A0A087XLI4_POEFO Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB , UniProt , Accession A0A087XLI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.8	Very low	81.3	Confident	222 Å²	222	63.2 Å²	63.2	100%	1.094	37%	0.372	S	S	*	.				0	-38.2	0	-66.4	-174.5	-75	0	0	112.9	S3 M4	M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.48Å; M1-S3 VanDerWaalsContact O-N 3.14Å; M1-M4 PolarHBondContact O-N 3.31Å; M1-M4 VanDerWaalsContact O-N 3.07Å
2	A	51.2	Low	82.6	Confident	77 Å²	77	66.5 Å²	66.5	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-48.2	-40.8	-179.8	0	0	0	0	0	115.8	M4 A5 G6	A2-M4 VanDerWaalsContact C-N 3.29Å; A2-M4 PolarHBondContact O-N 3.24Å; A2-A5 PolarHBondContact O-N 3.01Å; A2-G6 PolarHBondContact O-N 3.01Å; A2-G6 VanDerWaalsContact O-N 3.16Å
3	S	73.1	Confident	83.7	Confident	23 Å²	23	64.7 Å²	64.7	16%	0.161	37%	0.367	C	S	.	.	H	α-helix	trans	-64.8	-24.7	-179.2	134.8	0	0	0	0	114.9	M1 Q7 K103	M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.48Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-Q7 VanDerWaalsContact O-CG 3.31Å; S3-Q7 WeakPolarHBondContact O-CG 3.26Å; S3-Q7 PolarHBondContact O-N 3.38Å; S3-K103 PolarHBondContact OG-NZ 3.35Å
4	M	82.3	Confident	84.6	Confident	92 Å²	92	60.1 Å²	60.1	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-80.9	-43.2	-179.4	-175	176.1	171.9	0	0	111	M1 A2 G6 Q7 L8	M1-M4 PolarHBondContact O-N 3.31Å; M1-M4 VanDerWaalsContact O-N 3.07Å; A2-M4 VanDerWaalsContact C-N 3.29Å; A2-M4 PolarHBondContact O-N 3.24Å; M4-G6 VanDerWaalsContact C-N 3.34Å; M4-G6 PolarHBondContact O-N 3.09Å; M4-Q7 PolarHBondContact O-N 2.97Å; M4-L8 WeakPolarHBondContact O-CB 2.92Å; M4-L8 PolarHBondContact O-N 3.14Å
5	A	86.6	Confident	85.4	Confident	66 Å²	66	60.7 Å²	60.7	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-44.4	174.7	0	0	0	0	0	111.4	A2 Q7 L8 L9	A2-A5 PolarHBondContact O-N 3.01Å; A5-Q7 PolarHBondContact O-N 3.33Å; A5-L8 PolarHBondContact O-N 3.22Å; A5-L9 VanDerWaalsContact O-CB 3.27Å; A5-L9 WeakPolarHBondContact O-CB 3.41Å; A5-L9 PolarHBondContact O-N 3.31Å
6	G	89	Confident	86.2	Confident	20 Å²	20	63.4 Å²	63.4	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-42.9	176.5	0	0	0	0	0	113.4	A2 M4 G10 V180	A2-G6 PolarHBondContact O-N 3.01Å; A2-G6 VanDerWaalsContact O-N 3.16Å; M4-G6 VanDerWaalsContact C-N 3.34Å; M4-G6 PolarHBondContact O-N 3.09Å; G6-G10 PolarHBondContact O-N 2.79Å; G6-V180 VanDerWaalsContact O-CG1 3.24Å; G6-V180 WeakPolarHBondContact O-CG1 3.48Å
7	Q	91	Very high	86.8	Confident	5 Å²	5	59.6 Å²	59.6	2%	0.023	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-44.3	176.1	-77.6	-178.1	-16.6	0	0	112.3	S3 M4 A5 F11 L181 S184	S3-Q7 VanDerWaalsContact O-CG 3.31Å; S3-Q7 WeakPolarHBondContact O-CG 3.26Å; S3-Q7 PolarHBondContact O-N 3.38Å; M4-Q7 PolarHBondContact O-N 2.97Å; A5-Q7 PolarHBondContact O-N 3.33Å; Q7-F11 WeakPolarHBondContact O-CB 3.22Å; Q7-F11 PolarHBondContact O-N 2.98Å; Q7-L181 VanDerWaalsContact O-CD2 3.31Å; Q7-L181 WeakPolarHBondContact O-CD2 3.19Å; Q7-S184 WeakPolarHBondContact CG-OG 3.5Å
8	L	92.4	Very high	87.4	Confident	69 Å²	69	58.4 Å²	58.4	36%	0.361	33%	0.325	S	S	.	.	H	α-helix	trans	-68.6	-43.5	-178.4	-165.3	71.8	0	0	0	111.4	M4 A5 F11 F12	M4-L8 WeakPolarHBondContact O-CB 2.92Å; M4-L8 PolarHBondContact O-N 3.14Å; A5-L8 PolarHBondContact O-N 3.22Å; L8-F11 PolarHBondContact O-N 3.11Å; L8-F12 HydrophobicContact CD1-CD2 4.34Å; L8-F12 HydrophobicContact CD1-CE2 3.74Å; L8-F12 HydrophobicContact CD1-CZ 4.38Å; L8-F12 HydrophobicContact CD2-CE2 3.89Å; L8-F12 HydrophobicContact CG-CD2 3.82Å; L8-F12 HydrophobicContact CG-CE2 3.47Å; L8-F12 VanDerWaalsContact CG-CE2 3.47Å; L8-F12 WeakPolarHBondContact O-CD2 3.39Å; L8-F12 PolarHBondContact O-N 3.3Å
9	L	94.2	Very high	88	Confident	98 Å²	98	57.8 Å²	57.8	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-59.1	-51.2	174.9	-179.2	65.7	0	0	0	111.1	A5 F11 F12 L13	A5-L9 VanDerWaalsContact O-CB 3.27Å; A5-L9 WeakPolarHBondContact O-CB 3.41Å; A5-L9 PolarHBondContact O-N 3.31Å; L9-F11 VanDerWaalsContact C-N 3.3Å; L9-F11 PolarHBondContact O-N 3.1Å; L9-F12 PolarHBondContact O-N 3.28Å; L9-L13 HydrophobicContact CD1-CD1 3.56Å; L9-L13 HydrophobicContact CG-CD1 3.99Å; L9-L13 VanDerWaalsContact O-CD1 3.25Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 PolarHBondContact O-N 3.43Å
10	G	94.5	Very high	88.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-39.8	179.1	0	0	0	0	0	112.7	G6 G14 G177	G6-G10 PolarHBondContact O-N 2.79Å; G10-G14 PolarHBondContact O-N 3.28Å; G10-G177 VanDerWaalsContact O-CA 3.28Å; G10-G177 WeakPolarHBondContact O-CA 3.3Å
11	F	95.3	Very high	88.8	Confident	23 Å²	23	53 Å²	53	10%	0.101	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-46.2	175.6	-179.3	-103.2	0	0	0	112.5	Q7 L8 L9 G14 L15 A98 V99 M102 L181	Q7-F11 WeakPolarHBondContact O-CB 3.22Å; Q7-F11 PolarHBondContact O-N 2.98Å; L8-F11 PolarHBondContact O-N 3.11Å; L9-F11 VanDerWaalsContact C-N 3.3Å; L9-F11 PolarHBondContact O-N 3.1Å; F11-G14 PolarHBondContact O-N 2.75Å; F11-L15 HydrophobicContact CE1-CD1 4.26Å; F11-L15 HydrophobicContact CZ-CD1 4.12Å; F11-L15 WeakPolarHBondContact O-CB 3.38Å; F11-L15 PolarHBondContact O-N 3.14Å; F11-A98 HydrophobicContact CD2-CB 3.97Å; F11-A98 HydrophobicContact CE2-CB 4.16Å; F11-V99 HydrophobicContact CE1-CG2 4.44Å; F11-V99 HydrophobicContact CE2-CG2 3.66Å; F11-V99 HydrophobicContact CZ-CG2 3.48Å; F11-V99 VanDerWaalsContact CZ-CG2 3.48Å; F11-M102 HydrophobicContact CB-SD 4.03Å; F11-M102 HydrophobicContact CD1-CE 3.83Å; F11-M102 HydrophobicContact CD1-SD 4.24Å; F11-M102 HydrophobicContact CD2-CE 3.82Å; F11-M102 HydrophobicContact CD2-SD 4.31Å; F11-M102 HydrophobicContact CE1-CE 3.91Å; F11-M102 HydrophobicContact CE2-CE 3.91Å; F11-M102 HydrophobicContact CG-CE 3.78Å; F11-M102 HydrophobicContact CG-SD 3.92Å; F11-M102 HydrophobicContact CZ-CE 3.95Å; F11-L181 HydrophobicContact CB-CD2 4.44Å
12	F	96.4	Very high	91.2	Very high	103 Å²	103	45.3 Å²	45.3	45%	0.452	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-40.2	177.3	-77.8	-59	0	0	0	112.4	L8 L9 G14 L15 L16	L8-F12 HydrophobicContact CD1-CD2 4.34Å; L8-F12 HydrophobicContact CD1-CE2 3.74Å; L8-F12 HydrophobicContact CD1-CZ 4.38Å; L8-F12 HydrophobicContact CD2-CE2 3.89Å; L8-F12 HydrophobicContact CG-CD2 3.82Å; L8-F12 HydrophobicContact CG-CE2 3.47Å; L8-F12 VanDerWaalsContact CG-CE2 3.47Å; L8-F12 WeakPolarHBondContact O-CD2 3.39Å; L8-F12 PolarHBondContact O-N 3.3Å; L9-F12 PolarHBondContact O-N 3.28Å; F12-G14 VanDerWaalsContact C-N 3.35Å; F12-L15 PolarHBondContact O-N 3.37Å; F12-L16 WeakPolarHBondContact O-CD1 3.31Å; F12-L16 PolarHBondContact O-N 3.38Å
13	L	96.8	Very high	93.4	Very high	43 Å²	43	44.9 Å²	44.9	23%	0.225	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-44.8	173.7	-94.9	68.3	0	0	0	111.5	L9 L15 L16 G17 L173 T176	L9-L13 HydrophobicContact CD1-CD1 3.56Å; L9-L13 HydrophobicContact CG-CD1 3.99Å; L9-L13 VanDerWaalsContact O-CD1 3.25Å; L9-L13 WeakPolarHBondContact O-CD1 3.43Å; L9-L13 PolarHBondContact O-N 3.43Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 2.99Å; L13-L16 PolarHBondContact O-N 3.1Å; L13-G17 PolarHBondContact O-N 3.29Å; L13-L173 HydrophobicContact CG-CD2 4.45Å; L13-T176 HydrophobicContact CD2-CG2 3.91Å
14	G	96.6	Very high	94.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-41.7	174.3	0	0	0	0	0	112.7	G10 F11 F12 G17 F18 F125	G10-G14 PolarHBondContact O-N 3.28Å; F11-G14 PolarHBondContact O-N 2.75Å; F12-G14 VanDerWaalsContact C-N 3.35Å; G14-G17 PolarHBondContact O-N 3.33Å; G14-F18 WeakPolarHBondContact O-CB 3.25Å; G14-F18 PolarHBondContact O-N 3.34Å; G14-F125 WeakPolarHBondContact O-CE1 3.41Å
15	L	96.8	Very high	94.9	Very high	70 Å²	70	39.9 Å²	39.9	37%	0.366	23%	0.229	S	C	.	.	H	α-helix	trans	-67.8	-41	178.5	-165.6	114	0	0	0	112.5	F11 F12 L13 G17 F18 A19	F11-L15 HydrophobicContact CE1-CD1 4.26Å; F11-L15 HydrophobicContact CZ-CD1 4.12Å; F11-L15 WeakPolarHBondContact O-CB 3.38Å; F11-L15 PolarHBondContact O-N 3.14Å; F12-L15 PolarHBondContact O-N 3.37Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 2.99Å; L15-G17 VanDerWaalsContact C-N 3.34Å; L15-F18 PolarHBondContact O-N 2.67Å; L15-A19 WeakPolarHBondContact O-CB 3.46Å; L15-A19 PolarHBondContact O-N 3.47Å
16	L	97.7	Very high	95.2	Very high	103 Å²	103	41.9 Å²	41.9	54%	0.539	23%	0.23	S	C	.	.	H	α-helix	trans	-63.1	-41.9	172.2	-94.7	80	0	0	0	111.1	F12 L13 A19 G20	F12-L16 WeakPolarHBondContact O-CD1 3.31Å; F12-L16 PolarHBondContact O-N 3.38Å; L13-L16 PolarHBondContact O-N 3.1Å; L16-A19 PolarHBondContact O-N 3.49Å; L16-G20 PolarHBondContact O-N 3.34Å
17	G	97.3	Very high	95.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-51.7	173	0	0	0	0	0	111.5	L13 G14 L15 A19 G20 T21 S170	L13-G17 PolarHBondContact O-N 3.29Å; G14-G17 PolarHBondContact O-N 3.33Å; L15-G17 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 3.08Å; G17-G20 PolarHBondContact O-N 3.14Å; G17-G20 VanDerWaalsContact O-N 3.14Å; G17-T21 PolarHBondContact O-N 3.42Å; G17-T21 PolarHBondContact O-OG1 2.91Å; G17-S170 WeakPolarHBondContact CA-O 3.5Å; G17-S170 WeakPolarHBondContact O-CB 3.22Å
18	F	97.4	Very high	95.2	Very high	38 Å²	38	44.7 Å²	44.7	17%	0.167	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-46.9	176.9	169.8	-123.2	0	0	0	113	G14 L15 G20 T21 I22 C88 V92	G14-F18 WeakPolarHBondContact O-CB 3.25Å; G14-F18 PolarHBondContact O-N 3.34Å; L15-F18 PolarHBondContact O-N 2.67Å; F18-G20 VanDerWaalsContact C-N 3.32Å; F18-G20 PolarHBondContact O-N 2.73Å; F18-T21 PolarHBondContact O-N 2.8Å; F18-I22 HydrophobicContact CD1-CD1 4.16Å; F18-I22 HydrophobicContact CD2-CD1 4.09Å; F18-I22 HydrophobicContact CD2-CG1 4.27Å; F18-I22 HydrophobicContact CE1-CD1 3.6Å; F18-I22 HydrophobicContact CE2-CD1 3.53Å; F18-I22 HydrophobicContact CE2-CG1 3.83Å; F18-I22 HydrophobicContact CG-CD1 4.4Å; F18-I22 HydrophobicContact CZ-CD1 3.26Å; F18-I22 HydrophobicContact CZ-CG1 4.08Å; F18-I22 PolarHBondContact O-N 3.06Å; F18-C88 HydrophobicContact CE2-CB 4.49Å; F18-V92 HydrophobicContact CE1-CG2 4.24Å; F18-V92 HydrophobicContact CE2-CG2 3.73Å; F18-V92 HydrophobicContact CZ-CG2 3.35Å
19	A	97.7	Very high	95	Very high	47 Å²	47	43.8 Å²	43.8	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-43.3	176.3	0	0	0	0	0	111.4	L15 L16 G17 T21 I22 V23	L15-A19 WeakPolarHBondContact O-CB 3.46Å; L15-A19 PolarHBondContact O-N 3.47Å; L16-A19 PolarHBondContact O-N 3.49Å; G17-A19 PolarHBondContact O-N 3.08Å; A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.4Å; A19-I22 PolarHBondContact O-N 3.32Å; A19-V23 WeakPolarHBondContact O-CG2 3.45Å; A19-V23 PolarHBondContact O-N 2.95Å
20	G	96.4	Very high	94.8	Very high	12 Å²	12	39.6 Å²	39.6	12%	0.124	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-38.8	174.3	0	0	0	0	0	113.1	L16 G17 F18 V23 T24	L16-G20 PolarHBondContact O-N 3.34Å; G17-G20 PolarHBondContact O-N 3.14Å; G17-G20 VanDerWaalsContact O-N 3.14Å; F18-G20 VanDerWaalsContact C-N 3.32Å; F18-G20 PolarHBondContact O-N 2.73Å; G20-V23 PolarHBondContact O-N 3.23Å; G20-T24 VanDerWaalsContact O-CB 3.3Å; G20-T24 WeakPolarHBondContact O-CB 3.27Å; G20-T24 PolarHBondContact O-N 3.36Å; G20-T24 PolarHBondContact O-OG1 3.33Å
21	T	96.3	Very high	94.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-39.9	175.8	-54	0	0	0	0	111.5	G17 F18 A19 T25 M84 C132 S170	G17-T21 PolarHBondContact O-N 3.42Å; G17-T21 PolarHBondContact O-OG1 2.91Å; F18-T21 PolarHBondContact O-N 2.8Å; A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.4Å; T21-T25 WeakPolarHBondContact O-CB 3.14Å; T21-T25 PolarHBondContact O-N 3.48Å; T21-T25 PolarHBondContact O-OG1 3.48Å; T21-M84 HydrophobicContact CG2-CE 3.81Å; T21-C132 HydrophobicContact CG2-CB 4.3Å; T21-S170 PolarHBondContact OG1-OG 3.02Å
22	I	96.6	Very high	93.8	Very high	61 Å²	61	41.5 Å²	41.5	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-50.8	173.3	-67.6	164.3	0	0	0	110.4	F18 A19 T24 T25 L26	F18-I22 HydrophobicContact CD1-CD1 4.16Å; F18-I22 HydrophobicContact CD2-CD1 4.09Å; F18-I22 HydrophobicContact CD2-CG1 4.27Å; F18-I22 HydrophobicContact CE1-CD1 3.6Å; F18-I22 HydrophobicContact CE2-CD1 3.53Å; F18-I22 HydrophobicContact CE2-CG1 3.83Å; F18-I22 HydrophobicContact CG-CD1 4.4Å; F18-I22 HydrophobicContact CZ-CD1 3.26Å; F18-I22 HydrophobicContact CZ-CG1 4.08Å; F18-I22 PolarHBondContact O-N 3.06Å; A19-I22 PolarHBondContact O-N 3.32Å; I22-T24 VanDerWaalsContact C-N 3.31Å; I22-T24 PolarHBondContact O-N 3.3Å; I22-T25 WeakPolarHBondContact O-CB 3.36Å; I22-T25 PolarHBondContact O-N 2.78Å; I22-T25 VanDerWaalsContact O-N 3.11Å; I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.43Å; I22-L26 WeakPolarHBondContact O-CG 3.47Å; I22-L26 PolarHBondContact O-N 2.85Å
23	V	96.1	Very high	92.9	Very high	68 Å²	68	36.9 Å²	36.9	41%	0.412	20%	0.202	S	C	.	.	H	α-helix	trans	-58.8	-46.5	-179.6	174.9	0	0	0	0	110.3	A19 G20 T25 L26 L27 L166	A19-V23 WeakPolarHBondContact O-CG2 3.45Å; A19-V23 PolarHBondContact O-N 2.95Å; G20-V23 PolarHBondContact O-N 3.23Å; V23-T25 VanDerWaalsContact C-N 3.3Å; V23-T25 PolarHBondContact O-N 3.28Å; V23-L26 PolarHBondContact O-N 3.04Å; V23-L27 HydrophobicContact CG1-CD1 4.12Å; V23-L27 WeakPolarHBondContact O-CB 3.19Å; V23-L27 PolarHBondContact O-N 3.44Å; V23-L166 HydrophobicContact CB-CD2 4.03Å; V23-L166 HydrophobicContact CG1-CD2 3.53Å
24	T	94.9	Very high	91.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	-41.9	176.2	-59.1	0	0	0	0	111.8	G20 I22 L26 W30 M84 A163 G167	G20-T24 VanDerWaalsContact O-CB 3.3Å; G20-T24 WeakPolarHBondContact O-CB 3.27Å; G20-T24 PolarHBondContact O-N 3.36Å; G20-T24 PolarHBondContact O-OG1 3.33Å; I22-T24 VanDerWaalsContact C-N 3.31Å; I22-T24 PolarHBondContact O-N 3.3Å; T24-L26 VanDerWaalsContact C-N 3.33Å; T24-L26 PolarHBondContact O-N 3.47Å; T24-W30 HydrophobicContact CG2-CH2 4.22Å; T24-W30 HydrophobicContact CG2-CZ2 3.64Å; T24-W30 PolarHBondContact O-NE1 3.37Å; T24-M84 HydrophobicContact CG2-CE 4.04Å; T24-A163 HydrophobicContact CG2-CB 4.45Å; T24-A163 WeakPolarHBondContact CG2-O 3.34Å; T24-G167 PolarHBondContact OG1-N 3.45Å
25	T	93.5	Very high	89.8	Confident	11 Å²	11	41.4 Å²	41.4	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-38.6	178.7	-57.7	0	0	0	0	112.1	T21 I22 V23 L50 W51 M84	T21-T25 WeakPolarHBondContact O-CB 3.14Å; T21-T25 PolarHBondContact O-N 3.48Å; T21-T25 PolarHBondContact O-OG1 3.48Å; I22-T25 WeakPolarHBondContact O-CB 3.36Å; I22-T25 PolarHBondContact O-N 2.78Å; I22-T25 VanDerWaalsContact O-N 3.11Å; V23-T25 VanDerWaalsContact C-N 3.3Å; V23-T25 PolarHBondContact O-N 3.28Å; T25-L50 HydrophobicContact CG2-CD2 4.42Å; T25-W51 PolarHBondContact O-NE1 3.45Å; T25-M84 HydrophobicContact CG2-CB 4.33Å; T25-M84 WeakPolarHBondContact OG1-CE 3.21Å
