A0A077Z517_TRITR Loading...

Apple domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z517, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 364 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	20.7	Very low	21.8	Very low	226 Å²	226	122 Å²	122	100%	1.113	67%	0.668	S	S	*	*				0	101.1	0	-83.4	160.4	43.3	0	0	109.8	V3	M1-V3 PolarHBondContact O-N 3.33Å
2	I	18.7	Very low	21.9	Very low	165 Å²	165	124.2 Å²	124.2	85%	0.846	67%	0.666	S	S	*	*			trans	-82.3	102.4	166.8	-65.3	171	0	0	0	104.5	E4	I2-E4 VanDerWaalsContact C-N 3.31Å; I2-E4 PolarHBondContact O-N 3.23Å
3	V	19.3	Very low	22.3	Very low	99 Å²	99	133.2 Å²	133.2	60%	0.6	68%	0.684	S	S	*	*			trans	-69.2	99.3	168.7	178	0	0	0	0	105.4	M1 C5	M1-V3 PolarHBondContact O-N 3.33Å; V3-C5 PolarHBondContact O-N 3.4Å
4	E	20.1	Very low	22.5	Very low	162 Å²	162	130.5 Å²	130.5	76%	0.757	68%	0.684	S	S	*	*			trans	-54.5	110.1	161.7	-72.2	-174.7	146.5	0	0	106.4	I2 C6	I2-E4 VanDerWaalsContact C-N 3.31Å; I2-E4 PolarHBondContact O-N 3.23Å; E4-C6 VanDerWaalsContact C-N 3.28Å; E4-C6 PolarHBondContact O-N 2.96Å
5	C	21.2	Very low	22.8	Very low	78 Å²	78	125.4 Å²	125.4	53%	0.527	66%	0.66	S	S	.	*			trans	-55.5	105.4	158.9	-95.1	0	0	0	0	105.6	V3 L7	V3-C5 PolarHBondContact O-N 3.4Å; C5-L7 PolarHBondContact O-N 3.01Å
6	C	21.2	Very low	23.1	Very low	110 Å²	110	124.3 Å²	124.3	74%	0.743	65%	0.652	S	S	*	*			trans	-63.5	64.3	164.4	-72	0	0	0	0	109.9	E4 A8	E4-C6 VanDerWaalsContact C-N 3.28Å; E4-C6 PolarHBondContact O-N 2.96Å; C6-A8 PolarHBondContact O-N 3.25Å
7	L	25.1	Very low	23.3	Very low	125 Å²	125	121.4 Å²	121.4	65%	0.654	66%	0.659	S	S	*	*			trans	-71.9	91.4	136	-141.7	81.2	0	0	0	103.2	C5 L9	C5-L7 PolarHBondContact O-N 3.01Å; L7-L9 HydrophobicContact CD2-CD1 3.71Å; L7-L9 HydrophobicContact CD2-CG 4.34Å; L7-L9 PolarHBondContact O-N 3.17Å
8	A	23.3	Very low	23.4	Very low	75 Å²	75	118.9 Å²	118.9	62%	0.62	66%	0.658	S	S	*	*			trans	-66	70.4	172.8	0	0	0	0	0	108.9	C6 H10	C6-A8 PolarHBondContact O-N 3.25Å; A8-H10 PolarHBondContact O-N 3.22Å; A8-H10 VanDerWaalsContact O-N 3.1Å
9	L	24.5	Very low	23.6	Very low	67 Å²	67	116 Å²	116	35%	0.351	65%	0.646	S	S	.	*			trans	-77.1	80.6	158.7	-85.8	159.2	0	0	0	105.7	L7 L11 L100	L7-L9 HydrophobicContact CD2-CD1 3.71Å; L7-L9 HydrophobicContact CD2-CG 4.34Å; L7-L9 PolarHBondContact O-N 3.17Å; L9-L11 HydrophobicContact CD2-CD1 4.13Å; L9-L11 PolarHBondContact O-N 3.01Å; L9-L100 HydrophobicContact CD1-CD2 3.71Å; L9-L100 HydrophobicContact CD2-CD2 3.5Å; L9-L100 VanDerWaalsContact CD2-CD2 3.5Å; L9-L100 HydrophobicContact CG-CD2 4.22Å
10	H	22.9	Very low	24	Very low	160 Å²	160	117.5 Å²	117.5	74%	0.741	65%	0.647	S	S	*	*			trans	-63.2	85.8	163.3	-94.4	-49.7	0	0	0	108.7	A8	A8-H10 PolarHBondContact O-N 3.22Å; A8-H10 VanDerWaalsContact O-N 3.1Å
11	L	23.4	Very low	24.3	Very low	75 Å²	75	113.3 Å²	113.3	39%	0.393	63%	0.632	S	S	.	*			trans	-130.6	69	169.1	-83	165.7	0	0	0	108.8	L9	L9-L11 HydrophobicContact CD2-CD1 4.13Å; L9-L11 PolarHBondContact O-N 3.01Å
12	K	23	Very low	24.9	Very low	148 Å²	148	109.6 Å²	109.6	64%	0.643	63%	0.625	S	S	*	*			trans	-90.9	120.9	152.4	-131.1	180	-175.8	-179.3	0	106.8	S14 T15	K12-S14 PolarHBondContact O-N 2.72Å; K12-T15 PolarHBondContact O-N 2.67Å; K12-T15 VanDerWaalsContact O-N 3.1Å; K12-T15 PolarHBondContact O-OG1 3.02Å
13	R	27.3	Very low	25.8	Very low	241 Å²	241	109.1 Å²	109.1	91%	0.909	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	-13.4	179.3	-135.8	174.5	-174.9	178.5	-0.3	113.5
14	S	24.5	Very low	26.7	Very low	96 Å²	96	106.5 Å²	106.5	67%	0.671	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-1.8	-177.9	62.4	0	0	0	0	115.2	K12	K12-S14 PolarHBondContact O-N 2.72Å
15	T	27.5	Very low	27.5	Very low	54 Å²	54	102.4 Å²	102.4	33%	0.331	59%	0.592	S	S	.	*			trans	-116.8	10.2	179.5	52.2	0	0	0	0	113.9	K12 G17 A18	K12-T15 PolarHBondContact O-N 2.67Å; K12-T15 VanDerWaalsContact O-N 3.1Å; K12-T15 PolarHBondContact O-OG1 3.02Å; T15-G17 PolarHBondContact O-N 2.77Å; T15-G17 VanDerWaalsContact O-N 3.16Å; T15-A18 WeakPolarHBondContact O-CB 3.02Å; T15-A18 PolarHBondContact O-N 3.45Å
16	M	27.8	Very low	28.3	Very low	107 Å²	107	104.6 Å²	104.6	53%	0.527	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-17.3	176.8	-73.6	-160.1	-58.1	0	0	113.8	A18 I94	M16-A18 VanDerWaalsContact C-N 3.32Å; M16-I94 HydrophobicContact SD-CD1 4.44Å
17	G	25.8	Very low	29.2	Very low	75 Å²	75	102.8 Å²	102.8	77%	0.773	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-10.7	168.1	0	0	0	0	0	114.6	T15	T15-G17 PolarHBondContact O-N 2.77Å; T15-G17 VanDerWaalsContact O-N 3.16Å
18	A	25.5	Very low	30.2	Very low	77 Å²	77	102.9 Å²	102.9	64%	0.636	57%	0.568	S	S	*	*	S	Bend	trans	-109.2	-3.4	-172	0	0	0	0	0	114.3	T15 M16	T15-A18 WeakPolarHBondContact O-CB 3.02Å; T15-A18 PolarHBondContact O-N 3.45Å; M16-A18 VanDerWaalsContact C-N 3.32Å
19	C	27.6	Very low	30.9	Very low	64 Å²	64	106.2 Å²	106.2	43%	0.432	57%	0.571	S	S	.	*	S	Bend	trans	-95.3	-1.8	177.6	-65.3	0	0	0	0	113.9
20	Q	29.9	Very low	31.6	Very low	145 Å²	145	104.7 Å²	104.7	68%	0.678	57%	0.568	S	S	*	*	S	Bend	trans	-87.9	108.3	163.8	-74.5	174.7	-19.2	0	0	107
21	G	31.6	Very low	32.6	Very low	31 Å²	31	98.6 Å²	98.6	32%	0.32	54%	0.538	S	S	.	.			trans	-55.5	160.6	154.4	0	0	0	0	0	109	E23 G24	G21-E23 PolarHBondContact O-N 2.91Å; G21-G24 PolarHBondContact O-N 2.77Å
22	P	32.8	Very low	33.4	Very low	148 Å²	148	98.3 Å²	98.3	96%	0.961	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-11.6	-174.1	16.7	-29.1	0	0	0	115.3
23	E	38.1	Very low	34.3	Very low	155 Å²	155	96.1 Å²	96.1	72%	0.724	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	15	175.9	-57.7	-170.9	163.4	0	0	114.9	G21 H25	G21-E23 PolarHBondContact O-N 2.91Å; E23-H25 VanDerWaalsContact C-N 3.29Å; E23-H25 PolarHBondContact O-N 3.28Å; E23-H25 PolarHBondContact O-ND1 2.9Å
24	G	37.7	Very low	35	Very low	43 Å²	43	87.5 Å²	87.5	44%	0.443	50%	0.503	S	S	.	.	S	Bend	trans	71	18.8	-179.9	0	0	0	0	0	115.1	G21	G21-G24 PolarHBondContact O-N 2.77Å
25	H	37.4	Very low	35.9	Very low	77 Å²	77	83.3 Å²	83.3	36%	0.356	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-89.1	133.6	-180	-73.9	55.7	0	0	0	111.6	E23	E23-H25 VanDerWaalsContact C-N 3.29Å; E23-H25 PolarHBondContact O-N 3.28Å; E23-H25 PolarHBondContact O-ND1 2.9Å
26	W	37.9	Very low	36.6	Very low	124 Å²	124	82.3 Å²	82.3	47%	0.47	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-64	139.5	171.3	-83.9	53.3	0	0	0	110.5	R28 A30 R31 F92	W26-R28 PolarHBondContact O-N 3.05Å; W26-A30 HydrophobicContact CE3-CB 3.69Å; W26-A30 HydrophobicContact CZ3-CB 4.07Å; W26-R31 HydrophobicContact CB-CG 3.82Å; W26-R31 PolarHBondContact O-NE 3.2Å; W26-R31 VanDerWaalsContact O-NE 3.1Å; W26-R31 PolarHBondContact O-NH2 2.71Å; W26-F92 HydrophobicContact CZ2-CE1 4.14Å
27	P	40.6	Very low	37.2	Very low	72 Å²	72	79.1 Å²	79.1	47%	0.468	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-51.9	129.2	168.5	-22.2	31.4	0	0	0	109.6	Q29 A30 R31	P27-Q29 PolarHBondContact O-N 2.79Å; P27-A30 PolarHBondContact O-N 2.74Å; P27-R31 PolarHBondContact O-N 3.14Å
28	R	44.3	Very low	38	Very low	126 Å²	126	77.1 Å²	77.1	48%	0.475	43%	0.433	S	S	.	.	H	α-helix	trans	-51.8	-33	-172.5	-165.8	178.6	-178	-166.6	-2.1	112.9	W26 R31 L32	W26-R28 PolarHBondContact O-N 3.05Å; R28-R31 WeakPolarHBondContact O-CB 3.44Å; R28-R31 PolarHBondContact O-N 3.11Å; R28-L32 HydrophobicContact CG-CD1 4.47Å; R28-L32 PolarHBondContact O-N 3.42Å; R28-L32 VanDerWaalsContact O-N 3.15Å
