A0A2K5NN05_CERAT Loading...

2-hydroxyacylsphingosine 1-beta-galactosyltransferase

Catalyzes the transfer of galactose to ceramide, a key enzymatic step in the biosynthesis of galactocerebrosides, which are abundant sphingolipids of the myelin membrane of the central nervous system and peripheral nervous system. Galactosylates both hydroxy- and non-hydroxy fatty acid-containing ceramides and diglycerides.

AlphaFold DB , UniProt , Accession A0A2K5NN05, Species CERAT (Cercocebus atys, Sooty mangabey), Gene UGT8, Length 541 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.3	Low	60.9	Low	241 Å²	241	133.5 Å²	133.5	100%	1.187	65%	0.653	S	S	*	*				0	113.9	0	-76.1	159.4	66.5	0	0	108.2	S3	M1-S3 PolarHBondContact O-N 2.78Å
2	K	52.7	Low	60.1	Low	181 Å²	181	138.7 Å²	138.7	79%	0.787	66%	0.661	S	S	*	*			trans	-72	122.8	176.4	-74.7	-177.7	178.1	179.6	0	108.2	Y4	K2-Y4 VanDerWaalsContact O-CD2 3.24Å; K2-Y4 WeakPolarHBondContact O-CD2 3.34Å; K2-Y4 WeakPolarHBondContact O-CE2 3.49Å; K2-Y4 PolarHBondContact O-N 3.43Å
3	S	61.5	Low	59.6	Low	82 Å²	82	134.8 Å²	134.8	57%	0.573	66%	0.657	S	S	*	*			trans	-73.3	108.8	-179.1	-176.4	0	0	0	0	109.3	M1 T5 P6	M1-S3 PolarHBondContact O-N 2.78Å; S3-T5 PolarHBondContact OG-OG1 3.34Å; S3-P6 WeakPolarHBondContact O-CD 3.31Å
4	Y	69.9	Low	59.1	Low	151 Å²	151	131.1 Å²	131.1	59%	0.592	66%	0.659	S	S	*	*			trans	-83.7	1.4	177.2	-65	-77.5	0	0	0	113	K2 P6 Y7 F8	K2-Y4 VanDerWaalsContact O-CD2 3.24Å; K2-Y4 WeakPolarHBondContact O-CD2 3.34Å; K2-Y4 WeakPolarHBondContact O-CE2 3.49Å; K2-Y4 PolarHBondContact O-N 3.43Å; Y4-P6 VanDerWaalsContact C-CD 3.47Å; Y4-Y7 HydrophobicContact CD1-CD2 4.43Å; Y4-Y7 PolarHBondContact O-N 2.95Å; Y4-Y7 VanDerWaalsContact O-N 3.1Å; Y4-F8 PolarHBondContact O-N 2.89Å; Y4-F8 VanDerWaalsContact O-N 3.1Å
5	T	69.8	Low	58.6	Low	81 Å²	81	128.3 Å²	128.3	50%	0.497	65%	0.652	S	S	.	*	H	α-helix	trans	-53.6	-42	-179.1	-35.7	0	0	0	0	114.9	S3 Y7 F8 M9	S3-T5 PolarHBondContact OG-OG1 3.34Å; T5-Y7 VanDerWaalsContact C-N 3.33Å; T5-Y7 PolarHBondContact O-N 3.38Å; T5-F8 PolarHBondContact O-N 3.12Å; T5-M9 PolarHBondContact O-N 3.31Å
6	P	68.6	Low	58.3	Low	70 Å²	70	123.6 Å²	123.6	46%	0.455	65%	0.645	S	S	.	*	H	α-helix	trans	-68.5	-31.4	177.7	24.7	-32	0	0	0	112.7	S3 Y4 M9 L10	S3-P6 WeakPolarHBondContact O-CD 3.31Å; Y4-P6 VanDerWaalsContact C-CD 3.47Å; P6-M9 PolarHBondContact O-N 3.5Å; P6-L10 WeakPolarHBondContact O-CB 3.41Å; P6-L10 PolarHBondContact O-N 3.47Å
7	Y	67.7	Low	58.1	Low	160 Å²	160	124.8 Å²	124.8	63%	0.627	65%	0.65	S	S	*	*	H	α-helix	trans	-71	-36.5	175.6	-63.9	-79.9	0	0	0	111.8	Y4 T5 L10 L11	Y4-Y7 HydrophobicContact CD1-CD2 4.43Å; Y4-Y7 PolarHBondContact O-N 2.95Å; Y4-Y7 VanDerWaalsContact O-N 3.1Å; T5-Y7 VanDerWaalsContact C-N 3.33Å; T5-Y7 PolarHBondContact O-N 3.38Å; Y7-L10 PolarHBondContact O-N 3.41Å; Y7-L11 WeakPolarHBondContact O-CB 3.39Å; Y7-L11 PolarHBondContact O-N 3.23Å
8	F	60.5	Low	58	Low	145 Å²	145	123.5 Å²	123.5	64%	0.636	65%	0.648	S	S	*	*	H	α-helix	trans	-67	-39.2	173	-94.3	-82.6	0	0	0	112.7	Y4 T5 L11 W12	Y4-F8 PolarHBondContact O-N 2.89Å; Y4-F8 VanDerWaalsContact O-N 3.1Å; T5-F8 PolarHBondContact O-N 3.12Å; F8-L11 PolarHBondContact O-N 3.28Å; F8-W12 WeakPolarHBondContact O-CB 3.31Å; F8-W12 PolarHBondContact O-N 2.89Å
9	M	58.6	Low	58.8	Low	132 Å²	132	123.8 Å²	123.8	65%	0.65	64%	0.644	S	S	*	*	H	α-helix	trans	-66.8	-39.2	173.9	-77.2	-174.8	172.3	0	0	112.3	T5 P6 W12 S13	T5-M9 PolarHBondContact O-N 3.31Å; P6-M9 PolarHBondContact O-N 3.5Å; M9-W12 PolarHBondContact O-N 3.48Å; M9-S13 PolarHBondContact O-N 3.48Å; M9-S13 PolarHBondContact O-OG 2.89Å
10	L	56.4	Low	60.4	Low	115 Å²	115	120.9 Å²	120.9	60%	0.602	64%	0.639	S	S	*	*	H	α-helix	trans	-64.8	-41.9	173.7	-100	145.9	0	0	0	112	P6 Y7 S13 A14	P6-L10 WeakPolarHBondContact O-CB 3.41Å; P6-L10 PolarHBondContact O-N 3.47Å; Y7-L10 PolarHBondContact O-N 3.41Å; L10-S13 WeakPolarHBondContact CA-OG 3.49Å; L10-S13 PolarHBondContact O-N 3.38Å; L10-S13 PolarHBondContact O-OG 2.9Å; L10-A14 WeakPolarHBondContact O-CB 3.32Å; L10-A14 PolarHBondContact O-N 3.42Å
11	L	54	Low	62.1	Low	111 Å²	111	115.3 Å²	115.3	58%	0.581	61%	0.61	S	S	*	*	H	α-helix	trans	-63.4	-40.1	172	-109.5	126.6	0	0	0	112.2	Y7 F8 S13 A14 V15	Y7-L11 WeakPolarHBondContact O-CB 3.39Å; Y7-L11 PolarHBondContact O-N 3.23Å; F8-L11 PolarHBondContact O-N 3.28Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-A14 PolarHBondContact O-N 3.33Å; L11-V15 WeakPolarHBondContact O-CB 3.19Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.09Å
12	W	51.9	Low	64.3	Low	195 Å²	195	106 Å²	106	74%	0.739	56%	0.563	S	S	*	*	H	α-helix	trans	-66.7	-32.1	174.1	-100.2	17.7	0	0	0	113.6	F8 M9 V15	F8-W12 WeakPolarHBondContact O-CB 3.31Å; F8-W12 PolarHBondContact O-N 2.89Å; M9-W12 PolarHBondContact O-N 3.48Å; W12-V15 VanDerWaalsContact O-O 3.08Å
13	S	53	Low	66.5	Low	88 Å²	88	97.4 Å²	97.4	62%	0.615	53%	0.525	S	S	*	.	H	α-helix	trans	-77.4	-26.2	172.8	62.1	0	0	0	0	113.3	M9 L10 L11	M9-S13 PolarHBondContact O-N 3.48Å; M9-S13 PolarHBondContact O-OG 2.89Å; L10-S13 WeakPolarHBondContact CA-OG 3.49Å; L10-S13 PolarHBondContact O-N 3.38Å; L10-S13 PolarHBondContact O-OG 2.9Å; L11-S13 VanDerWaalsContact C-N 3.35Å
14	A	52.3	Low	68.2	Low	83 Å²	83	93.5 Å²	93.5	69%	0.686	50%	0.498	S	S	*	.	H	α-helix	trans	-82.4	-31.3	177	0	0	0	0	0	112.5	L10 L11 G16	L10-A14 WeakPolarHBondContact O-CB 3.32Å; L10-A14 PolarHBondContact O-N 3.42Å; L11-A14 PolarHBondContact O-N 3.33Å; A14-G16 PolarHBondContact O-N 3.02Å
15	V	52.3	Low	69.5	Low	90 Å²	90	86.3 Å²	86.3	55%	0.545	47%	0.47	S	S	.	.	S	Bend	trans	-87.6	82.9	170.1	-176.1	0	0	0	0	107.3	L11 W12 I17	L11-V15 WeakPolarHBondContact O-CB 3.19Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.09Å; W12-V15 VanDerWaalsContact O-O 3.08Å; V15-I17 PolarHBondContact O-N 3.16Å
16	G	52.8	Low	70.7	Confident	53 Å²	53	82.6 Å²	82.6	55%	0.546	45%	0.447	S	S	.	.			trans	-49.9	116.3	169.8	0	0	0	0	0	108.9	A14 V18	A14-G16 PolarHBondContact O-N 3.02Å; G16-V18 PolarHBondContact O-N 2.65Å
17	I	54.8	Low	71.8	Confident	143 Å²	143	79.4 Å²	79.4	73%	0.733	43%	0.427	S	S	*	.			trans	-67.7	90.7	177	-60.5	170.4	0	0	0	106.5	V15 K19	V15-I17 PolarHBondContact O-N 3.16Å; I17-K19 PolarHBondContact O-N 2.92Å; I17-K19 VanDerWaalsContact O-N 3.17Å
18	V	57.3	Low	72.9	Confident	102 Å²	102	71.8 Å²	71.8	62%	0.618	40%	0.397	S	S	*	.			trans	-72.7	108.5	171.2	-177	0	0	0	0	106.1	G16 A20 R48	G16-V18 PolarHBondContact O-N 2.65Å; V18-A20 PolarHBondContact O-N 2.96Å; V18-R48 VanDerWaalsContact CG1-O 3.27Å; V18-R48 WeakPolarHBondContact CG1-O 3.13Å
19	K	72.8	Confident	74.4	Confident	129 Å²	129	65.5 Å²	65.5	56%	0.561	37%	0.369	S	S	*	.			trans	-71.3	95.3	176	-168.3	179	-179.5	-174.1	0	108.2	I17 A21 H50 I452	I17-K19 PolarHBondContact O-N 2.92Å; I17-K19 VanDerWaalsContact O-N 3.17Å; K19-A21 PolarHBondContact O-N 2.85Å; K19-H50 PolarHBondContact O-CE1 3.49Å; K19-H50 VanDerWaalsContact O-CE1 3.27Å; K19-I452 HydrophobicContact CD-CG2 4.26Å
20	A	90.6	Very high	75.9	Confident	66 Å²	66	59.4 Å²	59.4	55%	0.545	34%	0.339	S	S	.	.			trans	-55.6	126.1	169	0	0	0	0	0	108.7	V18 G49	V18-A20 PolarHBondContact O-N 2.96Å; A20-G49 WeakPolarHBondContact CB-O 3.49Å
21	A	95.9	Very high	77.4	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.033	32%	0.317	C	S	.	.			trans	-123	145.3	-177.3	0	0	0	0	0	109.7	K19 I23 H50 H51 D133 I452	K19-A21 PolarHBondContact O-N 2.85Å; A21-I23 HydrophobicContact CB-CG1 4.38Å; A21-H50 VanDerWaalsContact CB-ND1 3.33Å; A21-H50 WeakPolarHBondContact CB-ND1 3.31Å; A21-H50 PolarHBondContact N-ND1 3.43Å; A21-H50 WeakPolarHBondContact O-CA 3.4Å; A21-H50 WeakPolarHBondContact O-CB 3.47Å; A21-H51 PolarHBondContact O-N 3.04Å; A21-D133 VanDerWaalsContact CA-OD2 3.32Å; A21-D133 WeakPolarHBondContact CA-OD2 3.45Å; A21-D133 HydrophobicContact CB-CB 4.01Å; A21-I452 HydrophobicContact CB-CD1 3.6Å; A21-I452 HydrophobicContact CB-CG1 4.25Å; A21-I452 HydrophobicContact CB-CG2 4.19Å
22	K	97.3	Very high	79	Confident	45 Å²	45	52.8 Å²	52.8	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.7	176	-162.8	178.5	-177.9	171.5	0	109.4	H51 E130 F132 D133	K22-H51 CarbonylContact C-O 3.4Å; K22-H51 WeakPolarHBondContact CA-O 3.47Å; K22-H51 HydrophobicContact CG-CB 4.45Å; K22-E130 WeakPolarHBondContact CD-O 3.46Å; K22-E130 VanDerWaalsContact CE-OE2 3.24Å; K22-E130 WeakPolarHBondContact CE-OE2 3.3Å; K22-E130 PolarHBondContact NZ-O 3.26Å; K22-E130 IonicContact NZ-OE2 3.01Å; K22-E130 PolarHBondContact NZ-OE2 2.93Å; K22-F132 HydrophobicContact CB-CD1 4.4Å; K22-F132 HydrophobicContact CD-CD1 4.08Å; K22-F132 HydrophobicContact CD-CE1 4.14Å; K22-F132 HydrophobicContact CG-CD1 3.76Å; K22-F132 HydrophobicContact CG-CE1 4Å; K22-D133 PolarHBondContact N-OD2 3Å; K22-D133 PolarHBondContact O-N 2.93Å
23	I	98.2	Very high	80.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.9	-170.3	-56	169.7	0	0	0	108.6	A21 I25 L45 H50 H51 T52 V53 L134 L136 I448 I452	A21-I23 HydrophobicContact CB-CG1 4.38Å; I23-I25 HydrophobicContact CG2-CG1 4.35Å; I23-L45 HydrophobicContact CD1-CD1 3.88Å; I23-L45 HydrophobicContact CD1-CD2 3.7Å; I23-L45 HydrophobicContact CD1-CG 4.38Å; I23-H50 HydrophobicContact CD1-CB 4.06Å; I23-H51 PolarHBondContact N-O 3.41Å; I23-T52 CarbonylContact O-C 3.28Å; I23-T52 WeakPolarHBondContact O-CA 3.32Å; I23-V53 PolarHBondContact O-N 3.39Å; I23-L134 WeakPolarHBondContact CA-O 3.49Å; I23-L134 HydrophobicContact CG1-CB 4.32Å; I23-L134 HydrophobicContact CG2-CB 4.47Å; I23-L136 HydrophobicContact CG2-CD1 4.36Å; I23-L136 HydrophobicContact CG2-CG 4.02Å; I23-I448 HydrophobicContact CD1-CG2 3.8Å; I23-I452 HydrophobicContact CD1-CD1 4.22Å
24	I	98	Very high	82.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.4	173	-176.8	169.4	0	0	0	110.2	V53 L55 L127 F132 L134 L135 L136	I24-V53 CarbonylContact C-O 3.58Å; I24-V53 WeakPolarHBondContact CA-O 3.39Å; I24-L55 HydrophobicContact CD1-CB 4.3Å; I24-L127 HydrophobicContact CD1-CD2 3.61Å; I24-F132 HydrophobicContact CB-CD1 3.62Å; I24-F132 HydrophobicContact CB-CD2 4.24Å; I24-F132 HydrophobicContact CB-CE1 3.74Å; I24-F132 HydrophobicContact CB-CE2 4.31Å; I24-F132 HydrophobicContact CB-CG 3.9Å; I24-F132 HydrophobicContact CB-CZ 4.08Å; I24-F132 HydrophobicContact CD1-CD2 4.35Å; I24-F132 HydrophobicContact CD1-CE1 4.42Å; I24-F132 HydrophobicContact CD1-CE2 3.85Å; I24-F132 HydrophobicContact CD1-CZ 3.9Å; I24-F132 HydrophobicContact CG1-CE1 4.46Å; I24-F132 HydrophobicContact CG1-CZ 4.41Å; I24-F132 HydrophobicContact CG2-CB 3.98Å; I24-F132 HydrophobicContact CG2-CD1 3.92Å; I24-F132 HydrophobicContact CG2-CD2 3.99Å; I24-F132 HydrophobicContact CG2-CE1 4.44Å; I24-F132 HydrophobicContact CG2-CE2 4.48Å; I24-F132 HydrophobicContact CG2-CG 3.68Å; I24-L134 PolarHBondContact N-O 2.93Å; I24-L135 HydrophobicContact CG2-CB 3.74Å; I24-L135 HydrophobicContact CG2-CD1 3.71Å; I24-L135 HydrophobicContact CG2-CG 3.7Å; I24-L135 CarbonylContact O-C 3.51Å; I24-L135 VanDerWaalsContact O-CA 3.26Å; I24-L135 WeakPolarHBondContact O-CA 3.37Å; I24-L136 PolarHBondContact O-N 3.49Å
25	I	97	Very high	84.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.1	179.4	-55.8	-177.9	0	0	0	108	I23 P27 F38 T52 V53 F54 L55 L136	I23-I25 HydrophobicContact CG2-CG1 4.35Å; I25-P27 VanDerWaalsContact O-CD 3.26Å; I25-P27 WeakPolarHBondContact O-CD 3.29Å; I25-F38 HydrophobicContact CD1-CD1 4.16Å; I25-F38 HydrophobicContact CG2-CB 4.31Å; I25-F38 HydrophobicContact CG2-CD1 3.48Å; I25-F38 VanDerWaalsContact CG2-CD1 3.48Å; I25-F38 HydrophobicContact CG2-CD2 4.22Å; I25-F38 HydrophobicContact CG2-CE1 3.72Å; I25-F38 HydrophobicContact CG2-CE2 4.42Å; I25-F38 HydrophobicContact CG2-CG 3.76Å; I25-F38 HydrophobicContact CG2-CZ 4.19Å; I25-T52 HydrophobicContact CD1-CG2 3.47Å; I25-T52 VanDerWaalsContact CD1-CG2 3.47Å; I25-T52 HydrophobicContact CG1-CG2 3.96Å; I25-V53 PolarHBondContact N-O 2.91Å; I25-F54 HydrophobicContact CB-CD1 3.73Å; I25-F54 HydrophobicContact CB-CE1 3.81Å; I25-F54 HydrophobicContact CD1-CD1 4.45Å; I25-F54 HydrophobicContact CD1-CE1 3.71Å; I25-F54 HydrophobicContact CD1-CZ 4.48Å; I25-F54 HydrophobicContact CG1-CE1 4.24Å; I25-F54 HydrophobicContact CG2-CD1 4.05Å; I25-F54 HydrophobicContact CG2-CE1 3.92Å; I25-L55 PolarHBondContact O-N 3.03Å; I25-L136 HydrophobicContact CD1-CD1 3.9Å; I25-L136 HydrophobicContact CG1-CB 4.11Å; I25-L136 HydrophobicContact CG1-CD1 4.06Å; I25-L136 HydrophobicContact CG1-CG 4.26Å
26	V	94.3	Very high	86.5	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	88.9	175.6	-171.9	0	0	0	0	108.1	L55 L135 L136	V26-L55 HydrophobicContact CG2-CB 4.3Å; V26-L55 HydrophobicContact CG2-CD2 4.1Å; V26-L135 HydrophobicContact CG2-CD1 4.21Å; V26-L135 HydrophobicContact CG2-CD2 4.45Å; V26-L136 PolarHBondContact N-O 3.01Å
27	P	92.3	Very high	88.5	Confident	4 Å²	4	36.7 Å²	36.7	3%	0.026	19%	0.191	C	C	.	.			trans	-81	152.7	-177.6	31.5	-32.2	0	0	0	111.5	I25 M35 F38 L56	I25-P27 VanDerWaalsContact O-CD 3.26Å; I25-P27 WeakPolarHBondContact O-CD 3.29Å; P27-M35 HydrophobicContact CB-CE 3.88Å; P27-M35 HydrophobicContact CG-CE 3.47Å; P27-M35 VanDerWaalsContact CG-CE 3.47Å; P27-F38 HydrophobicContact CB-CD2 3.72Å; P27-F38 HydrophobicContact CB-CE2 4Å; P27-L56 HydrophobicContact CG-CD2 3.39Å
28	P	91.6	Very high	90.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.			trans	-58.1	142.8	175.7	-26.7	36.8	0	0	0	112.5	M30 R60 Y110 D138 N140 D141	P28-M30 PolarHBondContact O-N 3.19Å; P28-R60 PolarHBondContact O-NH1 2.94Å; P28-Y110 HydrophobicContact CB-CE1 4.29Å; P28-D138 WeakPolarHBondContact CD-OD2 3.38Å; P28-D138 HydrophobicContact CG-CB 3.88Å; P28-D138 VanDerWaalsContact CG-CG 3.48Å; P28-D138 WeakPolarHBondContact CG-OD2 3.38Å; P28-N140 HydrophobicContact CG-CB 4.44Å; P28-D141 HydrophobicContact CB-CB 4.27Å; P28-D141 HydrophobicContact CG-CB 4.24Å
29	I	91.1	Very high	92.2	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.062	14%	0.137	C	C	.	.	S	Bend	trans	-78.8	-8.7	-166.7	66.5	-172.7	0	0	0	116.2	I76 F77 Y110 N113	I29-I76 HydrophobicContact CD1-CD1 3.62Å; I29-I76 HydrophobicContact CD1-CG1 3.82Å; I29-F77 HydrophobicContact CD1-CD2 4.05Å; I29-F77 HydrophobicContact CG1-CD2 4.25Å; I29-Y110 HydrophobicContact CD1-CD1 3.91Å; I29-Y110 HydrophobicContact CD1-CE1 4.4Å; I29-Y110 HydrophobicContact CG1-CD1 3.78Å; I29-Y110 HydrophobicContact CG1-CE1 3.78Å; I29-N113 HydrophobicContact CD1-CB 3.48Å; I29-N113 VanDerWaalsContact CD1-CB 3.48Å; I29-N113 WeakPolarHBondContact CG2-ND2 3.39Å
30	M	89.6	Confident	93.4	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.02	13%	0.125	C	C	.	.	S	Bend	trans	-115.8	-32.6	-170	-53.9	-175.5	-159.5	0	0	115	P28 F77 F85 L86 I106 H109 Y110	P28-M30 PolarHBondContact O-N 3.19Å; M30-F77 HydrophobicContact CE-CD2 4.36Å; M30-F77 HydrophobicContact CE-CE2 3.65Å; M30-F77 HydrophobicContact CG-CD2 4.17Å; M30-F77 HydrophobicContact CG-CE2 4.19Å; M30-F77 HydrophobicContact SD-CE2 4.18Å; M30-F85 HydrophobicContact CE-CD1 4.44Å; M30-F85 HydrophobicContact CE-CE1 3.96Å; M30-F85 HydrophobicContact SD-CD1 3.77Å; M30-F85 HydrophobicContact SD-CE1 3.66Å; M30-L86 HydrophobicContact CB-CD1 4.17Å; M30-L86 HydrophobicContact CB-CD2 4.32Å; M30-L86 HydrophobicContact CB-CG 4.37Å; M30-L86 WeakPolarHBondContact O-CD1 3.45Å; M30-L86 HydrophobicContact SD-CD2 4.24Å; M30-I106 HydrophobicContact CE-CG2 4.07Å; M30-I106 HydrophobicContact SD-CG1 4.43Å; M30-I106 HydrophobicContact SD-CG2 3.99Å; M30-H109 HydrophobicContact CE-CB 3.43Å; M30-H109 VanDerWaalsContact CE-CB 3.43Å; M30-Y110 HydrophobicContact CE-CD1 4Å; M30-Y110 HydrophobicContact CE-CE1 3.82Å; M30-Y110 HydrophobicContact CG-CE1 4.06Å; M30-Y110 HydrophobicContact SD-CE1 4.32Å
31	F	88.4	Confident	93.7	Very high	29 Å²	29	20.5 Å²	20.5	13%	0.127	10%	0.099	C	C	.	.			trans	-103.2	115.1	-167.5	-63.2	-71.2	0	0	0	111.8	S33 H34 R60 L86 I106 Y110 F380	F31-S33 VanDerWaalsContact C-N 3.29Å; F31-S33 PolarHBondContact O-N 3.36Å; F31-H34 VanDerWaalsContact CB-CD2 3.47Å; F31-H34 WeakPolarHBondContact CB-CD2 3.23Å; F31-H34 PolarHBondContact O-N 3.44Å; F31-R60 PolarHBondContact O-NH2 3.2Å; F31-L86 HydrophobicContact CD1-CD1 3.78Å; F31-L86 HydrophobicContact CD1-CD2 4.4Å; F31-L86 HydrophobicContact CE1-CD1 3.73Å; F31-L86 HydrophobicContact CE1-CD2 3.57Å; F31-L86 HydrophobicContact CE1-CG 4.32Å; F31-L86 HydrophobicContact CZ-CD2 3.69Å; F31-I106 HydrophobicContact CE2-CG2 4.49Å; F31-I106 HydrophobicContact CZ-CD1 4.42Å; F31-Y110 WeakPolarHBondContact CD2-OH 3.22Å; F31-Y110 VanDerWaalsContact CE2-OH 3.22Å; F31-Y110 WeakPolarHBondContact CE2-OH 3.25Å; F31-F380 HydrophobicContact CE1-CE2 4.27Å; F31-F380 HydrophobicContact CZ-CE2 4.48Å
32	E	87.9	Confident	93.7	Very high	58 Å²	58	20.3 Å²	20.3	27%	0.271	10%	0.098	S	C	.	.	H	α-helix	trans	-66.8	-28.1	178.2	-72.9	-55.1	110.7	0	0	113.4	H34 M35 Y36 R60	E32-H34 PolarHBondContact O-N 3.38Å; E32-M35 WeakPolarHBondContact O-CB 3.07Å; E32-M35 PolarHBondContact O-N 3.46Å; E32-M35 VanDerWaalsContact O-N 3.07Å; E32-Y36 WeakPolarHBondContact O-CD2 3.42Å; E32-Y36 PolarHBondContact O-N 3.46Å; E32-R60 IonicContact OE1-CZ 2.83Å; E32-R60 IonicContact OE1-NE 2.82Å; E32-R60 PolarHBondContact OE1-NE 3.3Å; E32-R60 VanDerWaalsContact OE1-NE 3.1Å; E32-R60 IonicContact OE1-NH2 2.71Å; E32-R60 PolarHBondContact OE1-NH2 3.37Å
33	S	89.1	Confident	93.7	Very high	38 Å²	38	19.7 Å²	19.7	27%	0.266	10%	0.099	S	C	.	.	H	α-helix	trans	-59.1	-35.6	174.3	47.3	0	0	0	0	112.9	F31 M35 Y36	F31-S33 VanDerWaalsContact C-N 3.29Å; F31-S33 PolarHBondContact O-N 3.36Å; S33-M35 VanDerWaalsContact C-N 3.35Å; S33-Y36 PolarHBondContact O-N 3.22Å
34	H	91.9	Very high	93.7	Very high	24 Å²	24	20.1 Å²	20.1	11%	0.111	10%	0.103	C	C	.	.	H	α-helix	trans	-70.3	-37.2	176.9	-66.1	-133	0	0	0	110.3	F31 E32 Y36 I37 F38 D138 T160	F31-H34 VanDerWaalsContact CB-CD2 3.47Å; F31-H34 WeakPolarHBondContact CB-CD2 3.23Å; F31-H34 PolarHBondContact O-N 3.44Å; E32-H34 PolarHBondContact O-N 3.38Å; H34-Y36 PolarHBondContact O-N 3.13Å; H34-I37 WeakPolarHBondContact O-CB 3.46Å; H34-I37 PolarHBondContact O-N 3.47Å; H34-F38 VanDerWaalsContact O-CD2 3.27Å; H34-F38 WeakPolarHBondContact O-CD2 3.26Å; H34-F38 PolarHBondContact O-N 3.09Å; H34-D138 IonicContact ND1-OD2 3.72Å; H34-D138 PolarHBondContact ND1-OD2 2.98Å; H34-T160 HydrophobicContact CB-CG2 4.34Å; H34-T160 PolarHBondContact CE1-OG1 3.24Å; H34-T160 WeakPolarHBondContact ND1-CB 3.25Å; H34-T160 PolarHBondContact ND1-OG1 2.99Å
35	M	92	Very high	93.6	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-40.9	176.2	-171.9	55.3	64.5	0	0	111.9	P27 E32 S33 I37 F38 K39 L56 I62	P27-M35 HydrophobicContact CB-CE 3.88Å; P27-M35 HydrophobicContact CG-CE 3.47Å; P27-M35 VanDerWaalsContact CG-CE 3.47Å; E32-M35 WeakPolarHBondContact O-CB 3.07Å; E32-M35 PolarHBondContact O-N 3.46Å; E32-M35 VanDerWaalsContact O-N 3.07Å; S33-M35 VanDerWaalsContact C-N 3.35Å; M35-I37 VanDerWaalsContact C-N 3.29Å; M35-I37 PolarHBondContact O-N 2.91Å; M35-F38 PolarHBondContact O-N 2.88Å; M35-K39 HydrophobicContact CG-CD 3.98Å; M35-K39 HydrophobicContact CG-CG 4.15Å; M35-K39 WeakPolarHBondContact O-CB 3.34Å; M35-K39 VanDerWaalsContact O-CG 3.3Å; M35-K39 WeakPolarHBondContact O-CG 3.27Å; M35-K39 PolarHBondContact O-N 3.42Å; M35-K39 HydrophobicContact SD-CG 4.19Å; M35-L56 HydrophobicContact CE-CD1 4.42Å; M35-L56 HydrophobicContact CE-CD2 3.57Å; M35-I62 HydrophobicContact CG-CD1 4.17Å; M35-I62 HydrophobicContact SD-CD1 3.79Å
36	Y	92.7	Very high	93.6	Very high	108 Å²	108	23.8 Å²	23.8	42%	0.424	12%	0.119	S	C	.	.	H	α-helix	trans	-59.8	-38.8	177.4	-67.1	-46.6	0	0	0	113	E32 S33 H34 T40	E32-Y36 WeakPolarHBondContact O-CD2 3.42Å; E32-Y36 PolarHBondContact O-N 3.46Å; S33-Y36 PolarHBondContact O-N 3.22Å; H34-Y36 PolarHBondContact O-N 3.13Å; Y36-T40 WeakPolarHBondContact O-CB 3.32Å; Y36-T40 PolarHBondContact O-N 3.44Å; Y36-T40 PolarHBondContact O-OG1 3.36Å
37	I	94.9	Very high	93.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-55.2	174.8	-64.9	173.3	0	0	0	109.5	H34 M35 K39 T40 L41 F158 T160 I264 L265	H34-I37 WeakPolarHBondContact O-CB 3.46Å; H34-I37 PolarHBondContact O-N 3.47Å; M35-I37 VanDerWaalsContact C-N 3.29Å; M35-I37 PolarHBondContact O-N 2.91Å; I37-K39 VanDerWaalsContact C-N 3.33Å; I37-K39 PolarHBondContact O-N 3.09Å; I37-T40 WeakPolarHBondContact O-CB 3.37Å; I37-T40 PolarHBondContact O-N 3.33Å; I37-T40 VanDerWaalsContact O-N 3.11Å; I37-L41 HydrophobicContact CG2-CD1 4.28Å; I37-L41 WeakPolarHBondContact O-CG 3.28Å; I37-L41 PolarHBondContact O-N 3.18Å; I37-F158 HydrophobicContact CG2-CD1 4.36Å; I37-F158 HydrophobicContact CG2-CE1 3.48Å; I37-F158 VanDerWaalsContact CG2-CE1 3.48Å; I37-F158 HydrophobicContact CG2-CZ 3.83Å; I37-T160 HydrophobicContact CD1-CG2 3.95Å; I37-T160 HydrophobicContact CG2-CG2 4.47Å; I37-I264 HydrophobicContact CG2-CB 4.18Å; I37-I264 HydrophobicContact CG2-CG1 4.17Å; I37-I264 HydrophobicContact CG2-CG2 3.94Å; I37-L265 HydrophobicContact CG1-CD1 4.15Å; I37-L265 HydrophobicContact CG1-CD2 4.44Å; I37-L265 HydrophobicContact CG1-CG 4.17Å
38	F	95.7	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-35.1	-176.7	-74.3	-58.8	0	0	0	113.1	I25 P27 H34 M35 L41 A42 F54 D138 F158 T160	I25-F38 HydrophobicContact CD1-CD1 4.16Å; I25-F38 HydrophobicContact CG2-CB 4.31Å; I25-F38 HydrophobicContact CG2-CD1 3.48Å; I25-F38 VanDerWaalsContact CG2-CD1 3.48Å; I25-F38 HydrophobicContact CG2-CD2 4.22Å; I25-F38 HydrophobicContact CG2-CE1 3.72Å; I25-F38 HydrophobicContact CG2-CE2 4.42Å; I25-F38 HydrophobicContact CG2-CG 3.76Å; I25-F38 HydrophobicContact CG2-CZ 4.19Å; P27-F38 HydrophobicContact CB-CD2 3.72Å; P27-F38 HydrophobicContact CB-CE2 4Å; H34-F38 VanDerWaalsContact O-CD2 3.27Å; H34-F38 WeakPolarHBondContact O-CD2 3.26Å; H34-F38 PolarHBondContact O-N 3.09Å; M35-F38 PolarHBondContact O-N 2.88Å; F38-L41 HydrophobicContact CD1-CD1 4.33Å; F38-L41 PolarHBondContact O-N 2.98Å; F38-A42 WeakPolarHBondContact O-CB 3.37Å; F38-A42 PolarHBondContact O-N 3.39Å; F38-F54 HydrophobicContact CB-CE1 3.77Å; F38-F54 HydrophobicContact CB-CZ 4.07Å; F38-D138 HydrophobicContact CE2-CB 4.3Å; F38-D138 HydrophobicContact CZ-CB 4.12Å; F38-F158 HydrophobicContact CE1-CB 4.13Å; F38-F158 AromaticContact CE1-CD1 3.97Å; F38-F158 HydrophobicContact CE1-CD1 3.97Å; F38-F158 HydrophobicContact CE1-CG 4.18Å; F38-F158 HydrophobicContact CZ-CB 4.45Å; F38-F158 HydrophobicContact CZ-CD1 4.13Å; F38-T160 HydrophobicContact CE2-CG2 3.8Å; F38-T160 HydrophobicContact CZ-CG2 3.99Å
39	K	95.8	Very high	93.9	Very high	50 Å²	50	37.2 Å²	37.2	22%	0.217	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-42.9	172	-74.1	178.6	69.4	174.4	0	112	M35 I37 L41 A42 S43 F54 I62 Y68	M35-K39 HydrophobicContact CG-CD 3.98Å; M35-K39 HydrophobicContact CG-CG 4.15Å; M35-K39 WeakPolarHBondContact O-CB 3.34Å; M35-K39 VanDerWaalsContact O-CG 3.3Å; M35-K39 WeakPolarHBondContact O-CG 3.27Å; M35-K39 PolarHBondContact O-N 3.42Å; M35-K39 HydrophobicContact SD-CG 4.19Å; I37-K39 VanDerWaalsContact C-N 3.33Å; I37-K39 PolarHBondContact O-N 3.09Å; K39-L41 VanDerWaalsContact C-N 3.32Å; K39-L41 PolarHBondContact O-N 3.42Å; K39-A42 PolarHBondContact O-N 3.14Å; K39-S43 PolarHBondContact O-N 3.41Å; K39-S43 PolarHBondContact O-OG 3.36Å; K39-F54 HydrophobicContact CG-CE2 4.34Å; K39-I62 HydrophobicContact CD-CD1 3.84Å; K39-I62 HydrophobicContact CD-CG1 4.09Å; K39-I62 HydrophobicContact CG-CD1 3.98Å; K39-Y68 WeakPolarHBondContact CE-OH 3.42Å; K39-Y68 HydrophobicContact CG-CE1 4.19Å
40	T	96.2	Very high	94.2	Very high	49 Å²	49	36.9 Å²	36.9	30%	0.301	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-42.6	177	-56.6	0	0	0	0	110.8	Y36 I37 A44 I264 L265 V441	Y36-T40 WeakPolarHBondContact O-CB 3.32Å; Y36-T40 PolarHBondContact O-N 3.44Å; Y36-T40 PolarHBondContact O-OG1 3.36Å; I37-T40 WeakPolarHBondContact O-CB 3.37Å; I37-T40 PolarHBondContact O-N 3.33Å; I37-T40 VanDerWaalsContact O-N 3.11Å; T40-A44 PolarHBondContact O-N 3.07Å; T40-I264 HydrophobicContact CG2-CG2 4.01Å; T40-L265 WeakPolarHBondContact OG1-CD2 3.34Å; T40-V441 HydrophobicContact CG2-CG2 3.9Å
41	L	97.2	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-41.7	174.7	-64.7	179.1	0	0	0	112.2	I37 F38 K39 S43 A44 L45 F158 I264 V441 T444	I37-L41 HydrophobicContact CG2-CD1 4.28Å; I37-L41 WeakPolarHBondContact O-CG 3.28Å; I37-L41 PolarHBondContact O-N 3.18Å; F38-L41 HydrophobicContact CD1-CD1 4.33Å; F38-L41 PolarHBondContact O-N 2.98Å; K39-L41 VanDerWaalsContact C-N 3.32Å; K39-L41 PolarHBondContact O-N 3.42Å; L41-S43 PolarHBondContact O-N 3Å; L41-A44 PolarHBondContact O-N 3Å; L41-L45 WeakPolarHBondContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.08Å; L41-L45 PolarHBondContact O-N 3.36Å; L41-F158 HydrophobicContact CD1-CD2 3.9Å; L41-F158 HydrophobicContact CD1-CE1 4.39Å; L41-F158 HydrophobicContact CD1-CE2 3.69Å; L41-F158 HydrophobicContact CD1-CG 4.34Å; L41-F158 HydrophobicContact CD1-CZ 3.98Å; L41-I264 HydrophobicContact CD2-CD1 4.14Å; L41-I264 HydrophobicContact CD2-CG2 4.2Å; L41-I264 HydrophobicContact CG-CG2 4.34Å; L41-V441 HydrophobicContact CD2-CG1 4.49Å; L41-T444 HydrophobicContact CD1-CG2 4.08Å; L41-T444 HydrophobicContact CD2-CG2 3.7Å
42	A	97.1	Very high	95	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-41.6	178.4	0	0	0	0	0	112.1	F38 K39 L45 H46 T52 F54 Y68	F38-A42 WeakPolarHBondContact O-CB 3.37Å; F38-A42 PolarHBondContact O-N 3.39Å; K39-A42 PolarHBondContact O-N 3.14Å; A42-L45 PolarHBondContact O-N 3.03Å; A42-H46 VanDerWaalsContact O-CB 3.31Å; A42-H46 WeakPolarHBondContact O-CB 3.34Å; A42-H46 PolarHBondContact O-N 2.9Å; A42-T52 HydrophobicContact CB-CG2 3.81Å; A42-F54 HydrophobicContact CB-CE2 4.11Å; A42-F54 HydrophobicContact CB-CZ 3.7Å; A42-Y68 HydrophobicContact CB-CD1 3.98Å
43	S	97.1	Very high	95.4	Very high	33 Å²	33	36.6 Å²	36.6	23%	0.231	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-48.7	171.4	-71.9	0	0	0	0	112	K39 L41 L45 H46 E47 H67	K39-S43 PolarHBondContact O-N 3.41Å; K39-S43 PolarHBondContact O-OG 3.36Å; L41-S43 PolarHBondContact O-N 3Å; S43-L45 PolarHBondContact O-N 3.37Å; S43-H46 WeakPolarHBondContact O-CB 3.14Å; S43-H46 PolarHBondContact O-N 2.67Å; S43-E47 WeakPolarHBondContact O-CG 3.37Å; S43-E47 PolarHBondContact O-N 3.45Å; S43-H67 PolarHBondContact OG-CD2 2.81Å
44	A	96.9	Very high	95.8	Very high	9 Å²	9	34.8 Å²	34.8	7%	0.074	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-33.9	179.4	0	0	0	0	0	113.4	T40 L41 R48 V441 I445	T40-A44 PolarHBondContact O-N 3.07Å; L41-A44 PolarHBondContact O-N 3Å; A44-R48 PolarHBondContact O-N 2.86Å; A44-V441 HydrophobicContact CB-CG1 3.35Å; A44-I445 HydrophobicContact CB-CD1 3.96Å; A44-I445 HydrophobicContact CB-CG1 3.96Å
45	L	97.3	Very high	95.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-42.8	172.4	-79.5	172.7	0	0	0	111	I23 L41 A42 S43 R48 G49 H50 T52 I445 I448	I23-L45 HydrophobicContact CD1-CD1 3.88Å; I23-L45 HydrophobicContact CD1-CD2 3.7Å; I23-L45 HydrophobicContact CD1-CG 4.38Å; L41-L45 WeakPolarHBondContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.08Å; L41-L45 PolarHBondContact O-N 3.36Å; A42-L45 PolarHBondContact O-N 3.03Å; S43-L45 PolarHBondContact O-N 3.37Å; L45-R48 CarbonylContact O-C 3.56Å; L45-R48 WeakPolarHBondContact O-CA 3.35Å; L45-R48 PolarHBondContact O-N 3.32Å; L45-R48 VanDerWaalsContact O-N 3.09Å; L45-G49 PolarHBondContact O-N 3.39Å; L45-H50 HydrophobicContact CB-CB 4.09Å; L45-H50 HydrophobicContact CD2-CB 4.25Å; L45-H50 WeakPolarHBondContact O-CB 3.43Å; L45-H50 PolarHBondContact O-N 2.87Å; L45-T52 WeakPolarHBondContact CD1-OG1 2.82Å; L45-I445 HydrophobicContact CB-CD1 4.32Å; L45-I445 HydrophobicContact CD2-CD1 3.49Å; L45-I445 VanDerWaalsContact CD2-CD1 3.49Å; L45-I445 HydrophobicContact CD2-CG2 4.1Å; L45-I445 HydrophobicContact CG-CD1 3.44Å; L45-I445 VanDerWaalsContact CG-CD1 3.44Å; L45-I448 HydrophobicContact CD1-CD1 4.47Å; L45-I448 HydrophobicContact CD2-CD1 4.23Å; L45-I448 HydrophobicContact CD2-CG2 3.98Å
46	H	96.9	Very high	96	Very high	76 Å²	76	33.8 Å²	33.8	35%	0.352	17%	0.17	S	C	.	.	H	α-helix	trans	-62.7	-42.6	177	180	84.2	0	0	0	112.2	A42 S43 R48 G49 H50 N66 H67	A42-H46 VanDerWaalsContact O-CB 3.31Å; A42-H46 WeakPolarHBondContact O-CB 3.34Å; A42-H46 PolarHBondContact O-N 2.9Å; S43-H46 WeakPolarHBondContact O-CB 3.14Å; S43-H46 PolarHBondContact O-N 2.67Å; H46-R48 PolarHBondContact O-N 3.49Å; H46-G49 WeakPolarHBondContact O-CA 3.27Å; H46-G49 PolarHBondContact O-N 3.46Å; H46-H50 WeakPolarHBondContact CA-O 3.15Å; H46-N66 PolarHBondContact CE1-O 3.19Å; H46-N66 PolarHBondContact ND1-O 2.94Å; H46-H67 HydrophobicContact CB-CB 4.07Å; H46-H67 AromaticContact CD2-ND1 3.26Å; H46-H67 PolarHBondContact CD2-ND1 3.37Å; H46-H67 VanDerWaalsContact CD2-ND1 3.26Å; H46-H67 AromaticContact CG-ND1 3.77Å; H46-H67 AromaticContact NE2-ND1 3.82Å
47	E	95.6	Very high	96	Very high	157 Å²	157	29 Å²	29	73%	0.734	15%	0.153	S	C	*	.	H	α-helix	trans	-60.2	-26.4	173.3	-71.8	171.5	-172.5	0	0	112.7	S43 G49	S43-E47 WeakPolarHBondContact O-CG 3.37Å; S43-E47 PolarHBondContact O-N 3.45Å; E47-G49 VanDerWaalsContact C-N 3.33Å
48	R	93.6	Very high	95.8	Very high	87 Å²	87	34.5 Å²	34.5	33%	0.328	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	8.7	172.8	-64.9	-132.5	169.9	86.8	14.2	113.8	V18 A44 L45 H46 H50 N442 I445	V18-R48 VanDerWaalsContact CG1-O 3.27Å; V18-R48 WeakPolarHBondContact CG1-O 3.13Å; A44-R48 PolarHBondContact O-N 2.86Å; L45-R48 CarbonylContact O-C 3.56Å; L45-R48 WeakPolarHBondContact O-CA 3.35Å; L45-R48 PolarHBondContact O-N 3.32Å; L45-R48 VanDerWaalsContact O-N 3.09Å; H46-R48 PolarHBondContact O-N 3.49Å; R48-H50 VanDerWaalsContact C-N 3.34Å; R48-N442 PolarHBondContact NH2-OD1 2.85Å; R48-I445 HydrophobicContact CG-CG2 4.12Å
49	G	94.8	Very high	95.3	Very high	45 Å²	45	35.9 Å²	35.9	46%	0.464	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	8.3	177.2	0	0	0	0	0	115	A20 L45 H46 E47	A20-G49 WeakPolarHBondContact CB-O 3.49Å; L45-G49 PolarHBondContact O-N 3.39Å; H46-G49 WeakPolarHBondContact O-CA 3.27Å; H46-G49 PolarHBondContact O-N 3.46Å; E47-G49 VanDerWaalsContact C-N 3.33Å
50	H	96.7	Very high	95	Very high	6 Å²	6	34 Å²	34	3%	0.028	18%	0.184	C	C	.	.			trans	-81.3	148.3	173.2	-58.7	-73	0	0	0	111.2	K19 A21 I23 L45 H46 R48 D449	K19-H50 PolarHBondContact O-CE1 3.49Å; K19-H50 VanDerWaalsContact O-CE1 3.27Å; A21-H50 VanDerWaalsContact CB-ND1 3.33Å; A21-H50 WeakPolarHBondContact CB-ND1 3.31Å; A21-H50 PolarHBondContact N-ND1 3.43Å; A21-H50 WeakPolarHBondContact O-CA 3.4Å; A21-H50 WeakPolarHBondContact O-CB 3.47Å; I23-H50 HydrophobicContact CD1-CB 4.06Å; L45-H50 HydrophobicContact CB-CB 4.09Å; L45-H50 HydrophobicContact CD2-CB 4.25Å; L45-H50 WeakPolarHBondContact O-CB 3.43Å; L45-H50 PolarHBondContact O-N 2.87Å; H46-H50 WeakPolarHBondContact CA-O 3.15Å; R48-H50 VanDerWaalsContact C-N 3.34Å; H50-D449 IonicContact CD2-OD1 3.42Å; H50-D449 IonicContact CE1-OD1 2.84Å; H50-D449 IonicContact NE2-OD1 2.69Å; H50-D449 PolarHBondContact NE2-OD1 2.82Å
51	H	97.1	Very high	94.5	Very high	81 Å²	81	37.2 Å²	37.2	38%	0.375	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.9	175.5	-178.2	-110.7	0	0	0	109.8	A21 K22 I23 S69	A21-H51 PolarHBondContact O-N 3.04Å; K22-H51 CarbonylContact C-O 3.4Å; K22-H51 WeakPolarHBondContact CA-O 3.47Å; K22-H51 HydrophobicContact CG-CB 4.45Å; I23-H51 PolarHBondContact N-O 3.41Å; H51-S69 PolarHBondContact CE1-OG 3.03Å
52	T	97.7	Very high	94.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.4	-178.5	-54.9	0	0	0	0	111	I23 I25 A42 L45 F54 Y68 S69	I23-T52 CarbonylContact O-C 3.28Å; I23-T52 WeakPolarHBondContact O-CA 3.32Å; I25-T52 HydrophobicContact CD1-CG2 3.47Å; I25-T52 VanDerWaalsContact CD1-CG2 3.47Å; I25-T52 HydrophobicContact CG1-CG2 3.96Å; A42-T52 HydrophobicContact CB-CG2 3.81Å; L45-T52 WeakPolarHBondContact CD1-OG1 2.82Å; T52-F54 HydrophobicContact CG2-CE1 4.34Å; T52-F54 HydrophobicContact CG2-CZ 4.42Å; T52-Y68 CarbonylContact O-C 3.6Å; T52-Y68 VanDerWaalsContact O-CA 3.29Å; T52-Y68 WeakPolarHBondContact O-CA 3.46Å; T52-S69 PolarHBondContact O-N 2.94Å
53	V	97.4	Very high	93.7	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.2	177.1	-173.3	0	0	0	0	109.6	I23 I24 I25 S69 Q71 F132	I23-V53 PolarHBondContact O-N 3.39Å; I24-V53 CarbonylContact C-O 3.58Å; I24-V53 WeakPolarHBondContact CA-O 3.39Å; I25-V53 PolarHBondContact N-O 2.91Å; V53-S69 WeakPolarHBondContact CA-O 3.26Å; V53-S69 VanDerWaalsContact CG2-OG 3.31Å; V53-S69 WeakPolarHBondContact CG2-OG 3.39Å; V53-Q71 HydrophobicContact CG1-CB 4.05Å; V53-F132 HydrophobicContact CB-CE1 3.83Å; V53-F132 HydrophobicContact CB-CZ 4.34Å; V53-F132 HydrophobicContact CG1-CE1 4.36Å; V53-F132 HydrophobicContact CG1-CZ 4.38Å; V53-F132 HydrophobicContact CG2-CE1 3.65Å; V53-F132 HydrophobicContact CG2-CZ 4.38Å
54	F	96.9	Very high	93.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.4	172.8	-69.3	-53.1	0	0	0	111.2	I25 F38 K39 A42 T52 L56 I62 Y68 S69 L70 Q71	I25-F54 HydrophobicContact CB-CD1 3.73Å; I25-F54 HydrophobicContact CB-CE1 3.81Å; I25-F54 HydrophobicContact CD1-CD1 4.45Å; I25-F54 HydrophobicContact CD1-CE1 3.71Å; I25-F54 HydrophobicContact CD1-CZ 4.48Å; I25-F54 HydrophobicContact CG1-CE1 4.24Å; I25-F54 HydrophobicContact CG2-CD1 4.05Å; I25-F54 HydrophobicContact CG2-CE1 3.92Å; F38-F54 HydrophobicContact CB-CE1 3.77Å; F38-F54 HydrophobicContact CB-CZ 4.07Å; K39-F54 HydrophobicContact CG-CE2 4.34Å; A42-F54 HydrophobicContact CB-CE2 4.11Å; A42-F54 HydrophobicContact CB-CZ 3.7Å; T52-F54 HydrophobicContact CG2-CE1 4.34Å; T52-F54 HydrophobicContact CG2-CZ 4.42Å; F54-L56 HydrophobicContact CB-CD1 4.02Å; F54-L56 HydrophobicContact CB-CD2 4.02Å; F54-L56 HydrophobicContact CB-CG 3.78Å; F54-I62 HydrophobicContact CD2-CD1 4.24Å; F54-I62 HydrophobicContact CE2-CD1 4.39Å; F54-Y68 HydrophobicContact CD2-CD1 4.28Å; F54-Y68 AromaticContact CD2-CD2 3.62Å; F54-Y68 HydrophobicContact CD2-CD2 3.62Å; F54-Y68 HydrophobicContact CD2-CE2 4.16Å; F54-Y68 AromaticContact CD2-CG 3.7Å; F54-Y68 HydrophobicContact CD2-CG 3.7Å; F54-Y68 AromaticContact CE2-CD1 3.58Å; F54-Y68 HydrophobicContact CE2-CD1 3.58Å; F54-Y68 AromaticContact CE2-CD2 3.8Å; F54-Y68 HydrophobicContact CE2-CD2 3.8Å; F54-Y68 HydrophobicContact CE2-CE1 4.02Å; F54-Y68 HydrophobicContact CE2-CE2 4.25Å; F54-Y68 AromaticContact CE2-CG 3.45Å; F54-Y68 HydrophobicContact CE2-CG 3.45Å; F54-Y68 VanDerWaalsContact CE2-CG 3.45Å; F54-S69 PolarHBondContact N-O 3.38Å; F54-L70 HydrophobicContact CB-CD2 3.96Å; F54-L70 HydrophobicContact CD2-CD2 4.05Å; F54-Q71 PolarHBondContact O-N 3.45Å
55	L	95.4	Very high	93	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	104.1	169.5	-179.4	60.1	0	0	0	109.7	I24 I25 V26 Q71 Y73 M117 L123 L127	I24-L55 HydrophobicContact CD1-CB 4.3Å; I25-L55 PolarHBondContact O-N 3.03Å; V26-L55 HydrophobicContact CG2-CB 4.3Å; V26-L55 HydrophobicContact CG2-CD2 4.1Å; L55-Q71 WeakPolarHBondContact CA-O 3.32Å; L55-Q71 HydrophobicContact CD1-CB 4.18Å; L55-Q71 HydrophobicContact CD1-CG 3.88Å; L55-Y73 HydrophobicContact CD1-CD1 3.74Å; L55-Y73 HydrophobicContact CD1-CE1 4.36Å; L55-Y73 HydrophobicContact CG-CD1 4.04Å; L55-Y73 HydrophobicContact CG-CE1 4.16Å; L55-M117 HydrophobicContact CD2-SD 4.1Å; L55-M117 HydrophobicContact CG-SD 4.45Å; L55-L123 HydrophobicContact CD1-CD1 3.88Å; L55-L123 HydrophobicContact CD1-CD2 4.33Å; L55-L127 HydrophobicContact CD1-CD1 4.33Å; L55-L127 HydrophobicContact CD2-CD1 4.06Å
56	L	93.9	Very high	92.9	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.6	-171.8	-54.8	-177.4	0	0	0	112.8	P27 M35 F54 I62 L70 Q71 R72 Y73	P27-L56 HydrophobicContact CG-CD2 3.39Å; M35-L56 HydrophobicContact CE-CD1 4.42Å; M35-L56 HydrophobicContact CE-CD2 3.57Å; F54-L56 HydrophobicContact CB-CD1 4.02Å; F54-L56 HydrophobicContact CB-CD2 4.02Å; F54-L56 HydrophobicContact CB-CG 3.78Å; L56-I62 HydrophobicContact CD1-CD1 4.4Å; L56-I62 HydrophobicContact CD1-CG2 3.89Å; L56-L70 HydrophobicContact CD1-CD2 3.9Å; L56-Q71 PolarHBondContact N-O 2.88Å; L56-R72 CarbonylContact O-C 3.57Å; L56-R72 VanDerWaalsContact O-CA 3.23Å; L56-R72 WeakPolarHBondContact O-CA 3.26Å; L56-Y73 VanDerWaalsContact C-CD1 3.45Å; L56-Y73 WeakPolarHBondContact O-CD1 3.36Å; L56-Y73 WeakPolarHBondContact O-CE1 3.5Å; L56-Y73 PolarHBondContact O-N 3.45Å
57	S	92.4	Very high	92.8	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.063	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	142.2	166	-179.2	0	0	0	0	110.8	G59 R60 R72 Y73 G75 F77	S57-G59 PolarHBondContact O-N 3.34Å; S57-R60 WeakPolarHBondContact O-CB 3.31Å; S57-R60 PolarHBondContact O-N 2.9Å; S57-R72 PolarHBondContact O-NH1 3.14Å; S57-Y73 CarbonylContact C-O 3.58Å; S57-Y73 WeakPolarHBondContact CA-O 3.25Å; S57-G75 WeakPolarHBondContact OG-CA 3.32Å; S57-G75 PolarHBondContact OG-N 3.49Å; S57-F77 VanDerWaalsContact CB-O 3.29Å; S57-F77 WeakPolarHBondContact CB-O 3.31Å; S57-F77 PolarHBondContact OG-O 3.3Å
58	E	90.3	Very high	92.8	Very high	114 Å²	114	47.1 Å²	47.1	53%	0.533	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-40.4	-179.3	-82.2	170.1	-169.7	0	0	113.2	R60 R72 Y73	E58-R60 VanDerWaalsContact C-N 3.34Å; E58-R60 PolarHBondContact O-N 3.3Å; E58-R72 HydrophobicContact CG-CB 3.75Å; E58-R72 PolarHBondContact O-NH1 2.78Å; E58-Y73 WeakPolarHBondContact CG-O 3.37Å; E58-Y73 PolarHBondContact N-O 3.14Å
59	G	85.3	Confident	92.9	Very high	29 Å²	29	45 Å²	45	30%	0.299	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6	179.9	0	0	0	0	0	115.3	S57 D61 N78 S79	S57-G59 PolarHBondContact O-N 3.34Å; G59-D61 PolarHBondContact O-N 3.36Å; G59-N78 CarbonylContact O-C 3.43Å; G59-N78 VanDerWaalsContact O-CA 3.27Å; G59-N78 WeakPolarHBondContact O-CA 3.48Å; G59-N78 WeakPolarHBondContact O-CB 3.36Å; G59-S79 PolarHBondContact O-N 2.94Å
60	R	90.3	Very high	92.9	Very high	11 Å²	11	45.7 Å²	45.7	4%	0.042	26%	0.262	C	S	.	.			trans	-82.9	110.6	174.2	-166	177.5	-172.8	171.7	8.3	109.7	P28 F31 E32 S57 E58 I62 R72	P28-R60 PolarHBondContact O-NH1 2.94Å; F31-R60 PolarHBondContact O-NH2 3.2Å; E32-R60 IonicContact OE1-CZ 2.83Å; E32-R60 IonicContact OE1-NE 2.82Å; E32-R60 PolarHBondContact OE1-NE 3.3Å; E32-R60 VanDerWaalsContact OE1-NE 3.1Å; E32-R60 IonicContact OE1-NH2 2.71Å; E32-R60 PolarHBondContact OE1-NH2 3.37Å; S57-R60 WeakPolarHBondContact O-CB 3.31Å; S57-R60 PolarHBondContact O-N 2.9Å; E58-R60 VanDerWaalsContact C-N 3.34Å; E58-R60 PolarHBondContact O-N 3.3Å; R60-I62 PolarHBondContact O-N 2.91Å; R60-R72 PolarHBondContact O-NH1 3Å; R60-R72 PolarHBondContact O-NH2 3.41Å
61	D	85.8	Confident	92.8	Very high	116 Å²	116	48.2 Å²	48.2	62%	0.62	27%	0.274	S	S	*	.			trans	-75.8	122	179.1	-65.1	-37.1	0	0	0	110.7	G59 S79	G59-D61 PolarHBondContact O-N 3.36Å; D61-S79 PolarHBondContact N-OG 2.86Å
62	I	89.1	Confident	92.6	Very high	24 Å²	24	48.1 Å²	48.1	12%	0.123	27%	0.271	C	S	.	.			trans	-137.8	133.4	173.8	-171.2	175.5	0	0	0	107.5	M35 K39 F54 L56 R60 Y68 L70	M35-I62 HydrophobicContact CG-CD1 4.17Å; M35-I62 HydrophobicContact SD-CD1 3.79Å; K39-I62 HydrophobicContact CD-CD1 3.84Å; K39-I62 HydrophobicContact CD-CG1 4.09Å; K39-I62 HydrophobicContact CG-CD1 3.98Å; F54-I62 HydrophobicContact CD2-CD1 4.24Å; F54-I62 HydrophobicContact CE2-CD1 4.39Å; L56-I62 HydrophobicContact CD1-CD1 4.4Å; L56-I62 HydrophobicContact CD1-CG2 3.89Å; R60-I62 PolarHBondContact O-N 2.91Å; I62-Y68 HydrophobicContact CD1-CE2 3.84Å; I62-Y68 HydrophobicContact CG1-CE2 4.33Å; I62-Y68 WeakPolarHBondContact CG1-OH 3.3Å; I62-L70 HydrophobicContact CG2-CD1 3.52Å; I62-L70 HydrophobicContact CG2-CD2 3.86Å; I62-L70 HydrophobicContact CG2-CG 4.36Å
63	A	87.3	Confident	92.4	Very high	60 Å²	60	48.4 Å²	48.4	50%	0.496	27%	0.271	S	S	.	.			trans	-55.1	133	177.8	0	0	0	0	0	110.4	Y68	A63-Y68 PolarHBondContact O-OH 3.49Å
64	P	87.3	Confident	92.2	Very high	131 Å²	131	51 Å²	51	85%	0.851	29%	0.289	S	S	*	.			trans	-56.3	142.8	171.6	-23	33.1	0	0	0	110.7
65	S	92.9	Very high	91.7	Very high	37 Å²	37	52 Å²	52	26%	0.259	30%	0.299	S	S	.	.			trans	-152.2	146.8	-179.5	179.6	0	0	0	0	109.6	H67 Y68	S65-H67 PolarHBondContact O-N 3.18Å; S65-H67 WeakPolarHBondContact OG-CB 3.49Å; S65-H67 PolarHBondContact OG-CD2 3.44Å; S65-H67 PolarHBondContact OG-N 3.21Å; S65-H67 VanDerWaalsContact OG-N 3.14Å; S65-Y68 VanDerWaalsContact CB-CZ 3.47Å; S65-Y68 VanDerWaalsContact O-O 3.12Å
66	N	93.3	Very high	91.5	Very high	153 Å²	153	54.2 Å²	54.2	82%	0.818	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.3	172.7	-64.3	-18.6	0	0	0	112.3	H46	H46-N66 PolarHBondContact CE1-O 3.19Å; H46-N66 PolarHBondContact ND1-O 2.94Å
67	H	95	Very high	91.4	Very high	64 Å²	64	55.3 Å²	55.3	30%	0.296	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-16.9	-176.9	-56.7	-44.2	0	0	0	114.3	S43 H46 S65	S43-H67 PolarHBondContact OG-CD2 2.81Å; H46-H67 HydrophobicContact CB-CB 4.07Å; H46-H67 AromaticContact CD2-ND1 3.26Å; H46-H67 PolarHBondContact CD2-ND1 3.37Å; H46-H67 VanDerWaalsContact CD2-ND1 3.26Å; H46-H67 AromaticContact CG-ND1 3.77Å; H46-H67 AromaticContact NE2-ND1 3.82Å; S65-H67 PolarHBondContact O-N 3.18Å; S65-H67 WeakPolarHBondContact OG-CB 3.49Å; S65-H67 PolarHBondContact OG-CD2 3.44Å; S65-H67 PolarHBondContact OG-N 3.21Å; S65-H67 VanDerWaalsContact OG-N 3.14Å
68	Y	95.8	Very high	91.3	Very high	15 Å²	15	57.9 Å²	57.9	6%	0.059	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	154.4	-178.5	50.8	-101.5	0	0	0	110.9	K39 A42 T52 F54 I62 A63 S65 L70	K39-Y68 WeakPolarHBondContact CE-OH 3.42Å; K39-Y68 HydrophobicContact CG-CE1 4.19Å; A42-Y68 HydrophobicContact CB-CD1 3.98Å; T52-Y68 CarbonylContact O-C 3.6Å; T52-Y68 VanDerWaalsContact O-CA 3.29Å; T52-Y68 WeakPolarHBondContact O-CA 3.46Å; F54-Y68 HydrophobicContact CD2-CD1 4.28Å; F54-Y68 AromaticContact CD2-CD2 3.62Å; F54-Y68 HydrophobicContact CD2-CD2 3.62Å; F54-Y68 HydrophobicContact CD2-CE2 4.16Å; F54-Y68 AromaticContact CD2-CG 3.7Å; F54-Y68 HydrophobicContact CD2-CG 3.7Å; F54-Y68 AromaticContact CE2-CD1 3.58Å; F54-Y68 HydrophobicContact CE2-CD1 3.58Å; F54-Y68 AromaticContact CE2-CD2 3.8Å; F54-Y68 HydrophobicContact CE2-CD2 3.8Å; F54-Y68 HydrophobicContact CE2-CE1 4.02Å; F54-Y68 HydrophobicContact CE2-CE2 4.25Å; F54-Y68 AromaticContact CE2-CG 3.45Å; F54-Y68 HydrophobicContact CE2-CG 3.45Å; F54-Y68 VanDerWaalsContact CE2-CG 3.45Å; I62-Y68 HydrophobicContact CD1-CE2 3.84Å; I62-Y68 HydrophobicContact CG1-CE2 4.33Å; I62-Y68 WeakPolarHBondContact CG1-OH 3.3Å; A63-Y68 PolarHBondContact O-OH 3.49Å; S65-Y68 VanDerWaalsContact CB-CZ 3.47Å; S65-Y68 VanDerWaalsContact O-O 3.12Å; Y68-L70 HydrophobicContact CD2-CD2 3.76Å; Y68-L70 HydrophobicContact CE2-CD2 3.88Å
69	S	95.8	Very high	91.2	Very high	41 Å²	41	53.7 Å²	53.7	29%	0.287	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	165.8	166.6	79.6	0	0	0	0	111.2	H51 T52 V53 F54	H51-S69 PolarHBondContact CE1-OG 3.03Å; T52-S69 PolarHBondContact O-N 2.94Å; V53-S69 WeakPolarHBondContact CA-O 3.26Å; V53-S69 VanDerWaalsContact CG2-OG 3.31Å; V53-S69 WeakPolarHBondContact CG2-OG 3.39Å; F54-S69 PolarHBondContact N-O 3.38Å
70	L	94.9	Very high	91.4	Very high	60 Å²	60	57.3 Å²	57.3	31%	0.314	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.1	-177.1	-53.5	179.2	0	0	0	109.4	F54 L56 I62 Y68	F54-L70 HydrophobicContact CB-CD2 3.96Å; F54-L70 HydrophobicContact CD2-CD2 4.05Å; L56-L70 HydrophobicContact CD1-CD2 3.9Å; I62-L70 HydrophobicContact CG2-CD1 3.52Å; I62-L70 HydrophobicContact CG2-CD2 3.86Å; I62-L70 HydrophobicContact CG2-CG 4.36Å; Y68-L70 HydrophobicContact CD2-CD2 3.76Å; Y68-L70 HydrophobicContact CE2-CD2 3.88Å
71	Q	94.7	Very high	91.5	Very high	60 Å²	60	59.4 Å²	59.4	28%	0.28	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.8	161.7	-178.8	63.9	46.8	0	0	107.9	V53 F54 L55 L56 L123 L127	V53-Q71 HydrophobicContact CG1-CB 4.05Å; F54-Q71 PolarHBondContact O-N 3.45Å; L55-Q71 WeakPolarHBondContact CA-O 3.32Å; L55-Q71 HydrophobicContact CD1-CB 4.18Å; L55-Q71 HydrophobicContact CD1-CG 3.88Å; L56-Q71 PolarHBondContact N-O 2.88Å; Q71-L123 HydrophobicContact CG-CD1 3.81Å; Q71-L127 HydrophobicContact CB-CD2 4.36Å; Q71-L127 HydrophobicContact CG-CD2 3.8Å
72	R	93.7	Very high	91.8	Very high	79 Å²	79	54.2 Å²	54.2	30%	0.298	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	151.6	-177.7	-67.9	-176.4	177.2	-81.8	5.9	112.4	L56 S57 E58 R60	L56-R72 CarbonylContact O-C 3.57Å; L56-R72 VanDerWaalsContact O-CA 3.23Å; L56-R72 WeakPolarHBondContact O-CA 3.26Å; S57-R72 PolarHBondContact O-NH1 3.14Å; E58-R72 HydrophobicContact CG-CB 3.75Å; E58-R72 PolarHBondContact O-NH1 2.78Å; R60-R72 PolarHBondContact O-NH1 3Å; R60-R72 PolarHBondContact O-NH2 3.41Å