26	L	92.1	Very high	87.7	Confident	107 Å²	107	44.9 Å²	44.9	56%	0.56	25%	0.245	S	C	*	.	H	α-helix	trans	-85.4	-27.1	-175.9	-64.1	175.9	0	0	0	113.5	I22 V23 T24	I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.43Å; I22-L26 WeakPolarHBondContact O-CG 3.47Å; I22-L26 PolarHBondContact O-N 2.85Å; V23-L26 PolarHBondContact O-N 3.04Å; T24-L26 VanDerWaalsContact C-N 3.33Å; T24-L26 PolarHBondContact O-N 3.47Å
27	L	91.9	Very high	85.4	Confident	62 Å²	62	41 Å²	41	33%	0.325	23%	0.23	S	C	.	.			trans	-66	134.4	-175	-131.4	70.8	0	0	0	111.4	V23 H29 A163	V23-L27 HydrophobicContact CG1-CD1 4.12Å; V23-L27 WeakPolarHBondContact O-CB 3.19Å; V23-L27 PolarHBondContact O-N 3.44Å; L27-H29 HydrophobicContact CD2-CB 4.3Å; L27-H29 PolarHBondContact O-N 3.45Å; L27-H29 VanDerWaalsContact O-N 3.13Å; L27-A163 HydrophobicContact CB-CB 4.02Å; L27-A163 HydrophobicContact CD2-CB 4.21Å
28	P	88.2	Confident	83.2	Confident	23 Å²	23	46.6 Å²	46.6	15%	0.149	27%	0.269	C	S	.	.	S	Bend	trans	-79.6	12.6	178.9	31.8	-35.7	0	0	0	114.4	M47 K48 G49 M52	P28-M47 CarbonylContact O-C 3.57Å; P28-K48 CarbonylContact O-C 3.16Å; P28-G49 VanDerWaalsContact CA-CA 3.46Å; P28-G49 WeakPolarHBondContact O-CA 3.22Å; P28-G49 PolarHBondContact O-N 3.36Å; P28-G49 VanDerWaalsContact O-N 3.11Å; P28-M52 HydrophobicContact CB-CG 3.66Å; P28-M52 HydrophobicContact CB-SD 4.1Å; P28-M52 HydrophobicContact CG-CG 4.49Å; P28-M52 HydrophobicContact CG-SD 4.3Å
29	H	88.5	Confident	80.7	Confident	50 Å²	50	51 Å²	51	23%	0.231	29%	0.294	C	S	.	.			trans	-110.3	47.1	-165.7	-131.8	75.1	0	0	0	112	L27 M47 G161 L162 A163	L27-H29 HydrophobicContact CD2-CB 4.3Å; L27-H29 PolarHBondContact O-N 3.45Å; L27-H29 VanDerWaalsContact O-N 3.13Å; H29-M47 PolarHBondContact CE1-SD 2.8Å; H29-G161 CarbonylContact O-C 3.58Å; H29-G161 WeakPolarHBondContact O-CA 3.05Å; H29-L162 PolarHBondContact O-N 3.1Å; H29-A163 HydrophobicContact CB-CB 4.44Å; H29-A163 WeakPolarHBondContact O-CB 3.27Å; H29-A163 PolarHBondContact O-N 3.11Å
30	W	89.8	Confident	78.5	Confident	10 Å²	10	57.1 Å²	57.1	4%	0.038	32%	0.319	C	S	.	.	S	Bend	trans	-85	-44.3	178.3	-78.2	66.8	0	0	0	111.8	T24 K48 L50 M84 T135 V136 T139 G161 A163 V164	T24-W30 HydrophobicContact CG2-CH2 4.22Å; T24-W30 HydrophobicContact CG2-CZ2 3.64Å; T24-W30 PolarHBondContact O-NE1 3.37Å; W30-K48 WeakPolarHBondContact CB-O 3.31Å; W30-K48 PolarHBondContact N-O 3.37Å; W30-K48 VanDerWaalsContact N-O 3.13Å; W30-L50 HydrophobicContact CD2-CD1 4.02Å; W30-L50 HydrophobicContact CE3-CD1 4.18Å; W30-L50 HydrophobicContact CH2-CD1 4.25Å; W30-L50 HydrophobicContact CZ2-CD1 4.08Å; W30-L50 HydrophobicContact CZ2-CD2 4.17Å; W30-L50 HydrophobicContact CZ3-CD1 4.3Å; W30-M84 HydrophobicContact CH2-CE 4.07Å; W30-M84 HydrophobicContact CH2-CG 3.94Å; W30-M84 HydrophobicContact CH2-SD 3.87Å; W30-M84 HydrophobicContact CZ2-CE 3.98Å; W30-M84 HydrophobicContact CZ2-CG 4.24Å; W30-M84 HydrophobicContact CZ2-SD 4.34Å; W30-T135 HydrophobicContact CH2-CG2 4.49Å; W30-V136 HydrophobicContact CH2-CG2 4.42Å; W30-T139 HydrophobicContact CE3-CG2 4.14Å; W30-T139 HydrophobicContact CZ3-CG2 3.87Å; W30-G161 PolarHBondContact O-N 2.83Å; W30-A163 HydrophobicContact CG-CB 4.18Å; W30-V164 HydrophobicContact CE3-CG2 4.29Å; W30-V164 WeakPolarHBondContact O-CG2 3.21Å
31	R	85.9	Confident	76.5	Confident	47 Å²	47	64.8 Å²	64.8	18%	0.177	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132	174.2	-56.2	-175.5	-178.6	179.2	0.6	109	K48 D142 V143 D146 Y158	R31-K48 HydrophobicContact CB-CB 4.39Å; R31-K48 PolarHBondContact N-O 3.14Å; R31-K48 PolarHBondContact O-N 3.07Å; R31-D142 IonicContact NH2-OD2 3.58Å; R31-V143 HydrophobicContact CG-CG2 3.74Å; R31-V143 VanDerWaalsContact NE-CG2 3.31Å; R31-D146 IonicContact NH1-OD2 3.72Å; R31-Y158 HydrophobicContact CB-CD1 3.76Å; R31-Y158 HydrophobicContact CB-CG 4.26Å
32	S	82.9	Confident	74.7	Confident	16 Å²	16	69 Å²	69	11%	0.112	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.6	-178.9	170.4	0	0	0	0	109.5	M47 E159	S32-M47 VanDerWaalsContact CB-SD 3.52Å; S32-M47 WeakPolarHBondContact OG-CE 3.5Å; S32-M47 PolarHBondContact OG-SD 3.24Å; S32-M47 VanDerWaalsContact OG-SD 3.34Å; S32-E159 PolarHBondContact N-O 2.98Å; S32-E159 WeakPolarHBondContact O-CA 3.4Å; S32-E159 WeakPolarHBondContact O-CB 3.4Å; S32-E159 PolarHBondContact O-N 2.96Å
33	T	77.3	Confident	73.1	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132	167.3	62.4	0	0	0	0	110.4	A45 Y46 K157 Y158	T33-A45 CarbonylContact O-C 3.52Å; T33-A45 VanDerWaalsContact O-CA 3.27Å; T33-A45 WeakPolarHBondContact O-CA 3.47Å; T33-Y46 PolarHBondContact N-O 3.49Å; T33-Y46 PolarHBondContact O-N 3.34Å; T33-K157 WeakPolarHBondContact CG2-O 3.46Å; T33-Y158 HydrophobicContact CG2-CD1 3.07Å; T33-Y158 HydrophobicContact CG2-CD2 3.84Å; T33-Y158 HydrophobicContact CG2-CE1 3.53Å; T33-Y158 HydrophobicContact CG2-CE2 4.26Å; T33-Y158 HydrophobicContact CG2-CG 3.15Å
34	A	64.9	Low	72	Confident	60 Å²	60	65.5 Å²	65.5	50%	0.496	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	92.9	165.3	0	0	0	0	0	107.8	M36	A34-M36 PolarHBondContact O-N 3.32Å; A34-M36 VanDerWaalsContact O-N 3.15Å
35	Y	63.7	Low	71.2	Confident	78 Å²	78	66.7 Å²	66.7	31%	0.306	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	109.2	175.3	-171.4	-94.5	0	0	0	109.3	T44 G155 M156	Y35-T44 WeakPolarHBondContact CB-O 3.27Å; Y35-T44 PolarHBondContact N-O 3.44Å; Y35-G155 WeakPolarHBondContact CD2-O 3.44Å; Y35-M156 HydrophobicContact CD2-CG 4.46Å; Y35-M156 HydrophobicContact CD2-SD 3.48Å; Y35-M156 WeakPolarHBondContact CD2-SD 3.12Å; Y35-M156 HydrophobicContact CE2-CG 4.14Å; Y35-M156 HydrophobicContact CE2-SD 3.4Å; Y35-M156 WeakPolarHBondContact CE2-SD 3.43Å
36	M	52.4	Low	70.7	Confident	143 Å²	143	70.9 Å²	70.9	70%	0.704	39%	0.39	S	S	*	.			trans	-109.6	64.2	167.8	-61.9	-66.7	175.9	0	0	108.4	A34 A43	A34-M36 PolarHBondContact O-N 3.32Å; A34-M36 VanDerWaalsContact O-N 3.15Å; M36-A43 HydrophobicContact CE-CB 4.48Å; M36-A43 HydrophobicContact SD-CB 4.09Å
37	G	50.3	Low	70.4	Confident	21 Å²	21	67 Å²	67	22%	0.216	37%	0.369	C	S	.	.			trans	-64.1	150	173.9	0	0	0	0	0	111.3	N39	G37-N39 PolarHBondContact O-N 3.04Å
38	S	49.7	Very low	70.2	Confident	118 Å²	118	67 Å²	67	83%	0.825	37%	0.367	S	S	*	.	S	Bend	trans	-60.7	7.6	178.3	52.1	0	0	0	0	115.7
39	N	46.2	Very low	70.2	Confident	130 Å²	130	66 Å²	66	70%	0.695	36%	0.361	S	S	*	.			trans	-97.3	100.3	170.2	-70.9	-33.3	0	0	0	108.6	G37 M41	G37-N39 PolarHBondContact O-N 3.04Å; N39-M41 PolarHBondContact O-N 3.48Å
40	I	50.2	Low	70.2	Confident	176 Å²	176	63.8 Å²	63.8	90%	0.903	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-2.1	-169.6	-121.1	118.7	0	0	0	115.7
41	M	54.3	Low	70.2	Confident	174 Å²	174	67.6 Å²	67.6	86%	0.857	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-14.4	-169.1	-101.4	-159.5	162	0	0	116.9	N39	N39-M41 PolarHBondContact O-N 3.48Å
42	T	58.8	Low	70.3	Confident	89 Å²	89	68 Å²	68	55%	0.546	37%	0.369	S	S	.	.			trans	-150.7	96.3	177.7	51	0	0	0	0	112.7	T44	T42-T44 PolarHBondContact O-N 2.87Å
43	A	63.7	Low	70.5	Confident	44 Å²	44	70.5 Å²	70.5	36%	0.364	38%	0.379	S	S	.	.			trans	-70.5	120.2	164.9	0	0	0	0	0	108.8	M36 S58	M36-A43 HydrophobicContact CE-CB 4.48Å; M36-A43 HydrophobicContact SD-CB 4.09Å; A43-S58 PolarHBondContact O-N 3.02Å; A43-S58 VanDerWaalsContact O-N 3.09Å
44	T	71.9	Confident	71	Confident	12 Å²	12	70.3 Å²	70.3	7%	0.074	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.2	179.9	-55.2	0	0	0	0	109.3	Y35 T42 Y46 A55 W56 H57	Y35-T44 WeakPolarHBondContact CB-O 3.27Å; Y35-T44 PolarHBondContact N-O 3.44Å; T42-T44 PolarHBondContact O-N 2.87Å; T44-Y46 HydrophobicContact CG2-CD2 4.22Å; T44-Y46 HydrophobicContact CG2-CE1 4.16Å; T44-Y46 HydrophobicContact CG2-CE2 3.67Å; T44-A55 HydrophobicContact CG2-CB 4.27Å; T44-W56 CarbonylContact C-O 3.55Å; T44-W56 WeakPolarHBondContact CA-O 3.43Å; T44-H57 VanDerWaalsContact CG2-CE1 3.42Å; T44-H57 WeakPolarHBondContact CG2-CE1 3.35Å; T44-H57 VanDerWaalsContact CG2-ND1 3.3Å; T44-H57 WeakPolarHBondContact CG2-ND1 3.33Å; T44-H57 PolarHBondContact OG1-ND1 2.99Å
45	A	78.9	Confident	72.1	Confident	24 Å²	24	68 Å²	68	20%	0.198	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.9	173.6	0	0	0	0	0	109.7	T33 M47 A55 W56	T33-A45 CarbonylContact O-C 3.52Å; T33-A45 VanDerWaalsContact O-CA 3.27Å; T33-A45 WeakPolarHBondContact O-CA 3.47Å; A45-M47 HydrophobicContact CB-CE 3.92Å; A45-A55 WeakPolarHBondContact O-CA 3.48Å; A45-W56 HydrophobicContact CB-CB 4.34Å; A45-W56 PolarHBondContact N-O 3.22Å; A45-W56 PolarHBondContact O-N 3.02Å
46	Y	82.8	Confident	73	Confident	100 Å²	100	70.7 Å²	70.7	39%	0.392	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.8	178.4	-67	-85.7	0	0	0	110.1	T33 T44 A55	T33-Y46 PolarHBondContact N-O 3.49Å; T33-Y46 PolarHBondContact O-N 3.34Å; T44-Y46 HydrophobicContact CG2-CD2 4.22Å; T44-Y46 HydrophobicContact CG2-CE1 4.16Å; T44-Y46 HydrophobicContact CG2-CE2 3.67Å; Y46-A55 HydrophobicContact CD1-CB 3.87Å; Y46-A55 HydrophobicContact CE1-CB 3.82Å
47	M	86.5	Confident	74.5	Confident	24 Å²	24	66.4 Å²	66.4	12%	0.118	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	110.6	178.1	-57.9	-62.1	148.2	0	0	107.9	P28 H29 S32 A45 E53 C54	P28-M47 CarbonylContact O-C 3.57Å; H29-M47 PolarHBondContact CE1-SD 2.8Å; S32-M47 VanDerWaalsContact CB-SD 3.52Å; S32-M47 WeakPolarHBondContact OG-CE 3.5Å; S32-M47 PolarHBondContact OG-SD 3.24Å; S32-M47 VanDerWaalsContact OG-SD 3.34Å; A45-M47 HydrophobicContact CB-CE 3.92Å; M47-E53 CarbonylContact O-C 3.09Å; M47-E53 WeakPolarHBondContact O-CA 3.2Å; M47-C54 HydrophobicContact CB-CB 4.38Å; M47-C54 PolarHBondContact N-O 3.45Å; M47-C54 PolarHBondContact O-N 3.45Å
48	K	86.8	Confident	75.9	Confident	63 Å²	63	69 Å²	69	27%	0.274	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.4	177.5	-72.9	-175.1	176.4	167.6	0	109.8	P28 W30 R31 E53 Y158	P28-K48 CarbonylContact O-C 3.16Å; W30-K48 WeakPolarHBondContact CB-O 3.31Å; W30-K48 PolarHBondContact N-O 3.37Å; W30-K48 VanDerWaalsContact N-O 3.13Å; R31-K48 HydrophobicContact CB-CB 4.39Å; R31-K48 PolarHBondContact N-O 3.14Å; R31-K48 PolarHBondContact O-N 3.07Å; K48-E53 HydrophobicContact CG-CB 4.32Å; K48-Y158 HydrophobicContact CD-CE1 3.78Å; K48-Y158 HydrophobicContact CG-CE1 4.43Å; K48-Y158 PolarHBondContact NZ-OH 3.02Å
49	G	89.6	Confident	77.3	Confident	2 Å²	2	68.2 Å²	68.2	2%	0.021	35%	0.353	C	S	.	.			trans	-96.2	177.1	170.6	0	0	0	0	0	113	P28 M52	P28-G49 VanDerWaalsContact CA-CA 3.46Å; P28-G49 WeakPolarHBondContact O-CA 3.22Å; P28-G49 PolarHBondContact O-N 3.36Å; P28-G49 VanDerWaalsContact O-N 3.11Å; G49-M52 CarbonylContact C-O 3.52Å; G49-M52 WeakPolarHBondContact CA-O 3.36Å; G49-M52 PolarHBondContact N-O 2.85Å
50	L	87.4	Confident	78.9	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.016	34%	0.344	C	S	.	.	S	Bend	trans	-68.9	-42.6	171.5	-137.1	70.9	0	0	0	111	T25 W30 A80 R81 M84	T25-L50 HydrophobicContact CG2-CD2 4.42Å; W30-L50 HydrophobicContact CD2-CD1 4.02Å; W30-L50 HydrophobicContact CE3-CD1 4.18Å; W30-L50 HydrophobicContact CH2-CD1 4.25Å; W30-L50 HydrophobicContact CZ2-CD1 4.08Å; W30-L50 HydrophobicContact CZ2-CD2 4.17Å; W30-L50 HydrophobicContact CZ3-CD1 4.3Å; L50-A80 HydrophobicContact CD1-CB 4.07Å; L50-R81 HydrophobicContact CD2-CB 4.44Å; L50-R81 HydrophobicContact CD2-CG 3.93Å; L50-R81 HydrophobicContact CG-CG 3.7Å; L50-R81 PolarHBondContact O-NE 3.36Å; L50-R81 PolarHBondContact O-NH2 3.37Å; L50-M84 HydrophobicContact CD2-CB 4.09Å; L50-M84 HydrophobicContact CD2-CG 3.92Å
51	W	89.2	Confident	80.5	Confident	91 Å²	91	60.4 Å²	60.4	35%	0.345	32%	0.324	S	S	.	.	S	Bend	trans	-109.4	-20.1	-173.6	-59.7	90.8	0	0	0	115.5	T25 L66 Y67 V85	T25-W51 PolarHBondContact O-NE1 3.45Å; W51-L66 WeakPolarHBondContact O-CG 3.24Å; W51-Y67 WeakPolarHBondContact O-CD2 3.15Å; W51-Y67 PolarHBondContact O-N 2.88Å; W51-V85 HydrophobicContact CH2-CG2 4.24Å; W51-V85 HydrophobicContact CZ2-CG2 3.9Å
52	M	88.4	Confident	82.1	Confident	54 Å²	54	57.4 Å²	57.4	27%	0.266	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.1	-178.4	69.8	-171.6	85.2	0	0	109.3	P28 G49 E65 L66	P28-M52 HydrophobicContact CB-CG 3.66Å; P28-M52 HydrophobicContact CB-SD 4.1Å; P28-M52 HydrophobicContact CG-CG 4.49Å; P28-M52 HydrophobicContact CG-SD 4.3Å; G49-M52 CarbonylContact C-O 3.52Å; G49-M52 WeakPolarHBondContact CA-O 3.36Å; G49-M52 PolarHBondContact N-O 2.85Å; M52-E65 CarbonylContact C-O 3.54Å; M52-E65 VanDerWaalsContact CA-O 3.32Å; M52-E65 WeakPolarHBondContact CA-O 3.17Å; M52-E65 WeakPolarHBondContact CB-O 3.25Å; M52-L66 HydrophobicContact CB-CG 4.47Å
53	E	87.7	Confident	83.4	Confident	69 Å²	69	58.6 Å²	58.6	32%	0.322	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.9	167.4	59.5	-171.9	164.8	0	0	109.2	M47 K48 C64 E65 Y67	M47-E53 CarbonylContact O-C 3.09Å; M47-E53 WeakPolarHBondContact O-CA 3.2Å; K48-E53 HydrophobicContact CG-CB 4.32Å; E53-C64 CarbonylContact O-C 3.57Å; E53-C64 WeakPolarHBondContact O-CA 3.21Å; E53-E65 PolarHBondContact N-O 2.75Å; E53-E65 PolarHBondContact O-N 3.48Å; E53-Y67 HydrophobicContact CB-CE1 4.25Å; E53-Y67 HydrophobicContact CG-CE1 4.03Å
54	C	88.1	Confident	84.6	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.2	179.8	-58.7	0	0	0	0	109.9	M47 Y62 Q63 C64	M47-C54 HydrophobicContact CB-CB 4.38Å; M47-C54 PolarHBondContact N-O 3.45Å; M47-C54 PolarHBondContact O-N 3.45Å; C54-Y62 HydrophobicContact CB-CE1 4.44Å; C54-Y62 HydrophobicContact CB-CE2 3.98Å; C54-Q63 CarbonylContact C-O 3.59Å; C54-Q63 VanDerWaalsContact CA-O 3.26Å; C54-Q63 WeakPolarHBondContact CA-O 3.31Å; C54-C64 HydrophobicContact CB-CB 4.13Å; C54-C64 WeakPolarHBondContact CB-SG 3.44Å; C54-C64 WeakPolarHBondContact SG-CB 3.31Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.22Å
55	A	86.9	Confident	85.3	Confident	12 Å²	12	63.6 Å²	63.6	10%	0.099	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.5	173	0	0	0	0	0	109.6	T44 A45 Y46 Q63	T44-A55 HydrophobicContact CG2-CB 4.27Å; A45-A55 WeakPolarHBondContact O-CA 3.48Å; Y46-A55 HydrophobicContact CD1-CB 3.87Å; Y46-A55 HydrophobicContact CE1-CB 3.82Å; A55-Q63 PolarHBondContact N-O 2.86Å; A55-Q63 PolarHBondContact O-N 3.45Å