29	Q	38.1	Very low	38.9	Very low	146 Å²	146	76.6 Å²	76.6	68%	0.682	42%	0.417	S	S	*	.	H	α-helix	trans	-68.7	-40.4	179.5	-148	151.1	3	0	0	112.7	P27 R31 L32 H33	P27-Q29 PolarHBondContact O-N 2.79Å; Q29-R31 VanDerWaalsContact C-N 3.33Å; Q29-R31 PolarHBondContact O-N 3.4Å; Q29-L32 PolarHBondContact O-N 3.22Å; Q29-H33 PolarHBondContact O-CD2 3.32Å; Q29-H33 PolarHBondContact O-N 2.68Å; Q29-H33 VanDerWaalsContact O-N 3.12Å
30	A	40.1	Very low	39.4	Very low	35 Å²	35	79.2 Å²	79.2	29%	0.289	42%	0.424	S	S	.	.	H	α-helix	trans	-67	-34.3	175.5	0	0	0	0	0	112	W26 P27 T34	W26-A30 HydrophobicContact CE3-CB 3.69Å; W26-A30 HydrophobicContact CZ3-CB 4.07Å; P27-A30 PolarHBondContact O-N 2.74Å; A30-T34 WeakPolarHBondContact O-CB 3.39Å; A30-T34 PolarHBondContact O-N 3.39Å; A30-T34 VanDerWaalsContact O-N 3.16Å; A30-T34 PolarHBondContact O-OG1 2.77Å
31	R	43.9	Very low	39.9	Very low	31 Å²	31	75.3 Å²	75.3	12%	0.117	41%	0.407	C	S	.	.	H	α-helix	trans	-61.3	-51.9	172.5	-80.8	-176.1	-91.4	176.1	-9.6	111.8	W26 P27 R28 Q29 H33 T34 S35 R50 F54	W26-R31 HydrophobicContact CB-CG 3.82Å; W26-R31 PolarHBondContact O-NE 3.2Å; W26-R31 VanDerWaalsContact O-NE 3.1Å; W26-R31 PolarHBondContact O-NH2 2.71Å; P27-R31 PolarHBondContact O-N 3.14Å; R28-R31 WeakPolarHBondContact O-CB 3.44Å; R28-R31 PolarHBondContact O-N 3.11Å; Q29-R31 VanDerWaalsContact C-N 3.33Å; Q29-R31 PolarHBondContact O-N 3.4Å; R31-H33 PolarHBondContact O-N 2.83Å; R31-T34 PolarHBondContact O-N 3.36Å; R31-S35 PolarHBondContact O-N 2.79Å; R31-S35 PolarHBondContact O-OG 2.68Å; R31-R50 PolarHBondContact NH1-O 2.65Å; R31-F54 HydrophobicContact CB-CZ 4.33Å; R31-F54 HydrophobicContact CG-CE2 4.41Å; R31-F54 HydrophobicContact CG-CZ 4.36Å
32	L	40.7	Very low	40.3	Very low	70 Å²	70	75.8 Å²	75.8	37%	0.366	40%	0.404	S	S	.	.	H	α-helix	trans	-59.6	-44.1	-179.7	-82.3	157.2	0	0	0	113	R28 Q29 T34 S35 A36	R28-L32 HydrophobicContact CG-CD1 4.47Å; R28-L32 PolarHBondContact O-N 3.42Å; R28-L32 VanDerWaalsContact O-N 3.15Å; Q29-L32 PolarHBondContact O-N 3.22Å; L32-T34 VanDerWaalsContact C-N 3.34Å; L32-T34 PolarHBondContact O-N 2.9Å; L32-S35 PolarHBondContact O-N 2.85Å; L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 3.4Å
33	H	40.9	Very low	40.5	Very low	101 Å²	101	72.2 Å²	72.2	47%	0.468	40%	0.395	S	S	.	.	H	α-helix	trans	-65.2	-37.6	178	-79.6	-69	0	0	0	112.7	Q29 R31 A37	Q29-H33 PolarHBondContact O-CD2 3.32Å; Q29-H33 PolarHBondContact O-N 2.68Å; Q29-H33 VanDerWaalsContact O-N 3.12Å; R31-H33 PolarHBondContact O-N 2.83Å; H33-A37 WeakPolarHBondContact O-CB 3.39Å; H33-A37 PolarHBondContact O-N 3.49Å
34	T	43.1	Very low	40.4	Very low	61 Å²	61	68.4 Å²	68.4	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-72.5	-41	179.5	-49.1	0	0	0	0	110.9	A30 R31 L32 A37 L38	A30-T34 WeakPolarHBondContact O-CB 3.39Å; A30-T34 PolarHBondContact O-N 3.39Å; A30-T34 VanDerWaalsContact O-N 3.16Å; A30-T34 PolarHBondContact O-OG1 2.77Å; R31-T34 PolarHBondContact O-N 3.36Å; L32-T34 VanDerWaalsContact C-N 3.34Å; L32-T34 PolarHBondContact O-N 2.9Å; T34-A37 PolarHBondContact O-N 3.43Å; T34-L38 HydrophobicContact CG2-CD1 3.87Å; T34-L38 WeakPolarHBondContact O-CB 3.43Å; T34-L38 WeakPolarHBondContact O-CD1 3.19Å; T34-L38 PolarHBondContact O-N 3.37Å
35	S	42.9	Very low	40.4	Very low	8 Å²	8	74.6 Å²	74.6	6%	0.056	39%	0.387	C	S	.	.	H	α-helix	trans	-62.9	-45.3	173.8	-62.2	0	0	0	0	112.2	R31 L32 A37 L38 E39 F54	R31-S35 PolarHBondContact O-N 2.79Å; R31-S35 PolarHBondContact O-OG 2.68Å; L32-S35 PolarHBondContact O-N 2.85Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 3.45Å; S35-L38 PolarHBondContact O-N 3.08Å; S35-E39 WeakPolarHBondContact O-CB 3.26Å; S35-E39 WeakPolarHBondContact O-CG 3.43Å; S35-E39 PolarHBondContact O-N 3.25Å; S35-F54 WeakPolarHBondContact OG-CE1 2.85Å; S35-F54 WeakPolarHBondContact OG-CZ 3.37Å
36	A	41.8	Very low	40.6	Very low	32 Å²	32	71.5 Å²	71.5	26%	0.264	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-42.4	177	0	0	0	0	0	111.6	L32 L38 M40	L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 3.4Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 3.47Å; A36-M40 WeakPolarHBondContact O-CB 2.97Å; A36-M40 WeakPolarHBondContact O-CE 3.25Å; A36-M40 VanDerWaalsContact O-CG 3.29Å; A36-M40 WeakPolarHBondContact O-CG 3.03Å; A36-M40 PolarHBondContact O-N 3.42Å
37	A	41.4	Very low	40.6	Very low	40 Å²	40	71.5 Å²	71.5	33%	0.331	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-41.9	175	0	0	0	0	0	111.9	H33 T34 S35 M40 I41	H33-A37 WeakPolarHBondContact O-CB 3.39Å; H33-A37 PolarHBondContact O-N 3.49Å; T34-A37 PolarHBondContact O-N 3.43Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 3.45Å; A37-M40 PolarHBondContact O-N 2.91Å; A37-I41 VanDerWaalsContact O-CD1 3.26Å; A37-I41 WeakPolarHBondContact O-CD1 3.46Å; A37-I41 WeakPolarHBondContact O-CG1 3.47Å; A37-I41 PolarHBondContact O-N 3.47Å
38	L	42.9	Very low	40.6	Very low	34 Å²	34	70.5 Å²	70.5	18%	0.178	37%	0.371	C	S	.	.	H	α-helix	trans	-71.5	-42.7	178.4	-86.3	148	0	0	0	113	T34 S35 A36 M40 I41 T42 I46 Q59 L62	T34-L38 HydrophobicContact CG2-CD1 3.87Å; T34-L38 WeakPolarHBondContact O-CB 3.43Å; T34-L38 WeakPolarHBondContact O-CD1 3.19Å; T34-L38 PolarHBondContact O-N 3.37Å; S35-L38 PolarHBondContact O-N 3.08Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 3.47Å; L38-M40 PolarHBondContact O-N 2.85Å; L38-I41 PolarHBondContact O-N 2.87Å; L38-T42 PolarHBondContact O-N 3.27Å; L38-T42 PolarHBondContact O-OG1 3.4Å; L38-I46 HydrophobicContact CB-CD1 3.54Å; L38-Q59 HydrophobicContact CD2-CG 4.29Å; L38-L62 HydrophobicContact CD2-CD2 3.67Å
39	E	43.3	Very low	40.2	Very low	66 Å²	66	69.6 Å²	69.6	31%	0.308	38%	0.376	S	S	.	.	H	α-helix	trans	-56	-42.2	172	-77.3	-169.8	143.2	0	0	110.9	S35 I41 G43 E44 R45 I46	S35-E39 WeakPolarHBondContact O-CB 3.26Å; S35-E39 WeakPolarHBondContact O-CG 3.43Å; S35-E39 PolarHBondContact O-N 3.25Å; E39-I41 VanDerWaalsContact C-N 3.32Å; E39-I41 PolarHBondContact O-N 3.43Å; E39-G43 VanDerWaalsContact O-CA 3.28Å; E39-G43 WeakPolarHBondContact O-CA 3.25Å; E39-G43 PolarHBondContact O-N 2.89Å; E39-E44 WeakPolarHBondContact CG-O 3.46Å; E39-R45 WeakPolarHBondContact OE1-CA 3.37Å; E39-R45 WeakPolarHBondContact OE1-CG 3.39Å; E39-I46 HydrophobicContact CG-CB 3.76Å; E39-I46 HydrophobicContact CG-CG1 3.72Å; E39-I46 VanDerWaalsContact CG-N 3.31Å; E39-I46 PolarHBondContact OE1-N 3Å
40	M	39.1	Very low	40.2	Very low	118 Å²	118	73.1 Å²	73.1	58%	0.581	38%	0.383	S	S	*	.	H	α-helix	trans	-67.5	-30.1	176.7	-76.5	-172.4	-67.5	0	0	113.2	A36 A37 L38	A36-M40 WeakPolarHBondContact O-CB 2.97Å; A36-M40 WeakPolarHBondContact O-CE 3.25Å; A36-M40 VanDerWaalsContact O-CG 3.29Å; A36-M40 WeakPolarHBondContact O-CG 3.03Å; A36-M40 PolarHBondContact O-N 3.42Å; A37-M40 PolarHBondContact O-N 2.91Å; L38-M40 PolarHBondContact O-N 2.85Å
41	I	39.5	Very low	40	Very low	63 Å²	63	77.7 Å²	77.7	32%	0.323	40%	0.396	S	S	.	.	H	α-helix	trans	-82.7	-40.9	179.8	-70.2	162	0	0	0	111.6	A37 L38 E39 L62 L104	A37-I41 VanDerWaalsContact O-CD1 3.26Å; A37-I41 WeakPolarHBondContact O-CD1 3.46Å; A37-I41 WeakPolarHBondContact O-CG1 3.47Å; A37-I41 PolarHBondContact O-N 3.47Å; L38-I41 PolarHBondContact O-N 2.87Å; E39-I41 VanDerWaalsContact C-N 3.32Å; E39-I41 PolarHBondContact O-N 3.43Å; I41-L62 HydrophobicContact CG2-CD2 4.34Å; I41-L104 HydrophobicContact CD1-CD2 3.65Å; I41-L104 HydrophobicContact CG1-CD2 4.36Å
