A0A5K4F610_SCHMA Loading...

SERPIN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F610, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 392 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.7	Low	86.4	Confident	118 Å²	118	43.4 Å²	43.4	58%	0.581	21%	0.211	S	C	*	.				0	115.4	0	-66.5	-170	-47.7	0	0	108	A3 L4 E73 L77	M1-A3 VanDerWaalsContact C-N 3.34Å; M1-L4 HydrophobicContact CB-CB 4.19Å; M1-L4 HydrophobicContact CE-CB 4.31Å; M1-L4 HydrophobicContact CE-CD2 4.37Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-E73 WeakPolarHBondContact CA-OE2 3.25Å; M1-E73 WeakPolarHBondContact CB-OE2 3.35Å; M1-L77 HydrophobicContact CE-CD2 3.86Å
2	E	76.9	Confident	86.7	Confident	74 Å²	74	41.4 Å²	41.4	35%	0.346	20%	0.203	S	C	.	.	H	α-helix	trans	-75.2	-29.3	-177.1	-163.6	162.3	-177.3	0	0	111.3	L4 K5 S6 S62 L65 E73	E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.17Å; E2-K5 PolarHBondContact O-N 2.75Å; E2-S6 WeakPolarHBondContact O-CB 3.27Å; E2-S6 PolarHBondContact O-N 2.81Å; E2-S6 PolarHBondContact O-OG 3.18Å; E2-S62 WeakPolarHBondContact OE1-CB 3.49Å; E2-S62 PolarHBondContact OE1-OG 3.28Å; E2-L65 HydrophobicContact CB-CD1 4.08Å; E2-L65 HydrophobicContact CB-CD2 4.36Å; E2-L65 HydrophobicContact CG-CD1 3.6Å; E2-L65 HydrophobicContact CG-CG 4.39Å; E2-L65 WeakPolarHBondContact OE1-CD1 3.2Å; E2-L65 WeakPolarHBondContact OE2-CD1 3.47Å; E2-L65 WeakPolarHBondContact OE2-CD2 3.49Å; E2-L65 VanDerWaalsContact OE2-CG 3.22Å; E2-L65 WeakPolarHBondContact OE2-CG 3.47Å; E2-E73 PolarHBondContact N-OE2 3.42Å
3	A	83.4	Confident	87	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-36.8	171	0	0	0	0	0	112.5	M1 S6 L7 E73 L77	M1-A3 VanDerWaalsContact C-N 3.34Å; A3-S6 VanDerWaalsContact C-OG 3.25Å; A3-S6 WeakPolarHBondContact CA-OG 3.21Å; A3-S6 PolarHBondContact O-OG 3.16Å; A3-L7 WeakPolarHBondContact O-CB 2.86Å; A3-L7 PolarHBondContact O-N 3.04Å; A3-E73 HydrophobicContact CB-CB 3.52Å; A3-E73 HydrophobicContact CB-CG 4.41Å; A3-E73 WeakPolarHBondContact CB-OE2 3.44Å; A3-E73 PolarHBondContact N-OE2 3.12Å; A3-L77 HydrophobicContact CB-CD1 4.31Å
4	L	87	Confident	87.4	Confident	53 Å²	53	42 Å²	42	28%	0.277	20%	0.198	S	C	.	.	H	α-helix	trans	-68.6	-41.6	178.7	-177.9	64.1	0	0	0	111.8	M1 E2 T8 L77 L379	M1-L4 HydrophobicContact CB-CB 4.19Å; M1-L4 HydrophobicContact CE-CB 4.31Å; M1-L4 HydrophobicContact CE-CD2 4.37Å; M1-L4 PolarHBondContact O-N 3.15Å; E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.17Å; L4-T8 PolarHBondContact O-N 2.86Å; L4-T8 PolarHBondContact O-OG1 3.2Å; L4-L77 HydrophobicContact CD1-CD2 4.41Å; L4-L379 HydrophobicContact CD1-CB 4.37Å; L4-L379 HydrophobicContact CD1-CD1 3.84Å; L4-L379 HydrophobicContact CD1-CD2 3.84Å; L4-L379 HydrophobicContact CD1-CG 4.23Å
5	K	88.7	Confident	87.6	Confident	147 Å²	147	40.1 Å²	40.1	64%	0.639	19%	0.188	S	C	*	.	H	α-helix	trans	-68.5	-46.6	178.4	-175.2	-178.3	177.6	-173.9	0	111.1	E2 T8 N9	E2-K5 PolarHBondContact O-N 2.75Å; K5-T8 PolarHBondContact O-N 3.13Å; K5-N9 PolarHBondContact O-N 3.35Å; K5-N9 PolarHBondContact O-ND2 3.03Å
6	S	91.4	Very high	87.7	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-44.7	175.8	49.1	0	0	0	0	111.5	E2 A3 T8 N9 F10 Y37 M59 Q60	E2-S6 WeakPolarHBondContact O-CB 3.27Å; E2-S6 PolarHBondContact O-N 2.81Å; E2-S6 PolarHBondContact O-OG 3.18Å; A3-S6 VanDerWaalsContact C-OG 3.25Å; A3-S6 WeakPolarHBondContact CA-OG 3.21Å; A3-S6 PolarHBondContact O-OG 3.16Å; S6-T8 PolarHBondContact O-N 3.21Å; S6-N9 PolarHBondContact O-N 2.93Å; S6-F10 VanDerWaalsContact O-CB 3.3Å; S6-F10 WeakPolarHBondContact O-CB 3.15Å; S6-F10 PolarHBondContact O-N 3.13Å; S6-Y37 PolarHBondContact OG-OH 3Å; S6-M59 WeakPolarHBondContact CB-O 3.47Å; S6-Q60 WeakPolarHBondContact CB-O 3.48Å
7	L	92.5	Very high	87.9	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-42.1	174.1	171.8	59.5	0	0	0	112.9	A3 F10 T11 F34 Y37 L379	A3-L7 WeakPolarHBondContact O-CB 2.86Å; A3-L7 PolarHBondContact O-N 3.04Å; L7-F10 PolarHBondContact O-N 2.91Å; L7-T11 VanDerWaalsContact O-CB 3.27Å; L7-T11 WeakPolarHBondContact O-CB 3.18Å; L7-T11 PolarHBondContact O-N 3.17Å; L7-T11 PolarHBondContact O-OG1 3.22Å; L7-F34 HydrophobicContact CD2-CD2 3.65Å; L7-F34 HydrophobicContact CD2-CE2 4.07Å; L7-Y37 HydrophobicContact CB-CD1 4.3Å; L7-Y37 HydrophobicContact CB-CE1 4.24Å; L7-Y37 HydrophobicContact CB-CE2 4.44Å; L7-Y37 HydrophobicContact CB-CG 4.43Å; L7-Y37 VanDerWaalsContact CD1-CB 3.48Å; L7-Y37 HydrophobicContact CD1-CD1 3.98Å; L7-Y37 HydrophobicContact CD1-CD2 3.96Å; L7-Y37 HydrophobicContact CD1-CG 3.55Å; L7-L379 HydrophobicContact CD2-CD1 3.86Å; L7-L379 HydrophobicContact CD2-CD2 3.81Å; L7-L379 HydrophobicContact CD2-CG 4.38Å; L7-L379 HydrophobicContact CG-CD1 4.05Å
8	T	91.3	Very high	88	Confident	26 Å²	26	39.1 Å²	39.1	16%	0.16	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-46.2	177.3	-56.2	0	0	0	0	110.7	L4 K5 S6 T11 D12	L4-T8 PolarHBondContact O-N 2.86Å; L4-T8 PolarHBondContact O-OG1 3.2Å; K5-T8 PolarHBondContact O-N 3.13Å; S6-T8 PolarHBondContact O-N 3.21Å; T8-T11 WeakPolarHBondContact O-CB 3.21Å; T8-T11 PolarHBondContact O-N 3.5Å; T8-D12 PolarHBondContact O-N 3.18Å; T8-D12 VanDerWaalsContact O-N 3.08Å
9	N	91.3	Very high	88	Confident	52 Å²	52	37.4 Å²	37.4	28%	0.278	18%	0.177	S	C	.	.	H	α-helix	trans	-64.5	-41.9	177.1	-69.9	-22.5	0	0	0	112.4	K5 S6 T11 D12 R13 Q60	K5-N9 PolarHBondContact O-N 3.35Å; K5-N9 PolarHBondContact O-ND2 3.03Å; S6-N9 PolarHBondContact O-N 2.93Å; N9-T11 VanDerWaalsContact C-N 3.33Å; N9-D12 PolarHBondContact O-N 3.22Å; N9-R13 WeakPolarHBondContact O-CB 3.24Å; N9-R13 PolarHBondContact O-N 3.23Å; N9-Q60 HydrophobicContact CB-CB 4.02Å; N9-Q60 HydrophobicContact CB-CG 4.01Å
10	F	93.1	Very high	88	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-45.8	174.3	170.6	-96.5	0	0	0	110.6	S6 L7 D12 R13 F14 I36 Y37 L40 L293	S6-F10 VanDerWaalsContact O-CB 3.3Å; S6-F10 WeakPolarHBondContact O-CB 3.15Å; S6-F10 PolarHBondContact O-N 3.13Å; L7-F10 PolarHBondContact O-N 2.91Å; F10-D12 PolarHBondContact O-N 3.31Å; F10-R13 PolarHBondContact O-N 3.12Å; F10-F14 HydrophobicContact CE1-CB 4.15Å; F10-F14 HydrophobicContact CE1-CG 4.31Å; F10-F14 HydrophobicContact CE2-CB 4.28Å; F10-F14 HydrophobicContact CZ-CB 4.02Å; F10-F14 HydrophobicContact CZ-CD2 4.14Å; F10-F14 HydrophobicContact CZ-CG 4.01Å; F10-F14 WeakPolarHBondContact O-CB 3.33Å; F10-F14 PolarHBondContact O-N 3.46Å; F10-I36 HydrophobicContact CE1-CG2 4.19Å; F10-I36 HydrophobicContact CZ-CG2 3.93Å; F10-Y37 HydrophobicContact CB-CD2 3.94Å; F10-Y37 HydrophobicContact CB-CE2 4.07Å; F10-Y37 AromaticContact CD1-CD2 3.63Å; F10-Y37 HydrophobicContact CD1-CD2 3.63Å; F10-Y37 HydrophobicContact CD1-CG 4.36Å; F10-Y37 HydrophobicContact CD2-CD2 4.35Å; F10-Y37 HydrophobicContact CE1-CD2 4.24Å; F10-Y37 AromaticContact CG-CD2 3.69Å; F10-Y37 HydrophobicContact CG-CD2 3.69Å; F10-Y37 HydrophobicContact CG-CE2 4.23Å; F10-L40 HydrophobicContact CE2-CD1 3.55Å; F10-L40 HydrophobicContact CZ-CD1 3.58Å; F10-L293 HydrophobicContact CD2-CD1 4.38Å; F10-L293 HydrophobicContact CE2-CD1 3.73Å
11	T	92.9	Very high	87.8	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-57.3	-48.7	179.4	-64.7	0	0	0	0	111.5	L7 T8 N9 Y15 P33 P380 L383	L7-T11 VanDerWaalsContact O-CB 3.27Å; L7-T11 WeakPolarHBondContact O-CB 3.18Å; L7-T11 PolarHBondContact O-N 3.17Å; L7-T11 PolarHBondContact O-OG1 3.22Å; T8-T11 WeakPolarHBondContact O-CB 3.21Å; T8-T11 PolarHBondContact O-N 3.5Å; N9-T11 VanDerWaalsContact C-N 3.33Å; T11-Y15 WeakPolarHBondContact O-CB 3.46Å; T11-Y15 PolarHBondContact O-N 3.34Å; T11-P33 HydrophobicContact CG2-CB 3.77Å; T11-P33 HydrophobicContact CG2-CG 3.73Å; T11-P33 WeakPolarHBondContact OG1-CB 3.13Å; T11-P380 HydrophobicContact CG2-CB 4.42Å; T11-P380 HydrophobicContact CG2-CG 4.47Å; T11-L383 HydrophobicContact CG2-CD2 3.51Å
12	D	90.3	Very high	88.7	Confident	20 Å²	20	35.4 Å²	35.4	11%	0.107	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-49.3	178.2	-76	-37.5	0	0	0	111.5	T8 N9 F10 E16 R255 I256 S257	T8-D12 PolarHBondContact O-N 3.18Å; T8-D12 VanDerWaalsContact O-N 3.08Å; N9-D12 PolarHBondContact O-N 3.22Å; F10-D12 PolarHBondContact O-N 3.31Å; D12-E16 WeakPolarHBondContact O-CB 3.46Å; D12-E16 PolarHBondContact O-N 3.17Å; D12-R255 HydrophobicContact CB-CG 4.15Å; D12-R255 WeakPolarHBondContact OD2-CB 3.37Å; D12-R255 WeakPolarHBondContact OD2-CD 3.29Å; D12-I256 WeakPolarHBondContact OD1-CG2 3.37Å; D12-I256 PolarHBondContact OD1-N 2.8Å; D12-S257 PolarHBondContact OD2-OG 2.9Å
13	R	90.9	Very high	88.7	Confident	91 Å²	91	39.7 Å²	39.7	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-68.2	-38.1	-178.1	-172.5	178	177.8	-162.5	-7.6	112.9	N9 F10 L17 L293	N9-R13 WeakPolarHBondContact O-CB 3.24Å; N9-R13 PolarHBondContact O-N 3.23Å; F10-R13 PolarHBondContact O-N 3.12Å; R13-L17 PolarHBondContact O-N 3.15Å; R13-L17 VanDerWaalsContact O-N 3.15Å; R13-L293 HydrophobicContact CG-CD2 3.91Å
14	F	92.5	Very high	88.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.6	-42.7	179.7	179.9	-105.4	0	0	0	110.9	F10 E16 L17 I18 L31 I36 L286 H289 L293	F10-F14 HydrophobicContact CE1-CB 4.15Å; F10-F14 HydrophobicContact CE1-CG 4.31Å; F10-F14 HydrophobicContact CE2-CB 4.28Å; F10-F14 HydrophobicContact CZ-CB 4.02Å; F10-F14 HydrophobicContact CZ-CD2 4.14Å; F10-F14 HydrophobicContact CZ-CG 4.01Å; F10-F14 WeakPolarHBondContact O-CB 3.33Å; F10-F14 PolarHBondContact O-N 3.46Å; F14-E16 VanDerWaalsContact C-N 3.34Å; F14-E16 PolarHBondContact O-N 2.78Å; F14-L17 WeakPolarHBondContact O-CB 3.44Å; F14-L17 PolarHBondContact O-N 3.14Å; F14-I18 HydrophobicContact CD1-CG1 4.36Å; F14-I18 HydrophobicContact CE1-CD1 4.23Å; F14-I18 HydrophobicContact CE1-CG1 3.97Å; F14-I18 HydrophobicContact CE2-CD1 4.44Å; F14-I18 HydrophobicContact CZ-CD1 3.9Å; F14-I18 HydrophobicContact CZ-CG1 4.06Å; F14-I18 WeakPolarHBondContact O-CG1 3.35Å; F14-I18 PolarHBondContact O-N 3.34Å; F14-I18 VanDerWaalsContact O-N 3.08Å; F14-L31 HydrophobicContact CD1-CD1 4.43Å; F14-L31 HydrophobicContact CE1-CD1 4.13Å; F14-L31 HydrophobicContact CE1-CD2 4.03Å; F14-I36 HydrophobicContact CD1-CD1 4.35Å; F14-I36 HydrophobicContact CE1-CD1 3.46Å; F14-I36 VanDerWaalsContact CE1-CD1 3.46Å; F14-I36 HydrophobicContact CZ-CD1 3.79Å; F14-L286 HydrophobicContact CE2-CD2 4.44Å; F14-L286 HydrophobicContact CZ-CD1 4.39Å; F14-L286 HydrophobicContact CZ-CD2 3.82Å; F14-H289 HydrophobicContact CE2-CB 4.19Å; F14-L293 HydrophobicContact CB-CD1 4.45Å; F14-L293 HydrophobicContact CD2-CD1 3.87Å
15	Y	90.8	Very high	87.8	Confident	13 Å²	13	46.9 Å²	46.9	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-68.3	-35.7	177.3	-170.4	-125.5	0	0	0	112.6	T11 L17 I18 I19 L247 F370 L383 H385	T11-Y15 WeakPolarHBondContact O-CB 3.46Å; T11-Y15 PolarHBondContact O-N 3.34Å; Y15-L17 VanDerWaalsContact C-N 3.28Å; Y15-L17 PolarHBondContact O-N 3.43Å; Y15-I18 HydrophobicContact CD2-CB 4.41Å; Y15-I18 PolarHBondContact O-N 3.45Å; Y15-I19 HydrophobicContact CD1-CD1 3.66Å; Y15-I19 HydrophobicContact CD1-CG1 4.4Å; Y15-I19 HydrophobicContact CE1-CD1 3.48Å; Y15-I19 VanDerWaalsContact CE1-CD1 3.48Å; Y15-I19 HydrophobicContact CE1-CG1 4.14Å; Y15-I19 HydrophobicContact CE2-CG1 4.38Å; Y15-I19 HydrophobicContact CG-CD1 4.29Å; Y15-I19 WeakPolarHBondContact O-CG1 3.36Å; Y15-I19 PolarHBondContact O-N 2.8Å; Y15-L247 HydrophobicContact CE1-CD2 4.31Å; Y15-F370 HydrophobicContact CD1-CE2 4.37Å; Y15-F370 HydrophobicContact CE1-CD2 4.03Å; Y15-F370 AromaticContact CE1-CE2 3.45Å; Y15-F370 HydrophobicContact CE1-CE2 3.45Å; Y15-F370 VanDerWaalsContact CE1-CE2 3.45Å; Y15-F370 HydrophobicContact CE1-CZ 4.48Å; Y15-F370 AromaticContact CZ-CE2 3.73Å; Y15-L383 HydrophobicContact CD1-CD1 3.99Å; Y15-L383 HydrophobicContact CD2-CD1 3.09Å; Y15-L383 HydrophobicContact CD2-CG 4.49Å; Y15-L383 HydrophobicContact CE1-CD1 4.27Å; Y15-L383 HydrophobicContact CE2-CD1 3.43Å; Y15-L383 VanDerWaalsContact CE2-CD1 3.43Å; Y15-L383 HydrophobicContact CG-CD1 3.39Å; Y15-L383 HydrophobicContact CG-CD2 4.28Å; Y15-L383 HydrophobicContact CG-CG 4.5Å; Y15-H385 AromaticContact CZ-ND1 3.99Å; Y15-H385 PolarHBondContact OH-ND1 3.31Å
16	E	89.1	Confident	87.5	Confident	64 Å²	64	42.1 Å²	42.1	30%	0.299	22%	0.215	S	C	.	.	H	α-helix	trans	-54	-46.2	168.9	173.5	-173.3	156.6	0	0	111.6	D12 F14 I18 I19 N20 Y251	D12-E16 WeakPolarHBondContact O-CB 3.46Å; D12-E16 PolarHBondContact O-N 3.17Å; F14-E16 VanDerWaalsContact C-N 3.34Å; F14-E16 PolarHBondContact O-N 2.78Å; E16-I18 PolarHBondContact O-N 2.96Å; E16-I19 PolarHBondContact O-N 2.88Å; E16-N20 PolarHBondContact O-N 3.17Å; E16-N20 PolarHBondContact O-ND2 2.85Å; E16-Y251 HydrophobicContact CB-CD2 4.45Å; E16-Y251 HydrophobicContact CG-CD2 3.5Å; E16-Y251 VanDerWaalsContact CG-CD2 3.5Å; E16-Y251 HydrophobicContact CG-CE2 3.79Å; E16-Y251 HydrophobicContact CG-CG 4.43Å; E16-Y251 WeakPolarHBondContact OE1-CE2 3.34Å
17	L	90.7	Very high	87.2	Confident	24 Å²	24	47.1 Å²	47.1	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-46.7	177.8	-179.2	69.7	0	0	0	111.7	R13 F14 Y15 I19 N20 E21 H289 K292 L293	R13-L17 PolarHBondContact O-N 3.15Å; R13-L17 VanDerWaalsContact O-N 3.15Å; F14-L17 WeakPolarHBondContact O-CB 3.44Å; F14-L17 PolarHBondContact O-N 3.14Å; Y15-L17 VanDerWaalsContact C-N 3.28Å; Y15-L17 PolarHBondContact O-N 3.43Å; L17-I19 VanDerWaalsContact C-N 3.31Å; L17-I19 PolarHBondContact O-N 3.38Å; L17-N20 PolarHBondContact O-N 2.96Å; L17-E21 WeakPolarHBondContact O-CG 3.38Å; L17-E21 PolarHBondContact O-N 3.28Å; L17-E21 VanDerWaalsContact O-N 3.09Å; L17-H289 HydrophobicContact CD2-CB 3.86Å; L17-H289 WeakPolarHBondContact CD2-O 3.35Å; L17-K292 HydrophobicContact CD1-CB 3.78Å; L17-K292 HydrophobicContact CD1-CD 3.81Å; L17-K292 HydrophobicContact CD1-CG 4.46Å; L17-K292 HydrophobicContact CD2-CB 4.11Å; L17-L293 HydrophobicContact CD2-CD2 4.13Å; L17-L293 HydrophobicContact CD2-CG 3.99Å
18	I	89.7	Confident	87	Confident	14 Å²	14	49.6 Å²	49.6	7%	0.072	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-42.4	178.5	-63.5	-73.8	0	0	0	111.1	F14 Y15 E16 E21 S22 T29 L31 H289	F14-I18 HydrophobicContact CD1-CG1 4.36Å; F14-I18 HydrophobicContact CE1-CD1 4.23Å; F14-I18 HydrophobicContact CE1-CG1 3.97Å; F14-I18 HydrophobicContact CE2-CD1 4.44Å; F14-I18 HydrophobicContact CZ-CD1 3.9Å; F14-I18 HydrophobicContact CZ-CG1 4.06Å; F14-I18 WeakPolarHBondContact O-CG1 3.35Å; F14-I18 PolarHBondContact O-N 3.34Å; F14-I18 VanDerWaalsContact O-N 3.08Å; Y15-I18 HydrophobicContact CD2-CB 4.41Å; Y15-I18 PolarHBondContact O-N 3.45Å; E16-I18 PolarHBondContact O-N 2.96Å; I18-E21 PolarHBondContact O-N 2.7Å; I18-S22 PolarHBondContact O-N 3.15Å; I18-T29 HydrophobicContact CG2-CG2 3.97Å; I18-L31 HydrophobicContact CD1-CD2 4.22Å; I18-L31 HydrophobicContact CG1-CD2 3.97Å; I18-L31 HydrophobicContact CG2-CD2 4.26Å; I18-H289 VanDerWaalsContact CD1-CD2 3.42Å; I18-H289 WeakPolarHBondContact CD1-CD2 3.4Å
19	I	88	Confident	86.9	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-46	176.7	-70.3	165.2	0	0	0	110.9	Y15 E16 L17 E21 S22 W26 L247	Y15-I19 HydrophobicContact CD1-CD1 3.66Å; Y15-I19 HydrophobicContact CD1-CG1 4.4Å; Y15-I19 HydrophobicContact CE1-CD1 3.48Å; Y15-I19 VanDerWaalsContact CE1-CD1 3.48Å; Y15-I19 HydrophobicContact CE1-CG1 4.14Å; Y15-I19 HydrophobicContact CE2-CG1 4.38Å; Y15-I19 HydrophobicContact CG-CD1 4.29Å; Y15-I19 WeakPolarHBondContact O-CG1 3.36Å; Y15-I19 PolarHBondContact O-N 2.8Å; E16-I19 PolarHBondContact O-N 2.88Å; L17-I19 VanDerWaalsContact C-N 3.31Å; L17-I19 PolarHBondContact O-N 3.38Å; I19-E21 VanDerWaalsContact C-N 3.27Å; I19-E21 PolarHBondContact O-N 3.37Å; I19-S22 WeakPolarHBondContact O-CB 3.47Å; I19-S22 PolarHBondContact O-N 2.97Å; I19-S22 PolarHBondContact O-OG 3.37Å; I19-W26 HydrophobicContact CG2-CH2 3.82Å; I19-W26 HydrophobicContact CG2-CZ3 4.09Å; I19-L247 HydrophobicContact CD1-CB 4.17Å; I19-L247 HydrophobicContact CD1-CD2 4.24Å; I19-L247 HydrophobicContact CG2-CB 4.38Å
20	N	87.3	Confident	86.8	Confident	78 Å²	78	48.1 Å²	48.1	42%	0.417	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-32.6	-179	-74.1	-28.9	0	0	0	112.7	E16 L17 S22	E16-N20 PolarHBondContact O-N 3.17Å; E16-N20 PolarHBondContact O-ND2 2.85Å; L17-N20 PolarHBondContact O-N 2.96Å; N20-S22 VanDerWaalsContact C-N 3.31Å
21	E	85.1	Confident	86.8	Confident	48 Å²	48	48 Å²	48	22%	0.224	24%	0.242	C	C	.	.	H	α-helix	trans	-76	-15.7	178.3	-69.9	-166.3	-157.7	0	0	114.3	L17 I18 I19 H23 H289 K292	L17-E21 WeakPolarHBondContact O-CG 3.38Å; L17-E21 PolarHBondContact O-N 3.28Å; L17-E21 VanDerWaalsContact O-N 3.09Å; I18-E21 PolarHBondContact O-N 2.7Å; I19-E21 VanDerWaalsContact C-N 3.27Å; I19-E21 PolarHBondContact O-N 3.37Å; E21-H23 PolarHBondContact O-CD2 3.29Å; E21-H23 PolarHBondContact O-N 2.7Å; E21-H23 VanDerWaalsContact O-N 3.16Å; E21-H289 IonicContact OE1-CD2 3.61Å; E21-H289 PolarHBondContact OE1-CD2 3.48Å; E21-H289 VanDerWaalsContact OE1-CD2 3.28Å; E21-H289 IonicContact OE1-CG 3.7Å; E21-H289 IonicContact OE1-NE2 2.61Å; E21-H289 IonicContact OE2-CD2 2.81Å; E21-H289 PolarHBondContact OE2-CD2 3.46Å; E21-H289 IonicContact OE2-CE1 2.94Å; E21-H289 IonicContact OE2-NE2 2.73Å; E21-H289 PolarHBondContact OE2-NE2 2.94Å; E21-K292 WeakPolarHBondContact OE1-CD 3.42Å; E21-K292 WeakPolarHBondContact OE1-CE 3.13Å; E21-K292 IonicContact OE1-NZ 2.8Å; E21-K292 PolarHBondContact OE1-NZ 2.93Å; E21-K292 IonicContact OE2-NZ 2.96Å; E21-K292 PolarHBondContact OE2-NZ 3.02Å; E21-K292 VanDerWaalsContact OE2-NZ 3.16Å
22	S	80.5	Confident	87	Confident	25 Å²	25	48 Å²	48	18%	0.175	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.1	174.9	70.4	0	0	0	0	112.6	I18 I19 N20 G24 Q25 W26	I18-S22 PolarHBondContact O-N 3.15Å; I19-S22 WeakPolarHBondContact O-CB 3.47Å; I19-S22 PolarHBondContact O-N 2.97Å; I19-S22 PolarHBondContact O-OG 3.37Å; N20-S22 VanDerWaalsContact C-N 3.31Å; S22-G24 PolarHBondContact O-N 2.69Å; S22-Q25 WeakPolarHBondContact O-CA 3.37Å; S22-Q25 WeakPolarHBondContact O-CB 3.32Å; S22-Q25 PolarHBondContact O-N 3.02Å; S22-W26 WeakPolarHBondContact OG-CZ3 3.45Å
23	H	77	Confident	87.2	Confident	164 Å²	164	47 Å²	47	76%	0.759	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.3	30.1	-179	-63.7	-64.7	0	0	0	114.1	E21 Q25	E21-H23 PolarHBondContact O-CD2 3.29Å; E21-H23 PolarHBondContact O-N 2.7Å; E21-H23 VanDerWaalsContact O-N 3.16Å; H23-Q25 VanDerWaalsContact C-N 3.29Å; H23-Q25 PolarHBondContact O-N 3Å
24	G	72.9	Confident	87.4	Confident	50 Å²	50	42.8 Å²	42.8	52%	0.515	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-1.4	-176.6	0	0	0	0	0	115.4	S22 W26	S22-G24 PolarHBondContact O-N 2.69Å; G24-W26 PolarHBondContact O-N 2.82Å
25	Q	78.1	Confident	87.5	Confident	154 Å²	154	42.8 Å²	42.8	72%	0.72	22%	0.22	S	C	*	.			trans	-87.5	93.1	167.8	-62.6	-174	-6.2	0	0	109.1	S22 H23 E27	S22-Q25 WeakPolarHBondContact O-CA 3.37Å; S22-Q25 WeakPolarHBondContact O-CB 3.32Å; S22-Q25 PolarHBondContact O-N 3.02Å; H23-Q25 VanDerWaalsContact C-N 3.29Å; H23-Q25 PolarHBondContact O-N 3Å; Q25-E27 PolarHBondContact O-N 2.68Å
26	W	81.9	Confident	87.8	Confident	47 Å²	47	42.2 Å²	42.2	18%	0.178	22%	0.218	C	C	.	.			trans	-88.4	97.5	-174.8	-58.5	102.9	0	0	0	111.7	I19 S22 G24 L192 P244 L247 H385 T387	I19-W26 HydrophobicContact CG2-CH2 3.82Å; I19-W26 HydrophobicContact CG2-CZ3 4.09Å; S22-W26 WeakPolarHBondContact OG-CZ3 3.45Å; G24-W26 PolarHBondContact O-N 2.82Å; W26-L192 HydrophobicContact CB-CD1 3.57Å; W26-L192 HydrophobicContact CG-CD1 3.94Å; W26-P244 HydrophobicContact CZ2-CB 3.81Å; W26-P244 HydrophobicContact CZ2-CG 4.37Å; W26-L247 HydrophobicContact CE3-CD1 3.87Å; W26-L247 HydrophobicContact CH2-CB 4.38Å; W26-L247 HydrophobicContact CH2-CD1 3.93Å; W26-L247 HydrophobicContact CZ3-CD1 3.36Å; W26-H385 AromaticContact CE3-NE2 3.83Å; W26-T387 HydrophobicContact CB-CG2 3.71Å; W26-T387 PolarHBondContact O-OG1 2.69Å; W26-T387 VanDerWaalsContact O-OG1 3.08Å
27	E	85.3	Confident	88.1	Confident	107 Å²	107	39.2 Å²	39.2	50%	0.5	20%	0.204	S	C	.	.			trans	-93.3	160.6	168	-65.5	-178	176.7	0	0	110.8	Q25 T29 H385	Q25-E27 PolarHBondContact O-N 2.68Å; E27-T29 PolarHBondContact O-N 3.17Å; E27-T29 VanDerWaalsContact O-N 3.14Å; E27-T29 PolarHBondContact O-OG1 2.83Å; E27-H385 PolarHBondContact O-CD2 3.24Å; E27-H385 PolarHBondContact O-NE2 3.18Å
28	N	88.6	Confident	88.4	Confident	55 Å²	55	38.2 Å²	38.2	29%	0.294	20%	0.199	S	C	.	.			trans	-56.5	122.7	168.8	-74.5	-13.3	0	0	0	109.6	V386 T387 S388	N28-V386 WeakPolarHBondContact OD1-CA 3.37Å; N28-T387 PolarHBondContact N-OG1 2.8Å; N28-T387 PolarHBondContact OD1-N 3.41Å; N28-T387 PolarHBondContact OD1-OG1 2.82Å; N28-S388 PolarHBondContact ND2-O 3.28Å; N28-S388 PolarHBondContact OD1-N 3.08Å; N28-S388 VanDerWaalsContact OD1-N 3.15Å; N28-S388 PolarHBondContact OD1-O 2.88Å
29	T	89.1	Confident	88.8	Confident	27 Å²	27	37.5 Å²	37.5	17%	0.166	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.9	177	-61	0	0	0	0	108.5	I18 E27 L31 G384 H385	I18-T29 HydrophobicContact CG2-CG2 3.97Å; E27-T29 PolarHBondContact O-N 3.17Å; E27-T29 VanDerWaalsContact O-N 3.14Å; E27-T29 PolarHBondContact O-OG1 2.83Å; T29-L31 HydrophobicContact CG2-CD2 4.13Å; T29-G384 CarbonylContact O-C 3.6Å; T29-G384 WeakPolarHBondContact O-CA 3.3Å; T29-H385 VanDerWaalsContact CB-CE1 3.41Å; T29-H385 WeakPolarHBondContact CB-CE1 3.47Å; T29-H385 PolarHBondContact N-O 2.72Å; T29-H385 PolarHBondContact O-N 3.46Å; T29-H385 PolarHBondContact OG1-CE1 3.41Å; T29-H385 VanDerWaalsContact OG1-CE1 3.24Å; T29-H385 PolarHBondContact OG1-NE2 2.85Å
30	F	90.3	Very high	89.2	Confident	19 Å²	19	37.2 Å²	37.2	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	124.2	171.7	-167.1	-109	0	0	0	109.8	L278 A324 F326 I371 I373 F382	F30-L278 HydrophobicContact CB-CB 4.28Å; F30-L278 HydrophobicContact CB-CD1 3.87Å; F30-L278 HydrophobicContact CD1-CB 4.29Å; F30-L278 HydrophobicContact CD1-CD1 4.24Å; F30-L278 HydrophobicContact CD2-CD1 3.45Å; F30-L278 VanDerWaalsContact CD2-CD1 3.45Å; F30-L278 HydrophobicContact CE2-CD1 3.99Å; F30-L278 HydrophobicContact CG-CB 4.25Å; F30-L278 HydrophobicContact CG-CD1 3.58Å; F30-A324 HydrophobicContact CD1-CB 3.83Å; F30-A324 HydrophobicContact CE1-CB 4.15Å; F30-F326 HydrophobicContact CD1-CB 4.1Å; F30-F326 HydrophobicContact CE1-CB 3.34Å; F30-F326 HydrophobicContact CE1-CG 4.46Å; F30-F326 HydrophobicContact CE2-CB 4.31Å; F30-F326 HydrophobicContact CZ-CB 3.44Å; F30-F326 VanDerWaalsContact CZ-CB 3.44Å; F30-F326 HydrophobicContact CZ-CG 4.12Å; F30-I371 HydrophobicContact CD2-CG2 4.19Å; F30-I371 HydrophobicContact CE2-CG2 4.31Å; F30-I373 HydrophobicContact CZ-CD1 4.19Å; F30-F382 HydrophobicContact CD1-CD1 4.44Å; F30-F382 HydrophobicContact CE1-CB 4.08Å; F30-F382 AromaticContact CE1-CD1 3.48Å; F30-F382 HydrophobicContact CE1-CD1 3.48Å; F30-F382 VanDerWaalsContact CE1-CD1 3.48Å; F30-F382 HydrophobicContact CE1-CE1 4.23Å; F30-F382 HydrophobicContact CE1-CG 4.09Å; F30-F382 HydrophobicContact CE2-CB 3.83Å; F30-F382 HydrophobicContact CZ-CB 3.37Å; F30-F382 AromaticContact CZ-CD1 3.67Å; F30-F382 HydrophobicContact CZ-CD1 3.67Å; F30-F382 AromaticContact CZ-CG 3.78Å; F30-F382 HydrophobicContact CZ-CG 3.78Å
31	L	93.1	Very high	89.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	164.3	-175	58.3	79.8	0	0	0	111.2	F14 I18 T29 P33 I36 L284 H322 F382 L383	F14-L31 HydrophobicContact CD1-CD1 4.43Å; F14-L31 HydrophobicContact CE1-CD1 4.13Å; F14-L31 HydrophobicContact CE1-CD2 4.03Å; I18-L31 HydrophobicContact CD1-CD2 4.22Å; I18-L31 HydrophobicContact CG1-CD2 3.97Å; I18-L31 HydrophobicContact CG2-CD2 4.26Å; T29-L31 HydrophobicContact CG2-CD2 4.13Å; L31-P33 HydrophobicContact CD1-CG 3.51Å; L31-I36 HydrophobicContact CD1-CD1 4.5Å; L31-L284 HydrophobicContact CB-CD1 4.05Å; L31-L284 HydrophobicContact CD2-CD1 3.74Å; L31-H322 VanDerWaalsContact CA-NE2 3.35Å; L31-H322 WeakPolarHBondContact CA-NE2 3.18Å; L31-H322 WeakPolarHBondContact CB-NE2 3.32Å; L31-F382 VanDerWaalsContact O-CA 3.31Å; L31-F382 WeakPolarHBondContact O-CA 3.49Å; L31-L383 HydrophobicContact CD1-CD1 3.63Å; L31-L383 HydrophobicContact CD1-CG 4.3Å; L31-L383 HydrophobicContact CG-CD1 4.23Å; L31-L383 PolarHBondContact N-O 3.41Å; L31-L383 PolarHBondContact O-N 2.97Å
32	S	95.2	Very high	90.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.			trans	-114.6	95.2	175.2	-178.3	0	0	0	0	110.5	F34 N35 I36 H322 I381	S32-F34 PolarHBondContact O-N 2.81Å; S32-N35 PolarHBondContact O-N 2.86Å; S32-N35 PolarHBondContact OG-N 2.84Å; S32-I36 VanDerWaalsContact O-CG1 3.28Å; S32-I36 WeakPolarHBondContact O-CG1 3.2Å; S32-I36 PolarHBondContact O-N 3.46Å; S32-H322 PolarHBondContact N-CE1 2.83Å; S32-H322 PolarHBondContact N-NE2 2.84Å; S32-I381 WeakPolarHBondContact CA-O 3.26Å; S32-I381 WeakPolarHBondContact CB-O 3.4Å; S32-I381 PolarHBondContact OG-O 3.17Å
33	P	94.6	Very high	90.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-33.7	174.5	-19.6	33.4	0	0	0	111.3	T11 L31 I36 Y37 I381 L383	T11-P33 HydrophobicContact CG2-CB 3.77Å; T11-P33 HydrophobicContact CG2-CG 3.73Å; T11-P33 WeakPolarHBondContact OG1-CB 3.13Å; L31-P33 HydrophobicContact CD1-CG 3.51Å; P33-I36 PolarHBondContact O-N 3.41Å; P33-Y37 VanDerWaalsContact O-CB 3.25Å; P33-Y37 WeakPolarHBondContact O-CB 3.04Å; P33-Y37 PolarHBondContact O-N 3.02Å; P33-I381 WeakPolarHBondContact CD-O 3.5Å; P33-L383 HydrophobicContact CG-CD1 4.12Å; P33-L383 HydrophobicContact CG-CD2 3.76Å; P33-L383 HydrophobicContact CG-CG 3.68Å
34	F	95.4	Very high	91.8	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-53.6	-54.3	173	-178.6	-87	0	0	0	112	L7 S32 Y37 T38 L77 L78 C81 L92 L379 I381	L7-F34 HydrophobicContact CD2-CD2 3.65Å; L7-F34 HydrophobicContact CD2-CE2 4.07Å; S32-F34 PolarHBondContact O-N 2.81Å; F34-Y37 WeakPolarHBondContact O-CB 3.43Å; F34-Y37 PolarHBondContact O-N 3.33Å; F34-T38 PolarHBondContact O-N 3.48Å; F34-T38 PolarHBondContact O-OG1 2.93Å; F34-T38 VanDerWaalsContact O-OG1 3.06Å; F34-L77 HydrophobicContact CE2-CB 4.05Å; F34-L77 HydrophobicContact CZ-CB 4.07Å; F34-L78 HydrophobicContact CE1-CD1 4.14Å; F34-C81 HydrophobicContact CE1-CB 4.44Å; F34-C81 HydrophobicContact CZ-CB 4.11Å; F34-L92 HydrophobicContact CD1-CD1 4.08Å; F34-L92 HydrophobicContact CE1-CD1 3.64Å; F34-L379 HydrophobicContact CD2-CD2 3.81Å; F34-L379 HydrophobicContact CE2-CD2 3.98Å; F34-I381 HydrophobicContact CB-CB 4.35Å; F34-I381 HydrophobicContact CB-CG2 3.83Å; F34-I381 HydrophobicContact CD1-CG2 4.24Å; F34-I381 HydrophobicContact CG-CG2 4.05Å
35	N	95.5	Very high	92.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-77.5	-28.1	-176.7	-159.9	53.2	0	0	0	113	S32 Y37 T38 A39 L92 N94 A167 T168 T169	S32-N35 PolarHBondContact O-N 2.86Å; S32-N35 PolarHBondContact OG-N 2.84Å; N35-Y37 VanDerWaalsContact C-N 3.31Å; N35-T38 WeakPolarHBondContact O-CB 3.18Å; N35-T38 PolarHBondContact O-N 3.34Å; N35-A39 PolarHBondContact O-N 2.9Å; N35-L92 HydrophobicContact CB-CD2 4.2Å; N35-N94 PolarHBondContact ND2-OD1 2.88Å; N35-N94 PolarHBondContact OD1-ND2 2.97Å; N35-N94 PolarHBondContact OD1-OD1 2.85Å; N35-A167 VanDerWaalsContact ND2-C 3.32Å; N35-A167 WeakPolarHBondContact ND2-CA 3.36Å; N35-T168 PolarHBondContact ND2-N 2.58Å; N35-T169 HydrophobicContact CB-CG2 3.21Å; N35-T169 VanDerWaalsContact ND2-CG2 3.27Å; N35-T169 WeakPolarHBondContact ND2-CG2 3.45Å
36	I	96.6	Very high	93.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61	-45.1	168.8	-66.3	168.1	0	0	0	109.6	F10 F14 L31 S32 P33 T38 A39 L40 L286 H322	F10-I36 HydrophobicContact CE1-CG2 4.19Å; F10-I36 HydrophobicContact CZ-CG2 3.93Å; F14-I36 HydrophobicContact CD1-CD1 4.35Å; F14-I36 HydrophobicContact CE1-CD1 3.46Å; F14-I36 VanDerWaalsContact CE1-CD1 3.46Å; F14-I36 HydrophobicContact CZ-CD1 3.79Å; L31-I36 HydrophobicContact CD1-CD1 4.5Å; S32-I36 VanDerWaalsContact O-CG1 3.28Å; S32-I36 WeakPolarHBondContact O-CG1 3.2Å; S32-I36 PolarHBondContact O-N 3.46Å; P33-I36 PolarHBondContact O-N 3.41Å; I36-T38 VanDerWaalsContact C-N 3.34Å; I36-T38 PolarHBondContact O-N 3.43Å; I36-A39 CarbonylContact O-C 3.58Å; I36-A39 WeakPolarHBondContact O-CA 3.27Å; I36-A39 WeakPolarHBondContact O-CB 3.42Å; I36-A39 PolarHBondContact O-N 2.86Å; I36-A39 VanDerWaalsContact O-N 3.08Å; I36-L40 HydrophobicContact CG2-CD1 4.49Å; I36-L40 WeakPolarHBondContact O-CG 3.49Å; I36-L40 PolarHBondContact O-N 2.85Å; I36-L286 HydrophobicContact CB-CD1 4.37Å; I36-L286 HydrophobicContact CD1-CD1 3.78Å; I36-L286 HydrophobicContact CG1-CD1 3.76Å; I36-L286 HydrophobicContact CG2-CD1 3.72Å; I36-H322 HydrophobicContact CD1-CB 4.31Å; I36-H322 HydrophobicContact CG1-CB 4.12Å
37	Y	96.5	Very high	94.3	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.008	6%	0.057	C	C	.	.	H	α-helix	trans	-61.8	-41.1	176	-170.2	-93.4	0	0	0	112.3	S6 L7 F10 P33 F34 N35 A39 L40 G41 M59 L61 I74	S6-Y37 PolarHBondContact OG-OH 3Å; L7-Y37 HydrophobicContact CB-CD1 4.3Å; L7-Y37 HydrophobicContact CB-CE1 4.24Å; L7-Y37 HydrophobicContact CB-CE2 4.44Å; L7-Y37 HydrophobicContact CB-CG 4.43Å; L7-Y37 VanDerWaalsContact CD1-CB 3.48Å; L7-Y37 HydrophobicContact CD1-CD1 3.98Å; L7-Y37 HydrophobicContact CD1-CD2 3.96Å; L7-Y37 HydrophobicContact CD1-CG 3.55Å; F10-Y37 HydrophobicContact CB-CD2 3.94Å; F10-Y37 HydrophobicContact CB-CE2 4.07Å; F10-Y37 AromaticContact CD1-CD2 3.63Å; F10-Y37 HydrophobicContact CD1-CD2 3.63Å; F10-Y37 HydrophobicContact CD1-CG 4.36Å; F10-Y37 HydrophobicContact CD2-CD2 4.35Å; F10-Y37 HydrophobicContact CE1-CD2 4.24Å; F10-Y37 AromaticContact CG-CD2 3.69Å; F10-Y37 HydrophobicContact CG-CD2 3.69Å; F10-Y37 HydrophobicContact CG-CE2 4.23Å; P33-Y37 VanDerWaalsContact O-CB 3.25Å; P33-Y37 WeakPolarHBondContact O-CB 3.04Å; P33-Y37 PolarHBondContact O-N 3.02Å; F34-Y37 WeakPolarHBondContact O-CB 3.43Å; F34-Y37 PolarHBondContact O-N 3.33Å; N35-Y37 VanDerWaalsContact C-N 3.31Å; Y37-A39 VanDerWaalsContact C-N 3.29Å; Y37-A39 PolarHBondContact O-N 3.12Å; Y37-L40 PolarHBondContact O-N 3.4Å; Y37-G41 PolarHBondContact O-N 3.4Å; Y37-M59 HydrophobicContact CD1-CE 4.05Å; Y37-M59 HydrophobicContact CD2-CE 3.95Å; Y37-M59 HydrophobicContact CD2-CG 4.49Å; Y37-M59 HydrophobicContact CE1-CE 3.72Å; Y37-M59 HydrophobicContact CE2-CB 3.76Å; Y37-M59 HydrophobicContact CE2-CE 3.61Å; Y37-M59 HydrophobicContact CE2-CG 4.13Å; Y37-M59 WeakPolarHBondContact CE2-O 3.42Å; Y37-M59 HydrophobicContact CG-CE 4.16Å; Y37-M59 VanDerWaalsContact CZ-CE 3.47Å; Y37-L61 VanDerWaalsContact OH-CD2 3.27Å; Y37-L61 WeakPolarHBondContact OH-CD2 3.35Å; Y37-I74 HydrophobicContact CD1-CD1 4.28Å; Y37-I74 HydrophobicContact CD1-CG1 4.39Å; Y37-I74 HydrophobicContact CE1-CD1 3.82Å; Y37-I74 HydrophobicContact CE1-CG1 3.96Å
38	T	96	Very high	94.8	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.012	5%	0.045	C	C	.	.	H	α-helix	trans	-56.9	-43.8	170.6	-54.7	0	0	0	0	111.3	F34 N35 I36 G41 M42 I74 L78 Y116	F34-T38 PolarHBondContact O-N 3.48Å; F34-T38 PolarHBondContact O-OG1 2.93Å; F34-T38 VanDerWaalsContact O-OG1 3.06Å; N35-T38 WeakPolarHBondContact O-CB 3.18Å; N35-T38 PolarHBondContact O-N 3.34Å; I36-T38 VanDerWaalsContact C-N 3.34Å; I36-T38 PolarHBondContact O-N 3.43Å; T38-G41 WeakPolarHBondContact O-CA 3.47Å; T38-G41 PolarHBondContact O-N 2.79Å; T38-G41 VanDerWaalsContact O-N 3.14Å; T38-M42 PolarHBondContact O-N 3.46Å; T38-M42 VanDerWaalsContact O-N 3.11Å; T38-I74 HydrophobicContact CG2-CG2 4.3Å; T38-L78 HydrophobicContact CG2-CD1 4.23Å; T38-L78 HydrophobicContact CG2-CD2 4.16Å; T38-Y116 HydrophobicContact CG2-CD1 3.68Å; T38-Y116 HydrophobicContact CG2-CE1 4.39Å; T38-Y116 WeakPolarHBondContact O-CD1 3.26Å; T38-Y116 WeakPolarHBondContact O-CE1 3.26Å
39	A	97.1	Very high	95	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.8	-37.9	177.9	0	0	0	0	0	113.9	N35 I36 Y37 G41 M42 V43 V165 A167 V320	N35-A39 PolarHBondContact O-N 2.9Å; I36-A39 CarbonylContact O-C 3.58Å; I36-A39 WeakPolarHBondContact O-CA 3.27Å; I36-A39 WeakPolarHBondContact O-CB 3.42Å; I36-A39 PolarHBondContact O-N 2.86Å; I36-A39 VanDerWaalsContact O-N 3.08Å; Y37-A39 VanDerWaalsContact C-N 3.29Å; Y37-A39 PolarHBondContact O-N 3.12Å; A39-G41 VanDerWaalsContact C-N 3.26Å; A39-G41 PolarHBondContact O-N 2.81Å; A39-M42 VanDerWaalsContact CA-CE 3.44Å; A39-M42 HydrophobicContact CB-CE 3.68Å; A39-M42 WeakPolarHBondContact O-CB 3.27Å; A39-M42 PolarHBondContact O-N 3.35Å; A39-V43 PolarHBondContact O-N 3.14Å; A39-V165 HydrophobicContact CB-CG1 3.88Å; A39-A167 HydrophobicContact CB-CB 3.73Å; A39-V320 HydrophobicContact CB-CG1 4.26Å
40	L	97	Very high	95.3	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-63.7	-34.5	169.8	-64.5	-178.7	0	0	0	111.5	F10 I36 Y37 M42 V43 L44 M55 M59 L290 I295	F10-L40 HydrophobicContact CE2-CD1 3.55Å; F10-L40 HydrophobicContact CZ-CD1 3.58Å; I36-L40 HydrophobicContact CG2-CD1 4.49Å; I36-L40 WeakPolarHBondContact O-CG 3.49Å; I36-L40 PolarHBondContact O-N 2.85Å; Y37-L40 PolarHBondContact O-N 3.4Å; L40-M42 VanDerWaalsContact C-N 3.32Å; L40-M42 PolarHBondContact O-N 3.25Å; L40-V43 PolarHBondContact O-N 3.42Å; L40-L44 WeakPolarHBondContact O-CB 2.94Å; L40-L44 PolarHBondContact O-N 3.27Å; L40-M55 HydrophobicContact CB-CE 3.78Å; L40-M55 HydrophobicContact CD2-CE 3.99Å; L40-M55 HydrophobicContact CG-CE 4.43Å; L40-M55 WeakPolarHBondContact O-CE 3.31Å; L40-M59 HydrophobicContact CB-CE 4.11Å; L40-M59 HydrophobicContact CB-CG 4.07Å; L40-M59 HydrophobicContact CB-SD 3.72Å; L40-M59 HydrophobicContact CD1-CG 4.15Å; L40-L290 HydrophobicContact CD1-CD2 3.9Å; L40-L290 HydrophobicContact CD2-CD1 3.77Å; L40-L290 HydrophobicContact CD2-CD2 3.87Å; L40-L290 HydrophobicContact CD2-CG 4.45Å; L40-L290 HydrophobicContact CG-CD2 4.43Å; L40-I295 HydrophobicContact CD1-CD1 4.46Å; L40-I295 HydrophobicContact CD2-CD1 4.19Å
41	G	95.8	Very high	95.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.7	-40	171.4	0	0	0	0	0	113.2	Y37 T38 A39 V43 L44 S45 Y116	Y37-G41 PolarHBondContact O-N 3.4Å; T38-G41 WeakPolarHBondContact O-CA 3.47Å; T38-G41 PolarHBondContact O-N 2.79Å; T38-G41 VanDerWaalsContact O-N 3.14Å; A39-G41 VanDerWaalsContact C-N 3.26Å; A39-G41 PolarHBondContact O-N 2.81Å; G41-V43 VanDerWaalsContact C-N 3.34Å; G41-L44 PolarHBondContact O-N 2.91Å; G41-S45 PolarHBondContact O-N 3.44Å; G41-Y116 WeakPolarHBondContact CA-OH 3.48Å; G41-Y116 PolarHBondContact O-OH 2.99Å; G41-Y116 VanDerWaalsContact O-OH 3.06Å