56	W	84.1	Confident	85.7	Confident	133 Å²	133	67.6 Å²	67.6	50%	0.504	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.8	171.2	-177.4	-79.9	0	0	0	108.9	T44 A45 Y62	T44-W56 CarbonylContact C-O 3.55Å; T44-W56 WeakPolarHBondContact CA-O 3.43Å; A45-W56 HydrophobicContact CB-CB 4.34Å; A45-W56 PolarHBondContact N-O 3.22Å; A45-W56 PolarHBondContact O-N 3.02Å; W56-Y62 HydrophobicContact CB-CD2 4.19Å; W56-Y62 HydrophobicContact CD2-CD2 4.24Å; W56-Y62 AromaticContact CE3-CD2 3.32Å; W56-Y62 HydrophobicContact CE3-CD2 3.32Å; W56-Y62 AromaticContact CE3-CE2 3.99Å; W56-Y62 HydrophobicContact CE3-CE2 3.99Å; W56-Y62 AromaticContact CE3-CG 3.95Å; W56-Y62 HydrophobicContact CE3-CG 3.95Å; W56-Y62 AromaticContact CZ3-CD2 3.99Å; W56-Y62 HydrophobicContact CZ3-CD2 3.99Å; W56-Y62 HydrophobicContact CZ3-CG 4.19Å
57	H	83.9	Confident	85.7	Confident	53 Å²	53	64.5 Å²	64.5	25%	0.245	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147	176.2	-62.2	-72.4	0	0	0	111.1	T44 T59 G60 I61	T44-H57 VanDerWaalsContact CG2-CE1 3.42Å; T44-H57 WeakPolarHBondContact CG2-CE1 3.35Å; T44-H57 VanDerWaalsContact CG2-ND1 3.3Å; T44-H57 WeakPolarHBondContact CG2-ND1 3.33Å; T44-H57 PolarHBondContact OG1-ND1 2.99Å; H57-T59 WeakPolarHBondContact CB-OG1 3.28Å; H57-T59 PolarHBondContact O-N 3.48Å; H57-G60 PolarHBondContact O-N 3.27Å; H57-I61 PolarHBondContact N-O 3.43Å
58	S	78.5	Confident	84.9	Confident	77 Å²	77	74 Å²	74	54%	0.538	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.2	175.5	58.4	0	0	0	0	114.5	A43 G60	A43-S58 PolarHBondContact O-N 3.02Å; A43-S58 VanDerWaalsContact O-N 3.09Å; S58-G60 PolarHBondContact O-N 3.49Å
59	T	79.6	Confident	84.1	Confident	100 Å²	100	74.8 Å²	74.8	61%	0.613	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	0.3	172.4	52.4	0	0	0	0	113.8	H57 I61	H57-T59 WeakPolarHBondContact CB-OG1 3.28Å; H57-T59 PolarHBondContact O-N 3.48Å; T59-I61 VanDerWaalsContact C-N 3.31Å
60	G	79.4	Confident	82.7	Confident	50 Å²	50	79.9 Å²	79.9	52%	0.515	40%	0.403	S	S	.	.	S	Bend	trans	81.8	8.7	-178.6	0	0	0	0	0	113.9	H57 S58	H57-G60 PolarHBondContact O-N 3.27Å; S58-G60 PolarHBondContact O-N 3.49Å
61	I	84.3	Confident	81.3	Confident	93 Å²	93	88.2 Å²	88.2	48%	0.477	45%	0.447	S	S	.	.			trans	-85.6	124.5	178	-56.8	172.9	0	0	0	108.8	H57 T59	H57-I61 PolarHBondContact N-O 3.43Å; T59-I61 VanDerWaalsContact C-N 3.31Å
62	Y	86.8	Confident	79.9	Confident	111 Å²	111	88.1 Å²	88.1	44%	0.435	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.7	172.3	-169.8	-115	0	0	0	109.7	C54 W56 C64	C54-Y62 HydrophobicContact CB-CE1 4.44Å; C54-Y62 HydrophobicContact CB-CE2 3.98Å; W56-Y62 HydrophobicContact CB-CD2 4.19Å; W56-Y62 HydrophobicContact CD2-CD2 4.24Å; W56-Y62 AromaticContact CE3-CD2 3.32Å; W56-Y62 HydrophobicContact CE3-CD2 3.32Å; W56-Y62 AromaticContact CE3-CE2 3.99Å; W56-Y62 HydrophobicContact CE3-CE2 3.99Å; W56-Y62 AromaticContact CE3-CG 3.95Å; W56-Y62 HydrophobicContact CE3-CG 3.95Å; W56-Y62 AromaticContact CZ3-CD2 3.99Å; W56-Y62 HydrophobicContact CZ3-CD2 3.99Å; W56-Y62 HydrophobicContact CZ3-CG 4.19Å; Y62-C64 WeakPolarHBondContact CE1-SG 3.45Å
63	Q	86.8	Confident	79	Confident	113 Å²	113	86.6 Å²	86.6	53%	0.528	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.1	-177.3	-175.2	66.9	13.9	0	0	109.1	C54 A55	C54-Q63 CarbonylContact C-O 3.59Å; C54-Q63 VanDerWaalsContact CA-O 3.26Å; C54-Q63 WeakPolarHBondContact CA-O 3.31Å; A55-Q63 PolarHBondContact N-O 2.86Å; A55-Q63 PolarHBondContact O-N 3.45Å
64	C	89.3	Confident	78.5	Confident	55 Å²	55	86.7 Å²	86.7	37%	0.372	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.9	172.1	-68.7	0	0	0	0	110.1	E53 C54 Y62	E53-C64 CarbonylContact O-C 3.57Å; E53-C64 WeakPolarHBondContact O-CA 3.21Å; C54-C64 HydrophobicContact CB-CB 4.13Å; C54-C64 WeakPolarHBondContact CB-SG 3.44Å; C54-C64 WeakPolarHBondContact SG-CB 3.31Å; C54-C64 CovalentContact SG-SG 2.05Å; C54-C64 PolarHBondContact SG-SG 3.22Å; Y62-C64 WeakPolarHBondContact CE1-SG 3.45Å
65	E	87.2	Confident	78.2	Confident	107 Å²	107	91 Å²	91	50%	0.5	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.9	177.5	-164.2	164.8	171.1	0	0	110.3	M52 E53	M52-E65 CarbonylContact C-O 3.54Å; M52-E65 VanDerWaalsContact CA-O 3.32Å; M52-E65 WeakPolarHBondContact CA-O 3.17Å; M52-E65 WeakPolarHBondContact CB-O 3.25Å; E53-E65 PolarHBondContact N-O 2.75Å; E53-E65 PolarHBondContact O-N 3.48Å
66	L	86.4	Confident	78	Confident	107 Å²	107	94.4 Å²	94.4	56%	0.56	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.7	-179.3	-149.4	148.5	0	0	0	108.5	W51 M52 R68	W51-L66 WeakPolarHBondContact O-CG 3.24Å; M52-L66 HydrophobicContact CB-CG 4.47Å; L66-R68 PolarHBondContact O-N 2.85Å
67	Y	82.4	Confident	78	Confident	36 Å²	36	89.3 Å²	89.3	14%	0.141	49%	0.492	C	S	.	.			trans	-65.7	98.6	-178.6	-58.6	-73.8	0	0	0	110.6	W51 E53 L73 L77	W51-Y67 WeakPolarHBondContact O-CD2 3.15Å; W51-Y67 PolarHBondContact O-N 2.88Å; E53-Y67 HydrophobicContact CB-CE1 4.25Å; E53-Y67 HydrophobicContact CG-CE1 4.03Å; Y67-L73 HydrophobicContact CD1-CD1 3.78Å; Y67-L73 HydrophobicContact CD2-CD1 4.36Å; Y67-L73 HydrophobicContact CE1-CD1 4.07Å; Y67-L73 HydrophobicContact CG-CD1 3.91Å; Y67-L77 HydrophobicContact CE2-CD2 4.33Å
68	R	69.5	Low	78.2	Confident	223 Å²	223	92.1 Å²	92.1	84%	0.842	51%	0.505	S	S	*	.			trans	-73.9	-26.7	-175.3	-69.7	-174.7	180	168.5	1.8	113.9	L66	L66-R68 PolarHBondContact O-N 2.85Å
69	S	69.7	Low	78.7	Confident	80 Å²	80	90.8 Å²	90.8	56%	0.559	50%	0.498	S	S	*	.			trans	-115	102.2	-176.9	-63.5	0	0	0	0	110.4	L71 A72	S69-L71 PolarHBondContact O-N 2.97Å; S69-A72 PolarHBondContact O-N 3.45Å
70	L	60.3	Low	79.2	Confident	109 Å²	109	86.3 Å²	86.3	57%	0.571	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-63.3	-26.1	176.2	-63.9	-179.8	0	0	0	112.7
71	L	59.6	Low	79.8	Confident	178 Å²	178	84.8 Å²	84.8	93%	0.932	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-77.7	-16.4	-176	-135	76.2	0	0	0	114.3	S69	S69-L71 PolarHBondContact O-N 2.97Å
72	A	58.3	Low	80.2	Confident	88 Å²	88	82.8 Å²	82.8	73%	0.727	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-101.1	5.1	-179.5	0	0	0	0	0	112.7	S69	S69-A72 PolarHBondContact O-N 3.45Å
73	L	70.1	Confident	80.5	Confident	22 Å²	22	79.7 Å²	79.7	12%	0.115	44%	0.439	C	S	.	.	S	Bend	trans	-89.2	142.3	-174.8	-159.9	77.7	0	0	0	110.7	Y67 L77 R81	Y67-L73 HydrophobicContact CD1-CD1 3.78Å; Y67-L73 HydrophobicContact CD2-CD1 4.36Å; Y67-L73 HydrophobicContact CE1-CD1 4.07Å; Y67-L73 HydrophobicContact CG-CD1 3.91Å; L73-L77 HydrophobicContact CD1-CD2 3.99Å; L73-L77 HydrophobicContact CD2-CB 4.01Å; L73-L77 HydrophobicContact CD2-CD2 3.72Å; L73-L77 HydrophobicContact CD2-CG 4.46Å; L73-L77 HydrophobicContact CG-CB 4.19Å; L73-L77 HydrophobicContact CG-CD2 4.03Å; L73-R81 VanDerWaalsContact CD2-NH2 3.29Å
74	P	77.7	Confident	80.9	Confident	71 Å²	71	74.3 Å²	74.3	46%	0.461	41%	0.413	S	S	.	.			trans	-55.6	139.1	174.9	17.4	-30.3	0	0	0	111.9	D76 L77 Q78	P74-D76 PolarHBondContact O-N 3.48Å; P74-L77 HydrophobicContact CG-CB 4.17Å; P74-L77 PolarHBondContact O-N 3.44Å; P74-L77 VanDerWaalsContact O-N 3.09Å; P74-Q78 PolarHBondContact O-N 3.18Å
75	P	80.6	Confident	81.2	Confident	93 Å²	93	74.3 Å²	74.3	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-59.8	-33.5	-173.7	23.9	-34	0	0	0	112.7	L77 Q78 A79	P75-L77 VanDerWaalsContact C-N 3.32Å; P75-L77 PolarHBondContact O-N 3.21Å; P75-Q78 PolarHBondContact O-N 3.42Å; P75-A79 PolarHBondContact O-N 2.92Å
76	D	82.8	Confident	81.7	Confident	83 Å²	83	73.8 Å²	73.8	44%	0.444	41%	0.411	S	S	.	.	H	α-helix	trans	-63.9	-38.3	179	-52.1	-41	0	0	0	111.8	P74 A79 A80	P74-D76 PolarHBondContact O-N 3.48Å; D76-A79 PolarHBondContact O-N 2.93Å; D76-A80 WeakPolarHBondContact O-CB 3.36Å; D76-A80 PolarHBondContact O-N 3.48Å
77	L	83.9	Confident	82.2	Confident	27 Å²	27	68.7 Å²	68.7	14%	0.141	39%	0.385	C	S	.	.	H	α-helix	trans	-71.2	-35.4	177.5	-143.9	104.3	0	0	0	111.3	Y67 L73 P74 P75 A80 R81	Y67-L77 HydrophobicContact CE2-CD2 4.33Å; L73-L77 HydrophobicContact CD1-CD2 3.99Å; L73-L77 HydrophobicContact CD2-CB 4.01Å; L73-L77 HydrophobicContact CD2-CD2 3.72Å; L73-L77 HydrophobicContact CD2-CG 4.46Å; L73-L77 HydrophobicContact CG-CB 4.19Å; L73-L77 HydrophobicContact CG-CD2 4.03Å; P74-L77 HydrophobicContact CG-CB 4.17Å; P74-L77 PolarHBondContact O-N 3.44Å; P74-L77 VanDerWaalsContact O-N 3.09Å; P75-L77 VanDerWaalsContact C-N 3.32Å; P75-L77 PolarHBondContact O-N 3.21Å; L77-A80 PolarHBondContact O-N 3.39Å; L77-R81 WeakPolarHBondContact O-CG 3.47Å; L77-R81 PolarHBondContact O-N 3.39Å
78	Q	88.1	Confident	82.8	Confident	111 Å²	111	68 Å²	68	52%	0.519	39%	0.386	S	S	.	.	H	α-helix	trans	-66.5	-41.4	174.9	-174.8	174.3	-15.6	0	0	111.4	P74 P75 R81 A82	P74-Q78 PolarHBondContact O-N 3.18Å; P75-Q78 PolarHBondContact O-N 3.42Å; Q78-R81 PolarHBondContact O-N 2.88Å; Q78-A82 PolarHBondContact O-N 2.97Å
79	A	88.9	Confident	84.2	Confident	49 Å²	49	61.8 Å²	61.8	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-61.8	-46.1	174.1	0	0	0	0	0	111.4	P75 D76 R81 A82 L83	P75-A79 PolarHBondContact O-N 2.92Å; D76-A79 PolarHBondContact O-N 2.93Å; A79-R81 PolarHBondContact O-N 3.39Å; A79-A82 PolarHBondContact O-N 2.81Å; A79-L83 WeakPolarHBondContact O-CG 3.37Å; A79-L83 PolarHBondContact O-N 2.88Å
80	A	90.8	Very high	85.4	Confident	7 Å²	7	59.2 Å²	59.2	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-41.8	176.7	0	0	0	0	0	112.5	L50 D76 L77 L83 M84 T135 T139	L50-A80 HydrophobicContact CD1-CB 4.07Å; D76-A80 WeakPolarHBondContact O-CB 3.36Å; D76-A80 PolarHBondContact O-N 3.48Å; L77-A80 PolarHBondContact O-N 3.39Å; A80-L83 PolarHBondContact O-N 3.23Å; A80-M84 WeakPolarHBondContact O-CG 3.38Å; A80-M84 PolarHBondContact O-N 3.26Å; A80-T135 HydrophobicContact CB-CG2 3.87Å; A80-T139 HydrophobicContact CB-CG2 3.99Å
81	R	92	Very high	87.2	Confident	17 Å²	17	54 Å²	54	6%	0.064	32%	0.322	C	S	.	.	H	α-helix	trans	-58.2	-49.2	172.9	-74.7	176.7	-173.5	-177.3	7.8	111.9	L50 L73 L77 Q78 A79 L83 M84 V85	L50-R81 HydrophobicContact CD2-CB 4.44Å; L50-R81 HydrophobicContact CD2-CG 3.93Å; L50-R81 HydrophobicContact CG-CG 3.7Å; L50-R81 PolarHBondContact O-NE 3.36Å; L50-R81 PolarHBondContact O-NH2 3.37Å; L73-R81 VanDerWaalsContact CD2-NH2 3.29Å; L77-R81 WeakPolarHBondContact O-CG 3.47Å; L77-R81 PolarHBondContact O-N 3.39Å; Q78-R81 PolarHBondContact O-N 2.88Å; A79-R81 PolarHBondContact O-N 3.39Å; R81-L83 PolarHBondContact O-N 3.25Å; R81-M84 PolarHBondContact O-N 3.3Å; R81-V85 WeakPolarHBondContact O-CB 3.31Å; R81-V85 VanDerWaalsContact O-CG2 3.25Å; R81-V85 WeakPolarHBondContact O-CG2 3.43Å; R81-V85 PolarHBondContact O-N 3Å
82	A	92.7	Very high	89	Confident	51 Å²	51	48.6 Å²	48.6	42%	0.421	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-46.2	-178.6	0	0	0	0	0	111.2	Q78 A79 V85 L86	Q78-A82 PolarHBondContact O-N 2.97Å; A79-A82 PolarHBondContact O-N 2.81Å; A82-V85 PolarHBondContact O-N 3.39Å; A82-L86 WeakPolarHBondContact O-CB 3.4Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.48Å; A82-L86 PolarHBondContact O-N 3.09Å
83	L	94.1	Very high	90.8	Very high	47 Å²	47	49.3 Å²	49.3	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-41	179.7	-66	172.7	0	0	0	112.9	A79 A80 R81 L86 S87 L131 T135	A79-L83 WeakPolarHBondContact O-CG 3.37Å; A79-L83 PolarHBondContact O-N 2.88Å; A80-L83 PolarHBondContact O-N 3.23Å; R81-L83 PolarHBondContact O-N 3.25Å; L83-L86 PolarHBondContact O-N 3.42Å; L83-S87 WeakPolarHBondContact O-CB 3.21Å; L83-S87 PolarHBondContact O-N 3.2Å; L83-L131 HydrophobicContact CD2-CD2 4.31Å; L83-T135 HydrophobicContact CB-CG2 4.23Å; L83-T135 WeakPolarHBondContact CB-OG1 3.02Å
84	M	95.1	Very high	92.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-41.6	175.1	-70.5	-61.7	-70.7	0	0	112	T21 T24 T25 W30 L50 A80 R81 S87 C88 T135	T21-M84 HydrophobicContact CG2-CE 3.81Å; T24-M84 HydrophobicContact CG2-CE 4.04Å; T25-M84 HydrophobicContact CG2-CB 4.33Å; T25-M84 WeakPolarHBondContact OG1-CE 3.21Å; W30-M84 HydrophobicContact CH2-CE 4.07Å; W30-M84 HydrophobicContact CH2-CG 3.94Å; W30-M84 HydrophobicContact CH2-SD 3.87Å; W30-M84 HydrophobicContact CZ2-CE 3.98Å; W30-M84 HydrophobicContact CZ2-CG 4.24Å; W30-M84 HydrophobicContact CZ2-SD 4.34Å; L50-M84 HydrophobicContact CD2-CB 4.09Å; L50-M84 HydrophobicContact CD2-CG 3.92Å; A80-M84 WeakPolarHBondContact O-CG 3.38Å; A80-M84 PolarHBondContact O-N 3.26Å; R81-M84 PolarHBondContact O-N 3.3Å; M84-S87 WeakPolarHBondContact O-CB 3.38Å; M84-S87 PolarHBondContact O-N 3.23Å; M84-C88 PolarHBondContact O-N 3.36Å; M84-T135 HydrophobicContact CG-CG2 3.74Å; M84-T135 HydrophobicContact SD-CG2 3.96Å
85	V	95.8	Very high	92.9	Very high	55 Å²	55	45.9 Å²	45.9	33%	0.333	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-43.1	176.3	171.5	0	0	0	0	111	W51 R81 A82 S87 C88 I89	W51-V85 HydrophobicContact CH2-CG2 4.24Å; W51-V85 HydrophobicContact CZ2-CG2 3.9Å; R81-V85 WeakPolarHBondContact O-CB 3.31Å; R81-V85 VanDerWaalsContact O-CG2 3.25Å; R81-V85 WeakPolarHBondContact O-CG2 3.43Å; R81-V85 PolarHBondContact O-N 3Å; A82-V85 PolarHBondContact O-N 3.39Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 3.3Å; V85-C88 PolarHBondContact O-N 2.94Å; V85-I89 HydrophobicContact CG1-CD1 3.82Å; V85-I89 HydrophobicContact CG1-CG1 4.41Å; V85-I89 WeakPolarHBondContact O-CG1 3.46Å; V85-I89 PolarHBondContact O-N 3.44Å
86	L	96.3	Very high	93.6	Very high	95 Å²	95	46.4 Å²	46.4	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-38.9	174.9	-72.3	172.6	0	0	0	112	A82 L83 I89 S90	A82-L86 WeakPolarHBondContact O-CB 3.4Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.48Å; A82-L86 PolarHBondContact O-N 3.09Å; L83-L86 PolarHBondContact O-N 3.42Å; L86-I89 PolarHBondContact O-N 3.38Å; L86-S90 VanDerWaalsContact O-CB 3.31Å; L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 2.96Å; L86-S90 PolarHBondContact O-OG 3.02Å
87	S	96.8	Very high	94.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-43	173	179.4	0	0	0	0	111.9	L83 M84 V85 S90 S91 A128	L83-S87 WeakPolarHBondContact O-CB 3.21Å; L83-S87 PolarHBondContact O-N 3.2Å; M84-S87 WeakPolarHBondContact O-CB 3.38Å; M84-S87 PolarHBondContact O-N 3.23Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 3.3Å; S87-S90 WeakPolarHBondContact CA-OG 3.39Å; S87-S90 PolarHBondContact O-OG 3.37Å; S87-S91 WeakPolarHBondContact O-CB 3.35Å; S87-S91 PolarHBondContact O-N 3.26Å; S87-S91 PolarHBondContact O-OG 3.07Å; S87-A128 PolarHBondContact OG-O 3.39Å