42	T	40.4	Very low	39.5	Very low	42 Å²	42	77.6 Å²	77.6	26%	0.258	41%	0.405	S	S	.	.	H	α-helix	trans	-94.4	-19.2	-173.7	62.7	0	0	0	0	113	L38 E44 L62	L38-T42 PolarHBondContact O-N 3.27Å; L38-T42 PolarHBondContact O-OG1 3.4Å; T42-E44 PolarHBondContact O-N 2.84Å; T42-E44 PolarHBondContact OG1-N 3.24Å; T42-L62 HydrophobicContact CG2-CD2 4.43Å
43	G	35.8	Very low	39	Very low	73 Å²	73	75.2 Å²	75.2	75%	0.753	39%	0.394	S	S	*	.			trans	69.5	0.2	-169.9	0	0	0	0	0	113.7	E39	E39-G43 VanDerWaalsContact O-CA 3.28Å; E39-G43 WeakPolarHBondContact O-CA 3.25Å; E39-G43 PolarHBondContact O-N 2.89Å
44	E	37.2	Very low	38.8	Very low	74 Å²	74	72 Å²	72	35%	0.346	38%	0.379	S	S	.	.	S	Bend	trans	-98	133.3	-179.5	-67.9	-172.9	157.3	0	0	110.2	E39 T42 I46 T56 G58	E39-E44 WeakPolarHBondContact CG-O 3.46Å; T42-E44 PolarHBondContact O-N 2.84Å; T42-E44 PolarHBondContact OG1-N 3.24Å; E44-I46 WeakPolarHBondContact O-CG1 3.47Å; E44-I46 PolarHBondContact O-N 3.34Å; E44-T56 VanDerWaalsContact OE2-CB 3.26Å; E44-T56 WeakPolarHBondContact OE2-CB 3.24Å; E44-T56 PolarHBondContact OE2-OG1 2.86Å; E44-G58 PolarHBondContact OE2-N 3.01Å
45	R	38.1	Very low	38.5	Very low	173 Å²	173	72.2 Å²	72.2	65%	0.653	38%	0.38	S	S	*	.			trans	-64.9	123.5	177.4	-153.2	-178.7	-162.2	-172.8	5.2	110.4	E39	E39-R45 WeakPolarHBondContact OE1-CA 3.37Å; E39-R45 WeakPolarHBondContact OE1-CG 3.39Å
46	I	40.7	Very low	38.2	Very low	12 Å²	12	73.3 Å²	73.3	6%	0.062	39%	0.386	C	S	.	.			trans	-104.3	105.3	-178.4	-57.5	-150.4	0	0	0	108.4	L38 E39 E44 D48 F54 Q59	L38-I46 HydrophobicContact CB-CD1 3.54Å; E39-I46 HydrophobicContact CG-CB 3.76Å; E39-I46 HydrophobicContact CG-CG1 3.72Å; E39-I46 VanDerWaalsContact CG-N 3.31Å; E39-I46 PolarHBondContact OE1-N 3Å; E44-I46 WeakPolarHBondContact O-CG1 3.47Å; E44-I46 PolarHBondContact O-N 3.34Å; I46-D48 PolarHBondContact O-N 3.18Å; I46-F54 HydrophobicContact CG2-CB 4.3Å; I46-F54 HydrophobicContact CG2-CD1 3.29Å; I46-F54 HydrophobicContact CG2-CE1 3.9Å; I46-F54 HydrophobicContact CG2-CG 4.12Å; I46-Q59 HydrophobicContact CD1-CG 4.08Å
47	I	37.2	Very low	38.1	Very low	124 Å²	124	76.7 Å²	76.7	64%	0.636	40%	0.404	S	S	*	.			trans	-80.8	111.4	-179.6	-55.8	175.8	0	0	0	108.8	N49	I47-N49 PolarHBondContact O-N 3.06Å
48	D	40.6	Very low	37.8	Very low	51 Å²	51	75.4 Å²	75.4	27%	0.273	39%	0.394	S	S	.	.			trans	-71.3	93.2	170.5	-177.3	10.6	0	0	0	109.7	I46 R50 F54	I46-D48 PolarHBondContact O-N 3.18Å; D48-R50 PolarHBondContact O-N 2.88Å; D48-F54 HydrophobicContact CB-CE1 4.03Å
49	N	36	Very low	37.7	Very low	107 Å²	107	74.8 Å²	74.8	57%	0.572	39%	0.39	S	S	*	.	B	Isolated β-bridge	trans	-77.5	117.4	162.8	-84.5	-23.6	0	0	0	107.3	I47 K51 G52	I47-N49 PolarHBondContact O-N 3.06Å; N49-K51 CarbonylContact O-C 3.53Å; N49-K51 WeakPolarHBondContact O-CA 3.41Å; N49-K51 PolarHBondContact O-N 2.01Å; N49-G52 PolarHBondContact O-N 3.16Å
50	R	38	Very low	37.7	Very low	220 Å²	220	76 Å²	76	83%	0.83	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.4	-17.7	-175.2	-70.1	-177.2	179.5	-174.3	0.1	117.6	R31 D48	R31-R50 PolarHBondContact NH1-O 2.65Å; D48-R50 PolarHBondContact O-N 2.88Å
51	K	35.8	Very low	37.9	Very low	131 Å²	131	76.5 Å²	76.5	57%	0.57	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.3	173.5	-60.9	-171.9	176.2	-174.5	0	115.6	N49	N49-K51 CarbonylContact O-C 3.53Å; N49-K51 WeakPolarHBondContact O-CA 3.41Å; N49-K51 PolarHBondContact O-N 2.01Å
52	G	34.4	Very low	38	Very low	30 Å²	30	74.8 Å²	74.8	31%	0.309	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	24.4	176.8	0	0	0	0	0	114.7	N49	N49-G52 PolarHBondContact O-N 3.16Å
53	C	30.7	Very low	38.2	Very low	19 Å²	19	73.3 Å²	73.3	13%	0.128	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-94.2	109.8	172.8	-61	0	0	0	0	108.9	C86	C53-C86 HydrophobicContact CB-CB 4.39Å; C53-C86 WeakPolarHBondContact CB-SG 3.3Å; C53-C86 WeakPolarHBondContact SG-CB 3.35Å; C53-C86 CovalentContact SG-SG 2.05Å; C53-C86 PolarHBondContact SG-SG 3.01Å
54	F	36.1	Very low	38.8	Very low	33 Å²	33	74.7 Å²	74.7	15%	0.145	37%	0.368	C	S	.	.			trans	-107.1	111.6	168.1	-54.3	-72.3	0	0	0	107.2	R31 S35 I46 D48 Q59	R31-F54 HydrophobicContact CB-CZ 4.33Å; R31-F54 HydrophobicContact CG-CE2 4.41Å; R31-F54 HydrophobicContact CG-CZ 4.36Å; S35-F54 WeakPolarHBondContact OG-CE1 2.85Å; S35-F54 WeakPolarHBondContact OG-CZ 3.37Å; I46-F54 HydrophobicContact CG2-CB 4.3Å; I46-F54 HydrophobicContact CG2-CD1 3.29Å; I46-F54 HydrophobicContact CG2-CE1 3.9Å; I46-F54 HydrophobicContact CG2-CG 4.12Å; D48-F54 HydrophobicContact CB-CE1 4.03Å; F54-Q59 PolarHBondContact O-OE1 3.43Å
55	V	35.5	Very low	39.1	Very low	66 Å²	66	77.3 Å²	77.3	40%	0.4	38%	0.378	S	S	.	.			trans	-142.3	95.3	171.2	-168.5	0	0	0	0	107.7	Q87 V89	V55-Q87 VanDerWaalsContact CG2-O 3.28Å; V55-Q87 WeakPolarHBondContact CG2-O 3.31Å; V55-V89 HydrophobicContact CG2-CG2 4.03Å
56	T	38.6	Very low	39.2	Very low	31 Å²	31	70 Å²	70	19%	0.19	35%	0.352	C	S	.	.			trans	-101.3	154	152.2	70.6	0	0	0	0	108.6	E44 G58 Q59	E44-T56 VanDerWaalsContact OE2-CB 3.26Å; E44-T56 WeakPolarHBondContact OE2-CB 3.24Å; E44-T56 PolarHBondContact OE2-OG1 2.86Å; T56-G58 PolarHBondContact O-N 3.39Å; T56-G58 VanDerWaalsContact O-N 3.12Å; T56-Q59 PolarHBondContact O-N 2.93Å
57	T	39	Very low	39.4	Very low	103 Å²	103	75.2 Å²	75.2	63%	0.632	37%	0.371	S	S	*	.	H	α-helix	trans	-50.1	-33.1	172.5	20.7	0	0	0	0	112.3	Q61	T57-Q61 PolarHBondContact O-N 2.79Å
58	G	35.6	Very low	39.8	Very low	13 Å²	13	77.8 Å²	77.8	13%	0.134	38%	0.377	C	S	.	.	H	α-helix	trans	-65.2	-34.9	175.1	0	0	0	0	0	114.5	E44 T56 Q61 L62	E44-G58 PolarHBondContact OE2-N 3.01Å; T56-G58 PolarHBondContact O-N 3.39Å; T56-G58 VanDerWaalsContact O-N 3.12Å; G58-Q61 PolarHBondContact O-N 2.98Å; G58-L62 WeakPolarHBondContact O-CB 3.46Å; G58-L62 PolarHBondContact O-N 3.08Å
59	Q	39.7	Very low	39.6	Very low	21 Å²	21	80 Å²	80	10%	0.098	39%	0.388	C	S	.	.	H	α-helix	trans	-72.4	-36.3	179.6	-74.4	-173.2	-39.3	0	0	113.3	L38 I46 F54 T56 L62 A63	L38-Q59 HydrophobicContact CD2-CG 4.29Å; I46-Q59 HydrophobicContact CD1-CG 4.08Å; F54-Q59 PolarHBondContact O-OE1 3.43Å; T56-Q59 PolarHBondContact O-N 2.93Å; Q59-L62 PolarHBondContact O-N 2.86Å; Q59-A63 WeakPolarHBondContact O-CB 3.26Å; Q59-A63 PolarHBondContact O-N 3.43Å
60	Q	42.5	Very low	39.3	Very low	91 Å²	91	77 Å²	77	43%	0.425	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-46.3	171.7	-85.1	-178	-19.2	0	0	110.6	L62 A63 E64	Q60-L62 VanDerWaalsContact C-N 3.31Å; Q60-L62 PolarHBondContact O-N 2.8Å; Q60-A63 PolarHBondContact O-N 2.84Å; Q60-E64 WeakPolarHBondContact O-CB 3.45Å; Q60-E64 PolarHBondContact O-N 2.82Å
61	Q	43.8	Very low	39	Very low	129 Å²	129	74.2 Å²	74.2	60%	0.603	38%	0.384	S	S	*	.	H	α-helix	trans	-62.5	-37.9	177	-71.6	-176.5	0.4	0	0	112.7	T57 G58 K65	T57-Q61 PolarHBondContact O-N 2.79Å; G58-Q61 PolarHBondContact O-N 2.98Å; Q61-K65 WeakPolarHBondContact O-CB 3.34Å; Q61-K65 WeakPolarHBondContact O-CG 3.45Å; Q61-K65 PolarHBondContact O-N 2.89Å
