535	36%	0.362	S	S	.	.	S	Bend	trans	66.2	5	-175.4	-155.5	46.7	0	0	0	116.2	R452 N453	R452-D456 WeakPolarHBondContact CD-OD1 3.28Å; R452-D456 IonicContact CZ-OD1 2.84Å; R452-D456 IonicContact CZ-OD2 3.96Å; R452-D456 IonicContact NE-OD1 3.54Å; R452-D456 IonicContact NH1-OD1 3.54Å; R452-D456 PolarHBondContact NH1-OD1 3.15Å; R452-D456 IonicContact NH1-OD2 3.17Å; R452-D456 PolarHBondContact NH1-OD2 3.37Å; N453-D456 PolarHBondContact O-N 3.41Å; N453-D456 PolarHBondContact OD1-N 2.95Å
457	K	90	Very high	91.4	Very high	32 Å²	32	74.8 Å²	74.8	14%	0.139	37%	0.367	C	S	.	.			trans	-70.8	145.9	176.3	-61.3	174.4	173.4	158.8	0	111.6	R452 N453 Q455 E479 I480 E503	R452-K457 WeakPolarHBondContact CA-O 3.48Å; N453-K457 PolarHBondContact N-O 3.23Å; N453-K457 PolarHBondContact OD1-N 3.36Å; Q455-K457 HydrophobicContact CB-CD 4.49Å; Q455-K457 HydrophobicContact CB-CG 4.36Å; Q455-K457 PolarHBondContact O-N 3.49Å; K457-E479 WeakPolarHBondContact CA-OE1 3.36Å; K457-E479 HydrophobicContact CB-CB 4.27Å; K457-I480 HydrophobicContact CB-CD1 4.04Å; K457-I480 HydrophobicContact CB-CG1 4.31Å; K457-I480 HydrophobicContact CD-CD1 3.83Å; K457-I480 HydrophobicContact CD-CG1 4.23Å; K457-E503 IonicContact NZ-OE1 3Å; K457-E503 PolarHBondContact NZ-OE1 2.78Å; K457-E503 IonicContact NZ-OE2 2.89Å; K457-E503 PolarHBondContact NZ-OE2 3.33Å
458	L	93.7	Very high	91.4	Very high	33 Å²	33	68.3 Å²	68.3	17%	0.173	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.8	174.3	-160	77	0	0	0	110.9	L450 R452 D477 L478 E479 I480	L450-L458 HydrophobicContact CB-CD1 4.35Å; L450-L458 HydrophobicContact CD1-CD2 4.18Å; L450-L458 HydrophobicContact CD2-CD2 4.11Å; L450-L458 HydrophobicContact CD2-CG 4.23Å; R452-L458 HydrophobicContact CG-CD1 4.26Å; L458-D477 HydrophobicContact CD2-CB 3.98Å; L458-D477 VanDerWaalsContact CD2-O 3.29Å; L458-D477 WeakPolarHBondContact CD2-O 3.22Å; L458-L478 HydrophobicContact CD2-CD1 4.32Å; L458-L478 HydrophobicContact CG-CD1 4.31Å; L458-E479 PolarHBondContact O-N 2.97Å; L458-I480 PolarHBondContact O-N 2.72Å; L458-I480 VanDerWaalsContact O-N 3.1Å
459	E	94.8	Very high	91.5	Very high	29 Å²	29	60.7 Å²	60.7	14%	0.136	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.2	179.2	70.8	168.9	-119.4	0	0	114.1	T451 N453 I480 K482	T451-E459 PolarHBondContact N-O 2.82Å; T451-E459 PolarHBondContact O-N 3.44Å; T451-E459 VanDerWaalsContact OG1-CG 3.31Å; T451-E459 WeakPolarHBondContact OG1-CG 3.19Å; N453-E459 HydrophobicContact CB-CG 4.23Å; N453-E459 WeakPolarHBondContact CB-OE2 3.35Å; E459-I480 WeakPolarHBondContact CA-O 3.28Å; E459-I480 HydrophobicContact CB-CB 3.73Å; E459-I480 HydrophobicContact CB-CD1 4.29Å; E459-I480 HydrophobicContact CB-CG1 4.36Å; E459-I480 HydrophobicContact CB-CG2 4.21Å; E459-K482 WeakPolarHBondContact OE1-CE 3.31Å; E459-K482 IonicContact OE1-NZ 3.63Å; E459-K482 PolarHBondContact OE1-NZ 3.22Å; E459-K482 WeakPolarHBondContact OE2-CE 3.33Å; E459-K482 IonicContact OE2-NZ 2.66Å; E459-K482 PolarHBondContact OE2-NZ 3.29Å
460	L	95.6	Very high	91.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.1	175.3	-178	67.6	0	0	0	109	L446 H449 L450 L462 V472 L475 L478 I480 L481 K482	L446-L460 HydrophobicContact CD2-CD2 4.44Å; H449-L460 HydrophobicContact CB-CD1 4.02Å; L450-L460 HydrophobicContact CD2-CB 4.14Å; L450-L460 HydrophobicContact CD2-CD1 4.31Å; L460-L462 HydrophobicContact CD1-CD2 4.23Å; L460-L462 HydrophobicContact CD2-CD1 4.35Å; L460-L462 HydrophobicContact CD2-CD2 4.16Å; L460-L462 HydrophobicContact CD2-CG 4.28Å; L460-L462 HydrophobicContact CG-CD2 4.06Å; L460-L462 HydrophobicContact CG-CG 4.24Å; L460-V472 HydrophobicContact CD2-CG1 3.92Å; L460-V472 HydrophobicContact CD2-CG2 4.27Å; L460-L475 HydrophobicContact CD2-CD1 3.83Å; L460-L478 HydrophobicContact CB-CD1 3.75Å; L460-L478 HydrophobicContact CB-CD2 3.94Å; L460-L478 HydrophobicContact CD2-CD2 4.46Å; L460-I480 PolarHBondContact N-O 3.14Å; L460-I480 VanDerWaalsContact N-O 3.1Å; L460-L481 HydrophobicContact CB-CD1 4.33Å; L460-L481 HydrophobicContact CD2-CD1 4.09Å; L460-L481 HydrophobicContact CG-CD1 4.44Å; L460-K482 PolarHBondContact O-N 3.16Å
461	H	95.1	Very high	91.3	Very high	86 Å²	86	56.7 Å²	56.7	40%	0.398	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.2	176.3	-178.5	-155.5	0	0	0	110.1	K482 E484	H461-K482 WeakPolarHBondContact CA-O 3.49Å; H461-K482 HydrophobicContact CB-CB 4.25Å; H461-E484 IonicContact CE1-OE2 3.28Å; H461-E484 PolarHBondContact CE1-OE2 2.9Å; H461-E484 IonicContact NE2-OE2 3.31Å; H461-E484 PolarHBondContact NE2-OE2 3.22Å
462	L	94.6	Very high	91.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.1	177.4	-56	179.7	0	0	0	108.8	L446 L460 L465 V472 L481 K482 L483 E484 I486	L446-L462 HydrophobicContact CD2-CD2 4.03Å; L460-L462 HydrophobicContact CD1-CD2 4.23Å; L460-L462 HydrophobicContact CD2-CD1 4.35Å; L460-L462 HydrophobicContact CD2-CD2 4.16Å; L460-L462 HydrophobicContact CD2-CG 4.28Å; L460-L462 HydrophobicContact CG-CD2 4.06Å; L460-L462 HydrophobicContact CG-CG 4.24Å; L462-L465 HydrophobicContact CB-CD1 3.98Å; L462-L465 HydrophobicContact CD1-CD1 4.27Å; L462-L465 HydrophobicContact CD2-CD1 4.28Å; L462-L465 HydrophobicContact CG-CD1 4.4Å; L462-V472 HydrophobicContact CD1-CG2 3.64Å; L462-L481 HydrophobicContact CD1-CD1 4.48Å; L462-K482 PolarHBondContact N-O 3.14Å; L462-L483 HydrophobicContact CB-CD2 4.05Å; L462-L483 HydrophobicContact CD1-CD2 3.83Å; L462-L483 HydrophobicContact CG-CD2 4.28Å; L462-E484 PolarHBondContact O-N 3.5Å; L462-I486 HydrophobicContact CB-CD1 4.22Å
463	F	93.5	Very high	91.3	Very high	109 Å²	109	45.5 Å²	45.5	48%	0.478	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.8	-167.8	179.3	-97	0	0	0	110.5	L465 E484 L485	F463-L465 VanDerWaalsContact C-N 3.27Å; F463-L465 PolarHBondContact O-N 2.95Å; F463-E484 WeakPolarHBondContact CA-O 3.45Å; F463-E484 HydrophobicContact CD2-CB 3.99Å; F463-E484 HydrophobicContact CD2-CG 3.73Å; F463-E484 HydrophobicContact CE2-CG 4Å; F463-L485 HydrophobicContact CE2-CD1 3.86Å; F463-L485 HydrophobicContact CZ-CD1 4.05Å
464	M	90.2	Very high	91.4	Very high	128 Å²	128	47.4 Å²	47.4	63%	0.631	25%	0.253	S	S	*	.	S	Bend	trans	53.4	36.1	177.1	-66.8	-175	66.3	0	0	115.1	E484 L485	M464-E484 PolarHBondContact N-O 2.78Å; M464-L485 HydrophobicContact CG-CB 3.89Å; M464-L485 HydrophobicContact CG-CD1 3.88Å; M464-L485 HydrophobicContact SD-CD1 4.36Å
465	L	91	Very high	91.6	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.099	21%	0.214	C	C	.	.			trans	-85.3	152.9	169.4	-56.6	-173.4	0	0	0	110.6	L437 W441 L462 F463 G467 P469 I486 P487	L437-L465 HydrophobicContact CD1-CB 4.23Å; L437-L465 HydrophobicContact CD1-CD1 4.41Å; L437-L465 HydrophobicContact CD1-CD2 4.24Å; W441-L465 HydrophobicContact CZ2-CD2 3.85Å; L462-L465 HydrophobicContact CB-CD1 3.98Å; L462-L465 HydrophobicContact CD1-CD1 4.27Å; L462-L465 HydrophobicContact CD2-CD1 4.28Å; L462-L465 HydrophobicContact CG-CD1 4.4Å; F463-L465 VanDerWaalsContact C-N 3.27Å; F463-L465 PolarHBondContact O-N 2.95Å; L465-G467 VanDerWaalsContact C-N 3.3Å; L465-G467 VanDerWaalsContact CB-O 3.28Å; L465-G467 WeakPolarHBondContact CB-O 3.41Å; L465-G467 PolarHBondContact O-N 3.13Å; L465-P469 HydrophobicContact CD1-CG 3.81Å; L465-I486 HydrophobicContact CB-CD1 4.2Å; L465-I486 HydrophobicContact CB-CG1 4.32Å; L465-P487 WeakPolarHBondContact O-CD 3.5Å
466	S	86.9	Confident	91.8	Very high	53 Å²	53	38.5 Å²	38.5	37%	0.371	20%	0.204	S	C	.	.	S	Bend	trans	-68.2	-29.7	176.9	49.3	0	0	0	0	113.3
467	G	90.4	Very high	91.9	Very high	11 Å²	11	38.5 Å²	38.5	11%	0.113	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-153	-165.8	176.7	0	0	0	0	0	110.2	L437 L465	L437-G467 WeakPolarHBondContact CD2-O 3.45Å; L465-G467 VanDerWaalsContact C-N 3.3Å; L465-G467 VanDerWaalsContact CB-O 3.28Å; L465-G467 WeakPolarHBondContact CB-O 3.41Å; L465-G467 PolarHBondContact O-N 3.13Å
468	V	91.5	Very high	92.1	Very high	15 Å²	15	37 Å²	37	9%	0.091	20%	0.198	C	C	.	.			trans	-95.7	125.1	172.3	-178.3	0	0	0	0	108.8	V472 F473 L483 A489 I491	V468-V472 HydrophobicContact CG1-CB 4.46Å; V468-V472 HydrophobicContact CG1-CG2 4.47Å; V468-F473 HydrophobicContact CB-CZ 4.49Å; V468-F473 HydrophobicContact CG1-CE1 4.43Å; V468-F473 HydrophobicContact CG1-CE2 4.22Å; V468-F473 HydrophobicContact CG1-CZ 3.75Å; V468-L483 HydrophobicContact CG2-CD1 3.81Å; V468-L483 HydrophobicContact CG2-CD2 4.27Å; V468-A489 HydrophobicContact CG2-CB 4.22Å; V468-I491 HydrophobicContact CG2-CD1 4.41Å
469	P	92.6	Very high	92.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.			trans	-67.5	136.6	175.6	-12.9	24.5	0	0	0	111.8	L437 N438 W441 L465 A471 V472	L437-P469 HydrophobicContact CD1-CG 4.45Å; L437-P469 HydrophobicContact CD2-CB 4.41Å; L437-P469 HydrophobicContact CD2-CG 3.96Å; L437-P469 HydrophobicContact CG-CB 4.36Å; L437-P469 HydrophobicContact CG-CG 3.99Å; N438-P469 WeakPolarHBondContact OD1-CA 3.37Å; W441-P469 HydrophobicContact CB-CB 3.78Å; W441-P469 HydrophobicContact CB-CG 3.83Å; W441-P469 HydrophobicContact CG-CB 4.45Å; W441-P469 HydrophobicContact CG-CG 3.97Å; L465-P469 HydrophobicContact CD1-CG 3.81Å; P469-A471 VanDerWaalsContact C-N 3.28Å; P469-A471 PolarHBondContact O-N 3.13Å; P469-V472 HydrophobicContact CB-CG2 4.17Å; P469-V472 HydrophobicContact CG-CG2 4.2Å; P469-V472 VanDerWaalsContact O-CB 3.24Å; P469-V472 WeakPolarHBondContact O-CB 3.41Å; P469-V472 WeakPolarHBondContact O-CG2 3.29Å; P469-V472 PolarHBondContact O-N 3.11Å; P469-V472 VanDerWaalsContact O-N 3.09Å
470	D	89.4	Confident	92.1	Very high	35 Å²	35	36.6 Å²	36.6	19%	0.187	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61.5	-34.9	-176.1	-119.6	1.5	0	0	0	112.8	N438 V472 F473 T492 K494	N438-D470 PolarHBondContact OD1-N 2.96Å; D470-V472 PolarHBondContact O-N 3.01Å; D470-F473 VanDerWaalsContact O-CD2 3.3Å; D470-F473 WeakPolarHBondContact O-CD2 3.4Å; D470-F473 PolarHBondContact O-N 3.14Å; D470-T492 PolarHBondContact OD1-OG1 3.09Å; D470-K494 VanDerWaalsContact CG-NZ 3.29Å; D470-K494 IonicContact OD1-NZ 2.69Å; D470-K494 WeakPolarHBondContact OD2-CE 3.26Å; D470-K494 IonicContact OD2-NZ 2.96Å; D470-K494 PolarHBondContact OD2-NZ 3.19Å
471	A	90.9	Very high	92.1	Very high	15 Å²	15	36.6 Å²	36.6	12%	0.124	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-67.8	-3.8	178.7	0	0	0	0	0	114.2	L446 P469 F473 D474	L446-A471 VanDerWaalsContact CD1-C 3.44Å; L446-A471 HydrophobicContact CD1-CB 3.78Å; L446-A471 WeakPolarHBondContact CD1-O 3.48Å; P469-A471 VanDerWaalsContact C-N 3.28Å; P469-A471 PolarHBondContact O-N 3.13Å; A471-F473 VanDerWaalsContact C-N 3.33Å; A471-D474 WeakPolarHBondContact CA-OD2 3.44Å
472	V	92.9	Very high	92.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-69.9	-34.5	168.1	176.3	0	0	0	0	110.7	L446 L460 L462 V468 P469 D470 D474 L475 L481 M498	L446-V472 HydrophobicContact CD1-CG2 3.8Å; L446-V472 HydrophobicContact CD2-CG2 3.97Å; L460-V472 HydrophobicContact CD2-CG1 3.92Å; L460-V472 HydrophobicContact CD2-CG2 4.27Å; L462-V472 HydrophobicContact CD1-CG2 3.64Å; V468-V472 HydrophobicContact CG1-CB 4.46Å; V468-V472 HydrophobicContact CG1-CG2 4.47Å; P469-V472 HydrophobicContact CB-CG2 4.17Å; P469-V472 HydrophobicContact CG-CG2 4.2Å; P469-V472 VanDerWaalsContact O-CB 3.24Å; P469-V472 WeakPolarHBondContact O-CB 3.41Å; P469-V472 WeakPolarHBondContact O-CG2 3.29Å; P469-V472 PolarHBondContact O-N 3.11Å; P469-V472 VanDerWaalsContact O-N 3.09Å; D470-V472 PolarHBondContact O-N 3.01Å; V472-D474 VanDerWaalsContact C-N 3.28Å; V472-D474 PolarHBondContact O-N 2.97Å; V472-L475 WeakPolarHBondContact O-CB 3.45Å; V472-L475 PolarHBondContact O-N 3.32Å; V472-L481 HydrophobicContact CG1-CD1 3.83Å; V472-L481 HydrophobicContact CG1-CD2 4.16Å; V472-M498 WeakPolarHBondContact O-CE 3.24Å
473	F	92.1	Very high	92.2	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-19.8	-176.9	-54.7	-60.7	0	0	0	112.9	V468 D470 A471 L475 I491 T492 K494 I495 M498	V468-F473 HydrophobicContact CB-CZ 4.49Å; V468-F473 HydrophobicContact CG1-CE1 4.43Å; V468-F473 HydrophobicContact CG1-CE2 4.22Å; V468-F473 HydrophobicContact CG1-CZ 3.75Å; D470-F473 VanDerWaalsContact O-CD2 3.3Å; D470-F473 WeakPolarHBondContact O-CD2 3.4Å; D470-F473 PolarHBondContact O-N 3.14Å; A471-F473 VanDerWaalsContact C-N 3.33Å; F473-L475 PolarHBondContact O-N 2.96Å; F473-I491 HydrophobicContact CE1-CG2 4.23Å; F473-I491 HydrophobicContact CZ-CD1 4.45Å; F473-I491 HydrophobicContact CZ-CG2 4.49Å; F473-T492 WeakPolarHBondContact CE2-OG1 3.23Å; F473-K494 HydrophobicContact CB-CB 3.52Å; F473-K494 HydrophobicContact CD2-CB 3.91Å; F473-K494 HydrophobicContact CG-CB 3.88Å; F473-I495 HydrophobicContact CD1-CB 3.79Å; F473-I495 HydrophobicContact CD1-CG1 4.13Å; F473-I495 HydrophobicContact CE1-CB 4.05Å; F473-I495 HydrophobicContact CE1-CD1 4.32Å; F473-I495 HydrophobicContact CE1-CG1 4.34Å; F473-M498 HydrophobicContact CB-SD 4.43Å; F473-M498 HydrophobicContact CD1-SD 3.8Å; F473-M498 VanDerWaalsContact O-CG 3.28Å; F473-M498 WeakPolarHBondContact O-CG 3.4Å
474	D	91.4	Very high	92.3	Very high	63 Å²	63	30.3 Å²	30.3	34%	0.337	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.6	173.6	-54	-27.6	0	0	0	112.5	F443 A471 V472 T476	F443-D474 HydrophobicContact CD2-CB 4.13Å; F443-D474 HydrophobicContact CE2-CB 4.43Å; A471-D474 WeakPolarHBondContact CA-OD2 3.44Å; V472-D474 VanDerWaalsContact C-N 3.28Å; V472-D474 PolarHBondContact O-N 2.97Å; D474-T476 PolarHBondContact O-N 2.83Å; D474-T476 VanDerWaalsContact O-N 3.07Å
475	L	91.4	Very high	92.5	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.058	16%	0.156	C	C	.	.			trans	-83.2	75.4	179.9	-63.1	167.3	0	0	0	111.6	F443 L446 L450 L460 V472 F473 D477 L478 M498	F443-L475 HydrophobicContact CD2-CD2 3.93Å; F443-L475 HydrophobicContact CE2-CD2 3.63Å; F443-L475 HydrophobicContact CE2-CG 4.41Å; F443-L475 HydrophobicContact CZ-CD2 4.33Å; L446-L475 HydrophobicContact CB-CD1 4.17Å; L450-L475 HydrophobicContact CD2-CD1 4.48Å; L460-L475 HydrophobicContact CD2-CD1 3.83Å; V472-L475 WeakPolarHBondContact O-CB 3.45Å; V472-L475 PolarHBondContact O-N 3.32Å; F473-L475 PolarHBondContact O-N 2.96Å; L475-D477 PolarHBondContact O-N 3.46Å; L475-D477 VanDerWaalsContact O-N 3.07Å; L475-L478 HydrophobicContact CB-CB 4.37Å; L475-L478 WeakPolarHBondContact O-CB 3.32Å; L475-L478 PolarHBondContact O-N 3.37Å; L475-M498 HydrophobicContact CB-CE 4.48Å
476	T	90.4	Very high	92.5	Very high	66 Å²	66	27 Å²	27	41%	0.405	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-31	-179.8	52.5	0	0	0	0	115	D474 L478 N500	D474-T476 PolarHBondContact O-N 2.83Å; D474-T476 VanDerWaalsContact O-N 3.07Å; T476-L478 VanDerWaalsContact C-N 3.32Å; T476-L478 PolarHBondContact O-N 3.08Å; T476-N500 PolarHBondContact O-ND2 3.4Å
477	D	91.8	Very high	92.4	Very high	99 Å²	99	28.4 Å²	28.4	53%	0.529	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.3	-170.3	-57.2	-3.7	0	0	0	112.9	L458 L475	L458-D477 HydrophobicContact CD2-CB 3.98Å; L458-D477 VanDerWaalsContact CD2-O 3.29Å; L458-D477 WeakPolarHBondContact CD2-O 3.22Å; L475-D477 PolarHBondContact O-N 3.46Å; L475-D477 VanDerWaalsContact O-N 3.07Å
478	L	93.1	Very high	92	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.			trans	-80	125.8	-174.2	-166.9	72.4	0	0	0	112.5	L450 L458 L460 L475 T476 I480 L481 M498 N500 L501	L450-L478 HydrophobicContact CD2-CD1 3.72Å; L458-L478 HydrophobicContact CD2-CD1 4.32Å; L458-L478 HydrophobicContact CG-CD1 4.31Å; L460-L478 HydrophobicContact CB-CD1 3.75Å; L460-L478 HydrophobicContact CB-CD2 3.94Å; L460-L478 HydrophobicContact CD2-CD2 4.46Å; L475-L478 HydrophobicContact CB-CB 4.37Å; L475-L478 WeakPolarHBondContact O-CB 3.32Å; L475-L478 PolarHBondContact O-N 3.37Å; T476-L478 VanDerWaalsContact C-N 3.32Å; T476-L478 PolarHBondContact O-N 3.08Å; L478-I480 WeakPolarHBondContact CD1-O 3.23Å; L478-I480 WeakPolarHBondContact CG-O 3.44Å; L478-L481 HydrophobicContact CD2-CB 3.98Å; L478-L481 HydrophobicContact CD2-CD1 4.08Å; L478-M498 HydrophobicContact CB-CE 3.86Å; L478-M498 HydrophobicContact CD2-CE 3.62Å; L478-M498 HydrophobicContact CG-CE 4.33Å; L478-N500 CarbonylContact O-C 3.24Å; L478-L501 WeakPolarHBondContact O-CA 3.18Å; L478-L501 PolarHBondContact O-N 2.9Å
479	E	94.1	Very high	91.9	Very high	53 Å²	53	32.1 Å²	32.1	25%	0.248	17%	0.173	C	C	.	.	S	Bend	trans	-95	-31.7	175.2	-70.8	-174.8	-103.5	0	0	113.1	K457 L458 N500 Q502 E503	K457-E479 WeakPolarHBondContact CA-OE1 3.36Å; K457-E479 HydrophobicContact CB-CB 4.27Å; L458-E479 PolarHBondContact O-N 2.97Å; E479-N500 HydrophobicContact CG-CB 4.44Å; E479-Q502 PolarHBondContact O-N 2.84Å; E479-Q502 PolarHBondContact OE2-NE2 2.79Å; E479-E503 PolarHBondContact O-N 3.3Å; E479-E503 VanDerWaalsContact O-N 3.09Å
480	I	95.6	Very high	91.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.9	-175.4	-46.2	-175.4	0	0	0	111.1	N453 K457 L458 E459 L460 L478 K482 E503	N453-I480 WeakPolarHBondContact ND2-CD1 3.44Å; K457-I480 HydrophobicContact CB-CD1 4.04Å; K457-I480 HydrophobicContact CB-CG1 4.31Å; K457-I480 HydrophobicContact CD-CD1 3.83Å; K457-I480 HydrophobicContact CD-CG1 4.23Å; L458-I480 PolarHBondContact O-N 2.72Å; L458-I480 VanDerWaalsContact O-N 3.1Å; E459-I480 WeakPolarHBondContact CA-O 3.28Å; E459-I480 HydrophobicContact CB-CB 3.73Å; E459-I480 HydrophobicContact CB-CD1 4.29Å; E459-I480 HydrophobicContact CB-CG1 4.36Å; E459-I480 HydrophobicContact CB-CG2 4.21Å; L460-I480 PolarHBondContact N-O 3.14Å; L460-I480 VanDerWaalsContact N-O 3.1Å; L478-I480 WeakPolarHBondContact CD1-O 3.23Å; L478-I480 WeakPolarHBondContact CG-O 3.44Å; I480-K482 HydrophobicContact CG2-CG 4.04Å; I480-E503 WeakPolarHBondContact CA-O 3.3Å; I480-E503 HydrophobicContact CB-CB 4.41Å; I480-E503 WeakPolarHBondContact CD1-OE2 3.4Å; I480-E503 HydrophobicContact CG1-CB 4.06Å; I480-E503 HydrophobicContact CG1-CG 4.31Å; I480-E503 HydrophobicContact CG2-CB 4.17Å
481	L	95.4	Very high	91.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.9	170.7	-178.7	60.7	0	0	0	110.8	L460 L462 V472 L478 L483 L501 E503 L504 H505	L460-L481 HydrophobicContact CB-CD1 4.33Å; L460-L481 HydrophobicContact CD2-CD1 4.09Å; L460-L481 HydrophobicContact CG-CD1 4.44Å; L462-L481 HydrophobicContact CD1-CD1 4.48Å; V472-L481 HydrophobicContact CG1-CD1 3.83Å; V472-L481 HydrophobicContact CG1-CD2 4.16Å; L478-L481 HydrophobicContact CD2-CB 3.98Å; L478-L481 HydrophobicContact CD2-CD1 4.08Å; L481-L483 HydrophobicContact CD1-CD2 3.93Å; L481-L483 HydrophobicContact CD2-CD1 4.4Å; L481-L483 HydrophobicContact CD2-CD2 4.27Å; L481-L483 HydrophobicContact CD2-CG 4.42Å; L481-L483 HydrophobicContact CG-CD2 3.99Å; L481-L483 HydrophobicContact CG-CG 4.14Å; L481-L501 HydrophobicContact CB-CD1 3.93Å; L481-E503 PolarHBondContact N-O 2.85Å; L481-E503 VanDerWaalsContact N-O 3.09Å; L481-L504 HydrophobicContact CB-CD1 3.91Å; L481-L504 HydrophobicContact CD2-CD1 4.06Å; L481-L504 HydrophobicContact CG-CD1 4.1Å; L481-L504 WeakPolarHBondContact O-CA 3.46Å; L481-H505 PolarHBondContact O-N 3.38Å
482	K	95.8	Very high	91.8	Very high	34 Å²	34	34.3 Å²	34.3	15%	0.148	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122	177.3	-47.9	-177.6	-177	168.8	0	110.8	E459 L460 H461 L462 I480 H505	E459-K482 WeakPolarHBondContact OE1-CE 3.31Å; E459-K482 IonicContact OE1-NZ 3.63Å; E459-K482 PolarHBondContact OE1-NZ 3.22Å; E459-K482 WeakPolarHBondContact OE2-CE 3.33Å; E459-K482 IonicContact OE2-NZ 2.66Å; E459-K482 PolarHBondContact OE2-NZ 3.29Å; L460-K482 PolarHBondContact O-N 3.16Å; H461-K482 WeakPolarHBondContact CA-O 3.49Å; H461-K482 HydrophobicContact CB-CB 4.25Å; L462-K482 PolarHBondContact N-O 3.14Å; I480-K482 HydrophobicContact CG2-CG 4.04Å; K482-H505 HydrophobicContact CB-CB 4.04Å; K482-H505 HydrophobicContact CG-CB 3.93Å
483	L	95.7	Very high	91.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.9	-177.3	-57.3	-179.1	0	0	0	109	L462 V468 L481 I486 I491 H505 F506 Y507 C509	L462-L483 HydrophobicContact CB-CD2 4.05Å; L462-L483 HydrophobicContact CD1-CD2 3.83Å; L462-L483 HydrophobicContact CG-CD2 4.28Å; V468-L483 HydrophobicContact CG2-CD1 3.81Å; V468-L483 HydrophobicContact CG2-CD2 4.27Å; L481-L483 HydrophobicContact CD1-CD2 3.93Å; L481-L483 HydrophobicContact CD2-CD1 4.4Å; L481-L483 HydrophobicContact CD2-CD2 4.27Å; L481-L483 HydrophobicContact CD2-CG 4.42Å; L481-L483 HydrophobicContact CG-CD2 3.99Å; L481-L483 HydrophobicContact CG-CG 4.14Å; L483-I486 HydrophobicContact CB-CD1 4.07Å; L483-I486 HydrophobicContact CD2-CD1 3.97Å; L483-I491 HydrophobicContact CD1-CD1 4.15Å; L483-H505 PolarHBondContact N-O 3.41Å; L483-F506 HydrophobicContact CB-CD1 4.43Å; L483-F506 HydrophobicContact CD1-CD1 4.18Å; L483-F506 HydrophobicContact CD1-CE1 3.91Å; L483-Y507 PolarHBondContact O-N 3.39Å; L483-C509 VanDerWaalsContact C-SG 3.53Å; L483-C509 PolarHBondContact O-SG 3.21Å
484	E	95.8	Very high	91.5	Very high	32 Å²	32	39.7 Å²	39.7	15%	0.15	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.7	-175.4	-176.9	160.4	-150.1	0	0	112.9	H461 L462 F463 M464 I486 Y507 K531	H461-E484 IonicContact CE1-OE2 3.28Å; H461-E484 PolarHBondContact CE1-OE2 2.9Å; H461-E484 IonicContact NE2-OE2 3.31Å; H461-E484 PolarHBondContact NE2-OE2 3.22Å; L462-E484 PolarHBondContact O-N 3.5Å; F463-E484 WeakPolarHBondContact CA-O 3.45Å; F463-E484 HydrophobicContact CD2-CB 3.99Å; F463-E484 HydrophobicContact CD2-CG 3.73Å; F463-E484 HydrophobicContact CE2-CG 4Å; M464-E484 PolarHBondContact N-O 2.78Å; E484-I486 VanDerWaalsContact C-N 3.3Å; E484-I486 PolarHBondContact O-N 3.16Å; E484-Y507 WeakPolarHBondContact CA-O 3.39Å; E484-Y507 HydrophobicContact CB-CD2 4.33Å; E484-Y507 HydrophobicContact CG-CD2 4.39Å; E484-K531 IonicContact OE1-NZ 2.65Å
485	L	93.8	Very high	91.6	Very high	77 Å²	77	36.7 Å²	36.7	40%	0.403	19%	0.193	S	C	.	.	S	Bend	trans	54.4	41.7	-178.2	-61.7	169	0	0	0	113.5	F463 M464 Y507 H508 C509	F463-L485 HydrophobicContact CE2-CD1 3.86Å; F463-L485 HydrophobicContact CZ-CD1 4.05Å; M464-L485 HydrophobicContact CG-CB 3.89Å; M464-L485 HydrophobicContact CG-CD1 3.88Å; M464-L485 HydrophobicContact SD-CD1 4.36Å; L485-Y507 PolarHBondContact N-O 2.99Å; L485-H508 HydrophobicContact CD2-CB 4.01Å; L485-C509 PolarHBondContact N-SG 3.45Å; L485-C509 VanDerWaalsContact N-SG 3.42Å
486	I	91.7	Very high	91.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.			trans	-104	108.1	175.5	-55.7	-174.6	0	0	0	108.8	L462 L465 L483 E484 A489 C509	L462-I486 HydrophobicContact CB-CD1 4.22Å; L465-I486 HydrophobicContact CB-CD1 4.2Å; L465-I486 HydrophobicContact CB-CG1 4.32Å; L483-I486 HydrophobicContact CB-CD1 4.07Å; L483-I486 HydrophobicContact CD2-CD1 3.97Å; E484-I486 VanDerWaalsContact C-N 3.3Å; E484-I486 PolarHBondContact O-N 3.16Å; I486-A489 HydrophobicContact CB-CB 4.37Å; I486-A489 HydrophobicContact CG2-CB 3.95Å; I486-C509 PolarHBondContact N-SG 3.28Å
487	P	84.9	Confident	91.5	Very high	82 Å²	82	40.5 Å²	40.5	53%	0.532	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-33.5	-172.1	29.5	-34.5	0	0	0	113.1	L465 P510	L465-P487 WeakPolarHBondContact O-CD 3.5Å; P487-P510 WeakPolarHBondContact O-CG 3.42Å
488	E	82.4	Confident	91.4	Very high	104 Å²	104	35.8 Å²	35.8	49%	0.486	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-115.7	56	-178.9	-64.3	-174.9	-145.2	0	0	110.9	N430 K490	N430-E488 PolarHBondContact ND2-OE1 3.24Å; N430-E488 PolarHBondContact ND2-OE2 2.92Å; E488-K490 PolarHBondContact O-N 2.85Å
489	A	88.2	Confident	91.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	22%	0.217	C	C	.	.			trans	-72.2	88.6	176.7	0	0	0	0	0	111.5	V468 I486 A511 K512	V468-A489 HydrophobicContact CG2-CB 4.22Å; I486-A489 HydrophobicContact CB-CB 4.37Å; I486-A489 HydrophobicContact CG2-CB 3.95Å; A489-A511 HydrophobicContact CB-CB 4.23Å; A489-A511 WeakPolarHBondContact O-CA 3.36Å; A489-K512 PolarHBondContact O-N 3.32Å
490	K	89.3	Confident	91.1	Very high	78 Å²	78	42.6 Å²	42.6	34%	0.339	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.4	166.4	-157.7	-171.5	-163.9	-157.5	0	109.7	E250 E488 T492 K512 E514	E250-K490 IonicContact OE2-NZ 2.76Å; E250-K490 PolarHBondContact OE2-NZ 2.82Å; E488-K490 PolarHBondContact O-N 2.85Å; K490-T492 HydrophobicContact CD-CG2 4.22Å; K490-T492 HydrophobicContact CG-CG2 4.49Å; K490-K512 CarbonylContact C-O 3.12Å; K490-K512 WeakPolarHBondContact CA-O 3.34Å; K490-E514 WeakPolarHBondContact CE-OE1 3.43Å; K490-E514 IonicContact NZ-OE1 2.71Å; K490-E514 PolarHBondContact NZ-OE1 3.22Å
491	I	91.6	Very high	90.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110.1	168.2	-52.3	-59.8	0	0	0	108.1	V468 F473 L483 I495 K512 V513 E514 A517	V468-I491 HydrophobicContact CG2-CD1 4.41Å; F473-I491 HydrophobicContact CE1-CG2 4.23Å; F473-I491 HydrophobicContact CZ-CD1 4.45Å; F473-I491 HydrophobicContact CZ-CG2 4.49Å; L483-I491 HydrophobicContact CD1-CD1 4.15Å; I491-I495 HydrophobicContact CG2-CB 4.01Å; I491-I495 HydrophobicContact CG2-CD1 3.49Å; I491-I495 VanDerWaalsContact CG2-CD1 3.49Å; I491-I495 HydrophobicContact CG2-CG1 4.35Å; I491-I495 HydrophobicContact CG2-CG2 3.91Å; I491-K512 PolarHBondContact N-O 3.06Å; I491-V513 HydrophobicContact CB-CB 4.44Å; I491-V513 HydrophobicContact CB-CG1 4.3Å; I491-V513 HydrophobicContact CB-CG2 4Å; I491-V513 HydrophobicContact CG1-CG2 4.01Å; I491-E514 PolarHBondContact O-N 3.31Å; I491-E514 VanDerWaalsContact O-N 3.13Å; I491-A517 HydrophobicContact CG2-CB 4.16Å
492	T	90.3	Very high	90.8	Very high	17 Å²	17	44.8 Å²	44.8	10%	0.104	24%	0.235	C	C	.	.			trans	-86.8	164.6	-175.7	66.2	0	0	0	0	112	D470 F473 K490 K494 I495 E514	D470-T492 PolarHBondContact OD1-OG1 3.09Å; F473-T492 WeakPolarHBondContact CE2-OG1 3.23Å; K490-T492 HydrophobicContact CD-CG2 4.22Å; K490-T492 HydrophobicContact CG-CG2 4.49Å; T492-K494 PolarHBondContact O-N 3.33Å; T492-I495 WeakPolarHBondContact O-CG2 3.4Å; T492-I495 PolarHBondContact O-N 3.05Å; T492-I495 VanDerWaalsContact O-N 3.15Å; T492-E514 VanDerWaalsContact CA-OE2 3.32Å; T492-E514 WeakPolarHBondContact CA-OE2 3.5Å
493	A	89.9	Confident	90.7	Very high	35 Å²	35	44.6 Å²	44.6	29%	0.289	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-49.5	-25.4	176.4	0	0	0	0	0	114.5	I495 S496 E514 T516	A493-I495 PolarHBondContact O-N 2.85Å; A493-S496 WeakPolarHBondContact O-CB 3.5Å; A493-S496 PolarHBondContact O-N 2.83Å; A493-S496 PolarHBondContact O-OG 2.86Å; A493-E514 PolarHBondContact N-OE2 3.21Å; A493-T516 VanDerWaalsContact CB-OG1 3.24Å; A493-T516 WeakPolarHBondContact CB-OG1 3.33Å
494	K	89.6	Confident	90.7	Very high	80 Å²	80	44.6 Å²	44.6	35%	0.348	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-58.4	-26.5	179.3	-66.8	-175.2	174.2	-179.3	0	113.9	D470 F473 T492 S496 Q497	D470-K494 VanDerWaalsContact CG-NZ 3.29Å; D470-K494 IonicContact OD1-NZ 2.69Å; D470-K494 WeakPolarHBondContact OD2-CE 3.26Å; D470-K494 IonicContact OD2-NZ 2.96Å; D470-K494 PolarHBondContact OD2-NZ 3.19Å; F473-K494 HydrophobicContact CB-CB 3.52Å; F473-K494 HydrophobicContact CD2-CB 3.91Å; F473-K494 HydrophobicContact CG-CB 3.88Å; T492-K494 PolarHBondContact O-N 3.33Å; K494-S496 PolarHBondContact O-N 2.89Å; K494-Q497 WeakPolarHBondContact O-CB 3.34Å; K494-Q497 WeakPolarHBondContact O-CG 3.26Å; K494-Q497 PolarHBondContact O-N 3Å
495	I	92.1	Very high	90.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-54.8	-22.5	176.5	-163.5	164.6	0	0	0	113.4	F473 I491 T492 A493 Q497 M498 L501 A517 F520 L521	F473-I495 HydrophobicContact CD1-CB 3.79Å; F473-I495 HydrophobicContact CD1-CG1 4.13Å; F473-I495 HydrophobicContact CE1-CB 4.05Å; F473-I495 HydrophobicContact CE1-CD1 4.32Å; F473-I495 HydrophobicContact CE1-CG1 4.34Å; I491-I495 HydrophobicContact CG2-CB 4.01Å; I491-I495 HydrophobicContact CG2-CD1 3.49Å; I491-I495 VanDerWaalsContact CG2-CD1 3.49Å; I491-I495 HydrophobicContact CG2-CG1 4.35Å; I491-I495 HydrophobicContact CG2-CG2 3.91Å; T492-I495 WeakPolarHBondContact O-CG2 3.4Å; T492-I495 PolarHBondContact O-N 3.05Å; T492-I495 VanDerWaalsContact O-N 3.15Å; A493-I495 PolarHBondContact O-N 2.85Å; I495-Q497 PolarHBondContact O-N 2.86Å; I495-Q497 VanDerWaalsContact O-N 3.08Å; I495-M498 HydrophobicContact CG1-CG 4.44Å; I495-M498 HydrophobicContact CG1-SD 3.91Å; I495-M498 WeakPolarHBondContact O-CB 3.23Å; I495-M498 PolarHBondContact O-N 2.69Å; I495-L501 HydrophobicContact CD1-CD2 3.78Å; I495-L501 HydrophobicContact CG1-CD2 4.05Å; I495-A517 HydrophobicContact CG2-CB 3.53Å; I495-F520 HydrophobicContact CG1-CD1 4.27Å; I495-F520 HydrophobicContact CG1-CE1 4.22Å; I495-F520 HydrophobicContact CG2-CD1 4.07Å; I495-F520 VanDerWaalsContact O-CE1 3.26Å; I495-F520 WeakPolarHBondContact O-CE1 3.48Å; I495-L521 HydrophobicContact CD1-CD1 4.44Å; I495-L521 HydrophobicContact CD1-CD2 3.96Å; I495-L521 HydrophobicContact CD1-CG 4.36Å
496	S	89.3	Confident	90.8	Very high	65 Å²	65	40 Å²	40	46%	0.455	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-59.8	-14.1	173.9	58.8	0	0	0	0	115.1	A493 K494	A493-S496 WeakPolarHBondContact O-CB 3.5Å; A493-S496 PolarHBondContact O-N 2.83Å; A493-S496 PolarHBondContact O-OG 2.86Å; K494-S496 PolarHBondContact O-N 2.89Å
497	Q	90.8	Very high	90.9	Very high	91 Å²	91	42.5 Å²	42.5	43%	0.425	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-79.8	-20.8	172.4	-58.7	-179.6	20.9	0	0	113	K494 I495 I499	K494-Q497 WeakPolarHBondContact O-CB 3.34Å; K494-Q497 WeakPolarHBondContact O-CG 3.26Å; K494-Q497 PolarHBondContact O-N 3Å; I495-Q497 PolarHBondContact O-N 2.86Å; I495-Q497 VanDerWaalsContact O-N 3.08Å; Q497-I499 VanDerWaalsContact C-N 3.26Å; Q497-I499 PolarHBondContact O-N 3.27Å
498	M	90.3	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.			trans	-84.6	56.9	-172.4	-53.9	-176.5	82.5	0	0	112.3	V472 F473 L475 L478 I495 N500 L501 F520	V472-M498 WeakPolarHBondContact O-CE 3.24Å; F473-M498 HydrophobicContact CB-SD 4.43Å; F473-M498 HydrophobicContact CD1-SD 3.8Å; F473-M498 VanDerWaalsContact O-CG 3.28Å; F473-M498 WeakPolarHBondContact O-CG 3.4Å; L475-M498 HydrophobicContact CB-CE 4.48Å; L478-M498 HydrophobicContact CB-CE 3.86Å; L478-M498 HydrophobicContact CD2-CE 3.62Å; L478-M498 HydrophobicContact CG-CE 4.33Å; I495-M498 HydrophobicContact CG1-CG 4.44Å; I495-M498 HydrophobicContact CG1-SD 3.91Å; I495-M498 WeakPolarHBondContact O-CB 3.23Å; I495-M498 PolarHBondContact O-N 2.69Å; M498-N500 PolarHBondContact O-N 2.94Å; M498-L501 HydrophobicContact CB-CB 4.03Å; M498-L501 VanDerWaalsContact O-CB 3.23Å; M498-L501 WeakPolarHBondContact O-CB 3.47Å; M498-L501 PolarHBondContact O-N 2.83Å; M498-L501 HydrophobicContact SD-CD2 4.37Å; M498-F520 WeakPolarHBondContact O-CZ 3.36Å
499	I	89.2	Confident	91.6	Very high	119 Å²	119	35.9 Å²	35.9	61%	0.61	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.2	-169.5	-58.6	168.3	0	0	0	113.5	Q497	Q497-I499 VanDerWaalsContact C-N 3.26Å; Q497-I499 PolarHBondContact O-N 3.27Å
500	N	90.8	Very high	91.5	Very high	77 Å²	77	38.6 Å²	38.6	41%	0.412	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.9	-179.5	-63.4	-58.8	0	0	0	114.7	T476 L478 E479 M498 Q502	T476-N500 PolarHBondContact O-ND2 3.4Å; L478-N500 CarbonylContact O-C 3.24Å; E479-N500 HydrophobicContact CG-CB 4.44Å; M498-N500 PolarHBondContact O-N 2.94Å; N500-Q502 PolarHBondContact O-N 3Å; N500-Q502 PolarHBondContact O-NE2 3.49Å
501	L	93.1	Very high	91.5	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.186	C	C	.	.			trans	-66.4	114.1	-174.2	-174.2	72.4	0	0	0	111.2	L478 L481 I495 M498	L478-L501 WeakPolarHBondContact O-CA 3.18Å; L478-L501 PolarHBondContact O-N 2.9Å; L481-L501 HydrophobicContact CB-CD1 3.93Å; I495-L501 HydrophobicContact CD1-CD2 3.78Å; I495-L501 HydrophobicContact CG1-CD2 4.05Å; M498-L501 HydrophobicContact CB-CB 4.03Å; M498-L501 VanDerWaalsContact O-CB 3.23Å; M498-L501 WeakPolarHBondContact O-CB 3.47Å; M498-L501 PolarHBondContact O-N 2.83Å; M498-L501 HydrophobicContact SD-CD2 4.37Å
502	Q	91.9	Very high	91.4	Very high	47 Å²	47	42.6 Å²	42.6	22%	0.22	22%	0.219	C	C	.	.			trans	-118.1	-22.7	-177.1	-75.3	170.4	85.7	0	0	113.1	E479 N500 L525 R526 C527	E479-Q502 PolarHBondContact O-N 2.84Å; E479-Q502 PolarHBondContact OE2-NE2 2.79Å; N500-Q502 PolarHBondContact O-N 3Å; N500-Q502 PolarHBondContact O-NE2 3.49Å; Q502-L525 WeakPolarHBondContact O-CD1 3.41Å; Q502-R526 PolarHBondContact O-N 2.87Å; Q502-C527 PolarHBondContact O-N 2.86Å
503	E	95.1	Very high	91.4	Very high	29 Å²	29	42.7 Å²	42.7	14%	0.136	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.9	-171.7	-41.8	-167.9	150	0	0	110.6	K457 E479 I480 L481 C527	K457-E503 IonicContact NZ-OE1 3Å; K457-E503 PolarHBondContact NZ-OE1 2.78Å; K457-E503 IonicContact NZ-OE2 2.89Å; K457-E503 PolarHBondContact NZ-OE2 3.33Å; E479-E503 PolarHBondContact O-N 3.3Å; E479-E503 VanDerWaalsContact O-N 3.09Å; I480-E503 WeakPolarHBondContact CA-O 3.3Å; I480-E503 HydrophobicContact CB-CB 4.41Å; I480-E503 WeakPolarHBondContact CD1-OE2 3.4Å; I480-E503 HydrophobicContact CG1-CB 4.06Å; I480-E503 HydrophobicContact CG1-CG 4.31Å; I480-E503 HydrophobicContact CG2-CB 4.17Å; L481-E503 PolarHBondContact N-O 2.85Å; L481-E503 VanDerWaalsContact N-O 3.09Å; E503-C527 WeakPolarHBondContact CA-O 3.47Å; E503-C527 HydrophobicContact CB-CB 4.03Å; E503-C527 HydrophobicContact CG-CB 3.84Å