88	C	96.6	Very high	94.5	Very high	23 Å²	23	43.2 Å²	43.2	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-48.4	175.2	-77	0	0	0	0	112.4	F18 M84 V85 S90 S91 V92	F18-C88 HydrophobicContact CE2-CB 4.49Å; M84-C88 PolarHBondContact O-N 3.36Å; V85-C88 PolarHBondContact O-N 2.94Å; C88-S90 PolarHBondContact O-N 2.94Å; C88-S91 WeakPolarHBondContact O-CB 3.43Å; C88-S91 PolarHBondContact O-N 2.95Å; C88-V92 WeakPolarHBondContact O-CG2 3.45Å; C88-V92 PolarHBondContact O-N 2.93Å
89	I	97.4	Very high	94.7	Very high	91 Å²	91	40.6 Å²	40.6	47%	0.467	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-45.8	179.5	-66.7	168.6	0	0	0	110.5	V85 L86 S91 V92 L93	V85-I89 HydrophobicContact CG1-CD1 3.82Å; V85-I89 HydrophobicContact CG1-CG1 4.41Å; V85-I89 WeakPolarHBondContact O-CG1 3.46Å; V85-I89 PolarHBondContact O-N 3.44Å; L86-I89 PolarHBondContact O-N 3.38Å; I89-S91 VanDerWaalsContact C-N 3.33Å; I89-S91 PolarHBondContact O-N 2.98Å; I89-V92 PolarHBondContact O-N 3.25Å; I89-L93 HydrophobicContact CG2-CD1 4.12Å; I89-L93 WeakPolarHBondContact O-CG 3.38Å; I89-L93 PolarHBondContact O-N 3.16Å
90	S	95.9	Very high	94.7	Very high	26 Å²	26	42.2 Å²	42.2	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-37.6	177.5	55	0	0	0	0	112.4	L86 S87 C88 L93 A94 A128	L86-S90 VanDerWaalsContact O-CB 3.31Å; L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 2.96Å; L86-S90 PolarHBondContact O-OG 3.02Å; S87-S90 WeakPolarHBondContact CA-OG 3.39Å; S87-S90 PolarHBondContact O-OG 3.37Å; C88-S90 PolarHBondContact O-N 2.94Å; S90-L93 PolarHBondContact O-N 3.49Å; S90-A94 WeakPolarHBondContact O-CB 3.45Å; S90-A94 PolarHBondContact O-N 3.25Å; S90-A128 VanDerWaalsContact OG-CB 3.28Å; S90-A128 WeakPolarHBondContact OG-CB 3.34Å
91	S	97.1	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-40.6	173.6	-62.1	0	0	0	0	113	S87 C88 I89 A94 S95 A128	S87-S91 WeakPolarHBondContact O-CB 3.35Å; S87-S91 PolarHBondContact O-N 3.26Å; S87-S91 PolarHBondContact O-OG 3.07Å; C88-S91 WeakPolarHBondContact O-CB 3.43Å; C88-S91 PolarHBondContact O-N 2.95Å; I89-S91 VanDerWaalsContact C-N 3.33Å; I89-S91 PolarHBondContact O-N 2.98Å; S91-A94 PolarHBondContact O-N 3.47Å; S91-S95 WeakPolarHBondContact O-CB 3.5Å; S91-S95 PolarHBondContact O-N 2.95Å; S91-S95 PolarHBondContact O-OG 2.81Å; S91-A128 WeakPolarHBondContact OG-CB 3.43Å
92	V	97.5	Very high	94.2	Very high	64 Å²	64	41.8 Å²	41.8	39%	0.388	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-49.1	176.3	172.3	0	0	0	0	110.2	F18 C88 I89 A94 S95 L96	F18-V92 HydrophobicContact CE1-CG2 4.24Å; F18-V92 HydrophobicContact CE2-CG2 3.73Å; F18-V92 HydrophobicContact CZ-CG2 3.35Å; C88-V92 WeakPolarHBondContact O-CG2 3.45Å; C88-V92 PolarHBondContact O-N 2.93Å; I89-V92 PolarHBondContact O-N 3.25Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.22Å; V92-S95 WeakPolarHBondContact O-CB 3.3Å; V92-S95 PolarHBondContact O-N 2.95Å; V92-L96 HydrophobicContact CG1-CD1 4.29Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 2.95Å
93	L	96.9	Very high	93.3	Very high	104 Å²	104	43.4 Å²	43.4	55%	0.545	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-43.9	177.4	-67.4	174.6	0	0	0	111.5	I89 S90 S95 L96 V97	I89-L93 HydrophobicContact CG2-CD1 4.12Å; I89-L93 WeakPolarHBondContact O-CG 3.38Å; I89-L93 PolarHBondContact O-N 3.16Å; S90-L93 PolarHBondContact O-N 3.49Å; L93-S95 VanDerWaalsContact C-N 3.33Å; L93-S95 PolarHBondContact O-N 2.92Å; L93-L96 PolarHBondContact O-N 3.45Å; L93-V97 WeakPolarHBondContact O-CB 3.33Å; L93-V97 VanDerWaalsContact O-CG2 3.27Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.38Å
94	A	96.3	Very high	92.3	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-42.3	175.7	0	0	0	0	0	112.1	S90 S91 V92 V97 A98 F125	S90-A94 WeakPolarHBondContact O-CB 3.45Å; S90-A94 PolarHBondContact O-N 3.25Å; S91-A94 PolarHBondContact O-N 3.47Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.22Å; A94-V97 PolarHBondContact O-N 3.05Å; A94-A98 WeakPolarHBondContact O-CB 3.26Å; A94-A98 PolarHBondContact O-N 2.97Å; A94-F125 HydrophobicContact CB-CD1 4.44Å; A94-F125 HydrophobicContact CB-CD2 3.89Å; A94-F125 HydrophobicContact CB-CE2 4.15Å; A94-F125 HydrophobicContact CB-CG 4.05Å
95	S	95.4	Very high	91.4	Very high	15 Å²	15	46.9 Å²	46.9	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-48	177.4	-60.4	0	0	0	0	111.7	S91 V92 L93 V97 A98 V99 F125	S91-S95 WeakPolarHBondContact O-CB 3.5Å; S91-S95 PolarHBondContact O-N 2.95Å; S91-S95 PolarHBondContact O-OG 2.81Å; V92-S95 WeakPolarHBondContact O-CB 3.3Å; V92-S95 PolarHBondContact O-N 2.95Å; L93-S95 VanDerWaalsContact C-N 3.33Å; L93-S95 PolarHBondContact O-N 2.92Å; S95-V97 PolarHBondContact O-N 3.11Å; S95-A98 PolarHBondContact O-N 2.95Å; S95-V99 VanDerWaalsContact O-CG2 3.27Å; S95-V99 WeakPolarHBondContact O-CG2 3.25Å; S95-V99 PolarHBondContact O-N 3.17Å; S95-F125 WeakPolarHBondContact OG-CZ 3.28Å
96	L	95.1	Very high	90.2	Very high	105 Å²	105	52 Å²	52	55%	0.55	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-47.2	178.5	-67	173.8	0	0	0	111.3	V92 L93 A98 V99 M100	V92-L96 HydrophobicContact CG1-CD1 4.29Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 2.95Å; L93-L96 PolarHBondContact O-N 3.45Å; L96-A98 PolarHBondContact O-N 2.92Å; L96-V99 PolarHBondContact O-N 3.4Å; L96-M100 WeakPolarHBondContact O-CG 3.45Å; L96-M100 PolarHBondContact O-N 2.87Å; L96-M100 VanDerWaalsContact O-N 3.08Å
97	V	93.3	Very high	88.3	Confident	41 Å²	41	53.9 Å²	53.9	25%	0.248	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-42.7	177.9	171.8	0	0	0	0	111.2	L93 A94 S95 M100 G101 L117 I120	L93-V97 WeakPolarHBondContact O-CB 3.33Å; L93-V97 VanDerWaalsContact O-CG2 3.27Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.38Å; A94-V97 PolarHBondContact O-N 3.05Å; S95-V97 PolarHBondContact O-N 3.11Å; V97-M100 PolarHBondContact O-N 3.39Å; V97-G101 PolarHBondContact O-N 3.4Å; V97-G101 VanDerWaalsContact O-N 3.14Å; V97-L117 HydrophobicContact CG1-CD2 4.11Å; V97-L117 VanDerWaalsContact CG1-O 3.31Å; V97-L117 WeakPolarHBondContact CG1-O 3.44Å; V97-I120 HydrophobicContact CG1-CB 4.11Å; V97-I120 HydrophobicContact CG1-CG2 4Å
98	A	92.2	Very high	86.4	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-45.1	176.9	0	0	0	0	0	111.5	F11 A94 S95 L96 M100 G101 M102 F125	F11-A98 HydrophobicContact CD2-CB 3.97Å; F11-A98 HydrophobicContact CE2-CB 4.16Å; A94-A98 WeakPolarHBondContact O-CB 3.26Å; A94-A98 PolarHBondContact O-N 2.97Å; S95-A98 PolarHBondContact O-N 2.95Å; L96-A98 PolarHBondContact O-N 2.92Å; A98-M100 VanDerWaalsContact C-N 3.33Å; A98-M100 PolarHBondContact O-N 3.03Å; A98-G101 PolarHBondContact O-N 3.27Å; A98-M102 WeakPolarHBondContact O-CG 3.5Å; A98-M102 PolarHBondContact O-N 2.99Å; A98-F125 HydrophobicContact CB-CE2 4.31Å
99	V	91.8	Very high	84.4	Confident	56 Å²	56	63.7 Å²	63.7	34%	0.339	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-42.1	177	172.1	0	0	0	0	111.7	F11 S95 L96 G101 M102 T105	F11-V99 HydrophobicContact CE1-CG2 4.44Å; F11-V99 HydrophobicContact CE2-CG2 3.66Å; F11-V99 HydrophobicContact CZ-CG2 3.48Å; F11-V99 VanDerWaalsContact CZ-CG2 3.48Å; S95-V99 VanDerWaalsContact O-CG2 3.27Å; S95-V99 WeakPolarHBondContact O-CG2 3.25Å; S95-V99 PolarHBondContact O-N 3.17Å; L96-V99 PolarHBondContact O-N 3.4Å; V99-G101 VanDerWaalsContact C-N 3.27Å; V99-G101 PolarHBondContact O-N 3.44Å; V99-M102 HydrophobicContact CB-CE 4.2Å; V99-M102 HydrophobicContact CG2-CE 3.76Å; V99-M102 PolarHBondContact O-N 3.29Å; V99-T105 VanDerWaalsContact O-CB 3.3Å; V99-T105 WeakPolarHBondContact O-CB 3.44Å; V99-T105 PolarHBondContact O-OG1 3.25Å
100	M	89.8	Confident	82.4	Confident	84 Å²	84	68.7 Å²	68.7	41%	0.414	35%	0.352	S	S	.	.	H	α-helix	trans	-65.9	-28.4	176.1	-66.7	-179.9	78.9	0	0	113.2	L96 V97 A98 F107 L117	L96-M100 WeakPolarHBondContact O-CG 3.45Å; L96-M100 PolarHBondContact O-N 2.87Å; L96-M100 VanDerWaalsContact O-N 3.08Å; V97-M100 PolarHBondContact O-N 3.39Å; A98-M100 VanDerWaalsContact C-N 3.33Å; A98-M100 PolarHBondContact O-N 3.03Å; M100-F107 HydrophobicContact CE-CD1 3.76Å; M100-F107 HydrophobicContact CE-CE1 3.82Å; M100-L117 HydrophobicContact CB-CD2 4.43Å
101	G	85.7	Confident	81	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-85	-23	179.5	0	0	0	0	0	115.3	V97 A98 V99 V118	V97-G101 PolarHBondContact O-N 3.4Å; V97-G101 VanDerWaalsContact O-N 3.14Å; A98-G101 PolarHBondContact O-N 3.27Å; V99-G101 VanDerWaalsContact C-N 3.27Å; V99-G101 PolarHBondContact O-N 3.44Å; G101-V118 WeakPolarHBondContact O-CG2 3.09Å
102	M	85.7	Confident	79.8	Confident	15 Å²	15	75.5 Å²	75.5	7%	0.074	40%	0.395	C	S	.	.	S	Bend	trans	-64.4	150.1	-176.4	-78.4	-167.4	-73.4	0	0	113	F11 A98 V99 C104 T105	F11-M102 HydrophobicContact CB-SD 4.03Å; F11-M102 HydrophobicContact CD1-CE 3.83Å; F11-M102 HydrophobicContact CD1-SD 4.24Å; F11-M102 HydrophobicContact CD2-CE 3.82Å; F11-M102 HydrophobicContact CD2-SD 4.31Å; F11-M102 HydrophobicContact CE1-CE 3.91Å; F11-M102 HydrophobicContact CE2-CE 3.91Å; F11-M102 HydrophobicContact CG-CE 3.78Å; F11-M102 HydrophobicContact CG-SD 3.92Å; F11-M102 HydrophobicContact CZ-CE 3.95Å; A98-M102 WeakPolarHBondContact O-CG 3.5Å; A98-M102 PolarHBondContact O-N 2.99Å; V99-M102 HydrophobicContact CB-CE 4.2Å; V99-M102 HydrophobicContact CG2-CE 3.76Å; V99-M102 PolarHBondContact O-N 3.29Å; M102-C104 VanDerWaalsContact C-N 3.26Å; M102-C104 PolarHBondContact O-N 3.47Å; M102-T105 PolarHBondContact O-N 3.47Å
103	K	75.1	Confident	78.9	Confident	84 Å²	84	75.5 Å²	75.5	37%	0.365	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.9	-179.8	-70.3	177.7	-178.9	167.4	0	113.5	S3 T105	S3-K103 PolarHBondContact OG-NZ 3.35Å; K103-T105 PolarHBondContact O-N 2.89Å
104	C	72.8	Confident	78.1	Confident	85 Å²	85	72 Å²	72	57%	0.574	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.7	-179.6	-45.9	0	0	0	0	112.5	M102	M102-C104 VanDerWaalsContact C-N 3.26Å; M102-C104 PolarHBondContact O-N 3.47Å
105	T	76.4	Confident	77.5	Confident	35 Å²	35	72.2 Å²	72.2	22%	0.215	38%	0.377	C	S	.	.			trans	-96.2	116.6	-176.1	-44.1	0	0	0	0	109.9	V99 M102 K103 F107 K114	V99-T105 VanDerWaalsContact O-CB 3.3Å; V99-T105 WeakPolarHBondContact O-CB 3.44Å; V99-T105 PolarHBondContact O-OG1 3.25Å; M102-T105 PolarHBondContact O-N 3.47Å; K103-T105 PolarHBondContact O-N 2.89Å; T105-F107 HydrophobicContact CG2-CB 3.95Å; T105-F107 PolarHBondContact O-N 3.05Å; T105-K114 PolarHBondContact O-NZ 3.47Å; T105-K114 VanDerWaalsContact O-NZ 3.1Å
106	H	69.9	Low	77.1	Confident	164 Å²	164	74.4 Å²	74.4	76%	0.759	39%	0.391	S	S	*	.			trans	-79.1	39.6	174.6	-162.6	-87	0	0	0	111.8
107	F	57.7	Low	76.9	Confident	133 Å²	133	71.6 Å²	71.6	58%	0.583	38%	0.376	S	S	*	.			trans	-94.8	126.9	169.7	-133.8	-106.1	0	0	0	107.4	M100 T105 K114	M100-F107 HydrophobicContact CE-CD1 3.76Å; M100-F107 HydrophobicContact CE-CE1 3.82Å; T105-F107 HydrophobicContact CG2-CB 3.95Å; T105-F107 PolarHBondContact O-N 3.05Å; F107-K114 VanDerWaalsContact O-CE 3.26Å; F107-K114 WeakPolarHBondContact O-CE 3.24Å; F107-K114 PolarHBondContact O-NZ 3.25Å
108	A	55.1	Low	76.8	Confident	52 Å²	52	69.8 Å²	69.8	43%	0.43	37%	0.365	S	S	.	.			trans	60.5	106.1	-176.5	0	0	0	0	0	116.3	R110 V113 K114	A108-R110 PolarHBondContact O-N 2.92Å; A108-R110 VanDerWaalsContact O-N 3.14Å; A108-V113 HydrophobicContact CB-CG2 4.35Å; A108-K114 WeakPolarHBondContact O-CE 3.42Å; A108-K114 PolarHBondContact O-NZ 3.25Å
109	Q	56.2	Low	76.8	Confident	178 Å²	178	73.4 Å²	73.4	83%	0.832	38%	0.384	S	S	*	.	S	Bend	trans	-62.2	-12.4	169.6	-95.6	166.6	-31.8	0	0	113.9	S111	Q109-S111 PolarHBondContact O-N 3.45Å; Q109-S111 VanDerWaalsContact O-N 3.11Å
110	R	55.3	Low	76.9	Confident	196 Å²	196	75.9 Å²	75.9	74%	0.74	39%	0.394	S	S	*	.			trans	-77	100.8	178.2	-84	178.7	178.8	176.7	-0.3	111.5	A108 V112 V113	A108-R110 PolarHBondContact O-N 2.92Å; A108-R110 VanDerWaalsContact O-N 3.14Å; R110-V112 HydrophobicContact CB-CG2 4.36Å; R110-V112 PolarHBondContact O-N 2.87Å; R110-V113 HydrophobicContact CB-CG2 4.48Å; R110-V113 WeakPolarHBondContact O-CG2 3.47Å; R110-V113 PolarHBondContact O-N 2.75Å
111	S	66.9	Low	77.1	Confident	67 Å²	67	71.9 Å²	71.9	47%	0.469	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-22.8	177.3	-157.8	0	0	0	0	114.5	Q109 R192	Q109-S111 PolarHBondContact O-N 3.45Å; Q109-S111 VanDerWaalsContact O-N 3.11Å; S111-R192 VanDerWaalsContact O-CZ 3.26Å; S111-R192 PolarHBondContact O-NH1 3.37Å; S111-R192 PolarHBondContact O-NH2 3.03Å; S111-R192 PolarHBondContact OG-NH2 2.86Å
112	V	70.6	Confident	77.6	Confident	102 Å²	102	71.9 Å²	71.9	62%	0.618	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-32.4	-174.5	-64.2	0	0	0	0	114.4	R110 P116	R110-V112 HydrophobicContact CB-CG2 4.36Å; R110-V112 PolarHBondContact O-N 2.87Å; V112-P116 WeakPolarHBondContact O-CD 3.32Å
113	V	78.9	Confident	78.1	Confident	64 Å²	64	74.4 Å²	74.4	39%	0.388	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-17.8	-176	-64.3	0	0	0	0	114	A108 R110 S115 P116 L117	A108-V113 HydrophobicContact CB-CG2 4.35Å; R110-V113 HydrophobicContact CB-CG2 4.48Å; R110-V113 WeakPolarHBondContact O-CG2 3.47Å; R110-V113 PolarHBondContact O-N 2.75Å; V113-S115 PolarHBondContact O-N 3.14Å; V113-P116 WeakPolarHBondContact O-CD 3.45Å; V113-P116 VanDerWaalsContact O-CG 3.25Å; V113-P116 WeakPolarHBondContact O-CG 3.22Å; V113-L117 HydrophobicContact CB-CD1 4.43Å; V113-L117 HydrophobicContact CG2-CD1 4.45Å; V113-L117 VanDerWaalsContact O-CD1 3.31Å; V113-L117 WeakPolarHBondContact O-CD1 3.28Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 2.93Å
114	K	79.9	Confident	79.1	Confident	29 Å²	29	71.3 Å²	71.3	13%	0.126	38%	0.382	C	S	.	.	H	α-helix	trans	-67.9	-32.9	-176.1	-61.2	-164	178.2	-160.5	0	113.9	T105 F107 A108 V118	T105-K114 PolarHBondContact O-NZ 3.47Å; T105-K114 VanDerWaalsContact O-NZ 3.1Å; F107-K114 VanDerWaalsContact O-CE 3.26Å; F107-K114 WeakPolarHBondContact O-CE 3.24Å; F107-K114 PolarHBondContact O-NZ 3.25Å; A108-K114 WeakPolarHBondContact O-CE 3.42Å; A108-K114 PolarHBondContact O-NZ 3.25Å; K114-V118 WeakPolarHBondContact O-CG2 3.35Å; K114-V118 PolarHBondContact O-N 3.41Å
115	S	83.2	Confident	80.3	Confident	10 Å²	10	67.2 Å²	67.2	7%	0.07	36%	0.355	C	S	.	.	H	α-helix	trans	-66.4	-51.5	179.4	-141.9	0	0	0	0	112.8	V113 L117 V118 L119 S189	V113-S115 PolarHBondContact O-N 3.14Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 2.92Å; S115-V118 PolarHBondContact O-N 2.9Å; S115-L119 PolarHBondContact O-N 3.48Å; S115-S189 PolarHBondContact OG-OG 3.41Å