62	L	43.2	Very low	38.9	Very low	27 Å²	27	70.2 Å²	70.2	14%	0.141	37%	0.371	C	S	.	.	H	α-helix	trans	-66.5	-47.6	175.1	-172.2	66.1	0	0	0	110.8	L38 I41 T42 G58 Q59 Q60 E64 K65 L66 L107	L38-L62 HydrophobicContact CD2-CD2 3.67Å; I41-L62 HydrophobicContact CG2-CD2 4.34Å; T42-L62 HydrophobicContact CG2-CD2 4.43Å; G58-L62 WeakPolarHBondContact O-CB 3.46Å; G58-L62 PolarHBondContact O-N 3.08Å; Q59-L62 PolarHBondContact O-N 2.86Å; Q60-L62 VanDerWaalsContact C-N 3.31Å; Q60-L62 PolarHBondContact O-N 2.8Å; L62-E64 VanDerWaalsContact C-N 3.33Å; L62-E64 PolarHBondContact O-N 3.04Å; L62-K65 PolarHBondContact O-N 3.08Å; L62-L66 HydrophobicContact CG-CD1 4.17Å; L62-L66 HydrophobicContact CG-CG 4.42Å; L62-L66 WeakPolarHBondContact O-CB 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 3.15Å; L62-L107 HydrophobicContact CD1-CD1 4.42Å; L62-L107 HydrophobicContact CD1-CD2 4.06Å
63	A	43.9	Very low	38.7	Very low	12 Å²	12	71.3 Å²	71.3	10%	0.099	38%	0.382	C	S	.	.	H	α-helix	trans	-60.5	-40.8	176.6	0	0	0	0	0	112.4	Q59 Q60 L66 R67 A91	Q59-A63 WeakPolarHBondContact O-CB 3.26Å; Q59-A63 PolarHBondContact O-N 3.43Å; Q60-A63 PolarHBondContact O-N 2.84Å; A63-L66 PolarHBondContact O-N 3.43Å; A63-R67 WeakPolarHBondContact O-CB 3.3Å; A63-R67 PolarHBondContact O-N 3.45Å; A63-A91 HydrophobicContact CB-CB 4.48Å
64	E	47.2	Very low	38.7	Very low	102 Å²	102	75.6 Å²	75.6	48%	0.477	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-42.4	175.1	-149.5	81.2	-151.3	0	0	111.4	Q60 L62 R67 K68	Q60-E64 WeakPolarHBondContact O-CB 3.45Å; Q60-E64 PolarHBondContact O-N 2.82Å; L62-E64 VanDerWaalsContact C-N 3.33Å; L62-E64 PolarHBondContact O-N 3.04Å; E64-R67 PolarHBondContact O-N 3.43Å; E64-K68 WeakPolarHBondContact O-CG 2.96Å; E64-K68 PolarHBondContact O-N 3.43Å; E64-K68 VanDerWaalsContact O-N 3.17Å
65	K	44.7	Very low	38.6	Very low	128 Å²	128	76.7 Å²	76.7	56%	0.557	42%	0.416	S	S	*	.	H	α-helix	trans	-64.3	-44.3	174.3	-83.6	177.1	176.5	175.3	0	111.2	Q61 L62 R67 K68 I69	Q61-K65 WeakPolarHBondContact O-CB 3.34Å; Q61-K65 WeakPolarHBondContact O-CG 3.45Å; Q61-K65 PolarHBondContact O-N 2.89Å; L62-K65 PolarHBondContact O-N 3.08Å; K65-R67 VanDerWaalsContact C-N 3.33Å; K65-R67 PolarHBondContact O-N 2.88Å; K65-K68 PolarHBondContact O-N 2.92Å; K65-K68 VanDerWaalsContact O-N 3.16Å; K65-I69 VanDerWaalsContact O-CD1 3.27Å; K65-I69 WeakPolarHBondContact O-CD1 3.24Å; K65-I69 WeakPolarHBondContact O-CG1 3.26Å; K65-I69 PolarHBondContact O-N 3.06Å
66	L	40.3	Very low	38.2	Very low	21 Å²	21	78.8 Å²	78.8	11%	0.11	43%	0.431	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176.8	-70.1	176.4	0	0	0	112	L62 A63 K68 I69 G70 V93 L103 L107	L62-L66 HydrophobicContact CG-CD1 4.17Å; L62-L66 HydrophobicContact CG-CG 4.42Å; L62-L66 WeakPolarHBondContact O-CB 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 3.15Å; A63-L66 PolarHBondContact O-N 3.43Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 3.37Å; L66-I69 PolarHBondContact O-N 3.35Å; L66-G70 PolarHBondContact O-N 2.88Å; L66-V93 HydrophobicContact CD1-CG2 4.26Å; L66-L103 HydrophobicContact CD2-CD1 3.99Å; L66-L103 HydrophobicContact CD2-CD2 3.04Å; L66-L103 HydrophobicContact CD2-CG 4.06Å; L66-L107 HydrophobicContact CD2-CD1 4.4Å
67	R	45.2	Very low	37.7	Very low	120 Å²	120	83.6 Å²	83.6	45%	0.453	46%	0.46	S	S	.	.	H	α-helix	trans	-60.5	-37.5	174.8	-171.2	-178.5	173.4	161.7	0.5	112.2	A63 E64 K65	A63-R67 WeakPolarHBondContact O-CB 3.3Å; A63-R67 PolarHBondContact O-N 3.45Å; E64-R67 PolarHBondContact O-N 3.43Å; K65-R67 VanDerWaalsContact C-N 3.33Å; K65-R67 PolarHBondContact O-N 2.88Å
68	K	44.9	Very low	37.1	Very low	178 Å²	178	85.7 Å²	85.7	77%	0.774	47%	0.467	S	S	*	.	H	α-helix	trans	-73	-23.4	177	-72.7	179.1	-179.8	-179.1	0	113.8	E64 K65 L66	E64-K68 WeakPolarHBondContact O-CG 2.96Å; E64-K68 PolarHBondContact O-N 3.43Å; E64-K68 VanDerWaalsContact O-N 3.17Å; K65-K68 PolarHBondContact O-N 2.92Å; K65-K68 VanDerWaalsContact O-N 3.16Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 3.37Å
69	I	36.6	Very low	36.6	Very low	98 Å²	98	90.5 Å²	90.5	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-92.1	-19.4	-172.8	-61.9	160.4	0	0	0	112.9	K65 L66 L103	K65-I69 VanDerWaalsContact O-CD1 3.27Å; K65-I69 WeakPolarHBondContact O-CD1 3.24Å; K65-I69 WeakPolarHBondContact O-CG1 3.26Å; K65-I69 PolarHBondContact O-N 3.06Å; L66-I69 PolarHBondContact O-N 3.35Å; I69-L103 HydrophobicContact CG2-CD1 4.29Å
70	G	28.7	Very low	35.9	Very low	45 Å²	45	98.1 Å²	98.1	46%	0.464	53%	0.534	S	S	.	.	S	Bend	trans	165	133.3	163.4	0	0	0	0	0	116	L66 V72	L66-G70 PolarHBondContact O-N 2.88Å; G70-V72 WeakPolarHBondContact O-CG2 3.43Å; G70-V72 PolarHBondContact O-N 3.31Å
71	N	33.2	Very low	35.1	Very low	161 Å²	161	99 Å²	99	86%	0.861	55%	0.55	S	S	*	*			trans	19.7	52.6	165.8	-75.6	-4.3	0	0	0	117
72	V	32.6	Very low	34.2	Very low	47 Å²	47	100.4 Å²	100.4	29%	0.285	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-81.5	124.3	158.4	-170.1	0	0	0	0	105.1	G70	G70-V72 WeakPolarHBondContact O-CG2 3.43Å; G70-V72 PolarHBondContact O-N 3.31Å
73	G	31	Very low	33.3	Very low	52 Å²	52	104.6 Å²	104.6	54%	0.536	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-52.9	159.2	173.8	0	0	0	0	0	111.1	I75	G73-I75 PolarHBondContact O-N 2.9Å; G73-I75 VanDerWaalsContact O-N 3.12Å
74	P	30.2	Very low	32.4	Very low	109 Å²	109	112 Å²	112	71%	0.708	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-51	125.4	-175.7	21.2	-31.7	0	0	0	110.1	P76	P74-P76 WeakPolarHBondContact O-CD 3.38Å
75	I	33.4	Very low	31.3	Very low	57 Å²	57	111.5 Å²	111.5	29%	0.292	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-56.7	122	163.1	-58.2	172.6	0	0	0	104.3	G73 T77	G73-I75 PolarHBondContact O-N 2.9Å; G73-I75 VanDerWaalsContact O-N 3.12Å; I75-T77 PolarHBondContact O-N 2.93Å
76	P	28.4	Very low	30.4	Very low	110 Å²	110	108 Å²	108	71%	0.714	64%	0.638	S	S	*	*			trans	-50.5	115.3	-179.4	16.8	-29.1	0	0	0	108.4	P74 L78	P74-P76 WeakPolarHBondContact O-CD 3.38Å; P76-L78 PolarHBondContact O-N 3.47Å
77	T	26.8	Very low	30	Very low	131 Å²	131	112.4 Å²	112.4	80%	0.804	66%	0.658	S	S	*	*			trans	-60.8	128.5	177.4	31.4	0	0	0	0	107.9	I75 S79	I75-T77 PolarHBondContact O-N 2.93Å; T77-S79 PolarHBondContact O-N 3.33Å
78	L	27.8	Very low	29.1	Very low	147 Å²	147	115.4 Å²	115.4	77%	0.77	67%	0.669	S	S	*	*			trans	-43.1	102.5	177.2	-74.8	116.2	0	0	0	111.2	P76	P76-L78 PolarHBondContact O-N 3.47Å
79	S	24.5	Very low	28.4	Very low	115 Å²	115	109.3 Å²	109.3	80%	0.804	65%	0.646	S	S	*	*			trans	-82.3	122.5	153.8	58.5	0	0	0	0	107.1	T77	T77-S79 PolarHBondContact O-N 3.33Å
80	Q	25.3	Very low	28	Very low	181 Å²	181	107.1 Å²	107.1	85%	0.846	64%	0.643	S	S	*	*			trans	-51.4	157.2	174.9	-74.7	167.8	-23	0	0	111.8
81	S	25.3	Very low	28	Very low	108 Å²	108	107.4 Å²	107.4	76%	0.755	64%	0.641	S	S	*	*			trans	68.2	92.5	168.7	72.1	0	0	0	0	116.8
82	D	24.9	Very low	27.8	Very low	160 Å²	160	105.9 Å²	105.9	86%	0.856	63%	0.627	S	S	*	*				-134.3	130.5	124.8	-88.6	-33.6	0	0	0	108.3	F84	D82-F84 PolarHBondContact O-N 2.76Å
83	S	25.5	Very low	27.6	Very low	115 Å²	115	105.9 Å²	105.9	80%	0.804	63%	0.627	S	S	*	*	S	Bend	trans	-70.1	28.6	-161.4	39	0	0	0	0	116.2
84	F	24.7	Very low	27.7	Very low	166 Å²	166	108.8 Å²	108.8	73%	0.728	63%	0.629	S	S	*	*	S	Bend	trans	-140.8	76.2	176.2	-84.9	-85.5	0	0	0	110.9	D82 C86	D82-F84 PolarHBondContact O-N 2.76Å; F84-C86 VanDerWaalsContact O-CB 3.31Å; F84-C86 WeakPolarHBondContact O-CB 3.42Å; F84-C86 PolarHBondContact O-N 3.3Å
85	G	24.2	Very low	27.8	Very low	93 Å²	93	104.6 Å²	104.6	96%	0.959	60%	0.6	S	S	*	*			trans	19	30	154.6	0	0	0	0	0	122.3