504	L	95.3	Very high	91.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.1	-176.1	-177	60.4	0	0	0	109.7	L481 F506 L521 L525 C527 L528 H529	L481-L504 HydrophobicContact CB-CD1 3.91Å; L481-L504 HydrophobicContact CD2-CD1 4.06Å; L481-L504 HydrophobicContact CG-CD1 4.1Å; L481-L504 WeakPolarHBondContact O-CA 3.46Å; L504-F506 HydrophobicContact CD1-CE1 4.43Å; L504-F506 HydrophobicContact CD1-CZ 4.33Å; L504-F506 HydrophobicContact CD2-CE1 4.35Å; L504-F506 HydrophobicContact CD2-CE2 3.71Å; L504-F506 HydrophobicContact CD2-CZ 3.49Å; L504-F506 VanDerWaalsContact CD2-CZ 3.49Å; L504-F506 HydrophobicContact CG-CE1 4.36Å; L504-F506 HydrophobicContact CG-CE2 3.92Å; L504-F506 HydrophobicContact CG-CZ 3.84Å; L504-L521 HydrophobicContact CD2-CD2 4.29Å; L504-L525 HydrophobicContact CB-CD1 3.67Å; L504-L525 HydrophobicContact CB-CD2 4.18Å; L504-L525 HydrophobicContact CD2-CD2 4.43Å; L504-C527 PolarHBondContact N-O 3.36Å; L504-L528 HydrophobicContact CB-CD1 4.01Å; L504-L528 HydrophobicContact CD2-CD1 4.32Å; L504-L528 HydrophobicContact CG-CD1 4.2Å; L504-L528 WeakPolarHBondContact O-CA 3.4Å; L504-H529 PolarHBondContact O-N 3.44Å
505	H	95.6	Very high	91.3	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.06	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.1	-177.1	-58.1	-141.2	0	0	0	109.9	L481 K482 L483 Y507 H529	L481-H505 PolarHBondContact O-N 3.38Å; K482-H505 HydrophobicContact CB-CB 4.04Å; K482-H505 HydrophobicContact CG-CB 3.93Å; L483-H505 PolarHBondContact N-O 3.41Å; H505-Y507 HydrophobicContact CB-CE1 4Å; H505-Y507 AromaticContact ND1-CZ 3.66Å; H505-Y507 PolarHBondContact ND1-OH 3.48Å; H505-H529 CarbonylContact C-O 3.23Å; H505-H529 WeakPolarHBondContact CA-O 3.39Å; H505-H529 HydrophobicContact CB-CB 4.08Å; H505-H529 AromaticContact CD2-CD2 3.74Å; H505-H529 AromaticContact CE1-CD2 3.27Å; H505-H529 PolarHBondContact CE1-CD2 3.37Å; H505-H529 AromaticContact CE1-CG 3.71Å; H505-H529 AromaticContact CE1-NE2 3.62Å; H505-H529 AromaticContact CG-CD2 3.9Å; H505-H529 AromaticContact ND1-CD2 3.66Å; H505-H529 AromaticContact ND1-CG 3.67Å; H505-H529 AromaticContact NE2-CD2 3.34Å; H505-H529 PolarHBondContact NE2-CD2 2.73Å; H505-H529 VanDerWaalsContact NE2-CD2 3.34Å; H505-H529 AromaticContact NE2-NE2 3.84Å
506	F	95	Very high	91.2	Very high	1 Å²	1	47 Å²	47	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114	171.6	-61.5	-66	0	0	0	109.7	L483 L504 C509 A511 L528 H529 V530 K531 W541	L483-F506 HydrophobicContact CB-CD1 4.43Å; L483-F506 HydrophobicContact CD1-CD1 4.18Å; L483-F506 HydrophobicContact CD1-CE1 3.91Å; L504-F506 HydrophobicContact CD1-CE1 4.43Å; L504-F506 HydrophobicContact CD1-CZ 4.33Å; L504-F506 HydrophobicContact CD2-CE1 4.35Å; L504-F506 HydrophobicContact CD2-CE2 3.71Å; L504-F506 HydrophobicContact CD2-CZ 3.49Å; L504-F506 VanDerWaalsContact CD2-CZ 3.49Å; L504-F506 HydrophobicContact CG-CE1 4.36Å; L504-F506 HydrophobicContact CG-CE2 3.92Å; L504-F506 HydrophobicContact CG-CZ 3.84Å; F506-C509 HydrophobicContact CB-CB 4.22Å; F506-C509 HydrophobicContact CD1-CB 4.23Å; F506-A511 HydrophobicContact CD1-CB 3.73Å; F506-A511 HydrophobicContact CE1-CB 3.25Å; F506-A511 HydrophobicContact CE2-CB 4.22Å; F506-A511 HydrophobicContact CG-CB 4.38Å; F506-A511 HydrophobicContact CZ-CB 3.53Å; F506-L528 HydrophobicContact CD2-CD1 3.95Å; F506-L528 HydrophobicContact CE2-CD1 3.83Å; F506-H529 PolarHBondContact N-O 2.94Å; F506-V530 WeakPolarHBondContact O-CA 3.42Å; F506-K531 PolarHBondContact O-N 3.07Å; F506-W541 AromaticContact CE2-CH2 3.65Å; F506-W541 HydrophobicContact CE2-CH2 3.65Å; F506-W541 AromaticContact CE2-CZ2 3.83Å; F506-W541 HydrophobicContact CE2-CZ2 3.83Å; F506-W541 AromaticContact CZ-CH2 3.87Å; F506-W541 HydrophobicContact CZ-CH2 3.87Å; F506-W541 AromaticContact CZ-CZ2 3.89Å; F506-W541 HydrophobicContact CZ-CZ2 3.89Å
507	Y	94.8	Very high	91.3	Very high	52 Å²	52	44 Å²	44	20%	0.204	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	97.6	179.3	-62.2	-18.8	0	0	0	110.3	L483 E484 L485 H505 C509 H529 K531	L483-Y507 PolarHBondContact O-N 3.39Å; E484-Y507 WeakPolarHBondContact CA-O 3.39Å; E484-Y507 HydrophobicContact CB-CD2 4.33Å; E484-Y507 HydrophobicContact CG-CD2 4.39Å; L485-Y507 PolarHBondContact N-O 2.99Å; H505-Y507 HydrophobicContact CB-CE1 4Å; H505-Y507 AromaticContact ND1-CZ 3.66Å; H505-Y507 PolarHBondContact ND1-OH 3.48Å; Y507-C509 PolarHBondContact O-SG 3.02Å; Y507-C509 VanDerWaalsContact O-SG 3.36Å; Y507-H529 HydrophobicContact CE1-CB 4.14Å; Y507-K531 HydrophobicContact CD1-CB 3.46Å; Y507-K531 VanDerWaalsContact CD1-CB 3.46Å; Y507-K531 HydrophobicContact CD1-CD 4.19Å; Y507-K531 HydrophobicContact CE1-CB 4.11Å; Y507-K531 HydrophobicContact CG-CB 4.16Å; Y507-K531 HydrophobicContact CG-CD 4.18Å
508	H	92.4	Very high	91.3	Very high	42 Å²	42	40.6 Å²	40.6	19%	0.194	20%	0.203	C	C	.	.	S	Bend	trans	58	47	-172.8	-48.9	-81.9	0	0	0	112.5	L485 K531 T533 E537	L485-H508 HydrophobicContact CD2-CB 4.01Å; H508-K531 PolarHBondContact N-O 3.12Å; H508-K531 WeakPolarHBondContact NE2-CE 3.34Å; H508-K531 PolarHBondContact NE2-NZ 2.59Å; H508-T533 PolarHBondContact ND1-OG1 2.83Å; H508-E537 IonicContact ND1-OE2 2.85Å
509	C	90.1	Very high	91.2	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.027	22%	0.224	C	C	.	.			trans	-129	104.6	-175.7	-64.4	0	0	0	0	110.3	L483 L485 I486 F506 Y507 A511	L483-C509 VanDerWaalsContact C-SG 3.53Å; L483-C509 PolarHBondContact O-SG 3.21Å; L485-C509 PolarHBondContact N-SG 3.45Å; L485-C509 VanDerWaalsContact N-SG 3.42Å; I486-C509 PolarHBondContact N-SG 3.28Å; F506-C509 HydrophobicContact CB-CB 4.22Å; F506-C509 HydrophobicContact CD1-CB 4.23Å; Y507-C509 PolarHBondContact O-SG 3.02Å; Y507-C509 VanDerWaalsContact O-SG 3.36Å; C509-A511 VanDerWaalsContact C-N 3.3Å; C509-A511 PolarHBondContact O-N 3.22Å
510	P	86	Confident	91.3	Very high	58 Å²	58	40 Å²	40	38%	0.377	20%	0.199	S	C	.	.			trans	-77.6	76.6	-180	32.1	-34.8	0	0	0	111.2	P487 K512	P487-P510 WeakPolarHBondContact O-CG 3.42Å; P510-K512 PolarHBondContact O-N 2.95Å
511	A	88.5	Confident	91.3	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.033	18%	0.18	C	C	.	.			trans	-72.7	125.2	-167.9	0	0	0	0	0	114.8	A489 F506 C509 P539 W541	A489-A511 HydrophobicContact CB-CB 4.23Å; A489-A511 WeakPolarHBondContact O-CA 3.36Å; F506-A511 HydrophobicContact CD1-CB 3.73Å; F506-A511 HydrophobicContact CE1-CB 3.25Å; F506-A511 HydrophobicContact CE2-CB 4.22Å; F506-A511 HydrophobicContact CG-CB 4.38Å; F506-A511 HydrophobicContact CZ-CB 3.53Å; C509-A511 VanDerWaalsContact C-N 3.3Å; C509-A511 PolarHBondContact O-N 3.22Å; A511-P539 HydrophobicContact CB-CG 4.27Å; A511-P539 WeakPolarHBondContact O-CB 3.3Å; A511-P539 WeakPolarHBondContact O-CG 3.37Å; A511-W541 HydrophobicContact CB-CZ2 4.3Å; A511-W541 PolarHBondContact O-NE1 2.66Å
512	K	89.7	Confident	91.1	Very high	158 Å²	158	37.1 Å²	37.1	69%	0.687	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.9	171.3	-63	175.2	-174.9	170.2	0	109.2	A489 K490 I491 P510	A489-K512 PolarHBondContact O-N 3.32Å; K490-K512 CarbonylContact C-O 3.12Å; K490-K512 WeakPolarHBondContact CA-O 3.34Å; I491-K512 PolarHBondContact N-O 3.06Å; P510-K512 PolarHBondContact O-N 2.95Å
513	V	90.7	Very high	90.9	Very high	20 Å²	20	39.7 Å²	39.7	12%	0.121	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.4	-175.1	-176.8	0	0	0	0	109.9	I491 A517 F518 L521 W541	I491-V513 HydrophobicContact CB-CB 4.44Å; I491-V513 HydrophobicContact CB-CG1 4.3Å; I491-V513 HydrophobicContact CB-CG2 4Å; I491-V513 HydrophobicContact CG1-CG2 4.01Å; V513-A517 HydrophobicContact CG1-CB 3.65Å; V513-F518 HydrophobicContact CG1-CB 3.87Å; V513-L521 HydrophobicContact CG1-CD1 4.1Å; V513-W541 HydrophobicContact CB-CD2 4.47Å; V513-W541 HydrophobicContact CG2-CD2 3.93Å; V513-W541 HydrophobicContact CG2-CE3 4.41Å; V513-W541 HydrophobicContact CG2-CH2 3.81Å; V513-W541 HydrophobicContact CG2-CZ2 3.26Å; V513-W541 HydrophobicContact CG2-CZ3 4.34Å
514	E	88.6	Confident	90.6	Very high	46 Å²	46	41.7 Å²	41.7	22%	0.215	21%	0.209	C	C	.	.			trans	-71.3	153.7	175.2	-69.6	174.3	-176.9	0	0	112	K490 I491 T492 A493 T516 A517 F518	K490-E514 WeakPolarHBondContact CE-OE1 3.43Å; K490-E514 IonicContact NZ-OE1 2.71Å; K490-E514 PolarHBondContact NZ-OE1 3.22Å; I491-E514 PolarHBondContact O-N 3.31Å; I491-E514 VanDerWaalsContact O-N 3.13Å; T492-E514 VanDerWaalsContact CA-OE2 3.32Å; T492-E514 WeakPolarHBondContact CA-OE2 3.5Å; A493-E514 PolarHBondContact N-OE2 3.21Å; E514-T516 VanDerWaalsContact C-N 3.26Å; E514-T516 PolarHBondContact O-N 3.38Å; E514-T516 VanDerWaalsContact O-N 3.16Å; E514-A517 HydrophobicContact CB-CB 4.31Å; E514-A517 WeakPolarHBondContact O-CB 3.43Å; E514-A517 PolarHBondContact O-N 3.24Å; E514-A517 VanDerWaalsContact O-N 3.14Å; E514-F518 WeakPolarHBondContact O-CB 3.46Å; E514-F518 PolarHBondContact O-N 3.37Å
515	Q	88.2	Confident	90.5	Very high	90 Å²	90	41.8 Å²	41.8	42%	0.421	21%	0.209	S	C	.	.	H	α-helix	trans	-58	-35.2	-173.2	-176.7	60.1	52.8	0	0	113.7	F247 I519	F247-Q515 VanDerWaalsContact CG-OE1 3.24Å; Q515-I519 WeakPolarHBondContact O-CD1 3.41Å; Q515-I519 WeakPolarHBondContact O-CG1 3.4Å; Q515-I519 PolarHBondContact O-N 3.19Å
516	T	89.3	Confident	90.4	Very high	70 Å²	70	46.3 Å²	46.3	43%	0.429	23%	0.226	S	C	.	.	H	α-helix	trans	-73.3	-45.5	176.8	45	0	0	0	0	112	A493 E514 F518 I519 F520	A493-T516 VanDerWaalsContact CB-OG1 3.24Å; A493-T516 WeakPolarHBondContact CB-OG1 3.33Å; E514-T516 VanDerWaalsContact C-N 3.26Å; E514-T516 PolarHBondContact O-N 3.38Å; E514-T516 VanDerWaalsContact O-N 3.16Å; T516-F518 VanDerWaalsContact C-N 3.29Å; T516-F518 PolarHBondContact O-N 2.68Å; T516-I519 PolarHBondContact O-N 2.95Å; T516-F520 PolarHBondContact O-N 3.43Å; T516-F520 VanDerWaalsContact O-N 3.14Å
517	A	91.2	Very high	90.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-39.8	173.4	0	0	0	0	0	112.2	I491 I495 V513 E514 F520 L521	I491-A517 HydrophobicContact CG2-CB 4.16Å; I495-A517 HydrophobicContact CG2-CB 3.53Å; V513-A517 HydrophobicContact CG1-CB 3.65Å; E514-A517 HydrophobicContact CB-CB 4.31Å; E514-A517 WeakPolarHBondContact O-CB 3.43Å; E514-A517 PolarHBondContact O-N 3.24Å; E514-A517 VanDerWaalsContact O-N 3.14Å; A517-F520 PolarHBondContact O-N 3.5Å; A517-L521 WeakPolarHBondContact O-CG 3.5Å; A517-L521 PolarHBondContact O-N 3.34Å
518	F	91.6	Very high	90.4	Very high	21 Å²	21	44 Å²	44	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-38.6	176.7	171.7	-103	0	0	0	112.6	F247 V513 E514 T516 C522 W541 L544 L545	F247-F518 HydrophobicContact CE1-CB 4.49Å; F247-F518 HydrophobicContact CE1-CD1 4.06Å; F247-F518 HydrophobicContact CE1-CD2 4.48Å; F247-F518 HydrophobicContact CE1-CE1 4.48Å; F247-F518 HydrophobicContact CE1-CG 4.07Å; F247-F518 HydrophobicContact CZ-CD1 4.1Å; F247-F518 HydrophobicContact CZ-CE1 4.08Å; F247-F518 HydrophobicContact CZ-CG 4.45Å; F247-F518 HydrophobicContact CZ-CZ 4.4Å; V513-F518 HydrophobicContact CG1-CB 3.87Å; E514-F518 WeakPolarHBondContact O-CB 3.46Å; E514-F518 PolarHBondContact O-N 3.37Å; T516-F518 VanDerWaalsContact C-N 3.29Å; T516-F518 PolarHBondContact O-N 2.68Å; F518-C522 VanDerWaalsContact CE2-SG 3.53Å; F518-C522 WeakPolarHBondContact CZ-SG 3.37Å; F518-C522 WeakPolarHBondContact O-CB 3.36Å; F518-C522 PolarHBondContact O-N 3.25Å; F518-C522 PolarHBondContact O-SG 3.46Å; F518-W541 HydrophobicContact CD2-CB 4.03Å; F518-W541 HydrophobicContact CD2-CE3 4.21Å; F518-W541 HydrophobicContact CE2-CB 3.96Å; F518-W541 HydrophobicContact CE2-CE3 4.47Å; F518-L544 HydrophobicContact CE2-CB 3.98Å; F518-L544 HydrophobicContact CZ-CB 3.6Å; F518-L544 HydrophobicContact CZ-CD1 4.15Å; F518-L545 HydrophobicContact CE2-CD2 4.38Å
519	I	89	Confident	90.6	Very high	90 Å²	90	43.8 Å²	43.8	46%	0.462	22%	0.216	S	C	.	.	H	α-helix	trans	-63	-48.5	174.1	-68.7	161.9	0	0	0	110	Q515 T516 L521 C522 D523	Q515-I519 WeakPolarHBondContact O-CD1 3.41Å; Q515-I519 WeakPolarHBondContact O-CG1 3.4Å; Q515-I519 PolarHBondContact O-N 3.19Å; T516-I519 PolarHBondContact O-N 2.95Å; I519-L521 PolarHBondContact O-N 3.13Å; I519-C522 WeakPolarHBondContact O-CB 3.35Å; I519-C522 PolarHBondContact O-N 3.38Å; I519-D523 PolarHBondContact O-N 2.9Å
520	F	90.8	Very high	90.7	Very high	17 Å²	17	43.8 Å²	43.8	8%	0.075	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-48	177	174.2	-97.4	0	0	0	112.4	I495 M498 T516 A517 C522 D523 H524	I495-F520 HydrophobicContact CG1-CD1 4.27Å; I495-F520 HydrophobicContact CG1-CE1 4.22Å; I495-F520 HydrophobicContact CG2-CD1 4.07Å; I495-F520 VanDerWaalsContact O-CE1 3.26Å; I495-F520 WeakPolarHBondContact O-CE1 3.48Å; M498-F520 WeakPolarHBondContact O-CZ 3.36Å; T516-F520 PolarHBondContact O-N 3.43Å; T516-F520 VanDerWaalsContact O-N 3.14Å; A517-F520 PolarHBondContact O-N 3.5Å; F520-C522 VanDerWaalsContact C-N 3.35Å; F520-C522 PolarHBondContact O-N 2.75Å; F520-D523 PolarHBondContact O-N 3.28Å; F520-H524 AromaticContact CD2-CE1 3.56Å; F520-H524 AromaticContact CD2-ND1 3.38Å; F520-H524 WeakPolarHBondContact CD2-ND1 3.44Å; F520-H524 HydrophobicContact CE1-CB 4.38Å; F520-H524 HydrophobicContact CE2-CB 4.37Å; F520-H524 AromaticContact CE2-CD2 3.82Å; F520-H524 AromaticContact CE2-CE1 3.47Å; F520-H524 VanDerWaalsContact CE2-CE1 3.47Å; F520-H524 WeakPolarHBondContact CE2-CE1 3.32Å; F520-H524 AromaticContact CE2-CG 3.6Å; F520-H524 AromaticContact CE2-ND1 3.35Å; F520-H524 WeakPolarHBondContact CE2-ND1 3.34Å; F520-H524 AromaticContact CE2-NE2 3.77Å; F520-H524 HydrophobicContact CZ-CB 4.1Å; F520-H524 AromaticContact CZ-CG 3.79Å; F520-H524 AromaticContact CZ-ND1 3.96Å; F520-H524 PolarHBondContact O-N 3.17Å; F520-H524 PolarHBondContact O-ND1 2.64Å
521	L	90.8	Very high	91.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-34.6	178.3	-73.1	171.5	0	0	0	113	I495 L504 V513 A517 I519 D523 L525 W541 L545	I495-L521 HydrophobicContact CD1-CD1 4.44Å; I495-L521 HydrophobicContact CD1-CD2 3.96Å; I495-L521 HydrophobicContact CD1-CG 4.36Å; L504-L521 HydrophobicContact CD2-CD2 4.29Å; V513-L521 HydrophobicContact CG1-CD1 4.1Å; A517-L521 WeakPolarHBondContact O-CG 3.5Å; A517-L521 PolarHBondContact O-N 3.34Å; I519-L521 PolarHBondContact O-N 3.13Å; L521-D523 PolarHBondContact O-N 3.06Å; L521-L525 HydrophobicContact CD2-CB 4.34Å; L521-L525 HydrophobicContact CD2-CD1 4.36Å; L521-L525 WeakPolarHBondContact O-CB 3.32Å; L521-L525 PolarHBondContact O-N 3.42Å; L521-L525 VanDerWaalsContact O-N 3.1Å; L521-W541 HydrophobicContact CD1-CH2 4.37Å; L521-W541 HydrophobicContact CD1-CZ3 4.25Å; L521-L545 HydrophobicContact CB-CD2 4.17Å
522	C	88.3	Confident	91.2	Very high	15 Å²	15	44.5 Å²	44.5	10%	0.101	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-34.1	174.8	-77.8	0	0	0	0	113.1	F518 I519 F520 N547	F518-C522 VanDerWaalsContact CE2-SG 3.53Å; F518-C522 WeakPolarHBondContact CZ-SG 3.37Å; F518-C522 WeakPolarHBondContact O-CB 3.36Å; F518-C522 PolarHBondContact O-N 3.25Å; F518-C522 PolarHBondContact O-SG 3.46Å; I519-C522 WeakPolarHBondContact O-CB 3.35Å; I519-C522 PolarHBondContact O-N 3.38Å; F520-C522 VanDerWaalsContact C-N 3.35Å; F520-C522 PolarHBondContact O-N 2.75Å; C522-N547 WeakPolarHBondContact O-CB 3.45Å; C522-N547 PolarHBondContact O-ND2 2.94Å
523	D	87.3	Confident	91.1	Very high	101 Å²	101	41.5 Å²	41.5	54%	0.54	21%	0.207	S	C	.	.	H	α-helix	trans	-87.7	-39.3	-176.2	-72.5	-28.1	0	0	0	112.7	I519 F520 L521 N547	I519-D523 PolarHBondContact O-N 2.9Å; F520-D523 PolarHBondContact O-N 3.28Å; L521-D523 PolarHBondContact O-N 3.06Å; D523-N547 PolarHBondContact O-ND2 3.33Å
524	H	89.1	Confident	90.7	Very high	71 Å²	71	44 Å²	44	33%	0.329	22%	0.22	S	C	.	.	H	α-helix	trans	-98.4	-35	-169.9	-62.2	76.8	0	0	0	114.7	F520 R526	F520-H524 AromaticContact CD2-CE1 3.56Å; F520-H524 AromaticContact CD2-ND1 3.38Å; F520-H524 WeakPolarHBondContact CD2-ND1 3.44Å; F520-H524 HydrophobicContact CE1-CB 4.38Å; F520-H524 HydrophobicContact CE2-CB 4.37Å; F520-H524 AromaticContact CE2-CD2 3.82Å; F520-H524 AromaticContact CE2-CE1 3.47Å; F520-H524 VanDerWaalsContact CE2-CE1 3.47Å; F520-H524 WeakPolarHBondContact CE2-CE1 3.32Å; F520-H524 AromaticContact CE2-CG 3.6Å; F520-H524 AromaticContact CE2-ND1 3.35Å; F520-H524 WeakPolarHBondContact CE2-ND1 3.34Å; F520-H524 AromaticContact CE2-NE2 3.77Å; F520-H524 HydrophobicContact CZ-CB 4.1Å; F520-H524 AromaticContact CZ-CG 3.79Å; F520-H524 AromaticContact CZ-ND1 3.96Å; F520-H524 PolarHBondContact O-N 3.17Å; F520-H524 PolarHBondContact O-ND1 2.64Å; H524-R526 PolarHBondContact O-N 3.24Å
525	L	92.8	Very high	90.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.214	C	C	.	.			trans	-72.1	129.5	-169.8	-164.3	75.1	0	0	0	112	Q502 L504 L521 L528 L545 L548	Q502-L525 WeakPolarHBondContact O-CD1 3.41Å; L504-L525 HydrophobicContact CB-CD1 3.67Å; L504-L525 HydrophobicContact CB-CD2 4.18Å; L504-L525 HydrophobicContact CD2-CD2 4.43Å; L521-L525 HydrophobicContact CD2-CB 4.34Å; L521-L525 HydrophobicContact CD2-CD1 4.36Å; L521-L525 WeakPolarHBondContact O-CB 3.32Å; L521-L525 PolarHBondContact O-N 3.42Å; L521-L525 VanDerWaalsContact O-N 3.1Å; L525-L528 HydrophobicContact CD2-CB 4.31Å; L525-L528 HydrophobicContact CD2-CD1 3.96Å; L525-L545 HydrophobicContact CD2-CD1 4.11Å; L525-L548 HydrophobicContact CD2-CD1 4.25Å; L525-L548 HydrophobicContact CG-CD1 4.39Å
526	R	93.1	Very high	89.7	Confident	109 Å²	109	42.2 Å²	42.2	41%	0.411	23%	0.227	S	C	.	.			trans	-111.7	-37.8	-176.1	-65.2	176	-176.7	178.4	-0.7	112.8	Q502 H524 R549 E550	Q502-R526 PolarHBondContact O-N 2.87Å; H524-R526 PolarHBondContact O-N 3.24Å; R526-R549 PolarHBondContact O-N 3.41Å; R526-E550 PolarHBondContact O-N 3.11Å
527	C	95.4	Very high	89.5	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.02	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138	178	-173.7	0	0	0	0	110.8	Q502 E503 L504 H529 E550 Y552	Q502-C527 PolarHBondContact O-N 2.86Å; E503-C527 WeakPolarHBondContact CA-O 3.47Å; E503-C527 HydrophobicContact CB-CB 4.03Å; E503-C527 HydrophobicContact CG-CB 3.84Å; L504-C527 PolarHBondContact N-O 3.36Å; C527-H529 PolarHBondContact SG-NE2 2.99Å; C527-E550 WeakPolarHBondContact CA-O 3.2Å; C527-E550 HydrophobicContact CB-CB 4.26Å; C527-Y552 VanDerWaalsContact SG-CE2 3.57Å
528	L	95.4	Very high	89.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126	171.4	-174	77.5	0	0	0	110.3	L504 F506 L525 V530 V542 L545 L548 E550 L551 Y552	L504-L528 HydrophobicContact CB-CD1 4.01Å; L504-L528 HydrophobicContact CD2-CD1 4.32Å; L504-L528 HydrophobicContact CG-CD1 4.2Å; L504-L528 WeakPolarHBondContact O-CA 3.4Å; F506-L528 HydrophobicContact CD2-CD1 3.95Å; F506-L528 HydrophobicContact CE2-CD1 3.83Å; L525-L528 HydrophobicContact CD2-CB 4.31Å; L525-L528 HydrophobicContact CD2-CD1 3.96Å; L528-V530 HydrophobicContact CD2-CG2 3.62Å; L528-V530 HydrophobicContact CG-CG2 3.85Å; L528-V542 HydrophobicContact CD2-CB 4.06Å; L528-V542 HydrophobicContact CD2-CG1 3.32Å; L528-V542 HydrophobicContact CD2-CG2 3.61Å; L528-L545 HydrophobicContact CD2-CD1 4.28Å; L528-L548 HydrophobicContact CB-CD1 3.82Å; L528-L548 HydrophobicContact CB-CD2 4.19Å; L528-E550 PolarHBondContact N-O 2.67Å; L528-L551 HydrophobicContact CB-CD1 4.14Å; L528-L551 HydrophobicContact CD2-CD1 3.97Å; L528-L551 HydrophobicContact CG-CD1 4.39Å; L528-Y552 PolarHBondContact O-N 3.25Å
529	H	95.7	Very high	89	Confident	38 Å²	38	41 Å²	41	18%	0.176	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.3	166.9	-65.6	-102.8	0	0	0	109.6	L504 H505 F506 Y507 C527 Y552	L504-H529 PolarHBondContact O-N 3.44Å; H505-H529 CarbonylContact C-O 3.23Å; H505-H529 WeakPolarHBondContact CA-O 3.39Å; H505-H529 HydrophobicContact CB-CB 4.08Å; H505-H529 AromaticContact CD2-CD2 3.74Å; H505-H529 AromaticContact CE1-CD2 3.27Å; H505-H529 PolarHBondContact CE1-CD2 3.37Å; H505-H529 AromaticContact CE1-CG 3.71Å; H505-H529 AromaticContact CE1-NE2 3.62Å; H505-H529 AromaticContact CG-CD2 3.9Å; H505-H529 AromaticContact ND1-CD2 3.66Å; H505-H529 AromaticContact ND1-CG 3.67Å; H505-H529 AromaticContact NE2-CD2 3.34Å; H505-H529 PolarHBondContact NE2-CD2 2.73Å; H505-H529 VanDerWaalsContact NE2-CD2 3.34Å; H505-H529 AromaticContact NE2-NE2 3.84Å; F506-H529 PolarHBondContact N-O 2.94Å; Y507-H529 HydrophobicContact CE1-CB 4.14Å; C527-H529 PolarHBondContact SG-NE2 2.99Å; H529-Y552 AromaticContact CE1-CD1 3.64Å; H529-Y552 AromaticContact CE1-CD2 3.33Å; H529-Y552 WeakPolarHBondContact CE1-CD2 3.46Å; H529-Y552 AromaticContact CE1-CE2 3.73Å; H529-Y552 AromaticContact CE1-CG 3.31Å; H529-Y552 VanDerWaalsContact ND1-CB 3.3Å; H529-Y552 WeakPolarHBondContact ND1-CB 3.36Å; H529-Y552 AromaticContact ND1-CD1 3.94Å; H529-Y552 AromaticContact ND1-CD2 3.69Å; H529-Y552 AromaticContact ND1-CG 3.38Å; H529-Y552 AromaticContact NE2-CD2 3.58Å; H529-Y552 AromaticContact NE2-CE2 3.81Å
530	V	94	Very high	88.8	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	111.3	171.7	-166.4	0	0	0	0	108.6	F506 L528 F532 I538 Y552 L553 V554	F506-V530 WeakPolarHBondContact O-CA 3.42Å; L528-V530 HydrophobicContact CD2-CG2 3.62Å; L528-V530 HydrophobicContact CG-CG2 3.85Å; V530-F532 HydrophobicContact CG1-CD1 4.16Å; V530-I538 HydrophobicContact CG1-CG1 4.45Å; V530-I538 HydrophobicContact CG1-CG2 4.42Å; V530-Y552 PolarHBondContact N-O 3.24Å; V530-L553 HydrophobicContact CB-CD2 3.94Å; V530-L553 HydrophobicContact CG2-CD2 4.2Å; V530-L553 WeakPolarHBondContact O-CA 3.31Å; V530-V554 PolarHBondContact O-N 2.98Å
531	K	93.8	Very high	88.6	Confident	71 Å²	71	39.7 Å²	39.7	31%	0.309	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.2	168.8	-178.8	-162.6	175.9	-143.1	0	107.9	E484 F506 Y507 H508 V554	E484-K531 IonicContact OE1-NZ 2.65Å; F506-K531 PolarHBondContact O-N 3.07Å; Y507-K531 HydrophobicContact CD1-CB 3.46Å; Y507-K531 VanDerWaalsContact CD1-CB 3.46Å; Y507-K531 HydrophobicContact CD1-CD 4.19Å; Y507-K531 HydrophobicContact CE1-CB 4.11Å; Y507-K531 HydrophobicContact CG-CB 4.16Å; Y507-K531 HydrophobicContact CG-CD 4.18Å; H508-K531 PolarHBondContact N-O 3.12Å; H508-K531 WeakPolarHBondContact NE2-CE 3.34Å; H508-K531 PolarHBondContact NE2-NZ 2.59Å; K531-V554 CarbonylContact C-O 3.16Å; K531-V554 WeakPolarHBondContact CA-O 3.44Å; K531-V554 HydrophobicContact CB-CB 4.18Å; K531-V554 HydrophobicContact CG-CB 4.21Å; K531-V554 HydrophobicContact CG-CG1 4.12Å
532	F	90.3	Very high	88.4	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.026	22%	0.217	C	C	.	.			trans	-143	156.3	-170.6	56.9	-84.2	0	0	0	111.4	V530 D534 E537 I538 L553 V554 G555 L557	V530-F532 HydrophobicContact CG1-CD1 4.16Å; F532-D534 WeakPolarHBondContact CD2-O 3.39Å; F532-E537 VanDerWaalsContact CA-OE2 3.24Å; F532-E537 WeakPolarHBondContact CA-OE2 3.38Å; F532-E537 HydrophobicContact CB-CB 3.97Å; F532-I538 HydrophobicContact CB-CG1 4.28Å; F532-I538 HydrophobicContact CD1-CD1 3.86Å; F532-I538 HydrophobicContact CD1-CG1 3.77Å; F532-I538 HydrophobicContact CD2-CD1 4.05Å; F532-I538 HydrophobicContact CD2-CG1 4.09Å; F532-I538 HydrophobicContact CE1-CD1 3.67Å; F532-I538 HydrophobicContact CE1-CG1 4.13Å; F532-I538 HydrophobicContact CE2-CD1 3.87Å; F532-I538 HydrophobicContact CE2-CG1 4.42Å; F532-I538 HydrophobicContact CG-CD1 4.06Å; F532-I538 HydrophobicContact CG-CG1 3.77Å; F532-I538 HydrophobicContact CZ-CD1 3.69Å; F532-I538 HydrophobicContact CZ-CG1 4.45Å; F532-L553 HydrophobicContact CE1-CB 4.09Å; F532-V554 PolarHBondContact N-O 2.92Å; F532-G555 VanDerWaalsContact CE2-C 3.49Å; F532-G555 WeakPolarHBondContact O-CA 3.41Å; F532-L557 HydrophobicContact CE2-CD2 3.96Å; F532-L557 HydrophobicContact CE2-CG 4.36Å; F532-L557 HydrophobicContact CZ-CD2 3.57Å; F532-L557 HydrophobicContact CZ-CG 3.9Å
533	T	86.9	Confident	88.2	Confident	95 Å²	95	39.4 Å²	39.4	58%	0.583	21%	0.214	S	C	*	.	S	Bend	trans	-95.4	-50.1	174.3	2	0	0	0	0	111	H508 E537	H508-T533 PolarHBondContact ND1-OG1 2.83Å; T533-E537 VanDerWaalsContact CA-OE1 3.31Å; T533-E537 WeakPolarHBondContact CA-OE1 3.35Å; T533-E537 WeakPolarHBondContact CB-OE1 3.26Å; T533-E537 VanDerWaalsContact N-CD 3.29Å; T533-E537 PolarHBondContact N-OE1 3.26Å; T533-E537 PolarHBondContact N-OE2 3.35Å; T533-E537 PolarHBondContact OG1-OE1 2.88Å; T533-E537 PolarHBondContact OG1-OE2 3.19Å
534	D	82	Confident	88.2	Confident	74 Å²	74	37.4 Å²	37.4	40%	0.396	20%	0.203	S	C	.	.	S	Bend	trans	-112.6	153.3	169.1	-173.8	24.6	0	0	0	111.8	F532 A536 E537	F532-D534 WeakPolarHBondContact CD2-O 3.39Å; D534-A536 PolarHBondContact O-N 3.49Å; D534-A536 WeakPolarHBondContact OD2-CB 3.43Å; D534-E537 PolarHBondContact N-OE1 3.28Å; D534-E537 WeakPolarHBondContact O-CB 3.44Å; D534-E537 PolarHBondContact O-N 3.22Å
535	V	78.5	Confident	88.1	Confident	14 Å²	14	34.1 Å²	34.1	9%	0.085	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-61.3	-26	178.4	-171.3	0	0	0	0	111.4	E537 I538 L557 N562	V535-E537 PolarHBondContact O-N 3.29Å; V535-I538 HydrophobicContact CG1-CD1 4.13Å; V535-I538 WeakPolarHBondContact O-CB 3.47Å; V535-I538 PolarHBondContact O-N 3.38Å; V535-I538 VanDerWaalsContact O-N 3.1Å; V535-L557 HydrophobicContact CG2-CD2 4.45Å; V535-N562 HydrophobicContact CG2-CB 4.3Å
536	A	79.3	Confident	87.7	Confident	83 Å²	83	40.9 Å²	40.9	69%	0.686	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-64.7	-19	174.9	0	0	0	0	0	114.2	D534 I538	D534-A536 PolarHBondContact O-N 3.49Å; D534-A536 WeakPolarHBondContact OD2-CB 3.43Å; A536-I538 VanDerWaalsContact C-N 3.31Å
537	E	83.4	Confident	87.5	Confident	39 Å²	39	38.4 Å²	38.4	18%	0.182	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-74.7	-20.9	172.9	-65.1	163.1	-135.3	0	0	112.4	H508 F532 T533 D534 V535 P539	H508-E537 IonicContact ND1-OE2 2.85Å; F532-E537 VanDerWaalsContact CA-OE2 3.24Å; F532-E537 WeakPolarHBondContact CA-OE2 3.38Å; F532-E537 HydrophobicContact CB-CB 3.97Å; T533-E537 VanDerWaalsContact CA-OE1 3.31Å; T533-E537 WeakPolarHBondContact CA-OE1 3.35Å; T533-E537 WeakPolarHBondContact CB-OE1 3.26Å; T533-E537 VanDerWaalsContact N-CD 3.29Å; T533-E537 PolarHBondContact N-OE1 3.26Å; T533-E537 PolarHBondContact N-OE2 3.35Å; T533-E537 PolarHBondContact OG1-OE1 2.88Å; T533-E537 PolarHBondContact OG1-OE2 3.19Å; D534-E537 PolarHBondContact N-OE1 3.28Å; D534-E537 WeakPolarHBondContact O-CB 3.44Å; D534-E537 PolarHBondContact O-N 3.22Å; V535-E537 PolarHBondContact O-N 3.29Å; E537-P539 WeakPolarHBondContact O-CD 3.49Å
538	I	86.9	Confident	87.3	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.062	21%	0.211	C	C	.	.	S	Bend	trans	-76.6	114.3	-177.4	-48.5	175	0	0	0	109.2	V530 F532 V535 A536 S540 Y543 L557	V530-I538 HydrophobicContact CG1-CG1 4.45Å; V530-I538 HydrophobicContact CG1-CG2 4.42Å; F532-I538 HydrophobicContact CB-CG1 4.28Å; F532-I538 HydrophobicContact CD1-CD1 3.86Å; F532-I538 HydrophobicContact CD1-CG1 3.77Å; F532-I538 HydrophobicContact CD2-CD1 4.05Å; F532-I538 HydrophobicContact CD2-CG1 4.09Å; F532-I538 HydrophobicContact CE1-CD1 3.67Å; F532-I538 HydrophobicContact CE1-CG1 4.13Å; F532-I538 HydrophobicContact CE2-CD1 3.87Å; F532-I538 HydrophobicContact CE2-CG1 4.42Å; F532-I538 HydrophobicContact CG-CD1 4.06Å; F532-I538 HydrophobicContact CG-CG1 3.77Å; F532-I538 HydrophobicContact CZ-CD1 3.69Å; F532-I538 HydrophobicContact CZ-CG1 4.45Å; V535-I538 HydrophobicContact CG1-CD1 4.13Å; V535-I538 WeakPolarHBondContact O-CB 3.47Å; V535-I538 PolarHBondContact O-N 3.38Å; V535-I538 VanDerWaalsContact O-N 3.1Å; A536-I538 VanDerWaalsContact C-N 3.31Å; I538-S540 PolarHBondContact O-N 3.01Å; I538-Y543 HydrophobicContact CG2-CE2 4.37Å; I538-Y543 WeakPolarHBondContact CG2-OH 3.27Å; I538-L557 HydrophobicContact CD1-CD2 4.26Å
539	P	85.3	Confident	87.2	Confident	14 Å²	14	43.8 Å²	43.8	9%	0.091	23%	0.232	C	C	.	.			trans	-70.7	132.1	-173.7	-18.9	33.1	0	0	0	112.2	A511 E537 W541 V542	A511-P539 HydrophobicContact CB-CG 4.27Å; A511-P539 WeakPolarHBondContact O-CB 3.3Å; A511-P539 WeakPolarHBondContact O-CG 3.37Å; E537-P539 WeakPolarHBondContact O-CD 3.49Å; P539-W541 HydrophobicContact CB-CD2 4.31Å; P539-W541 HydrophobicContact CB-CG 4.22Å; P539-W541 HydrophobicContact CB-CZ2 4.17Å; P539-W541 HydrophobicContact CG-CZ2 4.27Å; P539-W541 PolarHBondContact O-N 3.26Å; P539-W541 VanDerWaalsContact O-N 3.09Å; P539-V542 HydrophobicContact CB-CG2 4.29Å; P539-V542 HydrophobicContact CG-CG2 4.44Å; P539-V542 VanDerWaalsContact O-CB 3.26Å; P539-V542 WeakPolarHBondContact O-CB 3.1Å; P539-V542 WeakPolarHBondContact O-CG2 3.12Å; P539-V542 PolarHBondContact O-N 3.38Å
540	S	84.7	Confident	87.2	Confident	66 Å²	66	44.8 Å²	44.8	46%	0.462	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.9	-24.2	-175.4	59	0	0	0	0	114.4	I538 V542 Y543	I538-S540 PolarHBondContact O-N 3.01Å; S540-V542 VanDerWaalsContact C-N 3.26Å; S540-V542 PolarHBondContact O-N 3.16Å; S540-Y543 WeakPolarHBondContact O-CD2 3.26Å
541	W	87.4	Confident	87.2	Confident	15 Å²	15	44.6 Å²	44.6	6%	0.057	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-69.3	-19.9	176.1	62.2	-100.7	0	0	0	113.4	F506 A511 V513 F518 L521 P539 Y543 L544 L545	F506-W541 AromaticContact CE2-CH2 3.65Å; F506-W541 HydrophobicContact CE2-CH2 3.65Å; F506-W541 AromaticContact CE2-CZ2 3.83Å; F506-W541 HydrophobicContact CE2-CZ2 3.83Å; F506-W541 AromaticContact CZ-CH2 3.87Å; F506-W541 HydrophobicContact CZ-CH2 3.87Å; F506-W541 AromaticContact CZ-CZ2 3.89Å; F506-W541 HydrophobicContact CZ-CZ2 3.89Å; A511-W541 HydrophobicContact CB-CZ2 4.3Å; A511-W541 PolarHBondContact O-NE1 2.66Å; V513-W541 HydrophobicContact CB-CD2 4.47Å; V513-W541 HydrophobicContact CG2-CD2 3.93Å; V513-W541 HydrophobicContact CG2-CE3 4.41Å; V513-W541 HydrophobicContact CG2-CH2 3.81Å; V513-W541 HydrophobicContact CG2-CZ2 3.26Å; V513-W541 HydrophobicContact CG2-CZ3 4.34Å; F518-W541 HydrophobicContact CD2-CB 4.03Å; F518-W541 HydrophobicContact CD2-CE3 4.21Å; F518-W541 HydrophobicContact CE2-CB 3.96Å; F518-W541 HydrophobicContact CE2-CE3 4.47Å; L521-W541 HydrophobicContact CD1-CH2 4.37Å; L521-W541 HydrophobicContact CD1-CZ3 4.25Å; P539-W541 HydrophobicContact CB-CD2 4.31Å; P539-W541 HydrophobicContact CB-CG 4.22Å; P539-W541 HydrophobicContact CB-CZ2 4.17Å; P539-W541 HydrophobicContact CG-CZ2 4.27Å; P539-W541 PolarHBondContact O-N 3.26Å; P539-W541 VanDerWaalsContact O-N 3.09Å; W541-Y543 PolarHBondContact O-N 3.34Å; W541-L544 WeakPolarHBondContact O-CB 3.25Å; W541-L544 PolarHBondContact O-N 3.43Å; W541-L545 HydrophobicContact CE3-CD1 4.31Å; W541-L545 HydrophobicContact CE3-CD2 4.16Å; W541-L545 HydrophobicContact CE3-CG 4.32Å; W541-L545 HydrophobicContact CZ3-CD1 3.93Å; W541-L545 HydrophobicContact CZ3-CD2 4.09Å; W541-L545 HydrophobicContact CZ3-CG 4.33Å
542	V	87.5	Confident	87.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.9	-40.3	176.5	165.6	0	0	0	0	111.6	L528 P539 S540 L544 L545 L551	L528-V542 HydrophobicContact CD2-CB 4.06Å; L528-V542 HydrophobicContact CD2-CG1 3.32Å; L528-V542 HydrophobicContact CD2-CG2 3.61Å; P539-V542 HydrophobicContact CB-CG2 4.29Å; P539-V542 HydrophobicContact CG-CG2 4.44Å; P539-V542 VanDerWaalsContact O-CB 3.26Å; P539-V542 WeakPolarHBondContact O-CB 3.1Å; P539-V542 WeakPolarHBondContact O-CG2 3.12Å; P539-V542 PolarHBondContact O-N 3.38Å; S540-V542 VanDerWaalsContact C-N 3.26Å; S540-V542 PolarHBondContact O-N 3.16Å; V542-L544 PolarHBondContact O-N 2.91Å; V542-L545 WeakPolarHBondContact O-CB 3.3Å; V542-L545 WeakPolarHBondContact O-CD1 3.36Å; V542-L545 WeakPolarHBondContact O-CG 3.41Å; V542-L545 PolarHBondContact O-N 2.97Å; V542-L551 HydrophobicContact CG1-CD1 4.33Å
543	Y	84.3	Confident	87.4	Confident	11 Å²	11	43.2 Å²	43.2	4%	0.043	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-72.6	-8	-178.6	-52.1	-66.8	0	0	0	113.8	I538 S540 W541 G566 L570 L573	I538-Y543 HydrophobicContact CG2-CE2 4.37Å; I538-Y543 WeakPolarHBondContact CG2-OH 3.27Å; S540-Y543 WeakPolarHBondContact O-CD2 3.26Å; W541-Y543 PolarHBondContact O-N 3.34Å; Y543-G566 VanDerWaalsContact CE2-O 3.31Å; Y543-G566 WeakPolarHBondContact CE2-O 3.38Å; Y543-G566 PolarHBondContact OH-O 3.44Å; Y543-G566 VanDerWaalsContact OH-O 3.07Å; Y543-L570 HydrophobicContact CD1-CD2 3.78Å; Y543-L570 HydrophobicContact CD1-CG 4.04Å; Y543-L570 HydrophobicContact CE1-CD2 3.84Å; Y543-L570 HydrophobicContact CE1-CG 4.01Å; Y543-L573 WeakPolarHBondContact O-CD2 3.48Å
544	L	86.6	Confident	87.7	Confident	59 Å²	59	40.7 Å²	40.7	31%	0.309	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-97.9	-2.3	179.7	-52.8	178.1	0	0	0	112.8	F247 F518 W541 V542 K546	F247-L544 HydrophobicContact CZ-CD1 4.29Å; F518-L544 HydrophobicContact CE2-CB 3.98Å; F518-L544 HydrophobicContact CZ-CB 3.6Å; F518-L544 HydrophobicContact CZ-CD1 4.15Å; W541-L544 WeakPolarHBondContact O-CB 3.25Å; W541-L544 PolarHBondContact O-N 3.43Å; V542-L544 PolarHBondContact O-N 2.91Å; L544-K546 PolarHBondContact O-N 3.11Å
545	L	87.6	Confident	88	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.201	C	C	.	.			trans	-74	80.6	-178.1	-64.1	171.7	0	0	0	112.1	F518 L521 L525 L528 W541 V542 N547 L548 L573	F518-L545 HydrophobicContact CE2-CD2 4.38Å; L521-L545 HydrophobicContact CB-CD2 4.17Å; L525-L545 HydrophobicContact CD2-CD1 4.11Å; L528-L545 HydrophobicContact CD2-CD1 4.28Å; W541-L545 HydrophobicContact CE3-CD1 4.31Å; W541-L545 HydrophobicContact CE3-CD2 4.16Å; W541-L545 HydrophobicContact CE3-CG 4.32Å; W541-L545 HydrophobicContact CZ3-CD1 3.93Å; W541-L545 HydrophobicContact CZ3-CD2 4.09Å; W541-L545 HydrophobicContact CZ3-CG 4.33Å; V542-L545 WeakPolarHBondContact O-CB 3.3Å; V542-L545 WeakPolarHBondContact O-CD1 3.36Å; V542-L545 WeakPolarHBondContact O-CG 3.41Å; V542-L545 PolarHBondContact O-N 2.97Å; L545-N547 VanDerWaalsContact C-N 3.27Å; L545-N547 PolarHBondContact O-N 3.1Å; L545-N547 VanDerWaalsContact O-N 3.1Å; L545-L548 HydrophobicContact CB-CB 4.11Å; L545-L548 VanDerWaalsContact O-CB 3.29Å; L545-L548 WeakPolarHBondContact O-CB 3.34Å; L545-L548 PolarHBondContact O-N 2.99Å; L545-L548 VanDerWaalsContact O-N 3.11Å; L545-L573 HydrophobicContact CB-CD2 4.43Å; L545-L573 WeakPolarHBondContact O-CD2 3.29Å
546	K	83.5	Confident	88.3	Confident	144 Å²	144	40.7 Å²	40.7	63%	0.626	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.3	-169.2	-66.6	171	-169.8	163.8	0	115.5	L544 H575	L544-K546 PolarHBondContact O-N 3.11Å; K546-H575 PolarHBondContact O-ND1 3.13Å