73	Y	93.7	Very high	91.8	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.02	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155.1	173.8	71.9	-88.3	0	0	0	111.2	L55 L56 S57 E58 G75 N113 M117 L123	L55-Y73 HydrophobicContact CD1-CD1 3.74Å; L55-Y73 HydrophobicContact CD1-CE1 4.36Å; L55-Y73 HydrophobicContact CG-CD1 4.04Å; L55-Y73 HydrophobicContact CG-CE1 4.16Å; L56-Y73 VanDerWaalsContact C-CD1 3.45Å; L56-Y73 WeakPolarHBondContact O-CD1 3.36Å; L56-Y73 WeakPolarHBondContact O-CE1 3.5Å; L56-Y73 PolarHBondContact O-N 3.45Å; S57-Y73 CarbonylContact C-O 3.58Å; S57-Y73 WeakPolarHBondContact CA-O 3.25Å; E58-Y73 WeakPolarHBondContact CG-O 3.37Å; E58-Y73 PolarHBondContact N-O 3.14Å; Y73-G75 VanDerWaalsContact CE2-CA 3.42Å; Y73-G75 PolarHBondContact O-N 2.96Å; Y73-N113 WeakPolarHBondContact CE2-OD1 3.11Å; Y73-N113 VanDerWaalsContact OH-CG 3.31Å; Y73-N113 PolarHBondContact OH-ND2 3.45Å; Y73-N113 PolarHBondContact OH-OD1 3.45Å; Y73-M117 HydrophobicContact CD1-CG 4.2Å; Y73-M117 HydrophobicContact CD1-SD 4.11Å; Y73-M117 HydrophobicContact CD2-CG 3.56Å; Y73-M117 HydrophobicContact CD2-SD 4.4Å; Y73-M117 HydrophobicContact CE1-CG 3.95Å; Y73-M117 HydrophobicContact CE1-SD 3.47Å; Y73-M117 WeakPolarHBondContact CE1-SD 3.48Å; Y73-M117 HydrophobicContact CE2-CG 3.28Å; Y73-M117 HydrophobicContact CE2-SD 3.82Å; Y73-M117 HydrophobicContact CG-CG 4.04Å; Y73-L123 HydrophobicContact CG-CD2 4.09Å
74	P	91.4	Very high	92.1	Very high	59 Å²	59	54.7 Å²	54.7	38%	0.383	32%	0.317	S	S	.	.			trans	-70	98.3	173.6	28.1	-34.1	0	0	0	109.4	M116	P74-M116 VanDerWaalsContact O-CE 3.25Å; P74-M116 WeakPolarHBondContact O-CE 3.38Å
75	G	88.3	Confident	92.4	Very high	20 Å²	20	49.7 Å²	49.7	21%	0.206	28%	0.282	C	S	.	.			trans	-98.6	171.5	179.2	0	0	0	0	0	113.3	S57 Y73 F77	S57-G75 WeakPolarHBondContact OG-CA 3.32Å; S57-G75 PolarHBondContact OG-N 3.49Å; Y73-G75 VanDerWaalsContact CE2-CA 3.42Å; Y73-G75 PolarHBondContact O-N 2.96Å; G75-F77 VanDerWaalsContact C-N 3.28Å; G75-F77 PolarHBondContact O-N 3.39Å
76	I	90.7	Very high	92.4	Very high	50 Å²	50	48.2 Å²	48.2	26%	0.256	27%	0.271	S	S	.	.	S	Bend	trans	-69.5	-25	-179.4	59.3	170.3	0	0	0	113.8	I29 H109 N113 M116	I29-I76 HydrophobicContact CD1-CD1 3.62Å; I29-I76 HydrophobicContact CD1-CG1 3.82Å; I76-H109 HydrophobicContact CD1-CB 3.85Å; I76-H109 VanDerWaalsContact CD1-O 3.27Å; I76-H109 WeakPolarHBondContact CD1-O 3.01Å; I76-N113 HydrophobicContact CD1-CB 3.94Å; I76-N113 HydrophobicContact CG1-CB 3.95Å; I76-N113 HydrophobicContact CG2-CB 4.47Å; I76-M116 HydrophobicContact CB-SD 4.43Å; I76-M116 HydrophobicContact CG2-SD 3.25Å; I76-M116 WeakPolarHBondContact CG2-SD 3.41Å
77	F	91.4	Very high	92.3	Very high	24 Å²	24	41.8 Å²	41.8	11%	0.105	24%	0.236	C	C	.	.			trans	-127.2	148.3	-174.2	-69.5	-52.5	0	0	0	112	I29 M30 S57 G75 T81 F85 H109	I29-F77 HydrophobicContact CD1-CD2 4.05Å; I29-F77 HydrophobicContact CG1-CD2 4.25Å; M30-F77 HydrophobicContact CE-CD2 4.36Å; M30-F77 HydrophobicContact CE-CE2 3.65Å; M30-F77 HydrophobicContact CG-CD2 4.17Å; M30-F77 HydrophobicContact CG-CE2 4.19Å; M30-F77 HydrophobicContact SD-CE2 4.18Å; S57-F77 VanDerWaalsContact CB-O 3.29Å; S57-F77 WeakPolarHBondContact CB-O 3.31Å; S57-F77 PolarHBondContact OG-O 3.3Å; G75-F77 VanDerWaalsContact C-N 3.28Å; G75-F77 PolarHBondContact O-N 3.39Å; F77-T81 WeakPolarHBondContact CA-OG1 3.36Å; F77-F85 HydrophobicContact CE1-CB 3.89Å; F77-F85 HydrophobicContact CE1-CD2 4.39Å; F77-F85 HydrophobicContact CE1-CG 4.09Å; F77-F85 HydrophobicContact CE2-CD1 4.3Å; F77-F85 HydrophobicContact CE2-CG 4.49Å; F77-F85 HydrophobicContact CZ-CB 3.94Å; F77-F85 AromaticContact CZ-CD1 3.88Å; F77-F85 HydrophobicContact CZ-CD1 3.88Å; F77-F85 AromaticContact CZ-CD2 3.94Å; F77-F85 HydrophobicContact CZ-CD2 3.94Å; F77-F85 HydrophobicContact CZ-CE1 4.34Å; F77-F85 HydrophobicContact CZ-CE2 4.39Å; F77-F85 AromaticContact CZ-CG 3.65Å; F77-F85 HydrophobicContact CZ-CG 3.65Å; F77-H109 HydrophobicContact CE2-CB 4.16Å; F77-H109 AromaticContact CE2-CD2 3.99Å; F77-H109 AromaticContact CZ-CD2 3.63Å
78	N	90.6	Very high	92.3	Very high	63 Å²	63	41.1 Å²	41.1	34%	0.337	24%	0.239	S	C	.	.			trans	-108.6	177.2	159.5	67.9	39.1	0	0	0	108.8	G59 T80 T81 S82	G59-N78 CarbonylContact O-C 3.43Å; G59-N78 VanDerWaalsContact O-CA 3.27Å; G59-N78 WeakPolarHBondContact O-CA 3.48Å; G59-N78 WeakPolarHBondContact O-CB 3.36Å; N78-T80 VanDerWaalsContact C-N 3.27Å; N78-T80 PolarHBondContact O-N 3.42Å; N78-T80 WeakPolarHBondContact OD1-CA 3.35Å; N78-T80 PolarHBondContact OD1-N 3.37Å; N78-T81 PolarHBondContact N-OG1 2.92Å; N78-T81 PolarHBondContact O-N 2.9Å; N78-T81 PolarHBondContact O-OG1 2.85Å; N78-T81 WeakPolarHBondContact OD1-CG2 3.39Å; N78-T81 PolarHBondContact OD1-N 3.37Å; N78-T81 PolarHBondContact OD1-OG1 2.97Å; N78-S82 WeakPolarHBondContact O-CB 3.26Å; N78-S82 PolarHBondContact O-N 3Å; N78-S82 PolarHBondContact O-OG 3.08Å
79	S	87.3	Confident	92.2	Very high	26 Å²	26	41.2 Å²	41.2	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-38.5	-178.4	-67	0	0	0	0	113.1	G59 D61 S82 D83	G59-S79 PolarHBondContact O-N 2.94Å; D61-S79 PolarHBondContact N-OG 2.86Å; S79-S82 PolarHBondContact O-OG 3.38Å; S79-S82 VanDerWaalsContact O-OG 3.05Å; S79-D83 WeakPolarHBondContact O-CB 3.43Å; S79-D83 PolarHBondContact O-N 2.93Å
80	T	89.9	Confident	91.9	Very high	105 Å²	105	39.4 Å²	39.4	64%	0.644	23%	0.227	S	C	*	.	H	α-helix	trans	-75.2	-42.4	-179.2	-53.7	0	0	0	0	112.3	N78 D83 A84	N78-T80 VanDerWaalsContact C-N 3.27Å; N78-T80 PolarHBondContact O-N 3.42Å; N78-T80 WeakPolarHBondContact OD1-CA 3.35Å; N78-T80 PolarHBondContact OD1-N 3.37Å; T80-D83 PolarHBondContact O-N 3.21Å; T80-A84 WeakPolarHBondContact O-CB 3.21Å; T80-A84 PolarHBondContact O-N 3.09Å
81	T	92.8	Very high	91.8	Very high	56 Å²	56	43.4 Å²	43.4	34%	0.344	24%	0.237	S	C	.	.	H	α-helix	trans	-75.2	-33.7	-177.3	57	0	0	0	0	112.3	F77 N78 F85	F77-T81 WeakPolarHBondContact CA-OG1 3.36Å; N78-T81 PolarHBondContact N-OG1 2.92Å; N78-T81 PolarHBondContact O-N 2.9Å; N78-T81 PolarHBondContact O-OG1 2.85Å; N78-T81 WeakPolarHBondContact OD1-CG2 3.39Å; N78-T81 PolarHBondContact OD1-N 3.37Å; N78-T81 PolarHBondContact OD1-OG1 2.97Å; T81-F85 VanDerWaalsContact O-CB 3.27Å; T81-F85 WeakPolarHBondContact O-CB 3.21Å; T81-F85 PolarHBondContact O-N 2.79Å
82	S	91.4	Very high	91.7	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-44.9	170.3	52.4	0	0	0	0	111.6	N78 S79 F85 L86	N78-S82 WeakPolarHBondContact O-CB 3.26Å; N78-S82 PolarHBondContact O-N 3Å; N78-S82 PolarHBondContact O-OG 3.08Å; S79-S82 PolarHBondContact O-OG 3.38Å; S79-S82 VanDerWaalsContact O-OG 3.05Å; S82-F85 WeakPolarHBondContact O-CB 3.5Å; S82-F85 PolarHBondContact O-N 3Å; S82-L86 WeakPolarHBondContact O-CG 3.08Å; S82-L86 PolarHBondContact O-N 2.74Å
83	D	90.5	Very high	91.6	Very high	38 Å²	38	39.2 Å²	39.2	20%	0.203	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-47.9	175.3	-176.9	56.1	0	0	0	111.5	S79 T80 F85 L86 Q87 K298	S79-D83 WeakPolarHBondContact O-CB 3.43Å; S79-D83 PolarHBondContact O-N 2.93Å; T80-D83 PolarHBondContact O-N 3.21Å; D83-F85 VanDerWaalsContact C-N 3.28Å; D83-F85 PolarHBondContact O-N 3.22Å; D83-L86 PolarHBondContact O-N 3.12Å; D83-Q87 VanDerWaalsContact O-CG 3.28Å; D83-Q87 WeakPolarHBondContact O-CG 3.22Å; D83-Q87 PolarHBondContact O-N 3.21Å; D83-Q87 PolarHBondContact OD1-NE2 2.94Å; D83-K298 VanDerWaalsContact OD1-CE 3.26Å; D83-K298 WeakPolarHBondContact OD1-CE 3.34Å; D83-K298 IonicContact OD1-NZ 3.66Å; D83-K298 PolarHBondContact OD1-NZ 3.35Å; D83-K298 WeakPolarHBondContact OD2-CD 3.5Å; D83-K298 WeakPolarHBondContact OD2-CE 3.36Å; D83-K298 IonicContact OD2-NZ 3.31Å; D83-K298 PolarHBondContact OD2-NZ 3.1Å
84	A	92.7	Very high	91.4	Very high	57 Å²	57	40.1 Å²	40.1	47%	0.471	23%	0.227	S	C	.	.	H	α-helix	trans	-58.3	-40	176.7	0	0	0	0	0	112.4	T80 Q87 S88	T80-A84 WeakPolarHBondContact O-CB 3.21Å; T80-A84 PolarHBondContact O-N 3.09Å; A84-Q87 PolarHBondContact O-N 3.49Å; A84-S88 WeakPolarHBondContact O-CB 3.17Å; A84-S88 PolarHBondContact O-N 3.49Å
85	F	93.8	Very high	91.4	Very high	25 Å²	25	42 Å²	42	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-50.6	174.6	177.6	-101.1	0	0	0	111.3	M30 F77 T81 S82 D83 Q87 S88 K89 I106 H109	M30-F85 HydrophobicContact CE-CD1 4.44Å; M30-F85 HydrophobicContact CE-CE1 3.96Å; M30-F85 HydrophobicContact SD-CD1 3.77Å; M30-F85 HydrophobicContact SD-CE1 3.66Å; F77-F85 HydrophobicContact CE1-CB 3.89Å; F77-F85 HydrophobicContact CE1-CD2 4.39Å; F77-F85 HydrophobicContact CE1-CG 4.09Å; F77-F85 HydrophobicContact CE2-CD1 4.3Å; F77-F85 HydrophobicContact CE2-CG 4.49Å; F77-F85 HydrophobicContact CZ-CB 3.94Å; F77-F85 AromaticContact CZ-CD1 3.88Å; F77-F85 HydrophobicContact CZ-CD1 3.88Å; F77-F85 AromaticContact CZ-CD2 3.94Å; F77-F85 HydrophobicContact CZ-CD2 3.94Å; F77-F85 HydrophobicContact CZ-CE1 4.34Å; F77-F85 HydrophobicContact CZ-CE2 4.39Å; F77-F85 AromaticContact CZ-CG 3.65Å; F77-F85 HydrophobicContact CZ-CG 3.65Å; T81-F85 VanDerWaalsContact O-CB 3.27Å; T81-F85 WeakPolarHBondContact O-CB 3.21Å; T81-F85 PolarHBondContact O-N 2.79Å; S82-F85 WeakPolarHBondContact O-CB 3.5Å; S82-F85 PolarHBondContact O-N 3Å; D83-F85 VanDerWaalsContact C-N 3.28Å; D83-F85 PolarHBondContact O-N 3.22Å; F85-Q87 PolarHBondContact O-N 2.89Å; F85-S88 VanDerWaalsContact O-CB 3.32Å; F85-S88 WeakPolarHBondContact O-CB 3.27Å; F85-S88 PolarHBondContact O-N 2.66Å; F85-S88 VanDerWaalsContact O-N 3.14Å; F85-K89 HydrophobicContact CE1-CG 4.29Å; F85-K89 HydrophobicContact CZ-CD 4.36Å; F85-K89 HydrophobicContact CZ-CG 4.47Å; F85-K89 WeakPolarHBondContact O-CG 3.38Å; F85-K89 PolarHBondContact O-N 3.4Å; F85-I106 HydrophobicContact CE1-CG1 3.96Å; F85-H109 AromaticContact CE2-CE1 3.5Å; F85-H109 VanDerWaalsContact CE2-CE1 3.5Å; F85-H109 WeakPolarHBondContact CE2-CE1 3.2Å; F85-H109 AromaticContact CE2-ND1 3.87Å; F85-H109 AromaticContact CE2-NE2 3.79Å; F85-H109 AromaticContact CZ-CE1 3.66Å; F85-H109 AromaticContact CZ-CG 3.95Å; F85-H109 AromaticContact CZ-ND1 3.52Å
86	L	92.1	Very high	91.4	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-42	177.3	-69.2	178.3	0	0	0	112.2	M30 F31 S82 D83 S88 K89 M90 I106	M30-L86 HydrophobicContact CB-CD1 4.17Å; M30-L86 HydrophobicContact CB-CD2 4.32Å; M30-L86 HydrophobicContact CB-CG 4.37Å; M30-L86 WeakPolarHBondContact O-CD1 3.45Å; M30-L86 HydrophobicContact SD-CD2 4.24Å; F31-L86 HydrophobicContact CD1-CD1 3.78Å; F31-L86 HydrophobicContact CD1-CD2 4.4Å; F31-L86 HydrophobicContact CE1-CD1 3.73Å; F31-L86 HydrophobicContact CE1-CD2 3.57Å; F31-L86 HydrophobicContact CE1-CG 4.32Å; F31-L86 HydrophobicContact CZ-CD2 3.69Å; S82-L86 WeakPolarHBondContact O-CG 3.08Å; S82-L86 PolarHBondContact O-N 2.74Å; D83-L86 PolarHBondContact O-N 3.12Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 2.96Å; L86-K89 WeakPolarHBondContact O-CB 3.32Å; L86-K89 PolarHBondContact O-N 2.93Å; L86-K89 VanDerWaalsContact O-N 3.16Å; L86-M90 PolarHBondContact O-N 3.47Å; L86-I106 HydrophobicContact CD2-CD1 4.45Å
87	Q	92.3	Very high	91.3	Very high	17 Å²	17	47.3 Å²	47.3	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-35	176.2	-61.8	-35.7	-53.6	0	0	111.9	D83 A84 F85 M90 R91 G296 K298	D83-Q87 VanDerWaalsContact O-CG 3.28Å; D83-Q87 WeakPolarHBondContact O-CG 3.22Å; D83-Q87 PolarHBondContact O-N 3.21Å; D83-Q87 PolarHBondContact OD1-NE2 2.94Å; A84-Q87 PolarHBondContact O-N 3.49Å; F85-Q87 PolarHBondContact O-N 2.89Å; Q87-M90 PolarHBondContact O-N 3.24Å; Q87-R91 WeakPolarHBondContact O-CG 3.36Å; Q87-R91 PolarHBondContact O-N 2.82Å; Q87-G296 PolarHBondContact NE2-O 3.03Å; Q87-K298 HydrophobicContact CG-CB 4.4Å
88	S	94.3	Very high	91.1	Very high	51 Å²	51	51.5 Å²	51.5	36%	0.357	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-42.9	172.1	173.5	0	0	0	0	111.8	A84 F85 L86 M90 R91 N92	A84-S88 WeakPolarHBondContact O-CB 3.17Å; A84-S88 PolarHBondContact O-N 3.49Å; F85-S88 VanDerWaalsContact O-CB 3.32Å; F85-S88 WeakPolarHBondContact O-CB 3.27Å; F85-S88 PolarHBondContact O-N 2.66Å; F85-S88 VanDerWaalsContact O-N 3.14Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 2.96Å; S88-M90 VanDerWaalsContact C-N 3.33Å; S88-M90 PolarHBondContact O-N 3.39Å; S88-R91 PolarHBondContact O-N 3.09Å; S88-N92 PolarHBondContact O-N 3.05Å
89	K	93.5	Very high	90.9	Very high	16 Å²	16	49.9 Å²	49.9	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-42.7	173.6	-55.3	-49.2	167.6	-167.3	0	112.2	F85 L86 N92 I93 E102 D105	F85-K89 HydrophobicContact CE1-CG 4.29Å; F85-K89 HydrophobicContact CZ-CD 4.36Å; F85-K89 HydrophobicContact CZ-CG 4.47Å; F85-K89 WeakPolarHBondContact O-CG 3.38Å; F85-K89 PolarHBondContact O-N 3.4Å; L86-K89 WeakPolarHBondContact O-CB 3.32Å; L86-K89 PolarHBondContact O-N 2.93Å; L86-K89 VanDerWaalsContact O-N 3.16Å; K89-N92 PolarHBondContact O-N 3.27Å; K89-I93 VanDerWaalsContact O-CG1 3.32Å; K89-I93 WeakPolarHBondContact O-CG1 3.33Å; K89-I93 PolarHBondContact O-N 3.37Å; K89-E102 HydrophobicContact CB-CB 4.34Å; K89-E102 HydrophobicContact CD-CB 4.13Å; K89-E102 HydrophobicContact CD-CG 4.29Å; K89-E102 WeakPolarHBondContact CD-OE2 3.1Å; K89-E102 IonicContact NZ-OE2 3.13Å; K89-E102 PolarHBondContact NZ-OE2 2.83Å; K89-E102 VanDerWaalsContact NZ-OE2 3.1Å; K89-D105 WeakPolarHBondContact CE-OD2 3.36Å; K89-D105 IonicContact NZ-OD2 2.79Å; K89-D105 PolarHBondContact NZ-OD2 2.91Å
90	M	90.9	Very high	90.8	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.02	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-46.3	176	-68.4	-54.3	101.9	0	0	111.5	L86 Q87 S88 N92 I93 F94 V297 Y299 F380	L86-M90 PolarHBondContact O-N 3.47Å; Q87-M90 PolarHBondContact O-N 3.24Å; S88-M90 VanDerWaalsContact C-N 3.33Å; S88-M90 PolarHBondContact O-N 3.39Å; M90-N92 VanDerWaalsContact C-N 3.31Å; M90-N92 PolarHBondContact O-N 2.8Å; M90-I93 HydrophobicContact CE-CD1 3.61Å; M90-I93 PolarHBondContact O-N 3.42Å; M90-F94 HydrophobicContact CB-CD2 4.41Å; M90-F94 HydrophobicContact CB-CE2 4.36Å; M90-F94 WeakPolarHBondContact O-CD2 3.2Å; M90-F94 PolarHBondContact O-N 3.01Å; M90-V297 HydrophobicContact SD-CG2 4.35Å; M90-Y299 HydrophobicContact CB-CD1 4.47Å; M90-F380 HydrophobicContact CE-CB 4.4Å; M90-F380 HydrophobicContact CE-CD1 3.22Å; M90-F380 HydrophobicContact CE-CD2 4.3Å; M90-F380 HydrophobicContact CE-CE1 3.37Å; M90-F380 HydrophobicContact CE-CE2 4.41Å; M90-F380 HydrophobicContact CE-CG 3.73Å; M90-F380 HydrophobicContact CE-CZ 3.98Å; M90-F380 HydrophobicContact SD-CD1 3.42Å; M90-F380 WeakPolarHBondContact SD-CD1 3.41Å; M90-F380 HydrophobicContact SD-CE1 3.37Å; M90-F380 WeakPolarHBondContact SD-CE1 3.44Å; M90-F380 HydrophobicContact SD-CG 4.46Å; M90-F380 HydrophobicContact SD-CZ 4.38Å
91	R	92.6	Very high	90.8	Very high	144 Å²	144	50 Å²	50	54%	0.543	29%	0.287	S	S	.	.	H	α-helix	trans	-56.7	-44.4	176	-72	174.6	-172.8	-146.2	4.3	112	Q87 S88 F94 S95 Y299	Q87-R91 WeakPolarHBondContact O-CG 3.36Å; Q87-R91 PolarHBondContact O-N 2.82Å; S88-R91 PolarHBondContact O-N 3.09Å; R91-F94 PolarHBondContact O-N 3.44Å; R91-S95 WeakPolarHBondContact O-CB 3.37Å; R91-S95 PolarHBondContact O-N 3.05Å; R91-S95 PolarHBondContact O-OG 3.23Å; R91-Y299 HydrophobicContact CB-CD1 4.45Å; R91-Y299 HydrophobicContact CB-CE1 4.28Å; R91-Y299 HydrophobicContact CG-CD1 3.59Å; R91-Y299 HydrophobicContact CG-CD2 4.1Å; R91-Y299 HydrophobicContact CG-CE1 3.6Å; R91-Y299 HydrophobicContact CG-CE2 4.1Å; R91-Y299 HydrophobicContact CG-CG 3.85Å
92	N	92.5	Very high	90.7	Very high	47 Å²	47	47.5 Å²	47.5	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-42.1	177.8	-71.9	-14	0	0	0	112.7	S88 K89 M90 S95 G96 R97 E102	S88-N92 PolarHBondContact O-N 3.05Å; K89-N92 PolarHBondContact O-N 3.27Å; M90-N92 VanDerWaalsContact C-N 3.31Å; M90-N92 PolarHBondContact O-N 2.8Å; N92-S95 WeakPolarHBondContact CA-OG 3.5Å; N92-S95 PolarHBondContact O-N 3.1Å; N92-S95 PolarHBondContact O-OG 3.4Å; N92-G96 PolarHBondContact O-N 2.81Å; N92-R97 HydrophobicContact CB-CB 4.18Å; N92-R97 WeakPolarHBondContact O-CB 3.13Å; N92-R97 PolarHBondContact O-N 2.85Å; N92-E102 HydrophobicContact CB-CG 4.23Å; N92-E102 PolarHBondContact ND2-OE2 3.1Å
93	I	90.2	Very high	90.5	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-46	177.1	-71.1	165.2	0	0	0	110	K89 M90 S95 G96 T99 E102 F380 W401	K89-I93 VanDerWaalsContact O-CG1 3.32Å; K89-I93 WeakPolarHBondContact O-CG1 3.33Å; K89-I93 PolarHBondContact O-N 3.37Å; M90-I93 HydrophobicContact CE-CD1 3.61Å; M90-I93 PolarHBondContact O-N 3.42Å; I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 PolarHBondContact O-N 2.95Å; I93-G96 PolarHBondContact O-N 3.11Å; I93-G96 VanDerWaalsContact O-N 3.09Å; I93-T99 HydrophobicContact CD1-CG2 4.13Å; I93-E102 HydrophobicContact CD1-CB 4.36Å; I93-E102 HydrophobicContact CD1-CG 4.46Å; I93-E102 HydrophobicContact CG1-CB 4.41Å; I93-E102 HydrophobicContact CG1-CG 4.02Å; I93-F380 HydrophobicContact CD1-CB 4.13Å; I93-W401 HydrophobicContact CG2-CH2 4.46Å; I93-W401 HydrophobicContact CG2-CZ2 3.73Å; I93-W401 WeakPolarHBondContact O-CH2 3.31Å
94	F	90.4	Very high	90.5	Very high	24 Å²	24	53.3 Å²	53.3	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-25.8	177.3	-74.8	-60.4	0	0	0	113.4	M90 R91 G96 Y299 L300 I304 L379 W401	M90-F94 HydrophobicContact CB-CD2 4.41Å; M90-F94 HydrophobicContact CB-CE2 4.36Å; M90-F94 WeakPolarHBondContact O-CD2 3.2Å; M90-F94 PolarHBondContact O-N 3.01Å; R91-F94 PolarHBondContact O-N 3.44Å; F94-G96 PolarHBondContact O-N 2.86Å; F94-Y299 HydrophobicContact CB-CE1 4.39Å; F94-Y299 AromaticContact CD2-CD1 3.85Å; F94-Y299 HydrophobicContact CD2-CD1 3.85Å; F94-Y299 AromaticContact CD2-CE1 3.85Å; F94-Y299 HydrophobicContact CD2-CE1 3.85Å; F94-Y299 HydrophobicContact CE2-CD1 4.32Å; F94-Y299 HydrophobicContact CG-CE1 4.46Å; F94-L300 HydrophobicContact CE2-CD2 4.32Å; F94-L300 HydrophobicContact CZ-CD2 3.89Å; F94-I304 HydrophobicContact CD1-CG1 4.43Å; F94-I304 HydrophobicContact CE1-CG1 4.12Å; F94-L379 HydrophobicContact CE1-CD2 4.07Å; F94-L379 HydrophobicContact CZ-CD1 4.16Å; F94-L379 HydrophobicContact CZ-CD2 3.82Å; F94-W401 HydrophobicContact CD1-CD2 4.43Å; F94-W401 AromaticContact CD1-CE3 3.77Å; F94-W401 HydrophobicContact CD1-CE3 3.77Å; F94-W401 AromaticContact CD1-CH2 3.92Å; F94-W401 HydrophobicContact CD1-CH2 3.92Å; F94-W401 AromaticContact CD1-CZ3 3.51Å; F94-W401 HydrophobicContact CD1-CZ3 3.51Å; F94-W401 HydrophobicContact CE1-CD2 4.19Å; F94-W401 AromaticContact CE1-CE3 3.82Å; F94-W401 HydrophobicContact CE1-CE3 3.82Å; F94-W401 HydrophobicContact CE1-CZ3 4.06Å
95	S	91.1	Very high	90.5	Very high	97 Å²	97	52.8 Å²	52.8	68%	0.678	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	4.3	173.5	69.1	0	0	0	0	114.2	R91 N92 I93	R91-S95 WeakPolarHBondContact O-CB 3.37Å; R91-S95 PolarHBondContact O-N 3.05Å; R91-S95 PolarHBondContact O-OG 3.23Å; N92-S95 WeakPolarHBondContact CA-OG 3.5Å; N92-S95 PolarHBondContact O-N 3.1Å; N92-S95 PolarHBondContact O-OG 3.4Å; I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 PolarHBondContact O-N 2.95Å
96	G	87.6	Confident	90.4	Very high	55 Å²	55	52 Å²	52	57%	0.567	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.8	2.6	173.1	0	0	0	0	0	115	N92 I93 F94	N92-G96 PolarHBondContact O-N 2.81Å; I93-G96 PolarHBondContact O-N 3.11Å; I93-G96 VanDerWaalsContact O-N 3.09Å; F94-G96 PolarHBondContact O-N 2.86Å
97	R	88.9	Confident	90.4	Very high	127 Å²	127	54 Å²	54	48%	0.479	29%	0.293	S	S	.	.			trans	-66.8	143.3	174.9	-166.1	163.1	170.1	124.7	-8	110.7	N92 T99 E102	N92-R97 HydrophobicContact CB-CB 4.18Å; N92-R97 WeakPolarHBondContact O-CB 3.13Å; N92-R97 PolarHBondContact O-N 2.85Å; R97-T99 PolarHBondContact O-N 2.79Å; R97-E102 WeakPolarHBondContact CD-OE1 3.26Å; R97-E102 IonicContact CZ-OE1 2.61Å; R97-E102 IonicContact NE-OE1 2.6Å; R97-E102 PolarHBondContact NE-OE1 3.1Å; R97-E102 IonicContact NH2-OE1 2.75Å
98	L	87.7	Confident	90.5	Very high	112 Å²	112	55.7 Å²	55.7	59%	0.586	30%	0.303	S	S	*	.			trans	-63.8	124.5	180	-66.9	175.1	0	0	0	110.9	A100 I101	L98-A100 PolarHBondContact O-N 2.94Å; L98-A100 VanDerWaalsContact O-N 3.16Å; L98-I101 HydrophobicContact CB-CD1 4.02Å; L98-I101 HydrophobicContact CB-CG1 4.12Å; L98-I101 HydrophobicContact CD1-CD1 4.22Å; L98-I101 WeakPolarHBondContact O-CB 3.5Å; L98-I101 PolarHBondContact O-N 3.19Å
99	T	86.2	Confident	90.5	Very high	30 Å²	30	54.8 Å²	54.8	18%	0.184	29%	0.293	C	S	.	.	H	α-helix	trans	-54	-36.3	179.1	-50.9	0	0	0	0	112.9	I93 R97 I101 E102 L103 F380	I93-T99 HydrophobicContact CD1-CG2 4.13Å; R97-T99 PolarHBondContact O-N 2.79Å; T99-I101 VanDerWaalsContact C-N 3.29Å; T99-I101 PolarHBondContact O-N 2.93Å; T99-E102 PolarHBondContact O-N 3.14Å; T99-L103 PolarHBondContact O-N 2.94Å; T99-F380 HydrophobicContact CG2-CB 3.73Å
100	A	86.4	Confident	90.6	Very high	59 Å²	59	54.3 Å²	54.3	49%	0.488	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-37.2	178.2	0	0	0	0	0	112.7	L98 L103 F104	L98-A100 PolarHBondContact O-N 2.94Å; L98-A100 VanDerWaalsContact O-N 3.16Å; A100-L103 PolarHBondContact O-N 3.2Å; A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 PolarHBondContact O-N 3.2Å
101	I	88.9	Confident	90.8	Very high	75 Å²	75	55.1 Å²	55.1	39%	0.385	30%	0.296	S	S	.	.	H	α-helix	trans	-67.5	-43.7	179.2	-62.4	175.5	0	0	0	110.2	L98 T99 L103 F104 D105	L98-I101 HydrophobicContact CB-CD1 4.02Å; L98-I101 HydrophobicContact CB-CG1 4.12Å; L98-I101 HydrophobicContact CD1-CD1 4.22Å; L98-I101 WeakPolarHBondContact O-CB 3.5Å; L98-I101 PolarHBondContact O-N 3.19Å; T99-I101 VanDerWaalsContact C-N 3.29Å; T99-I101 PolarHBondContact O-N 2.93Å; I101-L103 VanDerWaalsContact C-N 3.29Å; I101-L103 PolarHBondContact O-N 3.32Å; I101-F104 PolarHBondContact O-N 2.93Å; I101-D105 PolarHBondContact O-N 3.34Å; I101-D105 VanDerWaalsContact O-N 3.13Å
102	E	91.1	Very high	90.9	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.014	29%	0.293	C	S	.	.	H	α-helix	trans	-67.1	-32.6	177.7	-62.1	-46.8	99.6	0	0	112	K89 N92 I93 R97 T99 D105 I106	K89-E102 HydrophobicContact CB-CB 4.34Å; K89-E102 HydrophobicContact CD-CB 4.13Å; K89-E102 HydrophobicContact CD-CG 4.29Å; K89-E102 WeakPolarHBondContact CD-OE2 3.1Å; K89-E102 IonicContact NZ-OE2 3.13Å; K89-E102 PolarHBondContact NZ-OE2 2.83Å; K89-E102 VanDerWaalsContact NZ-OE2 3.1Å; N92-E102 HydrophobicContact CB-CG 4.23Å; N92-E102 PolarHBondContact ND2-OE2 3.1Å; I93-E102 HydrophobicContact CD1-CB 4.36Å; I93-E102 HydrophobicContact CD1-CG 4.46Å; I93-E102 HydrophobicContact CG1-CB 4.41Å; I93-E102 HydrophobicContact CG1-CG 4.02Å; R97-E102 WeakPolarHBondContact CD-OE1 3.26Å; R97-E102 IonicContact CZ-OE1 2.61Å; R97-E102 IonicContact NE-OE1 2.6Å; R97-E102 PolarHBondContact NE-OE1 3.1Å; R97-E102 IonicContact NH2-OE1 2.75Å; T99-E102 PolarHBondContact O-N 3.14Å; E102-D105 PolarHBondContact O-N 3.34Å; E102-I106 WeakPolarHBondContact O-CG1 3.42Å; E102-I106 PolarHBondContact O-N 2.79Å; E102-I106 VanDerWaalsContact O-N 3.14Å
103	L	87.4	Confident	91.1	Very high	67 Å²	67	51.3 Å²	51.3	35%	0.351	28%	0.281	S	S	.	.	H	α-helix	trans	-68	-40.8	174.3	-173.3	62.2	0	0	0	112	T99 A100 I101 D105 I106 L107	T99-L103 PolarHBondContact O-N 2.94Å; A100-L103 PolarHBondContact O-N 3.2Å; I101-L103 VanDerWaalsContact C-N 3.29Å; I101-L103 PolarHBondContact O-N 3.32Å; L103-D105 VanDerWaalsContact C-N 3.28Å; L103-D105 PolarHBondContact O-N 3.45Å; L103-I106 HydrophobicContact CD1-CD1 4.47Å; L103-I106 WeakPolarHBondContact O-CB 3.4Å; L103-I106 PolarHBondContact O-N 2.91Å; L103-L107 WeakPolarHBondContact O-CG 3.32Å; L103-L107 PolarHBondContact O-N 3.41Å; L103-L107 VanDerWaalsContact O-N 3.07Å
104	F	90	Very high	91.4	Very high	99 Å²	99	51.1 Å²	51.1	43%	0.434	28%	0.28	S	S	.	.	H	α-helix	trans	-60.8	-38.2	173.5	-80.8	-62.1	0	0	0	112.2	A100 I101 I106 L107 D108	A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 PolarHBondContact O-N 3.2Å; I101-F104 PolarHBondContact O-N 2.93Å; F104-I106 VanDerWaalsContact C-N 3.34Å; F104-I106 PolarHBondContact O-N 3.06Å; F104-L107 HydrophobicContact CD1-CD1 4.41Å; F104-L107 PolarHBondContact O-N 3.36Å; F104-D108 PolarHBondContact O-N 3.01Å
105	D	92.3	Very high	91.7	Very high	45 Å²	45	52.1 Å²	52.1	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-35.5	176.4	-167	26.9	0	0	0	112.2	K89 I101 E102 L103 D108 H109	K89-D105 WeakPolarHBondContact CE-OD2 3.36Å; K89-D105 IonicContact NZ-OD2 2.79Å; K89-D105 PolarHBondContact NZ-OD2 2.91Å; I101-D105 PolarHBondContact O-N 3.34Å; I101-D105 VanDerWaalsContact O-N 3.13Å; E102-D105 PolarHBondContact O-N 3.34Å; L103-D105 VanDerWaalsContact C-N 3.28Å; L103-D105 PolarHBondContact O-N 3.45Å; D105-D108 PolarHBondContact O-N 3.19Å; D105-H109 PolarHBondContact O-N 2.92Å; D105-H109 VanDerWaalsContact O-N 3.14Å; D105-H109 PolarHBondContact O-ND1 3.4Å; D105-H109 IonicContact OD1-CE1 2.71Å; D105-H109 PolarHBondContact OD1-CE1 2.89Å; D105-H109 IonicContact OD1-ND1 3.89Å; D105-H109 PolarHBondContact OD1-ND1 3.41Å; D105-H109 IonicContact OD2-CE1 3.75Å
106	I	92.2	Very high	91.9	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.046	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-48.3	171	-69.6	165.3	0	0	0	110.6	M30 F31 F85 L86 E102 L103 F104 D108 H109 Y110	M30-I106 HydrophobicContact CE-CG2 4.07Å; M30-I106 HydrophobicContact SD-CG1 4.43Å; M30-I106 HydrophobicContact SD-CG2 3.99Å; F31-I106 HydrophobicContact CE2-CG2 4.49Å; F31-I106 HydrophobicContact CZ-CD1 4.42Å; F85-I106 HydrophobicContact CE1-CG1 3.96Å; L86-I106 HydrophobicContact CD2-CD1 4.45Å; E102-I106 WeakPolarHBondContact O-CG1 3.42Å; E102-I106 PolarHBondContact O-N 2.79Å; E102-I106 VanDerWaalsContact O-N 3.14Å; L103-I106 HydrophobicContact CD1-CD1 4.47Å; L103-I106 WeakPolarHBondContact O-CB 3.4Å; L103-I106 PolarHBondContact O-N 2.91Å; F104-I106 VanDerWaalsContact C-N 3.34Å; F104-I106 PolarHBondContact O-N 3.06Å; I106-D108 VanDerWaalsContact C-N 3.3Å; I106-D108 PolarHBondContact O-N 3.26Å; I106-H109 PolarHBondContact O-N 3.12Å; I106-H109 VanDerWaalsContact O-N 3.15Å; I106-Y110 HydrophobicContact CG2-CD2 4.41Å; I106-Y110 HydrophobicContact CG2-CE2 3.78Å; I106-Y110 PolarHBondContact O-N 3.27Å; I106-Y110 VanDerWaalsContact O-N 3.12Å
107	L	91.9	Very high	92.3	Very high	49 Å²	49	48.7 Å²	48.7	26%	0.257	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-35.4	179.4	-64.9	176.3	0	0	0	112.6	L103 F104 H109 Y110 T111	L103-L107 WeakPolarHBondContact O-CG 3.32Å; L103-L107 PolarHBondContact O-N 3.41Å; L103-L107 VanDerWaalsContact O-N 3.07Å; F104-L107 HydrophobicContact CD1-CD1 4.41Å; F104-L107 PolarHBondContact O-N 3.36Å; L107-H109 VanDerWaalsContact C-N 3.32Å; L107-Y110 HydrophobicContact CD2-CD2 4.12Å; L107-Y110 HydrophobicContact CD2-CE2 4.45Å; L107-Y110 PolarHBondContact O-N 3.43Å; L107-T111 PolarHBondContact O-N 3.06Å; L107-T111 VanDerWaalsContact O-N 3.11Å; L107-T111 PolarHBondContact O-OG1 3.33Å; L107-T111 VanDerWaalsContact O-OG1 3.08Å
108	D	93.7	Very high	92.6	Very high	53 Å²	53	42.9 Å²	42.9	28%	0.283	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-37.6	174.8	-79.8	-13	0	0	0	112	F104 D105 I106 T111 K112 K214	F104-D108 PolarHBondContact O-N 3.01Å; D105-D108 PolarHBondContact O-N 3.19Å; I106-D108 VanDerWaalsContact C-N 3.3Å; I106-D108 PolarHBondContact O-N 3.26Å; D108-T111 WeakPolarHBondContact O-CB 3.37Å; D108-T111 PolarHBondContact O-N 3.17Å; D108-K112 WeakPolarHBondContact O-CG 3.39Å; D108-K112 PolarHBondContact O-N 3.45Å; D108-K214 IonicContact OD1-NZ 3.92Å; D108-K214 PolarHBondContact OD1-NZ 3.42Å
109	H	95.1	Very high	93	Very high	32 Å²	32	38.6 Å²	38.6	15%	0.148	21%	0.208	C	C	.	.	H	α-helix	trans	-70.9	-33.5	176.1	-76.7	80.2	0	0	0	112.6	M30 I76 F77 F85 D105 I106 L107 T111 K112 N113	M30-H109 HydrophobicContact CE-CB 3.43Å; M30-H109 VanDerWaalsContact CE-CB 3.43Å; I76-H109 HydrophobicContact CD1-CB 3.85Å; I76-H109 VanDerWaalsContact CD1-O 3.27Å; I76-H109 WeakPolarHBondContact CD1-O 3.01Å; F77-H109 HydrophobicContact CE2-CB 4.16Å; F77-H109 AromaticContact CE2-CD2 3.99Å; F77-H109 AromaticContact CZ-CD2 3.63Å; F85-H109 AromaticContact CE2-CE1 3.5Å; F85-H109 VanDerWaalsContact CE2-CE1 3.5Å; F85-H109 WeakPolarHBondContact CE2-CE1 3.2Å; F85-H109 AromaticContact CE2-ND1 3.87Å; F85-H109 AromaticContact CE2-NE2 3.79Å; F85-H109 AromaticContact CZ-CE1 3.66Å; F85-H109 AromaticContact CZ-CG 3.95Å; F85-H109 AromaticContact CZ-ND1 3.52Å; D105-H109 PolarHBondContact O-N 2.92Å; D105-H109 VanDerWaalsContact O-N 3.14Å; D105-H109 PolarHBondContact O-ND1 3.4Å; D105-H109 IonicContact OD1-CE1 2.71Å; D105-H109 PolarHBondContact OD1-CE1 2.89Å; D105-H109 IonicContact OD1-ND1 3.89Å; D105-H109 PolarHBondContact OD1-ND1 3.41Å; D105-H109 IonicContact OD2-CE1 3.75Å; I106-H109 PolarHBondContact O-N 3.12Å; I106-H109 VanDerWaalsContact O-N 3.15Å; L107-H109 VanDerWaalsContact C-N 3.32Å; H109-T111 VanDerWaalsContact C-N 3.34Å; H109-K112 PolarHBondContact O-N 2.88Å; H109-N113 WeakPolarHBondContact O-CB 3.44Å; H109-N113 PolarHBondContact O-N 3.22Å
110	Y	95.1	Very high	93.5	Very high	6 Å²	6	39.1 Å²	39.1	2%	0.024	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-45.2	168.8	-65.5	-33.2	0	0	0	111.7	P28 I29 M30 F31 I106 L107 K112 N113 C114 N140 D141	P28-Y110 HydrophobicContact CB-CE1 4.29Å; I29-Y110 HydrophobicContact CD1-CD1 3.91Å; I29-Y110 HydrophobicContact CD1-CE1 4.4Å; I29-Y110 HydrophobicContact CG1-CD1 3.78Å; I29-Y110 HydrophobicContact CG1-CE1 3.78Å; M30-Y110 HydrophobicContact CE-CD1 4Å; M30-Y110 HydrophobicContact CE-CE1 3.82Å; M30-Y110 HydrophobicContact CG-CE1 4.06Å; M30-Y110 HydrophobicContact SD-CE1 4.32Å; F31-Y110 WeakPolarHBondContact CD2-OH 3.22Å; F31-Y110 VanDerWaalsContact CE2-OH 3.22Å; F31-Y110 WeakPolarHBondContact CE2-OH 3.25Å; I106-Y110 HydrophobicContact CG2-CD2 4.41Å; I106-Y110 HydrophobicContact CG2-CE2 3.78Å; I106-Y110 PolarHBondContact O-N 3.27Å; I106-Y110 VanDerWaalsContact O-N 3.12Å; L107-Y110 HydrophobicContact CD2-CD2 4.12Å; L107-Y110 HydrophobicContact CD2-CE2 4.45Å; L107-Y110 PolarHBondContact O-N 3.43Å; Y110-K112 PolarHBondContact O-N 2.99Å; Y110-N113 PolarHBondContact O-N 3.41Å; Y110-C114 PolarHBondContact O-N 3.46Å; Y110-N140 WeakPolarHBondContact CD2-O 3.35Å; Y110-N140 WeakPolarHBondContact CE2-O 3.32Å; Y110-D141 HydrophobicContact CD1-CB 4.39Å; Y110-D141 HydrophobicContact CD2-CB 4.49Å; Y110-D141 HydrophobicContact CG-CB 4.3Å
111	T	95.4	Very high	93.9	Very high	21 Å²	21	42.2 Å²	42.2	13%	0.129	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-46.8	176.7	-56.3	0	0	0	0	111.7	L107 D108 H109 N113 C114 D115 K214 I218	L107-T111 PolarHBondContact O-N 3.06Å; L107-T111 VanDerWaalsContact O-N 3.11Å; L107-T111 PolarHBondContact O-OG1 3.33Å; L107-T111 VanDerWaalsContact O-OG1 3.08Å; D108-T111 WeakPolarHBondContact O-CB 3.37Å; D108-T111 PolarHBondContact O-N 3.17Å; H109-T111 VanDerWaalsContact C-N 3.34Å; T111-N113 PolarHBondContact O-N 2.91Å; T111-C114 VanDerWaalsContact O-CB 3.31Å; T111-C114 WeakPolarHBondContact O-CB 3.38Å; T111-C114 PolarHBondContact O-N 3.31Å; T111-C114 VanDerWaalsContact O-N 3.14Å; T111-D115 PolarHBondContact O-N 3.07Å; T111-K214 HydrophobicContact CG2-CB 3.78Å; T111-I218 HydrophobicContact CG2-CD1 3.84Å; T111-I218 WeakPolarHBondContact O-CD1 3.36Å
112	K	95.6	Very high	94.2	Very high	109 Å²	109	42.2 Å²	42.2	47%	0.474	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-42.6	177.8	-72.6	169.7	-175	170.6	0	112.2	D108 H109 Y110 C114 D115 M116	D108-K112 WeakPolarHBondContact O-CG 3.39Å; D108-K112 PolarHBondContact O-N 3.45Å; H109-K112 PolarHBondContact O-N 2.88Å; Y110-K112 PolarHBondContact O-N 2.99Å; K112-C114 VanDerWaalsContact C-N 3.28Å; K112-C114 PolarHBondContact O-N 3.39Å; K112-D115 WeakPolarHBondContact O-CB 3.32Å; K112-D115 PolarHBondContact O-N 2.87Å; K112-M116 PolarHBondContact O-N 3.29Å
113	N	95.8	Very high	94.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-36.9	175.5	-177.9	78.4	0	0	0	111.7	I29 Y73 I76 H109 Y110 T111 M116 M117	I29-N113 HydrophobicContact CD1-CB 3.48Å; I29-N113 VanDerWaalsContact CD1-CB 3.48Å; I29-N113 WeakPolarHBondContact CG2-ND2 3.39Å; Y73-N113 WeakPolarHBondContact CE2-OD1 3.11Å; Y73-N113 VanDerWaalsContact OH-CG 3.31Å; Y73-N113 PolarHBondContact OH-ND2 3.45Å; Y73-N113 PolarHBondContact OH-OD1 3.45Å; I76-N113 HydrophobicContact CD1-CB 3.94Å; I76-N113 HydrophobicContact CG1-CB 3.95Å; I76-N113 HydrophobicContact CG2-CB 4.47Å; H109-N113 WeakPolarHBondContact O-CB 3.44Å; H109-N113 PolarHBondContact O-N 3.22Å; Y110-N113 PolarHBondContact O-N 3.41Å; T111-N113 PolarHBondContact O-N 2.91Å; N113-M116 PolarHBondContact O-N 2.94Å; N113-M117 WeakPolarHBondContact ND2-CE 3.43Å; N113-M117 WeakPolarHBondContact O-CG 3.25Å; N113-M117 PolarHBondContact O-N 3.24Å
114	C	96.4	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-44.3	174.5	-167.4	0	0	0	0	112.5	Y110 T111 K112 M116 M117 V118 C143 Y215 I218	Y110-C114 PolarHBondContact O-N 3.46Å; T111-C114 VanDerWaalsContact O-CB 3.31Å; T111-C114 WeakPolarHBondContact O-CB 3.38Å; T111-C114 PolarHBondContact O-N 3.31Å; T111-C114 VanDerWaalsContact O-N 3.14Å; K112-C114 VanDerWaalsContact C-N 3.28Å; K112-C114 PolarHBondContact O-N 3.39Å; C114-M116 VanDerWaalsContact C-N 3.27Å; C114-M116 PolarHBondContact O-N 2.92Å; C114-M117 PolarHBondContact O-N 3.4Å; C114-M117 VanDerWaalsContact O-N 3.17Å; C114-V118 WeakPolarHBondContact O-CB 3.43Å; C114-V118 WeakPolarHBondContact O-CG2 3.47Å; C114-V118 PolarHBondContact O-N 2.89Å; C114-C143 WeakPolarHBondContact CA-SG 3.27Å; C114-C143 HydrophobicContact CB-CB 3.49Å; C114-C143 VanDerWaalsContact CB-CB 3.49Å; C114-C143 WeakPolarHBondContact CB-SG 3.45Å; C114-C143 VanDerWaalsContact SG-CA 3.52Å; C114-C143 WeakPolarHBondContact SG-CB 3.28Å; C114-C143 CovalentContact SG-SG 2.03Å; C114-C143 PolarHBondContact SG-SG 2.97Å; C114-Y215 HydrophobicContact CB-CD1 4.24Å; C114-Y215 HydrophobicContact CB-CE1 3.92Å; C114-I218 HydrophobicContact CB-CD1 4.05Å
115	D	96.6	Very high	95.1	Very high	46 Å²	46	40.7 Å²	40.7	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-42.3	175.9	-171.1	49.8	0	0	0	111.3	T111 K112 G119 I218 K221 Y222	T111-D115 PolarHBondContact O-N 3.07Å; K112-D115 WeakPolarHBondContact O-CB 3.32Å; K112-D115 PolarHBondContact O-N 2.87Å; D115-G119 PolarHBondContact O-N 2.9Å; D115-I218 HydrophobicContact CB-CD1 3.97Å; D115-I218 HydrophobicContact CB-CG1 4.14Å; D115-K221 IonicContact OD1-NZ 2.71Å; D115-K221 PolarHBondContact OD1-NZ 3.43Å; D115-K221 IonicContact OD2-NZ 3.18Å; D115-K221 PolarHBondContact OD2-NZ 3.07Å; D115-Y222 PolarHBondContact O-OH 3.35Å; D115-Y222 VanDerWaalsContact OD1-CE2 3.25Å; D115-Y222 WeakPolarHBondContact OD1-CE2 3.16Å; D115-Y222 PolarHBondContact OD1-OH 3Å
116	M	95.3	Very high	95.3	Very high	79 Å²	79	39.8 Å²	39.8	39%	0.389	22%	0.219	S	C	.	.	H	α-helix	trans	-65.6	-42.5	175.6	-68.2	-178.6	73	0	0	113.4	P74 I76 K112 N113 C114 N120	P74-M116 VanDerWaalsContact O-CE 3.25Å; P74-M116 WeakPolarHBondContact O-CE 3.38Å; I76-M116 HydrophobicContact CB-SD 4.43Å; I76-M116 HydrophobicContact CG2-SD 3.25Å; I76-M116 WeakPolarHBondContact CG2-SD 3.41Å; K112-M116 PolarHBondContact O-N 3.29Å; N113-M116 PolarHBondContact O-N 2.94Å; C114-M116 VanDerWaalsContact C-N 3.27Å; C114-M116 PolarHBondContact O-N 2.92Å; M116-N120 PolarHBondContact O-N 3.41Å
117	M	95.8	Very high	95.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-48.4	178.3	-73.4	-170	-62.5	0	0	111.5	L55 Y73 N113 C114 G119 N120 L123 C143 I147	L55-M117 HydrophobicContact CD2-SD 4.1Å; L55-M117 HydrophobicContact CG-SD 4.45Å; Y73-M117 HydrophobicContact CD1-CG 4.2Å; Y73-M117 HydrophobicContact CD1-SD 4.11Å; Y73-M117 HydrophobicContact CD2-CG 3.56Å; Y73-M117 HydrophobicContact CD2-SD 4.4Å; Y73-M117 HydrophobicContact CE1-CG 3.95Å; Y73-M117 HydrophobicContact CE1-SD 3.47Å; Y73-M117 WeakPolarHBondContact CE1-SD 3.48Å; Y73-M117 HydrophobicContact CE2-CG 3.28Å; Y73-M117 HydrophobicContact CE2-SD 3.82Å; Y73-M117 HydrophobicContact CG-CG 4.04Å; N113-M117 WeakPolarHBondContact ND2-CE 3.43Å; N113-M117 WeakPolarHBondContact O-CG 3.25Å; N113-M117 PolarHBondContact O-N 3.24Å; C114-M117 PolarHBondContact O-N 3.4Å; C114-M117 VanDerWaalsContact O-N 3.17Å; M117-G119 VanDerWaalsContact C-N 3.34Å; M117-N120 PolarHBondContact O-N 3.38Å; M117-L123 HydrophobicContact CB-CD2 4.46Å; M117-C143 HydrophobicContact CE-CB 3.7Å; M117-C143 WeakPolarHBondContact CE-SG 2.88Å; M117-I147 HydrophobicContact CB-CD1 4.44Å
118	V	96.3	Very high	95.7	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-38.7	-179	175.4	0	0	0	0	110.9	C114 N120 V146 I147 L150 I218 Y222 L224	C114-V118 WeakPolarHBondContact O-CB 3.43Å; C114-V118 WeakPolarHBondContact O-CG2 3.47Å; C114-V118 PolarHBondContact O-N 2.89Å; V118-N120 PolarHBondContact O-N 3.49Å; V118-V146 HydrophobicContact CG2-CG1 3.75Å; V118-I147 HydrophobicContact CG2-CD1 4.27Å; V118-L150 HydrophobicContact CG1-CD1 4.1Å; V118-L150 HydrophobicContact CG2-CD1 4.13Å; V118-I218 HydrophobicContact CB-CG2 3.99Å; V118-I218 HydrophobicContact CG1-CG2 4.09Å; V118-I218 HydrophobicContact CG2-CG2 4.14Å; V118-Y222 HydrophobicContact CB-CD2 4.15Å; V118-Y222 HydrophobicContact CB-CE2 4.32Å; V118-Y222 HydrophobicContact CG1-CD2 3.43Å; V118-Y222 VanDerWaalsContact CG1-CD2 3.43Å; V118-Y222 HydrophobicContact CG1-CE2 4.07Å; V118-Y222 HydrophobicContact CG1-CG 3.86Å; V118-L224 HydrophobicContact CG1-CD1 4.33Å; V118-L224 HydrophobicContact CG1-CD2 4.41Å
119	G	95.5	Very high	95.8	Very high	22 Å²	22	47.7 Å²	47.7	23%	0.227	25%	0.248	C	C	.	.	H	α-helix	trans	-70.7	-13.3	177.5	0	0	0	0	0	115.3	D115 M117 H121 Y222	D115-G119 PolarHBondContact O-N 2.9Å; M117-G119 VanDerWaalsContact C-N 3.34Å; G119-H121 PolarHBondContact O-N 3.18Å; G119-Y222 WeakPolarHBondContact CA-OH 3.13Å
120	N	96.2	Very high	95.8	Very high	40 Å²	40	49.9 Å²	49.9	21%	0.214	26%	0.258	C	S	.	.			trans	-84.6	89.4	177.4	-171.2	-28.4	0	0	0	110.9	M116 M117 V118 A122 L123 I124	M116-N120 PolarHBondContact O-N 3.41Å; M117-N120 PolarHBondContact O-N 3.38Å; V118-N120 PolarHBondContact O-N 3.49Å; N120-A122 VanDerWaalsContact C-N 3.29Å; N120-A122 PolarHBondContact O-N 2.88Å; N120-A122 PolarHBondContact OD1-N 3.39Å; N120-L123 HydrophobicContact CB-CB 3.86Å; N120-L123 HydrophobicContact CB-CD2 4.41Å; N120-L123 WeakPolarHBondContact O-CB 3.29Å; N120-L123 PolarHBondContact O-N 3.47Å; N120-L123 PolarHBondContact OD1-N 2.83Å; N120-I124 WeakPolarHBondContact O-CG1 3.32Å; N120-I124 PolarHBondContact O-N 3.36Å
121	H	94.4	Very high	95.7	Very high	125 Å²	125	57.9 Å²	57.9	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-58.1	-37.4	-179.2	-68.1	-63.2	0	0	0	113.8	G119 I124 Q125	G119-H121 PolarHBondContact O-N 3.18Å; H121-I124 PolarHBondContact O-N 2.84Å; H121-Q125 WeakPolarHBondContact O-CB 3.48Å; H121-Q125 VanDerWaalsContact O-CG 3.26Å; H121-Q125 WeakPolarHBondContact O-CG 3.48Å; H121-Q125 PolarHBondContact O-N 2.76Å
122	A	95.8	Very high	95.8	Very high	74 Å²	74	57.6 Å²	57.6	61%	0.612	29%	0.29	S	S	*	.	H	α-helix	trans	-64.9	-43	178.8	0	0	0	0	0	111.3	N120 G126	N120-A122 VanDerWaalsContact C-N 3.29Å; N120-A122 PolarHBondContact O-N 2.88Å; N120-A122 PolarHBondContact OD1-N 3.39Å; A122-G126 PolarHBondContact O-N 3.48Å
123	L	96.1	Very high	95.9	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-53.7	173.9	175.6	68.5	0	0	0	111.2	L55 Q71 Y73 M117 N120 Q125 G126 L127	L55-L123 HydrophobicContact CD1-CD1 3.88Å; L55-L123 HydrophobicContact CD1-CD2 4.33Å; Q71-L123 HydrophobicContact CG-CD1 3.81Å; Y73-L123 HydrophobicContact CG-CD2 4.09Å; M117-L123 HydrophobicContact CB-CD2 4.46Å; N120-L123 HydrophobicContact CB-CB 3.86Å; N120-L123 HydrophobicContact CB-CD2 4.41Å; N120-L123 WeakPolarHBondContact O-CB 3.29Å; N120-L123 PolarHBondContact O-N 3.47Å; N120-L123 PolarHBondContact OD1-N 2.83Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-Q125 PolarHBondContact O-N 3.25Å; L123-G126 PolarHBondContact O-N 2.87Å; L123-G126 VanDerWaalsContact O-N 3.15Å; L123-L127 HydrophobicContact CD1-CD1 4.19Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.04Å; L123-L127 HydrophobicContact CG-CG 4.44Å; L123-L127 WeakPolarHBondContact O-CG 3.17Å; L123-L127 PolarHBondContact O-N 2.84Å
124	I	95.8	Very high	96	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-41.2	-177	-61.3	-55.2	0	0	0	111.1	N120 H121 L127 K128 I147 L150	N120-I124 WeakPolarHBondContact O-CG1 3.32Å; N120-I124 PolarHBondContact O-N 3.36Å; H121-I124 PolarHBondContact O-N 2.84Å; I124-L127 HydrophobicContact CD1-CD1 4.46Å; I124-L127 PolarHBondContact O-N 3.46Å; I124-K128 HydrophobicContact CG2-CD 4.47Å; I124-K128 WeakPolarHBondContact O-CG 3.39Å; I124-K128 PolarHBondContact O-N 3.44Å; I124-I147 HydrophobicContact CD1-CD1 3.83Å; I124-L150 HydrophobicContact CD1-CD1 3.89Å; I124-L150 HydrophobicContact CG1-CD1 4.34Å; I124-L150 HydrophobicContact CG2-CD1 4.48Å
125	Q	95.3	Very high	96	Very high	116 Å²	116	55.9 Å²	55.9	54%	0.542	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-40.1	175.1	-73.9	-178.7	5.7	0	0	112.3	H121 L123 K128 K129	H121-Q125 WeakPolarHBondContact O-CB 3.48Å; H121-Q125 VanDerWaalsContact O-CG 3.26Å; H121-Q125 WeakPolarHBondContact O-CG 3.48Å; H121-Q125 PolarHBondContact O-N 2.76Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-Q125 PolarHBondContact O-N 3.25Å; Q125-K128 PolarHBondContact O-N 2.79Å; Q125-K129 WeakPolarHBondContact O-CG 3.48Å; Q125-K129 PolarHBondContact O-N 3.49Å
126	G	96.1	Very high	96.1	Very high	26 Å²	26	53.7 Å²	53.7	27%	0.268	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-51.3	173.2	0	0	0	0	0	111.5	A122 L123 K128 K129 E130	A122-G126 PolarHBondContact O-N 3.48Å; L123-G126 PolarHBondContact O-N 2.87Å; L123-G126 VanDerWaalsContact O-N 3.15Å; G126-K128 VanDerWaalsContact C-N 3.29Å; G126-K128 PolarHBondContact O-N 3.43Å; G126-K129 WeakPolarHBondContact O-CB 3.24Å; G126-K129 PolarHBondContact O-N 2.88Å; G126-E130 PolarHBondContact O-N 3.41Å
127	L	96.7	Very high	96	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-37.3	177.8	-70.1	176.8	0	0	0	112.9	I24 L55 Q71 L123 I124 K129 E130 F132 I147 L151	I24-L127 HydrophobicContact CD1-CD2 3.61Å; L55-L127 HydrophobicContact CD1-CD1 4.33Å; L55-L127 HydrophobicContact CD2-CD1 4.06Å; Q71-L127 HydrophobicContact CB-CD2 4.36Å; Q71-L127 HydrophobicContact CG-CD2 3.8Å; L123-L127 HydrophobicContact CD1-CD1 4.19Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.04Å; L123-L127 HydrophobicContact CG-CG 4.44Å; L123-L127 WeakPolarHBondContact O-CG 3.17Å; L123-L127 PolarHBondContact O-N 2.84Å; I124-L127 HydrophobicContact CD1-CD1 4.46Å; I124-L127 PolarHBondContact O-N 3.46Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 2.82Å; L127-E130 PolarHBondContact O-N 2.91Å; L127-F132 HydrophobicContact CB-CE2 4.41Å; L127-F132 HydrophobicContact CD2-CE2 3.9Å; L127-F132 HydrophobicContact CD2-CZ 4.19Å; L127-F132 WeakPolarHBondContact O-CE2 3.43Å; L127-I147 HydrophobicContact CD1-CG2 4.49Å; L127-L151 HydrophobicContact CB-CD1 4.18Å; L127-L151 HydrophobicContact CB-CD2 3.63Å
128	K	95.9	Very high	95.9	Very high	114 Å²	114	49.9 Å²	49.9	50%	0.496	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-36.5	174.7	-76.8	-179.2	174.7	-172.3	0	112.7	I124 Q125 G126 E130 L150 L151	I124-K128 HydrophobicContact CG2-CD 4.47Å; I124-K128 WeakPolarHBondContact O-CG 3.39Å; I124-K128 PolarHBondContact O-N 3.44Å; Q125-K128 PolarHBondContact O-N 2.79Å; G126-K128 VanDerWaalsContact C-N 3.29Å; G126-K128 PolarHBondContact O-N 3.43Å; K128-E130 VanDerWaalsContact C-N 3.31Å; K128-L150 WeakPolarHBondContact CE-O 3.43Å; K128-L150 PolarHBondContact NZ-O 2.91Å; K128-L151 HydrophobicContact CB-CD2 4.47Å; K128-L151 HydrophobicContact CG-CD2 3.64Å
129	K	95.9	Very high	95.7	Very high	162 Å²	162	50.1 Å²	50.1	70%	0.704	26%	0.258	S	S	*	.	H	α-helix	trans	-69.4	-30.1	179.1	-70.4	172.5	-176	179.7	0	112.4	Q125 G126 L127 K131	Q125-K129 WeakPolarHBondContact O-CG 3.48Å; Q125-K129 PolarHBondContact O-N 3.49Å; G126-K129 WeakPolarHBondContact O-CB 3.24Å; G126-K129 PolarHBondContact O-N 2.88Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 2.82Å; K129-K131 PolarHBondContact O-N 3.4Å