42	M	96.9	Very high	95.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-43.8	173.5	-60.6	-172.6	-77.1	0	0	111.6	T38 A39 L40 S45 G46 N94 L112 Y116 A118 V165	T38-M42 PolarHBondContact O-N 3.46Å; T38-M42 VanDerWaalsContact O-N 3.11Å; A39-M42 VanDerWaalsContact CA-CE 3.44Å; A39-M42 HydrophobicContact CB-CE 3.68Å; A39-M42 WeakPolarHBondContact O-CB 3.27Å; A39-M42 PolarHBondContact O-N 3.35Å; L40-M42 VanDerWaalsContact C-N 3.32Å; L40-M42 PolarHBondContact O-N 3.25Å; M42-S45 PolarHBondContact O-N 3.08Å; M42-G46 PolarHBondContact O-N 3.48Å; M42-N94 HydrophobicContact CE-CB 3.74Å; M42-N94 HydrophobicContact SD-CB 4.03Å; M42-L112 HydrophobicContact CB-CD1 4.49Å; M42-L112 HydrophobicContact CB-CG 4.34Å; M42-L112 HydrophobicContact CG-CG 4.35Å; M42-Y116 HydrophobicContact CG-CD1 3.84Å; M42-Y116 HydrophobicContact CG-CD2 4.01Å; M42-Y116 HydrophobicContact CG-CE1 4.47Å; M42-Y116 HydrophobicContact CG-CG 3.58Å; M42-A118 HydrophobicContact CG-CB 4.39Å; M42-A118 HydrophobicContact SD-CB 3.21Å; M42-A118 WeakPolarHBondContact SD-CB 3.43Å; M42-V165 HydrophobicContact CE-CG1 3.33Å
43	V	96.7	Very high	95.7	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.024	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-43.7	177.1	177.8	0	0	0	0	110.7	A39 L40 G41 S45 G46 S47 M55 V165 F306 I317	A39-V43 PolarHBondContact O-N 3.14Å; L40-V43 PolarHBondContact O-N 3.42Å; G41-V43 VanDerWaalsContact C-N 3.34Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.78Å; V43-G46 PolarHBondContact O-N 3.15Å; V43-G46 VanDerWaalsContact O-N 3.07Å; V43-S47 PolarHBondContact O-N 3.23Å; V43-S47 VanDerWaalsContact O-N 3.08Å; V43-M55 HydrophobicContact CB-CE 3.71Å; V43-M55 HydrophobicContact CB-SD 4.48Å; V43-M55 HydrophobicContact CG1-CE 3.74Å; V43-M55 HydrophobicContact CG1-SD 3.85Å; V43-V165 HydrophobicContact CG2-CG2 3.83Å; V43-F306 HydrophobicContact CG1-CE1 3.71Å; V43-F306 HydrophobicContact CG1-CZ 3.86Å; V43-I317 HydrophobicContact CG1-CG1 4.09Å; V43-I317 HydrophobicContact CG2-CD1 4.41Å; V43-I317 HydrophobicContact CG2-CG1 4.24Å
44	L	95.9	Very high	95.8	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.026	10%	0.099	C	C	.	.	H	α-helix	trans	-57.7	-43.4	176.8	176.4	67.3	0	0	0	111.1	L40 G41 G46 S47 K52 M55 I56 M59 L61	L40-L44 WeakPolarHBondContact O-CB 2.94Å; L40-L44 PolarHBondContact O-N 3.27Å; G41-L44 PolarHBondContact O-N 2.91Å; L44-G46 PolarHBondContact O-N 3.16Å; L44-S47 WeakPolarHBondContact CA-OG 3.34Å; L44-S47 PolarHBondContact O-N 3.49Å; L44-S47 VanDerWaalsContact O-N 3.09Å; L44-S47 PolarHBondContact O-OG 2.95Å; L44-K52 HydrophobicContact CD1-CG 3.95Å; L44-M55 HydrophobicContact CB-CB 4.4Å; L44-M55 HydrophobicContact CB-CE 4.28Å; L44-M55 HydrophobicContact CD1-CB 3.68Å; L44-I56 HydrophobicContact CD1-CG1 3.95Å; L44-M59 HydrophobicContact CB-SD 4.3Å; L44-M59 HydrophobicContact CD2-SD 4.14Å; L44-L61 HydrophobicContact CD2-CD1 3.73Å
45	S	95.2	Very high	95.8	Very high	9 Å²	9	18.1 Å²	18.1	6%	0.063	10%	0.099	C	C	.	.	H	α-helix	trans	-60.6	-26.4	178.6	-164.7	0	0	0	0	113.2	G41 M42 V43	G41-S45 PolarHBondContact O-N 3.44Å; M42-S45 PolarHBondContact O-N 3.08Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.78Å
46	G	95.3	Very high	95.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-94.5	-14	177.8	0	0	0	0	0	114.4	M42 V43 L44 F108 F306 N308	M42-G46 PolarHBondContact O-N 3.48Å; V43-G46 PolarHBondContact O-N 3.15Å; V43-G46 VanDerWaalsContact O-N 3.07Å; L44-G46 PolarHBondContact O-N 3.16Å; G46-F108 VanDerWaalsContact CA-CE2 3.41Å; G46-F306 CarbonylContact O-C 3.5Å; G46-F306 VanDerWaalsContact O-CA 3.27Å; G46-F306 WeakPolarHBondContact O-CA 3.27Å; G46-N308 WeakPolarHBondContact O-CB 3.43Å
47	S	95.3	Very high	95.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.			trans	-86.4	154.9	-173.1	66.4	0	0	0	0	113.3	V43 L44 K52 D305 N308	V43-S47 PolarHBondContact O-N 3.23Å; V43-S47 VanDerWaalsContact O-N 3.08Å; L44-S47 WeakPolarHBondContact CA-OG 3.34Å; L44-S47 PolarHBondContact O-N 3.49Å; L44-S47 VanDerWaalsContact O-N 3.09Å; L44-S47 PolarHBondContact O-OG 2.95Å; S47-K52 WeakPolarHBondContact OG-CA 3.45Å; S47-K52 WeakPolarHBondContact OG-CB 3.42Å; S47-D305 WeakPolarHBondContact CA-O 3.48Å; S47-N308 PolarHBondContact O-ND2 3.03Å; S47-N308 VanDerWaalsContact O-ND2 3.16Å
48	E	94.1	Very high	95.6	Very high	54 Å²	54	26 Å²	26	25%	0.252	13%	0.129	S	C	.	.			trans	-138	171.9	169.5	-155	54.9	-100.6	0	0	111.5	N50 T51 K52 D305 N308	E48-N50 PolarHBondContact O-N 3.27Å; E48-T51 WeakPolarHBondContact O-CB 3.27Å; E48-T51 PolarHBondContact O-N 3.03Å; E48-K52 PolarHBondContact O-N 3.08Å; E48-K52 VanDerWaalsContact O-N 3.14Å; E48-K52 VanDerWaalsContact OE1-CD 3.31Å; E48-K52 WeakPolarHBondContact OE1-CD 3.36Å; E48-K52 IonicContact OE1-NZ 3.16Å; E48-K52 PolarHBondContact OE1-NZ 3.49Å; E48-K52 IonicContact OE2-NZ 3.21Å; E48-K52 PolarHBondContact OE2-NZ 3.39Å; E48-D305 PolarHBondContact N-O 3.46Å; E48-N308 PolarHBondContact OE2-ND2 2.93Å
49	N	94.2	Very high	95.6	Very high	113 Å²	113	26 Å²	26	60%	0.604	13%	0.129	S	C	*	.	H	α-helix	trans	51.5	-132.9	172.9	-65.1	-48.1	0	0	0	113.5	T51 K52 A53 D305	N49-T51 VanDerWaalsContact C-N 3.32Å; N49-T51 PolarHBondContact O-N 3.16Å; N49-K52 WeakPolarHBondContact O-CB 3.32Å; N49-K52 PolarHBondContact O-N 3.17Å; N49-A53 PolarHBondContact O-N 3.42Å; N49-A53 VanDerWaalsContact O-N 3.08Å; N49-D305 PolarHBondContact ND2-OD2 3.38Å
50	N	95.7	Very high	95.4	Very high	84 Å²	84	29.1 Å²	29.1	45%	0.449	14%	0.143	S	C	.	.	H	α-helix	trans	-65.9	-34.6	-176.2	-169.5	63.2	0	0	0	112.3	E48 K52 A53 E54 D297	E48-N50 PolarHBondContact O-N 3.27Å; N50-K52 VanDerWaalsContact C-N 3.28Å; N50-K52 PolarHBondContact O-N 3.45Å; N50-A53 PolarHBondContact O-N 3.12Å; N50-A53 VanDerWaalsContact O-N 3.16Å; N50-E54 PolarHBondContact ND2-OE1 2.7Å; N50-E54 WeakPolarHBondContact O-CG 3.4Å; N50-E54 PolarHBondContact O-N 3.07Å; N50-D297 PolarHBondContact ND2-OD2 2.82Å
51	T	96.1	Very high	95.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-45.3	175.2	-58.8	0	0	0	0	110.4	E48 N49 E54 M55 D297 A298 D305 F306	E48-T51 WeakPolarHBondContact O-CB 3.27Å; E48-T51 PolarHBondContact O-N 3.03Å; N49-T51 VanDerWaalsContact C-N 3.32Å; N49-T51 PolarHBondContact O-N 3.16Å; T51-E54 PolarHBondContact O-N 3.04Å; T51-M55 VanDerWaalsContact O-CG 3.25Å; T51-M55 WeakPolarHBondContact O-CG 3.18Å; T51-M55 PolarHBondContact O-N 3.09Å; T51-M55 VanDerWaalsContact O-N 3.07Å; T51-D297 WeakPolarHBondContact OG1-CB 3.38Å; T51-A298 HydrophobicContact CG2-CB 3.9Å; T51-D305 PolarHBondContact OG1-N 3.07Å; T51-F306 HydrophobicContact CG2-CE1 4.38Å; T51-F306 HydrophobicContact CG2-CE2 4.49Å; T51-F306 HydrophobicContact CG2-CZ 4.04Å
52	K	95.1	Very high	94.6	Very high	42 Å²	42	32 Å²	32	18%	0.183	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-42.1	176.6	-175.7	173.6	178.8	174.8	0	112.8	L44 S47 E48 N49 N50 E54 M55 I56 H67	L44-K52 HydrophobicContact CD1-CG 3.95Å; S47-K52 WeakPolarHBondContact OG-CA 3.45Å; S47-K52 WeakPolarHBondContact OG-CB 3.42Å; E48-K52 PolarHBondContact O-N 3.08Å; E48-K52 VanDerWaalsContact O-N 3.14Å; E48-K52 VanDerWaalsContact OE1-CD 3.31Å; E48-K52 WeakPolarHBondContact OE1-CD 3.36Å; E48-K52 IonicContact OE1-NZ 3.16Å; E48-K52 PolarHBondContact OE1-NZ 3.49Å; E48-K52 IonicContact OE2-NZ 3.21Å; E48-K52 PolarHBondContact OE2-NZ 3.39Å; N49-K52 WeakPolarHBondContact O-CB 3.32Å; N49-K52 PolarHBondContact O-N 3.17Å; N50-K52 VanDerWaalsContact C-N 3.28Å; N50-K52 PolarHBondContact O-N 3.45Å; K52-E54 VanDerWaalsContact C-N 3.33Å; K52-E54 PolarHBondContact O-N 3.16Å; K52-M55 WeakPolarHBondContact O-CB 3.19Å; K52-M55 PolarHBondContact O-N 2.7Å; K52-I56 HydrophobicContact CG-CD1 4.06Å; K52-I56 VanDerWaalsContact O-CG1 3.29Å; K52-I56 WeakPolarHBondContact O-CG1 3.37Å; K52-I56 PolarHBondContact O-N 3.45Å; K52-H67 WeakPolarHBondContact CE-CD2 3.35Å; K52-H67 VanDerWaalsContact CE-NE2 3.3Å; K52-H67 WeakPolarHBondContact CE-NE2 3.24Å
53	A	94.9	Very high	93.5	Very high	39 Å²	39	38.3 Å²	38.3	32%	0.322	20%	0.197	S	C	.	.	H	α-helix	trans	-62	-39.7	176.7	0	0	0	0	0	112.5	N49 N50 R57	N49-A53 PolarHBondContact O-N 3.42Å; N49-A53 VanDerWaalsContact O-N 3.08Å; N50-A53 PolarHBondContact O-N 3.12Å; N50-A53 VanDerWaalsContact O-N 3.16Å; A53-R57 WeakPolarHBondContact O-CB 3.37Å; A53-R57 PolarHBondContact O-N 3.47Å; A53-R57 VanDerWaalsContact O-N 3.12Å
54	E	96.9	Very high	92	Very high	22 Å²	22	44.4 Å²	44.4	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-44.3	173.3	-71.9	-175.2	162.4	0	0	111.8	N50 T51 K52 R57 A58 G294 N296 D297	N50-E54 PolarHBondContact ND2-OE1 2.7Å; N50-E54 WeakPolarHBondContact O-CG 3.4Å; N50-E54 PolarHBondContact O-N 3.07Å; T51-E54 PolarHBondContact O-N 3.04Å; K52-E54 VanDerWaalsContact C-N 3.33Å; K52-E54 PolarHBondContact O-N 3.16Å; E54-R57 PolarHBondContact O-N 3.16Å; E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.44Å; E54-A58 PolarHBondContact O-N 3.27Å; E54-G294 WeakPolarHBondContact CB-O 3.3Å; E54-G294 VanDerWaalsContact CD-O 3.3Å; E54-G294 WeakPolarHBondContact CG-O 3.49Å; E54-N296 PolarHBondContact OE2-N 3.37Å; E54-D297 PolarHBondContact OE2-N 3.21Å
55	M	95.8	Very high	90.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-48.6	177	-69	-64.1	-61.6	0	0	111.8	L40 V43 L44 T51 K52 R57 A58 M59 I295	L40-M55 HydrophobicContact CB-CE 3.78Å; L40-M55 HydrophobicContact CD2-CE 3.99Å; L40-M55 HydrophobicContact CG-CE 4.43Å; L40-M55 WeakPolarHBondContact O-CE 3.31Å; V43-M55 HydrophobicContact CB-CE 3.71Å; V43-M55 HydrophobicContact CB-SD 4.48Å; V43-M55 HydrophobicContact CG1-CE 3.74Å; V43-M55 HydrophobicContact CG1-SD 3.85Å; L44-M55 HydrophobicContact CB-CB 4.4Å; L44-M55 HydrophobicContact CB-CE 4.28Å; L44-M55 HydrophobicContact CD1-CB 3.68Å; T51-M55 VanDerWaalsContact O-CG 3.25Å; T51-M55 WeakPolarHBondContact O-CG 3.18Å; T51-M55 PolarHBondContact O-N 3.09Å; T51-M55 VanDerWaalsContact O-N 3.07Å; K52-M55 WeakPolarHBondContact O-CB 3.19Å; K52-M55 PolarHBondContact O-N 2.7Å; M55-R57 PolarHBondContact O-N 2.78Å; M55-A58 PolarHBondContact O-N 2.84Å; M55-M59 HydrophobicContact CE-SD 4.15Å; M55-M59 VanDerWaalsContact O-CB 3.26Å; M55-M59 WeakPolarHBondContact O-CB 3.32Å; M55-M59 VanDerWaalsContact O-CG 3.23Å; M55-M59 WeakPolarHBondContact O-CG 3.49Å; M55-M59 PolarHBondContact O-N 3.28Å; M55-I295 HydrophobicContact CE-CD1 4.49Å; M55-I295 HydrophobicContact SD-CB 4.49Å; M55-I295 HydrophobicContact SD-CD1 3.73Å; M55-I295 HydrophobicContact SD-CG1 4.07Å; M55-I295 HydrophobicContact SD-CG2 3.6Å
56	I	94.5	Very high	89.4	Confident	13 Å²	13	52 Å²	52	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-57	-50	178.1	-69.1	164.5	0	0	0	110.7	L44 K52 M59 Q60 L61 H67	L44-I56 HydrophobicContact CD1-CG1 3.95Å; K52-I56 HydrophobicContact CG-CD1 4.06Å; K52-I56 VanDerWaalsContact O-CG1 3.29Å; K52-I56 WeakPolarHBondContact O-CG1 3.37Å; K52-I56 PolarHBondContact O-N 3.45Å; I56-M59 PolarHBondContact O-N 3.14Å; I56-Q60 PolarHBondContact O-N 3.02Å; I56-Q60 VanDerWaalsContact O-N 3.09Å; I56-L61 HydrophobicContact CB-CB 4.48Å; I56-L61 HydrophobicContact CG2-CB 3.85Å; I56-L61 PolarHBondContact O-N 3.3Å; I56-H67 WeakPolarHBondContact CD1-NE2 3.43Å
57	R	94.3	Very high	88.4	Confident	156 Å²	156	54.7 Å²	54.7	59%	0.589	29%	0.285	S	S	*	.	H	α-helix	trans	-63	-45.5	179.8	-177.7	178.4	-70.6	118.2	0.9	111.9	A53 E54 M55 Q60	A53-R57 WeakPolarHBondContact O-CB 3.37Å; A53-R57 PolarHBondContact O-N 3.47Å; A53-R57 VanDerWaalsContact O-N 3.12Å; E54-R57 PolarHBondContact O-N 3.16Å; M55-R57 PolarHBondContact O-N 2.78Å; R57-Q60 PolarHBondContact O-N 2.98Å; R57-Q60 VanDerWaalsContact O-N 3.15Å; R57-Q60 PolarHBondContact O-NE2 3.05Å
58	A	95.4	Very high	87.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-40.3	-179.5	0	0	0	0	0	111.9	E54 M55 Q60 L293 I295	E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.44Å; E54-A58 PolarHBondContact O-N 3.27Å; M55-A58 PolarHBondContact O-N 2.84Å; A58-Q60 PolarHBondContact O-N 2.84Å; A58-L293 HydrophobicContact CB-CB 4.22Å; A58-I295 HydrophobicContact CB-CD1 3.53Å; A58-I295 HydrophobicContact CB-CG1 3.33Å
59	M	94.8	Very high	87.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-3	174.6	-67.4	179.5	72.1	0	0	113.4	S6 Y37 L40 L44 M55 I56 L61 I74	S6-M59 WeakPolarHBondContact CB-O 3.47Å; Y37-M59 HydrophobicContact CD1-CE 4.05Å; Y37-M59 HydrophobicContact CD2-CE 3.95Å; Y37-M59 HydrophobicContact CD2-CG 4.49Å; Y37-M59 HydrophobicContact CE1-CE 3.72Å; Y37-M59 HydrophobicContact CE2-CB 3.76Å; Y37-M59 HydrophobicContact CE2-CE 3.61Å; Y37-M59 HydrophobicContact CE2-CG 4.13Å; Y37-M59 WeakPolarHBondContact CE2-O 3.42Å; Y37-M59 HydrophobicContact CG-CE 4.16Å; Y37-M59 VanDerWaalsContact CZ-CE 3.47Å; L40-M59 HydrophobicContact CB-CE 4.11Å; L40-M59 HydrophobicContact CB-CG 4.07Å; L40-M59 HydrophobicContact CB-SD 3.72Å; L40-M59 HydrophobicContact CD1-CG 4.15Å; L44-M59 HydrophobicContact CB-SD 4.3Å; L44-M59 HydrophobicContact CD2-SD 4.14Å; M55-M59 HydrophobicContact CE-SD 4.15Å; M55-M59 VanDerWaalsContact O-CB 3.26Å; M55-M59 WeakPolarHBondContact O-CB 3.32Å; M55-M59 VanDerWaalsContact O-CG 3.23Å; M55-M59 WeakPolarHBondContact O-CG 3.49Å; M55-M59 PolarHBondContact O-N 3.28Å; I56-M59 PolarHBondContact O-N 3.14Å; M59-L61 HydrophobicContact CB-CD1 3.92Å; M59-L61 HydrophobicContact CB-CG 3.94Å; M59-L61 HydrophobicContact CE-CD1 4.28Å; M59-L61 PolarHBondContact O-N 3.18Å; M59-L61 HydrophobicContact SD-CD1 4.23Å; M59-I74 HydrophobicContact CE-CD1 4.39Å
60	Q	93	Very high	87.3	Confident	66 Å²	66	56.6 Å²	56.6	31%	0.308	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	30.2	-179.1	-53.7	-70.4	-72.4	0	0	112.7	S6 N9 I56 R57 A58	S6-Q60 WeakPolarHBondContact CB-O 3.48Å; N9-Q60 HydrophobicContact CB-CB 4.02Å; N9-Q60 HydrophobicContact CB-CG 4.01Å; I56-Q60 PolarHBondContact O-N 3.02Å; I56-Q60 VanDerWaalsContact O-N 3.09Å; R57-Q60 PolarHBondContact O-N 2.98Å; R57-Q60 VanDerWaalsContact O-N 3.15Å; R57-Q60 PolarHBondContact O-NE2 3.05Å; A58-Q60 PolarHBondContact O-N 2.84Å
61	L	91.8	Very high	87.2	Confident	14 Å²	14	53.2 Å²	53.2	7%	0.073	28%	0.276	C	S	.	.			trans	-78.5	149.5	172.5	-68.7	168.6	0	0	0	109.4	Y37 L44 I56 M59 L65 V70	Y37-L61 VanDerWaalsContact OH-CD2 3.27Å; Y37-L61 WeakPolarHBondContact OH-CD2 3.35Å; L44-L61 HydrophobicContact CD2-CD1 3.73Å; I56-L61 HydrophobicContact CB-CB 4.48Å; I56-L61 HydrophobicContact CG2-CB 3.85Å; I56-L61 PolarHBondContact O-N 3.3Å; M59-L61 HydrophobicContact CB-CD1 3.92Å; M59-L61 HydrophobicContact CB-CG 3.94Å; M59-L61 HydrophobicContact CE-CD1 4.28Å; M59-L61 PolarHBondContact O-N 3.18Å; M59-L61 HydrophobicContact SD-CD1 4.23Å; L61-L65 HydrophobicContact CD2-CD1 4.4Å; L61-V70 HydrophobicContact CD1-CG1 3.87Å; L61-V70 HydrophobicContact CD2-CB 4.48Å; L61-V70 HydrophobicContact CD2-CG1 3.64Å; L61-V70 HydrophobicContact CD2-CG2 3.94Å; L61-V70 HydrophobicContact CG-CG1 4.43Å
62	S	85	Confident	87	Confident	50 Å²	50	55.7 Å²	55.7	35%	0.35	29%	0.293	S	S	.	.			trans	-80.3	143.2	175.1	-58.1	0	0	0	0	111.4	E2 C64 L65	E2-S62 WeakPolarHBondContact OE1-CB 3.49Å; E2-S62 PolarHBondContact OE1-OG 3.28Å; S62-C64 PolarHBondContact O-N 3.27Å; S62-L65 PolarHBondContact O-N 3.14Å
63	D	74.3	Confident	86.9	Confident	132 Å²	132	54.5 Å²	54.5	71%	0.706	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.9	178.4	-60.8	-36.5	0	0	0	113	L65	D63-L65 VanDerWaalsContact C-N 3.34Å
64	C	64.6	Low	86.8	Confident	131 Å²	131	52.8 Å²	52.8	89%	0.885	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-3.9	-178.1	-55.1	0	0	0	0	114.4	S62	S62-C64 PolarHBondContact O-N 3.27Å
65	L	64.7	Low	86.7	Confident	21 Å²	21	52.1 Å²	52.1	11%	0.11	27%	0.272	C	S	.	.	S	Bend	trans	-77.4	137.9	-174.4	-96.3	152.4	0	0	0	112.6	E2 L61 S62 D63 H67 V70	E2-L65 HydrophobicContact CB-CD1 4.08Å; E2-L65 HydrophobicContact CB-CD2 4.36Å; E2-L65 HydrophobicContact CG-CD1 3.6Å; E2-L65 HydrophobicContact CG-CG 4.39Å; E2-L65 WeakPolarHBondContact OE1-CD1 3.2Å; E2-L65 WeakPolarHBondContact OE2-CD1 3.47Å; E2-L65 WeakPolarHBondContact OE2-CD2 3.49Å; E2-L65 VanDerWaalsContact OE2-CG 3.22Å; E2-L65 WeakPolarHBondContact OE2-CG 3.47Å; L61-L65 HydrophobicContact CD2-CD1 4.4Å; S62-L65 PolarHBondContact O-N 3.14Å; D63-L65 VanDerWaalsContact C-N 3.34Å; L65-H67 PolarHBondContact O-N 2.94Å; L65-H67 PolarHBondContact O-ND1 2.62Å; L65-V70 HydrophobicContact CB-CG2 4.12Å; L65-V70 HydrophobicContact CD1-CG2 3.93Å; L65-V70 HydrophobicContact CD2-CG2 3.98Å; L65-V70 HydrophobicContact CG-CG2 4.26Å
66	E	72.3	Confident	86.6	Confident	153 Å²	153	57 Å²	57	72%	0.715	29%	0.294	S	S	*	.			trans	-63.6	119.1	158.6	-68.6	-174.7	178	0	0	108.6	D68 Q69 V70	E66-D68 PolarHBondContact O-N 2.98Å; E66-Q69 HydrophobicContact CB-CB 4.26Å; E66-Q69 VanDerWaalsContact O-CB 3.28Å; E66-Q69 WeakPolarHBondContact O-CB 3.28Å; E66-Q69 PolarHBondContact O-N 2.82Å; E66-V70 PolarHBondContact O-N 2.89Å
67	H	74	Confident	86.6	Confident	56 Å²	56	56.8 Å²	56.8	26%	0.259	29%	0.294	S	S	.	.	H	α-helix	trans	-67.7	-30.4	-170.7	-64.9	44.6	0	0	0	111.9	K52 I56 L65 Q69 V70 H71	K52-H67 WeakPolarHBondContact CE-CD2 3.35Å; K52-H67 VanDerWaalsContact CE-NE2 3.3Å; K52-H67 WeakPolarHBondContact CE-NE2 3.24Å; I56-H67 WeakPolarHBondContact CD1-NE2 3.43Å; L65-H67 PolarHBondContact O-N 2.94Å; L65-H67 PolarHBondContact O-ND1 2.62Å; H67-Q69 PolarHBondContact O-N 2.74Å; H67-V70 WeakPolarHBondContact O-CB 3.4Å; H67-V70 PolarHBondContact O-N 2.67Å; H67-V70 VanDerWaalsContact O-N 3.15Å; H67-H71 PolarHBondContact O-CD2 2.95Å; H67-H71 PolarHBondContact O-N 2.82Å
68	D	82.1	Confident	86.6	Confident	121 Å²	121	49.5 Å²	49.5	65%	0.647	27%	0.266	S	S	*	.	H	α-helix	trans	-61.1	-34.5	173.1	-68.9	-18.8	0	0	0	111.9	E66 H71 C72	E66-D68 PolarHBondContact O-N 2.98Å; D68-H71 PolarHBondContact O-N 2.86Å; D68-C72 PolarHBondContact O-N 2.99Å; D68-C72 PolarHBondContact O-SG 3.48Å
69	Q	87.7	Confident	86.5	Confident	83 Å²	83	52.7 Å²	52.7	39%	0.388	28%	0.283	S	S	.	.	H	α-helix	trans	-66.8	-38.8	176.2	-176.4	60.9	25.3	0	0	111.3	E66 H67 H71 C72 E73	E66-Q69 HydrophobicContact CB-CB 4.26Å; E66-Q69 VanDerWaalsContact O-CB 3.28Å; E66-Q69 WeakPolarHBondContact O-CB 3.28Å; E66-Q69 PolarHBondContact O-N 2.82Å; H67-Q69 PolarHBondContact O-N 2.74Å; Q69-H71 VanDerWaalsContact C-N 3.35Å; Q69-H71 PolarHBondContact O-N 2.81Å; Q69-C72 PolarHBondContact O-N 2.89Å; Q69-E73 PolarHBondContact NE2-OE1 3.34Å; Q69-E73 WeakPolarHBondContact O-CG 3.21Å; Q69-E73 PolarHBondContact O-N 3.36Å
70	V	90.1	Very high	86.4	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-45.6	176	177.5	0	0	0	0	110.7	L61 L65 E66 H67 C72 E73 I74	L61-V70 HydrophobicContact CD1-CG1 3.87Å; L61-V70 HydrophobicContact CD2-CB 4.48Å; L61-V70 HydrophobicContact CD2-CG1 3.64Å; L61-V70 HydrophobicContact CD2-CG2 3.94Å; L61-V70 HydrophobicContact CG-CG1 4.43Å; L65-V70 HydrophobicContact CB-CG2 4.12Å; L65-V70 HydrophobicContact CD1-CG2 3.93Å; L65-V70 HydrophobicContact CD2-CG2 3.98Å; L65-V70 HydrophobicContact CG-CG2 4.26Å; E66-V70 PolarHBondContact O-N 2.89Å; H67-V70 WeakPolarHBondContact O-CB 3.4Å; H67-V70 PolarHBondContact O-N 2.67Å; H67-V70 VanDerWaalsContact O-N 3.15Å; V70-C72 VanDerWaalsContact C-N 3.34Å; V70-C72 PolarHBondContact O-N 3.27Å; V70-E73 PolarHBondContact O-N 3.49Å; V70-I74 HydrophobicContact CG1-CD1 3.96Å; V70-I74 WeakPolarHBondContact O-CG1 3.3Å; V70-I74 PolarHBondContact O-N 2.94Å
71	H	93.2	Very high	86.4	Confident	13 Å²	13	52.7 Å²	52.7	6%	0.06	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-43.8	177.2	-63.7	-51	0	0	0	111.6	H67 D68 Q69 I74 A75 N115 Y116	H67-H71 PolarHBondContact O-CD2 2.95Å; H67-H71 PolarHBondContact O-N 2.82Å; D68-H71 PolarHBondContact O-N 2.86Å; Q69-H71 VanDerWaalsContact C-N 3.35Å; Q69-H71 PolarHBondContact O-N 2.81Å; H71-I74 PolarHBondContact O-N 3.44Å; H71-A75 WeakPolarHBondContact O-CB 3.43Å; H71-A75 PolarHBondContact O-N 3.4Å; H71-N115 HydrophobicContact CB-CB 4.21Å; H71-Y116 PolarHBondContact CE1-OH 3.38Å; H71-Y116 AromaticContact ND1-CE2 3.79Å; H71-Y116 AromaticContact ND1-CZ 3.63Å; H71-Y116 PolarHBondContact ND1-OH 3.31Å
72	C	92.6	Very high	86.4	Confident	52 Å²	52	53.9 Å²	53.9	35%	0.351	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-42.6	176.7	-66.1	0	0	0	0	112.8	D68 Q69 V70 A75 Q76	D68-C72 PolarHBondContact O-N 2.99Å; D68-C72 PolarHBondContact O-SG 3.48Å; Q69-C72 PolarHBondContact O-N 2.89Å; V70-C72 VanDerWaalsContact C-N 3.34Å; V70-C72 PolarHBondContact O-N 3.27Å; C72-A75 WeakPolarHBondContact O-CB 3.48Å; C72-A75 PolarHBondContact O-N 3Å; C72-Q76 WeakPolarHBondContact O-CG 3.18Å; C72-Q76 PolarHBondContact O-N 2.81Å
73	E	92.4	Very high	86.7	Confident	17 Å²	17	56.9 Å²	56.9	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-39.5	178.4	-72.7	-170	-179.2	0	0	111.8	M1 E2 A3 Q69 V70 A75 Q76 L77	M1-E73 WeakPolarHBondContact CA-OE2 3.25Å; M1-E73 WeakPolarHBondContact CB-OE2 3.35Å; E2-E73 PolarHBondContact N-OE2 3.42Å; A3-E73 HydrophobicContact CB-CB 3.52Å; A3-E73 HydrophobicContact CB-CG 4.41Å; A3-E73 WeakPolarHBondContact CB-OE2 3.44Å; A3-E73 PolarHBondContact N-OE2 3.12Å; Q69-E73 PolarHBondContact NE2-OE1 3.34Å; Q69-E73 WeakPolarHBondContact O-CG 3.21Å; Q69-E73 PolarHBondContact O-N 3.36Å; V70-E73 PolarHBondContact O-N 3.49Å; E73-A75 VanDerWaalsContact C-N 3.32Å; E73-A75 PolarHBondContact O-N 2.73Å; E73-Q76 PolarHBondContact O-N 2.84Å; E73-L77 WeakPolarHBondContact O-CG 3.35Å; E73-L77 PolarHBondContact O-N 2.9Å
74	I	93.5	Very high	87.4	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-41.8	173.6	-65.1	166.4	0	0	0	110.5	Y37 T38 M59 V70 H71 Q76 L77 L78 Y116	Y37-I74 HydrophobicContact CD1-CD1 4.28Å; Y37-I74 HydrophobicContact CD1-CG1 4.39Å; Y37-I74 HydrophobicContact CE1-CD1 3.82Å; Y37-I74 HydrophobicContact CE1-CG1 3.96Å; T38-I74 HydrophobicContact CG2-CG2 4.3Å; M59-I74 HydrophobicContact CE-CD1 4.39Å; V70-I74 HydrophobicContact CG1-CD1 3.96Å; V70-I74 WeakPolarHBondContact O-CG1 3.3Å; V70-I74 PolarHBondContact O-N 2.94Å; H71-I74 PolarHBondContact O-N 3.44Å; I74-Q76 VanDerWaalsContact C-N 3.33Å; I74-Q76 PolarHBondContact O-N 3.41Å; I74-L77 PolarHBondContact O-N 3.21Å; I74-L78 VanDerWaalsContact O-CB 3.3Å; I74-L78 WeakPolarHBondContact O-CB 3.45Å; I74-L78 PolarHBondContact O-N 2.94Å; I74-Y116 HydrophobicContact CB-CE1 4.26Å; I74-Y116 HydrophobicContact CD1-CE1 4.19Å; I74-Y116 HydrophobicContact CG2-CD1 4.11Å; I74-Y116 HydrophobicContact CG2-CE1 3.66Å
75	A	94.9	Very high	88.5	Confident	9 Å²	9	52.6 Å²	52.6	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-43	177.6	0	0	0	0	0	112	H71 C72 E73 L78 N79 N115	H71-A75 WeakPolarHBondContact O-CB 3.43Å; H71-A75 PolarHBondContact O-N 3.4Å; C72-A75 WeakPolarHBondContact O-CB 3.48Å; C72-A75 PolarHBondContact O-N 3Å; E73-A75 VanDerWaalsContact C-N 3.32Å; E73-A75 PolarHBondContact O-N 2.73Å; A75-L78 PolarHBondContact O-N 3.18Å; A75-N79 VanDerWaalsContact O-CB 3.3Å; A75-N79 WeakPolarHBondContact O-CB 3.41Å; A75-N79 VanDerWaalsContact O-CG 3.26Å; A75-N79 PolarHBondContact O-N 3.34Å; A75-N79 PolarHBondContact O-ND2 3.48Å; A75-N115 VanDerWaalsContact CA-O 3.23Å; A75-N115 WeakPolarHBondContact CA-O 3.31Å; A75-N115 HydrophobicContact CB-CB 4.23Å; A75-N115 VanDerWaalsContact CB-O 3.29Å; A75-N115 WeakPolarHBondContact CB-O 3.44Å
76	Q	94.2	Very high	89.5	Confident	103 Å²	103	58.2 Å²	58.2	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-49.5	176	-72.3	175	-4.3	0	0	111.3	C72 E73 I74 L78 N79 D80	C72-Q76 WeakPolarHBondContact O-CG 3.18Å; C72-Q76 PolarHBondContact O-N 2.81Å; E73-Q76 PolarHBondContact O-N 2.84Å; I74-Q76 VanDerWaalsContact C-N 3.33Å; I74-Q76 PolarHBondContact O-N 3.41Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 PolarHBondContact O-N 2.95Å; Q76-N79 PolarHBondContact O-N 3.15Å; Q76-D80 VanDerWaalsContact O-CB 3.24Å; Q76-D80 WeakPolarHBondContact O-CB 3.34Å; Q76-D80 VanDerWaalsContact O-CG 3.32Å; Q76-D80 PolarHBondContact O-N 2.87Å
77	L	93.4	Very high	90.3	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-46	177.4	-70.7	169.7	0	0	0	111.7	M1 A3 L4 F34 E73 I74 C81 W375	M1-L77 HydrophobicContact CE-CD2 3.86Å; A3-L77 HydrophobicContact CB-CD1 4.31Å; L4-L77 HydrophobicContact CD1-CD2 4.41Å; F34-L77 HydrophobicContact CE2-CB 4.05Å; F34-L77 HydrophobicContact CZ-CB 4.07Å; E73-L77 WeakPolarHBondContact O-CG 3.35Å; E73-L77 PolarHBondContact O-N 2.9Å; I74-L77 PolarHBondContact O-N 3.21Å; L77-C81 WeakPolarHBondContact O-CB 3.45Å; L77-C81 PolarHBondContact O-N 2.8Å; L77-W375 HydrophobicContact CD2-CH2 4.3Å; L77-W375 HydrophobicContact CD2-CZ3 3.84Å
78	L	93.7	Very high	91.2	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-52.9	179.9	-177.2	67.2	0	0	0	110.9	F34 T38 I74 A75 Q76 D80 C81 S82 L92 Y116 N117	F34-L78 HydrophobicContact CE1-CD1 4.14Å; T38-L78 HydrophobicContact CG2-CD1 4.23Å; T38-L78 HydrophobicContact CG2-CD2 4.16Å; I74-L78 VanDerWaalsContact O-CB 3.3Å; I74-L78 WeakPolarHBondContact O-CB 3.45Å; I74-L78 PolarHBondContact O-N 2.94Å; A75-L78 PolarHBondContact O-N 3.18Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 PolarHBondContact O-N 2.95Å; L78-D80 PolarHBondContact O-N 3.19Å; L78-C81 PolarHBondContact O-N 3.01Å; L78-S82 WeakPolarHBondContact O-CB 3.48Å; L78-S82 PolarHBondContact O-N 3.34Å; L78-S82 PolarHBondContact O-OG 3.38Å; L78-S82 VanDerWaalsContact O-OG 3.07Å; L78-L92 HydrophobicContact CD1-CB 3.96Å; L78-L92 HydrophobicContact CD1-CD1 3.46Å; L78-L92 VanDerWaalsContact CD1-CD1 3.46Å; L78-L92 HydrophobicContact CD1-CG 4.37Å; L78-Y116 VanDerWaalsContact CD2-C 3.47Å; L78-Y116 VanDerWaalsContact CD2-O 3.29Å; L78-Y116 WeakPolarHBondContact CD2-O 3.23Å; L78-N117 HydrophobicContact CD2-CB 4.21Å
79	N	93.3	Very high	91.7	Very high	66 Å²	66	46.6 Å²	46.6	35%	0.353	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-40.1	-179.1	-73	-35.2	0	0	0	112	A75 Q76 K83 N117	A75-N79 VanDerWaalsContact O-CB 3.3Å; A75-N79 WeakPolarHBondContact O-CB 3.41Å; A75-N79 VanDerWaalsContact O-CG 3.26Å; A75-N79 PolarHBondContact O-N 3.34Å; A75-N79 PolarHBondContact O-ND2 3.48Å; Q76-N79 PolarHBondContact O-N 3.15Å; N79-K83 WeakPolarHBondContact O-CG 3.41Å; N79-K83 PolarHBondContact O-N 2.64Å; N79-N117 PolarHBondContact OD1-ND2 3.18Å
80	D	93.4	Very high	92	Very high	66 Å²	66	43.5 Å²	43.5	35%	0.353	24%	0.239	S	C	.	.	H	α-helix	trans	-69.2	-37.2	179.2	-79.4	-16.9	0	0	0	112.7	Q76 L78 K83 W375	Q76-D80 VanDerWaalsContact O-CB 3.24Å; Q76-D80 WeakPolarHBondContact O-CB 3.34Å; Q76-D80 VanDerWaalsContact O-CG 3.32Å; Q76-D80 PolarHBondContact O-N 2.87Å; L78-D80 PolarHBondContact O-N 3.19Å; D80-K83 WeakPolarHBondContact OD1-CE 3.36Å; D80-K83 IonicContact OD1-NZ 3.14Å; D80-K83 PolarHBondContact OD1-NZ 3.37Å; D80-W375 HydrophobicContact CB-CH2 3.75Å; D80-W375 HydrophobicContact CB-CZ2 3.77Å
81	C	93.3	Very high	92.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-69.8	-41.6	177.1	-176.7	0	0	0	0	111.4	F34 L77 L78 K83 I90 W375 I381	F34-C81 HydrophobicContact CE1-CB 4.44Å; F34-C81 HydrophobicContact CZ-CB 4.11Å; L77-C81 WeakPolarHBondContact O-CB 3.45Å; L77-C81 PolarHBondContact O-N 2.8Å; L78-C81 PolarHBondContact O-N 3.01Å; C81-K83 VanDerWaalsContact C-N 3.33Å; C81-K83 PolarHBondContact O-N 3.21Å; C81-I90 WeakPolarHBondContact O-CG2 3.3Å; C81-I90 VanDerWaalsContact SG-CD1 3.59Å; C81-W375 HydrophobicContact CB-CD2 4.5Å; C81-W375 HydrophobicContact CB-CH2 4.06Å; C81-W375 HydrophobicContact CB-CZ2 4.05Å; C81-W375 HydrophobicContact CB-CZ3 4.28Å; C81-I381 WeakPolarHBondContact SG-CD1 3.41Å
82	S	91.3	Very high	92.1	Very high	38 Å²	38	45 Å²	45	27%	0.266	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	7.8	-177.7	72.6	0	0	0	0	114.9	L78	L78-S82 WeakPolarHBondContact O-CB 3.48Å; L78-S82 PolarHBondContact O-N 3.34Å; L78-S82 PolarHBondContact O-OG 3.38Å; L78-S82 VanDerWaalsContact O-OG 3.07Å
83	K	91.7	Very high	92.1	Very high	114 Å²	114	42.8 Å²	42.8	50%	0.496	23%	0.233	S	C	.	.			trans	-56.4	127.8	175.8	-94.4	166.1	-172.3	172.2	0	110.1	N79 D80 C81 S85	N79-K83 WeakPolarHBondContact O-CG 3.41Å; N79-K83 PolarHBondContact O-N 2.64Å; D80-K83 WeakPolarHBondContact OD1-CE 3.36Å; D80-K83 IonicContact OD1-NZ 3.14Å; D80-K83 PolarHBondContact OD1-NZ 3.37Å; C81-K83 VanDerWaalsContact C-N 3.33Å; C81-K83 PolarHBondContact O-N 3.21Å; K83-S85 PolarHBondContact O-N 3.09Å
84	P	88.8	Confident	92.3	Very high	136 Å²	136	42.2 Å²	42.2	88%	0.883	23%	0.23	S	C	*	.			trans	-52.3	133	174.3	-27.2	34.8	0	0	0	110.9
85	S	87.2	Confident	92.5	Very high	36 Å²	36	43.8 Å²	43.8	25%	0.252	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-144.1	152	-177.9	75.8	0	0	0	0	111.5	K83 G87 V88 N227	K83-S85 PolarHBondContact O-N 3.09Å; S85-G87 PolarHBondContact O-N 3.23Å; S85-V88 PolarHBondContact OG-O 3.48Å; S85-V88 VanDerWaalsContact OG-O 3.07Å; S85-N227 WeakPolarHBondContact CB-ND2 3.49Å; S85-N227 PolarHBondContact OG-ND2 3.28Å
86	Q	85.9	Confident	92.6	Very high	140 Å²	140	43.4 Å²	43.4	65%	0.654	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	123.5	179.9	-167.4	-177.4	7.4	0	0	110.3	V88	Q86-V88 VanDerWaalsContact C-N 3.27Å; Q86-V88 PolarHBondContact O-N 3.08Å
87	G	90.2	Very high	92.8	Very high	19 Å²	19	38.5 Å²	38.5	20%	0.196	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	2.7	175	0	0	0	0	0	115.9	S85 M174	S85-G87 PolarHBondContact O-N 3.23Å; G87-M174 WeakPolarHBondContact O-CB 3.34Å; G87-M174 WeakPolarHBondContact O-CG 3.35Å; G87-M174 PolarHBondContact O-N 2.99Å
88	V	92.6	Very high	92.9	Very high	8 Å²	8	38 Å²	38	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124	166.8	175.3	0	0	0	0	109.1	S85 Q86 F171 K172 F225 N227 F230	S85-V88 PolarHBondContact OG-O 3.48Å; S85-V88 VanDerWaalsContact OG-O 3.07Å; Q86-V88 VanDerWaalsContact C-N 3.27Å; Q86-V88 PolarHBondContact O-N 3.08Å; V88-F171 HydrophobicContact CG1-CD2 4.34Å; V88-F171 HydrophobicContact CG1-CE2 3.52Å; V88-F171 HydrophobicContact CG1-CZ 3.66Å; V88-F171 HydrophobicContact CG2-CZ 4.42Å; V88-K172 WeakPolarHBondContact CA-O 3.42Å; V88-F225 HydrophobicContact CG2-CB 3.76Å; V88-F225 HydrophobicContact CG2-CG 4.4Å; V88-N227 HydrophobicContact CB-CB 4.14Å; V88-N227 HydrophobicContact CG2-CB 3.77Å; V88-F230 HydrophobicContact CB-CD2 4.18Å; V88-F230 HydrophobicContact CB-CE2 4.47Å; V88-F230 HydrophobicContact CG1-CD2 3.76Å; V88-F230 HydrophobicContact CG1-CE2 3.9Å; V88-F230 HydrophobicContact CG1-CG 4.22Å; V88-F230 HydrophobicContact CG1-CZ 4.49Å; V88-F230 HydrophobicContact CG2-CD2 4.19Å
89	E	92.6	Very high	92.9	Very high	58 Å²	58	38 Å²	38	27%	0.271	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.3	171.3	176.4	175.6	-161	0	0	108.7	I91 K145 K172	E89-I91 HydrophobicContact CG-CG1 4.39Å; E89-K145 WeakPolarHBondContact OE1-CE 3.43Å; E89-K145 IonicContact OE1-NZ 3.99Å; E89-K145 PolarHBondContact OE1-NZ 3.4Å; E89-K145 IonicContact OE2-NZ 3.21Å; E89-K172 HydrophobicContact CB-CB 4.34Å; E89-K172 PolarHBondContact N-O 3Å; E89-K172 PolarHBondContact O-N 2.87Å
90	I	93.7	Very high	92.9	Very high	18 Å²	18	39.3 Å²	39.3	9%	0.092	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.2	173.6	-170.3	178	0	0	0	109	C81 L92 Y170 F171 I381 F382	C81-I90 WeakPolarHBondContact O-CG2 3.3Å; C81-I90 VanDerWaalsContact SG-CD1 3.59Å; I90-L92 HydrophobicContact CD1-CD1 4.38Å; I90-L92 HydrophobicContact CD1-CD2 4.09Å; I90-L92 HydrophobicContact CD1-CG 4.26Å; I90-L92 HydrophobicContact CG1-CD2 4.18Å; I90-L92 HydrophobicContact CG1-CG 4.22Å; I90-Y170 CarbonylContact C-O 3.57Å; I90-Y170 WeakPolarHBondContact CA-O 3.41Å; I90-F171 HydrophobicContact CB-CD2 4.32Å; I90-F171 HydrophobicContact CD1-CD2 4.35Å; I90-F171 HydrophobicContact CG1-CD2 4.29Å; I90-I381 HydrophobicContact CD1-CD1 4.45Å; I90-I381 HydrophobicContact CD1-CG2 4.31Å; I90-F382 HydrophobicContact CD1-CE2 4Å; I90-F382 HydrophobicContact CD1-CZ 4.45Å; I90-F382 HydrophobicContact CG1-CE2 4.47Å
91	I	92.8	Very high	92.7	Very high	26 Å²	26	39.6 Å²	39.6	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123	176.3	-56.5	-177	0	0	0	107.1	E89 A93 Q143 K145 T169 Y170	E89-I91 HydrophobicContact CG-CG1 4.39Å; I91-A93 HydrophobicContact CG2-CB 4.22Å; I91-Q143 WeakPolarHBondContact CD1-O 3.32Å; I91-Q143 WeakPolarHBondContact CG2-O 3.21Å; I91-K145 HydrophobicContact CD1-CD 4.32Å; I91-K145 HydrophobicContact CD1-CG 4.26Å; I91-T169 CarbonylContact O-C 3.46Å; I91-T169 VanDerWaalsContact O-CA 3.26Å; I91-T169 WeakPolarHBondContact O-CA 3.25Å; I91-Y170 HydrophobicContact CD1-CD1 3.83Å; I91-Y170 HydrophobicContact CG1-CD1 4.13Å; I91-Y170 PolarHBondContact N-O 3.24Å; I91-Y170 PolarHBondContact O-N 2.76Å
92	L	93.7	Very high	92.6	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.12	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	91	175.7	-59.7	177.1	0	0	0	107	F34 N35 L78 I90 T169	F34-L92 HydrophobicContact CD1-CD1 4.08Å; F34-L92 HydrophobicContact CE1-CD1 3.64Å; N35-L92 HydrophobicContact CB-CD2 4.2Å; L78-L92 HydrophobicContact CD1-CB 3.96Å; L78-L92 HydrophobicContact CD1-CD1 3.46Å; L78-L92 VanDerWaalsContact CD1-CD1 3.46Å; L78-L92 HydrophobicContact CD1-CG 4.37Å; I90-L92 HydrophobicContact CD1-CD1 4.38Å; I90-L92 HydrophobicContact CD1-CD2 4.09Å; I90-L92 HydrophobicContact CD1-CG 4.26Å; I90-L92 HydrophobicContact CG1-CD2 4.18Å; I90-L92 HydrophobicContact CG1-CG 4.22Å; L92-T169 HydrophobicContact CD2-CG2 3.4Å; L92-T169 VanDerWaalsContact CD2-CG2 3.4Å
93	A	92.6	Very high	92.8	Very high	6 Å²	6	47.7 Å²	47.7	5%	0.05	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	107.7	-172.9	0	0	0	0	0	110.1	I91 W139 Q143 T168	I91-A93 HydrophobicContact CG2-CB 4.22Å; A93-W139 HydrophobicContact CB-CH2 4.06Å; A93-Q143 HydrophobicContact CB-CB 3.69Å; A93-Q143 HydrophobicContact CB-CG 4.14Å; A93-T168 VanDerWaalsContact CB-OG1 3.3Å; A93-T168 WeakPolarHBondContact CB-OG1 3.38Å; A93-T168 PolarHBondContact N-O 3.15Å; A93-T168 PolarHBondContact O-N 2.69Å; A93-T168 PolarHBondContact O-OG1 3.17Å
94	N	96.2	Very high	92.9	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.9	-179.3	-64.9	-55	0	0	0	110.3	N35 M42 A118 T166	N35-N94 PolarHBondContact ND2-OD1 2.88Å; N35-N94 PolarHBondContact OD1-ND2 2.97Å; N35-N94 PolarHBondContact OD1-OD1 2.85Å; M42-N94 HydrophobicContact CE-CB 3.74Å; M42-N94 HydrophobicContact SD-CB 4.03Å; N94-A118 HydrophobicContact CB-CB 3.84Å; N94-A118 WeakPolarHBondContact O-CA 3.29Å; N94-T166 WeakPolarHBondContact CA-O 3.47Å