86	C	25.3	Very low	27.9	Very low	54 Å²	54	104.5 Å²	104.5	37%	0.365	60%	0.6	S	S	.	*			trans	-131.7	86.3	-171.4	-139.2	0	0	0	0	107.6	C53 F84 R88	C53-C86 HydrophobicContact CB-CB 4.39Å; C53-C86 WeakPolarHBondContact CB-SG 3.3Å; C53-C86 WeakPolarHBondContact SG-CB 3.35Å; C53-C86 CovalentContact SG-SG 2.05Å; C53-C86 PolarHBondContact SG-SG 3.01Å; F84-C86 VanDerWaalsContact O-CB 3.31Å; F84-C86 WeakPolarHBondContact O-CB 3.42Å; F84-C86 PolarHBondContact O-N 3.3Å; C86-R88 PolarHBondContact O-N 2.91Å; C86-R88 VanDerWaalsContact O-N 3.13Å
87	Q	31.3	Very low	28.4	Very low	113 Å²	113	101.6 Å²	101.6	53%	0.528	58%	0.582	S	S	.	*			trans	-67.8	107.3	174.2	-76.8	177.1	-19.2	0	0	108.8	V55 V89	V55-Q87 VanDerWaalsContact CG2-O 3.28Å; V55-Q87 WeakPolarHBondContact CG2-O 3.31Å; Q87-V89 PolarHBondContact O-N 3.3Å; Q87-V89 VanDerWaalsContact O-N 3.12Å
88	R	27.5	Very low	29	Very low	184 Å²	184	97.1 Å²	97.1	69%	0.694	55%	0.554	S	S	*	*			trans	-74.5	94.4	174.9	-74.3	177.9	167.8	176.3	-3.5	109.6	C86 A90	C86-R88 PolarHBondContact O-N 2.91Å; C86-R88 VanDerWaalsContact O-N 3.13Å; R88-A90 PolarHBondContact O-N 2.88Å; R88-A90 VanDerWaalsContact O-N 3.13Å
89	V	28.5	Very low	29.7	Very low	49 Å²	49	98 Å²	98	30%	0.297	55%	0.547	S	S	.	.			trans	-84.6	75.2	163.5	-172.4	0	0	0	0	107.9	V55 Q87 A91	V55-V89 HydrophobicContact CG2-CG2 4.03Å; Q87-V89 PolarHBondContact O-N 3.3Å; Q87-V89 VanDerWaalsContact O-N 3.12Å; V89-A91 PolarHBondContact O-N 3.49Å; V89-A91 VanDerWaalsContact O-N 3.09Å
90	A	29.1	Very low	30.7	Very low	53 Å²	53	94.2 Å²	94.2	44%	0.438	52%	0.518	S	S	.	.			trans	-78.9	82.4	162.8	0	0	0	0	0	107.3	R88 F92	R88-A90 PolarHBondContact O-N 2.88Å; R88-A90 VanDerWaalsContact O-N 3.13Å; A90-F92 HydrophobicContact CB-CD2 3.68Å; A90-F92 HydrophobicContact CB-CE2 3.55Å; A90-F92 PolarHBondContact O-N 2.95Å
91	A	28.3	Very low	31.7	Very low	51 Å²	51	88.9 Å²	88.9	42%	0.421	49%	0.494	S	S	.	.			trans	-68.3	84.8	162.9	0	0	0	0	0	107	A63 V89 V93	A63-A91 HydrophobicContact CB-CB 4.48Å; V89-A91 PolarHBondContact O-N 3.49Å; V89-A91 VanDerWaalsContact O-N 3.09Å; A91-V93 HydrophobicContact CB-CG2 4.44Å; A91-V93 PolarHBondContact O-N 2.74Å
92	F	28.8	Very low	32.6	Very low	129 Å²	129	84.6 Å²	84.6	57%	0.566	47%	0.465	S	S	*	.			trans	-67.5	83	168.7	-83.4	-84	0	0	0	107.9	W26 A90 I94	W26-F92 HydrophobicContact CZ2-CE1 4.14Å; A90-F92 HydrophobicContact CB-CD2 3.68Å; A90-F92 HydrophobicContact CB-CE2 3.55Å; A90-F92 PolarHBondContact O-N 2.95Å; F92-I94 HydrophobicContact CB-CG1 4.43Å; F92-I94 PolarHBondContact O-N 3.09Å
93	V	29.9	Very low	33.6	Very low	46 Å²	46	78 Å²	78	28%	0.279	43%	0.43	S	S	.	.			trans	-76.3	78.4	165.6	-177.3	0	0	0	0	105.8	L66 A91 M95 L100	L66-V93 HydrophobicContact CD1-CG2 4.26Å; A91-V93 HydrophobicContact CB-CG2 4.44Å; A91-V93 PolarHBondContact O-N 2.74Å; V93-M95 HydrophobicContact CG1-CB 3.77Å; V93-M95 HydrophobicContact CG1-CE 3.15Å; V93-M95 HydrophobicContact CG1-CG 3.45Å; V93-M95 VanDerWaalsContact CG1-CG 3.45Å; V93-M95 HydrophobicContact CG1-SD 3.99Å; V93-M95 PolarHBondContact O-N 3.16Å; V93-L100 HydrophobicContact CG1-CD1 4.26Å
94	I	32	Very low	34.7	Very low	113 Å²	113	73.5 Å²	73.5	58%	0.579	40%	0.397	S	S	*	.			trans	-71.7	69.8	161.6	-52.8	176.7	0	0	0	105.9	M16 F92	M16-I94 HydrophobicContact SD-CD1 4.44Å; F92-I94 HydrophobicContact CB-CG1 4.43Å; F92-I94 PolarHBondContact O-N 3.09Å
95	M	31.8	Very low	35.7	Very low	22 Å²	22	67 Å²	67	11%	0.108	37%	0.37	C	S	.	.			trans	-93.7	128.4	166.3	-81.6	-163.3	-65.2	0	0	107.7	V93 R99 L100 L103	V93-M95 HydrophobicContact CG1-CB 3.77Å; V93-M95 HydrophobicContact CG1-CE 3.15Å; V93-M95 HydrophobicContact CG1-CG 3.45Å; V93-M95 VanDerWaalsContact CG1-CG 3.45Å; V93-M95 HydrophobicContact CG1-SD 3.99Å; V93-M95 PolarHBondContact O-N 3.16Å; M95-R99 HydrophobicContact CB-CB 4.03Å; M95-R99 HydrophobicContact CG-CB 4.15Å; M95-R99 HydrophobicContact SD-CB 3.98Å; M95-L100 HydrophobicContact CB-CB 4.08Å; M95-L100 HydrophobicContact CE-CB 4.29Å; M95-L100 HydrophobicContact CE-CD1 3.47Å; M95-L100 VanDerWaalsContact CE-CD1 3.47Å; M95-L100 HydrophobicContact CE-CG 4.43Å; M95-L103 HydrophobicContact CE-CB 3.88Å; M95-L103 HydrophobicContact CE-CD1 3.9Å; M95-L103 HydrophobicContact CE-CD2 3.85Å; M95-L103 HydrophobicContact CE-CG 4.08Å; M95-L103 HydrophobicContact SD-CB 4.05Å; M95-L103 HydrophobicContact SD-CD1 3.66Å; M95-L103 HydrophobicContact SD-CG 4.32Å
96	D	36.1	Very low	36.7	Very low	54 Å²	54	66.2 Å²	66.2	29%	0.289	34%	0.343	S	S	.	.			trans	-39.8	133.9	157.5	-178	-58.3	0	0	0	109.5	V98 R99 L100 R235	D96-V98 PolarHBondContact O-N 3.04Å; D96-V98 WeakPolarHBondContact OD1-CA 3.16Å; D96-V98 WeakPolarHBondContact OD1-CB 3.22Å; D96-V98 VanDerWaalsContact OD1-CG2 3.29Å; D96-V98 WeakPolarHBondContact OD1-CG2 3.46Å; D96-V98 PolarHBondContact OD1-N 3.42Å; D96-R99 HydrophobicContact CB-CB 4.25Å; D96-R99 HydrophobicContact CB-CG 4.3Å; D96-R99 CarbonylContact O-C 3.56Å; D96-R99 WeakPolarHBondContact O-CA 3.37Å; D96-R99 WeakPolarHBondContact O-CB 3.48Å; D96-R99 PolarHBondContact O-N 3.37Å; D96-L100 PolarHBondContact O-N 3.28Å; D96-R235 VanDerWaalsContact CG-NH2 3.31Å; D96-R235 IonicContact OD1-CZ 3.79Å; D96-R235 IonicContact OD1-NH1 2.75Å; D96-R235 IonicContact OD1-NH2 3.2Å; D96-R235 PolarHBondContact OD1-NH2 3.07Å; D96-R235 IonicContact OD2-CZ 3.15Å; D96-R235 IonicContact OD2-NH1 3.59Å; D96-R235 PolarHBondContact OD2-NH1 2.01Å; D96-R235 IonicContact OD2-NH2 2.69Å; D96-R235 PolarHBondContact OD2-NH2 3.48Å
97	P	39.3	Very low	37.6	Very low	50 Å²	50	65.7 Å²	65.7	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-53.1	-29.4	-178.3	17.2	-29.3	0	0	0	112.9	L100 I101	P97-L100 PolarHBondContact O-N 3.37Å; P97-I101 WeakPolarHBondContact O-CB 3.49Å; P97-I101 WeakPolarHBondContact O-CD1 3.33Å; P97-I101 WeakPolarHBondContact O-CG1 3.21Å; P97-I101 PolarHBondContact O-N 3.43Å
98	V	39.8	Very low	38.1	Very low	37 Å²	37	62.9 Å²	62.9	22%	0.224	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-41.2	172.5	-176.4	0	0	0	0	111.4	D96 A102 L231	D96-V98 PolarHBondContact O-N 3.04Å; D96-V98 WeakPolarHBondContact OD1-CA 3.16Å; D96-V98 WeakPolarHBondContact OD1-CB 3.22Å; D96-V98 VanDerWaalsContact OD1-CG2 3.29Å; D96-V98 WeakPolarHBondContact OD1-CG2 3.46Å; D96-V98 PolarHBondContact OD1-N 3.42Å; V98-A102 WeakPolarHBondContact O-CB 3.44Å; V98-A102 PolarHBondContact O-N 2.86Å; V98-L231 HydrophobicContact CG1-CB 4.27Å
99	R	42.3	Very low	38.8	Very low	164 Å²	164	55.8 Å²	55.8	62%	0.619	30%	0.3	S	S	*	.	H	α-helix	trans	-70.9	-37.9	174.7	-76	-172.5	173	179.9	-1.1	112	M95 D96 A102 L103	M95-R99 HydrophobicContact CB-CB 4.03Å; M95-R99 HydrophobicContact CG-CB 4.15Å; M95-R99 HydrophobicContact SD-CB 3.98Å; D96-R99 HydrophobicContact CB-CB 4.25Å; D96-R99 HydrophobicContact CB-CG 4.3Å; D96-R99 CarbonylContact O-C 3.56Å; D96-R99 WeakPolarHBondContact O-CA 3.37Å; D96-R99 WeakPolarHBondContact O-CB 3.48Å; D96-R99 PolarHBondContact O-N 3.37Å; R99-A102 PolarHBondContact O-N 3.34Å; R99-L103 WeakPolarHBondContact O-CB 3.21Å; R99-L103 PolarHBondContact O-N 2Å