130	E	94.8	Very high	95.3	Very high	78 Å²	78	51.7 Å²	51.7	36%	0.364	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.5	-178.2	-70.6	-67.3	119.1	0	0	114.1	K22 G126 L127 K128 F132	K22-E130 WeakPolarHBondContact CD-O 3.46Å; K22-E130 VanDerWaalsContact CE-OE2 3.24Å; K22-E130 WeakPolarHBondContact CE-OE2 3.3Å; K22-E130 PolarHBondContact NZ-O 3.26Å; K22-E130 IonicContact NZ-OE2 3.01Å; K22-E130 PolarHBondContact NZ-OE2 2.93Å; G126-E130 PolarHBondContact O-N 3.41Å; L127-E130 PolarHBondContact O-N 2.91Å; K128-E130 VanDerWaalsContact C-N 3.31Å; E130-F132 HydrophobicContact CB-CD2 4.19Å; E130-F132 HydrophobicContact CB-CE1 4.25Å; E130-F132 HydrophobicContact CB-CE2 3.47Å; E130-F132 VanDerWaalsContact CB-CE2 3.47Å; E130-F132 HydrophobicContact CB-CZ 3.51Å; E130-F132 HydrophobicContact CG-CE2 4.21Å; E130-F132 HydrophobicContact CG-CZ 4Å
131	K	94.1	Very high	95	Very high	173 Å²	173	49.8 Å²	49.8	75%	0.752	25%	0.25	S	S	*	.			trans	50.7	76	179.6	-64.4	-178.3	-179.9	-179.9	0	113.8	K129	K129-K131 PolarHBondContact O-N 3.4Å
132	F	97.4	Very high	95	Very high	15 Å²	15	44.8 Å²	44.8	7%	0.066	23%	0.227	C	C	.	.			trans	-77.9	147	176.6	-59.4	-78.3	0	0	0	112.6	K22 I24 V53 L127 E130 L151 V153	K22-F132 HydrophobicContact CB-CD1 4.4Å; K22-F132 HydrophobicContact CD-CD1 4.08Å; K22-F132 HydrophobicContact CD-CE1 4.14Å; K22-F132 HydrophobicContact CG-CD1 3.76Å; K22-F132 HydrophobicContact CG-CE1 4Å; I24-F132 HydrophobicContact CB-CD1 3.62Å; I24-F132 HydrophobicContact CB-CD2 4.24Å; I24-F132 HydrophobicContact CB-CE1 3.74Å; I24-F132 HydrophobicContact CB-CE2 4.31Å; I24-F132 HydrophobicContact CB-CG 3.9Å; I24-F132 HydrophobicContact CB-CZ 4.08Å; I24-F132 HydrophobicContact CD1-CD2 4.35Å; I24-F132 HydrophobicContact CD1-CE1 4.42Å; I24-F132 HydrophobicContact CD1-CE2 3.85Å; I24-F132 HydrophobicContact CD1-CZ 3.9Å; I24-F132 HydrophobicContact CG1-CE1 4.46Å; I24-F132 HydrophobicContact CG1-CZ 4.41Å; I24-F132 HydrophobicContact CG2-CB 3.98Å; I24-F132 HydrophobicContact CG2-CD1 3.92Å; I24-F132 HydrophobicContact CG2-CD2 3.99Å; I24-F132 HydrophobicContact CG2-CE1 4.44Å; I24-F132 HydrophobicContact CG2-CE2 4.48Å; I24-F132 HydrophobicContact CG2-CG 3.68Å; V53-F132 HydrophobicContact CB-CE1 3.83Å; V53-F132 HydrophobicContact CB-CZ 4.34Å; V53-F132 HydrophobicContact CG1-CE1 4.36Å; V53-F132 HydrophobicContact CG1-CZ 4.38Å; V53-F132 HydrophobicContact CG2-CE1 3.65Å; V53-F132 HydrophobicContact CG2-CZ 4.38Å; L127-F132 HydrophobicContact CB-CE2 4.41Å; L127-F132 HydrophobicContact CD2-CE2 3.9Å; L127-F132 HydrophobicContact CD2-CZ 4.19Å; L127-F132 WeakPolarHBondContact O-CE2 3.43Å; E130-F132 HydrophobicContact CB-CD2 4.19Å; E130-F132 HydrophobicContact CB-CE1 4.25Å; E130-F132 HydrophobicContact CB-CE2 3.47Å; E130-F132 VanDerWaalsContact CB-CE2 3.47Å; E130-F132 HydrophobicContact CB-CZ 3.51Å; E130-F132 HydrophobicContact CG-CE2 4.21Å; E130-F132 HydrophobicContact CG-CZ 4Å; F132-L151 HydrophobicContact CD2-CD1 4.16Å; F132-V153 HydrophobicContact CB-CG1 4.29Å; F132-V153 HydrophobicContact CB-CG2 4.17Å; F132-V153 WeakPolarHBondContact O-CG2 3.41Å
133	D	96.9	Very high	95	Very high	73 Å²	73	41.2 Å²	41.2	39%	0.39	20%	0.198	S	C	.	.	S	Bend	trans	-89.2	-31.7	176.3	-63.9	-71.6	0	0	0	112.4	A21 K22	A21-D133 VanDerWaalsContact CA-OD2 3.32Å; A21-D133 WeakPolarHBondContact CA-OD2 3.45Å; A21-D133 HydrophobicContact CB-CB 4.01Å; K22-D133 PolarHBondContact N-OD2 3Å; K22-D133 PolarHBondContact O-N 2.93Å
134	L	97.7	Very high	95	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	145.7	-177.1	-173.1	72.1	0	0	0	110.8	I23 I24 L136 K154 I448 I451 I452	I23-L134 WeakPolarHBondContact CA-O 3.49Å; I23-L134 HydrophobicContact CG1-CB 4.32Å; I23-L134 HydrophobicContact CG2-CB 4.47Å; I24-L134 PolarHBondContact N-O 2.93Å; L134-L136 HydrophobicContact CD2-CD2 3.95Å; L134-L136 HydrophobicContact CG-CD2 4.44Å; L134-K154 CarbonylContact C-O 3.5Å; L134-K154 WeakPolarHBondContact CA-O 3.35Å; L134-K154 HydrophobicContact CD1-CB 4.4Å; L134-I448 HydrophobicContact CD2-CG2 3.81Å; L134-I451 HydrophobicContact CD1-CG2 3.77Å; L134-I452 HydrophobicContact CD2-CG1 4.44Å
135	L	98	Very high	95	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.7	168.4	-171.8	153.3	0	0	0	110.5	I24 V26 V137 I147 A148 V153 K154 Y155 A156	I24-L135 HydrophobicContact CG2-CB 3.74Å; I24-L135 HydrophobicContact CG2-CD1 3.71Å; I24-L135 HydrophobicContact CG2-CG 3.7Å; I24-L135 CarbonylContact O-C 3.51Å; I24-L135 VanDerWaalsContact O-CA 3.26Å; I24-L135 WeakPolarHBondContact O-CA 3.37Å; V26-L135 HydrophobicContact CG2-CD1 4.21Å; V26-L135 HydrophobicContact CG2-CD2 4.45Å; L135-V137 HydrophobicContact CD2-CB 4.35Å; L135-V137 HydrophobicContact CD2-CG2 3.25Å; L135-I147 HydrophobicContact CD1-CB 4.3Å; L135-I147 HydrophobicContact CD1-CG2 3.88Å; L135-A148 HydrophobicContact CB-CB 4.32Å; L135-A148 HydrophobicContact CD1-CB 4Å; L135-A148 HydrophobicContact CD2-CB 4.25Å; L135-A148 HydrophobicContact CG-CB 4.43Å; L135-V153 HydrophobicContact CB-CG1 4.11Å; L135-K154 PolarHBondContact N-O 3.15Å; L135-Y155 WeakPolarHBondContact O-CA 3.35Å; L135-Y155 VanDerWaalsContact O-CB 3.23Å; L135-Y155 WeakPolarHBondContact O-CB 3.22Å; L135-A156 PolarHBondContact O-N 2.99Å
136	L	97.4	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123	169.9	-57.5	-176.4	0	0	0	110.3	I23 I24 I25 V26 L134 A156 M241 I448	I23-L136 HydrophobicContact CG2-CD1 4.36Å; I23-L136 HydrophobicContact CG2-CG 4.02Å; I24-L136 PolarHBondContact O-N 3.49Å; I25-L136 HydrophobicContact CD1-CD1 3.9Å; I25-L136 HydrophobicContact CG1-CB 4.11Å; I25-L136 HydrophobicContact CG1-CD1 4.06Å; I25-L136 HydrophobicContact CG1-CG 4.26Å; V26-L136 PolarHBondContact N-O 3.01Å; L134-L136 HydrophobicContact CD2-CD2 3.95Å; L134-L136 HydrophobicContact CG-CD2 4.44Å; L136-A156 WeakPolarHBondContact CA-O 3.27Å; L136-A156 HydrophobicContact CD2-CB 4.1Å; L136-M241 HydrophobicContact CD2-CE 4.11Å; L136-I448 HydrophobicContact CD1-CD1 3.9Å; L136-I448 HydrophobicContact CD2-CD1 4.36Å; L136-I448 HydrophobicContact CD2-CG1 4.31Å
137	V	94.8	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.5	-179.5	-176.8	0	0	0	0	109.8	L135 F145 Y155 A156 V157 F158	L135-V137 HydrophobicContact CD2-CB 4.35Å; L135-V137 HydrophobicContact CD2-CG2 3.25Å; V137-F145 HydrophobicContact CB-CD1 4.47Å; V137-F145 HydrophobicContact CB-CE1 4.19Å; V137-F145 HydrophobicContact CB-CZ 4.31Å; V137-F145 HydrophobicContact CG1-CD1 4.08Å; V137-F145 HydrophobicContact CG1-CD2 3.8Å; V137-F145 HydrophobicContact CG1-CE1 3.9Å; V137-F145 HydrophobicContact CG1-CE2 3.61Å; V137-F145 HydrophobicContact CG1-CG 4.02Å; V137-F145 HydrophobicContact CG1-CZ 3.67Å; V137-F145 HydrophobicContact CG2-CD1 4.09Å; V137-F145 HydrophobicContact CG2-CE1 4.22Å; V137-Y155 HydrophobicContact CG2-CD2 4.17Å; V137-Y155 HydrophobicContact CG2-CG 4.37Å; V137-A156 PolarHBondContact N-O 3.22Å; V137-V157 HydrophobicContact CB-CG2 4.48Å; V137-V157 CarbonylContact O-C 3.59Å; V137-V157 WeakPolarHBondContact O-CA 3.46Å; V137-F158 PolarHBondContact O-N 2.94Å
138	D	93.4	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.			trans	-94.4	119.2	164.2	-169.9	-32.6	0	0	0	108.9	P28 H34 F38 N140 D141 F158 T160	P28-D138 WeakPolarHBondContact CD-OD2 3.38Å; P28-D138 HydrophobicContact CG-CB 3.88Å; P28-D138 VanDerWaalsContact CG-CG 3.48Å; P28-D138 WeakPolarHBondContact CG-OD2 3.38Å; H34-D138 IonicContact ND1-OD2 3.72Å; H34-D138 PolarHBondContact ND1-OD2 2.98Å; F38-D138 HydrophobicContact CE2-CB 4.3Å; F38-D138 HydrophobicContact CZ-CB 4.12Å; D138-N140 PolarHBondContact O-N 3.41Å; D138-N140 VanDerWaalsContact O-N 3.13Å; D138-N140 WeakPolarHBondContact OD1-CB 3.49Å; D138-N140 PolarHBondContact OD1-N 3.44Å; D138-N140 VanDerWaalsContact OD1-N 3.09Å; D138-N140 PolarHBondContact OD1-ND2 3.39Å; D138-D141 CarbonylContact O-C 3.34Å; D138-D141 VanDerWaalsContact O-C 3.28Å; D138-D141 PolarHBondContact O-N 3.03Å; D138-F158 WeakPolarHBondContact CA-O 3.06Å; D138-T160 PolarHBondContact OD1-OG1 2.63Å; D138-T160 WeakPolarHBondContact OD2-CB 3.35Å; D138-T160 WeakPolarHBondContact OD2-CG2 3.38Å; D138-T160 PolarHBondContact OD2-OG1 2.83Å
139	P	90.9	Very high	95.3	Very high	11 Å²	11	29.1 Å²	29.1	7%	0.071	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.7	-174.2	30.8	-32.4	0	0	0	113.2	D141 V157 W163 W240	P139-D141 VanDerWaalsContact C-N 3.28Å; P139-V157 HydrophobicContact CB-CG1 4.1Å; P139-V157 HydrophobicContact CG-CG1 3.77Å; P139-W163 HydrophobicContact CG-CD2 4.49Å; P139-W163 HydrophobicContact CG-CE3 4.34Å; P139-W240 HydrophobicContact CB-CZ3 4.39Å
140	N	87.6	Confident	95.3	Very high	54 Å²	54	22.5 Å²	22.5	29%	0.289	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-32.3	170.6	-65.5	-63.8	0	0	0	111.9	P28 Y110 D138 T160	P28-N140 HydrophobicContact CG-CB 4.44Å; Y110-N140 WeakPolarHBondContact CD2-O 3.35Å; Y110-N140 WeakPolarHBondContact CE2-O 3.32Å; D138-N140 PolarHBondContact O-N 3.41Å; D138-N140 VanDerWaalsContact O-N 3.13Å; D138-N140 WeakPolarHBondContact OD1-CB 3.49Å; D138-N140 PolarHBondContact OD1-N 3.44Å; D138-N140 VanDerWaalsContact OD1-N 3.09Å; D138-N140 PolarHBondContact OD1-ND2 3.39Å; N140-T160 PolarHBondContact ND2-OG1 3.01Å
141	D	90.6	Very high	95.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-119.6	94.7	172.5	-171.3	-23.8	0	0	0	109.4	P28 Y110 D138 P139 C143	P28-D141 HydrophobicContact CB-CB 4.27Å; P28-D141 HydrophobicContact CG-CB 4.24Å; Y110-D141 HydrophobicContact CD1-CB 4.39Å; Y110-D141 HydrophobicContact CD2-CB 4.49Å; Y110-D141 HydrophobicContact CG-CB 4.3Å; D138-D141 CarbonylContact O-C 3.34Å; D138-D141 VanDerWaalsContact O-C 3.28Å; D138-D141 PolarHBondContact O-N 3.03Å; P139-D141 VanDerWaalsContact C-N 3.28Å; D141-C143 PolarHBondContact O-N 2.98Å; D141-C143 WeakPolarHBondContact OD1-CB 3.43Å; D141-C143 PolarHBondContact OD1-N 3.41Å
142	M	93	Very high	95.3	Very high	20 Å²	20	15.2 Å²	15.2	10%	0.099	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-3.5	-171.7	-64.2	-176.9	172.3	0	0	114	G144 F145 V211 L212 Y215 M230	M142-G144 PolarHBondContact O-N 3.29Å; M142-F145 HydrophobicContact CB-CD2 4.03Å; M142-F145 HydrophobicContact CG-CD2 4.38Å; M142-F145 HydrophobicContact CG-CE2 4.39Å; M142-F145 WeakPolarHBondContact O-CB 3.42Å; M142-F145 WeakPolarHBondContact O-CD2 3.38Å; M142-F145 PolarHBondContact O-N 3.16Å; M142-F145 VanDerWaalsContact O-N 3.13Å; M142-V211 HydrophobicContact CE-CG1 4.17Å; M142-V211 HydrophobicContact SD-CG1 3.82Å; M142-L212 HydrophobicContact CE-CD2 4.29Å; M142-L212 HydrophobicContact SD-CD2 3.74Å; M142-Y215 HydrophobicContact CB-CD1 4.44Å; M142-Y215 HydrophobicContact CB-CD2 4.24Å; M142-Y215 HydrophobicContact CB-CE1 4.05Å; M142-Y215 HydrophobicContact CB-CE2 3.84Å; M142-Y215 HydrophobicContact CG-CE2 4.39Å; M142-Y215 HydrophobicContact SD-CD2 4.5Å; M142-Y215 HydrophobicContact SD-CE2 4.26Å; M142-M230 HydrophobicContact CB-CE 4.07Å
143	C	95.9	Very high	95.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.8	-27.3	-180	-158.1	0	0	0	0	113.1	C114 M117 D141 F145 V146 I147 Y215	C114-C143 WeakPolarHBondContact CA-SG 3.27Å; C114-C143 HydrophobicContact CB-CB 3.49Å; C114-C143 VanDerWaalsContact CB-CB 3.49Å; C114-C143 WeakPolarHBondContact CB-SG 3.45Å; C114-C143 VanDerWaalsContact SG-CA 3.52Å; C114-C143 WeakPolarHBondContact SG-CB 3.28Å; C114-C143 CovalentContact SG-SG 2.03Å; C114-C143 PolarHBondContact SG-SG 2.97Å; M117-C143 HydrophobicContact CE-CB 3.7Å; M117-C143 WeakPolarHBondContact CE-SG 2.88Å; D141-C143 PolarHBondContact O-N 2.98Å; D141-C143 WeakPolarHBondContact OD1-CB 3.43Å; D141-C143 PolarHBondContact OD1-N 3.41Å; C143-F145 PolarHBondContact O-N 3.31Å; C143-V146 WeakPolarHBondContact O-CB 3.15Å; C143-V146 PolarHBondContact O-N 3.18Å; C143-I147 WeakPolarHBondContact O-CG1 3.29Å; C143-I147 PolarHBondContact O-N 3.46Å; C143-Y215 HydrophobicContact CB-CE1 4.36Å
144	G	96.3	Very high	95.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54.9	-34.6	175.2	0	0	0	0	0	113	M142 A148	M142-G144 PolarHBondContact O-N 3.29Å; G144-A148 WeakPolarHBondContact O-CB 3.43Å; G144-A148 PolarHBondContact O-N 2.86Å
145	F	96.8	Very high	95.1	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-64.4	-44	174.2	-65.1	-65.1	0	0	0	112	V137 M142 C143 A148 H149 Y155 V157 M230 L233 V234 S237 W240	V137-F145 HydrophobicContact CB-CD1 4.47Å; V137-F145 HydrophobicContact CB-CE1 4.19Å; V137-F145 HydrophobicContact CB-CZ 4.31Å; V137-F145 HydrophobicContact CG1-CD1 4.08Å; V137-F145 HydrophobicContact CG1-CD2 3.8Å; V137-F145 HydrophobicContact CG1-CE1 3.9Å; V137-F145 HydrophobicContact CG1-CE2 3.61Å; V137-F145 HydrophobicContact CG1-CG 4.02Å; V137-F145 HydrophobicContact CG1-CZ 3.67Å; V137-F145 HydrophobicContact CG2-CD1 4.09Å; V137-F145 HydrophobicContact CG2-CE1 4.22Å; M142-F145 HydrophobicContact CB-CD2 4.03Å; M142-F145 HydrophobicContact CG-CD2 4.38Å; M142-F145 HydrophobicContact CG-CE2 4.39Å; M142-F145 WeakPolarHBondContact O-CB 3.42Å; M142-F145 WeakPolarHBondContact O-CD2 3.38Å; M142-F145 PolarHBondContact O-N 3.16Å; M142-F145 VanDerWaalsContact O-N 3.13Å; C143-F145 PolarHBondContact O-N 3.31Å; F145-A148 PolarHBondContact O-N 3.11Å; F145-H149 PolarHBondContact O-N 3.37Å; F145-Y155 AromaticContact CD1-CD2 3.77Å; F145-Y155 HydrophobicContact CD1-CD2 3.77Å; F145-Y155 AromaticContact CD1-CE2 3.46Å; F145-Y155 HydrophobicContact CD1-CE2 3.46Å; F145-Y155 VanDerWaalsContact CD1-CE2 3.46Å; F145-Y155 AromaticContact CE1-CD2 3.93Å; F145-Y155 HydrophobicContact CE1-CD2 3.93Å; F145-Y155 AromaticContact CE1-CE2 3.75Å; F145-Y155 HydrophobicContact CE1-CE2 3.75Å; F145-V157 HydrophobicContact CE1-CG2 3.63Å; F145-V157 HydrophobicContact CZ-CG2 3.62Å; F145-M230 HydrophobicContact CB-CE 4.23Å; F145-M230 HydrophobicContact CD2-CE 4.49Å; F145-L233 HydrophobicContact CB-CB 4.15Å; F145-V234 HydrophobicContact CD2-CG2 4.16Å; F145-V234 HydrophobicContact CE2-CG2 4.14Å; F145-V234 HydrophobicContact CZ-CG1 4.27Å; F145-V234 HydrophobicContact CZ-CG2 4.49Å; F145-S237 WeakPolarHBondContact CE1-OG 3.14Å; F145-W240 HydrophobicContact CZ-CH2 4.21Å
146	V	97.6	Very high	95	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.8	-44.3	178.7	-176.7	0	0	0	0	110.7	V118 C143 H149 L150 Y215 M219 L224 M230	V118-V146 HydrophobicContact CG2-CG1 3.75Å; C143-V146 WeakPolarHBondContact O-CB 3.15Å; C143-V146 PolarHBondContact O-N 3.18Å; V146-H149 WeakPolarHBondContact O-CB 3.26Å; V146-H149 PolarHBondContact O-N 3.09Å; V146-L150 HydrophobicContact CG1-CD1 4.42Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.24Å; V146-Y215 HydrophobicContact CG2-CD1 4.44Å; V146-M219 HydrophobicContact CG1-CG 4.01Å; V146-M219 HydrophobicContact CG2-CG 4.23Å; V146-M219 HydrophobicContact CG2-SD 4.22Å; V146-L224 HydrophobicContact CG1-CD1 3.77Å; V146-M230 HydrophobicContact CG2-CE 4.28Å; V146-M230 HydrophobicContact CG2-SD 3.54Å; V146-M230 VanDerWaalsContact CG2-SD 3.54Å
147	I	97.3	Very high	95	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-44.3	176.1	-61.3	-57.3	0	0	0	110.6	M117 V118 I124 L127 L135 C143 H149 L150 L151	M117-I147 HydrophobicContact CB-CD1 4.44Å; V118-I147 HydrophobicContact CG2-CD1 4.27Å; I124-I147 HydrophobicContact CD1-CD1 3.83Å; L127-I147 HydrophobicContact CD1-CG2 4.49Å; L135-I147 HydrophobicContact CD1-CB 4.3Å; L135-I147 HydrophobicContact CD1-CG2 3.88Å; C143-I147 WeakPolarHBondContact O-CG1 3.29Å; C143-I147 PolarHBondContact O-N 3.46Å; I147-H149 VanDerWaalsContact C-N 3.28Å; I147-H149 PolarHBondContact O-N 2.86Å; I147-L150 HydrophobicContact CD1-CD1 4.21Å; I147-L150 WeakPolarHBondContact O-CB 3.34Å; I147-L150 PolarHBondContact O-N 2.92Å; I147-L151 HydrophobicContact CG2-CD1 3.84Å; I147-L151 HydrophobicContact CG2-CG 4.2Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.11Å; I147-L151 PolarHBondContact O-N 3.15Å
148	A	96.9	Very high	95	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.9	-41.3	177.7	0	0	0	0	0	112.1	L135 G144 F145 L151 G152 V153 Y155	L135-A148 HydrophobicContact CB-CB 4.32Å; L135-A148 HydrophobicContact CD1-CB 4Å; L135-A148 HydrophobicContact CD2-CB 4.25Å; L135-A148 HydrophobicContact CG-CB 4.43Å; G144-A148 WeakPolarHBondContact O-CB 3.43Å; G144-A148 PolarHBondContact O-N 2.86Å; F145-A148 PolarHBondContact O-N 3.11Å; A148-L151 PolarHBondContact O-N 3.35Å; A148-G152 PolarHBondContact O-N 3.01Å; A148-V153 PolarHBondContact O-N 2.89Å; A148-V153 VanDerWaalsContact O-N 3.07Å; A148-Y155 HydrophobicContact CB-CD1 3.35Å; A148-Y155 HydrophobicContact CB-CE1 4.01Å; A148-Y155 HydrophobicContact CB-CG 3.82Å
149	H	96.9	Very high	95	Very high	23 Å²	23	16.2 Å²	16.2	11%	0.106	10%	0.099	C	C	.	.	H	α-helix	trans	-61.6	-47.2	175	178.2	58.6	0	0	0	112.2	F145 V146 I147 L151 G152 P226 L233	F145-H149 PolarHBondContact O-N 3.37Å; V146-H149 WeakPolarHBondContact O-CB 3.26Å; V146-H149 PolarHBondContact O-N 3.09Å; I147-H149 VanDerWaalsContact C-N 3.28Å; I147-H149 PolarHBondContact O-N 2.86Å; H149-L151 VanDerWaalsContact C-N 3.29Å; H149-L151 PolarHBondContact O-N 3.34Å; H149-G152 PolarHBondContact O-N 3.27Å; H149-G152 VanDerWaalsContact O-N 3.13Å; H149-P226 PolarHBondContact CE1-O 3.45Å; H149-P226 PolarHBondContact NE2-O 3.38Å; H149-P226 VanDerWaalsContact NE2-O 3.09Å; H149-L233 HydrophobicContact CB-CD1 3.85Å; H149-L233 HydrophobicContact CB-CD2 3.81Å
150	L	95.9	Very high	95	Very high	24 Å²	24	15.8 Å²	15.8	13%	0.126	10%	0.096	C	C	.	.	H	α-helix	trans	-57.1	-41.1	176.1	-82.5	170.1	0	0	0	113.2	V118 I124 K128 V146 I147 G152 L224	V118-L150 HydrophobicContact CG1-CD1 4.1Å; V118-L150 HydrophobicContact CG2-CD1 4.13Å; I124-L150 HydrophobicContact CD1-CD1 3.89Å; I124-L150 HydrophobicContact CG1-CD1 4.34Å; I124-L150 HydrophobicContact CG2-CD1 4.48Å; K128-L150 WeakPolarHBondContact CE-O 3.43Å; K128-L150 PolarHBondContact NZ-O 2.91Å; V146-L150 HydrophobicContact CG1-CD1 4.42Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.24Å; I147-L150 HydrophobicContact CD1-CD1 4.21Å; I147-L150 WeakPolarHBondContact O-CB 3.34Å; I147-L150 PolarHBondContact O-N 2.92Å; L150-G152 VanDerWaalsContact C-N 3.33Å; L150-L224 HydrophobicContact CD1-CD1 4.2Å; L150-L224 HydrophobicContact CD2-CD1 3.78Å; L150-L224 HydrophobicContact CD2-CD2 3.42Å; L150-L224 VanDerWaalsContact CD2-CD2 3.42Å; L150-L224 HydrophobicContact CD2-CG 4.12Å; L150-L224 HydrophobicContact CG-CD1 3.85Å; L150-L224 HydrophobicContact CG-CD2 4.37Å
151	L	95.9	Very high	94.9	Very high	25 Å²	25	13.6 Å²	13.6	13%	0.131	9%	0.086	C	C	.	.	H	α-helix	trans	-81.2	-14.1	-178.5	-59.5	-177.4	0	0	0	112.7	L127 K128 F132 I147 A148 H149 V153	L127-L151 HydrophobicContact CB-CD1 4.18Å; L127-L151 HydrophobicContact CB-CD2 3.63Å; K128-L151 HydrophobicContact CB-CD2 4.47Å; K128-L151 HydrophobicContact CG-CD2 3.64Å; F132-L151 HydrophobicContact CD2-CD1 4.16Å; I147-L151 HydrophobicContact CG2-CD1 3.84Å; I147-L151 HydrophobicContact CG2-CG 4.2Å; I147-L151 VanDerWaalsContact O-CG 3.27Å; I147-L151 WeakPolarHBondContact O-CG 3.11Å; I147-L151 PolarHBondContact O-N 3.15Å; A148-L151 PolarHBondContact O-N 3.35Å; H149-L151 VanDerWaalsContact C-N 3.29Å; H149-L151 PolarHBondContact O-N 3.34Å; L151-V153 HydrophobicContact CB-CB 4.16Å; L151-V153 HydrophobicContact CB-CG2 3.78Å; L151-V153 PolarHBondContact O-N 3Å
152	G	94.9	Very high	94.5	Very high	72 Å²	72	13.9 Å²	13.9	74%	0.742	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	26.2	-172.4	0	0	0	0	0	112.9	A148 H149 L150	A148-G152 PolarHBondContact O-N 3.01Å; H149-G152 PolarHBondContact O-N 3.27Å; H149-G152 VanDerWaalsContact O-N 3.13Å; L150-G152 VanDerWaalsContact C-N 3.33Å
153	V	95.5	Very high	93.7	Very high	20 Å²	20	15.2 Å²	15.2	12%	0.121	9%	0.091	C	C	.	.			trans	-100.5	144.9	-172.8	167.3	0	0	0	0	110.3	F132 L135 A148 L151	F132-V153 HydrophobicContact CB-CG1 4.29Å; F132-V153 HydrophobicContact CB-CG2 4.17Å; F132-V153 WeakPolarHBondContact O-CG2 3.41Å; L135-V153 HydrophobicContact CB-CG1 4.11Å; A148-V153 PolarHBondContact O-N 2.89Å; A148-V153 VanDerWaalsContact O-N 3.07Å; L151-V153 HydrophobicContact CB-CB 4.16Å; L151-V153 HydrophobicContact CB-CG2 3.78Å; L151-V153 PolarHBondContact O-N 3Å
154	K	95.3	Very high	93.2	Very high	68 Å²	68	16.5 Å²	16.5	30%	0.296	10%	0.096	S	C	.	.			trans	-69.7	147.1	174.5	-67.4	-178	179.3	-176.8	0	109.9	L134 L135 N455	L134-K154 CarbonylContact C-O 3.5Å; L134-K154 WeakPolarHBondContact CA-O 3.35Å; L134-K154 HydrophobicContact CD1-CB 4.4Å; L135-K154 PolarHBondContact N-O 3.15Å; K154-N455 PolarHBondContact NZ-ND2 3.05Å; K154-N455 VanDerWaalsContact NZ-ND2 3.12Å; K154-N455 PolarHBondContact NZ-O 3.3Å; K154-N455 PolarHBondContact NZ-OD1 3.4Å
155	Y	96.8	Very high	92.7	Very high	22 Å²	22	16.5 Å²	16.5	9%	0.086	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.3	-179.6	53.8	-81.6	0	0	0	112.5	L135 V137 F145 A148 L233 G236 S237 S238	L135-Y155 WeakPolarHBondContact O-CA 3.35Å; L135-Y155 VanDerWaalsContact O-CB 3.23Å; L135-Y155 WeakPolarHBondContact O-CB 3.22Å; V137-Y155 HydrophobicContact CG2-CD2 4.17Å; V137-Y155 HydrophobicContact CG2-CG 4.37Å; F145-Y155 AromaticContact CD1-CD2 3.77Å; F145-Y155 HydrophobicContact CD1-CD2 3.77Å; F145-Y155 AromaticContact CD1-CE2 3.46Å; F145-Y155 HydrophobicContact CD1-CE2 3.46Å; F145-Y155 VanDerWaalsContact CD1-CE2 3.46Å; F145-Y155 AromaticContact CE1-CD2 3.93Å; F145-Y155 HydrophobicContact CE1-CD2 3.93Å; F145-Y155 AromaticContact CE1-CE2 3.75Å; F145-Y155 HydrophobicContact CE1-CE2 3.75Å; A148-Y155 HydrophobicContact CB-CD1 3.35Å; A148-Y155 HydrophobicContact CB-CE1 4.01Å; A148-Y155 HydrophobicContact CB-CG 3.82Å; Y155-L233 VanDerWaalsContact CE2-O 3.31Å; Y155-L233 WeakPolarHBondContact CE2-O 3.39Å; Y155-L233 VanDerWaalsContact CZ-O 3.27Å; Y155-L233 WeakPolarHBondContact OH-CA 3.26Å; Y155-L233 PolarHBondContact OH-O 3.01Å; Y155-G236 WeakPolarHBondContact OH-CA 3.48Å; Y155-S237 WeakPolarHBondContact CE2-OG 3.31Å; Y155-S238 WeakPolarHBondContact O-CB 3.42Å; Y155-S238 PolarHBondContact O-N 3.27Å; Y155-S238 PolarHBondContact O-OG 3.04Å; Y155-S238 VanDerWaalsContact O-OG 3.13Å
156	A	96.2	Very high	92.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.7	172	0	0	0	0	0	108.3	L135 L136 V137 M241 I451	L135-A156 PolarHBondContact O-N 2.99Å; L136-A156 WeakPolarHBondContact CA-O 3.27Å; L136-A156 HydrophobicContact CD2-CB 4.1Å; V137-A156 PolarHBondContact N-O 3.22Å; A156-M241 HydrophobicContact CB-CE 3.86Å; A156-I451 HydrophobicContact CB-CD1 3.52Å
157	V	95.4	Very high	91.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.1	178.5	-177.1	0	0	0	0	109	V137 P139 F145 S237 L239 W240 M241	V137-V157 HydrophobicContact CB-CG2 4.48Å; V137-V157 CarbonylContact O-C 3.59Å; V137-V157 WeakPolarHBondContact O-CA 3.46Å; P139-V157 HydrophobicContact CB-CG1 4.1Å; P139-V157 HydrophobicContact CG-CG1 3.77Å; F145-V157 HydrophobicContact CE1-CG2 3.63Å; F145-V157 HydrophobicContact CZ-CG2 3.62Å; V157-S237 WeakPolarHBondContact CG2-OG 3.42Å; V157-L239 PolarHBondContact N-O 2.81Å; V157-W240 HydrophobicContact CB-CD2 3.88Å; V157-W240 HydrophobicContact CB-CE3 3.4Å; V157-W240 HydrophobicContact CB-CH2 4.42Å; V157-W240 HydrophobicContact CB-CZ3 3.71Å; V157-W240 HydrophobicContact CG1-CD2 4.37Å; V157-W240 HydrophobicContact CG1-CE3 3.41Å; V157-W240 VanDerWaalsContact CG1-CE3 3.41Å; V157-W240 HydrophobicContact CG1-CH2 4.42Å; V157-W240 HydrophobicContact CG1-CZ3 3.45Å; V157-W240 VanDerWaalsContact CG1-CZ3 3.45Å; V157-W240 HydrophobicContact CG2-CD2 3.98Å; V157-W240 HydrophobicContact CG2-CE3 3.68Å; V157-W240 HydrophobicContact CG2-CH2 3.8Å; V157-W240 HydrophobicContact CG2-CZ2 4.05Å; V157-W240 HydrophobicContact CG2-CZ3 3.58Å; V157-M241 WeakPolarHBondContact O-CB 3.23Å; V157-M241 PolarHBondContact O-N 3.43Å
158	F	95.4	Very high	90.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	102.3	168	-170.3	-77.9	0	0	0	108.1	I37 F38 L41 V137 D138 T160 M241 C243 V261 I264 T444	I37-F158 HydrophobicContact CG2-CD1 4.36Å; I37-F158 HydrophobicContact CG2-CE1 3.48Å; I37-F158 VanDerWaalsContact CG2-CE1 3.48Å; I37-F158 HydrophobicContact CG2-CZ 3.83Å; F38-F158 HydrophobicContact CE1-CB 4.13Å; F38-F158 AromaticContact CE1-CD1 3.97Å; F38-F158 HydrophobicContact CE1-CD1 3.97Å; F38-F158 HydrophobicContact CE1-CG 4.18Å; F38-F158 HydrophobicContact CZ-CB 4.45Å; F38-F158 HydrophobicContact CZ-CD1 4.13Å; L41-F158 HydrophobicContact CD1-CD2 3.9Å; L41-F158 HydrophobicContact CD1-CE1 4.39Å; L41-F158 HydrophobicContact CD1-CE2 3.69Å; L41-F158 HydrophobicContact CD1-CG 4.34Å; L41-F158 HydrophobicContact CD1-CZ 3.98Å; V137-F158 PolarHBondContact O-N 2.94Å; D138-F158 WeakPolarHBondContact CA-O 3.06Å; F158-T160 HydrophobicContact CD1-CG2 3.9Å; F158-T160 HydrophobicContact CE1-CG2 4Å; F158-T160 PolarHBondContact O-N 3.41Å; F158-M241 CarbonylContact C-O 3.6Å; F158-M241 WeakPolarHBondContact CA-O 3.27Å; F158-M241 HydrophobicContact CB-CE 4.34Å; F158-M241 HydrophobicContact CD2-CB 3.91Å; F158-M241 HydrophobicContact CD2-CE 4.26Å; F158-M241 HydrophobicContact CD2-SD 4.37Å; F158-M241 HydrophobicContact CE2-CB 4.39Å; F158-C243 HydrophobicContact CE1-CB 4.19Å; F158-C243 HydrophobicContact CZ-CB 4.26Å; F158-V261 HydrophobicContact CE2-CG2 3.71Å; F158-V261 HydrophobicContact CZ-CG2 4.15Å; F158-I264 HydrophobicContact CE2-CD1 4.47Å; F158-I264 HydrophobicContact CE2-CG1 4.48Å; F158-I264 HydrophobicContact CZ-CD1 4.24Å; F158-I264 HydrophobicContact CZ-CG1 3.79Å; F158-T444 HydrophobicContact CD2-CG2 3.89Å; F158-T444 HydrophobicContact CE2-CG2 3.62Å
159	S	93	Very high	89.4	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.4	179.7	-169	0	0	0	0	110.6	G161 M241 C243	S159-G161 PolarHBondContact OG-O 2.78Å; S159-M241 PolarHBondContact N-O 3.09Å; S159-C243 WeakPolarHBondContact O-CA 3.28Å; S159-C243 WeakPolarHBondContact O-CB 3.4Å; S159-C243 PolarHBondContact O-N 3.45Å
160	T	91.3	Very high	89.1	Confident	3 Å²	3	18.8 Å²	18.8	2%	0.018	12%	0.116	C	C	.	.			trans	-85.7	-12.8	-179.4	50.1	0	0	0	0	113.8	H34 I37 F38 D138 N140 F158	H34-T160 HydrophobicContact CB-CG2 4.34Å; H34-T160 PolarHBondContact CE1-OG1 3.24Å; H34-T160 WeakPolarHBondContact ND1-CB 3.25Å; H34-T160 PolarHBondContact ND1-OG1 2.99Å; I37-T160 HydrophobicContact CD1-CG2 3.95Å; I37-T160 HydrophobicContact CG2-CG2 4.47Å; F38-T160 HydrophobicContact CE2-CG2 3.8Å; F38-T160 HydrophobicContact CZ-CG2 3.99Å; D138-T160 PolarHBondContact OD1-OG1 2.63Å; D138-T160 WeakPolarHBondContact OD2-CB 3.35Å; D138-T160 WeakPolarHBondContact OD2-CG2 3.38Å; D138-T160 PolarHBondContact OD2-OG1 2.83Å; N140-T160 PolarHBondContact ND2-OG1 3.01Å; F158-T160 HydrophobicContact CD1-CG2 3.9Å; F158-T160 HydrophobicContact CE1-CG2 4Å; F158-T160 PolarHBondContact O-N 3.41Å
161	G	85.1	Confident	88.8	Confident	7 Å²	7	19.2 Å²	19.2	7%	0.072	12%	0.12	C	C	.	.	S	Bend	trans	-112.4	173.7	176.8	0	0	0	0	0	112.1	S159 W163	S159-G161 PolarHBondContact OG-O 2.78Å; G161-W163 PolarHBondContact O-N 2.83Å
162	L	81.9	Confident	88.5	Confident	6 Å²	6	19 Å²	19	3%	0.031	12%	0.122	C	C	.	.	S	Bend	trans	-74.1	96.9	176.4	-165	66.8	0	0	0	110.4	F180 E249 L361 D382 D385	L162-F180 HydrophobicContact CB-CE2 4.26Å; L162-F180 VanDerWaalsContact O-CD2 3.31Å; L162-F180 WeakPolarHBondContact O-CD2 3.46Å; L162-F180 WeakPolarHBondContact O-CE2 3.48Å; L162-E249 WeakPolarHBondContact CD1-OE1 3.18Å; L162-L361 HydrophobicContact CD1-CD1 4.17Å; L162-D382 HydrophobicContact CB-CB 3.75Å; L162-D382 PolarHBondContact N-OD2 2.88Å; L162-D385 HydrophobicContact CD2-CB 3.56Å
163	W	77.3	Confident	88.5	Confident	48 Å²	48	17.3 Å²	17.3	18%	0.182	10%	0.098	C	C	.	.			trans	-148.3	147.5	-176.1	179.8	92.7	0	0	0	111.2	P139 G161 P165 E167 W240 L242	P139-W163 HydrophobicContact CG-CD2 4.49Å; P139-W163 HydrophobicContact CG-CE3 4.34Å; G161-W163 PolarHBondContact O-N 2.83Å; W163-P165 HydrophobicContact CH2-CB 3.51Å; W163-P165 HydrophobicContact CH2-CG 4.5Å; W163-P165 VanDerWaalsContact CZ3-CA 3.44Å; W163-P165 HydrophobicContact CZ3-CB 3.44Å; W163-P165 VanDerWaalsContact CZ3-CB 3.44Å; W163-P165 HydrophobicContact CZ3-CG 3.96Å; W163-E167 HydrophobicContact CH2-CG 4.44Å; W163-E167 HydrophobicContact CZ2-CG 3.99Å; W163-E167 WeakPolarHBondContact CZ2-OE1 3.36Å; W163-E167 VanDerWaalsContact CZ2-OE2 3.29Å; W163-E167 WeakPolarHBondContact CZ2-OE2 3.45Å; W163-E167 PolarHBondContact NE1-OE1 3.37Å; W163-W240 HydrophobicContact CE3-CE3 4.44Å; W163-W240 HydrophobicContact CE3-CZ3 4.34Å; W163-W240 AromaticContact CH2-CE3 3.61Å; W163-W240 HydrophobicContact CH2-CE3 3.61Å; W163-W240 AromaticContact CH2-CH2 3.5Å; W163-W240 HydrophobicContact CH2-CH2 3.5Å; W163-W240 HydrophobicContact CH2-CZ2 4.47Å; W163-W240 AromaticContact CH2-CZ3 2.98Å; W163-W240 HydrophobicContact CH2-CZ3 2.98Å; W163-W240 HydrophobicContact CZ2-CH2 4.43Å; W163-W240 HydrophobicContact CZ2-CZ3 4.07Å; W163-W240 HydrophobicContact CZ3-CD2 4.33Å; W163-W240 AromaticContact CZ3-CE3 3.3Å; W163-W240 HydrophobicContact CZ3-CE3 3.3Å; W163-W240 HydrophobicContact CZ3-CH2 4.12Å; W163-W240 AromaticContact CZ3-CZ3 3.16Å; W163-W240 HydrophobicContact CZ3-CZ3 3.16Å; W163-L242 HydrophobicContact CE3-CD2 4.12Å; W163-L242 HydrophobicContact CZ3-CD2 4.34Å
164	Y	85.9	Confident	88.4	Confident	28 Å²	28	18 Å²	18	11%	0.11	10%	0.101	C	C	.	.			trans	-129.9	132.7	179.5	-172.6	-96.3	0	0	0	111.7	A166 A170 P171 L242 R252 P253 T254 V258	Y164-A166 HydrophobicContact CD1-CB 4.32Å; Y164-A166 PolarHBondContact O-N 3.45Å; Y164-A170 HydrophobicContact CD1-CB 4.4Å; Y164-A170 HydrophobicContact CE1-CB 3.56Å; Y164-P171 VanDerWaalsContact CE1-O 3.26Å; Y164-P171 WeakPolarHBondContact CE1-O 3.43Å; Y164-P171 PolarHBondContact OH-O 2.93Å; Y164-L242 HydrophobicContact CD2-CD1 3.87Å; Y164-L242 HydrophobicContact CE2-CD1 4.39Å; Y164-R252 VanDerWaalsContact CD1-NH2 3.27Å; Y164-R252 VanDerWaalsContact CE1-CZ 3.42Å; Y164-R252 HydrophobicContact CE2-CG 4.42Å; Y164-R252 VanDerWaalsContact CG-CZ 3.49Å; Y164-R252 VanDerWaalsContact CG-NH1 3.27Å; Y164-P253 PolarHBondContact OH-O 2.95Å; Y164-T254 WeakPolarHBondContact OH-CA 3.12Å; Y164-V258 HydrophobicContact CE2-CG1 4.4Å
165	P	85.6	Confident	88.4	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.111	C	C	.	.			trans	-73.4	47.4	-171.1	24	-30	0	0	0	116.1	W163 E167 V168 A170 W240 V258	W163-P165 HydrophobicContact CH2-CB 3.51Å; W163-P165 HydrophobicContact CH2-CG 4.5Å; W163-P165 VanDerWaalsContact CZ3-CA 3.44Å; W163-P165 HydrophobicContact CZ3-CB 3.44Å; W163-P165 VanDerWaalsContact CZ3-CB 3.44Å; W163-P165 HydrophobicContact CZ3-CG 3.96Å; P165-E167 VanDerWaalsContact C-N 3.27Å; P165-E167 WeakPolarHBondContact CA-OE2 3.48Å; P165-E167 PolarHBondContact O-N 2.93Å; P165-V168 HydrophobicContact CB-CG2 3.41Å; P165-V168 VanDerWaalsContact CB-CG2 3.41Å; P165-V168 WeakPolarHBondContact O-CG2 3.19Å; P165-V168 PolarHBondContact O-N 3.13Å; P165-A170 HydrophobicContact CB-CB 4.24Å; P165-A170 HydrophobicContact CG-CB 3.93Å; P165-A170 WeakPolarHBondContact O-CB 3.38Å; P165-A170 PolarHBondContact O-N 3.25Å; P165-W240 HydrophobicContact CB-CD2 3.94Å; P165-W240 HydrophobicContact CB-CE3 4.06Å; P165-W240 HydrophobicContact CB-CG 4.29Å; P165-W240 HydrophobicContact CB-CZ3 4.43Å; P165-W240 HydrophobicContact CG-CB 4.31Å; P165-W240 HydrophobicContact CG-CD2 4.32Å; P165-W240 HydrophobicContact CG-CG 4.24Å; P165-V258 HydrophobicContact CG-CG1 3.92Å; P165-V258 HydrophobicContact CG-CG2 3.7Å
166	A	85.1	Confident	88.2	Confident	10 Å²	10	21.3 Å²	21.3	8%	0.083	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-63.7	-32.3	178.8	0	0	0	0	0	112.8	Y164 V168 G169 A172 Y200	Y164-A166 HydrophobicContact CD1-CB 4.32Å; Y164-A166 PolarHBondContact O-N 3.45Å; A166-V168 PolarHBondContact O-N 3.24Å; A166-G169 PolarHBondContact O-N 3.39Å; A166-G169 VanDerWaalsContact O-N 3.08Å; A166-A172 HydrophobicContact CB-CB 3.81Å; A166-Y200 HydrophobicContact CB-CE2 4.36Å
167	E	77.1	Confident	88.2	Confident	30 Å²	30	21.6 Å²	21.6	14%	0.14	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-59.8	-31.3	176.5	45.9	-87.4	-90.5	0	0	112.1	W163 P165 G169 R204 H235	W163-E167 HydrophobicContact CH2-CG 4.44Å; W163-E167 HydrophobicContact CZ2-CG 3.99Å; W163-E167 WeakPolarHBondContact CZ2-OE1 3.36Å; W163-E167 VanDerWaalsContact CZ2-OE2 3.29Å; W163-E167 WeakPolarHBondContact CZ2-OE2 3.45Å; W163-E167 PolarHBondContact NE1-OE1 3.37Å; P165-E167 VanDerWaalsContact C-N 3.27Å; P165-E167 WeakPolarHBondContact CA-OE2 3.48Å; P165-E167 PolarHBondContact O-N 2.93Å; E167-G169 VanDerWaalsContact C-N 3.31Å; E167-R204 IonicContact OE1-CZ 2.6Å; E167-R204 IonicContact OE1-NH1 3.23Å; E167-R204 PolarHBondContact OE1-NH1 3.01Å; E167-R204 VanDerWaalsContact OE1-NH1 3.08Å; E167-R204 IonicContact OE1-NH2 3.94Å; E167-R204 PolarHBondContact OE1-NH2 2.81Å; E167-R204 IonicContact OE2-CZ 3.1Å; E167-R204 IonicContact OE2-NH1 2.64Å; E167-R204 PolarHBondContact OE2-NH1 3.03Å; E167-R204 IonicContact OE2-NH2 3.54Å; E167-H235 PolarHBondContact O-NE2 2.92Å; E167-H235 VanDerWaalsContact O-NE2 3.16Å
168	V	77.8	Confident	88.1	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.018	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-96	17.4	179.4	-59.3	0	0	0	0	113	P165 A166 V234 H235 W240 H465	P165-V168 HydrophobicContact CB-CG2 3.41Å; P165-V168 VanDerWaalsContact CB-CG2 3.41Å; P165-V168 WeakPolarHBondContact O-CG2 3.19Å; P165-V168 PolarHBondContact O-N 3.13Å; A166-V168 PolarHBondContact O-N 3.24Å; V168-V234 HydrophobicContact CG1-CB 4.32Å; V168-V234 HydrophobicContact CG1-CG1 3.55Å; V168-H235 WeakPolarHBondContact CA-NE2 3.06Å; V168-W240 HydrophobicContact CB-CZ2 4.24Å; V168-W240 HydrophobicContact CG1-CH2 4.28Å; V168-W240 HydrophobicContact CG1-CZ2 3.69Å; V168-W240 HydrophobicContact CG2-CH2 4.44Å; V168-W240 HydrophobicContact CG2-CZ2 3.67Å; V168-H465 PolarHBondContact O-CE1 3.22Å; V168-H465 PolarHBondContact O-ND1 2.03Å
169	G	79.9	Confident	88	Confident	24 Å²	24	22.7 Å²	22.7	25%	0.247	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	9.7	174.3	0	0	0	0	0	114.5	A166 E167	A166-G169 PolarHBondContact O-N 3.39Å; A166-G169 VanDerWaalsContact O-N 3.08Å; E167-G169 VanDerWaalsContact C-N 3.31Å
170	A	88.8	Confident	87.9	Confident	4 Å²	4	25.3 Å²	25.3	3%	0.033	14%	0.144	C	C	.	.			trans	-66.5	132.6	169.5	0	0	0	0	0	110.1	Y164 P165 A172 L255 V258	Y164-A170 HydrophobicContact CD1-CB 4.4Å; Y164-A170 HydrophobicContact CE1-CB 3.56Å; P165-A170 HydrophobicContact CB-CB 4.24Å; P165-A170 HydrophobicContact CG-CB 3.93Å; P165-A170 WeakPolarHBondContact O-CB 3.38Å; P165-A170 PolarHBondContact O-N 3.25Å; A170-A172 PolarHBondContact O-N 3.02Å; A170-L255 HydrophobicContact CB-CD1 4.15Å; A170-L255 HydrophobicContact CB-CG 4.31Å; A170-V258 HydrophobicContact CB-CG2 4.39Å
171	P	89.8	Confident	87.8	Confident	33 Å²	33	28.7 Å²	28.7	21%	0.214	16%	0.162	C	C	.	.			trans	-55.2	126.1	-175.2	-31.6	37.3	0	0	0	114.2	Y164 R252 P253 L255	Y164-P171 VanDerWaalsContact CE1-O 3.26Å; Y164-P171 WeakPolarHBondContact CE1-O 3.43Å; Y164-P171 PolarHBondContact OH-O 2.93Å; P171-R252 PolarHBondContact O-NH2 3.24Å; P171-P253 HydrophobicContact CB-CB 3.91Å; P171-P253 HydrophobicContact CB-CG 3.7Å; P171-P253 HydrophobicContact CG-CB 4.35Å; P171-L255 HydrophobicContact CG-CD2 4.36Å
172	A	90.8	Very high	88.1	Confident	21 Å²	21	28.4 Å²	28.4	17%	0.174	16%	0.158	C	C	.	.			trans	-127.7	72.7	175.8	0	0	0	0	0	111	A166 A170 L174 Y200	A166-A172 HydrophobicContact CB-CB 3.81Å; A170-A172 PolarHBondContact O-N 3.02Å; A172-L174 PolarHBondContact O-N 2.81Å; A172-Y200 HydrophobicContact CB-CE2 4.32Å
173	P	93.6	Very high	88.7	Confident	37 Å²	37	31.6 Å²	31.6	24%	0.24	18%	0.175	C	C	.	.			trans	-70.1	97.5	-178.4	25.1	-28.7	0	0	0	111.1	A175 Y176 V177 P253	P173-A175 PolarHBondContact O-N 3.12Å; P173-Y176 HydrophobicContact CB-CD1 4.25Å; P173-Y176 HydrophobicContact CB-CE1 3.64Å; P173-Y176 HydrophobicContact CG-CD1 4.4Å; P173-Y176 HydrophobicContact CG-CE1 3.56Å; P173-Y176 HydrophobicContact CG-CE2 4.25Å; P173-Y176 VanDerWaalsContact CG-CZ 3.48Å; P173-Y176 WeakPolarHBondContact CG-OH 3.39Å; P173-Y176 PolarHBondContact O-N 3.21Å; P173-V177 HydrophobicContact CG-CB 4.5Å; P173-V177 HydrophobicContact CG-CG2 3.75Å; P173-V177 WeakPolarHBondContact O-CB 3.32Å; P173-V177 PolarHBondContact O-N 3.49Å; P173-P253 HydrophobicContact CG-CG 3.75Å
174	L	94.3	Very high	89.6	Confident	35 Å²	35	30 Å²	30	18%	0.183	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.8	-174.9	-54.2	178.6	0	0	0	114.3	A172 Y176 N196 T197 Y200	A172-L174 PolarHBondContact O-N 2.81Å; L174-Y176 VanDerWaalsContact C-N 3.29Å; L174-Y176 PolarHBondContact O-N 3.44Å; L174-N196 PolarHBondContact O-ND2 3.2Å; L174-T197 HydrophobicContact CD1-CG2 4.12Å; L174-Y200 HydrophobicContact CD1-CD1 3.62Å; L174-Y200 HydrophobicContact CD1-CD2 4.49Å; L174-Y200 HydrophobicContact CD1-CE1 4.16Å; L174-Y200 HydrophobicContact CD1-CG 3.8Å; L174-Y200 HydrophobicContact CD2-CD1 4.29Å; L174-Y200 HydrophobicContact CD2-CD2 3.67Å; L174-Y200 HydrophobicContact CD2-CE2 4.32Å; L174-Y200 HydrophobicContact CD2-CG 3.64Å; L174-Y200 HydrophobicContact CG-CG 4.34Å
175	A	94.6	Very high	90.1	Very high	60 Å²	60	30.8 Å²	30.8	50%	0.496	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.7	177.4	0	0	0	0	0	113.2	P173 R193	P173-A175 PolarHBondContact O-N 3.12Å; A175-R193 WeakPolarHBondContact O-CD 3.37Å
176	Y	94.4	Very high	90.5	Very high	99 Å²	99	33 Å²	33	39%	0.388	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.5	-8.9	-177.9	68.9	-90	0	0	0	114	P173 L174 D186 P253	P173-Y176 HydrophobicContact CB-CD1 4.25Å; P173-Y176 HydrophobicContact CB-CE1 3.64Å; P173-Y176 HydrophobicContact CG-CD1 4.4Å; P173-Y176 HydrophobicContact CG-CE1 3.56Å; P173-Y176 HydrophobicContact CG-CE2 4.25Å; P173-Y176 VanDerWaalsContact CG-CZ 3.48Å; P173-Y176 WeakPolarHBondContact CG-OH 3.39Å; P173-Y176 PolarHBondContact O-N 3.21Å; L174-Y176 VanDerWaalsContact C-N 3.29Å; L174-Y176 PolarHBondContact O-N 3.44Å; Y176-D186 WeakPolarHBondContact O-CA 3.36Å; Y176-D186 WeakPolarHBondContact O-CB 3.5Å; Y176-P253 WeakPolarHBondContact OH-CD 3.47Å
177	V	94.8	Very high	91	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.036	22%	0.221	C	C	.	.	S	Bend	trans	-99.6	119.9	175.8	-178	0	0	0	0	109.3	P173 N196 R252	P173-V177 HydrophobicContact CG-CB 4.5Å; P173-V177 HydrophobicContact CG-CG2 3.75Å; P173-V177 WeakPolarHBondContact O-CB 3.32Å; P173-V177 PolarHBondContact O-N 3.49Å; V177-N196 PolarHBondContact O-ND2 3.47Å; V177-R252 HydrophobicContact CG1-CB 4.36Å; V177-R252 HydrophobicContact CG2-CB 3.78Å
178	P	94.4	Very high	92	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.013	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-71.2	136	177.6	29.9	-34.4	0	0	0	110.5	L184 N196 F250	P178-L184 HydrophobicContact CB-CB 3.97Å; P178-L184 WeakPolarHBondContact CB-O 3.24Å; P178-N196 WeakPolarHBondContact CA-OD1 3.49Å; P178-F250 HydrophobicContact CG-CD2 3.48Å; P178-F250 VanDerWaalsContact CG-CD2 3.48Å; P178-F250 HydrophobicContact CG-CE2 3.74Å; P178-F250 HydrophobicContact CG-CG 4.45Å
179	E	93.3	Very high	92.9	Very high	20 Å²	20	45.7 Å²	45.7	9%	0.093	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-73.8	147	173.5	-174.3	61.9	-166.5	0	0	110	N181 S182 N196 V199 Y200	E179-N181 PolarHBondContact O-N 2.83Å; E179-S182 WeakPolarHBondContact O-CB 3.46Å; E179-S182 PolarHBondContact O-N 3.02Å; E179-S182 PolarHBondContact O-OG 3.22Å; E179-N196 WeakPolarHBondContact CB-OD1 3.37Å; E179-N196 PolarHBondContact N-OD1 2.87Å; E179-V199 HydrophobicContact CB-CG1 4.29Å; E179-V199 HydrophobicContact CG-CG1 3.99Å; E179-Y200 WeakPolarHBondContact OE2-CD2 3.4Å
180	F	89.5	Confident	93.7	Very high	56 Å²	56	49.8 Å²	49.8	25%	0.246	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	139.3	172.4	-177.9	-110.8	0	0	0	111	L162 S182 V199 D382 D385	L162-F180 HydrophobicContact CB-CE2 4.26Å; L162-F180 VanDerWaalsContact O-CD2 3.31Å; L162-F180 WeakPolarHBondContact O-CD2 3.46Å; L162-F180 WeakPolarHBondContact O-CE2 3.48Å; F180-S182 PolarHBondContact O-N 2.83Å; F180-V199 WeakPolarHBondContact O-CG1 3.26Å; F180-D382 HydrophobicContact CE2-CB 3.82Å; F180-D382 HydrophobicContact CZ-CB 3.99Å; F180-D385 HydrophobicContact CD2-CB 4.17Å; F180-D385 HydrophobicContact CE2-CB 4.13Å
181	N	89.4	Confident	94.2	Very high	74 Å²	74	55.5 Å²	55.5	40%	0.396	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	2.7	-170.1	-63.1	-50	0	0	0	116.3	E179 L183 D385	E179-N181 PolarHBondContact O-N 2.83Å; N181-L183 VanDerWaalsContact C-N 3.29Å; N181-D385 WeakPolarHBondContact CA-OD2 3.43Å; N181-D385 PolarHBondContact N-OD1 2.95Å; N181-D385 PolarHBondContact N-OD2 3.38Å
182	S	92.8	Very high	94.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-73.1	-26.3	173.8	70.9	0	0	0	0	112.4	E179 F180 L184 K195	E179-S182 WeakPolarHBondContact O-CB 3.46Å; E179-S182 PolarHBondContact O-N 3.02Å; E179-S182 PolarHBondContact O-OG 3.22Å; F180-S182 PolarHBondContact O-N 2.83Å; S182-L184 PolarHBondContact O-N 2.91Å; S182-L184 PolarHBondContact OG-N 3.42Å; S182-K195 WeakPolarHBondContact O-CE 3.48Å; S182-K195 PolarHBondContact O-NZ 2.87Å
183	L	94.3	Very high	94.9	Very high	74 Å²	74	61.1 Å²	61.1	39%	0.387	30%	0.302	S	S	.	.			trans	56.8	30	-173.2	-47.3	-176	0	0	0	112.8	N181 Y384	N181-L183 VanDerWaalsContact C-N 3.29Å; L183-Y384 VanDerWaalsContact CD2-CB 3.47Å
184	L	96.1	Very high	95.1	Very high	14 Å²	14	64.3 Å²	64.3	7%	0.073	32%	0.315	C	S	.	.			trans	-102.9	170.2	178.3	-60.9	174.6	0	0	0	110.8	P178 S182 M188 Q192 K195 N196 T388	P178-L184 HydrophobicContact CB-CB 3.97Å; P178-L184 WeakPolarHBondContact CB-O 3.24Å; S182-L184 PolarHBondContact O-N 2.91Å; S182-L184 PolarHBondContact OG-N 3.42Å; L184-M188 HydrophobicContact CB-CG 4.3Å; L184-M188 HydrophobicContact CB-SD 4Å; L184-M188 HydrophobicContact CD1-CG 4.44Å; L184-M188 HydrophobicContact CD1-SD 3.68Å; L184-M188 HydrophobicContact CG-SD 4.46Å; L184-Q192 HydrophobicContact CD1-CB 4.15Å; L184-Q192 WeakPolarHBondContact CD1-O 3.1Å; L184-Q192 HydrophobicContact CD2-CB 4.15Å; L184-Q192 HydrophobicContact CD2-CG 3.91Å; L184-K195 HydrophobicContact CD1-CB 4.48Å; L184-K195 HydrophobicContact CD1-CD 4.33Å; L184-K195 HydrophobicContact CD2-CD 4.46Å; L184-N196 HydrophobicContact CD1-CB 3.87Å; L184-T388 WeakPolarHBondContact O-CG2 3.38Å
185	T	95.9	Very high	95.2	Very high	44 Å²	44	67.6 Å²	67.6	27%	0.27	33%	0.328	S	S	.	.			trans	-108.9	178.3	175.6	73.4	0	0	0	0	110.7	R187 M188 F250 T388 A392	T185-R187 PolarHBondContact O-N 3.35Å; T185-R187 PolarHBondContact OG1-N 2.92Å; T185-R187 PolarHBondContact OG1-O 2.9Å; T185-R187 VanDerWaalsContact OG1-O 3.12Å; T185-M188 VanDerWaalsContact O-CG 3.29Å; T185-M188 WeakPolarHBondContact O-CG 3.28Å; T185-F250 HydrophobicContact CG2-CZ 4.21Å; T185-T388 HydrophobicContact CG2-CG2 4.39Å; T185-A392 HydrophobicContact CG2-CB 3.83Å
186	D	94.7	Very high	95.3	Very high	47 Å²	47	64.8 Å²	64.8	25%	0.251	30%	0.304	S	S	.	.	S	Bend	trans	-69.9	-4.1	172.3	66	-27.3	0	0	0	114.4	Y176 F250	Y176-D186 WeakPolarHBondContact O-CA 3.36Å; Y176-D186 WeakPolarHBondContact O-CB 3.5Å; D186-F250 HydrophobicContact CB-CB 4.03Å; D186-F250 HydrophobicContact CB-CD1 3.79Å; D186-F250 HydrophobicContact CB-CE1 4.46Å; D186-F250 HydrophobicContact CB-CG 3.93Å
187	R	95.4	Very high	95.4	Very high	197 Å²	197	62.5 Å²	62.5	74%	0.743	30%	0.301	S	S	*	.			trans	-110.5	106.8	172.2	-56.2	-59.4	-179.1	166.7	0.4	109.1	T185	T185-R187 PolarHBondContact O-N 3.35Å; T185-R187 PolarHBondContact OG1-N 2.92Å; T185-R187 PolarHBondContact OG1-O 2.9Å; T185-R187 VanDerWaalsContact OG1-O 3.12Å
188	M	96.8	Very high	95.5	Very high	28 Å²	28	63.7 Å²	63.7	14%	0.138	31%	0.314	C	S	.	.			trans	-128.9	136.5	-176.8	-68	-179.1	-80.5	0	0	112.2	L184 T185 Q192 R193 N196	L184-M188 HydrophobicContact CB-CG 4.3Å; L184-M188 HydrophobicContact CB-SD 4Å; L184-M188 HydrophobicContact CD1-CG 4.44Å; L184-M188 HydrophobicContact CD1-SD 3.68Å; L184-M188 HydrophobicContact CG-SD 4.46Å; T185-M188 VanDerWaalsContact O-CG 3.29Å; T185-M188 WeakPolarHBondContact O-CG 3.28Å; M188-Q192 HydrophobicContact CB-CB 3.78Å; M188-Q192 HydrophobicContact CG-CB 3.98Å; M188-R193 HydrophobicContact CB-CG 3.72Å; M188-R193 HydrophobicContact SD-CG 4.47Å; M188-N196 HydrophobicContact SD-CB 3.84Å
189	N	97.2	Very high	95.6	Very high	84 Å²	84	64.9 Å²	64.9	45%	0.449	32%	0.322	S	S	.	.			trans	-79.8	-179.6	165.3	69.8	37.3	0	0	0	111.5	L191 Q192 R193	N189-L191 PolarHBondContact O-N 2.97Å; N189-L191 PolarHBondContact OD1-N 2.86Å; N189-L191 VanDerWaalsContact OD1-N 3.07Å; N189-Q192 PolarHBondContact ND2-OE1 3.19Å; N189-Q192 PolarHBondContact O-N 2.73Å; N189-Q192 WeakPolarHBondContact OD1-CG 3.37Å; N189-Q192 PolarHBondContact OD1-N 2.92Å; N189-R193 WeakPolarHBondContact O-CG 3.46Å; N189-R193 PolarHBondContact O-N 3.34Å