547	N	88.3	Confident	88.2	Confident	57 Å²	57	37.6 Å²	37.6	31%	0.305	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	0.5	-176.5	-64	-14.6	0	0	0	114.1	C522 D523 L545 R549	C522-N547 WeakPolarHBondContact O-CB 3.45Å; C522-N547 PolarHBondContact O-ND2 2.94Å; D523-N547 PolarHBondContact O-ND2 3.33Å; L545-N547 VanDerWaalsContact C-N 3.27Å; L545-N547 PolarHBondContact O-N 3.1Å; L545-N547 VanDerWaalsContact O-N 3.1Å; N547-R549 PolarHBondContact O-N 2.93Å
548	L	92.2	Very high	87.5	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.193	C	C	.	.			trans	-59.5	130.2	-179.8	-166.1	73.6	0	0	0	110.8	L525 L528 L545 L551 L573 H575 L576	L525-L548 HydrophobicContact CD2-CD1 4.25Å; L525-L548 HydrophobicContact CG-CD1 4.39Å; L528-L548 HydrophobicContact CB-CD1 3.82Å; L528-L548 HydrophobicContact CB-CD2 4.19Å; L545-L548 HydrophobicContact CB-CB 4.11Å; L545-L548 VanDerWaalsContact O-CB 3.29Å; L545-L548 WeakPolarHBondContact O-CB 3.34Å; L545-L548 PolarHBondContact O-N 2.99Å; L545-L548 VanDerWaalsContact O-N 3.11Å; L548-L551 HydrophobicContact CD2-CB 4Å; L548-L551 HydrophobicContact CD2-CD1 4.08Å; L548-L551 HydrophobicContact CD2-CG 4.45Å; L548-L573 HydrophobicContact CD2-CD1 4.39Å; L548-H575 CarbonylContact O-C 3.23Å; L548-L576 HydrophobicContact CD2-CD1 4.27Å; L548-L576 HydrophobicContact CG-CD1 4.33Å; L548-L576 WeakPolarHBondContact O-CA 3.3Å; L548-L576 PolarHBondContact O-N 3.25Å
549	R	93.8	Very high	86.2	Confident	115 Å²	115	39.7 Å²	39.7	43%	0.434	20%	0.203	S	C	.	.			trans	-106.1	-33.1	-176.8	-60.6	-178.9	179.4	-177	-0.3	112.4	R526 N547 K577 I578	R526-R549 PolarHBondContact O-N 3.41Å; N547-R549 PolarHBondContact O-N 2.93Å; R549-K577 PolarHBondContact O-N 2.7Å; R549-I578 PolarHBondContact O-N 3.33Å
550	E	95.4	Very high	84.7	Confident	59 Å²	59	45.1 Å²	45.1	28%	0.276	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.8	-176.5	-48.5	-168.4	-160.3	0	0	110.2	R526 C527 L528 Y552 I578	R526-E550 PolarHBondContact O-N 3.11Å; C527-E550 WeakPolarHBondContact CA-O 3.2Å; C527-E550 HydrophobicContact CB-CB 4.26Å; L528-E550 PolarHBondContact N-O 2.67Å; E550-Y552 HydrophobicContact CB-CE2 3.79Å; E550-Y552 PolarHBondContact OE2-OH 3.49Å; E550-I578 WeakPolarHBondContact CA-O 3.32Å; E550-I578 HydrophobicContact CB-CB 4.19Å; E550-I578 HydrophobicContact CG-CB 3.98Å; E550-I578 HydrophobicContact CG-CD1 4.13Å; E550-I578 HydrophobicContact CG-CG1 4.12Å
551	L	94.4	Very high	83	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.7	179.5	178.7	62.9	0	0	0	109.8	L528 V542 L548 L553 L570 L573 L576 I578 L579 H580	L528-L551 HydrophobicContact CB-CD1 4.14Å; L528-L551 HydrophobicContact CD2-CD1 3.97Å; L528-L551 HydrophobicContact CG-CD1 4.39Å; V542-L551 HydrophobicContact CG1-CD1 4.33Å; L548-L551 HydrophobicContact CD2-CB 4Å; L548-L551 HydrophobicContact CD2-CD1 4.08Å; L548-L551 HydrophobicContact CD2-CG 4.45Å; L551-L553 HydrophobicContact CD1-CD2 3.93Å; L551-L553 HydrophobicContact CD1-CG 4.38Å; L551-L553 HydrophobicContact CD2-CD1 4.41Å; L551-L553 HydrophobicContact CD2-CG 4.35Å; L551-L553 HydrophobicContact CG-CD2 4.21Å; L551-L553 HydrophobicContact CG-CG 4.12Å; L551-L570 HydrophobicContact CD2-CD2 3.66Å; L551-L573 HydrophobicContact CD2-CD1 3.96Å; L551-L576 HydrophobicContact CB-CD1 3.65Å; L551-L576 HydrophobicContact CB-CD2 4.35Å; L551-I578 PolarHBondContact N-O 3.4Å; L551-L579 HydrophobicContact CB-CD1 4.14Å; L551-L579 HydrophobicContact CD2-CD1 4.05Å; L551-L579 HydrophobicContact CG-CD1 4.17Å; L551-H580 PolarHBondContact O-N 2.92Å
552	Y	94.9	Very high	81.3	Confident	48 Å²	48	50 Å²	50	19%	0.188	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	105.5	179.6	-61.9	-104.8	0	0	0	109.1	C527 L528 H529 V530 E550 H580	C527-Y552 VanDerWaalsContact SG-CE2 3.57Å; L528-Y552 PolarHBondContact O-N 3.25Å; H529-Y552 AromaticContact CE1-CD1 3.64Å; H529-Y552 AromaticContact CE1-CD2 3.33Å; H529-Y552 WeakPolarHBondContact CE1-CD2 3.46Å; H529-Y552 AromaticContact CE1-CE2 3.73Å; H529-Y552 AromaticContact CE1-CG 3.31Å; H529-Y552 VanDerWaalsContact ND1-CB 3.3Å; H529-Y552 WeakPolarHBondContact ND1-CB 3.36Å; H529-Y552 AromaticContact ND1-CD1 3.94Å; H529-Y552 AromaticContact ND1-CD2 3.69Å; H529-Y552 AromaticContact ND1-CG 3.38Å; H529-Y552 AromaticContact NE2-CD2 3.58Å; H529-Y552 AromaticContact NE2-CE2 3.81Å; V530-Y552 PolarHBondContact N-O 3.24Å; E550-Y552 HydrophobicContact CB-CE2 3.79Å; E550-Y552 PolarHBondContact OE2-OH 3.49Å; Y552-H580 CarbonylContact C-O 3.53Å; Y552-H580 WeakPolarHBondContact CA-O 3.36Å; Y552-H580 HydrophobicContact CD1-CB 3.35Å; Y552-H580 AromaticContact CD1-CG 3.53Å; Y552-H580 AromaticContact CD1-ND1 3.97Å; Y552-H580 HydrophobicContact CE1-CB 3.8Å; Y552-H580 HydrophobicContact CG-CB 3.99Å
553	L	92	Very high	79.5	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.7	175	-60.8	-177.6	0	0	0	109.7	V530 F532 L551 L567 H580 L581 K582	V530-L553 HydrophobicContact CB-CD2 3.94Å; V530-L553 HydrophobicContact CG2-CD2 4.2Å; V530-L553 WeakPolarHBondContact O-CA 3.31Å; F532-L553 HydrophobicContact CE1-CB 4.09Å; L551-L553 HydrophobicContact CD1-CD2 3.93Å; L551-L553 HydrophobicContact CD1-CG 4.38Å; L551-L553 HydrophobicContact CD2-CD1 4.41Å; L551-L553 HydrophobicContact CD2-CG 4.35Å; L551-L553 HydrophobicContact CG-CD2 4.21Å; L551-L553 HydrophobicContact CG-CG 4.12Å; L553-L567 HydrophobicContact CD1-CD2 4.31Å; L553-H580 PolarHBondContact N-O 3.32Å; L553-L581 HydrophobicContact CB-CD2 3.84Å; L553-L581 HydrophobicContact CD1-CD2 3.91Å; L553-L581 HydrophobicContact CG-CD2 4.18Å; L553-L581 WeakPolarHBondContact O-CA 3.46Å; L553-K582 PolarHBondContact O-N 3.42Å
554	V	92.9	Very high	77.9	Confident	42 Å²	42	59.9 Å²	59.9	26%	0.255	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	99.1	-176.9	-177.2	0	0	0	0	110	V530 K531 F532 K582	V530-V554 PolarHBondContact O-N 2.98Å; K531-V554 CarbonylContact C-O 3.16Å; K531-V554 WeakPolarHBondContact CA-O 3.44Å; K531-V554 HydrophobicContact CB-CB 4.18Å; K531-V554 HydrophobicContact CG-CB 4.21Å; K531-V554 HydrophobicContact CG-CG1 4.12Å; F532-V554 PolarHBondContact N-O 2.92Å; V554-K582 WeakPolarHBondContact CA-O 3.45Å; V554-K582 HydrophobicContact CB-CB 4.42Å; V554-K582 HydrophobicContact CG1-CB 4.11Å; V554-K582 HydrophobicContact CG1-CD 4.21Å; V554-K582 HydrophobicContact CG1-CG 4.25Å; V554-K582 HydrophobicContact CG2-CB 4.18Å
555	G	88.8	Confident	76.2	Confident	15 Å²	15	63.5 Å²	63.5	16%	0.155	32%	0.315	C	S	.	.	S	Bend	trans	167.5	178.6	-175.5	0	0	0	0	0	112.4	F532 L557 K582 S583	F532-G555 VanDerWaalsContact CE2-C 3.49Å; F532-G555 WeakPolarHBondContact O-CA 3.41Å; G555-L557 PolarHBondContact O-N 3.41Å; G555-K582 PolarHBondContact N-O 3.26Å; G555-S583 VanDerWaalsContact O-CA 3.32Å; G555-S583 WeakPolarHBondContact O-CA 3.32Å; G555-S583 WeakPolarHBondContact O-CB 3.45Å; G555-S583 PolarHBondContact O-OG 2.69Å
556	N	84.1	Confident	74.7	Confident	73 Å²	73	63.9 Å²	63.9	39%	0.39	32%	0.32	S	S	.	.			trans	-85.9	100.8	-176.3	-174.9	15.1	0	0	0	112.3	N558	N556-N558 VanDerWaalsContact C-N 3.34Å; N556-N558 PolarHBondContact OD1-N 3.37Å
557	L	78.3	Confident	73.8	Confident	18 Å²	18	58 Å²	58	9%	0.094	30%	0.295	C	S	.	.			trans	-81.5	-8.8	174.8	-62.6	167	0	0	0	113.7	F532 V535 I538 G555 S559 L567 S583 L585	F532-L557 HydrophobicContact CE2-CD2 3.96Å; F532-L557 HydrophobicContact CE2-CG 4.36Å; F532-L557 HydrophobicContact CZ-CD2 3.57Å; F532-L557 HydrophobicContact CZ-CG 3.9Å; V535-L557 HydrophobicContact CG2-CD2 4.45Å; I538-L557 HydrophobicContact CD1-CD2 4.26Å; G555-L557 PolarHBondContact O-N 3.41Å; L557-S559 VanDerWaalsContact C-N 3.34Å; L557-S559 PolarHBondContact O-N 2.9Å; L557-L567 HydrophobicContact CD1-CD1 4.35Å; L557-L567 HydrophobicContact CD2-CD2 4.25Å; L557-S583 WeakPolarHBondContact CB-OG 3.27Å; L557-S583 PolarHBondContact N-OG 3.13Å; L557-L585 HydrophobicContact CB-CD2 4.01Å; L557-L585 HydrophobicContact CD1-CD2 4.16Å
558	N	69.7	Low	72.8	Confident	56 Å²	56	58.4 Å²	58.4	30%	0.299	30%	0.295	S	S	.	.			trans	-94.6	45	-168.3	-167	66.4	0	0	0	113.3	N556 N584	N556-N558 VanDerWaalsContact C-N 3.34Å; N556-N558 PolarHBondContact OD1-N 3.37Å; N558-N584 VanDerWaalsContact CB-O 3.22Å; N558-N584 WeakPolarHBondContact CB-O 3.24Å
559	S	59.1	Low	71.9	Confident	39 Å²	39	60.4 Å²	60.4	27%	0.273	31%	0.309	S	S	.	.			trans	-82.7	128.1	166.9	176	0	0	0	0	109.7	L557 N561 N562	L557-S559 VanDerWaalsContact C-N 3.34Å; L557-S559 PolarHBondContact O-N 2.9Å; S559-N561 PolarHBondContact O-N 3.35Å; S559-N561 VanDerWaalsContact O-N 3.12Å; S559-N562 PolarHBondContact O-N 2.98Å
560	E	53.6	Low	71.2	Confident	128 Å²	128	55 Å²	55	60%	0.598	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-53.1	-35.4	-178.4	-77.6	-67.1	124.8	0	0	112.8	K563	E560-K563 WeakPolarHBondContact OE1-CE 3.27Å; E560-K563 IonicContact OE1-NZ 3.91Å; E560-K563 PolarHBondContact OE1-NZ 2.9Å; E560-K563 IonicContact OE2-NZ 2.73Å; E560-K563 PolarHBondContact OE2-NZ 3.4Å
561	N	49.3	Very low	70.4	Confident	139 Å²	139	57.7 Å²	57.7	74%	0.743	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-75.2	-22.4	-179.4	-63.2	-14.4	0	0	0	113.5	S559	S559-N561 PolarHBondContact O-N 3.35Å; S559-N561 VanDerWaalsContact O-N 3.12Å
562	N	50.4	Low	69.7	Low	43 Å²	43	61.1 Å²	61.1	23%	0.23	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-104.5	12.1	-168.4	-68.6	-21.2	0	0	0	114.1	V535 S559 L564	V535-N562 HydrophobicContact CG2-CB 4.3Å; S559-N562 PolarHBondContact O-N 2.98Å; N562-L564 PolarHBondContact O-N 2.93Å
563	K	50.6	Low	69.3	Low	114 Å²	114	58.8 Å²	58.8	50%	0.496	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-7.2	-175.7	-81.9	173.6	178.2	165.5	0	116.8	E560	E560-K563 WeakPolarHBondContact OE1-CE 3.27Å; E560-K563 IonicContact OE1-NZ 3.91Å; E560-K563 PolarHBondContact OE1-NZ 2.9Å; E560-K563 IonicContact OE2-NZ 2.73Å; E560-K563 PolarHBondContact OE2-NZ 3.4Å
564	L	49.7	Very low	68.8	Low	106 Å²	106	66.3 Å²	66.3	56%	0.555	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	-48.2	175	-68.7	93	0	0	0	112.9	N562 G566 L567 E568	N562-L564 PolarHBondContact O-N 2.93Å; L564-G566 PolarHBondContact O-N 3.05Å; L564-L567 PolarHBondContact O-N 3.49Å; L564-E568 WeakPolarHBondContact O-CB 3.48Å; L564-E568 PolarHBondContact O-N 2.99Å; L564-E568 VanDerWaalsContact O-N 3.15Å
565	I	51.3	Low	68.6	Low	134 Å²	134	69.3 Å²	69.3	69%	0.687	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-44.3	-161.1	-60.6	172.2	0	0	0	113.8
566	G	56.5	Low	68.7	Low	10 Å²	10	68.6 Å²	68.6	10%	0.103	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-39.9	-175.4	0	0	0	0	0	114.1	Y543 L564	Y543-G566 VanDerWaalsContact CE2-O 3.31Å; Y543-G566 WeakPolarHBondContact CE2-O 3.38Å; Y543-G566 PolarHBondContact OH-O 3.44Å; Y543-G566 VanDerWaalsContact OH-O 3.07Å; L564-G566 PolarHBondContact O-N 3.05Å
567	L	65.1	Low	69.2	Low	21 Å²	21	70.4 Å²	70.4	11%	0.11	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-4.5	-167.9	-57.7	178.4	0	0	0	113.8	L553 L557 L564 S569 L570 P589 N591	L553-L567 HydrophobicContact CD1-CD2 4.31Å; L557-L567 HydrophobicContact CD1-CD1 4.35Å; L557-L567 HydrophobicContact CD2-CD2 4.25Å; L564-L567 PolarHBondContact O-N 3.49Å; L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 2.98Å; L567-L570 HydrophobicContact CB-CD1 4.17Å; L567-L570 HydrophobicContact CD2-CD1 3.78Å; L567-L570 HydrophobicContact CD2-CG 4.47Å; L567-L570 WeakPolarHBondContact O-CB 3.13Å; L567-L570 PolarHBondContact O-N 3.44Å; L567-P589 HydrophobicContact CD1-CB 4.14Å; L567-P589 HydrophobicContact CD1-CG 3.69Å; L567-N591 WeakPolarHBondContact O-CB 3.43Å
568	E	66.8	Low	70	Confident	65 Å²	65	70.9 Å²	70.9	30%	0.304	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-62	-36.6	179.9	-105.7	-158.8	-126.8	0	0	113.8	L564 L570 R571	L564-E568 WeakPolarHBondContact O-CB 3.48Å; L564-E568 PolarHBondContact O-N 2.99Å; L564-E568 VanDerWaalsContact O-N 3.15Å; E568-L570 VanDerWaalsContact C-N 3.31Å; E568-L570 PolarHBondContact O-N 3.28Å; E568-R571 WeakPolarHBondContact O-CD 3.5Å; E568-R571 WeakPolarHBondContact O-CG 3.43Å; E568-R571 PolarHBondContact O-NE 3.38Å; E568-R571 IonicContact OE2-CZ 3.54Å; E568-R571 IonicContact OE2-NH1 2.62Å; E568-R571 IonicContact OE2-NH2 3.93Å; E568-R571 PolarHBondContact OE2-NH2 2.95Å
569	S	73.4	Confident	71.2	Confident	42 Å²	42	68.2 Å²	68.2	29%	0.294	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-79.7	-7.1	-178.1	-56.6	0	0	0	0	113.9	L567 R571 D572	L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 2.98Å; S569-R571 PolarHBondContact O-N 3.33Å; S569-R571 VanDerWaalsContact O-N 3.1Å; S569-D572 PolarHBondContact O-N 2.96Å
570	L	78	Confident	72.8	Confident	1 Å²	1	68 Å²	68	1%	0.005	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-56.8	-27.9	176.2	-81.9	177.6	0	0	0	112.9	Y543 L551 L567 E568 D572 L573 I592 L595	Y543-L570 HydrophobicContact CD1-CD2 3.78Å; Y543-L570 HydrophobicContact CD1-CG 4.04Å; Y543-L570 HydrophobicContact CE1-CD2 3.84Å; Y543-L570 HydrophobicContact CE1-CG 4.01Å; L551-L570 HydrophobicContact CD2-CD2 3.66Å; L567-L570 HydrophobicContact CB-CD1 4.17Å; L567-L570 HydrophobicContact CD2-CD1 3.78Å; L567-L570 HydrophobicContact CD2-CG 4.47Å; L567-L570 WeakPolarHBondContact O-CB 3.13Å; L567-L570 PolarHBondContact O-N 3.44Å; E568-L570 VanDerWaalsContact C-N 3.31Å; E568-L570 PolarHBondContact O-N 3.28Å; L570-D572 PolarHBondContact O-N 3.43Å; L570-L573 HydrophobicContact CD2-CD1 3.71Å; L570-L573 PolarHBondContact O-N 2.72Å; L570-L573 VanDerWaalsContact O-N 3.13Å; L570-I592 HydrophobicContact CD1-CG1 4.47Å; L570-L595 HydrophobicContact CB-CD1 4.14Å; L570-L595 WeakPolarHBondContact O-CD2 3.36Å
571	R	78.8	Confident	74.7	Confident	117 Å²	117	62.1 Å²	62.1	44%	0.442	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-55.9	-21.1	177.9	65.7	-171.9	157.9	-146.7	-19.4	114.6	E568 S569	E568-R571 WeakPolarHBondContact O-CD 3.5Å; E568-R571 WeakPolarHBondContact O-CG 3.43Å; E568-R571 PolarHBondContact O-NE 3.38Å; E568-R571 IonicContact OE2-CZ 3.54Å; E568-R571 IonicContact OE2-NH1 2.62Å; E568-R571 IonicContact OE2-NH2 3.93Å; E568-R571 PolarHBondContact OE2-NH2 2.95Å; S569-R571 PolarHBondContact O-N 3.33Å; S569-R571 VanDerWaalsContact O-N 3.1Å
572	D	81.4	Confident	76.7	Confident	71 Å²	71	58.3 Å²	58.3	38%	0.38	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-88	-9.8	-177.4	-67.5	-63	0	0	0	113.6	S569 L570 R574	S569-D572 PolarHBondContact O-N 2.96Å; L570-D572 PolarHBondContact O-N 3.43Å; D572-R574 VanDerWaalsContact C-N 3.26Å; D572-R574 PolarHBondContact O-N 3.48Å
573	L	85.2	Confident	78.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.264	C	S	.	.			trans	-79.2	62.6	177.4	-60.3	-178.7	0	0	0	112.8	Y543 L545 L548 L551 L570 H575 L576 L595	Y543-L573 WeakPolarHBondContact O-CD2 3.48Å; L545-L573 HydrophobicContact CB-CD2 4.43Å; L545-L573 WeakPolarHBondContact O-CD2 3.29Å; L548-L573 HydrophobicContact CD2-CD1 4.39Å; L551-L573 HydrophobicContact CD2-CD1 3.96Å; L570-L573 HydrophobicContact CD2-CD1 3.71Å; L570-L573 PolarHBondContact O-N 2.72Å; L570-L573 VanDerWaalsContact O-N 3.13Å; L573-H575 PolarHBondContact O-N 3.18Å; L573-L576 HydrophobicContact CB-CB 4.17Å; L573-L576 VanDerWaalsContact O-CB 3.29Å; L573-L576 WeakPolarHBondContact O-CB 3.48Å; L573-L576 PolarHBondContact O-N 3.34Å; L573-L576 VanDerWaalsContact O-N 3.08Å; L573-L595 HydrophobicContact CB-CD2 4.42Å; L573-L595 WeakPolarHBondContact O-CD2 3.32Å
574	R	82.7	Confident	80.2	Confident	158 Å²	158	54 Å²	54	60%	0.596	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.6	-170.9	-60.1	-178.7	-168.5	-174.4	2.3	116.1	D572 H598	D572-R574 VanDerWaalsContact C-N 3.26Å; D572-R574 PolarHBondContact O-N 3.48Å; R574-H598 PolarHBondContact O-CD2 3.03Å; R574-H598 PolarHBondContact O-ND1 2.75Å
575	H	87.8	Confident	81.9	Confident	105 Å²	105	49.2 Å²	49.2	49%	0.486	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	3.1	176.5	-64.2	115.9	0	0	0	113.9	K546 L548 L573 K577	K546-H575 PolarHBondContact O-ND1 3.13Å; L548-H575 CarbonylContact O-C 3.23Å; L573-H575 PolarHBondContact O-N 3.18Å; H575-K577 PolarHBondContact O-N 3.14Å
576	L	91.8	Very high	83.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.215	C	C	.	.			trans	-68.8	120.3	-177.5	-162.5	78	0	0	0	111.4	L548 L551 L573 L579 L595 H598 L599	L548-L576 HydrophobicContact CD2-CD1 4.27Å; L548-L576 HydrophobicContact CG-CD1 4.33Å; L548-L576 WeakPolarHBondContact O-CA 3.3Å; L548-L576 PolarHBondContact O-N 3.25Å; L551-L576 HydrophobicContact CB-CD1 3.65Å; L551-L576 HydrophobicContact CB-CD2 4.35Å; L573-L576 HydrophobicContact CB-CB 4.17Å; L573-L576 VanDerWaalsContact O-CB 3.29Å; L573-L576 WeakPolarHBondContact O-CB 3.48Å; L573-L576 PolarHBondContact O-N 3.34Å; L573-L576 VanDerWaalsContact O-N 3.08Å; L576-L579 HydrophobicContact CD2-CB 4.08Å; L576-L579 HydrophobicContact CD2-CD1 4.15Å; L576-L595 HydrophobicContact CD2-CD1 3.98Å; L576-H598 CarbonylContact O-C 3.44Å; L576-L599 HydrophobicContact CD2-CD1 4.14Å; L576-L599 HydrophobicContact CG-CD1 4.28Å
577	K	93.6	Very high	84.7	Confident	111 Å²	111	50.8 Å²	50.8	48%	0.483	24%	0.235	S	C	.	.			trans	-106.4	-33.5	178.5	-64.4	-174.2	-179.8	-174.1	0	112.7	R549 H575 V600 R601	R549-K577 PolarHBondContact O-N 2.7Å; H575-K577 PolarHBondContact O-N 3.14Å; K577-V600 HydrophobicContact CB-CG2 4.31Å; K577-V600 HydrophobicContact CG-CG2 4.44Å; K577-V600 PolarHBondContact O-N 2.91Å; K577-R601 PolarHBondContact O-N 2.66Å
578	I	95.3	Very high	85.5	Confident	28 Å²	28	50.1 Å²	50.1	14%	0.144	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.8	-178.3	-51.7	-168.4	0	0	0	108.9	R549 E550 L551 R601	R549-I578 PolarHBondContact O-N 3.33Å; E550-I578 WeakPolarHBondContact CA-O 3.32Å; E550-I578 HydrophobicContact CB-CB 4.19Å; E550-I578 HydrophobicContact CG-CB 3.98Å; E550-I578 HydrophobicContact CG-CD1 4.13Å; E550-I578 HydrophobicContact CG-CG1 4.12Å; L551-I578 PolarHBondContact N-O 3.4Å; I578-R601 WeakPolarHBondContact CA-O 3.4Å; I578-R601 HydrophobicContact CB-CB 4.48Å; I578-R601 HydrophobicContact CG1-CB 4.12Å; I578-R601 HydrophobicContact CG2-CB 4.23Å; I578-R601 HydrophobicContact CG2-CG 4.28Å
579	L	93.9	Very high	86.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.7	171.9	-179.5	64	0	0	0	108.6	L551 L576 L581 I592 L599 R601 L602 V603	L551-L579 HydrophobicContact CB-CD1 4.14Å; L551-L579 HydrophobicContact CD2-CD1 4.05Å; L551-L579 HydrophobicContact CG-CD1 4.17Å; L576-L579 HydrophobicContact CD2-CB 4.08Å; L576-L579 HydrophobicContact CD2-CD1 4.15Å; L579-L581 HydrophobicContact CD1-CD2 3.86Å; L579-L581 HydrophobicContact CD1-CG 4.42Å; L579-L581 HydrophobicContact CD2-CD1 4.3Å; L579-L581 HydrophobicContact CD2-CD2 4.44Å; L579-L581 HydrophobicContact CD2-CG 4.38Å; L579-L581 HydrophobicContact CG-CD2 4.08Å; L579-L581 HydrophobicContact CG-CG 4.09Å; L579-I592 HydrophobicContact CD2-CD1 4.48Å; L579-I592 HydrophobicContact CD2-CG1 4.11Å; L579-I592 HydrophobicContact CD2-CG2 3.78Å; L579-L599 HydrophobicContact CB-CD1 3.69Å; L579-L599 HydrophobicContact CB-CD2 4.15Å; L579-R601 PolarHBondContact N-O 3.29Å; L579-R601 VanDerWaalsContact N-O 3.1Å; L579-L602 HydrophobicContact CB-CD1 4.32Å; L579-L602 HydrophobicContact CD2-CD1 4.21Å; L579-L602 HydrophobicContact CG-CD1 4.39Å; L579-V603 PolarHBondContact O-N 2.81Å
580	H	94.7	Very high	86.3	Confident	36 Å²	36	50.4 Å²	50.4	17%	0.167	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.3	175.7	172.9	-68.6	0	0	0	109.7	L551 Y552 L553 V603	L551-H580 PolarHBondContact O-N 2.92Å; Y552-H580 CarbonylContact C-O 3.53Å; Y552-H580 WeakPolarHBondContact CA-O 3.36Å; Y552-H580 HydrophobicContact CD1-CB 3.35Å; Y552-H580 AromaticContact CD1-CG 3.53Å; Y552-H580 AromaticContact CD1-ND1 3.97Å; Y552-H580 HydrophobicContact CE1-CB 3.8Å; Y552-H580 HydrophobicContact CG-CB 3.99Å; L553-H580 PolarHBondContact N-O 3.32Å; H580-V603 WeakPolarHBondContact CA-O 3.3Å; H580-V603 HydrophobicContact CB-CB 4.14Å
581	L	91.8	Very high	86.3	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.9	178.5	-57.2	-179.5	0	0	0	109.5	L553 L579 L585 I592 V603 I604 H605	L553-L581 HydrophobicContact CB-CD2 3.84Å; L553-L581 HydrophobicContact CD1-CD2 3.91Å; L553-L581 HydrophobicContact CG-CD2 4.18Å; L553-L581 WeakPolarHBondContact O-CA 3.46Å; L579-L581 HydrophobicContact CD1-CD2 3.86Å; L579-L581 HydrophobicContact CD1-CG 4.42Å; L579-L581 HydrophobicContact CD2-CD1 4.3Å; L579-L581 HydrophobicContact CD2-CD2 4.44Å; L579-L581 HydrophobicContact CD2-CG 4.38Å; L579-L581 HydrophobicContact CG-CD2 4.08Å; L579-L581 HydrophobicContact CG-CG 4.09Å; L581-L585 HydrophobicContact CD1-CD1 4.19Å; L581-I592 HydrophobicContact CD1-CD1 3.52Å; L581-V603 PolarHBondContact N-O 2.82Å; L581-I604 CarbonylContact O-C 3.58Å; L581-I604 WeakPolarHBondContact O-CA 3.49Å; L581-H605 PolarHBondContact O-N 2.95Å
582	K	92.3	Very high	86.4	Confident	60 Å²	60	45.8 Å²	45.8	26%	0.261	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	105.8	165.2	178.1	167.7	178.9	157.7	0	109	L553 V554 G555 H605 D607	L553-K582 PolarHBondContact O-N 3.42Å; V554-K582 WeakPolarHBondContact CA-O 3.45Å; V554-K582 HydrophobicContact CB-CB 4.42Å; V554-K582 HydrophobicContact CG1-CB 4.11Å; V554-K582 HydrophobicContact CG1-CD 4.21Å; V554-K582 HydrophobicContact CG1-CG 4.25Å; V554-K582 HydrophobicContact CG2-CB 4.18Å; G555-K582 PolarHBondContact N-O 3.26Å; K582-H605 WeakPolarHBondContact CA-O 3.38Å; K582-H605 HydrophobicContact CB-CB 4.22Å; K582-H605 HydrophobicContact CG-CB 4.18Å; K582-D607 WeakPolarHBondContact CE-OD1 3.33Å; K582-D607 WeakPolarHBondContact CE-OD2 3.45Å; K582-D607 IonicContact NZ-OD1 2.77Å; K582-D607 PolarHBondContact NZ-OD1 3.21Å; K582-D607 IonicContact NZ-OD2 3.47Å; K582-D607 PolarHBondContact NZ-OD2 2.86Å
583	S	88.4	Confident	86.2	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	-168.5	155.9	-169.5	172.8	0	0	0	0	111.1	G555 L557 L585 H605 N606	G555-S583 VanDerWaalsContact O-CA 3.32Å; G555-S583 WeakPolarHBondContact O-CA 3.32Å; G555-S583 WeakPolarHBondContact O-CB 3.45Å; G555-S583 PolarHBondContact O-OG 2.69Å; L557-S583 WeakPolarHBondContact CB-OG 3.27Å; L557-S583 PolarHBondContact N-OG 3.13Å; S583-L585 VanDerWaalsContact C-N 3.3Å; S583-L585 PolarHBondContact O-N 2.73Å; S583-H605 PolarHBondContact N-O 2.62Å; S583-H605 VanDerWaalsContact N-O 3.12Å; S583-N606 WeakPolarHBondContact O-CA 3.27Å; S583-N606 PolarHBondContact O-OD1 2.96Å
584	N	86.4	Confident	86	Confident	62 Å²	62	46.4 Å²	46.4	33%	0.332	22%	0.224	S	C	.	.			trans	-79.4	64	178.1	-63.7	-2	0	0	0	112.6	N558 T609	N558-N584 VanDerWaalsContact CB-O 3.22Å; N558-N584 WeakPolarHBondContact CB-O 3.24Å; N584-T609 WeakPolarHBondContact CA-OG1 3.4Å; N584-T609 WeakPolarHBondContact CB-OG1 3.34Å
585	L	84.4	Confident	85.9	Confident	7 Å²	7	39 Å²	39	4%	0.037	20%	0.197	C	C	.	.			trans	-80.4	123.7	-173.4	-56.7	175	0	0	0	112.5	L557 L581 S583 I604 N606 L611	L557-L585 HydrophobicContact CB-CD2 4.01Å; L557-L585 HydrophobicContact CD1-CD2 4.16Å; L581-L585 HydrophobicContact CD1-CD1 4.19Å; S583-L585 VanDerWaalsContact C-N 3.3Å; S583-L585 PolarHBondContact O-N 2.73Å; L585-I604 HydrophobicContact CD1-CG2 4.19Å; L585-N606 WeakPolarHBondContact CA-OD1 3.45Å; L585-N606 VanDerWaalsContact CB-OD1 3.27Å; L585-N606 WeakPolarHBondContact CB-OD1 3.43Å; L585-N606 PolarHBondContact N-OD1 2.87Å; L585-N606 PolarHBondContact O-ND2 3.05Å; L585-N606 PolarHBondContact O-OD1 3Å; L585-L611 HydrophobicContact CB-CD1 4.36Å; L585-L611 WeakPolarHBondContact O-CD1 3.33Å
586	T	84.2	Confident	85.5	Confident	54 Å²	54	34.6 Å²	34.6	33%	0.331	18%	0.178	S	C	.	.	S	Bend	trans	-79.4	-25.1	172.5	56.5	0	0	0	0	113.2	T609 L612	T586-T609 HydrophobicContact CG2-CG2 4.31Å; T586-L612 PolarHBondContact O-N 2.7Å
587	K	83.3	Confident	85.1	Confident	123 Å²	123	37.9 Å²	37.9	54%	0.535	20%	0.199	S	C	.	.	S	Bend	trans	-149.7	152.4	179.4	-58.8	179.6	-174	171.4	0	108.5	P589 V613	K587-P589 VanDerWaalsContact O-CD 3.29Å; K587-P589 WeakPolarHBondContact O-CD 2.78Å; K587-V613 HydrophobicContact CB-CB 4.37Å; K587-V613 HydrophobicContact CD-CB 4.25Å; K587-V613 HydrophobicContact CD-CG2 3.93Å; K587-V613 HydrophobicContact CG-CB 3.99Å; K587-V613 HydrophobicContact CG-CG2 3.96Å
588	I	82.4	Confident	84.8	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.031	19%	0.194	C	C	.	.			trans	-75.1	121.6	170.3	-59.4	-178.1	0	0	0	109	I592 I604 L611 L614 L617	I588-I592 HydrophobicContact CG2-CB 4.46Å; I588-I592 HydrophobicContact CG2-CD1 4.03Å; I588-I604 HydrophobicContact CD1-CD1 3.6Å; I588-I604 HydrophobicContact CG1-CD1 3.79Å; I588-L611 HydrophobicContact CD1-CD2 4.49Å; I588-L611 HydrophobicContact CG1-CD1 4.18Å; I588-L611 HydrophobicContact CG1-CD2 4.24Å; I588-L614 HydrophobicContact CD1-CD2 3.4Å; I588-L614 VanDerWaalsContact CD1-CD2 3.4Å; I588-L614 HydrophobicContact CG1-CD2 3.9Å; I588-L617 HydrophobicContact CD1-CD1 4.45Å; I588-L617 HydrophobicContact CD1-CD2 3.66Å; I588-L617 HydrophobicContact CD1-CG 3.98Å
589	P	78.9	Confident	84.6	Confident	29 Å²	29	35.2 Å²	35.2	19%	0.188	19%	0.187	C	C	.	.			trans	-53.3	138.2	174.8	-29.1	34.8	0	0	0	113.7	L567 K587 N591 I592	L567-P589 HydrophobicContact CD1-CB 4.14Å; L567-P589 HydrophobicContact CD1-CG 3.69Å; K587-P589 VanDerWaalsContact O-CD 3.29Å; K587-P589 WeakPolarHBondContact O-CD 2.78Å; P589-N591 PolarHBondContact O-N 2.91Å; P589-I592 HydrophobicContact CB-CD1 4.07Å; P589-I592 HydrophobicContact CB-CG1 4.38Å; P589-I592 HydrophobicContact CG-CD1 4.04Å; P589-I592 PolarHBondContact O-N 3.26Å
590	T	77.8	Confident	84.6	Confident	84 Å²	84	38 Å²	38	52%	0.515	20%	0.204	S	C	.	.	H	α-helix	trans	-62.6	-30.3	180	37.5	0	0	0	0	112.9	I592 T593 T616	T590-I592 PolarHBondContact O-N 2.94Å; T590-T593 WeakPolarHBondContact O-CA 3.43Å; T590-T593 VanDerWaalsContact O-CB 3.32Å; T590-T593 WeakPolarHBondContact O-CB 3.24Å; T590-T593 PolarHBondContact O-N 3.35Å; T590-T593 PolarHBondContact O-OG1 3.38Å; T590-T616 HydrophobicContact CG2-CG2 4.3Å
591	N	77.4	Confident	84.7	Confident	21 Å²	21	40 Å²	40	11%	0.112	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-29.1	-179.2	-45.7	79	0	0	0	112.5	L567 P589 T593 D594	L567-N591 WeakPolarHBondContact O-CB 3.43Å; P589-N591 PolarHBondContact O-N 2.91Å; N591-T593 VanDerWaalsContact C-N 3.29Å; N591-T593 PolarHBondContact O-N 2.9Å; N591-D594 PolarHBondContact O-N 2.87Å
592	I	81.1	Confident	84.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-69.3	-30.3	172.7	-58.8	162.7	0	0	0	110.8	L570 L579 L581 I588 P589 T590 D594 L595 L602 M620	L570-I592 HydrophobicContact CD1-CG1 4.47Å; L579-I592 HydrophobicContact CD2-CD1 4.48Å; L579-I592 HydrophobicContact CD2-CG1 4.11Å; L579-I592 HydrophobicContact CD2-CG2 3.78Å; L581-I592 HydrophobicContact CD1-CD1 3.52Å; I588-I592 HydrophobicContact CG2-CB 4.46Å; I588-I592 HydrophobicContact CG2-CD1 4.03Å; P589-I592 HydrophobicContact CB-CD1 4.07Å; P589-I592 HydrophobicContact CB-CG1 4.38Å; P589-I592 HydrophobicContact CG-CD1 4.04Å; P589-I592 PolarHBondContact O-N 3.26Å; T590-I592 PolarHBondContact O-N 2.94Å; I592-D594 PolarHBondContact O-N 3.07Å; I592-L595 WeakPolarHBondContact O-CB 3.26Å; I592-L595 PolarHBondContact O-N 3.47Å; I592-L602 HydrophobicContact CG2-CD1 4.36Å; I592-M620 HydrophobicContact CG2-CE 3.97Å
593	T	77.8	Confident	85	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-71.5	-18.3	177.1	75.4	0	0	0	0	113.1	T590 N591 L595 S596 T616 K619	T590-T593 WeakPolarHBondContact O-CA 3.43Å; T590-T593 VanDerWaalsContact O-CB 3.32Å; T590-T593 WeakPolarHBondContact O-CB 3.24Å; T590-T593 PolarHBondContact O-N 3.35Å; T590-T593 PolarHBondContact O-OG1 3.38Å; N591-T593 VanDerWaalsContact C-N 3.29Å; N591-T593 PolarHBondContact O-N 2.9Å; T593-L595 VanDerWaalsContact C-N 3.34Å; T593-S596 WeakPolarHBondContact O-CB 3.37Å; T593-S596 PolarHBondContact O-N 3.47Å; T593-T616 HydrophobicContact CG2-CG2 3.93Å; T593-T616 WeakPolarHBondContact CG2-O 3.45Å; T593-K619 VanDerWaalsContact CB-CD 3.42Å; T593-K619 HydrophobicContact CG2-CD 4.2Å; T593-K619 WeakPolarHBondContact OG1-CD 3.23Å; T593-K619 PolarHBondContact OG1-NZ 3.29Å
594	D	79.3	Confident	85.2	Confident	80 Å²	80	37 Å²	37	43%	0.428	20%	0.197	S	C	.	.	H	α-helix	trans	-82.1	-18.1	177.1	-52.2	-35.4	0	0	0	111.2	N591 I592 S596 P597 K619	N591-D594 PolarHBondContact O-N 2.87Å; I592-D594 PolarHBondContact O-N 3.07Å; D594-S596 VanDerWaalsContact C-N 3.26Å; D594-S596 PolarHBondContact O-N 3.26Å; D594-P597 WeakPolarHBondContact O-CD 3.31Å; D594-K619 IonicContact OD1-NZ 3.38Å; D594-K619 PolarHBondContact OD1-NZ 3.09Å
595	L	82.3	Confident	85.5	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.016	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.5	166.1	-73.7	170.4	0	0	0	114.1	L570 L573 L576 I592 T593 P597 H598 L599	L570-L595 HydrophobicContact CB-CD1 4.14Å; L570-L595 WeakPolarHBondContact O-CD2 3.36Å; L573-L595 HydrophobicContact CB-CD2 4.42Å; L573-L595 WeakPolarHBondContact O-CD2 3.32Å; L576-L595 HydrophobicContact CD2-CD1 3.98Å; I592-L595 WeakPolarHBondContact O-CB 3.26Å; I592-L595 PolarHBondContact O-N 3.47Å; T593-L595 VanDerWaalsContact C-N 3.34Å; L595-P597 VanDerWaalsContact O-N 3.17Å; L595-H598 PolarHBondContact O-N 3.11Å; L595-H598 VanDerWaalsContact O-N 3.11Å; L595-L599 PolarHBondContact O-N 3.35Å; L595-L599 VanDerWaalsContact O-N 3.15Å
596	S	79.7	Confident	85.8	Confident	12 Å²	12	36 Å²	36	8%	0.084	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.6	-48.2	177	165.9	0	0	0	0	116.4	T593 D594 H598 K619 M620	T593-S596 WeakPolarHBondContact O-CB 3.37Å; T593-S596 PolarHBondContact O-N 3.47Å; D594-S596 VanDerWaalsContact C-N 3.26Å; D594-S596 PolarHBondContact O-N 3.26Å; S596-H598 PolarHBondContact O-N 3.3Å; S596-H598 VanDerWaalsContact O-N 3.16Å; S596-K619 WeakPolarHBondContact CB-O 3.2Å; S596-K619 PolarHBondContact OG-O 3.16Å; S596-M620 WeakPolarHBondContact OG-CA 3.3Å
597	P	82.9	Confident	85.8	Confident	68 Å²	68	36.7 Å²	36.7	44%	0.442	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.6	-173.7	24.8	-34.5	0	0	0	114.3	D594 L595 N622	D594-P597 WeakPolarHBondContact O-CD 3.31Å; L595-P597 VanDerWaalsContact O-N 3.17Å; P597-N622 PolarHBondContact O-ND2 3.12Å
598	H	87	Confident	85.6	Confident	83 Å²	83	32.2 Å²	32.2	38%	0.384	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-27.1	-173.8	-55	-54	0	0	0	113.5	R574 L576 L595 S596 V600	R574-H598 PolarHBondContact O-CD2 3.03Å; R574-H598 PolarHBondContact O-ND1 2.75Å; L576-H598 CarbonylContact O-C 3.44Å; L595-H598 PolarHBondContact O-N 3.11Å; L595-H598 VanDerWaalsContact O-N 3.11Å; S596-H598 PolarHBondContact O-N 3.3Å; S596-H598 VanDerWaalsContact O-N 3.16Å; H598-V600 PolarHBondContact O-N 3.15Å
599	L	91.1	Very high	85.8	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.188	C	C	.	.			trans	-73.9	125.8	-175.3	-155.5	78	0	0	0	112.5	L576 L579 L595 L602 M620 L623	L576-L599 HydrophobicContact CD2-CD1 4.14Å; L576-L599 HydrophobicContact CG-CD1 4.28Å; L579-L599 HydrophobicContact CB-CD1 3.69Å; L579-L599 HydrophobicContact CB-CD2 4.15Å; L595-L599 PolarHBondContact O-N 3.35Å; L595-L599 VanDerWaalsContact O-N 3.15Å; L599-L602 HydrophobicContact CD2-CB 3.88Å; L599-L602 HydrophobicContact CD2-CD1 4.07Å; L599-L602 HydrophobicContact CD2-CG 4.46Å; L599-M620 HydrophobicContact CD2-CE 3.54Å; L599-L623 HydrophobicContact CD2-CD1 4.13Å; L599-L623 HydrophobicContact CG-CD1 4.31Å
600	V	94.5	Very high	86.1	Confident	57 Å²	57	36.1 Å²	36.1	35%	0.345	20%	0.197	S	C	.	.			trans	-104.3	-37.3	-179.6	-177.1	0	0	0	0	111.2	K577 H598 L623 A624 E625	K577-V600 HydrophobicContact CB-CG2 4.31Å; K577-V600 HydrophobicContact CG-CG2 4.44Å; K577-V600 PolarHBondContact O-N 2.91Å; H598-V600 PolarHBondContact O-N 3.15Å; V600-L623 WeakPolarHBondContact O-CD1 3.48Å; V600-A624 HydrophobicContact CG1-CB 3.8Å; V600-A624 PolarHBondContact O-N 3.06Å; V600-E625 PolarHBondContact O-N 3.32Å
601	R	95.9	Very high	86.5	Confident	78 Å²	78	32.5 Å²	32.5	29%	0.294	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.6	178.6	-176.9	179.7	-171.8	171.1	-2.2	111.2	K577 I578 L579 V603 E625 E627	K577-R601 PolarHBondContact O-N 2.66Å; I578-R601 WeakPolarHBondContact CA-O 3.4Å; I578-R601 HydrophobicContact CB-CB 4.48Å; I578-R601 HydrophobicContact CG1-CB 4.12Å; I578-R601 HydrophobicContact CG2-CB 4.23Å; I578-R601 HydrophobicContact CG2-CG 4.28Å; L579-R601 PolarHBondContact N-O 3.29Å; L579-R601 VanDerWaalsContact N-O 3.1Å; R601-V603 HydrophobicContact CG-CG2 4.11Å; R601-E625 WeakPolarHBondContact CA-O 3.37Å; R601-E625 HydrophobicContact CB-CB 3.99Å; R601-E625 WeakPolarHBondContact CD-OE2 3.46Å; R601-E625 HydrophobicContact CG-CB 3.78Å; R601-E625 IonicContact CZ-OE2 2.73Å; R601-E625 IonicContact NE-OE2 2.64Å; R601-E625 PolarHBondContact NE-OE2 3.2Å; R601-E625 IonicContact NH1-OE2 3.92Å; R601-E627 IonicContact CZ-OE1 3.1Å; R601-E627 IonicContact NE-OE1 3.86Å; R601-E627 PolarHBondContact NE-OE1 3.2Å; R601-E627 IonicContact NH2-OE1 2.72Å; R601-E627 PolarHBondContact NH2-OE1 3.05Å; R601-E627 IonicContact NH2-OE2 2.93Å
602	L	94.8	Very high	86.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.8	174.6	177.4	64.6	0	0	0	109	L579 I592 L599 I604 L617 M620 L623 E625 L626 E627	L579-L602 HydrophobicContact CB-CD1 4.32Å; L579-L602 HydrophobicContact CD2-CD1 4.21Å; L579-L602 HydrophobicContact CG-CD1 4.39Å; I592-L602 HydrophobicContact CG2-CD1 4.36Å; L599-L602 HydrophobicContact CD2-CB 3.88Å; L599-L602 HydrophobicContact CD2-CD1 4.07Å; L599-L602 HydrophobicContact CD2-CG 4.46Å; L602-I604 HydrophobicContact CD1-CD1 4.47Å; L602-I604 HydrophobicContact CD1-CG1 4.21Å; L602-I604 HydrophobicContact CD2-CD1 4.24Å; L602-I604 HydrophobicContact CG-CD1 4.4Å; L602-I604 HydrophobicContact CG-CG1 4.19Å; L602-L617 HydrophobicContact CD2-CD2 4.02Å; L602-M620 HydrophobicContact CD2-CE 4.04Å; L602-M620 HydrophobicContact CD2-SD 3.94Å; L602-L623 HydrophobicContact CB-CD1 3.79Å; L602-L623 HydrophobicContact CB-CD2 4.07Å; L602-E625 PolarHBondContact N-O 3.5Å; L602-L626 HydrophobicContact CB-CD1 4.27Å; L602-L626 HydrophobicContact CD2-CD1 4.08Å; L602-L626 HydrophobicContact CG-CD1 4.35Å; L602-E627 PolarHBondContact O-N 3.25Å