100	L	45.4	Very low	39.2	Very low	37 Å²	37	56.3 Å²	56.3	19%	0.194	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-45.7	175.8	-170.8	73	0	0	0	110.8	L9 V93 M95 D96 P97 L103 L104	L9-L100 HydrophobicContact CD1-CD2 3.71Å; L9-L100 HydrophobicContact CD2-CD2 3.5Å; L9-L100 VanDerWaalsContact CD2-CD2 3.5Å; L9-L100 HydrophobicContact CG-CD2 4.22Å; V93-L100 HydrophobicContact CG1-CD1 4.26Å; M95-L100 HydrophobicContact CB-CB 4.08Å; M95-L100 HydrophobicContact CE-CB 4.29Å; M95-L100 HydrophobicContact CE-CD1 3.47Å; M95-L100 VanDerWaalsContact CE-CD1 3.47Å; M95-L100 HydrophobicContact CE-CG 4.43Å; D96-L100 PolarHBondContact O-N 3.28Å; P97-L100 PolarHBondContact O-N 3.37Å; L100-L103 PolarHBondContact O-N 2.93Å; L100-L104 HydrophobicContact CD1-CD1 4.34Å; L100-L104 HydrophobicContact CD2-CD1 4.48Å; L100-L104 HydrophobicContact CG-CD1 3.85Å; L100-L104 WeakPolarHBondContact O-CB 3.27Å; L100-L104 WeakPolarHBondContact O-CD1 3.34Å; L100-L104 WeakPolarHBondContact O-CG 3.43Å; L100-L104 PolarHBondContact O-N 2.77Å
101	I	45.5	Very low	39.8	Very low	69 Å²	69	57.1 Å²	57.1	35%	0.354	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-47	174	-70.3	166.3	0	0	0	110.7	P97 L103 L104 L105	P97-I101 WeakPolarHBondContact O-CB 3.49Å; P97-I101 WeakPolarHBondContact O-CD1 3.33Å; P97-I101 WeakPolarHBondContact O-CG1 3.21Å; P97-I101 PolarHBondContact O-N 3.43Å; I101-L103 PolarHBondContact O-N 3.19Å; I101-L104 PolarHBondContact O-N 3.11Å; I101-L105 HydrophobicContact CG2-CD1 3.7Å; I101-L105 VanDerWaalsContact O-CB 3.31Å; I101-L105 WeakPolarHBondContact O-CB 3.38Å; I101-L105 PolarHBondContact O-N 3.48Å
102	A	43.9	Very low	40.6	Very low	17 Å²	17	55.4 Å²	55.4	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-35	177.4	0	0	0	0	0	112	V98 R99 L106 I228	V98-A102 WeakPolarHBondContact O-CB 3.44Å; V98-A102 PolarHBondContact O-N 2.86Å; R99-A102 PolarHBondContact O-N 3.34Å; A102-L106 VanDerWaalsContact O-CB 3.28Å; A102-L106 WeakPolarHBondContact O-CB 3.45Å; A102-L106 WeakPolarHBondContact O-CD1 3.31Å; A102-L106 VanDerWaalsContact O-CG 3.26Å; A102-L106 WeakPolarHBondContact O-CG 3.45Å; A102-L106 PolarHBondContact O-N 3.49Å; A102-I228 HydrophobicContact CB-CD1 3.96Å; A102-I228 HydrophobicContact CB-CG1 3.88Å
103	L	46.8	Very low	41.2	Very low	21 Å²	21	57.4 Å²	57.4	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-82.1	-32.4	-177.9	-164.5	143.5	0	0	0	112	L66 I69 M95 R99 L100 I101 L106 L107	L66-L103 HydrophobicContact CD2-CD1 3.99Å; L66-L103 HydrophobicContact CD2-CD2 3.04Å; L66-L103 HydrophobicContact CD2-CG 4.06Å; I69-L103 HydrophobicContact CG2-CD1 4.29Å; M95-L103 HydrophobicContact CE-CB 3.88Å; M95-L103 HydrophobicContact CE-CD1 3.9Å; M95-L103 HydrophobicContact CE-CD2 3.85Å; M95-L103 HydrophobicContact CE-CG 4.08Å; M95-L103 HydrophobicContact SD-CB 4.05Å; M95-L103 HydrophobicContact SD-CD1 3.66Å; M95-L103 HydrophobicContact SD-CG 4.32Å; R99-L103 WeakPolarHBondContact O-CB 3.21Å; R99-L103 PolarHBondContact O-N 2Å; L100-L103 PolarHBondContact O-N 2.93Å; I101-L103 PolarHBondContact O-N 3.19Å; L103-L106 CarbonylContact O-C 3.49Å; L103-L106 PolarHBondContact O-N 3.25Å; L103-L107 HydrophobicContact CD2-CD1 3.65Å; L103-L107 HydrophobicContact CD2-CG 4.32Å; L103-L107 WeakPolarHBondContact O-CB 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.35Å; L103-L107 PolarHBondContact O-N 2.83Å
104	L	47.9	Very low	42.1	Very low	21 Å²	21	55.4 Å²	55.4	11%	0.11	29%	0.294	C	S	.	.	H	α-helix	trans	-69.2	-38.8	167.5	-79.3	150.8	0	0	0	111.7	I41 L100 I101 L107 L108 M152	I41-L104 HydrophobicContact CD1-CD2 3.65Å; I41-L104 HydrophobicContact CG1-CD2 4.36Å; L100-L104 HydrophobicContact CD1-CD1 4.34Å; L100-L104 HydrophobicContact CD2-CD1 4.48Å; L100-L104 HydrophobicContact CG-CD1 3.85Å; L100-L104 WeakPolarHBondContact O-CB 3.27Å; L100-L104 WeakPolarHBondContact O-CD1 3.34Å; L100-L104 WeakPolarHBondContact O-CG 3.43Å; L100-L104 PolarHBondContact O-N 2.77Å; I101-L104 PolarHBondContact O-N 3.11Å; L104-L107 PolarHBondContact O-N 3.05Å; L104-L108 PolarHBondContact O-N 2.97Å; L104-M152 HydrophobicContact CB-CE 3.82Å; L104-M152 HydrophobicContact CB-CG 4.27Å; L104-M152 HydrophobicContact CB-SD 3.27Å; L104-M152 WeakPolarHBondContact CB-SD 3.36Å; L104-M152 HydrophobicContact CD1-CE 3.67Å; L104-M152 HydrophobicContact CD1-SD 3.68Å; L104-M152 HydrophobicContact CD2-CE 3.7Å; L104-M152 HydrophobicContact CD2-SD 4.33Å; L104-M152 HydrophobicContact CG-CE 3.92Å; L104-M152 HydrophobicContact CG-SD 3.91Å
105	L	45.7	Very low	43.1	Very low	31 Å²	31	56.7 Å²	56.7	16%	0.162	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-47.2	167.9	-103	129.4	0	0	0	110.5	I101 L107 L108 L109 L227	I101-L105 HydrophobicContact CG2-CD1 3.7Å; I101-L105 VanDerWaalsContact O-CB 3.31Å; I101-L105 WeakPolarHBondContact O-CB 3.38Å; I101-L105 PolarHBondContact O-N 3.48Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 2.78Å; L105-L108 PolarHBondContact O-N 2.9Å; L105-L109 HydrophobicContact CB-CD1 4.4Å; L105-L109 HydrophobicContact CD2-CD1 4.21Å; L105-L109 VanDerWaalsContact O-CB 3.22Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CD1 3.27Å; L105-L109 WeakPolarHBondContact O-CD1 3.02Å; L105-L109 WeakPolarHBondContact O-CG 3.28Å; L105-L109 PolarHBondContact O-N 3.32Å; L105-L227 HydrophobicContact CD1-CD2 3.8Å; L105-L227 HydrophobicContact CD2-CD2 4.31Å
106	L	45.6	Very low	44.3	Very low	75 Å²	75	57.8 Å²	57.8	39%	0.393	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-32.8	175.5	-83.1	160	0	0	0	112.4	A102 L103 L109 A110	A102-L106 VanDerWaalsContact O-CB 3.28Å; A102-L106 WeakPolarHBondContact O-CB 3.45Å; A102-L106 WeakPolarHBondContact O-CD1 3.31Å; A102-L106 VanDerWaalsContact O-CG 3.26Å; A102-L106 WeakPolarHBondContact O-CG 3.45Å; A102-L106 PolarHBondContact O-N 3.49Å; L103-L106 CarbonylContact O-C 3.49Å; L103-L106 PolarHBondContact O-N 3.25Å; L106-L109 CarbonylContact O-C 3.59Å; L106-A110 WeakPolarHBondContact O-CA 3.45Å; L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 3.49Å
107	L	43.6	Very low	45.4	Very low	44 Å²	44	57.6 Å²	57.6	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-71.2	-41	174.4	-84.5	160.7	0	0	0	111.5	L62 L66 L103 L104 L105 L109 A110 A111	L62-L107 HydrophobicContact CD1-CD1 4.42Å; L62-L107 HydrophobicContact CD1-CD2 4.06Å; L66-L107 HydrophobicContact CD2-CD1 4.4Å; L103-L107 HydrophobicContact CD2-CD1 3.65Å; L103-L107 HydrophobicContact CD2-CG 4.32Å; L103-L107 WeakPolarHBondContact O-CB 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.35Å; L103-L107 PolarHBondContact O-N 2.83Å; L104-L107 PolarHBondContact O-N 3.05Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 2.78Å; L107-L109 VanDerWaalsContact C-N 3.35Å; L107-A110 PolarHBondContact O-N 3.17Å; L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 2.93Å
108	L	42	Very low	46.6	Very low	53 Å²	53	58 Å²	58	28%	0.277	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-40.4	171.5	-109.2	109.1	0	0	0	112.1	L104 L105 A111 C112 M152 F153	L104-L108 PolarHBondContact O-N 2.97Å; L105-L108 PolarHBondContact O-N 2.9Å; L108-A111 PolarHBondContact O-N 2.03Å; L108-C112 WeakPolarHBondContact O-CB 3.36Å; L108-C112 PolarHBondContact O-N 2.99Å; L108-M152 HydrophobicContact CD1-CB 4.01Å; L108-M152 HydrophobicContact CD1-CG 4.43Å; L108-M152 WeakPolarHBondContact CD1-O 3.38Å; L108-M152 WeakPolarHBondContact CD2-O 3.27Å; L108-F153 HydrophobicContact CD1-CE1 4.15Å