190	L	97.4	Very high	95.6	Very high	111 Å²	111	66.8 Å²	66.8	58%	0.581	33%	0.328	S	S	*	.	H	α-helix	trans	-58.7	-47.4	-177.7	-178.7	62.2	0	0	0	113.2	Q192 R193 M194	L190-Q192 VanDerWaalsContact C-N 3.32Å; L190-Q192 PolarHBondContact O-N 3.06Å; L190-R193 PolarHBondContact O-N 2.95Å; L190-M194 HydrophobicContact CG-CE 4.34Å; L190-M194 WeakPolarHBondContact O-CG 3.43Å; L190-M194 PolarHBondContact O-N 3.08Å
191	L	97.9	Very high	95.8	Very high	124 Å²	124	68.4 Å²	68.4	65%	0.649	34%	0.339	S	S	*	.	H	α-helix	trans	-63.1	-40.8	179.6	-69.1	166.8	0	0	0	111.4	N189 M194 K195	N189-L191 PolarHBondContact O-N 2.97Å; N189-L191 PolarHBondContact OD1-N 2.86Å; N189-L191 VanDerWaalsContact OD1-N 3.07Å; L191-M194 HydrophobicContact CB-CE 4.44Å; L191-M194 HydrophobicContact CD2-CE 3.34Å; L191-M194 HydrophobicContact CG-CE 4.16Å; L191-M194 PolarHBondContact O-N 3.49Å; L191-K195 PolarHBondContact O-N 3.49Å
192	Q	97.8	Very high	96	Very high	68 Å²	68	70.8 Å²	70.8	32%	0.318	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-40.4	175.7	-71.8	170.7	-37.5	0	0	111.6	L184 M188 N189 L190 M194 K195 N196	L184-Q192 HydrophobicContact CD1-CB 4.15Å; L184-Q192 WeakPolarHBondContact CD1-O 3.1Å; L184-Q192 HydrophobicContact CD2-CB 4.15Å; L184-Q192 HydrophobicContact CD2-CG 3.91Å; M188-Q192 HydrophobicContact CB-CB 3.78Å; M188-Q192 HydrophobicContact CG-CB 3.98Å; N189-Q192 PolarHBondContact ND2-OE1 3.19Å; N189-Q192 PolarHBondContact O-N 2.73Å; N189-Q192 WeakPolarHBondContact OD1-CG 3.37Å; N189-Q192 PolarHBondContact OD1-N 2.92Å; L190-Q192 VanDerWaalsContact C-N 3.32Å; L190-Q192 PolarHBondContact O-N 3.06Å; Q192-M194 PolarHBondContact O-N 3.3Å; Q192-K195 PolarHBondContact O-N 3.17Å; Q192-N196 VanDerWaalsContact O-CB 3.31Å; Q192-N196 WeakPolarHBondContact O-CB 3.36Å; Q192-N196 PolarHBondContact O-N 3.04Å
193	R	97.9	Very high	95.8	Very high	103 Å²	103	72.3 Å²	72.3	39%	0.389	36%	0.361	S	S	.	.	H	α-helix	trans	-65.5	-36.7	173.9	-69.6	-173.2	-57.9	-172.8	2.6	112.7	A175 M188 N189 L190 N196 T197	A175-R193 WeakPolarHBondContact O-CD 3.37Å; M188-R193 HydrophobicContact CB-CG 3.72Å; M188-R193 HydrophobicContact SD-CG 4.47Å; N189-R193 WeakPolarHBondContact O-CG 3.46Å; N189-R193 PolarHBondContact O-N 3.34Å; L190-R193 PolarHBondContact O-N 2.95Å; R193-N196 WeakPolarHBondContact O-CB 3.5Å; R193-N196 PolarHBondContact O-N 3.34Å; R193-T197 WeakPolarHBondContact O-CB 3.49Å; R193-T197 PolarHBondContact O-N 3.46Å; R193-T197 PolarHBondContact O-OG1 2.91Å
194	M	97.8	Very high	95.6	Very high	105 Å²	105	70.5 Å²	70.5	52%	0.517	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-45.7	172.9	-70	-171.1	-63.4	0	0	111.3	L190 L191 Q192 N196 T197 G198	L190-M194 HydrophobicContact CG-CE 4.34Å; L190-M194 WeakPolarHBondContact O-CG 3.43Å; L190-M194 PolarHBondContact O-N 3.08Å; L191-M194 HydrophobicContact CB-CE 4.44Å; L191-M194 HydrophobicContact CD2-CE 3.34Å; L191-M194 HydrophobicContact CG-CE 4.16Å; L191-M194 PolarHBondContact O-N 3.49Å; Q192-M194 PolarHBondContact O-N 3.3Å; M194-N196 PolarHBondContact O-N 3.33Å; M194-T197 PolarHBondContact O-N 2.8Å; M194-G198 PolarHBondContact O-N 3.37Å
195	K	97.4	Very high	95.4	Very high	104 Å²	104	74.4 Å²	74.4	45%	0.452	37%	0.37	S	S	.	.	H	α-helix	trans	-57.3	-49	172.8	-180	-173.1	176.8	-163.8	0	111	S182 L184 L191 Q192 T197 G198 V199	S182-K195 WeakPolarHBondContact O-CE 3.48Å; S182-K195 PolarHBondContact O-NZ 2.87Å; L184-K195 HydrophobicContact CD1-CB 4.48Å; L184-K195 HydrophobicContact CD1-CD 4.33Å; L184-K195 HydrophobicContact CD2-CD 4.46Å; L191-K195 PolarHBondContact O-N 3.49Å; Q192-K195 PolarHBondContact O-N 3.17Å; K195-T197 VanDerWaalsContact C-N 3.29Å; K195-T197 PolarHBondContact O-N 2.83Å; K195-G198 PolarHBondContact O-N 3.35Å; K195-V199 HydrophobicContact CG-CG2 4.42Å; K195-V199 WeakPolarHBondContact O-CG2 3.31Å; K195-V199 PolarHBondContact O-N 2.93Å
196	N	97.1	Very high	95.2	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-55.7	-46.1	179.2	-165.4	44.2	0	0	0	111.7	L174 V177 P178 E179 L184 M188 Q192 R193 M194 V199 Y200	L174-N196 PolarHBondContact O-ND2 3.2Å; V177-N196 PolarHBondContact O-ND2 3.47Å; P178-N196 WeakPolarHBondContact CA-OD1 3.49Å; E179-N196 WeakPolarHBondContact CB-OD1 3.37Å; E179-N196 PolarHBondContact N-OD1 2.87Å; L184-N196 HydrophobicContact CD1-CB 3.87Å; M188-N196 HydrophobicContact SD-CB 3.84Å; Q192-N196 VanDerWaalsContact O-CB 3.31Å; Q192-N196 WeakPolarHBondContact O-CB 3.36Å; Q192-N196 PolarHBondContact O-N 3.04Å; R193-N196 WeakPolarHBondContact O-CB 3.5Å; R193-N196 PolarHBondContact O-N 3.34Å; M194-N196 PolarHBondContact O-N 3.33Å; N196-V199 PolarHBondContact O-N 2.81Å; N196-Y200 WeakPolarHBondContact O-CB 3.2Å; N196-Y200 PolarHBondContact O-N 3.34Å
197	T	96.6	Very high	95	Very high	52 Å²	52	72.3 Å²	72.3	32%	0.319	36%	0.363	S	S	.	.	H	α-helix	trans	-64.4	-43.2	177.8	-54.5	0	0	0	0	111.6	L174 R193 M194 K195 Y200 L201	L174-T197 HydrophobicContact CD1-CG2 4.12Å; R193-T197 WeakPolarHBondContact O-CB 3.49Å; R193-T197 PolarHBondContact O-N 3.46Å; R193-T197 PolarHBondContact O-OG1 2.91Å; M194-T197 PolarHBondContact O-N 2.8Å; K195-T197 VanDerWaalsContact C-N 3.29Å; K195-T197 PolarHBondContact O-N 2.83Å; T197-Y200 PolarHBondContact O-N 2.93Å; T197-L201 HydrophobicContact CG2-CD1 4.29Å; T197-L201 WeakPolarHBondContact O-CG 3.5Å; T197-L201 PolarHBondContact O-N 3.47Å
198	G	96.8	Very high	94.7	Very high	30 Å²	30	65.6 Å²	65.6	31%	0.309	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-46.4	175.2	0	0	0	0	0	112.5	M194 K195 Y200 L201 I202	M194-G198 PolarHBondContact O-N 3.37Å; K195-G198 PolarHBondContact O-N 3.35Å; G198-Y200 PolarHBondContact O-N 2.9Å; G198-L201 PolarHBondContact O-N 2.77Å; G198-I202 VanDerWaalsContact O-CG1 3.28Å; G198-I202 WeakPolarHBondContact O-CG1 3.28Å; G198-I202 PolarHBondContact O-N 3.31Å
199	V	94.7	Very high	94.5	Very high	28 Å²	28	70.9 Å²	70.9	17%	0.17	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-44.3	176.9	174.8	0	0	0	0	110.9	E179 F180 K195 N196 L201 I202 S203	E179-V199 HydrophobicContact CB-CG1 4.29Å; E179-V199 HydrophobicContact CG-CG1 3.99Å; F180-V199 WeakPolarHBondContact O-CG1 3.26Å; K195-V199 HydrophobicContact CG-CG2 4.42Å; K195-V199 WeakPolarHBondContact O-CG2 3.31Å; K195-V199 PolarHBondContact O-N 2.93Å; N196-V199 PolarHBondContact O-N 2.81Å; V199-L201 PolarHBondContact O-N 3.41Å; V199-I202 PolarHBondContact O-N 2.9Å; V199-S203 WeakPolarHBondContact O-CB 3.42Å; V199-S203 PolarHBondContact O-N 3.5Å; V199-S203 PolarHBondContact O-OG 3.28Å; V199-S203 VanDerWaalsContact O-OG 3.08Å
200	Y	93.9	Very high	94.2	Very high	59 Å²	59	71.3 Å²	71.3	23%	0.231	37%	0.37	C	S	.	.	H	α-helix	trans	-55.9	-52.3	174.6	173.4	-95.5	0	0	0	111.8	A166 A172 L174 E179 N196 T197 G198 I202 S203 R204	A166-Y200 HydrophobicContact CB-CE2 4.36Å; A172-Y200 HydrophobicContact CB-CE2 4.32Å; L174-Y200 HydrophobicContact CD1-CD1 3.62Å; L174-Y200 HydrophobicContact CD1-CD2 4.49Å; L174-Y200 HydrophobicContact CD1-CE1 4.16Å; L174-Y200 HydrophobicContact CD1-CG 3.8Å; L174-Y200 HydrophobicContact CD2-CD1 4.29Å; L174-Y200 HydrophobicContact CD2-CD2 3.67Å; L174-Y200 HydrophobicContact CD2-CE2 4.32Å; L174-Y200 HydrophobicContact CD2-CG 3.64Å; L174-Y200 HydrophobicContact CG-CG 4.34Å; E179-Y200 WeakPolarHBondContact OE2-CD2 3.4Å; N196-Y200 WeakPolarHBondContact O-CB 3.2Å; N196-Y200 PolarHBondContact O-N 3.34Å; T197-Y200 PolarHBondContact O-N 2.93Å; G198-Y200 PolarHBondContact O-N 2.9Å; Y200-I202 PolarHBondContact O-N 3.45Å; Y200-S203 PolarHBondContact O-N 3.37Å; Y200-R204 HydrophobicContact CD1-CG 4.3Å; Y200-R204 HydrophobicContact CD2-CG 4.13Å; Y200-R204 HydrophobicContact CE1-CG 3.98Å; Y200-R204 HydrophobicContact CE2-CG 3.82Å; Y200-R204 HydrophobicContact CG-CG 4.38Å; Y200-R204 VanDerWaalsContact O-CG 3.27Å; Y200-R204 WeakPolarHBondContact O-CG 3.27Å; Y200-R204 PolarHBondContact O-N 2.9Å
201	L	94.1	Very high	93.9	Very high	91 Å²	91	67 Å²	67	48%	0.476	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-46.2	-180	-67.8	173.2	0	0	0	111.6	T197 G198 V199 S203 R204 L205	T197-L201 HydrophobicContact CG2-CD1 4.29Å; T197-L201 WeakPolarHBondContact O-CG 3.5Å; T197-L201 PolarHBondContact O-N 3.47Å; G198-L201 PolarHBondContact O-N 2.77Å; V199-L201 PolarHBondContact O-N 3.41Å; L201-S203 PolarHBondContact O-N 2.8Å; L201-R204 PolarHBondContact O-N 3.32Å; L201-L205 WeakPolarHBondContact O-CB 3.48Å; L201-L205 WeakPolarHBondContact O-CG 3.45Å; L201-L205 PolarHBondContact O-N 3.48Å
202	I	93.3	Very high	93.7	Very high	123 Å²	123	61.7 Å²	61.7	63%	0.631	32%	0.32	S	S	*	.	H	α-helix	trans	-59.5	-46.6	178	-69.1	165.9	0	0	0	110.7	G198 V199 Y200 R204 G206	G198-I202 VanDerWaalsContact O-CG1 3.28Å; G198-I202 WeakPolarHBondContact O-CG1 3.28Å; G198-I202 PolarHBondContact O-N 3.31Å; V199-I202 PolarHBondContact O-N 2.9Å; Y200-I202 PolarHBondContact O-N 3.45Å; I202-R204 PolarHBondContact O-N 2.93Å; I202-G206 PolarHBondContact O-N 3.46Å
203	S	89.6	Confident	93.6	Very high	33 Å²	33	59.7 Å²	59.7	23%	0.231	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-39.3	179.4	-66.9	0	0	0	0	112.5	V199 Y200 L201 V207	V199-S203 WeakPolarHBondContact O-CB 3.42Å; V199-S203 PolarHBondContact O-N 3.5Å; V199-S203 PolarHBondContact O-OG 3.28Å; V199-S203 VanDerWaalsContact O-OG 3.08Å; Y200-S203 PolarHBondContact O-N 3.37Å; L201-S203 PolarHBondContact O-N 2.8Å; S203-V207 WeakPolarHBondContact O-CG2 3.45Å; S203-V207 PolarHBondContact O-N 3.1Å
204	R	89.8	Confident	93.5	Very high	35 Å²	35	57.3 Å²	57.3	13%	0.132	31%	0.306	C	S	.	.	H	α-helix	trans	-71.4	-43.2	177.6	-62.3	-57.5	65.9	173.8	-18.1	113.5	E167 Y200 L201 I202 S208	E167-R204 IonicContact OE1-CZ 2.6Å; E167-R204 IonicContact OE1-NH1 3.23Å; E167-R204 PolarHBondContact OE1-NH1 3.01Å; E167-R204 VanDerWaalsContact OE1-NH1 3.08Å; E167-R204 IonicContact OE1-NH2 3.94Å; E167-R204 PolarHBondContact OE1-NH2 2.81Å; E167-R204 IonicContact OE2-CZ 3.1Å; E167-R204 IonicContact OE2-NH1 2.64Å; E167-R204 PolarHBondContact OE2-NH1 3.03Å; E167-R204 IonicContact OE2-NH2 3.54Å; Y200-R204 HydrophobicContact CD1-CG 4.3Å; Y200-R204 HydrophobicContact CD2-CG 4.13Å; Y200-R204 HydrophobicContact CE1-CG 3.98Å; Y200-R204 HydrophobicContact CE2-CG 3.82Å; Y200-R204 HydrophobicContact CG-CG 4.38Å; Y200-R204 VanDerWaalsContact O-CG 3.27Å; Y200-R204 WeakPolarHBondContact O-CG 3.27Å; Y200-R204 PolarHBondContact O-N 2.9Å; L201-R204 PolarHBondContact O-N 3.32Å; I202-R204 PolarHBondContact O-N 2.93Å; R204-S208 WeakPolarHBondContact O-CB 3.39Å; R204-S208 PolarHBondContact O-N 3.26Å; R204-S208 PolarHBondContact O-OG 2.88Å
205	L	92.1	Very high	93.5	Very high	97 Å²	97	52.5 Å²	52.5	51%	0.508	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-42.6	174.3	-63.4	172.7	0	0	0	110.4	L201 V207 S208 F209	L201-L205 WeakPolarHBondContact O-CB 3.48Å; L201-L205 WeakPolarHBondContact O-CG 3.45Å; L201-L205 PolarHBondContact O-N 3.48Å; L205-V207 PolarHBondContact O-N 3.45Å; L205-S208 PolarHBondContact O-N 3.32Å; L205-F209 HydrophobicContact CB-CD2 4.15Å; L205-F209 HydrophobicContact CD2-CD2 4.02Å; L205-F209 HydrophobicContact CD2-CE2 3.57Å; L205-F209 WeakPolarHBondContact O-CB 3.43Å; L205-F209 VanDerWaalsContact O-CD2 3.29Å; L205-F209 WeakPolarHBondContact O-CD2 3.45Å; L205-F209 PolarHBondContact O-N 3.45Å
206	G	91	Very high	93.4	Very high	20 Å²	20	49.9 Å²	49.9	21%	0.206	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-47.6	177.2	0	0	0	0	0	112.8	I202 L210 V211	I202-G206 PolarHBondContact O-N 3.46Å; G206-L210 WeakPolarHBondContact O-CA 3.44Å; G206-L210 WeakPolarHBondContact O-CB 3.41Å; G206-L210 PolarHBondContact O-N 2.91Å; G206-V211 PolarHBondContact O-N 2.91Å
207	V	89.7	Confident	93.4	Very high	27 Å²	27	56.9 Å²	56.9	16%	0.164	30%	0.298	C	S	.	.	I	π-helix	trans	-63.1	-48.4	176	169.4	0	0	0	0	111.1	S203 L205 F209 V211 L212	S203-V207 WeakPolarHBondContact O-CG2 3.45Å; S203-V207 PolarHBondContact O-N 3.1Å; L205-V207 PolarHBondContact O-N 3.45Å; V207-F209 PolarHBondContact O-N 3.48Å; V207-V211 PolarHBondContact O-N 3Å; V207-L212 HydrophobicContact CG1-CD1 4.27Å; V207-L212 HydrophobicContact CG1-CD2 4.3Å; V207-L212 HydrophobicContact CG1-CG 3.97Å; V207-L212 WeakPolarHBondContact O-CG 3.33Å; V207-L212 PolarHBondContact O-N 3.29Å
208	S	90.4	Very high	93.4	Very high	55 Å²	55	54.8 Å²	54.8	39%	0.385	29%	0.285	S	S	.	.	I	π-helix	trans	-68.3	-37	-174.5	-51.9	0	0	0	0	113.5	R204 L205 P213	R204-S208 WeakPolarHBondContact O-CB 3.39Å; R204-S208 PolarHBondContact O-N 3.26Å; R204-S208 PolarHBondContact O-OG 2.88Å; L205-S208 PolarHBondContact O-N 3.32Å; S208-P213 VanDerWaalsContact O-CD 3.27Å; S208-P213 WeakPolarHBondContact O-CD 3.46Å; S208-P213 WeakPolarHBondContact O-CG 3.35Å
209	F	92.1	Very high	93.5	Very high	140 Å²	140	53.9 Å²	53.9	61%	0.614	27%	0.272	S	S	*	.	I	π-helix	trans	-105	-20.2	-173.3	-65.4	-68.3	0	0	0	114.5	L205 V207	L205-F209 HydrophobicContact CB-CD2 4.15Å; L205-F209 HydrophobicContact CD2-CD2 4.02Å; L205-F209 HydrophobicContact CD2-CE2 3.57Å; L205-F209 WeakPolarHBondContact O-CB 3.43Å; L205-F209 VanDerWaalsContact O-CD2 3.29Å; L205-F209 WeakPolarHBondContact O-CD2 3.45Å; L205-F209 PolarHBondContact O-N 3.45Å; V207-F209 PolarHBondContact O-N 3.48Å
210	L	91	Very high	93.5	Very high	92 Å²	92	58.7 Å²	58.7	48%	0.482	29%	0.293	S	S	.	.	I	π-helix	trans	-114.3	-37.7	-178.1	-54.4	175.3	0	0	0	113.6	G206 K214	G206-L210 WeakPolarHBondContact O-CA 3.44Å; G206-L210 WeakPolarHBondContact O-CB 3.41Å; G206-L210 PolarHBondContact O-N 2.91Å; L210-K214 VanDerWaalsContact O-CD 3.29Å; L210-K214 WeakPolarHBondContact O-CD 3.46Å; L210-K214 VanDerWaalsContact O-CE 3.24Å; L210-K214 WeakPolarHBondContact O-CE 3.36Å; L210-K214 VanDerWaalsContact O-CG 3.31Å; L210-K214 WeakPolarHBondContact O-CG 3.44Å
211	V	91.4	Very high	93.7	Very high	22 Å²	22	61.4 Å²	61.4	13%	0.133	31%	0.306	C	S	.	.	I	π-helix	trans	-90.2	-61	-174.1	-176.5	0	0	0	0	111.3	M142 G206 V207 K214 Y215	M142-V211 HydrophobicContact CE-CG1 4.17Å; M142-V211 HydrophobicContact SD-CG1 3.82Å; G206-V211 PolarHBondContact O-N 2.91Å; V207-V211 PolarHBondContact O-N 3Å; V211-K214 WeakPolarHBondContact O-CB 3.45Å; V211-K214 PolarHBondContact O-N 2.89Å; V211-K214 VanDerWaalsContact O-N 3.14Å; V211-Y215 HydrophobicContact CG1-CE2 4.21Å; V211-Y215 WeakPolarHBondContact O-CD2 3.36Å
212	L	93.9	Very high	93.8	Very high	12 Å²	12	60 Å²	60	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-43.7	-176.8	-59.1	-178.1	0	0	0	112.9	M142 V207 K214 Y215 E216 M230 Y231 V234	M142-L212 HydrophobicContact CE-CD2 4.29Å; M142-L212 HydrophobicContact SD-CD2 3.74Å; V207-L212 HydrophobicContact CG1-CD1 4.27Å; V207-L212 HydrophobicContact CG1-CD2 4.3Å; V207-L212 HydrophobicContact CG1-CG 3.97Å; V207-L212 WeakPolarHBondContact O-CG 3.33Å; V207-L212 PolarHBondContact O-N 3.29Å; L212-K214 PolarHBondContact O-N 2.81Å; L212-K214 VanDerWaalsContact O-N 3.11Å; L212-Y215 PolarHBondContact O-N 3.24Å; L212-Y215 VanDerWaalsContact O-N 3.08Å; L212-E216 PolarHBondContact O-N 3.37Å; L212-M230 HydrophobicContact CB-CB 4.04Å; L212-M230 HydrophobicContact CD2-CB 4.1Å; L212-Y231 HydrophobicContact CD1-CD2 4.45Å; L212-V234 HydrophobicContact CD2-CG2 4.2Å
213	P	95.4	Very high	93.8	Very high	26 Å²	26	60.6 Å²	60.6	17%	0.169	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-23.7	-179.1	-26.9	38.7	0	0	0	114	S208 R217	S208-P213 VanDerWaalsContact O-CD 3.27Å; S208-P213 WeakPolarHBondContact O-CD 3.46Å; S208-P213 WeakPolarHBondContact O-CG 3.35Å; P213-R217 VanDerWaalsContact O-CG 3.32Å; P213-R217 WeakPolarHBondContact O-CG 3.31Å; P213-R217 PolarHBondContact O-N 3.45Å
214	K	95.9	Very high	94	Very high	53 Å²	53	60 Å²	60	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-41.1	176	-73.5	176.2	-177	177.8	0	111.6	D108 T111 L210 V211 L212	D108-K214 IonicContact OD1-NZ 3.92Å; D108-K214 PolarHBondContact OD1-NZ 3.42Å; T111-K214 HydrophobicContact CG2-CB 3.78Å; L210-K214 VanDerWaalsContact O-CD 3.29Å; L210-K214 WeakPolarHBondContact O-CD 3.46Å; L210-K214 VanDerWaalsContact O-CE 3.24Å; L210-K214 WeakPolarHBondContact O-CE 3.36Å; L210-K214 VanDerWaalsContact O-CG 3.31Å; L210-K214 WeakPolarHBondContact O-CG 3.44Å; V211-K214 WeakPolarHBondContact O-CB 3.45Å; V211-K214 PolarHBondContact O-N 2.89Å; V211-K214 VanDerWaalsContact O-N 3.14Å; L212-K214 PolarHBondContact O-N 2.81Å; L212-K214 VanDerWaalsContact O-N 3.11Å
215	Y	96.4	Very high	93.8	Very high	3 Å²	3	64.8 Å²	64.8	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-75	-36.1	175.8	-67.3	-88.4	0	0	0	111.5	C114 M142 C143 V146 V211 L212 R217 I218 M219 M230	C114-Y215 HydrophobicContact CB-CD1 4.24Å; C114-Y215 HydrophobicContact CB-CE1 3.92Å; M142-Y215 HydrophobicContact CB-CD1 4.44Å; M142-Y215 HydrophobicContact CB-CD2 4.24Å; M142-Y215 HydrophobicContact CB-CE1 4.05Å; M142-Y215 HydrophobicContact CB-CE2 3.84Å; M142-Y215 HydrophobicContact CG-CE2 4.39Å; M142-Y215 HydrophobicContact SD-CD2 4.5Å; M142-Y215 HydrophobicContact SD-CE2 4.26Å; C143-Y215 HydrophobicContact CB-CE1 4.36Å; V146-Y215 HydrophobicContact CG2-CD1 4.44Å; V211-Y215 HydrophobicContact CG1-CE2 4.21Å; V211-Y215 WeakPolarHBondContact O-CD2 3.36Å; L212-Y215 PolarHBondContact O-N 3.24Å; L212-Y215 VanDerWaalsContact O-N 3.08Å; Y215-R217 VanDerWaalsContact C-N 3.3Å; Y215-R217 PolarHBondContact O-N 2.92Å; Y215-I218 WeakPolarHBondContact O-CB 3.5Å; Y215-I218 PolarHBondContact O-N 2.82Å; Y215-M219 WeakPolarHBondContact O-CG 3.36Å; Y215-M219 PolarHBondContact O-N 3.02Å; Y215-M230 HydrophobicContact CG-CE 4.16Å
216	E	96.1	Very high	93.6	Very high	49 Å²	49	64.3 Å²	64.3	23%	0.229	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-39	174.5	-67.9	178	167.5	0	0	112.2	L212 I218 M219 Q220 S229 M230	L212-E216 PolarHBondContact O-N 3.37Å; E216-I218 VanDerWaalsContact C-N 3.28Å; E216-I218 PolarHBondContact O-N 2.74Å; E216-M219 WeakPolarHBondContact O-CB 3.42Å; E216-M219 PolarHBondContact O-N 2.83Å; E216-M219 VanDerWaalsContact O-N 3.13Å; E216-Q220 WeakPolarHBondContact O-CB 3.29Å; E216-Q220 VanDerWaalsContact O-CG 3.32Å; E216-Q220 WeakPolarHBondContact O-CG 3.27Å; E216-Q220 PolarHBondContact O-N 3.06Å; E216-S229 WeakPolarHBondContact OE1-CB 3.42Å; E216-M230 HydrophobicContact CG-CB 3.71Å; E216-M230 HydrophobicContact CG-CG 3.52Å; E216-M230 PolarHBondContact OE1-N 3.45Å
217	R	97	Very high	93.6	Very high	147 Å²	147	71.7 Å²	71.7	56%	0.555	35%	0.352	S	S	*	.	H	α-helix	trans	-60.8	-35.9	173.1	-73.8	179.5	-147.5	123.5	3.5	112.6	P213 Y215 K221	P213-R217 VanDerWaalsContact O-CG 3.32Å; P213-R217 WeakPolarHBondContact O-CG 3.31Å; P213-R217 PolarHBondContact O-N 3.45Å; Y215-R217 VanDerWaalsContact C-N 3.3Å; Y215-R217 PolarHBondContact O-N 2.92Å; R217-K221 WeakPolarHBondContact O-CB 3.06Å; R217-K221 PolarHBondContact O-N 3.28Å
218	I	97.4	Very high	93.8	Very high	9 Å²	9	75.5 Å²	75.5	5%	0.046	37%	0.367	C	S	.	.	H	α-helix	trans	-66	-46	174.1	-62.5	167.4	0	0	0	109.3	T111 C114 D115 V118 Y215 E216 Q220 K221 Y222	T111-I218 HydrophobicContact CG2-CD1 3.84Å; T111-I218 WeakPolarHBondContact O-CD1 3.36Å; C114-I218 HydrophobicContact CB-CD1 4.05Å; D115-I218 HydrophobicContact CB-CD1 3.97Å; D115-I218 HydrophobicContact CB-CG1 4.14Å; V118-I218 HydrophobicContact CB-CG2 3.99Å; V118-I218 HydrophobicContact CG1-CG2 4.09Å; V118-I218 HydrophobicContact CG2-CG2 4.14Å; Y215-I218 WeakPolarHBondContact O-CB 3.5Å; Y215-I218 PolarHBondContact O-N 2.82Å; E216-I218 VanDerWaalsContact C-N 3.28Å; E216-I218 PolarHBondContact O-N 2.74Å; I218-Q220 VanDerWaalsContact C-N 3.31Å; I218-Q220 PolarHBondContact O-N 3.15Å; I218-K221 PolarHBondContact O-N 3.12Å; I218-Y222 HydrophobicContact CG2-CD2 3.89Å; I218-Y222 HydrophobicContact CG2-CE2 4.02Å; I218-Y222 VanDerWaalsContact O-CD2 3.28Å; I218-Y222 WeakPolarHBondContact O-CD2 3.4Å; I218-Y222 PolarHBondContact O-N 3.17Å; I218-Y222 VanDerWaalsContact O-N 3.14Å
219	M	97.3	Very high	94	Very high	10 Å²	10	74.5 Å²	74.5	5%	0.049	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-40.8	178.1	-62	175	56.6	0	0	112.1	V146 Y215 E216 N223 L224 K228 M230 L233	V146-M219 HydrophobicContact CG1-CG 4.01Å; V146-M219 HydrophobicContact CG2-CG 4.23Å; V146-M219 HydrophobicContact CG2-SD 4.22Å; Y215-M219 WeakPolarHBondContact O-CG 3.36Å; Y215-M219 PolarHBondContact O-N 3.02Å; E216-M219 WeakPolarHBondContact O-CB 3.42Å; E216-M219 PolarHBondContact O-N 2.83Å; E216-M219 VanDerWaalsContact O-N 3.13Å; M219-N223 PolarHBondContact O-N 2.87Å; M219-L224 HydrophobicContact CB-CB 4.45Å; M219-L224 HydrophobicContact CB-CD1 4.09Å; M219-L224 HydrophobicContact CB-CG 4.27Å; M219-L224 HydrophobicContact CG-CD1 3.95Å; M219-L224 WeakPolarHBondContact O-CG 3.37Å; M219-L224 PolarHBondContact O-N 2.88Å; M219-K228 WeakPolarHBondContact CE-O 3.39Å; M219-M230 HydrophobicContact SD-CG 3.79Å; M219-M230 HydrophobicContact SD-SD 3.59Å; M219-L233 HydrophobicContact CE-CD1 3.76Å; M219-L233 HydrophobicContact CE-CG 4.48Å; M219-L233 HydrophobicContact SD-CD1 3.87Å
220	Q	96.4	Very high	94.1	Very high	130 Å²	130	67.9 Å²	67.9	61%	0.607	33%	0.331	S	S	*	.	H	α-helix	trans	-67.9	-46.7	175.1	-71.3	169.1	-2.8	0	0	111.8	E216 I218 Y222 N223	E216-Q220 WeakPolarHBondContact O-CB 3.29Å; E216-Q220 VanDerWaalsContact O-CG 3.32Å; E216-Q220 WeakPolarHBondContact O-CG 3.27Å; E216-Q220 PolarHBondContact O-N 3.06Å; I218-Q220 VanDerWaalsContact C-N 3.31Å; I218-Q220 PolarHBondContact O-N 3.15Å; Q220-Y222 PolarHBondContact O-N 2.83Å; Q220-Y222 VanDerWaalsContact O-N 3.16Å; Q220-N223 PolarHBondContact O-N 3.39Å; Q220-N223 PolarHBondContact O-OD1 2.96Å
221	K	97.1	Very high	94.2	Very high	115 Å²	115	68.8 Å²	68.8	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-53.3	-37.7	178.7	176	-175.5	171.4	-164.7	0	112.3	D115 R217 I218	D115-K221 IonicContact OD1-NZ 2.71Å; D115-K221 PolarHBondContact OD1-NZ 3.43Å; D115-K221 IonicContact OD2-NZ 3.18Å; D115-K221 PolarHBondContact OD2-NZ 3.07Å; R217-K221 WeakPolarHBondContact O-CB 3.06Å; R217-K221 PolarHBondContact O-N 3.28Å; I218-K221 PolarHBondContact O-N 3.12Å
222	Y	96.6	Very high	94.2	Very high	62 Å²	62	71.6 Å²	71.6	24%	0.243	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	8.3	179.8	-65.5	-70.7	0	0	0	114.3	D115 V118 G119 I218 Q220 L224	D115-Y222 PolarHBondContact O-OH 3.35Å; D115-Y222 VanDerWaalsContact OD1-CE2 3.25Å; D115-Y222 WeakPolarHBondContact OD1-CE2 3.16Å; D115-Y222 PolarHBondContact OD1-OH 3Å; V118-Y222 HydrophobicContact CB-CD2 4.15Å; V118-Y222 HydrophobicContact CB-CE2 4.32Å; V118-Y222 HydrophobicContact CG1-CD2 3.43Å; V118-Y222 VanDerWaalsContact CG1-CD2 3.43Å; V118-Y222 HydrophobicContact CG1-CE2 4.07Å; V118-Y222 HydrophobicContact CG1-CG 3.86Å; G119-Y222 WeakPolarHBondContact CA-OH 3.13Å; I218-Y222 HydrophobicContact CG2-CD2 3.89Å; I218-Y222 HydrophobicContact CG2-CE2 4.02Å; I218-Y222 VanDerWaalsContact O-CD2 3.28Å; I218-Y222 WeakPolarHBondContact O-CD2 3.4Å; I218-Y222 PolarHBondContact O-N 3.17Å; I218-Y222 VanDerWaalsContact O-N 3.14Å; Q220-Y222 PolarHBondContact O-N 2.83Å; Q220-Y222 VanDerWaalsContact O-N 3.16Å; Y222-L224 PolarHBondContact O-N 3.17Å
223	N	93.8	Very high	94.3	Very high	136 Å²	136	71.2 Å²	71.2	73%	0.727	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	53.3	179	-60.3	-59.5	0	0	0	113	M219 Q220 L225	M219-N223 PolarHBondContact O-N 2.87Å; Q220-N223 PolarHBondContact O-N 3.39Å; Q220-N223 PolarHBondContact O-OD1 2.96Å; N223-L225 PolarHBondContact O-N 3.19Å
224	L	92.6	Very high	94.2	Very high	19 Å²	19	70.4 Å²	70.4	10%	0.099	34%	0.336	C	S	.	.			trans	-71.5	128.7	-177.3	-56.2	-164.5	0	0	0	111.4	V118 V146 L150 M219 Y222	V118-L224 HydrophobicContact CG1-CD1 4.33Å; V118-L224 HydrophobicContact CG1-CD2 4.41Å; V146-L224 HydrophobicContact CG1-CD1 3.77Å; L150-L224 HydrophobicContact CD1-CD1 4.2Å; L150-L224 HydrophobicContact CD2-CD1 3.78Å; L150-L224 HydrophobicContact CD2-CD2 3.42Å; L150-L224 VanDerWaalsContact CD2-CD2 3.42Å; L150-L224 HydrophobicContact CD2-CG 4.12Å; L150-L224 HydrophobicContact CG-CD1 3.85Å; L150-L224 HydrophobicContact CG-CD2 4.37Å; M219-L224 HydrophobicContact CB-CB 4.45Å; M219-L224 HydrophobicContact CB-CD1 4.09Å; M219-L224 HydrophobicContact CB-CG 4.27Å; M219-L224 HydrophobicContact CG-CD1 3.95Å; M219-L224 WeakPolarHBondContact O-CG 3.37Å; M219-L224 PolarHBondContact O-N 2.88Å; Y222-L224 PolarHBondContact O-N 3.17Å
225	L	86.6	Confident	93.9	Very high	136 Å²	136	69 Å²	69	71%	0.712	33%	0.33	S	S	*	.	S	Bend	trans	-118	147.2	-178.8	-65.2	176.5	0	0	0	111.8	N223 E227	N223-L225 PolarHBondContact O-N 3.19Å; L225-E227 HydrophobicContact CD2-CG 4.14Å
226	P	88.3	Confident	93.6	Very high	87 Å²	87	70.2 Å²	70.2	57%	0.565	34%	0.344	S	S	*	.	S	Bend	cis	-68	146.1	-9.3	29.5	-34.9	0	0	0	111.4	H149 K228	H149-P226 PolarHBondContact CE1-O 3.45Å; H149-P226 PolarHBondContact NE2-O 3.38Å; H149-P226 VanDerWaalsContact NE2-O 3.09Å; P226-K228 PolarHBondContact O-N 2.71Å
227	E	90.3	Very high	93.5	Very high	175 Å²	175	67.9 Å²	67.9	82%	0.818	33%	0.333	S	S	*	.			trans	-57.1	127.9	-179.6	-67.5	-175.1	-179.2	0	0	111.2	L225	L225-E227 HydrophobicContact CD2-CG 4.14Å
228	K	94.1	Very high	93.4	Very high	107 Å²	107	61.3 Å²	61.3	47%	0.465	31%	0.309	S	S	.	.			trans	-142	147.6	175.5	-72.1	-163.4	174.2	-167.4	0	110	M219 P226 D232 L233	M219-K228 WeakPolarHBondContact CE-O 3.39Å; P226-K228 PolarHBondContact O-N 2.71Å; K228-D232 HydrophobicContact CB-CB 4.5Å; K228-L233 HydrophobicContact CB-CD2 3.99Å; K228-L233 HydrophobicContact CB-CG 4.44Å; K228-L233 HydrophobicContact CD-CD2 3.76Å
229	S	94.6	Very high	93.3	Very high	35 Å²	35	60.9 Å²	60.9	25%	0.245	31%	0.307	C	S	.	.			trans	-75.4	157.5	168.4	70.3	0	0	0	0	110.4	E216 Y231 D232 L233	E216-S229 WeakPolarHBondContact OE1-CB 3.42Å; S229-Y231 PolarHBondContact O-N 3.45Å; S229-D232 PolarHBondContact N-OD2 2.83Å; S229-D232 PolarHBondContact O-N 2.83Å; S229-D232 PolarHBondContact OG-N 2.97Å; S229-D232 PolarHBondContact OG-OD2 3.14Å; S229-L233 WeakPolarHBondContact O-CG 3.39Å; S229-L233 PolarHBondContact O-N 2.82Å; S229-L233 VanDerWaalsContact O-N 3.13Å
230	M	94.6	Very high	93.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-30.4	172.1	-83.1	-67.8	-56.2	0	0	111.4	M142 F145 V146 L212 Y215 E216 M219 L233 V234	M142-M230 HydrophobicContact CB-CE 4.07Å; F145-M230 HydrophobicContact CB-CE 4.23Å; F145-M230 HydrophobicContact CD2-CE 4.49Å; V146-M230 HydrophobicContact CG2-CE 4.28Å; V146-M230 HydrophobicContact CG2-SD 3.54Å; V146-M230 VanDerWaalsContact CG2-SD 3.54Å; L212-M230 HydrophobicContact CB-CB 4.04Å; L212-M230 HydrophobicContact CD2-CB 4.1Å; Y215-M230 HydrophobicContact CG-CE 4.16Å; E216-M230 HydrophobicContact CG-CB 3.71Å; E216-M230 HydrophobicContact CG-CG 3.52Å; E216-M230 PolarHBondContact OE1-N 3.45Å; M219-M230 HydrophobicContact SD-CG 3.79Å; M219-M230 HydrophobicContact SD-SD 3.59Å; M230-L233 PolarHBondContact O-N 2.87Å; M230-L233 HydrophobicContact SD-CD1 3.93Å; M230-V234 WeakPolarHBondContact O-CG2 3.49Å; M230-V234 PolarHBondContact O-N 2.89Å
231	Y	91.9	Very high	93.2	Very high	112 Å²	112	54.4 Å²	54.4	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-57.1	-47.9	171.7	-175.8	-96.5	0	0	0	111.5	L212 S229 L233 V234 H235	L212-Y231 HydrophobicContact CD1-CD2 4.45Å; S229-Y231 PolarHBondContact O-N 3.45Å; Y231-L233 VanDerWaalsContact C-N 3.32Å; Y231-L233 PolarHBondContact O-N 2.81Å; Y231-V234 PolarHBondContact O-N 3.47Å; Y231-H235 AromaticContact CD1-CD2 3.91Å; Y231-H235 AromaticContact CD2-CD2 3.97Å; Y231-H235 AromaticContact CD2-NE2 3.97Å; Y231-H235 AromaticContact CE1-CD2 3.63Å; Y231-H235 AromaticContact CE1-CE1 3.92Å; Y231-H235 AromaticContact CE1-NE2 3.51Å; Y231-H235 AromaticContact CE2-CD2 3.69Å; Y231-H235 AromaticContact CE2-NE2 3.21Å; Y231-H235 WeakPolarHBondContact CE2-NE2 3.46Å; Y231-H235 AromaticContact CZ-CD2 3.53Å; Y231-H235 AromaticContact CZ-CE1 3.53Å; Y231-H235 AromaticContact CZ-NE2 2.95Å; Y231-H235 WeakPolarHBondContact O-CB 3.3Å; Y231-H235 PolarHBondContact O-CD2 3.42Å; Y231-H235 VanDerWaalsContact O-CD2 3.26Å; Y231-H235 PolarHBondContact O-N 3.05Å; Y231-H235 PolarHBondContact OH-CE1 3.02Å; Y231-H235 PolarHBondContact OH-NE2 3.34Å
232	D	92.6	Very high	93.1	Very high	81 Å²	81	49 Å²	49	43%	0.433	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-37.1	177.2	-63.1	-44.9	0	0	0	112.4	K228 S229 G236	K228-D232 HydrophobicContact CB-CB 4.5Å; S229-D232 PolarHBondContact N-OD2 2.83Å; S229-D232 PolarHBondContact O-N 2.83Å; S229-D232 PolarHBondContact OG-N 2.97Å; S229-D232 PolarHBondContact OG-OD2 3.14Å; D232-G236 WeakPolarHBondContact O-CA 3.49Å; D232-G236 PolarHBondContact O-N 3.39Å
233	L	94.8	Very high	92.8	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-46.1	175.2	-60.9	-170.1	0	0	0	111	F145 H149 Y155 M219 K228 S229 M230 Y231 H235 G236	F145-L233 HydrophobicContact CB-CB 4.15Å; H149-L233 HydrophobicContact CB-CD1 3.85Å; H149-L233 HydrophobicContact CB-CD2 3.81Å; Y155-L233 VanDerWaalsContact CE2-O 3.31Å; Y155-L233 WeakPolarHBondContact CE2-O 3.39Å; Y155-L233 VanDerWaalsContact CZ-O 3.27Å; Y155-L233 WeakPolarHBondContact OH-CA 3.26Å; Y155-L233 PolarHBondContact OH-O 3.01Å; M219-L233 HydrophobicContact CE-CD1 3.76Å; M219-L233 HydrophobicContact CE-CG 4.48Å; M219-L233 HydrophobicContact SD-CD1 3.87Å; K228-L233 HydrophobicContact CB-CD2 3.99Å; K228-L233 HydrophobicContact CB-CG 4.44Å; K228-L233 HydrophobicContact CD-CD2 3.76Å; S229-L233 WeakPolarHBondContact O-CG 3.39Å; S229-L233 PolarHBondContact O-N 2.82Å; S229-L233 VanDerWaalsContact O-N 3.13Å; M230-L233 PolarHBondContact O-N 2.87Å; M230-L233 HydrophobicContact SD-CD1 3.93Å; Y231-L233 VanDerWaalsContact C-N 3.32Å; Y231-L233 PolarHBondContact O-N 2.81Å; L233-H235 VanDerWaalsContact C-N 3.35Å; L233-H235 PolarHBondContact O-N 3.26Å; L233-G236 PolarHBondContact O-N 2.89Å; L233-G236 VanDerWaalsContact O-N 3.08Å
234	V	93.1	Very high	92.7	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.055	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-43.9	179.6	-175	0	0	0	0	109.8	F145 V168 L212 M230 Y231 G236 S237 W240	F145-V234 HydrophobicContact CD2-CG2 4.16Å; F145-V234 HydrophobicContact CE2-CG2 4.14Å; F145-V234 HydrophobicContact CZ-CG1 4.27Å; F145-V234 HydrophobicContact CZ-CG2 4.49Å; V168-V234 HydrophobicContact CG1-CB 4.32Å; V168-V234 HydrophobicContact CG1-CG1 3.55Å; L212-V234 HydrophobicContact CD2-CG2 4.2Å; M230-V234 WeakPolarHBondContact O-CG2 3.49Å; M230-V234 PolarHBondContact O-N 2.89Å; Y231-V234 PolarHBondContact O-N 3.47Å; V234-G236 VanDerWaalsContact C-N 3.25Å; V234-G236 PolarHBondContact O-N 3.31Å; V234-S237 WeakPolarHBondContact O-CB 3.37Å; V234-S237 PolarHBondContact O-N 2.97Å; V234-S237 PolarHBondContact O-OG 3.05Å; V234-W240 HydrophobicContact CG1-CH2 3.62Å; V234-W240 HydrophobicContact CG1-CZ2 3.92Å; V234-W240 WeakPolarHBondContact O-CZ2 2.92Å
235	H	90.1	Very high	92.7	Very high	24 Å²	24	38.9 Å²	38.9	11%	0.111	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-24.9	173.5	-85.7	-109.3	0	0	0	113.8	E167 V168 Y231 L233 S237 R461 H465	E167-H235 PolarHBondContact O-NE2 2.92Å; E167-H235 VanDerWaalsContact O-NE2 3.16Å; V168-H235 WeakPolarHBondContact CA-NE2 3.06Å; Y231-H235 AromaticContact CD1-CD2 3.91Å; Y231-H235 AromaticContact CD2-CD2 3.97Å; Y231-H235 AromaticContact CD2-NE2 3.97Å; Y231-H235 AromaticContact CE1-CD2 3.63Å; Y231-H235 AromaticContact CE1-CE1 3.92Å; Y231-H235 AromaticContact CE1-NE2 3.51Å; Y231-H235 AromaticContact CE2-CD2 3.69Å; Y231-H235 AromaticContact CE2-NE2 3.21Å; Y231-H235 WeakPolarHBondContact CE2-NE2 3.46Å; Y231-H235 AromaticContact CZ-CD2 3.53Å; Y231-H235 AromaticContact CZ-CE1 3.53Å; Y231-H235 AromaticContact CZ-NE2 2.95Å; Y231-H235 WeakPolarHBondContact O-CB 3.3Å; Y231-H235 PolarHBondContact O-CD2 3.42Å; Y231-H235 VanDerWaalsContact O-CD2 3.26Å; Y231-H235 PolarHBondContact O-N 3.05Å; Y231-H235 PolarHBondContact OH-CE1 3.02Å; Y231-H235 PolarHBondContact OH-NE2 3.34Å; L233-H235 VanDerWaalsContact C-N 3.35Å; L233-H235 PolarHBondContact O-N 3.26Å; H235-S237 PolarHBondContact O-N 2.91Å; H235-R461 VanDerWaalsContact O-CZ 3.22Å; H235-R461 PolarHBondContact O-NH1 3.3Å; H235-R461 PolarHBondContact O-NH2 3.29Å; H235-H465 AromaticContact ND1-ND1 3.53Å
236	G	91.2	Very high	92.9	Very high	29 Å²	29	36.4 Å²	36.4	30%	0.299	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.9	-179.6	0	0	0	0	0	114.6	Y155 D232 L233 V234 R461	Y155-G236 WeakPolarHBondContact OH-CA 3.48Å; D232-G236 WeakPolarHBondContact O-CA 3.49Å; D232-G236 PolarHBondContact O-N 3.39Å; L233-G236 PolarHBondContact O-N 2.89Å; L233-G236 VanDerWaalsContact O-N 3.08Å; V234-G236 VanDerWaalsContact C-N 3.25Å; V234-G236 PolarHBondContact O-N 3.31Å; G236-R461 PolarHBondContact O-NH1 3Å
237	S	93.5	Very high	93.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.			trans	-52.6	134.6	-177.4	-57.3	0	0	0	0	113.4	F145 Y155 V157 V234 H235	F145-S237 WeakPolarHBondContact CE1-OG 3.14Å; Y155-S237 WeakPolarHBondContact CE2-OG 3.31Å; V157-S237 WeakPolarHBondContact CG2-OG 3.42Å; V234-S237 WeakPolarHBondContact O-CB 3.37Å; V234-S237 PolarHBondContact O-N 2.97Å; V234-S237 PolarHBondContact O-OG 3.05Å; H235-S237 PolarHBondContact O-N 2.91Å
238	S	94.9	Very high	93.4	Very high	9 Å²	9	24 Å²	24	6%	0.063	13%	0.128	C	C	.	.	S	Bend	trans	-72	-39.8	-180	-57.2	0	0	0	0	112.1	Y155	Y155-S238 WeakPolarHBondContact O-CB 3.42Å; Y155-S238 PolarHBondContact O-N 3.27Å; Y155-S238 PolarHBondContact O-OG 3.04Å; Y155-S238 VanDerWaalsContact O-OG 3.13Å
239	L	95.1	Very high	93.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.			trans	-155.4	152.8	-177.1	-161	79.1	0	0	0	109.6	V157 M241 N257 V259 W447 I451 L460	V157-L239 PolarHBondContact N-O 2.81Å; L239-M241 HydrophobicContact CD2-CG 3.98Å; L239-M241 HydrophobicContact CD2-SD 4.5Å; L239-N257 WeakPolarHBondContact CA-O 3.31Å; L239-N257 HydrophobicContact CD1-CB 4.09Å; L239-N257 WeakPolarHBondContact CD1-O 3.4Å; L239-V259 HydrophobicContact CD1-CG1 4.38Å; L239-V259 HydrophobicContact CD2-CG1 4.48Å; L239-V259 HydrophobicContact CD2-CG2 3.87Å; L239-V259 HydrophobicContact CG-CG2 4.35Å; L239-W447 HydrophobicContact CD1-CE3 4.34Å; L239-W447 HydrophobicContact CD2-CB 3.62Å; L239-W447 HydrophobicContact CD2-CD2 3.87Å; L239-W447 HydrophobicContact CD2-CE3 3.77Å; L239-W447 HydrophobicContact CD2-CG 3.83Å; L239-I451 HydrophobicContact CB-CD1 3.51Å; L239-I451 HydrophobicContact CB-CG1 4.24Å; L239-I451 HydrophobicContact CD2-CD1 4.01Å; L239-I451 HydrophobicContact CG-CD1 4.39Å; L239-L460 HydrophobicContact CD1-CD1 4.03Å
240	W	95.1	Very high	93.3	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.011	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	108.8	174.1	-65.4	84.6	0	0	0	109.9	P139 F145 V157 W163 P165 V168 V234 N257 V258 V259	P139-W240 HydrophobicContact CB-CZ3 4.39Å; F145-W240 HydrophobicContact CZ-CH2 4.21Å; V157-W240 HydrophobicContact CB-CD2 3.88Å; V157-W240 HydrophobicContact CB-CE3 3.4Å; V157-W240 HydrophobicContact CB-CH2 4.42Å; V157-W240 HydrophobicContact CB-CZ3 3.71Å; V157-W240 HydrophobicContact CG1-CD2 4.37Å; V157-W240 HydrophobicContact CG1-CE3 3.41Å; V157-W240 VanDerWaalsContact CG1-CE3 3.41Å; V157-W240 HydrophobicContact CG1-CH2 4.42Å; V157-W240 HydrophobicContact CG1-CZ3 3.45Å; V157-W240 VanDerWaalsContact CG1-CZ3 3.45Å; V157-W240 HydrophobicContact CG2-CD2 3.98Å; V157-W240 HydrophobicContact CG2-CE3 3.68Å; V157-W240 HydrophobicContact CG2-CH2 3.8Å; V157-W240 HydrophobicContact CG2-CZ2 4.05Å; V157-W240 HydrophobicContact CG2-CZ3 3.58Å; W163-W240 HydrophobicContact CE3-CE3 4.44Å; W163-W240 HydrophobicContact CE3-CZ3 4.34Å; W163-W240 AromaticContact CH2-CE3 3.61Å; W163-W240 HydrophobicContact CH2-CE3 3.61Å; W163-W240 AromaticContact CH2-CH2 3.5Å; W163-W240 HydrophobicContact CH2-CH2 3.5Å; W163-W240 HydrophobicContact CH2-CZ2 4.47Å; W163-W240 AromaticContact CH2-CZ3 2.98Å; W163-W240 HydrophobicContact CH2-CZ3 2.98Å; W163-W240 HydrophobicContact CZ2-CH2 4.43Å; W163-W240 HydrophobicContact CZ2-CZ3 4.07Å; W163-W240 HydrophobicContact CZ3-CD2 4.33Å; W163-W240 AromaticContact CZ3-CE3 3.3Å; W163-W240 HydrophobicContact CZ3-CE3 3.3Å; W163-W240 HydrophobicContact CZ3-CH2 4.12Å; W163-W240 AromaticContact CZ3-CZ3 3.16Å; W163-W240 HydrophobicContact CZ3-CZ3 3.16Å; P165-W240 HydrophobicContact CB-CD2 3.94Å; P165-W240 HydrophobicContact CB-CE3 4.06Å; P165-W240 HydrophobicContact CB-CG 4.29Å; P165-W240 HydrophobicContact CB-CZ3 4.43Å; P165-W240 HydrophobicContact CG-CB 4.31Å; P165-W240 HydrophobicContact CG-CD2 4.32Å; P165-W240 HydrophobicContact CG-CG 4.24Å; V168-W240 HydrophobicContact CB-CZ2 4.24Å; V168-W240 HydrophobicContact CG1-CH2 4.28Å; V168-W240 HydrophobicContact CG1-CZ2 3.69Å; V168-W240 HydrophobicContact CG2-CH2 4.44Å; V168-W240 HydrophobicContact CG2-CZ2 3.67Å; V234-W240 HydrophobicContact CG1-CH2 3.62Å; V234-W240 HydrophobicContact CG1-CZ2 3.92Å; V234-W240 WeakPolarHBondContact O-CZ2 2.92Å; W240-N257 PolarHBondContact N-O 3.48Å; W240-V258 HydrophobicContact CB-CB 4.43Å; W240-V258 HydrophobicContact CB-CG1 4.42Å; W240-V258 HydrophobicContact CB-CG2 4.04Å; W240-V258 HydrophobicContact CG-CG2 4.38Å; W240-V258 CarbonylContact O-C 3.54Å; W240-V258 WeakPolarHBondContact O-CA 3.33Å; W240-V259 PolarHBondContact O-N 3.41Å
241	M	96.1	Very high	93.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	109	175.2	-65.6	171.1	-72.2	0	0	108.3	L136 A156 V157 F158 S159 L239 V259 V261 T444 W447 I448	L136-M241 HydrophobicContact CD2-CE 4.11Å; A156-M241 HydrophobicContact CB-CE 3.86Å; V157-M241 WeakPolarHBondContact O-CB 3.23Å; V157-M241 PolarHBondContact O-N 3.43Å; F158-M241 CarbonylContact C-O 3.6Å; F158-M241 WeakPolarHBondContact CA-O 3.27Å; F158-M241 HydrophobicContact CB-CE 4.34Å; F158-M241 HydrophobicContact CD2-CB 3.91Å; F158-M241 HydrophobicContact CD2-CE 4.26Å; F158-M241 HydrophobicContact CD2-SD 4.37Å; F158-M241 HydrophobicContact CE2-CB 4.39Å; S159-M241 PolarHBondContact N-O 3.09Å; L239-M241 HydrophobicContact CD2-CG 3.98Å; L239-M241 HydrophobicContact CD2-SD 4.5Å; M241-V259 HydrophobicContact CB-CG2 4.23Å; M241-V259 HydrophobicContact CG-CG2 3.62Å; M241-V261 HydrophobicContact CB-CG2 3.85Å; M241-T444 HydrophobicContact SD-CG2 3.89Å; M241-W447 HydrophobicContact SD-CB 4.14Å; M241-I448 HydrophobicContact CE-CG1 4.23Å; M241-I448 HydrophobicContact SD-CG1 4.21Å
242	L	94.6	Very high	93.2	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.6	-178.6	-51.3	-176.2	0	0	0	109	W163 Y164 T244 V258 V259 Y260 V261	W163-L242 HydrophobicContact CE3-CD2 4.12Å; W163-L242 HydrophobicContact CZ3-CD2 4.34Å; Y164-L242 HydrophobicContact CD2-CD1 3.87Å; Y164-L242 HydrophobicContact CE2-CD1 4.39Å; L242-T244 HydrophobicContact CB-CG2 4Å; L242-T244 PolarHBondContact O-N 3.37Å; L242-V258 HydrophobicContact CD1-CG1 3.68Å; L242-V258 HydrophobicContact CG-CG1 4.1Å; L242-V259 PolarHBondContact N-O 3.36Å; L242-Y260 HydrophobicContact CB-CD1 4.28Å; L242-Y260 HydrophobicContact CD1-CD1 4.38Å; L242-Y260 HydrophobicContact CD1-CE1 3.95Å; L242-V261 WeakPolarHBondContact O-CG2 3.5Å; L242-V261 PolarHBondContact O-N 3.21Å
243	C	92.1	Very high	93.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	11%	0.109	C	C	.	.	S	Bend	trans	-75.5	44.1	174.7	-167.2	0	0	0	0	111.8	F158 S159 L361 F365	F158-C243 HydrophobicContact CE1-CB 4.19Å; F158-C243 HydrophobicContact CZ-CB 4.26Å; S159-C243 WeakPolarHBondContact O-CA 3.28Å; S159-C243 WeakPolarHBondContact O-CB 3.4Å; S159-C243 PolarHBondContact O-N 3.45Å; C243-L361 WeakPolarHBondContact O-CD2 3.47Å; C243-F365 VanDerWaalsContact O-CE2 3.26Å; C243-F365 WeakPolarHBondContact O-CE2 3.27Å
244	T	91.6	Very high	93.1	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.025	13%	0.126	C	C	.	.			trans	-128.4	170.6	171.5	-162.7	0	0	0	0	109.6	L242 E249 Y260 V261 G262	L242-T244 HydrophobicContact CB-CG2 4Å; L242-T244 PolarHBondContact O-N 3.37Å; T244-E249 HydrophobicContact CG2-CG 3.67Å; T244-E249 WeakPolarHBondContact OG1-CG 3.39Å; T244-E249 PolarHBondContact OG1-OE1 3.32Å; T244-Y260 HydrophobicContact CG2-CD1 3.53Å; T244-Y260 HydrophobicContact CG2-CE1 3.71Å; T244-Y260 WeakPolarHBondContact O-CB 3.38Å; T244-V261 PolarHBondContact O-N 2.94Å; T244-G262 WeakPolarHBondContact O-CA 3.41Å; T244-G262 PolarHBondContact O-N 3.36Å
245	D	90.9	Very high	93	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.			trans	-141.2	170	-178.3	92.3	-26.6	0	0	0	113.2	A247 L248 E249 F365 H433 Q436	D245-A247 VanDerWaalsContact C-N 3.28Å; D245-A247 PolarHBondContact O-N 2.91Å; D245-A247 WeakPolarHBondContact OD1-CB 3.33Å; D245-A247 PolarHBondContact OD1-N 3.42Å; D245-A247 VanDerWaalsContact OD1-N 3.1Å; D245-A247 WeakPolarHBondContact OD2-CB 3.47Å; D245-L248 PolarHBondContact OD1-N 3.17Å; D245-E249 VanDerWaalsContact O-CB 3.22Å; D245-E249 WeakPolarHBondContact O-CB 3.2Å; D245-E249 WeakPolarHBondContact O-CG 3.39Å; D245-E249 PolarHBondContact O-N 3.48Å; D245-F365 HydrophobicContact CB-CE1 3.98Å; D245-F365 HydrophobicContact CB-CZ 4.3Å; D245-H433 IonicContact OD2-CE1 3.57Å; D245-H433 IonicContact OD2-CG 3.9Å; D245-H433 IonicContact OD2-ND1 2.89Å; D245-H433 PolarHBondContact OD2-ND1 2.98Å; D245-Q436 PolarHBondContact OD2-NE2 3.33Å
246	V	91.6	Very high	93.2	Very high	83 Å²	83	23.6 Å²	23.6	50%	0.503	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.8	-177.9	-62	0	0	0	0	113.7	Y260	V246-Y260 HydrophobicContact CG1-CD2 4.12Å
247	A	94.8	Very high	93.3	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.017	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-50.2	178.3	0	0	0	0	0	110.2	D245 M368 K393 I432 H433	D245-A247 VanDerWaalsContact C-N 3.28Å; D245-A247 PolarHBondContact O-N 2.91Å; D245-A247 WeakPolarHBondContact OD1-CB 3.33Å; D245-A247 PolarHBondContact OD1-N 3.42Å; D245-A247 VanDerWaalsContact OD1-N 3.1Å; D245-A247 WeakPolarHBondContact OD2-CB 3.47Å; A247-M368 HydrophobicContact CB-CE 4.15Å; A247-M368 HydrophobicContact CB-SD 3.95Å; A247-K393 WeakPolarHBondContact O-CE 3.35Å; A247-K393 PolarHBondContact O-NZ 3.27Å; A247-I432 HydrophobicContact CB-CB 4.15Å; A247-I432 HydrophobicContact CB-CG2 3.84Å; A247-H433 HydrophobicContact CB-CB 4.11Å
248	L	94.1	Very high	93.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-36.5	-177.8	-171.6	61.4	0	0	0	112.8	D245 I364 F365 M368 T386 R389 V390 K393	D245-L248 PolarHBondContact OD1-N 3.17Å; L248-I364 HydrophobicContact CD2-CG2 3.97Å; L248-F365 HydrophobicContact CD2-CZ 4.32Å; L248-M368 HydrophobicContact CB-CE 4.15Å; L248-M368 HydrophobicContact CB-SD 4.19Å; L248-T386 HydrophobicContact CD2-CG2 4.35Å; L248-R389 HydrophobicContact CD1-CB 3.86Å; L248-R389 HydrophobicContact CG-CB 4.13Å; L248-V390 HydrophobicContact CD1-CG2 4.07Å; L248-K393 VanDerWaalsContact O-CE 3.32Å; L248-K393 WeakPolarHBondContact O-CE 3.49Å
249	E	92.4	Very high	93.3	Very high	18 Å²	18	22.9 Å²	22.9	8%	0.084	14%	0.137	C	C	.	.	S	Bend	trans	-69.6	157.9	-177.4	-77.6	-62.9	166.6	0	0	114.6	L162 T244 D245 R389 K393	L162-E249 WeakPolarHBondContact CD1-OE1 3.18Å; T244-E249 HydrophobicContact CG2-CG 3.67Å; T244-E249 WeakPolarHBondContact OG1-CG 3.39Å; T244-E249 PolarHBondContact OG1-OE1 3.32Å; D245-E249 VanDerWaalsContact O-CB 3.22Å; D245-E249 WeakPolarHBondContact O-CB 3.2Å; D245-E249 WeakPolarHBondContact O-CG 3.39Å; D245-E249 PolarHBondContact O-N 3.48Å; E249-R389 IonicContact OE1-NE 3.1Å; E249-R389 PolarHBondContact OE1-NE 3.28Å; E249-R389 IonicContact OE1-NH2 2.86Å; E249-R389 IonicContact OE2-CZ 2.91Å; E249-R389 IonicContact OE2-NE 3.45Å; E249-R389 PolarHBondContact OE2-NE 2.79Å; E249-R389 IonicContact OE2-NH2 3.7Å; E249-R389 PolarHBondContact OE2-NH2 3.22Å; E249-K393 WeakPolarHBondContact O-CE 3.38Å; E249-K393 PolarHBondContact O-NZ 2.71Å
250	F	94	Very high	93.3	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.035	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-76.7	135.4	164.4	-62.9	-60	0	0	0	110.2	P178 T185 D186 R252 R389 A392	P178-F250 HydrophobicContact CG-CD2 3.48Å; P178-F250 VanDerWaalsContact CG-CD2 3.48Å; P178-F250 HydrophobicContact CG-CE2 3.74Å; P178-F250 HydrophobicContact CG-CG 4.45Å; T185-F250 HydrophobicContact CG2-CZ 4.21Å; D186-F250 HydrophobicContact CB-CB 4.03Å; D186-F250 HydrophobicContact CB-CD1 3.79Å; D186-F250 HydrophobicContact CB-CE1 4.46Å; D186-F250 HydrophobicContact CB-CG 3.93Å; F250-R252 PolarHBondContact O-N 3.4Å; F250-R389 HydrophobicContact CD2-CG 4.31Å; F250-R389 HydrophobicContact CE2-CG 3.79Å; F250-R389 HydrophobicContact CZ-CG 4.15Å; F250-A392 HydrophobicContact CE1-CB 3.85Å; F250-A392 HydrophobicContact CZ-CB 3.72Å