603	V	95.3	Very high	86.1	Confident	3 Å²	3	40 Å²	40	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.9	173.9	-168.1	0	0	0	0	109.1	L579 H580 L581 R601 E627 H629	L579-V603 PolarHBondContact O-N 2.81Å; H580-V603 WeakPolarHBondContact CA-O 3.3Å; H580-V603 HydrophobicContact CB-CB 4.14Å; L581-V603 PolarHBondContact N-O 2.82Å; R601-V603 HydrophobicContact CG-CG2 4.11Å; V603-E627 CarbonylContact C-O 3.35Å; V603-E627 WeakPolarHBondContact CA-O 3.43Å; V603-E627 HydrophobicContact CB-CB 4.13Å; V603-E627 HydrophobicContact CG1-CB 3.81Å; V603-E627 HydrophobicContact CG2-CB 4.06Å; V603-E627 HydrophobicContact CG2-CG 4.39Å; V603-E627 VanDerWaalsContact CG2-OE1 3.22Å; V603-E627 WeakPolarHBondContact CG2-OE1 3.21Å; V603-H629 VanDerWaalsContact CG1-NE2 3.33Å; V603-H629 WeakPolarHBondContact CG1-NE2 3.5Å
604	I	92.9	Very high	86.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.8	171.1	-55.5	-176.1	0	0	0	108	L581 L585 I588 L602 E627 L628 H629	L581-I604 CarbonylContact O-C 3.58Å; L581-I604 WeakPolarHBondContact O-CA 3.49Å; L585-I604 HydrophobicContact CD1-CG2 4.19Å; I588-I604 HydrophobicContact CD1-CD1 3.6Å; I588-I604 HydrophobicContact CG1-CD1 3.79Å; L602-I604 HydrophobicContact CD1-CD1 4.47Å; L602-I604 HydrophobicContact CD1-CG1 4.21Å; L602-I604 HydrophobicContact CD2-CD1 4.24Å; L602-I604 HydrophobicContact CG-CD1 4.4Å; L602-I604 HydrophobicContact CG-CG1 4.19Å; I604-E627 PolarHBondContact N-O 3.48Å; I604-L628 HydrophobicContact CB-CD2 3.9Å; I604-L628 HydrophobicContact CD1-CD2 4.01Å; I604-L628 HydrophobicContact CG1-CD2 4.11Å; I604-L628 CarbonylContact O-C 3.54Å; I604-H629 PolarHBondContact O-N 2.97Å
605	H	93.6	Very high	86.4	Confident	48 Å²	48	41.3 Å²	41.3	22%	0.222	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.5	170.5	-170.5	172.4	0	0	0	108.7	L581 K582 S583 D607 H629	L581-H605 PolarHBondContact O-N 2.95Å; K582-H605 WeakPolarHBondContact CA-O 3.38Å; K582-H605 HydrophobicContact CB-CB 4.22Å; K582-H605 HydrophobicContact CG-CB 4.18Å; S583-H605 PolarHBondContact N-O 2.62Å; S583-H605 VanDerWaalsContact N-O 3.12Å; H605-D607 IonicContact CD2-OD1 3.47Å; H605-D607 IonicContact NE2-OD1 3.2Å; H605-H629 WeakPolarHBondContact CA-O 3.4Å; H605-H629 HydrophobicContact CB-CB 4.33Å; H605-H629 AromaticContact CG-CE1 3.93Å
606	N	89	Confident	86.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.			trans	-99.4	8	-164.7	-133.9	40.5	0	0	0	115.6	S583 L585 G608 T609 H629 N630 C631	S583-N606 WeakPolarHBondContact O-CA 3.27Å; S583-N606 PolarHBondContact O-OD1 2.96Å; L585-N606 WeakPolarHBondContact CA-OD1 3.45Å; L585-N606 VanDerWaalsContact CB-OD1 3.27Å; L585-N606 WeakPolarHBondContact CB-OD1 3.43Å; L585-N606 PolarHBondContact N-OD1 2.87Å; L585-N606 PolarHBondContact O-ND2 3.05Å; L585-N606 PolarHBondContact O-OD1 3Å; N606-G608 PolarHBondContact O-N 3.16Å; N606-T609 PolarHBondContact ND2-O 3.06Å; N606-T609 WeakPolarHBondContact O-CB 3.38Å; N606-T609 PolarHBondContact O-N 2.57Å; N606-T609 PolarHBondContact O-OG1 3.44Å; N606-H629 PolarHBondContact N-O 2.88Å; N606-N630 CarbonylContact C-O 3.21Å; N606-N630 WeakPolarHBondContact CB-O 3.11Å; N606-C631 HydrophobicContact CB-CB 4.29Å
607	D	85.6	Confident	86.8	Confident	70 Å²	70	41.9 Å²	41.9	37%	0.374	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	32.9	-179.8	-75.4	-31.2	0	0	0	115.6	K582 H605	K582-D607 WeakPolarHBondContact CE-OD1 3.33Å; K582-D607 WeakPolarHBondContact CE-OD2 3.45Å; K582-D607 IonicContact NZ-OD1 2.77Å; K582-D607 PolarHBondContact NZ-OD1 3.21Å; K582-D607 IonicContact NZ-OD2 3.47Å; K582-D607 PolarHBondContact NZ-OD2 2.86Å; H605-D607 IonicContact CD2-OD1 3.47Å; H605-D607 IonicContact NE2-OD1 3.2Å
608	G	78.7	Confident	87	Confident	29 Å²	29	42.6 Å²	42.6	30%	0.299	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	13	179.1	0	0	0	0	0	114.6	N606 N630 E632	N606-G608 PolarHBondContact O-N 3.16Å; G608-N630 WeakPolarHBondContact CA-O 3.31Å; G608-N630 VanDerWaalsContact N-CG 3.33Å; G608-N630 PolarHBondContact N-ND2 2.93Å; G608-N630 PolarHBondContact N-O 2.98Å; G608-N630 PolarHBondContact N-OD1 2.83Å; G608-E632 VanDerWaalsContact O-CD 3.32Å; G608-E632 WeakPolarHBondContact O-CG 3.35Å
609	T	85.8	Confident	86.9	Confident	32 Å²	32	43.9 Å²	43.9	20%	0.196	23%	0.226	C	C	.	.			trans	-84.3	136.3	171.5	-56.2	0	0	0	0	110.8	N584 T586 N606 L611 C631	N584-T609 WeakPolarHBondContact CA-OG1 3.4Å; N584-T609 WeakPolarHBondContact CB-OG1 3.34Å; T586-T609 HydrophobicContact CG2-CG2 4.31Å; N606-T609 PolarHBondContact ND2-O 3.06Å; N606-T609 WeakPolarHBondContact O-CB 3.38Å; N606-T609 PolarHBondContact O-N 2.57Å; N606-T609 PolarHBondContact O-OG1 3.44Å; T609-L611 PolarHBondContact O-N 3.16Å; T609-C631 CarbonylContact O-C 3.45Å
610	K	86.8	Confident	86.8	Confident	85 Å²	85	43.9 Å²	43.9	37%	0.37	23%	0.226	S	C	.	.			trans	-72.8	118.7	176.6	-161	164.1	-168.6	167.6	0	113.1	L612 E632 E634	K610-L612 HydrophobicContact CD-CD2 4.04Å; K610-L612 HydrophobicContact CG-CD2 3.96Å; K610-L612 HydrophobicContact CG-CG 4.44Å; K610-L612 PolarHBondContact O-N 3.08Å; K610-E632 HydrophobicContact CB-CB 4.22Å; K610-E632 WeakPolarHBondContact CB-OE2 3.34Å; K610-E632 HydrophobicContact CG-CB 4.19Å; K610-E634 IonicContact NZ-OE1 3.87Å; K610-E634 PolarHBondContact NZ-OE1 3.22Å
611	L	85.6	Confident	86.4	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.042	23%	0.231	C	C	.	.			trans	-88.6	93.6	-178.8	-168.8	53.3	0	0	0	111.2	L585 I588 T609 L614 C631	L585-L611 HydrophobicContact CB-CD1 4.36Å; L585-L611 WeakPolarHBondContact O-CD1 3.33Å; I588-L611 HydrophobicContact CD1-CD2 4.49Å; I588-L611 HydrophobicContact CG1-CD1 4.18Å; I588-L611 HydrophobicContact CG1-CD2 4.24Å; T609-L611 PolarHBondContact O-N 3.16Å; L611-L614 HydrophobicContact CD2-CD2 3.68Å; L611-L614 HydrophobicContact CG-CD1 4.5Å; L611-L614 HydrophobicContact CG-CD2 3.78Å; L611-L614 HydrophobicContact CG-CG 4.25Å; L611-C631 HydrophobicContact CB-CB 4.15Å; L611-C631 HydrophobicContact CD2-CB 4.35Å; L611-C631 PolarHBondContact N-O 3.36Å
612	L	75.4	Confident	86.1	Confident	122 Å²	122	45 Å²	45	64%	0.639	24%	0.235	S	C	*	.			trans	-82.7	-19.6	-163	-70	170.7	0	0	0	115.9	T586 K610	T586-L612 PolarHBondContact O-N 2.7Å; K610-L612 HydrophobicContact CD-CD2 4.04Å; K610-L612 HydrophobicContact CG-CD2 3.96Å; K610-L612 HydrophobicContact CG-CG 4.44Å; K610-L612 PolarHBondContact O-N 3.08Å
613	V	74.6	Confident	86.1	Confident	56 Å²	56	45 Å²	45	34%	0.339	24%	0.235	S	C	.	.			trans	-134.9	113.9	-176.5	-176.2	0	0	0	0	111	K587	K587-V613 HydrophobicContact CB-CB 4.37Å; K587-V613 HydrophobicContact CD-CB 4.25Å; K587-V613 HydrophobicContact CD-CG2 3.93Å; K587-V613 HydrophobicContact CG-CB 3.99Å; K587-V613 HydrophobicContact CG-CG2 3.96Å
614	L	81.7	Confident	86.1	Confident	17 Å²	17	45.3 Å²	45.3	9%	0.089	24%	0.238	C	C	.	.			trans	-124.6	2.5	-174.9	-69.8	173.4	0	0	0	114.3	I588 L611 T616 L617 L633 P637 A639	I588-L614 HydrophobicContact CD1-CD2 3.4Å; I588-L614 VanDerWaalsContact CD1-CD2 3.4Å; I588-L614 HydrophobicContact CG1-CD2 3.9Å; L611-L614 HydrophobicContact CD2-CD2 3.68Å; L611-L614 HydrophobicContact CG-CD1 4.5Å; L611-L614 HydrophobicContact CG-CD2 3.78Å; L611-L614 HydrophobicContact CG-CG 4.25Å; L614-T616 PolarHBondContact O-N 3.04Å; L614-T616 VanDerWaalsContact O-N 3.11Å; L614-L617 HydrophobicContact CB-CD1 4.4Å; L614-L617 HydrophobicContact CD2-CD1 4.05Å; L614-L617 HydrophobicContact CD2-CG 4.43Å; L614-L617 WeakPolarHBondContact O-CB 3.35Å; L614-L617 PolarHBondContact O-N 3.39Å; L614-L633 HydrophobicContact CD1-CD2 3.82Å; L614-P637 HydrophobicContact CB-CB 4.17Å; L614-P637 HydrophobicContact CD1-CB 3.75Å; L614-P637 HydrophobicContact CD1-CG 3.35Å; L614-A639 WeakPolarHBondContact O-CB 3.47Å
615	N	82.4	Confident	86.3	Confident	95 Å²	95	48.4 Å²	48.4	51%	0.508	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-57.9	-24.5	175	-73.1	-20.1	0	0	0	113.1	L617 K618 H638	N615-L617 VanDerWaalsContact C-N 3.27Å; N615-L617 PolarHBondContact O-N 3.3Å; N615-K618 WeakPolarHBondContact O-CB 3.2Å; N615-K618 WeakPolarHBondContact O-CG 3.35Å; N615-K618 PolarHBondContact O-N 3.31Å; N615-H638 PolarHBondContact OD1-CE1 2.84Å; N615-H638 PolarHBondContact OD1-NE2 3.46Å
616	T	82.7	Confident	86.4	Confident	27 Å²	27	46.1 Å²	46.1	17%	0.166	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.9	-34.9	172.3	34.8	0	0	0	0	113.4	T590 T593 L614 K618 K619	T590-T616 HydrophobicContact CG2-CG2 4.3Å; T593-T616 HydrophobicContact CG2-CG2 3.93Å; T593-T616 WeakPolarHBondContact CG2-O 3.45Å; L614-T616 PolarHBondContact O-N 3.04Å; L614-T616 VanDerWaalsContact O-N 3.11Å; T616-K618 PolarHBondContact O-N 2.9Å; T616-K618 VanDerWaalsContact O-N 3.15Å; T616-K619 PolarHBondContact O-N 3.22Å
617	L	85.9	Confident	86.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-59.7	-26.7	179.2	-67.8	178.3	0	0	0	112.9	I588 L602 L614 N615 K619 M620 L626 L628 A639 I640 L643	I588-L617 HydrophobicContact CD1-CD1 4.45Å; I588-L617 HydrophobicContact CD1-CD2 3.66Å; I588-L617 HydrophobicContact CD1-CG 3.98Å; L602-L617 HydrophobicContact CD2-CD2 4.02Å; L614-L617 HydrophobicContact CB-CD1 4.4Å; L614-L617 HydrophobicContact CD2-CD1 4.05Å; L614-L617 HydrophobicContact CD2-CG 4.43Å; L614-L617 WeakPolarHBondContact O-CB 3.35Å; L614-L617 PolarHBondContact O-N 3.39Å; N615-L617 VanDerWaalsContact C-N 3.27Å; N615-L617 PolarHBondContact O-N 3.3Å; L617-K619 PolarHBondContact O-N 2.94Å; L617-M620 HydrophobicContact CD2-SD 3.95Å; L617-M620 WeakPolarHBondContact O-CB 3.34Å; L617-M620 PolarHBondContact O-N 3.29Å; L617-L626 HydrophobicContact CD1-CD2 4.2Å; L617-L628 HydrophobicContact CD1-CD1 4.4Å; L617-A639 HydrophobicContact CB-CB 4.14Å; L617-I640 HydrophobicContact CD1-CG1 4.13Å; L617-L643 WeakPolarHBondContact O-CD2 3.13Å
618	K	86.8	Confident	87.1	Confident	84 Å²	84	43.3 Å²	43.3	37%	0.365	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-58.5	-23.2	179.6	-63.1	-173.6	-178.5	176.6	0	113.6	N615 T616 H638 A639	N615-K618 WeakPolarHBondContact O-CB 3.2Å; N615-K618 WeakPolarHBondContact O-CG 3.35Å; N615-K618 PolarHBondContact O-N 3.31Å; T616-K618 PolarHBondContact O-N 2.9Å; T616-K618 VanDerWaalsContact O-N 3.15Å; K618-H638 WeakPolarHBondContact CE-NE2 3.37Å; K618-H638 PolarHBondContact NZ-CD2 3.05Å; K618-H638 PolarHBondContact NZ-NE2 3.16Å; K618-A639 HydrophobicContact CD-CB 4.49Å; K618-A639 HydrophobicContact CG-CB 3.7Å
619	K	86.8	Confident	87.8	Confident	110 Å²	110	43 Å²	43	48%	0.478	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-73	-25	174.3	-78.7	179.3	162.8	-165.5	0	113.3	T593 D594 S596 T616 L617 I621	T593-K619 VanDerWaalsContact CB-CD 3.42Å; T593-K619 HydrophobicContact CG2-CD 4.2Å; T593-K619 WeakPolarHBondContact OG1-CD 3.23Å; T593-K619 PolarHBondContact OG1-NZ 3.29Å; D594-K619 IonicContact OD1-NZ 3.38Å; D594-K619 PolarHBondContact OD1-NZ 3.09Å; S596-K619 WeakPolarHBondContact CB-O 3.2Å; S596-K619 PolarHBondContact OG-O 3.16Å; T616-K619 PolarHBondContact O-N 3.22Å; L617-K619 PolarHBondContact O-N 2.94Å; K619-I621 PolarHBondContact O-N 3.44Å
620	M	87.6	Confident	88.1	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.221	C	C	.	.			trans	-85.1	46.4	-162.8	-56.2	-169.1	74.7	0	0	113.4	I592 S596 L599 L602 L617 N622 L623 L643	I592-M620 HydrophobicContact CG2-CE 3.97Å; S596-M620 WeakPolarHBondContact OG-CA 3.3Å; L599-M620 HydrophobicContact CD2-CE 3.54Å; L602-M620 HydrophobicContact CD2-CE 4.04Å; L602-M620 HydrophobicContact CD2-SD 3.94Å; L617-M620 HydrophobicContact CD2-SD 3.95Å; L617-M620 WeakPolarHBondContact O-CB 3.34Å; L617-M620 PolarHBondContact O-N 3.29Å; M620-N622 PolarHBondContact O-N 3.13Å; M620-L623 VanDerWaalsContact O-CB 3.27Å; M620-L623 WeakPolarHBondContact O-CB 3.35Å; M620-L623 PolarHBondContact O-N 3.46Å; M620-L623 VanDerWaalsContact O-N 3.07Å; M620-L643 HydrophobicContact CB-CD2 4.23Å; M620-L643 VanDerWaalsContact O-CD2 3.28Å; M620-L643 WeakPolarHBondContact O-CD2 3.27Å
621	I	86.5	Confident	88.4	Confident	88 Å²	88	39.9 Å²	39.9	45%	0.451	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.1	-166	53.3	173.5	0	0	0	116.2	K619 N645	K619-I621 PolarHBondContact O-N 3.44Å; I621-N645 PolarHBondContact O-ND2 2.94Å
622	N	90.5	Very high	88.7	Confident	70 Å²	70	42.9 Å²	42.9	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.4	178.8	-72.2	-6.1	0	0	0	114.1	P597 M620 A624	P597-N622 PolarHBondContact O-ND2 3.12Å; M620-N622 PolarHBondContact O-N 3.13Å; N622-A624 PolarHBondContact O-N 3.25Å
623	L	93.7	Very high	89.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.			trans	-65.1	127.6	-178.1	-156.3	76.4	0	0	0	111.8	L599 V600 L602 M620 E625 L626 L643 N645 L646	L599-L623 HydrophobicContact CD2-CD1 4.13Å; L599-L623 HydrophobicContact CG-CD1 4.31Å; V600-L623 WeakPolarHBondContact O-CD1 3.48Å; L602-L623 HydrophobicContact CB-CD1 3.79Å; L602-L623 HydrophobicContact CB-CD2 4.07Å; M620-L623 VanDerWaalsContact O-CB 3.27Å; M620-L623 WeakPolarHBondContact O-CB 3.35Å; M620-L623 PolarHBondContact O-N 3.46Å; M620-L623 VanDerWaalsContact O-N 3.07Å; L623-E625 WeakPolarHBondContact CG-O 3.11Å; L623-L626 HydrophobicContact CD2-CB 3.76Å; L623-L626 HydrophobicContact CD2-CD1 3.87Å; L623-L626 HydrophobicContact CD2-CG 4.26Å; L623-L643 HydrophobicContact CD2-CD1 4.24Å; L623-N645 CarbonylContact O-C 3.37Å; L623-L646 PolarHBondContact O-N 2.66Å
624	A	95.4	Very high	90.3	Very high	9 Å²	9	39.1 Å²	39.1	7%	0.074	19%	0.193	C	C	.	.	S	Bend	trans	-102.2	-29.5	175.2	0	0	0	0	0	112.3	V600 N622 Q647 E648	V600-A624 HydrophobicContact CG1-CB 3.8Å; V600-A624 PolarHBondContact O-N 3.06Å; N622-A624 PolarHBondContact O-N 3.25Å; A624-Q647 WeakPolarHBondContact O-CA 3.25Å; A624-Q647 PolarHBondContact O-N 3.48Å; A624-E648 PolarHBondContact O-N 3.2Å
625	E	96.9	Very high	90.7	Very high	65 Å²	65	45.5 Å²	45.5	30%	0.304	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.4	-176.9	-66.9	170.2	-145.3	0	0	109.7	V600 R601 L602 L623 E648	V600-E625 PolarHBondContact O-N 3.32Å; R601-E625 WeakPolarHBondContact CA-O 3.37Å; R601-E625 HydrophobicContact CB-CB 3.99Å; R601-E625 WeakPolarHBondContact CD-OE2 3.46Å; R601-E625 HydrophobicContact CG-CB 3.78Å; R601-E625 IonicContact CZ-OE2 2.73Å; R601-E625 IonicContact NE-OE2 2.64Å; R601-E625 PolarHBondContact NE-OE2 3.2Å; R601-E625 IonicContact NH1-OE2 3.92Å; L602-E625 PolarHBondContact N-O 3.5Å; L623-E625 WeakPolarHBondContact CG-O 3.11Å; E625-E648 HydrophobicContact CG-CB 4.27Å
626	L	95.9	Very high	91.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.1	176.7	179.6	59.3	0	0	0	110.7	L602 L617 L623 L628 I640 L643 L646 E648 L649 D650	L602-L626 HydrophobicContact CB-CD1 4.27Å; L602-L626 HydrophobicContact CD2-CD1 4.08Å; L602-L626 HydrophobicContact CG-CD1 4.35Å; L617-L626 HydrophobicContact CD1-CD2 4.2Å; L623-L626 HydrophobicContact CD2-CB 3.76Å; L623-L626 HydrophobicContact CD2-CD1 3.87Å; L623-L626 HydrophobicContact CD2-CG 4.26Å; L626-L628 HydrophobicContact CD1-CD2 4.01Å; L626-L628 HydrophobicContact CD1-CG 4.03Å; L626-L628 HydrophobicContact CD2-CD1 4.37Å; L626-L628 HydrophobicContact CG-CD1 4.49Å; L626-L628 HydrophobicContact CG-CG 4.18Å; L626-I640 HydrophobicContact CD2-CD1 3.88Å; L626-I640 HydrophobicContact CD2-CG1 3.85Å; L626-I640 HydrophobicContact CD2-CG2 4.25Å; L626-L643 HydrophobicContact CD2-CD1 3.89Å; L626-L646 HydrophobicContact CB-CD1 3.74Å; L626-E648 PolarHBondContact N-O 2.9Å; L626-L649 HydrophobicContact CB-CD1 4.11Å; L626-L649 HydrophobicContact CD2-CD1 4Å; L626-L649 HydrophobicContact CG-CD1 4.12Å; L626-L649 WeakPolarHBondContact O-CA 3.27Å; L626-D650 PolarHBondContact O-N 3.04Å
627	E	95.8	Very high	91.5	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.051	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.7	-178.6	-75	-175.9	-98.6	0	0	109.6	R601 L602 V603 I604 H629 D650 K652	R601-E627 IonicContact CZ-OE1 3.1Å; R601-E627 IonicContact NE-OE1 3.86Å; R601-E627 PolarHBondContact NE-OE1 3.2Å; R601-E627 IonicContact NH2-OE1 2.72Å; R601-E627 PolarHBondContact NH2-OE1 3.05Å; R601-E627 IonicContact NH2-OE2 2.93Å; L602-E627 PolarHBondContact O-N 3.25Å; V603-E627 CarbonylContact C-O 3.35Å; V603-E627 WeakPolarHBondContact CA-O 3.43Å; V603-E627 HydrophobicContact CB-CB 4.13Å; V603-E627 HydrophobicContact CG1-CB 3.81Å; V603-E627 HydrophobicContact CG2-CB 4.06Å; V603-E627 HydrophobicContact CG2-CG 4.39Å; V603-E627 VanDerWaalsContact CG2-OE1 3.22Å; V603-E627 WeakPolarHBondContact CG2-OE1 3.21Å; I604-E627 PolarHBondContact N-O 3.48Å; E627-H629 IonicContact OE2-NE2 3.34Å; E627-H629 PolarHBondContact OE2-NE2 3.42Å; E627-D650 WeakPolarHBondContact CA-O 3.44Å; E627-D650 HydrophobicContact CB-CB 4.49Å; E627-D650 HydrophobicContact CG-CB 3.95Å; E627-K652 IonicContact OE2-NZ 3.07Å
628	L	94.1	Very high	91.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	85.8	179.3	-60.9	179.1	0	0	0	110.1	I604 L617 L626 L633 I640 D650 L651 N654	I604-L628 HydrophobicContact CB-CD2 3.9Å; I604-L628 HydrophobicContact CD1-CD2 4.01Å; I604-L628 HydrophobicContact CG1-CD2 4.11Å; I604-L628 CarbonylContact O-C 3.54Å; L617-L628 HydrophobicContact CD1-CD1 4.4Å; L626-L628 HydrophobicContact CD1-CD2 4.01Å; L626-L628 HydrophobicContact CD1-CG 4.03Å; L626-L628 HydrophobicContact CD2-CD1 4.37Å; L626-L628 HydrophobicContact CG-CD1 4.49Å; L626-L628 HydrophobicContact CG-CG 4.18Å; L628-L633 HydrophobicContact CB-CD1 4.28Å; L628-L633 HydrophobicContact CD1-CD1 4.15Å; L628-I640 HydrophobicContact CD1-CD1 4.34Å; L628-D650 PolarHBondContact N-O 3.07Å; L628-L651 HydrophobicContact CB-CD2 3.81Å; L628-L651 HydrophobicContact CD1-CD2 3.93Å; L628-L651 HydrophobicContact CG-CD2 4.19Å; L628-N654 PolarHBondContact O-ND2 3.5Å
629	H	93.6	Very high	91.7	Very high	22 Å²	22	41.8 Å²	41.8	10%	0.102	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.1	-173.4	-48.5	150.6	0	0	0	112	V603 I604 H605 N606 E627 C631 K652	V603-H629 VanDerWaalsContact CG1-NE2 3.33Å; V603-H629 WeakPolarHBondContact CG1-NE2 3.5Å; I604-H629 PolarHBondContact O-N 2.97Å; H605-H629 WeakPolarHBondContact CA-O 3.4Å; H605-H629 HydrophobicContact CB-CB 4.33Å; H605-H629 AromaticContact CG-CE1 3.93Å; N606-H629 PolarHBondContact N-O 2.88Å; E627-H629 IonicContact OE2-NE2 3.34Å; E627-H629 PolarHBondContact OE2-NE2 3.42Å; H629-C631 VanDerWaalsContact C-N 3.27Å; H629-C631 PolarHBondContact O-N 2.87Å; H629-C631 PolarHBondContact O-SG 3.47Å; H629-K652 HydrophobicContact CB-CG 4.28Å; H629-K652 VanDerWaalsContact CD2-CE 3.45Å; H629-K652 WeakPolarHBondContact CD2-CE 3.43Å; H629-K652 WeakPolarHBondContact CD2-CG 3.32Å; H629-K652 PolarHBondContact NE2-NZ 3.5Å
630	N	92.1	Very high	91.9	Very high	52 Å²	52	36.6 Å²	36.6	28%	0.278	17%	0.174	S	C	.	.	S	Bend	trans	55.9	40.9	171.3	-158	12.5	0	0	0	113.3	N606 G608 K652 S653	N606-N630 CarbonylContact C-O 3.21Å; N606-N630 WeakPolarHBondContact CB-O 3.11Å; G608-N630 WeakPolarHBondContact CA-O 3.31Å; G608-N630 VanDerWaalsContact N-CG 3.33Å; G608-N630 PolarHBondContact N-ND2 2.93Å; G608-N630 PolarHBondContact N-O 2.98Å; G608-N630 PolarHBondContact N-OD1 2.83Å; N630-K652 PolarHBondContact N-O 3.38Å; N630-S653 VanDerWaalsContact CA-O 3.31Å; N630-S653 WeakPolarHBondContact CA-O 3.26Å
631	C	92.4	Very high	91.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.			trans	-96.7	10.2	-176.3	-65.8	0	0	0	0	113.4	N606 T609 L611 H629 L633 N654	N606-C631 HydrophobicContact CB-CB 4.29Å; T609-C631 CarbonylContact O-C 3.45Å; L611-C631 HydrophobicContact CB-CB 4.15Å; L611-C631 HydrophobicContact CD2-CB 4.35Å; L611-C631 PolarHBondContact N-O 3.36Å; H629-C631 VanDerWaalsContact C-N 3.27Å; H629-C631 PolarHBondContact O-N 2.87Å; H629-C631 PolarHBondContact O-SG 3.47Å; C631-L633 HydrophobicContact CB-CD1 4.13Å; C631-L633 HydrophobicContact CB-CD2 4.23Å; C631-L633 HydrophobicContact CB-CG 3.76Å; C631-L633 PolarHBondContact O-N 3.45Å; C631-L633 VanDerWaalsContact O-N 3.15Å; C631-N654 WeakPolarHBondContact CA-OD1 3.36Å; C631-N654 WeakPolarHBondContact CB-OD1 3.36Å; C631-N654 PolarHBondContact N-OD1 2.89Å
632	E	92.5	Very high	92.1	Very high	71 Å²	71	35.3 Å²	35.3	33%	0.332	17%	0.17	S	C	.	.			trans	50.7	24.8	-170.6	-55.6	-153.9	100.9	0	0	116.3	G608 K610 E634 N654	G608-E632 VanDerWaalsContact O-CD 3.32Å; G608-E632 WeakPolarHBondContact O-CG 3.35Å; K610-E632 HydrophobicContact CB-CB 4.22Å; K610-E632 WeakPolarHBondContact CB-OE2 3.34Å; K610-E632 HydrophobicContact CG-CB 4.19Å; E632-E634 PolarHBondContact O-N 3.24Å; E632-N654 PolarHBondContact N-OD1 3.18Å
633	L	91.4	Very high	92.1	Very high	13 Å²	13	32 Å²	32	7%	0.068	15%	0.153	C	C	.	.			trans	-64.8	124.3	-174.5	-58	175.2	0	0	0	111.4	L614 L628 C631 P637 L651 N654 N655 I656	L614-L633 HydrophobicContact CD1-CD2 3.82Å; L628-L633 HydrophobicContact CB-CD1 4.28Å; L628-L633 HydrophobicContact CD1-CD1 4.15Å; C631-L633 HydrophobicContact CB-CD1 4.13Å; C631-L633 HydrophobicContact CB-CD2 4.23Å; C631-L633 HydrophobicContact CB-CG 3.76Å; C631-L633 PolarHBondContact O-N 3.45Å; C631-L633 VanDerWaalsContact O-N 3.15Å; L633-P637 HydrophobicContact CD1-CG 4.16Å; L633-P637 HydrophobicContact CD2-CG 4.43Å; L633-L651 HydrophobicContact CD1-CD2 4.32Å; L633-N654 HydrophobicContact CB-CB 4.17Å; L633-N654 PolarHBondContact N-OD1 3.41Å; L633-N655 CarbonylContact O-C 3.4Å; L633-N655 VanDerWaalsContact O-CA 3.27Å; L633-N655 WeakPolarHBondContact O-CA 3.33Å; L633-N655 PolarHBondContact O-N 3.46Å; L633-I656 HydrophobicContact CB-CG1 4.4Å; L633-I656 VanDerWaalsContact O-CG1 3.27Å; L633-I656 WeakPolarHBondContact O-CG1 3.49Å; L633-I656 PolarHBondContact O-N 2.92Å
634	E	91.4	Very high	91.9	Very high	87 Å²	87	36.4 Å²	36.4	41%	0.407	18%	0.176	S	C	.	.	S	Bend	trans	-87.3	-18.1	178.3	-67.4	178.9	-118.5	0	0	113.6	K610 E632 N655 I656 R657	K610-E634 IonicContact NZ-OE1 3.87Å; K610-E634 PolarHBondContact NZ-OE1 3.22Å; E632-E634 PolarHBondContact O-N 3.24Å; E634-N655 HydrophobicContact CG-CB 4.25Å; E634-I656 WeakPolarHBondContact O-CA 3.21Å; E634-R657 PolarHBondContact O-N 2.72Å
635	R	90.8	Very high	91.8	Very high	150 Å²	150	38.1 Å²	38.1	57%	0.566	18%	0.184	S	C	*	.	S	Bend	trans	-151.4	164.6	-177.3	-66.6	-172.6	-178	-145.3	2.8	110.2	P637 E661	R635-P637 WeakPolarHBondContact O-CD 3.27Å; R635-E661 WeakPolarHBondContact CD-OE1 3.46Å; R635-E661 IonicContact NH1-OE1 3.12Å
636	I	91	Very high	91.7	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.17	C	C	.	.			trans	-75.7	122.6	178.1	-56.2	-172.1	0	0	0	110.3	H638 I640 F641 L651 I656 I659 E661 F665 L676	I636-H638 PolarHBondContact O-N 3.07Å; I636-I640 HydrophobicContact CG2-CD1 4.49Å; I636-F641 HydrophobicContact CB-CZ 4.37Å; I636-F641 HydrophobicContact CG2-CE1 4.02Å; I636-F641 HydrophobicContact CG2-CZ 3.68Å; I636-L651 HydrophobicContact CB-CD1 4.44Å; I636-L651 HydrophobicContact CD1-CD1 4.31Å; I636-L651 HydrophobicContact CG1-CD1 3.97Å; I636-L651 HydrophobicContact CG2-CD1 4.05Å; I636-I656 HydrophobicContact CG1-CD1 4.33Å; I636-I656 HydrophobicContact CG1-CG2 4.48Å; I636-I659 HydrophobicContact CD1-CB 4.15Å; I636-I659 HydrophobicContact CD1-CG2 3.85Å; I636-I659 HydrophobicContact CG1-CG2 4.39Å; I636-E661 HydrophobicContact CB-CB 4.38Å; I636-F665 HydrophobicContact CD1-CE2 3.91Å; I636-F665 HydrophobicContact CD1-CZ 3.76Å; I636-F665 HydrophobicContact CG2-CE2 4.25Å; I636-F665 HydrophobicContact CG2-CZ 4.39Å; I636-L676 HydrophobicContact CD1-CD2 4.42Å
637	P	89.5	Confident	91.7	Very high	18 Å²	18	39.4 Å²	39.4	12%	0.117	19%	0.19	C	C	.	.			trans	-64.9	121.4	-177.3	-20.3	29.9	0	0	0	113.2	L614 L633 R635 A639 I640	L614-P637 HydrophobicContact CB-CB 4.17Å; L614-P637 HydrophobicContact CD1-CB 3.75Å; L614-P637 HydrophobicContact CD1-CG 3.35Å; L633-P637 HydrophobicContact CD1-CG 4.16Å; L633-P637 HydrophobicContact CD2-CG 4.43Å; R635-P637 WeakPolarHBondContact O-CD 3.27Å; P637-A639 PolarHBondContact O-N 3.07Å; P637-I640 HydrophobicContact CB-CD1 4.24Å; P637-I640 HydrophobicContact CB-CG1 4.27Å; P637-I640 HydrophobicContact CG-CD1 4.08Å; P637-I640 WeakPolarHBondContact O-CB 3.39Å; P637-I640 WeakPolarHBondContact O-CG1 3.42Å; P637-I640 PolarHBondContact O-N 3.25Å
638	H	87.9	Confident	91.7	Very high	105 Å²	105	40.8 Å²	40.8	49%	0.486	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.2	-178.8	79	-75.8	0	0	0	115.3	N615 K618 I636 I640 F641	N615-H638 PolarHBondContact OD1-CE1 2.84Å; N615-H638 PolarHBondContact OD1-NE2 3.46Å; K618-H638 WeakPolarHBondContact CE-NE2 3.37Å; K618-H638 PolarHBondContact NZ-CD2 3.05Å; K618-H638 PolarHBondContact NZ-NE2 3.16Å; I636-H638 PolarHBondContact O-N 3.07Å; H638-I640 VanDerWaalsContact C-N 3.29Å; H638-I640 PolarHBondContact O-N 2.96Å; H638-F641 HydrophobicContact CB-CD2 4.37Å; H638-F641 HydrophobicContact CB-CE2 4.42Å
639	A	89.1	Confident	91.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.1	174.4	0	0	0	0	0	113.5	L614 L617 K618 P637 F641 S642	L614-A639 WeakPolarHBondContact O-CB 3.47Å; L617-A639 HydrophobicContact CB-CB 4.14Å; K618-A639 HydrophobicContact CD-CB 4.49Å; K618-A639 HydrophobicContact CG-CB 3.7Å; P637-A639 PolarHBondContact O-N 3.07Å; A639-F641 PolarHBondContact O-N 3.45Å; A639-S642 PolarHBondContact O-N 3.3Å
640	I	91	Very high	92	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-64.8	-32	-179.8	-61.1	179	0	0	0	110.6	L617 L626 L628 I636 P637 H638 S642 L643 L646 L649 L651 L668	L617-I640 HydrophobicContact CD1-CG1 4.13Å; L626-I640 HydrophobicContact CD2-CD1 3.88Å; L626-I640 HydrophobicContact CD2-CG1 3.85Å; L626-I640 HydrophobicContact CD2-CG2 4.25Å; L628-I640 HydrophobicContact CD1-CD1 4.34Å; I636-I640 HydrophobicContact CG2-CD1 4.49Å; P637-I640 HydrophobicContact CB-CD1 4.24Å; P637-I640 HydrophobicContact CB-CG1 4.27Å; P637-I640 HydrophobicContact CG-CD1 4.08Å; P637-I640 WeakPolarHBondContact O-CB 3.39Å; P637-I640 WeakPolarHBondContact O-CG1 3.42Å; P637-I640 PolarHBondContact O-N 3.25Å; H638-I640 VanDerWaalsContact C-N 3.29Å; H638-I640 PolarHBondContact O-N 2.96Å; I640-S642 PolarHBondContact O-N 3.32Å; I640-L643 HydrophobicContact CG2-CD1 4.28Å; I640-L643 VanDerWaalsContact O-CB 3.23Å; I640-L643 WeakPolarHBondContact O-CB 3.48Å; I640-L643 WeakPolarHBondContact O-CG 3.49Å; I640-L643 PolarHBondContact O-N 3.47Å; I640-L646 HydrophobicContact CG2-CD2 3.85Å; I640-L649 HydrophobicContact CD1-CD1 4.09Å; I640-L649 HydrophobicContact CG2-CD1 4.17Å; I640-L649 HydrophobicContact CG2-CD2 4.01Å; I640-L651 HydrophobicContact CD1-CD2 4.28Å; I640-L668 HydrophobicContact CG2-CD1 4.49Å
641	F	89.3	Confident	92.1	Very high	19 Å²	19	37.3 Å²	37.3	8%	0.083	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-70.1	-3.9	-179	-46.9	-44	0	0	0	114.7	I636 H638 A639 E661 F665 L668	I636-F641 HydrophobicContact CB-CZ 4.37Å; I636-F641 HydrophobicContact CG2-CE1 4.02Å; I636-F641 HydrophobicContact CG2-CZ 3.68Å; H638-F641 HydrophobicContact CB-CD2 4.37Å; H638-F641 HydrophobicContact CB-CE2 4.42Å; A639-F641 PolarHBondContact O-N 3.45Å; F641-E661 HydrophobicContact CE2-CB 3.9Å; F641-E661 HydrophobicContact CZ-CB 3.72Å; F641-F665 HydrophobicContact CD1-CD2 4.08Å; F641-F665 HydrophobicContact CD1-CE2 4.4Å; F641-F665 AromaticContact CE1-CD2 3.37Å; F641-F665 HydrophobicContact CE1-CD2 3.37Å; F641-F665 AromaticContact CE1-CE2 3.34Å; F641-F665 HydrophobicContact CE1-CE2 3.34Å; F641-F665 HydrophobicContact CE1-CG 4.31Å; F641-F665 HydrophobicContact CE1-CZ 4.2Å; F641-F665 HydrophobicContact CZ-CD2 4.01Å; F641-F665 AromaticContact CZ-CE2 3.81Å; F641-F665 HydrophobicContact CZ-CE2 3.81Å; F641-L668 HydrophobicContact CD1-CD1 4.07Å; F641-L668 HydrophobicContact CD1-CG 4.43Å
642	S	89.8	Confident	92.2	Very high	43 Å²	43	39.5 Å²	39.5	30%	0.301	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-85.8	-10.5	168.3	-55.4	0	0	0	0	113.3	A639 I640 N644	A639-S642 PolarHBondContact O-N 3.3Å; I640-S642 PolarHBondContact O-N 3.32Å; S642-N644 VanDerWaalsContact C-N 3.32Å; S642-N644 PolarHBondContact O-N 2.93Å; S642-N644 PolarHBondContact O-ND2 3.47Å
643	L	91	Very high	92.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.			trans	-83.2	69.9	-176.5	-56.8	179.1	0	0	0	111.4	L617 M620 L623 L626 I640 N645 L646 L668	L617-L643 WeakPolarHBondContact O-CD2 3.13Å; M620-L643 HydrophobicContact CB-CD2 4.23Å; M620-L643 VanDerWaalsContact O-CD2 3.28Å; M620-L643 WeakPolarHBondContact O-CD2 3.27Å; L623-L643 HydrophobicContact CD2-CD1 4.24Å; L626-L643 HydrophobicContact CD2-CD1 3.89Å; I640-L643 HydrophobicContact CG2-CD1 4.28Å; I640-L643 VanDerWaalsContact O-CB 3.23Å; I640-L643 WeakPolarHBondContact O-CB 3.48Å; I640-L643 WeakPolarHBondContact O-CG 3.49Å; I640-L643 PolarHBondContact O-N 3.47Å; L643-N645 PolarHBondContact O-N 2.84Å; L643-L646 HydrophobicContact CB-CB 4.04Å; L643-L646 HydrophobicContact CD1-CD1 4.34Å; L643-L646 HydrophobicContact CD1-CD2 4.45Å; L643-L646 VanDerWaalsContact O-CB 3.26Å; L643-L646 WeakPolarHBondContact O-CB 3.31Å; L643-L646 PolarHBondContact O-N 3Å; L643-L668 HydrophobicContact CB-CD2 4.48Å; L643-L668 VanDerWaalsContact O-CD2 3.28Å; L643-L668 WeakPolarHBondContact O-CD2 3.35Å
644	N	89.7	Confident	92.4	Very high	94 Å²	94	38.3 Å²	38.3	50%	0.503	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.4	-175.5	-61.2	-55.2	0	0	0	114.9	S642	S642-N644 VanDerWaalsContact C-N 3.32Å; S642-N644 PolarHBondContact O-N 2.93Å; S642-N644 PolarHBondContact O-ND2 3.47Å
645	N	92.3	Very high	92.5	Very high	45 Å²	45	36 Å²	36	24%	0.241	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-6.6	179.4	-75.1	-48.7	0	0	0	114.7	I621 L623 L643 Q647 R670	I621-N645 PolarHBondContact O-ND2 2.94Å; L623-N645 CarbonylContact O-C 3.37Å; L643-N645 PolarHBondContact O-N 2.84Å; N645-Q647 PolarHBondContact O-N 3.01Å; N645-R670 PolarHBondContact OD1-NH1 3.38Å
646	L	94.8	Very high	92.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.			trans	-63.3	130.1	-172.8	-160.7	71.3	0	0	0	111.9	L623 L626 I640 L643 E648 L649 L668 R670 L671	L623-L646 PolarHBondContact O-N 2.66Å; L626-L646 HydrophobicContact CB-CD1 3.74Å; I640-L646 HydrophobicContact CG2-CD2 3.85Å; L643-L646 HydrophobicContact CB-CB 4.04Å; L643-L646 HydrophobicContact CD1-CD1 4.34Å; L643-L646 HydrophobicContact CD1-CD2 4.45Å; L643-L646 VanDerWaalsContact O-CB 3.26Å; L643-L646 WeakPolarHBondContact O-CB 3.31Å; L643-L646 PolarHBondContact O-N 3Å; L646-E648 WeakPolarHBondContact CD1-O 3.49Å; L646-L649 HydrophobicContact CD2-CB 4.02Å; L646-L649 HydrophobicContact CD2-CD1 4.31Å; L646-L668 HydrophobicContact CB-CD2 4.36Å; L646-L668 HydrophobicContact CD2-CD1 4.35Å; L646-R670 CarbonylContact O-C 3.57Å; L646-R670 WeakPolarHBondContact O-CB 3.46Å; L646-L671 HydrophobicContact CD2-CD1 4.25Å; L646-L671 HydrophobicContact CG-CD1 4.27Å; L646-L671 WeakPolarHBondContact O-CA 3.43Å; L646-L671 PolarHBondContact O-N 3.47Å; L646-L671 VanDerWaalsContact O-N 3.09Å
647	Q	95.7	Very high	92.8	Very high	92 Å²	92	35.6 Å²	35.6	43%	0.43	18%	0.177	S	C	.	.			trans	-112.7	-42.7	-179.8	-67.7	176.3	70.9	0	0	111	A624 N645 R670 L671 T672 C673	A624-Q647 WeakPolarHBondContact O-CA 3.25Å; A624-Q647 PolarHBondContact O-N 3.48Å; N645-Q647 PolarHBondContact O-N 3.01Å; Q647-R670 HydrophobicContact CG-CB 4.23Å; Q647-L671 WeakPolarHBondContact O-CD1 3.38Å; Q647-T672 PolarHBondContact O-N 3.33Å; Q647-T672 PolarHBondContact O-OG1 2.86Å; Q647-C673 PolarHBondContact O-N 3.49Å
648	E	97.1	Very high	92.8	Very high	40 Å²	40	36.8 Å²	36.8	19%	0.187	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.3	172.7	-175.8	163.9	119.1	0	0	112.1	A624 E625 L626 L646 C673 K675	A624-E648 PolarHBondContact O-N 3.2Å; E625-E648 HydrophobicContact CG-CB 4.27Å; L626-E648 PolarHBondContact N-O 2.9Å; L646-E648 WeakPolarHBondContact CD1-O 3.49Å; E648-C673 WeakPolarHBondContact CA-O 3.16Å; E648-C673 HydrophobicContact CB-CB 4.02Å; E648-C673 HydrophobicContact CG-CB 3.81Å; E648-C673 WeakPolarHBondContact OE2-CB 3.5Å; E648-C673 PolarHBondContact OE2-SG 3.42Å; E648-K675 IonicContact OE1-NZ 3.91Å; E648-K675 PolarHBondContact OE1-NZ 3.39Å; E648-K675 IonicContact OE2-NZ 2.9Å; E648-K675 PolarHBondContact OE2-NZ 3.46Å; E648-K675 VanDerWaalsContact OE2-NZ 3.17Å
649	L	96.1	Very high	92.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.5	172.1	177.6	59.6	0	0	0	110	L626 I640 L646 L651 F665 L671 C673 L674 K675	L626-L649 HydrophobicContact CB-CD1 4.11Å; L626-L649 HydrophobicContact CD2-CD1 4Å; L626-L649 HydrophobicContact CG-CD1 4.12Å; L626-L649 WeakPolarHBondContact O-CA 3.27Å; I640-L649 HydrophobicContact CD1-CD1 4.09Å; I640-L649 HydrophobicContact CG2-CD1 4.17Å; I640-L649 HydrophobicContact CG2-CD2 4.01Å; L646-L649 HydrophobicContact CD2-CB 4.02Å; L646-L649 HydrophobicContact CD2-CD1 4.31Å; L649-L651 HydrophobicContact CD1-CD2 3.88Å; L649-L651 HydrophobicContact CD1-CG 4.05Å; L649-L651 HydrophobicContact CD2-CD1 4.38Å; L649-L651 HydrophobicContact CG-CD1 4.48Å; L649-L651 HydrophobicContact CG-CG 4.17Å; L649-F665 HydrophobicContact CD2-CE1 4.09Å; L649-F665 HydrophobicContact CD2-CZ 4.08Å; L649-L671 HydrophobicContact CB-CD1 3.98Å; L649-C673 PolarHBondContact N-O 3.25Å; L649-C673 VanDerWaalsContact N-O 3.07Å; L649-L674 HydrophobicContact CB-CD1 4.13Å; L649-L674 HydrophobicContact CD2-CD1 3.99Å; L649-L674 HydrophobicContact CG-CD1 4.14Å; L649-K675 PolarHBondContact O-N 3.25Å