116	P	87.9	Confident	81.3	Confident	62 Å²	62	67.1 Å²	67.1	40%	0.403	35%	0.353	S	S	.	.	H	α-helix	trans	-66.1	-33.2	177.8	23.9	-33.3	0	0	0	113	V112 V113 V118 L119 I120	V112-P116 WeakPolarHBondContact O-CD 3.32Å; V113-P116 WeakPolarHBondContact O-CD 3.45Å; V113-P116 VanDerWaalsContact O-CG 3.25Å; V113-P116 WeakPolarHBondContact O-CG 3.22Å; P116-V118 PolarHBondContact O-N 3.42Å; P116-L119 PolarHBondContact O-N 2.86Å; P116-I120 WeakPolarHBondContact O-CD1 3.32Å; P116-I120 VanDerWaalsContact O-CG1 3.22Å; P116-I120 WeakPolarHBondContact O-CG1 3.4Å; P116-I120 PolarHBondContact O-N 3.32Å
117	L	90.3	Very high	82.6	Confident	46 Å²	46	62.3 Å²	62.3	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-57.7	-47.9	174.3	-84	155.9	0	0	0	112.4	V97 M100 V113 S115 L119 I120 G121	V97-L117 HydrophobicContact CG1-CD2 4.11Å; V97-L117 VanDerWaalsContact CG1-O 3.31Å; V97-L117 WeakPolarHBondContact CG1-O 3.44Å; M100-L117 HydrophobicContact CB-CD2 4.43Å; V113-L117 HydrophobicContact CB-CD1 4.43Å; V113-L117 HydrophobicContact CG2-CD1 4.45Å; V113-L117 VanDerWaalsContact O-CD1 3.31Å; V113-L117 WeakPolarHBondContact O-CD1 3.28Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 2.93Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 2.92Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.43Å; L117-I120 PolarHBondContact O-N 3.02Å; L117-G121 PolarHBondContact O-N 2.92Å
118	V	90.9	Very high	84.5	Confident	2 Å²	2	56 Å²	56	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-39	177	176.7	0	0	0	0	111.4	G101 K114 S115 P116 G121 G122 L181	G101-V118 WeakPolarHBondContact O-CG2 3.09Å; K114-V118 WeakPolarHBondContact O-CG2 3.35Å; K114-V118 PolarHBondContact O-N 3.41Å; S115-V118 PolarHBondContact O-N 2.9Å; P116-V118 PolarHBondContact O-N 3.42Å; V118-G121 PolarHBondContact O-N 3.42Å; V118-G122 PolarHBondContact O-N 3.26Å; V118-L181 HydrophobicContact CG1-CD2 4.33Å
119	L	92.4	Very high	86.5	Confident	78 Å²	78	53.5 Å²	53.5	41%	0.408	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-45.8	177.6	-178.9	65.3	0	0	0	111.6	S115 P116 L117 G121 G122 V123 C182 S185	S115-L119 PolarHBondContact O-N 3.48Å; P116-L119 PolarHBondContact O-N 2.86Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.43Å; L119-G121 VanDerWaalsContact C-N 3.34Å; L119-G121 PolarHBondContact O-N 3.46Å; L119-G122 PolarHBondContact O-N 3.33Å; L119-V123 WeakPolarHBondContact O-CG2 3.26Å; L119-V123 PolarHBondContact O-N 3.07Å; L119-C182 HydrophobicContact CD1-CB 4.29Å; L119-S185 WeakPolarHBondContact CD1-OG 3.07Å
120	I	94.5	Very high	88.5	Confident	107 Å²	107	49.4 Å²	49.4	55%	0.549	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-42.8	177.3	-65.4	162.5	0	0	0	110.4	V97 P116 L117 V123 G124	V97-I120 HydrophobicContact CG1-CB 4.11Å; V97-I120 HydrophobicContact CG1-CG2 4Å; P116-I120 WeakPolarHBondContact O-CD1 3.32Å; P116-I120 VanDerWaalsContact O-CG1 3.22Å; P116-I120 WeakPolarHBondContact O-CG1 3.4Å; P116-I120 PolarHBondContact O-N 3.32Å; L117-I120 PolarHBondContact O-N 3.02Å; I120-V123 PolarHBondContact O-N 3.41Å; I120-G124 PolarHBondContact O-N 3.23Å
121	G	94.3	Very high	90.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-44.1	174.7	0	0	0	0	0	112.6	L117 V118 L119 G124 F125	L117-G121 PolarHBondContact O-N 2.92Å; V118-G121 PolarHBondContact O-N 3.42Å; L119-G121 VanDerWaalsContact C-N 3.34Å; L119-G121 PolarHBondContact O-N 3.46Å; G121-G124 PolarHBondContact O-N 3.16Å; G121-F125 WeakPolarHBondContact O-CD2 3.44Å; G121-F125 PolarHBondContact O-N 2.97Å
122	G	95.2	Very high	91.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-44.7	175.8	0	0	0	0	0	113.2	V118 L119 G124 F125 L126 G178	V118-G122 PolarHBondContact O-N 3.26Å; L119-G122 PolarHBondContact O-N 3.33Å; G122-G124 VanDerWaalsContact C-N 3.31Å; G122-G124 PolarHBondContact O-N 2.7Å; G122-F125 PolarHBondContact O-N 2.97Å; G122-L126 WeakPolarHBondContact O-CG 3.15Å; G122-L126 PolarHBondContact O-N 2.86Å; G122-G178 WeakPolarHBondContact O-CA 3.4Å
123	V	96.8	Very high	93.2	Very high	68 Å²	68	36.8 Å²	36.8	41%	0.412	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-39.1	174.1	175	0	0	0	0	111.1	L119 I120 F125 L126 C127	L119-V123 WeakPolarHBondContact O-CG2 3.26Å; L119-V123 PolarHBondContact O-N 3.07Å; I120-V123 PolarHBondContact O-N 3.41Å; V123-F125 PolarHBondContact O-N 2.85Å; V123-L126 WeakPolarHBondContact O-CB 3.19Å; V123-L126 PolarHBondContact O-N 3.41Å; V123-C127 PolarHBondContact O-N 3.47Å; V123-C127 PolarHBondContact O-SG 3.37Å; V123-C127 VanDerWaalsContact O-SG 3.38Å
124	G	97	Very high	94	Very high	19 Å²	19	37.7 Å²	37.7	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-45.6	174	0	0	0	0	0	112.9	I120 G121 G122 L126 C127 A128	I120-G124 PolarHBondContact O-N 3.23Å; G121-G124 PolarHBondContact O-N 3.16Å; G122-G124 VanDerWaalsContact C-N 3.31Å; G122-G124 PolarHBondContact O-N 2.7Å; G124-L126 VanDerWaalsContact C-N 3.33Å; G124-L126 PolarHBondContact O-N 3.47Å; G124-C127 PolarHBondContact O-N 3.1Å; G124-A128 WeakPolarHBondContact O-CB 3.27Å; G124-A128 PolarHBondContact O-N 2.89Å
125	F	97.2	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-34	175.2	-85.6	-67.1	0	0	0	113.3	G14 A94 S95 A98 G121 G122 V123 G129 S174 L181	G14-F125 WeakPolarHBondContact O-CE1 3.41Å; A94-F125 HydrophobicContact CB-CD1 4.44Å; A94-F125 HydrophobicContact CB-CD2 3.89Å; A94-F125 HydrophobicContact CB-CE2 4.15Å; A94-F125 HydrophobicContact CB-CG 4.05Å; S95-F125 WeakPolarHBondContact OG-CZ 3.28Å; A98-F125 HydrophobicContact CB-CE2 4.31Å; G121-F125 WeakPolarHBondContact O-CD2 3.44Å; G121-F125 PolarHBondContact O-N 2.97Å; G122-F125 PolarHBondContact O-N 2.97Å; V123-F125 PolarHBondContact O-N 2.85Å; F125-G129 PolarHBondContact O-N 3.3Å; F125-S174 PolarHBondContact O-OG 3.29Å; F125-L181 HydrophobicContact CD2-CD1 3.98Å; F125-L181 HydrophobicContact CE2-CD1 4.37Å
126	L	97.8	Very high	95.2	Very high	32 Å²	32	35.9 Å²	35.9	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-51	172.7	-70.8	169.8	0	0	0	111	G122 V123 G124 A128 G129 L130 V175 L179	G122-L126 WeakPolarHBondContact O-CG 3.15Å; G122-L126 PolarHBondContact O-N 2.86Å; V123-L126 WeakPolarHBondContact O-CB 3.19Å; V123-L126 PolarHBondContact O-N 3.41Å; G124-L126 VanDerWaalsContact C-N 3.33Å; G124-L126 PolarHBondContact O-N 3.47Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 2.81Å; L126-G129 PolarHBondContact O-N 2.89Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 2.96Å; L126-V175 HydrophobicContact CD2-CB 4.42Å; L126-V175 HydrophobicContact CD2-CG1 3.91Å; L126-V175 VanDerWaalsContact CD2-O 3.26Å; L126-V175 WeakPolarHBondContact CD2-O 3.38Å; L126-L179 HydrophobicContact CD1-CD2 4.24Å; L126-L179 HydrophobicContact CD2-CD2 3.84Å; L126-L179 HydrophobicContact CD2-CG 3.77Å
127	C	97.6	Very high	95.6	Very high	63 Å²	63	35 Å²	35	43%	0.426	20%	0.202	S	C	.	.	H	α-helix	trans	-60.2	-44.3	178.1	-68.3	0	0	0	0	111.5	V123 G124 L130 L131	V123-C127 PolarHBondContact O-N 3.47Å; V123-C127 PolarHBondContact O-SG 3.37Å; V123-C127 VanDerWaalsContact O-SG 3.38Å; G124-C127 PolarHBondContact O-N 3.1Å; C127-L130 PolarHBondContact O-N 2.9Å; C127-L131 VanDerWaalsContact O-CG 3.32Å; C127-L131 WeakPolarHBondContact O-CG 3.35Å; C127-L131 PolarHBondContact O-N 3.41Å
128	A	97.6	Very high	95.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-46	177.8	0	0	0	0	0	112.4	S87 S90 S91 G124 L126 L130 L131 C132	S87-A128 PolarHBondContact OG-O 3.39Å; S90-A128 VanDerWaalsContact OG-CB 3.28Å; S90-A128 WeakPolarHBondContact OG-CB 3.34Å; S91-A128 WeakPolarHBondContact OG-CB 3.43Å; G124-A128 WeakPolarHBondContact O-CB 3.27Å; G124-A128 PolarHBondContact O-N 2.89Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 2.81Å; A128-L130 PolarHBondContact O-N 2.9Å; A128-L131 PolarHBondContact O-N 3.28Å; A128-C132 PolarHBondContact O-N 3.46Å; A128-C132 VanDerWaalsContact O-N 3.1Å
129	G	97.1	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-40.1	176.8	0	0	0	0	0	112.7	F125 L126 C132 L133 S171	F125-G129 PolarHBondContact O-N 3.3Å; L126-G129 PolarHBondContact O-N 2.89Å; G129-C132 PolarHBondContact O-N 3.03Å; G129-L133 WeakPolarHBondContact O-CB 3.44Å; G129-L133 PolarHBondContact O-N 3.43Å; G129-S171 WeakPolarHBondContact O-CB 3.26Å
130	L	97.7	Very high	95.7	Very high	92 Å²	92	37.1 Å²	37.1	48%	0.482	20%	0.204	S	C	.	.	H	α-helix	trans	-66.4	-41.2	176	-71.9	172.8	0	0	0	112.4	L126 C127 A128 C132 L133 V134	L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 2.96Å; C127-L130 PolarHBondContact O-N 2.9Å; A128-L130 PolarHBondContact O-N 2.9Å; L130-C132 VanDerWaalsContact C-N 3.3Å; L130-C132 PolarHBondContact O-N 2.82Å; L130-L133 PolarHBondContact O-N 3.19Å; L130-V134 WeakPolarHBondContact O-CB 3.4Å; L130-V134 VanDerWaalsContact O-CG2 3.27Å; L130-V134 WeakPolarHBondContact O-CG2 3.35Å; L130-V134 PolarHBondContact O-N 2.74Å
131	L	96.6	Very high	95.5	Very high	57 Å²	57	35.9 Å²	35.9	30%	0.298	20%	0.199	S	C	.	.	H	α-helix	trans	-59.3	-43.1	174.2	-73.7	166.5	0	0	0	111.3	L83 C127 A128 T135	L83-L131 HydrophobicContact CD2-CD2 4.31Å; C127-L131 VanDerWaalsContact O-CG 3.32Å; C127-L131 WeakPolarHBondContact O-CG 3.35Å; C127-L131 PolarHBondContact O-N 3.41Å; A128-L131 PolarHBondContact O-N 3.28Å; L131-T135 PolarHBondContact O-N 3.38Å; L131-T135 PolarHBondContact O-OG1 2.71Å
132	C	96.4	Very high	95.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-48	174.4	-175.7	0	0	0	0	111.2	T21 A128 G129 L130 V134 T135 V136	T21-C132 HydrophobicContact CG2-CB 4.3Å; A128-C132 PolarHBondContact O-N 3.46Å; A128-C132 VanDerWaalsContact O-N 3.1Å; G129-C132 PolarHBondContact O-N 3.03Å; L130-C132 VanDerWaalsContact C-N 3.3Å; L130-C132 PolarHBondContact O-N 2.82Å; C132-V134 PolarHBondContact O-N 2.05Å; C132-T135 WeakPolarHBondContact O-CB 3.34Å; C132-T135 PolarHBondContact O-N 3.13Å; C132-T135 VanDerWaalsContact O-N 3.15Å; C132-V136 VanDerWaalsContact O-CG2 3.27Å; C132-V136 WeakPolarHBondContact O-CG2 3.4Å; C132-V136 PolarHBondContact O-N 2.93Å
133	L	97.1	Very high	94.8	Very high	44 Å²	44	37.5 Å²	37.5	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-59.1	-44.1	179.6	-175	66.7	0	0	0	112.3	G129 L130 T135 S137 Y168 S171 F172	G129-L133 WeakPolarHBondContact O-CB 3.44Å; G129-L133 PolarHBondContact O-N 3.43Å; L130-L133 PolarHBondContact O-N 3.19Å; L133-T135 VanDerWaalsContact C-N 3.35Å; L133-S137 WeakPolarHBondContact O-CB 3.12Å; L133-S137 PolarHBondContact O-N 2.7Å; L133-S137 PolarHBondContact O-OG 3.37Å; L133-Y168 HydrophobicContact CD1-CD1 3.53Å; L133-Y168 HydrophobicContact CD1-CE1 3.6Å; L133-S171 WeakPolarHBondContact CD1-OG 3.39Å; L133-F172 HydrophobicContact CD1-CZ 4.45Å
134	V	96.3	Very high	94.4	Very high	82 Å²	82	37.2 Å²	37.2	50%	0.497	20%	0.203	S	C	.	.	H	α-helix	trans	-61.4	-45.1	176.3	169.2	0	0	0	0	110.3	L130 C132 S137 W138	L130-V134 WeakPolarHBondContact O-CB 3.4Å; L130-V134 VanDerWaalsContact O-CG2 3.27Å; L130-V134 WeakPolarHBondContact O-CG2 3.35Å; L130-V134 PolarHBondContact O-N 2.74Å; C132-V134 PolarHBondContact O-N 2.05Å; V134-S137 PolarHBondContact O-N 3.35Å; V134-W138 VanDerWaalsContact O-CB 3.31Å; V134-W138 WeakPolarHBondContact O-CB 3.42Å; V134-W138 PolarHBondContact O-N 2.96Å
135	T	94.6	Very high	93.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-49.5	179.5	-50.5	0	0	0	0	111.9	W30 A80 L83 M84 L131 C132 L133 S137 W138 T139	W30-T135 HydrophobicContact CH2-CG2 4.49Å; A80-T135 HydrophobicContact CB-CG2 3.87Å; L83-T135 HydrophobicContact CB-CG2 4.23Å; L83-T135 WeakPolarHBondContact CB-OG1 3.02Å; M84-T135 HydrophobicContact CG-CG2 3.74Å; M84-T135 HydrophobicContact SD-CG2 3.96Å; L131-T135 PolarHBondContact O-N 3.38Å; L131-T135 PolarHBondContact O-OG1 2.71Å; C132-T135 WeakPolarHBondContact O-CB 3.34Å; C132-T135 PolarHBondContact O-N 3.13Å; C132-T135 VanDerWaalsContact O-N 3.15Å; L133-T135 VanDerWaalsContact C-N 3.35Å; T135-S137 VanDerWaalsContact C-N 3.33Å; T135-S137 PolarHBondContact O-N 2.93Å; T135-W138 PolarHBondContact O-N 2.8Å; T135-T139 WeakPolarHBondContact O-CG2 3.3Å; T135-T139 PolarHBondContact O-N 3.37Å; T135-T139 PolarHBondContact O-OG1 3.1Å
136	V	95	Very high	93.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-40.7	-179.7	178.6	0	0	0	0	110.3	W30 C132 T139 T140 V164 Y168	W30-V136 HydrophobicContact CH2-CG2 4.42Å; C132-V136 VanDerWaalsContact O-CG2 3.27Å; C132-V136 WeakPolarHBondContact O-CG2 3.4Å; C132-V136 PolarHBondContact O-N 2.93Å; V136-T139 WeakPolarHBondContact CA-OG1 3.43Å; V136-T139 PolarHBondContact O-N 3.5Å; V136-T139 PolarHBondContact O-OG1 3.45Å; V136-T140 WeakPolarHBondContact O-CB 3.32Å; V136-T140 PolarHBondContact O-N 2.95Å; V136-T140 PolarHBondContact O-OG1 2.92Å; V136-V164 HydrophobicContact CG1-CB 4.38Å; V136-V164 HydrophobicContact CG1-CG1 3.49Å; V136-V164 VanDerWaalsContact CG1-CG1 3.49Å; V136-V164 WeakPolarHBondContact CG1-O 3.48Å; V136-Y168 HydrophobicContact CG1-CD1 4.34Å; V136-Y168 HydrophobicContact CG1-CD2 3.5Å; V136-Y168 VanDerWaalsContact CG1-CD2 3.5Å; V136-Y168 HydrophobicContact CG1-CE1 4.27Å; V136-Y168 HydrophobicContact CG1-CE2 3.43Å; V136-Y168 VanDerWaalsContact CG1-CE2 3.43Å; V136-Y168 HydrophobicContact CG1-CG 3.97Å
137	S	94.9	Very high	92.4	Very high	44 Å²	44	45.8 Å²	45.8	31%	0.308	24%	0.239	S	C	.	.	H	α-helix	trans	-67.1	-40.4	177.6	-56.5	0	0	0	0	112.8	L133 V134 T135 T140 N141 Y168	L133-S137 WeakPolarHBondContact O-CB 3.12Å; L133-S137 PolarHBondContact O-N 2.7Å; L133-S137 PolarHBondContact O-OG 3.37Å; V134-S137 PolarHBondContact O-N 3.35Å; T135-S137 VanDerWaalsContact C-N 3.33Å; T135-S137 PolarHBondContact O-N 2.93Å; S137-T140 PolarHBondContact O-N 3.36Å; S137-N141 PolarHBondContact O-N 3.04Å; S137-Y168 VanDerWaalsContact CA-OH 3.29Å; S137-Y168 WeakPolarHBondContact CA-OH 3.35Å; S137-Y168 PolarHBondContact OG-OH 3.11Å
138	W	93.8	Very high	91.7	Very high	140 Å²	140	52 Å²	52	53%	0.53	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-54.5	173.1	-170.6	-48.9	0	0	0	110.1	V134 T135 T140 N141 D142	V134-W138 VanDerWaalsContact O-CB 3.31Å; V134-W138 WeakPolarHBondContact O-CB 3.42Å; V134-W138 PolarHBondContact O-N 2.96Å; T135-W138 PolarHBondContact O-N 2.8Å; W138-T140 PolarHBondContact O-N 2.98Å; W138-N141 WeakPolarHBondContact O-CA 3.41Å; W138-N141 WeakPolarHBondContact O-CB 3.44Å; W138-N141 PolarHBondContact O-N 3.34Å; W138-D142 VanDerWaalsContact CD1-OD2 3.22Å; W138-D142 PolarHBondContact NE1-OD1 2.85Å; W138-D142 PolarHBondContact NE1-OD2 3.48Å; W138-D142 PolarHBondContact O-N 3.02Å