251	P	92.4	Very high	93.3	Very high	92 Å²	92	24.6 Å²	24.6	60%	0.597	14%	0.143	S	C	*	.	P	Polyproline II helix	trans	-55.6	130.2	177	-26	34.9	0	0	0	111.9
252	R	92.6	Very high	93.2	Very high	37 Å²	37	24.6 Å²	24.6	14%	0.14	14%	0.144	C	C	.	.			trans	-150.8	154.7	179.9	69	-172.7	-56.4	164.5	6.9	111.9	Y164 P171 V177 F250	Y164-R252 VanDerWaalsContact CD1-NH2 3.27Å; Y164-R252 VanDerWaalsContact CE1-CZ 3.42Å; Y164-R252 HydrophobicContact CE2-CG 4.42Å; Y164-R252 VanDerWaalsContact CG-CZ 3.49Å; Y164-R252 VanDerWaalsContact CG-NH1 3.27Å; P171-R252 PolarHBondContact O-NH2 3.24Å; V177-R252 HydrophobicContact CG1-CB 4.36Å; V177-R252 HydrophobicContact CG2-CB 3.78Å; F250-R252 PolarHBondContact O-N 3.4Å
253	P	92.4	Very high	93.2	Very high	50 Å²	50	24.6 Å²	24.6	33%	0.325	14%	0.144	S	C	.	.			trans	-65.7	137.2	168.8	24.3	-32.1	0	0	0	110.2	Y164 P171 P173 Y176	Y164-P253 PolarHBondContact OH-O 2.95Å; P171-P253 HydrophobicContact CB-CB 3.91Å; P171-P253 HydrophobicContact CB-CG 3.7Å; P171-P253 HydrophobicContact CG-CB 4.35Å; P173-P253 HydrophobicContact CG-CG 3.75Å; Y176-P253 WeakPolarHBondContact OH-CD 3.47Å
254	T	91.7	Very high	93.4	Very high	61 Å²	61	24.6 Å²	24.6	37%	0.374	14%	0.144	S	C	.	.			trans	-128.6	160.4	178.8	-165.6	0	0	0	0	110.9	Y164 V258	Y164-T254 WeakPolarHBondContact OH-CA 3.12Å; T254-V258 WeakPolarHBondContact OG1-CB 3.3Å; T254-V258 WeakPolarHBondContact OG1-CG1 3.29Å
255	L	92.3	Very high	93.5	Very high	17 Å²	17	25.9 Å²	25.9	9%	0.089	15%	0.15	C	C	.	.			trans	-86.9	153.9	172.7	-64	177.8	0	0	0	110.8	A170 P171 N257 V258 A462 V464	A170-L255 HydrophobicContact CB-CD1 4.15Å; A170-L255 HydrophobicContact CB-CG 4.31Å; P171-L255 HydrophobicContact CG-CD2 4.36Å; L255-N257 WeakPolarHBondContact CB-OD1 3.48Å; L255-N257 PolarHBondContact O-N 3.3Å; L255-N257 VanDerWaalsContact O-N 3.14Å; L255-V258 HydrophobicContact CB-CG2 4.08Å; L255-V258 PolarHBondContact O-N 3.48Å; L255-A462 HydrophobicContact CD2-CB 3.78Å; L255-V464 HydrophobicContact CD1-CG1 4.37Å
256	P	93.3	Very high	93.8	Very high	80 Å²	80	26 Å²	26	52%	0.519	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.9	178	-23.8	34.1	0	0	0	114.2	V258 L460	P256-V258 VanDerWaalsContact C-N 3.32Å; P256-L460 HydrophobicContact CB-CB 4.26Å; P256-L460 HydrophobicContact CB-CD2 4.12Å
257	N	93.4	Very high	94	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	10.2	176.3	70.2	-34.5	0	0	0	114.1	L239 W240 L255 L460	L239-N257 WeakPolarHBondContact CA-O 3.31Å; L239-N257 HydrophobicContact CD1-CB 4.09Å; L239-N257 WeakPolarHBondContact CD1-O 3.4Å; W240-N257 PolarHBondContact N-O 3.48Å; L255-N257 WeakPolarHBondContact CB-OD1 3.48Å; L255-N257 PolarHBondContact O-N 3.3Å; L255-N257 VanDerWaalsContact O-N 3.14Å; N257-L460 HydrophobicContact CB-CB 3.9Å; N257-L460 PolarHBondContact N-O 2.76Å
258	V	94.5	Very high	94.1	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117	177	179.3	0	0	0	0	108.8	Y164 P165 A170 W240 L242 T254 L255 P256	Y164-V258 HydrophobicContact CE2-CG1 4.4Å; P165-V258 HydrophobicContact CG-CG1 3.92Å; P165-V258 HydrophobicContact CG-CG2 3.7Å; A170-V258 HydrophobicContact CB-CG2 4.39Å; W240-V258 HydrophobicContact CB-CB 4.43Å; W240-V258 HydrophobicContact CB-CG1 4.42Å; W240-V258 HydrophobicContact CB-CG2 4.04Å; W240-V258 HydrophobicContact CG-CG2 4.38Å; W240-V258 CarbonylContact O-C 3.54Å; W240-V258 WeakPolarHBondContact O-CA 3.33Å; L242-V258 HydrophobicContact CD1-CG1 3.68Å; L242-V258 HydrophobicContact CG-CG1 4.1Å; T254-V258 WeakPolarHBondContact OG1-CB 3.3Å; T254-V258 WeakPolarHBondContact OG1-CG1 3.29Å; L255-V258 HydrophobicContact CB-CG2 4.08Å; L255-V258 PolarHBondContact O-N 3.48Å; P256-V258 VanDerWaalsContact C-N 3.32Å
259	V	94.3	Very high	94.2	Very high	15 Å²	15	33.6 Å²	33.6	9%	0.091	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.3	-170.3	-56.8	0	0	0	0	111.5	L239 W240 M241 L242 V261 W447	L239-V259 HydrophobicContact CD1-CG1 4.38Å; L239-V259 HydrophobicContact CD2-CG1 4.48Å; L239-V259 HydrophobicContact CD2-CG2 3.87Å; L239-V259 HydrophobicContact CG-CG2 4.35Å; W240-V259 PolarHBondContact O-N 3.41Å; M241-V259 HydrophobicContact CB-CG2 4.23Å; M241-V259 HydrophobicContact CG-CG2 3.62Å; L242-V259 PolarHBondContact N-O 3.36Å; V259-V261 HydrophobicContact CG2-CG1 4.42Å; V259-W447 HydrophobicContact CB-CZ2 4.47Å; V259-W447 HydrophobicContact CG1-CD2 4.09Å; V259-W447 HydrophobicContact CG1-CH2 4.13Å; V259-W447 HydrophobicContact CG1-CZ2 3.6Å; V259-W447 HydrophobicContact CG2-CD2 4.35Å; V259-W447 HydrophobicContact CG2-CG 4.07Å
260	Y	94.7	Very high	94.4	Very high	38 Å²	38	35.4 Å²	35.4	15%	0.149	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.7	-178.9	-62.6	-64.2	0	0	0	111.3	L242 T244 V246 R443	L242-Y260 HydrophobicContact CB-CD1 4.28Å; L242-Y260 HydrophobicContact CD1-CD1 4.38Å; L242-Y260 HydrophobicContact CD1-CE1 3.95Å; T244-Y260 HydrophobicContact CG2-CD1 3.53Å; T244-Y260 HydrophobicContact CG2-CE1 3.71Å; T244-Y260 WeakPolarHBondContact O-CB 3.38Å; V246-Y260 HydrophobicContact CG1-CD2 4.12Å; Y260-R443 PolarHBondContact O-NH1 3.31Å; Y260-R443 VanDerWaalsContact O-NH1 3.15Å
261	V	95.4	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.247	C	C	.	.			trans	-135.1	25.4	-177.2	-62.3	0	0	0	0	112.6	F158 M241 L242 T244 V259 I264 R443 T444	F158-V261 HydrophobicContact CE2-CG2 3.71Å; F158-V261 HydrophobicContact CZ-CG2 4.15Å; M241-V261 HydrophobicContact CB-CG2 3.85Å; L242-V261 WeakPolarHBondContact O-CG2 3.5Å; L242-V261 PolarHBondContact O-N 3.21Å; T244-V261 PolarHBondContact O-N 2.94Å; V259-V261 HydrophobicContact CG2-CG1 4.42Å; V261-I264 VanDerWaalsContact O-CD1 3.27Å; V261-I264 WeakPolarHBondContact O-CD1 3.48Å; V261-R443 HydrophobicContact CG1-CG 4.48Å; V261-T444 VanDerWaalsContact CB-OG1 3.31Å; V261-T444 WeakPolarHBondContact CB-OG1 2.99Å
262	G	93.4	Very high	94.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	22%	0.223	C	C	.	.			trans	-59.2	149.4	177.9	0	0	0	0	0	113.7	T244 P440	T244-G262 WeakPolarHBondContact O-CA 3.41Å; T244-G262 PolarHBondContact O-N 3.36Å; G262-P440 VanDerWaalsContact O-CB 3.29Å; G262-P440 WeakPolarHBondContact O-CB 3.46Å; G262-P440 WeakPolarHBondContact O-CG 3.38Å
263	G	94.7	Very high	94.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	24%	0.235	C	C	.	.			trans	90.3	28.9	-178.8	0	0	0	0	0	115	L265 T266	G263-L265 PolarHBondContact O-N 3.11Å; G263-T266 PolarHBondContact O-N 3.17Å; G263-T266 VanDerWaalsContact O-N 3.17Å; G263-T266 PolarHBondContact O-OG1 3.49Å
264	I	96.4	Very high	94.9	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38	179.8	-62.7	-55.5	0	0	0	113.2	I37 T40 L41 F158 V261 P440 V441 T444	I37-I264 HydrophobicContact CG2-CB 4.18Å; I37-I264 HydrophobicContact CG2-CG1 4.17Å; I37-I264 HydrophobicContact CG2-CG2 3.94Å; T40-I264 HydrophobicContact CG2-CG2 4.01Å; L41-I264 HydrophobicContact CD2-CD1 4.14Å; L41-I264 HydrophobicContact CD2-CG2 4.2Å; L41-I264 HydrophobicContact CG-CG2 4.34Å; F158-I264 HydrophobicContact CE2-CD1 4.47Å; F158-I264 HydrophobicContact CE2-CG1 4.48Å; F158-I264 HydrophobicContact CZ-CD1 4.24Å; F158-I264 HydrophobicContact CZ-CG1 3.79Å; V261-I264 VanDerWaalsContact O-CD1 3.27Å; V261-I264 WeakPolarHBondContact O-CD1 3.48Å; I264-P440 HydrophobicContact CD1-CB 4Å; I264-V441 HydrophobicContact CD1-CG2 4.47Å; I264-V441 HydrophobicContact CG2-CG2 4.05Å; I264-V441 WeakPolarHBondContact O-CG2 3.49Å; I264-T444 WeakPolarHBondContact CD1-OG1 3.4Å
265	L	95.4	Very high	95	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.157	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.8	-175.8	-58.7	-177.2	0	0	0	114	I37 T40 G263 N362	I37-L265 HydrophobicContact CG1-CD1 4.15Å; I37-L265 HydrophobicContact CG1-CD2 4.44Å; I37-L265 HydrophobicContact CG1-CG 4.17Å; T40-L265 WeakPolarHBondContact OG1-CD2 3.34Å; G263-L265 PolarHBondContact O-N 3.11Å; L265-N362 HydrophobicContact CD1-CB 4.12Å
266	T	95.6	Very high	95.1	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	25%	0.248	C	C	.	.			trans	-71.1	139.4	-178.4	65.9	0	0	0	0	110.4	G263 F365 Y369 H439	G263-T266 PolarHBondContact O-N 3.17Å; G263-T266 VanDerWaalsContact O-N 3.17Å; G263-T266 PolarHBondContact O-OG1 3.49Å; T266-F365 HydrophobicContact CG2-CB 3.98Å; T266-Y369 HydrophobicContact CG2-CD2 4.26Å; T266-Y369 HydrophobicContact CG2-CG 4.19Å; T266-H439 PolarHBondContact O-CE1 3.2Å; T266-H439 PolarHBondContact O-NE2 3.14Å
267	K	95.8	Very high	95.2	Very high	108 Å²	108	41.4 Å²	41.4	47%	0.47	24%	0.235	S	C	.	.			trans	-157.5	160.4	175.6	60.1	-176	-179	175.8	0	111	N344 Y369 H370	K267-N344 VanDerWaalsContact CG-ND2 3.34Å; K267-N344 WeakPolarHBondContact CG-ND2 3.27Å; K267-N344 PolarHBondContact N-OD1 2.87Å; K267-N344 PolarHBondContact O-ND2 3.39Å; K267-N344 PolarHBondContact O-OD1 3.44Å; K267-Y369 WeakPolarHBondContact O-CE1 3.37Å; K267-H370 PolarHBondContact O-CE1 3.26Å; K267-H370 PolarHBondContact O-NE2 3.39Å
268	P	97	Very high	95.3	Very high	90 Å²	90	49 Å²	49	58%	0.584	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-51.6	147.2	167.5	-24.5	34.6	0	0	0	111.7	N344 Y369	P268-N344 PolarHBondContact O-ND2 3.5Å; P268-Y369 WeakPolarHBondContact CD-OH 3.38Å
269	A	97	Very high	95.3	Very high	46 Å²	46	51.5 Å²	51.5	38%	0.38	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-68.3	134.2	179.2	0	0	0	0	0	111.1	D345	A269-D345 WeakPolarHBondContact CA-OD1 3.37Å; A269-D345 HydrophobicContact CB-CB 4.43Å
270	S	96.6	Very high	95.3	Very high	57 Å²	57	50.8 Å²	50.8	40%	0.399	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-86.9	160	168.9	-52.9	0	0	0	0	110.2	L272 D345	S270-L272 PolarHBondContact O-N 3.28Å; S270-D345 PolarHBondContact N-OD1 2.81Å
271	P	95.9	Very high	95.1	Very high	125 Å²	125	52.7 Å²	52.7	81%	0.812	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-55.7	138.8	172.3	-25.8	35.4	0	0	0	112.1
272	L	96.3	Very high	94.8	Very high	18 Å²	18	54.4 Å²	54.4	9%	0.094	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-77.9	151.2	179.1	-63.1	173.7	0	0	0	111.2	S270 L276 Q277 V280 P342 D345 L346	S270-L272 PolarHBondContact O-N 3.28Å; L272-L276 HydrophobicContact CB-CB 4.47Å; L272-Q277 HydrophobicContact CB-CB 4.28Å; L272-V280 HydrophobicContact CD1-CG2 4.01Å; L272-P342 HydrophobicContact CD2-CG 4.09Å; L272-D345 HydrophobicContact CD2-CB 3.7Å; L272-L346 HydrophobicContact CD1-CD2 3.67Å; L272-L346 HydrophobicContact CD2-CD2 3.85Å; L272-L346 HydrophobicContact CD2-CG 3.83Å; L272-L346 HydrophobicContact CG-CD2 4.44Å
273	P	95.3	Very high	94.5	Very high	62 Å²	62	54.7 Å²	54.7	40%	0.403	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-52	144.9	164.2	-25.4	34.5	0	0	0	111.7	D275 L276 Q277	P273-D275 VanDerWaalsContact C-N 3.26Å; P273-D275 PolarHBondContact O-N 2.97Å; P273-D275 VanDerWaalsContact O-N 3.17Å; P273-L276 HydrophobicContact CG-CD1 4.38Å; P273-L276 PolarHBondContact O-N 2.64Å; P273-L276 VanDerWaalsContact O-N 3.07Å; P273-Q277 PolarHBondContact O-N 2.96Å
274	E	94.3	Very high	94.1	Very high	133 Å²	133	59.7 Å²	59.7	62%	0.621	33%	0.327	S	S	*	.	H	α-helix	trans	-56.9	-37.4	-170.1	-162.4	-153.8	119.4	0	0	113.2	Q277 R278	E274-Q277 PolarHBondContact O-N 3.47Å; E274-R278 WeakPolarHBondContact O-CB 3.31Å; E274-R278 WeakPolarHBondContact O-CG 3.15Å; E274-R278 PolarHBondContact O-N 2.91Å; E274-R278 IonicContact OE1-CZ 3.38Å; E274-R278 IonicContact OE1-NE 3.52Å; E274-R278 PolarHBondContact OE1-NE 2.86Å; E274-R278 IonicContact OE1-NH2 3.02Å; E274-R278 PolarHBondContact OE1-NH2 3.1Å
275	D	93.7	Very high	93.9	Very high	73 Å²	73	66.5 Å²	66.5	39%	0.39	36%	0.359	S	S	.	.	H	α-helix	trans	-69.2	-36.8	-179.6	78.6	-60.5	0	0	0	112.6	P273 W279 K336	P273-D275 VanDerWaalsContact C-N 3.26Å; P273-D275 PolarHBondContact O-N 2.97Å; P273-D275 VanDerWaalsContact O-N 3.17Å; D275-W279 PolarHBondContact O-N 2.94Å; D275-K336 IonicContact OD2-NZ 3.42Å; D275-K336 PolarHBondContact OD2-NZ 3.4Å
276	L	95.2	Very high	93.9	Very high	8 Å²	8	69 Å²	69	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-73.7	-41.4	173.7	-67.7	-177.9	0	0	0	110.4	L272 P273 R278 W279 V280 I320 I338 P342	L272-L276 HydrophobicContact CB-CB 4.47Å; P273-L276 HydrophobicContact CG-CD1 4.38Å; P273-L276 PolarHBondContact O-N 2.64Å; P273-L276 VanDerWaalsContact O-N 3.07Å; L276-R278 VanDerWaalsContact C-N 3.35Å; L276-R278 PolarHBondContact O-N 3.38Å; L276-W279 PolarHBondContact O-N 3.5Å; L276-V280 WeakPolarHBondContact O-CG2 3.49Å; L276-V280 PolarHBondContact O-N 3.45Å; L276-I320 HydrophobicContact CD2-CD1 4.35Å; L276-I338 HydrophobicContact CD2-CD1 4.36Å; L276-P342 HydrophobicContact CD1-CG 3.62Å
277	Q	94.2	Very high	94	Very high	52 Å²	52	68.9 Å²	68.9	24%	0.243	37%	0.369	C	S	.	.	H	α-helix	trans	-59.2	-45.7	176.6	-169	63.3	59.1	0	0	111.1	L272 P273 E274 W279 V280 N281 H349	L272-Q277 HydrophobicContact CB-CB 4.28Å; P273-Q277 PolarHBondContact O-N 2.96Å; E274-Q277 PolarHBondContact O-N 3.47Å; Q277-W279 PolarHBondContact O-N 3.38Å; Q277-V280 WeakPolarHBondContact O-CG2 3.4Å; Q277-V280 PolarHBondContact O-N 2.89Å; Q277-N281 PolarHBondContact NE2-ND2 3.38Å; Q277-N281 PolarHBondContact NE2-OD1 3.03Å; Q277-N281 WeakPolarHBondContact O-CB 3.29Å; Q277-N281 PolarHBondContact O-N 3.37Å; Q277-N281 PolarHBondContact O-ND2 2.92Å; Q277-H349 PolarHBondContact NE2-NE2 3.24Å; Q277-H349 VanDerWaalsContact NE2-NE2 3.12Å
278	R	94.7	Very high	94.1	Very high	161 Å²	161	63.8 Å²	63.8	61%	0.608	35%	0.347	S	S	*	.	H	α-helix	trans	-60	-43.6	174.9	-79	-171.2	-84.5	147.2	-10.8	112	E274 L276 G282	E274-R278 WeakPolarHBondContact O-CB 3.31Å; E274-R278 WeakPolarHBondContact O-CG 3.15Å; E274-R278 PolarHBondContact O-N 2.91Å; E274-R278 IonicContact OE1-CZ 3.38Å; E274-R278 IonicContact OE1-NE 3.52Å; E274-R278 PolarHBondContact OE1-NE 2.86Å; E274-R278 IonicContact OE1-NH2 3.02Å; E274-R278 PolarHBondContact OE1-NH2 3.1Å; L276-R278 VanDerWaalsContact C-N 3.35Å; L276-R278 PolarHBondContact O-N 3.38Å; R278-G282 PolarHBondContact O-N 3.17Å; R278-G282 VanDerWaalsContact O-N 3.09Å
279	W	95.3	Very high	94.2	Very high	58 Å²	58	59.5 Å²	59.5	22%	0.22	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-48.6	178.6	-176.7	-99.9	0	0	0	112.9	D275 L276 Q277 G282 K318 V319 N334 K336	D275-W279 PolarHBondContact O-N 2.94Å; L276-W279 PolarHBondContact O-N 3.5Å; Q277-W279 PolarHBondContact O-N 3.38Å; W279-G282 PolarHBondContact O-N 3.1Å; W279-K318 HydrophobicContact CH2-CD 4.2Å; W279-K318 HydrophobicContact CZ2-CD 3.81Å; W279-V319 PolarHBondContact NE1-O 3.36Å; W279-N334 WeakPolarHBondContact CZ2-O 3.16Å; W279-K336 HydrophobicContact CD2-CB 4.13Å; W279-K336 HydrophobicContact CD2-CD 4.04Å; W279-K336 HydrophobicContact CE3-CD 4.3Å; W279-K336 HydrophobicContact CG-CD 4.16Å; W279-K336 HydrophobicContact CH2-CB 4.16Å; W279-K336 HydrophobicContact CZ2-CB 3.63Å
280	V	94.2	Very high	94.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70	-32.6	180	-59.1	0	0	0	0	112.1	L272 L276 Q277 A283 F288 I320 L346 K351	L272-V280 HydrophobicContact CD1-CG2 4.01Å; L276-V280 WeakPolarHBondContact O-CG2 3.49Å; L276-V280 PolarHBondContact O-N 3.45Å; Q277-V280 WeakPolarHBondContact O-CG2 3.4Å; Q277-V280 PolarHBondContact O-N 2.89Å; V280-A283 WeakPolarHBondContact O-CB 3.34Å; V280-A283 PolarHBondContact O-N 3.42Å; V280-F288 HydrophobicContact CB-CD1 3.98Å; V280-F288 HydrophobicContact CB-CE1 4.05Å; V280-F288 HydrophobicContact CG1-CD1 3.92Å; V280-F288 HydrophobicContact CG1-CD2 4.25Å; V280-F288 HydrophobicContact CG1-CE1 3.88Å; V280-F288 HydrophobicContact CG1-CE2 4.2Å; V280-F288 HydrophobicContact CG1-CG 4.1Å; V280-F288 HydrophobicContact CG1-CZ 4.01Å; V280-I320 HydrophobicContact CG1-CD1 3.59Å; V280-L346 HydrophobicContact CG1-CD2 4Å; V280-K351 WeakPolarHBondContact O-CD 3.46Å
281	N	90.5	Very high	94.3	Very high	78 Å²	78	54.6 Å²	54.6	42%	0.417	28%	0.282	S	S	.	.	H	α-helix	trans	-66.4	-39.1	176.1	-76.7	-9.1	0	0	0	111.6	Q277 A283 K351	Q277-N281 PolarHBondContact NE2-ND2 3.38Å; Q277-N281 PolarHBondContact NE2-OD1 3.03Å; Q277-N281 WeakPolarHBondContact O-CB 3.29Å; Q277-N281 PolarHBondContact O-N 3.37Å; Q277-N281 PolarHBondContact O-ND2 2.92Å; N281-A283 PolarHBondContact O-N 3.31Å; N281-A283 VanDerWaalsContact O-N 3.09Å; N281-K351 PolarHBondContact O-NZ 3.08Å
282	G	90.3	Very high	94.4	Very high	37 Å²	37	48.7 Å²	48.7	38%	0.381	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	3.8	174.6	0	0	0	0	0	115.2	R278 W279 N284	R278-G282 PolarHBondContact O-N 3.17Å; R278-G282 VanDerWaalsContact O-N 3.09Å; W279-G282 PolarHBondContact O-N 3.1Å; G282-N284 PolarHBondContact O-N 2.95Å
283	A	86.9	Confident	94.3	Very high	6 Å²	6	48.1 Å²	48.1	5%	0.05	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	8.4	176.5	0	0	0	0	0	114.6	V280 N281 H286 G287 F288 K318	V280-A283 WeakPolarHBondContact O-CB 3.34Å; V280-A283 PolarHBondContact O-N 3.42Å; N281-A283 PolarHBondContact O-N 3.31Å; N281-A283 VanDerWaalsContact O-N 3.09Å; A283-H286 PolarHBondContact O-N 2.71Å; A283-G287 WeakPolarHBondContact CB-O 3.45Å; A283-G287 PolarHBondContact O-N 3.31Å; A283-F288 HydrophobicContact CB-CB 4.39Å; A283-K318 HydrophobicContact CB-CB 3.8Å; A283-K318 HydrophobicContact CB-CG 3.56Å
284	N	86.5	Confident	93.8	Very high	107 Å²	107	45.4 Å²	45.4	57%	0.572	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.4	-141.7	178.6	-60.7	-12.8	0	0	0	112.6	G282 K351	G282-N284 PolarHBondContact O-N 2.95Å; N284-K351 PolarHBondContact O-NZ 3.28Å; N284-K351 VanDerWaalsContact O-NZ 3.09Å
285	E	90.8	Very high	93	Very high	145 Å²	145	41.1 Å²	41.1	68%	0.678	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.8	176.8	64.7	-87.2	-166.1	0	0	113.7	G287	E285-G287 VanDerWaalsContact C-N 3.29Å; E285-G287 PolarHBondContact O-N 2.9Å
286	H	95.5	Very high	92.1	Very high	82 Å²	82	38.7 Å²	38.7	38%	0.38	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.1	-177.8	-63.8	-49.3	0	0	0	112.6	A283 P316 Q317 K353	A283-H286 PolarHBondContact O-N 2.71Å; H286-P316 HydrophobicContact CB-CB 4.49Å; H286-Q317 HydrophobicContact CB-CG 4.45Å; H286-Q317 WeakPolarHBondContact O-CG 3.24Å; H286-K353 WeakPolarHBondContact O-CE 3.43Å; H286-K353 VanDerWaalsContact O-CG 3.28Å; H286-K353 WeakPolarHBondContact O-CG 3.49Å
287	G	97.6	Very high	91.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	20%	0.204	C	C	.	.			trans	71.4	-162.5	-178	0	0	0	0	0	112.4	A283 E285 Q317 K318 K351	A283-G287 WeakPolarHBondContact CB-O 3.45Å; A283-G287 PolarHBondContact O-N 3.31Å; E285-G287 VanDerWaalsContact C-N 3.29Å; E285-G287 PolarHBondContact O-N 2.9Å; G287-Q317 WeakPolarHBondContact O-CA 3.49Å; G287-Q317 WeakPolarHBondContact O-CB 3.4Å; G287-K318 PolarHBondContact O-N 3.2Å; G287-K351 VanDerWaalsContact CA-O 3.26Å; G287-K351 WeakPolarHBondContact CA-O 3.34Å
288	F	98.6	Very high	91	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	157.3	-173.6	76.6	-83	0	0	0	114.4	V280 A283 K318 I320 L346 H349 K351 I352 K353	V280-F288 HydrophobicContact CB-CD1 3.98Å; V280-F288 HydrophobicContact CB-CE1 4.05Å; V280-F288 HydrophobicContact CG1-CD1 3.92Å; V280-F288 HydrophobicContact CG1-CD2 4.25Å; V280-F288 HydrophobicContact CG1-CE1 3.88Å; V280-F288 HydrophobicContact CG1-CE2 4.2Å; V280-F288 HydrophobicContact CG1-CG 4.1Å; V280-F288 HydrophobicContact CG1-CZ 4.01Å; A283-F288 HydrophobicContact CB-CB 4.39Å; F288-K318 CarbonylContact C-O 3.57Å; F288-K318 WeakPolarHBondContact CA-O 3.46Å; F288-K318 HydrophobicContact CB-CB 4.11Å; F288-K318 VanDerWaalsContact CB-O 3.26Å; F288-K318 WeakPolarHBondContact CB-O 3.29Å; F288-I320 HydrophobicContact CD2-CD1 4.34Å; F288-I320 HydrophobicContact CE2-CD1 4.41Å; F288-L346 HydrophobicContact CE2-CB 4.37Å; F288-L346 HydrophobicContact CE2-CD2 4.1Å; F288-L346 HydrophobicContact CZ-CB 4.44Å; F288-L346 HydrophobicContact CZ-CD2 4.1Å; F288-L346 WeakPolarHBondContact CZ-O 3.42Å; F288-H349 HydrophobicContact CE1-CB 4.05Å; F288-H349 AromaticContact CE1-ND1 3.69Å; F288-H349 HydrophobicContact CZ-CB 4.04Å; F288-K351 HydrophobicContact CD1-CB 3.94Å; F288-K351 WeakPolarHBondContact CD1-O 3.28Å; F288-K351 HydrophobicContact CE1-CB 4.12Å; F288-K351 PolarHBondContact N-O 3.31Å; F288-I352 HydrophobicContact CD2-CD1 3.89Å; F288-I352 HydrophobicContact CE1-CB 4.07Å; F288-I352 HydrophobicContact CE1-CD1 4.41Å; F288-I352 HydrophobicContact CE2-CD1 3.41Å; F288-I352 VanDerWaalsContact CE2-CD1 3.41Å; F288-I352 HydrophobicContact CZ-CB 3.94Å; F288-I352 HydrophobicContact CZ-CD1 3.72Å; F288-I352 HydrophobicContact CZ-CG1 4.39Å; F288-K353 PolarHBondContact O-N 3.16Å
289	V	98.6	Very high	90.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.4	172.6	176.3	0	0	0	0	109.2	V291 L315 Q317 K318 V319 I320 A354 L413 I417	V289-V291 HydrophobicContact CG1-CG2 4.26Å; V289-L315 HydrophobicContact CG2-CD1 4.15Å; V289-Q317 HydrophobicContact CG2-CB 4.07Å; V289-Q317 HydrophobicContact CG2-CG 4.22Å; V289-K318 PolarHBondContact N-O 2.91Å; V289-V319 HydrophobicContact CB-CG2 4.39Å; V289-V319 WeakPolarHBondContact O-CA 3.27Å; V289-I320 PolarHBondContact O-N 3.47Å; V289-A354 WeakPolarHBondContact CA-O 3.31Å; V289-L413 HydrophobicContact CG1-CD2 4.34Å; V289-I417 HydrophobicContact CG2-CD1 3.75Å
290	L	98.6	Very high	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.8	173.9	-172.1	64.1	0	0	0	109.5	I320 L341 Q343 L346 L347 I352 A354 F355 L356	L290-I320 CarbonylContact C-O 3.55Å; L290-I320 HydrophobicContact CD1-CB 4.18Å; L290-I320 HydrophobicContact CD1-CG2 4.22Å; L290-L341 HydrophobicContact CD1-CD1 3.65Å; L290-L341 HydrophobicContact CD1-CD2 3.63Å; L290-L341 HydrophobicContact CD1-CG 4.13Å; L290-L341 HydrophobicContact CD2-CD2 4.16Å; L290-L341 HydrophobicContact CG-CD2 4.08Å; L290-Q343 HydrophobicContact CD2-CG 4.1Å; L290-L346 HydrophobicContact CD1-CB 4.22Å; L290-L346 HydrophobicContact CD1-CD1 3.82Å; L290-L346 HydrophobicContact CD2-CB 4.17Å; L290-L347 HydrophobicContact CD2-CD2 3.79Å; L290-L347 HydrophobicContact CD2-CG 3.75Å; L290-I352 HydrophobicContact CB-CD1 3.85Å; L290-A354 PolarHBondContact N-O 2.71Å; L290-A354 VanDerWaalsContact N-O 3.11Å; L290-F355 HydrophobicContact CB-CD2 3.81Å; L290-F355 HydrophobicContact CB-CE2 4.46Å; L290-F355 HydrophobicContact CD2-CD2 3.9Å; L290-F355 HydrophobicContact CD2-CE2 4.03Å; L290-F355 HydrophobicContact CG-CD2 3.81Å; L290-F355 HydrophobicContact CG-CE2 3.99Å; L290-F355 WeakPolarHBondContact O-CA 3.44Å; L290-F355 WeakPolarHBondContact O-CD2 3.4Å; L290-L356 PolarHBondContact O-N 2.81Å
291	V	98.3	Very high	90.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.2	177.7	-171.4	0	0	0	0	109.8	V289 F293 L312 V319 I320 W321 R322 L356	V289-V291 HydrophobicContact CG1-CG2 4.26Å; V291-F293 HydrophobicContact CG1-CE2 3.91Å; V291-L312 HydrophobicContact CG2-CD1 3.96Å; V291-L312 HydrophobicContact CG2-CD2 3.89Å; V291-V319 HydrophobicContact CG2-CG1 3.67Å; V291-I320 PolarHBondContact N-O 3.17Å; V291-W321 HydrophobicContact CB-CB 3.88Å; V291-W321 HydrophobicContact CB-CG 3.78Å; V291-W321 HydrophobicContact CG1-CB 4.48Å; V291-W321 VanDerWaalsContact CG1-CD1 3.41Å; V291-W321 HydrophobicContact CG1-CD2 4.31Å; V291-W321 HydrophobicContact CG1-CG 3.85Å; V291-W321 HydrophobicContact CG2-CB 4.32Å; V291-W321 HydrophobicContact CG2-CG 4.49Å; V291-W321 WeakPolarHBondContact O-CA 3.45Å; V291-R322 PolarHBondContact O-N 2.92Å; V291-L356 WeakPolarHBondContact CA-O 3.34Å; V291-L356 HydrophobicContact CB-CB 4.32Å; V291-L356 HydrophobicContact CG1-CB 4.06Å; V291-L356 HydrophobicContact CG1-CD2 3.84Å; V291-L356 HydrophobicContact CG1-CG 3.99Å; V291-L356 HydrophobicContact CG2-CB 4.02Å; V291-L356 HydrophobicContact CG2-CD2 4.2Å
292	S	96.4	Very high	90.4	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	127.9	177.5	179.8	0	0	0	0	111.8	G294 Q343 L356 S357 H358	S292-G294 VanDerWaalsContact C-N 3.35Å; S292-G294 PolarHBondContact OG-N 3.41Å; S292-Q343 PolarHBondContact OG-OE1 2.71Å; S292-L356 PolarHBondContact N-O 3.45Å; S292-S357 WeakPolarHBondContact O-CA 3.42Å; S292-H358 PolarHBondContact O-N 2.91Å
293	F	93.9	Very high	90.5	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.022	21%	0.205	C	C	.	.			trans	-97.2	17.8	174.9	-66.7	-94.4	0	0	0	112.9	V291 V297 L300 L308 H358 I377 L379	V291-F293 HydrophobicContact CG1-CE2 3.91Å; F293-V297 HydrophobicContact CB-CB 4.05Å; F293-V297 HydrophobicContact CB-CG1 4.06Å; F293-V297 VanDerWaalsContact O-CB 3.27Å; F293-V297 WeakPolarHBondContact O-CB 3.26Å; F293-V297 VanDerWaalsContact O-CG2 3.27Å; F293-V297 WeakPolarHBondContact O-CG2 3.44Å; F293-L300 HydrophobicContact CD1-CD2 4.39Å; F293-L300 HydrophobicContact CD2-CD1 3.89Å; F293-L300 HydrophobicContact CD2-CD2 4.49Å; F293-L300 HydrophobicContact CE2-CD1 4.02Å; F293-L300 HydrophobicContact CG-CD1 4.46Å; F293-L300 HydrophobicContact CG-CD2 4.26Å; F293-L308 HydrophobicContact CE2-CD1 3.67Å; F293-L308 HydrophobicContact CE2-CD2 4.26Å; F293-L308 HydrophobicContact CZ-CD1 3.68Å; F293-L308 HydrophobicContact CZ-CD2 3.89Å; F293-L308 HydrophobicContact CZ-CG 4.47Å; F293-H358 VanDerWaalsContact C-CG 3.41Å; F293-H358 VanDerWaalsContact C-ND1 3.33Å; F293-H358 HydrophobicContact CB-CB 4.08Å; F293-H358 HydrophobicContact CD1-CB 3.73Å; F293-H358 HydrophobicContact CG-CB 4.32Å; F293-H358 PolarHBondContact O-CD2 3.02Å; F293-H358 PolarHBondContact O-NE2 2.9Å; F293-I377 HydrophobicContact CE1-CB 4.05Å; F293-I377 HydrophobicContact CE1-CG2 4.4Å; F293-I377 HydrophobicContact CZ-CD1 4.39Å; F293-L379 HydrophobicContact CD1-CD1 4Å
294	G	86.6	Confident	90.9	Very high	6 Å²	6	39.2 Å²	39.2	6%	0.062	20%	0.204	C	C	.	.			trans	82.6	162.9	174.1	0	0	0	0	0	114.5	S292 G296 V297 R322 H358	S292-G294 VanDerWaalsContact C-N 3.35Å; S292-G294 PolarHBondContact OG-N 3.41Å; G294-G296 VanDerWaalsContact C-N 3.28Å; G294-G296 PolarHBondContact O-N 3.26Å; G294-V297 PolarHBondContact O-N 2.94Å; G294-R322 PolarHBondContact O-NH1 3.03Å; G294-H358 VanDerWaalsContact CA-CE1 3.42Å; G294-H358 WeakPolarHBondContact CA-CE1 3.49Å; G294-H358 PolarHBondContact N-CE1 3.21Å
295	A	77.2	Confident	91.3	Very high	43 Å²	43	34.4 Å²	34.4	36%	0.355	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.9	-172.1	0	0	0	0	0	113.3
296	G	75.2	Confident	91.6	Very high	21 Å²	21	28.8 Å²	28.8	22%	0.216	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.8	-178.4	0	0	0	0	0	115.4	Q87 G294	Q87-G296 PolarHBondContact NE2-O 3.03Å; G294-G296 VanDerWaalsContact C-N 3.28Å; G294-G296 PolarHBondContact O-N 3.26Å
297	V	81.5	Confident	91.6	Very high	11 Å²	11	27.3 Å²	27.3	7%	0.067	15%	0.145	C	C	.	.			trans	-111.5	96.4	178.3	-173.4	0	0	0	0	108.9	M90 F293 G294 Y299 L300 L379 F380	M90-V297 HydrophobicContact SD-CG2 4.35Å; F293-V297 HydrophobicContact CB-CB 4.05Å; F293-V297 HydrophobicContact CB-CG1 4.06Å; F293-V297 VanDerWaalsContact O-CB 3.27Å; F293-V297 WeakPolarHBondContact O-CB 3.26Å; F293-V297 VanDerWaalsContact O-CG2 3.27Å; F293-V297 WeakPolarHBondContact O-CG2 3.44Å; G294-V297 PolarHBondContact O-N 2.94Å; V297-Y299 WeakPolarHBondContact CG1-O 3.32Å; V297-L300 HydrophobicContact CG1-CD2 3.96Å; V297-L379 HydrophobicContact CG1-CD1 3.81Å; V297-L379 HydrophobicContact CG2-CD1 4.05Å; V297-F380 HydrophobicContact CG2-CE1 3.81Å; V297-F380 HydrophobicContact CG2-CZ 4.44Å
298	K	84.9	Confident	91.6	Very high	84 Å²	84	27.3 Å²	27.3	37%	0.365	15%	0.145	S	C	.	.			trans	-96.8	-35.7	172	-59.6	-178.7	-176.2	176.9	0	110.9	D83 Q87	D83-K298 VanDerWaalsContact OD1-CE 3.26Å; D83-K298 WeakPolarHBondContact OD1-CE 3.34Å; D83-K298 IonicContact OD1-NZ 3.66Å; D83-K298 PolarHBondContact OD1-NZ 3.35Å; D83-K298 WeakPolarHBondContact OD2-CD 3.5Å; D83-K298 WeakPolarHBondContact OD2-CE 3.36Å; D83-K298 IonicContact OD2-NZ 3.31Å; D83-K298 PolarHBondContact OD2-NZ 3.1Å; Q87-K298 HydrophobicContact CG-CB 4.4Å
299	Y	86.3	Confident	91.6	Very high	77 Å²	77	27.3 Å²	27.3	30%	0.302	15%	0.145	S	C	.	.			trans	-87.1	125.8	176.9	-178.5	-94.9	0	0	0	111.5	M90 R91 F94 V297	M90-Y299 HydrophobicContact CB-CD1 4.47Å; R91-Y299 HydrophobicContact CB-CD1 4.45Å; R91-Y299 HydrophobicContact CB-CE1 4.28Å; R91-Y299 HydrophobicContact CG-CD1 3.59Å; R91-Y299 HydrophobicContact CG-CD2 4.1Å; R91-Y299 HydrophobicContact CG-CE1 3.6Å; R91-Y299 HydrophobicContact CG-CE2 4.1Å; R91-Y299 HydrophobicContact CG-CG 3.85Å; F94-Y299 HydrophobicContact CB-CE1 4.39Å; F94-Y299 AromaticContact CD2-CD1 3.85Å; F94-Y299 HydrophobicContact CD2-CD1 3.85Å; F94-Y299 AromaticContact CD2-CE1 3.85Å; F94-Y299 HydrophobicContact CD2-CE1 3.85Å; F94-Y299 HydrophobicContact CE2-CD1 4.32Å; F94-Y299 HydrophobicContact CG-CE1 4.46Å; V297-Y299 WeakPolarHBondContact CG1-O 3.32Å
300	L	90.8	Very high	91.5	Very high	13 Å²	13	27.8 Å²	27.8	7%	0.068	15%	0.15	C	C	.	.			trans	-118.6	146.3	159.5	-63.9	174.4	0	0	0	107.4	F94 F293 V297 A305 L308 W321 F323 L379	F94-L300 HydrophobicContact CE2-CD2 4.32Å; F94-L300 HydrophobicContact CZ-CD2 3.89Å; F293-L300 HydrophobicContact CD1-CD2 4.39Å; F293-L300 HydrophobicContact CD2-CD1 3.89Å; F293-L300 HydrophobicContact CD2-CD2 4.49Å; F293-L300 HydrophobicContact CE2-CD1 4.02Å; F293-L300 HydrophobicContact CG-CD1 4.46Å; F293-L300 HydrophobicContact CG-CD2 4.26Å; V297-L300 HydrophobicContact CG1-CD2 3.96Å; L300-A305 HydrophobicContact CB-CB 4.49Å; L300-L308 HydrophobicContact CD1-CD1 3.91Å; L300-W321 HydrophobicContact CD1-CZ2 4.07Å; L300-F323 HydrophobicContact CB-CE2 4.18Å; L300-F323 HydrophobicContact CD1-CD2 4.13Å; L300-F323 HydrophobicContact CD1-CE2 4.01Å; L300-F323 HydrophobicContact CG-CE2 4.31Å; L300-L379 HydrophobicContact CD2-CD1 4.38Å
301	S	91.4	Very high	91.5	Very high	18 Å²	18	27.8 Å²	27.8	13%	0.126	15%	0.15	C	C	.	.			trans	-63.3	152.9	172.3	66.9	0	0	0	0	110.8	D303 I304 A305	S301-D303 PolarHBondContact O-N 2.87Å; S301-I304 PolarHBondContact O-N 2.97Å; S301-I304 VanDerWaalsContact OG-CG1 3.28Å; S301-I304 WeakPolarHBondContact OG-CG1 3.45Å; S301-I304 PolarHBondContact OG-N 3.17Å; S301-A305 WeakPolarHBondContact O-CB 3.27Å; S301-A305 PolarHBondContact O-N 3.28Å
302	E	93.1	Very high	91.5	Very high	115 Å²	115	27.8 Å²	27.8	54%	0.537	15%	0.15	S	C	.	.	H	α-helix	trans	-58.2	-39	179	-178.2	177.4	173.3	0	0	111.6	A305 N306 K329	E302-A305 PolarHBondContact O-N 3.09Å; E302-N306 VanDerWaalsContact CG-ND2 3.3Å; E302-N306 WeakPolarHBondContact CG-ND2 3.47Å; E302-N306 VanDerWaalsContact O-CB 3.3Å; E302-N306 WeakPolarHBondContact O-CB 3.45Å; E302-N306 VanDerWaalsContact O-CG 3.26Å; E302-N306 PolarHBondContact O-N 3.03Å; E302-N306 PolarHBondContact O-ND2 3.49Å; E302-K329 WeakPolarHBondContact OE1-CE 3.15Å; E302-K329 IonicContact OE1-NZ 3.2Å; E302-K329 PolarHBondContact OE1-NZ 3.49Å
303	D	92.8	Very high	91.6	Very high	88 Å²	88	29.2 Å²	29.2	47%	0.471	17%	0.165	S	C	.	.	H	α-helix	trans	-58	-52.2	175.7	175.6	67.6	0	0	0	112.1	S301 N306 K307	S301-D303 PolarHBondContact O-N 2.87Å; D303-N306 PolarHBondContact O-N 2.86Å; D303-K307 WeakPolarHBondContact O-CB 3.32Å; D303-K307 WeakPolarHBondContact O-CG 3.32Å; D303-K307 PolarHBondContact O-N 3.28Å; D303-K307 WeakPolarHBondContact OD1-CE 3.4Å; D303-K307 IonicContact OD1-NZ 2.81Å; D303-K307 PolarHBondContact OD1-NZ 2.99Å; D303-K307 VanDerWaalsContact OD2-CE 3.31Å; D303-K307 WeakPolarHBondContact OD2-CE 3.47Å; D303-K307 IonicContact OD2-NZ 3.63Å; D303-K307 PolarHBondContact OD2-NZ 2.8Å
304	I	94.1	Very high	91.7	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-43	-179.9	-64.5	-64.7	0	0	0	110.9	F94 S301 N306 K307 L308 W401	F94-I304 HydrophobicContact CD1-CG1 4.43Å; F94-I304 HydrophobicContact CE1-CG1 4.12Å; S301-I304 PolarHBondContact O-N 2.97Å; S301-I304 VanDerWaalsContact OG-CG1 3.28Å; S301-I304 WeakPolarHBondContact OG-CG1 3.45Å; S301-I304 PolarHBondContact OG-N 3.17Å; I304-N306 VanDerWaalsContact C-N 3.35Å; I304-N306 PolarHBondContact O-N 2.79Å; I304-K307 PolarHBondContact O-N 3.22Å; I304-L308 HydrophobicContact CG2-CD1 3.75Å; I304-L308 HydrophobicContact CG2-CG 4.35Å; I304-L308 WeakPolarHBondContact O-CB 3.32Å; I304-L308 WeakPolarHBondContact O-CD1 3.47Å; I304-L308 WeakPolarHBondContact O-CG 3.49Å; I304-L308 PolarHBondContact O-N 3.36Å; I304-W401 HydrophobicContact CD1-CE3 4.23Å; I304-W401 VanDerWaalsContact CD1-O 3.29Å; I304-W401 WeakPolarHBondContact CD1-O 3.48Å; I304-W401 HydrophobicContact CG1-CE3 4.42Å
305	A	95.7	Very high	92.3	Very high	5 Å²	5	34.2 Å²	34.2	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-40.6	178.3	0	0	0	0	0	112.2	L300 S301 E302 A309 W321 F323 P328	L300-A305 HydrophobicContact CB-CB 4.49Å; S301-A305 WeakPolarHBondContact O-CB 3.27Å; S301-A305 PolarHBondContact O-N 3.28Å; E302-A305 PolarHBondContact O-N 3.09Å; A305-A309 WeakPolarHBondContact O-CB 3.48Å; A305-A309 PolarHBondContact O-N 3.49Å; A305-W321 HydrophobicContact CB-CH2 4.46Å; A305-W321 WeakPolarHBondContact O-CH2 3.36Å; A305-F323 HydrophobicContact CB-CZ 4.17Å; A305-P328 HydrophobicContact CB-CG 4.23Å
306	N	96.4	Very high	93.2	Very high	28 Å²	28	35.8 Å²	35.8	15%	0.15	19%	0.189	C	C	.	.	H	α-helix	trans	-71.3	-40.4	177.6	-73.9	-31.9	0	0	0	112.5	E302 D303 I304 L308 A309 G310 K329	E302-N306 VanDerWaalsContact CG-ND2 3.3Å; E302-N306 WeakPolarHBondContact CG-ND2 3.47Å; E302-N306 VanDerWaalsContact O-CB 3.3Å; E302-N306 WeakPolarHBondContact O-CB 3.45Å; E302-N306 VanDerWaalsContact O-CG 3.26Å; E302-N306 PolarHBondContact O-N 3.03Å; E302-N306 PolarHBondContact O-ND2 3.49Å; D303-N306 PolarHBondContact O-N 2.86Å; I304-N306 VanDerWaalsContact C-N 3.35Å; I304-N306 PolarHBondContact O-N 2.79Å; N306-L308 VanDerWaalsContact C-N 3.34Å; N306-A309 PolarHBondContact O-N 3.34Å; N306-G310 PolarHBondContact O-N 3.33Å; N306-K329 PolarHBondContact OD1-N 2.98Å
307	K	96.3	Very high	94.3	Very high	50 Å²	50	35.3 Å²	35.3	22%	0.217	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-43.1	172.9	-74.6	169	177.2	169.3	0	111.8	D303 I304 A311 V404	D303-K307 WeakPolarHBondContact O-CB 3.32Å; D303-K307 WeakPolarHBondContact O-CG 3.32Å; D303-K307 PolarHBondContact O-N 3.28Å; D303-K307 WeakPolarHBondContact OD1-CE 3.4Å; D303-K307 IonicContact OD1-NZ 2.81Å; D303-K307 PolarHBondContact OD1-NZ 2.99Å; D303-K307 VanDerWaalsContact OD2-CE 3.31Å; D303-K307 WeakPolarHBondContact OD2-CE 3.47Å; D303-K307 IonicContact OD2-NZ 3.63Å; D303-K307 PolarHBondContact OD2-NZ 2.8Å; I304-K307 PolarHBondContact O-N 3.22Å; K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 3.01Å; K307-A311 VanDerWaalsContact O-N 3.08Å; K307-V404 PolarHBondContact NZ-O 2.74Å
308	L	97.4	Very high	95.1	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-51.9	173.8	-73.7	162.9	0	0	0	110.5	F293 L300 I304 N306 G310 A311 L312 W321 L356 I377 L409	F293-L308 HydrophobicContact CE2-CD1 3.67Å; F293-L308 HydrophobicContact CE2-CD2 4.26Å; F293-L308 HydrophobicContact CZ-CD1 3.68Å; F293-L308 HydrophobicContact CZ-CD2 3.89Å; F293-L308 HydrophobicContact CZ-CG 4.47Å; L300-L308 HydrophobicContact CD1-CD1 3.91Å; I304-L308 HydrophobicContact CG2-CD1 3.75Å; I304-L308 HydrophobicContact CG2-CG 4.35Å; I304-L308 WeakPolarHBondContact O-CB 3.32Å; I304-L308 WeakPolarHBondContact O-CD1 3.47Å; I304-L308 WeakPolarHBondContact O-CG 3.49Å; I304-L308 PolarHBondContact O-N 3.36Å; N306-L308 VanDerWaalsContact C-N 3.34Å; L308-G310 PolarHBondContact O-N 2.85Å; L308-A311 PolarHBondContact O-N 3.26Å; L308-L312 HydrophobicContact CB-CD1 4.42Å; L308-L312 VanDerWaalsContact O-CB 3.28Å; L308-L312 WeakPolarHBondContact O-CB 3.41Å; L308-L312 WeakPolarHBondContact O-CD1 3.21Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 2.82Å; L308-W321 HydrophobicContact CB-CH2 3.63Å; L308-W321 HydrophobicContact CB-CZ2 4.05Å; L308-W321 HydrophobicContact CB-CZ3 4.16Å; L308-W321 HydrophobicContact CD1-CH2 4.14Å; L308-W321 HydrophobicContact CD1-CZ2 3.75Å; L308-L356 HydrophobicContact CD2-CD2 3.53Å; L308-L356 HydrophobicContact CD2-CG 4.48Å; L308-I377 HydrophobicContact CD2-CD1 4.07Å; L308-L409 HydrophobicContact CD2-CD2 3.62Å; L308-L409 HydrophobicContact CG-CD2 4.25Å
309	A	97.8	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-45.1	-178.4	0	0	0	0	0	113	A305 N306 G313 W321 P328 N330 L331	A305-A309 WeakPolarHBondContact O-CB 3.48Å; A305-A309 PolarHBondContact O-N 3.49Å; N306-A309 PolarHBondContact O-N 3.34Å; A309-G313 PolarHBondContact O-N 3.28Å; A309-W321 HydrophobicContact CB-CZ3 4.12Å; A309-P328 HydrophobicContact CB-CB 3.46Å; A309-P328 VanDerWaalsContact CB-CB 3.46Å; A309-P328 HydrophobicContact CB-CG 4.07Å; A309-N330 CarbonylContact C-O 3.53Å; A309-N330 HydrophobicContact CB-CB 4.46Å; A309-L331 HydrophobicContact CB-CD1 4.31Å
310	G	97.6	Very high	96.3	Very high	9 Å²	9	30 Å²	30	9%	0.093	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-45.6	178	0	0	0	0	0	112.6	N306 L308 G313 R314	N306-G310 PolarHBondContact O-N 3.33Å; L308-G310 PolarHBondContact O-N 2.85Å; G310-G313 PolarHBondContact O-N 3.49Å; G310-R314 WeakPolarHBondContact O-CG 3.44Å; G310-R314 PolarHBondContact O-N 2.8Å
311	A	98.1	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-44.4	178.2	0	0	0	0	0	112	K307 L308 R314 E406 L409	K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 3.01Å; K307-A311 VanDerWaalsContact O-N 3.08Å; L308-A311 PolarHBondContact O-N 3.26Å; A311-R314 PolarHBondContact O-N 3.39Å; A311-E406 HydrophobicContact CB-CG 3.87Å; A311-E406 WeakPolarHBondContact CB-O 3.26Å; A311-E406 VanDerWaalsContact N-CG 3.34Å; A311-L409 HydrophobicContact CB-CB 3.99Å; A311-L409 HydrophobicContact CB-CD2 3.57Å; A311-L409 HydrophobicContact CB-CG 3.72Å
312	L	98.4	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-38.1	178.5	-67.6	167.6	0	0	0	111.4	V291 L308 R314 L315 V319 W321 N334 L356 L413	V291-L312 HydrophobicContact CG2-CD1 3.96Å; V291-L312 HydrophobicContact CG2-CD2 3.89Å; L308-L312 HydrophobicContact CB-CD1 4.42Å; L308-L312 VanDerWaalsContact O-CB 3.28Å; L308-L312 WeakPolarHBondContact O-CB 3.41Å; L308-L312 WeakPolarHBondContact O-CD1 3.21Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 2.82Å; L312-R314 PolarHBondContact O-N 3.48Å; L312-L315 HydrophobicContact CD2-CD1 4.11Å; L312-L315 WeakPolarHBondContact O-CB 3.2Å; L312-L315 PolarHBondContact O-N 3.12Å; L312-L315 VanDerWaalsContact O-N 3.1Å; L312-V319 HydrophobicContact CB-CG2 4.33Å; L312-V319 HydrophobicContact CD1-CG1 4.17Å; L312-V319 HydrophobicContact CD2-CG1 4Å; L312-V319 HydrophobicContact CD2-CG2 4.19Å; L312-V319 HydrophobicContact CG-CG1 4.46Å; L312-W321 HydrophobicContact CD1-CD2 4.32Å; L312-W321 HydrophobicContact CD1-CE3 3.85Å; L312-W321 HydrophobicContact CD1-CZ3 4.21Å; L312-N334 PolarHBondContact O-ND2 3.13Å; L312-L356 HydrophobicContact CD2-CD2 4.34Å; L312-L413 HydrophobicContact CD2-CD1 4.01Å
313	G	97.7	Very high	96.8	Very high	32 Å²	32	26 Å²	26	33%	0.33	14%	0.136	S	C	.	.	H	α-helix	trans	-62.3	-22.2	178.5	0	0	0	0	0	114.4	A309 G310 N334	A309-G313 PolarHBondContact O-N 3.28Å; G310-G313 PolarHBondContact O-N 3.49Å; G313-N334 WeakPolarHBondContact CA-OD1 3.42Å
314	R	97.5	Very high	96.5	Very high	109 Å²	109	24.5 Å²	24.5	41%	0.411	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.2	177.9	-66.5	165	59.3	-178.4	-1.8	113.7	G310 A311 L312 E406 Y410	G310-R314 WeakPolarHBondContact O-CG 3.44Å; G310-R314 PolarHBondContact O-N 2.8Å; A311-R314 PolarHBondContact O-N 3.39Å; L312-R314 PolarHBondContact O-N 3.48Å; R314-E406 IonicContact NH1-OE1 2.66Å; R314-Y410 HydrophobicContact CB-CD2 3.6Å; R314-Y410 HydrophobicContact CB-CE2 3.56Å
315	L	97.8	Very high	96.2	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	15%	0.146	C	C	.	.			trans	-78.8	140.1	-179.2	-66.2	176.6	0	0	0	111.2	V289 L312 Q317 N334 Y410 L413 V414	V289-L315 HydrophobicContact CG2-CD1 4.15Å; L312-L315 HydrophobicContact CD2-CD1 4.11Å; L312-L315 WeakPolarHBondContact O-CB 3.2Å; L312-L315 PolarHBondContact O-N 3.12Å; L312-L315 VanDerWaalsContact O-N 3.1Å; L315-Q317 HydrophobicContact CB-CB 4.46Å; L315-Q317 PolarHBondContact O-N 3.21Å; L315-N334 PolarHBondContact O-ND2 3.35Å; L315-N334 VanDerWaalsContact O-ND2 3.1Å; L315-Y410 HydrophobicContact CD2-CD2 4.02Å; L315-Y410 HydrophobicContact CD2-CE2 3.97Å; L315-L413 HydrophobicContact CD1-CB 4.46Å; L315-L413 HydrophobicContact CD1-CD1 4.14Å; L315-L413 HydrophobicContact CD2-CB 4.34Å; L315-V414 HydrophobicContact CD2-CG2 4Å
316	P	96.4	Very high	96	Very high	76 Å²	76	31 Å²	31	49%	0.494	18%	0.18	S	C	.	.	S	Bend	trans	-70.5	-18.3	169.2	29.8	-35.1	0	0	0	112.5	H286	H286-P316 HydrophobicContact CB-CB 4.49Å
317	Q	98.1	Very high	95.8	Very high	12 Å²	12	37 Å²	37	6%	0.056	21%	0.205	C	C	.	.	S	Bend	trans	-67.8	149.7	176	-71.1	75.1	22.2	0	0	111.8	H286 G287 V289 L315 N334 K353 I417	H286-Q317 HydrophobicContact CB-CG 4.45Å; H286-Q317 WeakPolarHBondContact O-CG 3.24Å; G287-Q317 WeakPolarHBondContact O-CA 3.49Å; G287-Q317 WeakPolarHBondContact O-CB 3.4Å; V289-Q317 HydrophobicContact CG2-CB 4.07Å; V289-Q317 HydrophobicContact CG2-CG 4.22Å; L315-Q317 HydrophobicContact CB-CB 4.46Å; L315-Q317 PolarHBondContact O-N 3.21Å; Q317-N334 PolarHBondContact O-ND2 3.31Å; Q317-K353 HydrophobicContact CG-CG 4.36Å; Q317-I417 HydrophobicContact CG-CD1 4.47Å
318	K	98.1	Very high	95.8	Very high	60 Å²	60	35 Å²	35	26%	0.261	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	150.5	159.5	-67.9	-69.5	-176.1	175.5	0	109.4	W279 A283 G287 F288 V289 N334	W279-K318 HydrophobicContact CH2-CD 4.2Å; W279-K318 HydrophobicContact CZ2-CD 3.81Å; A283-K318 HydrophobicContact CB-CB 3.8Å; A283-K318 HydrophobicContact CB-CG 3.56Å; G287-K318 PolarHBondContact O-N 3.2Å; F288-K318 CarbonylContact C-O 3.57Å; F288-K318 WeakPolarHBondContact CA-O 3.46Å; F288-K318 HydrophobicContact CB-CB 4.11Å; F288-K318 VanDerWaalsContact CB-O 3.26Å; F288-K318 WeakPolarHBondContact CB-O 3.29Å; V289-K318 PolarHBondContact N-O 2.91Å; K318-N334 CarbonylContact C-O 3.59Å; K318-N334 WeakPolarHBondContact CA-O 3.27Å
319	V	98.3	Very high	95.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.2	179.7	-177.4	0	0	0	0	109	W279 V289 V291 L312 W321 N334 T335 K336	W279-V319 PolarHBondContact NE1-O 3.36Å; V289-V319 HydrophobicContact CB-CG2 4.39Å; V289-V319 WeakPolarHBondContact O-CA 3.27Å; V291-V319 HydrophobicContact CG2-CG1 3.67Å; L312-V319 HydrophobicContact CB-CG2 4.33Å; L312-V319 HydrophobicContact CD1-CG1 4.17Å; L312-V319 HydrophobicContact CD2-CG1 4Å; L312-V319 HydrophobicContact CD2-CG2 4.19Å; L312-V319 HydrophobicContact CG-CG1 4.46Å; V319-W321 HydrophobicContact CG1-CB 4.42Å; V319-N334 PolarHBondContact N-O 3.22Å; V319-T335 HydrophobicContact CB-CG2 3.97Å; V319-T335 HydrophobicContact CG1-CG2 3.87Å; V319-K336 PolarHBondContact O-N 3.27Å
320	I	98.1	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.3	166.2	-63.5	170.9	0	0	0	106.6	L276 V280 F288 V289 L290 V291 I338 L341 L346	L276-I320 HydrophobicContact CD2-CD1 4.35Å; V280-I320 HydrophobicContact CG1-CD1 3.59Å; F288-I320 HydrophobicContact CD2-CD1 4.34Å; F288-I320 HydrophobicContact CE2-CD1 4.41Å; V289-I320 PolarHBondContact O-N 3.47Å; L290-I320 CarbonylContact C-O 3.55Å; L290-I320 HydrophobicContact CD1-CB 4.18Å; L290-I320 HydrophobicContact CD1-CG2 4.22Å; V291-I320 PolarHBondContact N-O 3.17Å; I320-I338 HydrophobicContact CG2-CD1 3.66Å; I320-I338 HydrophobicContact CG2-CG1 4.1Å; I320-L341 HydrophobicContact CG2-CD1 3.56Å; I320-L346 HydrophobicContact CD1-CD1 4.22Å; I320-L346 HydrophobicContact CD1-CD2 3.73Å; I320-L346 HydrophobicContact CG2-CD1 4.43Å