95	R	97.1	Very high	93.3	Very high	36 Å²	36	39.1 Å²	39.1	14%	0.136	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	146.4	176.1	-177.6	163.4	-71.3	-151	0.1	110.3	F97 P119 E121 W139 T166	R95-F97 HydrophobicContact CB-CD2 4.33Å; R95-F97 HydrophobicContact CB-CE2 3.8Å; R95-F97 HydrophobicContact CB-CZ 4.25Å; R95-F97 HydrophobicContact CG-CD1 4.42Å; R95-F97 HydrophobicContact CG-CD2 3.96Å; R95-F97 HydrophobicContact CG-CE1 4.11Å; R95-F97 HydrophobicContact CG-CE2 3.59Å; R95-F97 HydrophobicContact CG-CG 4.38Å; R95-F97 HydrophobicContact CG-CZ 3.71Å; R95-P119 WeakPolarHBondContact CG-O 3.37Å; R95-E121 IonicContact CZ-OE2 2.7Å; R95-E121 IonicContact NH1-OE2 3.47Å; R95-E121 PolarHBondContact NH1-OE2 3.43Å; R95-W139 HydrophobicContact CB-CD2 4.49Å; R95-W139 HydrophobicContact CB-CE3 4.15Å; R95-W139 HydrophobicContact CB-CH2 3.32Å; R95-W139 HydrophobicContact CB-CZ2 3.69Å; R95-W139 HydrophobicContact CB-CZ3 3.59Å; R95-W139 HydrophobicContact CG-CH2 4.4Å; R95-W139 HydrophobicContact CG-CZ2 4.42Å; R95-W139 VanDerWaalsContact NE-CZ2 3.34Å; R95-W139 VanDerWaalsContact NH1-CD1 3.34Å; R95-T166 PolarHBondContact N-O 3.5Å; R95-T166 PolarHBondContact N-OG1 2.89Å; R95-T166 PolarHBondContact O-N 3.06Å; R95-T166 PolarHBondContact O-OG1 2.71Å
96	F	97.7	Very high	93.7	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	103.2	175.9	-166.7	-79.7	0	0	0	108.7	V98 F108 L112 P119 T120 E121 A163 V165 M315 I317	F96-V98 HydrophobicContact CD1-CB 4.34Å; F96-V98 HydrophobicContact CE1-CB 4.13Å; F96-V98 HydrophobicContact CE1-CG2 4.4Å; F96-F108 HydrophobicContact CD1-CE1 4.26Å; F96-F108 HydrophobicContact CD2-CE1 4.5Å; F96-F108 HydrophobicContact CD2-CZ 4.18Å; F96-F108 HydrophobicContact CE1-CE1 4.34Å; F96-F108 HydrophobicContact CE2-CZ 4.13Å; F96-F108 HydrophobicContact CG-CE1 4.35Å; F96-F108 HydrophobicContact CG-CZ 4.47Å; F96-F108 HydrophobicContact CZ-CE1 4.5Å; F96-F108 HydrophobicContact CZ-CZ 4.37Å; F96-L112 HydrophobicContact CB-CD2 3.72Å; F96-L112 HydrophobicContact CD2-CD2 4.37Å; F96-L112 HydrophobicContact CG-CD2 4.15Å; F96-P119 PolarHBondContact N-O 3.37Å; F96-T120 HydrophobicContact CB-CG2 4.28Å; F96-T120 CarbonylContact O-C 3.5Å; F96-T120 VanDerWaalsContact O-CA 3.29Å; F96-T120 WeakPolarHBondContact O-CA 3.4Å; F96-E121 PolarHBondContact O-N 3.07Å; F96-A163 HydrophobicContact CE1-CB 3.93Å; F96-A163 HydrophobicContact CZ-CB 3.89Å; F96-V165 HydrophobicContact CD2-CG2 3.72Å; F96-V165 HydrophobicContact CE2-CG2 3.77Å; F96-M315 HydrophobicContact CE1-CE 4.03Å; F96-M315 HydrophobicContact CZ-CE 3.85Å; F96-I317 HydrophobicContact CE2-CD1 3.68Å; F96-I317 HydrophobicContact CZ-CD1 3.71Å
97	F	97.3	Very high	94.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.5	175.5	-64.8	-86.1	0	0	0	109.3	R95 E121 V123 F125 I136 W139 A163 V164 T166	R95-F97 HydrophobicContact CB-CD2 4.33Å; R95-F97 HydrophobicContact CB-CE2 3.8Å; R95-F97 HydrophobicContact CB-CZ 4.25Å; R95-F97 HydrophobicContact CG-CD1 4.42Å; R95-F97 HydrophobicContact CG-CD2 3.96Å; R95-F97 HydrophobicContact CG-CE1 4.11Å; R95-F97 HydrophobicContact CG-CE2 3.59Å; R95-F97 HydrophobicContact CG-CG 4.38Å; R95-F97 HydrophobicContact CG-CZ 3.71Å; F97-E121 CarbonylContact C-O 3.27Å; F97-E121 WeakPolarHBondContact CA-O 3.46Å; F97-E121 HydrophobicContact CD1-CB 3.94Å; F97-E121 HydrophobicContact CD1-CG 4.28Å; F97-E121 HydrophobicContact CE1-CB 4.14Å; F97-E121 HydrophobicContact CE1-CG 4.33Å; F97-E121 VanDerWaalsContact CE1-OE2 3.27Å; F97-E121 WeakPolarHBondContact CE1-OE2 3.25Å; F97-V123 HydrophobicContact CB-CG2 4.27Å; F97-V123 HydrophobicContact CD1-CG1 3.83Å; F97-V123 HydrophobicContact CE1-CG1 4.46Å; F97-F125 HydrophobicContact CB-CZ 4.17Å; F97-I136 HydrophobicContact CB-CD1 4.48Å; F97-I136 HydrophobicContact CD1-CD1 4.41Å; F97-I136 HydrophobicContact CD1-CG1 3.75Å; F97-I136 HydrophobicContact CD2-CD1 4.38Å; F97-I136 HydrophobicContact CD2-CG1 4.04Å; F97-I136 HydrophobicContact CD2-CG2 4.4Å; F97-I136 HydrophobicContact CE1-CB 4.44Å; F97-I136 HydrophobicContact CE1-CG1 3.67Å; F97-I136 HydrophobicContact CE2-CB 4.38Å; F97-I136 HydrophobicContact CE2-CG1 3.98Å; F97-I136 HydrophobicContact CE2-CG2 3.86Å; F97-I136 HydrophobicContact CG-CD1 4.19Å; F97-I136 HydrophobicContact CG-CG1 3.9Å; F97-I136 HydrophobicContact CZ-CB 4.14Å; F97-I136 HydrophobicContact CZ-CG1 3.77Å; F97-I136 HydrophobicContact CZ-CG2 4.03Å; F97-W139 HydrophobicContact CE2-CE3 4.01Å; F97-W139 HydrophobicContact CE2-CZ3 4.3Å; F97-W139 HydrophobicContact CZ-CB 4.44Å; F97-W139 HydrophobicContact CZ-CD2 4.13Å; F97-W139 AromaticContact CZ-CE3 3.75Å; F97-W139 HydrophobicContact CZ-CE3 3.75Å; F97-W139 HydrophobicContact CZ-CG 4.42Å; F97-W139 HydrophobicContact CZ-CZ3 4.45Å; F97-A163 CarbonylContact O-C 3.53Å; F97-A163 WeakPolarHBondContact O-CA 3.44Å; F97-V164 HydrophobicContact CB-CB 4.44Å; F97-V164 PolarHBondContact N-O 3Å; F97-V164 PolarHBondContact O-N 2.82Å; F97-T166 HydrophobicContact CD2-CG2 3.83Å; F97-T166 HydrophobicContact CE2-CG2 3.61Å
98	V	95.7	Very high	94.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.7	-179.1	72.5	0	0	0	0	110.5	F96 V102 I104 E121 H122 V123 S162 A163 M315	F96-V98 HydrophobicContact CD1-CB 4.34Å; F96-V98 HydrophobicContact CE1-CB 4.13Å; F96-V98 HydrophobicContact CE1-CG2 4.4Å; V98-V102 HydrophobicContact CG2-CB 3.65Å; V98-V102 HydrophobicContact CG2-CG1 3.82Å; V98-V102 HydrophobicContact CG2-CG2 3.75Å; V98-I104 HydrophobicContact CB-CD1 4.41Å; V98-I104 HydrophobicContact CG1-CD1 3.4Å; V98-I104 VanDerWaalsContact CG1-CD1 3.4Å; V98-I104 HydrophobicContact CG1-CG1 3.94Å; V98-E121 PolarHBondContact N-O 3.26Å; V98-H122 WeakPolarHBondContact CG1-ND1 3.34Å; V98-H122 CarbonylContact O-C 3.52Å; V98-H122 WeakPolarHBondContact O-CA 3.27Å; V98-V123 PolarHBondContact O-N 3.3Å; V98-S162 CarbonylContact C-O 3.56Å; V98-S162 WeakPolarHBondContact CA-O 3.44Å; V98-S162 WeakPolarHBondContact CG2-O 3.13Å; V98-A163 HydrophobicContact CG2-CB 4.45Å; V98-M315 HydrophobicContact CG2-CE 4.11Å
99	A	94.3	Very high	94.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	142.3	173.4	0	0	0	0	0	111.7	N101 V102 H122 V123 F125 S162	A99-N101 VanDerWaalsContact CB-OD1 3.24Å; A99-N101 WeakPolarHBondContact CB-OD1 3.48Å; A99-N101 PolarHBondContact O-N 2.86Å; A99-N101 VanDerWaalsContact O-N 3.17Å; A99-V102 HydrophobicContact CB-CG2 4.17Å; A99-V102 PolarHBondContact O-N 2.78Å; A99-V102 VanDerWaalsContact O-N 3.12Å; A99-H122 PolarHBondContact O-ND1 3.36Å; A99-V123 CarbonylContact C-O 3.53Å; A99-V123 WeakPolarHBondContact CA-O 3.23Å; A99-F125 HydrophobicContact CB-CD2 4.09Å; A99-S162 PolarHBondContact N-O 3.15Å
100	Q	92.7	Very high	94.8	Very high	95 Å²	95	43.7 Å²	43.7	44%	0.444	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24	-174.6	66.7	-171.8	-0.4	0	0	115.1	V123 A124 T127	Q100-V123 PolarHBondContact N-O 3.18Å; Q100-A124 VanDerWaalsContact OE1-CB 3.25Å; Q100-T127 PolarHBondContact NE2-OG1 2.94Å
101	N	89.7	Confident	94.9	Very high	71 Å²	71	44.7 Å²	44.7	38%	0.38	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.9	179.6	57	-9.7	0	0	0	113.6	A99 E126	A99-N101 VanDerWaalsContact CB-OD1 3.24Å; A99-N101 WeakPolarHBondContact CB-OD1 3.48Å; A99-N101 PolarHBondContact O-N 2.86Å; A99-N101 VanDerWaalsContact O-N 3.17Å; N101-E126 PolarHBondContact ND2-OE1 3.36Å
102	V	91.8	Very high	95.1	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	20%	0.204	C	C	.	.			trans	-81.7	129.1	179.2	179.5	0	0	0	0	110.1	V98 A99 I104 H122 Y313 M315	V98-V102 HydrophobicContact CG2-CB 3.65Å; V98-V102 HydrophobicContact CG2-CG1 3.82Å; V98-V102 HydrophobicContact CG2-CG2 3.75Å; A99-V102 HydrophobicContact CB-CG2 4.17Å; A99-V102 PolarHBondContact O-N 2.78Å; A99-V102 VanDerWaalsContact O-N 3.12Å; V102-I104 HydrophobicContact CG1-CG1 4.5Å; V102-I104 PolarHBondContact O-N 3.18Å; V102-H122 PolarHBondContact O-CE1 3.25Å; V102-Y313 HydrophobicContact CG2-CD1 3.79Å; V102-Y313 HydrophobicContact CG2-CE1 4.1Å; V102-Y313 HydrophobicContact CG2-CG 4.01Å; V102-M315 HydrophobicContact CG1-SD 4.1Å
103	R	93.7	Very high	95.2	Very high	205 Å²	205	49.7 Å²	49.7	77%	0.774	23%	0.23	S	C	*	.			trans	-90.7	102.4	172.3	-173.8	177.3	179.6	175	-0.6	110	S310	R103-S310 VanDerWaalsContact O-CB 3.27Å; R103-S310 WeakPolarHBondContact O-CB 3.45Å; R103-S310 PolarHBondContact O-OG 3.15Å
104	I	95.3	Very high	95.3	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.041	26%	0.255	C	S	.	.			trans	-77	134.2	179.3	-54.7	169.4	0	0	0	110.8	V98 V102 F108 K109 T120 V309	V98-I104 HydrophobicContact CB-CD1 4.41Å; V98-I104 HydrophobicContact CG1-CD1 3.4Å; V98-I104 VanDerWaalsContact CG1-CD1 3.4Å; V98-I104 HydrophobicContact CG1-CG1 3.94Å; V102-I104 HydrophobicContact CG1-CG1 4.5Å; V102-I104 PolarHBondContact O-N 3.18Å; I104-F108 HydrophobicContact CG2-CB 4.38Å; I104-F108 HydrophobicContact CG2-CD1 3.68Å; I104-K109 HydrophobicContact CB-CG 4.47Å; I104-K109 HydrophobicContact CG2-CD 4.43Å; I104-K109 HydrophobicContact CG2-CG 3.72Å; I104-T120 HydrophobicContact CD1-CG2 4.1Å; I104-V309 CarbonylContact C-O 3.49Å; I104-V309 WeakPolarHBondContact CA-O 3.5Å; I104-V309 HydrophobicContact CG2-CG1 4.35Å
105	K	96.3	Very high	95.2	Very high	62 Å²	62	54.6 Å²	54.6	27%	0.27	26%	0.259	S	S	.	.			trans	-63.8	135.5	171.1	-70.2	-179.9	174.5	177	0	111.6	Q107 F108 K109 S307 N308 V309 D311	K105-Q107 PolarHBondContact O-N 3.44Å; K105-F108 HydrophobicContact CB-CB 4.46Å; K105-F108 PolarHBondContact O-N 3.11Å; K105-F108 VanDerWaalsContact O-N 3.14Å; K105-K109 PolarHBondContact O-N 3.18Å; K105-S307 VanDerWaalsContact CE-O 3.3Å; K105-S307 WeakPolarHBondContact CE-O 3.33Å; K105-S307 PolarHBondContact NZ-O 3.08Å; K105-N308 WeakPolarHBondContact CD-O 3.25Å; K105-V309 PolarHBondContact N-O 3Å; K105-D311 WeakPolarHBondContact CE-OD1 3.5Å; K105-D311 WeakPolarHBondContact CE-OD2 3.3Å; K105-D311 IonicContact NZ-OD1 3.96Å; K105-D311 PolarHBondContact NZ-OD1 2.95Å; K105-D311 IonicContact NZ-OD2 3.33Å; K105-D311 PolarHBondContact NZ-OD2 3.07Å
106	E	96.4	Very high	95.2	Very high	128 Å²	128	52.9 Å²	52.9	60%	0.598	25%	0.253	S	S	*	.	H	α-helix	trans	-61.7	-33.3	178.2	-67.8	-55.3	132.1	0	0	112.7	F108 K109 A110	E106-F108 VanDerWaalsContact C-N 3.33Å; E106-F108 PolarHBondContact O-N 3.38Å; E106-K109 PolarHBondContact O-N 2.77Å; E106-K109 IonicContact OE1-NZ 3.72Å; E106-K109 PolarHBondContact OE1-NZ 2.99Å; E106-A110 WeakPolarHBondContact O-CB 3.36Å; E106-A110 PolarHBondContact O-N 3.29Å
107	Q	95.3	Very high	95	Very high	128 Å²	128	56.8 Å²	56.8	60%	0.598	27%	0.273	S	S	*	.	H	α-helix	trans	-60.5	-42.1	175.3	-172.5	61	45.5	0	0	112.2	K105 A110 N111	K105-Q107 PolarHBondContact O-N 3.44Å; Q107-A110 PolarHBondContact O-N 2.95Å; Q107-N111 PolarHBondContact NE2-OD1 3.32Å; Q107-N111 WeakPolarHBondContact O-CB 3.29Å; Q107-N111 PolarHBondContact O-N 3.45Å; Q107-N111 PolarHBondContact O-OD1 3.42Å
108	F	96.1	Very high	94.9	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-44.4	177.4	179.4	-106.2	0	0	0	111.3	G46 F96 I104 K105 E106 A110 N111 L112 T120 N308 V309	G46-F108 VanDerWaalsContact CA-CE2 3.41Å; F96-F108 HydrophobicContact CD1-CE1 4.26Å; F96-F108 HydrophobicContact CD2-CE1 4.5Å; F96-F108 HydrophobicContact CD2-CZ 4.18Å; F96-F108 HydrophobicContact CE1-CE1 4.34Å; F96-F108 HydrophobicContact CE2-CZ 4.13Å; F96-F108 HydrophobicContact CG-CE1 4.35Å; F96-F108 HydrophobicContact CG-CZ 4.47Å; F96-F108 HydrophobicContact CZ-CE1 4.5Å; F96-F108 HydrophobicContact CZ-CZ 4.37Å; I104-F108 HydrophobicContact CG2-CB 4.38Å; I104-F108 HydrophobicContact CG2-CD1 3.68Å; K105-F108 HydrophobicContact CB-CB 4.46Å; K105-F108 PolarHBondContact O-N 3.11Å; K105-F108 VanDerWaalsContact O-N 3.14Å; E106-F108 VanDerWaalsContact C-N 3.33Å; E106-F108 PolarHBondContact O-N 3.38Å; F108-A110 VanDerWaalsContact C-N 3.3Å; F108-A110 PolarHBondContact O-N 3.39Å; F108-N111 PolarHBondContact O-N 2.97Å; F108-L112 HydrophobicContact CD1-CD1 4.29Å; F108-L112 HydrophobicContact CD1-CD2 4.25Å; F108-L112 HydrophobicContact CD2-CD1 3.68Å; F108-L112 HydrophobicContact CE1-CD1 3.96Å; F108-L112 HydrophobicContact CE1-CD2 3.51Å; F108-L112 HydrophobicContact CE1-CG 4.36Å; F108-L112 HydrophobicContact CE2-CD1 3.24Å; F108-L112 HydrophobicContact CE2-CD2 4.27Å; F108-L112 HydrophobicContact CE2-CG 4.38Å; F108-L112 HydrophobicContact CG-CD1 4.19Å; F108-L112 HydrophobicContact CZ-CD1 3.42Å; F108-L112 VanDerWaalsContact CZ-CD1 3.42Å; F108-L112 HydrophobicContact CZ-CD2 3.52Å; F108-L112 HydrophobicContact CZ-CG 4.11Å; F108-L112 WeakPolarHBondContact O-CB 3.35Å; F108-L112 WeakPolarHBondContact O-CD1 3.1Å; F108-L112 PolarHBondContact O-N 3.42Å; F108-T120 HydrophobicContact CD1-CG2 4.26Å; F108-T120 HydrophobicContact CE1-CG2 4.09Å; F108-N308 WeakPolarHBondContact CB-O 3.46Å; F108-V309 HydrophobicContact CD1-CB 4.44Å; F108-V309 HydrophobicContact CD1-CG1 3.99Å; F108-V309 HydrophobicContact CD1-CG2 4.25Å; F108-V309 HydrophobicContact CD2-CG2 4.03Å; F108-V309 HydrophobicContact CE1-CB 4.5Å; F108-V309 HydrophobicContact CE1-CG1 3.94Å; F108-V309 HydrophobicContact CE1-CG2 4Å; F108-V309 HydrophobicContact CE2-CG2 3.79Å; F108-V309 HydrophobicContact CG-CG2 4.25Å; F108-V309 HydrophobicContact CZ-CG2 3.76Å
109	K	97.1	Very high	94.8	Very high	57 Å²	57	59.3 Å²	59.3	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-43.2	174.7	-60.4	-177	-171.8	163.6	0	111.8	I104 K105 E106 K113 T120	I104-K109 HydrophobicContact CB-CG 4.47Å; I104-K109 HydrophobicContact CG2-CD 4.43Å; I104-K109 HydrophobicContact CG2-CG 3.72Å; K105-K109 PolarHBondContact O-N 3.18Å; E106-K109 PolarHBondContact O-N 2.77Å; E106-K109 IonicContact OE1-NZ 3.72Å; E106-K109 PolarHBondContact OE1-NZ 2.99Å; K109-K113 WeakPolarHBondContact O-CB 3.47Å; K109-K113 PolarHBondContact O-N 3.33Å; K109-T120 HydrophobicContact CG-CG2 4.18Å
110	A	96.1	Very high	94.9	Very high	43 Å²	43	60.7 Å²	60.7	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-44.6	178.3	0	0	0	0	0	111.6	E106 Q107 F108 K113 T114	E106-A110 WeakPolarHBondContact O-CB 3.36Å; E106-A110 PolarHBondContact O-N 3.29Å; Q107-A110 PolarHBondContact O-N 2.95Å; F108-A110 VanDerWaalsContact C-N 3.3Å; F108-A110 PolarHBondContact O-N 3.39Å; A110-K113 PolarHBondContact O-N 3.27Å; A110-T114 VanDerWaalsContact O-CB 3.27Å; A110-T114 WeakPolarHBondContact O-CB 3.28Å; A110-T114 PolarHBondContact O-N 3.08Å; A110-T114 PolarHBondContact O-OG1 2.86Å
111	N	94.9	Very high	95.1	Very high	39 Å²	39	57.7 Å²	57.7	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-46.8	177	-72.3	-3.3	0	0	0	111.7	Q107 F108 T114 N115	Q107-N111 PolarHBondContact NE2-OD1 3.32Å; Q107-N111 WeakPolarHBondContact O-CB 3.29Å; Q107-N111 PolarHBondContact O-N 3.45Å; Q107-N111 PolarHBondContact O-OD1 3.42Å; F108-N111 PolarHBondContact O-N 2.97Å; N111-T114 PolarHBondContact O-N 3.26Å; N111-N115 WeakPolarHBondContact O-CB 3.46Å; N111-N115 PolarHBondContact O-N 3.39Å; N111-N115 PolarHBondContact O-ND2 3.49Å
112	L	96.8	Very high	95.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-44	178.5	-100	65.4	0	0	0	112.3	M42 F96 F108 Y116 N117 A118 T120	M42-L112 HydrophobicContact CB-CD1 4.49Å; M42-L112 HydrophobicContact CB-CG 4.34Å; M42-L112 HydrophobicContact CG-CG 4.35Å; F96-L112 HydrophobicContact CB-CD2 3.72Å; F96-L112 HydrophobicContact CD2-CD2 4.37Å; F96-L112 HydrophobicContact CG-CD2 4.15Å; F108-L112 HydrophobicContact CD1-CD1 4.29Å; F108-L112 HydrophobicContact CD1-CD2 4.25Å; F108-L112 HydrophobicContact CD2-CD1 3.68Å; F108-L112 HydrophobicContact CE1-CD1 3.96Å; F108-L112 HydrophobicContact CE1-CD2 3.51Å; F108-L112 HydrophobicContact CE1-CG 4.36Å; F108-L112 HydrophobicContact CE2-CD1 3.24Å; F108-L112 HydrophobicContact CE2-CD2 4.27Å; F108-L112 HydrophobicContact CE2-CG 4.38Å; F108-L112 HydrophobicContact CG-CD1 4.19Å; F108-L112 HydrophobicContact CZ-CD1 3.42Å; F108-L112 VanDerWaalsContact CZ-CD1 3.42Å; F108-L112 HydrophobicContact CZ-CD2 3.52Å; F108-L112 HydrophobicContact CZ-CG 4.11Å; F108-L112 WeakPolarHBondContact O-CB 3.35Å; F108-L112 WeakPolarHBondContact O-CD1 3.1Å; F108-L112 PolarHBondContact O-N 3.42Å; L112-Y116 CarbonylContact O-C 3.59Å; L112-Y116 WeakPolarHBondContact O-CA 3.03Å; L112-Y116 WeakPolarHBondContact O-CB 3.35Å; L112-Y116 PolarHBondContact O-N 2.87Å; L112-Y116 VanDerWaalsContact O-N 3.1Å; L112-N117 PolarHBondContact O-N 2.9Å; L112-A118 CarbonylContact C-O 3.59Å; L112-A118 WeakPolarHBondContact CB-O 3.3Å; L112-A118 PolarHBondContact O-N 2.91Å; L112-A118 VanDerWaalsContact O-N 3.17Å; L112-T120 HydrophobicContact CD2-CG2 3.76Å
113	K	95.8	Very high	95.6	Very high	153 Å²	153	58.4 Å²	58.4	67%	0.665	29%	0.285	S	S	*	.	H	α-helix	trans	-63.7	-43.9	175.8	-174.5	179.2	178.9	-177.2	0	112	K109 A110 N117	K109-K113 WeakPolarHBondContact O-CB 3.47Å; K109-K113 PolarHBondContact O-N 3.33Å; A110-K113 PolarHBondContact O-N 3.27Å; K113-N117 PolarHBondContact O-N 3.31Å
114	T	94.8	Very high	95.6	Very high	92 Å²	92	49.5 Å²	49.5	56%	0.564	26%	0.256	S	S	*	.	H	α-helix	trans	-75.8	-44.7	-172.6	-55.5	0	0	0	0	112.1	A110 N111	A110-T114 VanDerWaalsContact O-CB 3.27Å; A110-T114 WeakPolarHBondContact O-CB 3.28Å; A110-T114 PolarHBondContact O-N 3.08Å; A110-T114 PolarHBondContact O-OG1 2.86Å; N111-T114 PolarHBondContact O-N 3.26Å
115	N	95.2	Very high	95.5	Very high	21 Å²	21	49.2 Å²	49.2	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-98.1	-20.5	-169.2	-61.4	-36.7	0	0	0	113.5	H71 A75 N111	H71-N115 HydrophobicContact CB-CB 4.21Å; A75-N115 VanDerWaalsContact CA-O 3.23Å; A75-N115 WeakPolarHBondContact CA-O 3.31Å; A75-N115 HydrophobicContact CB-CB 4.23Å; A75-N115 VanDerWaalsContact CB-O 3.29Å; A75-N115 WeakPolarHBondContact CB-O 3.44Å; N111-N115 WeakPolarHBondContact O-CB 3.46Å; N111-N115 PolarHBondContact O-N 3.39Å; N111-N115 PolarHBondContact O-ND2 3.49Å
116	Y	95.8	Very high	95.3	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-126.9	-1.5	-170.3	-61.6	-76.5	0	0	0	114.1	T38 G41 M42 H71 I74 L78 L112 A118	T38-Y116 HydrophobicContact CG2-CD1 3.68Å; T38-Y116 HydrophobicContact CG2-CE1 4.39Å; T38-Y116 WeakPolarHBondContact O-CD1 3.26Å; T38-Y116 WeakPolarHBondContact O-CE1 3.26Å; G41-Y116 WeakPolarHBondContact CA-OH 3.48Å; G41-Y116 PolarHBondContact O-OH 2.99Å; G41-Y116 VanDerWaalsContact O-OH 3.06Å; M42-Y116 HydrophobicContact CG-CD1 3.84Å; M42-Y116 HydrophobicContact CG-CD2 4.01Å; M42-Y116 HydrophobicContact CG-CE1 4.47Å; M42-Y116 HydrophobicContact CG-CG 3.58Å; H71-Y116 PolarHBondContact CE1-OH 3.38Å; H71-Y116 AromaticContact ND1-CE2 3.79Å; H71-Y116 AromaticContact ND1-CZ 3.63Å; H71-Y116 PolarHBondContact ND1-OH 3.31Å; I74-Y116 HydrophobicContact CB-CE1 4.26Å; I74-Y116 HydrophobicContact CD1-CE1 4.19Å; I74-Y116 HydrophobicContact CG2-CD1 4.11Å; I74-Y116 HydrophobicContact CG2-CE1 3.66Å; L78-Y116 VanDerWaalsContact CD2-C 3.47Å; L78-Y116 VanDerWaalsContact CD2-O 3.29Å; L78-Y116 WeakPolarHBondContact CD2-O 3.23Å; L112-Y116 CarbonylContact O-C 3.59Å; L112-Y116 WeakPolarHBondContact O-CA 3.03Å; L112-Y116 WeakPolarHBondContact O-CB 3.35Å; L112-Y116 PolarHBondContact O-N 2.87Å; L112-Y116 VanDerWaalsContact O-N 3.1Å; Y116-A118 PolarHBondContact O-N 3.06Å
117	N	93.8	Very high	95.1	Very high	82 Å²	82	49.1 Å²	49.1	44%	0.439	26%	0.262	S	S	.	.			trans	48.3	31.5	-170.4	-65.4	-31.3	0	0	0	112.4	L78 N79 L112 K113	L78-N117 HydrophobicContact CD2-CB 4.21Å; N79-N117 PolarHBondContact OD1-ND2 3.18Å; L112-N117 PolarHBondContact O-N 2.9Å; K113-N117 PolarHBondContact O-N 3.31Å
118	A	95	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.			trans	-116.7	110.3	-169.6	0	0	0	0	0	109.8	M42 N94 L112 Y116	M42-A118 HydrophobicContact CG-CB 4.39Å; M42-A118 HydrophobicContact SD-CB 3.21Å; M42-A118 WeakPolarHBondContact SD-CB 3.43Å; N94-A118 HydrophobicContact CB-CB 3.84Å; N94-A118 WeakPolarHBondContact O-CA 3.29Å; L112-A118 CarbonylContact C-O 3.59Å; L112-A118 WeakPolarHBondContact CB-O 3.3Å; L112-A118 PolarHBondContact O-N 2.91Å; L112-A118 VanDerWaalsContact O-N 3.17Å; Y116-A118 PolarHBondContact O-N 3.06Å
119	P	93.9	Very high	95	Very high	54 Å²	54	49 Å²	49	35%	0.351	27%	0.266	S	S	.	.			trans	-74.4	159.7	172	29.2	-32.5	0	0	0	111.3	R95 F96	R95-P119 WeakPolarHBondContact CG-O 3.37Å; F96-P119 PolarHBondContact N-O 3.37Å
120	T	96.2	Very high	95	Very high	30 Å²	30	49.9 Å²	49.9	18%	0.184	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143	166.8	59.5	0	0	0	0	110	F96 I104 F108 K109 L112	F96-T120 HydrophobicContact CB-CG2 4.28Å; F96-T120 CarbonylContact O-C 3.5Å; F96-T120 VanDerWaalsContact O-CA 3.29Å; F96-T120 WeakPolarHBondContact O-CA 3.4Å; I104-T120 HydrophobicContact CD1-CG2 4.1Å; F108-T120 HydrophobicContact CD1-CG2 4.26Å; F108-T120 HydrophobicContact CE1-CG2 4.09Å; K109-T120 HydrophobicContact CG-CG2 4.18Å; L112-T120 HydrophobicContact CD2-CG2 3.76Å
121	E	96.8	Very high	95	Very high	32 Å²	32	49 Å²	49	15%	0.15	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.1	175.2	-176.9	167.6	-165.2	0	0	111.4	R95 F96 F97 V98 V123 R135	R95-E121 IonicContact CZ-OE2 2.7Å; R95-E121 IonicContact NH1-OE2 3.47Å; R95-E121 PolarHBondContact NH1-OE2 3.43Å; F96-E121 PolarHBondContact O-N 3.07Å; F97-E121 CarbonylContact C-O 3.27Å; F97-E121 WeakPolarHBondContact CA-O 3.46Å; F97-E121 HydrophobicContact CD1-CB 3.94Å; F97-E121 HydrophobicContact CD1-CG 4.28Å; F97-E121 HydrophobicContact CE1-CB 4.14Å; F97-E121 HydrophobicContact CE1-CG 4.33Å; F97-E121 VanDerWaalsContact CE1-OE2 3.27Å; F97-E121 WeakPolarHBondContact CE1-OE2 3.25Å; V98-E121 PolarHBondContact N-O 3.26Å; E121-V123 HydrophobicContact CG-CG1 4.32Å; E121-R135 IonicContact OE1-CZ 2.68Å; E121-R135 IonicContact OE1-NE 3.49Å; E121-R135 PolarHBondContact OE1-NE 3.31Å; E121-R135 IonicContact OE1-NH2 3.48Å; E121-R135 PolarHBondContact OE1-NH2 2.96Å; E121-R135 IonicContact OE2-NE 4Å; E121-R135 IonicContact OE2-NH2 2.76Å
122	H	96.3	Very high	95.1	Very high	80 Å²	80	47.3 Å²	47.3	37%	0.37	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.1	172.2	-71.8	-70.8	0	0	0	110.2	V98 A99 V102	V98-H122 WeakPolarHBondContact CG1-ND1 3.34Å; V98-H122 CarbonylContact O-C 3.52Å; V98-H122 WeakPolarHBondContact O-CA 3.27Å; A99-H122 PolarHBondContact O-ND1 3.36Å; V102-H122 PolarHBondContact O-CE1 3.25Å
123	V	95.5	Very high	95.1	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.2	175.8	-64.2	0	0	0	0	111.2	F97 V98 A99 Q100 E121 F125 R135	F97-V123 HydrophobicContact CB-CG2 4.27Å; F97-V123 HydrophobicContact CD1-CG1 3.83Å; F97-V123 HydrophobicContact CE1-CG1 4.46Å; V98-V123 PolarHBondContact O-N 3.3Å; A99-V123 CarbonylContact C-O 3.53Å; A99-V123 WeakPolarHBondContact CA-O 3.23Å; Q100-V123 PolarHBondContact N-O 3.18Å; E121-V123 HydrophobicContact CG-CG1 4.32Å; V123-F125 VanDerWaalsContact C-N 3.33Å; V123-F125 HydrophobicContact CG2-CD1 3.87Å; V123-F125 HydrophobicContact CG2-CD2 3.71Å; V123-F125 HydrophobicContact CG2-CE1 3.43Å; V123-F125 VanDerWaalsContact CG2-CE1 3.43Å; V123-F125 HydrophobicContact CG2-CE2 3.27Å; V123-F125 HydrophobicContact CG2-CG 4Å; V123-F125 HydrophobicContact CG2-CZ 3.13Å; V123-F125 PolarHBondContact O-N 2.73Å; V123-F125 VanDerWaalsContact O-N 3.14Å; V123-R135 HydrophobicContact CG1-CG 4.4Å
124	A	94.7	Very high	95.1	Very high	19 Å²	19	45 Å²	45	16%	0.157	25%	0.25	C	C	.	.			trans	-90.3	53.9	-168.7	0	0	0	0	0	112.5	Q100 E126 T127 D128 S132	Q100-A124 VanDerWaalsContact OE1-CB 3.25Å; A124-E126 PolarHBondContact O-N 2.91Å; A124-E126 VanDerWaalsContact O-N 3.17Å; A124-T127 PolarHBondContact O-N 3.45Å; A124-D128 HydrophobicContact CB-CB 4.18Å; A124-D128 CarbonylContact O-C 3.58Å; A124-D128 VanDerWaalsContact O-C 3.27Å; A124-D128 WeakPolarHBondContact O-CA 3.39Å; A124-D128 PolarHBondContact O-N 3.26Å; A124-S132 PolarHBondContact N-OG 3.41Å; A124-S132 VanDerWaalsContact N-OG 3.15Å; A124-S132 PolarHBondContact O-OG 3.19Å
125	F	93.4	Very high	95.3	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.1	-174.9	-65.7	-53.9	0	0	0	114	F97 A99 V123 I129 S132 I136 L157 T161 V164	F97-F125 HydrophobicContact CB-CZ 4.17Å; A99-F125 HydrophobicContact CB-CD2 4.09Å; V123-F125 VanDerWaalsContact C-N 3.33Å; V123-F125 HydrophobicContact CG2-CD1 3.87Å; V123-F125 HydrophobicContact CG2-CD2 3.71Å; V123-F125 HydrophobicContact CG2-CE1 3.43Å; V123-F125 VanDerWaalsContact CG2-CE1 3.43Å; V123-F125 HydrophobicContact CG2-CE2 3.27Å; V123-F125 HydrophobicContact CG2-CG 4Å; V123-F125 HydrophobicContact CG2-CZ 3.13Å; V123-F125 PolarHBondContact O-N 2.73Å; V123-F125 VanDerWaalsContact O-N 3.14Å; F125-I129 WeakPolarHBondContact O-CG1 3.4Å; F125-S132 PolarHBondContact N-OG 3.15Å; F125-I136 HydrophobicContact CE1-CD1 4.02Å; F125-I136 HydrophobicContact CZ-CD1 4.29Å; F125-L157 HydrophobicContact CD1-CD1 4.2Å; F125-L157 HydrophobicContact CE1-CD1 3.9Å; F125-L157 HydrophobicContact CE1-CD2 4.11Å; F125-T161 WeakPolarHBondContact CB-O 3.18Å; F125-T161 HydrophobicContact CD1-CG2 3.92Å; F125-T161 HydrophobicContact CD2-CG2 3.77Å; F125-T161 WeakPolarHBondContact CD2-O 3.42Å; F125-T161 HydrophobicContact CE1-CG2 3.9Å; F125-T161 HydrophobicContact CE2-CG2 3.73Å; F125-T161 HydrophobicContact CG-CG2 3.86Å; F125-T161 HydrophobicContact CZ-CG2 3.79Å; F125-V164 HydrophobicContact CE1-CG2 4.38Å; F125-V164 HydrophobicContact CZ-CB 4.36Å; F125-V164 HydrophobicContact CZ-CG2 3.88Å
126	E	90.7	Very high	95.3	Very high	82 Å²	82	43.4 Å²	43.4	38%	0.383	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-32.8	-178.5	-67.7	174.8	-166.8	0	0	113.6	N101 A124	N101-E126 PolarHBondContact ND2-OE1 3.36Å; A124-E126 PolarHBondContact O-N 2.91Å; A124-E126 VanDerWaalsContact O-N 3.17Å
127	T	93.3	Very high	95.3	Very high	106 Å²	106	43.8 Å²	43.8	65%	0.65	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-23	-169.6	55.6	0	0	0	0	113.7	Q100 A124	Q100-T127 PolarHBondContact NE2-OG1 2.94Å; A124-T127 PolarHBondContact O-N 3.45Å
128	D	95.1	Very high	95.5	Very high	83 Å²	83	44.8 Å²	44.8	44%	0.444	24%	0.236	S	C	.	.			trans	-151.7	77.6	-178.5	-175.3	11.8	0	0	0	111.2	A124 G131 S132	A124-D128 HydrophobicContact CB-CB 4.18Å; A124-D128 CarbonylContact O-C 3.58Å; A124-D128 VanDerWaalsContact O-C 3.27Å; A124-D128 WeakPolarHBondContact O-CA 3.39Å; A124-D128 PolarHBondContact O-N 3.26Å; D128-G131 WeakPolarHBondContact OD1-CA 3.43Å; D128-G131 PolarHBondContact OD1-N 3Å; D128-G131 WeakPolarHBondContact OD2-CA 3.45Å; D128-S132 WeakPolarHBondContact O-CB 3.21Å; D128-S132 PolarHBondContact O-N 3.42Å; D128-S132 PolarHBondContact O-OG 2.77Å
129	I	94.8	Very high	95.6	Very high	46 Å²	46	45 Å²	45	24%	0.236	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-47.4	179	-66	166	0	0	0	111.3	F125 S132 R133 L157 N159	F125-I129 WeakPolarHBondContact O-CG1 3.4Å; I129-S132 WeakPolarHBondContact O-CB 3.42Å; I129-S132 PolarHBondContact O-N 2.89Å; I129-R133 WeakPolarHBondContact O-CB 3.36Å; I129-R133 PolarHBondContact O-N 3.49Å; I129-L157 HydrophobicContact CG2-CB 3.78Å; I129-N159 WeakPolarHBondContact CD1-OD1 3.47Å; I129-N159 VanDerWaalsContact CG1-OD1 3.27Å; I129-N159 WeakPolarHBondContact CG1-OD1 3.33Å
130	E	96	Very high	95.6	Very high	75 Å²	75	42.4 Å²	42.4	35%	0.35	22%	0.221	S	C	.	.	H	α-helix	trans	-71.1	-37.1	-174.7	-76.1	-62.4	138.3	0	0	111.6	S132 R133 N134 H154	E130-S132 VanDerWaalsContact C-N 3.34Å; E130-R133 PolarHBondContact O-N 2.82Å; E130-R133 IonicContact OE1-NE 3.6Å; E130-R133 IonicContact OE2-CZ 2.74Å; E130-R133 IonicContact OE2-NE 2.62Å; E130-R133 PolarHBondContact OE2-NE 3.26Å; E130-R133 IonicContact OE2-NH2 3.67Å; E130-R133 PolarHBondContact OE2-NH2 3.45Å; E130-N134 WeakPolarHBondContact O-CB 3.06Å; E130-N134 VanDerWaalsContact O-CG 3.24Å; E130-N134 PolarHBondContact O-N 3.15Å; E130-N134 PolarHBondContact O-ND2 3.09Å; E130-H154 IonicContact OE1-ND1 3.45Å; E130-H154 PolarHBondContact OE1-ND1 3.44Å; E130-H154 IonicContact OE2-CE1 3.43Å; E130-H154 PolarHBondContact OE2-CE1 2.74Å; E130-H154 IonicContact OE2-ND1 3.34Å; E130-H154 PolarHBondContact OE2-ND1 3.26Å
131	G	96.5	Very high	95.5	Very high	24 Å²	24	42.5 Å²	42.5	25%	0.247	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-41.9	169	0	0	0	0	0	112.1	D128 N134 R135	D128-G131 WeakPolarHBondContact OD1-CA 3.43Å; D128-G131 PolarHBondContact OD1-N 3Å; D128-G131 WeakPolarHBondContact OD2-CA 3.45Å; G131-N134 PolarHBondContact O-N 3.35Å; G131-R135 VanDerWaalsContact O-CB 3.31Å; G131-R135 WeakPolarHBondContact O-CB 3.46Å; G131-R135 PolarHBondContact O-N 3.17Å
132	S	96.4	Very high	95.5	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.028	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-43.5	174.8	-59	0	0	0	0	112.1	A124 F125 D128 I129 E130 R135 I136	A124-S132 PolarHBondContact N-OG 3.41Å; A124-S132 VanDerWaalsContact N-OG 3.15Å; A124-S132 PolarHBondContact O-OG 3.19Å; F125-S132 PolarHBondContact N-OG 3.15Å; D128-S132 WeakPolarHBondContact O-CB 3.21Å; D128-S132 PolarHBondContact O-N 3.42Å; D128-S132 PolarHBondContact O-OG 2.77Å; I129-S132 WeakPolarHBondContact O-CB 3.42Å; I129-S132 PolarHBondContact O-N 2.89Å; E130-S132 VanDerWaalsContact C-N 3.34Å; S132-R135 PolarHBondContact O-N 2.92Å; S132-I136 VanDerWaalsContact O-CG1 3.32Å; S132-I136 WeakPolarHBondContact O-CG1 3.38Å; S132-I136 PolarHBondContact O-N 3.24Å
133	R	96.4	Very high	95.3	Very high	19 Å²	19	45.8 Å²	45.8	7%	0.072	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-50.8	174.9	-171.3	-170.9	63.8	64.2	11.6	111.1	I129 E130 R135 I136 N137 I152 H154 L157	I129-R133 WeakPolarHBondContact O-CB 3.36Å; I129-R133 PolarHBondContact O-N 3.49Å; E130-R133 PolarHBondContact O-N 2.82Å; E130-R133 IonicContact OE1-NE 3.6Å; E130-R133 IonicContact OE2-CZ 2.74Å; E130-R133 IonicContact OE2-NE 2.62Å; E130-R133 PolarHBondContact OE2-NE 3.26Å; E130-R133 IonicContact OE2-NH2 3.67Å; E130-R133 PolarHBondContact OE2-NH2 3.45Å; R133-R135 VanDerWaalsContact C-N 3.31Å; R133-R135 PolarHBondContact O-N 3.31Å; R133-I136 PolarHBondContact O-N 3.44Å; R133-N137 PolarHBondContact NH1-ND2 3.2Å; R133-N137 VanDerWaalsContact NH1-ND2 3.12Å; R133-N137 WeakPolarHBondContact O-CB 3.46Å; R133-N137 PolarHBondContact O-N 3.15Å; R133-N137 PolarHBondContact O-ND2 3.15Å; R133-I152 WeakPolarHBondContact CD-O 3.36Å; R133-I152 HydrophobicContact CG-CB 3.97Å; R133-I152 HydrophobicContact CG-CG2 3.8Å; R133-I152 WeakPolarHBondContact CG-O 3.32Å; R133-H154 PolarHBondContact NH2-CE1 3.39Å; R133-L157 HydrophobicContact CB-CD1 4.01Å
134	N	97.3	Very high	95	Very high	84 Å²	84	45.4 Å²	45.4	45%	0.449	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-41.8	178.1	-74.9	-30.2	0	0	0	111.4	E130 G131 N137 Q138	E130-N134 WeakPolarHBondContact O-CB 3.06Å; E130-N134 VanDerWaalsContact O-CG 3.24Å; E130-N134 PolarHBondContact O-N 3.15Å; E130-N134 PolarHBondContact O-ND2 3.09Å; G131-N134 PolarHBondContact O-N 3.35Å; N134-N137 PolarHBondContact O-N 3.43Å; N134-Q138 VanDerWaalsContact O-CB 3.23Å; N134-Q138 WeakPolarHBondContact O-CB 3.32Å; N134-Q138 PolarHBondContact O-N 3.48Å
135	R	97.1	Very high	94.8	Very high	80 Å²	80	50.8 Å²	50.8	30%	0.302	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-45.5	178.5	178.4	57.1	-173.6	148	3.9	112.3	E121 V123 G131 S132 R133 W139	E121-R135 IonicContact OE1-CZ 2.68Å; E121-R135 IonicContact OE1-NE 3.49Å; E121-R135 PolarHBondContact OE1-NE 3.31Å; E121-R135 IonicContact OE1-NH2 3.48Å; E121-R135 PolarHBondContact OE1-NH2 2.96Å; E121-R135 IonicContact OE2-NE 4Å; E121-R135 IonicContact OE2-NH2 2.76Å; V123-R135 HydrophobicContact CG1-CG 4.4Å; G131-R135 VanDerWaalsContact O-CB 3.31Å; G131-R135 WeakPolarHBondContact O-CB 3.46Å; G131-R135 PolarHBondContact O-N 3.17Å; S132-R135 PolarHBondContact O-N 2.92Å; R133-R135 VanDerWaalsContact C-N 3.31Å; R133-R135 PolarHBondContact O-N 3.31Å; R135-W139 WeakPolarHBondContact O-CB 3.37Å; R135-W139 PolarHBondContact O-N 3.34Å
136	I	96.3	Very high	94.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-48.6	177.4	-65.4	165.6	0	0	0	110.1	F97 F125 S132 R133 Q138 W139 V140 I152 L157 T166	F97-I136 HydrophobicContact CB-CD1 4.48Å; F97-I136 HydrophobicContact CD1-CD1 4.41Å; F97-I136 HydrophobicContact CD1-CG1 3.75Å; F97-I136 HydrophobicContact CD2-CD1 4.38Å; F97-I136 HydrophobicContact CD2-CG1 4.04Å; F97-I136 HydrophobicContact CD2-CG2 4.4Å; F97-I136 HydrophobicContact CE1-CB 4.44Å; F97-I136 HydrophobicContact CE1-CG1 3.67Å; F97-I136 HydrophobicContact CE2-CB 4.38Å; F97-I136 HydrophobicContact CE2-CG1 3.98Å; F97-I136 HydrophobicContact CE2-CG2 3.86Å; F97-I136 HydrophobicContact CG-CD1 4.19Å; F97-I136 HydrophobicContact CG-CG1 3.9Å; F97-I136 HydrophobicContact CZ-CB 4.14Å; F97-I136 HydrophobicContact CZ-CG1 3.77Å; F97-I136 HydrophobicContact CZ-CG2 4.03Å; F125-I136 HydrophobicContact CE1-CD1 4.02Å; F125-I136 HydrophobicContact CZ-CD1 4.29Å; S132-I136 VanDerWaalsContact O-CG1 3.32Å; S132-I136 WeakPolarHBondContact O-CG1 3.38Å; S132-I136 PolarHBondContact O-N 3.24Å; R133-I136 PolarHBondContact O-N 3.44Å; I136-Q138 PolarHBondContact O-N 2.7Å; I136-W139 PolarHBondContact O-N 3.5Å; I136-V140 HydrophobicContact CG2-CG2 4.43Å; I136-V140 WeakPolarHBondContact O-CG2 3.27Å; I136-V140 PolarHBondContact O-N 3.01Å; I136-I152 HydrophobicContact CB-CG1 4.18Å; I136-I152 HydrophobicContact CD1-CG1 4.46Å; I136-I152 HydrophobicContact CG2-CD1 4.33Å; I136-I152 HydrophobicContact CG2-CG1 3.6Å; I136-L157 HydrophobicContact CD1-CD1 4.2Å; I136-T166 HydrophobicContact CG2-CG2 4.07Å
137	N	96.4	Very high	94.6	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-41.9	179.6	-77.1	-24.8	0	0	0	112.7	R133 N134 W139 V140 S141 L151 I152	R133-N137 PolarHBondContact NH1-ND2 3.2Å; R133-N137 VanDerWaalsContact NH1-ND2 3.12Å; R133-N137 WeakPolarHBondContact O-CB 3.46Å; R133-N137 PolarHBondContact O-N 3.15Å; R133-N137 PolarHBondContact O-ND2 3.15Å; N134-N137 PolarHBondContact O-N 3.43Å; N137-W139 PolarHBondContact O-N 2.87Å; N137-V140 PolarHBondContact O-N 3.14Å; N137-S141 WeakPolarHBondContact O-CB 3.42Å; N137-S141 PolarHBondContact O-N 3.45Å; N137-L151 PolarHBondContact OD1-N 2.88Å; N137-I152 PolarHBondContact ND2-O 2.95Å; N137-I152 PolarHBondContact OD1-N 3.42Å