650	D	96.6	Very high	92.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.1	172.5	-167.2	-10.4	0	0	0	111.3	L626 E627 L628 K652 K675	L626-D650 PolarHBondContact O-N 3.04Å; E627-D650 WeakPolarHBondContact CA-O 3.44Å; E627-D650 HydrophobicContact CB-CB 4.49Å; E627-D650 HydrophobicContact CG-CB 3.95Å; L628-D650 PolarHBondContact N-O 3.07Å; D650-K652 WeakPolarHBondContact OD1-CB 3.37Å; D650-K652 VanDerWaalsContact OD1-CG 3.27Å; D650-K652 WeakPolarHBondContact OD1-CG 3.45Å; D650-K652 PolarHBondContact OD1-N 3.17Å; D650-K652 IonicContact OD2-NZ 3.62Å; D650-K652 PolarHBondContact OD2-NZ 3.35Å; D650-K675 HydrophobicContact CB-CB 3.92Å; D650-K675 HydrophobicContact CB-CD 4.07Å; D650-K675 WeakPolarHBondContact OD1-CB 3.11Å
651	L	95.2	Very high	92.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.			trans	-119.5	35.3	174.2	-53.1	176.4	0	0	0	111.1	L628 L633 I636 I640 L649 N654 I656 K675 L676 N679	L628-L651 HydrophobicContact CB-CD2 3.81Å; L628-L651 HydrophobicContact CD1-CD2 3.93Å; L628-L651 HydrophobicContact CG-CD2 4.19Å; L633-L651 HydrophobicContact CD1-CD2 4.32Å; I636-L651 HydrophobicContact CB-CD1 4.44Å; I636-L651 HydrophobicContact CD1-CD1 4.31Å; I636-L651 HydrophobicContact CG1-CD1 3.97Å; I636-L651 HydrophobicContact CG2-CD1 4.05Å; I640-L651 HydrophobicContact CD1-CD2 4.28Å; L649-L651 HydrophobicContact CD1-CD2 3.88Å; L649-L651 HydrophobicContact CD1-CG 4.05Å; L649-L651 HydrophobicContact CD2-CD1 4.38Å; L649-L651 HydrophobicContact CG-CD1 4.48Å; L649-L651 HydrophobicContact CG-CG 4.17Å; L651-N654 VanDerWaalsContact C-ND2 3.27Å; L651-N654 PolarHBondContact O-ND2 3.09Å; L651-I656 HydrophobicContact CB-CD1 3.81Å; L651-I656 HydrophobicContact CD1-CD1 3.86Å; L651-I656 HydrophobicContact CG-CD1 4.48Å; L651-K675 PolarHBondContact N-O 2.89Å; L651-L676 HydrophobicContact CB-CD2 4.02Å; L651-L676 HydrophobicContact CD1-CD2 4.07Å; L651-L676 HydrophobicContact CG-CD2 4.35Å; L651-N679 PolarHBondContact O-ND2 2.69Å
652	K	93.6	Very high	91.7	Very high	46 Å²	46	38.4 Å²	38.4	20%	0.2	19%	0.192	C	C	.	.			trans	-59.2	152.4	-179.3	64	175	170.6	-94.3	0	115.4	E627 H629 N630 D650 N654 W677	E627-K652 IonicContact OE2-NZ 3.07Å; H629-K652 HydrophobicContact CB-CG 4.28Å; H629-K652 VanDerWaalsContact CD2-CE 3.45Å; H629-K652 WeakPolarHBondContact CD2-CE 3.43Å; H629-K652 WeakPolarHBondContact CD2-CG 3.32Å; H629-K652 PolarHBondContact NE2-NZ 3.5Å; N630-K652 PolarHBondContact N-O 3.38Å; D650-K652 WeakPolarHBondContact OD1-CB 3.37Å; D650-K652 VanDerWaalsContact OD1-CG 3.27Å; D650-K652 WeakPolarHBondContact OD1-CG 3.45Å; D650-K652 PolarHBondContact OD1-N 3.17Å; D650-K652 IonicContact OD2-NZ 3.62Å; D650-K652 PolarHBondContact OD2-NZ 3.35Å; K652-N654 VanDerWaalsContact C-N 3.28Å; K652-N654 PolarHBondContact O-N 2.93Å; K652-N654 PolarHBondContact O-ND2 3.22Å; K652-N654 VanDerWaalsContact O-ND2 3.1Å; K652-W677 HydrophobicContact CD-CZ2 4.46Å; K652-W677 VanDerWaalsContact CD-NE1 3.35Å
653	S	93.6	Very high	91.3	Very high	52 Å²	52	40.5 Å²	40.5	36%	0.364	20%	0.199	S	C	.	.	S	Bend	trans	58.5	38.9	173.3	-50.4	0	0	0	0	112.6	N630 W677 Y678	N630-S653 VanDerWaalsContact CA-O 3.31Å; N630-S653 WeakPolarHBondContact CA-O 3.26Å; S653-W677 PolarHBondContact N-O 2.96Å; S653-Y678 WeakPolarHBondContact CA-O 3.43Å; S653-Y678 PolarHBondContact N-O 3.27Å
654	N	94.7	Very high	91	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-110.1	-175.3	177.9	-79.4	-72	0	0	0	111	L628 C631 E632 L633 L651 K652 I656 Y678 N679	L628-N654 PolarHBondContact O-ND2 3.5Å; C631-N654 WeakPolarHBondContact CA-OD1 3.36Å; C631-N654 WeakPolarHBondContact CB-OD1 3.36Å; C631-N654 PolarHBondContact N-OD1 2.89Å; E632-N654 PolarHBondContact N-OD1 3.18Å; L633-N654 HydrophobicContact CB-CB 4.17Å; L633-N654 PolarHBondContact N-OD1 3.41Å; L651-N654 VanDerWaalsContact C-ND2 3.27Å; L651-N654 PolarHBondContact O-ND2 3.09Å; K652-N654 VanDerWaalsContact C-N 3.28Å; K652-N654 PolarHBondContact O-N 2.93Å; K652-N654 PolarHBondContact O-ND2 3.22Å; K652-N654 VanDerWaalsContact O-ND2 3.1Å; N654-I656 HydrophobicContact CB-CD1 4.28Å; N654-I656 HydrophobicContact CB-CG1 4.04Å; N654-Y678 PolarHBondContact N-O 3.05Å; N654-N679 WeakPolarHBondContact CA-OD1 3.43Å; N654-N679 VanDerWaalsContact CB-OD1 3.25Å; N654-N679 WeakPolarHBondContact CB-OD1 3.41Å; N654-N679 PolarHBondContact O-OD1 2.89Å
655	N	93.9	Very high	90.7	Very high	39 Å²	39	38 Å²	38	21%	0.209	19%	0.189	C	C	.	.			trans	-100.2	19.2	-179	-76.8	-53.6	0	0	0	112.8	L633 E634 R657 K680	L633-N655 CarbonylContact O-C 3.4Å; L633-N655 VanDerWaalsContact O-CA 3.27Å; L633-N655 WeakPolarHBondContact O-CA 3.33Å; L633-N655 PolarHBondContact O-N 3.46Å; E634-N655 HydrophobicContact CG-CB 4.25Å; N655-R657 WeakPolarHBondContact O-CG 3.26Å; N655-R657 PolarHBondContact O-N 3.43Å; N655-K680 PolarHBondContact OD1-NZ 2.59Å
656	I	94.4	Very high	90.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.			trans	-66.2	120.5	-168.3	-57.1	172.8	0	0	0	110	L633 E634 I636 L651 N654 T658 I659 L676 N679 K680 I681	L633-I656 HydrophobicContact CB-CG1 4.4Å; L633-I656 VanDerWaalsContact O-CG1 3.27Å; L633-I656 WeakPolarHBondContact O-CG1 3.49Å; L633-I656 PolarHBondContact O-N 2.92Å; E634-I656 WeakPolarHBondContact O-CA 3.21Å; I636-I656 HydrophobicContact CG1-CD1 4.33Å; I636-I656 HydrophobicContact CG1-CG2 4.48Å; L651-I656 HydrophobicContact CB-CD1 3.81Å; L651-I656 HydrophobicContact CD1-CD1 3.86Å; L651-I656 HydrophobicContact CG-CD1 4.48Å; N654-I656 HydrophobicContact CB-CD1 4.28Å; N654-I656 HydrophobicContact CB-CG1 4.04Å; I656-T658 VanDerWaalsContact CG2-O 3.25Å; I656-T658 WeakPolarHBondContact CG2-O 3.34Å; I656-I659 HydrophobicContact CG2-CG2 3.91Å; I656-L676 HydrophobicContact CD1-CD2 4.49Å; I656-N679 HydrophobicContact CB-CB 4.41Å; I656-N679 VanDerWaalsContact CB-OD1 3.22Å; I656-N679 WeakPolarHBondContact CB-OD1 3.41Å; I656-N679 VanDerWaalsContact CG1-OD1 3.32Å; I656-N679 WeakPolarHBondContact CG1-OD1 3.49Å; I656-N679 PolarHBondContact N-OD1 2.9Å; I656-K680 CarbonylContact O-C 3.12Å; I656-K680 VanDerWaalsContact O-CA 3.28Å; I656-K680 WeakPolarHBondContact O-CA 3.44Å; I656-K680 PolarHBondContact O-N 2.92Å; I656-I681 HydrophobicContact CG2-CG1 4.2Å; I656-I681 WeakPolarHBondContact O-CG1 3.3Å; I656-I681 PolarHBondContact O-N 3.5Å; I656-I681 VanDerWaalsContact O-N 3.13Å
657	R	93	Very high	89.8	Confident	147 Å²	147	44.3 Å²	44.3	56%	0.555	22%	0.216	S	C	*	.			trans	-100.8	-28.2	-178.4	-52.5	-171.6	-166.2	-173.6	6.1	113.8	E634 N655 K680 I681 I682	E634-R657 PolarHBondContact O-N 2.72Å; N655-R657 WeakPolarHBondContact O-CG 3.26Å; N655-R657 PolarHBondContact O-N 3.43Å; R657-K680 WeakPolarHBondContact CA-O 3.41Å; R657-K680 HydrophobicContact CG-CB 4.3Å; R657-I681 WeakPolarHBondContact O-CA 3.45Å; R657-I682 PolarHBondContact O-N 2.94Å
658	T	90.1	Very high	89.5	Confident	43 Å²	43	40.2 Å²	40.2	26%	0.264	20%	0.197	S	C	.	.			trans	-138	147.5	-173.6	51.2	0	0	0	0	109	I656	I656-T658 VanDerWaalsContact CG2-O 3.25Å; I656-T658 WeakPolarHBondContact CG2-O 3.34Å
659	I	89.9	Confident	89	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.221	C	C	.	.			trans	-128.4	34.2	175.6	62.7	175.9	0	0	0	110.8	I636 I656 E661 V662 L676 I681 P685	I636-I659 HydrophobicContact CD1-CB 4.15Å; I636-I659 HydrophobicContact CD1-CG2 3.85Å; I636-I659 HydrophobicContact CG1-CG2 4.39Å; I656-I659 HydrophobicContact CG2-CG2 3.91Å; I659-E661 PolarHBondContact O-N 3.42Å; I659-E661 VanDerWaalsContact O-N 3.17Å; I659-V662 HydrophobicContact CB-CG2 4.04Å; I659-V662 HydrophobicContact CD1-CG2 4.22Å; I659-V662 HydrophobicContact CG1-CG2 4.15Å; I659-V662 WeakPolarHBondContact O-CB 3.3Å; I659-V662 WeakPolarHBondContact O-CG2 3.46Å; I659-V662 PolarHBondContact O-N 3.34Å; I659-L676 HydrophobicContact CD1-CD1 4.28Å; I659-L676 HydrophobicContact CG2-CD1 4.28Å; I659-I681 HydrophobicContact CD1-CG2 4.36Å; I659-I681 HydrophobicContact CG1-CG2 4.37Å; I659-I681 HydrophobicContact CG2-CD1 3.74Å; I659-I681 HydrophobicContact CG2-CG1 4.11Å; I659-I681 HydrophobicContact CG2-CG2 4.47Å; I659-P685 HydrophobicContact CG1-CG 4.26Å; I659-P685 WeakPolarHBondContact O-CG 3.45Å
660	E	84.5	Confident	88.9	Confident	122 Å²	122	52.7 Å²	52.7	57%	0.57	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59.1	-26.4	178.6	-64.6	178.5	166.8	0	0	112	V662 I663	E660-V662 PolarHBondContact O-N 2.93Å; E660-I663 PolarHBondContact O-N 3.49Å
661	E	82.1	Confident	88.8	Confident	35 Å²	35	52.8 Å²	52.8	16%	0.164	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60	-8.9	171.6	-56.8	85	173.6	0	0	113.6	R635 I636 F641 I659 I663 S664	R635-E661 WeakPolarHBondContact CD-OE1 3.46Å; R635-E661 IonicContact NH1-OE1 3.12Å; I636-E661 HydrophobicContact CB-CB 4.38Å; F641-E661 HydrophobicContact CE2-CB 3.9Å; F641-E661 HydrophobicContact CZ-CB 3.72Å; I659-E661 PolarHBondContact O-N 3.42Å; I659-E661 VanDerWaalsContact O-N 3.17Å; E661-I663 PolarHBondContact O-N 3.02Å; E661-I663 VanDerWaalsContact O-N 3.12Å; E661-S664 WeakPolarHBondContact O-CB 3.41Å; E661-S664 PolarHBondContact O-N 2.9Å
662	V	78.8	Confident	88.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-53.9	-24.7	170.2	163.7	0	0	0	0	113.2	I659 E660 S664 F665 P685 I688	I659-V662 HydrophobicContact CB-CG2 4.04Å; I659-V662 HydrophobicContact CD1-CG2 4.22Å; I659-V662 HydrophobicContact CG1-CG2 4.15Å; I659-V662 WeakPolarHBondContact O-CB 3.3Å; I659-V662 WeakPolarHBondContact O-CG2 3.46Å; I659-V662 PolarHBondContact O-N 3.34Å; E660-V662 PolarHBondContact O-N 2.93Å; V662-S664 PolarHBondContact O-N 3.4Å; V662-F665 VanDerWaalsContact CA-CD2 3.48Å; V662-F665 HydrophobicContact CB-CD2 4.41Å; V662-F665 HydrophobicContact CG2-CD2 4.22Å; V662-F665 HydrophobicContact CG2-CE2 4.06Å; V662-F665 HydrophobicContact CG2-CZ 4.46Å; V662-F665 WeakPolarHBondContact O-CB 3.38Å; V662-F665 PolarHBondContact O-N 3.37Å; V662-P685 HydrophobicContact CB-CG 4Å; V662-P685 HydrophobicContact CG1-CG 4.31Å; V662-P685 HydrophobicContact CG2-CG 4.47Å; V662-I688 HydrophobicContact CG1-CB 4.26Å; V662-I688 HydrophobicContact CG1-CD1 3.88Å; V662-I688 HydrophobicContact CG2-CD1 4.43Å
663	I	79.4	Confident	89	Confident	87 Å²	87	53.4 Å²	53.4	45%	0.446	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-53.6	-42.4	169.1	-64	167.1	0	0	0	111	E660 E661 F665 Q666 S687	E660-I663 PolarHBondContact O-N 3.49Å; E661-I663 PolarHBondContact O-N 3.02Å; E661-I663 VanDerWaalsContact O-N 3.12Å; I663-F665 VanDerWaalsContact C-N 3.3Å; I663-F665 PolarHBondContact O-N 3.45Å; I663-Q666 VanDerWaalsContact O-CG 3.24Å; I663-Q666 WeakPolarHBondContact O-CG 3.5Å; I663-Q666 PolarHBondContact O-N 3.24Å; I663-S687 VanDerWaalsContact CG1-OG 3.31Å; I663-S687 WeakPolarHBondContact CG1-OG 3.48Å
664	S	85.3	Confident	89.1	Confident	39 Å²	39	51 Å²	51	27%	0.273	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-75.5	-12.3	-179.5	-58.4	0	0	0	0	113.9	E661 V662 Q666 H667	E661-S664 WeakPolarHBondContact O-CB 3.41Å; E661-S664 PolarHBondContact O-N 2.9Å; V662-S664 PolarHBondContact O-N 3.4Å; S664-Q666 PolarHBondContact O-N 3.3Å; S664-Q666 VanDerWaalsContact O-N 3.15Å; S664-H667 PolarHBondContact O-CD2 3.31Å; S664-H667 PolarHBondContact O-N 2.92Å; S664-H667 VanDerWaalsContact O-N 3.14Å
665	F	83.4	Confident	89.2	Confident	3 Å²	3	52.2 Å²	52.2	1%	0.013	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-67	-12.5	173.7	-75.4	-128.8	0	0	0	112.4	I636 F641 L649 V662 I663 H667 L668 L671 L674 V691	I636-F665 HydrophobicContact CD1-CE2 3.91Å; I636-F665 HydrophobicContact CD1-CZ 3.76Å; I636-F665 HydrophobicContact CG2-CE2 4.25Å; I636-F665 HydrophobicContact CG2-CZ 4.39Å; F641-F665 HydrophobicContact CD1-CD2 4.08Å; F641-F665 HydrophobicContact CD1-CE2 4.4Å; F641-F665 AromaticContact CE1-CD2 3.37Å; F641-F665 HydrophobicContact CE1-CD2 3.37Å; F641-F665 AromaticContact CE1-CE2 3.34Å; F641-F665 HydrophobicContact CE1-CE2 3.34Å; F641-F665 HydrophobicContact CE1-CG 4.31Å; F641-F665 HydrophobicContact CE1-CZ 4.2Å; F641-F665 HydrophobicContact CZ-CD2 4.01Å; F641-F665 AromaticContact CZ-CE2 3.81Å; F641-F665 HydrophobicContact CZ-CE2 3.81Å; L649-F665 HydrophobicContact CD2-CE1 4.09Å; L649-F665 HydrophobicContact CD2-CZ 4.08Å; V662-F665 VanDerWaalsContact CA-CD2 3.48Å; V662-F665 HydrophobicContact CB-CD2 4.41Å; V662-F665 HydrophobicContact CG2-CD2 4.22Å; V662-F665 HydrophobicContact CG2-CE2 4.06Å; V662-F665 HydrophobicContact CG2-CZ 4.46Å; V662-F665 WeakPolarHBondContact O-CB 3.38Å; V662-F665 PolarHBondContact O-N 3.37Å; I663-F665 VanDerWaalsContact C-N 3.3Å; I663-F665 PolarHBondContact O-N 3.45Å; F665-H667 PolarHBondContact O-N 3.17Å; F665-L668 HydrophobicContact CD1-CD1 3.99Å; F665-L668 HydrophobicContact CE1-CD1 4.39Å; F665-L668 HydrophobicContact CG-CD1 4.16Å; F665-L668 WeakPolarHBondContact O-CB 3.36Å; F665-L668 PolarHBondContact O-N 3.07Å; F665-L671 HydrophobicContact CD1-CD2 3.57Å; F665-L671 HydrophobicContact CE1-CD2 3.81Å; F665-L674 HydrophobicContact CD1-CD2 4.43Å; F665-L674 HydrophobicContact CE1-CD1 3.91Å; F665-L674 HydrophobicContact CE1-CD2 3.73Å; F665-L674 HydrophobicContact CE1-CG 4.47Å; F665-L674 HydrophobicContact CZ-CD1 4.35Å; F665-L674 HydrophobicContact CZ-CD2 4.38Å; F665-V691 HydrophobicContact CB-CG1 3.31Å; F665-V691 HydrophobicContact CD1-CG1 4.05Å; F665-V691 HydrophobicContact CG-CG1 4.12Å
666	Q	81.8	Confident	89.3	Confident	91 Å²	91	50.4 Å²	50.4	43%	0.425	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-54.1	-23	168.2	72.6	-174.9	-8.9	0	0	113.7	I663 S664 H690	I663-Q666 VanDerWaalsContact O-CG 3.24Å; I663-Q666 WeakPolarHBondContact O-CG 3.5Å; I663-Q666 PolarHBondContact O-N 3.24Å; S664-Q666 PolarHBondContact O-N 3.3Å; S664-Q666 VanDerWaalsContact O-N 3.15Å; Q666-H690 HydrophobicContact CB-CB 4.45Å
667	H	86.4	Confident	89.3	Confident	85 Å²	85	53.2 Å²	53.2	39%	0.394	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-81.2	-27.3	176.1	-55.4	-60.4	0	0	0	112.2	S664 F665 K669	S664-H667 PolarHBondContact O-CD2 3.31Å; S664-H667 PolarHBondContact O-N 2.92Å; S664-H667 VanDerWaalsContact O-N 3.14Å; F665-H667 PolarHBondContact O-N 3.17Å; H667-K669 PolarHBondContact O-N 3.48Å
668	L	89.9	Confident	89.5	Confident	6 Å²	6	52.2 Å²	52.2	3%	0.031	24%	0.241	C	C	.	.			trans	-79.8	59.8	178.6	-59.1	-178.6	0	0	0	111.7	I640 F641 L643 L646 F665 R670 L671	I640-L668 HydrophobicContact CG2-CD1 4.49Å; F641-L668 HydrophobicContact CD1-CD1 4.07Å; F641-L668 HydrophobicContact CD1-CG 4.43Å; L643-L668 HydrophobicContact CB-CD2 4.48Å; L643-L668 VanDerWaalsContact O-CD2 3.28Å; L643-L668 WeakPolarHBondContact O-CD2 3.35Å; L646-L668 HydrophobicContact CB-CD2 4.36Å; L646-L668 HydrophobicContact CD2-CD1 4.35Å; F665-L668 HydrophobicContact CD1-CD1 3.99Å; F665-L668 HydrophobicContact CE1-CD1 4.39Å; F665-L668 HydrophobicContact CG-CD1 4.16Å; F665-L668 WeakPolarHBondContact O-CB 3.36Å; F665-L668 PolarHBondContact O-N 3.07Å; L668-R670 PolarHBondContact O-N 2.9Å; L668-L671 HydrophobicContact CB-CB 4.12Å; L668-L671 HydrophobicContact CD1-CD2 4.48Å; L668-L671 WeakPolarHBondContact O-CB 3.42Å; L668-L671 PolarHBondContact O-N 3.47Å
669	K	86.6	Confident	89.8	Confident	159 Å²	159	50.7 Å²	50.7	69%	0.691	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.4	-171.8	-66.4	179.8	-177.9	177.9	0	114.9	H667 N693	H667-K669 PolarHBondContact O-N 3.48Å; K669-N693 PolarHBondContact O-ND2 3.19Å
670	R	93	Very high	90.1	Very high	144 Å²	144	55.1 Å²	55.1	54%	0.543	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-2.4	179.2	-68.2	-171.4	176.7	175.8	-2.2	114.5	N645 L646 Q647 L668 T672	N645-R670 PolarHBondContact OD1-NH1 3.38Å; L646-R670 CarbonylContact O-C 3.57Å; L646-R670 WeakPolarHBondContact O-CB 3.46Å; Q647-R670 HydrophobicContact CG-CB 4.23Å; L668-R670 PolarHBondContact O-N 2.9Å; R670-T672 PolarHBondContact O-N 2.97Å
671	L	94.6	Very high	90.7	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	22%	0.224	C	C	.	.			trans	-66	118.7	-175.9	-165.5	78.2	0	0	0	111.1	L646 Q647 L649 F665 L668 L674 N693 L694	L646-L671 HydrophobicContact CD2-CD1 4.25Å; L646-L671 HydrophobicContact CG-CD1 4.27Å; L646-L671 WeakPolarHBondContact O-CA 3.43Å; L646-L671 PolarHBondContact O-N 3.47Å; L646-L671 VanDerWaalsContact O-N 3.09Å; Q647-L671 WeakPolarHBondContact O-CD1 3.38Å; L649-L671 HydrophobicContact CB-CD1 3.98Å; F665-L671 HydrophobicContact CD1-CD2 3.57Å; F665-L671 HydrophobicContact CE1-CD2 3.81Å; L668-L671 HydrophobicContact CB-CB 4.12Å; L668-L671 HydrophobicContact CD1-CD2 4.48Å; L668-L671 WeakPolarHBondContact O-CB 3.42Å; L668-L671 PolarHBondContact O-N 3.47Å; L671-L674 HydrophobicContact CD2-CB 4.45Å; L671-N693 CarbonylContact O-C 3.58Å; L671-L694 HydrophobicContact CD2-CD1 4.26Å; L671-L694 HydrophobicContact CG-CD1 4.34Å
672	T	96.2	Very high	91.3	Very high	50 Å²	50	51.3 Å²	51.3	31%	0.307	24%	0.235	S	C	.	.			trans	-112.1	-25.5	176.9	52.7	0	0	0	0	112.1	Q647 R670 E695 S696	Q647-T672 PolarHBondContact O-N 3.33Å; Q647-T672 PolarHBondContact O-OG1 2.86Å; R670-T672 PolarHBondContact O-N 2.97Å; T672-E695 HydrophobicContact CG2-CG 4.4Å; T672-E695 PolarHBondContact O-N 3.49Å; T672-S696 PolarHBondContact O-N 2.82Å
673	C	97.1	Very high	91.9	Very high	9 Å²	9	55.3 Å²	55.3	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.1	-178	-169.7	0	0	0	0	112.1	Q647 E648 L649 S696	Q647-C673 PolarHBondContact O-N 3.49Å; E648-C673 WeakPolarHBondContact CA-O 3.16Å; E648-C673 HydrophobicContact CB-CB 4.02Å; E648-C673 HydrophobicContact CG-CB 3.81Å; E648-C673 WeakPolarHBondContact OE2-CB 3.5Å; E648-C673 PolarHBondContact OE2-SG 3.42Å; L649-C673 PolarHBondContact N-O 3.25Å; L649-C673 VanDerWaalsContact N-O 3.07Å; C673-S696 WeakPolarHBondContact CA-O 3.41Å
674	L	95.8	Very high	92.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	114	178	179.9	55.6	0	0	0	110.3	L649 F665 L671 L676 L694 S696 L697 Y698	L649-L674 HydrophobicContact CB-CD1 4.13Å; L649-L674 HydrophobicContact CD2-CD1 3.99Å; L649-L674 HydrophobicContact CG-CD1 4.14Å; F665-L674 HydrophobicContact CD1-CD2 4.43Å; F665-L674 HydrophobicContact CE1-CD1 3.91Å; F665-L674 HydrophobicContact CE1-CD2 3.73Å; F665-L674 HydrophobicContact CE1-CG 4.47Å; F665-L674 HydrophobicContact CZ-CD1 4.35Å; F665-L674 HydrophobicContact CZ-CD2 4.38Å; L671-L674 HydrophobicContact CD2-CB 4.45Å; L674-L676 HydrophobicContact CD1-CD1 4.07Å; L674-L676 HydrophobicContact CD1-CD2 4.15Å; L674-L676 HydrophobicContact CD1-CG 3.88Å; L674-L676 HydrophobicContact CD2-CD1 3.92Å; L674-L676 HydrophobicContact CG-CD1 3.88Å; L674-L676 HydrophobicContact CG-CG 3.96Å; L674-L694 HydrophobicContact CB-CD1 3.75Å; L674-L694 HydrophobicContact CB-CD2 4.43Å; L674-S696 PolarHBondContact N-O 2.89Å; L674-L697 HydrophobicContact CB-CD1 4.07Å; L674-L697 HydrophobicContact CD2-CD1 4.01Å; L674-L697 HydrophobicContact CG-CD1 4.04Å; L674-L697 WeakPolarHBondContact O-CA 3.48Å; L674-Y698 PolarHBondContact O-N 3.23Å
675	K	96.9	Very high	93	Very high	33 Å²	33	51.2 Å²	51.2	14%	0.143	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115.7	178.6	-67.9	163.3	-174.9	169.9	0	109.9	E648 L649 D650 L651 W677 Y698	E648-K675 IonicContact OE1-NZ 3.91Å; E648-K675 PolarHBondContact OE1-NZ 3.39Å; E648-K675 IonicContact OE2-NZ 2.9Å; E648-K675 PolarHBondContact OE2-NZ 3.46Å; E648-K675 VanDerWaalsContact OE2-NZ 3.17Å; L649-K675 PolarHBondContact O-N 3.25Å; D650-K675 HydrophobicContact CB-CB 3.92Å; D650-K675 HydrophobicContact CB-CD 4.07Å; D650-K675 WeakPolarHBondContact OD1-CB 3.11Å; L651-K675 PolarHBondContact N-O 2.89Å; K675-W677 HydrophobicContact CD-CH2 4.34Å; K675-W677 HydrophobicContact CD-CZ2 4.22Å; K675-W677 HydrophobicContact CG-CZ2 4.48Å; K675-Y698 HydrophobicContact CB-CD2 4.46Å; K675-Y698 HydrophobicContact CG-CD2 3.45Å; K675-Y698 VanDerWaalsContact CG-CD2 3.45Å; K675-Y698 HydrophobicContact CG-CE2 3.92Å; K675-Y698 HydrophobicContact CG-CG 4.04Å
676	L	95.8	Very high	93.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.262	C	S	.	.			trans	-133.5	19.4	-177.2	-65.7	175.1	0	0	0	111.4	I636 L651 I656 I659 L674 N679 I681 Y698 L699 N702	I636-L676 HydrophobicContact CD1-CD2 4.42Å; L651-L676 HydrophobicContact CB-CD2 4.02Å; L651-L676 HydrophobicContact CD1-CD2 4.07Å; L651-L676 HydrophobicContact CG-CD2 4.35Å; I656-L676 HydrophobicContact CD1-CD2 4.49Å; I659-L676 HydrophobicContact CD1-CD1 4.28Å; I659-L676 HydrophobicContact CG2-CD1 4.28Å; L674-L676 HydrophobicContact CD1-CD1 4.07Å; L674-L676 HydrophobicContact CD1-CD2 4.15Å; L674-L676 HydrophobicContact CD1-CG 3.88Å; L674-L676 HydrophobicContact CD2-CD1 3.92Å; L674-L676 HydrophobicContact CG-CD1 3.88Å; L674-L676 HydrophobicContact CG-CG 3.96Å; L676-N679 PolarHBondContact O-ND2 2.88Å; L676-I681 HydrophobicContact CB-CD1 3.95Å; L676-I681 HydrophobicContact CD1-CD1 4.23Å; L676-Y698 CarbonylContact C-O 3.34Å; L676-Y698 WeakPolarHBondContact CA-O 3.41Å; L676-Y698 PolarHBondContact N-O 3.28Å; L676-L699 HydrophobicContact CB-CD2 3.78Å; L676-L699 HydrophobicContact CD1-CD2 4.08Å; L676-N702 PolarHBondContact O-ND2 3.36Å
677	W	95.6	Very high	93.6	Very high	60 Å²	60	53.5 Å²	53.5	23%	0.227	25%	0.25	C	S	.	.			trans	-66.1	165.1	178.2	58	35.6	0	0	0	112	K652 S653 K675 N679 Y698 S700	K652-W677 HydrophobicContact CD-CZ2 4.46Å; K652-W677 VanDerWaalsContact CD-NE1 3.35Å; S653-W677 PolarHBondContact N-O 2.96Å; K675-W677 HydrophobicContact CD-CH2 4.34Å; K675-W677 HydrophobicContact CD-CZ2 4.22Å; K675-W677 HydrophobicContact CG-CZ2 4.48Å; W677-N679 PolarHBondContact O-N 3.02Å; W677-N679 PolarHBondContact O-ND2 2.7Å; W677-Y698 AromaticContact CE3-CD1 3.53Å; W677-Y698 HydrophobicContact CE3-CD1 3.53Å; W677-Y698 HydrophobicContact CE3-CE1 4.38Å; W677-Y698 AromaticContact CE3-CG 3.83Å; W677-Y698 HydrophobicContact CE3-CG 3.83Å; W677-Y698 HydrophobicContact CH2-CD1 4.2Å; W677-Y698 HydrophobicContact CH2-CE1 4.34Å; W677-Y698 AromaticContact CZ3-CD1 3.2Å; W677-Y698 HydrophobicContact CZ3-CD1 3.2Å; W677-Y698 AromaticContact CZ3-CE1 3.61Å; W677-Y698 HydrophobicContact CZ3-CE1 3.61Å; W677-Y698 AromaticContact CZ3-CG 3.77Å; W677-Y698 HydrophobicContact CZ3-CG 3.77Å; W677-Y698 PolarHBondContact N-O 3.48Å; W677-S700 CarbonylContact C-O 3.41Å; W677-S700 WeakPolarHBondContact CA-O 3.23Å; W677-S700 VanDerWaalsContact CB-O 3.27Å; W677-S700 WeakPolarHBondContact CB-O 3.23Å; W677-S700 VanDerWaalsContact CB-OG 3.32Å; W677-S700 WeakPolarHBondContact CB-OG 3.42Å
678	Y	96.3	Very high	93.8	Very high	125 Å²	125	49.6 Å²	49.6	49%	0.49	23%	0.232	S	C	.	.	S	Bend	trans	50.3	55.4	-178.5	-66.5	-84.3	0	0	0	112.6	S653 N654 S700 H701	S653-Y678 WeakPolarHBondContact CA-O 3.43Å; S653-Y678 PolarHBondContact N-O 3.27Å; N654-Y678 PolarHBondContact N-O 3.05Å; Y678-S700 PolarHBondContact N-O 3.26Å; Y678-H701 WeakPolarHBondContact CA-O 3.4Å; Y678-H701 HydrophobicContact CD1-CB 3.67Å; Y678-H701 AromaticContact CD1-CG 3.83Å; Y678-H701 HydrophobicContact CE1-CB 3.94Å; Y678-H701 AromaticContact CE1-CD2 3.6Å; Y678-H701 AromaticContact CE1-CG 3.54Å; Y678-H701 AromaticContact CE1-ND1 3.87Å; Y678-H701 AromaticContact CE1-NE2 3.98Å; Y678-H701 AromaticContact CE2-CD2 3.79Å; Y678-H701 HydrophobicContact CG-CB 4Å; Y678-H701 AromaticContact CZ-CD2 3.39Å; Y678-H701 AromaticContact CZ-CG 3.86Å; Y678-H701 AromaticContact CZ-NE2 3.68Å; Y678-H701 PolarHBondContact N-O 3.42Å; Y678-H701 PolarHBondContact OH-NE2 2.91Å
679	N	96.6	Very high	93.7	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.064	24%	0.24	C	C	.	.	S	Bend	trans	-133	-163.8	179.1	-89.8	-83.9	0	0	0	109.6	L651 N654 I656 L676 W677 I681 H701 N702	L651-N679 PolarHBondContact O-ND2 2.69Å; N654-N679 WeakPolarHBondContact CA-OD1 3.43Å; N654-N679 VanDerWaalsContact CB-OD1 3.25Å; N654-N679 WeakPolarHBondContact CB-OD1 3.41Å; N654-N679 PolarHBondContact O-OD1 2.89Å; I656-N679 HydrophobicContact CB-CB 4.41Å; I656-N679 VanDerWaalsContact CB-OD1 3.22Å; I656-N679 WeakPolarHBondContact CB-OD1 3.41Å; I656-N679 VanDerWaalsContact CG1-OD1 3.32Å; I656-N679 WeakPolarHBondContact CG1-OD1 3.49Å; I656-N679 PolarHBondContact N-OD1 2.9Å; L676-N679 PolarHBondContact O-ND2 2.88Å; W677-N679 PolarHBondContact O-N 3.02Å; W677-N679 PolarHBondContact O-ND2 2.7Å; N679-I681 HydrophobicContact CB-CD1 4.32Å; N679-I681 HydrophobicContact CB-CG1 4.21Å; N679-H701 PolarHBondContact N-O 3.02Å; N679-H701 VanDerWaalsContact N-O 3.09Å; N679-N702 WeakPolarHBondContact CA-OD1 3.44Å; N679-N702 WeakPolarHBondContact CB-OD1 3.42Å; N679-N702 PolarHBondContact O-OD1 2.99Å
680	K	96.1	Very high	93.7	Very high	94 Å²	94	47 Å²	47	41%	0.409	23%	0.225	S	C	.	.			trans	-125	25.8	-175	-67.6	168.4	-175.9	167.3	0	111.4	N655 I656 R657 I682 N702	N655-K680 PolarHBondContact OD1-NZ 2.59Å; I656-K680 CarbonylContact O-C 3.12Å; I656-K680 VanDerWaalsContact O-CA 3.28Å; I656-K680 WeakPolarHBondContact O-CA 3.44Å; I656-K680 PolarHBondContact O-N 2.92Å; R657-K680 WeakPolarHBondContact CA-O 3.41Å; R657-K680 HydrophobicContact CG-CB 4.3Å; K680-I682 PolarHBondContact O-N 2.71Å; K680-N702 PolarHBondContact N-OD1 3Å
681	I	96.4	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.			trans	-68.6	124.5	-173.2	-56.9	167.7	0	0	0	109.8	I656 R657 I659 L676 N679 L699 N702 K703 L704	I656-I681 HydrophobicContact CG2-CG1 4.2Å; I656-I681 WeakPolarHBondContact O-CG1 3.3Å; I656-I681 PolarHBondContact O-N 3.5Å; I656-I681 VanDerWaalsContact O-N 3.13Å; R657-I681 WeakPolarHBondContact O-CA 3.45Å; I659-I681 HydrophobicContact CD1-CG2 4.36Å; I659-I681 HydrophobicContact CG1-CG2 4.37Å; I659-I681 HydrophobicContact CG2-CD1 3.74Å; I659-I681 HydrophobicContact CG2-CG1 4.11Å; I659-I681 HydrophobicContact CG2-CG2 4.47Å; L676-I681 HydrophobicContact CB-CD1 3.95Å; L676-I681 HydrophobicContact CD1-CD1 4.23Å; N679-I681 HydrophobicContact CB-CD1 4.32Å; N679-I681 HydrophobicContact CB-CG1 4.21Å; I681-L699 HydrophobicContact CD1-CD2 3.86Å; I681-N702 HydrophobicContact CB-CB 4.38Å; I681-N702 VanDerWaalsContact CB-OD1 3.29Å; I681-N702 WeakPolarHBondContact CB-OD1 3.42Å; I681-N702 WeakPolarHBondContact CG1-OD1 3.41Å; I681-N702 PolarHBondContact N-OD1 2.76Å; I681-K703 CarbonylContact O-C 3.6Å; I681-K703 VanDerWaalsContact O-C 3.24Å; I681-K703 WeakPolarHBondContact O-CA 3.42Å; I681-K703 PolarHBondContact O-N 3.49Å; I681-L704 HydrophobicContact CG2-CD2 3.96Å; I681-L704 PolarHBondContact O-N 3.19Å
682	I	94.6	Very high	93.3	Very high	78 Å²	78	47.3 Å²	47.3	40%	0.4	23%	0.231	S	C	.	.			trans	-93.3	-38.1	-175.4	-52.8	176.6	0	0	0	111.9	R657 K680 L704	R657-I682 PolarHBondContact O-N 2.94Å; K680-I682 PolarHBondContact O-N 2.71Å; I682-L704 WeakPolarHBondContact O-CA 3.11Å
683	N	93.1	Very high	93.1	Very high	84 Å²	84	48 Å²	48	45%	0.449	23%	0.233	S	C	.	.			trans	-143.5	149.3	-178	-77.3	-57.8	0	0	0	111.5
684	I	94	Very high	93	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.056	23%	0.23	C	C	.	.			trans	-92.7	129.7	168.9	-55.9	168.9	0	0	0	107.9	I688 L699 L704 L707 P708 L711	I684-I688 HydrophobicContact CG2-CB 3.87Å; I684-I688 HydrophobicContact CG2-CG1 4.02Å; I684-I688 HydrophobicContact CG2-CG2 3.9Å; I684-L699 HydrophobicContact CD1-CD1 3.68Å; I684-L699 HydrophobicContact CG1-CD1 4.14Å; I684-L704 HydrophobicContact CD1-CD1 4.01Å; I684-L704 HydrophobicContact CG1-CD1 4.18Å; I684-L704 HydrophobicContact CG1-CD2 3.89Å; I684-L707 HydrophobicContact CD1-CD2 4.27Å; I684-P708 HydrophobicContact CB-CG 3.78Å; I684-P708 HydrophobicContact CG2-CG 3.89Å; I684-P708 WeakPolarHBondContact O-CG 3.47Å; I684-L711 HydrophobicContact CD1-CD2 4.02Å
685	P	92.4	Very high	93	Very high	28 Å²	28	49.8 Å²	49.8	18%	0.182	24%	0.241	C	C	.	.			trans	-76.9	151.2	179	31.4	-35.8	0	0	0	112.2	I659 V662 S687 I688	I659-P685 HydrophobicContact CG1-CG 4.26Å; I659-P685 WeakPolarHBondContact O-CG 3.45Å; V662-P685 HydrophobicContact CB-CG 4Å; V662-P685 HydrophobicContact CG1-CG 4.31Å; V662-P685 HydrophobicContact CG2-CG 4.47Å; P685-S687 PolarHBondContact O-N 3.32Å; P685-I688 WeakPolarHBondContact O-CB 3.29Å; P685-I688 WeakPolarHBondContact O-CG2 3.2Å; P685-I688 PolarHBondContact O-N 3.32Å
686	L	90.1	Very high	93.1	Very high	118 Å²	118	49.6 Å²	49.6	62%	0.618	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-55.3	-28.9	178.1	-55.6	175.9	0	0	0	113.1	I688 S689 P708 P710	L686-I688 PolarHBondContact O-N 3.02Å; L686-I688 VanDerWaalsContact O-N 3.14Å; L686-S689 PolarHBondContact O-N 3.35Å; L686-S689 PolarHBondContact O-OG 3.08Å; L686-P708 HydrophobicContact CD2-CB 4.05Å; L686-P710 HydrophobicContact CB-CG 4.17Å; L686-P710 HydrophobicContact CD2-CG 3.88Å; L686-P710 VanDerWaalsContact O-CB 3.24Å; L686-P710 WeakPolarHBondContact O-CB 3.45Å
687	S	88.9	Confident	93.1	Very high	25 Å²	25	49.7 Å²	49.7	18%	0.175	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-65.3	-7.3	177.4	-46.1	0	0	0	0	114.6	I663 P685 S689 H690	I663-S687 VanDerWaalsContact CG1-OG 3.31Å; I663-S687 WeakPolarHBondContact CG1-OG 3.48Å; P685-S687 PolarHBondContact O-N 3.32Å; S687-S689 PolarHBondContact O-N 2.99Å; S687-S689 VanDerWaalsContact O-N 3.13Å; S687-H690 VanDerWaalsContact O-CB 3.29Å; S687-H690 WeakPolarHBondContact O-CB 3.29Å; S687-H690 VanDerWaalsContact O-CG 3.31Å; S687-H690 PolarHBondContact O-N 3.47Å
688	I	90.6	Very high	93.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-56.3	-25.8	171.8	-163.6	65.2	0	0	0	112.4	V662 I684 P685 L686 H690 V691 P710 L711 L714	V662-I688 HydrophobicContact CG1-CB 4.26Å; V662-I688 HydrophobicContact CG1-CD1 3.88Å; V662-I688 HydrophobicContact CG2-CD1 4.43Å; I684-I688 HydrophobicContact CG2-CB 3.87Å; I684-I688 HydrophobicContact CG2-CG1 4.02Å; I684-I688 HydrophobicContact CG2-CG2 3.9Å; P685-I688 WeakPolarHBondContact O-CB 3.29Å; P685-I688 WeakPolarHBondContact O-CG2 3.2Å; P685-I688 PolarHBondContact O-N 3.32Å; L686-I688 PolarHBondContact O-N 3.02Å; L686-I688 VanDerWaalsContact O-N 3.14Å; I688-H690 PolarHBondContact O-N 2.93Å; I688-V691 HydrophobicContact CD1-CG2 3.89Å; I688-V691 HydrophobicContact CG1-CG2 4.37Å; I688-V691 WeakPolarHBondContact O-CG2 3.46Å; I688-V691 PolarHBondContact O-N 3.31Å; I688-P710 HydrophobicContact CG2-CB 4.38Å; I688-L711 HydrophobicContact CG1-CD1 4.15Å; I688-L711 HydrophobicContact CG2-CB 4.28Å; I688-L714 HydrophobicContact CG1-CD1 4.28Å
689	S	87.3	Confident	93.2	Very high	28 Å²	28	42.7 Å²	42.7	20%	0.196	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-60.2	-11.1	171.2	53.4	0	0	0	0	115.2	L686 S687 K692 T713	L686-S689 PolarHBondContact O-N 3.35Å; L686-S689 PolarHBondContact O-OG 3.08Å; S687-S689 PolarHBondContact O-N 2.99Å; S687-S689 VanDerWaalsContact O-N 3.13Å; S689-K692 WeakPolarHBondContact O-CE 3.49Å; S689-K692 VanDerWaalsContact O-CG 3.31Å; S689-K692 WeakPolarHBondContact O-CG 3.48Å; S689-T713 WeakPolarHBondContact CB-OG1 3.32Å
690	H	87	Confident	93.2	Very high	82 Å²	82	42.5 Å²	42.5	38%	0.38	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-78.3	-27.2	176.2	-62.2	176	0	0	0	113.1	Q666 S687 I688 K692	Q666-H690 HydrophobicContact CB-CB 4.45Å; S687-H690 VanDerWaalsContact O-CB 3.29Å; S687-H690 WeakPolarHBondContact O-CB 3.29Å; S687-H690 VanDerWaalsContact O-CG 3.31Å; S687-H690 PolarHBondContact O-N 3.47Å; I688-H690 PolarHBondContact O-N 2.93Å; H690-K692 PolarHBondContact O-N 2.78Å
691	V	89.4	Confident	93.2	Very high	10 Å²	10	41 Å²	41	6%	0.061	21%	0.211	C	C	.	.			trans	-83.4	52.6	-178.1	-66.8	0	0	0	0	113.3	F665 I688 N693 L694 L714	F665-V691 HydrophobicContact CB-CG1 3.31Å; F665-V691 HydrophobicContact CD1-CG1 4.05Å; F665-V691 HydrophobicContact CG-CG1 4.12Å; I688-V691 HydrophobicContact CD1-CG2 3.89Å; I688-V691 HydrophobicContact CG1-CG2 4.37Å; I688-V691 WeakPolarHBondContact O-CG2 3.46Å; I688-V691 PolarHBondContact O-N 3.31Å; V691-N693 PolarHBondContact O-N 2.62Å; V691-L694 HydrophobicContact CB-CB 4.5Å; V691-L694 HydrophobicContact CG2-CB 4.3Å; V691-L694 HydrophobicContact CG2-CD2 4.21Å; V691-L694 VanDerWaalsContact O-CB 3.31Å; V691-L694 WeakPolarHBondContact O-CB 3.43Å; V691-L694 PolarHBondContact O-N 3.06Å; V691-L714 HydrophobicContact CG2-CD1 4.15Å; V691-L714 HydrophobicContact CG2-CD2 4.26Å; V691-L714 WeakPolarHBondContact O-CD2 3.14Å
692	K	88.7	Confident	93.3	Very high	145 Å²	145	41.6 Å²	41.6	63%	0.63	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-7.6	-172.4	-59.4	-178.8	-177.9	-179.1	0	116.1	S689 H690	S689-K692 WeakPolarHBondContact O-CE 3.49Å; S689-K692 VanDerWaalsContact O-CG 3.31Å; S689-K692 WeakPolarHBondContact O-CG 3.48Å; H690-K692 PolarHBondContact O-N 2.78Å
693	N	92.6	Very high	93.4	Very high	63 Å²	63	44 Å²	44	34%	0.337	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-3.4	175.9	-76.9	-26.4	0	0	0	114.4	K669 L671 V691 E695 K716	K669-N693 PolarHBondContact O-ND2 3.19Å; L671-N693 CarbonylContact O-C 3.58Å; V691-N693 PolarHBondContact O-N 2.62Å; N693-E695 PolarHBondContact O-N 2.82Å; N693-K716 PolarHBondContact OD1-NZ 3.23Å
694	L	94.6	Very high	93.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.			trans	-66.1	126.5	-179.6	-159.4	73.2	0	0	0	111.5	L671 L674 V691 L697 L714 K716 L717	L671-L694 HydrophobicContact CD2-CD1 4.26Å; L671-L694 HydrophobicContact CG-CD1 4.34Å; L674-L694 HydrophobicContact CB-CD1 3.75Å; L674-L694 HydrophobicContact CB-CD2 4.43Å; V691-L694 HydrophobicContact CB-CB 4.5Å; V691-L694 HydrophobicContact CG2-CB 4.3Å; V691-L694 HydrophobicContact CG2-CD2 4.21Å; V691-L694 VanDerWaalsContact O-CB 3.31Å; V691-L694 WeakPolarHBondContact O-CB 3.43Å; V691-L694 PolarHBondContact O-N 3.06Å; L694-L697 HydrophobicContact CD2-CB 3.86Å; L694-L697 HydrophobicContact CD2-CD1 4.17Å; L694-L697 HydrophobicContact CD2-CD2 4.35Å; L694-L697 HydrophobicContact CD2-CG 4.35Å; L694-L714 HydrophobicContact CB-CD1 4.44Å; L694-L714 HydrophobicContact CD2-CD1 4.15Å; L694-K716 CarbonylContact O-C 3.57Å; L694-L717 HydrophobicContact CD2-CD1 4.16Å; L694-L717 HydrophobicContact CG-CD1 4.18Å; L694-L717 PolarHBondContact O-N 2.85Å