321	W	97.6	Very high	95.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.4	-177.7	-179.2	10	0	0	0	110.8	V291 L300 A305 L308 A309 L312 V319 F323 P328 L331 T335 K336 L337 I338	V291-W321 HydrophobicContact CB-CB 3.88Å; V291-W321 HydrophobicContact CB-CG 3.78Å; V291-W321 HydrophobicContact CG1-CB 4.48Å; V291-W321 VanDerWaalsContact CG1-CD1 3.41Å; V291-W321 HydrophobicContact CG1-CD2 4.31Å; V291-W321 HydrophobicContact CG1-CG 3.85Å; V291-W321 HydrophobicContact CG2-CB 4.32Å; V291-W321 HydrophobicContact CG2-CG 4.49Å; V291-W321 WeakPolarHBondContact O-CA 3.45Å; L300-W321 HydrophobicContact CD1-CZ2 4.07Å; A305-W321 HydrophobicContact CB-CH2 4.46Å; A305-W321 WeakPolarHBondContact O-CH2 3.36Å; L308-W321 HydrophobicContact CB-CH2 3.63Å; L308-W321 HydrophobicContact CB-CZ2 4.05Å; L308-W321 HydrophobicContact CB-CZ3 4.16Å; L308-W321 HydrophobicContact CD1-CH2 4.14Å; L308-W321 HydrophobicContact CD1-CZ2 3.75Å; A309-W321 HydrophobicContact CB-CZ3 4.12Å; L312-W321 HydrophobicContact CD1-CD2 4.32Å; L312-W321 HydrophobicContact CD1-CE3 3.85Å; L312-W321 HydrophobicContact CD1-CZ3 4.21Å; V319-W321 HydrophobicContact CG1-CB 4.42Å; W321-F323 HydrophobicContact CD2-CB 4.32Å; W321-F323 HydrophobicContact CG-CB 4.32Å; W321-F323 HydrophobicContact CZ2-CD2 4.08Å; W321-F323 HydrophobicContact CZ2-CE2 4.49Å; W321-F323 HydrophobicContact CZ2-CG 4.24Å; W321-F323 PolarHBondContact O-N 3.17Å; W321-P328 HydrophobicContact CH2-CG 3.9Å; W321-P328 HydrophobicContact CZ3-CG 3.92Å; W321-L331 HydrophobicContact CE3-CD1 4.28Å; W321-L331 HydrophobicContact CZ3-CD1 4.25Å; W321-T335 HydrophobicContact CB-CG2 4.2Å; W321-T335 HydrophobicContact CE3-CG2 4.24Å; W321-K336 PolarHBondContact N-O 3.15Å; W321-L337 HydrophobicContact CB-CD2 4.01Å; W321-L337 HydrophobicContact CD2-CD2 3.86Å; W321-L337 HydrophobicContact CE3-CD2 3.57Å; W321-L337 HydrophobicContact CG-CD2 4.08Å; W321-L337 HydrophobicContact CZ3-CD2 4.3Å; W321-L337 WeakPolarHBondContact O-CA 3.27Å; W321-I338 PolarHBondContact O-N 3.05Å
322	R	95.6	Very high	95.1	Very high	44 Å²	44	49 Å²	49	17%	0.166	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	112.7	169.3	-177.6	173.9	167.6	-101.5	-6.5	110.4	V291 G294 I338 E339 L341	V291-R322 PolarHBondContact O-N 2.92Å; G294-R322 PolarHBondContact O-NH1 3.03Å; R322-I338 CarbonylContact C-O 3.57Å; R322-I338 WeakPolarHBondContact CA-O 3.4Å; R322-E339 WeakPolarHBondContact CG-O 3.28Å; R322-E339 PolarHBondContact NE-O 3.44Å; R322-L341 HydrophobicContact CB-CB 4.35Å; R322-L341 HydrophobicContact CB-CD2 4.45Å
323	F	93.6	Very high	94.9	Very high	18 Å²	18	56.6 Å²	56.6	8%	0.079	31%	0.307	C	S	.	.			trans	-156.1	132.4	-176.8	-174.4	-117.9	0	0	0	111.4	L300 A305 W321 G325 P326 P328 L337 I338	L300-F323 HydrophobicContact CB-CE2 4.18Å; L300-F323 HydrophobicContact CD1-CD2 4.13Å; L300-F323 HydrophobicContact CD1-CE2 4.01Å; L300-F323 HydrophobicContact CG-CE2 4.31Å; A305-F323 HydrophobicContact CB-CZ 4.17Å; W321-F323 HydrophobicContact CD2-CB 4.32Å; W321-F323 HydrophobicContact CG-CB 4.32Å; W321-F323 HydrophobicContact CZ2-CD2 4.08Å; W321-F323 HydrophobicContact CZ2-CE2 4.49Å; W321-F323 HydrophobicContact CZ2-CG 4.24Å; W321-F323 PolarHBondContact O-N 3.17Å; F323-G325 WeakPolarHBondContact CE1-O 3.42Å; F323-G325 VanDerWaalsContact CZ-CA 3.47Å; F323-P326 VanDerWaalsContact CE1-O 3.28Å; F323-P326 WeakPolarHBondContact CE1-O 3.29Å; F323-P328 HydrophobicContact CE1-CG 4.2Å; F323-L337 HydrophobicContact CB-CD2 4.22Å; F323-L337 HydrophobicContact CD1-CD1 4.25Å; F323-L337 HydrophobicContact CD1-CD2 4.44Å; F323-I338 PolarHBondContact N-O 2.87Å
324	S	86.8	Confident	94.8	Very high	57 Å²	57	56.1 Å²	56.1	40%	0.399	30%	0.297	S	S	.	.			trans	-115.1	12.8	-178.6	-55.6	0	0	0	0	112.9
325	G	86.9	Confident	94.8	Very high	31 Å²	31	51.5 Å²	51.5	32%	0.32	28%	0.28	S	S	.	.	S	Bend	trans	-96.3	-179.3	180	0	0	0	0	0	113.5	F323 K327	F323-G325 WeakPolarHBondContact CE1-O 3.42Å; F323-G325 VanDerWaalsContact CZ-CA 3.47Å; G325-K327 PolarHBondContact O-N 2.96Å
326	P	91.1	Very high	94.8	Very high	117 Å²	117	53.7 Å²	53.7	76%	0.76	29%	0.29	S	S	*	.	S	Bend	trans	-61.7	134.7	175.4	27.2	-34.1	0	0	0	110.5	F323	F323-P326 VanDerWaalsContact CE1-O 3.28Å; F323-P326 WeakPolarHBondContact CE1-O 3.29Å
327	K	93.6	Very high	94.7	Very high	154 Å²	154	52.5 Å²	52.5	67%	0.67	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-48.9	122.9	-179.3	-176.3	-178.9	176.8	-177.8	0	110.5	G325 L331 L337	G325-K327 PolarHBondContact O-N 2.96Å; K327-L331 HydrophobicContact CD-CD2 4.37Å; K327-L331 HydrophobicContact CG-CD2 4.11Å; K327-L337 HydrophobicContact CG-CD1 4.2Å
328	P	95	Very high	94.5	Very high	8 Å²	8	53 Å²	53	5%	0.052	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-60.9	147.9	178.6	-23.9	34.6	0	0	0	112	A305 A309 W321 F323 N330 L331	A305-P328 HydrophobicContact CB-CG 4.23Å; A309-P328 HydrophobicContact CB-CB 3.46Å; A309-P328 VanDerWaalsContact CB-CB 3.46Å; A309-P328 HydrophobicContact CB-CG 4.07Å; W321-P328 HydrophobicContact CH2-CG 3.9Å; W321-P328 HydrophobicContact CZ3-CG 3.92Å; F323-P328 HydrophobicContact CE1-CG 4.2Å; P328-N330 VanDerWaalsContact C-N 3.32Å; P328-N330 PolarHBondContact O-N 3.33Å; P328-L331 PolarHBondContact O-N 2.79Å
329	K	92.3	Very high	94.1	Very high	161 Å²	161	57 Å²	57	70%	0.7	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.9	-176.5	-70.5	171.5	176.1	157.4	0	112.3	E302 N306 L331	E302-K329 WeakPolarHBondContact OE1-CE 3.15Å; E302-K329 IonicContact OE1-NZ 3.2Å; E302-K329 PolarHBondContact OE1-NZ 3.49Å; N306-K329 PolarHBondContact OD1-N 2.98Å; K329-L331 PolarHBondContact O-N 3.11Å
330	N	91.1	Very high	93.6	Very high	92 Å²	92	65.4 Å²	65.4	49%	0.492	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	29.6	-174.8	-60.4	-9.1	0	0	0	112.8	A309 P328 G332	A309-N330 CarbonylContact C-O 3.53Å; A309-N330 HydrophobicContact CB-CB 4.46Å; P328-N330 VanDerWaalsContact C-N 3.32Å; P328-N330 PolarHBondContact O-N 3.33Å; N330-G332 PolarHBondContact O-N 3.04Å
331	L	96.6	Very high	93.2	Very high	32 Å²	32	66 Å²	66	17%	0.168	34%	0.337	C	S	.	.			trans	-71.8	114.3	-177.3	-167.4	79.7	0	0	0	111.5	A309 W321 K327 P328 K329 T335 L337	A309-L331 HydrophobicContact CB-CD1 4.31Å; W321-L331 HydrophobicContact CE3-CD1 4.28Å; W321-L331 HydrophobicContact CZ3-CD1 4.25Å; K327-L331 HydrophobicContact CD-CD2 4.37Å; K327-L331 HydrophobicContact CG-CD2 4.11Å; P328-L331 PolarHBondContact O-N 2.79Å; K329-L331 PolarHBondContact O-N 3.11Å; L331-T335 HydrophobicContact CD1-CG2 3.71Å; L331-L337 HydrophobicContact CD1-CD1 4.39Å; L331-L337 HydrophobicContact CD1-CD2 3.91Å; L331-L337 HydrophobicContact CD1-CG 4.21Å; L331-L337 HydrophobicContact CD2-CD1 3.86Å; L331-L337 HydrophobicContact CD2-CG 3.91Å
332	G	95.5	Very high	93.1	Very high	19 Å²	19	66.5 Å²	66.5	20%	0.196	34%	0.339	C	S	.	.			trans	-72	153.1	175.8	0	0	0	0	0	114.2	N330 N334 T335	N330-G332 PolarHBondContact O-N 3.04Å; G332-N334 PolarHBondContact O-N 3.37Å; G332-N334 VanDerWaalsContact O-N 3.13Å; G332-T335 PolarHBondContact O-N 3.47Å
333	N	95.1	Very high	93.1	Very high	160 Å²	160	65.6 Å²	65.6	86%	0.856	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.8	179.1	-68.2	-14	0	0	0	114
334	N	96.7	Very high	93.2	Very high	22 Å²	22	65 Å²	65	12%	0.118	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.8	174.2	71.2	-37.1	0	0	0	113	W279 L312 G313 L315 Q317 K318 V319 G332	W279-N334 WeakPolarHBondContact CZ2-O 3.16Å; L312-N334 PolarHBondContact O-ND2 3.13Å; G313-N334 WeakPolarHBondContact CA-OD1 3.42Å; L315-N334 PolarHBondContact O-ND2 3.35Å; L315-N334 VanDerWaalsContact O-ND2 3.1Å; Q317-N334 PolarHBondContact O-ND2 3.31Å; K318-N334 CarbonylContact C-O 3.59Å; K318-N334 WeakPolarHBondContact CA-O 3.27Å; V319-N334 PolarHBondContact N-O 3.22Å; G332-N334 PolarHBondContact O-N 3.37Å; G332-N334 VanDerWaalsContact O-N 3.13Å
335	T	97.5	Very high	93.7	Very high	11 Å²	11	63.3 Å²	63.3	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.3	-172.9	-56.3	0	0	0	0	112.5	V319 W321 L331 G332 L337	V319-T335 HydrophobicContact CB-CG2 3.97Å; V319-T335 HydrophobicContact CG1-CG2 3.87Å; W321-T335 HydrophobicContact CB-CG2 4.2Å; W321-T335 HydrophobicContact CE3-CG2 4.24Å; L331-T335 HydrophobicContact CD1-CG2 3.71Å; G332-T335 PolarHBondContact O-N 3.47Å; T335-L337 HydrophobicContact CG2-CD2 4.36Å
336	K	96	Very high	94.3	Very high	53 Å²	53	61.9 Å²	61.9	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.6	172.2	-174.2	174.2	176.4	-178.6	0	109.4	D275 W279 V319 W321 I338	D275-K336 IonicContact OD2-NZ 3.42Å; D275-K336 PolarHBondContact OD2-NZ 3.4Å; W279-K336 HydrophobicContact CD2-CB 4.13Å; W279-K336 HydrophobicContact CD2-CD 4.04Å; W279-K336 HydrophobicContact CE3-CD 4.3Å; W279-K336 HydrophobicContact CG-CD 4.16Å; W279-K336 HydrophobicContact CH2-CB 4.16Å; W279-K336 HydrophobicContact CZ2-CB 3.63Å; V319-K336 PolarHBondContact O-N 3.27Å; W321-K336 PolarHBondContact N-O 3.15Å; K336-I338 HydrophobicContact CD-CG2 4.38Å; K336-I338 HydrophobicContact CG-CG2 4.03Å
337	L	95.8	Very high	94.6	Very high	52 Å²	52	56.3 Å²	56.3	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.6	171.4	-58.7	-178.5	0	0	0	109.5	W321 F323 K327 L331 T335	W321-L337 HydrophobicContact CB-CD2 4.01Å; W321-L337 HydrophobicContact CD2-CD2 3.86Å; W321-L337 HydrophobicContact CE3-CD2 3.57Å; W321-L337 HydrophobicContact CG-CD2 4.08Å; W321-L337 HydrophobicContact CZ3-CD2 4.3Å; W321-L337 WeakPolarHBondContact O-CA 3.27Å; F323-L337 HydrophobicContact CB-CD2 4.22Å; F323-L337 HydrophobicContact CD1-CD1 4.25Å; F323-L337 HydrophobicContact CD1-CD2 4.44Å; K327-L337 HydrophobicContact CG-CD1 4.2Å; L331-L337 HydrophobicContact CD1-CD1 4.39Å; L331-L337 HydrophobicContact CD1-CD2 3.91Å; L331-L337 HydrophobicContact CD1-CG 4.21Å; L331-L337 HydrophobicContact CD2-CD1 3.86Å; L331-L337 HydrophobicContact CD2-CG 3.91Å; T335-L337 HydrophobicContact CG2-CD2 4.36Å
338	I	94.2	Very high	94.8	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.6	175.7	67.4	171.1	0	0	0	110.8	L276 I320 W321 R322 F323 K336 W340 L341	L276-I338 HydrophobicContact CD2-CD1 4.36Å; I320-I338 HydrophobicContact CG2-CD1 3.66Å; I320-I338 HydrophobicContact CG2-CG1 4.1Å; W321-I338 PolarHBondContact O-N 3.05Å; R322-I338 CarbonylContact C-O 3.57Å; R322-I338 WeakPolarHBondContact CA-O 3.4Å; F323-I338 PolarHBondContact N-O 2.87Å; K336-I338 HydrophobicContact CD-CG2 4.38Å; K336-I338 HydrophobicContact CG-CG2 4.03Å; I338-W340 WeakPolarHBondContact CD1-O 3.41Å; I338-L341 HydrophobicContact CD1-CB 4.21Å; I338-L341 HydrophobicContact CD1-CD1 3.35Å; I338-L341 HydrophobicContact CD1-CG 4.43Å; I338-L341 HydrophobicContact CG1-CD1 4.25Å
339	E	89.6	Confident	94.9	Very high	142 Å²	142	51.4 Å²	51.4	66%	0.664	26%	0.257	S	S	*	.	S	Bend	trans	-89.6	-34.6	179.8	-63.5	-168.9	158.9	0	0	113.3	R322	R322-E339 WeakPolarHBondContact CG-O 3.28Å; R322-E339 PolarHBondContact NE-O 3.44Å
340	W	87.5	Confident	95.1	Very high	178 Å²	178	49 Å²	49	67%	0.674	26%	0.26	S	S	*	.			trans	-126.1	140.8	-179.1	-169.9	91.7	0	0	0	111.3	I338 P342	I338-W340 WeakPolarHBondContact CD1-O 3.41Å; W340-P342 HydrophobicContact CH2-CB 4.04Å; W340-P342 HydrophobicContact CZ3-CB 3.83Å; W340-P342 HydrophobicContact CZ3-CG 4.16Å
341	L	89.3	Confident	95.4	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.068	25%	0.249	C	C	.	.			trans	-131.9	123.1	-168	-171.5	77.2	0	0	0	110.5	L290 I320 R322 I338 Q343 L346	L290-L341 HydrophobicContact CD1-CD1 3.65Å; L290-L341 HydrophobicContact CD1-CD2 3.63Å; L290-L341 HydrophobicContact CD1-CG 4.13Å; L290-L341 HydrophobicContact CD2-CD2 4.16Å; L290-L341 HydrophobicContact CG-CD2 4.08Å; I320-L341 HydrophobicContact CG2-CD1 3.56Å; R322-L341 HydrophobicContact CB-CB 4.35Å; R322-L341 HydrophobicContact CB-CD2 4.45Å; I338-L341 HydrophobicContact CD1-CB 4.21Å; I338-L341 HydrophobicContact CD1-CD1 3.35Å; I338-L341 HydrophobicContact CD1-CG 4.43Å; I338-L341 HydrophobicContact CG1-CD1 4.25Å; L341-Q343 HydrophobicContact CD2-CB 3.84Å; L341-Q343 HydrophobicContact CD2-CG 3.97Å; L341-Q343 HydrophobicContact CG-CB 4.24Å; L341-Q343 PolarHBondContact O-N 2.84Å; L341-L346 HydrophobicContact CD1-CD1 3.2Å; L341-L346 HydrophobicContact CG-CD1 3.8Å
342	P	94.4	Very high	95.5	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.058	24%	0.242	C	C	.	.			trans	-73.5	71.3	164.2	31.4	-32.3	0	0	0	109.1	L272 L276 W340 N344 D345 L346	L272-P342 HydrophobicContact CD2-CG 4.09Å; L276-P342 HydrophobicContact CD1-CG 3.62Å; W340-P342 HydrophobicContact CH2-CB 4.04Å; W340-P342 HydrophobicContact CZ3-CB 3.83Å; W340-P342 HydrophobicContact CZ3-CG 4.16Å; P342-N344 PolarHBondContact O-N 3.06Å; P342-D345 HydrophobicContact CB-CB 4.26Å; P342-D345 PolarHBondContact O-N 3.04Å; P342-D345 VanDerWaalsContact O-N 3.16Å; P342-L346 HydrophobicContact CG-CD1 4.21Å; P342-L346 HydrophobicContact CG-CG 4.37Å; P342-L346 PolarHBondContact O-N 3.15Å
343	Q	96.3	Very high	95.6	Very high	25 Å²	25	48.9 Å²	48.9	12%	0.117	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-51.6	-166.5	-172.4	-179.8	-93.2	0	0	112.2	L290 S292 L341 D345 L346 L347 S363 E366	L290-Q343 HydrophobicContact CD2-CG 4.1Å; S292-Q343 PolarHBondContact OG-OE1 2.71Å; L341-Q343 HydrophobicContact CD2-CB 3.84Å; L341-Q343 HydrophobicContact CD2-CG 3.97Å; L341-Q343 HydrophobicContact CG-CB 4.24Å; L341-Q343 PolarHBondContact O-N 2.84Å; Q343-D345 VanDerWaalsContact C-N 3.26Å; Q343-D345 PolarHBondContact O-N 2.86Å; Q343-L346 PolarHBondContact O-N 2.79Å; Q343-L347 HydrophobicContact CG-CD1 3.9Å; Q343-L347 HydrophobicContact CG-CG 4.44Å; Q343-L347 WeakPolarHBondContact O-CB 3.28Å; Q343-L347 VanDerWaalsContact O-CG 3.26Å; Q343-L347 WeakPolarHBondContact O-CG 3.34Å; Q343-L347 PolarHBondContact O-N 3.5Å; Q343-S363 PolarHBondContact NE2-OG 3.3Å; Q343-S363 PolarHBondContact OE1-OG 2.92Å; Q343-E366 PolarHBondContact NE2-OE2 2.9Å
344	N	96.8	Very high	95.8	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-54.2	-43.3	177.4	176.8	81.9	0	0	0	112.2	K267 P268 P342 L347 G348 E366 H370	K267-N344 VanDerWaalsContact CG-ND2 3.34Å; K267-N344 WeakPolarHBondContact CG-ND2 3.27Å; K267-N344 PolarHBondContact N-OD1 2.87Å; K267-N344 PolarHBondContact O-ND2 3.39Å; K267-N344 PolarHBondContact O-OD1 3.44Å; P268-N344 PolarHBondContact O-ND2 3.5Å; P342-N344 PolarHBondContact O-N 3.06Å; N344-L347 PolarHBondContact O-N 2.9Å; N344-G348 PolarHBondContact O-N 3.29Å; N344-E366 HydrophobicContact CB-CG 4.48Å; N344-H370 PolarHBondContact O-CD2 3.44Å; N344-H370 PolarHBondContact O-NE2 3.16Å; N344-H370 VanDerWaalsContact O-NE2 3.09Å; N344-H370 PolarHBondContact OD1-NE2 3.34Å
345	D	97.5	Very high	95.9	Very high	21 Å²	21	40.2 Å²	40.2	11%	0.112	20%	0.203	C	C	.	.	H	α-helix	trans	-73.8	-38.2	-174	-52.2	-43.4	0	0	0	111.4	A269 S270 L272 P342 Q343 G348 H349	A269-D345 WeakPolarHBondContact CA-OD1 3.37Å; A269-D345 HydrophobicContact CB-CB 4.43Å; S270-D345 PolarHBondContact N-OD1 2.81Å; L272-D345 HydrophobicContact CD2-CB 3.7Å; P342-D345 HydrophobicContact CB-CB 4.26Å; P342-D345 PolarHBondContact O-N 3.04Å; P342-D345 VanDerWaalsContact O-N 3.16Å; Q343-D345 VanDerWaalsContact C-N 3.26Å; Q343-D345 PolarHBondContact O-N 2.86Å; D345-G348 PolarHBondContact O-N 3.23Å; D345-H349 PolarHBondContact O-N 3.33Å
346	L	97.9	Very high	95.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-39.1	172	-74.3	166.8	0	0	0	112	L272 V280 F288 L290 I320 L341 P342 Q343 G348 H349	L272-L346 HydrophobicContact CD1-CD2 3.67Å; L272-L346 HydrophobicContact CD2-CD2 3.85Å; L272-L346 HydrophobicContact CD2-CG 3.83Å; L272-L346 HydrophobicContact CG-CD2 4.44Å; V280-L346 HydrophobicContact CG1-CD2 4Å; F288-L346 HydrophobicContact CE2-CB 4.37Å; F288-L346 HydrophobicContact CE2-CD2 4.1Å; F288-L346 HydrophobicContact CZ-CB 4.44Å; F288-L346 HydrophobicContact CZ-CD2 4.1Å; F288-L346 WeakPolarHBondContact CZ-O 3.42Å; L290-L346 HydrophobicContact CD1-CB 4.22Å; L290-L346 HydrophobicContact CD1-CD1 3.82Å; L290-L346 HydrophobicContact CD2-CB 4.17Å; I320-L346 HydrophobicContact CD1-CD1 4.22Å; I320-L346 HydrophobicContact CD1-CD2 3.73Å; I320-L346 HydrophobicContact CG2-CD1 4.43Å; L341-L346 HydrophobicContact CD1-CD1 3.2Å; L341-L346 HydrophobicContact CG-CD1 3.8Å; P342-L346 HydrophobicContact CG-CD1 4.21Å; P342-L346 HydrophobicContact CG-CG 4.37Å; P342-L346 PolarHBondContact O-N 3.15Å; Q343-L346 PolarHBondContact O-N 2.79Å; L346-G348 VanDerWaalsContact C-N 3.27Å; L346-G348 PolarHBondContact O-N 3.21Å; L346-H349 WeakPolarHBondContact O-CB 3.36Å; L346-H349 PolarHBondContact O-N 3.34Å
347	L	98.4	Very high	96	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-32.7	174.9	-73.3	169.2	0	0	0	112.1	L290 Q343 N344 H349 F355 E366 T367 H370 V372	L290-L347 HydrophobicContact CD2-CD2 3.79Å; L290-L347 HydrophobicContact CD2-CG 3.75Å; Q343-L347 HydrophobicContact CG-CD1 3.9Å; Q343-L347 HydrophobicContact CG-CG 4.44Å; Q343-L347 WeakPolarHBondContact O-CB 3.28Å; Q343-L347 VanDerWaalsContact O-CG 3.26Å; Q343-L347 WeakPolarHBondContact O-CG 3.34Å; Q343-L347 PolarHBondContact O-N 3.5Å; N344-L347 PolarHBondContact O-N 2.9Å; L347-H349 VanDerWaalsContact C-N 3.33Å; L347-F355 HydrophobicContact CD2-CB 3.94Å; L347-F355 HydrophobicContact CD2-CD1 4.3Å; L347-F355 HydrophobicContact CD2-CD2 4.5Å; L347-F355 HydrophobicContact CD2-CG 4.02Å; L347-E366 HydrophobicContact CD1-CB 3.75Å; L347-T367 WeakPolarHBondContact CD1-OG1 3.17Å; L347-T367 HydrophobicContact CD2-CG2 4.21Å; L347-H370 HydrophobicContact CB-CB 4.22Å; L347-H370 VanDerWaalsContact O-CB 3.27Å; L347-H370 WeakPolarHBondContact O-CB 3.47Å; L347-V372 HydrophobicContact CD2-CB 4.33Å; L347-V372 HydrophobicContact CD2-CG1 4.21Å; L347-V372 HydrophobicContact CD2-CG2 4.37Å; L347-V372 VanDerWaalsContact O-CG2 3.32Å; L347-V372 WeakPolarHBondContact O-CG2 3.3Å
348	G	97.6	Very high	96	Very high	31 Å²	31	35.3 Å²	35.3	32%	0.32	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.7	175.7	0	0	0	0	0	115.2	N344 D345 L346 H370	N344-G348 PolarHBondContact O-N 3.29Å; D345-G348 PolarHBondContact O-N 3.23Å; L346-G348 VanDerWaalsContact C-N 3.27Å; L346-G348 PolarHBondContact O-N 3.21Å; G348-H370 VanDerWaalsContact CA-ND1 3.26Å; G348-H370 WeakPolarHBondContact CA-ND1 3.44Å
349	H	97.5	Very high	96.1	Very high	28 Å²	28	34.2 Å²	34.2	13%	0.13	17%	0.173	C	C	.	.	S	Bend	trans	-74.8	136.5	179.5	-168.9	-83.5	0	0	0	111.6	Q277 F288 D345 L346 L347 K351 I352	Q277-H349 PolarHBondContact NE2-NE2 3.24Å; Q277-H349 VanDerWaalsContact NE2-NE2 3.12Å; F288-H349 HydrophobicContact CE1-CB 4.05Å; F288-H349 AromaticContact CE1-ND1 3.69Å; F288-H349 HydrophobicContact CZ-CB 4.04Å; D345-H349 PolarHBondContact O-N 3.33Å; L346-H349 WeakPolarHBondContact O-CB 3.36Å; L346-H349 PolarHBondContact O-N 3.34Å; L347-H349 VanDerWaalsContact C-N 3.33Å; H349-K351 PolarHBondContact ND1-N 3.04Å; H349-K351 PolarHBondContact O-N 3.28Å; H349-I352 WeakPolarHBondContact O-CB 3.38Å; H349-I352 WeakPolarHBondContact O-CG2 3.2Å; H349-I352 PolarHBondContact O-N 3.21Å
350	S	95.5	Very high	96.3	Very high	109 Å²	109	27.8 Å²	27.8	76%	0.762	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.1	-173.9	60.2	0	0	0	0	115.2
351	K	97.1	Very high	96.6	Very high	59 Å²	59	19.6 Å²	19.6	26%	0.257	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.2	178.9	-66.2	-166	176.1	-159.5	0	115.6	V280 N281 N284 G287 F288 H349	V280-K351 WeakPolarHBondContact O-CD 3.46Å; N281-K351 PolarHBondContact O-NZ 3.08Å; N284-K351 PolarHBondContact O-NZ 3.28Å; N284-K351 VanDerWaalsContact O-NZ 3.09Å; G287-K351 VanDerWaalsContact CA-O 3.26Å; G287-K351 WeakPolarHBondContact CA-O 3.34Å; F288-K351 HydrophobicContact CD1-CB 3.94Å; F288-K351 WeakPolarHBondContact CD1-O 3.28Å; F288-K351 HydrophobicContact CE1-CB 4.12Å; F288-K351 PolarHBondContact N-O 3.31Å; H349-K351 PolarHBondContact ND1-N 3.04Å; H349-K351 PolarHBondContact O-N 3.28Å
352	I	98.4	Very high	96.8	Very high	5 Å²	5	20 Å²	20	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	137	176.9	-171.2	65.7	0	0	0	110.3	F288 L290 H349 V372	F288-I352 HydrophobicContact CD2-CD1 3.89Å; F288-I352 HydrophobicContact CE1-CB 4.07Å; F288-I352 HydrophobicContact CE1-CD1 4.41Å; F288-I352 HydrophobicContact CE2-CD1 3.41Å; F288-I352 VanDerWaalsContact CE2-CD1 3.41Å; F288-I352 HydrophobicContact CZ-CB 3.94Å; F288-I352 HydrophobicContact CZ-CD1 3.72Å; F288-I352 HydrophobicContact CZ-CG1 4.39Å; L290-I352 HydrophobicContact CB-CD1 3.85Å; H349-I352 WeakPolarHBondContact O-CB 3.38Å; H349-I352 WeakPolarHBondContact O-CG2 3.2Å; H349-I352 PolarHBondContact O-N 3.21Å; I352-V372 HydrophobicContact CG1-CG1 3.79Å; I352-V372 HydrophobicContact CG1-CG2 4.06Å; I352-V372 HydrophobicContact CG2-CG2 3.61Å
353	K	98.4	Very high	96.9	Very high	77 Å²	77	20.1 Å²	20.1	34%	0.335	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-43.2	177.1	-61.9	-58.1	-173.9	177.8	0	113.2	H286 F288 Q317 I417	H286-K353 WeakPolarHBondContact O-CE 3.43Å; H286-K353 VanDerWaalsContact O-CG 3.28Å; H286-K353 WeakPolarHBondContact O-CG 3.49Å; F288-K353 PolarHBondContact O-N 3.16Å; Q317-K353 HydrophobicContact CG-CG 4.36Å; K353-I417 HydrophobicContact CB-CG1 4.1Å; K353-I417 HydrophobicContact CB-CG2 4.2Å
354	A	98.7	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	159.6	-179.7	0	0	0	0	0	110.8	V289 L290 P373 V416 I417	V289-A354 WeakPolarHBondContact CA-O 3.31Å; L290-A354 PolarHBondContact N-O 2.71Å; L290-A354 VanDerWaalsContact N-O 3.11Å; A354-P373 WeakPolarHBondContact CA-O 3.16Å; A354-V416 HydrophobicContact CB-CG1 4.2Å; A354-I417 HydrophobicContact CB-CD1 4.44Å; A354-I417 HydrophobicContact CB-CG1 3.84Å
355	F	98.8	Very high	97	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.5	171.3	179.8	-140.3	0	0	0	110.6	L290 L347 S357 T367 V372 P373 V374 V375	L290-F355 HydrophobicContact CB-CD2 3.81Å; L290-F355 HydrophobicContact CB-CE2 4.46Å; L290-F355 HydrophobicContact CD2-CD2 3.9Å; L290-F355 HydrophobicContact CD2-CE2 4.03Å; L290-F355 HydrophobicContact CG-CD2 3.81Å; L290-F355 HydrophobicContact CG-CE2 3.99Å; L290-F355 WeakPolarHBondContact O-CA 3.44Å; L290-F355 WeakPolarHBondContact O-CD2 3.4Å; L347-F355 HydrophobicContact CD2-CB 3.94Å; L347-F355 HydrophobicContact CD2-CD1 4.3Å; L347-F355 HydrophobicContact CD2-CD2 4.5Å; L347-F355 HydrophobicContact CD2-CG 4.02Å; F355-S357 VanDerWaalsContact CE1-OG 3.25Å; F355-S357 WeakPolarHBondContact CE1-OG 3.33Å; F355-S357 WeakPolarHBondContact CZ-OG 3.41Å; F355-T367 HydrophobicContact CB-CG2 4.11Å; F355-T367 HydrophobicContact CD1-CG2 3.96Å; F355-T367 WeakPolarHBondContact CD1-OG1 3.42Å; F355-T367 WeakPolarHBondContact CE1-OG1 3.35Å; F355-V372 HydrophobicContact CB-CG1 4.21Å; F355-P373 PolarHBondContact N-O 2.89Å; F355-V374 HydrophobicContact CB-CG2 4.49Å; F355-V374 HydrophobicContact CD1-CG2 4.46Å; F355-V374 CarbonylContact O-C 3.51Å; F355-V374 WeakPolarHBondContact O-CA 3.46Å; F355-V375 PolarHBondContact O-N 3.36Å
356	L	98.7	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.6	169.2	-179.5	56.2	0	0	0	109	L290 V291 S292 L308 L312 V375 I377 L409 L413	L290-L356 PolarHBondContact O-N 2.81Å; V291-L356 WeakPolarHBondContact CA-O 3.34Å; V291-L356 HydrophobicContact CB-CB 4.32Å; V291-L356 HydrophobicContact CG1-CB 4.06Å; V291-L356 HydrophobicContact CG1-CD2 3.84Å; V291-L356 HydrophobicContact CG1-CG 3.99Å; V291-L356 HydrophobicContact CG2-CB 4.02Å; V291-L356 HydrophobicContact CG2-CD2 4.2Å; S292-L356 PolarHBondContact N-O 3.45Å; L308-L356 HydrophobicContact CD2-CD2 3.53Å; L308-L356 HydrophobicContact CD2-CG 4.48Å; L312-L356 HydrophobicContact CD2-CD2 4.34Å; L356-V375 VanDerWaalsContact CA-O 3.32Å; L356-V375 WeakPolarHBondContact CA-O 3.5Å; L356-V375 HydrophobicContact CD1-CB 3.96Å; L356-V375 HydrophobicContact CD1-CG1 3.81Å; L356-V375 WeakPolarHBondContact CD1-O 3.22Å; L356-I377 HydrophobicContact CD1-CD1 3.94Å; L356-I377 HydrophobicContact CD1-CG1 4.13Å; L356-L409 HydrophobicContact CD1-CD1 4.06Å; L356-L409 HydrophobicContact CD2-CD1 4.23Å; L356-L413 HydrophobicContact CB-CD2 4.39Å; L356-L413 HydrophobicContact CD2-CD1 4.43Å
357	S	97.7	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.8	-169.9	-163.3	0	0	0	0	112.9	S292 F355 G359 V375 G376 I377	S292-S357 WeakPolarHBondContact O-CA 3.42Å; F355-S357 VanDerWaalsContact CE1-OG 3.25Å; F355-S357 WeakPolarHBondContact CE1-OG 3.33Å; F355-S357 WeakPolarHBondContact CZ-OG 3.41Å; S357-G359 PolarHBondContact O-N 2.92Å; S357-G359 PolarHBondContact OG-N 3.46Å; S357-G359 VanDerWaalsContact OG-N 3.09Å; S357-V375 PolarHBondContact N-O 3.13Å; S357-G376 CarbonylContact O-C 3.57Å; S357-G376 VanDerWaalsContact O-CA 3.24Å; S357-G376 WeakPolarHBondContact O-CA 3.13Å; S357-I377 PolarHBondContact O-N 2.98Å
358	H	95.6	Very high	97	Very high	13 Å²	13	18.6 Å²	18.6	6%	0.06	11%	0.109	C	C	.	.			trans	-67.1	-10.6	158.7	68.6	-42.7	0	0	0	114.4	S292 F293 G294 G360 I377 P378 L379 H383	S292-H358 PolarHBondContact O-N 2.91Å; F293-H358 VanDerWaalsContact C-CG 3.41Å; F293-H358 VanDerWaalsContact C-ND1 3.33Å; F293-H358 HydrophobicContact CB-CB 4.08Å; F293-H358 HydrophobicContact CD1-CB 3.73Å; F293-H358 HydrophobicContact CG-CB 4.32Å; F293-H358 PolarHBondContact O-CD2 3.02Å; F293-H358 PolarHBondContact O-NE2 2.9Å; G294-H358 VanDerWaalsContact CA-CE1 3.42Å; G294-H358 WeakPolarHBondContact CA-CE1 3.49Å; G294-H358 PolarHBondContact N-CE1 3.21Å; H358-G360 PolarHBondContact CE1-N 3.38Å; H358-I377 WeakPolarHBondContact CA-O 3.35Å; H358-P378 VanDerWaalsContact O-CA 3.28Å; H358-P378 WeakPolarHBondContact O-CA 3.47Å; H358-L379 HydrophobicContact CB-CD1 4.44Å; H358-H383 AromaticContact CD2-CE1 3.24Å; H358-H383 PolarHBondContact CD2-CE1 3.29Å; H358-H383 AromaticContact CD2-ND1 3.62Å; H358-H383 AromaticContact CD2-NE2 3.53Å; H358-H383 AromaticContact NE2-CE1 3.98Å; H358-H383 AromaticContact NE2-NE2 3.85Å; H358-H383 VanDerWaalsContact O-CB 3.27Å; H358-H383 WeakPolarHBondContact O-CB 3.22Å
359	G	95.6	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.			trans	84.2	16.4	-179.7	0	0	0	0	0	115.5	S357 T386	S357-G359 PolarHBondContact O-N 2.92Å; S357-G359 PolarHBondContact OG-N 3.46Å; S357-G359 VanDerWaalsContact OG-N 3.09Å; G359-T386 VanDerWaalsContact O-CB 3.31Å; G359-T386 WeakPolarHBondContact O-CB 3.3Å; G359-T386 WeakPolarHBondContact O-CG2 3.37Å
360	G	94.5	Very high	97.1	Very high	7 Å²	7	18.8 Å²	18.8	7%	0.072	10%	0.1	C	C	.	.			trans	-58.9	136.9	173	0	0	0	0	0	112.4	H358 N362 S363 I364	H358-G360 PolarHBondContact CE1-N 3.38Å; G360-N362 PolarHBondContact O-N 3.31Å; G360-S363 WeakPolarHBondContact O-CB 3.43Å; G360-S363 PolarHBondContact O-N 3.17Å; G360-I364 PolarHBondContact O-N 3.48Å
361	L	93.8	Very high	97.2	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	7%	0.065	C	C	.	.	H	α-helix	trans	-52.6	-49.1	-169	-169.7	62.6	0	0	0	113.4	L162 C243 S363 I364 F365 T386	L162-L361 HydrophobicContact CD1-CD1 4.17Å; C243-L361 WeakPolarHBondContact O-CD2 3.47Å; L361-S363 PolarHBondContact O-N 3.23Å; L361-I364 PolarHBondContact O-N 2.89Å; L361-F365 HydrophobicContact CD1-CD2 4.09Å; L361-F365 HydrophobicContact CD1-CE2 3.59Å; L361-F365 HydrophobicContact CD2-CE2 4.46Å; L361-F365 HydrophobicContact CG-CD2 3.96Å; L361-F365 HydrophobicContact CG-CE2 3.77Å; L361-F365 VanDerWaalsContact O-CD2 3.3Å; L361-F365 WeakPolarHBondContact O-CD2 3.44Å; L361-F365 PolarHBondContact O-N 2.98Å; L361-T386 HydrophobicContact CD1-CG2 4.23Å
362	N	94.2	Very high	97.3	Very high	22 Å²	22	10.8 Å²	10.8	12%	0.118	5%	0.052	C	C	.	.	H	α-helix	trans	-60.4	-45.7	178.1	-70.1	-43.2	0	0	0	112.7	L265 G360 I364 F365 E366	L265-N362 HydrophobicContact CD1-CB 4.12Å; G360-N362 PolarHBondContact O-N 3.31Å; N362-I364 VanDerWaalsContact C-N 3.29Å; N362-I364 PolarHBondContact O-N 3.44Å; N362-F365 PolarHBondContact O-N 3.33Å; N362-E366 PolarHBondContact O-N 3.42Å
363	S	95.8	Very high	97.3	Very high	11 Å²	11	10.7 Å²	10.7	8%	0.077	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-39	178.2	-67.4	0	0	0	0	111.2	Q343 G360 L361 T367	Q343-S363 PolarHBondContact NE2-OG 3.3Å; Q343-S363 PolarHBondContact OE1-OG 2.92Å; G360-S363 WeakPolarHBondContact O-CB 3.43Å; G360-S363 PolarHBondContact O-N 3.17Å; L361-S363 PolarHBondContact O-N 3.23Å; S363-T367 VanDerWaalsContact O-CB 3.27Å; S363-T367 WeakPolarHBondContact O-CB 3.37Å; S363-T367 PolarHBondContact O-N 3.36Å; S363-T367 PolarHBondContact O-OG1 2.71Å
364	I	97.4	Very high	97.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.4	-38.2	176.6	-65.5	-56.5	0	0	0	111.6	L248 G360 L361 N362 T367 M368 V374 T386 M387 V390	L248-I364 HydrophobicContact CD2-CG2 3.97Å; G360-I364 PolarHBondContact O-N 3.48Å; L361-I364 PolarHBondContact O-N 2.89Å; N362-I364 VanDerWaalsContact C-N 3.29Å; N362-I364 PolarHBondContact O-N 3.44Å; I364-T367 PolarHBondContact O-N 2.96Å; I364-M368 WeakPolarHBondContact O-CB 3.48Å; I364-M368 PolarHBondContact O-N 3.29Å; I364-V374 HydrophobicContact CD1-CG1 4Å; I364-V374 HydrophobicContact CD1-CG2 4.1Å; I364-T386 HydrophobicContact CB-CG2 3.9Å; I364-T386 HydrophobicContact CG1-CG2 3.7Å; I364-T386 HydrophobicContact CG2-CG2 3.96Å; I364-M387 HydrophobicContact CD1-SD 4.04Å; I364-V390 HydrophobicContact CD1-CG2 4.27Å; I364-V390 HydrophobicContact CG1-CG2 4.46Å; I364-V390 HydrophobicContact CG2-CG2 3.59Å
365	F	97.2	Very high	97.3	Very high	1 Å²	1	7 Å²	7	0%	0.004	4%	0.036	C	C	.	.	H	α-helix	trans	-63.2	-45.8	173.4	-87.3	-65.4	0	0	0	113	C243 D245 L248 T266 L361 N362 T367 M368 Y369 H433	C243-F365 VanDerWaalsContact O-CE2 3.26Å; C243-F365 WeakPolarHBondContact O-CE2 3.27Å; D245-F365 HydrophobicContact CB-CE1 3.98Å; D245-F365 HydrophobicContact CB-CZ 4.3Å; L248-F365 HydrophobicContact CD2-CZ 4.32Å; T266-F365 HydrophobicContact CG2-CB 3.98Å; L361-F365 HydrophobicContact CD1-CD2 4.09Å; L361-F365 HydrophobicContact CD1-CE2 3.59Å; L361-F365 HydrophobicContact CD2-CE2 4.46Å; L361-F365 HydrophobicContact CG-CD2 3.96Å; L361-F365 HydrophobicContact CG-CE2 3.77Å; L361-F365 VanDerWaalsContact O-CD2 3.3Å; L361-F365 WeakPolarHBondContact O-CD2 3.44Å; L361-F365 PolarHBondContact O-N 2.98Å; N362-F365 PolarHBondContact O-N 3.33Å; F365-T367 PolarHBondContact O-N 3.48Å; F365-M368 HydrophobicContact CD1-CE 3.51Å; F365-M368 HydrophobicContact CE1-CE 3.47Å; F365-M368 VanDerWaalsContact CE1-CE 3.47Å; F365-M368 PolarHBondContact O-N 3.27Å; F365-Y369 VanDerWaalsContact O-CB 3.22Å; F365-Y369 WeakPolarHBondContact O-CB 3.44Å; F365-Y369 PolarHBondContact O-N 3.09Å; F365-H433 AromaticContact CD1-CE1 3.61Å; F365-H433 AromaticContact CE1-CE1 3.95Å
366	E	97.7	Very high	97.3	Very high	22 Å²	22	7 Å²	7	10%	0.103	4%	0.036	C	C	.	.	H	α-helix	trans	-58.7	-41.1	173.9	-70.2	174	-176.7	0	0	111.2	Q343 N344 L347 N362 Y369 H370	Q343-E366 PolarHBondContact NE2-OE2 2.9Å; N344-E366 HydrophobicContact CB-CG 4.48Å; L347-E366 HydrophobicContact CD1-CB 3.75Å; N362-E366 PolarHBondContact O-N 3.42Å; E366-Y369 WeakPolarHBondContact O-CB 3.49Å; E366-Y369 PolarHBondContact O-N 3.27Å; E366-H370 PolarHBondContact O-CD2 3.08Å; E366-H370 PolarHBondContact O-N 2.93Å
367	T	98.2	Very high	97.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.5	-42.4	-178.5	-58.1	0	0	0	0	112.2	L347 F355 S363 I364 F365 H370 G371 V372 V374 M395	L347-T367 WeakPolarHBondContact CD1-OG1 3.17Å; L347-T367 HydrophobicContact CD2-CG2 4.21Å; F355-T367 HydrophobicContact CB-CG2 4.11Å; F355-T367 HydrophobicContact CD1-CG2 3.96Å; F355-T367 WeakPolarHBondContact CD1-OG1 3.42Å; F355-T367 WeakPolarHBondContact CE1-OG1 3.35Å; S363-T367 VanDerWaalsContact O-CB 3.27Å; S363-T367 WeakPolarHBondContact O-CB 3.37Å; S363-T367 PolarHBondContact O-N 3.36Å; S363-T367 PolarHBondContact O-OG1 2.71Å; I364-T367 PolarHBondContact O-N 2.96Å; F365-T367 PolarHBondContact O-N 3.48Å; T367-H370 PolarHBondContact O-N 3.25Å; T367-G371 PolarHBondContact O-N 3.14Å; T367-G371 VanDerWaalsContact O-N 3.09Å; T367-V372 HydrophobicContact CG2-CB 3.77Å; T367-V372 HydrophobicContact CG2-CG1 4.16Å; T367-V372 WeakPolarHBondContact CG2-O 3.37Å; T367-V372 PolarHBondContact O-N 2.95Å; T367-V374 HydrophobicContact CG2-CG2 3.35Å; T367-M395 HydrophobicContact CG2-CE 3.82Å
368	M	98.1	Very high	97	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.3	-42.2	173.8	-176.6	172.7	63.4	0	0	110.8	A247 L248 I364 F365 H370 G371 M395 L429 S430 H433	A247-M368 HydrophobicContact CB-CE 4.15Å; A247-M368 HydrophobicContact CB-SD 3.95Å; L248-M368 HydrophobicContact CB-CE 4.15Å; L248-M368 HydrophobicContact CB-SD 4.19Å; I364-M368 WeakPolarHBondContact O-CB 3.48Å; I364-M368 PolarHBondContact O-N 3.29Å; F365-M368 HydrophobicContact CD1-CE 3.51Å; F365-M368 HydrophobicContact CE1-CE 3.47Å; F365-M368 VanDerWaalsContact CE1-CE 3.47Å; F365-M368 PolarHBondContact O-N 3.27Å; M368-H370 PolarHBondContact O-N 2.89Å; M368-G371 PolarHBondContact O-N 3.42Å; M368-M395 HydrophobicContact CB-CE 3.86Å; M368-M395 HydrophobicContact CB-SD 4.09Å; M368-M395 HydrophobicContact CG-SD 4.22Å; M368-L429 HydrophobicContact CG-CB 3.79Å; M368-L429 HydrophobicContact SD-CB 3.84Å; M368-L429 HydrophobicContact SD-CD1 4.48Å; M368-S430 VanDerWaalsContact O-CA 3.25Å; M368-S430 WeakPolarHBondContact O-CA 3.43Å; M368-S430 WeakPolarHBondContact O-CB 3.48Å; M368-S430 PolarHBondContact O-OG 3.18Å; M368-H433 HydrophobicContact CE-CB 3.95Å
369	Y	98.2	Very high	96.8	Very high	34 Å²	34	6.5 Å²	6.5	13%	0.133	3%	0.034	C	C	.	.	H	α-helix	trans	-56.1	-38.8	175.1	179.1	-85.2	0	0	0	111.5	T266 K267 P268 F365 E366 S430 H433 K434	T266-Y369 HydrophobicContact CG2-CD2 4.26Å; T266-Y369 HydrophobicContact CG2-CG 4.19Å; K267-Y369 WeakPolarHBondContact O-CE1 3.37Å; P268-Y369 WeakPolarHBondContact CD-OH 3.38Å; F365-Y369 VanDerWaalsContact O-CB 3.22Å; F365-Y369 WeakPolarHBondContact O-CB 3.44Å; F365-Y369 PolarHBondContact O-N 3.09Å; E366-Y369 WeakPolarHBondContact O-CB 3.49Å; E366-Y369 PolarHBondContact O-N 3.27Å; Y369-S430 PolarHBondContact O-OG 3.32Å; Y369-H433 AromaticContact CD2-CD2 3.9Å; Y369-K434 HydrophobicContact CD2-CD 4.49Å; Y369-K434 HydrophobicContact CD2-CG 4.01Å; Y369-K434 HydrophobicContact CE2-CD 4.25Å; Y369-K434 VanDerWaalsContact CE2-CE 3.49Å; Y369-K434 HydrophobicContact CE2-CG 3.9Å; Y369-K434 WeakPolarHBondContact O-CE 3.36Å; Y369-K434 PolarHBondContact O-NZ 3.16Å
370	H	98.6	Very high	96.4	Very high	28 Å²	28	7.7 Å²	7.7	13%	0.13	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.2	176.3	-65.3	-64.2	0	0	0	114.6	K267 N344 L347 G348 E366 T367 M368 V372	K267-H370 PolarHBondContact O-CE1 3.26Å; K267-H370 PolarHBondContact O-NE2 3.39Å; N344-H370 PolarHBondContact O-CD2 3.44Å; N344-H370 PolarHBondContact O-NE2 3.16Å; N344-H370 VanDerWaalsContact O-NE2 3.09Å; N344-H370 PolarHBondContact OD1-NE2 3.34Å; L347-H370 HydrophobicContact CB-CB 4.22Å; L347-H370 VanDerWaalsContact O-CB 3.27Å; L347-H370 WeakPolarHBondContact O-CB 3.47Å; G348-H370 VanDerWaalsContact CA-ND1 3.26Å; G348-H370 WeakPolarHBondContact CA-ND1 3.44Å; E366-H370 PolarHBondContact O-CD2 3.08Å; E366-H370 PolarHBondContact O-N 2.93Å; T367-H370 PolarHBondContact O-N 3.25Å; M368-H370 PolarHBondContact O-N 2.89Å; H370-V372 VanDerWaalsContact C-N 3.32Å; H370-V372 HydrophobicContact CB-CG2 4.03Å; H370-V372 PolarHBondContact O-N 3.15Å
371	G	98.4	Very high	96.1	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.01	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	35.3	178.3	0	0	0	0	0	113.4	T367 M368 R423 A426	T367-G371 PolarHBondContact O-N 3.14Å; T367-G371 VanDerWaalsContact O-N 3.09Å; M368-G371 PolarHBondContact O-N 3.42Å; G371-R423 VanDerWaalsContact O-CD 3.3Å; G371-R423 WeakPolarHBondContact O-CD 3.34Å; G371-R423 VanDerWaalsContact O-CZ 3.25Å; G371-R423 PolarHBondContact O-NE 3.1Å; G371-R423 PolarHBondContact O-NH1 2.51Å; G371-A426 VanDerWaalsContact C-CB 3.47Å; G371-A426 WeakPolarHBondContact O-CB 3.31Å
372	V	98.8	Very high	95.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.			trans	-96.3	130.5	-176.7	178	0	0	0	0	110.9	L347 I352 F355 T367 H370 M395	L347-V372 HydrophobicContact CD2-CB 4.33Å; L347-V372 HydrophobicContact CD2-CG1 4.21Å; L347-V372 HydrophobicContact CD2-CG2 4.37Å; L347-V372 VanDerWaalsContact O-CG2 3.32Å; L347-V372 WeakPolarHBondContact O-CG2 3.3Å; I352-V372 HydrophobicContact CG1-CG1 3.79Å; I352-V372 HydrophobicContact CG1-CG2 4.06Å; I352-V372 HydrophobicContact CG2-CG2 3.61Å; F355-V372 HydrophobicContact CB-CG1 4.21Å; T367-V372 HydrophobicContact CG2-CB 3.77Å; T367-V372 HydrophobicContact CG2-CG1 4.16Å; T367-V372 WeakPolarHBondContact CG2-O 3.37Å; T367-V372 PolarHBondContact O-N 2.95Å; H370-V372 VanDerWaalsContact C-N 3.32Å; H370-V372 HydrophobicContact CB-CG2 4.03Å; H370-V372 PolarHBondContact O-N 3.15Å; V372-M395 WeakPolarHBondContact O-CE 3.35Å
373	P	98.6	Very high	95.9	Very high	2 Å²	2	9 Å²	9	1%	0.013	5%	0.048	C	C	.	.			trans	-66.7	152.7	173.6	-26.7	37.9	0	0	0	114.2	A354 F355 M395 V416 R423 A426	A354-P373 WeakPolarHBondContact CA-O 3.16Å; F355-P373 PolarHBondContact N-O 2.89Å; P373-M395 WeakPolarHBondContact CA-O 3.26Å; P373-V416 HydrophobicContact CB-CG1 3.19Å; P373-V416 HydrophobicContact CG-CG1 4.31Å; P373-R423 HydrophobicContact CG-CB 3.94Å; P373-A426 HydrophobicContact CG-CB 4.42Å
374	V	98.6	Very high	95.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.6	-174	178.2	0	0	0	0	112.7	F355 I364 T367 M387 V390 M395 G396 I397	F355-V374 HydrophobicContact CB-CG2 4.49Å; F355-V374 HydrophobicContact CD1-CG2 4.46Å; F355-V374 CarbonylContact O-C 3.51Å; F355-V374 WeakPolarHBondContact O-CA 3.46Å; I364-V374 HydrophobicContact CD1-CG1 4Å; I364-V374 HydrophobicContact CD1-CG2 4.1Å; T367-V374 HydrophobicContact CG2-CG2 3.35Å; V374-M387 HydrophobicContact CG1-CE 3.95Å; V374-M387 HydrophobicContact CG1-SD 3.91Å; V374-V390 HydrophobicContact CB-CG1 4.12Å; V374-M395 HydrophobicContact CG2-CE 4.02Å; V374-M395 PolarHBondContact N-O 2.91Å; V374-M395 VanDerWaalsContact N-O 3.14Å; V374-G396 CarbonylContact O-C 3.55Å; V374-G396 WeakPolarHBondContact O-CA 3.23Å; V374-I397 PolarHBondContact O-N 2.93Å
375	V	98.8	Very high	95.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.9	153.7	178.3	0	0	0	0	107	F355 L356 S357 I397 L399 L409 A412 L413 V416	F355-V375 PolarHBondContact O-N 3.36Å; L356-V375 VanDerWaalsContact CA-O 3.32Å; L356-V375 WeakPolarHBondContact CA-O 3.5Å; L356-V375 HydrophobicContact CD1-CB 3.96Å; L356-V375 HydrophobicContact CD1-CG1 3.81Å; L356-V375 WeakPolarHBondContact CD1-O 3.22Å; S357-V375 PolarHBondContact N-O 3.13Å; V375-I397 CarbonylContact C-O 3.47Å; V375-I397 WeakPolarHBondContact CA-O 3.26Å; V375-L399 HydrophobicContact CG1-CD1 3.73Å; V375-L399 HydrophobicContact CG1-CG 4.26Å; V375-L409 HydrophobicContact CG1-CD1 4.34Å; V375-A412 HydrophobicContact CG1-CB 4.11Å; V375-A412 HydrophobicContact CG2-CB 4.28Å; V375-L413 HydrophobicContact CB-CD2 4.05Å; V375-L413 HydrophobicContact CG2-CD2 3.82Å; V375-L413 HydrophobicContact CG2-CG 4.23Å; V375-V416 HydrophobicContact CG2-CB 4.08Å; V375-V416 HydrophobicContact CG2-CG2 3.76Å
376	G	98	Very high	95.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.8	-175.1	0	0	0	0	0	112.5	S357 I397 L399	S357-G376 CarbonylContact O-C 3.57Å; S357-G376 VanDerWaalsContact O-CA 3.24Å; S357-G376 WeakPolarHBondContact O-CA 3.13Å; G376-I397 PolarHBondContact N-O 3.45Å; G376-L399 PolarHBondContact O-N 3.42Å
377	I	97.3	Very high	95.6	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.01	5%	0.048	C	C	.	.			trans	-123.3	80.7	171.8	-57.4	175.9	0	0	0	107.1	F293 L308 L356 S357 H358 L379 L399 W401 L409	F293-I377 HydrophobicContact CE1-CB 4.05Å; F293-I377 HydrophobicContact CE1-CG2 4.4Å; F293-I377 HydrophobicContact CZ-CD1 4.39Å; L308-I377 HydrophobicContact CD2-CD1 4.07Å; L356-I377 HydrophobicContact CD1-CD1 3.94Å; L356-I377 HydrophobicContact CD1-CG1 4.13Å; S357-I377 PolarHBondContact O-N 2.98Å; H358-I377 WeakPolarHBondContact CA-O 3.35Å; I377-L379 HydrophobicContact CG2-CD2 4.48Å; I377-L399 HydrophobicContact CG1-CB 4.25Å; I377-W401 HydrophobicContact CG2-CB 3.43Å; I377-W401 VanDerWaalsContact CG2-CB 3.43Å; I377-L409 HydrophobicContact CD1-CD1 3.97Å
378	P	94.7	Very high	95.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.			trans	-64.5	146.1	-179.5	29.5	-37	0	0	0	111.8	H358 H383 Y384 L398 L399	H358-P378 VanDerWaalsContact O-CA 3.28Å; H358-P378 WeakPolarHBondContact O-CA 3.47Å; P378-H383 HydrophobicContact CB-CB 3.64Å; P378-Y384 HydrophobicContact CB-CD1 3.7Å; P378-Y384 HydrophobicContact CB-CD2 4.13Å; P378-Y384 HydrophobicContact CB-CE1 3.97Å; P378-Y384 HydrophobicContact CB-CE2 4.37Å; P378-Y384 HydrophobicContact CB-CG 3.78Å; P378-Y384 HydrophobicContact CG-CD1 3.4Å; P378-Y384 HydrophobicContact CG-CE1 3.67Å; P378-Y384 HydrophobicContact CG-CG 3.97Å; P378-Y384 PolarHBondContact O-OH 3.37Å; P378-L398 HydrophobicContact CG-CD1 3.29Å; P378-L399 WeakPolarHBondContact CD-O 3.5Å
379	L	90.6	Very high	95.5	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	5%	0.053	C	C	.	.			trans	-115.1	-47.4	-173.8	-60.9	179.4	0	0	0	112.2	F94 F293 V297 L300 H358 I377 Y384 W401	F94-L379 HydrophobicContact CE1-CD2 4.07Å; F94-L379 HydrophobicContact CZ-CD1 4.16Å; F94-L379 HydrophobicContact CZ-CD2 3.82Å; F293-L379 HydrophobicContact CD1-CD1 4Å; V297-L379 HydrophobicContact CG1-CD1 3.81Å; V297-L379 HydrophobicContact CG2-CD1 4.05Å; L300-L379 HydrophobicContact CD2-CD1 4.38Å; H358-L379 HydrophobicContact CB-CD1 4.44Å; I377-L379 HydrophobicContact CG2-CD2 4.48Å; L379-Y384 VanDerWaalsContact C-CE2 3.48Å; L379-Y384 WeakPolarHBondContact O-CE2 3.21Å; L379-Y384 PolarHBondContact O-OH 2.84Å; L379-W401 HydrophobicContact CD2-CB 4.12Å; L379-W401 HydrophobicContact CD2-CG 4.03Å
380	F	88.1	Confident	95.5	Very high	24 Å²	24	9 Å²	9	11%	0.105	5%	0.046	C	C	.	.	S	Bend	trans	-159.6	170.8	-176.9	64.1	-85.1	0	0	0	111.1	F31 M90 I93 T99 V297 H383	F31-F380 HydrophobicContact CE1-CE2 4.27Å; F31-F380 HydrophobicContact CZ-CE2 4.48Å; M90-F380 HydrophobicContact CE-CB 4.4Å; M90-F380 HydrophobicContact CE-CD1 3.22Å; M90-F380 HydrophobicContact CE-CD2 4.3Å; M90-F380 HydrophobicContact CE-CE1 3.37Å; M90-F380 HydrophobicContact CE-CE2 4.41Å; M90-F380 HydrophobicContact CE-CG 3.73Å; M90-F380 HydrophobicContact CE-CZ 3.98Å; M90-F380 HydrophobicContact SD-CD1 3.42Å; M90-F380 WeakPolarHBondContact SD-CD1 3.41Å; M90-F380 HydrophobicContact SD-CE1 3.37Å; M90-F380 WeakPolarHBondContact SD-CE1 3.44Å; M90-F380 HydrophobicContact SD-CG 4.46Å; M90-F380 HydrophobicContact SD-CZ 4.38Å; I93-F380 HydrophobicContact CD1-CB 4.13Å; T99-F380 HydrophobicContact CG2-CB 3.73Å; V297-F380 HydrophobicContact CG2-CE1 3.81Å; V297-F380 HydrophobicContact CG2-CZ 4.44Å; F380-H383 AromaticContact CD1-CE1 3.99Å; F380-H383 AromaticContact CE1-CE1 3.64Å; F380-H383 AromaticContact CZ-CE1 3.67Å; F380-H383 VanDerWaalsContact O-CB 3.23Å; F380-H383 WeakPolarHBondContact O-CB 3.33Å; F380-H383 PolarHBondContact O-N 3.04Å; F380-H383 PolarHBondContact O-ND1 2.81Å; F380-H383 VanDerWaalsContact O-ND1 3.13Å
381	G	87.3	Confident	95.5	Very high	18 Å²	18	12.4 Å²	12.4	19%	0.186	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-142.2	173.1	0	0	0	0	0	113.3	H383	G381-H383 PolarHBondContact O-N 3.28Å
382	D	89.4	Confident	95.4	Very high	31 Å²	31	14.7 Å²	14.7	17%	0.166	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5	-177.3	63.6	-18.5	0	0	0	114.6	L162 F180 Y384 D385 T386	L162-D382 HydrophobicContact CB-CB 3.75Å; L162-D382 PolarHBondContact N-OD2 2.88Å; F180-D382 HydrophobicContact CE2-CB 3.82Å; F180-D382 HydrophobicContact CZ-CB 3.99Å; D382-Y384 VanDerWaalsContact C-N 3.25Å; D382-Y384 PolarHBondContact O-N 2.81Å; D382-D385 PolarHBondContact O-N 2.65Å; D382-T386 WeakPolarHBondContact O-CB 3.42Å; D382-T386 PolarHBondContact O-N 3.05Å; D382-T386 PolarHBondContact O-OG1 3.24Å
383	H	93.7	Very high	95.4	Very high	13 Å²	13	17.1 Å²	17.1	6%	0.06	9%	0.092	C	C	.	.	H	α-helix	trans	-56.9	-40.5	179.1	-62.8	170	0	0	0	112.1	H358 P378 F380 G381 M387	H358-H383 AromaticContact CD2-CE1 3.24Å; H358-H383 PolarHBondContact CD2-CE1 3.29Å; H358-H383 AromaticContact CD2-ND1 3.62Å; H358-H383 AromaticContact CD2-NE2 3.53Å; H358-H383 AromaticContact NE2-CE1 3.98Å; H358-H383 AromaticContact NE2-NE2 3.85Å; H358-H383 VanDerWaalsContact O-CB 3.27Å; H358-H383 WeakPolarHBondContact O-CB 3.22Å; P378-H383 HydrophobicContact CB-CB 3.64Å; F380-H383 AromaticContact CD1-CE1 3.99Å; F380-H383 AromaticContact CE1-CE1 3.64Å; F380-H383 AromaticContact CZ-CE1 3.67Å; F380-H383 VanDerWaalsContact O-CB 3.23Å; F380-H383 WeakPolarHBondContact O-CB 3.33Å; F380-H383 PolarHBondContact O-N 3.04Å; F380-H383 PolarHBondContact O-ND1 2.81Å; F380-H383 VanDerWaalsContact O-ND1 3.13Å; G381-H383 PolarHBondContact O-N 3.28Å; H383-M387 WeakPolarHBondContact O-CB 3.4Å; H383-M387 WeakPolarHBondContact O-CG 3.09Å; H383-M387 PolarHBondContact O-N 3.22Å