138	Q	97.1	Very high	94.3	Very high	102 Å²	102	45.4 Å²	45.4	48%	0.477	23%	0.23	S	C	.	.	H	α-helix	trans	-58.9	-48.6	174.4	-179.5	-175	-9.4	0	0	110.7	N134 I136 V140 S141 E142	N134-Q138 VanDerWaalsContact O-CB 3.23Å; N134-Q138 WeakPolarHBondContact O-CB 3.32Å; N134-Q138 PolarHBondContact O-N 3.48Å; I136-Q138 PolarHBondContact O-N 2.7Å; Q138-V140 PolarHBondContact O-N 3.38Å; Q138-S141 WeakPolarHBondContact O-CB 3.42Å; Q138-S141 PolarHBondContact O-N 3.18Å; Q138-E142 HydrophobicContact CG-CG 4.49Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.38Å; Q138-E142 PolarHBondContact NE2-OE1 3.5Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.06Å
139	W	96.8	Very high	94.1	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-45.8	178.9	174.2	70.4	0	0	0	111.9	A93 R95 F97 R135 I136 N137 S141 E142 Q143 T166	A93-W139 HydrophobicContact CB-CH2 4.06Å; R95-W139 HydrophobicContact CB-CD2 4.49Å; R95-W139 HydrophobicContact CB-CE3 4.15Å; R95-W139 HydrophobicContact CB-CH2 3.32Å; R95-W139 HydrophobicContact CB-CZ2 3.69Å; R95-W139 HydrophobicContact CB-CZ3 3.59Å; R95-W139 HydrophobicContact CG-CH2 4.4Å; R95-W139 HydrophobicContact CG-CZ2 4.42Å; R95-W139 VanDerWaalsContact NE-CZ2 3.34Å; R95-W139 VanDerWaalsContact NH1-CD1 3.34Å; F97-W139 HydrophobicContact CE2-CE3 4.01Å; F97-W139 HydrophobicContact CE2-CZ3 4.3Å; F97-W139 HydrophobicContact CZ-CB 4.44Å; F97-W139 HydrophobicContact CZ-CD2 4.13Å; F97-W139 AromaticContact CZ-CE3 3.75Å; F97-W139 HydrophobicContact CZ-CE3 3.75Å; F97-W139 HydrophobicContact CZ-CG 4.42Å; F97-W139 HydrophobicContact CZ-CZ3 4.45Å; R135-W139 WeakPolarHBondContact O-CB 3.37Å; R135-W139 PolarHBondContact O-N 3.34Å; I136-W139 PolarHBondContact O-N 3.5Å; N137-W139 PolarHBondContact O-N 2.87Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 3Å; W139-E142 PolarHBondContact O-N 2.88Å; W139-Q143 HydrophobicContact CD2-CG 3.99Å; W139-Q143 HydrophobicContact CG-CG 4.45Å; W139-Q143 HydrophobicContact CH2-CG 4.1Å; W139-Q143 HydrophobicContact CZ2-CG 3.4Å; W139-Q143 VanDerWaalsContact CZ2-CG 3.4Å; W139-Q143 VanDerWaalsContact NE1-CG 3.29Å; W139-Q143 WeakPolarHBondContact O-CG 3.36Å; W139-Q143 PolarHBondContact O-N 3.06Å; W139-T166 WeakPolarHBondContact CZ3-OG1 3.42Å
140	V	94.3	Very high	94	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-44.3	176.9	172.2	0	0	0	0	110.9	I136 N137 Q138 Q143 T144 I148 L151 T168	I136-V140 HydrophobicContact CG2-CG2 4.43Å; I136-V140 WeakPolarHBondContact O-CG2 3.27Å; I136-V140 PolarHBondContact O-N 3.01Å; N137-V140 PolarHBondContact O-N 3.14Å; Q138-V140 PolarHBondContact O-N 3.38Å; V140-Q143 PolarHBondContact O-N 3.24Å; V140-T144 HydrophobicContact CG1-CG2 4.36Å; V140-T144 WeakPolarHBondContact O-CB 3.46Å; V140-T144 WeakPolarHBondContact O-CG2 3.45Å; V140-T144 PolarHBondContact O-N 2.94Å; V140-T144 PolarHBondContact O-OG1 3.28Å; V140-I148 HydrophobicContact CG1-CB 3.69Å; V140-I148 HydrophobicContact CG1-CG2 3.46Å; V140-I148 VanDerWaalsContact CG1-CG2 3.46Å; V140-L151 HydrophobicContact CG1-CB 4.29Å; V140-L151 HydrophobicContact CG2-CB 4.14Å; V140-L151 HydrophobicContact CG2-CD2 3.74Å; V140-T168 HydrophobicContact CG1-CG2 3.83Å; V140-T168 HydrophobicContact CG2-CG2 4.19Å
141	S	94.7	Very high	93.9	Very high	32 Å²	32	46.6 Å²	46.6	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-46.1	176.7	-174.2	0	0	0	0	111.5	N137 Q138 W139 Q143 T144 K145 G146 I148	N137-S141 WeakPolarHBondContact O-CB 3.42Å; N137-S141 PolarHBondContact O-N 3.45Å; Q138-S141 WeakPolarHBondContact O-CB 3.42Å; Q138-S141 PolarHBondContact O-N 3.18Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 3Å; S141-Q143 PolarHBondContact O-N 3.46Å; S141-T144 CarbonylContact O-C 3.52Å; S141-T144 PolarHBondContact O-N 3.35Å; S141-K145 PolarHBondContact O-N 3.08Å; S141-G146 PolarHBondContact O-N 2.93Å; S141-I148 WeakPolarHBondContact CA-O 3Å; S141-I148 PolarHBondContact N-O 2.73Å
142	E	95.7	Very high	93.7	Very high	99 Å²	99	45.4 Å²	45.4	46%	0.463	22%	0.22	S	C	.	.	H	α-helix	trans	-59.5	-47.9	176.2	-72.7	167.1	-176.2	0	0	111.9	Q138 W139 T144 K145	Q138-E142 HydrophobicContact CG-CG 4.49Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.38Å; Q138-E142 PolarHBondContact NE2-OE1 3.5Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.06Å; W139-E142 PolarHBondContact O-N 2.88Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.01Å; E142-K145 PolarHBondContact O-N 3.44Å
143	Q	92.1	Very high	93.5	Very high	82 Å²	82	47.6 Å²	47.6	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-66.5	-35.4	-179.7	-63.8	-44.1	-70.7	0	0	112.5	I91 A93 W139 V140 S141 K145	I91-Q143 WeakPolarHBondContact CD1-O 3.32Å; I91-Q143 WeakPolarHBondContact CG2-O 3.21Å; A93-Q143 HydrophobicContact CB-CB 3.69Å; A93-Q143 HydrophobicContact CB-CG 4.14Å; W139-Q143 HydrophobicContact CD2-CG 3.99Å; W139-Q143 HydrophobicContact CG-CG 4.45Å; W139-Q143 HydrophobicContact CH2-CG 4.1Å; W139-Q143 HydrophobicContact CZ2-CG 3.4Å; W139-Q143 VanDerWaalsContact CZ2-CG 3.4Å; W139-Q143 VanDerWaalsContact NE1-CG 3.29Å; W139-Q143 WeakPolarHBondContact O-CG 3.36Å; W139-Q143 PolarHBondContact O-N 3.06Å; V140-Q143 PolarHBondContact O-N 3.24Å; S141-Q143 PolarHBondContact O-N 3.46Å; Q143-K145 VanDerWaalsContact C-N 3.32Å
144	T	90.1	Very high	93.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	14.5	-177.8	63.7	0	0	0	0	112.8	V140 S141 E142 G146 Q147 I148	V140-T144 HydrophobicContact CG1-CG2 4.36Å; V140-T144 WeakPolarHBondContact O-CB 3.46Å; V140-T144 WeakPolarHBondContact O-CG2 3.45Å; V140-T144 PolarHBondContact O-N 2.94Å; V140-T144 PolarHBondContact O-OG1 3.28Å; S141-T144 CarbonylContact O-C 3.52Å; S141-T144 PolarHBondContact O-N 3.35Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.01Å; T144-G146 PolarHBondContact O-N 3.3Å; T144-Q147 VanDerWaalsContact O-CB 3.28Å; T144-Q147 WeakPolarHBondContact O-CB 3.4Å; T144-Q147 WeakPolarHBondContact O-CG 3.49Å; T144-Q147 PolarHBondContact O-N 2.84Å; T144-I148 HydrophobicContact CG2-CB 4.17Å; T144-I148 HydrophobicContact CG2-CD1 3.99Å; T144-I148 HydrophobicContact CG2-CG1 4.1Å; T144-I148 PolarHBondContact OG1-N 3.31Å
145	K	90.5	Very high	93	Very high	133 Å²	133	51.7 Å²	51.7	58%	0.578	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	42.9	179.2	-55.7	-179.5	176.7	-178.2	0	112.7	E89 I91 S141 E142 Q143 Q147	E89-K145 WeakPolarHBondContact OE1-CE 3.43Å; E89-K145 IonicContact OE1-NZ 3.99Å; E89-K145 PolarHBondContact OE1-NZ 3.4Å; E89-K145 IonicContact OE2-NZ 3.21Å; I91-K145 HydrophobicContact CD1-CD 4.32Å; I91-K145 HydrophobicContact CD1-CG 4.26Å; S141-K145 PolarHBondContact O-N 3.08Å; E142-K145 PolarHBondContact O-N 3.44Å; Q143-K145 VanDerWaalsContact C-N 3.32Å; K145-Q147 PolarHBondContact O-N 3.1Å; K145-Q147 PolarHBondContact O-NE2 3.17Å
146	G	90.8	Very high	92.6	Very high	26 Å²	26	48.9 Å²	48.9	27%	0.268	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	5.2	-179.7	0	0	0	0	0	115.1	S141 T144 Q149	S141-G146 PolarHBondContact O-N 2.93Å; T144-G146 PolarHBondContact O-N 3.3Å; G146-Q149 WeakPolarHBondContact O-CG 3.15Å; G146-Q149 PolarHBondContact O-NE2 3.35Å
147	Q	88.1	Confident	92.4	Very high	48 Å²	48	49.4 Å²	49.4	22%	0.224	27%	0.265	C	S	.	.	S	Bend	trans	-74.2	-37.5	-179.9	-58.8	-46.7	-62.4	0	0	112	T144 K145 Y170 I325	T144-Q147 VanDerWaalsContact O-CB 3.28Å; T144-Q147 WeakPolarHBondContact O-CB 3.4Å; T144-Q147 WeakPolarHBondContact O-CG 3.49Å; T144-Q147 PolarHBondContact O-N 2.84Å; K145-Q147 PolarHBondContact O-N 3.1Å; K145-Q147 PolarHBondContact O-NE2 3.17Å; Q147-Y170 HydrophobicContact CB-CD2 4.21Å; Q147-Y170 HydrophobicContact CB-CE2 4.31Å; Q147-Y170 HydrophobicContact CG-CD1 4.4Å; Q147-Y170 HydrophobicContact CG-CD2 4.05Å; Q147-Y170 HydrophobicContact CG-CE1 4.09Å; Q147-Y170 HydrophobicContact CG-CE2 3.73Å; Q147-Y170 HydrophobicContact CG-CG 4.35Å; Q147-I325 HydrophobicContact CB-CD1 4.02Å; Q147-I325 WeakPolarHBondContact O-CD1 3.38Å
148	I	88.7	Confident	92.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.284	C	S	.	.			trans	-109.7	98.2	172.6	-56.1	179.8	0	0	0	108.7	V140 S141 T144 T168 K323 I325	V140-I148 HydrophobicContact CG1-CB 3.69Å; V140-I148 HydrophobicContact CG1-CG2 3.46Å; V140-I148 VanDerWaalsContact CG1-CG2 3.46Å; S141-I148 WeakPolarHBondContact CA-O 3Å; S141-I148 PolarHBondContact N-O 2.73Å; T144-I148 HydrophobicContact CG2-CB 4.17Å; T144-I148 HydrophobicContact CG2-CD1 3.99Å; T144-I148 HydrophobicContact CG2-CG1 4.1Å; T144-I148 PolarHBondContact OG1-N 3.31Å; I148-T168 HydrophobicContact CD1-CG2 4.37Å; I148-K323 HydrophobicContact CD1-CB 4.18Å; I148-K323 HydrophobicContact CD1-CG 4.1Å; I148-K323 HydrophobicContact CG2-CD 3.88Å; I148-K323 HydrophobicContact CG2-CG 4.37Å; I148-I325 HydrophobicContact CB-CD1 4.46Å; I148-I325 HydrophobicContact CD1-CD1 4.3Å; I148-I325 HydrophobicContact CD1-CG1 4.19Å; I148-I325 HydrophobicContact CG1-CD1 3.39Å; I148-I325 HydrophobicContact CG1-CG1 3.82Å
149	Q	91	Very high	91.7	Very high	142 Å²	142	51.8 Å²	51.8	66%	0.664	28%	0.284	S	S	*	.			trans	-86.3	-35.2	-179.5	-61.2	-178.6	21	0	0	112.8	G146	G146-Q149 WeakPolarHBondContact O-CG 3.15Å; G146-Q149 PolarHBondContact O-NE2 3.35Å
150	E	91.7	Very high	91.3	Very high	86 Å²	86	58.2 Å²	58.2	40%	0.402	32%	0.319	S	S	.	.			trans	-126.5	113.9	177.3	-169.1	178.3	-115.9	0	0	110	K323	E150-K323 PolarHBondContact O-NZ 2.91Å
151	L	93.2	Very high	91	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	32%	0.32	C	S	.	.	S	Bend	trans	-99	-49.9	166.6	-179.4	69.1	0	0	0	109.6	N137 V140 T166 T168 T283 M321 K323	N137-L151 PolarHBondContact OD1-N 2.88Å; V140-L151 HydrophobicContact CG1-CB 4.29Å; V140-L151 HydrophobicContact CG2-CB 4.14Å; V140-L151 HydrophobicContact CG2-CD2 3.74Å; L151-T166 HydrophobicContact CD2-CG2 3.56Å; L151-T168 HydrophobicContact CD1-CG2 3.75Å; L151-T168 HydrophobicContact CD2-CG2 3.68Å; L151-T168 HydrophobicContact CG-CG2 4.26Å; L151-T283 HydrophobicContact CD1-CG2 3.65Å; L151-T283 HydrophobicContact CG-CG2 4.25Å; L151-T283 VanDerWaalsContact O-CB 3.25Å; L151-T283 WeakPolarHBondContact O-CB 3.06Å; L151-T283 WeakPolarHBondContact O-CG2 3.12Å; L151-T283 PolarHBondContact O-OG1 3.21Å; L151-M321 HydrophobicContact CD1-CB 4.34Å; L151-M321 HydrophobicContact CD2-CB 3.96Å; L151-M321 HydrophobicContact CG-CB 4.14Å; L151-K323 HydrophobicContact CD1-CB 3.59Å
152	I	93.4	Very high	90.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-98.8	107.8	-177.7	-47.9	-60.4	0	0	0	109	R133 I136 N137 L157 M321	R133-I152 WeakPolarHBondContact CD-O 3.36Å; R133-I152 HydrophobicContact CG-CB 3.97Å; R133-I152 HydrophobicContact CG-CG2 3.8Å; R133-I152 WeakPolarHBondContact CG-O 3.32Å; I136-I152 HydrophobicContact CB-CG1 4.18Å; I136-I152 HydrophobicContact CD1-CG1 4.46Å; I136-I152 HydrophobicContact CG2-CD1 4.33Å; I136-I152 HydrophobicContact CG2-CG1 3.6Å; N137-I152 PolarHBondContact ND2-O 2.95Å; N137-I152 PolarHBondContact OD1-N 3.42Å; I152-L157 HydrophobicContact CG2-CD1 3.95Å; I152-L157 HydrophobicContact CG2-CD2 4.07Å; I152-L157 HydrophobicContact CG2-CG 3.66Å; I152-M321 HydrophobicContact CD1-CB 4.01Å; I152-M321 HydrophobicContact CD1-CE 4.05Å; I152-M321 HydrophobicContact CD1-CG 3.49Å; I152-M321 VanDerWaalsContact CD1-CG 3.49Å; I152-M321 HydrophobicContact CD1-SD 4.02Å
153	S	92.7	Very high	90.7	Very high	49 Å²	49	52.8 Å²	52.8	34%	0.343	29%	0.291	S	S	.	.			trans	-74	163.7	174.3	61.3	0	0	0	0	112	S156	S153-S156 VanDerWaalsContact O-CB 3.24Å; S153-S156 WeakPolarHBondContact O-CB 3.37Å; S153-S156 PolarHBondContact O-N 3Å; S153-S156 VanDerWaalsContact O-N 3.17Å; S153-S156 PolarHBondContact O-OG 3.4Å; S153-S156 PolarHBondContact OG-OG 3.43Å
154	H	92	Very high	91	Very high	124 Å²	124	48.9 Å²	48.9	57%	0.574	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	140.6	172.4	-69.3	-77.3	0	0	0	112.1	E130 R133 S156	E130-H154 IonicContact OE1-ND1 3.45Å; E130-H154 PolarHBondContact OE1-ND1 3.44Å; E130-H154 IonicContact OE2-CE1 3.43Å; E130-H154 PolarHBondContact OE2-CE1 2.74Å; E130-H154 IonicContact OE2-ND1 3.34Å; E130-H154 PolarHBondContact OE2-ND1 3.26Å; R133-H154 PolarHBondContact NH2-CE1 3.39Å; H154-S156 PolarHBondContact O-N 3.25Å
155	G	90.2	Very high	91.3	Very high	66 Å²	66	48.9 Å²	48.9	68%	0.68	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	4.2	-178.6	0	0	0	0	0	115.2
156	S	89.1	Confident	91.6	Very high	20 Å²	20	42.6 Å²	42.6	14%	0.14	25%	0.245	C	C	.	.	S	Bend	trans	-79.9	-17.5	176.7	-73.9	0	0	0	0	114.7	S153 H154 K285	S153-S156 VanDerWaalsContact O-CB 3.24Å; S153-S156 WeakPolarHBondContact O-CB 3.37Å; S153-S156 PolarHBondContact O-N 3Å; S153-S156 VanDerWaalsContact O-N 3.17Å; S153-S156 PolarHBondContact O-OG 3.4Å; S153-S156 PolarHBondContact OG-OG 3.43Å; H154-S156 PolarHBondContact O-N 3.25Å; S156-K285 WeakPolarHBondContact OG-CE 3.49Å; S156-K285 PolarHBondContact OG-NZ 3.48Å
157	L	92.7	Very high	91.8	Very high	11 Å²	11	41.3 Å²	41.3	6%	0.058	23%	0.233	C	C	.	.			trans	-110.9	152.7	174.9	-58.4	175.7	0	0	0	109.5	F125 I129 R133 I136 I152 T161 V164	F125-L157 HydrophobicContact CD1-CD1 4.2Å; F125-L157 HydrophobicContact CE1-CD1 3.9Å; F125-L157 HydrophobicContact CE1-CD2 4.11Å; I129-L157 HydrophobicContact CG2-CB 3.78Å; R133-L157 HydrophobicContact CB-CD1 4.01Å; I136-L157 HydrophobicContact CD1-CD1 4.2Å; I152-L157 HydrophobicContact CG2-CD1 3.95Å; I152-L157 HydrophobicContact CG2-CD2 4.07Å; I152-L157 HydrophobicContact CG2-CG 3.66Å; L157-T161 HydrophobicContact CD2-CG2 4.3Å; L157-V164 HydrophobicContact CD2-CG2 3.8Å
158	T	90.9	Very high	92.1	Very high	74 Å²	74	39 Å²	39	45%	0.454	22%	0.222	S	C	.	.			trans	-133	162.7	179.4	60.7	0	0	0	0	110.1	D160 T161	T158-D160 PolarHBondContact O-N 3.14Å; T158-D160 VanDerWaalsContact O-N 3.15Å; T158-T161 PolarHBondContact N-OG1 2.92Å; T158-T161 VanDerWaalsContact N-OG1 3.13Å; T158-T161 WeakPolarHBondContact O-CB 3.05Å; T158-T161 PolarHBondContact O-N 2.89Å; T158-T161 PolarHBondContact O-OG1 3.41Å; T158-T161 PolarHBondContact OG1-OG1 2.71Å
159	N	88.2	Confident	92.2	Very high	88 Å²	88	39 Å²	39	47%	0.471	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-28	174.6	-71.6	-10	0	0	0	112.4	I129 T161	I129-N159 WeakPolarHBondContact CD1-OD1 3.47Å; I129-N159 VanDerWaalsContact CG1-OD1 3.27Å; I129-N159 WeakPolarHBondContact CG1-OD1 3.33Å; N159-T161 PolarHBondContact O-N 3.01Å
160	D	87	Confident	92.3	Very high	141 Å²	141	32.7 Å²	32.7	75%	0.754	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	3.7	177	-55.8	-33.8	0	0	0	113.7	T158 S162	T158-D160 PolarHBondContact O-N 3.14Å; T158-D160 VanDerWaalsContact O-N 3.15Å; D160-S162 PolarHBondContact O-N 3.42Å
161	T	88.1	Confident	92.4	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.037	17%	0.173	C	C	.	.			trans	-69.8	113.3	179.3	-66.5	0	0	0	0	110.2	F125 L157 T158 N159 V164 S318	F125-T161 WeakPolarHBondContact CB-O 3.18Å; F125-T161 HydrophobicContact CD1-CG2 3.92Å; F125-T161 HydrophobicContact CD2-CG2 3.77Å; F125-T161 WeakPolarHBondContact CD2-O 3.42Å; F125-T161 HydrophobicContact CE1-CG2 3.9Å; F125-T161 HydrophobicContact CE2-CG2 3.73Å; F125-T161 HydrophobicContact CG-CG2 3.86Å; F125-T161 HydrophobicContact CZ-CG2 3.79Å; L157-T161 HydrophobicContact CD2-CG2 4.3Å; T158-T161 PolarHBondContact N-OG1 2.92Å; T158-T161 VanDerWaalsContact N-OG1 3.13Å; T158-T161 WeakPolarHBondContact O-CB 3.05Å; T158-T161 PolarHBondContact O-N 2.89Å; T158-T161 PolarHBondContact O-OG1 3.41Å; T158-T161 PolarHBondContact OG1-OG1 2.71Å; N159-T161 PolarHBondContact O-N 3.01Å; T161-V164 HydrophobicContact CG2-CG2 3.58Å; T161-S318 WeakPolarHBondContact CA-OG 3.42Å
162	S	90.1	Very high	92.3	Very high	10 Å²	10	31.9 Å²	31.9	7%	0.07	19%	0.187	C	C	.	.			trans	-90.8	-38.5	177.6	-45.5	0	0	0	0	112.7	V98 A99 D160 S318	V98-S162 CarbonylContact C-O 3.56Å; V98-S162 WeakPolarHBondContact CA-O 3.44Å; V98-S162 WeakPolarHBondContact CG2-O 3.13Å; A99-S162 PolarHBondContact N-O 3.15Å; D160-S162 PolarHBondContact O-N 3.42Å; S162-S318 PolarHBondContact N-OG 2.9Å
163	A	95.4	Very high	92.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	144.4	179	0	0	0	0	0	112.8	F96 F97 V98 M315 I317 S318	F96-A163 HydrophobicContact CE1-CB 3.93Å; F96-A163 HydrophobicContact CZ-CB 3.89Å; F97-A163 CarbonylContact O-C 3.53Å; F97-A163 WeakPolarHBondContact O-CA 3.44Å; V98-A163 HydrophobicContact CG2-CB 4.45Å; A163-M315 HydrophobicContact CB-CE 3.58Å; A163-I317 HydrophobicContact CB-CD1 4.02Å; A163-S318 VanDerWaalsContact O-CB 3.32Å; A163-S318 WeakPolarHBondContact O-CB 3.35Å; A163-S318 PolarHBondContact O-N 2.94Å; A163-S318 PolarHBondContact O-OG 3.17Å
164	V	96.8	Very high	92.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.8	175	178.2	0	0	0	0	108.7	F97 F125 L157 T161 T166 M321	F97-V164 HydrophobicContact CB-CB 4.44Å; F97-V164 PolarHBondContact N-O 3Å; F97-V164 PolarHBondContact O-N 2.82Å; F125-V164 HydrophobicContact CE1-CG2 4.38Å; F125-V164 HydrophobicContact CZ-CB 4.36Å; F125-V164 HydrophobicContact CZ-CG2 3.88Å; L157-V164 HydrophobicContact CD2-CG2 3.8Å; T161-V164 HydrophobicContact CG2-CG2 3.58Å; V164-T166 HydrophobicContact CG1-CG2 4.37Å; V164-M321 HydrophobicContact CG1-CG 3.75Å
165	V	97.6	Very high	92.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.8	174.8	-172.6	0	0	0	0	108.4	A39 M42 V43 F96 I317 D319 V320 M321	A39-V165 HydrophobicContact CB-CG1 3.88Å; M42-V165 HydrophobicContact CE-CG1 3.33Å; V43-V165 HydrophobicContact CG2-CG2 3.83Å; F96-V165 HydrophobicContact CD2-CG2 3.72Å; F96-V165 HydrophobicContact CE2-CG2 3.77Å; V165-I317 HydrophobicContact CG2-CD1 4.05Å; V165-I317 HydrophobicContact CG2-CG2 4.2Å; V165-D319 PolarHBondContact N-O 2.88Å; V165-V320 HydrophobicContact CB-CG1 4.28Å; V165-V320 HydrophobicContact CB-CG2 4.16Å; V165-V320 HydrophobicContact CG1-CG1 4.46Å; V165-V320 CarbonylContact O-C 3.56Å; V165-V320 WeakPolarHBondContact O-CA 3.24Å; V165-M321 PolarHBondContact O-N 2.93Å
166	T	96.6	Very high	92.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.3	177.3	60.8	0	0	0	0	110.2	N94 R95 F97 I136 W139 L151 V164	N94-T166 WeakPolarHBondContact CA-O 3.47Å; R95-T166 PolarHBondContact N-O 3.5Å; R95-T166 PolarHBondContact N-OG1 2.89Å; R95-T166 PolarHBondContact O-N 3.06Å; R95-T166 PolarHBondContact O-OG1 2.71Å; F97-T166 HydrophobicContact CD2-CG2 3.83Å; F97-T166 HydrophobicContact CE2-CG2 3.61Å; I136-T166 HydrophobicContact CG2-CG2 4.07Å; W139-T166 WeakPolarHBondContact CZ3-OG1 3.42Å; L151-T166 HydrophobicContact CD2-CG2 3.56Å; V164-T166 HydrophobicContact CG1-CG2 4.37Å
167	A	94.8	Very high	92.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	86.5	174.9	0	0	0	0	0	108.7	N35 A39 M321 H322 K323	N35-A167 VanDerWaalsContact ND2-C 3.32Å; N35-A167 WeakPolarHBondContact ND2-CA 3.36Å; A39-A167 HydrophobicContact CB-CB 3.73Å; A167-M321 PolarHBondContact N-O 2.95Å; A167-H322 WeakPolarHBondContact O-CA 3.39Å; A167-H322 PolarHBondContact O-ND1 2.79Å; A167-K323 PolarHBondContact O-N 2.94Å
168	T	93.2	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.5	-176.4	52.5	0	0	0	0	111.8	N35 A93 V140 I148 L151 K323	N35-T168 PolarHBondContact ND2-N 2.58Å; A93-T168 VanDerWaalsContact CB-OG1 3.3Å; A93-T168 WeakPolarHBondContact CB-OG1 3.38Å; A93-T168 PolarHBondContact N-O 3.15Å; A93-T168 PolarHBondContact O-N 2.69Å; A93-T168 PolarHBondContact O-OG1 3.17Å; V140-T168 HydrophobicContact CG1-CG2 3.83Å; V140-T168 HydrophobicContact CG2-CG2 4.19Å; I148-T168 HydrophobicContact CD1-CG2 4.37Å; L151-T168 HydrophobicContact CD1-CG2 3.75Å; L151-T168 HydrophobicContact CD2-CG2 3.68Å; L151-T168 HydrophobicContact CG-CG2 4.26Å; T168-K323 WeakPolarHBondContact CA-O 3.38Å
169	T	92.4	Very high	92.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.9	-174.2	53.8	0	0	0	0	112.2	N35 I91 L92 K323 A324 I325 F382	N35-T169 HydrophobicContact CB-CG2 3.21Å; N35-T169 VanDerWaalsContact ND2-CG2 3.27Å; N35-T169 WeakPolarHBondContact ND2-CG2 3.45Å; I91-T169 CarbonylContact O-C 3.46Å; I91-T169 VanDerWaalsContact O-CA 3.26Å; I91-T169 WeakPolarHBondContact O-CA 3.25Å; L92-T169 HydrophobicContact CD2-CG2 3.4Å; L92-T169 VanDerWaalsContact CD2-CG2 3.4Å; T169-K323 PolarHBondContact N-O 3.37Å; T169-A324 CarbonylContact O-C 3.39Å; T169-A324 VanDerWaalsContact O-CA 3.28Å; T169-A324 WeakPolarHBondContact O-CA 3.48Å; T169-A324 WeakPolarHBondContact OG1-CA 3.19Å; T169-A324 WeakPolarHBondContact OG1-CB 3.1Å; T169-I325 PolarHBondContact O-N 2.98Å; T169-F382 WeakPolarHBondContact OG1-CE1 3.46Å
170	Y	92.5	Very high	92.1	Very high	9 Å²	9	24.9 Å²	24.9	4%	0.035	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.4	173	167.9	-118.8	0	0	0	109.5	I90 I91 Q147 K172 I325 E327	I90-Y170 CarbonylContact C-O 3.57Å; I90-Y170 WeakPolarHBondContact CA-O 3.41Å; I91-Y170 HydrophobicContact CD1-CD1 3.83Å; I91-Y170 HydrophobicContact CG1-CD1 4.13Å; I91-Y170 PolarHBondContact N-O 3.24Å; I91-Y170 PolarHBondContact O-N 2.76Å; Q147-Y170 HydrophobicContact CB-CD2 4.21Å; Q147-Y170 HydrophobicContact CB-CE2 4.31Å; Q147-Y170 HydrophobicContact CG-CD1 4.4Å; Q147-Y170 HydrophobicContact CG-CD2 4.05Å; Q147-Y170 HydrophobicContact CG-CE1 4.09Å; Q147-Y170 HydrophobicContact CG-CE2 3.73Å; Q147-Y170 HydrophobicContact CG-CG 4.35Å; Y170-K172 HydrophobicContact CE1-CB 4.06Å; Y170-K172 HydrophobicContact CE2-CB 4.27Å; Y170-K172 WeakPolarHBondContact OH-CB 3.48Å; Y170-K172 WeakPolarHBondContact OH-CD 3.28Å; Y170-I325 HydrophobicContact CD2-CB 3.96Å; Y170-I325 HydrophobicContact CD2-CG2 3.74Å; Y170-I325 HydrophobicContact CE2-CG2 4.05Å; Y170-E327 HydrophobicContact CE2-CB 4.37Å
171	F	93.2	Very high	92	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.6	173.4	-176.3	-81	0	0	0	109.5	V88 I90 F225 F230 I325 F326 E327 I373 F382	V88-F171 HydrophobicContact CG1-CD2 4.34Å; V88-F171 HydrophobicContact CG1-CE2 3.52Å; V88-F171 HydrophobicContact CG1-CZ 3.66Å; V88-F171 HydrophobicContact CG2-CZ 4.42Å; I90-F171 HydrophobicContact CB-CD2 4.32Å; I90-F171 HydrophobicContact CD1-CD2 4.35Å; I90-F171 HydrophobicContact CG1-CD2 4.29Å; F171-F225 HydrophobicContact CE1-CD1 4.36Å; F171-F225 HydrophobicContact CE1-CD2 4.26Å; F171-F225 AromaticContact CE1-CE1 3.98Å; F171-F225 HydrophobicContact CE1-CE1 3.98Å; F171-F225 AromaticContact CE1-CE2 3.87Å; F171-F225 HydrophobicContact CE1-CE2 3.87Å; F171-F225 HydrophobicContact CE1-CG 4.5Å; F171-F225 AromaticContact CE1-CZ 3.73Å; F171-F225 HydrophobicContact CE1-CZ 3.73Å; F171-F225 AromaticContact CZ-CD2 3.95Å; F171-F225 HydrophobicContact CZ-CD2 3.95Å; F171-F225 AromaticContact CZ-CE2 3.9Å; F171-F225 HydrophobicContact CZ-CE2 3.9Å; F171-F225 HydrophobicContact CZ-CG 4.31Å; F171-F225 HydrophobicContact CZ-CZ 4.24Å; F171-F230 HydrophobicContact CE2-CB 4.34Å; F171-F230 AromaticContact CE2-CD1 3.81Å; F171-F230 HydrophobicContact CE2-CD1 3.81Å; F171-F230 HydrophobicContact CE2-CE1 4.27Å; F171-F230 HydrophobicContact CE2-CG 4.06Å; F171-F230 HydrophobicContact CZ-CB 4.17Å; F171-F230 HydrophobicContact CZ-CD1 4.46Å; F171-F230 HydrophobicContact CZ-CG 4.34Å; F171-I325 PolarHBondContact N-O 2.95Å; F171-F326 AromaticContact CD1-CD2 3.67Å; F171-F326 HydrophobicContact CD1-CD2 3.67Å; F171-F326 AromaticContact CD1-CE2 3.84Å; F171-F326 HydrophobicContact CD1-CE2 3.84Å; F171-F326 HydrophobicContact CE1-CD2 4.32Å; F171-F326 HydrophobicContact CE1-CE2 4.03Å; F171-F326 HydrophobicContact CG-CD2 4.47Å; F171-E327 PolarHBondContact O-N 2.94Å; F171-I373 HydrophobicContact CB-CD1 4.07Å; F171-I373 HydrophobicContact CD1-CD1 3.57Å; F171-I373 HydrophobicContact CD2-CD1 4.04Å; F171-I373 HydrophobicContact CD2-CG2 4.34Å; F171-I373 HydrophobicContact CE1-CD1 3.93Å; F171-I373 HydrophobicContact CE2-CD1 4.38Å; F171-I373 HydrophobicContact CE2-CG2 3.88Å; F171-I373 HydrophobicContact CG-CD1 3.62Å; F171-I373 HydrophobicContact CZ-CD1 4.32Å; F171-I373 HydrophobicContact CZ-CG2 4Å; F171-F382 HydrophobicContact CB-CE1 4.39Å; F171-F382 HydrophobicContact CB-CE2 3.85Å; F171-F382 HydrophobicContact CB-CZ 3.77Å; F171-F382 HydrophobicContact CD2-CE2 4.02Å; F171-F382 HydrophobicContact CG-CE2 4.29Å
172	K	92.3	Very high	92	Very high	71 Å²	71	29.6 Å²	29.6	31%	0.309	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.6	167.9	-174.9	178.9	-177.2	176.6	0	110	V88 E89 Y170 E327	V88-K172 WeakPolarHBondContact CA-O 3.42Å; E89-K172 HydrophobicContact CB-CB 4.34Å; E89-K172 PolarHBondContact N-O 3Å; E89-K172 PolarHBondContact O-N 2.87Å; Y170-K172 HydrophobicContact CE1-CB 4.06Å; Y170-K172 HydrophobicContact CE2-CB 4.27Å; Y170-K172 WeakPolarHBondContact OH-CB 3.48Å; Y170-K172 WeakPolarHBondContact OH-CD 3.28Å; K172-E327 VanDerWaalsContact CA-O 3.25Å; K172-E327 WeakPolarHBondContact CA-O 3.44Å; K172-E327 HydrophobicContact CG-CB 4.45Å; K172-E327 HydrophobicContact CG-CG 4.44Å
173	G	92.4	Very high	92	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.7	-179.3	0	0	0	0	0	113	E327 A328 S329	G173-E327 PolarHBondContact N-O 3.07Å; G173-A328 WeakPolarHBondContact O-CA 3.35Å; G173-S329 PolarHBondContact O-N 2.78Å
174	M	92.6	Very high	91.8	Very high	38 Å²	38	33.4 Å²	33.4	19%	0.187	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.2	166.8	-59.9	179.9	79.9	0	0	109.3	G87 F225 K226 L331	G87-M174 WeakPolarHBondContact O-CB 3.34Å; G87-M174 WeakPolarHBondContact O-CG 3.35Å; G87-M174 PolarHBondContact O-N 2.99Å; M174-F225 CarbonylContact O-C 3.48Å; M174-F225 VanDerWaalsContact O-CA 3.29Å; M174-F225 WeakPolarHBondContact O-CA 2.97Å; M174-F225 WeakPolarHBondContact O-CB 3.44Å; M174-F225 WeakPolarHBondContact O-CD1 3.11Å; M174-K226 HydrophobicContact CB-CB 4.23Å; M174-K226 PolarHBondContact O-N 2.81Å; M174-K226 HydrophobicContact SD-CD 4.45Å; M174-L331 HydrophobicContact CE-CB 4.38Å; M174-L331 HydrophobicContact CE-CD1 3.99Å; M174-L331 HydrophobicContact CE-CG 4.11Å
175	W	93.8	Very high	91.6	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.027	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-61	140.7	173	-57.1	119.4	0	0	0	111.4	L177 F179 I223 F225 L232 L273 A328	W175-L177 WeakPolarHBondContact CB-O 3.36Å; W175-F179 AromaticContact CD1-CD2 3.59Å; W175-F179 AromaticContact CD1-CE2 3.84Å; W175-F179 HydrophobicContact CD2-CE2 4.01Å; W175-F179 AromaticContact CE2-CE2 3.86Å; W175-F179 HydrophobicContact CG-CD2 4.08Å; W175-F179 AromaticContact CG-CE2 3.97Å; W175-F179 HydrophobicContact CG-CE2 3.97Å; W175-F179 HydrophobicContact CZ2-CE2 4.47Å; W175-F179 AromaticContact NE1-CD2 3.71Å; W175-F179 AromaticContact NE1-CE2 3.74Å; W175-I223 HydrophobicContact CD2-CG2 4.43Å; W175-I223 HydrophobicContact CE3-CG2 3.56Å; W175-I223 HydrophobicContact CH2-CG2 4.4Å; W175-I223 HydrophobicContact CZ3-CB 4.09Å; W175-I223 HydrophobicContact CZ3-CG2 3.55Å; W175-F225 HydrophobicContact CD2-CE1 4.43Å; W175-F225 AromaticContact CE3-CD1 3.92Å; W175-F225 HydrophobicContact CE3-CD1 3.92Å; W175-F225 AromaticContact CE3-CE1 3.71Å; W175-F225 HydrophobicContact CE3-CE1 3.71Å; W175-F225 HydrophobicContact CE3-CZ 4.34Å; W175-F225 AromaticContact CH2-CE1 4Å; W175-F225 HydrophobicContact CH2-CE1 4Å; W175-F225 HydrophobicContact CH2-CZ 4.13Å; W175-F225 HydrophobicContact CZ3-CD1 4.08Å; W175-F225 AromaticContact CZ3-CE1 3.45Å; W175-F225 HydrophobicContact CZ3-CE1 3.45Å; W175-F225 VanDerWaalsContact CZ3-CE1 3.45Å; W175-F225 HydrophobicContact CZ3-CE2 4.46Å; W175-F225 AromaticContact CZ3-CZ 3.66Å; W175-F225 HydrophobicContact CZ3-CZ 3.66Å; W175-L232 HydrophobicContact CH2-CB 4.4Å; W175-L232 HydrophobicContact CH2-CD2 3.64Å; W175-L232 HydrophobicContact CZ3-CB 4.08Å; W175-L232 HydrophobicContact CZ3-CD2 4.16Å; W175-L273 HydrophobicContact CH2-CD2 3.9Å; W175-L273 HydrophobicContact CZ2-CD2 3.66Å; W175-A328 HydrophobicContact CH2-CB 3.85Å; W175-A328 HydrophobicContact CZ2-CB 3.23Å
176	N	92.8	Very high	91.5	Very high	83 Å²	83	41.8 Å²	41.8	44%	0.444	22%	0.224	S	C	.	.	S	Bend	trans	-67.9	-41.8	169.8	-173.5	48.7	0	0	0	111	P224	N176-P224 HydrophobicContact CB-CB 4.13Å; N176-P224 HydrophobicContact CB-CG 4.1Å; N176-P224 VanDerWaalsContact CB-O 3.31Å; N176-P224 WeakPolarHBondContact CB-O 3.36Å; N176-P224 PolarHBondContact N-O 3.41Å
177	L	90.4	Very high	91.3	Very high	54 Å²	54	43.1 Å²	43.1	28%	0.283	23%	0.234	S	C	.	.	S	Bend	trans	-108.1	101.4	174.7	-62.3	174.8	0	0	0	107.9	W175 N204 F208	W175-L177 WeakPolarHBondContact CB-O 3.36Å; L177-N204 PolarHBondContact O-ND2 3.49Å; L177-F208 HydrophobicContact CB-CZ 4.45Å; L177-F208 HydrophobicContact CD1-CE1 3.97Å; L177-F208 HydrophobicContact CD1-CZ 4.12Å
178	S	86.1	Confident	91.3	Very high	51 Å²	51	49 Å²	49	36%	0.357	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-63.6	146.1	-176.3	56.4	0	0	0	0	111.9	P180 N204	S178-P180 WeakPolarHBondContact O-CD 3.32Å; S178-N204 PolarHBondContact O-ND2 3.41Å
179	F	87.9	Confident	91.4	Very high	2 Å²	2	49 Å²	49	1%	0.009	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-84.4	121.1	163.7	-62.7	-92.7	0	0	0	107.9	W175 E181 M202 N204 L271 L273 E330	W175-F179 AromaticContact CD1-CD2 3.59Å; W175-F179 AromaticContact CD1-CE2 3.84Å; W175-F179 HydrophobicContact CD2-CE2 4.01Å; W175-F179 AromaticContact CE2-CE2 3.86Å; W175-F179 HydrophobicContact CG-CD2 4.08Å; W175-F179 AromaticContact CG-CE2 3.97Å; W175-F179 HydrophobicContact CG-CE2 3.97Å; W175-F179 HydrophobicContact CZ2-CE2 4.47Å; W175-F179 AromaticContact NE1-CD2 3.71Å; W175-F179 AromaticContact NE1-CE2 3.74Å; F179-E181 PolarHBondContact O-N 3.31Å; F179-M202 HydrophobicContact CB-CB 3.73Å; F179-M202 HydrophobicContact CB-CG 4.27Å; F179-M202 HydrophobicContact CB-SD 4.12Å; F179-M202 HydrophobicContact CD1-CB 3.54Å; F179-M202 HydrophobicContact CD2-CB 4.41Å; F179-M202 HydrophobicContact CD2-CE 4.19Å; F179-M202 HydrophobicContact CD2-SD 4.09Å; F179-M202 HydrophobicContact CE1-CB 4.26Å; F179-M202 HydrophobicContact CE2-CE 4.34Å; F179-M202 HydrophobicContact CG-CB 3.64Å; F179-M202 HydrophobicContact CG-CE 4.49Å; F179-M202 HydrophobicContact CG-CG 4.4Å; F179-M202 HydrophobicContact CG-SD 4.1Å; F179-N204 HydrophobicContact CD1-CB 3.57Å; F179-N204 HydrophobicContact CE1-CB 3.73Å; F179-N204 HydrophobicContact CG-CB 4.32Å; F179-L271 HydrophobicContact CE1-CD2 4.12Å; F179-L271 HydrophobicContact CE1-CG 4.22Å; F179-L271 HydrophobicContact CZ-CD2 3.81Å; F179-L271 HydrophobicContact CZ-CG 4.33Å; F179-L273 HydrophobicContact CE1-CB 4.28Å; F179-L273 HydrophobicContact CE2-CD2 4.38Å; F179-L273 HydrophobicContact CZ-CB 4.12Å; F179-L273 HydrophobicContact CZ-CD2 4.19Å; F179-E330 VanDerWaalsContact O-OE2 3.05Å
180	P	87.1	Confident	91.5	Very high	50 Å²	50	52 Å²	52	33%	0.325	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-66.9	128	174.4	-20.7	34	0	0	0	110.2	S178 D182 N183	S178-P180 WeakPolarHBondContact O-CD 3.32Å; P180-D182 PolarHBondContact O-N 3.11Å; P180-D182 VanDerWaalsContact O-N 3.14Å; P180-N183 HydrophobicContact CB-CB 4.47Å; P180-N183 WeakPolarHBondContact O-CB 3.44Å; P180-N183 PolarHBondContact O-N 2.99Å
181	E	85.9	Confident	91.5	Very high	96 Å²	96	53.2 Å²	53.2	45%	0.449	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-51.8	-36.5	176.2	-74.3	-66.7	-173.2	0	0	112.9	F179 N183 S184 K275 E330	F179-E181 PolarHBondContact O-N 3.31Å; E181-N183 PolarHBondContact O-N 3.24Å; E181-N183 VanDerWaalsContact O-N 3.16Å; E181-S184 VanDerWaalsContact O-CB 3.27Å; E181-S184 WeakPolarHBondContact O-CB 3.35Å; E181-S184 PolarHBondContact O-N 2.99Å; E181-K275 VanDerWaalsContact CD-NZ 3.28Å; E181-K275 IonicContact OE1-NZ 3.89Å; E181-K275 PolarHBondContact OE1-NZ 3.25Å; E181-K275 VanDerWaalsContact OE1-NZ 3.14Å; E181-K275 IonicContact OE2-NZ 3.28Å; E181-K275 PolarHBondContact OE2-NZ 3.13Å; E181-E330 WeakPolarHBondContact CG-OE2 3.29Å; E181-E330 VanDerWaalsContact OE1-CD 3.24Å
182	D	88.6	Confident	91.4	Very high	150 Å²	150	55.4 Å²	55.4	80%	0.802	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17.7	178.7	-58.3	-39.1	0	0	0	113.6	P180	P180-D182 PolarHBondContact O-N 3.11Å; P180-D182 VanDerWaalsContact O-N 3.14Å
183	N	90	Very high	91.2	Very high	68 Å²	68	58 Å²	58	36%	0.364	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-93.1	-10.5	175.4	-65.6	-7.3	0	0	0	112.4	P180 E181 H185 H203	P180-N183 HydrophobicContact CB-CB 4.47Å; P180-N183 WeakPolarHBondContact O-CB 3.44Å; P180-N183 PolarHBondContact O-N 2.99Å; E181-N183 PolarHBondContact O-N 3.24Å; E181-N183 VanDerWaalsContact O-N 3.16Å; N183-H185 PolarHBondContact O-ND1 3.32Å; N183-H185 VanDerWaalsContact O-ND1 3.15Å; N183-H203 HydrophobicContact CB-CB 4.07Å
184	S	90.7	Very high	91	Very high	22 Å²	22	60.5 Å²	60.5	15%	0.154	33%	0.332	C	S	.	.			trans	-69.7	132.8	175.3	-65.9	0	0	0	0	109.8	E181 L201	E181-S184 VanDerWaalsContact O-CB 3.27Å; E181-S184 WeakPolarHBondContact O-CB 3.35Å; E181-S184 PolarHBondContact O-N 2.99Å; S184-L201 WeakPolarHBondContact CA-O 3.27Å
185	H	92.7	Very high	91.1	Very high	73 Å²	73	60.9 Å²	60.9	34%	0.338	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.5	179.8	59.6	-76.3	0	0	0	110.9	N183 S187 L201 Y272	N183-H185 PolarHBondContact O-ND1 3.32Å; N183-H185 VanDerWaalsContact O-ND1 3.15Å; H185-S187 PolarHBondContact O-N 3.42Å; H185-L201 PolarHBondContact N-O 3.25Å; H185-L201 PolarHBondContact O-N 3.11Å; H185-Y272 AromaticContact CE1-CD1 3.83Å; H185-Y272 AromaticContact CE1-CE1 3.74Å
186	T	94.3	Very high	91	Very high	103 Å²	103	66.6 Å²	66.6	63%	0.632	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.4	175	-62.1	0	0	0	0	110.3	S198 V199	T186-S198 WeakPolarHBondContact CG2-OG 3.32Å; T186-V199 CarbonylContact C-O 3.56Å; T186-V199 WeakPolarHBondContact CA-O 3.4Å
187	S	93.9	Very high	91	Very high	29 Å²	29	64 Å²	64	20%	0.203	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	170.7	179.5	-156.7	0	0	0	0	111.8	H185 S198 V199	H185-S187 PolarHBondContact O-N 3.42Å; S187-S198 WeakPolarHBondContact O-CA 3.21Å; S187-V199 PolarHBondContact N-O 3.48Å; S187-V199 PolarHBondContact O-N 3.03Å
188	K	94.3	Very high	91	Very high	124 Å²	124	65.6 Å²	65.6	54%	0.539	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132	179.6	-63.4	174.7	-175.4	171.3	0	109.9	K196 M197	K188-K196 HydrophobicContact CD-CD 4.37Å; K188-M197 CarbonylContact C-O 3.55Å; K188-M197 WeakPolarHBondContact CA-O 3.35Å