139	T	90.1	Very high	91	Very high	12 Å²	12	54.9 Å²	54.9	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-32.2	-178.7	57.8	0	0	0	0	112.9	W30 A80 T135 V136 V143	W30-T139 HydrophobicContact CE3-CG2 4.14Å; W30-T139 HydrophobicContact CZ3-CG2 3.87Å; A80-T139 HydrophobicContact CB-CG2 3.99Å; T135-T139 WeakPolarHBondContact O-CG2 3.3Å; T135-T139 PolarHBondContact O-N 3.37Å; T135-T139 PolarHBondContact O-OG1 3.1Å; V136-T139 WeakPolarHBondContact CA-OG1 3.43Å; V136-T139 PolarHBondContact O-N 3.5Å; V136-T139 PolarHBondContact O-OG1 3.45Å; T139-V143 VanDerWaalsContact O-CG2 3.22Å; T139-V143 WeakPolarHBondContact O-CG2 3.41Å; T139-V143 PolarHBondContact O-N 3.37Å
140	T	91.8	Very high	90	Very high	19 Å²	19	60.4 Å²	60.4	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-41.9	174.1	-56.4	0	0	0	0	111.1	V136 S137 W138 V143 I144 I160 V164	V136-T140 WeakPolarHBondContact O-CB 3.32Å; V136-T140 PolarHBondContact O-N 2.95Å; V136-T140 PolarHBondContact O-OG1 2.92Å; S137-T140 PolarHBondContact O-N 3.36Å; W138-T140 PolarHBondContact O-N 2.98Å; T140-V143 PolarHBondContact O-N 2.83Å; T140-I144 HydrophobicContact CG2-CD1 3.85Å; T140-I144 HydrophobicContact CG2-CG1 4.49Å; T140-I144 VanDerWaalsContact O-CG1 3.23Å; T140-I144 WeakPolarHBondContact O-CG1 3.27Å; T140-I144 PolarHBondContact O-N 2.9Å; T140-I160 HydrophobicContact CG2-CD1 4.23Å; T140-V164 WeakPolarHBondContact OG1-CG1 3.31Å
141	N	91.7	Very high	88.9	Confident	81 Å²	81	65 Å²	65	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-45.3	176.5	-173.7	-107.6	0	0	0	111.7	S137 W138 V143 I144 M145	S137-N141 PolarHBondContact O-N 3.04Å; W138-N141 WeakPolarHBondContact O-CA 3.41Å; W138-N141 WeakPolarHBondContact O-CB 3.44Å; W138-N141 PolarHBondContact O-N 3.34Å; N141-V143 VanDerWaalsContact C-N 3.3Å; N141-V143 PolarHBondContact O-N 3.34Å; N141-I144 PolarHBondContact O-N 2.92Å; N141-I144 VanDerWaalsContact O-N 3.17Å; N141-M145 WeakPolarHBondContact O-CG 3.27Å; N141-M145 PolarHBondContact O-N 3.2Å
142	D	88.4	Confident	87.6	Confident	29 Å²	29	65 Å²	65	16%	0.155	32%	0.323	C	S	.	.	H	α-helix	trans	-56.4	-46.7	175.8	-67.3	-15.8	0	0	0	111.2	R31 W138 I144 M145 D146	R31-D142 IonicContact NH2-OD2 3.58Å; W138-D142 VanDerWaalsContact CD1-OD2 3.22Å; W138-D142 PolarHBondContact NE1-OD1 2.85Å; W138-D142 PolarHBondContact NE1-OD2 3.48Å; W138-D142 PolarHBondContact O-N 3.02Å; D142-I144 VanDerWaalsContact C-N 3.33Å; D142-I144 PolarHBondContact O-N 3.25Å; D142-M145 PolarHBondContact O-N 3.16Å; D142-D146 WeakPolarHBondContact O-CB 3.45Å; D142-D146 VanDerWaalsContact O-CG 3.32Å; D142-D146 PolarHBondContact O-N 2.93Å
143	V	86	Confident	86.1	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.024	36%	0.356	C	S	.	.	H	α-helix	trans	-62.2	-41.3	179	169.4	0	0	0	0	111.7	R31 T139 T140 N141 D146 F147 Y158 I160	R31-V143 HydrophobicContact CG-CG2 3.74Å; R31-V143 VanDerWaalsContact NE-CG2 3.31Å; T139-V143 VanDerWaalsContact O-CG2 3.22Å; T139-V143 WeakPolarHBondContact O-CG2 3.41Å; T139-V143 PolarHBondContact O-N 3.37Å; T140-V143 PolarHBondContact O-N 2.83Å; N141-V143 VanDerWaalsContact C-N 3.3Å; N141-V143 PolarHBondContact O-N 3.34Å; V143-D146 PolarHBondContact O-N 2.88Å; V143-F147 HydrophobicContact CG1-CD2 3.93Å; V143-F147 HydrophobicContact CG1-CE2 3.97Å; V143-F147 VanDerWaalsContact O-CD2 3.27Å; V143-F147 WeakPolarHBondContact O-CD2 3.46Å; V143-F147 PolarHBondContact O-N 3.3Å; V143-Y158 WeakPolarHBondContact CG1-O 3.33Å; V143-I160 HydrophobicContact CG1-CG1 3.9Å
144	I	87.6	Confident	84.3	Confident	63 Å²	63	74.1 Å²	74.1	32%	0.323	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-42.8	177.3	-70.2	167.1	0	0	0	110.5	T140 N141 D142 F147 Y148	T140-I144 HydrophobicContact CG2-CD1 3.85Å; T140-I144 HydrophobicContact CG2-CG1 4.49Å; T140-I144 VanDerWaalsContact O-CG1 3.23Å; T140-I144 WeakPolarHBondContact O-CG1 3.27Å; T140-I144 PolarHBondContact O-N 2.9Å; N141-I144 PolarHBondContact O-N 2.92Å; N141-I144 VanDerWaalsContact O-N 3.17Å; D142-I144 VanDerWaalsContact C-N 3.33Å; D142-I144 PolarHBondContact O-N 3.25Å; I144-F147 WeakPolarHBondContact O-CB 3.43Å; I144-F147 PolarHBondContact O-N 3.33Å; I144-F147 VanDerWaalsContact O-N 3.16Å; I144-Y148 HydrophobicContact CG2-CD2 3.76Å; I144-Y148 HydrophobicContact CG2-CE2 3.69Å; I144-Y148 WeakPolarHBondContact O-CD2 3.49Å; I144-Y148 PolarHBondContact O-N 3.19Å
145	M	86.7	Confident	82.5	Confident	113 Å²	113	71.4 Å²	71.4	56%	0.557	37%	0.368	S	S	*	.	H	α-helix	trans	-63.2	-43.8	177.2	-68.3	-63	174.2	0	0	111.2	N141 D142 F147 Y148 D149	N141-M145 WeakPolarHBondContact O-CG 3.27Å; N141-M145 PolarHBondContact O-N 3.2Å; D142-M145 PolarHBondContact O-N 3.16Å; M145-F147 PolarHBondContact O-N 3.45Å; M145-Y148 PolarHBondContact O-N 2.75Å; M145-D149 PolarHBondContact O-N 3.42Å; M145-D149 VanDerWaalsContact O-N 3.1Å
146	D	82.9	Confident	81.1	Confident	54 Å²	54	75.1 Å²	75.1	29%	0.289	39%	0.386	S	S	.	.	H	α-helix	trans	-59	-33.5	174	-73	-15	0	0	0	111.9	R31 D142 V143 L152	R31-D146 IonicContact NH1-OD2 3.72Å; D142-D146 WeakPolarHBondContact O-CB 3.45Å; D142-D146 VanDerWaalsContact O-CG 3.32Å; D142-D146 PolarHBondContact O-N 2.93Å; V143-D146 PolarHBondContact O-N 2.88Å; D146-L152 HydrophobicContact CB-CD1 4.5Å; D146-L152 WeakPolarHBondContact O-CD1 3.16Å
147	F	81.4	Confident	80	Confident	63 Å²	63	78.9 Å²	78.9	28%	0.276	40%	0.403	S	S	.	.	H	α-helix	trans	-69.3	-35.5	177.6	-98.8	-63.4	0	0	0	114.4	V143 I144 M145 K157 Y158 E159	V143-F147 HydrophobicContact CG1-CD2 3.93Å; V143-F147 HydrophobicContact CG1-CE2 3.97Å; V143-F147 VanDerWaalsContact O-CD2 3.27Å; V143-F147 WeakPolarHBondContact O-CD2 3.46Å; V143-F147 PolarHBondContact O-N 3.3Å; I144-F147 WeakPolarHBondContact O-CB 3.43Å; I144-F147 PolarHBondContact O-N 3.33Å; I144-F147 VanDerWaalsContact O-N 3.16Å; M145-F147 PolarHBondContact O-N 3.45Å; F147-K157 HydrophobicContact CD1-CB 3.87Å; F147-K157 HydrophobicContact CD1-CD 4.07Å; F147-K157 HydrophobicContact CD1-CG 4.28Å; F147-K157 HydrophobicContact CE1-CB 3.65Å; F147-K157 HydrophobicContact CE1-CD 4.4Å; F147-K157 HydrophobicContact CE1-CG 4.49Å; F147-Y158 VanDerWaalsContact CD2-O 3.3Å; F147-Y158 WeakPolarHBondContact CD2-O 3.38Å; F147-Y158 VanDerWaalsContact CE2-C 3.4Å; F147-Y158 WeakPolarHBondContact CE2-O 3.41Å; F147-Y158 WeakPolarHBondContact CZ-O 3.46Å; F147-E159 HydrophobicContact CZ-CB 4.33Å; F147-E159 HydrophobicContact CZ-CG 3.84Å
148	Y	82.8	Confident	79	Confident	193 Å²	193	78.6 Å²	78.6	76%	0.757	40%	0.395	S	S	*	.	H	α-helix	trans	-91.8	-9.1	-176.2	-75.6	-68.7	0	0	0	113.5	I144 M145 P150	I144-Y148 HydrophobicContact CG2-CD2 3.76Å; I144-Y148 HydrophobicContact CG2-CE2 3.69Å; I144-Y148 WeakPolarHBondContact O-CD2 3.49Å; I144-Y148 PolarHBondContact O-N 3.19Å; M145-Y148 PolarHBondContact O-N 2.75Å; Y148-P150 WeakPolarHBondContact O-CD 3.14Å
149	D	81.6	Confident	78.6	Confident	61 Å²	61	77.2 Å²	77.2	33%	0.326	39%	0.394	S	S	.	.			trans	-66.6	118.2	177.3	-168.9	-27.1	0	0	0	111	M145 F151 L152	M145-D149 PolarHBondContact O-N 3.42Å; M145-D149 VanDerWaalsContact O-N 3.1Å; D149-F151 PolarHBondContact O-N 3.04Å; D149-F151 WeakPolarHBondContact OD1-CB 3.49Å; D149-F151 VanDerWaalsContact OD1-CD2 3.23Å; D149-F151 WeakPolarHBondContact OD1-CD2 3.33Å; D149-F151 PolarHBondContact OD1-N 3.41Å; D149-L152 HydrophobicContact CB-CD1 3.83Å; D149-L152 PolarHBondContact O-N 3.35Å
150	P	76.8	Confident	78.5	Confident	117 Å²	117	79.2 Å²	79.2	76%	0.76	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.1	-179.2	30	-36.4	0	0	0	113.7	Y148	Y148-P150 WeakPolarHBondContact O-CD 3.14Å
151	F	73.8	Confident	78.3	Confident	189 Å²	189	78.4 Å²	78.4	83%	0.829	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.1	179.2	-60.7	-71.1	0	0	0	113.1	D149	D149-F151 PolarHBondContact O-N 3.04Å; D149-F151 WeakPolarHBondContact OD1-CB 3.49Å; D149-F151 VanDerWaalsContact OD1-CD2 3.23Å; D149-F151 WeakPolarHBondContact OD1-CD2 3.33Å; D149-F151 PolarHBondContact OD1-N 3.41Å
152	L	69.1	Low	78.3	Confident	56 Å²	56	80.2 Å²	80.2	29%	0.293	41%	0.409	S	S	.	.	S	Bend	trans	-85.7	118.2	176.7	-94	134.1	0	0	0	111.5	D146 D149 S154 M156	D146-L152 HydrophobicContact CB-CD1 4.5Å; D146-L152 WeakPolarHBondContact O-CD1 3.16Å; D149-L152 HydrophobicContact CB-CD1 3.83Å; D149-L152 PolarHBondContact O-N 3.35Å; L152-S154 PolarHBondContact O-N 2.87Å; L152-M156 HydrophobicContact CD2-CB 4.28Å
153	L	65.9	Low	78.5	Confident	133 Å²	133	78.8 Å²	78.8	70%	0.696	40%	0.401	S	S	*	.			trans	-57.3	134.2	177.8	-152.9	76.7	0	0	0	110.2	G155 M156	L153-G155 PolarHBondContact O-N 3.33Å; L153-M156 PolarHBondContact O-N 3.46Å
154	S	58.4	Low	78.8	Confident	103 Å²	103	78.9 Å²	78.9	72%	0.72	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-52.7	-20.8	-172.2	-51.1	0	0	0	0	115.8	L152	L152-S154 PolarHBondContact O-N 2.87Å
155	G	59.3	Low	79.2	Confident	25 Å²	25	82.3 Å²	82.3	26%	0.258	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-82.8	-7.9	176.1	0	0	0	0	0	116	Y35 L153	Y35-G155 WeakPolarHBondContact CD2-O 3.44Å; L153-G155 PolarHBondContact O-N 3.33Å
156	M	64	Low	79.6	Confident	79 Å²	79	80 Å²	80	39%	0.389	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-109	18.9	-174.4	-66.8	-65.4	-73.1	0	0	113.8	Y35 L152 L153 Y158	Y35-M156 HydrophobicContact CD2-CG 4.46Å; Y35-M156 HydrophobicContact CD2-SD 3.48Å; Y35-M156 WeakPolarHBondContact CD2-SD 3.12Å; Y35-M156 HydrophobicContact CE2-CG 4.14Å; Y35-M156 HydrophobicContact CE2-SD 3.4Å; Y35-M156 WeakPolarHBondContact CE2-SD 3.43Å; L152-M156 HydrophobicContact CD2-CB 4.28Å; L153-M156 PolarHBondContact O-N 3.46Å; M156-Y158 PolarHBondContact O-N 3.25Å
157	K	72.2	Confident	80.2	Confident	79 Å²	79	77.4 Å²	77.4	34%	0.343	39%	0.387	S	S	.	.			trans	-81.2	116.5	-172	-68.4	-174.8	170.2	-163	0	113.4	T33 F147 E159	T33-K157 WeakPolarHBondContact CG2-O 3.46Å; F147-K157 HydrophobicContact CD1-CB 3.87Å; F147-K157 HydrophobicContact CD1-CD 4.07Å; F147-K157 HydrophobicContact CD1-CG 4.28Å; F147-K157 HydrophobicContact CE1-CB 3.65Å; F147-K157 HydrophobicContact CE1-CD 4.4Å; F147-K157 HydrophobicContact CE1-CG 4.49Å; K157-E159 PolarHBondContact O-N 3.33Å
158	Y	75.1	Confident	81	Confident	37 Å²	37	77.3 Å²	77.3	15%	0.145	39%	0.385	C	S	.	.			trans	-36.8	78.2	159.5	28.2	-153.5	0	0	0	121.7	R31 T33 K48 V143 F147 M156	R31-Y158 HydrophobicContact CB-CD1 3.76Å; R31-Y158 HydrophobicContact CB-CG 4.26Å; T33-Y158 HydrophobicContact CG2-CD1 3.07Å; T33-Y158 HydrophobicContact CG2-CD2 3.84Å; T33-Y158 HydrophobicContact CG2-CE1 3.53Å; T33-Y158 HydrophobicContact CG2-CE2 4.26Å; T33-Y158 HydrophobicContact CG2-CG 3.15Å; K48-Y158 HydrophobicContact CD-CE1 3.78Å; K48-Y158 HydrophobicContact CG-CE1 4.43Å; K48-Y158 PolarHBondContact NZ-OH 3.02Å; V143-Y158 WeakPolarHBondContact CG1-O 3.33Å; F147-Y158 VanDerWaalsContact CD2-O 3.3Å; F147-Y158 WeakPolarHBondContact CD2-O 3.38Å; F147-Y158 VanDerWaalsContact CE2-C 3.4Å; F147-Y158 WeakPolarHBondContact CE2-O 3.41Å; F147-Y158 WeakPolarHBondContact CZ-O 3.46Å; M156-Y158 PolarHBondContact O-N 3.25Å
159	E	85.3	Confident	81.7	Confident	111 Å²	111	70.3 Å²	70.3	52%	0.519	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	147.8	165.8	-68.6	-176.7	156.7	0	0	114.5	S32 F147 K157 G161	S32-E159 PolarHBondContact N-O 2.98Å; S32-E159 WeakPolarHBondContact O-CA 3.4Å; S32-E159 WeakPolarHBondContact O-CB 3.4Å; S32-E159 PolarHBondContact O-N 2.96Å; F147-E159 HydrophobicContact CZ-CB 4.33Å; F147-E159 HydrophobicContact CZ-CG 3.84Å; K157-E159 PolarHBondContact O-N 3.33Å; E159-G161 PolarHBondContact O-N 3Å
160	I	87.3	Confident	82.5	Confident	54 Å²	54	67.5 Å²	67.5	28%	0.277	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122	176.5	-59.4	168	0	0	0	108.8	T140 V143 V164 Y165	T140-I160 HydrophobicContact CG2-CD1 4.23Å; V143-I160 HydrophobicContact CG1-CG1 3.9Å; I160-V164 HydrophobicContact CG2-CB 3.87Å; I160-V164 HydrophobicContact CG2-CG1 3.97Å; I160-V164 HydrophobicContact CG2-CG2 4.19Å; I160-Y165 HydrophobicContact CB-CE2 4.43Å; I160-Y165 HydrophobicContact CG2-CD2 4.44Å; I160-Y165 HydrophobicContact CG2-CE2 3.78Å
161	G	88.8	Confident	83.4	Confident	2 Å²	2	61.9 Å²	61.9	2%	0.021	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-82.7	157.9	-178.9	0	0	0	0	0	114.1	H29 W30 E159 A163 V164	H29-G161 CarbonylContact O-C 3.58Å; H29-G161 WeakPolarHBondContact O-CA 3.05Å; W30-G161 PolarHBondContact O-N 2.83Å; E159-G161 PolarHBondContact O-N 3Å; G161-A163 PolarHBondContact O-N 2.69Å; G161-A163 VanDerWaalsContact O-N 3.13Å; G161-V164 WeakPolarHBondContact O-CB 3.49Å; G161-V164 PolarHBondContact O-N 3.47Å; G161-V164 VanDerWaalsContact O-N 3.07Å
162	L	90.6	Very high	84.6	Confident	119 Å²	119	58.5 Å²	58.5	62%	0.623	30%	0.301	S	S	*	.	H	α-helix	trans	-53.3	-31.2	177.9	-69.3	166.4	0	0	0	114.1	H29 V164 Y165 L166	H29-L162 PolarHBondContact O-N 3.1Å; L162-V164 VanDerWaalsContact C-N 3.27Å; L162-V164 PolarHBondContact O-N 3.01Å; L162-Y165 PolarHBondContact O-N 3.3Å; L162-L166 PolarHBondContact O-N 3.44Å
163	A	92.6	Very high	85.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-34.5	179.6	0	0	0	0	0	111.9	T24 L27 H29 W30 G161 L166 G167	T24-A163 HydrophobicContact CG2-CB 4.45Å; T24-A163 WeakPolarHBondContact CG2-O 3.34Å; L27-A163 HydrophobicContact CB-CB 4.02Å; L27-A163 HydrophobicContact CD2-CB 4.21Å; H29-A163 HydrophobicContact CB-CB 4.44Å; H29-A163 WeakPolarHBondContact O-CB 3.27Å; H29-A163 PolarHBondContact O-N 3.11Å; W30-A163 HydrophobicContact CG-CB 4.18Å; G161-A163 PolarHBondContact O-N 2.69Å; G161-A163 VanDerWaalsContact O-N 3.13Å; A163-L166 PolarHBondContact O-N 2.69Å; A163-G167 PolarHBondContact O-N 2.86Å
164	V	93.2	Very high	87.4	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-43.7	179.7	-179.9	0	0	0	0	110.6	W30 V136 T140 I160 G161 L162 L166 G167 Y168	W30-V164 HydrophobicContact CE3-CG2 4.29Å; W30-V164 WeakPolarHBondContact O-CG2 3.21Å; V136-V164 HydrophobicContact CG1-CB 4.38Å; V136-V164 HydrophobicContact CG1-CG1 3.49Å; V136-V164 VanDerWaalsContact CG1-CG1 3.49Å; V136-V164 WeakPolarHBondContact CG1-O 3.48Å; T140-V164 WeakPolarHBondContact OG1-CG1 3.31Å; I160-V164 HydrophobicContact CG2-CB 3.87Å; I160-V164 HydrophobicContact CG2-CG1 3.97Å; I160-V164 HydrophobicContact CG2-CG2 4.19Å; G161-V164 WeakPolarHBondContact O-CB 3.49Å; G161-V164 PolarHBondContact O-N 3.47Å; G161-V164 VanDerWaalsContact O-N 3.07Å; L162-V164 VanDerWaalsContact C-N 3.27Å; L162-V164 PolarHBondContact O-N 3.01Å; V164-L166 PolarHBondContact O-N 3.19Å; V164-G167 WeakPolarHBondContact O-CA 3.35Å; V164-G167 PolarHBondContact O-N 3.01Å; V164-G167 VanDerWaalsContact O-N 3.16Å; V164-Y168 HydrophobicContact CG1-CD2 4.2Å; V164-Y168 HydrophobicContact CG1-CE2 3.96Å; V164-Y168 WeakPolarHBondContact O-CD2 3.37Å; V164-Y168 PolarHBondContact O-N 2.81Å