384	Y	94.2	Very high	95.3	Very high	46 Å²	46	18.1 Å²	18.1	18%	0.18	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-51.1	-179.7	-66.6	-89.1	0	0	0	111	L183 P378 L379 D382 T386 M387 T388 W401	L183-Y384 VanDerWaalsContact CD2-CB 3.47Å; P378-Y384 HydrophobicContact CB-CD1 3.7Å; P378-Y384 HydrophobicContact CB-CD2 4.13Å; P378-Y384 HydrophobicContact CB-CE1 3.97Å; P378-Y384 HydrophobicContact CB-CE2 4.37Å; P378-Y384 HydrophobicContact CB-CG 3.78Å; P378-Y384 HydrophobicContact CG-CD1 3.4Å; P378-Y384 HydrophobicContact CG-CE1 3.67Å; P378-Y384 HydrophobicContact CG-CG 3.97Å; P378-Y384 PolarHBondContact O-OH 3.37Å; L379-Y384 VanDerWaalsContact C-CE2 3.48Å; L379-Y384 WeakPolarHBondContact O-CE2 3.21Å; L379-Y384 PolarHBondContact O-OH 2.84Å; D382-Y384 VanDerWaalsContact C-N 3.25Å; D382-Y384 PolarHBondContact O-N 2.81Å; Y384-T386 VanDerWaalsContact C-N 3.32Å; Y384-T386 PolarHBondContact O-N 2.96Å; Y384-M387 PolarHBondContact O-N 3.07Å; Y384-T388 PolarHBondContact O-N 3.48Å; Y384-T388 PolarHBondContact O-OG1 3.05Å; Y384-T388 VanDerWaalsContact O-OG1 3.06Å; Y384-W401 PolarHBondContact OH-NE1 3.13Å
385	D	94.3	Very high	95.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-35.8	178.8	-85.3	-86.6	0	0	0	113.3	L162 F180 N181 D382 T388 R389	L162-D385 HydrophobicContact CD2-CB 3.56Å; F180-D385 HydrophobicContact CD2-CB 4.17Å; F180-D385 HydrophobicContact CE2-CB 4.13Å; N181-D385 WeakPolarHBondContact CA-OD2 3.43Å; N181-D385 PolarHBondContact N-OD1 2.95Å; N181-D385 PolarHBondContact N-OD2 3.38Å; D382-D385 PolarHBondContact O-N 2.65Å; D385-T388 PolarHBondContact O-N 3.07Å; D385-R389 PolarHBondContact O-N 3.45Å; D385-R389 PolarHBondContact O-NH1 2.54Å; D385-R389 VanDerWaalsContact O-NH1 3.12Å; D385-R389 IonicContact OD1-NH1 3.82Å
386	T	95.9	Very high	95.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.1	-47.3	174.6	-56.1	0	0	0	0	109.8	L248 G359 L361 I364 D382 Y384 T388 R389 V390	L248-T386 HydrophobicContact CD2-CG2 4.35Å; G359-T386 VanDerWaalsContact O-CB 3.31Å; G359-T386 WeakPolarHBondContact O-CB 3.3Å; G359-T386 WeakPolarHBondContact O-CG2 3.37Å; L361-T386 HydrophobicContact CD1-CG2 4.23Å; I364-T386 HydrophobicContact CB-CG2 3.9Å; I364-T386 HydrophobicContact CG1-CG2 3.7Å; I364-T386 HydrophobicContact CG2-CG2 3.96Å; D382-T386 WeakPolarHBondContact O-CB 3.42Å; D382-T386 PolarHBondContact O-N 3.05Å; D382-T386 PolarHBondContact O-OG1 3.24Å; Y384-T386 VanDerWaalsContact C-N 3.32Å; Y384-T386 PolarHBondContact O-N 2.96Å; T386-T388 PolarHBondContact O-N 3.29Å; T386-R389 WeakPolarHBondContact O-CB 3.47Å; T386-R389 PolarHBondContact O-N 3.25Å; T386-V390 WeakPolarHBondContact O-CG2 3.13Å; T386-V390 PolarHBondContact O-N 3.24Å
387	M	97.4	Very high	95.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.2	-30.2	178.6	-75.1	-55.6	-45.3	0	0	113.7	I364 V374 H383 Y384 R389 V390 Q391 L398	I364-M387 HydrophobicContact CD1-SD 4.04Å; V374-M387 HydrophobicContact CG1-CE 3.95Å; V374-M387 HydrophobicContact CG1-SD 3.91Å; H383-M387 WeakPolarHBondContact O-CB 3.4Å; H383-M387 WeakPolarHBondContact O-CG 3.09Å; H383-M387 PolarHBondContact O-N 3.22Å; Y384-M387 PolarHBondContact O-N 3.07Å; M387-R389 VanDerWaalsContact C-N 3.29Å; M387-R389 PolarHBondContact O-N 3.41Å; M387-V390 HydrophobicContact CE-CB 3.89Å; M387-V390 HydrophobicContact CE-CG1 3.7Å; M387-V390 PolarHBondContact O-N 2.96Å; M387-V390 HydrophobicContact SD-CB 4.2Å; M387-V390 HydrophobicContact SD-CG1 4.33Å; M387-V390 HydrophobicContact SD-CG2 4.24Å; M387-Q391 WeakPolarHBondContact O-CB 3.32Å; M387-Q391 PolarHBondContact O-N 2.74Å; M387-L398 HydrophobicContact CB-CB 4.39Å; M387-L398 HydrophobicContact CB-CD1 3.71Å; M387-L398 HydrophobicContact CB-CG 4.43Å; M387-L398 HydrophobicContact CG-CD1 4.41Å
388	T	97.1	Very high	95.4	Very high	10 Å²	10	21.4 Å²	21.4	6%	0.061	12%	0.12	C	C	.	.	H	α-helix	trans	-57.9	-42.9	169.7	-61.4	0	0	0	0	110.9	L184 T185 Y384 D385 T386 A392	L184-T388 WeakPolarHBondContact O-CG2 3.38Å; T185-T388 HydrophobicContact CG2-CG2 4.39Å; Y384-T388 PolarHBondContact O-N 3.48Å; Y384-T388 PolarHBondContact O-OG1 3.05Å; Y384-T388 VanDerWaalsContact O-OG1 3.06Å; D385-T388 PolarHBondContact O-N 3.07Å; T386-T388 PolarHBondContact O-N 3.29Å; T388-A392 VanDerWaalsContact O-CB 3.25Å; T388-A392 WeakPolarHBondContact O-CB 3.32Å; T388-A392 PolarHBondContact O-N 3.18Å
389	R	97.1	Very high	95.5	Very high	12 Å²	12	22.6 Å²	22.6	5%	0.045	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-46.2	175.6	-71.2	165.2	175.3	68.1	-1.5	112	L248 E249 F250 D385 T386 M387 Q391 A392 K393	L248-R389 HydrophobicContact CD1-CB 3.86Å; L248-R389 HydrophobicContact CG-CB 4.13Å; E249-R389 IonicContact OE1-NE 3.1Å; E249-R389 PolarHBondContact OE1-NE 3.28Å; E249-R389 IonicContact OE1-NH2 2.86Å; E249-R389 IonicContact OE2-CZ 2.91Å; E249-R389 IonicContact OE2-NE 3.45Å; E249-R389 PolarHBondContact OE2-NE 2.79Å; E249-R389 IonicContact OE2-NH2 3.7Å; E249-R389 PolarHBondContact OE2-NH2 3.22Å; F250-R389 HydrophobicContact CD2-CG 4.31Å; F250-R389 HydrophobicContact CE2-CG 3.79Å; F250-R389 HydrophobicContact CZ-CG 4.15Å; D385-R389 PolarHBondContact O-N 3.45Å; D385-R389 PolarHBondContact O-NH1 2.54Å; D385-R389 VanDerWaalsContact O-NH1 3.12Å; D385-R389 IonicContact OD1-NH1 3.82Å; T386-R389 WeakPolarHBondContact O-CB 3.47Å; T386-R389 PolarHBondContact O-N 3.25Å; M387-R389 VanDerWaalsContact C-N 3.29Å; M387-R389 PolarHBondContact O-N 3.41Å; R389-Q391 VanDerWaalsContact C-N 3.28Å; R389-Q391 PolarHBondContact O-N 2.77Å; R389-A392 PolarHBondContact O-N 2.83Å; R389-K393 WeakPolarHBondContact O-CB 3.34Å; R389-K393 WeakPolarHBondContact O-CG 3.29Å; R389-K393 PolarHBondContact O-N 3.09Å
390	V	98	Very high	95.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.4	-45.2	176.9	169.5	0	0	0	0	111.2	L248 I364 V374 T386 M387 G394 M395 G396	L248-V390 HydrophobicContact CD1-CG2 4.07Å; I364-V390 HydrophobicContact CD1-CG2 4.27Å; I364-V390 HydrophobicContact CG1-CG2 4.46Å; I364-V390 HydrophobicContact CG2-CG2 3.59Å; V374-V390 HydrophobicContact CB-CG1 4.12Å; T386-V390 WeakPolarHBondContact O-CG2 3.13Å; T386-V390 PolarHBondContact O-N 3.24Å; M387-V390 HydrophobicContact CE-CB 3.89Å; M387-V390 HydrophobicContact CE-CG1 3.7Å; M387-V390 PolarHBondContact O-N 2.96Å; M387-V390 HydrophobicContact SD-CB 4.2Å; M387-V390 HydrophobicContact SD-CG1 4.33Å; M387-V390 HydrophobicContact SD-CG2 4.24Å; V390-G394 PolarHBondContact O-N 3.32Å; V390-M395 HydrophobicContact CG1-CB 4.18Å; V390-M395 HydrophobicContact CG1-CG 4.3Å; V390-M395 PolarHBondContact O-N 3.44Å; V390-G396 PolarHBondContact O-N 3.13Å
391	Q	98.3	Very high	95.9	Very high	100 Å²	100	27.4 Å²	27.4	47%	0.467	15%	0.148	S	C	.	.	H	α-helix	trans	-67.3	-46.8	176.9	-175.9	-177.6	-5	0	0	111.7	M387 R389 K393 G394 G396 L398	M387-Q391 WeakPolarHBondContact O-CB 3.32Å; M387-Q391 PolarHBondContact O-N 2.74Å; R389-Q391 VanDerWaalsContact C-N 3.28Å; R389-Q391 PolarHBondContact O-N 2.77Å; Q391-K393 VanDerWaalsContact C-N 3.25Å; Q391-K393 PolarHBondContact O-N 3.28Å; Q391-G394 WeakPolarHBondContact O-CA 3.34Å; Q391-G394 PolarHBondContact O-N 3.08Å; Q391-G396 WeakPolarHBondContact CA-O 3.11Å; Q391-L398 HydrophobicContact CB-CB 4.46Å; Q391-L398 VanDerWaalsContact OE1-CB 3.26Å
392	A	97.8	Very high	96.1	Very high	49 Å²	49	31.4 Å²	31.4	41%	0.405	16%	0.161	S	C	.	.	H	α-helix	trans	-61.1	-34.1	-179.6	0	0	0	0	0	112.7	T185 F250 T388 R389 G394	T185-A392 HydrophobicContact CG2-CB 3.83Å; F250-A392 HydrophobicContact CE1-CB 3.85Å; F250-A392 HydrophobicContact CZ-CB 3.72Å; T388-A392 VanDerWaalsContact O-CB 3.25Å; T388-A392 WeakPolarHBondContact O-CB 3.32Å; T388-A392 PolarHBondContact O-N 3.18Å; R389-A392 PolarHBondContact O-N 2.83Å; A392-G394 PolarHBondContact O-N 2.83Å
393	K	97.5	Very high	96.3	Very high	51 Å²	51	34.3 Å²	34.3	22%	0.222	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.2	175.8	-60.3	-77.4	-178.3	151.3	0	113.1	A247 L248 E249 R389 Q391 M395 L429	A247-K393 WeakPolarHBondContact O-CE 3.35Å; A247-K393 PolarHBondContact O-NZ 3.27Å; L248-K393 VanDerWaalsContact O-CE 3.32Å; L248-K393 WeakPolarHBondContact O-CE 3.49Å; E249-K393 WeakPolarHBondContact O-CE 3.38Å; E249-K393 PolarHBondContact O-NZ 2.71Å; R389-K393 WeakPolarHBondContact O-CB 3.34Å; R389-K393 WeakPolarHBondContact O-CG 3.29Å; R389-K393 PolarHBondContact O-N 3.09Å; Q391-K393 VanDerWaalsContact C-N 3.25Å; Q391-K393 PolarHBondContact O-N 3.28Å; K393-M395 VanDerWaalsContact C-N 3.3Å; K393-M395 PolarHBondContact O-N 3.4Å; K393-L429 HydrophobicContact CB-CD1 3.81Å; K393-L429 HydrophobicContact CB-CD2 4.49Å; K393-L429 HydrophobicContact CD-CD2 4.36Å
394	G	98	Very high	96.4	Very high	23 Å²	23	34.2 Å²	34.2	24%	0.237	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	17.8	178.6	0	0	0	0	0	114.4	V390 Q391 A392 Y422 R425	V390-G394 PolarHBondContact O-N 3.32Å; Q391-G394 WeakPolarHBondContact O-CA 3.34Å; Q391-G394 PolarHBondContact O-N 3.08Å; A392-G394 PolarHBondContact O-N 2.83Å; G394-Y422 VanDerWaalsContact O-CD1 3.27Å; G394-Y422 WeakPolarHBondContact O-CD1 3.37Å; G394-R425 WeakPolarHBondContact O-CB 3.39Å
395	M	97.9	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-85.4	-16.5	178.7	173.7	177.7	167	0	0	112.4	T367 M368 V372 P373 V374 V390 K393 A426 L429	T367-M395 HydrophobicContact CG2-CE 3.82Å; M368-M395 HydrophobicContact CB-CE 3.86Å; M368-M395 HydrophobicContact CB-SD 4.09Å; M368-M395 HydrophobicContact CG-SD 4.22Å; V372-M395 WeakPolarHBondContact O-CE 3.35Å; P373-M395 WeakPolarHBondContact CA-O 3.26Å; V374-M395 HydrophobicContact CG2-CE 4.02Å; V374-M395 PolarHBondContact N-O 2.91Å; V374-M395 VanDerWaalsContact N-O 3.14Å; V390-M395 HydrophobicContact CG1-CB 4.18Å; V390-M395 HydrophobicContact CG1-CG 4.3Å; V390-M395 PolarHBondContact O-N 3.44Å; K393-M395 VanDerWaalsContact C-N 3.3Å; K393-M395 PolarHBondContact O-N 3.4Å; M395-A426 HydrophobicContact CG-CB 3.79Å; M395-A426 HydrophobicContact SD-CB 4.4Å; M395-L429 HydrophobicContact CB-CD1 3.82Å; M395-L429 HydrophobicContact CG-CD1 4.37Å; M395-L429 HydrophobicContact SD-CD1 3.87Å
396	G	98.4	Very high	96.7	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	-176.8	-177.5	0	0	0	0	0	115.7	V374 V390 Q391	V374-G396 CarbonylContact O-C 3.55Å; V374-G396 WeakPolarHBondContact O-CA 3.23Å; V390-G396 PolarHBondContact O-N 3.13Å; Q391-G396 WeakPolarHBondContact CA-O 3.11Å
397	I	98.7	Very high	96.8	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.118	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.8	177.9	-61.9	179.4	0	0	0	108.7	V374 V375 G376 L399 A412 K415 V416 Y422	V374-I397 PolarHBondContact O-N 2.93Å; V375-I397 CarbonylContact C-O 3.47Å; V375-I397 WeakPolarHBondContact CA-O 3.26Å; G376-I397 PolarHBondContact N-O 3.45Å; I397-L399 HydrophobicContact CG2-CD2 4.01Å; I397-L399 HydrophobicContact CG2-CG 4.3Å; I397-A412 HydrophobicContact CD1-CB 4.21Å; I397-A412 HydrophobicContact CG2-CB 4.21Å; I397-K415 HydrophobicContact CD1-CB 4.29Å; I397-K415 HydrophobicContact CD1-CD 3.87Å; I397-K415 HydrophobicContact CD1-CG 4.22Å; I397-V416 HydrophobicContact CB-CG2 4.3Å; I397-V416 HydrophobicContact CD1-CG2 3.59Å; I397-V416 HydrophobicContact CG1-CG2 3.66Å; I397-Y422 HydrophobicContact CG1-CE1 3.96Å
398	L	98.1	Very high	96.8	Very high	46 Å²	46	48 Å²	48	24%	0.241	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.3	170.7	167	61.4	0	0	0	109.3	P378 M387 Q391	P378-L398 HydrophobicContact CG-CD1 3.29Å; M387-L398 HydrophobicContact CB-CB 4.39Å; M387-L398 HydrophobicContact CB-CD1 3.71Å; M387-L398 HydrophobicContact CB-CG 4.43Å; M387-L398 HydrophobicContact CG-CD1 4.41Å; Q391-L398 HydrophobicContact CB-CB 4.46Å; Q391-L398 VanDerWaalsContact OE1-CB 3.26Å
399	L	97.8	Very high	96.9	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.136	25%	0.246	C	C	.	.			trans	-121.2	142.3	173.3	-60.6	176.6	0	0	0	109.9	V375 G376 I377 P378 I397 V404 L409 A412	V375-L399 HydrophobicContact CG1-CD1 3.73Å; V375-L399 HydrophobicContact CG1-CG 4.26Å; G376-L399 PolarHBondContact O-N 3.42Å; I377-L399 HydrophobicContact CG1-CB 4.25Å; P378-L399 WeakPolarHBondContact CD-O 3.5Å; I397-L399 HydrophobicContact CG2-CD2 4.01Å; I397-L399 HydrophobicContact CG2-CG 4.3Å; L399-V404 HydrophobicContact CB-CG2 4.18Å; L399-V404 HydrophobicContact CD1-CG2 3.95Å; L399-L409 HydrophobicContact CD1-CD1 3.89Å; L399-A412 HydrophobicContact CD1-CB 3.82Å; L399-A412 HydrophobicContact CD2-CB 4.26Å; L399-A412 HydrophobicContact CG-CB 4.38Å
400	E	94.8	Very high	97	Very high	107 Å²	107	49.9 Å²	49.9	50%	0.5	26%	0.255	S	S	.	.			trans	-88.5	117.8	177.7	-178.7	172.6	-165	0	0	110.7	K402 T403 V404	E400-K402 HydrophobicContact CG-CB 4.28Å; E400-K402 PolarHBondContact O-N 3.01Å; E400-K402 VanDerWaalsContact O-N 3.1Å; E400-T403 PolarHBondContact O-N 3.18Å; E400-T403 PolarHBondContact O-OG1 3.08Å; E400-V404 VanDerWaalsContact O-CB 3.28Å; E400-V404 WeakPolarHBondContact O-CB 3.33Å; E400-V404 PolarHBondContact O-N 2.86Å
401	W	92	Very high	97	Very high	19 Å²	19	54.4 Å²	54.4	7%	0.072	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.9	-174.5	75.5	-93.6	0	0	0	113.8	I93 F94 I304 I377 L379 Y384 T403	I93-W401 HydrophobicContact CG2-CH2 4.46Å; I93-W401 HydrophobicContact CG2-CZ2 3.73Å; I93-W401 WeakPolarHBondContact O-CH2 3.31Å; F94-W401 HydrophobicContact CD1-CD2 4.43Å; F94-W401 AromaticContact CD1-CE3 3.77Å; F94-W401 HydrophobicContact CD1-CE3 3.77Å; F94-W401 AromaticContact CD1-CH2 3.92Å; F94-W401 HydrophobicContact CD1-CH2 3.92Å; F94-W401 AromaticContact CD1-CZ3 3.51Å; F94-W401 HydrophobicContact CD1-CZ3 3.51Å; F94-W401 HydrophobicContact CE1-CD2 4.19Å; F94-W401 AromaticContact CE1-CE3 3.82Å; F94-W401 HydrophobicContact CE1-CE3 3.82Å; F94-W401 HydrophobicContact CE1-CZ3 4.06Å; I304-W401 HydrophobicContact CD1-CE3 4.23Å; I304-W401 VanDerWaalsContact CD1-O 3.29Å; I304-W401 WeakPolarHBondContact CD1-O 3.48Å; I304-W401 HydrophobicContact CG1-CE3 4.42Å; I377-W401 HydrophobicContact CG2-CB 3.43Å; I377-W401 VanDerWaalsContact CG2-CB 3.43Å; L379-W401 HydrophobicContact CD2-CB 4.12Å; L379-W401 HydrophobicContact CD2-CG 4.03Å; Y384-W401 PolarHBondContact OH-NE1 3.13Å; W401-T403 VanDerWaalsContact C-N 3.34Å
402	K	90.9	Very high	97	Very high	102 Å²	102	50 Å²	50	44%	0.443	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.2	-177.7	-67.4	-175.3	177.4	-178.7	0	113.2	E400	E400-K402 HydrophobicContact CG-CB 4.28Å; E400-K402 PolarHBondContact O-N 3.01Å; E400-K402 VanDerWaalsContact O-N 3.1Å
403	T	94.4	Very high	97.1	Very high	92 Å²	92	47.6 Å²	47.6	56%	0.564	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-18.3	-170.5	52.9	0	0	0	0	112.5	E400 W401 T405	E400-T403 PolarHBondContact O-N 3.18Å; E400-T403 PolarHBondContact O-OG1 3.08Å; W401-T403 VanDerWaalsContact C-N 3.34Å; T403-T405 PolarHBondContact O-N 3.26Å
404	V	96.1	Very high	97.1	Very high	10 Å²	10	47 Å²	47	6%	0.061	24%	0.237	C	C	.	.			trans	-57.7	131.1	-176.7	70.5	0	0	0	0	112.2	K307 L399 E400 E408 L409	K307-V404 PolarHBondContact NZ-O 2.74Å; L399-V404 HydrophobicContact CB-CG2 4.18Å; L399-V404 HydrophobicContact CD1-CG2 3.95Å; E400-V404 VanDerWaalsContact O-CB 3.28Å; E400-V404 WeakPolarHBondContact O-CB 3.33Å; E400-V404 PolarHBondContact O-N 2.86Å; V404-E408 HydrophobicContact CG2-CB 4.35Å; V404-L409 HydrophobicContact CG2-CB 4.2Å
405	T	97.3	Very high	97.1	Very high	61 Å²	61	51.3 Å²	51.3	37%	0.374	25%	0.249	S	C	.	.			trans	-96.8	160.1	172	64.3	0	0	0	0	111.2	T403 K407 E408 L409	T403-T405 PolarHBondContact O-N 3.26Å; T405-K407 PolarHBondContact O-N 3.02Å; T405-E408 WeakPolarHBondContact CB-OE2 3.43Å; T405-E408 WeakPolarHBondContact CG2-OE2 3.22Å; T405-E408 PolarHBondContact N-OE2 3.36Å; T405-E408 PolarHBondContact O-N 3.49Å; T405-E408 WeakPolarHBondContact OG1-CB 3.1Å; T405-E408 VanDerWaalsContact OG1-CD 3.27Å; T405-E408 VanDerWaalsContact OG1-CG 3.24Å; T405-E408 WeakPolarHBondContact OG1-CG 3.42Å; T405-E408 PolarHBondContact OG1-N 3.28Å; T405-E408 PolarHBondContact OG1-OE2 3.36Å; T405-L409 PolarHBondContact O-N 2.93Å
406	E	97.3	Very high	97.2	Very high	59 Å²	59	51.4 Å²	51.4	28%	0.276	25%	0.25	S	C	.	.	H	α-helix	trans	-54.9	-40.5	172.5	-173.9	-167.9	116.3	0	0	111.7	A311 R314 L409 Y410	A311-E406 HydrophobicContact CB-CG 3.87Å; A311-E406 WeakPolarHBondContact CB-O 3.26Å; A311-E406 VanDerWaalsContact N-CG 3.34Å; R314-E406 IonicContact NH1-OE1 2.66Å; E406-L409 PolarHBondContact O-N 3.21Å; E406-Y410 WeakPolarHBondContact O-CB 3.38Å; E406-Y410 PolarHBondContact O-N 3.16Å
407	K	98.2	Very high	97.2	Very high	125 Å²	125	52.8 Å²	52.8	54%	0.543	26%	0.256	S	S	.	.	H	α-helix	trans	-63.2	-50.2	179.7	180	179.4	171.3	-177.8	0	111.6	T405 L409 Y410 E411	T405-K407 PolarHBondContact O-N 3.02Å; K407-L409 VanDerWaalsContact C-N 3.3Å; K407-L409 PolarHBondContact O-N 2.8Å; K407-Y410 PolarHBondContact O-N 3.29Å; K407-E411 WeakPolarHBondContact CE-OE1 3.46Å; K407-E411 HydrophobicContact CG-CG 4.44Å; K407-E411 WeakPolarHBondContact CG-OE1 3.28Å; K407-E411 IonicContact NZ-OE1 3.08Å; K407-E411 WeakPolarHBondContact O-CB 3.42Å; K407-E411 WeakPolarHBondContact O-CG 3.4Å; K407-E411 PolarHBondContact O-N 2.96Å
408	E	98.1	Very high	97.1	Very high	90 Å²	90	57.2 Å²	57.2	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-38.6	179.4	-71.6	162.6	144.4	0	0	111.8	V404 T405 E411 A412	V404-E408 HydrophobicContact CG2-CB 4.35Å; T405-E408 WeakPolarHBondContact CB-OE2 3.43Å; T405-E408 WeakPolarHBondContact CG2-OE2 3.22Å; T405-E408 PolarHBondContact N-OE2 3.36Å; T405-E408 PolarHBondContact O-N 3.49Å; T405-E408 WeakPolarHBondContact OG1-CB 3.1Å; T405-E408 VanDerWaalsContact OG1-CD 3.27Å; T405-E408 VanDerWaalsContact OG1-CG 3.24Å; T405-E408 WeakPolarHBondContact OG1-CG 3.42Å; T405-E408 PolarHBondContact OG1-N 3.28Å; T405-E408 PolarHBondContact OG1-OE2 3.36Å; E408-E411 PolarHBondContact O-N 2.99Å; E408-A412 VanDerWaalsContact O-CB 3.32Å; E408-A412 WeakPolarHBondContact O-CB 3.46Å; E408-A412 PolarHBondContact O-N 3.09Å
409	L	98.3	Very high	97.2	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-47.7	175.6	176.8	60.5	0	0	0	111.7	L308 A311 L356 V375 I377 L399 V404 T405 E406 K407 A412 L413	L308-L409 HydrophobicContact CD2-CD2 3.62Å; L308-L409 HydrophobicContact CG-CD2 4.25Å; A311-L409 HydrophobicContact CB-CB 3.99Å; A311-L409 HydrophobicContact CB-CD2 3.57Å; A311-L409 HydrophobicContact CB-CG 3.72Å; L356-L409 HydrophobicContact CD1-CD1 4.06Å; L356-L409 HydrophobicContact CD2-CD1 4.23Å; V375-L409 HydrophobicContact CG1-CD1 4.34Å; I377-L409 HydrophobicContact CD1-CD1 3.97Å; L399-L409 HydrophobicContact CD1-CD1 3.89Å; V404-L409 HydrophobicContact CG2-CB 4.2Å; T405-L409 PolarHBondContact O-N 2.93Å; E406-L409 PolarHBondContact O-N 3.21Å; K407-L409 VanDerWaalsContact C-N 3.3Å; K407-L409 PolarHBondContact O-N 2.8Å; L409-A412 PolarHBondContact O-N 3.36Å; L409-L413 HydrophobicContact CD1-CD1 4.09Å; L409-L413 HydrophobicContact CD1-CG 4.44Å; L409-L413 HydrophobicContact CG-CD1 4.16Å; L409-L413 WeakPolarHBondContact O-CG 3.45Å; L409-L413 PolarHBondContact O-N 2.92Å
410	Y	98.6	Very high	97.2	Very high	60 Å²	60	60.5 Å²	60.5	24%	0.235	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-48.2	175.4	169.8	-98.6	0	0	0	111.3	R314 L315 E406 K407 A412 L413 V414	R314-Y410 HydrophobicContact CB-CD2 3.6Å; R314-Y410 HydrophobicContact CB-CE2 3.56Å; L315-Y410 HydrophobicContact CD2-CD2 4.02Å; L315-Y410 HydrophobicContact CD2-CE2 3.97Å; E406-Y410 WeakPolarHBondContact O-CB 3.38Å; E406-Y410 PolarHBondContact O-N 3.16Å; K407-Y410 PolarHBondContact O-N 3.29Å; Y410-A412 VanDerWaalsContact C-N 3.34Å; Y410-A412 PolarHBondContact O-N 3Å; Y410-L413 PolarHBondContact O-N 3.37Å; Y410-V414 HydrophobicContact CD1-CG2 4.27Å; Y410-V414 HydrophobicContact CD2-CG2 4.09Å; Y410-V414 HydrophobicContact CE1-CG2 3.87Å; Y410-V414 HydrophobicContact CE2-CG2 3.66Å; Y410-V414 HydrophobicContact CG-CG2 4.39Å; Y410-V414 WeakPolarHBondContact O-CB 3.44Å; Y410-V414 VanDerWaalsContact O-CG2 3.31Å; Y410-V414 WeakPolarHBondContact O-CG2 3.47Å; Y410-V414 PolarHBondContact O-N 3.29Å
411	E	98.7	Very high	97.4	Very high	95 Å²	95	57.7 Å²	57.7	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-40	179.9	-74	175	175.9	0	0	112.1	K407 E408 K415	K407-E411 WeakPolarHBondContact CE-OE1 3.46Å; K407-E411 HydrophobicContact CG-CG 4.44Å; K407-E411 WeakPolarHBondContact CG-OE1 3.28Å; K407-E411 IonicContact NZ-OE1 3.08Å; K407-E411 WeakPolarHBondContact O-CB 3.42Å; K407-E411 WeakPolarHBondContact O-CG 3.4Å; K407-E411 PolarHBondContact O-N 2.96Å; E408-E411 PolarHBondContact O-N 2.99Å; E411-K415 WeakPolarHBondContact O-CB 3.41Å; E411-K415 PolarHBondContact O-N 3.45Å
412	A	98.7	Very high	97.7	Very high	6 Å²	6	58.2 Å²	58.2	5%	0.05	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-45.1	175.8	0	0	0	0	0	112.1	V375 I397 L399 E408 L409 Y410 K415 V416	V375-A412 HydrophobicContact CG1-CB 4.11Å; V375-A412 HydrophobicContact CG2-CB 4.28Å; I397-A412 HydrophobicContact CD1-CB 4.21Å; I397-A412 HydrophobicContact CG2-CB 4.21Å; L399-A412 HydrophobicContact CD1-CB 3.82Å; L399-A412 HydrophobicContact CD2-CB 4.26Å; L399-A412 HydrophobicContact CG-CB 4.38Å; E408-A412 VanDerWaalsContact O-CB 3.32Å; E408-A412 WeakPolarHBondContact O-CB 3.46Å; E408-A412 PolarHBondContact O-N 3.09Å; L409-A412 PolarHBondContact O-N 3.36Å; Y410-A412 VanDerWaalsContact C-N 3.34Å; Y410-A412 PolarHBondContact O-N 3Å; A412-K415 PolarHBondContact O-N 2.9Å; A412-V416 WeakPolarHBondContact O-CB 3.44Å; A412-V416 WeakPolarHBondContact O-CG2 3.32Å; A412-V416 PolarHBondContact O-N 3.14Å
413	L	98.7	Very high	98	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-48.9	177.3	-73.3	164.3	0	0	0	111.1	V289 L312 L315 L356 V375 L409 Y410 K415 V416 I417	V289-L413 HydrophobicContact CG1-CD2 4.34Å; L312-L413 HydrophobicContact CD2-CD1 4.01Å; L315-L413 HydrophobicContact CD1-CB 4.46Å; L315-L413 HydrophobicContact CD1-CD1 4.14Å; L315-L413 HydrophobicContact CD2-CB 4.34Å; L356-L413 HydrophobicContact CB-CD2 4.39Å; L356-L413 HydrophobicContact CD2-CD1 4.43Å; V375-L413 HydrophobicContact CB-CD2 4.05Å; V375-L413 HydrophobicContact CG2-CD2 3.82Å; V375-L413 HydrophobicContact CG2-CG 4.23Å; L409-L413 HydrophobicContact CD1-CD1 4.09Å; L409-L413 HydrophobicContact CD1-CG 4.44Å; L409-L413 HydrophobicContact CG-CD1 4.16Å; L409-L413 WeakPolarHBondContact O-CG 3.45Å; L409-L413 PolarHBondContact O-N 2.92Å; Y410-L413 PolarHBondContact O-N 3.37Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 3.4Å; L413-V416 PolarHBondContact O-N 2.78Å; L413-I417 WeakPolarHBondContact O-CB 3.35Å; L413-I417 WeakPolarHBondContact O-CD1 3.32Å; L413-I417 WeakPolarHBondContact O-CG1 3.27Å; L413-I417 PolarHBondContact O-N 2.84Å
414	V	98.7	Very high	98.3	Very high	37 Å²	37	58.4 Å²	58.4	22%	0.224	29%	0.29	C	S	.	.	H	α-helix	trans	-57.5	-44.4	176	169.9	0	0	0	0	111	L315 Y410 I417 N418	L315-V414 HydrophobicContact CD2-CG2 4Å; Y410-V414 HydrophobicContact CD1-CG2 4.27Å; Y410-V414 HydrophobicContact CD2-CG2 4.09Å; Y410-V414 HydrophobicContact CE1-CG2 3.87Å; Y410-V414 HydrophobicContact CE2-CG2 3.66Å; Y410-V414 HydrophobicContact CG-CG2 4.39Å; Y410-V414 WeakPolarHBondContact O-CB 3.44Å; Y410-V414 VanDerWaalsContact O-CG2 3.31Å; Y410-V414 WeakPolarHBondContact O-CG2 3.47Å; Y410-V414 PolarHBondContact O-N 3.29Å; V414-I417 PolarHBondContact O-N 2.84Å; V414-N418 WeakPolarHBondContact CG1-ND2 3.19Å; V414-N418 VanDerWaalsContact O-CB 3.3Å; V414-N418 WeakPolarHBondContact O-CB 3.33Å; V414-N418 PolarHBondContact O-N 2.82Å; V414-N418 PolarHBondContact O-ND2 2.9Å
415	K	98.7	Very high	98.4	Very high	114 Å²	114	65.1 Å²	65.1	50%	0.496	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-46.2	179.5	-175.7	175	-176.8	-176.5	0	112	I397 E411 A412 L413 I417 N419 Y422	I397-K415 HydrophobicContact CD1-CB 4.29Å; I397-K415 HydrophobicContact CD1-CD 3.87Å; I397-K415 HydrophobicContact CD1-CG 4.22Å; E411-K415 WeakPolarHBondContact O-CB 3.41Å; E411-K415 PolarHBondContact O-N 3.45Å; A412-K415 PolarHBondContact O-N 2.9Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 3.4Å; K415-I417 VanDerWaalsContact C-N 3.35Å; K415-N419 WeakPolarHBondContact O-CB 3.37Å; K415-N419 PolarHBondContact O-N 2.68Å; K415-Y422 HydrophobicContact CG-CE2 4.15Å
416	V	98.5	Very high	98.4	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-35.9	179.7	168.3	0	0	0	0	111.9	A354 P373 V375 I397 A412 L413 Y422	A354-V416 HydrophobicContact CB-CG1 4.2Å; P373-V416 HydrophobicContact CB-CG1 3.19Å; P373-V416 HydrophobicContact CG-CG1 4.31Å; V375-V416 HydrophobicContact CG2-CB 4.08Å; V375-V416 HydrophobicContact CG2-CG2 3.76Å; I397-V416 HydrophobicContact CB-CG2 4.3Å; I397-V416 HydrophobicContact CD1-CG2 3.59Å; I397-V416 HydrophobicContact CG1-CG2 3.66Å; A412-V416 WeakPolarHBondContact O-CB 3.44Å; A412-V416 WeakPolarHBondContact O-CG2 3.32Å; A412-V416 PolarHBondContact O-N 3.14Å; L413-V416 PolarHBondContact O-N 2.78Å; V416-Y422 HydrophobicContact CG2-CD1 4.34Å; V416-Y422 HydrophobicContact CG2-CD2 4.26Å; V416-Y422 HydrophobicContact CG2-CE1 4.38Å; V416-Y422 HydrophobicContact CG2-CE2 4.31Å; V416-Y422 HydrophobicContact CG2-CG 4.28Å
417	I	98.4	Very high	98.5	Very high	31 Å²	31	63.4 Å²	63.4	16%	0.159	30%	0.302	C	S	.	.	H	α-helix	trans	-71.9	-43	178.8	-68.6	166.3	0	0	0	111.6	V289 Q317 K353 A354 L413 V414 K415	V289-I417 HydrophobicContact CG2-CD1 3.75Å; Q317-I417 HydrophobicContact CG-CD1 4.47Å; K353-I417 HydrophobicContact CB-CG1 4.1Å; K353-I417 HydrophobicContact CB-CG2 4.2Å; A354-I417 HydrophobicContact CB-CD1 4.44Å; A354-I417 HydrophobicContact CB-CG1 3.84Å; L413-I417 WeakPolarHBondContact O-CB 3.35Å; L413-I417 WeakPolarHBondContact O-CD1 3.32Å; L413-I417 WeakPolarHBondContact O-CG1 3.27Å; L413-I417 PolarHBondContact O-N 2.84Å; V414-I417 PolarHBondContact O-N 2.84Å; K415-I417 VanDerWaalsContact C-N 3.35Å
418	N	98.1	Very high	98.5	Very high	116 Å²	116	62.5 Å²	62.5	62%	0.62	30%	0.298	S	S	*	.	H	α-helix	trans	-93.9	-21.7	-170.4	-68	-23.2	0	0	0	114.1	V414 P420	V414-N418 WeakPolarHBondContact CG1-ND2 3.19Å; V414-N418 VanDerWaalsContact O-CB 3.3Å; V414-N418 WeakPolarHBondContact O-CB 3.33Å; V414-N418 PolarHBondContact O-N 2.82Å; V414-N418 PolarHBondContact O-ND2 2.9Å; N418-P420 WeakPolarHBondContact O-CD 2.9Å
419	N	98.5	Very high	98.5	Very high	61 Å²	61	58.9 Å²	58.9	33%	0.326	28%	0.282	S	S	.	.			trans	-89.3	110.7	177.1	-175.3	-25.5	0	0	0	110.2	K415 S421 Y422	K415-N419 WeakPolarHBondContact O-CB 3.37Å; K415-N419 PolarHBondContact O-N 2.68Å; N419-S421 VanDerWaalsContact CG-OG 3.28Å; N419-S421 PolarHBondContact O-N 3.12Å; N419-S421 VanDerWaalsContact O-N 3.09Å; N419-S421 VanDerWaalsContact OD1-CB 3.32Å; N419-S421 WeakPolarHBondContact OD1-CB 3.47Å; N419-S421 PolarHBondContact OD1-N 2.85Å; N419-S421 PolarHBondContact OD1-OG 2.99Å; N419-Y422 HydrophobicContact CB-CD2 3.98Å; N419-Y422 HydrophobicContact CB-CE2 4.16Å; N419-Y422 PolarHBondContact O-N 2.89Å
420	P	98	Very high	98.5	Very high	80 Å²	80	59.2 Å²	59.2	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-20.4	-174.1	26.7	-35.4	0	0	0	113.4	N418 Y422 R423 Q424	N418-P420 WeakPolarHBondContact O-CD 2.9Å; P420-Y422 VanDerWaalsContact C-N 3.26Å; P420-Y422 PolarHBondContact O-N 2.92Å; P420-R423 PolarHBondContact O-N 2.71Å; P420-R423 VanDerWaalsContact O-N 3.16Å; P420-Q424 WeakPolarHBondContact O-CB 3.09Å; P420-Q424 VanDerWaalsContact O-CG 3.31Å; P420-Q424 WeakPolarHBondContact O-CG 3.15Å; P420-Q424 PolarHBondContact O-N 3.18Å
421	S	98.6	Very high	98.5	Very high	48 Å²	48	61.4 Å²	61.4	34%	0.336	30%	0.296	S	S	.	.	H	α-helix	trans	-58.4	-36.9	179.8	64.6	0	0	0	0	112.6	N419 Q424 R425	N419-S421 VanDerWaalsContact CG-OG 3.28Å; N419-S421 PolarHBondContact O-N 3.12Å; N419-S421 VanDerWaalsContact O-N 3.09Å; N419-S421 VanDerWaalsContact OD1-CB 3.32Å; N419-S421 WeakPolarHBondContact OD1-CB 3.47Å; N419-S421 PolarHBondContact OD1-N 2.85Å; N419-S421 PolarHBondContact OD1-OG 2.99Å; S421-Q424 PolarHBondContact O-N 3.13Å; S421-R425 WeakPolarHBondContact O-CB 3.29Å; S421-R425 WeakPolarHBondContact O-CG 3.45Å; S421-R425 PolarHBondContact O-N 2.84Å
422	Y	98.8	Very high	98.4	Very high	31 Å²	31	60 Å²	60	12%	0.122	29%	0.291	C	S	.	.	H	α-helix	trans	-65.9	-43.8	177.2	-68.4	-78.8	0	0	0	111.9	G394 I397 K415 V416 N419 P420 R425 A426	G394-Y422 VanDerWaalsContact O-CD1 3.27Å; G394-Y422 WeakPolarHBondContact O-CD1 3.37Å; I397-Y422 HydrophobicContact CG1-CE1 3.96Å; K415-Y422 HydrophobicContact CG-CE2 4.15Å; V416-Y422 HydrophobicContact CG2-CD1 4.34Å; V416-Y422 HydrophobicContact CG2-CD2 4.26Å; V416-Y422 HydrophobicContact CG2-CE1 4.38Å; V416-Y422 HydrophobicContact CG2-CE2 4.31Å; V416-Y422 HydrophobicContact CG2-CG 4.28Å; N419-Y422 HydrophobicContact CB-CD2 3.98Å; N419-Y422 HydrophobicContact CB-CE2 4.16Å; N419-Y422 PolarHBondContact O-N 2.89Å; P420-Y422 VanDerWaalsContact C-N 3.26Å; P420-Y422 PolarHBondContact O-N 2.92Å; Y422-R425 PolarHBondContact O-N 2.69Å; Y422-A426 WeakPolarHBondContact O-CB 3.42Å; Y422-A426 PolarHBondContact O-N 3.42Å
423	R	98.5	Very high	98.3	Very high	75 Å²	75	60 Å²	60	28%	0.283	29%	0.29	S	S	.	.	H	α-helix	trans	-65.2	-43.6	177.1	-176.1	64.7	175.9	-169.8	-4.5	111.4	G371 P373 P420 R425 A426 Q427	G371-R423 VanDerWaalsContact O-CD 3.3Å; G371-R423 WeakPolarHBondContact O-CD 3.34Å; G371-R423 VanDerWaalsContact O-CZ 3.25Å; G371-R423 PolarHBondContact O-NE 3.1Å; G371-R423 PolarHBondContact O-NH1 2.51Å; P373-R423 HydrophobicContact CG-CB 3.94Å; P420-R423 PolarHBondContact O-N 2.71Å; P420-R423 VanDerWaalsContact O-N 3.16Å; R423-R425 PolarHBondContact O-N 3.46Å; R423-A426 PolarHBondContact O-N 3Å; R423-Q427 WeakPolarHBondContact O-CB 3.38Å; R423-Q427 VanDerWaalsContact O-CG 3.27Å; R423-Q427 WeakPolarHBondContact O-CG 3.36Å; R423-Q427 PolarHBondContact O-N 3.26Å
424	Q	98.7	Very high	98.2	Very high	122 Å²	122	64.8 Å²	64.8	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-61.9	-43	176.4	-71.1	170.8	-1.1	0	0	111.6	P420 S421 Q427 K428	P420-Q424 WeakPolarHBondContact O-CB 3.09Å; P420-Q424 VanDerWaalsContact O-CG 3.31Å; P420-Q424 WeakPolarHBondContact O-CG 3.15Å; P420-Q424 PolarHBondContact O-N 3.18Å; S421-Q424 PolarHBondContact O-N 3.13Å; Q424-Q427 PolarHBondContact O-N 2.75Å; Q424-K428 WeakPolarHBondContact O-CB 3.27Å; Q424-K428 PolarHBondContact O-N 3.34Å
425	R	98.6	Very high	98	Very high	151 Å²	151	69.7 Å²	69.7	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-64.4	-45.8	174.7	-71.4	-66.8	-174.4	-173.5	1.8	111.7	G394 S421 Y422 R423 Q427 K428 L429	G394-R425 WeakPolarHBondContact O-CB 3.39Å; S421-R425 WeakPolarHBondContact O-CB 3.29Å; S421-R425 WeakPolarHBondContact O-CG 3.45Å; S421-R425 PolarHBondContact O-N 2.84Å; Y422-R425 PolarHBondContact O-N 2.69Å; R423-R425 PolarHBondContact O-N 3.46Å; R425-Q427 VanDerWaalsContact C-N 3.35Å; R425-Q427 PolarHBondContact O-N 2.9Å; R425-K428 PolarHBondContact O-N 3.26Å; R425-L429 WeakPolarHBondContact O-CG 3.24Å; R425-L429 PolarHBondContact O-N 3.01Å
426	A	98.6	Very high	97.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-44.6	176.7	0	0	0	0	0	111.9	G371 P373 M395 Y422 R423 L429 S430	G371-A426 VanDerWaalsContact C-CB 3.47Å; G371-A426 WeakPolarHBondContact O-CB 3.31Å; P373-A426 HydrophobicContact CG-CB 4.42Å; M395-A426 HydrophobicContact CG-CB 3.79Å; M395-A426 HydrophobicContact SD-CB 4.4Å; Y422-A426 WeakPolarHBondContact O-CB 3.42Å; Y422-A426 PolarHBondContact O-N 3.42Å; R423-A426 PolarHBondContact O-N 3Å; A426-L429 PolarHBondContact O-N 3.06Å; A426-S430 PolarHBondContact O-N 3.01Å
427	Q	98.6	Very high	97.3	Very high	84 Å²	84	71.1 Å²	71.1	39%	0.393	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-42.2	174.9	-74.3	171.1	-36	0	0	111.6	R423 Q424 R425 L429 S430 E431	R423-Q427 WeakPolarHBondContact O-CB 3.38Å; R423-Q427 VanDerWaalsContact O-CG 3.27Å; R423-Q427 WeakPolarHBondContact O-CG 3.36Å; R423-Q427 PolarHBondContact O-N 3.26Å; Q424-Q427 PolarHBondContact O-N 2.75Å; R425-Q427 VanDerWaalsContact C-N 3.35Å; R425-Q427 PolarHBondContact O-N 2.9Å; Q427-L429 VanDerWaalsContact C-N 3.32Å; Q427-L429 PolarHBondContact O-N 3.13Å; Q427-S430 VanDerWaalsContact O-CB 3.23Å; Q427-S430 WeakPolarHBondContact O-CB 3.39Å; Q427-S430 PolarHBondContact O-N 3.41Å; Q427-S430 VanDerWaalsContact O-N 3.14Å; Q427-E431 WeakPolarHBondContact O-CG 3.47Å; Q427-E431 PolarHBondContact O-N 2.67Å
428	K	98.6	Very high	96.9	Very high	107 Å²	107	72 Å²	72	47%	0.465	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-40.8	177.5	-174.1	56.8	-176.6	173.5	0	112.3	Q424 R425 S430 E431 I432	Q424-K428 WeakPolarHBondContact O-CB 3.27Å; Q424-K428 PolarHBondContact O-N 3.34Å; R425-K428 PolarHBondContact O-N 3.26Å; K428-S430 VanDerWaalsContact C-N 3.35Å; K428-E431 VanDerWaalsContact CD-OE2 3.31Å; K428-E431 WeakPolarHBondContact CD-OE2 3.49Å; K428-E431 IonicContact NZ-OE2 3.41Å; K428-E431 PolarHBondContact NZ-OE2 3.41Å; K428-E431 PolarHBondContact O-N 3.01Å; K428-I432 HydrophobicContact CG-CD1 4.25Å; K428-I432 WeakPolarHBondContact O-CG1 3.44Å; K428-I432 PolarHBondContact O-N 3.14Å
429	L	98.3	Very high	96.7	Very high	14 Å²	14	69.6 Å²	69.6	7%	0.073	36%	0.356	C	S	.	.	H	α-helix	trans	-67.9	-35.6	174.8	-64.8	174.2	0	0	0	111.9	M368 K393 M395 R425 A426 Q427 I432 H433	M368-L429 HydrophobicContact CG-CB 3.79Å; M368-L429 HydrophobicContact SD-CB 3.84Å; M368-L429 HydrophobicContact SD-CD1 4.48Å; K393-L429 HydrophobicContact CB-CD1 3.81Å; K393-L429 HydrophobicContact CB-CD2 4.49Å; K393-L429 HydrophobicContact CD-CD2 4.36Å; M395-L429 HydrophobicContact CB-CD1 3.82Å; M395-L429 HydrophobicContact CG-CD1 4.37Å; M395-L429 HydrophobicContact SD-CD1 3.87Å; R425-L429 WeakPolarHBondContact O-CG 3.24Å; R425-L429 PolarHBondContact O-N 3.01Å; A426-L429 PolarHBondContact O-N 3.06Å; Q427-L429 VanDerWaalsContact C-N 3.32Å; Q427-L429 PolarHBondContact O-N 3.13Å; L429-I432 PolarHBondContact O-N 2.94Å; L429-H433 WeakPolarHBondContact O-CB 3.46Å; L429-H433 PolarHBondContact O-N 3.48Å
430	S	98.3	Very high	96.5	Very high	10 Å²	10	67.1 Å²	67.1	7%	0.07	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-46.8	172.2	-175.4	0	0	0	0	111.9	M368 Y369 A426 Q427 K428 H433 K434	M368-S430 VanDerWaalsContact O-CA 3.25Å; M368-S430 WeakPolarHBondContact O-CA 3.43Å; M368-S430 WeakPolarHBondContact O-CB 3.48Å; M368-S430 PolarHBondContact O-OG 3.18Å; Y369-S430 PolarHBondContact O-OG 3.32Å; A426-S430 PolarHBondContact O-N 3.01Å; Q427-S430 VanDerWaalsContact O-CB 3.23Å; Q427-S430 WeakPolarHBondContact O-CB 3.39Å; Q427-S430 PolarHBondContact O-N 3.41Å; Q427-S430 VanDerWaalsContact O-N 3.14Å; K428-S430 VanDerWaalsContact C-N 3.35Å; S430-H433 PolarHBondContact O-N 3.32Å; S430-K434 WeakPolarHBondContact O-CB 3.38Å; S430-K434 WeakPolarHBondContact O-CG 3.36Å; S430-K434 PolarHBondContact O-N 2.84Å; S430-K434 PolarHBondContact OG-NZ 3.07Å; S430-K434 VanDerWaalsContact OG-NZ 3.08Å
431	E	97.9	Very high	96.5	Very high	105 Å²	105	64 Å²	64	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-58	-51.6	176.4	-69.8	168.3	-168.3	0	0	110.9	Q427 K428 H433 K434 D435	Q427-E431 WeakPolarHBondContact O-CG 3.47Å; Q427-E431 PolarHBondContact O-N 2.67Å; K428-E431 VanDerWaalsContact CD-OE2 3.31Å; K428-E431 WeakPolarHBondContact CD-OE2 3.49Å; K428-E431 IonicContact NZ-OE2 3.41Å; K428-E431 PolarHBondContact NZ-OE2 3.41Å; K428-E431 PolarHBondContact O-N 3.01Å; E431-H433 VanDerWaalsContact C-N 3.34Å; E431-H433 PolarHBondContact O-N 3.24Å; E431-K434 PolarHBondContact O-N 3.07Å; E431-D435 VanDerWaalsContact O-CB 3.22Å; E431-D435 WeakPolarHBondContact O-CB 3.5Å; E431-D435 PolarHBondContact O-N 2.95Å
432	I	97.3	Very high	96.3	Very high	65 Å²	65	65.2 Å²	65.2	33%	0.333	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-41.2	-179.4	-62.6	164.3	0	0	0	111.1	A247 K428 L429 K434 D435	A247-I432 HydrophobicContact CB-CB 4.15Å; A247-I432 HydrophobicContact CB-CG2 3.84Å; K428-I432 HydrophobicContact CG-CD1 4.25Å; K428-I432 WeakPolarHBondContact O-CG1 3.44Å; K428-I432 PolarHBondContact O-N 3.14Å; L429-I432 PolarHBondContact O-N 2.94Å; I432-K434 PolarHBondContact O-N 3.43Å; I432-D435 PolarHBondContact O-N 3.32Å
433	H	96.4	Very high	96.2	Very high	6 Å²	6	65.1 Å²	65.1	3%	0.028	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-43.8	179.4	176.5	61.3	0	0	0	111.6	D245 A247 F365 M368 Y369 L429 S430 E431 Q436	D245-H433 IonicContact OD2-CE1 3.57Å; D245-H433 IonicContact OD2-CG 3.9Å; D245-H433 IonicContact OD2-ND1 2.89Å; D245-H433 PolarHBondContact OD2-ND1 2.98Å; A247-H433 HydrophobicContact CB-CB 4.11Å; F365-H433 AromaticContact CD1-CE1 3.61Å; F365-H433 AromaticContact CE1-CE1 3.95Å; M368-H433 HydrophobicContact CE-CB 3.95Å; Y369-H433 AromaticContact CD2-CD2 3.9Å; L429-H433 WeakPolarHBondContact O-CB 3.46Å; L429-H433 PolarHBondContact O-N 3.48Å; S430-H433 PolarHBondContact O-N 3.32Å; E431-H433 VanDerWaalsContact C-N 3.34Å; E431-H433 PolarHBondContact O-N 3.24Å; H433-Q436 PolarHBondContact O-NE2 3.02Å
434	K	95.7	Very high	96.1	Very high	102 Å²	102	61.5 Å²	61.5	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-75.2	-30.4	179.4	-71.2	170	178.4	161.1	0	112.9	Y369 S430 E431 I432 Q436	Y369-K434 HydrophobicContact CD2-CD 4.49Å; Y369-K434 HydrophobicContact CD2-CG 4.01Å; Y369-K434 HydrophobicContact CE2-CD 4.25Å; Y369-K434 VanDerWaalsContact CE2-CE 3.49Å; Y369-K434 HydrophobicContact CE2-CG 3.9Å; Y369-K434 WeakPolarHBondContact O-CE 3.36Å; Y369-K434 PolarHBondContact O-NZ 3.16Å; S430-K434 WeakPolarHBondContact O-CB 3.38Å; S430-K434 WeakPolarHBondContact O-CG 3.36Å; S430-K434 PolarHBondContact O-N 2.84Å; S430-K434 PolarHBondContact OG-NZ 3.07Å; S430-K434 VanDerWaalsContact OG-NZ 3.08Å; E431-K434 PolarHBondContact O-N 3.07Å; I432-K434 PolarHBondContact O-N 3.43Å; K434-Q436 VanDerWaalsContact C-N 3.25Å; K434-Q436 PolarHBondContact O-N 2.94Å
435	D	95.3	Very high	96	Very high	140 Å²	140	55.7 Å²	55.7	75%	0.749	28%	0.284	S	S	*	.	S	Bend	trans	-81.8	69.2	179.3	-170.3	20.3	0	0	0	111.6	E431 I432	E431-D435 VanDerWaalsContact O-CB 3.22Å; E431-D435 WeakPolarHBondContact O-CB 3.5Å; E431-D435 PolarHBondContact O-N 2.95Å; I432-D435 PolarHBondContact O-N 3.32Å
436	Q	91.4	Very high	95.9	Very high	33 Å²	33	53.9 Å²	53.9	15%	0.154	28%	0.278	C	S	.	.	S	Bend	trans	-138.6	161.5	175.7	-64.1	-174.9	60.9	0	0	110.2	D245 H433 K434 G438	D245-Q436 PolarHBondContact OD2-NE2 3.33Å; H433-Q436 PolarHBondContact O-NE2 3.02Å; K434-Q436 VanDerWaalsContact C-N 3.25Å; K434-Q436 PolarHBondContact O-N 2.94Å; Q436-G438 PolarHBondContact O-N 3.49Å
437	P	90.6	Very high	95.8	Very high	112 Å²	112	56.1 Å²	56.1	73%	0.727	29%	0.286	S	S	*	.	S	Bend	trans	-60.6	97.9	178.6	-24.9	35.5	0	0	0	112.1	R443	P437-R443 PolarHBondContact O-NE 2.93Å; P437-R443 PolarHBondContact O-NH2 3Å
438	G	89.8	Confident	95.8	Very high	50 Å²	50	52.1 Å²	52.1	52%	0.515	27%	0.267	S	S	.	.	S	Bend	trans	65.5	171.3	-178.7	0	0	0	0	0	115	Q436 R443	Q436-G438 PolarHBondContact O-N 3.49Å; G438-R443 PolarHBondContact O-NH2 3.43Å
439	H	93.9	Very high	95.7	Very high	66 Å²	66	48 Å²	48	31%	0.306	25%	0.251	S	S	.	.			trans	-59.6	143.6	173.1	-166	-96	0	0	0	111.3	T266 V441 N442 R443	T266-H439 PolarHBondContact O-CE1 3.2Å; T266-H439 PolarHBondContact O-NE2 3.14Å; H439-V441 PolarHBondContact ND1-N 3.48Å; H439-V441 PolarHBondContact O-N 3.23Å; H439-V441 VanDerWaalsContact O-N 3.15Å; H439-N442 WeakPolarHBondContact O-CA 3.09Å; H439-N442 WeakPolarHBondContact O-CB 2.97Å; H439-N442 PolarHBondContact O-N 3.23Å; H439-R443 PolarHBondContact O-N 2.89Å
440	P	95.4	Very high	95.6	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-51.5	-38.8	-179.7	-31.3	37	0	0	0	114.8	G262 I264 R443 T444	G262-P440 VanDerWaalsContact O-CB 3.29Å; G262-P440 WeakPolarHBondContact O-CB 3.46Å; G262-P440 WeakPolarHBondContact O-CG 3.38Å; I264-P440 HydrophobicContact CD1-CB 4Å; P440-R443 PolarHBondContact O-N 3.13Å; P440-T444 PolarHBondContact O-N 3.36Å; P440-T444 PolarHBondContact O-OG1 2.93Å
441	V	96.9	Very high	95.5	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-55.4	172.1	176.2	0	0	0	0	110.6	T40 L41 A44 I264 H439 R443 T444 I445	T40-V441 HydrophobicContact CG2-CG2 3.9Å; L41-V441 HydrophobicContact CD2-CG1 4.49Å; A44-V441 HydrophobicContact CB-CG1 3.35Å; I264-V441 HydrophobicContact CD1-CG2 4.47Å; I264-V441 HydrophobicContact CG2-CG2 4.05Å; I264-V441 WeakPolarHBondContact O-CG2 3.49Å; H439-V441 PolarHBondContact ND1-N 3.48Å; H439-V441 PolarHBondContact O-N 3.23Å; H439-V441 VanDerWaalsContact O-N 3.15Å; V441-R443 VanDerWaalsContact C-N 3.28Å; V441-R443 PolarHBondContact O-N 3.39Å; V441-T444 WeakPolarHBondContact O-CB 3.32Å; V441-T444 PolarHBondContact O-N 3.1Å; V441-I445 HydrophobicContact CG1-CG1 4.46Å; V441-I445 WeakPolarHBondContact O-CG1 3.27Å; V441-I445 PolarHBondContact O-N 3.44Å
442	N	96	Very high	95.4	Very high	74 Å²	74	44.7 Å²	44.7	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-59.2	-39.5	-178.7	-76.9	-35.2	0	0	0	112.6	R48 H439 I445 Y446	R48-N442 PolarHBondContact NH2-OD1 2.85Å; H439-N442 WeakPolarHBondContact O-CA 3.09Å; H439-N442 WeakPolarHBondContact O-CB 2.97Å; H439-N442 PolarHBondContact O-N 3.23Å; N442-I445 PolarHBondContact O-N 3.41Å; N442-Y446 WeakPolarHBondContact O-CB 3.37Å; N442-Y446 PolarHBondContact O-N 2.99Å
443	R	95.7	Very high	95.2	Very high	29 Å²	29	48 Å²	48	11%	0.109	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-40.1	175.8	-163	-177.5	-48.3	147.2	14	112.4	Y260 V261 P437 G438 H439 P440 V441 Y446 W447	Y260-R443 PolarHBondContact O-NH1 3.31Å; Y260-R443 VanDerWaalsContact O-NH1 3.15Å; V261-R443 HydrophobicContact CG1-CG 4.48Å; P437-R443 PolarHBondContact O-NE 2.93Å; P437-R443 PolarHBondContact O-NH2 3Å; G438-R443 PolarHBondContact O-NH2 3.43Å; H439-R443 PolarHBondContact O-N 2.89Å; P440-R443 PolarHBondContact O-N 3.13Å; V441-R443 VanDerWaalsContact C-N 3.28Å; V441-R443 PolarHBondContact O-N 3.39Å; R443-Y446 WeakPolarHBondContact O-CB 3.4Å; R443-Y446 PolarHBondContact O-N 3.25Å; R443-W447 PolarHBondContact O-N 2.92Å; R443-W447 VanDerWaalsContact O-N 3.12Å
444	T	97.1	Very high	95.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-50.1	175.9	-58.1	0	0	0	0	110.7	L41 F158 M241 V261 I264 P440 V441 Y446 W447 I448	L41-T444 HydrophobicContact CD1-CG2 4.08Å; L41-T444 HydrophobicContact CD2-CG2 3.7Å; F158-T444 HydrophobicContact CD2-CG2 3.89Å; F158-T444 HydrophobicContact CE2-CG2 3.62Å; M241-T444 HydrophobicContact SD-CG2 3.89Å; V261-T444 VanDerWaalsContact CB-OG1 3.31Å; V261-T444 WeakPolarHBondContact CB-OG1 2.99Å; I264-T444 WeakPolarHBondContact CD1-OG1 3.4Å; P440-T444 PolarHBondContact O-N 3.36Å; P440-T444 PolarHBondContact O-OG1 2.93Å; V441-T444 WeakPolarHBondContact O-CB 3.32Å; V441-T444 PolarHBondContact O-N 3.1Å; T444-Y446 VanDerWaalsContact C-N 3.32Å; T444-Y446 PolarHBondContact O-N 3.32Å; T444-W447 PolarHBondContact O-N 3.39Å; T444-W447 VanDerWaalsContact O-N 3.15Å; T444-I448 HydrophobicContact CG2-CD1 4.02Å; T444-I448 WeakPolarHBondContact O-CG1 3.49Å; T444-I448 PolarHBondContact O-N 2.84Å
445	I	96.8	Very high	94.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-39.4	178.7	-51.9	-64.3	0	0	0	111	A44 L45 R48 V441 N442 W447 I448 D449	A44-I445 HydrophobicContact CB-CD1 3.96Å; A44-I445 HydrophobicContact CB-CG1 3.96Å; L45-I445 HydrophobicContact CB-CD1 4.32Å; L45-I445 HydrophobicContact CD2-CD1 3.49Å; L45-I445 VanDerWaalsContact CD2-CD1 3.49Å; L45-I445 HydrophobicContact CD2-CG2 4.1Å; L45-I445 HydrophobicContact CG-CD1 3.44Å; L45-I445 VanDerWaalsContact CG-CD1 3.44Å; R48-I445 HydrophobicContact CG-CG2 4.12Å; V441-I445 HydrophobicContact CG1-CG1 4.46Å; V441-I445 WeakPolarHBondContact O-CG1 3.27Å; V441-I445 PolarHBondContact O-N 3.44Å; N442-I445 PolarHBondContact O-N 3.41Å; I445-W447 VanDerWaalsContact C-N 3.25Å; I445-W447 PolarHBondContact O-N 2.96Å; I445-I448 HydrophobicContact CD1-CD1 4.45Å; I445-I448 WeakPolarHBondContact O-CB 3.5Å; I445-I448 PolarHBondContact O-N 3.31Å; I445-I448 VanDerWaalsContact O-N 3.12Å; I445-D449 VanDerWaalsContact O-CG 3.25Å; I445-D449 PolarHBondContact O-N 2.6Å
446	Y	96.1	Very high	94.7	Very high	112 Å²	112	46.2 Å²	46.2	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-53.6	-44.7	173.9	166.9	-91.5	0	0	0	111.8	N442 R443 T444 D449 Y450	N442-Y446 WeakPolarHBondContact O-CB 3.37Å; N442-Y446 PolarHBondContact O-N 2.99Å; R443-Y446 WeakPolarHBondContact O-CB 3.4Å; R443-Y446 PolarHBondContact O-N 3.25Å; T444-Y446 VanDerWaalsContact C-N 3.32Å; T444-Y446 PolarHBondContact O-N 3.32Å; Y446-D449 PolarHBondContact O-N 2.89Å; Y446-Y450 HydrophobicContact CE1-CD2 4.44Å; Y446-Y450 VanDerWaalsContact O-CB 3.29Å; Y446-Y450 WeakPolarHBondContact O-CB 3.46Å; Y446-Y450 PolarHBondContact O-N 3.24Å