189	F	95.1	Very high	91.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.2	164.2	-171.1	-89.6	0	0	0	109.4	E191 K196 M197 V199 N366 H367 P368 F369 L389	F189-E191 HydrophobicContact CD1-CG 4.45Å; F189-K196 WeakPolarHBondContact O-CA 3.47Å; F189-M197 HydrophobicContact CB-CG 3.79Å; F189-M197 HydrophobicContact CD1-CG 4.2Å; F189-M197 HydrophobicContact CD1-SD 4.18Å; F189-M197 HydrophobicContact CG-CG 4.44Å; F189-M197 PolarHBondContact N-O 3.44Å; F189-M197 PolarHBondContact O-N 3.27Å; F189-V199 HydrophobicContact CB-CG1 3.84Å; F189-V199 HydrophobicContact CB-CG2 3.82Å; F189-N366 CarbonylContact C-O 3.36Å; F189-N366 VanDerWaalsContact CA-O 3.27Å; F189-N366 WeakPolarHBondContact CA-O 3.23Å; F189-H367 VanDerWaalsContact CE2-N 3.3Å; F189-P368 HydrophobicContact CE1-CG 4.41Å; F189-F369 HydrophobicContact CE2-CD1 4.34Å; F189-F369 HydrophobicContact CE2-CE1 4.22Å; F189-F369 HydrophobicContact CZ-CD1 4.48Å; F189-F369 HydrophobicContact CZ-CE1 4.48Å; F189-L389 HydrophobicContact CB-CD1 4.31Å; F189-L389 HydrophobicContact CD1-CD1 4.32Å; F189-L389 HydrophobicContact CD1-CG 4.47Å; F189-L389 HydrophobicContact CD2-CD1 3.34Å; F189-L389 HydrophobicContact CD2-CG 4.18Å; F189-L389 HydrophobicContact CE1-CD1 4.49Å; F189-L389 HydrophobicContact CE1-CG 4.35Å; F189-L389 HydrophobicContact CE2-CD1 3.55Å; F189-L389 HydrophobicContact CE2-CG 4.06Å; F189-L389 HydrophobicContact CG-CD1 3.76Å; F189-L389 HydrophobicContact CG-CG 4.38Å; F189-L389 HydrophobicContact CZ-CD1 4.13Å; F189-L389 HydrophobicContact CZ-CG 4.13Å
190	Y	95.2	Very high	91.5	Very high	62 Å²	62	67.9 Å²	67.9	24%	0.243	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.7	-178.8	-60.2	-90.2	0	0	0	109.7	K196 N240 N366 H367 P368	Y190-K196 HydrophobicContact CD1-CD 4.17Å; Y190-K196 HydrophobicContact CD1-CG 3.88Å; Y190-K196 HydrophobicContact CE1-CD 3.85Å; Y190-K196 HydrophobicContact CE1-CG 4.1Å; Y190-N240 WeakPolarHBondContact CB-ND2 3.42Å; Y190-N240 WeakPolarHBondContact CD1-ND2 3.34Å; Y190-N240 WeakPolarHBondContact CD2-ND2 3.4Å; Y190-N366 WeakPolarHBondContact CD2-O 3.34Å; Y190-N366 PolarHBondContact N-O 3.18Å; Y190-H367 WeakPolarHBondContact O-CA 3.27Å; Y190-P368 WeakPolarHBondContact O-CD 3.47Å
191	E	92	Very high	91.8	Very high	34 Å²	34	65.5 Å²	65.5	16%	0.159	36%	0.355	C	S	.	.			trans	-81.6	166.4	178.4	-63.6	-178	113	0	0	111.8	F189 N193 G194 S195 M197 S388	F189-E191 HydrophobicContact CD1-CG 4.45Å; E191-N193 VanDerWaalsContact C-N 3.25Å; E191-N193 WeakPolarHBondContact CB-OD1 2.98Å; E191-N193 PolarHBondContact O-N 3.29Å; E191-G194 PolarHBondContact O-N 3.02Å; E191-S195 PolarHBondContact N-O 2.47Å; E191-S195 PolarHBondContact OE2-OG 3.29Å; E191-M197 HydrophobicContact CG-CG 4.47Å; E191-M197 HydrophobicContact CG-SD 4.42Å; E191-S388 WeakPolarHBondContact OE1-CB 3.49Å; E191-S388 PolarHBondContact OE1-OG 3.38Å
192	L	90.1	Very high	92.1	Very high	47 Å²	47	61.4 Å²	61.4	25%	0.246	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.5	-177.2	-73.5	178.7	0	0	0	114	W26 G194 L243 P244 P368 T387	W26-L192 HydrophobicContact CB-CD1 3.57Å; W26-L192 HydrophobicContact CG-CD1 3.94Å; L192-G194 PolarHBondContact O-N 3.35Å; L192-L243 HydrophobicContact CD2-CB 4.25Å; L192-P244 HydrophobicContact CD2-CG 4.39Å; L192-P368 HydrophobicContact CD2-CB 3.92Å; L192-P368 HydrophobicContact CD2-CG 3.68Å; L192-P368 HydrophobicContact CG-CB 4.25Å; L192-P368 HydrophobicContact CG-CG 3.71Å; L192-T387 HydrophobicContact CD1-CG2 3.88Å
193	N	89.4	Confident	92.4	Very high	125 Å²	125	55.7 Å²	55.7	67%	0.668	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.6	176.7	63.3	1.7	0	0	0	113	E191 S195	E191-N193 VanDerWaalsContact C-N 3.25Å; E191-N193 WeakPolarHBondContact CB-OD1 2.98Å; E191-N193 PolarHBondContact O-N 3.29Å; N193-S195 VanDerWaalsContact CG-OG 3.26Å; N193-S195 PolarHBondContact ND2-OG 2.78Å; N193-S195 PolarHBondContact OD1-N 3.2Å; N193-S195 PolarHBondContact OD1-OG 3.46Å
194	G	88.9	Confident	92.6	Very high	53 Å²	53	53.4 Å²	53.4	55%	0.546	29%	0.293	S	S	.	.	S	Bend	trans	85.6	-3.3	-176.7	0	0	0	0	0	115.5	E191 L192	E191-G194 PolarHBondContact O-N 3.02Å; L192-G194 PolarHBondContact O-N 3.35Å
195	S	92.8	Very high	92.8	Very high	46 Å²	46	56.8 Å²	56.8	32%	0.322	31%	0.306	S	S	.	.			trans	-65.4	161.4	169.5	52.8	0	0	0	0	111	E191 N193	E191-S195 PolarHBondContact N-O 2.47Å; E191-S195 PolarHBondContact OE2-OG 3.29Å; N193-S195 VanDerWaalsContact CG-OG 3.26Å; N193-S195 PolarHBondContact ND2-OG 2.78Å; N193-S195 PolarHBondContact OD1-N 3.2Å; N193-S195 PolarHBondContact OD1-OG 3.46Å
196	K	92.5	Very high	92.9	Very high	127 Å²	127	54.7 Å²	54.7	55%	0.552	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.5	-177	-56.7	177.7	-165.3	179.1	0	108	K188 F189 Y190	K188-K196 HydrophobicContact CD-CD 4.37Å; F189-K196 WeakPolarHBondContact O-CA 3.47Å; Y190-K196 HydrophobicContact CD1-CD 4.17Å; Y190-K196 HydrophobicContact CD1-CG 3.88Å; Y190-K196 HydrophobicContact CE1-CD 3.85Å; Y190-K196 HydrophobicContact CE1-CG 4.1Å
197	M	92	Very high	92.9	Very high	27 Å²	27	55.1 Å²	55.1	13%	0.133	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.5	172	65.5	176.5	-58.3	0	0	110.3	K188 F189 E191 V199 L389 L390	K188-M197 CarbonylContact C-O 3.55Å; K188-M197 WeakPolarHBondContact CA-O 3.35Å; F189-M197 HydrophobicContact CB-CG 3.79Å; F189-M197 HydrophobicContact CD1-CG 4.2Å; F189-M197 HydrophobicContact CD1-SD 4.18Å; F189-M197 HydrophobicContact CG-CG 4.44Å; F189-M197 PolarHBondContact N-O 3.44Å; F189-M197 PolarHBondContact O-N 3.27Å; E191-M197 HydrophobicContact CG-CG 4.47Å; E191-M197 HydrophobicContact CG-SD 4.42Å; M197-V199 HydrophobicContact CE-CG1 3.82Å; M197-V199 HydrophobicContact CG-CG1 4.02Å; M197-V199 HydrophobicContact SD-CG1 4.21Å; M197-L389 HydrophobicContact CE-CB 3.94Å; M197-L389 HydrophobicContact SD-CB 3.94Å; M197-L389 PolarHBondContact SD-N 2.84Å; M197-L390 HydrophobicContact CE-CB 4.46Å; M197-L390 HydrophobicContact CE-CD2 3.61Å; M197-L390 HydrophobicContact CE-CG 3.61Å; M197-L390 HydrophobicContact SD-CG 4.29Å
198	S	92.4	Very high	93	Very high	88 Å²	88	53.9 Å²	53.9	62%	0.615	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.8	177.8	-161.6	0	0	0	0	109.1	T186 S187	T186-S198 WeakPolarHBondContact CG2-OG 3.32Å; S187-S198 WeakPolarHBondContact O-CA 3.21Å
199	V	92.1	Very high	93.1	Very high	15 Å²	15	51.2 Å²	51.2	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.2	-179	-58.2	0	0	0	0	110.8	T186 S187 F189 M197 P274 L389	T186-V199 CarbonylContact C-O 3.56Å; T186-V199 WeakPolarHBondContact CA-O 3.4Å; S187-V199 PolarHBondContact N-O 3.48Å; S187-V199 PolarHBondContact O-N 3.03Å; F189-V199 HydrophobicContact CB-CG1 3.84Å; F189-V199 HydrophobicContact CB-CG2 3.82Å; M197-V199 HydrophobicContact CE-CG1 3.82Å; M197-V199 HydrophobicContact CG-CG1 4.02Å; M197-V199 HydrophobicContact SD-CG1 4.21Å; V199-P274 HydrophobicContact CG2-CB 4.5Å; V199-L389 HydrophobicContact CB-CD1 4.22Å; V199-L389 HydrophobicContact CG1-CB 3.94Å; V199-L389 HydrophobicContact CG1-CD1 3.76Å; V199-L389 HydrophobicContact CG2-CD1 4.26Å
200	E	91.9	Very high	93.2	Very high	86 Å²	86	52.5 Å²	52.5	40%	0.402	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.4	172	-165.1	179.1	161.6	0	0	109.6	P274 K275	E200-P274 WeakPolarHBondContact O-CA 3.44Å; E200-K275 HydrophobicContact CB-CD 4.48Å; E200-K275 HydrophobicContact CG-CD 4.18Å; E200-K275 PolarHBondContact O-N 2.99Å; E200-K275 VanDerWaalsContact OE1-CE 3.29Å; E200-K275 WeakPolarHBondContact OE1-CE 3.5Å; E200-K275 IonicContact OE1-NZ 3.46Å; E200-K275 PolarHBondContact OE1-NZ 3.3Å; E200-K275 IonicContact OE2-NZ 3.53Å
201	L	92	Very high	93.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113	-175.2	-164.1	72.6	0	0	0	108.9	S184 H185 Y272 P274 R364	S184-L201 WeakPolarHBondContact CA-O 3.27Å; H185-L201 PolarHBondContact N-O 3.25Å; H185-L201 PolarHBondContact O-N 3.11Å; L201-Y272 HydrophobicContact CD2-CD1 3.84Å; L201-Y272 HydrophobicContact CD2-CG 4.03Å; L201-Y272 HydrophobicContact CG-CD1 4.33Å; L201-P274 HydrophobicContact CD1-CB 4.42Å; L201-R364 HydrophobicContact CD2-CG 4.33Å; L201-R364 VanDerWaalsContact CD2-NH1 3.34Å
202	M	94	Very high	93.3	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.044	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	145.1	173.1	-58.6	180	-66.2	0	0	109.8	F179 Y272 L273 K275 E330	F179-M202 HydrophobicContact CB-CB 3.73Å; F179-M202 HydrophobicContact CB-CG 4.27Å; F179-M202 HydrophobicContact CB-SD 4.12Å; F179-M202 HydrophobicContact CD1-CB 3.54Å; F179-M202 HydrophobicContact CD2-CB 4.41Å; F179-M202 HydrophobicContact CD2-CE 4.19Å; F179-M202 HydrophobicContact CD2-SD 4.09Å; F179-M202 HydrophobicContact CE1-CB 4.26Å; F179-M202 HydrophobicContact CE2-CE 4.34Å; F179-M202 HydrophobicContact CG-CB 3.64Å; F179-M202 HydrophobicContact CG-CE 4.49Å; F179-M202 HydrophobicContact CG-CG 4.4Å; F179-M202 HydrophobicContact CG-SD 4.1Å; M202-Y272 VanDerWaalsContact O-CA 3.29Å; M202-Y272 WeakPolarHBondContact O-CA 3.4Å; M202-L273 WeakPolarHBondContact CB-O 3.26Å; M202-L273 HydrophobicContact CE-CB 4.23Å; M202-L273 HydrophobicContact CE-CD2 3.93Å; M202-L273 HydrophobicContact CE-CG 4.22Å; M202-L273 PolarHBondContact N-O 3.37Å; M202-L273 PolarHBondContact O-N 3.03Å; M202-K275 HydrophobicContact CE-CG 4.25Å; M202-K275 HydrophobicContact CG-CD 4.17Å; M202-K275 HydrophobicContact CG-CG 3.47Å; M202-K275 VanDerWaalsContact CG-CG 3.47Å; M202-K275 HydrophobicContact SD-CD 4.39Å; M202-K275 HydrophobicContact SD-CG 3.67Å; M202-E330 HydrophobicContact SD-CG 4.31Å
203	H	94.4	Very high	93.5	Very high	30 Å²	30	50.1 Å²	50.1	14%	0.139	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.7	178.8	167.6	-108.1	0	0	0	112.7	N183 N270 L271 Y272	N183-H203 HydrophobicContact CB-CB 4.07Å; H203-N270 PolarHBondContact NE2-OD1 2.98Å; H203-L271 WeakPolarHBondContact CA-O 3.46Å; H203-Y272 HydrophobicContact CB-CD1 3.74Å; H203-Y272 HydrophobicContact CB-CE1 3.71Å; H203-Y272 AromaticContact CD2-CD1 3.75Å; H203-Y272 AromaticContact CD2-CE1 3.26Å; H203-Y272 WeakPolarHBondContact CD2-CE1 3.22Å; H203-Y272 AromaticContact CD2-CE2 4Å; H203-Y272 AromaticContact CD2-CZ 3.39Å; H203-Y272 AromaticContact CG-CE1 3.59Å; H203-Y272 AromaticContact NE2-CZ 3.92Å
204	N	93.9	Very high	93.6	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.112	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	127.4	172.8	-171.2	-10.4	0	0	0	110	L177 S178 F179 L271	L177-N204 PolarHBondContact O-ND2 3.49Å; S178-N204 PolarHBondContact O-ND2 3.41Å; F179-N204 HydrophobicContact CD1-CB 3.57Å; F179-N204 HydrophobicContact CE1-CB 3.73Å; F179-N204 HydrophobicContact CG-CB 4.32Å; N204-L271 PolarHBondContact N-O 2.81Å; N204-L271 PolarHBondContact O-N 3.47Å
205	E	94.3	Very high	93.7	Very high	92 Å²	92	51.2 Å²	51.2	43%	0.43	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	103.9	169.6	-173.2	-174.3	136.4	0	0	109.2	K268 L269	E205-K268 WeakPolarHBondContact OE1-CE 3.18Å; E205-K268 IonicContact OE1-NZ 3.96Å; E205-K268 PolarHBondContact OE1-NZ 3.37Å; E205-L269 WeakPolarHBondContact CA-O 2.89Å
206	S	94.8	Very high	93.7	Very high	29 Å²	29	49.2 Å²	49.2	20%	0.203	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	-175	179.9	-156.3	0	0	0	0	112.3	K268 L269	S206-K268 WeakPolarHBondContact O-CA 3.29Å; S206-L269 PolarHBondContact N-O 2.81Å; S206-L269 PolarHBondContact O-N 3.46Å
207	Y	95.5	Very high	93.8	Very high	113 Å²	113	50.1 Å²	50.1	44%	0.443	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.4	174.6	-74.4	-91.7	0	0	0	110.1	N266 T267 K268	Y207-N266 WeakPolarHBondContact CB-OD1 3.4Å; Y207-T267 WeakPolarHBondContact CA-O 3.43Å; Y207-K268 HydrophobicContact CD1-CB 4.1Å; Y207-K268 HydrophobicContact CE1-CB 3.75Å; Y207-K268 HydrophobicContact CE2-CB 4.42Å; Y207-K268 HydrophobicContact CE2-CG 4.33Å
208	F	96.3	Very high	94	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.1	176.2	-64.4	-82.3	0	0	0	110.5	L177 M210 V221 I223 T267 L269 L271	L177-F208 HydrophobicContact CB-CZ 4.45Å; L177-F208 HydrophobicContact CD1-CE1 3.97Å; L177-F208 HydrophobicContact CD1-CZ 4.12Å; F208-M210 PolarHBondContact O-N 3.41Å; F208-V221 HydrophobicContact CB-CG2 3.78Å; F208-V221 HydrophobicContact CG-CG2 4.42Å; F208-I223 HydrophobicContact CE1-CG2 4.17Å; F208-T267 PolarHBondContact N-O 3.01Å; F208-T267 PolarHBondContact O-N 3.06Å; F208-L269 HydrophobicContact CB-CD2 4.27Å; F208-L269 HydrophobicContact CD2-CB 4.26Å; F208-L269 HydrophobicContact CD2-CD2 4.3Å; F208-L271 HydrophobicContact CD1-CD2 4.26Å; F208-L271 HydrophobicContact CD2-CB 4.24Å; F208-L271 HydrophobicContact CD2-CD2 4.22Å; F208-L271 HydrophobicContact CE1-CD2 3.92Å; F208-L271 HydrophobicContact CE2-CB 3.89Å; F208-L271 HydrophobicContact CE2-CD2 3.86Å; F208-L271 HydrophobicContact CG-CD2 4.41Å; F208-L271 HydrophobicContact CZ-CB 4.48Å; F208-L271 HydrophobicContact CZ-CD2 3.71Å
209	N	96.2	Very high	94.2	Very high	68 Å²	68	48 Å²	48	36%	0.364	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	111.4	173.3	-80.8	-18	0	0	0	108.9	V221 K222 F264	N209-V221 WeakPolarHBondContact O-CA 3.2Å; N209-K222 HydrophobicContact CB-CB 3.91Å; N209-K222 PolarHBondContact O-N 2.78Å; N209-F264 HydrophobicContact CB-CB 4.09Å; N209-F264 HydrophobicContact CB-CD1 4.34Å; N209-F264 WeakPolarHBondContact O-CD1 3.38Å
210	M	96.2	Very high	94.4	Very high	28 Å²	28	47.3 Å²	47.3	14%	0.138	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.7	-177.6	-176.2	-175.7	169.8	0	0	110.9	F208 R219 A220 F264 Q265 L269 F363	F208-M210 PolarHBondContact O-N 3.41Å; M210-R219 HydrophobicContact CE-CB 4.09Å; M210-R219 HydrophobicContact CE-CG 4.17Å; M210-A220 CarbonylContact C-O 3.41Å; M210-A220 VanDerWaalsContact CA-O 3.31Å; M210-A220 WeakPolarHBondContact CA-O 3.06Å; M210-A220 WeakPolarHBondContact CG-O 3.28Å; M210-F264 WeakPolarHBondContact O-CA 3.37Å; M210-Q265 PolarHBondContact N-O 2.81Å; M210-Q265 PolarHBondContact O-N 3.11Å; M210-L269 HydrophobicContact SD-CD1 3.97Å; M210-F363 HydrophobicContact CE-CD2 4.13Å; M210-F363 HydrophobicContact SD-CD2 4.44Å
211	A	95.7	Very high	94.7	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.7	172.3	0	0	0	0	0	110.6	L213 R219 A220 F264	A211-L213 HydrophobicContact CB-CD2 4.39Å; A211-R219 WeakPolarHBondContact O-CA 3.26Å; A211-A220 PolarHBondContact N-O 2.92Å; A211-A220 PolarHBondContact O-N 2.88Å; A211-F264 HydrophobicContact CB-CD1 3.75Å; A211-F264 HydrophobicContact CB-CD2 4.32Å; A211-F264 HydrophobicContact CB-CE1 3.77Å; A211-F264 HydrophobicContact CB-CE2 4.34Å; A211-F264 HydrophobicContact CB-CG 4.04Å; A211-F264 HydrophobicContact CB-CZ 4.06Å
212	S	94.8	Very high	94.9	Very high	86 Å²	86	44 Å²	44	60%	0.601	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.1	166.3	-178.5	0	0	0	0	109	P214	S212-P214 VanDerWaalsContact O-CD 3.26Å; S212-P214 WeakPolarHBondContact O-CD 3.37Å
213	L	93.6	Very high	94.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	69.5	-176.6	-55.1	173.3	0	0	0	109.3	A211 H215 L216 K217 S218 A220 I235 I259	A211-L213 HydrophobicContact CB-CD2 4.39Å; L213-H215 PolarHBondContact O-N 3.06Å; L213-L216 HydrophobicContact CB-CB 4.2Å; L213-L216 HydrophobicContact CB-CD1 4.41Å; L213-L216 HydrophobicContact CB-CG 4.49Å; L213-L216 HydrophobicContact CD1-CD1 4.18Å; L213-L216 CarbonylContact O-C 3.5Å; L213-L216 WeakPolarHBondContact O-CA 3.29Å; L213-L216 PolarHBondContact O-N 3.06Å; L213-K217 PolarHBondContact O-N 3.02Å; L213-K217 VanDerWaalsContact O-N 3.08Å; L213-S218 CarbonylContact C-O 3.59Å; L213-S218 VanDerWaalsContact CA-O 3.3Å; L213-S218 WeakPolarHBondContact CA-O 3.28Å; L213-S218 WeakPolarHBondContact CB-O 3.46Å; L213-S218 PolarHBondContact N-O 2.95Å; L213-S218 PolarHBondContact O-N 3.28Å; L213-A220 HydrophobicContact CD1-CB 3.77Å; L213-A220 HydrophobicContact CG-CB 4.49Å; L213-I235 HydrophobicContact CD1-CG2 4.09Å; L213-I259 HydrophobicContact CD1-CG2 3.81Å; L213-I259 HydrophobicContact CD2-CG2 4.5Å
214	P	92.3	Very high	95	Very high	95 Å²	95	44 Å²	44	62%	0.617	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-61.9	-30.7	-174.9	23.6	-34	0	0	0	113	S212 L216 K217	S212-P214 VanDerWaalsContact O-CD 3.26Å; S212-P214 WeakPolarHBondContact O-CD 3.37Å; P214-L216 PolarHBondContact O-N 3.44Å; P214-K217 PolarHBondContact O-N 2.89Å; P214-K217 VanDerWaalsContact O-N 3.13Å
215	H	90.7	Very high	95	Very high	106 Å²	106	43 Å²	43	49%	0.491	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-67.4	-19.7	175	61.1	-78.7	0	0	0	113.4	L213	L213-H215 PolarHBondContact O-N 3.06Å
216	L	92.6	Very high	95	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-107.5	5.3	173	-58	-179.6	0	0	0	112.5	L213 P214 S218 L246 S249 M250 I259	L213-L216 HydrophobicContact CB-CB 4.2Å; L213-L216 HydrophobicContact CB-CD1 4.41Å; L213-L216 HydrophobicContact CB-CG 4.49Å; L213-L216 HydrophobicContact CD1-CD1 4.18Å; L213-L216 CarbonylContact O-C 3.5Å; L213-L216 WeakPolarHBondContact O-CA 3.29Å; L213-L216 PolarHBondContact O-N 3.06Å; P214-L216 PolarHBondContact O-N 3.44Å; L216-S218 PolarHBondContact O-N 2.78Å; L216-S218 PolarHBondContact O-OG 3.47Å; L216-L246 HydrophobicContact CB-CD1 3.97Å; L216-L246 HydrophobicContact CD1-CD1 4.05Å; L216-L246 HydrophobicContact CG-CD1 4.48Å; L216-S249 VanDerWaalsContact CD2-CB 3.48Å; L216-M250 HydrophobicContact CD1-CG 4.14Å; L216-I259 HydrophobicContact CD1-CD1 3.58Å; L216-I259 HydrophobicContact CD1-CG1 4.01Å
217	K	94	Very high	94.9	Very high	146 Å²	146	40.7 Å²	40.7	64%	0.635	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	44.4	-173	-56	176.7	-176.4	173.1	0	112.2	L213 P214 D238	L213-K217 PolarHBondContact O-N 3.02Å; L213-K217 VanDerWaalsContact O-N 3.08Å; P214-K217 PolarHBondContact O-N 2.89Å; P214-K217 VanDerWaalsContact O-N 3.13Å; K217-D238 PolarHBondContact O-N 3.26Å
218	S	96.1	Very high	94.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	168.2	-169.7	-63.1	0	0	0	0	111.5	L213 L216 L236 P237 D238	L213-S218 CarbonylContact C-O 3.59Å; L213-S218 VanDerWaalsContact CA-O 3.3Å; L213-S218 WeakPolarHBondContact CA-O 3.28Å; L213-S218 WeakPolarHBondContact CB-O 3.46Å; L213-S218 PolarHBondContact N-O 2.95Å; L213-S218 PolarHBondContact O-N 3.28Å; L216-S218 PolarHBondContact O-N 2.78Å; L216-S218 PolarHBondContact O-OG 3.47Å; S218-L236 CarbonylContact C-O 3.54Å; S218-L236 VanDerWaalsContact CA-O 3.28Å; S218-L236 WeakPolarHBondContact CA-O 3.4Å; S218-L236 WeakPolarHBondContact CB-O 3.3Å; S218-P237 WeakPolarHBondContact OG-CA 3.27Å; S218-D238 PolarHBondContact N-OD2 3.08Å
219	R	96.1	Very high	94.6	Very high	71 Å²	71	44.6 Å²	44.6	27%	0.268	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.1	171.3	-64.8	172.9	-72.7	149.1	4.5	109.3	M210 A211 L236 D238 E362 F363	M210-R219 HydrophobicContact CE-CB 4.09Å; M210-R219 HydrophobicContact CE-CG 4.17Å; A211-R219 WeakPolarHBondContact O-CA 3.26Å; R219-L236 PolarHBondContact N-O 2.72Å; R219-L236 PolarHBondContact O-N 2.89Å; R219-D238 IonicContact NE-OD1 2.65Å; R219-D238 PolarHBondContact NE-OD1 3.02Å; R219-D238 VanDerWaalsContact NE-OD1 3.15Å; R219-E362 PolarHBondContact NH1-O 3.37Å; R219-F363 HydrophobicContact CB-CD2 4.43Å; R219-F363 HydrophobicContact CB-CE2 3.76Å
220	A	97.1	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.8	179.8	0	0	0	0	0	111.7	M210 A211 L213 L233 V234 I235 F264	M210-A220 CarbonylContact C-O 3.41Å; M210-A220 VanDerWaalsContact CA-O 3.31Å; M210-A220 WeakPolarHBondContact CA-O 3.06Å; M210-A220 WeakPolarHBondContact CG-O 3.28Å; A211-A220 PolarHBondContact N-O 2.92Å; A211-A220 PolarHBondContact O-N 2.88Å; L213-A220 HydrophobicContact CD1-CB 3.77Å; L213-A220 HydrophobicContact CG-CB 4.49Å; A220-L233 HydrophobicContact CB-CD1 4.09Å; A220-V234 CarbonylContact C-O 3.56Å; A220-V234 WeakPolarHBondContact CA-O 3.3Å; A220-I235 HydrophobicContact CB-CG1 4.11Å; A220-F264 HydrophobicContact CB-CE1 3.96Å; A220-F264 HydrophobicContact CB-CZ 4.07Å
221	V	97.4	Very high	94.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.7	173.5	67.1	0	0	0	0	110.1	F208 N209 I223 V234 L269 L271 F363	F208-V221 HydrophobicContact CB-CG2 3.78Å; F208-V221 HydrophobicContact CG-CG2 4.42Å; N209-V221 WeakPolarHBondContact O-CA 3.2Å; V221-I223 HydrophobicContact CG1-CD1 4.31Å; V221-I223 HydrophobicContact CG1-CG1 4.22Å; V221-I223 HydrophobicContact CG2-CG1 4.38Å; V221-V234 HydrophobicContact CG1-CB 3.99Å; V221-V234 PolarHBondContact N-O 2.94Å; V221-V234 PolarHBondContact O-N 3.23Å; V221-L269 HydrophobicContact CG2-CD2 4.02Å; V221-L271 HydrophobicContact CG1-CD1 4.3Å; V221-F363 HydrophobicContact CB-CD1 4.46Å; V221-F363 HydrophobicContact CB-CD2 4.28Å; V221-F363 HydrophobicContact CB-CE1 4.26Å; V221-F363 HydrophobicContact CB-CE2 4.07Å; V221-F363 HydrophobicContact CB-CG 4.48Å; V221-F363 HydrophobicContact CB-CZ 4.07Å; V221-F363 HydrophobicContact CG1-CD1 3.82Å; V221-F363 HydrophobicContact CG1-CD2 4.46Å; V221-F363 HydrophobicContact CG1-CE1 3.47Å; V221-F363 VanDerWaalsContact CG1-CE1 3.47Å; V221-F363 HydrophobicContact CG1-CE2 4.15Å; V221-F363 HydrophobicContact CG1-CG 4.31Å; V221-F363 HydrophobicContact CG1-CZ 3.66Å
222	K	96.4	Very high	94.6	Very high	18 Å²	18	40.4 Å²	40.4	8%	0.078	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.6	172.5	-82.6	-174.9	176.2	-166.2	0	109	N209 T231 L232 L233 F264 D377	N209-K222 HydrophobicContact CB-CB 3.91Å; N209-K222 PolarHBondContact O-N 2.78Å; K222-T231 HydrophobicContact CB-CG2 3.57Å; K222-T231 HydrophobicContact CD-CG2 4.19Å; K222-T231 HydrophobicContact CG-CG2 3.79Å; K222-L232 CarbonylContact C-O 3.32Å; K222-L232 WeakPolarHBondContact CA-O 3.31Å; K222-L233 HydrophobicContact CG-CD1 4.2Å; K222-F264 HydrophobicContact CD-CD1 4.22Å; K222-F264 HydrophobicContact CD-CD2 4.41Å; K222-F264 HydrophobicContact CD-CE1 4.29Å; K222-F264 HydrophobicContact CD-CE2 4.47Å; K222-F264 HydrophobicContact CD-CG 4.29Å; K222-F264 HydrophobicContact CD-CZ 4.42Å; K222-F264 HydrophobicContact CG-CD1 4.13Å; K222-F264 HydrophobicContact CG-CE1 3.88Å; K222-F264 HydrophobicContact CG-CZ 4.22Å; K222-D377 IonicContact NZ-OD1 2.95Å; K222-D377 PolarHBondContact NZ-OD1 2.96Å
223	I	95.5	Very high	94.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	106.8	-179	-50.2	169	0	0	0	107.9	W175 F208 V221 L232 V234 L271 L273	W175-I223 HydrophobicContact CD2-CG2 4.43Å; W175-I223 HydrophobicContact CE3-CG2 3.56Å; W175-I223 HydrophobicContact CH2-CG2 4.4Å; W175-I223 HydrophobicContact CZ3-CB 4.09Å; W175-I223 HydrophobicContact CZ3-CG2 3.55Å; F208-I223 HydrophobicContact CE1-CG2 4.17Å; V221-I223 HydrophobicContact CG1-CD1 4.31Å; V221-I223 HydrophobicContact CG1-CG1 4.22Å; V221-I223 HydrophobicContact CG2-CG1 4.38Å; I223-L232 HydrophobicContact CB-CB 4.27Å; I223-L232 HydrophobicContact CD1-CD2 4.48Å; I223-L232 PolarHBondContact N-O 3.39Å; I223-L232 PolarHBondContact O-N 2.89Å; I223-V234 HydrophobicContact CD1-CG2 4.27Å; I223-L271 HydrophobicContact CD1-CD2 3.77Å; I223-L271 HydrophobicContact CG1-CD2 3.91Å; I223-L273 HydrophobicContact CD1-CD1 4.28Å; I223-L273 HydrophobicContact CD1-CD2 4.05Å
224	P	95.2	Very high	94.9	Very high	36 Å²	36	36.2 Å²	36.2	23%	0.234	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.6	-175.7	26.5	-32.2	0	0	0	112.2	N176	N176-P224 HydrophobicContact CB-CB 4.13Å; N176-P224 HydrophobicContact CB-CG 4.1Å; N176-P224 VanDerWaalsContact CB-O 3.31Å; N176-P224 WeakPolarHBondContact CB-O 3.36Å; N176-P224 PolarHBondContact N-O 3.41Å
225	F	94.9	Very high	95.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-83.7	166	165.5	-66.1	-77.3	0	0	0	110.6	V88 F171 M174 W175 N227 F230 L232 F326 A328 I373	V88-F225 HydrophobicContact CG2-CB 3.76Å; V88-F225 HydrophobicContact CG2-CG 4.4Å; F171-F225 HydrophobicContact CE1-CD1 4.36Å; F171-F225 HydrophobicContact CE1-CD2 4.26Å; F171-F225 AromaticContact CE1-CE1 3.98Å; F171-F225 HydrophobicContact CE1-CE1 3.98Å; F171-F225 AromaticContact CE1-CE2 3.87Å; F171-F225 HydrophobicContact CE1-CE2 3.87Å; F171-F225 HydrophobicContact CE1-CG 4.5Å; F171-F225 AromaticContact CE1-CZ 3.73Å; F171-F225 HydrophobicContact CE1-CZ 3.73Å; F171-F225 AromaticContact CZ-CD2 3.95Å; F171-F225 HydrophobicContact CZ-CD2 3.95Å; F171-F225 AromaticContact CZ-CE2 3.9Å; F171-F225 HydrophobicContact CZ-CE2 3.9Å; F171-F225 HydrophobicContact CZ-CG 4.31Å; F171-F225 HydrophobicContact CZ-CZ 4.24Å; M174-F225 CarbonylContact O-C 3.48Å; M174-F225 VanDerWaalsContact O-CA 3.29Å; M174-F225 WeakPolarHBondContact O-CA 2.97Å; M174-F225 WeakPolarHBondContact O-CB 3.44Å; M174-F225 WeakPolarHBondContact O-CD1 3.11Å; W175-F225 HydrophobicContact CD2-CE1 4.43Å; W175-F225 AromaticContact CE3-CD1 3.92Å; W175-F225 HydrophobicContact CE3-CD1 3.92Å; W175-F225 AromaticContact CE3-CE1 3.71Å; W175-F225 HydrophobicContact CE3-CE1 3.71Å; W175-F225 HydrophobicContact CE3-CZ 4.34Å; W175-F225 AromaticContact CH2-CE1 4Å; W175-F225 HydrophobicContact CH2-CE1 4Å; W175-F225 HydrophobicContact CH2-CZ 4.13Å; W175-F225 HydrophobicContact CZ3-CD1 4.08Å; W175-F225 AromaticContact CZ3-CE1 3.45Å; W175-F225 HydrophobicContact CZ3-CE1 3.45Å; W175-F225 VanDerWaalsContact CZ3-CE1 3.45Å; W175-F225 HydrophobicContact CZ3-CE2 4.46Å; W175-F225 AromaticContact CZ3-CZ 3.66Å; W175-F225 HydrophobicContact CZ3-CZ 3.66Å; F225-N227 CarbonylContact O-C 3.32Å; F225-N227 VanDerWaalsContact O-C 3.32Å; F225-N227 PolarHBondContact O-N 2.9Å; F225-N227 VanDerWaalsContact O-N 3.13Å; F225-F230 HydrophobicContact CB-CB 4.35Å; F225-F230 HydrophobicContact CD2-CB 3.89Å; F225-F230 WeakPolarHBondContact CD2-O 3.22Å; F225-F230 PolarHBondContact N-O 3.22Å; F225-F230 VanDerWaalsContact N-O 3.08Å; F225-L232 HydrophobicContact CE2-CB 3.82Å; F225-L232 HydrophobicContact CZ-CB 3.95Å; F225-L232 HydrophobicContact CZ-CD1 4.46Å; F225-F326 HydrophobicContact CE1-CE2 4.37Å; F225-F326 AromaticContact CZ-CE2 3.77Å; F225-F326 HydrophobicContact CZ-CE2 3.77Å; F225-F326 HydrophobicContact CZ-CZ 4.09Å; F225-A328 HydrophobicContact CE1-CB 4.43Å; F225-I373 HydrophobicContact CE2-CG2 4.47Å
226	K	92.8	Very high	95.4	Very high	49 Å²	49	26.7 Å²	26.7	21%	0.213	13%	0.131	C	C	.	.	S	Bend	trans	-53.9	-34.1	-179.6	-174.6	166.5	-175.7	169.5	0	112.5	M174 P228	M174-K226 HydrophobicContact CB-CB 4.23Å; M174-K226 PolarHBondContact O-N 2.81Å; M174-K226 HydrophobicContact SD-CD 4.45Å; K226-P228 WeakPolarHBondContact O-CD 3.35Å
227	N	93.2	Very high	95.7	Very high	24 Å²	24	26.6 Å²	26.6	13%	0.128	13%	0.13	C	C	.	.	S	Bend	trans	-85.9	112.9	164.3	-178.8	-12.6	0	0	0	109.2	S85 V88 F225 K229 F230	S85-N227 WeakPolarHBondContact CB-ND2 3.49Å; S85-N227 PolarHBondContact OG-ND2 3.28Å; V88-N227 HydrophobicContact CB-CB 4.14Å; V88-N227 HydrophobicContact CG2-CB 3.77Å; F225-N227 CarbonylContact O-C 3.32Å; F225-N227 VanDerWaalsContact O-C 3.32Å; F225-N227 PolarHBondContact O-N 2.9Å; F225-N227 VanDerWaalsContact O-N 3.13Å; N227-K229 PolarHBondContact O-N 3.48Å; N227-K229 WeakPolarHBondContact OD1-CB 3.28Å; N227-K229 WeakPolarHBondContact OD1-CG 3.38Å; N227-K229 PolarHBondContact OD1-N 3.19Å; N227-F230 HydrophobicContact CB-CD2 4.06Å; N227-F230 PolarHBondContact O-N 3.05Å
228	P	92.1	Very high	95.8	Very high	101 Å²	101	23.5 Å²	23.5	66%	0.656	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.3	-174.3	28.3	-36.6	0	0	0	113.7	K226 F230	K226-P228 WeakPolarHBondContact O-CD 3.35Å; P228-F230 PolarHBondContact O-N 3.37Å
229	K	94.5	Very high	95.8	Very high	96 Å²	96	27.3 Å²	27.3	42%	0.417	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.1	171.7	-64.4	-173.8	178.4	-177.3	0	112.6	N227 W375 N376	N227-K229 PolarHBondContact O-N 3.48Å; N227-K229 WeakPolarHBondContact OD1-CB 3.28Å; N227-K229 WeakPolarHBondContact OD1-CG 3.38Å; N227-K229 PolarHBondContact OD1-N 3.19Å; K229-W375 CarbonylContact O-C 3.56Å; K229-W375 VanDerWaalsContact O-CA 3.24Å; K229-W375 WeakPolarHBondContact O-CA 3.31Å; K229-N376 WeakPolarHBondContact CG-OD1 3.45Å; K229-N376 PolarHBondContact O-N 2.92Å
230	F	95.7	Very high	95.7	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.013	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.8	-178.7	-59.5	-82.7	0	0	0	110.3	V88 F171 F225 N227 P228 I373 I374 W375 I381	V88-F230 HydrophobicContact CB-CD2 4.18Å; V88-F230 HydrophobicContact CB-CE2 4.47Å; V88-F230 HydrophobicContact CG1-CD2 3.76Å; V88-F230 HydrophobicContact CG1-CE2 3.9Å; V88-F230 HydrophobicContact CG1-CG 4.22Å; V88-F230 HydrophobicContact CG1-CZ 4.49Å; V88-F230 HydrophobicContact CG2-CD2 4.19Å; F171-F230 HydrophobicContact CE2-CB 4.34Å; F171-F230 AromaticContact CE2-CD1 3.81Å; F171-F230 HydrophobicContact CE2-CD1 3.81Å; F171-F230 HydrophobicContact CE2-CE1 4.27Å; F171-F230 HydrophobicContact CE2-CG 4.06Å; F171-F230 HydrophobicContact CZ-CB 4.17Å; F171-F230 HydrophobicContact CZ-CD1 4.46Å; F171-F230 HydrophobicContact CZ-CG 4.34Å; F225-F230 HydrophobicContact CB-CB 4.35Å; F225-F230 HydrophobicContact CD2-CB 3.89Å; F225-F230 WeakPolarHBondContact CD2-O 3.22Å; F225-F230 PolarHBondContact N-O 3.22Å; F225-F230 VanDerWaalsContact N-O 3.08Å; N227-F230 HydrophobicContact CB-CD2 4.06Å; N227-F230 PolarHBondContact O-N 3.05Å; P228-F230 PolarHBondContact O-N 3.37Å; F230-I373 HydrophobicContact CD1-CG2 4.35Å; F230-I374 WeakPolarHBondContact CA-O 3.48Å; F230-W375 HydrophobicContact CD1-CB 4.43Å; F230-W375 AromaticContact CD1-CD1 3.98Å; F230-W375 HydrophobicContact CE1-CB 4.39Å; F230-W375 AromaticContact CE1-CD1 3.58Å; F230-W375 HydrophobicContact CE1-CG 4.16Å; F230-W375 AromaticContact CZ-CD1 3.84Å; F230-I381 HydrophobicContact CD1-CD1 4.12Å; F230-I381 HydrophobicContact CE1-CD1 3.6Å
231	T	95.9	Very high	95.4	Very high	11 Å²	11	31.9 Å²	31.9	7%	0.067	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135	177.7	-68.2	0	0	0	0	109.7	K222 I374	K222-T231 HydrophobicContact CB-CG2 3.57Å; K222-T231 HydrophobicContact CD-CG2 4.19Å; K222-T231 HydrophobicContact CG-CG2 3.79Å; T231-I374 PolarHBondContact N-O 2.83Å; T231-I374 PolarHBondContact O-N 3.1Å
232	L	96.3	Very high	95.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.1	168	-168.2	71.9	0	0	0	109.7	W175 K222 I223 F225 V234 F326 I371 I373	W175-L232 HydrophobicContact CH2-CB 4.4Å; W175-L232 HydrophobicContact CH2-CD2 3.64Å; W175-L232 HydrophobicContact CZ3-CB 4.08Å; W175-L232 HydrophobicContact CZ3-CD2 4.16Å; K222-L232 CarbonylContact C-O 3.32Å; K222-L232 WeakPolarHBondContact CA-O 3.31Å; I223-L232 HydrophobicContact CB-CB 4.27Å; I223-L232 HydrophobicContact CD1-CD2 4.48Å; I223-L232 PolarHBondContact N-O 3.39Å; I223-L232 PolarHBondContact O-N 2.89Å; F225-L232 HydrophobicContact CE2-CB 3.82Å; F225-L232 HydrophobicContact CZ-CB 3.95Å; F225-L232 HydrophobicContact CZ-CD1 4.46Å; L232-V234 HydrophobicContact CD2-CG2 3.86Å; L232-V234 HydrophobicContact CG-CG2 4.16Å; L232-F326 HydrophobicContact CD1-CE2 4.38Å; L232-F326 HydrophobicContact CD1-CZ 4.06Å; L232-F326 HydrophobicContact CD2-CZ 4.33Å; L232-I371 HydrophobicContact CD1-CD1 3.79Å; L232-I371 HydrophobicContact CD1-CG1 3.57Å; L232-I371 HydrophobicContact CD2-CD1 4.21Å; L232-I371 HydrophobicContact CD2-CG1 4.36Å; L232-I371 HydrophobicContact CG-CD1 4.47Å; L232-I371 HydrophobicContact CG-CG1 4.19Å; L232-I373 HydrophobicContact CD1-CG1 3.89Å
233	L	96.8	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.5	166.7	177.2	65.7	0	0	0	108.8	A220 K222 I235 I259 L260 F264 I371 S372 I374	A220-L233 HydrophobicContact CB-CD1 4.09Å; K222-L233 HydrophobicContact CG-CD1 4.2Å; L233-I235 HydrophobicContact CD1-CG1 4.37Å; L233-I235 HydrophobicContact CD2-CD1 4.21Å; L233-I235 HydrophobicContact CD2-CG1 4.3Å; L233-I235 HydrophobicContact CG-CG1 4.1Å; L233-I259 HydrophobicContact CD2-CG2 4.49Å; L233-L260 HydrophobicContact CD2-CD2 3.96Å; L233-F264 HydrophobicContact CD1-CE1 4.18Å; L233-F264 HydrophobicContact CD1-CZ 3.82Å; L233-I371 WeakPolarHBondContact O-CA 3.45Å; L233-S372 PolarHBondContact N-O 3.16Å; L233-S372 PolarHBondContact O-N 3.42Å; L233-I374 HydrophobicContact CB-CD1 4.44Å; L233-I374 HydrophobicContact CB-CG1 3.91Å; L233-I374 HydrophobicContact CD2-CD1 4.44Å
234	V	97.1	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.1	169.5	177.3	0	0	0	0	108.3	A220 V221 I223 L232 L273 F363 V365 F369	A220-V234 CarbonylContact C-O 3.56Å; A220-V234 WeakPolarHBondContact CA-O 3.3Å; V221-V234 HydrophobicContact CG1-CB 3.99Å; V221-V234 PolarHBondContact N-O 2.94Å; V221-V234 PolarHBondContact O-N 3.23Å; I223-V234 HydrophobicContact CD1-CG2 4.27Å; L232-V234 HydrophobicContact CD2-CG2 3.86Å; L232-V234 HydrophobicContact CG-CG2 4.16Å; V234-L273 HydrophobicContact CG2-CD1 4.33Å; V234-F363 HydrophobicContact CG1-CE1 4.15Å; V234-V365 HydrophobicContact CG1-CG1 4.5Å; V234-V365 HydrophobicContact CG1-CG2 3.95Å; V234-F369 HydrophobicContact CG1-CB 4.39Å; V234-F369 HydrophobicContact CG1-CD2 3.86Å; V234-F369 HydrophobicContact CG1-CG 4.36Å
235	I	97	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.6	173.2	-48.2	174.3	0	0	0	107.9	L213 A220 L233 L246 M250 I259 F370	L213-I235 HydrophobicContact CD1-CG2 4.09Å; A220-I235 HydrophobicContact CB-CG1 4.11Å; L233-I235 HydrophobicContact CD1-CG1 4.37Å; L233-I235 HydrophobicContact CD2-CD1 4.21Å; L233-I235 HydrophobicContact CD2-CG1 4.3Å; L233-I235 HydrophobicContact CG-CG1 4.1Å; I235-L246 HydrophobicContact CB-CD2 4.23Å; I235-L246 HydrophobicContact CG2-CD1 3.92Å; I235-L246 HydrophobicContact CG2-CD2 3.76Å; I235-M250 HydrophobicContact CD1-CE 4.3Å; I235-M250 HydrophobicContact CD1-SD 4.2Å; I235-I259 HydrophobicContact CD1-CD1 3.53Å; I235-I259 HydrophobicContact CD1-CG2 3.94Å; I235-F370 HydrophobicContact CB-CB 4.19Å; I235-F370 HydrophobicContact CB-CD1 4.24Å; I235-F370 HydrophobicContact CD1-CD1 3.55Å; I235-F370 HydrophobicContact CD1-CE1 4.05Å; I235-F370 HydrophobicContact CD1-CG 4.39Å; I235-F370 HydrophobicContact CG1-CD1 3.87Å; I235-F370 PolarHBondContact N-O 3.42Å; I235-F370 PolarHBondContact O-N 3.44Å