165	Y	94.8	Very high	89.3	Confident	136 Å²	136	49.1 Å²	49.1	53%	0.533	25%	0.245	S	C	.	.	H	α-helix	trans	-63.4	-41.2	175.9	-63.6	-76.3	0	0	0	112.3	I160 L162 G167 Y168 A169	I160-Y165 HydrophobicContact CB-CE2 4.43Å; I160-Y165 HydrophobicContact CG2-CD2 4.44Å; I160-Y165 HydrophobicContact CG2-CE2 3.78Å; L162-Y165 PolarHBondContact O-N 3.3Å; Y165-G167 VanDerWaalsContact C-N 3.29Å; Y165-G167 PolarHBondContact O-N 2.71Å; Y165-Y168 PolarHBondContact O-N 2.84Å; Y165-A169 PolarHBondContact O-N 3.05Å
166	L	96	Very high	91.1	Very high	64 Å²	64	51 Å²	51	34%	0.335	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-37.5	174.2	-171.1	66	0	0	0	111.5	V23 L162 A163 V164 A169 S170	V23-L166 HydrophobicContact CB-CD2 4.03Å; V23-L166 HydrophobicContact CG1-CD2 3.53Å; L162-L166 PolarHBondContact O-N 3.44Å; A163-L166 PolarHBondContact O-N 2.69Å; V164-L166 PolarHBondContact O-N 3.19Å; L166-A169 PolarHBondContact O-N 3.41Å; L166-S170 VanDerWaalsContact O-CB 3.28Å; L166-S170 WeakPolarHBondContact O-CB 3.27Å; L166-S170 PolarHBondContact O-N 2.97Å; L166-S170 PolarHBondContact O-OG 3.39Å
167	G	96.3	Very high	92.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.2	-51.1	172.8	0	0	0	0	0	112.2	T24 A163 V164 Y165 A169 S170 S171	T24-G167 PolarHBondContact OG1-N 3.45Å; A163-G167 PolarHBondContact O-N 2.86Å; V164-G167 WeakPolarHBondContact O-CA 3.35Å; V164-G167 PolarHBondContact O-N 3.01Å; V164-G167 VanDerWaalsContact O-N 3.16Å; Y165-G167 VanDerWaalsContact C-N 3.29Å; Y165-G167 PolarHBondContact O-N 2.71Å; G167-A169 PolarHBondContact O-N 3.04Å; G167-S170 PolarHBondContact O-N 2.77Å; G167-S170 PolarHBondContact O-OG 2.92Å; G167-S171 WeakPolarHBondContact O-CB 3.36Å; G167-S171 PolarHBondContact O-N 3.15Å; G167-S171 PolarHBondContact O-OG 3.35Å
168	Y	97.4	Very high	93.8	Very high	61 Å²	61	43.5 Å²	43.5	24%	0.239	22%	0.217	C	C	.	.	H	α-helix	trans	-56.3	-52.7	174	-83.1	-65.8	0	0	0	112	L133 V136 S137 V164 Y165 S170 S171 F172	L133-Y168 HydrophobicContact CD1-CD1 3.53Å; L133-Y168 HydrophobicContact CD1-CE1 3.6Å; V136-Y168 HydrophobicContact CG1-CD1 4.34Å; V136-Y168 HydrophobicContact CG1-CD2 3.5Å; V136-Y168 VanDerWaalsContact CG1-CD2 3.5Å; V136-Y168 HydrophobicContact CG1-CE1 4.27Å; V136-Y168 HydrophobicContact CG1-CE2 3.43Å; V136-Y168 VanDerWaalsContact CG1-CE2 3.43Å; V136-Y168 HydrophobicContact CG1-CG 3.97Å; S137-Y168 VanDerWaalsContact CA-OH 3.29Å; S137-Y168 WeakPolarHBondContact CA-OH 3.35Å; S137-Y168 PolarHBondContact OG-OH 3.11Å; V164-Y168 HydrophobicContact CG1-CD2 4.2Å; V164-Y168 HydrophobicContact CG1-CE2 3.96Å; V164-Y168 WeakPolarHBondContact O-CD2 3.37Å; V164-Y168 PolarHBondContact O-N 2.81Å; Y165-Y168 PolarHBondContact O-N 2.84Å; Y168-S170 VanDerWaalsContact C-N 3.31Å; Y168-S170 PolarHBondContact O-N 3.13Å; Y168-S171 PolarHBondContact O-N 3.39Å; Y168-S171 PolarHBondContact O-OG 3.07Å; Y168-F172 HydrophobicContact CD1-CE2 4.22Å; Y168-F172 WeakPolarHBondContact O-CD2 3.22Å; Y168-F172 PolarHBondContact O-N 2.85Å
169	A	97.6	Very high	94.8	Very high	46 Å²	46	44.7 Å²	44.7	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-55.1	-47.1	178.2	0	0	0	0	0	111.6	Y165 L166 G167 S171 F172 L173	Y165-A169 PolarHBondContact O-N 3.05Å; L166-A169 PolarHBondContact O-N 3.41Å; G167-A169 PolarHBondContact O-N 3.04Å; A169-S171 PolarHBondContact O-N 3.43Å; A169-F172 PolarHBondContact O-N 3.04Å; A169-L173 WeakPolarHBondContact O-CB 3.41Å; A169-L173 WeakPolarHBondContact O-CD1 3.1Å; A169-L173 WeakPolarHBondContact O-CG 3.48Å; A169-L173 PolarHBondContact O-N 3.05Å
170	S	97	Very high	95.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-40.3	179.6	76.8	0	0	0	0	112.8	G17 T21 L166 G167 Y168 L173 S174	G17-S170 WeakPolarHBondContact CA-O 3.5Å; G17-S170 WeakPolarHBondContact O-CB 3.22Å; T21-S170 PolarHBondContact OG1-OG 3.02Å; L166-S170 VanDerWaalsContact O-CB 3.28Å; L166-S170 WeakPolarHBondContact O-CB 3.27Å; L166-S170 PolarHBondContact O-N 2.97Å; L166-S170 PolarHBondContact O-OG 3.39Å; G167-S170 PolarHBondContact O-N 2.77Å; G167-S170 PolarHBondContact O-OG 2.92Å; Y168-S170 VanDerWaalsContact C-N 3.31Å; Y168-S170 PolarHBondContact O-N 3.13Å; S170-L173 PolarHBondContact O-N 3.24Å; S170-S174 WeakPolarHBondContact O-CB 3.35Å; S170-S174 PolarHBondContact O-N 2.87Å
171	S	97.3	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-42.8	178	72.9	0	0	0	0	111.8	G129 L133 G167 Y168 A169 S174 V175	G129-S171 WeakPolarHBondContact O-CB 3.26Å; L133-S171 WeakPolarHBondContact CD1-OG 3.39Å; G167-S171 WeakPolarHBondContact O-CB 3.36Å; G167-S171 PolarHBondContact O-N 3.15Å; G167-S171 PolarHBondContact O-OG 3.35Å; Y168-S171 PolarHBondContact O-N 3.39Å; Y168-S171 PolarHBondContact O-OG 3.07Å; A169-S171 PolarHBondContact O-N 3.43Å; S171-S174 PolarHBondContact O-N 2.82Å; S171-V175 WeakPolarHBondContact O-CB 3.22Å; S171-V175 VanDerWaalsContact O-CG2 3.27Å; S171-V175 WeakPolarHBondContact O-CG2 3.04Å; S171-V175 PolarHBondContact O-N 3.31Å
172	F	97.9	Very high	95.7	Very high	117 Å²	117	39.1 Å²	39.1	51%	0.513	20%	0.201	S	C	.	.	H	α-helix	trans	-64.8	-44.5	175.5	-70.4	-58.2	0	0	0	111.7	L133 Y168 A169 S174 V175 T176	L133-F172 HydrophobicContact CD1-CZ 4.45Å; Y168-F172 HydrophobicContact CD1-CE2 4.22Å; Y168-F172 WeakPolarHBondContact O-CD2 3.22Å; Y168-F172 PolarHBondContact O-N 2.85Å; A169-F172 PolarHBondContact O-N 3.04Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 3.17Å; F172-V175 PolarHBondContact O-N 2.93Å; F172-T176 WeakPolarHBondContact O-CB 3.29Å; F172-T176 PolarHBondContact O-N 3.09Å; F172-T176 PolarHBondContact O-OG1 2.96Å
173	L	97.5	Very high	95.8	Very high	64 Å²	64	41.4 Å²	41.4	34%	0.335	20%	0.202	S	C	.	.	H	α-helix	trans	-56.1	-46.3	174.2	-81.1	151.9	0	0	0	111.6	L13 A169 S170 G177	L13-L173 HydrophobicContact CG-CD2 4.45Å; A169-L173 WeakPolarHBondContact O-CB 3.41Å; A169-L173 WeakPolarHBondContact O-CD1 3.1Å; A169-L173 WeakPolarHBondContact O-CG 3.48Å; A169-L173 PolarHBondContact O-N 3.05Å; S170-L173 PolarHBondContact O-N 3.24Å; L173-G177 PolarHBondContact O-N 2.88Å
174	S	97.3	Very high	95.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-44.1	178.1	-169	0	0	0	0	112.4	F125 S170 S171 F172 G177 G178	F125-S174 PolarHBondContact O-OG 3.29Å; S170-S174 WeakPolarHBondContact O-CB 3.35Å; S170-S174 PolarHBondContact O-N 2.87Å; S171-S174 PolarHBondContact O-N 2.82Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 3.17Å; S174-G177 PolarHBondContact O-N 3.34Å; S174-G178 PolarHBondContact O-N 3.35Å
175	V	97.9	Very high	95.2	Very high	30 Å²	30	41.7 Å²	41.7	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-48.1	179.1	169.4	0	0	0	0	110.7	L126 S171 F172 G177 G178 L179	L126-V175 HydrophobicContact CD2-CB 4.42Å; L126-V175 HydrophobicContact CD2-CG1 3.91Å; L126-V175 VanDerWaalsContact CD2-O 3.26Å; L126-V175 WeakPolarHBondContact CD2-O 3.38Å; S171-V175 WeakPolarHBondContact O-CB 3.22Å; S171-V175 VanDerWaalsContact O-CG2 3.27Å; S171-V175 WeakPolarHBondContact O-CG2 3.04Å; S171-V175 PolarHBondContact O-N 3.31Å; F172-V175 PolarHBondContact O-N 2.93Å; V175-G177 VanDerWaalsContact C-N 3.34Å; V175-G177 PolarHBondContact O-N 3.07Å; V175-G178 PolarHBondContact O-N 3.48Å; V175-L179 HydrophobicContact CG1-CD1 4.32Å; V175-L179 HydrophobicContact CG1-CG 4.45Å; V175-L179 WeakPolarHBondContact O-CG 2.63Å; V175-L179 PolarHBondContact O-N 3.46Å
176	T	97.3	Very high	94.7	Very high	66 Å²	66	43.4 Å²	43.4	41%	0.405	21%	0.209	S	C	.	.	H	α-helix	trans	-62.3	-41.9	176.9	-56.7	0	0	0	0	111.1	L13 F172 G178 L179 V180	L13-T176 HydrophobicContact CD2-CG2 3.91Å; F172-T176 WeakPolarHBondContact O-CB 3.29Å; F172-T176 PolarHBondContact O-N 3.09Å; F172-T176 PolarHBondContact O-OG1 2.96Å; T176-G178 PolarHBondContact O-N 3.3Å; T176-L179 PolarHBondContact O-N 2.71Å; T176-V180 HydrophobicContact CG2-CG2 4.43Å; T176-V180 WeakPolarHBondContact O-CB 3.3Å; T176-V180 VanDerWaalsContact O-CG2 3.26Å; T176-V180 WeakPolarHBondContact O-CG2 3Å; T176-V180 PolarHBondContact O-N 3.37Å
177	G	96.3	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-46.9	173.9	0	0	0	0	0	112.6	G10 L173 S174 V175 V180 L181	G10-G177 VanDerWaalsContact O-CA 3.28Å; G10-G177 WeakPolarHBondContact O-CA 3.3Å; L173-G177 PolarHBondContact O-N 2.88Å; S174-G177 PolarHBondContact O-N 3.34Å; V175-G177 VanDerWaalsContact C-N 3.34Å; V175-G177 PolarHBondContact O-N 3.07Å; G177-V180 PolarHBondContact O-N 3.13Å; G177-L181 WeakPolarHBondContact O-CG 3.23Å; G177-L181 PolarHBondContact O-N 2.98Å
178	G	95.9	Very high	92.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-43.9	175.2	0	0	0	0	0	113.5	G122 S174 V175 T176 L181 C182	G122-G178 WeakPolarHBondContact O-CA 3.4Å; S174-G178 PolarHBondContact O-N 3.35Å; V175-G178 PolarHBondContact O-N 3.48Å; T176-G178 PolarHBondContact O-N 3.3Å; G178-L181 PolarHBondContact O-N 3.19Å; G178-C182 WeakPolarHBondContact O-CB 3.4Å; G178-C182 PolarHBondContact O-N 3.2Å; G178-C182 PolarHBondContact O-SG 3.42Å
179	L	96.2	Very high	91.7	Very high	62 Å²	62	48.1 Å²	48.1	33%	0.325	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-46	176.6	-73.7	179.9	0	0	0	111.7	L126 V175 T176 L181 C182 W183	L126-L179 HydrophobicContact CD1-CD2 4.24Å; L126-L179 HydrophobicContact CD2-CD2 3.84Å; L126-L179 HydrophobicContact CD2-CG 3.77Å; V175-L179 HydrophobicContact CG1-CD1 4.32Å; V175-L179 HydrophobicContact CG1-CG 4.45Å; V175-L179 WeakPolarHBondContact O-CG 2.63Å; V175-L179 PolarHBondContact O-N 3.46Å; T176-L179 PolarHBondContact O-N 2.71Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 3.36Å; L179-C182 WeakPolarHBondContact O-CB 3.48Å; L179-C182 PolarHBondContact O-N 3.28Å; L179-W183 HydrophobicContact CB-CH2 4.47Å; L179-W183 HydrophobicContact CB-CZ3 4.47Å; L179-W183 PolarHBondContact O-N 3.49Å
180	V	95.1	Very high	90.6	Very high	30 Å²	30	51.5 Å²	51.5	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-41.8	178.3	171.8	0	0	0	0	110.8	G6 T176 G177 W183 S184	G6-V180 VanDerWaalsContact O-CG1 3.24Å; G6-V180 WeakPolarHBondContact O-CG1 3.48Å; T176-V180 HydrophobicContact CG2-CG2 4.43Å; T176-V180 WeakPolarHBondContact O-CB 3.3Å; T176-V180 VanDerWaalsContact O-CG2 3.26Å; T176-V180 WeakPolarHBondContact O-CG2 3Å; T176-V180 PolarHBondContact O-N 3.37Å; G177-V180 PolarHBondContact O-N 3.13Å; V180-W183 PolarHBondContact O-N 2.92Å; V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 3.28Å; V180-S184 PolarHBondContact O-OG 3.09Å
181	L	93.3	Very high	89.2	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-46.9	174	-73.5	172.2	0	0	0	111.5	Q7 F11 V118 F125 G177 G178 L179 S184 S185	Q7-L181 VanDerWaalsContact O-CD2 3.31Å; Q7-L181 WeakPolarHBondContact O-CD2 3.19Å; F11-L181 HydrophobicContact CB-CD2 4.44Å; V118-L181 HydrophobicContact CG1-CD2 4.33Å; F125-L181 HydrophobicContact CD2-CD1 3.98Å; F125-L181 HydrophobicContact CE2-CD1 4.37Å; G177-L181 WeakPolarHBondContact O-CG 3.23Å; G177-L181 PolarHBondContact O-N 2.98Å; G178-L181 PolarHBondContact O-N 3.19Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 3.36Å; L181-S184 PolarHBondContact O-N 3.02Å; L181-S184 PolarHBondContact O-OG 3.41Å; L181-S185 PolarHBondContact O-N 2.85Å; L181-S185 VanDerWaalsContact O-N 3.09Å
182	C	93	Very high	87.7	Confident	19 Å²	19	57.4 Å²	57.4	13%	0.128	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-47.7	177.2	-72.5	0	0	0	0	112	L119 G178 L179 S185 R186	L119-C182 HydrophobicContact CD1-CB 4.29Å; G178-C182 WeakPolarHBondContact O-CB 3.4Å; G178-C182 PolarHBondContact O-N 3.2Å; G178-C182 PolarHBondContact O-SG 3.42Å; L179-C182 WeakPolarHBondContact O-CB 3.48Å; L179-C182 PolarHBondContact O-N 3.28Å; C182-S185 PolarHBondContact O-N 2.98Å; C182-S185 PolarHBondContact O-OG 3.4Å; C182-R186 PolarHBondContact O-N 2.94Å; C182-R186 VanDerWaalsContact O-N 3.07Å
183	W	92.1	Very high	86.3	Confident	167 Å²	167	57.4 Å²	57.4	63%	0.633	29%	0.286	S	S	*	.	H	α-helix	trans	-62.5	-44.4	178.3	-70.1	-27	0	0	0	112.5	L179 V180 S185 R186 E187	L179-W183 HydrophobicContact CB-CH2 4.47Å; L179-W183 HydrophobicContact CB-CZ3 4.47Å; L179-W183 PolarHBondContact O-N 3.49Å; V180-W183 PolarHBondContact O-N 2.92Å; W183-S185 PolarHBondContact O-N 3.18Å; W183-R186 PolarHBondContact O-N 3.22Å; W183-R186 VanDerWaalsContact O-N 3.16Å; W183-E187 PolarHBondContact O-N 2.88Å; W183-E187 VanDerWaalsContact O-N 3.1Å
184	S	89.3	Confident	84.8	Confident	7 Å²	7	63.5 Å²	63.5	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-31.1	177.5	76.6	0	0	0	0	112.9	Q7 V180 L181 R188	Q7-S184 WeakPolarHBondContact CG-OG 3.5Å; V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 3.28Å; V180-S184 PolarHBondContact O-OG 3.09Å; L181-S184 PolarHBondContact O-N 3.02Å; L181-S184 PolarHBondContact O-OG 3.41Å; S184-R188 PolarHBondContact O-N 3.21Å
185	S	84.8	Confident	83.1	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-74.8	-37.2	176.4	79.2	0	0	0	0	112.3	L119 L181 C182 W183 R188 S189	L119-S185 WeakPolarHBondContact CD1-OG 3.07Å; L181-S185 PolarHBondContact O-N 2.85Å; L181-S185 VanDerWaalsContact O-N 3.09Å; C182-S185 PolarHBondContact O-N 2.98Å; C182-S185 PolarHBondContact O-OG 3.4Å; W183-S185 PolarHBondContact O-N 3.18Å; S185-R188 WeakPolarHBondContact O-CB 3.33Å; S185-R188 PolarHBondContact O-N 2.95Å; S185-S189 PolarHBondContact O-N 3.46Å; S185-S189 PolarHBondContact O-OG 2.88Å
186	R	84.1	Confident	81.3	Confident	173 Å²	173	71.8 Å²	71.8	65%	0.653	35%	0.351	S	S	*	.	H	α-helix	trans	-67.6	-43.1	179.2	-174.3	165.8	178.8	170.7	-1.5	111.8	C182 W183 R188 S189 Q190	C182-R186 PolarHBondContact O-N 2.94Å; C182-R186 VanDerWaalsContact O-N 3.07Å; W183-R186 PolarHBondContact O-N 3.22Å; W183-R186 VanDerWaalsContact O-N 3.16Å; R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.42Å; R186-S189 PolarHBondContact O-N 2.85Å; R186-Q190 PolarHBondContact O-N 2.69Å
187	E	80.5	Confident	79.5	Confident	119 Å²	119	74 Å²	74	56%	0.556	37%	0.366	S	S	*	.	H	α-helix	trans	-59.2	-40.1	174.6	-172.4	176	-155	0	0	111.2	W183 Q190 G191	W183-E187 PolarHBondContact O-N 2.88Å; W183-E187 VanDerWaalsContact O-N 3.1Å; E187-Q190 PolarHBondContact O-N 3.38Å; E187-G191 PolarHBondContact O-N 3.25Å