109	L	41.4	Very low	47.8	Very low	35 Å²	35	56.6 Å²	56.6	18%	0.183	28%	0.282	C	S	.	.	H	α-helix	trans	-74.5	-26.5	177.3	-67.9	162.9	0	0	0	112	L105 L106 L107 C112 L220 A224	L105-L109 HydrophobicContact CB-CD1 4.4Å; L105-L109 HydrophobicContact CD2-CD1 4.21Å; L105-L109 VanDerWaalsContact O-CB 3.22Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CD1 3.27Å; L105-L109 WeakPolarHBondContact O-CD1 3.02Å; L105-L109 WeakPolarHBondContact O-CG 3.28Å; L105-L109 PolarHBondContact O-N 3.32Å; L106-L109 CarbonylContact O-C 3.59Å; L107-L109 VanDerWaalsContact C-N 3.35Å; L109-C112 CarbonylContact O-C 3.56Å; L109-L220 HydrophobicContact CD2-CB 3.98Å; L109-L220 HydrophobicContact CD2-CD2 3.32Å; L109-L220 HydrophobicContact CD2-CG 4.12Å; L109-A224 HydrophobicContact CD1-CB 3.65Å
110	A	38.9	Very low	48.9	Very low	60 Å²	60	49.2 Å²	49.2	50%	0.496	26%	0.255	S	S	.	.	H	α-helix	trans	-78.1	-29.1	171.8	0	0	0	0	0	111.6	L106 L107 C112	L106-A110 WeakPolarHBondContact O-CA 3.45Å; L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 3.49Å; L107-A110 PolarHBondContact O-N 3.17Å; A110-C112 VanDerWaalsContact C-N 3.31Å
111	A	40.2	Very low	49.8	Very low	71 Å²	71	48 Å²	48	59%	0.587	25%	0.25	S	C	*	.	H	α-helix	trans	-74.2	-24.7	170.4	0	0	0	0	0	112	L107 L108	L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 2.93Å; L108-A111 PolarHBondContact O-N 2.03Å
112	C	44.8	Very low	50.6	Low	14 Å²	14	47.5 Å²	47.5	10%	0.095	25%	0.251	C	S	.	.			trans	-108.8	85.3	174.3	-179.6	0	0	0	0	111.4	L108 L109 A110 G114 C208	L108-C112 WeakPolarHBondContact O-CB 3.36Å; L108-C112 PolarHBondContact O-N 2.99Å; L109-C112 CarbonylContact O-C 3.56Å; A110-C112 VanDerWaalsContact C-N 3.31Å; C112-G114 VanDerWaalsContact C-N 3.29Å; C112-G114 PolarHBondContact O-N 2.94Å; C112-C208 VanDerWaalsContact C-SG 3.56Å; C112-C208 WeakPolarHBondContact CA-SG 3.48Å; C112-C208 HydrophobicContact CB-CB 3.47Å; C112-C208 VanDerWaalsContact CB-CB 3.47Å; C112-C208 WeakPolarHBondContact CB-SG 3.44Å; C112-C208 WeakPolarHBondContact SG-CB 3.11Å; C112-C208 CovalentContact SG-SG 1.99Å; C112-C208 PolarHBondContact SG-SG 3.09Å
113	R	42	Very low	51.5	Low	172 Å²	172	50.2 Å²	50.2	65%	0.649	26%	0.263	S	S	*	.			trans	-77	-11.6	-178	-76.3	-172.4	173.4	166.4	-2.6	114.1	D210	R113-D210 PolarHBondContact N-OD1 3.48Å
114	G	48.9	Very low	52.3	Low	4 Å²	4	53.5 Å²	53.5	4%	0.041	29%	0.288	C	S	.	.	S	Bend	trans	-117.7	-141.3	-179.6	0	0	0	0	0	114.3	C112 V209 L220	C112-G114 VanDerWaalsContact C-N 3.29Å; C112-G114 PolarHBondContact O-N 2.94Å; G114-V209 CarbonylContact C-O 3.47Å; G114-V209 WeakPolarHBondContact CA-O 3.34Å; G114-L220 WeakPolarHBondContact O-CD1 3.26Å
115	R	52.1	Low	52.8	Low	140 Å²	140	53.7 Å²	53.7	53%	0.528	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.7	-171.4	-172.2	176.4	177.8	177	-0.4	109.9	I117 V209 Y212	R115-I117 WeakPolarHBondContact O-CG1 3.08Å; R115-I117 PolarHBondContact O-N 2.01Å; R115-V209 PolarHBondContact N-O 3.17Å; R115-V209 VanDerWaalsContact N-O 3.08Å; R115-V209 PolarHBondContact O-N 3.27Å; R115-V209 VanDerWaalsContact O-N 3.13Å; R115-Y212 HydrophobicContact CB-CG 4.43Å
116	I	58.8	Low	53.5	Low	44 Å²	44	53.6 Å²	53.6	23%	0.226	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	121.1	165.8	-60.4	-178.7	0	0	0	107.7	L148 I206 L220	I116-L148 HydrophobicContact CD1-CD1 3.63Å; I116-L148 HydrophobicContact CD1-CD2 3.93Å; I116-L148 HydrophobicContact CD1-CG 4.43Å; I116-L148 HydrophobicContact CG2-CD1 4.24Å; I116-I206 HydrophobicContact CG2-CG2 3.45Å; I116-I206 VanDerWaalsContact CG2-CG2 3.45Å; I116-L220 HydrophobicContact CD1-CD2 3.9Å; I116-L220 HydrophobicContact CG1-CD2 4.32Å
117	I	58.7	Low	54.2	Low	51 Å²	51	57 Å²	57	26%	0.262	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.8	177.1	-28.4	-171.2	0	0	0	107.7	R115 Y207 V209	R115-I117 WeakPolarHBondContact O-CG1 3.08Å; R115-I117 PolarHBondContact O-N 2.01Å; I117-Y207 HydrophobicContact CB-CD2 4.37Å; I117-Y207 HydrophobicContact CB-CE1 4.08Å; I117-Y207 HydrophobicContact CB-CE2 3.77Å; I117-Y207 HydrophobicContact CD1-CE2 3.96Å; I117-Y207 HydrophobicContact CG1-CE2 4.04Å; I117-Y207 PolarHBondContact N-O 3.37Å; I117-Y207 WeakPolarHBondContact O-CD1 2.87Å; I117-Y207 PolarHBondContact O-N 3.06Å; I117-V209 HydrophobicContact CD1-CB 3.74Å; I117-V209 HydrophobicContact CD1-CG2 3.2Å; I117-V209 HydrophobicContact CG1-CB 4.25Å; I117-V209 HydrophobicContact CG1-CG2 3.78Å
118	Y	63.8	Low	54.6	Low	59 Å²	59	60 Å²	60	23%	0.231	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.3	172.8	58.8	-93.5	0	0	0	109.5	L140 D141 I144 C205	Y118-L140 HydrophobicContact CD2-CD2 4.12Å; Y118-L140 HydrophobicContact CE2-CD2 3.64Å; Y118-L140 HydrophobicContact CE2-CG 4.26Å; Y118-D141 PolarHBondContact OH-OD1 3.37Å; Y118-I144 HydrophobicContact CD1-CD1 3.24Å; Y118-I144 HydrophobicContact CD2-CD1 3.55Å; Y118-I144 HydrophobicContact CE1-CD1 3.65Å; Y118-I144 HydrophobicContact CE2-CD1 3.97Å; Y118-I144 HydrophobicContact CG-CD1 3.15Å; Y118-C205 CarbonylContact C-O 3.53Å; Y118-C205 WeakPolarHBondContact CA-O 3.43Å
119	T	65.6	Low	55.2	Low	7 Å²	7	58 Å²	58	4%	0.043	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.7	178.1	-56.8	0	0	0	0	109.4	V121 L186 I192 S204 C205 Y207	T119-V121 WeakPolarHBondContact O-CG2 3.35Å; T119-V121 PolarHBondContact O-N 3.14Å; T119-L186 HydrophobicContact CG2-CD2 3.25Å; T119-I192 HydrophobicContact CG2-CB 4.27Å; T119-S204 WeakPolarHBondContact O-CA 3Å; T119-C205 PolarHBondContact N-O 3.47Å; T119-C205 PolarHBondContact O-N 2.99Å; T119-C205 VanDerWaalsContact O-N 3.09Å; T119-Y207 WeakPolarHBondContact OG1-CE1 3.34Å; T119-Y207 PolarHBondContact OG1-OH 3Å
120	P	65.7	Low	55.8	Low	8 Å²	8	57.5 Å²	57.5	5%	0.052	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	133.2	168.4	-20.3	30.6	0	0	0	110.9	I192 P195 Y203	P120-I192 HydrophobicContact CB-CG2 4.32Å; P120-I192 HydrophobicContact CG-CG2 3.8Å; P120-P195 HydrophobicContact CG-CB 4.47Å; P120-Y203 CarbonylContact C-O 3.55Å; P120-Y203 WeakPolarHBondContact CA-O 3.33Å
121	V	63.3	Low	56.8	Low	13 Å²	13	57.4 Å²	57.4	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.6	-179.2	-172.7	0	0	0	0	107.8	T119 M125 Y203 C205	T119-V121 WeakPolarHBondContact O-CG2 3.35Å; T119-V121 PolarHBondContact O-N 3.14Å; V121-M125 HydrophobicContact CG1-CB 4.13Å; V121-M125 HydrophobicContact CG1-CE 3.49Å; V121-M125 VanDerWaalsContact CG1-CE 3.49Å; V121-M125 HydrophobicContact CG1-CG 3.94Å; V121-M125 HydrophobicContact CG1-SD 3.59Å; V121-M125 VanDerWaalsContact CG1-SD 3.59Å; V121-Y203 HydrophobicContact CB-CD1 3.36Å; V121-Y203 HydrophobicContact CB-CE1 3.89Å; V121-Y203 HydrophobicContact CB-CG 4.19Å; V121-Y203 HydrophobicContact CG1-CD1 3.68Å; V121-Y203 HydrophobicContact CG1-CE1 3.97Å; V121-Y203 HydrophobicContact CG2-CD1 3.74Å; V121-Y203 HydrophobicContact CG2-CE1 3.84Å; V121-Y203 PolarHBondContact N-O 3.41Å; V121-C205 HydrophobicContact CG2-CB 4.13Å
122	P	63.1	Low	57.4	Low	58 Å²	58	55.7 Å²	55.7	38%	0.377	28%	0.28	S	S	.	.			trans	-59.6	145.6	-178.8	18	-30.4	0	0	0	113.7	S124 M125	P122-S124 PolarHBondContact O-N 3.39Å; P122-S124 VanDerWaalsContact O-N 3.08Å; P122-M125 HydrophobicContact CG-CE 3.95Å; P122-M125 PolarHBondContact O-N 3.42Å
123	D	63.5	Low	58.1	Low	73 Å²	73	57.6 Å²	57.6	39%	0.39	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56.6	-25.5	-178.5	-89.5	1.6	0	0	0	113.5	M125 L126	D123-M125 PolarHBondContact O-N 2.69Å; D123-M125 VanDerWaalsContact O-N 3.08Å; D123-L126 HydrophobicContact CB-CD1 3.98Å; D123-L126 VanDerWaalsContact O-CB 3.23Å; D123-L126 WeakPolarHBondContact O-CB 3.31Å; D123-L126 WeakPolarHBondContact O-CG 3.37Å; D123-L126 PolarHBondContact O-N 3.2Å; D123-L126 WeakPolarHBondContact OD1-CD1 3.45Å