236	L	97.7	Very high	94.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.8	-173.9	-172.6	69.5	0	0	0	109.3	S218 R219 F363 R364 V365 H367 F369	S218-L236 CarbonylContact C-O 3.54Å; S218-L236 VanDerWaalsContact CA-O 3.28Å; S218-L236 WeakPolarHBondContact CA-O 3.4Å; S218-L236 WeakPolarHBondContact CB-O 3.3Å; R219-L236 PolarHBondContact N-O 2.72Å; R219-L236 PolarHBondContact O-N 2.89Å; L236-F363 HydrophobicContact CB-CE1 3.94Å; L236-F363 HydrophobicContact CB-CE2 4.43Å; L236-F363 HydrophobicContact CB-CZ 3.61Å; L236-F363 HydrophobicContact CD2-CD1 4.37Å; L236-F363 HydrophobicContact CD2-CE1 4.02Å; L236-F363 HydrophobicContact CD2-CZ 4.27Å; L236-R364 VanDerWaalsContact CD2-O 3.25Å; L236-R364 WeakPolarHBondContact CD2-O 3.42Å; L236-V365 HydrophobicContact CD1-CG1 4.31Å; L236-H367 VanDerWaalsContact CD1-CE1 3.47Å; L236-H367 WeakPolarHBondContact CD1-CE1 3.31Å; L236-H367 WeakPolarHBondContact CD1-NE2 3.49Å; L236-F369 HydrophobicContact CD1-CB 3.95Å
237	P	97.4	Very high	94.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	153.6	169.6	-22.9	33.5	0	0	0	112.6	S218 V239 L243 L246 H367 P368	S218-P237 WeakPolarHBondContact OG-CA 3.27Å; P237-V239 WeakPolarHBondContact CB-O 3.44Å; P237-V239 PolarHBondContact O-N 3.47Å; P237-L243 HydrophobicContact CG-CB 4.41Å; P237-L246 HydrophobicContact CG-CB 4.19Å; P237-L246 HydrophobicContact CG-CD2 3.86Å; P237-H367 PolarHBondContact O-CE1 2.84Å; P237-H367 PolarHBondContact O-NE2 3.44Å; P237-P368 WeakPolarHBondContact CD-O 3.12Å
238	D	96.4	Very high	94.6	Very high	82 Å²	82	34.7 Å²	34.7	44%	0.439	19%	0.192	S	C	.	.	S	Bend	trans	-75.9	-16.6	176.4	-68.5	-38.1	0	0	0	112.5	K217 S218 R219	K217-D238 PolarHBondContact O-N 3.26Å; S218-D238 PolarHBondContact N-OD2 3.08Å; R219-D238 IonicContact NE-OD1 2.65Å; R219-D238 PolarHBondContact NE-OD1 3.02Å; R219-D238 VanDerWaalsContact NE-OD1 3.15Å
239	V	95.9	Very high	94.5	Very high	80 Å²	80	31.3 Å²	31.3	49%	0.485	17%	0.171	S	C	.	.	S	Bend	trans	-124.4	145.4	178.3	-59.6	0	0	0	0	111.3	P237 N241 G242	P237-V239 WeakPolarHBondContact CB-O 3.44Å; P237-V239 PolarHBondContact O-N 3.47Å; V239-N241 VanDerWaalsContact C-N 3.28Å; V239-N241 PolarHBondContact O-N 3.02Å; V239-N241 VanDerWaalsContact O-N 3.13Å; V239-G242 PolarHBondContact O-N 2.92Å
240	N	93.9	Very high	94.1	Very high	62 Å²	62	27.3 Å²	27.3	33%	0.332	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.1	-170	-66.1	-4.3	0	0	0	115	Y190 H367	Y190-N240 WeakPolarHBondContact CB-ND2 3.42Å; Y190-N240 WeakPolarHBondContact CD1-ND2 3.34Å; Y190-N240 WeakPolarHBondContact CD2-ND2 3.4Å; N240-H367 HydrophobicContact CB-CB 4Å
241	N	92.3	Very high	93.3	Very high	105 Å²	105	32 Å²	32	56%	0.561	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	16.9	179.3	65.5	-19.4	0	0	0	112.8	V239 L243 P244	V239-N241 VanDerWaalsContact C-N 3.28Å; V239-N241 PolarHBondContact O-N 3.02Å; V239-N241 VanDerWaalsContact O-N 3.13Å; N241-L243 PolarHBondContact O-N 3.34Å; N241-P244 VanDerWaalsContact O-CD 3.3Å; N241-P244 WeakPolarHBondContact O-CD 3.42Å
242	G	94.7	Very high	92.4	Very high	6 Å²	6	38.2 Å²	38.2	6%	0.062	20%	0.198	C	C	.	.			trans	-82.4	-4.3	-172.9	0	0	0	0	0	115.2	V239 D245 L246	V239-G242 PolarHBondContact O-N 2.92Å; G242-D245 PolarHBondContact O-N 2.92Å; G242-L246 WeakPolarHBondContact O-CB 3.36Å; G242-L246 PolarHBondContact O-N 2.74Å
243	L	94.4	Very high	91	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.7	-45.4	-178.7	177.5	69.8	0	0	0	112.9	L192 P237 N241 D245 L246 L247 P368 H385 T387	L192-L243 HydrophobicContact CD2-CB 4.25Å; P237-L243 HydrophobicContact CG-CB 4.41Å; N241-L243 PolarHBondContact O-N 3.34Å; L243-D245 VanDerWaalsContact C-N 3.32Å; L243-D245 PolarHBondContact O-N 2.97Å; L243-L246 HydrophobicContact CD1-CD2 4.31Å; L243-L246 WeakPolarHBondContact O-CB 3.49Å; L243-L246 PolarHBondContact O-N 3.23Å; L243-L247 HydrophobicContact CD1-CD1 4.11Å; L243-L247 HydrophobicContact CD1-CD2 4.31Å; L243-L247 HydrophobicContact CD1-CG 3.98Å; L243-L247 HydrophobicContact CD2-CD1 4.49Å; L243-L247 HydrophobicContact CG-CD1 3.98Å; L243-L247 HydrophobicContact CG-CG 4.25Å; L243-L247 WeakPolarHBondContact O-CG 3.27Å; L243-L247 PolarHBondContact O-N 3.06Å; L243-P368 HydrophobicContact CB-CB 3.77Å; L243-P368 HydrophobicContact CD2-CB 3.61Å; L243-P368 HydrophobicContact CG-CB 4.27Å; L243-H385 HydrophobicContact CD1-CB 4.15Å; L243-H385 HydrophobicContact CD2-CB 4.05Å; L243-T387 HydrophobicContact CD2-CG2 3.7Å
244	P	92.7	Very high	89.3	Confident	25 Å²	25	45 Å²	45	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-41.7	177.1	-25.2	36.9	0	0	0	112.7	W26 L192 N241 L247 N248	W26-P244 HydrophobicContact CZ2-CB 3.81Å; W26-P244 HydrophobicContact CZ2-CG 4.37Å; L192-P244 HydrophobicContact CD2-CG 4.39Å; N241-P244 VanDerWaalsContact O-CD 3.3Å; N241-P244 WeakPolarHBondContact O-CD 3.42Å; P244-L247 PolarHBondContact O-N 3.47Å; P244-N248 VanDerWaalsContact O-CB 3.31Å; P244-N248 WeakPolarHBondContact O-CB 3.33Å; P244-N248 PolarHBondContact O-N 2.92Å; P244-N248 PolarHBondContact O-ND2 3.3Å; P244-N248 VanDerWaalsContact O-ND2 3.17Å
245	D	92.1	Very high	88.6	Confident	92 Å²	92	51.7 Å²	51.7	49%	0.492	26%	0.256	S	S	.	.	H	α-helix	trans	-66.1	-39.9	176.8	-77.2	-9.2	0	0	0	111.7	G242 L243 S249	G242-D245 PolarHBondContact O-N 2.92Å; L243-D245 VanDerWaalsContact C-N 3.32Å; L243-D245 PolarHBondContact O-N 2.97Å; D245-S249 WeakPolarHBondContact O-CB 3.3Å; D245-S249 PolarHBondContact O-N 3.43Å; D245-S249 PolarHBondContact O-OG 2.89Å
246	L	93.4	Very high	88	Confident	1 Å²	1	52 Å²	52	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-52.6	173.3	166.4	60.5	0	0	0	110.5	L216 I235 P237 G242 L243 N248 S249 M250 F370	L216-L246 HydrophobicContact CB-CD1 3.97Å; L216-L246 HydrophobicContact CD1-CD1 4.05Å; L216-L246 HydrophobicContact CG-CD1 4.48Å; I235-L246 HydrophobicContact CB-CD2 4.23Å; I235-L246 HydrophobicContact CG2-CD1 3.92Å; I235-L246 HydrophobicContact CG2-CD2 3.76Å; P237-L246 HydrophobicContact CG-CB 4.19Å; P237-L246 HydrophobicContact CG-CD2 3.86Å; G242-L246 WeakPolarHBondContact O-CB 3.36Å; G242-L246 PolarHBondContact O-N 2.74Å; L243-L246 HydrophobicContact CD1-CD2 4.31Å; L243-L246 WeakPolarHBondContact O-CB 3.49Å; L243-L246 PolarHBondContact O-N 3.23Å; L246-N248 PolarHBondContact O-N 2.86Å; L246-S249 PolarHBondContact O-N 3.45Å; L246-S249 VanDerWaalsContact O-N 3.11Å; L246-M250 HydrophobicContact CD1-CG 3.81Å; L246-M250 HydrophobicContact CD1-SD 3.88Å; L246-M250 HydrophobicContact CG-CG 4.45Å; L246-M250 HydrophobicContact CG-SD 4.15Å; L246-M250 WeakPolarHBondContact O-CG 3.3Å; L246-M250 PolarHBondContact O-N 2.92Å; L246-F370 HydrophobicContact CD2-CB 4.17Å
247	L	91.8	Very high	87.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-42.9	-178.5	-65.4	177.3	0	0	0	111.6	Y15 I19 W26 L243 P244 S249 M250 Y251 F370 H385	Y15-L247 HydrophobicContact CE1-CD2 4.31Å; I19-L247 HydrophobicContact CD1-CB 4.17Å; I19-L247 HydrophobicContact CD1-CD2 4.24Å; I19-L247 HydrophobicContact CG2-CB 4.38Å; W26-L247 HydrophobicContact CE3-CD1 3.87Å; W26-L247 HydrophobicContact CH2-CB 4.38Å; W26-L247 HydrophobicContact CH2-CD1 3.93Å; W26-L247 HydrophobicContact CZ3-CD1 3.36Å; L243-L247 HydrophobicContact CD1-CD1 4.11Å; L243-L247 HydrophobicContact CD1-CD2 4.31Å; L243-L247 HydrophobicContact CD1-CG 3.98Å; L243-L247 HydrophobicContact CD2-CD1 4.49Å; L243-L247 HydrophobicContact CG-CD1 3.98Å; L243-L247 HydrophobicContact CG-CG 4.25Å; L243-L247 WeakPolarHBondContact O-CG 3.27Å; L243-L247 PolarHBondContact O-N 3.06Å; P244-L247 PolarHBondContact O-N 3.47Å; L247-S249 VanDerWaalsContact C-N 3.3Å; L247-S249 PolarHBondContact O-N 3.07Å; L247-M250 PolarHBondContact O-N 2.88Å; L247-Y251 PolarHBondContact O-N 2.8Å; L247-F370 HydrophobicContact CD2-CD2 4Å; L247-H385 HydrophobicContact CD1-CB 4.31Å
248	N	89.4	Confident	86.9	Confident	62 Å²	62	56.5 Å²	56.5	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-34.5	174.2	-75.1	-29.3	0	0	0	112.9	P244 L246 Y251 K252	P244-N248 VanDerWaalsContact O-CB 3.31Å; P244-N248 WeakPolarHBondContact O-CB 3.33Å; P244-N248 PolarHBondContact O-N 2.92Å; P244-N248 PolarHBondContact O-ND2 3.3Å; P244-N248 VanDerWaalsContact O-ND2 3.17Å; L246-N248 PolarHBondContact O-N 2.86Å; N248-Y251 WeakPolarHBondContact O-CB 2.96Å; N248-K252 WeakPolarHBondContact O-CG 3.4Å; N248-K252 PolarHBondContact O-N 2.93Å; N248-K252 VanDerWaalsContact O-N 3.11Å
249	S	88.1	Confident	86.6	Confident	31 Å²	31	52.6 Å²	52.6	22%	0.217	27%	0.268	C	S	.	.	H	α-helix	trans	-78.6	-36.7	179.1	-58.6	0	0	0	0	112.2	L216 D245 L246 L247 Y251 K252 H253	L216-S249 VanDerWaalsContact CD2-CB 3.48Å; D245-S249 WeakPolarHBondContact O-CB 3.3Å; D245-S249 PolarHBondContact O-N 3.43Å; D245-S249 PolarHBondContact O-OG 2.89Å; L246-S249 PolarHBondContact O-N 3.45Å; L246-S249 VanDerWaalsContact O-N 3.11Å; L247-S249 VanDerWaalsContact C-N 3.3Å; L247-S249 PolarHBondContact O-N 3.07Å; S249-Y251 PolarHBondContact O-N 2.9Å; S249-K252 PolarHBondContact O-N 2.82Å; S249-H253 PolarHBondContact O-N 2.82Å
250	M	86.2	Confident	86.3	Confident	11 Å²	11	49.8 Å²	49.8	5%	0.054	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-40.7	170.2	-74.3	-176.3	62.8	0	0	110.6	L216 I235 L246 L247 G254 R255 I259 F370	L216-M250 HydrophobicContact CD1-CG 4.14Å; I235-M250 HydrophobicContact CD1-CE 4.3Å; I235-M250 HydrophobicContact CD1-SD 4.2Å; L246-M250 HydrophobicContact CD1-CG 3.81Å; L246-M250 HydrophobicContact CD1-SD 3.88Å; L246-M250 HydrophobicContact CG-CG 4.45Å; L246-M250 HydrophobicContact CG-SD 4.15Å; L246-M250 WeakPolarHBondContact O-CG 3.3Å; L246-M250 PolarHBondContact O-N 2.92Å; L247-M250 PolarHBondContact O-N 2.88Å; M250-G254 CarbonylContact O-C 3.54Å; M250-G254 PolarHBondContact O-N 2.92Å; M250-R255 PolarHBondContact O-N 3.02Å; M250-R255 VanDerWaalsContact O-N 3.15Å; M250-I259 HydrophobicContact CE-CD1 3.76Å; M250-I259 HydrophobicContact CG-CD1 3.95Å; M250-I259 HydrophobicContact SD-CD1 4.06Å; M250-F370 HydrophobicContact CE-CD1 4.41Å; M250-F370 HydrophobicContact CE-CD2 4.37Å; M250-F370 HydrophobicContact CE-CE1 4.22Å; M250-F370 HydrophobicContact CE-CE2 4.21Å; M250-F370 HydrophobicContact CE-CG 4.48Å; M250-F370 HydrophobicContact CE-CZ 4.13Å; M250-F370 HydrophobicContact SD-CD2 4.37Å; M250-F370 HydrophobicContact SD-CG 4.27Å
251	Y	79.1	Confident	86	Confident	102 Å²	102	51.8 Å²	51.8	40%	0.4	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-55.2	171.5	157.5	-119.4	0	0	0	112.5	E16 L247 N248 S249	E16-Y251 HydrophobicContact CB-CD2 4.45Å; E16-Y251 HydrophobicContact CG-CD2 3.5Å; E16-Y251 VanDerWaalsContact CG-CD2 3.5Å; E16-Y251 HydrophobicContact CG-CE2 3.79Å; E16-Y251 HydrophobicContact CG-CG 4.43Å; E16-Y251 WeakPolarHBondContact OE1-CE2 3.34Å; L247-Y251 PolarHBondContact O-N 2.8Å; N248-Y251 WeakPolarHBondContact O-CB 2.96Å; S249-Y251 PolarHBondContact O-N 2.9Å
252	K	77.4	Confident	85.9	Confident	141 Å²	141	48.3 Å²	48.3	61%	0.613	25%	0.253	S	S	*	.	H	α-helix	trans	-75.4	-34.1	-171.2	-71.1	178.9	-177.8	176.5	0	114.9	N248 S249	N248-K252 WeakPolarHBondContact O-CG 3.4Å; N248-K252 PolarHBondContact O-N 2.93Å; N248-K252 VanDerWaalsContact O-N 3.11Å; S249-K252 PolarHBondContact O-N 2.82Å
253	H	66.6	Low	85.7	Confident	139 Å²	139	52.4 Å²	52.4	64%	0.644	28%	0.281	S	S	*	.	H	α-helix	trans	-130.4	-18.4	-158.5	-64.3	-56.7	0	0	0	115.5	S249	S249-H253 PolarHBondContact O-N 2.82Å
254	G	62.1	Low	85.8	Confident	4 Å²	4	54 Å²	54	4%	0.041	29%	0.288	C	S	.	.			trans	-170.1	64.1	-167.8	0	0	0	0	0	114.1	M250	M250-G254 CarbonylContact O-C 3.54Å; M250-G254 PolarHBondContact O-N 2.92Å
255	R	81.7	Confident	85.9	Confident	141 Å²	141	58.8 Å²	58.8	53%	0.532	31%	0.308	S	S	.	.			trans	-23.4	153	163.8	-68.9	175.2	-174.4	173.8	1.6	113.4	D12 M250 S257 S258 I259	D12-R255 HydrophobicContact CB-CG 4.15Å; D12-R255 WeakPolarHBondContact OD2-CB 3.37Å; D12-R255 WeakPolarHBondContact OD2-CD 3.29Å; M250-R255 PolarHBondContact O-N 3.02Å; M250-R255 VanDerWaalsContact O-N 3.15Å; R255-S257 PolarHBondContact O-N 2.9Å; R255-S258 WeakPolarHBondContact O-CA 3.2Å; R255-S258 VanDerWaalsContact O-CB 3.26Å; R255-S258 WeakPolarHBondContact O-CB 3.3Å; R255-S258 PolarHBondContact O-N 2.61Å; R255-I259 PolarHBondContact O-N 2.86Å
256	I	85.6	Confident	86.1	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-53.2	-34.5	-175.2	-164.9	164.6	0	0	0	113	D12 S258 I259 L260 F370 I374 P380 L383	D12-I256 WeakPolarHBondContact OD1-CG2 3.37Å; D12-I256 PolarHBondContact OD1-N 2.8Å; I256-S258 PolarHBondContact O-N 2.69Å; I256-I259 WeakPolarHBondContact O-CB 2.93Å; I256-I259 PolarHBondContact O-N 2.8Å; I256-I259 VanDerWaalsContact O-N 3.12Å; I256-L260 WeakPolarHBondContact O-CG 3.11Å; I256-L260 PolarHBondContact O-N 2.77Å; I256-F370 HydrophobicContact CD1-CE1 3.89Å; I256-F370 HydrophobicContact CD1-CZ 3.71Å; I256-I374 HydrophobicContact CD1-CD1 4.43Å; I256-P380 HydrophobicContact CB-CG 4.45Å; I256-P380 HydrophobicContact CD1-CB 3.86Å; I256-P380 HydrophobicContact CD1-CG 3.72Å; I256-P380 HydrophobicContact CG1-CG 4.12Å; I256-P380 HydrophobicContact CG2-CG 3.5Å; I256-P380 VanDerWaalsContact CG2-CG 3.5Å; I256-L383 HydrophobicContact CD1-CD2 4.5Å
257	S	84.4	Confident	86.1	Confident	40 Å²	40	61.1 Å²	61.1	28%	0.28	32%	0.322	S	S	.	.	H	α-helix	trans	-56.6	-40.8	172.7	50	0	0	0	0	114.1	D12 R255 I259 L260 S261	D12-S257 PolarHBondContact OD2-OG 2.9Å; R255-S257 PolarHBondContact O-N 2.9Å; S257-I259 VanDerWaalsContact C-N 3.34Å; S257-L260 PolarHBondContact O-N 2.7Å; S257-S261 WeakPolarHBondContact O-CB 3.23Å; S257-S261 PolarHBondContact O-N 3.47Å; S257-S261 PolarHBondContact O-OG 2.76Å
258	S	87.1	Confident	86.3	Confident	57 Å²	57	65.1 Å²	65.1	40%	0.399	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-38.2	174.4	-174	0	0	0	0	111.9	R255 I256 S261 S262	R255-S258 WeakPolarHBondContact O-CA 3.2Å; R255-S258 VanDerWaalsContact O-CB 3.26Å; R255-S258 WeakPolarHBondContact O-CB 3.3Å; R255-S258 PolarHBondContact O-N 2.61Å; I256-S258 PolarHBondContact O-N 2.69Å; S258-S261 PolarHBondContact O-N 3.48Å; S258-S262 PolarHBondContact O-N 3.42Å
259	I	89.8	Confident	86.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-69.7	-43.7	178.7	-58.6	175.8	0	0	0	109.9	L213 L216 L233 I235 M250 R255 I256 S257 S261 S262 F264	L213-I259 HydrophobicContact CD1-CG2 3.81Å; L213-I259 HydrophobicContact CD2-CG2 4.5Å; L216-I259 HydrophobicContact CD1-CD1 3.58Å; L216-I259 HydrophobicContact CD1-CG1 4.01Å; L233-I259 HydrophobicContact CD2-CG2 4.49Å; I235-I259 HydrophobicContact CD1-CD1 3.53Å; I235-I259 HydrophobicContact CD1-CG2 3.94Å; M250-I259 HydrophobicContact CE-CD1 3.76Å; M250-I259 HydrophobicContact CG-CD1 3.95Å; M250-I259 HydrophobicContact SD-CD1 4.06Å; R255-I259 PolarHBondContact O-N 2.86Å; I256-I259 WeakPolarHBondContact O-CB 2.93Å; I256-I259 PolarHBondContact O-N 2.8Å; I256-I259 VanDerWaalsContact O-N 3.12Å; S257-I259 VanDerWaalsContact C-N 3.34Å; I259-S261 PolarHBondContact O-N 3.39Å; I259-S262 VanDerWaalsContact O-CB 3.23Å; I259-S262 WeakPolarHBondContact O-CB 3.38Å; I259-S262 PolarHBondContact O-N 2.94Å; I259-S262 PolarHBondContact O-OG 3.5Å; I259-F264 WeakPolarHBondContact O-CE2 3.4Å
260	L	89.1	Confident	87	Confident	21 Å²	21	61.8 Å²	61.8	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-30.8	174.5	-66.1	175.4	0	0	0	112.8	L233 I256 S257 S262 I374 S378 P380	L233-L260 HydrophobicContact CD2-CD2 3.96Å; I256-L260 WeakPolarHBondContact O-CG 3.11Å; I256-L260 PolarHBondContact O-N 2.77Å; S257-L260 PolarHBondContact O-N 2.7Å; L260-S262 VanDerWaalsContact C-N 3.28Å; L260-I374 HydrophobicContact CD1-CD1 4.05Å; L260-I374 HydrophobicContact CD1-CG2 4.21Å; L260-I374 HydrophobicContact CD2-CD1 3.82Å; L260-I374 HydrophobicContact CD2-CG1 3.78Å; L260-I374 HydrophobicContact CD2-CG2 4.06Å; L260-I374 HydrophobicContact CG-CD1 4.46Å; L260-S378 WeakPolarHBondContact CD1-O 3.4Å; L260-P380 HydrophobicContact CD1-CG 4.4Å
261	S	88.9	Confident	87.5	Confident	104 Å²	104	61.2 Å²	61.2	73%	0.727	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.1	176.6	-53.8	0	0	0	0	113.8	S257 S258 I259	S257-S261 WeakPolarHBondContact O-CB 3.23Å; S257-S261 PolarHBondContact O-N 3.47Å; S257-S261 PolarHBondContact O-OG 2.76Å; S258-S261 PolarHBondContact O-N 3.48Å; I259-S261 PolarHBondContact O-N 3.39Å
262	S	90.3	Very high	88.3	Confident	32 Å²	32	57.8 Å²	57.8	22%	0.224	30%	0.303	C	S	.	.	S	Bend	trans	-69.2	157.8	177.6	72.3	0	0	0	0	111.8	S258 I259 L260 F264	S258-S262 PolarHBondContact O-N 3.42Å; I259-S262 VanDerWaalsContact O-CB 3.23Å; I259-S262 WeakPolarHBondContact O-CB 3.38Å; I259-S262 PolarHBondContact O-N 2.94Å; I259-S262 PolarHBondContact O-OG 3.5Å; L260-S262 VanDerWaalsContact C-N 3.28Å; S262-F264 WeakPolarHBondContact O-CD2 3.31Å; S262-F264 PolarHBondContact O-N 3.15Å; S262-F264 WeakPolarHBondContact OG-CE2 3.44Å
263	S	90.3	Very high	89.2	Confident	92 Å²	92	51.1 Å²	51.1	64%	0.643	27%	0.274	S	S	*	.			trans	-74.6	86.5	-179.9	175	0	0	0	0	111.2	Q265	S263-Q265 PolarHBondContact O-N 3.37Å
264	F	95	Very high	90.4	Very high	33 Å²	33	44.5 Å²	44.5	15%	0.145	24%	0.244	C	C	.	.			trans	-70.1	125.5	167.5	-74.5	-92.1	0	0	0	110.6	N209 M210 A211 A220 K222 L233 I259 S262	N209-F264 HydrophobicContact CB-CB 4.09Å; N209-F264 HydrophobicContact CB-CD1 4.34Å; N209-F264 WeakPolarHBondContact O-CD1 3.38Å; M210-F264 WeakPolarHBondContact O-CA 3.37Å; A211-F264 HydrophobicContact CB-CD1 3.75Å; A211-F264 HydrophobicContact CB-CD2 4.32Å; A211-F264 HydrophobicContact CB-CE1 3.77Å; A211-F264 HydrophobicContact CB-CE2 4.34Å; A211-F264 HydrophobicContact CB-CG 4.04Å; A211-F264 HydrophobicContact CB-CZ 4.06Å; A220-F264 HydrophobicContact CB-CE1 3.96Å; A220-F264 HydrophobicContact CB-CZ 4.07Å; K222-F264 HydrophobicContact CD-CD1 4.22Å; K222-F264 HydrophobicContact CD-CD2 4.41Å; K222-F264 HydrophobicContact CD-CE1 4.29Å; K222-F264 HydrophobicContact CD-CE2 4.47Å; K222-F264 HydrophobicContact CD-CG 4.29Å; K222-F264 HydrophobicContact CD-CZ 4.42Å; K222-F264 HydrophobicContact CG-CD1 4.13Å; K222-F264 HydrophobicContact CG-CE1 3.88Å; K222-F264 HydrophobicContact CG-CZ 4.22Å; L233-F264 HydrophobicContact CD1-CE1 4.18Å; L233-F264 HydrophobicContact CD1-CZ 3.82Å; I259-F264 WeakPolarHBondContact O-CE2 3.4Å; S262-F264 WeakPolarHBondContact O-CD2 3.31Å; S262-F264 PolarHBondContact O-N 3.15Å; S262-F264 WeakPolarHBondContact OG-CE2 3.44Å
265	Q	95	Very high	91.6	Very high	126 Å²	126	47.4 Å²	47.4	59%	0.589	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	134.9	177.7	-64.1	-174.6	-10.4	0	0	110.3	M210 S263 T267	M210-Q265 PolarHBondContact N-O 2.81Å; M210-Q265 PolarHBondContact O-N 3.11Å; S263-Q265 PolarHBondContact O-N 3.37Å; Q265-T267 PolarHBondContact O-N 3.29Å; Q265-T267 PolarHBondContact O-OG1 3.28Å
266	N	95.9	Very high	91.5	Very high	106 Å²	106	41.8 Å²	41.8	57%	0.567	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	104.5	174.7	-169.8	32.7	0	0	0	109.6	Y207	Y207-N266 WeakPolarHBondContact CB-OD1 3.4Å
267	T	94.9	Very high	91.1	Very high	37 Å²	37	45.6 Å²	45.6	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.9	-166.4	-56.2	0	0	0	0	109.7	Y207 F208 Q265 L269 P361	Y207-T267 WeakPolarHBondContact CA-O 3.43Å; F208-T267 PolarHBondContact N-O 3.01Å; F208-T267 PolarHBondContact O-N 3.06Å; Q265-T267 PolarHBondContact O-N 3.29Å; Q265-T267 PolarHBondContact O-OG1 3.28Å; T267-L269 PolarHBondContact O-N 2.93Å; T267-P361 HydrophobicContact CG2-CG 4.13Å
268	K	96.1	Very high	90.8	Very high	84 Å²	84	44.5 Å²	44.5	37%	0.365	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	122	169.4	-166.8	-178.6	-177.9	-163.5	0	108.8	E205 S206 Y207 V360 P361	E205-K268 WeakPolarHBondContact OE1-CE 3.18Å; E205-K268 IonicContact OE1-NZ 3.96Å; E205-K268 PolarHBondContact OE1-NZ 3.37Å; S206-K268 WeakPolarHBondContact O-CA 3.29Å; Y207-K268 HydrophobicContact CD1-CB 4.1Å; Y207-K268 HydrophobicContact CE1-CB 3.75Å; Y207-K268 HydrophobicContact CE2-CB 4.42Å; Y207-K268 HydrophobicContact CE2-CG 4.33Å; K268-V360 HydrophobicContact CD-CG2 4.25Å; K268-V360 HydrophobicContact CG-CG1 4.25Å; K268-V360 WeakPolarHBondContact O-CG1 3.33Å; K268-P361 WeakPolarHBondContact O-CD 3.26Å; K268-P361 WeakPolarHBondContact O-CG 3.18Å
269	L	95.1	Very high	89.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.2	-166.3	-174.9	72.5	0	0	0	111.1	E205 S206 F208 M210 V221 T267 L271 P361 F363	E205-L269 WeakPolarHBondContact CA-O 2.89Å; S206-L269 PolarHBondContact N-O 2.81Å; S206-L269 PolarHBondContact O-N 3.46Å; F208-L269 HydrophobicContact CB-CD2 4.27Å; F208-L269 HydrophobicContact CD2-CB 4.26Å; F208-L269 HydrophobicContact CD2-CD2 4.3Å; M210-L269 HydrophobicContact SD-CD1 3.97Å; V221-L269 HydrophobicContact CG2-CD2 4.02Å; T267-L269 PolarHBondContact O-N 2.93Å; L269-L271 HydrophobicContact CD2-CB 4.3Å; L269-L271 HydrophobicContact CD2-CD1 4.47Å; L269-L271 PolarHBondContact O-N 3.19Å; L269-P361 HydrophobicContact CD1-CB 4.27Å; L269-P361 HydrophobicContact CD1-CG 4.2Å; L269-P361 VanDerWaalsContact CD1-O 3.3Å; L269-P361 WeakPolarHBondContact CD1-O 3.49Å; L269-F363 HydrophobicContact CD1-CB 3.75Å; L269-F363 HydrophobicContact CD2-CB 3.6Å; L269-F363 HydrophobicContact CD2-CG 4.35Å; L269-F363 HydrophobicContact CG-CB 3.93Å
270	N	96.2	Very high	88	Confident	22 Å²	22	51.4 Å²	51.4	12%	0.118	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	96.7	160.8	-84.3	-52.7	0	0	0	108.4	H203 Y272 P361 E362 F363	H203-N270 PolarHBondContact NE2-OD1 2.98Å; N270-Y272 HydrophobicContact CB-CE2 3.94Å; N270-P361 PolarHBondContact N-O 2.92Å; N270-E362 HydrophobicContact CB-CG 3.98Å; N270-E362 WeakPolarHBondContact O-CA 3.35Å; N270-F363 PolarHBondContact O-N 2.95Å
271	L	97.1	Very high	86.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.9	179.8	178.8	61.1	0	0	0	109.7	F179 H203 N204 F208 V221 I223 L269 F363	F179-L271 HydrophobicContact CE1-CD2 4.12Å; F179-L271 HydrophobicContact CE1-CG 4.22Å; F179-L271 HydrophobicContact CZ-CD2 3.81Å; F179-L271 HydrophobicContact CZ-CG 4.33Å; H203-L271 WeakPolarHBondContact CA-O 3.46Å; N204-L271 PolarHBondContact N-O 2.81Å; N204-L271 PolarHBondContact O-N 3.47Å; F208-L271 HydrophobicContact CD1-CD2 4.26Å; F208-L271 HydrophobicContact CD2-CB 4.24Å; F208-L271 HydrophobicContact CD2-CD2 4.22Å; F208-L271 HydrophobicContact CE1-CD2 3.92Å; F208-L271 HydrophobicContact CE2-CB 3.89Å; F208-L271 HydrophobicContact CE2-CD2 3.86Å; F208-L271 HydrophobicContact CG-CD2 4.41Å; F208-L271 HydrophobicContact CZ-CB 4.48Å; F208-L271 HydrophobicContact CZ-CD2 3.71Å; V221-L271 HydrophobicContact CG1-CD1 4.3Å; I223-L271 HydrophobicContact CD1-CD2 3.77Å; I223-L271 HydrophobicContact CG1-CD2 3.91Å; L269-L271 HydrophobicContact CD2-CB 4.3Å; L269-L271 HydrophobicContact CD2-CD1 4.47Å; L269-L271 PolarHBondContact O-N 3.19Å; L271-F363 HydrophobicContact CD1-CB 4.22Å; L271-F363 HydrophobicContact CD1-CD1 3.9Å; L271-F363 HydrophobicContact CD1-CG 4.4Å
272	Y	96.4	Very high	85.9	Confident	29 Å²	29	55.9 Å²	55.9	11%	0.114	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.9	171	-59.8	-90.2	0	0	0	109.9	H185 L201 M202 H203 N270 E362 F363 R364 V365	H185-Y272 AromaticContact CE1-CD1 3.83Å; H185-Y272 AromaticContact CE1-CE1 3.74Å; L201-Y272 HydrophobicContact CD2-CD1 3.84Å; L201-Y272 HydrophobicContact CD2-CG 4.03Å; L201-Y272 HydrophobicContact CG-CD1 4.33Å; M202-Y272 VanDerWaalsContact O-CA 3.29Å; M202-Y272 WeakPolarHBondContact O-CA 3.4Å; H203-Y272 HydrophobicContact CB-CD1 3.74Å; H203-Y272 HydrophobicContact CB-CE1 3.71Å; H203-Y272 AromaticContact CD2-CD1 3.75Å; H203-Y272 AromaticContact CD2-CE1 3.26Å; H203-Y272 WeakPolarHBondContact CD2-CE1 3.22Å; H203-Y272 AromaticContact CD2-CE2 4Å; H203-Y272 AromaticContact CD2-CZ 3.39Å; H203-Y272 AromaticContact CG-CE1 3.59Å; H203-Y272 AromaticContact NE2-CZ 3.92Å; N270-Y272 HydrophobicContact CB-CE2 3.94Å; Y272-E362 HydrophobicContact CE2-CG 4.19Å; Y272-F363 PolarHBondContact N-O 3.13Å; Y272-R364 HydrophobicContact CD2-CB 4.2Å; Y272-R364 HydrophobicContact CD2-CG 4.44Å; Y272-R364 HydrophobicContact CG-CG 4.41Å; Y272-R364 VanDerWaalsContact CZ-NH2 3.34Å; Y272-V365 PolarHBondContact O-N 3.05Å
273	L	95	Very high	85.8	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.2	-175.6	-172.5	74.5	0	0	0	109.6	W175 F179 M202 I223 V234 F276 V365	W175-L273 HydrophobicContact CH2-CD2 3.9Å; W175-L273 HydrophobicContact CZ2-CD2 3.66Å; F179-L273 HydrophobicContact CE1-CB 4.28Å; F179-L273 HydrophobicContact CE2-CD2 4.38Å; F179-L273 HydrophobicContact CZ-CB 4.12Å; F179-L273 HydrophobicContact CZ-CD2 4.19Å; M202-L273 WeakPolarHBondContact CB-O 3.26Å; M202-L273 HydrophobicContact CE-CB 4.23Å; M202-L273 HydrophobicContact CE-CD2 3.93Å; M202-L273 HydrophobicContact CE-CG 4.22Å; M202-L273 PolarHBondContact N-O 3.37Å; M202-L273 PolarHBondContact O-N 3.03Å; I223-L273 HydrophobicContact CD1-CD1 4.28Å; I223-L273 HydrophobicContact CD1-CD2 4.05Å; V234-L273 HydrophobicContact CG2-CD1 4.33Å; L273-F276 HydrophobicContact CD1-CE1 4.41Å; L273-V365 HydrophobicContact CD1-CB 4.36Å; L273-V365 HydrophobicContact CD1-CG2 4.05Å
274	P	92.5	Very high	85.8	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	147.4	177	22.9	-29	0	0	0	110.5	V199 E200 L201 F276 V365 F369 L389	V199-P274 HydrophobicContact CG2-CB 4.5Å; E200-P274 WeakPolarHBondContact O-CA 3.44Å; L201-P274 HydrophobicContact CD1-CB 4.42Å; P274-F276 HydrophobicContact CB-CD1 4.37Å; P274-F276 HydrophobicContact CG-CD1 3.96Å; P274-F276 HydrophobicContact CG-CE1 4.32Å; P274-F276 WeakPolarHBondContact O-CD1 3.33Å; P274-F276 PolarHBondContact O-N 3.5Å; P274-V365 WeakPolarHBondContact CD-O 3.38Å; P274-V365 HydrophobicContact CG-CG1 4.19Å; P274-F369 HydrophobicContact CG-CE1 4.31Å; P274-L389 HydrophobicContact CB-CD1 3.47Å; P274-L389 VanDerWaalsContact CB-CD1 3.47Å; P274-L389 HydrophobicContact CG-CD1 3.75Å; P274-L389 HydrophobicContact CG-CD2 4.47Å
275	K	86.5	Confident	85.7	Confident	65 Å²	65	56.2 Å²	56.2	28%	0.283	26%	0.262	S	S	.	.			trans	-71.9	119.9	162.5	-68.4	-168.9	179.5	173	0	108.1	E181 E200 M202 E330	E181-K275 VanDerWaalsContact CD-NZ 3.28Å; E181-K275 IonicContact OE1-NZ 3.89Å; E181-K275 PolarHBondContact OE1-NZ 3.25Å; E181-K275 VanDerWaalsContact OE1-NZ 3.14Å; E181-K275 IonicContact OE2-NZ 3.28Å; E181-K275 PolarHBondContact OE2-NZ 3.13Å; E200-K275 HydrophobicContact CB-CD 4.48Å; E200-K275 HydrophobicContact CG-CD 4.18Å; E200-K275 PolarHBondContact O-N 2.99Å; E200-K275 VanDerWaalsContact OE1-CE 3.29Å; E200-K275 WeakPolarHBondContact OE1-CE 3.5Å; E200-K275 IonicContact OE1-NZ 3.46Å; E200-K275 PolarHBondContact OE1-NZ 3.3Å; E200-K275 IonicContact OE2-NZ 3.53Å; M202-K275 HydrophobicContact CE-CG 4.25Å; M202-K275 HydrophobicContact CG-CD 4.17Å; M202-K275 HydrophobicContact CG-CG 3.47Å; M202-K275 VanDerWaalsContact CG-CG 3.47Å; M202-K275 HydrophobicContact SD-CD 4.39Å; M202-K275 HydrophobicContact SD-CG 3.67Å; K275-E330 WeakPolarHBondContact CE-OE1 3.34Å; K275-E330 IonicContact NZ-OE1 2.82Å; K275-E330 PolarHBondContact NZ-OE1 3.34Å
276	F	79.9	Confident	85.7	Confident	23 Å²	23	50.2 Å²	50.2	10%	0.101	23%	0.234	C	C	.	.			trans	-146.8	149.4	174.6	64.7	-88.6	0	0	0	111.6	L273 P274 L278 F326 F369 I371 L389	L273-F276 HydrophobicContact CD1-CE1 4.41Å; P274-F276 HydrophobicContact CB-CD1 4.37Å; P274-F276 HydrophobicContact CG-CD1 3.96Å; P274-F276 HydrophobicContact CG-CE1 4.32Å; P274-F276 WeakPolarHBondContact O-CD1 3.33Å; P274-F276 PolarHBondContact O-N 3.5Å; F276-L278 HydrophobicContact CD2-CD1 4.41Å; F276-L278 HydrophobicContact CD2-CD2 4.03Å; F276-L278 HydrophobicContact CD2-CG 3.89Å; F276-L278 HydrophobicContact CE2-CD1 4.11Å; F276-L278 HydrophobicContact CE2-CD2 4.49Å; F276-L278 HydrophobicContact CE2-CG 4.07Å; F276-F326 HydrophobicContact CD2-CD1 4.41Å; F276-F326 HydrophobicContact CD2-CE1 4.4Å; F276-F326 AromaticContact CE2-CD1 3.77Å; F276-F326 HydrophobicContact CE2-CD1 3.77Å; F276-F326 AromaticContact CE2-CE1 3.58Å; F276-F326 HydrophobicContact CE2-CE1 3.58Å; F276-F326 AromaticContact CZ-CE1 3.91Å; F276-F326 HydrophobicContact CZ-CE1 3.91Å; F276-F369 HydrophobicContact CD1-CZ 4.29Å; F276-F369 HydrophobicContact CE1-CE2 4.3Å; F276-F369 AromaticContact CE1-CZ 3.78Å; F276-F369 HydrophobicContact CE1-CZ 3.78Å; F276-F369 HydrophobicContact CZ-CE2 4.1Å; F276-F369 AromaticContact CZ-CZ 3.94Å; F276-F369 HydrophobicContact CZ-CZ 3.94Å; F276-I371 HydrophobicContact CE2-CD1 3.54Å; F276-I371 HydrophobicContact CZ-CD1 3.44Å; F276-I371 VanDerWaalsContact CZ-CD1 3.44Å; F276-L389 HydrophobicContact CB-CD2 3.7Å; F276-L389 HydrophobicContact CD1-CD2 4.36Å; F276-L389 HydrophobicContact CG-CD2 4.14Å
277	K	77.5	Confident	85.7	Confident	85 Å²	85	48 Å²	48	37%	0.37	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.5	168.2	-57	-168.1	-175.2	-165.5	0	107.4	R279 E327	K277-R279 VanDerWaalsContact C-N 3.27Å; K277-R279 HydrophobicContact CB-CG 3.99Å; K277-R279 PolarHBondContact O-N 2.68Å; K277-R279 VanDerWaalsContact O-N 3.11Å; K277-E327 HydrophobicContact CD-CG 4.1Å; K277-E327 WeakPolarHBondContact CE-OE1 3.49Å; K277-E327 HydrophobicContact CG-CG 4.38Å; K277-E327 VanDerWaalsContact NZ-CD 3.28Å; K277-E327 IonicContact NZ-OE1 2.64Å; K277-E327 PolarHBondContact NZ-OE1 3.32Å; K277-E327 IonicContact NZ-OE2 3.15Å; K277-E327 PolarHBondContact NZ-OE2 2.83Å
278	L	77.8	Confident	85.7	Confident	17 Å²	17	50.6 Å²	50.6	9%	0.089	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	74.8	174.3	-58.4	174.8	0	0	0	107.4	F30 F276 I325 F326 I371 V386	F30-L278 HydrophobicContact CB-CB 4.28Å; F30-L278 HydrophobicContact CB-CD1 3.87Å; F30-L278 HydrophobicContact CD1-CB 4.29Å; F30-L278 HydrophobicContact CD1-CD1 4.24Å; F30-L278 HydrophobicContact CD2-CD1 3.45Å; F30-L278 VanDerWaalsContact CD2-CD1 3.45Å; F30-L278 HydrophobicContact CE2-CD1 3.99Å; F30-L278 HydrophobicContact CG-CB 4.25Å; F30-L278 HydrophobicContact CG-CD1 3.58Å; F276-L278 HydrophobicContact CD2-CD1 4.41Å; F276-L278 HydrophobicContact CD2-CD2 4.03Å; F276-L278 HydrophobicContact CD2-CG 3.89Å; F276-L278 HydrophobicContact CE2-CD1 4.11Å; F276-L278 HydrophobicContact CE2-CD2 4.49Å; F276-L278 HydrophobicContact CE2-CG 4.07Å; L278-I325 VanDerWaalsContact O-CA 3.29Å; L278-I325 WeakPolarHBondContact O-CA 3.29Å; L278-F326 HydrophobicContact CB-CB 4.31Å; L278-F326 HydrophobicContact CD1-CD1 4.33Å; L278-F326 HydrophobicContact CG-CD1 4.47Å; L278-F326 PolarHBondContact N-O 3.46Å; L278-F326 PolarHBondContact O-N 2.96Å; L278-I371 HydrophobicContact CD1-CD1 4.41Å; L278-I371 HydrophobicContact CD1-CG2 4.35Å; L278-V386 HydrophobicContact CD1-CG2 4.31Å; L278-V386 HydrophobicContact CD2-CG2 3.96Å
279	R	65.2	Low	85.6	Confident	86 Å²	86	48 Å²	48	33%	0.325	22%	0.221	S	C	.	.			trans	-93.9	-34.3	179.9	-74.6	177	173.9	-133.5	-4.3	112.8	K277 I325 E327	K277-R279 VanDerWaalsContact C-N 3.27Å; K277-R279 HydrophobicContact CB-CG 3.99Å; K277-R279 PolarHBondContact O-N 2.68Å; K277-R279 VanDerWaalsContact O-N 3.11Å; R279-I325 HydrophobicContact CB-CD1 4.49Å; R279-I325 HydrophobicContact CG-CD1 4.49Å; R279-I325 HydrophobicContact CG-CG2 3.91Å; R279-E327 IonicContact CZ-OE2 2.7Å; R279-E327 IonicContact NE-OE2 3.37Å; R279-E327 IonicContact NH2-OE2 2.75Å; R279-E327 PolarHBondContact NH2-OE2 3.01Å
280	E	53.1	Low	85.7	Confident	116 Å²	116	48 Å²	48	54%	0.542	22%	0.221	S	C	.	.			trans	-105.7	26.4	-159	-44.8	-150.1	-140.6	0	0	113.1	R282 H392	E280-R282 PolarHBondContact O-N 2.92Å; E280-H392 WeakPolarHBondContact CB-O 3.44Å; E280-H392 VanDerWaalsContact CD-C 3.41Å; E280-H392 WeakPolarHBondContact CG-O 2.93Å
281	G	61.7	Low	85.8	Confident	26 Å²	26	52.6 Å²	52.6	27%	0.268	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-60	132.1	168.4	0	0	0	0	0	110.4	K323	G281-K323 VanDerWaalsContact O-CE 3.27Å; G281-K323 WeakPolarHBondContact O-CE 3.48Å
282	R	73.1	Confident	85.7	Confident	192 Å²	192	58.1 Å²	58.1	73%	0.725	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-53.7	139.8	169.1	-62.4	176.4	78.7	-169.9	3.2	108.7	E280 L284	E280-R282 PolarHBondContact O-N 2.92Å; R282-L284 PolarHBondContact O-N 2.88Å
283	T	87.2	Confident	85.6	Confident	37 Å²	37	57.1 Å²	57.1	23%	0.227	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-57.8	128.9	170.2	-61.5	0	0	0	0	109.2	L151 M321	L151-T283 HydrophobicContact CD1-CG2 3.65Å; L151-T283 HydrophobicContact CG-CG2 4.25Å; L151-T283 VanDerWaalsContact O-CB 3.25Å; L151-T283 WeakPolarHBondContact O-CB 3.06Å; L151-T283 WeakPolarHBondContact O-CG2 3.12Å; L151-T283 PolarHBondContact O-OG1 3.21Å; T283-M321 HydrophobicContact CG2-CB 4.43Å; T283-M321 HydrophobicContact CG2-SD 4.34Å
284	L	90.8	Very high	85.7	Confident	40 Å²	40	58.4 Å²	58.4	21%	0.209	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.6	174.7	-60.3	-176.9	0	0	0	109.6	L31 R282 L286 H322	L31-L284 HydrophobicContact CB-CD1 4.05Å; L31-L284 HydrophobicContact CD2-CD1 3.74Å; R282-L284 PolarHBondContact O-N 2.88Å; L284-L286 HydrophobicContact CB-CD2 3.66Å; L284-L286 HydrophobicContact CB-CG 4.43Å; L284-L286 HydrophobicContact CD1-CD2 4.4Å; L284-H322 HydrophobicContact CB-CB 4.39Å; L284-H322 PolarHBondContact N-O 2.78Å; L284-H322 PolarHBondContact O-N 3.43Å
285	K	93	Very high	85.9	Confident	87 Å²	87	58.4 Å²	58.4	38%	0.378	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	109.4	163.1	-72.5	-172.1	-177	-176.6	0	108.2	S156 H289 D319 M321	S156-K285 WeakPolarHBondContact OG-CE 3.49Å; S156-K285 PolarHBondContact OG-NZ 3.48Å; K285-H289 PolarHBondContact O-ND1 2.96Å; K285-D319 VanDerWaalsContact CB-OD2 3.27Å; K285-D319 WeakPolarHBondContact CB-OD2 3.48Å; K285-D319 WeakPolarHBondContact CG-OD2 3.22Å; K285-M321 HydrophobicContact CG-CE 4.21Å; K285-M321 HydrophobicContact CG-SD 3.81Å
286	L	95.2	Very high	86.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.274	C	S	.	.			trans	-90.3	-10.1	-170.1	-59.4	-174.1	0	0	0	113.3	F14 I36 L284 D288 H289 L290 D319 V320 H322	F14-L286 HydrophobicContact CE2-CD2 4.44Å; F14-L286 HydrophobicContact CZ-CD1 4.39Å; F14-L286 HydrophobicContact CZ-CD2 3.82Å; I36-L286 HydrophobicContact CB-CD1 4.37Å; I36-L286 HydrophobicContact CD1-CD1 3.78Å; I36-L286 HydrophobicContact CG1-CD1 3.76Å; I36-L286 HydrophobicContact CG2-CD1 3.72Å; L284-L286 HydrophobicContact CB-CD2 3.66Å; L284-L286 HydrophobicContact CB-CG 4.43Å; L284-L286 HydrophobicContact CD1-CD2 4.4Å; L286-D288 PolarHBondContact O-N 2.95Å; L286-H289 WeakPolarHBondContact O-CB 3.43Å; L286-H289 PolarHBondContact O-N 2.87Å; L286-H289 VanDerWaalsContact O-N 3.14Å; L286-L290 HydrophobicContact CB-CD1 3.71Å; L286-L290 HydrophobicContact CB-CG 3.99Å; L286-L290 WeakPolarHBondContact O-CB 3.39Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 2.93Å; L286-D319 PolarHBondContact N-OD1 2.84Å; L286-V320 HydrophobicContact CB-CB 4.14Å; L286-V320 VanDerWaalsContact CB-O 3.3Å; L286-V320 WeakPolarHBondContact CB-O 3.33Å; L286-V320 HydrophobicContact CD1-CB 4.5Å; L286-V320 HydrophobicContact CD1-CG1 4.16Å; L286-V320 WeakPolarHBondContact CG-O 3.25Å; L286-V320 PolarHBondContact N-O 2.64Å; L286-H322 HydrophobicContact CD1-CB 3.8Å; L286-H322 HydrophobicContact CG-CB 4.22Å