695	E	96.6	Very high	93.6	Very high	48 Å²	48	45.8 Å²	45.8	22%	0.224	23%	0.227	C	C	.	.			trans	-108.4	-25.7	176.3	-55.4	-148.7	134.3	0	0	112.1	T672 N693 K716 R718 Y719	T672-E695 HydrophobicContact CG2-CG 4.4Å; T672-E695 PolarHBondContact O-N 3.49Å; N693-E695 PolarHBondContact O-N 2.82Å; E695-K716 HydrophobicContact CG-CB 4.38Å; E695-R718 HydrophobicContact CB-CG 4.33Å; E695-R718 VanDerWaalsContact CD-NE 3.3Å; E695-R718 WeakPolarHBondContact O-CA 3.29Å; E695-R718 PolarHBondContact O-N 3.25Å; E695-R718 IonicContact OE1-CZ 3.15Å; E695-R718 IonicContact OE1-NE 2.8Å; E695-R718 PolarHBondContact OE1-NE 3.06Å; E695-R718 IonicContact OE1-NH2 2.68Å; E695-R718 PolarHBondContact OE1-NH2 3.08Å; E695-R718 IonicContact OE2-CZ 3.29Å; E695-R718 IonicContact OE2-NE 3.95Å; E695-R718 PolarHBondContact OE2-NE 3.01Å; E695-R718 VanDerWaalsContact OE2-NE 3.12Å; E695-R718 IonicContact OE2-NH1 2.67Å; E695-R718 IonicContact OE2-NH2 3.76Å; E695-R718 PolarHBondContact OE2-NH2 3.5Å; E695-Y719 PolarHBondContact O-N 2.91Å
696	S	97.6	Very high	93.6	Very high	29 Å²	29	47.5 Å²	47.5	20%	0.203	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.2	179.4	-60.4	0	0	0	0	112.1	T672 C673 L674 Y719	T672-S696 PolarHBondContact O-N 2.82Å; C673-S696 WeakPolarHBondContact CA-O 3.41Å; L674-S696 PolarHBondContact N-O 2.89Å; S696-Y719 WeakPolarHBondContact CA-O 3.4Å
697	L	96.8	Very high	93.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.8	175.7	-179.5	59.1	0	0	0	110.8	L674 L694 L699 L711 L717 Y719 L720 D721	L674-L697 HydrophobicContact CB-CD1 4.07Å; L674-L697 HydrophobicContact CD2-CD1 4.01Å; L674-L697 HydrophobicContact CG-CD1 4.04Å; L674-L697 WeakPolarHBondContact O-CA 3.48Å; L694-L697 HydrophobicContact CD2-CB 3.86Å; L694-L697 HydrophobicContact CD2-CD1 4.17Å; L694-L697 HydrophobicContact CD2-CD2 4.35Å; L694-L697 HydrophobicContact CD2-CG 4.35Å; L697-L699 HydrophobicContact CD1-CD1 4.03Å; L697-L699 HydrophobicContact CD1-CG 4.1Å; L697-L699 HydrophobicContact CD2-CD1 3.79Å; L697-L699 HydrophobicContact CG-CD1 3.87Å; L697-L699 HydrophobicContact CG-CG 4.22Å; L697-L711 HydrophobicContact CD2-CD1 3.69Å; L697-L717 HydrophobicContact CB-CD1 4Å; L697-Y719 PolarHBondContact N-O 2.97Å; L697-L720 HydrophobicContact CB-CD1 4.16Å; L697-L720 HydrophobicContact CD2-CD1 4.03Å; L697-L720 HydrophobicContact CG-CD1 4.21Å; L697-L720 WeakPolarHBondContact O-CA 3.42Å; L697-D721 PolarHBondContact O-N 2.74Å
698	Y	97.4	Very high	94.1	Very high	36 Å²	36	42.1 Å²	42.1	14%	0.141	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.8	178.1	-54.2	-104.4	0	0	0	110.1	L674 K675 L676 W677 Y719 D721	L674-Y698 PolarHBondContact O-N 3.23Å; K675-Y698 HydrophobicContact CB-CD2 4.46Å; K675-Y698 HydrophobicContact CG-CD2 3.45Å; K675-Y698 VanDerWaalsContact CG-CD2 3.45Å; K675-Y698 HydrophobicContact CG-CE2 3.92Å; K675-Y698 HydrophobicContact CG-CG 4.04Å; L676-Y698 CarbonylContact C-O 3.34Å; L676-Y698 WeakPolarHBondContact CA-O 3.41Å; L676-Y698 PolarHBondContact N-O 3.28Å; W677-Y698 AromaticContact CE3-CD1 3.53Å; W677-Y698 HydrophobicContact CE3-CD1 3.53Å; W677-Y698 HydrophobicContact CE3-CE1 4.38Å; W677-Y698 AromaticContact CE3-CG 3.83Å; W677-Y698 HydrophobicContact CE3-CG 3.83Å; W677-Y698 HydrophobicContact CH2-CD1 4.2Å; W677-Y698 HydrophobicContact CH2-CE1 4.34Å; W677-Y698 AromaticContact CZ3-CD1 3.2Å; W677-Y698 HydrophobicContact CZ3-CD1 3.2Å; W677-Y698 AromaticContact CZ3-CE1 3.61Å; W677-Y698 HydrophobicContact CZ3-CE1 3.61Å; W677-Y698 AromaticContact CZ3-CG 3.77Å; W677-Y698 HydrophobicContact CZ3-CG 3.77Å; W677-Y698 PolarHBondContact N-O 3.48Å; Y698-Y719 HydrophobicContact CD1-CD1 4.01Å; Y698-Y719 AromaticContact CD1-CE1 3.42Å; Y698-Y719 HydrophobicContact CD1-CE1 3.42Å; Y698-Y719 VanDerWaalsContact CD1-CE1 3.42Å; Y698-Y719 AromaticContact CE1-CD1 3.58Å; Y698-Y719 HydrophobicContact CE1-CD1 3.58Å; Y698-Y719 AromaticContact CE1-CE1 3.01Å; Y698-Y719 HydrophobicContact CE1-CE1 3.01Å; Y698-Y719 HydrophobicContact CE1-CE2 4.33Å; Y698-Y719 HydrophobicContact CE1-CG 4.44Å; Y698-Y719 AromaticContact CE1-CZ 3.46Å; Y698-Y719 VanDerWaalsContact CE1-CZ 3.46Å; Y698-Y719 HydrophobicContact CE2-CD1 4.24Å; Y698-Y719 HydrophobicContact CE2-CE1 4.48Å; Y698-Y719 HydrophobicContact CG-CE1 4.34Å; Y698-Y719 AromaticContact CZ-CD1 3.69Å; Y698-Y719 AromaticContact CZ-CE1 3.62Å; Y698-D721 HydrophobicContact CD1-CB 4.19Å
699	L	96.4	Very high	94.1	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.231	C	C	.	.			trans	-133.5	18.9	-176.4	-78.5	164.6	0	0	0	111.8	L676 I681 I684 L697 N702 L704 D721 L722 N725	L676-L699 HydrophobicContact CB-CD2 3.78Å; L676-L699 HydrophobicContact CD1-CD2 4.08Å; I681-L699 HydrophobicContact CD1-CD2 3.86Å; I684-L699 HydrophobicContact CD1-CD1 3.68Å; I684-L699 HydrophobicContact CG1-CD1 4.14Å; L697-L699 HydrophobicContact CD1-CD1 4.03Å; L697-L699 HydrophobicContact CD1-CG 4.1Å; L697-L699 HydrophobicContact CD2-CD1 3.79Å; L697-L699 HydrophobicContact CG-CD1 3.87Å; L697-L699 HydrophobicContact CG-CG 4.22Å; L699-N702 WeakPolarHBondContact O-CB 3.42Å; L699-N702 PolarHBondContact O-ND2 2.85Å; L699-L704 HydrophobicContact CB-CD1 4.13Å; L699-L704 HydrophobicContact CD1-CD1 4.25Å; L699-D721 PolarHBondContact N-O 3.43Å; L699-L722 HydrophobicContact CB-CD2 4.09Å; L699-L722 HydrophobicContact CD1-CD2 4.15Å; L699-N725 PolarHBondContact O-ND2 3.21Å
700	S	96.6	Very high	94.4	Very high	7 Å²	7	44.9 Å²	44.9	5%	0.049	23%	0.229	C	C	.	.			trans	-65.3	156.4	-179.9	41	0	0	0	0	114	W677 Y678 N702 D721 S723	W677-S700 CarbonylContact C-O 3.41Å; W677-S700 WeakPolarHBondContact CA-O 3.23Å; W677-S700 VanDerWaalsContact CB-O 3.27Å; W677-S700 WeakPolarHBondContact CB-O 3.23Å; W677-S700 VanDerWaalsContact CB-OG 3.32Å; W677-S700 WeakPolarHBondContact CB-OG 3.42Å; Y678-S700 PolarHBondContact N-O 3.26Å; S700-N702 PolarHBondContact O-N 3.38Å; S700-N702 PolarHBondContact O-ND2 2.95Å; S700-D721 WeakPolarHBondContact CB-OD2 3.32Å; S700-D721 PolarHBondContact OG-OD2 3.43Å; S700-S723 CarbonylContact C-O 3.52Å; S700-S723 WeakPolarHBondContact CA-O 3.41Å; S700-S723 VanDerWaalsContact CB-O 3.24Å; S700-S723 WeakPolarHBondContact CB-O 3.21Å
701	H	96.9	Very high	94.7	Very high	63 Å²	63	41 Å²	41	29%	0.292	21%	0.211	S	C	.	.	S	Bend	trans	51.2	58.3	-175	-60.7	-88.6	0	0	0	112.2	Y678 N679 S723 H724	Y678-H701 WeakPolarHBondContact CA-O 3.4Å; Y678-H701 HydrophobicContact CD1-CB 3.67Å; Y678-H701 AromaticContact CD1-CG 3.83Å; Y678-H701 HydrophobicContact CE1-CB 3.94Å; Y678-H701 AromaticContact CE1-CD2 3.6Å; Y678-H701 AromaticContact CE1-CG 3.54Å; Y678-H701 AromaticContact CE1-ND1 3.87Å; Y678-H701 AromaticContact CE1-NE2 3.98Å; Y678-H701 AromaticContact CE2-CD2 3.79Å; Y678-H701 HydrophobicContact CG-CB 4Å; Y678-H701 AromaticContact CZ-CD2 3.39Å; Y678-H701 AromaticContact CZ-CG 3.86Å; Y678-H701 AromaticContact CZ-NE2 3.68Å; Y678-H701 PolarHBondContact N-O 3.42Å; Y678-H701 PolarHBondContact OH-NE2 2.91Å; N679-H701 PolarHBondContact N-O 3.02Å; N679-H701 VanDerWaalsContact N-O 3.09Å; H701-S723 PolarHBondContact N-O 3.45Å; H701-H724 VanDerWaalsContact CA-O 3.26Å; H701-H724 WeakPolarHBondContact CA-O 3.46Å; H701-H724 AromaticContact CE1-CD2 3.26Å; H701-H724 PolarHBondContact CE1-CD2 2.94Å; H701-H724 AromaticContact CE1-CG 3.42Å; H701-H724 VanDerWaalsContact CE1-CG 3.42Å; H701-H724 PolarHBondContact N-O 3.23Å; H701-H724 AromaticContact ND1-CG 3.82Å; H701-H724 AromaticContact NE2-CD2 3.25Å; H701-H724 PolarHBondContact NE2-CD2 3.44Å; H701-H724 AromaticContact NE2-CG 3.81Å
702	N	97.4	Very high	94.9	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.07	21%	0.208	C	C	.	.	S	Bend	trans	-128.1	-160.4	174	-86.6	-77.3	0	0	0	109.5	L676 N679 K680 I681 L699 S700 L704 H724 N725	L676-N702 PolarHBondContact O-ND2 3.36Å; N679-N702 WeakPolarHBondContact CA-OD1 3.44Å; N679-N702 WeakPolarHBondContact CB-OD1 3.42Å; N679-N702 PolarHBondContact O-OD1 2.99Å; K680-N702 PolarHBondContact N-OD1 3Å; I681-N702 HydrophobicContact CB-CB 4.38Å; I681-N702 VanDerWaalsContact CB-OD1 3.29Å; I681-N702 WeakPolarHBondContact CB-OD1 3.42Å; I681-N702 WeakPolarHBondContact CG1-OD1 3.41Å; I681-N702 PolarHBondContact N-OD1 2.76Å; L699-N702 WeakPolarHBondContact O-CB 3.42Å; L699-N702 PolarHBondContact O-ND2 2.85Å; S700-N702 PolarHBondContact O-N 3.38Å; S700-N702 PolarHBondContact O-ND2 2.95Å; N702-L704 HydrophobicContact CB-CG 4.45Å; N702-H724 PolarHBondContact N-O 2.94Å; N702-N725 WeakPolarHBondContact CA-OD1 3.46Å; N702-N725 WeakPolarHBondContact CB-OD1 3.4Å; N702-N725 PolarHBondContact O-OD1 3.04Å
703	K	96.4	Very high	95.1	Very high	129 Å²	129	36.7 Å²	36.7	56%	0.561	20%	0.197	S	C	*	.			trans	-126.4	33.1	-178.2	-61.9	-167.2	173.5	-162.4	0	112.3	I681 E705 N725	I681-K703 CarbonylContact O-C 3.6Å; I681-K703 VanDerWaalsContact O-C 3.24Å; I681-K703 WeakPolarHBondContact O-CA 3.42Å; I681-K703 PolarHBondContact O-N 3.49Å; K703-E705 PolarHBondContact O-N 3.5Å; K703-N725 PolarHBondContact N-OD1 3.4Å
704	L	96.4	Very high	95.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.			trans	-68.2	119.1	-179.2	-60.1	176.8	0	0	0	110.9	I681 I682 I684 L699 N702 L722 N725 S726 V727	I681-L704 HydrophobicContact CG2-CD2 3.96Å; I681-L704 PolarHBondContact O-N 3.19Å; I682-L704 WeakPolarHBondContact O-CA 3.11Å; I684-L704 HydrophobicContact CD1-CD1 4.01Å; I684-L704 HydrophobicContact CG1-CD1 4.18Å; I684-L704 HydrophobicContact CG1-CD2 3.89Å; L699-L704 HydrophobicContact CB-CD1 4.13Å; L699-L704 HydrophobicContact CD1-CD1 4.25Å; N702-L704 HydrophobicContact CB-CG 4.45Å; L704-L722 HydrophobicContact CD1-CD2 4Å; L704-N725 HydrophobicContact CB-CB 4.14Å; L704-N725 WeakPolarHBondContact CB-OD1 3.37Å; L704-N725 WeakPolarHBondContact CG-OD1 3.36Å; L704-N725 PolarHBondContact N-OD1 2.94Å; L704-S726 CarbonylContact O-C 3.59Å; L704-S726 WeakPolarHBondContact O-CA 3.45Å; L704-S726 PolarHBondContact O-N 3.4Å; L704-V727 HydrophobicContact CB-CG2 4.16Å; L704-V727 WeakPolarHBondContact O-CG2 3.49Å; L704-V727 PolarHBondContact O-N 3.49Å; L704-V727 VanDerWaalsContact O-N 3.12Å
705	E	94.4	Very high	95	Very high	131 Å²	131	38.6 Å²	38.6	61%	0.612	21%	0.207	S	C	*	.			trans	-92.5	-27.6	176.3	-62.7	-177.9	166.4	0	0	112.4	K703	K703-E705 PolarHBondContact O-N 3.5Å
706	S	93.5	Very high	95	Very high	65 Å²	65	40.8 Å²	40.8	46%	0.455	22%	0.216	S	C	.	.			trans	-144.7	159.7	-178.6	71.5	0	0	0	0	112.3
707	L	94.8	Very high	94.9	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.063	21%	0.206	C	C	.	.			trans	-113.3	123.9	176.8	-58.2	175.9	0	0	0	109.3	I684 L711 F712 L722 V727 P731 I745	I684-L707 HydrophobicContact CD1-CD2 4.27Å; L707-L711 HydrophobicContact CD2-CD2 4.42Å; L707-F712 HydrophobicContact CB-CE2 4.2Å; L707-F712 HydrophobicContact CB-CZ 4.14Å; L707-F712 HydrophobicContact CD1-CZ 4.06Å; L707-L722 HydrophobicContact CD1-CD1 3.65Å; L707-L722 HydrophobicContact CD2-CD1 3.79Å; L707-L722 HydrophobicContact CD2-CD2 3.91Å; L707-L722 HydrophobicContact CD2-CG 4.47Å; L707-L722 HydrophobicContact CG-CD1 4.39Å; L707-V727 HydrophobicContact CD1-CG1 3.93Å; L707-V727 HydrophobicContact CD2-CG2 4Å; L707-V727 HydrophobicContact CG-CG1 3.86Å; L707-V727 HydrophobicContact CG-CG2 4.11Å; L707-P731 HydrophobicContact CB-CG 4.06Å; L707-P731 WeakPolarHBondContact O-CG 3.5Å; L707-I745 HydrophobicContact CD1-CD1 4.33Å
708	P	94.1	Very high	95	Very high	18 Å²	18	44.5 Å²	44.5	12%	0.117	23%	0.225	C	C	.	.			trans	-78.4	136.9	-178.3	34.2	-37.6	0	0	0	110.4	I684 L686 P710 L711	I684-P708 HydrophobicContact CB-CG 3.78Å; I684-P708 HydrophobicContact CG2-CG 3.89Å; I684-P708 WeakPolarHBondContact O-CG 3.47Å; L686-P708 HydrophobicContact CD2-CB 4.05Å; P708-P710 VanDerWaalsContact C-CD 3.43Å; P708-P710 VanDerWaalsContact C-N 3.29Å; P708-P710 VanDerWaalsContact O-N 3.17Å; P708-L711 HydrophobicContact CG-CB 4.32Å; P708-L711 WeakPolarHBondContact O-CB 3.3Å; P708-L711 PolarHBondContact O-N 2.96Å
709	S	91.9	Very high	95	Very high	62 Å²	62	45.3 Å²	45.3	43%	0.434	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-56.4	-31.1	-179.7	52.4	0	0	0	0	115.1	L711 F712	S709-L711 PolarHBondContact O-N 3.36Å; S709-L711 VanDerWaalsContact O-N 3.15Å; S709-F712 PolarHBondContact O-N 3.5Å; S709-F712 VanDerWaalsContact O-N 3.16Å
710	P	92.7	Very high	95	Very high	26 Å²	26	45.2 Å²	45.2	17%	0.169	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-54.8	-24.7	169	-32.3	38.5	0	0	0	116.4	L686 I688 P708 F712 T713	L686-P710 HydrophobicContact CB-CG 4.17Å; L686-P710 HydrophobicContact CD2-CG 3.88Å; L686-P710 VanDerWaalsContact O-CB 3.24Å; L686-P710 WeakPolarHBondContact O-CB 3.45Å; I688-P710 HydrophobicContact CG2-CB 4.38Å; P708-P710 VanDerWaalsContact C-CD 3.43Å; P708-P710 VanDerWaalsContact C-N 3.29Å; P708-P710 VanDerWaalsContact O-N 3.17Å; P710-F712 PolarHBondContact O-N 2.89Å; P710-T713 WeakPolarHBondContact O-CB 3.45Å; P710-T713 PolarHBondContact O-N 2.85Å; P710-T713 VanDerWaalsContact O-N 3.16Å; P710-T713 PolarHBondContact O-OG1 3.23Å
711	L	93.9	Very high	95.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57.4	-40.1	175.7	177.8	62.5	0	0	0	111.6	I684 I688 L697 L707 P708 S709 T713 L714	I684-L711 HydrophobicContact CD1-CD2 4.02Å; I688-L711 HydrophobicContact CG1-CD1 4.15Å; I688-L711 HydrophobicContact CG2-CB 4.28Å; L697-L711 HydrophobicContact CD2-CD1 3.69Å; L707-L711 HydrophobicContact CD2-CD2 4.42Å; P708-L711 HydrophobicContact CG-CB 4.32Å; P708-L711 WeakPolarHBondContact O-CB 3.3Å; P708-L711 PolarHBondContact O-N 2.96Å; S709-L711 PolarHBondContact O-N 3.36Å; S709-L711 VanDerWaalsContact O-N 3.15Å; L711-T713 PolarHBondContact O-N 2.89Å; L711-L714 HydrophobicContact CD1-CD1 4.38Å; L711-L714 WeakPolarHBondContact O-CB 3.49Å; L711-L714 WeakPolarHBondContact O-CG 3.31Å; L711-L714 PolarHBondContact O-N 3.31Å
712	F	93.5	Very high	95.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-81.9	3.5	-176.2	-50.4	-75.7	0	0	0	113.3	L707 S709 P710 L714 L720 P731 E733 V734 L737	L707-F712 HydrophobicContact CB-CE2 4.2Å; L707-F712 HydrophobicContact CB-CZ 4.14Å; L707-F712 HydrophobicContact CD1-CZ 4.06Å; S709-F712 PolarHBondContact O-N 3.5Å; S709-F712 VanDerWaalsContact O-N 3.16Å; P710-F712 PolarHBondContact O-N 2.89Å; F712-L714 VanDerWaalsContact C-N 3.28Å; F712-L720 HydrophobicContact CE1-CD2 4.41Å; F712-P731 HydrophobicContact CD2-CB 4.43Å; F712-P731 HydrophobicContact CE2-CB 3.95Å; F712-P731 HydrophobicContact CE2-CG 3.77Å; F712-P731 HydrophobicContact CZ-CG 4.38Å; F712-E733 HydrophobicContact CB-CB 3.86Å; F712-E733 WeakPolarHBondContact CB-O 3.44Å; F712-E733 HydrophobicContact CD2-CB 4.03Å; F712-E733 HydrophobicContact CG-CB 4.2Å; F712-V734 VanDerWaalsContact CD1-CA 3.46Å; F712-V734 HydrophobicContact CD1-CB 3.81Å; F712-V734 HydrophobicContact CD1-CG2 3.92Å; F712-V734 HydrophobicContact CE1-CB 3.79Å; F712-V734 HydrophobicContact CE1-CG2 3.77Å; F712-V734 HydrophobicContact CG-CB 4.47Å; F712-V734 HydrophobicContact CZ-CB 4.47Å; F712-L737 HydrophobicContact CB-CG 4.35Å; F712-L737 HydrophobicContact CD1-CD1 3.74Å; F712-L737 HydrophobicContact CD1-CG 4.2Å; F712-L737 HydrophobicContact CE1-CD1 4.47Å; F712-L737 WeakPolarHBondContact O-CD2 3.43Å
713	T	92.3	Very high	95	Very high	65 Å²	65	42.5 Å²	42.5	40%	0.399	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-81.9	-6	169.1	70.3	0	0	0	0	113.1	S689 P710 L711 L715	S689-T713 WeakPolarHBondContact CB-OG1 3.32Å; P710-T713 WeakPolarHBondContact O-CB 3.45Å; P710-T713 PolarHBondContact O-N 2.85Å; P710-T713 VanDerWaalsContact O-N 3.16Å; P710-T713 PolarHBondContact O-OG1 3.23Å; L711-T713 PolarHBondContact O-N 2.89Å; T713-L715 VanDerWaalsContact C-N 3.27Å; T713-L715 PolarHBondContact O-N 2.9Å
714	L	93.4	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.			trans	-77.7	70	177.3	-63.5	-176.3	0	0	0	111.7	I688 V691 L694 L711 F712 K716 L717 L737	I688-L714 HydrophobicContact CG1-CD1 4.28Å; V691-L714 HydrophobicContact CG2-CD1 4.15Å; V691-L714 HydrophobicContact CG2-CD2 4.26Å; V691-L714 WeakPolarHBondContact O-CD2 3.14Å; L694-L714 HydrophobicContact CB-CD1 4.44Å; L694-L714 HydrophobicContact CD2-CD1 4.15Å; L711-L714 HydrophobicContact CD1-CD1 4.38Å; L711-L714 WeakPolarHBondContact O-CB 3.49Å; L711-L714 WeakPolarHBondContact O-CG 3.31Å; L711-L714 PolarHBondContact O-N 3.31Å; F712-L714 VanDerWaalsContact C-N 3.28Å; L714-K716 PolarHBondContact O-N 3.46Å; L714-L717 HydrophobicContact CB-CB 4.31Å; L714-L717 VanDerWaalsContact O-CB 3.25Å; L714-L717 WeakPolarHBondContact O-CB 3.29Å; L714-L717 PolarHBondContact O-N 3.09Å; L714-L737 VanDerWaalsContact O-CD2 3.24Å; L714-L737 WeakPolarHBondContact O-CD2 3.27Å
715	L	92.9	Very high	95.1	Very high	103 Å²	103	41.2 Å²	41.2	54%	0.539	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-12.1	-171.6	-55.7	-177	0	0	0	115.9	T713 F736 N739	T713-L715 VanDerWaalsContact C-N 3.27Å; T713-L715 PolarHBondContact O-N 2.9Å; L715-F736 HydrophobicContact CD2-CB 4.37Å; L715-F736 WeakPolarHBondContact CD2-O 3.28Å; L715-N739 PolarHBondContact O-ND2 3.32Å
716	K	95.4	Very high	95.2	Very high	93 Å²	93	36.9 Å²	36.9	40%	0.404	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-10.4	173.8	-69.7	-168.8	-177.5	177.9	0	114.3	N693 L694 E695 L714 R718	N693-K716 PolarHBondContact OD1-NZ 3.23Å; L694-K716 CarbonylContact O-C 3.57Å; E695-K716 HydrophobicContact CG-CB 4.38Å; L714-K716 PolarHBondContact O-N 3.46Å; K716-R718 VanDerWaalsContact O-CG 3.3Å; K716-R718 WeakPolarHBondContact O-CG 3.28Å; K716-R718 PolarHBondContact O-N 3.2Å
717	L	96.4	Very high	95.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.			trans	-62.2	121.5	-175.5	-157.2	72.3	0	0	0	110.7	L694 L697 L714 L720 L737 N739 L740	L694-L717 HydrophobicContact CD2-CD1 4.16Å; L694-L717 HydrophobicContact CG-CD1 4.18Å; L694-L717 PolarHBondContact O-N 2.85Å; L697-L717 HydrophobicContact CB-CD1 4Å; L714-L717 HydrophobicContact CB-CB 4.31Å; L714-L717 VanDerWaalsContact O-CB 3.25Å; L714-L717 WeakPolarHBondContact O-CB 3.29Å; L714-L717 PolarHBondContact O-N 3.09Å; L717-L720 HydrophobicContact CD2-CB 3.86Å; L717-L720 HydrophobicContact CD2-CD1 4.23Å; L717-L720 HydrophobicContact CD2-CD2 4.03Å; L717-L720 HydrophobicContact CD2-CG 4.26Å; L717-L737 HydrophobicContact CB-CD2 4.27Å; L717-L737 HydrophobicContact CD2-CD1 4.03Å; L717-N739 CarbonylContact O-C 3.6Å; L717-L740 WeakPolarHBondContact O-CA 3.32Å; L717-L740 PolarHBondContact O-N 2.73Å
718	R	97.1	Very high	95.3	Very high	109 Å²	109	35.4 Å²	35.4	41%	0.411	19%	0.19	S	C	.	.			trans	-108.1	-31.3	179.1	-47.7	-173.4	-166.7	-176.7	9	111.6	E695 K716 N739 Q741 H742	E695-R718 HydrophobicContact CB-CG 4.33Å; E695-R718 VanDerWaalsContact CD-NE 3.3Å; E695-R718 WeakPolarHBondContact O-CA 3.29Å; E695-R718 PolarHBondContact O-N 3.25Å; E695-R718 IonicContact OE1-CZ 3.15Å; E695-R718 IonicContact OE1-NE 2.8Å; E695-R718 PolarHBondContact OE1-NE 3.06Å; E695-R718 IonicContact OE1-NH2 2.68Å; E695-R718 PolarHBondContact OE1-NH2 3.08Å; E695-R718 IonicContact OE2-CZ 3.29Å; E695-R718 IonicContact OE2-NE 3.95Å; E695-R718 PolarHBondContact OE2-NE 3.01Å; E695-R718 VanDerWaalsContact OE2-NE 3.12Å; E695-R718 IonicContact OE2-NH1 2.67Å; E695-R718 IonicContact OE2-NH2 3.76Å; E695-R718 PolarHBondContact OE2-NH2 3.5Å; K716-R718 VanDerWaalsContact O-CG 3.3Å; K716-R718 WeakPolarHBondContact O-CG 3.28Å; K716-R718 PolarHBondContact O-N 3.2Å; R718-N739 WeakPolarHBondContact CA-O 3.09Å; R718-Q741 HydrophobicContact CB-CG 4.43Å; R718-Q741 WeakPolarHBondContact O-CA 3.44Å; R718-Q741 PolarHBondContact O-N 3.06Å; R718-H742 PolarHBondContact O-N 3.44Å
719	Y	97.8	Very high	95.3	Very high	53 Å²	53	39.3 Å²	39.3	21%	0.208	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.9	-179.8	-165.4	-71.5	0	0	0	110.1	E695 S696 L697 Y698 D721 H742	E695-Y719 PolarHBondContact O-N 2.91Å; S696-Y719 WeakPolarHBondContact CA-O 3.4Å; L697-Y719 PolarHBondContact N-O 2.97Å; Y698-Y719 HydrophobicContact CD1-CD1 4.01Å; Y698-Y719 AromaticContact CD1-CE1 3.42Å; Y698-Y719 HydrophobicContact CD1-CE1 3.42Å; Y698-Y719 VanDerWaalsContact CD1-CE1 3.42Å; Y698-Y719 AromaticContact CE1-CD1 3.58Å; Y698-Y719 HydrophobicContact CE1-CD1 3.58Å; Y698-Y719 AromaticContact CE1-CE1 3.01Å; Y698-Y719 HydrophobicContact CE1-CE1 3.01Å; Y698-Y719 HydrophobicContact CE1-CE2 4.33Å; Y698-Y719 HydrophobicContact CE1-CG 4.44Å; Y698-Y719 AromaticContact CE1-CZ 3.46Å; Y698-Y719 VanDerWaalsContact CE1-CZ 3.46Å; Y698-Y719 HydrophobicContact CE2-CD1 4.24Å; Y698-Y719 HydrophobicContact CE2-CE1 4.48Å; Y698-Y719 HydrophobicContact CG-CE1 4.34Å; Y698-Y719 AromaticContact CZ-CD1 3.69Å; Y698-Y719 AromaticContact CZ-CE1 3.62Å; Y719-D721 HydrophobicContact CD1-CB 4.49Å; Y719-D721 HydrophobicContact CE1-CB 3.72Å; Y719-H742 HydrophobicContact CD2-CB 3.45Å; Y719-H742 VanDerWaalsContact CD2-CB 3.45Å; Y719-H742 AromaticContact CD2-CD2 3.83Å; Y719-H742 AromaticContact CD2-CG 3.61Å; Y719-H742 AromaticContact CE1-CD2 3.69Å; Y719-H742 HydrophobicContact CE2-CB 3.71Å; Y719-H742 AromaticContact CE2-CD2 3.33Å; Y719-H742 WeakPolarHBondContact CE2-CD2 3.24Å; Y719-H742 AromaticContact CE2-CE1 3.94Å; Y719-H742 AromaticContact CE2-CG 3.29Å; Y719-H742 AromaticContact CE2-ND1 3.66Å; Y719-H742 AromaticContact CE2-NE2 3.76Å; Y719-H742 HydrophobicContact CG-CB 4.05Å; Y719-H742 AromaticContact CZ-CD2 3.25Å; Y719-H742 AromaticContact CZ-CE1 3.98Å; Y719-H742 AromaticContact CZ-CG 3.75Å; Y719-H742 AromaticContact CZ-NE2 3.44Å; Y719-H742 PolarHBondContact OH-NE2 3.41Å
720	L	97.6	Very high	95.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	116	174.9	177.2	56	0	0	0	110.1	L697 F712 L717 L722 L737 L740 H742 F743 A744	L697-L720 HydrophobicContact CB-CD1 4.16Å; L697-L720 HydrophobicContact CD2-CD1 4.03Å; L697-L720 HydrophobicContact CG-CD1 4.21Å; L697-L720 WeakPolarHBondContact O-CA 3.42Å; F712-L720 HydrophobicContact CE1-CD2 4.41Å; L717-L720 HydrophobicContact CD2-CB 3.86Å; L717-L720 HydrophobicContact CD2-CD1 4.23Å; L717-L720 HydrophobicContact CD2-CD2 4.03Å; L717-L720 HydrophobicContact CD2-CG 4.26Å; L720-L722 HydrophobicContact CD1-CD1 4.24Å; L720-L722 HydrophobicContact CD1-CD2 4.14Å; L720-L722 HydrophobicContact CD1-CG 3.95Å; L720-L722 HydrophobicContact CD2-CD1 4.15Å; L720-L722 HydrophobicContact CG-CD1 4.1Å; L720-L722 HydrophobicContact CG-CG 4.15Å; L720-L737 HydrophobicContact CD2-CD1 4.39Å; L720-L740 HydrophobicContact CB-CD1 3.96Å; L720-H742 PolarHBondContact N-O 3.43Å; L720-F743 HydrophobicContact CB-CD2 4.15Å; L720-F743 HydrophobicContact CD2-CD2 3.98Å; L720-F743 HydrophobicContact CD2-CE2 3.8Å; L720-F743 HydrophobicContact CG-CD2 4.06Å; L720-F743 HydrophobicContact CG-CE2 4.14Å; L720-F743 WeakPolarHBondContact O-CA 2.83Å; L720-A744 PolarHBondContact O-N 3.28Å
721	D	97.5	Very high	95.5	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.3	174.8	169	34	0	0	0	111	L697 Y698 L699 S700 Y719 S723 A744	L697-D721 PolarHBondContact O-N 2.74Å; Y698-D721 HydrophobicContact CD1-CB 4.19Å; L699-D721 PolarHBondContact N-O 3.43Å; S700-D721 WeakPolarHBondContact CB-OD2 3.32Å; S700-D721 PolarHBondContact OG-OD2 3.43Å; Y719-D721 HydrophobicContact CD1-CB 4.49Å; Y719-D721 HydrophobicContact CE1-CB 3.72Å; D721-S723 WeakPolarHBondContact OD1-CB 3.46Å; D721-S723 PolarHBondContact OD1-N 2.86Å; D721-S723 PolarHBondContact OD1-OG 3.48Å; D721-A744 HydrophobicContact CB-CB 4.32Å
722	L	96.8	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.			trans	-126.9	15.6	-177.6	-63.3	167.6	0	0	0	111	L699 L704 L707 L720 N725 F743 A744 I745 N748	L699-L722 HydrophobicContact CB-CD2 4.09Å; L699-L722 HydrophobicContact CD1-CD2 4.15Å; L704-L722 HydrophobicContact CD1-CD2 4Å; L707-L722 HydrophobicContact CD1-CD1 3.65Å; L707-L722 HydrophobicContact CD2-CD1 3.79Å; L707-L722 HydrophobicContact CD2-CD2 3.91Å; L707-L722 HydrophobicContact CD2-CG 4.47Å; L707-L722 HydrophobicContact CG-CD1 4.39Å; L720-L722 HydrophobicContact CD1-CD1 4.24Å; L720-L722 HydrophobicContact CD1-CD2 4.14Å; L720-L722 HydrophobicContact CD1-CG 3.95Å; L720-L722 HydrophobicContact CD2-CD1 4.15Å; L720-L722 HydrophobicContact CG-CD1 4.1Å; L720-L722 HydrophobicContact CG-CG 4.15Å; L722-N725 PolarHBondContact O-ND2 2.96Å; L722-F743 HydrophobicContact CD1-CE2 4.05Å; L722-A744 PolarHBondContact N-O 3.44Å; L722-I745 HydrophobicContact CB-CB 4.38Å; L722-I745 HydrophobicContact CB-CD1 4.43Å; L722-I745 HydrophobicContact CB-CG1 4.09Å; L722-I745 HydrophobicContact CD1-CD1 4.28Å; L722-N748 PolarHBondContact O-ND2 3.33Å
723	S	96.9	Very high	95.5	Very high	14 Å²	14	41.7 Å²	41.7	10%	0.098	22%	0.222	C	C	.	.			trans	-64.9	151.9	-171.8	-49.1	0	0	0	0	112.7	S700 H701 D721 N725 A744 T746	S700-S723 CarbonylContact C-O 3.52Å; S700-S723 WeakPolarHBondContact CA-O 3.41Å; S700-S723 VanDerWaalsContact CB-O 3.24Å; S700-S723 WeakPolarHBondContact CB-O 3.21Å; H701-S723 PolarHBondContact N-O 3.45Å; D721-S723 WeakPolarHBondContact OD1-CB 3.46Å; D721-S723 PolarHBondContact OD1-N 2.86Å; D721-S723 PolarHBondContact OD1-OG 3.48Å; S723-N725 PolarHBondContact O-ND2 3.3Å; S723-A744 WeakPolarHBondContact OG-CB 3.37Å; S723-T746 CarbonylContact C-O 3.37Å; S723-T746 WeakPolarHBondContact CA-O 3.45Å; S723-T746 VanDerWaalsContact CB-O 3.27Å; S723-T746 WeakPolarHBondContact CB-O 3.14Å
724	H	96.7	Very high	95.6	Very high	88 Å²	88	38.6 Å²	38.6	41%	0.407	20%	0.203	S	C	.	.	S	Bend	trans	53	61	-177.7	-59.1	-70.7	0	0	0	112.9	H701 N702 T746 G747	H701-H724 VanDerWaalsContact CA-O 3.26Å; H701-H724 WeakPolarHBondContact CA-O 3.46Å; H701-H724 AromaticContact CE1-CD2 3.26Å; H701-H724 PolarHBondContact CE1-CD2 2.94Å; H701-H724 AromaticContact CE1-CG 3.42Å; H701-H724 VanDerWaalsContact CE1-CG 3.42Å; H701-H724 PolarHBondContact N-O 3.23Å; H701-H724 AromaticContact ND1-CG 3.82Å; H701-H724 AromaticContact NE2-CD2 3.25Å; H701-H724 PolarHBondContact NE2-CD2 3.44Å; H701-H724 AromaticContact NE2-CG 3.81Å; N702-H724 PolarHBondContact N-O 2.94Å; H724-T746 PolarHBondContact N-O 2.72Å; H724-G747 VanDerWaalsContact CA-O 3.25Å; H724-G747 WeakPolarHBondContact CA-O 3.34Å; H724-G747 PolarHBondContact N-O 2.77Å
725	N	97.2	Very high	95.5	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.07	20%	0.204	C	C	.	.	S	Bend	trans	-128.2	-152.1	174.3	-85.5	-79.9	0	0	0	109.3	L699 N702 K703 L704 L722 S723 V727 G747 N748	L699-N725 PolarHBondContact O-ND2 3.21Å; N702-N725 WeakPolarHBondContact CA-OD1 3.46Å; N702-N725 WeakPolarHBondContact CB-OD1 3.4Å; N702-N725 PolarHBondContact O-OD1 3.04Å; K703-N725 PolarHBondContact N-OD1 3.4Å; L704-N725 HydrophobicContact CB-CB 4.14Å; L704-N725 WeakPolarHBondContact CB-OD1 3.37Å; L704-N725 WeakPolarHBondContact CG-OD1 3.36Å; L704-N725 PolarHBondContact N-OD1 2.94Å; L722-N725 PolarHBondContact O-ND2 2.96Å; S723-N725 PolarHBondContact O-ND2 3.3Å; N725-V727 HydrophobicContact CB-CG2 4.34Å; N725-G747 PolarHBondContact N-O 3.42Å; N725-N748 WeakPolarHBondContact CA-OD1 3.41Å; N725-N748 WeakPolarHBondContact CB-OD1 3.45Å
726	S	96.3	Very high	95.6	Very high	40 Å²	40	39 Å²	39	28%	0.28	20%	0.202	S	C	.	.			trans	-135.2	29.5	174.9	-82.1	0	0	0	0	112.5	L704 A728 N748 K749	L704-S726 CarbonylContact O-C 3.59Å; L704-S726 WeakPolarHBondContact O-CA 3.45Å; L704-S726 PolarHBondContact O-N 3.4Å; S726-A728 PolarHBondContact O-N 2.91Å; S726-N748 PolarHBondContact N-OD1 2.93Å; S726-K749 WeakPolarHBondContact OG-CE 3.47Å; S726-K749 PolarHBondContact OG-NZ 3.39Å
727	V	96.6	Very high	95.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.			trans	-67.1	122.5	-178.6	179.7	0	0	0	0	110.1	L704 L707 N725 V729 I745 N748 K749 V750	L704-V727 HydrophobicContact CB-CG2 4.16Å; L704-V727 WeakPolarHBondContact O-CG2 3.49Å; L704-V727 PolarHBondContact O-N 3.49Å; L704-V727 VanDerWaalsContact O-N 3.12Å; L707-V727 HydrophobicContact CD1-CG1 3.93Å; L707-V727 HydrophobicContact CD2-CG2 4Å; L707-V727 HydrophobicContact CG-CG1 3.86Å; L707-V727 HydrophobicContact CG-CG2 4.11Å; N725-V727 HydrophobicContact CB-CG2 4.34Å; V727-V729 WeakPolarHBondContact CG1-O 3.33Å; V727-I745 HydrophobicContact CB-CD1 4.28Å; V727-I745 HydrophobicContact CG1-CD1 4.12Å; V727-N748 WeakPolarHBondContact CB-OD1 3.42Å; V727-N748 PolarHBondContact N-OD1 3.13Å; V727-K749 CarbonylContact O-C 3.51Å; V727-K749 WeakPolarHBondContact O-CA 3.45Å; V727-K749 PolarHBondContact O-N 3.02Å; V727-V750 PolarHBondContact O-N 3.46Å
728	A	94.1	Very high	95.4	Very high	47 Å²	47	40.7 Å²	40.7	39%	0.388	21%	0.211	S	C	.	.			trans	-91	-27	178.1	0	0	0	0	0	114	S726 K749 V750	S726-A728 PolarHBondContact O-N 2.91Å; A728-K749 WeakPolarHBondContact CA-O 3.21Å; A728-V750 WeakPolarHBondContact O-CA 3.48Å
729	V	94.2	Very high	95.3	Very high	99 Å²	99	38.2 Å²	38.2	60%	0.6	21%	0.206	S	C	*	.			trans	-138.6	132.8	-174.2	-178.2	0	0	0	0	110.6	V727 P731	V727-V729 WeakPolarHBondContact CG1-O 3.33Å; V729-P731 WeakPolarHBondContact O-CD 3.45Å
730	I	95	Very high	95.2	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	20%	0.196	C	C	.	.			trans	-89.6	117	166.9	-56.8	166.6	0	0	0	107.7	V734 F743 I745 V750 P754 L768	I730-V734 HydrophobicContact CG2-CB 4.11Å; I730-V734 HydrophobicContact CG2-CG1 3.89Å; I730-V734 HydrophobicContact CG2-CG2 4.4Å; I730-F743 HydrophobicContact CD1-CE1 4.09Å; I730-F743 HydrophobicContact CD1-CZ 4.33Å; I730-F743 HydrophobicContact CG2-CZ 4.36Å; I730-I745 HydrophobicContact CD1-CD1 4.33Å; I730-I745 HydrophobicContact CD1-CG2 4.35Å; I730-I745 HydrophobicContact CG1-CD1 3.9Å; I730-V750 HydrophobicContact CD1-CG1 3.91Å; I730-V750 HydrophobicContact CD1-CG2 4.3Å; I730-V750 HydrophobicContact CG1-CG1 4.07Å; I730-V750 HydrophobicContact CG1-CG2 4.05Å; I730-P754 HydrophobicContact CB-CG 4.03Å; I730-P754 HydrophobicContact CG2-CG 3.87Å; I730-P754 WeakPolarHBondContact O-CG 3.32Å; I730-L768 HydrophobicContact CD1-CD2 4.45Å
731	P	94.2	Very high	95.2	Very high	18 Å²	18	38.9 Å²	38.9	12%	0.117	21%	0.211	C	C	.	.			trans	-64.4	145.6	-179	-24.9	36.4	0	0	0	113	L707 F712 V729 E733 V734	L707-P731 HydrophobicContact CB-CG 4.06Å; L707-P731 WeakPolarHBondContact O-CG 3.5Å; F712-P731 HydrophobicContact CD2-CB 4.43Å; F712-P731 HydrophobicContact CE2-CB 3.95Å; F712-P731 HydrophobicContact CE2-CG 3.77Å; F712-P731 HydrophobicContact CZ-CG 4.38Å; V729-P731 WeakPolarHBondContact O-CD 3.45Å; P731-E733 WeakPolarHBondContact CB-OE2 3.44Å; P731-E733 PolarHBondContact O-N 3.45Å; P731-E733 VanDerWaalsContact O-N 3.12Å; P731-V734 WeakPolarHBondContact O-CB 3.36Å; P731-V734 WeakPolarHBondContact O-CG1 3.46Å; P731-V734 PolarHBondContact O-N 2.97Å; P731-V734 VanDerWaalsContact O-N 3.11Å
732	P	93.1	Very high	95.2	Very high	59 Å²	59	39.2 Å²	39.2	38%	0.383	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-63.5	-18.3	-177.7	27.5	-35.9	0	0	0	113.7	V734 G735 Q756	P732-V734 PolarHBondContact O-N 2.95Å; P732-G735 PolarHBondContact O-N 3.43Å; P732-Q756 HydrophobicContact CB-CB 4.46Å; P732-Q756 HydrophobicContact CB-CG 3.97Å; P732-Q756 WeakPolarHBondContact O-CB 3.11Å; P732-Q756 WeakPolarHBondContact O-CG 3.32Å
733	E	95.1	Very high	95.2	Very high	57 Å²	57	39.2 Å²	39.2	27%	0.266	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-62.6	-16.2	174	-64	75.7	-164.6	0	0	113	F712 P731 G735 F736	F712-E733 HydrophobicContact CB-CB 3.86Å; F712-E733 WeakPolarHBondContact CB-O 3.44Å; F712-E733 HydrophobicContact CD2-CB 4.03Å; F712-E733 HydrophobicContact CG-CB 4.2Å; P731-E733 WeakPolarHBondContact CB-OE2 3.44Å; P731-E733 PolarHBondContact O-N 3.45Å; P731-E733 VanDerWaalsContact O-N 3.12Å; E733-G735 PolarHBondContact O-N 2.9Å; E733-F736 HydrophobicContact CB-CD2 3.76Å; E733-F736 HydrophobicContact CB-CE2 3.72Å; E733-F736 HydrophobicContact CG-CD2 4.17Å; E733-F736 HydrophobicContact CG-CE2 3.6Å; E733-F736 HydrophobicContact CG-CZ 4.37Å; E733-F736 VanDerWaalsContact O-CB 3.27Å; E733-F736 WeakPolarHBondContact O-CB 3.36Å; E733-F736 WeakPolarHBondContact O-CD2 3.46Å; E733-F736 VanDerWaalsContact O-CG 3.28Å; E733-F736 WeakPolarHBondContact O-CG 3.19Å; E733-F736 PolarHBondContact O-N 2.88Å
734	V	94.3	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-52.4	-31.1	174.5	70.5	0	0	0	0	112.9	F712 I730 P731 P732 F736 L737 P754 L757 C760	F712-V734 VanDerWaalsContact CD1-CA 3.46Å; F712-V734 HydrophobicContact CD1-CB 3.81Å; F712-V734 HydrophobicContact CD1-CG2 3.92Å; F712-V734 HydrophobicContact CE1-CB 3.79Å; F712-V734 HydrophobicContact CE1-CG2 3.77Å; F712-V734 HydrophobicContact CG-CB 4.47Å; F712-V734 HydrophobicContact CZ-CB 4.47Å; I730-V734 HydrophobicContact CG2-CB 4.11Å; I730-V734 HydrophobicContact CG2-CG1 3.89Å; I730-V734 HydrophobicContact CG2-CG2 4.4Å; P731-V734 WeakPolarHBondContact O-CB 3.36Å; P731-V734 WeakPolarHBondContact O-CG1 3.46Å; P731-V734 PolarHBondContact O-N 2.97Å; P731-V734 VanDerWaalsContact O-N 3.11Å; P732-V734 PolarHBondContact O-N 2.95Å; V734-F736 PolarHBondContact O-N 3.18Å; V734-F736 VanDerWaalsContact O-N 3.07Å; V734-L737 PolarHBondContact O-N 2.96Å; V734-P754 HydrophobicContact CG1-CG 3.93Å; V734-L757 HydrophobicContact CG1-CB 4.01Å; V734-L757 HydrophobicContact CG1-CD1 4.05Å; V734-L757 HydrophobicContact CG2-CD1 3.69Å; V734-C760 PolarHBondContact O-SG 2.88Å
735	G	91.4	Very high	95.2	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.031	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-67.9	0.7	174.2	0	0	0	0	0	115.9	P732 E733 Q756	P732-G735 PolarHBondContact O-N 3.43Å; E733-G735 PolarHBondContact O-N 2.9Å; G735-Q756 WeakPolarHBondContact CA-O 3.41Å