188	R	72.9	Confident	77.4	Confident	44 Å²	44	81.5 Å²	81.5	17%	0.166	40%	0.4	C	S	.	.	H	α-helix	trans	-64.9	-41.3	176.1	-168.6	178.8	-172.6	175.1	0.8	112.8	S184 S185 R186 R192	S184-R188 PolarHBondContact O-N 3.21Å; S185-R188 WeakPolarHBondContact O-CB 3.33Å; S185-R188 PolarHBondContact O-N 2.95Å; R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.42Å; R188-R192 PolarHBondContact O-N 3.36Å
189	S	73.1	Confident	74.9	Confident	61 Å²	61	88.6 Å²	88.6	43%	0.427	43%	0.433	S	S	.	.	H	α-helix	trans	-66.2	-42.4	177.1	-62.5	0	0	0	0	111.6	S115 S185 R186 R192 L193	S115-S189 PolarHBondContact OG-OG 3.41Å; S185-S189 PolarHBondContact O-N 3.46Å; S185-S189 PolarHBondContact O-OG 2.88Å; R186-S189 PolarHBondContact O-N 2.85Å; S189-R192 PolarHBondContact O-N 2.86Å; S189-L193 PolarHBondContact O-N 2.74Å; S189-L193 VanDerWaalsContact O-N 3.07Å
190	Q	74	Confident	72.6	Confident	117 Å²	117	91 Å²	91	55%	0.547	45%	0.452	S	S	.	.	H	α-helix	trans	-65.6	-40.8	176.2	-74.5	-175.3	-27.2	0	0	112.7	R186 E187 R192 L193 R194	R186-Q190 PolarHBondContact O-N 2.69Å; E187-Q190 PolarHBondContact O-N 3.38Å; Q190-R192 VanDerWaalsContact C-N 3.3Å; Q190-R192 PolarHBondContact O-N 2.74Å; Q190-L193 PolarHBondContact O-N 3.21Å; Q190-R194 WeakPolarHBondContact O-CB 3.27Å; Q190-R194 PolarHBondContact O-N 2.9Å
191	G	67.9	Low	70.4	Confident	46 Å²	46	94.8 Å²	94.8	47%	0.474	48%	0.48	S	S	.	.	H	α-helix	trans	-60.9	-37.1	175.6	0	0	0	0	0	113.1	E187 A195	E187-G191 PolarHBondContact O-N 3.25Å; G191-A195 WeakPolarHBondContact O-CB 3.34Å; G191-A195 PolarHBondContact O-N 3.38Å
192	R	65.8	Low	68.6	Low	79 Å²	79	98.7 Å²	98.7	30%	0.298	51%	0.513	S	S	.	.	H	α-helix	trans	-68.8	-44.1	173.5	-81.2	-172.3	179	170.9	5.9	113	S111 R188 S189 Q190 R194 A195 Q196	S111-R192 VanDerWaalsContact O-CZ 3.26Å; S111-R192 PolarHBondContact O-NH1 3.37Å; S111-R192 PolarHBondContact O-NH2 3.03Å; S111-R192 PolarHBondContact OG-NH2 2.86Å; R188-R192 PolarHBondContact O-N 3.36Å; S189-R192 PolarHBondContact O-N 2.86Å; Q190-R192 VanDerWaalsContact C-N 3.3Å; Q190-R192 PolarHBondContact O-N 2.74Å; R192-R194 VanDerWaalsContact C-N 3.31Å; R192-R194 PolarHBondContact O-N 2.91Å; R192-A195 PolarHBondContact O-N 3.36Å; R192-Q196 PolarHBondContact O-N 2.85Å
193	L	68.3	Low	67	Low	117 Å²	117	103 Å²	103	61%	0.613	54%	0.541	S	S	*	.	H	α-helix	trans	-61.2	-44.8	179.5	-158.3	75.5	0	0	0	110.3	S189 Q190 A195 Q196 T197	S189-L193 PolarHBondContact O-N 2.74Å; S189-L193 VanDerWaalsContact O-N 3.07Å; Q190-L193 PolarHBondContact O-N 3.21Å; L193-A195 PolarHBondContact O-N 2.96Å; L193-Q196 PolarHBondContact O-N 3.31Å; L193-T197 PolarHBondContact O-N 3.43Å; L193-T197 PolarHBondContact O-OG1 3.27Å
194	R	65.8	Low	65.6	Low	192 Å²	192	100.5 Å²	100.5	73%	0.725	55%	0.546	S	S	*	.	H	α-helix	trans	-65.6	-37.1	177	-162.2	174.6	-174.3	166	1.8	112.8	Q190 R192 T197 H198	Q190-R194 WeakPolarHBondContact O-CB 3.27Å; Q190-R194 PolarHBondContact O-N 2.9Å; R192-R194 VanDerWaalsContact C-N 3.31Å; R192-R194 PolarHBondContact O-N 2.91Å; R194-T197 PolarHBondContact O-N 3.18Å; R194-H198 PolarHBondContact O-N 2.97Å; R194-H198 VanDerWaalsContact O-N 3.1Å
195	A	61.6	Low	64.2	Low	62 Å²	62	105.3 Å²	105.3	51%	0.512	58%	0.577	S	S	.	*	H	α-helix	trans	-66.6	-35.7	174	0	0	0	0	0	112.5	G191 R192 L193 H198 Q199	G191-A195 WeakPolarHBondContact O-CB 3.34Å; G191-A195 PolarHBondContact O-N 3.38Å; R192-A195 PolarHBondContact O-N 3.36Å; L193-A195 PolarHBondContact O-N 2.96Å; A195-H198 PolarHBondContact O-N 2.97Å; A195-Q199 PolarHBondContact O-N 2.95Å
196	Q	60.6	Low	62.6	Low	142 Å²	142	110.3 Å²	110.3	66%	0.664	61%	0.609	S	S	*	*	H	α-helix	trans	-69.6	-36.9	172.9	-83.7	-176.3	-50.7	0	0	112.6	R192 L193 H198 Q199	R192-Q196 PolarHBondContact O-N 2.85Å; L193-Q196 PolarHBondContact O-N 3.31Å; Q196-H198 VanDerWaalsContact C-N 3.29Å; Q196-H198 PolarHBondContact O-N 3.15Å; Q196-Q199 PolarHBondContact O-N 3.43Å
197	T	59.5	Low	61.1	Low	114 Å²	114	111.8 Å²	111.8	70%	0.699	62%	0.621	S	S	*	*	H	α-helix	trans	-68.9	-26.4	175.8	-46.9	0	0	0	0	112.8	L193 R194	L193-T197 PolarHBondContact O-N 3.43Å; L193-T197 PolarHBondContact O-OG1 3.27Å; R194-T197 PolarHBondContact O-N 3.18Å
198	H	51	Low	59.5	Low	157 Å²	157	111.9 Å²	111.9	73%	0.727	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	3.6	178.4	-107.6	-13.5	0	0	0	114.9	R194 A195 Q196 P200	R194-H198 PolarHBondContact O-N 2.97Å; R194-H198 VanDerWaalsContact O-N 3.1Å; A195-H198 PolarHBondContact O-N 2.97Å; Q196-H198 VanDerWaalsContact C-N 3.29Å; Q196-H198 PolarHBondContact O-N 3.15Å; H198-P200 WeakPolarHBondContact O-CD 3.19Å
199	Q	45.1	Very low	58.6	Low	148 Å²	148	117.4 Å²	117.4	69%	0.692	66%	0.658	S	S	*	*	S	Bend	trans	-75.4	111.5	166.8	-161.2	146	-17.6	0	0	107.1	A195 Q196 S201	A195-Q199 PolarHBondContact O-N 2.95Å; Q196-Q199 PolarHBondContact O-N 3.43Å; Q199-S201 PolarHBondContact O-N 2.9Å; Q199-S201 VanDerWaalsContact O-N 3.11Å
200	P	47.6	Very low	57.3	Low	112 Å²	112	121 Å²	121	73%	0.727	67%	0.672	S	S	*	*			trans	-58.6	125.7	174	-12.5	27	0	0	0	105.9	H198 A202	H198-P200 WeakPolarHBondContact O-CD 3.19Å; P200-A202 PolarHBondContact O-N 3.45Å
201	S	47.8	Very low	56.2	Low	110 Å²	110	122.7 Å²	122.7	77%	0.769	68%	0.684	S	S	*	*			trans	-52.9	100.3	156.7	36.9	0	0	0	0	105.8	Q199 P203	Q199-S201 PolarHBondContact O-N 2.9Å; Q199-S201 VanDerWaalsContact O-N 3.11Å; S201-P203 VanDerWaalsContact O-N 3.13Å
202	A	55.6	Low	55.5	Low	84 Å²	84	125.7 Å²	125.7	69%	0.694	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-51.3	124.6	170.2	0	0	0	0	0	105.7	P200	P200-A202 PolarHBondContact O-N 3.45Å
203	P	59.3	Low	54.9	Low	110 Å²	110	127.7 Å²	127.7	71%	0.714	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-55.5	143.8	174.7	22.8	-30.6	0	0	0	107.7	S201	S201-P203 VanDerWaalsContact O-N 3.13Å
204	P	62.1	Low	54.4	Low	113 Å²	113	126.3 Å²	126.3	73%	0.734	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-50.9	138.6	171.3	23.1	-31.9	0	0	0	107.9
205	P	59.9	Low	53.8	Low	109 Å²	109	123.3 Å²	123.3	71%	0.708	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-52.2	135.2	179.5	22.4	-32.2	0	0	0	108.3	F207	P205-F207 PolarHBondContact O-N 3.17Å; P205-F207 VanDerWaalsContact O-N 3.1Å
206	P	51.3	Low	53	Low	108 Å²	108	128 Å²	128	70%	0.701	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-56.3	124.6	178	22	-30.6	0	0	0	108	N208	P206-N208 PolarHBondContact O-N 3.1Å
207	F	53.6	Low	52.6	Low	203 Å²	203	130.5 Å²	130.5	89%	0.89	75%	0.75	S	S	*	*			trans	-64.9	74.5	165.1	-101.1	-89.3	0	0	0	107.9	P205 N209	P205-F207 PolarHBondContact O-N 3.17Å; P205-F207 VanDerWaalsContact O-N 3.1Å; F207-N209 PolarHBondContact O-N 3.27Å
208	N	46.8	Very low	51.9	Low	122 Å²	122	135.6 Å²	135.6	65%	0.652	76%	0.757	S	S	*	*			trans	-77	107.2	163.5	-91.6	9.3	0	0	0	106.8	P206 L210	P206-N208 PolarHBondContact O-N 3.1Å; N208-L210 HydrophobicContact CB-CD1 4.3Å; N208-L210 PolarHBondContact O-N 3.24Å
209	N	53.9	Low	51.9	Low	159 Å²	159	132.1 Å²	132.1	85%	0.85	75%	0.748	S	S	*	*			trans	-60.2	77	160.7	-79.5	-43.5	0	0	0	109.8	F207	F207-N209 PolarHBondContact O-N 3.27Å
210	L	46.4	Very low	52	Low	137 Å²	137	130.6 Å²	130.6	72%	0.717	75%	0.751	S	S	*	*			trans	-105	93.5	158.6	-81.9	148.6	0	0	0	105.6	N208 P212	N208-L210 HydrophobicContact CB-CD1 4.3Å; N208-L210 PolarHBondContact O-N 3.24Å; L210-P212 WeakPolarHBondContact O-CD 3.23Å; L210-P212 VanDerWaalsContact O-N 3.09Å
211	N	49.8	Very low	51.8	Low	152 Å²	152	134 Å²	134	81%	0.813	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-46	117.1	153.9	-93.7	-8.9	0	0	0	106.9	P213	N211-P213 WeakPolarHBondContact O-CD 3.38Å
212	P	54.5	Low	51.6	Low	109 Å²	109	133.3 Å²	133.3	71%	0.708	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-63.9	128.1	161.9	25.8	-28.3	0	0	0	106.5	L210 A214	L210-P212 WeakPolarHBondContact O-CD 3.23Å; L210-P212 VanDerWaalsContact O-N 3.09Å; P212-A214 PolarHBondContact O-N 3.42Å
213	P	52.9	Low	51	Low	122 Å²	122	136.1 Å²	136.1	79%	0.792	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-57	133.4	165.6	22.7	-28.9	0	0	0	107.7	N211	N211-P213 WeakPolarHBondContact O-CD 3.38Å
214	A	58.4	Low	50.2	Low	88 Å²	88	138.9 Å²	138.9	73%	0.727	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-49	138.5	-178.9	0	0	0	0	0	110.8	P212 L216	P212-A214 PolarHBondContact O-N 3.42Å; A214-L216 PolarHBondContact O-N 2.88Å
215	P	51.8	Low	49.1	Very low	128 Å²	128	139.2 Å²	139.2	83%	0.831	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-59.5	127.2	175.6	22.8	-30.3	0	0	0	109.5	Y217	P215-Y217 PolarHBondContact O-N 3.17Å; P215-Y217 VanDerWaalsContact O-N 3.14Å
216	L	46.3	Very low	48.3	Very low	161 Å²	161	140.1 Å²	140.1	84%	0.843	76%	0.756	S	S	*	*			trans	-63.7	112.9	176.7	-158.5	157.7	0	0	0	108	A214 R218	A214-L216 PolarHBondContact O-N 2.88Å; L216-R218 PolarHBondContact O-N 2.82Å
217	Y	51.4	Low	48	Very low	194 Å²	194	143.6 Å²	143.6	76%	0.761	76%	0.762	S	S	*	*			trans	-59.3	106.7	177.4	179.4	-96.3	0	0	0	109.6	P215 P219	P215-Y217 PolarHBondContact O-N 3.17Å; P215-Y217 VanDerWaalsContact O-N 3.14Å; Y217-P219 HydrophobicContact CE1-CB 4.43Å
218	R	45	Very low	47.5	Very low	222 Å²	222	138 Å²	138	84%	0.838	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-94	118.2	170.7	-177.8	-179.2	-99.2	-172.1	-6.9	107.6	L216	L216-R218 PolarHBondContact O-N 2.82Å
219	P	51.3	Low	47	Very low	83 Å²	83	138.5 Å²	138.5	54%	0.539	76%	0.764	S	S	.	*	P	Polyproline II helix	trans	-65.8	147.2	175.2	27.1	-30.9	0	0	0	109.7	Y217 E221	Y217-P219 HydrophobicContact CE1-CB 4.43Å; P219-E221 PolarHBondContact O-N 2.85Å
220	P	46.2	Very low	46.1	Very low	117 Å²	117	136.6 Å²	136.6	76%	0.76	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-67.2	124.2	176.4	25.8	-30.3	0	0	0	109.8	A222	P220-A222 PolarHBondContact O-N 2.88Å
221	E	43.6	Very low	45.9	Very low	184 Å²	184	138.4 Å²	138.4	86%	0.86	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-57	123.5	165.4	-73.7	-84.5	137.1	0	0	108.5	P219 L223	P219-E221 PolarHBondContact O-N 2.85Å; E221-L223 PolarHBondContact O-N 3.16Å
222	A	44.2	Very low	45.4	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	78%	0.776	S	S	*	*			trans	-66.9	101.4	174.2	0	0	0	0	0	109.1	P220 K224	P220-A222 PolarHBondContact O-N 2.88Å; A222-K224 PolarHBondContact O-N 3.02Å
223	L	43.1	Very low	44.5	Very low	142 Å²	142	137.5 Å²	137.5	74%	0.743	78%	0.779	S	S	*	*			trans	-68.6	96.1	168.6	-173.8	68	0	0	0	108.3	E221 D225	E221-L223 PolarHBondContact O-N 3.16Å; L223-D225 VanDerWaalsContact C-N 3.31Å; L223-D225 WeakPolarHBondContact CD2-OD2 3.37Å; L223-D225 PolarHBondContact O-N 3.24Å; L223-D225 VanDerWaalsContact O-N 3.09Å
224	K	41.6	Very low	43.8	Very low	169 Å²	169	140.2 Å²	140.2	74%	0.735	79%	0.786	S	S	*	*			trans	-79.9	80.1	175.1	-171.6	173.3	-176.8	177.7	0	109.3	A222 N226	A222-K224 PolarHBondContact O-N 3.02Å; K224-N226 PolarHBondContact O-N 3.36Å
225	D	39.1	Very low	42.8	Very low	119 Å²	119	141.1 Å²	141.1	64%	0.636	79%	0.787	S	S	*	*			trans	-77.5	103.8	169.7	-77.1	-26.8	0	0	0	109.8	L223 H227	L223-D225 VanDerWaalsContact C-N 3.31Å; L223-D225 WeakPolarHBondContact CD2-OD2 3.37Å; L223-D225 PolarHBondContact O-N 3.24Å; L223-D225 VanDerWaalsContact O-N 3.09Å; D225-H227 PolarHBondContact O-N 2.87Å
226	N	43.6	Very low	42.1	Very low	129 Å²	129	140.2 Å²	140.2	69%	0.69	78%	0.784	S	S	*	*			trans	-81	91.8	167.1	-63.3	-51.6	0	0	0	108.6	K224	K224-N226 PolarHBondContact O-N 3.36Å
227	H	44.6	Very low	41.7	Very low	180 Å²	180	138.1 Å²	138.1	83%	0.833	78%	0.782	S	S	*	*			trans	-130.3	134.8	162.7	-88.2	-66.3	0	0	0	111.6	D225	D225-H227 PolarHBondContact O-N 2.87Å
228	A	42.2	Very low	41	Very low	87 Å²	87	132 Å²	132	72%	0.719	78%	0.779	S	S	*	*			trans	-63.2	152.3	-173.2	0	0	0	0	0	113.4	S230	A228-S230 PolarHBondContact O-N 3.43Å
229	P	36.3	Very low	40.6	Very low	132 Å²	132	133 Å²	133	86%	0.857	78%	0.784	S	S	*	*			trans	-75.3	127.4	-176.1	30.4	-31.8	0	0	0	110.4
230	S	36.9	Very low	40.1	Very low	119 Å²	119	140.7 Å²	140.7	83%	0.832	80%	0.802	S	S	*	*			trans	-107	135	163.6	56.8	0	0	0	0	109.9	A228 C232	A228-S230 PolarHBondContact O-N 3.43Å; S230-C232 PolarHBondContact O-N 3.27Å
231	L	41.9	Very low	39.9	Very low	174 Å²	174	142.2 Å²	142.2	91%	0.911	80%	0.803	S	S	*	*			trans	-66.1	113.5	-172.4	-74.6	137.4	0	0	0	111.8
232	C	38.3	Very low	39.6	Very low	131 Å²	131	139.7 Å²	139.7	89%	0.885	80%	0.796	S	S	*	*			trans	-166.8	87.4	139	-97.5	0	0	0	0	109	S230	S230-C232 PolarHBondContact O-N 3.27Å
233	S	35.7	Very low	39.5	Very low	111 Å²	111	140.2 Å²	140.2	78%	0.776	79%	0.785	S	S	*	*			trans	-77.1	131.8	165.4	53.7	0	0	0	0	110.3
234	L	38.5	Very low	39.4	Very low	180 Å²	180	143 Å²	143	94%	0.942	79%	0.788	S	S	*	*			trans	-146.7	106.1	132.7	-125.6	134.3	0	0	0	110
235	S	37.5	Very low	39.4	Very low	106 Å²	106	145.5 Å²	145.5	74%	0.741	82%	0.816	S	S	*	*			trans	-82.4	141.3	175.6	169.2	0	0	0	0	110.1
236	S	37.6	Very low	39.5	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	83%	0.825	S	S	*	*			trans	-167.6	105.2	140.2	-164.4	0	0	0	0	107.3
237	S	36.6	Very low	39.2	Very low	116 Å²	116	147.7 Å²	147.7	81%	0.811	83%	0.832	S	S	*	*				61.3	124.8	100.4	-161.9	0	0	0	0	112.7
238	G	38.3	Very low	38.9	Very low	67 Å²	67	145.9 Å²	145.9	69%	0.691	83%	0.832	S	S	*	*			cis	-177.9	169.3	10.6	0	0	0	0	0	109.7
239	Y	35.6	Very low	38.8	Very low	242 Å²	242	149.4 Å²	149.4	95%	0.949	84%	0.839	S	S	*	*			trans	-63.5	137.4	175.3	-69.6	-95.5	0	0	0	112.1
240	R	40.2	Very low	38.9	Very low	244 Å²	244	150.5 Å²	150.5	92%	0.921	84%	0.838	S	S	*	*			trans	-152.7	117.9	145.4	-119.6	-164.5	-176.6	-150.9	2.3	114.1
241	L	43.1	Very low	39	Very low	150 Å²	150	152.6 Å²	152.6	79%	0.785	84%	0.838	S	S	*	*			trans	-5.7	148.7	145.3	-130.5	79.4	0	0	0	120.1
242	N	37.8	Very low	38.8	Very low	130 Å²	130	151.1 Å²	151.1	70%	0.695	83%	0.833	S	S	*	*			trans	111.6	141.7	152.9	-73.4	-8.5	0	0	0	115.3
243	N	41.8	Very low	38.9	Very low	106 Å²	106	152.6 Å²	152.6	57%	0.567	83%	0.829	S	S	*	*			cis	177.6	145.9	-22.5	-130.1	-33.5	0	0	0	104.9
244	Y	40	Very low	39.2	Very low	202 Å²	202	156.1 Å²	156.1	79%	0.792	83%	0.833	S	S	*	*			trans	57.4	115.6	164	-51.5	-71.4	0	0	0	121.1
245	V	43	Very low	39.2	Very low	220 Å²	220	153.9 Å²	153.9	100%	1.333	82%	0.823	S	S	*	*				-148	0	105.5	177.2	0	0	0	0	108.1

Retrieved 245 of 245 residues in 158 ms (Link to these results)

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