287	K	95.4	Very high	87.3	Confident	59 Å²	59	58.5 Å²	58.5	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-44.7	-57.1	179	174.7	177.3	-174.1	151.9	0	113.1	H289 L290 R291 F299 S318 D319	K287-H289 VanDerWaalsContact C-N 3.34Å; K287-H289 PolarHBondContact O-N 3.43Å; K287-L290 PolarHBondContact O-N 2.77Å; K287-R291 VanDerWaalsContact O-CG 3.3Å; K287-R291 WeakPolarHBondContact O-CG 3.41Å; K287-R291 PolarHBondContact O-N 2.97Å; K287-F299 HydrophobicContact CB-CD1 4.09Å; K287-F299 HydrophobicContact CB-CE1 4.12Å; K287-F299 HydrophobicContact CD-CB 4.38Å; K287-F299 HydrophobicContact CD-CD1 4.28Å; K287-F299 HydrophobicContact CD-CG 4.5Å; K287-F299 HydrophobicContact CG-CB 4.17Å; K287-F299 HydrophobicContact CG-CD1 3.74Å; K287-F299 HydrophobicContact CG-CD2 4.45Å; K287-F299 HydrophobicContact CG-CE1 4.25Å; K287-F299 HydrophobicContact CG-CG 3.88Å; K287-S318 WeakPolarHBondContact CD-O 3.49Å; K287-D319 WeakPolarHBondContact CB-OD1 3.49Å; K287-D319 PolarHBondContact N-OD1 3.17Å
288	D	95	Very high	88.2	Confident	93 Å²	93	54.5 Å²	54.5	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-68.7	-35.4	-174.7	-67.3	-32.7	0	0	0	112.3	L286 K292	L286-D288 PolarHBondContact O-N 2.95Å; D288-K292 WeakPolarHBondContact O-CG 3.25Å; D288-K292 PolarHBondContact O-N 3.35Å
289	H	94.7	Very high	89.1	Confident	28 Å²	28	54.2 Å²	54.2	13%	0.13	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-48	173.5	-57.6	90.1	0	0	0	111	F14 L17 I18 E21 K285 L286 K287 R291 K292 L293	F14-H289 HydrophobicContact CE2-CB 4.19Å; L17-H289 HydrophobicContact CD2-CB 3.86Å; L17-H289 WeakPolarHBondContact CD2-O 3.35Å; I18-H289 VanDerWaalsContact CD1-CD2 3.42Å; I18-H289 WeakPolarHBondContact CD1-CD2 3.4Å; E21-H289 IonicContact OE1-CD2 3.61Å; E21-H289 PolarHBondContact OE1-CD2 3.48Å; E21-H289 VanDerWaalsContact OE1-CD2 3.28Å; E21-H289 IonicContact OE1-CG 3.7Å; E21-H289 IonicContact OE1-NE2 2.61Å; E21-H289 IonicContact OE2-CD2 2.81Å; E21-H289 PolarHBondContact OE2-CD2 3.46Å; E21-H289 IonicContact OE2-CE1 2.94Å; E21-H289 IonicContact OE2-NE2 2.73Å; E21-H289 PolarHBondContact OE2-NE2 2.94Å; K285-H289 PolarHBondContact O-ND1 2.96Å; L286-H289 WeakPolarHBondContact O-CB 3.43Å; L286-H289 PolarHBondContact O-N 2.87Å; L286-H289 VanDerWaalsContact O-N 3.14Å; K287-H289 VanDerWaalsContact C-N 3.34Å; K287-H289 PolarHBondContact O-N 3.43Å; H289-R291 VanDerWaalsContact C-N 3.33Å; H289-R291 PolarHBondContact O-N 3.38Å; H289-K292 WeakPolarHBondContact O-CB 3.19Å; H289-K292 PolarHBondContact O-N 2.98Å; H289-K292 VanDerWaalsContact O-N 3.15Å; H289-L293 PolarHBondContact O-N 3.05Å; H289-L293 VanDerWaalsContact O-N 3.15Å
290	L	96.9	Very high	90.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-33.4	-178.4	-66.6	171.7	0	0	0	111.9	L40 L286 K287 K292 L293 G294 I295 F299 V320	L40-L290 HydrophobicContact CD1-CD2 3.9Å; L40-L290 HydrophobicContact CD2-CD1 3.77Å; L40-L290 HydrophobicContact CD2-CD2 3.87Å; L40-L290 HydrophobicContact CD2-CG 4.45Å; L40-L290 HydrophobicContact CG-CD2 4.43Å; L286-L290 HydrophobicContact CB-CD1 3.71Å; L286-L290 HydrophobicContact CB-CG 3.99Å; L286-L290 WeakPolarHBondContact O-CB 3.39Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 2.93Å; K287-L290 PolarHBondContact O-N 2.77Å; L290-K292 VanDerWaalsContact C-N 3.35Å; L290-K292 PolarHBondContact O-N 2.92Å; L290-L293 HydrophobicContact CD2-CD1 4.33Å; L290-L293 WeakPolarHBondContact O-CB 3.5Å; L290-L293 PolarHBondContact O-N 3.47Å; L290-L293 VanDerWaalsContact O-N 3.12Å; L290-G294 PolarHBondContact O-N 3.07Å; L290-I295 HydrophobicContact CB-CB 4.47Å; L290-I295 HydrophobicContact CB-CD1 4.17Å; L290-I295 HydrophobicContact CD2-CD1 4.12Å; L290-I295 WeakPolarHBondContact O-CB 3.41Å; L290-I295 PolarHBondContact O-N 2.83Å; L290-F299 HydrophobicContact CB-CE2 3.73Å; L290-F299 HydrophobicContact CB-CZ 3.81Å; L290-F299 HydrophobicContact CD1-CE2 4.43Å; L290-F299 HydrophobicContact CD1-CZ 3.68Å; L290-F299 HydrophobicContact CG-CZ 4.4Å; L290-V320 HydrophobicContact CD1-CB 4.07Å; L290-V320 HydrophobicContact CD1-CG2 3.86Å
291	R	97.1	Very high	92.2	Very high	119 Å²	119	50.4 Å²	50.4	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-40.9	170.4	-74.2	-178.8	70.4	-164.9	4.1	112.7	K287 H289 L293 G294 I295 N296 F299	K287-R291 VanDerWaalsContact O-CG 3.3Å; K287-R291 WeakPolarHBondContact O-CG 3.41Å; K287-R291 PolarHBondContact O-N 2.97Å; H289-R291 VanDerWaalsContact C-N 3.33Å; H289-R291 PolarHBondContact O-N 3.38Å; R291-L293 PolarHBondContact O-N 3.48Å; R291-G294 WeakPolarHBondContact O-CA 3.24Å; R291-G294 PolarHBondContact O-N 3.2Å; R291-I295 VanDerWaalsContact CA-O 3.28Å; R291-I295 WeakPolarHBondContact CA-O 3.43Å; R291-I295 WeakPolarHBondContact CG-O 3.36Å; R291-N296 PolarHBondContact NE-OD1 3.45Å; R291-F299 HydrophobicContact CG-CD2 3.9Å; R291-F299 HydrophobicContact CG-CE2 4.46Å
292	K	95.7	Very high	93.6	Very high	116 Å²	116	56.1 Å²	56.1	50%	0.504	28%	0.277	S	S	.	.	H	α-helix	trans	-67.9	-24.4	174.6	-68.7	171.8	-171.7	167.6	0	112.9	L17 E21 D288 H289 L290 G294	L17-K292 HydrophobicContact CD1-CB 3.78Å; L17-K292 HydrophobicContact CD1-CD 3.81Å; L17-K292 HydrophobicContact CD1-CG 4.46Å; L17-K292 HydrophobicContact CD2-CB 4.11Å; E21-K292 WeakPolarHBondContact OE1-CD 3.42Å; E21-K292 WeakPolarHBondContact OE1-CE 3.13Å; E21-K292 IonicContact OE1-NZ 2.8Å; E21-K292 PolarHBondContact OE1-NZ 2.93Å; E21-K292 IonicContact OE2-NZ 2.96Å; E21-K292 PolarHBondContact OE2-NZ 3.02Å; E21-K292 VanDerWaalsContact OE2-NZ 3.16Å; D288-K292 WeakPolarHBondContact O-CG 3.25Å; D288-K292 PolarHBondContact O-N 3.35Å; H289-K292 WeakPolarHBondContact O-CB 3.19Å; H289-K292 PolarHBondContact O-N 2.98Å; H289-K292 VanDerWaalsContact O-N 3.15Å; L290-K292 VanDerWaalsContact C-N 3.35Å; L290-K292 PolarHBondContact O-N 2.92Å; K292-G294 PolarHBondContact O-N 3.41Å
293	L	95.2	Very high	94.6	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.9	168.6	-68.2	-173	0	0	0	113.9	F10 R13 F14 L17 A58 H289 L290 R291	F10-L293 HydrophobicContact CD2-CD1 4.38Å; F10-L293 HydrophobicContact CE2-CD1 3.73Å; R13-L293 HydrophobicContact CG-CD2 3.91Å; F14-L293 HydrophobicContact CB-CD1 4.45Å; F14-L293 HydrophobicContact CD2-CD1 3.87Å; L17-L293 HydrophobicContact CD2-CD2 4.13Å; L17-L293 HydrophobicContact CD2-CG 3.99Å; A58-L293 HydrophobicContact CB-CB 4.22Å; H289-L293 PolarHBondContact O-N 3.05Å; H289-L293 VanDerWaalsContact O-N 3.15Å; L290-L293 HydrophobicContact CD2-CD1 4.33Å; L290-L293 WeakPolarHBondContact O-CB 3.5Å; L290-L293 PolarHBondContact O-N 3.47Å; L290-L293 VanDerWaalsContact O-N 3.12Å; R291-L293 PolarHBondContact O-N 3.48Å
294	G	96.5	Very high	95	Very high	29 Å²	29	48.8 Å²	48.8	30%	0.299	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.9	7.1	177.4	0	0	0	0	0	114.8	E54 L290 R291 K292 N296	E54-G294 WeakPolarHBondContact CB-O 3.3Å; E54-G294 VanDerWaalsContact CD-O 3.3Å; E54-G294 WeakPolarHBondContact CG-O 3.49Å; L290-G294 PolarHBondContact O-N 3.07Å; R291-G294 WeakPolarHBondContact O-CA 3.24Å; R291-G294 PolarHBondContact O-N 3.2Å; K292-G294 PolarHBondContact O-N 3.41Å; G294-N296 PolarHBondContact O-N 2.82Å
295	I	97.1	Very high	95.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.258	C	S	.	.			trans	-90.4	91.7	176.1	-52.7	168.3	0	0	0	108.1	L40 M55 A58 L290 R291 A298 F299	L40-I295 HydrophobicContact CD1-CD1 4.46Å; L40-I295 HydrophobicContact CD2-CD1 4.19Å; M55-I295 HydrophobicContact CE-CD1 4.49Å; M55-I295 HydrophobicContact SD-CB 4.49Å; M55-I295 HydrophobicContact SD-CD1 3.73Å; M55-I295 HydrophobicContact SD-CG1 4.07Å; M55-I295 HydrophobicContact SD-CG2 3.6Å; A58-I295 HydrophobicContact CB-CD1 3.53Å; A58-I295 HydrophobicContact CB-CG1 3.33Å; L290-I295 HydrophobicContact CB-CB 4.47Å; L290-I295 HydrophobicContact CB-CD1 4.17Å; L290-I295 HydrophobicContact CD2-CD1 4.12Å; L290-I295 WeakPolarHBondContact O-CB 3.41Å; L290-I295 PolarHBondContact O-N 2.83Å; R291-I295 VanDerWaalsContact CA-O 3.28Å; R291-I295 WeakPolarHBondContact CA-O 3.43Å; R291-I295 WeakPolarHBondContact CG-O 3.36Å; I295-A298 HydrophobicContact CG2-CB 3.53Å; I295-F299 HydrophobicContact CB-CE2 4.09Å; I295-F299 HydrophobicContact CG2-CD2 4.22Å; I295-F299 HydrophobicContact CG2-CE2 3.69Å; I295-F299 WeakPolarHBondContact O-CD2 3.49Å; I295-F299 WeakPolarHBondContact O-CE2 3.47Å
296	N	97.3	Very high	95.4	Very high	62 Å²	62	45 Å²	45	33%	0.332	24%	0.242	S	C	.	.			trans	-105	-47.2	-177.2	-68.8	-69.6	0	0	0	111.9	E54 R291 G294 A298 F299 C300	E54-N296 PolarHBondContact OE2-N 3.37Å; R291-N296 PolarHBondContact NE-OD1 3.45Å; G294-N296 PolarHBondContact O-N 2.82Å; N296-A298 VanDerWaalsContact C-N 3.31Å; N296-A298 PolarHBondContact O-N 2.86Å; N296-F299 PolarHBondContact O-N 2.75Å; N296-F299 VanDerWaalsContact O-N 3.15Å; N296-C300 PolarHBondContact O-N 2.93Å
297	D	97	Very high	95.4	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.144	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-64.1	-39.2	-173	-77.7	-2.8	0	0	0	111.2	N50 T51 E54 F299 C300 S303 A304	N50-D297 PolarHBondContact ND2-OD2 2.82Å; T51-D297 WeakPolarHBondContact OG1-CB 3.38Å; E54-D297 PolarHBondContact OE2-N 3.21Å; D297-F299 PolarHBondContact O-N 3.33Å; D297-C300 PolarHBondContact O-N 3.22Å; D297-S303 WeakPolarHBondContact OD1-CB 3.43Å; D297-A304 WeakPolarHBondContact O-CA 3.31Å; D297-A304 WeakPolarHBondContact O-CB 3.33Å; D297-A304 PolarHBondContact O-N 2.81Å
298	A	96.7	Very high	95.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.3	-26.5	178.6	0	0	0	0	0	113.5	T51 I295 N296 F306 C316 I317	T51-A298 HydrophobicContact CG2-CB 3.9Å; I295-A298 HydrophobicContact CG2-CB 3.53Å; N296-A298 VanDerWaalsContact C-N 3.31Å; N296-A298 PolarHBondContact O-N 2.86Å; A298-F306 HydrophobicContact CB-CE2 4.37Å; A298-F306 HydrophobicContact CB-CZ 3.88Å; A298-F306 WeakPolarHBondContact O-CE2 3.43Å; A298-C316 WeakPolarHBondContact O-CB 3.5Å; A298-I317 PolarHBondContact O-N 2.82Å
299	F	96.2	Very high	95.4	Very high	12 Å²	12	42.3 Å²	42.3	5%	0.053	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-106.7	6.5	-178.8	-53.8	-79.3	0	0	0	114.1	K287 L290 R291 I295 N296 D297 I317 V320	K287-F299 HydrophobicContact CB-CD1 4.09Å; K287-F299 HydrophobicContact CB-CE1 4.12Å; K287-F299 HydrophobicContact CD-CB 4.38Å; K287-F299 HydrophobicContact CD-CD1 4.28Å; K287-F299 HydrophobicContact CD-CG 4.5Å; K287-F299 HydrophobicContact CG-CB 4.17Å; K287-F299 HydrophobicContact CG-CD1 3.74Å; K287-F299 HydrophobicContact CG-CD2 4.45Å; K287-F299 HydrophobicContact CG-CE1 4.25Å; K287-F299 HydrophobicContact CG-CG 3.88Å; L290-F299 HydrophobicContact CB-CE2 3.73Å; L290-F299 HydrophobicContact CB-CZ 3.81Å; L290-F299 HydrophobicContact CD1-CE2 4.43Å; L290-F299 HydrophobicContact CD1-CZ 3.68Å; L290-F299 HydrophobicContact CG-CZ 4.4Å; R291-F299 HydrophobicContact CG-CD2 3.9Å; R291-F299 HydrophobicContact CG-CE2 4.46Å; I295-F299 HydrophobicContact CB-CE2 4.09Å; I295-F299 HydrophobicContact CG2-CD2 4.22Å; I295-F299 HydrophobicContact CG2-CE2 3.69Å; I295-F299 WeakPolarHBondContact O-CD2 3.49Å; I295-F299 WeakPolarHBondContact O-CE2 3.47Å; N296-F299 PolarHBondContact O-N 2.75Å; N296-F299 VanDerWaalsContact O-N 3.15Å; D297-F299 PolarHBondContact O-N 3.33Å; F299-I317 WeakPolarHBondContact CA-O 3.42Å; F299-I317 HydrophobicContact CD1-CB 4.16Å; F299-I317 HydrophobicContact CD1-CG2 4.21Å; F299-I317 VanDerWaalsContact CD1-O 3.26Å; F299-I317 WeakPolarHBondContact CD1-O 3.36Å; F299-I317 HydrophobicContact CE1-CB 4.17Å; F299-I317 HydrophobicContact CE1-CG2 3.85Å; F299-V320 HydrophobicContact CE1-CG2 4.37Å; F299-V320 HydrophobicContact CZ-CG2 4.48Å
300	C	94.1	Very high	95.4	Very high	43 Å²	43	41.2 Å²	41.2	29%	0.291	23%	0.229	S	C	.	.			trans	-112.2	115.7	-178.3	-172.7	0	0	0	0	110.6	N296 D297 L302 S303 A304	N296-C300 PolarHBondContact O-N 2.93Å; D297-C300 PolarHBondContact O-N 3.22Å; C300-L302 PolarHBondContact O-N 3.3Å; C300-S303 PolarHBondContact O-N 3.34Å; C300-S303 VanDerWaalsContact O-N 3.16Å; C300-A304 WeakPolarHBondContact O-CB 3.4Å; C300-A304 PolarHBondContact O-N 3.13Å
301	P	90.6	Very high	95	Very high	79 Å²	79	47.5 Å²	47.5	51%	0.513	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.3	-178.5	-25.5	31.5	0	0	0	115.5
302	L	91.3	Very high	94.1	Very high	146 Å²	146	46 Å²	46	76%	0.764	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-26.2	-177.2	-65.2	176.7	0	0	0	113.5	C300	C300-L302 PolarHBondContact O-N 3.3Å
303	S	94.2	Very high	93	Very high	58 Å²	58	44 Å²	44	41%	0.406	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-20	-174.4	-50.7	0	0	0	0	113.4	D297 C300 D305	D297-S303 WeakPolarHBondContact OD1-CB 3.43Å; C300-S303 PolarHBondContact O-N 3.34Å; C300-S303 VanDerWaalsContact O-N 3.16Å; S303-D305 PolarHBondContact O-N 3.42Å
304	A	96	Very high	92.3	Very high	17 Å²	17	53.2 Å²	53.2	14%	0.14	29%	0.294	C	S	.	.			trans	-58.5	124	-179.9	0	0	0	0	0	111.2	D297 C300 F306 M315 C316	D297-A304 WeakPolarHBondContact O-CA 3.31Å; D297-A304 WeakPolarHBondContact O-CB 3.33Å; D297-A304 PolarHBondContact O-N 2.81Å; C300-A304 WeakPolarHBondContact O-CB 3.4Å; C300-A304 PolarHBondContact O-N 3.13Å; A304-F306 HydrophobicContact CB-CD2 3.93Å; A304-F306 HydrophobicContact CB-CE2 3.89Å; A304-M315 VanDerWaalsContact CB-O 3.32Å; A304-M315 WeakPolarHBondContact CB-O 3.37Å; A304-C316 HydrophobicContact CB-CB 3.65Å
305	D	95.7	Very high	92	Very high	38 Å²	38	52 Å²	52	20%	0.203	28%	0.281	C	S	.	.			trans	-111.4	98.2	170.9	-168	-19.5	0	0	0	110.1	S47 E48 N49 T51 S303 S307	S47-D305 WeakPolarHBondContact CA-O 3.48Å; E48-D305 PolarHBondContact N-O 3.46Å; N49-D305 PolarHBondContact ND2-OD2 3.38Å; T51-D305 PolarHBondContact OG1-N 3.07Å; S303-D305 PolarHBondContact O-N 3.42Å; D305-S307 WeakPolarHBondContact OD1-CB 3.35Å; D305-S307 PolarHBondContact OD1-N 2.84Å; D305-S307 PolarHBondContact OD1-OG 3.17Å
306	F	96.1	Very high	91.8	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.039	28%	0.283	C	S	.	.			trans	-112.9	37.9	172	-69.4	-70.8	0	0	0	111.6	V43 G46 T51 A298 A304 N308 V309 S310 M315 I317	V43-F306 HydrophobicContact CG1-CE1 3.71Å; V43-F306 HydrophobicContact CG1-CZ 3.86Å; G46-F306 CarbonylContact O-C 3.5Å; G46-F306 VanDerWaalsContact O-CA 3.27Å; G46-F306 WeakPolarHBondContact O-CA 3.27Å; T51-F306 HydrophobicContact CG2-CE1 4.38Å; T51-F306 HydrophobicContact CG2-CE2 4.49Å; T51-F306 HydrophobicContact CG2-CZ 4.04Å; A298-F306 HydrophobicContact CB-CE2 4.37Å; A298-F306 HydrophobicContact CB-CZ 3.88Å; A298-F306 WeakPolarHBondContact O-CE2 3.43Å; A304-F306 HydrophobicContact CB-CD2 3.93Å; A304-F306 HydrophobicContact CB-CE2 3.89Å; F306-N308 PolarHBondContact O-N 3.12Å; F306-N308 VanDerWaalsContact O-N 3.17Å; F306-V309 HydrophobicContact CB-CB 4.17Å; F306-V309 HydrophobicContact CB-CG2 3.9Å; F306-V309 HydrophobicContact CD1-CG2 4.11Å; F306-V309 HydrophobicContact CG-CG2 4.39Å; F306-V309 WeakPolarHBondContact O-CA 3.36Å; F306-V309 WeakPolarHBondContact O-CB 3.19Å; F306-V309 PolarHBondContact O-N 2.88Å; F306-S310 PolarHBondContact O-N 2.91Å; F306-M315 HydrophobicContact CB-CG 3.92Å; F306-M315 HydrophobicContact CB-SD 4.33Å; F306-M315 HydrophobicContact CD2-CG 4.42Å; F306-M315 WeakPolarHBondContact CD2-O 3.34Å; F306-I317 HydrophobicContact CE1-CD1 4.46Å; F306-I317 HydrophobicContact CE1-CG1 4.26Å; F306-I317 HydrophobicContact CE2-CD1 4.43Å; F306-I317 HydrophobicContact CE2-CG1 3.94Å; F306-I317 HydrophobicContact CZ-CD1 4.14Å; F306-I317 HydrophobicContact CZ-CG1 3.56Å
307	S	94.9	Very high	91.8	Very high	40 Å²	40	49.4 Å²	49.4	28%	0.28	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.4	178.2	51.2	0	0	0	0	113.2	K105 D305 V309	K105-S307 VanDerWaalsContact CE-O 3.3Å; K105-S307 WeakPolarHBondContact CE-O 3.33Å; K105-S307 PolarHBondContact NZ-O 3.08Å; D305-S307 WeakPolarHBondContact OD1-CB 3.35Å; D305-S307 PolarHBondContact OD1-N 2.84Å; D305-S307 PolarHBondContact OD1-OG 3.17Å; S307-V309 VanDerWaalsContact C-N 3.27Å; S307-V309 PolarHBondContact O-N 2.95Å
308	N	94.7	Very high	91.7	Very high	56 Å²	56	49.1 Å²	49.1	30%	0.299	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.9	171.9	-68.5	-36	0	0	0	113.3	G46 S47 E48 K105 F108 F306	G46-N308 WeakPolarHBondContact O-CB 3.43Å; S47-N308 PolarHBondContact O-ND2 3.03Å; S47-N308 VanDerWaalsContact O-ND2 3.16Å; E48-N308 PolarHBondContact OE2-ND2 2.93Å; K105-N308 WeakPolarHBondContact CD-O 3.25Å; F108-N308 WeakPolarHBondContact CB-O 3.46Å; F306-N308 PolarHBondContact O-N 3.12Å; F306-N308 VanDerWaalsContact O-N 3.17Å
309	V	96	Very high	91.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-49.8	173.3	-174.2	0	0	0	0	111.3	I104 K105 F108 F306 S307 M315	I104-V309 CarbonylContact C-O 3.49Å; I104-V309 WeakPolarHBondContact CA-O 3.5Å; I104-V309 HydrophobicContact CG2-CG1 4.35Å; K105-V309 PolarHBondContact N-O 3Å; F108-V309 HydrophobicContact CD1-CB 4.44Å; F108-V309 HydrophobicContact CD1-CG1 3.99Å; F108-V309 HydrophobicContact CD1-CG2 4.25Å; F108-V309 HydrophobicContact CD2-CG2 4.03Å; F108-V309 HydrophobicContact CE1-CB 4.5Å; F108-V309 HydrophobicContact CE1-CG1 3.94Å; F108-V309 HydrophobicContact CE1-CG2 4Å; F108-V309 HydrophobicContact CE2-CG2 3.79Å; F108-V309 HydrophobicContact CG-CG2 4.25Å; F108-V309 HydrophobicContact CZ-CG2 3.76Å; F306-V309 HydrophobicContact CB-CB 4.17Å; F306-V309 HydrophobicContact CB-CG2 3.9Å; F306-V309 HydrophobicContact CD1-CG2 4.11Å; F306-V309 HydrophobicContact CG-CG2 4.39Å; F306-V309 WeakPolarHBondContact O-CA 3.36Å; F306-V309 WeakPolarHBondContact O-CB 3.19Å; F306-V309 PolarHBondContact O-N 2.88Å; S307-V309 VanDerWaalsContact C-N 3.27Å; S307-V309 PolarHBondContact O-N 2.95Å; V309-M315 HydrophobicContact CB-SD 4Å; V309-M315 HydrophobicContact CG1-CE 4.18Å; V309-M315 HydrophobicContact CG1-SD 3.65Å
310	S	93.9	Very high	91.7	Very high	5 Å²	5	49.3 Å²	49.3	4%	0.035	27%	0.269	C	S	.	.			trans	-152.1	141.4	-176.1	-166.4	0	0	0	0	112	R103 F306 S312	R103-S310 VanDerWaalsContact O-CB 3.27Å; R103-S310 WeakPolarHBondContact O-CB 3.45Å; R103-S310 PolarHBondContact O-OG 3.15Å; F306-S310 PolarHBondContact O-N 2.91Å; S310-S312 PolarHBondContact OG-OG 3.4Å
311	D	88.9	Confident	91.8	Very high	131 Å²	131	47.5 Å²	47.5	70%	0.701	26%	0.256	S	S	*	.	S	Bend	trans	-85.6	-25.8	174.4	-63.3	-51.6	0	0	0	113	K105	K105-D311 WeakPolarHBondContact CE-OD1 3.5Å; K105-D311 WeakPolarHBondContact CE-OD2 3.3Å; K105-D311 IonicContact NZ-OD1 3.96Å; K105-D311 PolarHBondContact NZ-OD1 2.95Å; K105-D311 IonicContact NZ-OD2 3.33Å; K105-D311 PolarHBondContact NZ-OD2 3.07Å
312	S	78.6	Confident	92	Very high	89 Å²	89	43.7 Å²	43.7	62%	0.622	23%	0.232	S	C	*	.	S	Bend	trans	-99.6	-6.1	-161.5	57.6	0	0	0	0	114.5	S310	S310-S312 PolarHBondContact OG-OG 3.4Å
313	Y	72.3	Confident	92.2	Very high	74 Å²	74	38.3 Å²	38.3	29%	0.29	20%	0.202	S	C	.	.			trans	-143	126.3	-169.2	-167.4	-85.9	0	0	0	110.9	V102 M315	V102-Y313 HydrophobicContact CG2-CD1 3.79Å; V102-Y313 HydrophobicContact CG2-CE1 4.1Å; V102-Y313 HydrophobicContact CG2-CG 4.01Å; Y313-M315 HydrophobicContact CD1-CB 3.84Å; Y313-M315 HydrophobicContact CE1-CB 4.14Å; Y313-M315 PolarHBondContact O-N 2.85Å; Y313-M315 VanDerWaalsContact O-N 3.13Å
314	R	80.4	Confident	92.1	Very high	201 Å²	201	35.8 Å²	35.8	76%	0.758	19%	0.185	S	C	*	.			trans	-74.5	100.9	169.3	-71.9	-171.8	177.8	-178.4	-1.6	108.1
315	M	90	Very high	91.8	Very high	3 Å²	3	35 Å²	35	2%	0.015	18%	0.178	C	C	.	.			trans	-109.8	155.4	175.1	58	-179.7	-68.7	0	0	110.8	F96 V98 V102 A163 A304 F306 V309 Y313	F96-M315 HydrophobicContact CE1-CE 4.03Å; F96-M315 HydrophobicContact CZ-CE 3.85Å; V98-M315 HydrophobicContact CG2-CE 4.11Å; V102-M315 HydrophobicContact CG1-SD 4.1Å; A163-M315 HydrophobicContact CB-CE 3.58Å; A304-M315 VanDerWaalsContact CB-O 3.32Å; A304-M315 WeakPolarHBondContact CB-O 3.37Å; F306-M315 HydrophobicContact CB-CG 3.92Å; F306-M315 HydrophobicContact CB-SD 4.33Å; F306-M315 HydrophobicContact CD2-CG 4.42Å; F306-M315 WeakPolarHBondContact CD2-O 3.34Å; V309-M315 HydrophobicContact CB-SD 4Å; V309-M315 HydrophobicContact CG1-CE 4.18Å; V309-M315 HydrophobicContact CG1-SD 3.65Å; Y313-M315 HydrophobicContact CD1-CB 3.84Å; Y313-M315 HydrophobicContact CE1-CB 4.14Å; Y313-M315 PolarHBondContact O-N 2.85Å; Y313-M315 VanDerWaalsContact O-N 3.13Å
316	C	94	Very high	91.6	Very high	8 Å²	8	33.2 Å²	33.2	5%	0.054	17%	0.169	C	C	.	.			trans	-128.6	163.7	162.4	66	0	0	0	0	109.7	A298 A304 S318	A298-C316 WeakPolarHBondContact O-CB 3.5Å; A304-C316 HydrophobicContact CB-CB 3.65Å; C316-S318 PolarHBondContact O-N 2.85Å
317	I	96.2	Very high	91.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.			trans	-72.4	123.2	166.1	-56.2	-54.3	0	0	0	107.6	V43 F96 A163 V165 A298 F299 F306 D319 V320	V43-I317 HydrophobicContact CG1-CG1 4.09Å; V43-I317 HydrophobicContact CG2-CD1 4.41Å; V43-I317 HydrophobicContact CG2-CG1 4.24Å; F96-I317 HydrophobicContact CE2-CD1 3.68Å; F96-I317 HydrophobicContact CZ-CD1 3.71Å; A163-I317 HydrophobicContact CB-CD1 4.02Å; V165-I317 HydrophobicContact CG2-CD1 4.05Å; V165-I317 HydrophobicContact CG2-CG2 4.2Å; A298-I317 PolarHBondContact O-N 2.82Å; F299-I317 WeakPolarHBondContact CA-O 3.42Å; F299-I317 HydrophobicContact CD1-CB 4.16Å; F299-I317 HydrophobicContact CD1-CG2 4.21Å; F299-I317 VanDerWaalsContact CD1-O 3.26Å; F299-I317 WeakPolarHBondContact CD1-O 3.36Å; F299-I317 HydrophobicContact CE1-CB 4.17Å; F299-I317 HydrophobicContact CE1-CG2 3.85Å; F306-I317 HydrophobicContact CE1-CD1 4.46Å; F306-I317 HydrophobicContact CE1-CG1 4.26Å; F306-I317 HydrophobicContact CE2-CD1 4.43Å; F306-I317 HydrophobicContact CE2-CG1 3.94Å; F306-I317 HydrophobicContact CZ-CD1 4.14Å; F306-I317 HydrophobicContact CZ-CG1 3.56Å; I317-D319 WeakPolarHBondContact CG2-O 3.28Å; I317-V320 HydrophobicContact CG2-CG2 4.13Å
318	S	95.4	Very high	90.8	Very high	22 Å²	22	32.8 Å²	32.8	15%	0.154	17%	0.167	C	C	.	.			trans	-75.8	-43.5	177.1	-58.1	0	0	0	0	110.7	T161 S162 A163 K287 C316	T161-S318 WeakPolarHBondContact CA-OG 3.42Å; S162-S318 PolarHBondContact N-OG 2.9Å; A163-S318 VanDerWaalsContact O-CB 3.32Å; A163-S318 WeakPolarHBondContact O-CB 3.35Å; A163-S318 PolarHBondContact O-N 2.94Å; A163-S318 PolarHBondContact O-OG 3.17Å; K287-S318 WeakPolarHBondContact CD-O 3.49Å; C316-S318 PolarHBondContact O-N 2.85Å
319	D	95.8	Very high	89.9	Confident	16 Å²	16	31.4 Å²	31.4	9%	0.086	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	163.7	172	-143.9	-35.2	0	0	0	111.5	V165 K285 L286 K287 I317 M321	V165-D319 PolarHBondContact N-O 2.88Å; K285-D319 VanDerWaalsContact CB-OD2 3.27Å; K285-D319 WeakPolarHBondContact CB-OD2 3.48Å; K285-D319 WeakPolarHBondContact CG-OD2 3.22Å; L286-D319 PolarHBondContact N-OD1 2.84Å; K287-D319 WeakPolarHBondContact CB-OD1 3.49Å; K287-D319 PolarHBondContact N-OD1 3.17Å; I317-D319 WeakPolarHBondContact CG2-O 3.28Å; D319-M321 HydrophobicContact CB-CE 3.69Å; D319-M321 HydrophobicContact CB-SD 4.26Å
320	V	97.1	Very high	88.6	Confident	1 Å²	1	33 Å²	33	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.3	165.8	-176.8	0	0	0	0	107.6	A39 V165 L286 L290 F299 I317	A39-V320 HydrophobicContact CB-CG1 4.26Å; V165-V320 HydrophobicContact CB-CG1 4.28Å; V165-V320 HydrophobicContact CB-CG2 4.16Å; V165-V320 HydrophobicContact CG1-CG1 4.46Å; V165-V320 CarbonylContact O-C 3.56Å; V165-V320 WeakPolarHBondContact O-CA 3.24Å; L286-V320 HydrophobicContact CB-CB 4.14Å; L286-V320 VanDerWaalsContact CB-O 3.3Å; L286-V320 WeakPolarHBondContact CB-O 3.33Å; L286-V320 HydrophobicContact CD1-CB 4.5Å; L286-V320 HydrophobicContact CD1-CG1 4.16Å; L286-V320 WeakPolarHBondContact CG-O 3.25Å; L286-V320 PolarHBondContact N-O 2.64Å; L290-V320 HydrophobicContact CD1-CB 4.07Å; L290-V320 HydrophobicContact CD1-CG2 3.86Å; F299-V320 HydrophobicContact CE1-CG2 4.37Å; F299-V320 HydrophobicContact CZ-CG2 4.48Å; I317-V320 HydrophobicContact CG2-CG2 4.13Å
321	M	96.1	Very high	86.6	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.2	-172.4	-60	-70.4	-170.1	0	0	109.7	L151 I152 V164 V165 A167 T283 K285 D319	L151-M321 HydrophobicContact CD1-CB 4.34Å; L151-M321 HydrophobicContact CD2-CB 3.96Å; L151-M321 HydrophobicContact CG-CB 4.14Å; I152-M321 HydrophobicContact CD1-CB 4.01Å; I152-M321 HydrophobicContact CD1-CE 4.05Å; I152-M321 HydrophobicContact CD1-CG 3.49Å; I152-M321 VanDerWaalsContact CD1-CG 3.49Å; I152-M321 HydrophobicContact CD1-SD 4.02Å; V164-M321 HydrophobicContact CG1-CG 3.75Å; V165-M321 PolarHBondContact O-N 2.93Å; A167-M321 PolarHBondContact N-O 2.95Å; T283-M321 HydrophobicContact CG2-CB 4.43Å; T283-M321 HydrophobicContact CG2-SD 4.34Å; K285-M321 HydrophobicContact CG-CE 4.21Å; K285-M321 HydrophobicContact CG-SD 3.81Å; D319-M321 HydrophobicContact CB-CE 3.69Å; D319-M321 HydrophobicContact CB-SD 4.26Å
322	H	95.5	Very high	84.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.1	-178.8	-179.6	66	0	0	0	112.4	L31 S32 I36 A167 L284 L286	L31-H322 VanDerWaalsContact CA-NE2 3.35Å; L31-H322 WeakPolarHBondContact CA-NE2 3.18Å; L31-H322 WeakPolarHBondContact CB-NE2 3.32Å; S32-H322 PolarHBondContact N-CE1 2.83Å; S32-H322 PolarHBondContact N-NE2 2.84Å; I36-H322 HydrophobicContact CD1-CB 4.31Å; I36-H322 HydrophobicContact CG1-CB 4.12Å; A167-H322 WeakPolarHBondContact O-CA 3.39Å; A167-H322 PolarHBondContact O-ND1 2.79Å; L284-H322 HydrophobicContact CB-CB 4.39Å; L284-H322 PolarHBondContact N-O 2.78Å; L284-H322 PolarHBondContact O-N 3.43Å; L286-H322 HydrophobicContact CD1-CB 3.8Å; L286-H322 HydrophobicContact CG-CB 4.22Å
323	K	93.6	Very high	82.4	Confident	33 Å²	33	35.5 Å²	35.5	14%	0.143	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	132.5	169.6	-171.4	159.8	174.7	172.1	0	109.7	I148 E150 L151 A167 T168 T169 G281	I148-K323 HydrophobicContact CD1-CB 4.18Å; I148-K323 HydrophobicContact CD1-CG 4.1Å; I148-K323 HydrophobicContact CG2-CD 3.88Å; I148-K323 HydrophobicContact CG2-CG 4.37Å; E150-K323 PolarHBondContact O-NZ 2.91Å; L151-K323 HydrophobicContact CD1-CB 3.59Å; A167-K323 PolarHBondContact O-N 2.94Å; T168-K323 WeakPolarHBondContact CA-O 3.38Å; T169-K323 PolarHBondContact N-O 3.37Å; G281-K323 VanDerWaalsContact O-CE 3.27Å; G281-K323 WeakPolarHBondContact O-CE 3.48Å
324	A	92.5	Very high	80.8	Confident	4 Å²	4	42.8 Å²	42.8	3%	0.033	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.1	-179.9	0	0	0	0	0	110.8	F30 T169 F382	F30-A324 HydrophobicContact CD1-CB 3.83Å; F30-A324 HydrophobicContact CE1-CB 4.15Å; T169-A324 CarbonylContact O-C 3.39Å; T169-A324 VanDerWaalsContact O-CA 3.28Å; T169-A324 WeakPolarHBondContact O-CA 3.48Å; T169-A324 WeakPolarHBondContact OG1-CA 3.19Å; T169-A324 WeakPolarHBondContact OG1-CB 3.1Å; A324-F382 HydrophobicContact CB-CD1 4.12Å; A324-F382 HydrophobicContact CB-CE1 4.13Å
325	I	91.1	Very high	78.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.1	172.7	-64.3	-172.7	0	0	0	110.1	Q147 I148 T169 Y170 F171 L278 R279	Q147-I325 HydrophobicContact CB-CD1 4.02Å; Q147-I325 WeakPolarHBondContact O-CD1 3.38Å; I148-I325 HydrophobicContact CB-CD1 4.46Å; I148-I325 HydrophobicContact CD1-CD1 4.3Å; I148-I325 HydrophobicContact CD1-CG1 4.19Å; I148-I325 HydrophobicContact CG1-CD1 3.39Å; I148-I325 HydrophobicContact CG1-CG1 3.82Å; T169-I325 PolarHBondContact O-N 2.98Å; Y170-I325 HydrophobicContact CD2-CB 3.96Å; Y170-I325 HydrophobicContact CD2-CG2 3.74Å; Y170-I325 HydrophobicContact CE2-CG2 4.05Å; F171-I325 PolarHBondContact N-O 2.95Å; L278-I325 VanDerWaalsContact O-CA 3.29Å; L278-I325 WeakPolarHBondContact O-CA 3.29Å; R279-I325 HydrophobicContact CB-CD1 4.49Å; R279-I325 HydrophobicContact CG-CD1 4.49Å; R279-I325 HydrophobicContact CG-CG2 3.91Å
326	F	90.1	Very high	76.5	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.8	171.3	167.4	-106.8	0	0	0	111.4	F30 F171 F225 L232 F276 L278 A328 I371 I373	F30-F326 HydrophobicContact CD1-CB 4.1Å; F30-F326 HydrophobicContact CE1-CB 3.34Å; F30-F326 HydrophobicContact CE1-CG 4.46Å; F30-F326 HydrophobicContact CE2-CB 4.31Å; F30-F326 HydrophobicContact CZ-CB 3.44Å; F30-F326 VanDerWaalsContact CZ-CB 3.44Å; F30-F326 HydrophobicContact CZ-CG 4.12Å; F171-F326 AromaticContact CD1-CD2 3.67Å; F171-F326 HydrophobicContact CD1-CD2 3.67Å; F171-F326 AromaticContact CD1-CE2 3.84Å; F171-F326 HydrophobicContact CD1-CE2 3.84Å; F171-F326 HydrophobicContact CE1-CD2 4.32Å; F171-F326 HydrophobicContact CE1-CE2 4.03Å; F171-F326 HydrophobicContact CG-CD2 4.47Å; F225-F326 HydrophobicContact CE1-CE2 4.37Å; F225-F326 AromaticContact CZ-CE2 3.77Å; F225-F326 HydrophobicContact CZ-CE2 3.77Å; F225-F326 HydrophobicContact CZ-CZ 4.09Å; L232-F326 HydrophobicContact CD1-CE2 4.38Å; L232-F326 HydrophobicContact CD1-CZ 4.06Å; L232-F326 HydrophobicContact CD2-CZ 4.33Å; F276-F326 HydrophobicContact CD2-CD1 4.41Å; F276-F326 HydrophobicContact CD2-CE1 4.4Å; F276-F326 AromaticContact CE2-CD1 3.77Å; F276-F326 HydrophobicContact CE2-CD1 3.77Å; F276-F326 AromaticContact CE2-CE1 3.58Å; F276-F326 HydrophobicContact CE2-CE1 3.58Å; F276-F326 AromaticContact CZ-CE1 3.91Å; F276-F326 HydrophobicContact CZ-CE1 3.91Å; L278-F326 HydrophobicContact CB-CB 4.31Å; L278-F326 HydrophobicContact CD1-CD1 4.33Å; L278-F326 HydrophobicContact CG-CD1 4.47Å; L278-F326 PolarHBondContact N-O 3.46Å; L278-F326 PolarHBondContact O-N 2.96Å; F326-A328 HydrophobicContact CE1-CB 4.37Å; F326-A328 HydrophobicContact CE2-CB 4.47Å; F326-A328 HydrophobicContact CZ-CB 3.84Å; F326-I371 HydrophobicContact CD1-CD1 4.33Å; F326-I371 HydrophobicContact CE1-CD1 4.09Å; F326-I373 HydrophobicContact CD2-CD1 3.41Å; F326-I373 VanDerWaalsContact CD2-CD1 3.41Å; F326-I373 HydrophobicContact CD2-CG1 4.36Å; F326-I373 HydrophobicContact CE2-CD1 3.74Å; F326-I373 HydrophobicContact CE2-CG1 4.35Å; F326-I373 HydrophobicContact CG-CD1 4.32Å
327	E	89.1	Confident	73.9	Confident	17 Å²	17	48 Å²	48	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.6	171.2	-177.7	163.4	168.3	0	0	109.9	Y170 F171 K172 G173 K277 R279	Y170-E327 HydrophobicContact CE2-CB 4.37Å; F171-E327 PolarHBondContact O-N 2.94Å; K172-E327 VanDerWaalsContact CA-O 3.25Å; K172-E327 WeakPolarHBondContact CA-O 3.44Å; K172-E327 HydrophobicContact CG-CB 4.45Å; K172-E327 HydrophobicContact CG-CG 4.44Å; G173-E327 PolarHBondContact N-O 3.07Å; K277-E327 HydrophobicContact CD-CG 4.1Å; K277-E327 WeakPolarHBondContact CE-OE1 3.49Å; K277-E327 HydrophobicContact CG-CG 4.38Å; K277-E327 VanDerWaalsContact NZ-CD 3.28Å; K277-E327 IonicContact NZ-OE1 2.64Å; K277-E327 PolarHBondContact NZ-OE1 3.32Å; K277-E327 IonicContact NZ-OE2 3.15Å; K277-E327 PolarHBondContact NZ-OE2 2.83Å; R279-E327 IonicContact CZ-OE2 2.7Å; R279-E327 IonicContact NE-OE2 3.37Å; R279-E327 IonicContact NH2-OE2 2.75Å; R279-E327 PolarHBondContact NH2-OE2 3.01Å
328	A	86.1	Confident	70.8	Confident	24 Å²	24	51 Å²	51	20%	0.198	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133	163.4	0	0	0	0	0	108.8	G173 W175 F225 F326	G173-A328 WeakPolarHBondContact O-CA 3.35Å; W175-A328 HydrophobicContact CH2-CB 3.85Å; W175-A328 HydrophobicContact CZ2-CB 3.23Å; F225-A328 HydrophobicContact CE1-CB 4.43Å; F326-A328 HydrophobicContact CE1-CB 4.37Å; F326-A328 HydrophobicContact CE2-CB 4.47Å; F326-A328 HydrophobicContact CZ-CB 3.84Å
329	S	75.6	Confident	68.1	Low	26 Å²	26	53.7 Å²	53.7	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.7	174.6	65.5	0	0	0	0	111	G173	G173-S329 PolarHBondContact O-N 2.78Å
330	E	68.5	Low	65.3	Low	33 Å²	33	56.5 Å²	56.5	15%	0.154	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-70.3	164.3	165	-61.5	-168.1	-166.8	0	0	110.5	F179 E181 M202 K275 D332	F179-E330 VanDerWaalsContact O-OE2 3.05Å; E181-E330 WeakPolarHBondContact CG-OE2 3.29Å; E181-E330 VanDerWaalsContact OE1-CD 3.24Å; M202-E330 HydrophobicContact SD-CG 4.31Å; K275-E330 WeakPolarHBondContact CE-OE1 3.34Å; K275-E330 IonicContact NZ-OE1 2.82Å; K275-E330 PolarHBondContact NZ-OE1 3.34Å; E330-D332 PolarHBondContact O-N 2.78Å
331	L	52.5	Low	62.1	Low	45 Å²	45	59.6 Å²	59.6	24%	0.236	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.1	116.2	-179.7	-163.9	106.4	0	0	0	109.1	M174 T333	M174-L331 HydrophobicContact CE-CB 4.38Å; M174-L331 HydrophobicContact CE-CD1 3.99Å; M174-L331 HydrophobicContact CE-CG 4.11Å; L331-T333 PolarHBondContact O-N 3.31Å; L331-T333 VanDerWaalsContact O-N 3.1Å
332	D	43.3	Very low	58.9	Low	145 Å²	145	63 Å²	63	78%	0.775	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-56	120.7	167.4	-79.4	-33.7	0	0	0	108.2	E330 Y334	E330-D332 PolarHBondContact O-N 2.78Å; D332-Y334 PolarHBondContact O-N 3.06Å
333	T	35.5	Very low	56	Low	88 Å²	88	67 Å²	67	54%	0.54	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	87.4	-175.4	40.5	0	0	0	0	112.1	L331 K336	L331-T333 PolarHBondContact O-N 3.31Å; L331-T333 VanDerWaalsContact O-N 3.1Å; T333-K336 HydrophobicContact CG2-CD 3.63Å; T333-K336 HydrophobicContact CG2-CG 4.14Å
334	Y	39.1	Very low	53.2	Low	228 Å²	228	70.6 Å²	70.6	89%	0.894	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	-16.3	151.2	-138.1	-91.8	0	0	0	114.1	D332	D332-Y334 PolarHBondContact O-N 3.06Å
335	E	38.8	Very low	50.1	Low	104 Å²	104	74.1 Å²	74.1	49%	0.486	46%	0.458	S	S	.	.			trans	-113.1	42	174	-71.6	-168.4	149	0	0	112.8	G337	E335-G337 PolarHBondContact O-N 3.15Å
336	K	41.5	Very low	47.1	Very low	159 Å²	159	79.3 Å²	79.3	69%	0.691	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-2.2	176.4	-94	-174.8	164.9	169	0	114.8	T333	T333-K336 HydrophobicContact CG2-CD 3.63Å; T333-K336 HydrophobicContact CG2-CG 4.14Å
337	G	38.9	Very low	44.2	Very low	57 Å²	57	88.1 Å²	88.1	59%	0.588	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.5	-26.8	-170.2	0	0	0	0	0	118.3	E335	E335-G337 PolarHBondContact O-N 3.15Å