736	F	94.4	Very high	95.2	Very high	110 Å²	110	34.7 Å²	34.7	48%	0.482	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-84.9	-20	168.3	-57.9	-29.8	0	0	0	112.7	L715 E733 V734 Q738	L715-F736 HydrophobicContact CD2-CB 4.37Å; L715-F736 WeakPolarHBondContact CD2-O 3.28Å; E733-F736 HydrophobicContact CB-CD2 3.76Å; E733-F736 HydrophobicContact CB-CE2 3.72Å; E733-F736 HydrophobicContact CG-CD2 4.17Å; E733-F736 HydrophobicContact CG-CE2 3.6Å; E733-F736 HydrophobicContact CG-CZ 4.37Å; E733-F736 VanDerWaalsContact O-CB 3.27Å; E733-F736 WeakPolarHBondContact O-CB 3.36Å; E733-F736 WeakPolarHBondContact O-CD2 3.46Å; E733-F736 VanDerWaalsContact O-CG 3.28Å; E733-F736 WeakPolarHBondContact O-CG 3.19Å; E733-F736 PolarHBondContact O-N 2.88Å; V734-F736 PolarHBondContact O-N 3.18Å; V734-F736 VanDerWaalsContact O-N 3.07Å; F736-Q738 PolarHBondContact O-N 3.06Å
737	L	94.8	Very high	95.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.			trans	-77.8	64.4	179.3	-61.7	-175.2	0	0	0	111.8	F712 L714 L717 L720 V734 N739 L740 C760	F712-L737 HydrophobicContact CB-CG 4.35Å; F712-L737 HydrophobicContact CD1-CD1 3.74Å; F712-L737 HydrophobicContact CD1-CG 4.2Å; F712-L737 HydrophobicContact CE1-CD1 4.47Å; F712-L737 WeakPolarHBondContact O-CD2 3.43Å; L714-L737 VanDerWaalsContact O-CD2 3.24Å; L714-L737 WeakPolarHBondContact O-CD2 3.27Å; L717-L737 HydrophobicContact CB-CD2 4.27Å; L717-L737 HydrophobicContact CD2-CD1 4.03Å; L720-L737 HydrophobicContact CD2-CD1 4.39Å; V734-L737 PolarHBondContact O-N 2.96Å; L737-N739 PolarHBondContact O-N 3.3Å; L737-L740 HydrophobicContact CB-CB 4.04Å; L737-L740 HydrophobicContact CB-CD2 4.31Å; L737-L740 HydrophobicContact CD1-CD1 4.4Å; L737-L740 HydrophobicContact CD1-CD2 4.2Å; L737-L740 VanDerWaalsContact O-CB 3.24Å; L737-L740 WeakPolarHBondContact O-CB 3.29Å; L737-L740 PolarHBondContact O-N 3.3Å; L737-C760 PolarHBondContact O-SG 3.48Å
738	Q	91.9	Very high	95.1	Very high	128 Å²	128	34.1 Å²	34.1	60%	0.598	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-12	-177.1	-64.5	-175.5	-0.5	0	0	114.6	F736	F736-Q738 PolarHBondContact O-N 3.06Å
739	N	95.2	Very high	95.2	Very high	56 Å²	56	37.3 Å²	37.3	30%	0.299	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-0.3	175.7	-70.7	-51.8	0	0	0	114.2	L715 L717 R718 L737 Q741 K762	L715-N739 PolarHBondContact O-ND2 3.32Å; L717-N739 CarbonylContact O-C 3.6Å; R718-N739 WeakPolarHBondContact CA-O 3.09Å; L737-N739 PolarHBondContact O-N 3.3Å; N739-Q741 PolarHBondContact O-N 3.48Å; N739-K762 PolarHBondContact OD1-NZ 3.16Å
740	L	96.6	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.			trans	-65.3	127.8	-178.4	-160.7	63.5	0	0	0	111	L717 L720 L737 F743 C760 K762 L763	L717-L740 WeakPolarHBondContact O-CA 3.32Å; L717-L740 PolarHBondContact O-N 2.73Å; L720-L740 HydrophobicContact CB-CD1 3.96Å; L737-L740 HydrophobicContact CB-CB 4.04Å; L737-L740 HydrophobicContact CB-CD2 4.31Å; L737-L740 HydrophobicContact CD1-CD1 4.4Å; L737-L740 HydrophobicContact CD1-CD2 4.2Å; L737-L740 VanDerWaalsContact O-CB 3.24Å; L737-L740 WeakPolarHBondContact O-CB 3.29Å; L737-L740 PolarHBondContact O-N 3.3Å; L740-F743 HydrophobicContact CD2-CB 3.87Å; L740-F743 HydrophobicContact CD2-CD2 4.16Å; L740-F743 HydrophobicContact CD2-CG 4.14Å; L740-F743 HydrophobicContact CG-CB 4.37Å; L740-C760 HydrophobicContact CB-CB 4.45Å; L740-K762 CarbonylContact O-C 3.48Å; L740-K762 VanDerWaalsContact O-C 3.23Å; L740-L763 HydrophobicContact CB-CD1 4.32Å; L740-L763 HydrophobicContact CD2-CD1 4.2Å; L740-L763 HydrophobicContact CG-CD1 3.9Å; L740-L763 WeakPolarHBondContact O-CA 3.29Å; L740-L763 PolarHBondContact O-N 3.38Å
741	Q	96.8	Very high	95.3	Very high	68 Å²	68	38.4 Å²	38.4	32%	0.318	19%	0.192	S	C	.	.			trans	-116.1	-34	-179.4	-60	-175.6	16	0	0	111.6	R718 N739 R764 T765	R718-Q741 HydrophobicContact CB-CG 4.43Å; R718-Q741 WeakPolarHBondContact O-CA 3.44Å; R718-Q741 PolarHBondContact O-N 3.06Å; N739-Q741 PolarHBondContact O-N 3.48Å; Q741-R764 WeakPolarHBondContact O-CA 3.35Å; Q741-R764 PolarHBondContact O-N 3.04Å; Q741-T765 PolarHBondContact O-N 3.48Å
742	H	97.5	Very high	95.2	Very high	20 Å²	20	42 Å²	42	9%	0.093	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.1	175.7	-175.2	103.6	0	0	0	109.5	R718 Y719 L720 T765	R718-H742 PolarHBondContact O-N 3.44Å; Y719-H742 HydrophobicContact CD2-CB 3.45Å; Y719-H742 VanDerWaalsContact CD2-CB 3.45Å; Y719-H742 AromaticContact CD2-CD2 3.83Å; Y719-H742 AromaticContact CD2-CG 3.61Å; Y719-H742 AromaticContact CE1-CD2 3.69Å; Y719-H742 HydrophobicContact CE2-CB 3.71Å; Y719-H742 AromaticContact CE2-CD2 3.33Å; Y719-H742 WeakPolarHBondContact CE2-CD2 3.24Å; Y719-H742 AromaticContact CE2-CE1 3.94Å; Y719-H742 AromaticContact CE2-CG 3.29Å; Y719-H742 AromaticContact CE2-ND1 3.66Å; Y719-H742 AromaticContact CE2-NE2 3.76Å; Y719-H742 HydrophobicContact CG-CB 4.05Å; Y719-H742 AromaticContact CZ-CD2 3.25Å; Y719-H742 AromaticContact CZ-CE1 3.98Å; Y719-H742 AromaticContact CZ-CG 3.75Å; Y719-H742 AromaticContact CZ-NE2 3.44Å; Y719-H742 PolarHBondContact OH-NE2 3.41Å; L720-H742 PolarHBondContact N-O 3.43Å; H742-T765 VanDerWaalsContact CE1-CG2 3.45Å; H742-T765 WeakPolarHBondContact CE1-CG2 3Å; H742-T765 VanDerWaalsContact ND1-CB 3.25Å; H742-T765 WeakPolarHBondContact ND1-CB 3.23Å; H742-T765 VanDerWaalsContact ND1-CG2 3.35Å; H742-T765 WeakPolarHBondContact ND1-CG2 3.39Å
743	F	97.6	Very high	95.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	115.1	173.5	-176.7	-122.5	0	0	0	109.5	L720 L722 I730 L740 I745 L757 L763 T765 L766 C767	L720-F743 HydrophobicContact CB-CD2 4.15Å; L720-F743 HydrophobicContact CD2-CD2 3.98Å; L720-F743 HydrophobicContact CD2-CE2 3.8Å; L720-F743 HydrophobicContact CG-CD2 4.06Å; L720-F743 HydrophobicContact CG-CE2 4.14Å; L720-F743 WeakPolarHBondContact O-CA 2.83Å; L722-F743 HydrophobicContact CD1-CE2 4.05Å; I730-F743 HydrophobicContact CD1-CE1 4.09Å; I730-F743 HydrophobicContact CD1-CZ 4.33Å; I730-F743 HydrophobicContact CG2-CZ 4.36Å; L740-F743 HydrophobicContact CD2-CB 3.87Å; L740-F743 HydrophobicContact CD2-CD2 4.16Å; L740-F743 HydrophobicContact CD2-CG 4.14Å; L740-F743 HydrophobicContact CG-CB 4.37Å; F743-I745 HydrophobicContact CE1-CG2 4.09Å; F743-I745 HydrophobicContact CZ-CB 4.35Å; F743-I745 HydrophobicContact CZ-CD1 4.34Å; F743-I745 HydrophobicContact CZ-CG2 4.28Å; F743-L757 HydrophobicContact CD1-CD1 4.01Å; F743-L757 HydrophobicContact CD1-CD2 4.31Å; F743-L757 HydrophobicContact CE1-CD1 4.21Å; F743-L757 HydrophobicContact CE1-CD2 4.33Å; F743-L763 HydrophobicContact CB-CD1 3.86Å; F743-T765 PolarHBondContact N-O 2.9Å; F743-L766 HydrophobicContact CB-CD1 4.47Å; F743-L766 HydrophobicContact CD1-CD1 3.76Å; F743-L766 WeakPolarHBondContact O-CA 3.47Å; F743-C767 PolarHBondContact O-N 2.86Å
744	A	97.3	Very high	95.3	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.4	177.3	0	0	0	0	0	110.8	L720 D721 L722 S723 C767	L720-A744 PolarHBondContact O-N 3.28Å; D721-A744 HydrophobicContact CB-CB 4.32Å; L722-A744 PolarHBondContact N-O 3.44Å; S723-A744 WeakPolarHBondContact OG-CB 3.37Å; A744-C767 HydrophobicContact CB-CB 3.84Å
745	I	96.3	Very high	95.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.			trans	-144.6	26	175.7	-165	164.6	0	0	0	110.1	L707 L722 V727 I730 F743 N748 V750 C767 L768 N771	L707-I745 HydrophobicContact CD1-CD1 4.33Å; L722-I745 HydrophobicContact CB-CB 4.38Å; L722-I745 HydrophobicContact CB-CD1 4.43Å; L722-I745 HydrophobicContact CB-CG1 4.09Å; L722-I745 HydrophobicContact CD1-CD1 4.28Å; V727-I745 HydrophobicContact CB-CD1 4.28Å; V727-I745 HydrophobicContact CG1-CD1 4.12Å; I730-I745 HydrophobicContact CD1-CD1 4.33Å; I730-I745 HydrophobicContact CD1-CG2 4.35Å; I730-I745 HydrophobicContact CG1-CD1 3.9Å; F743-I745 HydrophobicContact CE1-CG2 4.09Å; F743-I745 HydrophobicContact CZ-CB 4.35Å; F743-I745 HydrophobicContact CZ-CD1 4.34Å; F743-I745 HydrophobicContact CZ-CG2 4.28Å; I745-N748 HydrophobicContact CG1-CB 4.07Å; I745-N748 WeakPolarHBondContact CG1-ND2 3.4Å; I745-N748 WeakPolarHBondContact O-CB 3.47Å; I745-N748 PolarHBondContact O-ND2 3.35Å; I745-V750 HydrophobicContact CD1-CG2 4.04Å; I745-V750 HydrophobicContact CG1-CG2 4.47Å; I745-C767 PolarHBondContact N-O 2.81Å; I745-L768 HydrophobicContact CG2-CD2 3.67Å; I745-N771 PolarHBondContact O-ND2 3.12Å
746	T	96.1	Very high	95.4	Very high	14 Å²	14	47.1 Å²	47.1	9%	0.086	23%	0.231	C	C	.	.			trans	-60.3	139.4	-179.3	-66.7	0	0	0	0	111	S723 H724 C767 G769 E790	S723-T746 CarbonylContact C-O 3.37Å; S723-T746 WeakPolarHBondContact CA-O 3.45Å; S723-T746 VanDerWaalsContact CB-O 3.27Å; S723-T746 WeakPolarHBondContact CB-O 3.14Å; H724-T746 PolarHBondContact N-O 2.72Å; T746-C767 VanDerWaalsContact OG1-C 3.29Å; T746-C767 WeakPolarHBondContact OG1-CB 3.28Å; T746-C767 PolarHBondContact OG1-O 2.84Å; T746-G769 CarbonylContact C-O 3.19Å; T746-G769 WeakPolarHBondContact CA-O 3.45Å; T746-G769 WeakPolarHBondContact CG2-O 3.01Å; T746-G769 PolarHBondContact OG1-N 3.01Å; T746-G769 VanDerWaalsContact OG1-N 3.16Å; T746-E790 WeakPolarHBondContact CG2-OE2 3.45Å; T746-E790 PolarHBondContact OG1-OE2 3.27Å
747	G	95.4	Very high	95.4	Very high	17 Å²	17	41.9 Å²	41.9	18%	0.175	21%	0.208	C	C	.	.	S	Bend	trans	72.6	51.8	-177.4	0	0	0	0	0	113.3	H724 N725 G769 H770	H724-G747 VanDerWaalsContact CA-O 3.25Å; H724-G747 WeakPolarHBondContact CA-O 3.34Å; H724-G747 PolarHBondContact N-O 2.77Å; N725-G747 PolarHBondContact N-O 3.42Å; G747-G769 PolarHBondContact N-O 3.27Å; G747-H770 CarbonylContact C-O 3.57Å; G747-H770 WeakPolarHBondContact CA-O 3.45Å; G747-H770 PolarHBondContact N-O 3.46Å; G747-H770 VanDerWaalsContact N-O 3.16Å
748	N	97.1	Very high	95.3	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.064	21%	0.209	C	C	.	.	S	Bend	trans	-130.9	-162.3	176.6	-85.5	-84.2	0	0	0	110.2	L722 N725 S726 V727 I745 V750 H770 N771	L722-N748 PolarHBondContact O-ND2 3.33Å; N725-N748 WeakPolarHBondContact CA-OD1 3.41Å; N725-N748 WeakPolarHBondContact CB-OD1 3.45Å; S726-N748 PolarHBondContact N-OD1 2.93Å; V727-N748 WeakPolarHBondContact CB-OD1 3.42Å; V727-N748 PolarHBondContact N-OD1 3.13Å; I745-N748 HydrophobicContact CG1-CB 4.07Å; I745-N748 WeakPolarHBondContact CG1-ND2 3.4Å; I745-N748 WeakPolarHBondContact O-CB 3.47Å; I745-N748 PolarHBondContact O-ND2 3.35Å; N748-V750 HydrophobicContact CB-CG2 4.36Å; N748-H770 PolarHBondContact N-O 3.3Å; N748-H770 VanDerWaalsContact N-O 3.12Å; N748-N771 WeakPolarHBondContact CA-OD1 3.42Å; N748-N771 WeakPolarHBondContact CB-OD1 3.29Å; N748-N771 PolarHBondContact O-OD1 2.86Å
749	K	95.8	Very high	95.4	Very high	113 Å²	113	41.9 Å²	41.9	49%	0.491	21%	0.206	S	C	.	.			trans	-120.1	27.6	-177	-59.3	177.1	-175	168.6	0	112	S726 V727 A728 E751 N771	S726-K749 WeakPolarHBondContact OG-CE 3.47Å; S726-K749 PolarHBondContact OG-NZ 3.39Å; V727-K749 CarbonylContact O-C 3.51Å; V727-K749 WeakPolarHBondContact O-CA 3.45Å; V727-K749 PolarHBondContact O-N 3.02Å; A728-K749 WeakPolarHBondContact CA-O 3.21Å; K749-E751 PolarHBondContact O-N 3.4Å; K749-N771 PolarHBondContact N-OD1 2.94Å
750	V	96.3	Very high	95.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.			trans	-72.9	120.4	-173.9	-179	0	0	0	0	110.4	V727 A728 I730 I745 N748 N771 C772 I773	V727-V750 PolarHBondContact O-N 3.46Å; A728-V750 WeakPolarHBondContact O-CA 3.48Å; I730-V750 HydrophobicContact CD1-CG1 3.91Å; I730-V750 HydrophobicContact CD1-CG2 4.3Å; I730-V750 HydrophobicContact CG1-CG1 4.07Å; I730-V750 HydrophobicContact CG1-CG2 4.05Å; I745-V750 HydrophobicContact CD1-CG2 4.04Å; I745-V750 HydrophobicContact CG1-CG2 4.47Å; N748-V750 HydrophobicContact CB-CG2 4.36Å; V750-N771 WeakPolarHBondContact CB-OD1 3.41Å; V750-N771 WeakPolarHBondContact CG2-OD1 3.32Å; V750-N771 PolarHBondContact N-OD1 2.84Å; V750-C772 CarbonylContact O-C 3.13Å; V750-C772 WeakPolarHBondContact O-CA 3.4Å; V750-C772 PolarHBondContact O-N 2.94Å; V750-I773 HydrophobicContact CB-CG1 4.49Å; V750-I773 HydrophobicContact CG1-CG1 4.34Å; V750-I773 VanDerWaalsContact O-CG1 3.28Å; V750-I773 WeakPolarHBondContact O-CG1 3.45Å; V750-I773 PolarHBondContact O-N 3.46Å; V750-I773 VanDerWaalsContact O-N 3.13Å
751	E	94.1	Very high	95.1	Very high	127 Å²	127	42.8 Å²	42.8	59%	0.593	21%	0.213	S	C	*	.			trans	-90.3	-31.5	177.4	-64.3	178.9	176.8	0	0	113.4	K749 C772 I773 T774	K749-E751 PolarHBondContact O-N 3.4Å; E751-C772 HydrophobicContact CG-CB 4.04Å; E751-I773 WeakPolarHBondContact O-CA 3.42Å; E751-T774 PolarHBondContact O-N 2.04Å
752	V	93.5	Very high	95	Very high	94 Å²	94	44 Å²	44	57%	0.57	22%	0.218	S	C	*	.			trans	-139.1	125.5	-172.6	-178.3	0	0	0	0	110.9
753	V	94.8	Very high	94.9	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	21%	0.214	C	C	.	.			trans	-85.3	122	172.5	-177	0	0	0	0	109.6	K755 L757 F758 L768 I773 I776	V753-K755 PolarHBondContact O-N 3.38Å; V753-L757 HydrophobicContact CG1-CB 4.38Å; V753-L757 HydrophobicContact CG1-CD2 3.59Å; V753-F758 HydrophobicContact CG1-CE2 4.05Å; V753-F758 HydrophobicContact CG1-CZ 3.69Å; V753-L768 HydrophobicContact CG2-CD1 4.19Å; V753-L768 HydrophobicContact CG2-CD2 4.31Å; V753-I773 HydrophobicContact CG2-CD1 3.67Å; V753-I773 HydrophobicContact CG2-CG1 4.12Å; V753-I773 HydrophobicContact CG2-CG2 3.99Å; V753-I776 HydrophobicContact CG2-CD1 4.1Å
754	P	94.6	Very high	94.8	Very high	16 Å²	16	48.7 Å²	48.7	10%	0.104	24%	0.235	C	C	.	.			trans	-66.3	136.8	-176.5	26.8	-35.6	0	0	0	111.5	I730 V734 Q756 L757	I730-P754 HydrophobicContact CB-CG 4.03Å; I730-P754 HydrophobicContact CG2-CG 3.87Å; I730-P754 WeakPolarHBondContact O-CG 3.32Å; V734-P754 HydrophobicContact CG1-CG 3.93Å; P754-Q756 PolarHBondContact O-N 2.88Å; P754-L757 HydrophobicContact CG-CB 4.45Å; P754-L757 WeakPolarHBondContact O-CB 3.42Å; P754-L757 PolarHBondContact O-N 3.3Å
755	K	92.8	Very high	94.7	Very high	137 Å²	137	49.6 Å²	49.6	60%	0.596	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-9.3	177.8	-61.2	-174.7	-179.2	-178.9	0	113.5	V753 P777	V753-K755 PolarHBondContact O-N 3.38Å; K755-P777 HydrophobicContact CG-CB 4.07Å; K755-P777 HydrophobicContact CG-CG 4.04Å
756	Q	94.4	Very high	94.8	Very high	71 Å²	71	49.7 Å²	49.7	33%	0.332	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-26.8	176.5	-68.5	81.8	-20.5	0	0	113.4	P732 G735 P754 F758 K759	P732-Q756 HydrophobicContact CB-CB 4.46Å; P732-Q756 HydrophobicContact CB-CG 3.97Å; P732-Q756 WeakPolarHBondContact O-CB 3.11Å; P732-Q756 WeakPolarHBondContact O-CG 3.32Å; G735-Q756 WeakPolarHBondContact CA-O 3.41Å; P754-Q756 PolarHBondContact O-N 2.88Å; Q756-F758 PolarHBondContact O-N 2.99Å; Q756-K759 VanDerWaalsContact O-CB 3.28Å; Q756-K759 WeakPolarHBondContact O-CB 3.42Å; Q756-K759 WeakPolarHBondContact O-CG 3.29Å; Q756-K759 PolarHBondContact O-N 2.88Å
757	L	94.2	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-55.9	-38.3	178	179	63.8	0	0	0	111.5	V734 F743 V753 P754 K759 C760 L766	V734-L757 HydrophobicContact CG1-CB 4.01Å; V734-L757 HydrophobicContact CG1-CD1 4.05Å; V734-L757 HydrophobicContact CG2-CD1 3.69Å; F743-L757 HydrophobicContact CD1-CD1 4.01Å; F743-L757 HydrophobicContact CD1-CD2 4.31Å; F743-L757 HydrophobicContact CE1-CD1 4.21Å; F743-L757 HydrophobicContact CE1-CD2 4.33Å; V753-L757 HydrophobicContact CG1-CB 4.38Å; V753-L757 HydrophobicContact CG1-CD2 3.59Å; P754-L757 HydrophobicContact CG-CB 4.45Å; P754-L757 WeakPolarHBondContact O-CB 3.42Å; P754-L757 PolarHBondContact O-N 3.3Å; L757-K759 PolarHBondContact O-N 3.25Å; L757-C760 WeakPolarHBondContact O-CB 3.48Å; L757-C760 PolarHBondContact O-N 3.37Å; L757-C760 PolarHBondContact O-SG 3.38Å; L757-L766 HydrophobicContact CD2-CD1 4.08Å; L757-L766 HydrophobicContact CD2-CD2 4.43Å
758	F	93.4	Very high	94.8	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.022	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-72.6	12	178.5	-44.4	-71.2	0	0	0	114.6	V753 Q756 I776 P777 K779 I780 L783	V753-F758 HydrophobicContact CG1-CE2 4.05Å; V753-F758 HydrophobicContact CG1-CZ 3.69Å; Q756-F758 PolarHBondContact O-N 2.99Å; F758-I776 HydrophobicContact CZ-CG2 4.44Å; F758-P777 HydrophobicContact CD2-CB 4.4Å; F758-P777 HydrophobicContact CE2-CB 3.85Å; F758-P777 HydrophobicContact CE2-CG 3.82Å; F758-P777 HydrophobicContact CZ-CG 4.45Å; F758-K779 HydrophobicContact CB-CB 3.7Å; F758-K779 WeakPolarHBondContact CB-O 3.24Å; F758-K779 HydrophobicContact CD2-CB 3.87Å; F758-K779 HydrophobicContact CG-CB 3.91Å; F758-I780 HydrophobicContact CD1-CB 4.26Å; F758-I780 HydrophobicContact CD1-CD1 4.06Å; F758-I780 HydrophobicContact CE1-CB 4.08Å; F758-I780 HydrophobicContact CE1-CD1 3.63Å; F758-I780 HydrophobicContact CE1-CG1 4.46Å; F758-L783 HydrophobicContact CD1-CD1 4Å; F758-L783 HydrophobicContact CD1-CG 4.29Å
759	K	92.8	Very high	94.7	Very high	122 Å²	122	48.2 Å²	48.2	53%	0.53	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-84.4	-16.8	161.9	-65.5	-178.2	176	-175	0	112.5	Q756 L757 V761	Q756-K759 VanDerWaalsContact O-CB 3.28Å; Q756-K759 WeakPolarHBondContact O-CB 3.42Å; Q756-K759 WeakPolarHBondContact O-CG 3.29Å; Q756-K759 PolarHBondContact O-N 2.88Å; L757-K759 PolarHBondContact O-N 3.25Å; K759-V761 PolarHBondContact O-N 3.26Å
760	C	94.3	Very high	94.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.23	C	C	.	.			trans	-76.8	64	179.1	-62.2	0	0	0	0	111.2	V734 L737 L740 L757 K762 L763 L783	V734-C760 PolarHBondContact O-SG 2.88Å; L737-C760 PolarHBondContact O-SG 3.48Å; L740-C760 HydrophobicContact CB-CB 4.45Å; L757-C760 WeakPolarHBondContact O-CB 3.48Å; L757-C760 PolarHBondContact O-N 3.37Å; L757-C760 PolarHBondContact O-SG 3.38Å; C760-K762 PolarHBondContact O-N 3.44Å; C760-L763 HydrophobicContact CB-CB 4.49Å; C760-L763 VanDerWaalsContact O-CB 3.24Å; C760-L763 WeakPolarHBondContact O-CB 3.41Å; C760-L763 PolarHBondContact O-N 2.87Å; C760-L783 WeakPolarHBondContact O-CD2 3.39Å
761	V	91.7	Very high	94.7	Very high	75 Å²	75	48.7 Å²	48.7	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-10.7	-172.5	-63.4	0	0	0	0	115.8	K759 Q785	K759-V761 PolarHBondContact O-N 3.26Å; V761-Q785 WeakPolarHBondContact O-CG 3.29Å
762	K	94.8	Very high	94.7	Very high	95 Å²	95	45.2 Å²	45.2	41%	0.413	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	0.1	174.2	-59.1	-171.2	-167.9	173.9	0	113.8	N739 L740 C760 R764	N739-K762 PolarHBondContact OD1-NZ 3.16Å; L740-K762 CarbonylContact O-C 3.48Å; L740-K762 VanDerWaalsContact O-C 3.23Å; C760-K762 PolarHBondContact O-N 3.44Å; K762-R764 PolarHBondContact O-N 3.3Å
763	L	95.7	Very high	94.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.			trans	-66.8	124	-176.8	-160.2	75.8	0	0	0	110.9	L740 F743 C760 L766 L783 Q785 L786	L740-L763 HydrophobicContact CB-CD1 4.32Å; L740-L763 HydrophobicContact CD2-CD1 4.2Å; L740-L763 HydrophobicContact CG-CD1 3.9Å; L740-L763 WeakPolarHBondContact O-CA 3.29Å; L740-L763 PolarHBondContact O-N 3.38Å; F743-L763 HydrophobicContact CB-CD1 3.86Å; C760-L763 HydrophobicContact CB-CB 4.49Å; C760-L763 VanDerWaalsContact O-CB 3.24Å; C760-L763 WeakPolarHBondContact O-CB 3.41Å; C760-L763 PolarHBondContact O-N 2.87Å; L763-L766 HydrophobicContact CD2-CB 3.82Å; L763-L766 HydrophobicContact CD2-CD1 4.09Å; L763-L766 HydrophobicContact CD2-CD2 4.13Å; L763-L766 HydrophobicContact CD2-CG 4.23Å; L763-L783 HydrophobicContact CB-CD1 4.31Å; L763-L783 HydrophobicContact CB-CD2 4.35Å; L763-L783 HydrophobicContact CD2-CD1 3.91Å; L763-Q785 CarbonylContact O-C 3.56Å; L763-Q785 VanDerWaalsContact O-C 3.23Å; L763-L786 WeakPolarHBondContact O-CA 3.42Å; L763-L786 PolarHBondContact O-N 3.37Å
764	R	95.5	Very high	94.8	Very high	118 Å²	118	44 Å²	44	45%	0.445	22%	0.215	S	C	.	.			trans	-106.5	-36.4	179.9	-63.8	-175.7	166.7	-159.7	-10.3	112.2	Q741 K762 Q785 T787 H788	Q741-R764 WeakPolarHBondContact O-CA 3.35Å; Q741-R764 PolarHBondContact O-N 3.04Å; K762-R764 PolarHBondContact O-N 3.3Å; R764-Q785 WeakPolarHBondContact CA-O 3.07Å; R764-Q785 HydrophobicContact CG-CB 4.49Å; R764-Q785 WeakPolarHBondContact CG-O 3.06Å; R764-T787 PolarHBondContact O-N 3.49Å; R764-T787 PolarHBondContact O-OG1 2.87Å; R764-T787 VanDerWaalsContact O-OG1 3.05Å; R764-H788 PolarHBondContact O-N 3.14Å
765	T	96.3	Very high	94.7	Very high	24 Å²	24	46.6 Å²	46.6	15%	0.147	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125	179.3	-48.6	0	0	0	0	109.9	Q741 H742 F743 H788	Q741-T765 PolarHBondContact O-N 3.48Å; H742-T765 VanDerWaalsContact CE1-CG2 3.45Å; H742-T765 WeakPolarHBondContact CE1-CG2 3Å; H742-T765 VanDerWaalsContact ND1-CB 3.25Å; H742-T765 WeakPolarHBondContact ND1-CB 3.23Å; H742-T765 VanDerWaalsContact ND1-CG2 3.35Å; H742-T765 WeakPolarHBondContact ND1-CG2 3.39Å; F743-T765 PolarHBondContact N-O 2.9Å; T765-H788 WeakPolarHBondContact CA-O 3.43Å; T765-H788 HydrophobicContact CG2-CB 4.2Å
766	L	96.7	Very high	94.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	105.4	175.2	178.7	51.3	0	0	0	109.3	F743 L757 L763 L768 I780 L783 L786 H788 L789 E790	F743-L766 HydrophobicContact CB-CD1 4.47Å; F743-L766 HydrophobicContact CD1-CD1 3.76Å; F743-L766 WeakPolarHBondContact O-CA 3.47Å; L757-L766 HydrophobicContact CD2-CD1 4.08Å; L757-L766 HydrophobicContact CD2-CD2 4.43Å; L763-L766 HydrophobicContact CD2-CB 3.82Å; L763-L766 HydrophobicContact CD2-CD1 4.09Å; L763-L766 HydrophobicContact CD2-CD2 4.13Å; L763-L766 HydrophobicContact CD2-CG 4.23Å; L766-L768 HydrophobicContact CD1-CD1 3.86Å; L766-L768 HydrophobicContact CD1-CD2 4.04Å; L766-L768 HydrophobicContact CD1-CG 3.7Å; L766-L768 HydrophobicContact CD2-CD1 3.92Å; L766-L768 HydrophobicContact CG-CD1 3.74Å; L766-L768 HydrophobicContact CG-CG 3.94Å; L766-I780 HydrophobicContact CD2-CD1 4.11Å; L766-L783 HydrophobicContact CD2-CD1 4.45Å; L766-L786 HydrophobicContact CB-CD1 3.87Å; L766-H788 PolarHBondContact N-O 2.04Å; L766-L789 HydrophobicContact CB-CD1 3.95Å; L766-L789 HydrophobicContact CD2-CD1 3.91Å; L766-L789 HydrophobicContact CG-CD1 3.86Å; L766-L789 WeakPolarHBondContact O-CA 3.44Å; L766-E790 PolarHBondContact O-N 2.81Å
767	C	96.9	Very high	94.7	Very high	11 Å²	11	38.2 Å²	38.2	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	108.4	179.6	-65.5	0	0	0	0	110.1	F743 A744 I745 T746 E790	F743-C767 PolarHBondContact O-N 2.86Å; A744-C767 HydrophobicContact CB-CB 3.84Å; I745-C767 PolarHBondContact N-O 2.81Å; T746-C767 VanDerWaalsContact OG1-C 3.29Å; T746-C767 WeakPolarHBondContact OG1-CB 3.28Å; T746-C767 PolarHBondContact OG1-O 2.84Å; C767-E790 HydrophobicContact CB-CB 4.4Å
768	L	96	Very high	94.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.228	C	C	.	.			trans	-123.2	9.5	-176	-66.2	167.1	0	0	0	112	I730 I745 V753 L766 N771 I773 I776 E790 L791 N794	I730-L768 HydrophobicContact CD1-CD2 4.45Å; I745-L768 HydrophobicContact CG2-CD2 3.67Å; V753-L768 HydrophobicContact CG2-CD1 4.19Å; V753-L768 HydrophobicContact CG2-CD2 4.31Å; L766-L768 HydrophobicContact CD1-CD1 3.86Å; L766-L768 HydrophobicContact CD1-CD2 4.04Å; L766-L768 HydrophobicContact CD1-CG 3.7Å; L766-L768 HydrophobicContact CD2-CD1 3.92Å; L766-L768 HydrophobicContact CG-CD1 3.74Å; L766-L768 HydrophobicContact CG-CG 3.94Å; L768-N771 PolarHBondContact O-ND2 3.29Å; L768-I773 HydrophobicContact CB-CD1 3.84Å; L768-I773 HydrophobicContact CD1-CD1 4.34Å; L768-I773 HydrophobicContact CD2-CD1 4.14Å; L768-I773 HydrophobicContact CG-CD1 4.35Å; L768-I776 HydrophobicContact CD1-CD1 4.17Å; L768-E790 CarbonylContact C-O 3.33Å; L768-E790 WeakPolarHBondContact CA-O 3.35Å; L768-E790 WeakPolarHBondContact CB-O 3.3Å; L768-E790 PolarHBondContact N-O 3.42Å; L768-L791 HydrophobicContact CB-CD2 4.14Å; L768-L791 HydrophobicContact CD1-CD2 3.84Å; L768-N794 PolarHBondContact O-ND2 3.46Å
769	G	94.1	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.			trans	-61.4	164.2	-174.3	0	0	0	0	0	113.4	T746 G747 N771 E790 K792	T746-G769 CarbonylContact C-O 3.19Å; T746-G769 WeakPolarHBondContact CA-O 3.45Å; T746-G769 WeakPolarHBondContact CG2-O 3.01Å; T746-G769 PolarHBondContact OG1-N 3.01Å; T746-G769 VanDerWaalsContact OG1-N 3.16Å; G747-G769 PolarHBondContact N-O 3.27Å; G769-N771 PolarHBondContact O-N 2.97Å; G769-N771 PolarHBondContact O-ND2 2.95Å; G769-E790 PolarHBondContact N-O 3.24Å; G769-K792 CarbonylContact C-O 3.57Å; G769-K792 WeakPolarHBondContact CA-O 3.29Å
770	H	95.5	Very high	94.4	Very high	113 Å²	113	43.3 Å²	43.3	52%	0.523	22%	0.222	S	C	.	.	S	Bend	trans	48.1	58.9	176.9	-63.8	-68.6	0	0	0	113.1	G747 N748 K792 G793	G747-H770 CarbonylContact C-O 3.57Å; G747-H770 WeakPolarHBondContact CA-O 3.45Å; G747-H770 PolarHBondContact N-O 3.46Å; G747-H770 VanDerWaalsContact N-O 3.16Å; N748-H770 PolarHBondContact N-O 3.3Å; N748-H770 VanDerWaalsContact N-O 3.12Å; H770-K792 PolarHBondContact N-O 3.39Å; H770-G793 CarbonylContact C-O 3.16Å; H770-G793 WeakPolarHBondContact CA-O 3.29Å; H770-G793 PolarHBondContact N-O 3.47Å
771	N	96.5	Very high	94.1	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.053	23%	0.228	C	C	.	.	S	Bend	trans	-137.6	-172.3	179.6	-89.5	-85.8	0	0	0	109.5	I745 N748 K749 V750 L768 G769 I773 G793 N794	I745-N771 PolarHBondContact O-ND2 3.12Å; N748-N771 WeakPolarHBondContact CA-OD1 3.42Å; N748-N771 WeakPolarHBondContact CB-OD1 3.29Å; N748-N771 PolarHBondContact O-OD1 2.86Å; K749-N771 PolarHBondContact N-OD1 2.94Å; V750-N771 WeakPolarHBondContact CB-OD1 3.41Å; V750-N771 WeakPolarHBondContact CG2-OD1 3.32Å; V750-N771 PolarHBondContact N-OD1 2.84Å; L768-N771 PolarHBondContact O-ND2 3.29Å; G769-N771 PolarHBondContact O-N 2.97Å; G769-N771 PolarHBondContact O-ND2 2.95Å; N771-I773 HydrophobicContact CB-CD1 4.18Å; N771-I773 HydrophobicContact CB-CG1 4.09Å; N771-G793 PolarHBondContact N-O 3.25Å; N771-G793 VanDerWaalsContact N-O 3.08Å; N771-G793 VanDerWaalsContact O-O 3.11Å; N771-N794 WeakPolarHBondContact CA-OD1 3.33Å; N771-N794 WeakPolarHBondContact CB-OD1 3.3Å; N771-N794 PolarHBondContact O-OD1 3.41Å
772	C	95.1	Very high	94.1	Very high	55 Å²	55	45.6 Å²	45.6	37%	0.372	23%	0.231	S	C	.	.			trans	-107.3	23.2	-178.5	-60.3	0	0	0	0	112.6	V750 E751 T774 N794	V750-C772 CarbonylContact O-C 3.13Å; V750-C772 WeakPolarHBondContact O-CA 3.4Å; V750-C772 PolarHBondContact O-N 2.94Å; E751-C772 HydrophobicContact CG-CB 4.04Å; C772-T774 PolarHBondContact O-N 3.17Å; C772-N794 PolarHBondContact N-OD1 2.83Å
773	I	96.1	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.			trans	-69.6	124.2	-168.2	-56.4	164	0	0	0	110.3	V750 E751 V753 L768 N771 S775 I776 N794 C795 L796	V750-I773 HydrophobicContact CB-CG1 4.49Å; V750-I773 HydrophobicContact CG1-CG1 4.34Å; V750-I773 VanDerWaalsContact O-CG1 3.28Å; V750-I773 WeakPolarHBondContact O-CG1 3.45Å; V750-I773 PolarHBondContact O-N 3.46Å; V750-I773 VanDerWaalsContact O-N 3.13Å; E751-I773 WeakPolarHBondContact O-CA 3.42Å; V753-I773 HydrophobicContact CG2-CD1 3.67Å; V753-I773 HydrophobicContact CG2-CG1 4.12Å; V753-I773 HydrophobicContact CG2-CG2 3.99Å; L768-I773 HydrophobicContact CB-CD1 3.84Å; L768-I773 HydrophobicContact CD1-CD1 4.34Å; L768-I773 HydrophobicContact CD2-CD1 4.14Å; L768-I773 HydrophobicContact CG-CD1 4.35Å; N771-I773 HydrophobicContact CB-CD1 4.18Å; N771-I773 HydrophobicContact CB-CG1 4.09Å; I773-S775 WeakPolarHBondContact CG2-O 3.29Å; I773-I776 HydrophobicContact CG2-CD1 3.94Å; I773-N794 HydrophobicContact CB-CB 4.31Å; I773-N794 VanDerWaalsContact CB-OD1 3.22Å; I773-N794 WeakPolarHBondContact CB-OD1 3.45Å; I773-N794 VanDerWaalsContact CG1-OD1 3.25Å; I773-N794 WeakPolarHBondContact CG1-OD1 3.33Å; I773-N794 PolarHBondContact N-OD1 3.26Å; I773-C795 CarbonylContact O-C 3.5Å; I773-C795 WeakPolarHBondContact O-CA 3.44Å; I773-C795 PolarHBondContact O-N 2.89Å; I773-C795 VanDerWaalsContact O-N 3.08Å; I773-L796 HydrophobicContact CB-CD2 4.42Å; I773-L796 HydrophobicContact CG2-CD2 3.94Å; I773-L796 WeakPolarHBondContact O-CD2 3.32Å; I773-L796 PolarHBondContact O-N 3.29Å
774	T	93.3	Very high	93.7	Very high	70 Å²	70	43.9 Å²	43.9	43%	0.429	23%	0.231	S	C	.	.			trans	-87.5	-30.7	-179.5	52.3	0	0	0	0	113.8	E751 C772 C795	E751-T774 PolarHBondContact O-N 2.04Å; C772-T774 PolarHBondContact O-N 3.17Å; T774-C795 WeakPolarHBondContact CA-O 3.25Å
775	S	92.8	Very high	93.5	Very high	71 Å²	71	41.5 Å²	41.5	50%	0.497	23%	0.225	S	C	.	.			trans	-155.5	146.8	177.5	56.6	0	0	0	0	112.9	I773	I773-S775 WeakPolarHBondContact CG2-O 3.29Å
776	I	94	Very high	93.4	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.056	22%	0.218	C	C	.	.			trans	-97.3	122.5	170.2	-60.2	-59.7	0	0	0	109	V753 F758 L768 I773 I780 L791 L796 P800	V753-I776 HydrophobicContact CG2-CD1 4.1Å; F758-I776 HydrophobicContact CZ-CG2 4.44Å; L768-I776 HydrophobicContact CD1-CD1 4.17Å; I773-I776 HydrophobicContact CG2-CD1 3.94Å; I776-I780 HydrophobicContact CG2-CB 4.05Å; I776-I780 HydrophobicContact CG2-CG1 4.37Å; I776-I780 HydrophobicContact CG2-CG2 4.31Å; I776-L791 HydrophobicContact CD1-CD2 3.57Å; I776-L791 HydrophobicContact CG1-CD1 4.14Å; I776-L791 HydrophobicContact CG1-CD2 3.83Å; I776-L796 HydrophobicContact CD1-CD2 4.46Å; I776-L796 HydrophobicContact CG1-CD1 4.34Å; I776-L796 HydrophobicContact CG1-CD2 3.99Å; I776-P800 HydrophobicContact CB-CG 4.16Å; I776-P800 HydrophobicContact CG2-CG 4.08Å
777	P	92.9	Very high	93.2	Very high	21 Å²	21	41.5 Å²	41.5	14%	0.136	23%	0.225	C	C	.	.			trans	-62	140.4	177.7	-26.6	36.1	0	0	0	113.4	K755 F758 K779 I780	K755-P777 HydrophobicContact CG-CB 4.07Å; K755-P777 HydrophobicContact CG-CG 4.04Å; F758-P777 HydrophobicContact CD2-CB 4.4Å; F758-P777 HydrophobicContact CE2-CB 3.85Å; F758-P777 HydrophobicContact CE2-CG 3.82Å; F758-P777 HydrophobicContact CZ-CG 4.45Å; P777-K779 PolarHBondContact O-N 2.66Å; P777-I780 PolarHBondContact O-N 3.32Å
778	E	90.6	Very high	93.1	Very high	133 Å²	133	43.2 Å²	43.2	62%	0.621	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-47.7	-24.6	177.1	-57.4	-177.1	127.6	0	0	115	I780 G781 Q802	E778-I780 PolarHBondContact O-N 2.98Å; E778-I780 VanDerWaalsContact O-N 3.11Å; E778-G781 PolarHBondContact O-N 3.45Å; E778-Q802 HydrophobicContact CB-CG 4.14Å; E778-Q802 VanDerWaalsContact CD-NE2 3.3Å; E778-Q802 VanDerWaalsContact O-CB 3.22Å; E778-Q802 WeakPolarHBondContact O-CB 3.41Å; E778-Q802 PolarHBondContact OE1-NE2 3.06Å
779	K	92.4	Very high	93.1	Very high	99 Å²	99	43.2 Å²	43.2	43%	0.43	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-64.4	-9.1	176.6	-62.6	-166	176.8	-169.4	0	114	F758 P777 G781 H782	F758-K779 HydrophobicContact CB-CB 3.7Å; F758-K779 WeakPolarHBondContact CB-O 3.24Å; F758-K779 HydrophobicContact CD2-CB 3.87Å; F758-K779 HydrophobicContact CG-CB 3.91Å; P777-K779 PolarHBondContact O-N 2.66Å; K779-G781 PolarHBondContact O-N 3.31Å; K779-G781 VanDerWaalsContact O-N 3.17Å; K779-H782 WeakPolarHBondContact O-CB 3.47Å; K779-H782 PolarHBondContact O-N 2.94Å
780	I	92.3	Very high	93.2	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-48	-38.3	169.8	-172.8	69.7	0	0	0	112.1	F758 L766 I776 P777 E778 H782 L783 L786 L789 P800 L803 C806	F758-I780 HydrophobicContact CD1-CB 4.26Å; F758-I780 HydrophobicContact CD1-CD1 4.06Å; F758-I780 HydrophobicContact CE1-CB 4.08Å; F758-I780 HydrophobicContact CE1-CD1 3.63Å; F758-I780 HydrophobicContact CE1-CG1 4.46Å; L766-I780 HydrophobicContact CD2-CD1 4.11Å; I776-I780 HydrophobicContact CG2-CB 4.05Å; I776-I780 HydrophobicContact CG2-CG1 4.37Å; I776-I780 HydrophobicContact CG2-CG2 4.31Å; P777-I780 PolarHBondContact O-N 3.32Å; E778-I780 PolarHBondContact O-N 2.98Å; E778-I780 VanDerWaalsContact O-N 3.11Å; I780-H782 PolarHBondContact O-N 3.42Å; I780-L783 HydrophobicContact CD1-CD1 4.04Å; I780-L783 WeakPolarHBondContact O-CB 3.34Å; I780-L783 PolarHBondContact O-N 3.31Å; I780-L786 HydrophobicContact CD1-CD2 3.97Å; I780-L789 HydrophobicContact CD1-CD2 4.38Å; I780-P800 HydrophobicContact CG2-CB 4.39Å; I780-P800 HydrophobicContact CG2-CG 3.66Å; I780-L803 HydrophobicContact CG1-CD2 3.7Å; I780-L803 HydrophobicContact CG2-CD2 4.17Å; I780-L803 HydrophobicContact CG2-CG 4.24Å; I780-C806 PolarHBondContact O-SG 3.24Å
781	G	88	Confident	93.1	Very high	11 Å²	11	39.7 Å²	39.7	11%	0.113	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-64.6	-7.9	178.2	0	0	0	0	0	115.7	E778 K779 L783 Q802 H805	E778-G781 PolarHBondContact O-N 3.45Å; K779-G781 PolarHBondContact O-N 3.31Å; K779-G781 VanDerWaalsContact O-N 3.17Å; G781-L783 VanDerWaalsContact C-N 3.29Å; G781-Q802 WeakPolarHBondContact CA-O 3.37Å; G781-H805 WeakPolarHBondContact O-CB 3.47Å
782	H	91.6	Very high	93	Very high	112 Å²	112	44.7 Å²	44.7	52%	0.519	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-78.5	-12.3	169.2	-58.8	154.2	0	0	0	113.1	K779 I780 S784	K779-H782 WeakPolarHBondContact O-CB 3.47Å; K779-H782 PolarHBondContact O-N 2.94Å; I780-H782 PolarHBondContact O-N 3.42Å; H782-S784 VanDerWaalsContact C-N 3.27Å; H782-S784 PolarHBondContact O-N 3.18Å; H782-S784 VanDerWaalsContact O-N 3.07Å
783	L	92.4	Very high	92.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.			trans	-84.9	67.9	178.1	-57.3	-173.1	0	0	0	110.6	F758 C760 L763 L766 I780 G781 Q785 L786 C806	F758-L783 HydrophobicContact CD1-CD1 4Å; F758-L783 HydrophobicContact CD1-CG 4.29Å; C760-L783 WeakPolarHBondContact O-CD2 3.39Å; L763-L783 HydrophobicContact CB-CD1 4.31Å; L763-L783 HydrophobicContact CB-CD2 4.35Å; L763-L783 HydrophobicContact CD2-CD1 3.91Å; L766-L783 HydrophobicContact CD2-CD1 4.45Å; I780-L783 HydrophobicContact CD1-CD1 4.04Å; I780-L783 WeakPolarHBondContact O-CB 3.34Å; I780-L783 PolarHBondContact O-N 3.31Å; G781-L783 VanDerWaalsContact C-N 3.29Å; L783-Q785 PolarHBondContact O-N 2.82Å; L783-L786 HydrophobicContact CB-CB 3.94Å; L783-L786 HydrophobicContact CB-CD2 4.49Å; L783-L786 HydrophobicContact CD1-CD1 4.4Å; L783-L786 HydrophobicContact CD1-CD2 4.45Å; L783-L786 VanDerWaalsContact O-CB 3.24Å; L783-L786 WeakPolarHBondContact O-CB 3.38Å; L783-L786 PolarHBondContact O-N 2.92Å; L783-C806 PolarHBondContact O-SG 3.05Å; L783-C806 VanDerWaalsContact O-SG 3.36Å