447	W	96.9	Very high	94.7	Very high	47 Å²	47	44.7 Å²	44.7	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-70.1	-36.3	177.7	-76.9	118.8	0	0	0	113.1	L239 M241 V259 R443 T444 I445 Y450 I451 L460	L239-W447 HydrophobicContact CD1-CE3 4.34Å; L239-W447 HydrophobicContact CD2-CB 3.62Å; L239-W447 HydrophobicContact CD2-CD2 3.87Å; L239-W447 HydrophobicContact CD2-CE3 3.77Å; L239-W447 HydrophobicContact CD2-CG 3.83Å; M241-W447 HydrophobicContact SD-CB 4.14Å; V259-W447 HydrophobicContact CB-CZ2 4.47Å; V259-W447 HydrophobicContact CG1-CD2 4.09Å; V259-W447 HydrophobicContact CG1-CH2 4.13Å; V259-W447 HydrophobicContact CG1-CZ2 3.6Å; V259-W447 HydrophobicContact CG2-CD2 4.35Å; V259-W447 HydrophobicContact CG2-CG 4.07Å; R443-W447 PolarHBondContact O-N 2.92Å; R443-W447 VanDerWaalsContact O-N 3.12Å; T444-W447 PolarHBondContact O-N 3.39Å; T444-W447 VanDerWaalsContact O-N 3.15Å; I445-W447 VanDerWaalsContact C-N 3.25Å; I445-W447 PolarHBondContact O-N 2.96Å; W447-Y450 HydrophobicContact CE3-CD1 4.24Å; W447-Y450 HydrophobicContact CE3-CG 4.17Å; W447-Y450 HydrophobicContact CZ3-CD1 4.17Å; W447-Y450 HydrophobicContact CZ3-CE1 4.41Å; W447-Y450 HydrophobicContact CZ3-CG 4.26Å; W447-Y450 WeakPolarHBondContact O-CB 3.32Å; W447-Y450 PolarHBondContact O-N 3.5Å; W447-I451 VanDerWaalsContact O-CG1 3.27Å; W447-I451 WeakPolarHBondContact O-CG1 3.5Å; W447-I451 PolarHBondContact O-N 3.01Å; W447-L460 HydrophobicContact CZ3-CD1 3.91Å
448	I	97.3	Very high	94.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-49.9	171.9	-70.5	168.4	0	0	0	110.2	I23 L45 L134 L136 M241 T444 I445 Y450 I451 I452	I23-I448 HydrophobicContact CD1-CG2 3.8Å; L45-I448 HydrophobicContact CD1-CD1 4.47Å; L45-I448 HydrophobicContact CD2-CD1 4.23Å; L45-I448 HydrophobicContact CD2-CG2 3.98Å; L134-I448 HydrophobicContact CD2-CG2 3.81Å; L136-I448 HydrophobicContact CD1-CD1 3.9Å; L136-I448 HydrophobicContact CD2-CD1 4.36Å; L136-I448 HydrophobicContact CD2-CG1 4.31Å; M241-I448 HydrophobicContact CE-CG1 4.23Å; M241-I448 HydrophobicContact SD-CG1 4.21Å; T444-I448 HydrophobicContact CG2-CD1 4.02Å; T444-I448 WeakPolarHBondContact O-CG1 3.49Å; T444-I448 PolarHBondContact O-N 2.84Å; I445-I448 HydrophobicContact CD1-CD1 4.45Å; I445-I448 WeakPolarHBondContact O-CB 3.5Å; I445-I448 PolarHBondContact O-N 3.31Å; I445-I448 VanDerWaalsContact O-N 3.12Å; I448-Y450 VanDerWaalsContact C-N 3.26Å; I448-Y450 PolarHBondContact O-N 3.07Å; I448-I451 PolarHBondContact O-N 3.13Å; I448-I452 HydrophobicContact CG2-CD1 3.78Å; I448-I452 WeakPolarHBondContact O-CG1 3.44Å; I448-I452 PolarHBondContact O-N 2.64Å
449	D	96.3	Very high	95	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.112	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-36.8	177.3	-63.1	-10.7	0	0	0	111.3	H50 I445 Y446 I451 I452 R453	H50-D449 IonicContact CD2-OD1 3.42Å; H50-D449 IonicContact CE1-OD1 2.84Å; H50-D449 IonicContact NE2-OD1 2.69Å; H50-D449 PolarHBondContact NE2-OD1 2.82Å; I445-D449 VanDerWaalsContact O-CG 3.25Å; I445-D449 PolarHBondContact O-N 2.6Å; Y446-D449 PolarHBondContact O-N 2.89Å; D449-I451 VanDerWaalsContact C-N 3.35Å; D449-I451 PolarHBondContact O-N 3.44Å; D449-I452 PolarHBondContact O-N 2.92Å; D449-R453 WeakPolarHBondContact O-CB 3.29Å; D449-R453 VanDerWaalsContact O-CG 3.26Å; D449-R453 WeakPolarHBondContact O-CG 3.31Å; D449-R453 PolarHBondContact O-N 2.99Å
450	Y	96.1	Very high	95	Very high	39 Å²	39	46.2 Å²	46.2	15%	0.153	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-48.1	175.7	-170	-86.9	0	0	0	111	Y446 W447 I448 I452 R453 H454 A457 H459 L460	Y446-Y450 HydrophobicContact CE1-CD2 4.44Å; Y446-Y450 VanDerWaalsContact O-CB 3.29Å; Y446-Y450 WeakPolarHBondContact O-CB 3.46Å; Y446-Y450 PolarHBondContact O-N 3.24Å; W447-Y450 HydrophobicContact CE3-CD1 4.24Å; W447-Y450 HydrophobicContact CE3-CG 4.17Å; W447-Y450 HydrophobicContact CZ3-CD1 4.17Å; W447-Y450 HydrophobicContact CZ3-CE1 4.41Å; W447-Y450 HydrophobicContact CZ3-CG 4.26Å; W447-Y450 WeakPolarHBondContact O-CB 3.32Å; W447-Y450 PolarHBondContact O-N 3.5Å; I448-Y450 VanDerWaalsContact C-N 3.26Å; I448-Y450 PolarHBondContact O-N 3.07Å; Y450-I452 VanDerWaalsContact C-N 3.32Å; Y450-I452 PolarHBondContact O-N 3.44Å; Y450-R453 PolarHBondContact O-N 3.21Å; Y450-H454 AromaticContact CD1-CD2 3.78Å; Y450-H454 AromaticContact CD2-CD2 3.76Å; Y450-H454 AromaticContact CD2-NE2 3.92Å; Y450-H454 AromaticContact CE1-CD2 3.67Å; Y450-H454 AromaticContact CE2-CD2 3.63Å; Y450-H454 AromaticContact CE2-NE2 3.6Å; Y450-H454 AromaticContact CG-CD2 3.82Å; Y450-H454 AromaticContact CZ-CD2 3.58Å; Y450-H454 AromaticContact CZ-NE2 3.89Å; Y450-H454 WeakPolarHBondContact O-CB 3.41Å; Y450-H454 PolarHBondContact O-CD2 2.89Å; Y450-H454 PolarHBondContact O-N 3.35Å; Y450-A457 HydrophobicContact CE1-CB 4.44Å; Y450-H459 AromaticContact CE1-CE1 3.72Å; Y450-H459 AromaticContact CE1-NE2 3.62Å; Y450-H459 AromaticContact CZ-NE2 3.58Å; Y450-H459 PolarHBondContact OH-NE2 3.2Å; Y450-L460 HydrophobicContact CE1-CD1 4Å
451	I	96.3	Very high	94.7	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-41.5	177.5	-64.2	165.3	0	0	0	110.6	L134 A156 L239 W447 I448 D449 N455 G456	L134-I451 HydrophobicContact CD1-CG2 3.77Å; A156-I451 HydrophobicContact CB-CD1 3.52Å; L239-I451 HydrophobicContact CB-CD1 3.51Å; L239-I451 HydrophobicContact CB-CG1 4.24Å; L239-I451 HydrophobicContact CD2-CD1 4.01Å; L239-I451 HydrophobicContact CG-CD1 4.39Å; W447-I451 VanDerWaalsContact O-CG1 3.27Å; W447-I451 WeakPolarHBondContact O-CG1 3.5Å; W447-I451 PolarHBondContact O-N 3.01Å; I448-I451 PolarHBondContact O-N 3.13Å; D449-I451 VanDerWaalsContact C-N 3.35Å; D449-I451 PolarHBondContact O-N 3.44Å; I451-N455 WeakPolarHBondContact O-CA 3.12Å; I451-N455 PolarHBondContact O-N 3.08Å; I451-G456 PolarHBondContact O-N 2.92Å
452	I	95.4	Very high	94.3	Very high	17 Å²	17	49.9 Å²	49.9	9%	0.087	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-45.8	178.6	-67.3	160.4	0	0	0	111	K19 A21 I23 L134 I448 D449 Y450 H454 N455	K19-I452 HydrophobicContact CD-CG2 4.26Å; A21-I452 HydrophobicContact CB-CD1 3.6Å; A21-I452 HydrophobicContact CB-CG1 4.25Å; A21-I452 HydrophobicContact CB-CG2 4.19Å; I23-I452 HydrophobicContact CD1-CD1 4.22Å; L134-I452 HydrophobicContact CD2-CG1 4.44Å; I448-I452 HydrophobicContact CG2-CD1 3.78Å; I448-I452 WeakPolarHBondContact O-CG1 3.44Å; I448-I452 PolarHBondContact O-N 2.64Å; D449-I452 PolarHBondContact O-N 2.92Å; Y450-I452 VanDerWaalsContact C-N 3.32Å; Y450-I452 PolarHBondContact O-N 3.44Å; I452-H454 PolarHBondContact O-N 3.38Å; I452-N455 PolarHBondContact O-N 3.38Å
453	R	94.6	Very high	93.9	Very high	136 Å²	136	49.3 Å²	49.3	51%	0.513	23%	0.234	S	C	.	.	H	α-helix	trans	-63.9	-39.4	-179.7	-76.5	-173.4	-63.9	-108.5	-2.5	112.5	D449 Y450	D449-R453 WeakPolarHBondContact O-CB 3.29Å; D449-R453 VanDerWaalsContact O-CG 3.26Å; D449-R453 WeakPolarHBondContact O-CG 3.31Å; D449-R453 PolarHBondContact O-N 2.99Å; Y450-R453 PolarHBondContact O-N 3.21Å
454	H	94.2	Very high	93.4	Very high	97 Å²	97	49.6 Å²	49.6	45%	0.449	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	10.7	-176.5	-62.5	-65.8	0	0	0	113.3	Y450 I452 G456	Y450-H454 AromaticContact CD1-CD2 3.78Å; Y450-H454 AromaticContact CD2-CD2 3.76Å; Y450-H454 AromaticContact CD2-NE2 3.92Å; Y450-H454 AromaticContact CE1-CD2 3.67Å; Y450-H454 AromaticContact CE2-CD2 3.63Å; Y450-H454 AromaticContact CE2-NE2 3.6Å; Y450-H454 AromaticContact CG-CD2 3.82Å; Y450-H454 AromaticContact CZ-CD2 3.58Å; Y450-H454 AromaticContact CZ-NE2 3.89Å; Y450-H454 WeakPolarHBondContact O-CB 3.41Å; Y450-H454 PolarHBondContact O-CD2 2.89Å; Y450-H454 PolarHBondContact O-N 3.35Å; I452-H454 PolarHBondContact O-N 3.38Å; H454-G456 VanDerWaalsContact C-N 3.31Å; H454-G456 CarbonylContact C-O 3.54Å; H454-G456 WeakPolarHBondContact CB-O 3.24Å; H454-G456 PolarHBondContact O-N 2.9Å
455	N	91.2	Very high	92.7	Very high	111 Å²	111	51.6 Å²	51.6	59%	0.594	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	50.7	178.6	-164.6	30.3	0	0	0	110.8	K154 I451 I452	K154-N455 PolarHBondContact NZ-ND2 3.05Å; K154-N455 VanDerWaalsContact NZ-ND2 3.12Å; K154-N455 PolarHBondContact NZ-O 3.3Å; K154-N455 PolarHBondContact NZ-OD1 3.4Å; I451-N455 WeakPolarHBondContact O-CA 3.12Å; I451-N455 PolarHBondContact O-N 3.08Å; I452-N455 PolarHBondContact O-N 3.38Å
456	G	90.4	Very high	92.2	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.01	29%	0.287	C	S	.	.	S	Bend	trans	109.9	-162.9	-165.9	0	0	0	0	0	111.8	I451 H454	I451-G456 PolarHBondContact O-N 2.92Å; H454-G456 VanDerWaalsContact C-N 3.31Å; H454-G456 CarbonylContact C-O 3.54Å; H454-G456 WeakPolarHBondContact CB-O 3.24Å; H454-G456 PolarHBondContact O-N 2.9Å
457	A	92.8	Very high	91.8	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	28%	0.283	C	S	.	.			trans	-146.8	47.4	173.6	0	0	0	0	0	110.8	Y450 H459 L460	Y450-A457 HydrophobicContact CE1-CB 4.44Å; A457-H459 PolarHBondContact O-N 2.98Å; A457-L460 HydrophobicContact CB-CB 4.43Å; A457-L460 HydrophobicContact CB-CD1 4.05Å; A457-L460 HydrophobicContact CB-CG 4.31Å; A457-L460 PolarHBondContact O-N 2.88Å
458	H	91.5	Very high	91.4	Very high	122 Å²	122	58.3 Å²	58.3	57%	0.565	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-59	-33.6	-172.4	-65.5	-74.1	0	0	0	113.3	L460 R461	H458-L460 PolarHBondContact O-N 3.05Å; H458-R461 VanDerWaalsContact O-CB 3.32Å; H458-R461 WeakPolarHBondContact O-CB 3.36Å; H458-R461 PolarHBondContact O-N 2.95Å; H458-R461 VanDerWaalsContact O-N 3.13Å
459	H	93.6	Very high	90.9	Very high	112 Å²	112	65 Å²	65	52%	0.519	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-70.6	-14.9	177.2	59.9	-76.1	0	0	0	114.2	Y450 A457 R461	Y450-H459 AromaticContact CE1-CE1 3.72Å; Y450-H459 AromaticContact CE1-NE2 3.62Å; Y450-H459 AromaticContact CZ-NE2 3.58Å; Y450-H459 PolarHBondContact OH-NE2 3.2Å; A457-H459 PolarHBondContact O-N 2.98Å; H459-R461 VanDerWaalsContact C-N 3.35Å
460	L	93.6	Very high	90.7	Very high	26 Å²	26	67 Å²	67	14%	0.136	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-87.7	-7	172.1	-60.1	-176.6	0	0	0	112.5	L239 P256 N257 W447 Y450 A457 H458	L239-L460 HydrophobicContact CD1-CD1 4.03Å; P256-L460 HydrophobicContact CB-CB 4.26Å; P256-L460 HydrophobicContact CB-CD2 4.12Å; N257-L460 HydrophobicContact CB-CB 3.9Å; N257-L460 PolarHBondContact N-O 2.76Å; W447-L460 HydrophobicContact CZ3-CD1 3.91Å; Y450-L460 HydrophobicContact CE1-CD1 4Å; A457-L460 HydrophobicContact CB-CB 4.43Å; A457-L460 HydrophobicContact CB-CD1 4.05Å; A457-L460 HydrophobicContact CB-CG 4.31Å; A457-L460 PolarHBondContact O-N 2.88Å; H458-L460 PolarHBondContact O-N 3.05Å
461	R	89.6	Confident	90.5	Very high	70 Å²	70	69.5 Å²	69.5	26%	0.264	35%	0.35	S	S	.	.	S	Bend	trans	-79.4	126	179.3	-62.6	-176.5	63.7	133.5	4.8	109.9	H235 G236 H458 H459	H235-R461 VanDerWaalsContact O-CZ 3.22Å; H235-R461 PolarHBondContact O-NH1 3.3Å; H235-R461 PolarHBondContact O-NH2 3.29Å; G236-R461 PolarHBondContact O-NH1 3Å; H458-R461 VanDerWaalsContact O-CB 3.32Å; H458-R461 WeakPolarHBondContact O-CB 3.36Å; H458-R461 PolarHBondContact O-N 2.95Å; H458-R461 VanDerWaalsContact O-N 3.13Å; H459-R461 VanDerWaalsContact C-N 3.35Å
462	A	88.1	Confident	90.2	Very high	30 Å²	30	75 Å²	75	25%	0.248	37%	0.372	C	S	.	.			trans	-75.3	153.8	177.9	0	0	0	0	0	112.2	L255 V464 H465	L255-A462 HydrophobicContact CD2-CB 3.78Å; A462-V464 HydrophobicContact CB-CG1 3.88Å; A462-V464 PolarHBondContact O-N 3.39Å; A462-H465 PolarHBondContact O-CD2 3.36Å; A462-H465 PolarHBondContact O-N 3.18Å
463	A	89	Confident	90	Very high	62 Å²	62	79.6 Å²	79.6	51%	0.512	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-61.6	-14.3	176.5	0	0	0	0	0	113.5	H465 Q466 I467	A463-H465 PolarHBondContact O-N 3.42Å; A463-Q466 PolarHBondContact O-N 2.94Å; A463-I467 PolarHBondContact O-N 2.96Å
464	V	85.3	Confident	90.1	Very high	34 Å²	34	78.4 Å²	78.4	21%	0.206	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-51.8	-28.8	173.9	70.2	0	0	0	0	112.9	L255 A462 Q466 Y472	L255-V464 HydrophobicContact CD1-CG1 4.37Å; A462-V464 HydrophobicContact CB-CG1 3.88Å; A462-V464 PolarHBondContact O-N 3.39Å; V464-Q466 VanDerWaalsContact C-N 3.28Å; V464-Q466 PolarHBondContact O-N 3.32Å; V464-Y472 HydrophobicContact CG2-CD2 3.73Å; V464-Y472 HydrophobicContact CG2-CE2 3.55Å
465	H	81.5	Confident	90.2	Very high	42 Å²	42	77.6 Å²	77.6	19%	0.194	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-80	-6.2	178.5	-53.8	-72.5	0	0	0	114.3	V168 H235 A462 A463	V168-H465 PolarHBondContact O-CE1 3.22Å; V168-H465 PolarHBondContact O-ND1 2.03Å; H235-H465 AromaticContact ND1-ND1 3.53Å; A462-H465 PolarHBondContact O-CD2 3.36Å; A462-H465 PolarHBondContact O-N 3.18Å; A463-H465 PolarHBondContact O-N 3.42Å
466	Q	85.9	Confident	90.4	Very high	174 Å²	174	75.3 Å²	75.3	81%	0.813	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-7.8	-175	-63.5	179.2	-4.9	0	0	113	A463 V464	A463-Q466 PolarHBondContact O-N 2.94Å; V464-Q466 VanDerWaalsContact C-N 3.28Å; V464-Q466 PolarHBondContact O-N 3.32Å
467	I	89.1	Confident	90.7	Very high	71 Å²	71	79.5 Å²	79.5	36%	0.364	40%	0.402	S	S	.	.	S	Bend	trans	-101.6	151.8	-178.2	62.6	177	0	0	0	111.4	A463 Q471 Y472	A463-I467 PolarHBondContact O-N 2.96Å; I467-Q471 HydrophobicContact CB-CB 4.21Å; I467-Y472 HydrophobicContact CD1-CD2 4.12Å
468	S	88.7	Confident	90.9	Very high	55 Å²	55	81.4 Å²	81.4	39%	0.385	42%	0.418	S	S	.	.			trans	-75.2	162.1	177.1	66	0	0	0	0	112.3	C470 Q471 Y472	S468-C470 VanDerWaalsContact C-N 3.25Å; S468-C470 PolarHBondContact O-N 3.47Å; S468-Q471 PolarHBondContact O-N 2.91Å; S468-Q471 WeakPolarHBondContact OG-CG 3.36Å; S468-Q471 PolarHBondContact OG-N 3.46Å; S468-Q471 PolarHBondContact OG-OE1 2.91Å; S468-Y472 PolarHBondContact O-N 2.91Å
469	F	86.3	Confident	91.1	Very high	142 Å²	142	81.8 Å²	81.8	62%	0.623	42%	0.418	S	S	*	.	H	α-helix	trans	-53.4	-42	173.1	178.3	-89.3	0	0	0	112.5	Q471 Y472 F473 L475	F469-Q471 PolarHBondContact O-N 3.33Å; F469-Y472 PolarHBondContact O-N 3.06Å; F469-F473 HydrophobicContact CD1-CD2 4.29Å; F469-F473 AromaticContact CD2-CD2 3.92Å; F469-F473 HydrophobicContact CD2-CD2 3.92Å; F469-F473 AromaticContact CD2-CE2 3.76Å; F469-F473 HydrophobicContact CD2-CE2 3.76Å; F469-F473 AromaticContact CE1-CD2 3.98Å; F469-F473 HydrophobicContact CE1-CD2 3.98Å; F469-F473 HydrophobicContact CE1-CE2 4.46Å; F469-F473 AromaticContact CE2-CD2 3.61Å; F469-F473 HydrophobicContact CE2-CD2 3.61Å; F469-F473 AromaticContact CE2-CE2 3.27Å; F469-F473 HydrophobicContact CE2-CE2 3.27Å; F469-F473 HydrophobicContact CE2-CZ 4.38Å; F469-F473 HydrophobicContact CG-CD2 4.26Å; F469-F473 AromaticContact CZ-CD2 3.62Å; F469-F473 HydrophobicContact CZ-CD2 3.62Å; F469-F473 AromaticContact CZ-CE2 3.67Å; F469-F473 HydrophobicContact CZ-CE2 3.67Å; F469-F473 PolarHBondContact O-N 3.11Å; F469-L475 HydrophobicContact CD1-CD1 4.23Å; F469-L475 HydrophobicContact CE1-CD1 3.86Å
470	C	91.9	Very high	91.3	Very high	63 Å²	63	81 Å²	81	43%	0.426	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-43.7	179.3	-63.9	0	0	0	0	112	S468 L474 L475	S468-C470 VanDerWaalsContact C-N 3.25Å; S468-C470 PolarHBondContact O-N 3.47Å; C470-L474 PolarHBondContact O-N 3.33Å; C470-L474 VanDerWaalsContact O-N 3.1Å; C470-L475 HydrophobicContact CB-CB 4.45Å; C470-L475 PolarHBondContact O-N 3.35Å
471	Q	92.4	Very high	91.5	Very high	91 Å²	91	85.3 Å²	85.3	43%	0.425	44%	0.443	S	S	.	.	H	α-helix	trans	-68.1	-40.6	177.6	-71.9	168.1	-47.1	0	0	111.7	I467 S468 F469 F473 L474	I467-Q471 HydrophobicContact CB-CB 4.21Å; S468-Q471 PolarHBondContact O-N 2.91Å; S468-Q471 WeakPolarHBondContact OG-CG 3.36Å; S468-Q471 PolarHBondContact OG-N 3.46Å; S468-Q471 PolarHBondContact OG-OE1 2.91Å; F469-Q471 PolarHBondContact O-N 3.33Å; Q471-F473 VanDerWaalsContact C-N 3.3Å; Q471-F473 PolarHBondContact O-N 3.08Å; Q471-L474 PolarHBondContact O-N 2.96Å; Q471-L474 VanDerWaalsContact O-N 3.11Å
472	Y	89.6	Confident	91.8	Very high	118 Å²	118	87.9 Å²	87.9	46%	0.463	46%	0.462	S	S	.	.	H	α-helix	trans	-58.6	-42	179.5	-177.9	-91.8	0	0	0	112.4	V464 I467 S468 F469	V464-Y472 HydrophobicContact CG2-CD2 3.73Å; V464-Y472 HydrophobicContact CG2-CE2 3.55Å; I467-Y472 HydrophobicContact CD1-CD2 4.12Å; S468-Y472 PolarHBondContact O-N 2.91Å; F469-Y472 PolarHBondContact O-N 3.06Å
473	F	91.1	Very high	92.3	Very high	114 Å²	114	91 Å²	91	50%	0.5	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7.5	178.1	-71.9	-71.8	0	0	0	113.9	F469 Q471 L475	F469-F473 HydrophobicContact CD1-CD2 4.29Å; F469-F473 AromaticContact CD2-CD2 3.92Å; F469-F473 HydrophobicContact CD2-CD2 3.92Å; F469-F473 AromaticContact CD2-CE2 3.76Å; F469-F473 HydrophobicContact CD2-CE2 3.76Å; F469-F473 AromaticContact CE1-CD2 3.98Å; F469-F473 HydrophobicContact CE1-CD2 3.98Å; F469-F473 HydrophobicContact CE1-CE2 4.46Å; F469-F473 AromaticContact CE2-CD2 3.61Å; F469-F473 HydrophobicContact CE2-CD2 3.61Å; F469-F473 AromaticContact CE2-CE2 3.27Å; F469-F473 HydrophobicContact CE2-CE2 3.27Å; F469-F473 HydrophobicContact CE2-CZ 4.38Å; F469-F473 HydrophobicContact CG-CD2 4.26Å; F469-F473 AromaticContact CZ-CD2 3.62Å; F469-F473 HydrophobicContact CZ-CD2 3.62Å; F469-F473 AromaticContact CZ-CE2 3.67Å; F469-F473 HydrophobicContact CZ-CE2 3.67Å; F469-F473 PolarHBondContact O-N 3.11Å; Q471-F473 VanDerWaalsContact C-N 3.3Å; Q471-F473 PolarHBondContact O-N 3.08Å; F473-L475 HydrophobicContact CB-CD1 4.28Å; F473-L475 HydrophobicContact CB-CD2 4.13Å; F473-L475 HydrophobicContact CB-CG 3.8Å; F473-L475 PolarHBondContact O-N 3.08Å
474	L	95.6	Very high	92.7	Very high	110 Å²	110	89.9 Å²	89.9	58%	0.576	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	32.1	-177.5	-56.3	175.6	0	0	0	113.5	C470 Q471 D476 I477 A478	C470-L474 PolarHBondContact O-N 3.33Å; C470-L474 VanDerWaalsContact O-N 3.1Å; Q471-L474 PolarHBondContact O-N 2.96Å; Q471-L474 VanDerWaalsContact O-N 3.11Å; L474-D476 VanDerWaalsContact C-N 3.29Å; L474-D476 WeakPolarHBondContact CA-OD1 3.41Å; L474-D476 PolarHBondContact O-N 3.11Å; L474-I477 HydrophobicContact CB-CB 4.38Å; L474-I477 HydrophobicContact CB-CG1 4.47Å; L474-I477 HydrophobicContact CD2-CG1 4.32Å; L474-I477 PolarHBondContact O-N 2.93Å; L474-A478 PolarHBondContact O-N 3.14Å
475	L	96.3	Very high	93.2	Very high	81 Å²	81	91.1 Å²	91.1	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-69.7	-30.8	-178.9	-60.3	-179.2	0	0	0	111.7	F469 C470 F473 A478 F479	F469-L475 HydrophobicContact CD1-CD1 4.23Å; F469-L475 HydrophobicContact CE1-CD1 3.86Å; C470-L475 HydrophobicContact CB-CB 4.45Å; C470-L475 PolarHBondContact O-N 3.35Å; F473-L475 HydrophobicContact CB-CD1 4.28Å; F473-L475 HydrophobicContact CB-CD2 4.13Å; F473-L475 HydrophobicContact CB-CG 3.8Å; F473-L475 PolarHBondContact O-N 3.08Å; L475-A478 PolarHBondContact O-N 3.39Å; L475-F479 VanDerWaalsContact O-CB 3.29Å; L475-F479 WeakPolarHBondContact O-CB 3.5Å; L475-F479 PolarHBondContact O-N 3.13Å
476	D	95.6	Very high	94	Very high	62 Å²	62	91.9 Å²	91.9	33%	0.332	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-45.5	171	54	-10.1	0	0	0	111.7	L474 F479 V480	L474-D476 VanDerWaalsContact C-N 3.29Å; L474-D476 WeakPolarHBondContact CA-OD1 3.41Å; L474-D476 PolarHBondContact O-N 3.11Å; D476-F479 WeakPolarHBondContact O-CB 3.23Å; D476-F479 PolarHBondContact O-N 3.12Å; D476-V480 WeakPolarHBondContact O-CG2 3.19Å; D476-V480 PolarHBondContact O-N 3.23Å
477	I	96.8	Very high	94.5	Very high	89 Å²	89	88.8 Å²	88.8	46%	0.456	48%	0.484	S	S	.	.	H	α-helix	trans	-65.8	-45.4	174.9	-57.6	-56.2	0	0	0	110.9	L474 F479 V480 L481	L474-I477 HydrophobicContact CB-CB 4.38Å; L474-I477 HydrophobicContact CB-CG1 4.47Å; L474-I477 HydrophobicContact CD2-CG1 4.32Å; L474-I477 PolarHBondContact O-N 2.93Å; I477-F479 VanDerWaalsContact C-N 3.26Å; I477-F479 PolarHBondContact O-N 2.77Å; I477-V480 PolarHBondContact O-N 3.42Å; I477-L481 HydrophobicContact CG2-CD1 4.08Å; I477-L481 HydrophobicContact CG2-CG 4.35Å; I477-L481 WeakPolarHBondContact O-CG 2.89Å; I477-L481 PolarHBondContact O-N 3.15Å
478	A	97.1	Very high	94.9	Very high	42 Å²	42	92.2 Å²	92.2	35%	0.347	50%	0.497	S	S	.	.	H	α-helix	trans	-57.6	-41.9	176.5	0	0	0	0	0	111.5	L474 L475 L481 L482	L474-A478 PolarHBondContact O-N 3.14Å; L475-A478 PolarHBondContact O-N 3.39Å; A478-L481 PolarHBondContact O-N 3.41Å; A478-L482 WeakPolarHBondContact O-CB 3.14Å; A478-L482 VanDerWaalsContact O-CG 3.27Å; A478-L482 WeakPolarHBondContact O-CG 3.32Å; A478-L482 PolarHBondContact O-N 3.39Å
479	F	96.6	Very high	95.3	Very high	129 Å²	129	97.6 Å²	97.6	57%	0.566	51%	0.51	S	S	*	.	H	α-helix	trans	-62.1	-46.1	175.7	-179.8	-105	0	0	0	112.3	L475 D476 I477 L481 L482 L483	L475-F479 VanDerWaalsContact O-CB 3.29Å; L475-F479 WeakPolarHBondContact O-CB 3.5Å; L475-F479 PolarHBondContact O-N 3.13Å; D476-F479 WeakPolarHBondContact O-CB 3.23Å; D476-F479 PolarHBondContact O-N 3.12Å; I477-F479 VanDerWaalsContact C-N 3.26Å; I477-F479 PolarHBondContact O-N 2.77Å; F479-L481 VanDerWaalsContact C-N 3.34Å; F479-L481 PolarHBondContact O-N 2.61Å; F479-L482 PolarHBondContact O-N 3.24Å; F479-L483 HydrophobicContact CD1-CD1 3.82Å; F479-L483 HydrophobicContact CD1-CG 4.48Å; F479-L483 HydrophobicContact CE1-CD1 3.29Å; F479-L483 HydrophobicContact CE1-CG 4.16Å; F479-L483 HydrophobicContact CE2-CD1 4.24Å; F479-L483 HydrophobicContact CE2-CG 4.31Å; F479-L483 HydrophobicContact CG-CD1 4.5Å; F479-L483 HydrophobicContact CZ-CD1 3.53Å; F479-L483 HydrophobicContact CZ-CD2 4.37Å; F479-L483 HydrophobicContact CZ-CG 4.07Å; F479-L483 WeakPolarHBondContact O-CB 3.47Å; F479-L483 WeakPolarHBondContact O-CG 3.46Å; F479-L483 PolarHBondContact O-N 3.14Å
480	V	97.3	Very high	95.8	Very high	95 Å²	95	96.8 Å²	96.8	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-60.4	-43	176	172.5	0	0	0	0	111.4	D476 I477 L483 G484	D476-V480 WeakPolarHBondContact O-CG2 3.19Å; D476-V480 PolarHBondContact O-N 3.23Å; I477-V480 PolarHBondContact O-N 3.42Å; V480-L483 PolarHBondContact O-N 2.6Å; V480-G484 PolarHBondContact O-N 3.39Å
481	L	97.4	Very high	96	Very high	117 Å²	117	97.8 Å²	97.8	61%	0.613	51%	0.507	S	S	*	.	H	α-helix	trans	-65	-42.8	178	-69.4	175	0	0	0	112.3	I477 A478 F479 G484 A485	I477-L481 HydrophobicContact CG2-CD1 4.08Å; I477-L481 HydrophobicContact CG2-CG 4.35Å; I477-L481 WeakPolarHBondContact O-CG 2.89Å; I477-L481 PolarHBondContact O-N 3.15Å; A478-L481 PolarHBondContact O-N 3.41Å; F479-L481 VanDerWaalsContact C-N 3.34Å; F479-L481 PolarHBondContact O-N 2.61Å; L481-G484 PolarHBondContact O-N 2.97Å; L481-A485 WeakPolarHBondContact O-CB 3.27Å; L481-A485 PolarHBondContact O-N 3.29Å
482	L	97.3	Very high	96.2	Very high	124 Å²	124	97.9 Å²	97.9	65%	0.649	51%	0.51	S	S	*	.	H	α-helix	trans	-65	-41.9	177.4	-73.4	171.2	0	0	0	111.9	A478 F479 A485 A486	A478-L482 WeakPolarHBondContact O-CB 3.14Å; A478-L482 VanDerWaalsContact O-CG 3.27Å; A478-L482 WeakPolarHBondContact O-CG 3.32Å; A478-L482 PolarHBondContact O-N 3.39Å; F479-L482 PolarHBondContact O-N 3.24Å; L482-A485 PolarHBondContact O-N 3.49Å; L482-A486 WeakPolarHBondContact O-CB 3.44Å; L482-A486 PolarHBondContact O-N 3.42Å
483	L	97.4	Very high	96.4	Very high	95 Å²	95	93.4 Å²	93.4	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-44.1	173.8	-75.3	179.6	0	0	0	111.8	F479 V480 A486 L487	F479-L483 HydrophobicContact CD1-CD1 3.82Å; F479-L483 HydrophobicContact CD1-CG 4.48Å; F479-L483 HydrophobicContact CE1-CD1 3.29Å; F479-L483 HydrophobicContact CE1-CG 4.16Å; F479-L483 HydrophobicContact CE2-CD1 4.24Å; F479-L483 HydrophobicContact CE2-CG 4.31Å; F479-L483 HydrophobicContact CG-CD1 4.5Å; F479-L483 HydrophobicContact CZ-CD1 3.53Å; F479-L483 HydrophobicContact CZ-CD2 4.37Å; F479-L483 HydrophobicContact CZ-CG 4.07Å; F479-L483 WeakPolarHBondContact O-CB 3.47Å; F479-L483 WeakPolarHBondContact O-CG 3.46Å; F479-L483 PolarHBondContact O-N 3.14Å; V480-L483 PolarHBondContact O-N 2.6Å; L483-A486 PolarHBondContact O-N 2.91Å; L483-L487 WeakPolarHBondContact O-CB 3.37Å; L483-L487 PolarHBondContact O-N 2.94Å
484	G	97.5	Very high	96.6	Very high	39 Å²	39	94.9 Å²	94.9	40%	0.402	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-44.4	176	0	0	0	0	0	112.4	V480 L481 L487 F488	V480-G484 PolarHBondContact O-N 3.39Å; L481-G484 PolarHBondContact O-N 2.97Å; G484-L487 PolarHBondContact O-N 3.29Å; G484-F488 WeakPolarHBondContact O-CB 3.45Å; G484-F488 PolarHBondContact O-N 3.34Å
485	A	97.1	Very high	96.5	Very high	60 Å²	60	92.6 Å²	92.6	50%	0.496	49%	0.489	S	S	.	.	H	α-helix	trans	-63.7	-41.8	176	0	0	0	0	0	112.2	L481 L482 F488 Y489	L481-A485 WeakPolarHBondContact O-CB 3.27Å; L481-A485 PolarHBondContact O-N 3.29Å; L482-A485 PolarHBondContact O-N 3.49Å; A485-F488 PolarHBondContact O-N 3.35Å; A485-Y489 WeakPolarHBondContact O-CB 3.49Å; A485-Y489 PolarHBondContact O-N 2.87Å
486	A	97.1	Very high	96.4	Very high	58 Å²	58	92.2 Å²	92.2	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-63.9	-42.6	176.1	0	0	0	0	0	112	L482 L483 Y489 F490	L482-A486 WeakPolarHBondContact O-CB 3.44Å; L482-A486 PolarHBondContact O-N 3.42Å; L483-A486 PolarHBondContact O-N 2.91Å; A486-Y489 PolarHBondContact O-N 2.97Å; A486-F490 WeakPolarHBondContact O-CB 3.47Å; A486-F490 PolarHBondContact O-N 3.46Å
487	L	97.1	Very high	96.2	Very high	109 Å²	109	95.6 Å²	95.6	57%	0.571	50%	0.502	S	S	*	.	H	α-helix	trans	-63.7	-45	175.4	-170.7	80.6	0	0	0	111.3	L483 G484 F490 L491	L483-L487 WeakPolarHBondContact O-CB 3.37Å; L483-L487 PolarHBondContact O-N 2.94Å; G484-L487 PolarHBondContact O-N 3.29Å; L487-F490 WeakPolarHBondContact O-CB 3.29Å; L487-F490 PolarHBondContact O-N 3.03Å; L487-L491 HydrophobicContact CG-CD1 4.27Å; L487-L491 WeakPolarHBondContact O-CB 3.49Å; L487-L491 WeakPolarHBondContact O-CG 3.49Å; L487-L491 PolarHBondContact O-N 2.88Å
488	F	96.8	Very high	96	Very high	143 Å²	143	96.4 Å²	96.4	63%	0.627	50%	0.502	S	S	*	.	H	α-helix	trans	-60.7	-46	177	-179.5	-101.8	0	0	0	111.7	G484 A485 F490 L491 L492	G484-F488 WeakPolarHBondContact O-CB 3.45Å; G484-F488 PolarHBondContact O-N 3.34Å; A485-F488 PolarHBondContact O-N 3.35Å; F488-F490 PolarHBondContact O-N 2.82Å; F488-L491 PolarHBondContact O-N 3.09Å; F488-L492 WeakPolarHBondContact O-CB 3.31Å; F488-L492 PolarHBondContact O-N 2.93Å
489	Y	97.1	Very high	95.7	Very high	169 Å²	169	98.6 Å²	98.6	66%	0.663	51%	0.507	S	S	*	.	H	α-helix	trans	-60.8	-43.5	174.4	177.4	-98.8	0	0	0	111.9	A485 A486 L492 S493	A485-Y489 WeakPolarHBondContact O-CB 3.49Å; A485-Y489 PolarHBondContact O-N 2.87Å; A486-Y489 PolarHBondContact O-N 2.97Å; Y489-L492 PolarHBondContact O-N 3.38Å; Y489-S493 VanDerWaalsContact O-CB 3.32Å; Y489-S493 WeakPolarHBondContact O-CB 3.41Å; Y489-S493 PolarHBondContact O-N 3.05Å
490	F	96.8	Very high	95.5	Very high	125 Å²	125	100 Å²	100	55%	0.548	51%	0.509	S	S	.	.	H	α-helix	trans	-59.6	-49.5	176.4	176.1	-97.9	0	0	0	111.4	A486 L487 F488 L492 S493 W494	A486-F490 WeakPolarHBondContact O-CB 3.47Å; A486-F490 PolarHBondContact O-N 3.46Å; L487-F490 WeakPolarHBondContact O-CB 3.29Å; L487-F490 PolarHBondContact O-N 3.03Å; F488-F490 PolarHBondContact O-N 2.82Å; F490-L492 PolarHBondContact O-N 2.91Å; F490-S493 PolarHBondContact O-N 2.99Å; F490-S493 PolarHBondContact O-OG 3.21Å; F490-W494 WeakPolarHBondContact O-CB 3.34Å; F490-W494 PolarHBondContact O-N 2.98Å
491	L	96.3	Very high	95.1	Very high	84 Å²	84	104.7 Å²	104.7	44%	0.44	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-44.9	177.4	-72.1	171.8	0	0	0	111.7	L487 F488 S493 W494 V495	L487-L491 HydrophobicContact CG-CD1 4.27Å; L487-L491 WeakPolarHBondContact O-CB 3.49Å; L487-L491 WeakPolarHBondContact O-CG 3.49Å; L487-L491 PolarHBondContact O-N 2.88Å; F488-L491 PolarHBondContact O-N 3.09Å; L491-S493 PolarHBondContact O-N 2.9Å; L491-W494 PolarHBondContact O-N 3.02Å; L491-V495 WeakPolarHBondContact O-CB 3.25Å; L491-V495 VanDerWaalsContact O-CG2 3.31Å; L491-V495 WeakPolarHBondContact O-CG2 3.32Å; L491-V495 PolarHBondContact O-N 3.17Å
492	L	95.8	Very high	94.5	Very high	92 Å²	92	105 Å²	105	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-43.6	176.4	-173.1	66.5	0	0	0	111.4	F488 Y489 F490 W494 V495 T496	F488-L492 WeakPolarHBondContact O-CB 3.31Å; F488-L492 PolarHBondContact O-N 2.93Å; Y489-L492 PolarHBondContact O-N 3.38Å; F490-L492 PolarHBondContact O-N 2.91Å; L492-W494 VanDerWaalsContact C-N 3.28Å; L492-W494 PolarHBondContact O-N 2.67Å; L492-V495 PolarHBondContact O-N 3.4Å; L492-T496 WeakPolarHBondContact O-CB 3.49Å; L492-T496 VanDerWaalsContact O-CG2 3.26Å; L492-T496 WeakPolarHBondContact O-CG2 3.36Å; L492-T496 PolarHBondContact O-N 2.79Å; L492-T496 PolarHBondContact O-OG1 3.27Å
493	S	94.5	Very high	94	Very high	24 Å²	24	103.1 Å²	103.1	17%	0.168	50%	0.503	C	S	.	.	H	α-helix	trans	-64	-34.6	175.8	84.8	0	0	0	0	112.1	Y489 F490 L491 T496 K497	Y489-S493 VanDerWaalsContact O-CB 3.32Å; Y489-S493 WeakPolarHBondContact O-CB 3.41Å; Y489-S493 PolarHBondContact O-N 3.05Å; F490-S493 PolarHBondContact O-N 2.99Å; F490-S493 PolarHBondContact O-OG 3.21Å; L491-S493 PolarHBondContact O-N 2.9Å; S493-T496 VanDerWaalsContact CA-OG1 3.3Å; S493-T496 WeakPolarHBondContact CA-OG1 3.42Å; S493-T496 PolarHBondContact O-OG1 3.34Å; S493-K497 VanDerWaalsContact O-CB 3.27Å; S493-K497 WeakPolarHBondContact O-CB 3.48Å; S493-K497 WeakPolarHBondContact O-CD 3.27Å; S493-K497 WeakPolarHBondContact O-CG 3.39Å; S493-K497 PolarHBondContact O-N 3.3Å
494	W	94.6	Very high	93.3	Very high	145 Å²	145	105 Å²	105	55%	0.549	51%	0.507	S	S	.	.	H	α-helix	trans	-72.6	-46.2	178.3	-178.1	83	0	0	0	111.1	F490 L491 L492 K497 F498	F490-W494 WeakPolarHBondContact O-CB 3.34Å; F490-W494 PolarHBondContact O-N 2.98Å; L491-W494 PolarHBondContact O-N 3.02Å; L492-W494 VanDerWaalsContact C-N 3.28Å; L492-W494 PolarHBondContact O-N 2.67Å; W494-K497 PolarHBondContact O-N 3.03Å; W494-F498 VanDerWaalsContact O-CB 3.28Å; W494-F498 WeakPolarHBondContact O-CB 3.43Å; W494-F498 PolarHBondContact O-N 3.14Å
495	V	94.3	Very high	92.3	Very high	63 Å²	63	106.3 Å²	106.3	38%	0.382	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-46.8	175.4	171	0	0	0	0	110.9	L491 L492 K497 F498 I499	L491-V495 WeakPolarHBondContact O-CB 3.25Å; L491-V495 VanDerWaalsContact O-CG2 3.31Å; L491-V495 WeakPolarHBondContact O-CG2 3.32Å; L491-V495 PolarHBondContact O-N 3.17Å; L492-V495 PolarHBondContact O-N 3.4Å; V495-K497 PolarHBondContact O-N 3.45Å; V495-F498 WeakPolarHBondContact O-CB 3.49Å; V495-F498 PolarHBondContact O-N 3.15Å; V495-F498 VanDerWaalsContact O-N 3.14Å; V495-I499 HydrophobicContact CG1-CD1 3.7Å; V495-I499 HydrophobicContact CG1-CG1 4.29Å; V495-I499 WeakPolarHBondContact O-CB 3.33Å; V495-I499 VanDerWaalsContact O-CG1 3.31Å; V495-I499 WeakPolarHBondContact O-CG1 3.48Å; V495-I499 PolarHBondContact O-N 2.97Å
496	T	93.5	Very high	91.2	Very high	72 Å²	72	108.6 Å²	108.6	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-43.5	177.2	50	0	0	0	0	112	L492 S493 F498 I499 Y500	L492-T496 WeakPolarHBondContact O-CB 3.49Å; L492-T496 VanDerWaalsContact O-CG2 3.26Å; L492-T496 WeakPolarHBondContact O-CG2 3.36Å; L492-T496 PolarHBondContact O-N 2.79Å; L492-T496 PolarHBondContact O-OG1 3.27Å; S493-T496 VanDerWaalsContact CA-OG1 3.3Å; S493-T496 WeakPolarHBondContact CA-OG1 3.42Å; S493-T496 PolarHBondContact O-OG1 3.34Å; T496-F498 VanDerWaalsContact C-N 3.31Å; T496-F498 PolarHBondContact O-N 3.32Å; T496-I499 PolarHBondContact O-N 3.21Å; T496-Y500 VanDerWaalsContact O-CB 3.26Å; T496-Y500 WeakPolarHBondContact O-CB 3.43Å; T496-Y500 PolarHBondContact O-N 3.13Å
497	K	92.3	Very high	89.9	Confident	134 Å²	134	115 Å²	115	58%	0.583	53%	0.526	S	S	*	.	H	α-helix	trans	-61.5	-38.9	172.2	-76.7	171.8	-175.1	172.5	0	112	S493 W494 V495 R501	S493-K497 VanDerWaalsContact O-CB 3.27Å; S493-K497 WeakPolarHBondContact O-CB 3.48Å; S493-K497 WeakPolarHBondContact O-CD 3.27Å; S493-K497 WeakPolarHBondContact O-CG 3.39Å; S493-K497 PolarHBondContact O-N 3.3Å; W494-K497 PolarHBondContact O-N 3.03Å; V495-K497 PolarHBondContact O-N 3.45Å; K497-R501 WeakPolarHBondContact O-CB 3.32Å; K497-R501 VanDerWaalsContact O-CG 3.25Å; K497-R501 WeakPolarHBondContact O-CG 3.37Å; K497-R501 PolarHBondContact O-N 3.37Å
498	F	91.6	Very high	88.3	Confident	106 Å²	106	113.3 Å²	113.3	47%	0.465	52%	0.523	S	S	.	.	H	α-helix	trans	-65.9	-48.1	177.9	-178.1	-96.2	0	0	0	111.7	W494 V495 T496 R501 K502	W494-F498 VanDerWaalsContact O-CB 3.28Å; W494-F498 WeakPolarHBondContact O-CB 3.43Å; W494-F498 PolarHBondContact O-N 3.14Å; V495-F498 WeakPolarHBondContact O-CB 3.49Å; V495-F498 PolarHBondContact O-N 3.15Å; V495-F498 VanDerWaalsContact O-N 3.14Å; T496-F498 VanDerWaalsContact C-N 3.31Å; T496-F498 PolarHBondContact O-N 3.32Å; F498-R501 PolarHBondContact O-N 3.46Å; F498-K502 HydrophobicContact CE1-CG 4.19Å; F498-K502 HydrophobicContact CZ-CG 4.37Å; F498-K502 PolarHBondContact O-N 3.04Å
499	I	91.9	Very high	86.5	Confident	88 Å²	88	115.9 Å²	115.9	45%	0.451	53%	0.528	S	S	.	.	H	α-helix	trans	-59.4	-48.3	174.3	-67.9	169.7	0	0	0	110.1	V495 T496 R501 K502 I503	V495-I499 HydrophobicContact CG1-CD1 3.7Å; V495-I499 HydrophobicContact CG1-CG1 4.29Å; V495-I499 WeakPolarHBondContact O-CB 3.33Å; V495-I499 VanDerWaalsContact O-CG1 3.31Å; V495-I499 WeakPolarHBondContact O-CG1 3.48Å; V495-I499 PolarHBondContact O-N 2.97Å; T496-I499 PolarHBondContact O-N 3.21Å; I499-R501 VanDerWaalsContact C-N 3.35Å; I499-R501 PolarHBondContact O-N 2.84Å; I499-K502 PolarHBondContact O-N 3.38Å; I499-K502 VanDerWaalsContact O-N 3.14Å; I499-I503 HydrophobicContact CG2-CD1 3.66Å; I499-I503 HydrophobicContact CG2-CG1 4.26Å; I499-I503 WeakPolarHBondContact O-CG1 3.25Å; I499-I503 PolarHBondContact O-N 2.92Å
500	Y	91.4	Very high	84.5	Confident	157 Å²	157	113.4 Å²	113.4	62%	0.616	53%	0.526	S	S	*	.	H	α-helix	trans	-58.2	-44.4	177.4	178.2	-104.6	0	0	0	112.2	T496 K502 I503 K504	T496-Y500 VanDerWaalsContact O-CB 3.26Å; T496-Y500 WeakPolarHBondContact O-CB 3.43Å; T496-Y500 PolarHBondContact O-N 3.13Å; Y500-K502 PolarHBondContact O-N 3.04Å; Y500-I503 PolarHBondContact O-N 3.15Å; Y500-K504 VanDerWaalsContact O-CB 3.32Å; Y500-K504 WeakPolarHBondContact O-CB 3.36Å; Y500-K504 PolarHBondContact O-N 2.99Å
501	R	88.5	Confident	82.4	Confident	195 Å²	195	115 Å²	115	74%	0.736	53%	0.533	S	S	*	.	H	α-helix	trans	-61.6	-41.7	175.2	-77.7	175.4	125.6	177.1	-1.4	112.2	K497 F498 I499 S505	K497-R501 WeakPolarHBondContact O-CB 3.32Å; K497-R501 VanDerWaalsContact O-CG 3.25Å; K497-R501 WeakPolarHBondContact O-CG 3.37Å; K497-R501 PolarHBondContact O-N 3.37Å; F498-R501 PolarHBondContact O-N 3.46Å; I499-R501 VanDerWaalsContact C-N 3.35Å; I499-R501 PolarHBondContact O-N 2.84Å; R501-S505 WeakPolarHBondContact O-CB 3.25Å; R501-S505 PolarHBondContact O-N 3.04Å
502	K	86.2	Confident	80.2	Confident	124 Å²	124	117.7 Å²	117.7	54%	0.539	54%	0.543	S	S	.	.	H	α-helix	trans	-65.4	-46.2	176.2	-84.1	-75.8	-172.3	174.6	0	112.2	F498 I499 Y500 S505 L506	F498-K502 HydrophobicContact CE1-CG 4.19Å; F498-K502 HydrophobicContact CZ-CG 4.37Å; F498-K502 PolarHBondContact O-N 3.04Å; I499-K502 PolarHBondContact O-N 3.38Å; I499-K502 VanDerWaalsContact O-N 3.14Å; Y500-K502 PolarHBondContact O-N 3.04Å; K502-S505 PolarHBondContact O-N 3.18Å; K502-L506 WeakPolarHBondContact O-CG 3.16Å; K502-L506 PolarHBondContact O-N 3.03Å
503	I	85.9	Confident	77.9	Confident	83 Å²	83	117.1 Å²	117.1	43%	0.426	55%	0.547	S	S	.	.	H	α-helix	trans	-60.9	-47.1	176.2	-67.4	171.7	0	0	0	110.4	I499 Y500 S505 L506 W507	I499-I503 HydrophobicContact CG2-CD1 3.66Å; I499-I503 HydrophobicContact CG2-CG1 4.26Å; I499-I503 WeakPolarHBondContact O-CG1 3.25Å; I499-I503 PolarHBondContact O-N 2.92Å; Y500-I503 PolarHBondContact O-N 3.15Å; I503-S505 VanDerWaalsContact C-N 3.31Å; I503-S505 PolarHBondContact O-N 2.91Å; I503-L506 PolarHBondContact O-N 2.97Å; I503-W507 VanDerWaalsContact O-CD1 3.27Å; I503-W507 PolarHBondContact O-N 3.45Å
504	K	82.7	Confident	75.7	Confident	135 Å²	135	121 Å²	121	59%	0.587	57%	0.57	S	S	*	*	H	α-helix	trans	-59.9	-40.4	176.7	-171.4	179	-179.3	179.9	0	112.2	Y500 W507 S508	Y500-K504 VanDerWaalsContact O-CB 3.32Å; Y500-K504 WeakPolarHBondContact O-CB 3.36Å; Y500-K504 PolarHBondContact O-N 2.99Å; K504-W507 PolarHBondContact O-N 3.33Å; K504-S508 WeakPolarHBondContact O-CB 3.28Å; K504-S508 PolarHBondContact O-N 3.39Å
505	S	77.3	Confident	73.5	Confident	67 Å²	67	119.2 Å²	119.2	47%	0.469	57%	0.574	S	S	.	*	H	α-helix	trans	-64.7	-42.3	175.5	176.3	0	0	0	0	112.2	R501 K502 I503 S508 R509	R501-S505 WeakPolarHBondContact O-CB 3.25Å; R501-S505 PolarHBondContact O-N 3.04Å; K502-S505 PolarHBondContact O-N 3.18Å; I503-S505 VanDerWaalsContact C-N 3.31Å; I503-S505 PolarHBondContact O-N 2.91Å; S505-S508 PolarHBondContact O-N 3.45Å; S505-R509 PolarHBondContact O-N 3.19Å
506	L	74.7	Confident	71	Confident	107 Å²	107	122.9 Å²	122.9	56%	0.56	59%	0.592	S	S	*	*	H	α-helix	trans	-63.6	-43.4	175.4	-73.7	165.3	0	0	0	112	K502 I503 R509 N510	K502-L506 WeakPolarHBondContact O-CG 3.16Å; K502-L506 PolarHBondContact O-N 3.03Å; I503-L506 PolarHBondContact O-N 2.97Å; L506-R509 PolarHBondContact O-N 3.28Å; L506-N510 PolarHBondContact O-N 3.29Å
507	W	69.1	Low	68.4	Low	194 Å²	194	122.4 Å²	122.4	74%	0.735	60%	0.601	S	S	*	*	H	α-helix	trans	-64.3	-39.3	175.1	-84.1	57.3	0	0	0	112.6	I503 K504 R509 N510 K511	I503-W507 VanDerWaalsContact O-CD1 3.27Å; I503-W507 PolarHBondContact O-N 3.45Å; K504-W507 PolarHBondContact O-N 3.33Å; W507-R509 VanDerWaalsContact C-N 3.3Å; W507-R509 PolarHBondContact O-N 3.25Å; W507-N510 PolarHBondContact O-N 3.43Å; W507-K511 PolarHBondContact O-N 3.28Å; W507-K511 VanDerWaalsContact O-N 3.13Å
508	S	64.2	Low	65.9	Low	73 Å²	73	124.8 Å²	124.8	51%	0.51	61%	0.614	S	S	.	*	H	α-helix	trans	-64.9	-32.2	173.3	-177.4	0	0	0	0	112.8	K504 S505 H512	K504-S508 WeakPolarHBondContact O-CB 3.28Å; K504-S508 PolarHBondContact O-N 3.39Å; S505-S508 PolarHBondContact O-N 3.45Å; S508-H512 PolarHBondContact O-N 3.28Å
509	R	58.6	Low	63.3	Low	197 Å²	197	130.8 Å²	130.8	74%	0.743	64%	0.635	S	S	*	*	H	α-helix	trans	-73.3	-40.9	177.1	-121	175.3	172.3	173.4	-3.8	111.8	S505 L506 W507 K511 H512 S513	S505-R509 PolarHBondContact O-N 3.19Å; L506-R509 PolarHBondContact O-N 3.28Å; W507-R509 VanDerWaalsContact C-N 3.3Å; W507-R509 PolarHBondContact O-N 3.25Å; R509-K511 VanDerWaalsContact C-N 3.32Å; R509-K511 PolarHBondContact O-N 2.92Å; R509-H512 PolarHBondContact O-N 3.01Å; R509-S513 PolarHBondContact O-N 3.39Å
510	N	55.3	Low	60.9	Low	117 Å²	117	134.4 Å²	134.4	63%	0.626	65%	0.65	S	S	*	*	H	α-helix	trans	-62.8	-37.2	173.6	-96.2	0.7	0	0	0	112.4	L506 W507 H512 S513 T514	L506-N510 PolarHBondContact O-N 3.29Å; W507-N510 PolarHBondContact O-N 3.43Å; N510-H512 VanDerWaalsContact C-N 3.28Å; N510-H512 PolarHBondContact O-N 3.19Å; N510-S513 PolarHBondContact O-N 2.98Å; N510-S513 VanDerWaalsContact O-N 3.12Å; N510-S513 PolarHBondContact O-OG 3.47Å; N510-T514 PolarHBondContact O-N 3.14Å; N510-T514 PolarHBondContact O-OG1 3.16Å
511	K	52.4	Low	58.4	Low	159 Å²	159	134.3 Å²	134.3	69%	0.691	66%	0.66	S	S	*	*	H	α-helix	trans	-63.1	-30.2	175.8	-130.9	179.7	-174.3	-177.2	0	113.5	W507 R509 T514 V515	W507-K511 PolarHBondContact O-N 3.28Å; W507-K511 VanDerWaalsContact O-N 3.13Å; R509-K511 VanDerWaalsContact C-N 3.32Å; R509-K511 PolarHBondContact O-N 2.92Å; K511-T514 PolarHBondContact O-OG1 3.5Å; K511-V515 VanDerWaalsContact O-CG2 3.29Å; K511-V515 WeakPolarHBondContact O-CG2 3.26Å
512	H	49.6	Very low	56.1	Low	139 Å²	139	128.2 Å²	128.2	64%	0.644	66%	0.657	S	S	*	*	H	α-helix	trans	-75	-28.9	173.7	-101.9	-69.5	0	0	0	113	S508 R509 N510 V515	S508-H512 PolarHBondContact O-N 3.28Å; R509-H512 PolarHBondContact O-N 3.01Å; N510-H512 VanDerWaalsContact C-N 3.28Å; N510-H512 PolarHBondContact O-N 3.19Å; H512-V515 PolarHBondContact O-N 3.38Å
513	S	48.5	Very low	53.8	Low	81 Å²	81	131 Å²	131	57%	0.566	68%	0.677	S	S	*	*	H	α-helix	trans	-71.6	-29.1	175.4	76.5	0	0	0	0	113.1	R509 N510 V515	R509-S513 PolarHBondContact O-N 3.39Å; N510-S513 PolarHBondContact O-N 2.98Å; N510-S513 VanDerWaalsContact O-N 3.12Å; N510-S513 PolarHBondContact O-OG 3.47Å; S513-V515 VanDerWaalsContact C-N 3.33Å; S513-V515 PolarHBondContact O-N 2.85Å
514	T	47.6	Very low	51.5	Low	106 Å²	106	134 Å²	134	65%	0.65	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-7	176.8	47.5	0	0	0	0	114.4	N510 K511	N510-T514 PolarHBondContact O-N 3.14Å; N510-T514 PolarHBondContact O-OG1 3.16Å; K511-T514 PolarHBondContact O-OG1 3.5Å
515	V	47.8	Very low	49.4	Very low	106 Å²	106	134.8 Å²	134.8	64%	0.642	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-9.4	-178.7	175.6	0	0	0	0	112.7	K511 H512 S513 G517	K511-V515 VanDerWaalsContact O-CG2 3.29Å; K511-V515 WeakPolarHBondContact O-CG2 3.26Å; H512-V515 PolarHBondContact O-N 3.38Å; S513-V515 VanDerWaalsContact C-N 3.33Å; S513-V515 PolarHBondContact O-N 2.85Å; V515-G517 PolarHBondContact O-N 2.75Å
516	N	42.4	Very low	47.4	Very low	141 Å²	141	134.9 Å²	134.9	75%	0.754	72%	0.715	S	S	*	*			trans	-88.5	37	170.8	-73.5	-9.7	0	0	0	112.7	H518	N516-H518 PolarHBondContact O-N 3.17Å
517	G	39.3	Very low	45.6	Very low	61 Å²	61	138.8 Å²	138.8	63%	0.629	73%	0.727	S	S	*	*			trans	-81.3	99.1	162.6	0	0	0	0	0	109	V515 Y519	V515-G517 PolarHBondContact O-N 2.75Å; G517-Y519 PolarHBondContact O-N 2.79Å
518	H	39.9	Very low	44.1	Very low	184 Å²	184	138.5 Å²	138.5	85%	0.852	73%	0.727	S	S	*	*			trans	-54.4	129	171.5	-87	-52.6	0	0	0	111.5	N516	N516-H518 PolarHBondContact O-N 3.17Å
519	Y	36.7	Very low	42.9	Very low	233 Å²	233	142 Å²	142	91%	0.914	73%	0.733	S	S	*	*			trans	-124.6	115.9	154.2	-99.9	-88.6	0	0	0	109.6	G517	G517-Y519 PolarHBondContact O-N 2.79Å
520	H	40.1	Very low	42.1	Very low	163 Å²	163	141.9 Å²	141.9	76%	0.755	73%	0.733	S	S	*	*			trans	-74.8	158.7	169.7	-110.6	-67	0	0	0	110.7
521	N	39.3	Very low	41.5	Very low	156 Å²	156	143.3 Å²	143.3	83%	0.834	74%	0.741	S	S	*	*			trans	89.6	112.1	171.5	-53	-18	0	0	0	112.7
522	G	40.8	Very low	40.8	Very low	66 Å²	66	139 Å²	139	68%	0.68	74%	0.741	S	S	*	*			cis	119.9	125.8	35.1	0	0	0	0	0	106.4
523	I	37.7	Very low	40.3	Very low	184 Å²	184	140.8 Å²	140.8	94%	0.944	75%	0.75	S	S	*	*			trans	107.8	126.1	176.9	-56.2	164.1	0	0	0	115
524	L	37.7	Very low	40	Very low	145 Å²	145	142.5 Å²	142.5	76%	0.759	75%	0.751	S	S	*	*			trans	-89.7	156.2	-170.4	-101.1	116.2	0	0	0	113.8
525	N	39.1	Very low	39.6	Very low	151 Å²	151	145.6 Å²	145.6	81%	0.807	76%	0.756	S	S	*	*			trans	67.1	115.6	144.8	-79.1	-16	0	0	0	119.8
526	G	35.4	Very low	39.3	Very low	69 Å²	69	148.7 Å²	148.7	71%	0.711	76%	0.763	S	S	*	*				156.7	126.5	116.6	0	0	0	0	0	116.2
527	K	36.4	Very low	39.2	Very low	189 Å²	189	149.1 Å²	149.1	82%	0.822	76%	0.76	S	S	*	*			trans	98.6	119.3	137.2	-70.2	-172.5	175.5	173.4	0	120.5
528	Y	37	Very low	39.4	Very low	188 Å²	188	154 Å²	154	74%	0.737	76%	0.764	S	S	*	*			trans	75.1	148.1	134.8	-83.1	-118.6	0	0	0	117.6
529	K	39.5	Very low	39.8	Very low	146 Å²	146	154 Å²	154	64%	0.635	76%	0.761	S	S	*	*			cis	-179.3	142.6	-23.9	-152.6	-179.5	-175.3	172	0	104
530	R	41.5	Very low	40	Very low	195 Å²	195	149.4 Å²	149.4	74%	0.736	76%	0.757	S	S	*	*			trans	72.8	117.5	147.2	-94.8	-173.4	169.3	165.2	-3.4	121.9
531	N	42.3	Very low	40.6	Very low	148 Å²	148	154.7 Å²	154.7	79%	0.791	78%	0.778	S	S	*	*				66	134.4	114.4	-68.3	9.8	0	0	0	121.9
532	G	37.8	Very low	40.6	Very low	68 Å²	68	154.6 Å²	154.6	70%	0.701	78%	0.775	S	S	*	*			trans	154.1	93.2	136.4	0	0	0	0	0	116.1
533	H	39.2	Very low	40.6	Very low	177 Å²	177	159.3 Å²	159.3	82%	0.819	78%	0.78	S	S	*	*				24.9	152.2	122.4	-81.8	-36.5	0	0	0	120.5
534	I	42	Very low	40.8	Very low	117 Å²	117	157.9 Å²	157.9	60%	0.6	77%	0.771	S	S	*	*			cis	-178.8	156.6	-8.2	-124.7	176.7	0	0	0	106.6
535	K	40.6	Very low	41	Very low	171 Å²	171	158.6 Å²	158.6	74%	0.743	77%	0.772	S	S	*	*			trans	54.3	134.8	153.1	-77.1	174.3	-177.7	179.6	0	121.9
536	H	40.2	Very low	41.1	Very low	171 Å²	171	159.1 Å²	159.1	79%	0.792	77%	0.77	S	S	*	*				-165.4	135	93.3	-111.8	-77	0	0	0	115.1
537	E	41.4	Very low	41.5	Very low	149 Å²	149	165.1 Å²	165.1	70%	0.696	77%	0.774	S	S	*	*			trans	-49.8	160.3	154.1	-78.8	178.3	153.9	0	0	112.4
538	K	43.8	Very low	41.8	Very low	164 Å²	164	163.4 Å²	163.4	71%	0.713	77%	0.77	S	S	*	*				-179.6	146.4	58	-138	160.3	-161.1	177.9	0	110.8
539	K	46.6	Very low	42.2	Very low	183 Å²	183	161.5 Å²	161.5	80%	0.796	77%	0.773	S	S	*	*			trans	31	142.9	142.6	-67.6	-178.7	176	179.9	0	119.5
540	V	42.6	Very low	42.4	Very low	137 Å²	137	162.8 Å²	162.8	83%	0.83	78%	0.784	S	S	*	*				-166.1	154.3	79.8	159.5	0	0	0	0	109.8
541	K	51.4	Low	42.5	Very low	274 Å²	274	159.9 Å²	159.9	100%	1.191	79%	0.789	S	S	*	*			trans	-62.3	0	174.4	-88.9	-178	170.7	-177	0	113.7

Retrieved 541 of 541 residues in 592 ms (Link to these results)

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