338	A	31.2	Very low	41.5	Very low	65 Å²	65	94.7 Å²	94.7	54%	0.537	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-41.6	-164.5	0	0	0	0	0	114.5	A342	A338-A342 PolarHBondContact O-N 3.46Å
339	V	38.1	Very low	39.1	Very low	77 Å²	77	99 Å²	99	47%	0.467	59%	0.587	S	S	.	*	H	α-helix	trans	-79	-38.4	-169.2	-172.3	0	0	0	0	112.4	A341 A342 A343	V339-A341 VanDerWaalsContact C-N 3.28Å; V339-A341 PolarHBondContact O-N 3.26Å; V339-A342 PolarHBondContact O-N 2.65Å; V339-A343 PolarHBondContact O-N 2.65Å
340	A	36.4	Very low	37	Very low	76 Å²	76	109.1 Å²	109.1	63%	0.628	62%	0.622	S	S	*	*	H	α-helix	trans	-66.8	-29.8	174.8	0	0	0	0	0	112.3	T344	A340-T344 PolarHBondContact O-OG1 3.14Å
341	A	30.5	Very low	35.6	Very low	65 Å²	65	112.6 Å²	112.6	54%	0.537	65%	0.648	S	S	.	*	H	α-helix	trans	-73.9	-36	175.3	0	0	0	0	0	112.3	V339	V339-A341 VanDerWaalsContact C-N 3.28Å; V339-A341 PolarHBondContact O-N 3.26Å
342	A	29.9	Very low	35.1	Very low	77 Å²	77	117.4 Å²	117.4	64%	0.636	68%	0.68	S	S	*	*	H	α-helix	trans	-76.3	-37.1	-176.2	0	0	0	0	0	113.9	A338 V339 T344	A338-A342 PolarHBondContact O-N 3.46Å; V339-A342 PolarHBondContact O-N 2.65Å; A342-T344 VanDerWaalsContact C-N 3.29Å; A342-T344 PolarHBondContact O-N 2.92Å
343	A	34	Very low	34.9	Very low	84 Å²	84	114.1 Å²	114.1	69%	0.694	67%	0.673	S	S	*	*	H	α-helix	trans	-74.6	-17.9	-179.3	0	0	0	0	0	113.8	V339	V339-A343 PolarHBondContact O-N 2.65Å
344	T	33.9	Very low	35.3	Very low	108 Å²	108	119.7 Å²	119.7	66%	0.663	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	13.3	-176	-10.4	0	0	0	0	113.9	A340 A342 T346	A340-T344 PolarHBondContact O-OG1 3.14Å; A342-T344 VanDerWaalsContact C-N 3.29Å; A342-T344 PolarHBondContact O-N 2.92Å; T344-T346 PolarHBondContact O-N 3.02Å
345	A	27.5	Very low	35.6	Very low	77 Å²	77	115.8 Å²	115.8	64%	0.636	68%	0.683	S	S	*	*			trans	-83.1	18.4	176	0	0	0	0	0	113.8	Q347	A345-Q347 PolarHBondContact O-N 3.28Å; A345-Q347 VanDerWaalsContact O-N 3.08Å
346	T	29.4	Very low	36	Very low	109 Å²	109	114.6 Å²	114.6	67%	0.669	69%	0.687	S	S	*	*	S	Bend	trans	-72.9	101.1	160.7	42.9	0	0	0	0	107.8	T344 M348	T344-T346 PolarHBondContact O-N 3.02Å; T346-M348 PolarHBondContact O-N 2.88Å
347	Q	29.1	Very low	36.6	Very low	186 Å²	186	115.4 Å²	115.4	87%	0.869	69%	0.692	S	S	*	*			trans	-41.2	96.9	174.4	-69.4	176.2	-13.3	0	0	111.4	A345 V349	A345-Q347 PolarHBondContact O-N 3.28Å; A345-Q347 VanDerWaalsContact O-N 3.08Å; Q347-V349 PolarHBondContact O-N 2.82Å; Q347-V349 VanDerWaalsContact O-N 3.15Å
348	M	32.1	Very low	38.1	Very low	156 Å²	156	120.9 Å²	120.9	77%	0.768	70%	0.7	S	S	*	*			trans	-77.5	98.7	160.8	-76.6	-167.1	-158.6	0	0	107.2	T346 R350	T346-M348 PolarHBondContact O-N 2.88Å; M348-R350 PolarHBondContact O-N 3.3Å; M348-R350 VanDerWaalsContact O-N 3.16Å
349	V	34.6	Very low	40.6	Very low	113 Å²	113	123.3 Å²	123.3	69%	0.685	71%	0.71	S	S	*	*			trans	-54.1	117.6	161.7	177.1	0	0	0	0	107	Q347 C351	Q347-V349 PolarHBondContact O-N 2.82Å; Q347-V349 VanDerWaalsContact O-N 3.15Å; V349-C351 VanDerWaalsContact C-N 3.25Å; V349-C351 PolarHBondContact O-N 2.84Å
350	R	32.8	Very low	43	Very low	239 Å²	239	121.7 Å²	121.7	90%	0.902	70%	0.7	S	S	*	*			trans	-64.9	88.9	169.7	-89.3	-173.9	174.7	-177	-0.6	108.4	M348 T352	M348-R350 PolarHBondContact O-N 3.3Å; M348-R350 VanDerWaalsContact O-N 3.16Å; R350-T352 PolarHBondContact O-N 3.08Å
351	C	38.5	Very low	45.7	Very low	106 Å²	106	121 Å²	121	72%	0.716	69%	0.69	S	S	*	*			trans	-76.9	110.2	158	-70.2	0	0	0	0	107	V349 A353	V349-C351 VanDerWaalsContact C-N 3.25Å; V349-C351 PolarHBondContact O-N 2.84Å; C351-A353 VanDerWaalsContact C-N 3.29Å; C351-A353 PolarHBondContact O-N 3.06Å
352	T	41.3	Very low	48.7	Very low	146 Å²	146	122.4 Å²	122.4	90%	0.896	69%	0.685	S	S	*	*			trans	-64.1	88.6	170.9	46.6	0	0	0	0	109.3	R350	R350-T352 PolarHBondContact O-N 3.08Å
353	A	40.3	Very low	51.9	Low	76 Å²	76	118.7 Å²	118.7	63%	0.628	66%	0.655	S	S	*	*			trans	-138.8	112.6	169.7	0	0	0	0	0	108.2	C351	C351-A353 VanDerWaalsContact C-N 3.29Å; C351-A353 PolarHBondContact O-N 3.06Å
354	F	42.8	Very low	54.9	Low	206 Å²	206	117.5 Å²	117.5	90%	0.904	63%	0.632	S	S	*	*			trans	29.4	96.4	166.8	-62.2	-84.7	0	0	0	116	S356	F354-S356 VanDerWaalsContact C-N 3.29Å; F354-S356 PolarHBondContact O-N 3.03Å
355	I	46.3	Very low	57.9	Low	145 Å²	145	112.3 Å²	112.3	74%	0.744	60%	0.6	S	S	*	*			trans	-60.4	97.3	165.7	-58	170.7	0	0	0	106.7	H357	I355-H357 PolarHBondContact O-N 2.95Å
356	S	47.8	Very low	61.1	Low	80 Å²	80	110 Å²	110	56%	0.559	58%	0.577	S	S	*	*			trans	-58.7	105.5	166	177.8	0	0	0	0	106.5	F354 K358	F354-S356 VanDerWaalsContact C-N 3.29Å; F354-S356 PolarHBondContact O-N 3.03Å; S356-K358 PolarHBondContact O-N 2.88Å; S356-K358 WeakPolarHBondContact OG-CG 3.07Å
357	H	53.2	Low	64.3	Low	176 Å²	176	105.1 Å²	105.1	82%	0.815	55%	0.547	S	S	*	.			trans	-65.4	20.3	174.1	-72.4	-76.6	0	0	0	113	I355 P359	I355-H357 PolarHBondContact O-N 2.95Å; H357-P359 WeakPolarHBondContact O-CD 3.27Å; H357-P359 VanDerWaalsContact O-N 3.16Å
358	K	70.4	Confident	67.5	Low	171 Å²	171	96.2 Å²	96.2	74%	0.743	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-62.7	120.6	174	-76.4	-175.7	-178.5	-176.2	0	107.6	S356	S356-K358 PolarHBondContact O-N 2.88Å; S356-K358 WeakPolarHBondContact OG-CG 3.07Å
359	P	83.6	Confident	70.5	Confident	117 Å²	117	88.8 Å²	88.8	76%	0.76	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-58.7	143.3	177.3	24.7	-32.6	0	0	0	109.2	H357	H357-P359 WeakPolarHBondContact O-CD 3.27Å; H357-P359 VanDerWaalsContact O-N 3.16Å
360	V	87.7	Confident	73.4	Confident	42 Å²	42	83.4 Å²	83.4	26%	0.255	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-60.1	126.2	175.5	178.3	0	0	0	0	107.9	K268	K268-V360 HydrophobicContact CD-CG2 4.25Å; K268-V360 HydrophobicContact CG-CG1 4.25Å; K268-V360 WeakPolarHBondContact O-CG1 3.33Å
361	P	93.1	Very high	76.4	Confident	62 Å²	62	72 Å²	72	40%	0.403	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-61.1	147.6	-179.8	23.9	-32.9	0	0	0	111.6	T267 K268 L269 N270	T267-P361 HydrophobicContact CG2-CG 4.13Å; K268-P361 WeakPolarHBondContact O-CD 3.26Å; K268-P361 WeakPolarHBondContact O-CG 3.18Å; L269-P361 HydrophobicContact CD1-CB 4.27Å; L269-P361 HydrophobicContact CD1-CG 4.2Å; L269-P361 VanDerWaalsContact CD1-O 3.3Å; L269-P361 WeakPolarHBondContact CD1-O 3.49Å; N270-P361 PolarHBondContact N-O 2.92Å
362	E	94.9	Very high	79.1	Confident	94 Å²	94	67 Å²	67	44%	0.439	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.3	175.1	-66.3	-171	-163	0	0	111.5	R219 N270 Y272 R364	R219-E362 PolarHBondContact NH1-O 3.37Å; N270-E362 HydrophobicContact CB-CG 3.98Å; N270-E362 WeakPolarHBondContact O-CA 3.35Å; Y272-E362 HydrophobicContact CE2-CG 4.19Å; E362-R364 IonicContact OE2-CZ 2.66Å; E362-R364 IonicContact OE2-NE 3.82Å; E362-R364 IonicContact OE2-NH2 3.69Å; E362-R364 PolarHBondContact OE2-NH2 2.97Å
363	F	96.9	Very high	81.6	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	99.1	166.4	-164.8	-77.1	0	0	0	107.9	M210 R219 V221 V234 L236 L269 N270 L271 Y272 V365	M210-F363 HydrophobicContact CE-CD2 4.13Å; M210-F363 HydrophobicContact SD-CD2 4.44Å; R219-F363 HydrophobicContact CB-CD2 4.43Å; R219-F363 HydrophobicContact CB-CE2 3.76Å; V221-F363 HydrophobicContact CB-CD1 4.46Å; V221-F363 HydrophobicContact CB-CD2 4.28Å; V221-F363 HydrophobicContact CB-CE1 4.26Å; V221-F363 HydrophobicContact CB-CE2 4.07Å; V221-F363 HydrophobicContact CB-CG 4.48Å; V221-F363 HydrophobicContact CB-CZ 4.07Å; V221-F363 HydrophobicContact CG1-CD1 3.82Å; V221-F363 HydrophobicContact CG1-CD2 4.46Å; V221-F363 HydrophobicContact CG1-CE1 3.47Å; V221-F363 VanDerWaalsContact CG1-CE1 3.47Å; V221-F363 HydrophobicContact CG1-CE2 4.15Å; V221-F363 HydrophobicContact CG1-CG 4.31Å; V221-F363 HydrophobicContact CG1-CZ 3.66Å; V234-F363 HydrophobicContact CG1-CE1 4.15Å; L236-F363 HydrophobicContact CB-CE1 3.94Å; L236-F363 HydrophobicContact CB-CE2 4.43Å; L236-F363 HydrophobicContact CB-CZ 3.61Å; L236-F363 HydrophobicContact CD2-CD1 4.37Å; L236-F363 HydrophobicContact CD2-CE1 4.02Å; L236-F363 HydrophobicContact CD2-CZ 4.27Å; L269-F363 HydrophobicContact CD1-CB 3.75Å; L269-F363 HydrophobicContact CD2-CB 3.6Å; L269-F363 HydrophobicContact CD2-CG 4.35Å; L269-F363 HydrophobicContact CG-CB 3.93Å; N270-F363 PolarHBondContact O-N 2.95Å; L271-F363 HydrophobicContact CD1-CB 4.22Å; L271-F363 HydrophobicContact CD1-CD1 3.9Å; L271-F363 HydrophobicContact CD1-CG 4.4Å; Y272-F363 PolarHBondContact N-O 3.13Å; F363-V365 HydrophobicContact CD1-CG2 3.85Å; F363-V365 HydrophobicContact CE1-CG2 3.63Å
364	R	96.6	Very high	84.3	Confident	58 Å²	58	56.4 Å²	56.4	22%	0.219	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	106.4	-172.5	-176.8	-177.1	-61.8	-87	-2	110.8	L201 L236 Y272 E362 N366	L201-R364 HydrophobicContact CD2-CG 4.33Å; L201-R364 VanDerWaalsContact CD2-NH1 3.34Å; L236-R364 VanDerWaalsContact CD2-O 3.25Å; L236-R364 WeakPolarHBondContact CD2-O 3.42Å; Y272-R364 HydrophobicContact CD2-CB 4.2Å; Y272-R364 HydrophobicContact CD2-CG 4.44Å; Y272-R364 HydrophobicContact CG-CG 4.41Å; Y272-R364 VanDerWaalsContact CZ-NH2 3.34Å; E362-R364 IonicContact OE2-CZ 2.66Å; E362-R364 IonicContact OE2-NE 3.82Å; E362-R364 IonicContact OE2-NH2 3.69Å; E362-R364 PolarHBondContact OE2-NH2 2.97Å; R364-N366 VanDerWaalsContact C-N 3.29Å; R364-N366 HydrophobicContact CG-CB 3.96Å; R364-N366 PolarHBondContact O-N 3.43Å; R364-N366 PolarHBondContact O-OD1 2.98Å
365	V	96.9	Very high	86.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.			trans	-81.2	77.7	178.7	-174	0	0	0	0	109	V234 L236 Y272 L273 P274 F363 F369	V234-V365 HydrophobicContact CG1-CG1 4.5Å; V234-V365 HydrophobicContact CG1-CG2 3.95Å; L236-V365 HydrophobicContact CD1-CG1 4.31Å; Y272-V365 PolarHBondContact O-N 3.05Å; L273-V365 HydrophobicContact CD1-CB 4.36Å; L273-V365 HydrophobicContact CD1-CG2 4.05Å; P274-V365 WeakPolarHBondContact CD-O 3.38Å; P274-V365 HydrophobicContact CG-CG1 4.19Å; F363-V365 HydrophobicContact CD1-CG2 3.85Å; F363-V365 HydrophobicContact CE1-CG2 3.63Å; V365-F369 HydrophobicContact CG1-CB 4.25Å; V365-F369 HydrophobicContact CG1-CD1 3.26Å; V365-F369 HydrophobicContact CG1-CD2 4.17Å; V365-F369 HydrophobicContact CG1-CE1 3.46Å; V365-F369 VanDerWaalsContact CG1-CE1 3.46Å; V365-F369 HydrophobicContact CG1-CE2 4.33Å; V365-F369 HydrophobicContact CG1-CG 3.64Å; V365-F369 HydrophobicContact CG1-CZ 4.01Å
366	N	95.8	Very high	88.9	Confident	28 Å²	28	43.8 Å²	43.8	15%	0.15	23%	0.229	C	C	.	.			trans	-115.4	16.5	-176.8	66.7	-9.6	0	0	0	113.6	F189 Y190 R364	F189-N366 CarbonylContact C-O 3.36Å; F189-N366 VanDerWaalsContact CA-O 3.27Å; F189-N366 WeakPolarHBondContact CA-O 3.23Å; Y190-N366 WeakPolarHBondContact CD2-O 3.34Å; Y190-N366 PolarHBondContact N-O 3.18Å; R364-N366 VanDerWaalsContact C-N 3.29Å; R364-N366 HydrophobicContact CG-CB 3.96Å; R364-N366 PolarHBondContact O-N 3.43Å; R364-N366 PolarHBondContact O-OD1 2.98Å
367	H	96	Very high	90.9	Very high	6 Å²	6	44 Å²	44	3%	0.028	22%	0.224	C	C	.	.	S	Bend	trans	-158.7	168.4	178.4	62.3	-93.1	0	0	0	109	F189 Y190 L236 P237 N240 F369	F189-H367 VanDerWaalsContact CE2-N 3.3Å; Y190-H367 WeakPolarHBondContact O-CA 3.27Å; L236-H367 VanDerWaalsContact CD1-CE1 3.47Å; L236-H367 WeakPolarHBondContact CD1-CE1 3.31Å; L236-H367 WeakPolarHBondContact CD1-NE2 3.49Å; P237-H367 PolarHBondContact O-CE1 2.84Å; P237-H367 PolarHBondContact O-NE2 3.44Å; N240-H367 HydrophobicContact CB-CB 4Å; H367-F369 WeakPolarHBondContact O-CD1 3.39Å; H367-F369 PolarHBondContact O-N 2.9Å
368	P	95.9	Very high	92.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.			trans	-46.3	133	-175.3	-34.2	32	0	0	0	114.9	F189 Y190 L192 P237 L243 V386	F189-P368 HydrophobicContact CE1-CG 4.41Å; Y190-P368 WeakPolarHBondContact O-CD 3.47Å; L192-P368 HydrophobicContact CD2-CB 3.92Å; L192-P368 HydrophobicContact CD2-CG 3.68Å; L192-P368 HydrophobicContact CG-CB 4.25Å; L192-P368 HydrophobicContact CG-CG 3.71Å; P237-P368 WeakPolarHBondContact CD-O 3.12Å; L243-P368 HydrophobicContact CB-CB 3.77Å; L243-P368 HydrophobicContact CD2-CB 3.61Å; L243-P368 HydrophobicContact CG-CB 4.27Å; P368-V386 CarbonylContact C-O 3.59Å; P368-V386 WeakPolarHBondContact CA-O 3.47Å; P368-V386 WeakPolarHBondContact CB-O 3.43Å
369	F	95.7	Very high	93.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.6	-170.8	62.4	-86.1	0	0	0	111.7	F189 V234 L236 P274 F276 V365 H367 I371 H385 V386	F189-F369 HydrophobicContact CE2-CD1 4.34Å; F189-F369 HydrophobicContact CE2-CE1 4.22Å; F189-F369 HydrophobicContact CZ-CD1 4.48Å; F189-F369 HydrophobicContact CZ-CE1 4.48Å; V234-F369 HydrophobicContact CG1-CB 4.39Å; V234-F369 HydrophobicContact CG1-CD2 3.86Å; V234-F369 HydrophobicContact CG1-CG 4.36Å; L236-F369 HydrophobicContact CD1-CB 3.95Å; P274-F369 HydrophobicContact CG-CE1 4.31Å; F276-F369 HydrophobicContact CD1-CZ 4.29Å; F276-F369 HydrophobicContact CE1-CE2 4.3Å; F276-F369 AromaticContact CE1-CZ 3.78Å; F276-F369 HydrophobicContact CE1-CZ 3.78Å; F276-F369 HydrophobicContact CZ-CE2 4.1Å; F276-F369 AromaticContact CZ-CZ 3.94Å; F276-F369 HydrophobicContact CZ-CZ 3.94Å; V365-F369 HydrophobicContact CG1-CB 4.25Å; V365-F369 HydrophobicContact CG1-CD1 3.26Å; V365-F369 HydrophobicContact CG1-CD2 4.17Å; V365-F369 HydrophobicContact CG1-CE1 3.46Å; V365-F369 VanDerWaalsContact CG1-CE1 3.46Å; V365-F369 HydrophobicContact CG1-CE2 4.33Å; V365-F369 HydrophobicContact CG1-CG 3.64Å; V365-F369 HydrophobicContact CG1-CZ 4.01Å; H367-F369 WeakPolarHBondContact O-CD1 3.39Å; H367-F369 PolarHBondContact O-N 2.9Å; F369-I371 HydrophobicContact CD2-CB 4.31Å; F369-I371 HydrophobicContact CE2-CB 4.11Å; F369-I371 HydrophobicContact CE2-CD1 4.35Å; F369-H385 WeakPolarHBondContact O-CA 3.45Å; F369-V386 HydrophobicContact CD1-CB 4.16Å; F369-V386 HydrophobicContact CE1-CB 3.74Å; F369-V386 HydrophobicContact CE1-CG1 3.88Å; F369-V386 HydrophobicContact CE1-CG2 4.27Å; F369-V386 HydrophobicContact CE2-CB 4.17Å; F369-V386 HydrophobicContact CE2-CG2 3.92Å; F369-V386 HydrophobicContact CZ-CB 3.74Å; F369-V386 HydrophobicContact CZ-CG1 4.08Å; F369-V386 HydrophobicContact CZ-CG2 3.74Å; F369-V386 PolarHBondContact N-O 3.14Å; F369-V386 VanDerWaalsContact N-O 3.07Å; F369-V386 PolarHBondContact O-N 2.93Å
370	F	95	Very high	94	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	144.2	169.7	172.4	-86.1	0	0	0	110	Y15 I235 L246 L247 M250 I256 L383 G384	Y15-F370 HydrophobicContact CD1-CE2 4.37Å; Y15-F370 HydrophobicContact CE1-CD2 4.03Å; Y15-F370 AromaticContact CE1-CE2 3.45Å; Y15-F370 HydrophobicContact CE1-CE2 3.45Å; Y15-F370 VanDerWaalsContact CE1-CE2 3.45Å; Y15-F370 HydrophobicContact CE1-CZ 4.48Å; Y15-F370 AromaticContact CZ-CE2 3.73Å; I235-F370 HydrophobicContact CB-CB 4.19Å; I235-F370 HydrophobicContact CB-CD1 4.24Å; I235-F370 HydrophobicContact CD1-CD1 3.55Å; I235-F370 HydrophobicContact CD1-CE1 4.05Å; I235-F370 HydrophobicContact CD1-CG 4.39Å; I235-F370 HydrophobicContact CG1-CD1 3.87Å; I235-F370 PolarHBondContact N-O 3.42Å; I235-F370 PolarHBondContact O-N 3.44Å; L246-F370 HydrophobicContact CD2-CB 4.17Å; L247-F370 HydrophobicContact CD2-CD2 4Å; M250-F370 HydrophobicContact CE-CD1 4.41Å; M250-F370 HydrophobicContact CE-CD2 4.37Å; M250-F370 HydrophobicContact CE-CE1 4.22Å; M250-F370 HydrophobicContact CE-CE2 4.21Å; M250-F370 HydrophobicContact CE-CG 4.48Å; M250-F370 HydrophobicContact CE-CZ 4.13Å; M250-F370 HydrophobicContact SD-CD2 4.37Å; M250-F370 HydrophobicContact SD-CG 4.27Å; I256-F370 HydrophobicContact CD1-CE1 3.89Å; I256-F370 HydrophobicContact CD1-CZ 3.71Å; F370-L383 HydrophobicContact CE2-CB 4.26Å; F370-L383 HydrophobicContact CZ-CB 3.89Å; F370-G384 WeakPolarHBondContact CD2-O 3.3Å; F370-G384 VanDerWaalsContact CE2-O 3.3Å; F370-G384 WeakPolarHBondContact CE2-O 3.43Å
371	I	94.8	Very high	94.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.4	-177.5	-170	178.6	0	0	0	110.6	F30 L232 L233 F276 L278 F326 F369 L383 G384 V386	F30-I371 HydrophobicContact CD2-CG2 4.19Å; F30-I371 HydrophobicContact CE2-CG2 4.31Å; L232-I371 HydrophobicContact CD1-CD1 3.79Å; L232-I371 HydrophobicContact CD1-CG1 3.57Å; L232-I371 HydrophobicContact CD2-CD1 4.21Å; L232-I371 HydrophobicContact CD2-CG1 4.36Å; L232-I371 HydrophobicContact CG-CD1 4.47Å; L232-I371 HydrophobicContact CG-CG1 4.19Å; L233-I371 WeakPolarHBondContact O-CA 3.45Å; F276-I371 HydrophobicContact CE2-CD1 3.54Å; F276-I371 HydrophobicContact CZ-CD1 3.44Å; F276-I371 VanDerWaalsContact CZ-CD1 3.44Å; L278-I371 HydrophobicContact CD1-CD1 4.41Å; L278-I371 HydrophobicContact CD1-CG2 4.35Å; F326-I371 HydrophobicContact CD1-CD1 4.33Å; F326-I371 HydrophobicContact CE1-CD1 4.09Å; F369-I371 HydrophobicContact CD2-CB 4.31Å; F369-I371 HydrophobicContact CE2-CB 4.11Å; F369-I371 HydrophobicContact CE2-CD1 4.35Å; I371-L383 CarbonylContact O-C 3.57Å; I371-L383 WeakPolarHBondContact O-CA 3.47Å; I371-G384 PolarHBondContact N-O 2.66Å; I371-G384 PolarHBondContact O-N 3.02Å; I371-G384 VanDerWaalsContact O-O 3.14Å; I371-V386 HydrophobicContact CG2-CG2 4.27Å
372	S	95.5	Very high	94.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	143.8	171.6	-178.8	0	0	0	0	112.2	L233 I374 F382	L233-S372 PolarHBondContact N-O 3.16Å; L233-S372 PolarHBondContact O-N 3.42Å; S372-I374 VanDerWaalsContact OG-CD1 3.25Å; S372-I374 WeakPolarHBondContact OG-CD1 3.37Å; S372-F382 CarbonylContact C-O 3.54Å; S372-F382 WeakPolarHBondContact CA-O 3.45Å; S372-F382 WeakPolarHBondContact CB-O 3.42Å; S372-F382 PolarHBondContact OG-O 2.82Å
373	I	95.3	Very high	94.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.6	171.4	-55.5	175.9	0	0	0	107.7	F30 F171 F225 F230 L232 F326 I381 F382	F30-I373 HydrophobicContact CZ-CD1 4.19Å; F171-I373 HydrophobicContact CB-CD1 4.07Å; F171-I373 HydrophobicContact CD1-CD1 3.57Å; F171-I373 HydrophobicContact CD2-CD1 4.04Å; F171-I373 HydrophobicContact CD2-CG2 4.34Å; F171-I373 HydrophobicContact CE1-CD1 3.93Å; F171-I373 HydrophobicContact CE2-CD1 4.38Å; F171-I373 HydrophobicContact CE2-CG2 3.88Å; F171-I373 HydrophobicContact CG-CD1 3.62Å; F171-I373 HydrophobicContact CZ-CD1 4.32Å; F171-I373 HydrophobicContact CZ-CG2 4Å; F225-I373 HydrophobicContact CE2-CG2 4.47Å; F230-I373 HydrophobicContact CD1-CG2 4.35Å; L232-I373 HydrophobicContact CD1-CG1 3.89Å; F326-I373 HydrophobicContact CD2-CD1 3.41Å; F326-I373 VanDerWaalsContact CD2-CD1 3.41Å; F326-I373 HydrophobicContact CD2-CG1 4.36Å; F326-I373 HydrophobicContact CE2-CD1 3.74Å; F326-I373 HydrophobicContact CE2-CG1 4.35Å; F326-I373 HydrophobicContact CG-CD1 4.32Å; I373-I381 PolarHBondContact O-N 2.86Å; I373-F382 HydrophobicContact CB-CB 4.07Å; I373-F382 HydrophobicContact CB-CD2 4Å; I373-F382 HydrophobicContact CB-CG 4.47Å; I373-F382 HydrophobicContact CD1-CB 4.06Å; I373-F382 HydrophobicContact CD1-CD2 3.76Å; I373-F382 HydrophobicContact CD1-CE2 4.42Å; I373-F382 HydrophobicContact CD1-CG 4Å; I373-F382 HydrophobicContact CG1-CB 4.09Å; I373-F382 HydrophobicContact CG1-CD2 4.33Å; I373-F382 HydrophobicContact CG2-CD2 4.46Å; I373-F382 PolarHBondContact N-O 3Å
374	I	95.6	Very high	94.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.4	-176.1	-49.4	-58.5	0	0	0	109.5	F230 T231 L233 I256 L260 S372 D377 L379 P380	F230-I374 WeakPolarHBondContact CA-O 3.48Å; T231-I374 PolarHBondContact N-O 2.83Å; T231-I374 PolarHBondContact O-N 3.1Å; L233-I374 HydrophobicContact CB-CD1 4.44Å; L233-I374 HydrophobicContact CB-CG1 3.91Å; L233-I374 HydrophobicContact CD2-CD1 4.44Å; I256-I374 HydrophobicContact CD1-CD1 4.43Å; L260-I374 HydrophobicContact CD1-CD1 4.05Å; L260-I374 HydrophobicContact CD1-CG2 4.21Å; L260-I374 HydrophobicContact CD2-CD1 3.82Å; L260-I374 HydrophobicContact CD2-CG1 3.78Å; L260-I374 HydrophobicContact CD2-CG2 4.06Å; L260-I374 HydrophobicContact CG-CD1 4.46Å; S372-I374 VanDerWaalsContact OG-CD1 3.25Å; S372-I374 WeakPolarHBondContact OG-CD1 3.37Å; I374-D377 VanDerWaalsContact CG2-C 3.43Å; I374-L379 CarbonylContact C-O 3.56Å; I374-L379 WeakPolarHBondContact CA-O 3.29Å; I374-P380 HydrophobicContact CD1-CB 4.02Å; I374-P380 HydrophobicContact CD1-CG 4.17Å
375	W	94.9	Very high	93.8	Very high	10 Å²	10	13 Å²	13	4%	0.038	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.2	175.4	-177.4	54.6	0	0	0	111.8	L77 D80 C81 K229 F230 D377 S378 L379 I381	L77-W375 HydrophobicContact CD2-CH2 4.3Å; L77-W375 HydrophobicContact CD2-CZ3 3.84Å; D80-W375 HydrophobicContact CB-CH2 3.75Å; D80-W375 HydrophobicContact CB-CZ2 3.77Å; C81-W375 HydrophobicContact CB-CD2 4.5Å; C81-W375 HydrophobicContact CB-CH2 4.06Å; C81-W375 HydrophobicContact CB-CZ2 4.05Å; C81-W375 HydrophobicContact CB-CZ3 4.28Å; K229-W375 CarbonylContact O-C 3.56Å; K229-W375 VanDerWaalsContact O-CA 3.24Å; K229-W375 WeakPolarHBondContact O-CA 3.31Å; F230-W375 HydrophobicContact CD1-CB 4.43Å; F230-W375 AromaticContact CD1-CD1 3.98Å; F230-W375 HydrophobicContact CE1-CB 4.39Å; F230-W375 AromaticContact CE1-CD1 3.58Å; F230-W375 HydrophobicContact CE1-CG 4.16Å; F230-W375 AromaticContact CZ-CD1 3.84Å; W375-D377 PolarHBondContact O-N 3.48Å; W375-S378 PolarHBondContact O-N 3.04Å; W375-S378 VanDerWaalsContact O-N 3.17Å; W375-L379 HydrophobicContact CE3-CB 4.46Å; W375-L379 HydrophobicContact CE3-CD2 3.79Å; W375-L379 HydrophobicContact CZ3-CD2 4.15Å; W375-L379 PolarHBondContact N-O 2.95Å; W375-L379 PolarHBondContact O-N 3.33Å; W375-I381 HydrophobicContact CB-CD1 3.3Å; W375-I381 HydrophobicContact CB-CG1 3.69Å; W375-I381 HydrophobicContact CD2-CD1 4.29Å; W375-I381 HydrophobicContact CG-CD1 3.76Å; W375-I381 HydrophobicContact CG-CG1 4.46Å
376	N	92.1	Very high	93.6	Very high	75 Å²	75	13 Å²	13	40%	0.401	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	41.4	-174.9	-59.5	-38.4	0	0	0	112.2	K229 S378	K229-N376 WeakPolarHBondContact CG-OD1 3.45Å; K229-N376 PolarHBondContact O-N 2.92Å; N376-S378 PolarHBondContact O-N 2.85Å; N376-S378 PolarHBondContact O-OG 3.26Å
377	D	88.6	Confident	93.4	Very high	84 Å²	84	12.3 Å²	12.3	45%	0.449	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	5.2	-180	-83.3	-56.6	0	0	0	117.4	K222 I374 W375	K222-D377 IonicContact NZ-OD1 2.95Å; K222-D377 PolarHBondContact NZ-OD1 2.96Å; I374-D377 VanDerWaalsContact CG2-C 3.43Å; W375-D377 PolarHBondContact O-N 3.48Å
378	S	87.7	Confident	92.9	Very high	65 Å²	65	12.8 Å²	12.8	46%	0.455	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131	-33.5	-167.7	50.1	0	0	0	0	114.1	L260 W375 N376	L260-S378 WeakPolarHBondContact CD1-O 3.4Å; W375-S378 PolarHBondContact O-N 3.04Å; W375-S378 VanDerWaalsContact O-N 3.17Å; N376-S378 PolarHBondContact O-N 2.85Å; N376-S378 PolarHBondContact O-OG 3.26Å
379	L	91.9	Very high	92.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117	-171.9	-172.4	63.6	0	0	0	112.5	L4 L7 F34 I374 W375 I381	L4-L379 HydrophobicContact CD1-CB 4.37Å; L4-L379 HydrophobicContact CD1-CD1 3.84Å; L4-L379 HydrophobicContact CD1-CD2 3.84Å; L4-L379 HydrophobicContact CD1-CG 4.23Å; L7-L379 HydrophobicContact CD2-CD1 3.86Å; L7-L379 HydrophobicContact CD2-CD2 3.81Å; L7-L379 HydrophobicContact CD2-CG 4.38Å; L7-L379 HydrophobicContact CG-CD1 4.05Å; F34-L379 HydrophobicContact CD2-CD2 3.81Å; F34-L379 HydrophobicContact CE2-CD2 3.98Å; I374-L379 CarbonylContact C-O 3.56Å; I374-L379 WeakPolarHBondContact CA-O 3.29Å; W375-L379 HydrophobicContact CE3-CB 4.46Å; W375-L379 HydrophobicContact CE3-CD2 3.79Å; W375-L379 HydrophobicContact CZ3-CD2 4.15Å; W375-L379 PolarHBondContact N-O 2.95Å; W375-L379 PolarHBondContact O-N 3.33Å; L379-I381 PolarHBondContact O-N 2.92Å
380	P	93.3	Very high	90.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	108.2	169.6	-10.7	25.5	0	0	0	110.7	T11 I256 L260 I374 L383	T11-P380 HydrophobicContact CG2-CB 4.42Å; T11-P380 HydrophobicContact CG2-CG 4.47Å; I256-P380 HydrophobicContact CB-CG 4.45Å; I256-P380 HydrophobicContact CD1-CB 3.86Å; I256-P380 HydrophobicContact CD1-CG 3.72Å; I256-P380 HydrophobicContact CG1-CG 4.12Å; I256-P380 HydrophobicContact CG2-CG 3.5Å; I256-P380 VanDerWaalsContact CG2-CG 3.5Å; L260-P380 HydrophobicContact CD1-CG 4.4Å; I374-P380 HydrophobicContact CD1-CB 4.02Å; I374-P380 HydrophobicContact CD1-CG 4.17Å; P380-L383 HydrophobicContact CB-CD2 4.42Å
381	I	94.2	Very high	88.9	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-40.4	174.5	-58.6	170.4	0	0	0	110.2	S32 P33 F34 C81 I90 F230 I373 W375 L379	S32-I381 WeakPolarHBondContact CA-O 3.26Å; S32-I381 WeakPolarHBondContact CB-O 3.4Å; S32-I381 PolarHBondContact OG-O 3.17Å; P33-I381 WeakPolarHBondContact CD-O 3.5Å; F34-I381 HydrophobicContact CB-CB 4.35Å; F34-I381 HydrophobicContact CB-CG2 3.83Å; F34-I381 HydrophobicContact CD1-CG2 4.24Å; F34-I381 HydrophobicContact CG-CG2 4.05Å; C81-I381 WeakPolarHBondContact SG-CD1 3.41Å; I90-I381 HydrophobicContact CD1-CD1 4.45Å; I90-I381 HydrophobicContact CD1-CG2 4.31Å; F230-I381 HydrophobicContact CD1-CD1 4.12Å; F230-I381 HydrophobicContact CE1-CD1 3.6Å; I373-I381 PolarHBondContact O-N 2.86Å; W375-I381 HydrophobicContact CB-CD1 3.3Å; W375-I381 HydrophobicContact CB-CG1 3.69Å; W375-I381 HydrophobicContact CD2-CD1 4.29Å; W375-I381 HydrophobicContact CG-CD1 3.76Å; W375-I381 HydrophobicContact CG-CG1 4.46Å; L379-I381 PolarHBondContact O-N 2.92Å
382	F	94	Very high	86.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.8	177.2	-60.4	-100.7	0	0	0	109.2	F30 L31 I90 T169 F171 A324 S372 I373	F30-F382 HydrophobicContact CD1-CD1 4.44Å; F30-F382 HydrophobicContact CE1-CB 4.08Å; F30-F382 AromaticContact CE1-CD1 3.48Å; F30-F382 HydrophobicContact CE1-CD1 3.48Å; F30-F382 VanDerWaalsContact CE1-CD1 3.48Å; F30-F382 HydrophobicContact CE1-CE1 4.23Å; F30-F382 HydrophobicContact CE1-CG 4.09Å; F30-F382 HydrophobicContact CE2-CB 3.83Å; F30-F382 HydrophobicContact CZ-CB 3.37Å; F30-F382 AromaticContact CZ-CD1 3.67Å; F30-F382 HydrophobicContact CZ-CD1 3.67Å; F30-F382 AromaticContact CZ-CG 3.78Å; F30-F382 HydrophobicContact CZ-CG 3.78Å; L31-F382 VanDerWaalsContact O-CA 3.31Å; L31-F382 WeakPolarHBondContact O-CA 3.49Å; I90-F382 HydrophobicContact CD1-CE2 4Å; I90-F382 HydrophobicContact CD1-CZ 4.45Å; I90-F382 HydrophobicContact CG1-CE2 4.47Å; T169-F382 WeakPolarHBondContact OG1-CE1 3.46Å; F171-F382 HydrophobicContact CB-CE1 4.39Å; F171-F382 HydrophobicContact CB-CE2 3.85Å; F171-F382 HydrophobicContact CB-CZ 3.77Å; F171-F382 HydrophobicContact CD2-CE2 4.02Å; F171-F382 HydrophobicContact CG-CE2 4.29Å; A324-F382 HydrophobicContact CB-CD1 4.12Å; A324-F382 HydrophobicContact CB-CE1 4.13Å; S372-F382 CarbonylContact C-O 3.54Å; S372-F382 WeakPolarHBondContact CA-O 3.45Å; S372-F382 WeakPolarHBondContact CB-O 3.42Å; S372-F382 PolarHBondContact OG-O 2.82Å; I373-F382 HydrophobicContact CB-CB 4.07Å; I373-F382 HydrophobicContact CB-CD2 4Å; I373-F382 HydrophobicContact CB-CG 4.47Å; I373-F382 HydrophobicContact CD1-CB 4.06Å; I373-F382 HydrophobicContact CD1-CD2 3.76Å; I373-F382 HydrophobicContact CD1-CE2 4.42Å; I373-F382 HydrophobicContact CD1-CG 4Å; I373-F382 HydrophobicContact CG1-CB 4.09Å; I373-F382 HydrophobicContact CG1-CD2 4.33Å; I373-F382 HydrophobicContact CG2-CD2 4.46Å; I373-F382 PolarHBondContact N-O 3Å
383	L	93.3	Very high	85.8	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	162.3	172.8	56.7	74	0	0	0	111.2	T11 Y15 L31 P33 I256 F370 I371 P380	T11-L383 HydrophobicContact CG2-CD2 3.51Å; Y15-L383 HydrophobicContact CD1-CD1 3.99Å; Y15-L383 HydrophobicContact CD2-CD1 3.09Å; Y15-L383 HydrophobicContact CD2-CG 4.49Å; Y15-L383 HydrophobicContact CE1-CD1 4.27Å; Y15-L383 HydrophobicContact CE2-CD1 3.43Å; Y15-L383 VanDerWaalsContact CE2-CD1 3.43Å; Y15-L383 HydrophobicContact CG-CD1 3.39Å; Y15-L383 HydrophobicContact CG-CD2 4.28Å; Y15-L383 HydrophobicContact CG-CG 4.5Å; L31-L383 HydrophobicContact CD1-CD1 3.63Å; L31-L383 HydrophobicContact CD1-CG 4.3Å; L31-L383 HydrophobicContact CG-CD1 4.23Å; L31-L383 PolarHBondContact N-O 3.41Å; L31-L383 PolarHBondContact O-N 2.97Å; P33-L383 HydrophobicContact CG-CD1 4.12Å; P33-L383 HydrophobicContact CG-CD2 3.76Å; P33-L383 HydrophobicContact CG-CG 3.68Å; I256-L383 HydrophobicContact CD1-CD2 4.5Å; F370-L383 HydrophobicContact CE2-CB 4.26Å; F370-L383 HydrophobicContact CZ-CB 3.89Å; I371-L383 CarbonylContact O-C 3.57Å; I371-L383 WeakPolarHBondContact O-CA 3.47Å; P380-L383 HydrophobicContact CB-CD2 4.42Å
384	G	92	Very high	85.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-172.8	-175.7	0	0	0	0	0	113.1	T29 F370 I371	T29-G384 CarbonylContact O-C 3.6Å; T29-G384 WeakPolarHBondContact O-CA 3.3Å; F370-G384 WeakPolarHBondContact CD2-O 3.3Å; F370-G384 VanDerWaalsContact CE2-O 3.3Å; F370-G384 WeakPolarHBondContact CE2-O 3.43Å; I371-G384 PolarHBondContact N-O 2.66Å; I371-G384 PolarHBondContact O-N 3.02Å; I371-G384 VanDerWaalsContact O-O 3.14Å
385	H	92.2	Very high	84.7	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.9	175.7	55	-91.5	0	0	0	110.3	Y15 W26 E27 T29 L243 L247 F369	Y15-H385 AromaticContact CZ-ND1 3.99Å; Y15-H385 PolarHBondContact OH-ND1 3.31Å; W26-H385 AromaticContact CE3-NE2 3.83Å; E27-H385 PolarHBondContact O-CD2 3.24Å; E27-H385 PolarHBondContact O-NE2 3.18Å; T29-H385 VanDerWaalsContact CB-CE1 3.41Å; T29-H385 WeakPolarHBondContact CB-CE1 3.47Å; T29-H385 PolarHBondContact N-O 2.72Å; T29-H385 PolarHBondContact O-N 3.46Å; T29-H385 PolarHBondContact OG1-CE1 3.41Å; T29-H385 VanDerWaalsContact OG1-CE1 3.24Å; T29-H385 PolarHBondContact OG1-NE2 2.85Å; L243-H385 HydrophobicContact CD1-CB 4.15Å; L243-H385 HydrophobicContact CD2-CB 4.05Å; L247-H385 HydrophobicContact CD1-CB 4.31Å; F369-H385 WeakPolarHBondContact O-CA 3.45Å
386	V	91.8	Very high	84.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119	-179.2	-178.3	0	0	0	0	107.9	N28 L278 P368 F369 I371 L389	N28-V386 WeakPolarHBondContact OD1-CA 3.37Å; L278-V386 HydrophobicContact CD1-CG2 4.31Å; L278-V386 HydrophobicContact CD2-CG2 3.96Å; P368-V386 CarbonylContact C-O 3.59Å; P368-V386 WeakPolarHBondContact CA-O 3.47Å; P368-V386 WeakPolarHBondContact CB-O 3.43Å; F369-V386 HydrophobicContact CD1-CB 4.16Å; F369-V386 HydrophobicContact CE1-CB 3.74Å; F369-V386 HydrophobicContact CE1-CG1 3.88Å; F369-V386 HydrophobicContact CE1-CG2 4.27Å; F369-V386 HydrophobicContact CE2-CB 4.17Å; F369-V386 HydrophobicContact CE2-CG2 3.92Å; F369-V386 HydrophobicContact CZ-CB 3.74Å; F369-V386 HydrophobicContact CZ-CG1 4.08Å; F369-V386 HydrophobicContact CZ-CG2 3.74Å; F369-V386 PolarHBondContact N-O 3.14Å; F369-V386 VanDerWaalsContact N-O 3.07Å; F369-V386 PolarHBondContact O-N 2.93Å; I371-V386 HydrophobicContact CG2-CG2 4.27Å; V386-L389 HydrophobicContact CG1-CD2 3.61Å; V386-L389 HydrophobicContact CG1-CG 4.32Å
387	T	90.5	Very high	83.6	Confident	12 Å²	12	36.1 Å²	36.1	7%	0.074	19%	0.193	C	C	.	.	S	Bend	trans	-106.9	-31	-178.5	60.8	0	0	0	0	111.9	W26 N28 L192 L243	W26-T387 HydrophobicContact CB-CG2 3.71Å; W26-T387 PolarHBondContact O-OG1 2.69Å; W26-T387 VanDerWaalsContact O-OG1 3.08Å; N28-T387 PolarHBondContact N-OG1 2.8Å; N28-T387 PolarHBondContact OD1-N 3.41Å; N28-T387 PolarHBondContact OD1-OG1 2.82Å; L192-T387 HydrophobicContact CD1-CG2 3.88Å; L243-T387 HydrophobicContact CD2-CG2 3.7Å
388	S	86.5	Confident	83.3	Confident	17 Å²	17	32.9 Å²	32.9	12%	0.119	18%	0.176	C	C	.	.			trans	-141	153.2	172.3	-172.7	0	0	0	0	110.3	N28 E191	N28-S388 PolarHBondContact ND2-O 3.28Å; N28-S388 PolarHBondContact OD1-N 3.08Å; N28-S388 VanDerWaalsContact OD1-N 3.15Å; N28-S388 PolarHBondContact OD1-O 2.88Å; E191-S388 WeakPolarHBondContact OE1-CB 3.49Å; E191-S388 PolarHBondContact OE1-OG 3.38Å
389	L	81.8	Confident	83	Confident	20 Å²	20	30.6 Å²	30.6	11%	0.105	16%	0.156	C	C	.	.			trans	-104.2	10.8	179.6	-68.7	174.4	0	0	0	112.8	F189 M197 V199 P274 F276 V386 N391	F189-L389 HydrophobicContact CB-CD1 4.31Å; F189-L389 HydrophobicContact CD1-CD1 4.32Å; F189-L389 HydrophobicContact CD1-CG 4.47Å; F189-L389 HydrophobicContact CD2-CD1 3.34Å; F189-L389 HydrophobicContact CD2-CG 4.18Å; F189-L389 HydrophobicContact CE1-CD1 4.49Å; F189-L389 HydrophobicContact CE1-CG 4.35Å; F189-L389 HydrophobicContact CE2-CD1 3.55Å; F189-L389 HydrophobicContact CE2-CG 4.06Å; F189-L389 HydrophobicContact CG-CD1 3.76Å; F189-L389 HydrophobicContact CG-CG 4.38Å; F189-L389 HydrophobicContact CZ-CD1 4.13Å; F189-L389 HydrophobicContact CZ-CG 4.13Å; M197-L389 HydrophobicContact CE-CB 3.94Å; M197-L389 HydrophobicContact SD-CB 3.94Å; M197-L389 PolarHBondContact SD-N 2.84Å; V199-L389 HydrophobicContact CB-CD1 4.22Å; V199-L389 HydrophobicContact CG1-CB 3.94Å; V199-L389 HydrophobicContact CG1-CD1 3.76Å; V199-L389 HydrophobicContact CG2-CD1 4.26Å; P274-L389 HydrophobicContact CB-CD1 3.47Å; P274-L389 VanDerWaalsContact CB-CD1 3.47Å; P274-L389 HydrophobicContact CG-CD1 3.75Å; P274-L389 HydrophobicContact CG-CD2 4.47Å; F276-L389 HydrophobicContact CB-CD2 3.7Å; F276-L389 HydrophobicContact CD1-CD2 4.36Å; F276-L389 HydrophobicContact CG-CD2 4.14Å; V386-L389 HydrophobicContact CG1-CD2 3.61Å; V386-L389 HydrophobicContact CG1-CG 4.32Å; L389-N391 PolarHBondContact O-N 3.16Å
390	L	68.8	Low	82.3	Confident	80 Å²	80	32.8 Å²	32.8	42%	0.419	17%	0.168	S	C	.	.			trans	-67.7	121.6	172.2	-68.5	169.1	0	0	0	108.5	M197 H392	M197-L390 HydrophobicContact CE-CB 4.46Å; M197-L390 HydrophobicContact CE-CD2 3.61Å; M197-L390 HydrophobicContact CE-CG 3.61Å; M197-L390 HydrophobicContact SD-CG 4.29Å; L390-H392 VanDerWaalsContact C-N 3.32Å; L390-H392 WeakPolarHBondContact CD1-NE2 3.39Å; L390-H392 PolarHBondContact O-N 3.15Å; L390-H392 VanDerWaalsContact O-N 3.07Å
391	N	51.4	Low	81.4	Confident	116 Å²	116	35.5 Å²	35.5	62%	0.62	18%	0.181	S	C	*	.			trans	-70.3	95.9	162.4	-59.8	-33.5	0	0	0	105.7	L389	L389-N391 PolarHBondContact O-N 3.16Å
392	H	39.7	Very low	80.2	Confident	177 Å²	177	38.7 Å²	38.7	82%	0.819	20%	0.198	S	C	*	.			trans	-96.9	0	173.7	-82.4	-49.1	0	0	0	110.5	E280 L390	E280-H392 WeakPolarHBondContact CB-O 3.44Å; E280-H392 VanDerWaalsContact CD-C 3.41Å; E280-H392 WeakPolarHBondContact CG-O 2.93Å; L390-H392 VanDerWaalsContact C-N 3.32Å; L390-H392 WeakPolarHBondContact CD1-NE2 3.39Å; L390-H392 PolarHBondContact O-N 3.15Å; L390-H392 VanDerWaalsContact O-N 3.07Å

Retrieved 392 of 392 residues in 156.6 ms (Link to these results)

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