784	S	88.3	Confident	92.8	Very high	59 Å²	59	44.2 Å²	44.2	41%	0.413	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	1.2	177.6	61.7	0	0	0	0	114.7	H782	H782-S784 VanDerWaalsContact C-N 3.27Å; H782-S784 PolarHBondContact O-N 3.18Å; H782-S784 VanDerWaalsContact O-N 3.07Å
785	Q	92.3	Very high	92.8	Very high	68 Å²	68	44.9 Å²	44.9	32%	0.318	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-0.5	172.1	-67	-65.4	-85	0	0	113.2	V761 L763 R764 L783 T787	V761-Q785 WeakPolarHBondContact O-CG 3.29Å; L763-Q785 CarbonylContact O-C 3.56Å; L763-Q785 VanDerWaalsContact O-C 3.23Å; R764-Q785 WeakPolarHBondContact CA-O 3.07Å; R764-Q785 HydrophobicContact CG-CB 4.49Å; R764-Q785 WeakPolarHBondContact CG-O 3.06Å; L783-Q785 PolarHBondContact O-N 2.82Å; Q785-T787 PolarHBondContact O-N 3.06Å
786	L	93.6	Very high	92.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.			trans	-70.5	116.1	-175.7	-166.7	69.1	0	0	0	110.6	L763 L766 I780 L783 L789 L808 L809	L763-L786 WeakPolarHBondContact O-CA 3.42Å; L763-L786 PolarHBondContact O-N 3.37Å; L766-L786 HydrophobicContact CB-CD1 3.87Å; I780-L786 HydrophobicContact CD1-CD2 3.97Å; L783-L786 HydrophobicContact CB-CB 3.94Å; L783-L786 HydrophobicContact CB-CD2 4.49Å; L783-L786 HydrophobicContact CD1-CD1 4.4Å; L783-L786 HydrophobicContact CD1-CD2 4.45Å; L783-L786 VanDerWaalsContact O-CB 3.24Å; L783-L786 WeakPolarHBondContact O-CB 3.38Å; L783-L786 PolarHBondContact O-N 2.92Å; L786-L789 HydrophobicContact CD2-CB 4.14Å; L786-L789 HydrophobicContact CD2-CD2 4.14Å; L786-L808 CarbonylContact O-C 3.39Å; L786-L809 HydrophobicContact CD2-CD2 4.46Å; L786-L809 PolarHBondContact O-N 3.27Å
787	T	93.3	Very high	92.5	Very high	26 Å²	26	48.3 Å²	48.3	16%	0.16	26%	0.256	C	S	.	.			trans	-105	-22.2	177.1	54.7	0	0	0	0	112.8	R764 Q785 L808 C813 F840	R764-T787 PolarHBondContact O-N 3.49Å; R764-T787 PolarHBondContact O-OG1 2.87Å; R764-T787 VanDerWaalsContact O-OG1 3.05Å; Q785-T787 PolarHBondContact O-N 3.06Å; T787-L808 WeakPolarHBondContact CA-O 3.44Å; T787-L808 HydrophobicContact CG2-CB 3.98Å; T787-L808 HydrophobicContact CG2-CD1 4.46Å; T787-C813 WeakPolarHBondContact O-CB 3.41Å; T787-F840 HydrophobicContact CG2-CE1 4.36Å; T787-F840 HydrophobicContact CG2-CZ 4.35Å
788	H	94.8	Very high	92.4	Very high	46 Å²	46	56.4 Å²	56.4	21%	0.213	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	131.6	-177.7	-173.8	97.9	0	0	0	111.8	R764 T765 L766 C813	R764-H788 PolarHBondContact O-N 3.14Å; T765-H788 WeakPolarHBondContact CA-O 3.43Å; T765-H788 HydrophobicContact CG2-CB 4.2Å; L766-H788 PolarHBondContact N-O 2.04Å; H788-C813 WeakPolarHBondContact CA-O 3.43Å; H788-C813 HydrophobicContact CB-CB 4.17Å; H788-C813 PolarHBondContact ND1-O 3.26Å
789	L	95.2	Very high	92.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	112.9	-176.8	177.4	56.3	0	0	0	109.9	L766 I780 L786 L791 L803 L809 C813 L814 L815	L766-L789 HydrophobicContact CB-CD1 3.95Å; L766-L789 HydrophobicContact CD2-CD1 3.91Å; L766-L789 HydrophobicContact CG-CD1 3.86Å; L766-L789 WeakPolarHBondContact O-CA 3.44Å; I780-L789 HydrophobicContact CD1-CD2 4.38Å; L786-L789 HydrophobicContact CD2-CB 4.14Å; L786-L789 HydrophobicContact CD2-CD2 4.14Å; L789-L791 HydrophobicContact CD1-CD1 4.39Å; L789-L791 HydrophobicContact CD1-CD2 4.1Å; L789-L791 HydrophobicContact CD1-CG 3.98Å; L789-L791 HydrophobicContact CD2-CD1 4.04Å; L789-L791 HydrophobicContact CD2-CG 4.46Å; L789-L791 HydrophobicContact CG-CD1 4.11Å; L789-L791 HydrophobicContact CG-CG 4Å; L789-L803 HydrophobicContact CD2-CD2 3.6Å; L789-L809 HydrophobicContact CB-CD1 3.93Å; L789-L809 HydrophobicContact CB-CD2 4.36Å; L789-L809 HydrophobicContact CD2-CD2 4.2Å; L789-C813 PolarHBondContact N-O 3.41Å; L789-L814 HydrophobicContact CB-CD1 4.04Å; L789-L814 HydrophobicContact CD2-CD1 3.89Å; L789-L814 HydrophobicContact CG-CD1 4Å; L789-L815 PolarHBondContact O-N 3.48Å
790	E	95.9	Very high	92.3	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.182	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.9	172.5	179.4	-167	-137.7	0	0	110.2	T746 L766 C767 L768 G769 L815	T746-E790 WeakPolarHBondContact CG2-OE2 3.45Å; T746-E790 PolarHBondContact OG1-OE2 3.27Å; L766-E790 PolarHBondContact O-N 2.81Å; C767-E790 HydrophobicContact CB-CB 4.4Å; L768-E790 CarbonylContact C-O 3.33Å; L768-E790 WeakPolarHBondContact CA-O 3.35Å; L768-E790 WeakPolarHBondContact CB-O 3.3Å; L768-E790 PolarHBondContact N-O 3.42Å; G769-E790 PolarHBondContact N-O 3.24Å; E790-L815 HydrophobicContact CB-CB 4.19Å; E790-L815 HydrophobicContact CB-CD1 4.37Å; E790-L815 HydrophobicContact CG-CB 4.13Å; E790-L815 HydrophobicContact CG-CD1 4.38Å
791	L	94.8	Very high	92.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.262	C	S	.	.			trans	-128.3	-11.3	178.8	-67.6	175	0	0	0	112.8	L768 I776 L789 N794 L796 L799 L815 V816	L768-L791 HydrophobicContact CB-CD2 4.14Å; L768-L791 HydrophobicContact CD1-CD2 3.84Å; I776-L791 HydrophobicContact CD1-CD2 3.57Å; I776-L791 HydrophobicContact CG1-CD1 4.14Å; I776-L791 HydrophobicContact CG1-CD2 3.83Å; L789-L791 HydrophobicContact CD1-CD1 4.39Å; L789-L791 HydrophobicContact CD1-CD2 4.1Å; L789-L791 HydrophobicContact CD1-CG 3.98Å; L789-L791 HydrophobicContact CD2-CD1 4.04Å; L789-L791 HydrophobicContact CD2-CG 4.46Å; L789-L791 HydrophobicContact CG-CD1 4.11Å; L789-L791 HydrophobicContact CG-CG 4Å; L791-N794 WeakPolarHBondContact O-CB 3.32Å; L791-N794 PolarHBondContact O-ND2 2.88Å; L791-L796 HydrophobicContact CB-CD1 4Å; L791-L796 HydrophobicContact CD1-CD1 4.18Å; L791-L796 HydrophobicContact CD2-CD1 4.4Å; L791-L796 HydrophobicContact CG-CD1 4.44Å; L791-L799 HydrophobicContact CD1-CD2 3.74Å; L791-L815 PolarHBondContact N-O 3.16Å; L791-V816 HydrophobicContact CB-CG1 3.91Å; L791-V816 HydrophobicContact CD1-CG1 3.93Å; L791-V816 HydrophobicContact CG-CG1 4.4Å
792	K	93.3	Very high	92.3	Very high	114 Å²	114	51.4 Å²	51.4	50%	0.496	27%	0.266	S	S	.	.			trans	-53	139.2	-177.5	-173.4	174.5	-176.9	170.2	0	113	G769 H770 L815 E817	G769-K792 CarbonylContact C-O 3.57Å; G769-K792 WeakPolarHBondContact CA-O 3.29Å; H770-K792 PolarHBondContact N-O 3.39Å; K792-L815 PolarHBondContact N-O 3.47Å; K792-E817 WeakPolarHBondContact CA-OE1 3.34Å
793	G	91.8	Very high	92.2	Very high	27 Å²	27	46.1 Å²	46.1	28%	0.278	24%	0.241	S	C	.	.	S	Bend	trans	77.8	39.2	-177	0	0	0	0	0	113.1	H770 N771 E817	H770-G793 CarbonylContact C-O 3.16Å; H770-G793 WeakPolarHBondContact CA-O 3.29Å; H770-G793 PolarHBondContact N-O 3.47Å; N771-G793 PolarHBondContact N-O 3.25Å; N771-G793 VanDerWaalsContact N-O 3.08Å; N771-G793 VanDerWaalsContact O-O 3.11Å; G793-E817 PolarHBondContact N-OE1 3.47Å
794	N	95.5	Very high	91.9	Very high	19 Å²	19	47 Å²	47	10%	0.102	25%	0.251	C	S	.	.	S	Bend	trans	-121.5	174.2	173.1	-82.9	-81.3	0	0	0	111.5	L768 N771 C772 I773 L791 L796	L768-N794 PolarHBondContact O-ND2 3.46Å; N771-N794 WeakPolarHBondContact CA-OD1 3.33Å; N771-N794 WeakPolarHBondContact CB-OD1 3.3Å; N771-N794 PolarHBondContact O-OD1 3.41Å; C772-N794 PolarHBondContact N-OD1 2.83Å; I773-N794 HydrophobicContact CB-CB 4.31Å; I773-N794 VanDerWaalsContact CB-OD1 3.22Å; I773-N794 WeakPolarHBondContact CB-OD1 3.45Å; I773-N794 VanDerWaalsContact CG1-OD1 3.25Å; I773-N794 WeakPolarHBondContact CG1-OD1 3.33Å; I773-N794 PolarHBondContact N-OD1 3.26Å; L791-N794 WeakPolarHBondContact O-CB 3.32Å; L791-N794 PolarHBondContact O-ND2 2.88Å; N794-L796 VanDerWaalsContact C-N 3.34Å; N794-L796 HydrophobicContact CB-CD1 4.3Å; N794-L796 HydrophobicContact CB-CG 3.98Å; N794-L796 PolarHBondContact O-N 3.42Å
795	C	92.8	Very high	91.8	Very high	83 Å²	83	50.1 Å²	50.1	56%	0.561	26%	0.259	S	S	*	.			trans	-98.1	41.9	179.9	-61.1	0	0	0	0	111.7	I773 T774	I773-C795 CarbonylContact O-C 3.5Å; I773-C795 WeakPolarHBondContact O-CA 3.44Å; I773-C795 PolarHBondContact O-N 2.89Å; I773-C795 VanDerWaalsContact O-N 3.08Å; T774-C795 WeakPolarHBondContact CA-O 3.25Å
796	L	93.4	Very high	91.6	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.058	25%	0.245	C	C	.	.			trans	-80.3	123.3	-175.6	-64.9	173.3	0	0	0	110.9	I773 I776 L791 N794 L799 L820	I773-L796 HydrophobicContact CB-CD2 4.42Å; I773-L796 HydrophobicContact CG2-CD2 3.94Å; I773-L796 WeakPolarHBondContact O-CD2 3.32Å; I773-L796 PolarHBondContact O-N 3.29Å; I776-L796 HydrophobicContact CD1-CD2 4.46Å; I776-L796 HydrophobicContact CG1-CD1 4.34Å; I776-L796 HydrophobicContact CG1-CD2 3.99Å; L791-L796 HydrophobicContact CB-CD1 4Å; L791-L796 HydrophobicContact CD1-CD1 4.18Å; L791-L796 HydrophobicContact CD2-CD1 4.4Å; L791-L796 HydrophobicContact CG-CD1 4.44Å; N794-L796 VanDerWaalsContact C-N 3.34Å; N794-L796 HydrophobicContact CB-CD1 4.3Å; N794-L796 HydrophobicContact CB-CG 3.98Å; N794-L796 PolarHBondContact O-N 3.42Å; L796-L799 HydrophobicContact CD1-CD2 4.23Å; L796-L820 HydrophobicContact CB-CD1 3.79Å; L796-L820 HydrophobicContact CD1-CD1 4.44Å; L796-L820 VanDerWaalsContact O-CD2 3.25Å; L796-L820 WeakPolarHBondContact O-CD2 3.49Å
797	D	88.1	Confident	91.1	Very high	143 Å²	143	51.2 Å²	51.2	77%	0.765	27%	0.274	S	S	*	.	S	Bend	trans	-74.2	-29.6	173.3	-63.8	-45.1	0	0	0	113.1
798	R	89.6	Confident	90.8	Very high	191 Å²	191	52.8 Å²	52.8	72%	0.721	28%	0.281	S	S	*	.			trans	-164.6	155.8	-172.4	55.7	179.1	170.7	168	-2.7	112
799	L	91.3	Very high	90.4	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.047	27%	0.272	C	S	.	.			trans	-93.8	143.3	171.8	-63.7	176	0	0	0	111.4	L791 L796 L803 V816 L820 L824	L791-L799 HydrophobicContact CD1-CD2 3.74Å; L796-L799 HydrophobicContact CD1-CD2 4.23Å; L799-L803 HydrophobicContact CB-CD1 3.92Å; L799-L803 HydrophobicContact CD1-CD1 4.33Å; L799-L803 HydrophobicContact CD2-CD1 4.46Å; L799-L803 HydrophobicContact CG-CD1 4.46Å; L799-V816 HydrophobicContact CD1-CB 4.39Å; L799-V816 HydrophobicContact CD1-CG1 3.93Å; L799-V816 HydrophobicContact CD1-CG2 4.35Å; L799-V816 HydrophobicContact CD2-CG1 4.15Å; L799-L820 HydrophobicContact CD1-CB 4.15Å; L799-L820 WeakPolarHBondContact CD1-O 3.48Å; L799-L820 HydrophobicContact CG-CB 4.09Å; L799-L824 HydrophobicContact CB-CD1 4.44Å; L799-L824 HydrophobicContact CB-CD2 3.71Å; L799-L824 HydrophobicContact CB-CG 4.11Å; L799-L824 HydrophobicContact CD1-CD1 3.98Å; L799-L824 HydrophobicContact CD1-CG 4.29Å
800	P	90.9	Very high	90	Very high	16 Å²	16	52.5 Å²	52.5	10%	0.104	28%	0.281	C	S	.	.			trans	-72.2	131.2	176.3	29.1	-34.7	0	0	0	111.3	I776 I780 Q802 L803	I776-P800 HydrophobicContact CB-CG 4.16Å; I776-P800 HydrophobicContact CG2-CG 4.08Å; I780-P800 HydrophobicContact CG2-CB 4.39Å; I780-P800 HydrophobicContact CG2-CG 3.66Å; P800-Q802 PolarHBondContact O-N 3.11Å; P800-L803 HydrophobicContact CG-CD1 4.48Å; P800-L803 HydrophobicContact CG-CG 4.32Å; P800-L803 WeakPolarHBondContact O-CB 3.47Å; P800-L803 WeakPolarHBondContact O-CG 3.31Å; P800-L803 PolarHBondContact O-N 3.26Å; P800-L803 VanDerWaalsContact O-N 3.07Å
801	V	88.5	Confident	89.5	Confident	75 Å²	75	54.1 Å²	54.1	46%	0.455	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.4	-24.3	-179.7	-56.7	0	0	0	0	113	L803 G804 P825	V801-L803 PolarHBondContact O-N 3.44Å; V801-L803 VanDerWaalsContact O-N 3.07Å; V801-G804 PolarHBondContact O-N 3.27Å; V801-G804 VanDerWaalsContact O-N 3.14Å; V801-P825 HydrophobicContact CB-CG 4.36Å; V801-P825 HydrophobicContact CG1-CG 3.67Å
802	Q	91.8	Very high	89	Confident	39 Å²	39	58.7 Å²	58.7	18%	0.182	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-65.2	-7.1	177.8	-60.4	85.1	-4.8	0	0	113.9	E778 G781 P800 G804 H805	E778-Q802 HydrophobicContact CB-CG 4.14Å; E778-Q802 VanDerWaalsContact CD-NE2 3.3Å; E778-Q802 VanDerWaalsContact O-CB 3.22Å; E778-Q802 WeakPolarHBondContact O-CB 3.41Å; E778-Q802 PolarHBondContact OE1-NE2 3.06Å; G781-Q802 WeakPolarHBondContact CA-O 3.37Å; P800-Q802 PolarHBondContact O-N 3.11Å; Q802-G804 PolarHBondContact O-N 3.15Å; Q802-H805 WeakPolarHBondContact O-CB 3.48Å; Q802-H805 PolarHBondContact O-N 3.48Å; Q802-H805 VanDerWaalsContact O-N 3.12Å; Q802-H805 PolarHBondContact O-ND1 3.03Å
803	L	89.1	Confident	88.8	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-55.8	-29.9	165.8	-78.7	167.9	0	0	0	112.9	I780 L789 L799 P800 V801 H805 C806 L809 I832	I780-L803 HydrophobicContact CG1-CD2 3.7Å; I780-L803 HydrophobicContact CG2-CD2 4.17Å; I780-L803 HydrophobicContact CG2-CG 4.24Å; L789-L803 HydrophobicContact CD2-CD2 3.6Å; L799-L803 HydrophobicContact CB-CD1 3.92Å; L799-L803 HydrophobicContact CD1-CD1 4.33Å; L799-L803 HydrophobicContact CD2-CD1 4.46Å; L799-L803 HydrophobicContact CG-CD1 4.46Å; P800-L803 HydrophobicContact CG-CD1 4.48Å; P800-L803 HydrophobicContact CG-CG 4.32Å; P800-L803 WeakPolarHBondContact O-CB 3.47Å; P800-L803 WeakPolarHBondContact O-CG 3.31Å; P800-L803 PolarHBondContact O-N 3.26Å; P800-L803 VanDerWaalsContact O-N 3.07Å; V801-L803 PolarHBondContact O-N 3.44Å; V801-L803 VanDerWaalsContact O-N 3.07Å; L803-H805 PolarHBondContact O-N 3.23Å; L803-H805 VanDerWaalsContact O-N 3.09Å; L803-C806 WeakPolarHBondContact O-CB 3.5Å; L803-C806 PolarHBondContact O-N 3.44Å; L803-L809 HydrophobicContact CD2-CD2 4.09Å; L803-I832 HydrophobicContact CB-CD1 4.41Å
804	G	84.8	Confident	88.7	Confident	20 Å²	20	54 Å²	54	21%	0.206	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-62.4	-13.3	175.2	0	0	0	0	0	114.6	V801 Q802	V801-G804 PolarHBondContact O-N 3.27Å; V801-G804 VanDerWaalsContact O-N 3.14Å; Q802-G804 PolarHBondContact O-N 3.15Å
805	H	87.2	Confident	88.6	Confident	123 Å²	123	56.4 Å²	56.4	57%	0.569	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-84.2	-10	173.1	-53.9	120.6	0	0	0	113.4	G781 Q802 L803 S807	G781-H805 WeakPolarHBondContact O-CB 3.47Å; Q802-H805 WeakPolarHBondContact O-CB 3.48Å; Q802-H805 PolarHBondContact O-N 3.48Å; Q802-H805 VanDerWaalsContact O-N 3.12Å; Q802-H805 PolarHBondContact O-ND1 3.03Å; L803-H805 PolarHBondContact O-N 3.23Å; L803-H805 VanDerWaalsContact O-N 3.09Å; H805-S807 VanDerWaalsContact C-N 3.31Å; H805-S807 PolarHBondContact O-N 3.21Å
806	C	87.7	Confident	88.6	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.034	28%	0.282	C	S	.	.			trans	-82.1	73.3	174.6	-69.3	0	0	0	0	110.4	I780 L783 L803 L808 L809	I780-C806 PolarHBondContact O-SG 3.24Å; L783-C806 PolarHBondContact O-SG 3.05Å; L783-C806 VanDerWaalsContact O-SG 3.36Å; L803-C806 WeakPolarHBondContact O-CB 3.5Å; L803-C806 PolarHBondContact O-N 3.44Å; C806-L808 PolarHBondContact O-N 2.85Å; C806-L809 HydrophobicContact CB-CB 3.9Å; C806-L809 HydrophobicContact CB-CD2 4.22Å; C806-L809 WeakPolarHBondContact O-CB 3.46Å; C806-L809 PolarHBondContact O-N 2.9Å
807	S	83.1	Confident	88.5	Confident	86 Å²	86	54.3 Å²	54.3	60%	0.601	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	5.8	-171.7	61.8	0	0	0	0	117.2	H805	H805-S807 VanDerWaalsContact C-N 3.31Å; H805-S807 PolarHBondContact O-N 3.21Å
808	L	87.5	Confident	88.5	Confident	60 Å²	60	52.2 Å²	52.2	31%	0.314	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	4.5	172.9	-58.4	-178.9	0	0	0	112.9	L786 T787 C806 N810	L786-L808 CarbonylContact O-C 3.39Å; T787-L808 WeakPolarHBondContact CA-O 3.44Å; T787-L808 HydrophobicContact CG2-CB 3.98Å; T787-L808 HydrophobicContact CG2-CD1 4.46Å; C806-L808 PolarHBondContact O-N 2.85Å; L808-N810 PolarHBondContact O-N 2.86Å
809	L	86.8	Confident	88.5	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	27%	0.272	C	S	.	.			trans	-94.1	92.3	-176.5	-178.4	64.1	0	0	0	110.9	L786 L789 L803 C806 L814	L786-L809 HydrophobicContact CD2-CD2 4.46Å; L786-L809 PolarHBondContact O-N 3.27Å; L789-L809 HydrophobicContact CB-CD1 3.93Å; L789-L809 HydrophobicContact CB-CD2 4.36Å; L789-L809 HydrophobicContact CD2-CD2 4.2Å; L803-L809 HydrophobicContact CD2-CD2 4.09Å; C806-L809 HydrophobicContact CB-CB 3.9Å; C806-L809 HydrophobicContact CB-CD2 4.22Å; C806-L809 WeakPolarHBondContact O-CB 3.46Å; C806-L809 PolarHBondContact O-N 2.9Å; L809-L814 HydrophobicContact CD1-CB 4.4Å; L809-L814 HydrophobicContact CD2-CD1 4.4Å
810	N	86.3	Confident	88.4	Confident	37 Å²	37	49.1 Å²	49.1	20%	0.198	27%	0.271	C	S	.	.			trans	-78.8	151.4	177.7	-59.7	8.8	0	0	0	111.5	L808 S812 C813 L814 I832	L808-N810 PolarHBondContact O-N 2.86Å; N810-S812 PolarHBondContact O-N 3.05Å; N810-S812 VanDerWaalsContact O-N 3.11Å; N810-C813 PolarHBondContact O-N 3.08Å; N810-L814 PolarHBondContact O-N 3.07Å; N810-I832 CarbonylContact C-O 3.56Å
811	R	86.1	Confident	88.3	Confident	74 Å²	74	49 Å²	49	28%	0.279	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-52.3	-34.3	179.4	179	54.7	174.1	103	-3.8	114.8	C813 L814 D818 F821 I832 N833	R811-C813 PolarHBondContact O-N 3.44Å; R811-L814 PolarHBondContact NH1-O 3.3Å; R811-L814 PolarHBondContact O-N 3.11Å; R811-D818 IonicContact CZ-OD1 3.35Å; R811-D818 IonicContact NH2-OD1 2.7Å; R811-D818 PolarHBondContact NH2-OD1 3.32Å; R811-F821 HydrophobicContact CG-CZ 4.47Å; R811-I832 HydrophobicContact CB-CG2 4.06Å; R811-I832 PolarHBondContact N-O 3.15Å; R811-N833 WeakPolarHBondContact CB-OD1 3.31Å
812	S	84.1	Confident	88.3	Confident	97 Å²	97	50.4 Å²	50.4	68%	0.678	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66.8	-19.7	177	49.6	0	0	0	0	113.9	N810	N810-S812 PolarHBondContact O-N 3.05Å; N810-S812 VanDerWaalsContact O-N 3.11Å
813	C	87.8	Confident	88	Confident	41 Å²	41	51.6 Å²	51.6	28%	0.277	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-111.1	4.8	179.8	-64.6	0	0	0	0	113.4	T787 H788 L789 N810 R811	T787-C813 WeakPolarHBondContact O-CB 3.41Å; H788-C813 WeakPolarHBondContact CA-O 3.43Å; H788-C813 HydrophobicContact CB-CB 4.17Å; H788-C813 PolarHBondContact ND1-O 3.26Å; L789-C813 PolarHBondContact N-O 3.41Å; N810-C813 PolarHBondContact O-N 3.08Å; R811-C813 PolarHBondContact O-N 3.44Å
814	L	90.9	Very high	88	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	98.2	171.7	178.1	56.9	0	0	0	109.5	L789 L809 N810 R811 V816 F821 I832	L789-L814 HydrophobicContact CB-CD1 4.04Å; L789-L814 HydrophobicContact CD2-CD1 3.89Å; L789-L814 HydrophobicContact CG-CD1 4Å; L809-L814 HydrophobicContact CD1-CB 4.4Å; L809-L814 HydrophobicContact CD2-CD1 4.4Å; N810-L814 PolarHBondContact O-N 3.07Å; R811-L814 PolarHBondContact NH1-O 3.3Å; R811-L814 PolarHBondContact O-N 3.11Å; L814-V816 HydrophobicContact CD1-CG1 3.77Å; L814-V816 HydrophobicContact CG-CG1 4.15Å; L814-V816 HydrophobicContact CG-CG2 4.12Å; L814-V816 PolarHBondContact O-N 2.67Å; L814-F821 HydrophobicContact CD2-CD2 4.01Å; L814-F821 HydrophobicContact CD2-CE2 4.17Å; L814-I832 HydrophobicContact CD2-CD1 4.21Å; L814-I832 HydrophobicContact CD2-CG2 4.22Å
815	L	92.5	Very high	88.2	Confident	70 Å²	70	53.1 Å²	53.1	37%	0.366	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	89.3	-177.6	-56.7	179.6	0	0	0	110.2	L789 E790 L791 K792	L789-L815 PolarHBondContact O-N 3.48Å; E790-L815 HydrophobicContact CB-CB 4.19Å; E790-L815 HydrophobicContact CB-CD1 4.37Å; E790-L815 HydrophobicContact CG-CB 4.13Å; E790-L815 HydrophobicContact CG-CD1 4.38Å; L791-L815 PolarHBondContact N-O 3.16Å; K792-L815 PolarHBondContact N-O 3.47Å
816	V	92.9	Very high	88.1	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.048	29%	0.292	C	S	.	.			trans	-125.5	165.7	176.9	-69.4	0	0	0	0	109.9	L791 L799 L814 F821	L791-V816 HydrophobicContact CB-CG1 3.91Å; L791-V816 HydrophobicContact CD1-CG1 3.93Å; L791-V816 HydrophobicContact CG-CG1 4.4Å; L799-V816 HydrophobicContact CD1-CB 4.39Å; L799-V816 HydrophobicContact CD1-CG1 3.93Å; L799-V816 HydrophobicContact CD1-CG2 4.35Å; L799-V816 HydrophobicContact CD2-CG1 4.15Å; L814-V816 HydrophobicContact CD1-CG1 3.77Å; L814-V816 HydrophobicContact CG-CG1 4.15Å; L814-V816 HydrophobicContact CG-CG2 4.12Å; L814-V816 PolarHBondContact O-N 2.67Å; V816-F821 HydrophobicContact CG2-CB 3.86Å
817	E	91.6	Very high	87.9	Confident	43 Å²	43	58.8 Å²	58.8	20%	0.201	32%	0.321	C	S	.	.			trans	-63.8	137.7	161.2	-68.7	69.9	-161.2	0	0	110.8	K792 G793 H819 L820 F821	K792-E817 WeakPolarHBondContact CA-OE1 3.34Å; G793-E817 PolarHBondContact N-OE1 3.47Å; E817-H819 VanDerWaalsContact C-N 3.31Å; E817-H819 PolarHBondContact O-N 2.75Å; E817-L820 HydrophobicContact CB-CD1 4.24Å; E817-L820 HydrophobicContact CB-CG 4.21Å; E817-L820 WeakPolarHBondContact O-CB 3.3Å; E817-L820 PolarHBondContact O-N 2.85Å; E817-F821 PolarHBondContact O-N 3.35Å; E817-F821 VanDerWaalsContact O-N 3.16Å
818	D	88.9	Confident	88	Confident	98 Å²	98	55.5 Å²	55.5	52%	0.524	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-34.1	-172.8	-57.5	-68.9	0	0	0	113	R811 L820 F821 D822	R811-D818 IonicContact CZ-OD1 3.35Å; R811-D818 IonicContact NH2-OD1 2.7Å; R811-D818 PolarHBondContact NH2-OD1 3.32Å; D818-L820 PolarHBondContact O-N 2.89Å; D818-F821 WeakPolarHBondContact O-CB 3.32Å; D818-F821 PolarHBondContact O-N 3.05Å; D818-F821 VanDerWaalsContact O-N 3.1Å; D818-D822 PolarHBondContact O-N 2.64Å
819	H	89.3	Confident	87.9	Confident	132 Å²	132	54.6 Å²	54.6	61%	0.611	29%	0.291	S	S	*	.	H	α-helix	trans	-62.7	-28.1	174.3	71.9	-92.3	0	0	0	113.4	E817 S823	E817-H819 VanDerWaalsContact C-N 3.31Å; E817-H819 PolarHBondContact O-N 2.75Å; H819-S823 PolarHBondContact O-N 2.68Å
820	L	89.1	Confident	87.7	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-78.6	-36.7	174	-62.8	-179.2	0	0	0	111.4	L796 L799 E817 D818 S823	L796-L820 HydrophobicContact CB-CD1 3.79Å; L796-L820 HydrophobicContact CD1-CD1 4.44Å; L796-L820 VanDerWaalsContact O-CD2 3.25Å; L796-L820 WeakPolarHBondContact O-CD2 3.49Å; L799-L820 HydrophobicContact CD1-CB 4.15Å; L799-L820 WeakPolarHBondContact CD1-O 3.48Å; L799-L820 HydrophobicContact CG-CB 4.09Å; E817-L820 HydrophobicContact CB-CD1 4.24Å; E817-L820 HydrophobicContact CB-CG 4.21Å; E817-L820 WeakPolarHBondContact O-CB 3.3Å; E817-L820 PolarHBondContact O-N 2.85Å; D818-L820 PolarHBondContact O-N 2.89Å; L820-S823 PolarHBondContact O-N 3.32Å; L820-S823 PolarHBondContact O-OG 3.47Å
821	F	88.9	Confident	87.5	Confident	13 Å²	13	60.9 Å²	60.9	6%	0.057	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-46.9	170.6	-175	-102.2	0	0	0	111.2	R811 L814 V816 E817 D818 S823 L824 K829 I832	R811-F821 HydrophobicContact CG-CZ 4.47Å; L814-F821 HydrophobicContact CD2-CD2 4.01Å; L814-F821 HydrophobicContact CD2-CE2 4.17Å; V816-F821 HydrophobicContact CG2-CB 3.86Å; E817-F821 PolarHBondContact O-N 3.35Å; E817-F821 VanDerWaalsContact O-N 3.16Å; D818-F821 WeakPolarHBondContact O-CB 3.32Å; D818-F821 PolarHBondContact O-N 3.05Å; D818-F821 VanDerWaalsContact O-N 3.1Å; F821-S823 PolarHBondContact O-N 3.48Å; F821-L824 HydrophobicContact CD2-CD1 4.13Å; F821-L824 HydrophobicContact CE2-CD1 4.39Å; F821-L824 VanDerWaalsContact O-CB 3.31Å; F821-L824 WeakPolarHBondContact O-CB 3.22Å; F821-L824 PolarHBondContact O-N 3.16Å; F821-K829 HydrophobicContact CD1-CD 4.22Å; F821-K829 HydrophobicContact CE1-CB 4.35Å; F821-K829 HydrophobicContact CE1-CD 3.9Å; F821-K829 HydrophobicContact CE1-CG 3.9Å; F821-K829 HydrophobicContact CE2-CG 4.3Å; F821-K829 HydrophobicContact CZ-CB 4.08Å; F821-K829 HydrophobicContact CZ-CD 4.32Å; F821-K829 HydrophobicContact CZ-CG 3.79Å; F821-K829 WeakPolarHBondContact O-CD 3.43Å; F821-I832 HydrophobicContact CE2-CG2 4.07Å
822	D	87.1	Confident	87.2	Confident	104 Å²	104	57.5 Å²	57.5	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-61.6	-29.3	-180	-73.5	-29.2	0	0	0	113	D818 L824 K829	D818-D822 PolarHBondContact O-N 2.64Å; D822-L824 PolarHBondContact O-N 2.83Å; D822-K829 PolarHBondContact O-NZ 2.83Å
823	S	87	Confident	86.9	Confident	65 Å²	65	57.1 Å²	57.1	46%	0.455	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.7	174.9	81.3	0	0	0	0	114.7	H819 L820 F821	H819-S823 PolarHBondContact O-N 2.68Å; L820-S823 PolarHBondContact O-N 3.32Å; L820-S823 PolarHBondContact O-OG 3.47Å; F821-S823 PolarHBondContact O-N 3.48Å
824	L	88.4	Confident	85.9	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.026	32%	0.319	C	S	.	.	S	Bend	trans	-71.9	149.9	177.7	-70.6	170.1	0	0	0	112.1	L799 F821 D822 V828 K829	L799-L824 HydrophobicContact CB-CD1 4.44Å; L799-L824 HydrophobicContact CB-CD2 3.71Å; L799-L824 HydrophobicContact CB-CG 4.11Å; L799-L824 HydrophobicContact CD1-CD1 3.98Å; L799-L824 HydrophobicContact CD1-CG 4.29Å; F821-L824 HydrophobicContact CD2-CD1 4.13Å; F821-L824 HydrophobicContact CE2-CD1 4.39Å; F821-L824 VanDerWaalsContact O-CB 3.31Å; F821-L824 WeakPolarHBondContact O-CB 3.22Å; F821-L824 PolarHBondContact O-N 3.16Å; D822-L824 PolarHBondContact O-N 2.83Å; L824-V828 HydrophobicContact CB-CG1 4.44Å; L824-V828 HydrophobicContact CD1-CG1 4.17Å; L824-V828 HydrophobicContact CD2-CG1 4.23Å; L824-K829 HydrophobicContact CB-CD 4.27Å; L824-K829 HydrophobicContact CB-CG 3.86Å; L824-K829 WeakPolarHBondContact O-CE 3.38Å; L824-K829 PolarHBondContact O-NZ 3.05Å
825	P	89.5	Confident	84	Confident	47 Å²	47	70.1 Å²	70.1	31%	0.305	36%	0.359	S	S	.	.			trans	-56.4	155.3	170.5	-23.3	33.5	0	0	0	112.8	V801 E827 V828 K829	V801-P825 HydrophobicContact CB-CG 4.36Å; V801-P825 HydrophobicContact CG1-CG 3.67Å; P825-E827 VanDerWaalsContact C-N 3.31Å; P825-E827 WeakPolarHBondContact CB-OE2 3.08Å; P825-E827 PolarHBondContact O-N 2.84Å; P825-V828 HydrophobicContact CB-CG2 4.25Å; P825-V828 HydrophobicContact CG-CG2 4.28Å; P825-V828 PolarHBondContact O-N 2.83Å; P825-K829 PolarHBondContact O-N 2.87Å
826	I	84.3	Confident	81.8	Confident	110 Å²	110	68.7 Å²	68.7	56%	0.564	36%	0.358	S	S	*	.	H	α-helix	trans	-63.4	-41.5	-175	-61.5	174.4	0	0	0	110.2	V828 K829 E830	I826-V828 VanDerWaalsContact C-N 3.28Å; I826-V828 PolarHBondContact O-N 2.7Å; I826-K829 PolarHBondContact O-N 3.45Å; I826-K829 VanDerWaalsContact O-N 3.12Å; I826-E830 HydrophobicContact CG2-CG 4.31Å; I826-E830 WeakPolarHBondContact O-CG 3.26Å; I826-E830 PolarHBondContact O-N 2.86Å
827	E	84.6	Confident	79	Confident	138 Å²	138	74.3 Å²	74.3	65%	0.645	40%	0.397	S	S	*	.	H	α-helix	trans	-59.2	-38.6	178.9	-50.3	82.5	173	0	0	111.8	P825 S831	P825-E827 VanDerWaalsContact C-N 3.31Å; P825-E827 WeakPolarHBondContact CB-OE2 3.08Å; P825-E827 PolarHBondContact O-N 2.84Å; E827-S831 WeakPolarHBondContact O-CB 3.42Å; E827-S831 PolarHBondContact O-N 3.46Å
828	V	84.5	Confident	76.5	Confident	16 Å²	16	76.6 Å²	76.6	10%	0.097	41%	0.414	C	S	.	.	H	α-helix	trans	-73.7	-40.2	177.5	179.2	0	0	0	0	110.7	L824 P825 I826 S831 I832	L824-V828 HydrophobicContact CB-CG1 4.44Å; L824-V828 HydrophobicContact CD1-CG1 4.17Å; L824-V828 HydrophobicContact CD2-CG1 4.23Å; P825-V828 HydrophobicContact CB-CG2 4.25Å; P825-V828 HydrophobicContact CG-CG2 4.28Å; P825-V828 PolarHBondContact O-N 2.83Å; I826-V828 VanDerWaalsContact C-N 3.28Å; I826-V828 PolarHBondContact O-N 2.7Å; V828-S831 PolarHBondContact O-N 3.35Å; V828-I832 HydrophobicContact CG1-CD1 3.82Å; V828-I832 WeakPolarHBondContact O-CG1 3.42Å; V828-I832 PolarHBondContact O-N 3.38Å; V828-I832 VanDerWaalsContact O-N 3.09Å
829	K	85.4	Confident	73.7	Confident	42 Å²	42	77.5 Å²	77.5	18%	0.183	43%	0.428	C	S	.	.	H	α-helix	trans	-66.6	-40.9	176.7	-70.1	-176.3	-67.7	-152.4	0	111.7	F821 D822 L824 P825 I826 I832 N833	F821-K829 HydrophobicContact CD1-CD 4.22Å; F821-K829 HydrophobicContact CE1-CB 4.35Å; F821-K829 HydrophobicContact CE1-CD 3.9Å; F821-K829 HydrophobicContact CE1-CG 3.9Å; F821-K829 HydrophobicContact CE2-CG 4.3Å; F821-K829 HydrophobicContact CZ-CB 4.08Å; F821-K829 HydrophobicContact CZ-CD 4.32Å; F821-K829 HydrophobicContact CZ-CG 3.79Å; F821-K829 WeakPolarHBondContact O-CD 3.43Å; D822-K829 PolarHBondContact O-NZ 2.83Å; L824-K829 HydrophobicContact CB-CD 4.27Å; L824-K829 HydrophobicContact CB-CG 3.86Å; L824-K829 WeakPolarHBondContact O-CE 3.38Å; L824-K829 PolarHBondContact O-NZ 3.05Å; P825-K829 PolarHBondContact O-N 2.87Å; I826-K829 PolarHBondContact O-N 3.45Å; I826-K829 VanDerWaalsContact O-N 3.12Å; K829-I832 PolarHBondContact O-N 3.41Å; K829-N833 VanDerWaalsContact O-CB 3.25Å; K829-N833 WeakPolarHBondContact O-CB 3.27Å; K829-N833 PolarHBondContact O-N 3.31Å; K829-N833 PolarHBondContact O-ND2 2.77Å
830	E	82.9	Confident	71.3	Confident	118 Å²	118	78.4 Å²	78.4	55%	0.551	43%	0.43	S	S	*	.	H	α-helix	trans	-62.2	-45.8	172.7	-73.6	-179.1	179.3	0	0	111.5	I826 I832 N833 Q834	I826-E830 HydrophobicContact CG2-CG 4.31Å; I826-E830 WeakPolarHBondContact O-CG 3.26Å; I826-E830 PolarHBondContact O-N 2.86Å; E830-I832 VanDerWaalsContact C-N 3.26Å; E830-I832 PolarHBondContact O-N 3.42Å; E830-N833 PolarHBondContact O-N 3.4Å; E830-Q834 WeakPolarHBondContact O-CG 3.35Å; E830-Q834 PolarHBondContact O-N 3.07Å
831	S	81	Confident	68.6	Low	53 Å²	53	84 Å²	84	37%	0.371	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-28.3	177.5	-171.6	0	0	0	0	114.2	E827 V828	E827-S831 WeakPolarHBondContact O-CB 3.42Å; E827-S831 PolarHBondContact O-N 3.46Å; V828-S831 PolarHBondContact O-N 3.35Å
832	I	81.1	Confident	66	Low	3 Å²	3	91.6 Å²	91.6	2%	0.015	51%	0.508	C	S	.	.	H	α-helix	trans	-89.3	-21.8	178.3	-69	169.9	0	0	0	111.7	L803 N810 R811 L814 F821 V828 K829 E830	L803-I832 HydrophobicContact CB-CD1 4.41Å; N810-I832 CarbonylContact C-O 3.56Å; R811-I832 HydrophobicContact CB-CG2 4.06Å; R811-I832 PolarHBondContact N-O 3.15Å; L814-I832 HydrophobicContact CD2-CD1 4.21Å; L814-I832 HydrophobicContact CD2-CG2 4.22Å; F821-I832 HydrophobicContact CE2-CG2 4.07Å; V828-I832 HydrophobicContact CG1-CD1 3.82Å; V828-I832 WeakPolarHBondContact O-CG1 3.42Å; V828-I832 PolarHBondContact O-N 3.38Å; V828-I832 VanDerWaalsContact O-N 3.09Å; K829-I832 PolarHBondContact O-N 3.41Å; E830-I832 VanDerWaalsContact C-N 3.26Å; E830-I832 PolarHBondContact O-N 3.42Å
833	N	77.8	Confident	63.3	Low	89 Å²	89	90 Å²	90	48%	0.476	52%	0.516	S	S	.	.	H	α-helix	trans	-87.7	-13	176.1	-72.2	-16.3	0	0	0	113.6	R811 K829 E830 E835	R811-N833 WeakPolarHBondContact CB-OD1 3.31Å; K829-N833 VanDerWaalsContact O-CB 3.25Å; K829-N833 WeakPolarHBondContact O-CB 3.27Å; K829-N833 PolarHBondContact O-N 3.31Å; K829-N833 PolarHBondContact O-ND2 2.77Å; E830-N833 PolarHBondContact O-N 3.4Å; N833-E835 PolarHBondContact O-N 3.25Å
834	Q	66.3	Low	60.3	Low	136 Å²	136	92.8 Å²	92.8	64%	0.636	53%	0.534	S	S	*	.	S	Bend	trans	-67.1	116.3	172.3	-77.1	175.3	25.7	0	0	110.3	E830 A836	E830-Q834 WeakPolarHBondContact O-CG 3.35Å; E830-Q834 PolarHBondContact O-N 3.07Å; Q834-A836 PolarHBondContact O-N 3.47Å
835	E	51.1	Low	57.4	Low	179 Å²	179	102.3 Å²	102.3	84%	0.836	58%	0.575	S	S	*	*			trans	-68.6	97.4	175.2	-68.1	-165.7	139.3	0	0	110.6	N833 S837	N833-E835 PolarHBondContact O-N 3.25Å; E835-S837 PolarHBondContact O-N 2.75Å
836	A	45.7	Very low	54.2	Low	40 Å²	40	106.1 Å²	106.1	33%	0.331	60%	0.602	S	S	.	*			trans	-59.9	106	169	0	0	0	0	0	109.6	Q834 V838	Q834-A836 PolarHBondContact O-N 3.47Å; A836-V838 PolarHBondContact O-N 3.26Å
837	S	34.3	Very low	51.6	Low	126 Å²	126	107.6 Å²	107.6	88%	0.881	61%	0.61	S	S	*	*			trans	-74.2	68.4	-173.3	65	0	0	0	0	112.4	E835	E835-S837 PolarHBondContact O-N 2.75Å
838	V	38.9	Very low	48.8	Very low	90 Å²	90	110 Å²	110	55%	0.545	62%	0.623	S	S	.	*			trans	-122.9	111.2	-177.2	-176.2	0	0	0	0	109.5	A836 F840	A836-V838 PolarHBondContact O-N 3.26Å; V838-F840 PolarHBondContact O-N 3.4Å
839	S	31.1	Very low	45.9	Very low	118 Å²	118	118.9 Å²	118.9	83%	0.825	66%	0.664	S	S	*	*			trans	-71.5	112.5	174.5	44.1	0	0	0	0	110.8	P841	S839-P841 WeakPolarHBondContact O-CD 3.36Å
840	F	38.9	Very low	43	Very low	151 Å²	151	120.7 Å²	120.7	66%	0.662	70%	0.695	S	S	*	*			trans	-74.7	124.4	176.7	-71.3	-86.7	0	0	0	111.4	T787 V838 N842	T787-F840 HydrophobicContact CG2-CE1 4.36Å; T787-F840 HydrophobicContact CG2-CZ 4.35Å; V838-F840 PolarHBondContact O-N 3.4Å; F840-N842 PolarHBondContact O-N 3.25Å
841	P	31.8	Very low	40.4	Very low	120 Å²	120	130.6 Å²	130.6	78%	0.779	73%	0.727	S	S	*	*			trans	-71.9	126.1	166.3	29.5	-32.3	0	0	0	110.1	S839 G843	S839-P841 WeakPolarHBondContact O-CD 3.36Å; P841-G843 PolarHBondContact O-N 3.35Å
842	N	34.3	Very low	38.3	Very low	174 Å²	174	134.5 Å²	134.5	93%	0.93	75%	0.745	S	S	*	*	S	Bend	trans	0.1	97.2	171.1	-68.7	-20	0	0	0	116.8	F840	F840-N842 PolarHBondContact O-N 3.25Å
843	G	30.1	Very low	36.1	Very low	71 Å²	71	141.4 Å²	141.4	73%	0.732	78%	0.783	S	S	*	*			trans	-157.2	6.9	-177.4	0	0	0	0	0	118.5	P841	P841-G843 PolarHBondContact O-N 3.35Å
844	C	25.7	Very low	33.8	Very low	123 Å²	123	144.3 Å²	144.3	83%	0.831	80%	0.8	S	S	*	*			trans	-147.1	71	179.4	-89.8	0	0	0	0	113.1
845	K	25.6	Very low	31.8	Very low	204 Å²	204	144.8 Å²	144.8	89%	0.887	81%	0.81	S	S	*	*			trans	-129.9	65.4	165.2	-83.5	-167.7	173.1	-175.8	0	110.9
846	C	24	Very low	30.6	Very low	127 Å²	127	142.6 Å²	142.6	86%	0.858	81%	0.808	S	S	*	*	S	Bend	trans	-142	5.7	172.1	-78.3	0	0	0	0	113.9
847	L	29.4	Very low	29.6	Very low	142 Å²	142	149.5 Å²	149.5	74%	0.743	84%	0.84	S	S	*	*	S	Bend	trans	-132.7	60.9	-174.8	-72.1	172.6	0	0	0	110.9
848	M	24.4	Very low	29.3	Very low	187 Å²	187	151.1 Å²	151.1	92%	0.921	84%	0.837	S	S	*	*	S	Bend	trans	-167.9	24.5	164.3	-107.3	-57.7	179.1	0	0	113.9
849	E	23.9	Very low	28.6	Very low	203 Å²	203	155.8 Å²	155.8	95%	0.949	86%	0.859	S	S	*	*			trans	-120.4	114.8	165.5	-76.3	-172	154.5	0	0	108.4
850	G	25.6	Very low	28.4	Very low	80 Å²	80	159 Å²	159	83%	0.825	86%	0.862	S	S	*	*			trans	164.2	50.9	-162.2	0	0	0	0	0	112.6
851	R	26.8	Very low	27.4	Very low	326 Å²	326	159.7 Å²	159.7	100%	1.23	88%	0.881	S	S	*	*			trans	-136	0	167.4	-94.5	-168.7	172.8	-168.8	-1	108.9

Retrieved 851 of 851 residues in 1919.6 ms (Link to these results)

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