124	S	61.7	Low	59.3	Low	91 Å²	91	53.9 Å²	53.9	64%	0.636	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-59.2	-20.5	176.1	56.4	0	0	0	0	113.6	P122	P122-S124 PolarHBondContact O-N 3.39Å; P122-S124 VanDerWaalsContact O-N 3.08Å
125	M	58.9	Low	60.2	Low	24 Å²	24	58.8 Å²	58.8	12%	0.118	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-85.7	-12.6	177.3	-57.3	-148.5	-145.5	0	0	113.3	V121 P122 D123 D127 E128 I129 W177 K185	V121-M125 HydrophobicContact CG1-CB 4.13Å; V121-M125 HydrophobicContact CG1-CE 3.49Å; V121-M125 VanDerWaalsContact CG1-CE 3.49Å; V121-M125 HydrophobicContact CG1-CG 3.94Å; V121-M125 HydrophobicContact CG1-SD 3.59Å; V121-M125 VanDerWaalsContact CG1-SD 3.59Å; P122-M125 HydrophobicContact CG-CE 3.95Å; P122-M125 PolarHBondContact O-N 3.42Å; D123-M125 PolarHBondContact O-N 2.69Å; D123-M125 VanDerWaalsContact O-N 3.08Å; M125-D127 PolarHBondContact O-N 2.72Å; M125-D127 VanDerWaalsContact O-N 3.14Å; M125-E128 PolarHBondContact O-N 2.78Å; M125-I129 HydrophobicContact CB-CD1 4.44Å; M125-I129 WeakPolarHBondContact O-CD1 3.18Å; M125-I129 WeakPolarHBondContact O-CG1 3.23Å; M125-W177 HydrophobicContact CB-CH2 4.33Å; M125-W177 HydrophobicContact SD-CH2 3.75Å; M125-W177 HydrophobicContact SD-CZ3 4.49Å; M125-K185 HydrophobicContact CE-CB 4.31Å; M125-K185 HydrophobicContact CE-CD 3.74Å; M125-K185 HydrophobicContact SD-CD 3.45Å; M125-K185 WeakPolarHBondContact SD-CD 3.38Å
126	L	61.6	Low	61.4	Low	29 Å²	29	57.4 Å²	57.4	15%	0.152	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-56.5	-30.9	-179.8	-75.3	166.9	0	0	0	113.1	D123 E128 I129 V158 Y203	D123-L126 HydrophobicContact CB-CD1 3.98Å; D123-L126 VanDerWaalsContact O-CB 3.23Å; D123-L126 WeakPolarHBondContact O-CB 3.31Å; D123-L126 WeakPolarHBondContact O-CG 3.37Å; D123-L126 PolarHBondContact O-N 3.2Å; D123-L126 WeakPolarHBondContact OD1-CD1 3.45Å; L126-E128 PolarHBondContact O-N 2.89Å; L126-I129 PolarHBondContact O-N 2.86Å; L126-V158 HydrophobicContact CD2-CB 4.1Å; L126-V158 HydrophobicContact CD2-CG1 3.56Å; L126-V158 HydrophobicContact CD2-CG2 3.36Å; L126-Y203 HydrophobicContact CD2-CG 4.41Å
127	D	59.6	Low	62.3	Low	146 Å²	146	55.9 Å²	55.9	78%	0.781	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-69.1	-24.2	-178.9	-65.4	-25.9	0	0	0	113	M125 I129	M125-D127 PolarHBondContact O-N 2.72Å; M125-D127 VanDerWaalsContact O-N 3.14Å; D127-I129 VanDerWaalsContact C-N 3.25Å; D127-I129 PolarHBondContact O-N 3.43Å
128	E	51.7	Low	63.1	Low	109 Å²	109	62.1 Å²	62.1	51%	0.509	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-81.6	-6.8	177.4	-63.5	-179.2	-168.8	0	0	112.3	M125 L126 W177 K185	M125-E128 PolarHBondContact O-N 2.78Å; L126-E128 PolarHBondContact O-N 2.89Å; E128-W177 HydrophobicContact CB-CZ2 4.12Å; E128-W177 WeakPolarHBondContact OE2-CZ2 3.5Å; E128-K185 IonicContact OE1-NZ 2.72Å; E128-K185 IonicContact OE2-NZ 2.7Å; E128-K185 PolarHBondContact OE2-NZ 3.48Å
129	I	55.4	Low	63.6	Low	9 Å²	9	61.4 Å²	61.4	5%	0.046	32%	0.317	C	S	.	.			trans	-115.7	128.1	-163.8	-57	159.2	0	0	0	109.8	M125 L126 D127 P131 A175 W177 Y203	M125-I129 HydrophobicContact CB-CD1 4.44Å; M125-I129 WeakPolarHBondContact O-CD1 3.18Å; M125-I129 WeakPolarHBondContact O-CG1 3.23Å; L126-I129 PolarHBondContact O-N 2.86Å; D127-I129 VanDerWaalsContact C-N 3.25Å; D127-I129 PolarHBondContact O-N 3.43Å; I129-P131 WeakPolarHBondContact O-CD 3.42Å; I129-A175 HydrophobicContact CG2-CB 3.2Å; I129-W177 HydrophobicContact CG1-CD2 4.35Å; I129-W177 HydrophobicContact CG1-CZ2 4.29Å; I129-Y203 HydrophobicContact CD1-CD1 3.4Å; I129-Y203 VanDerWaalsContact CD1-CD1 3.4Å; I129-Y203 HydrophobicContact CD1-CD2 3.77Å; I129-Y203 HydrophobicContact CD1-CE1 3.17Å; I129-Y203 HydrophobicContact CD1-CE2 3.45Å; I129-Y203 VanDerWaalsContact CD1-CE2 3.45Å; I129-Y203 HydrophobicContact CD1-CG 3.77Å; I129-Y203 HydrophobicContact CG1-CE1 4.34Å; I129-Y203 HydrophobicContact CG1-CE2 4.38Å; I129-Y203 HydrophobicContact CG2-CE2 4.26Å
130	T	53.2	Low	63.9	Low	26 Å²	26	61.7 Å²	61.7	16%	0.16	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	105.9	175.3	-68.3	0	0	0	0	110.1	R323	T130-R323 HydrophobicContact CG2-CG 4.4Å; T130-R323 PolarHBondContact OG1-NE 2.68Å
131	P	59.7	Low	64	Low	57 Å²	57	65.8 Å²	65.8	37%	0.37	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.7	169	28	-32.8	0	0	0	109.8	I129 K173 F174	I129-P131 WeakPolarHBondContact O-CD 3.42Å; P131-K173 HydrophobicContact CB-CB 3.68Å; P131-K173 HydrophobicContact CB-CD 4.13Å; P131-K173 HydrophobicContact CB-CG 4.24Å; P131-K173 HydrophobicContact CG-CD 4.4Å; P131-F174 CarbonylContact C-O 3.52Å; P131-F174 VanDerWaalsContact CA-O 3.22Å; P131-F174 WeakPolarHBondContact CA-O 3.31Å
132	Y	53.8	Low	64.4	Low	35 Å²	35	68.5 Å²	68.5	14%	0.137	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-10.6	-173.6	62.5	-95.6	0	0	0	114.1	L151 F174 Y176 F321	Y132-L151 HydrophobicContact CE2-CD1 3.58Å; Y132-L151 HydrophobicContact CE2-CD2 3.78Å; Y132-L151 HydrophobicContact CE2-CG 4.27Å; Y132-L151 VanDerWaalsContact OH-CD1 3.31Å; Y132-L151 WeakPolarHBondContact OH-CD1 3.39Å; Y132-F174 HydrophobicContact CD1-CB 4.41Å; Y132-F174 WeakPolarHBondContact CD1-O 3.13Å; Y132-F174 HydrophobicContact CD2-CB 4.41Å; Y132-F174 VanDerWaalsContact CE1-C 3.41Å; Y132-F174 HydrophobicContact CE1-CB 3.81Å; Y132-F174 WeakPolarHBondContact CE1-O 3.33Å; Y132-F174 HydrophobicContact CE2-CB 3.79Å; Y132-F174 VanDerWaalsContact CZ-CB 3.47Å; Y132-F174 PolarHBondContact N-O 2.75Å; Y132-Y176 AromaticContact CD1-CD2 3.53Å; Y132-Y176 HydrophobicContact CD1-CD2 3.53Å; Y132-Y176 HydrophobicContact CD1-CE2 4.33Å; Y132-Y176 HydrophobicContact CD1-CG 4.34Å; Y132-Y176 AromaticContact CE1-CD2 3.19Å; Y132-Y176 HydrophobicContact CE1-CD2 3.19Å; Y132-Y176 AromaticContact CE1-CE2 3.77Å; Y132-Y176 HydrophobicContact CE1-CE2 3.77Å; Y132-Y176 AromaticContact CE1-CG 3.96Å; Y132-Y176 HydrophobicContact CE1-CG 3.96Å; Y132-Y176 HydrophobicContact CE2-CD2 4.33Å; Y132-Y176 HydrophobicContact CE2-CE2 4.2Å; Y132-Y176 HydrophobicContact CG-CD2 4.21Å; Y132-Y176 AromaticContact CZ-CD2 3.63Å; Y132-Y176 AromaticContact CZ-CE2 3.68Å; Y132-F321 HydrophobicContact CD2-CE1 4.09Å; Y132-F321 HydrophobicContact CG-CD1 4.49Å; Y132-F321 HydrophobicContact CG-CE1 4.26Å
133	M	59.3	Low	65.1	Low	54 Å²	54	65.7 Å²	65.7	27%	0.266	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	133.7	176	-177.2	-179.4	-55.8	0	0	109.4	R135 K173 F174	M133-R135 HydrophobicContact CG-CG 4.49Å; M133-K173 CarbonylContact O-C 3.58Å; M133-K173 VanDerWaalsContact O-CA 3.26Å; M133-K173 WeakPolarHBondContact O-CA 3.4Å; M133-F174 HydrophobicContact CB-CB 4.48Å; M133-F174 HydrophobicContact CB-CD2 3.77Å; M133-F174 HydrophobicContact CG-CD2 3.95Å; M133-F174 HydrophobicContact CG-CE2 4.23Å; M133-F174 PolarHBondContact O-N 2.81Å; M133-F174 HydrophobicContact SD-CD2 3.85Å; M133-F174 HydrophobicContact SD-CE2 3.87Å
134	L	67	Low	65.5	Low	95 Å²	95	62.7 Å²	62.7	50%	0.497	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.7	-176.1	-155.1	151.5	0	0	0	109.3	L171 C172 K173	L134-L171 HydrophobicContact CD2-CB 4.15Å; L134-L171 HydrophobicContact CD2-CD1 4.06Å; L134-L171 HydrophobicContact CD2-CD2 3.73Å; L134-L171 HydrophobicContact CD2-CG 4.16Å; L134-C172 CarbonylContact C-O 3.52Å; L134-C172 WeakPolarHBondContact CA-O 3.42Å; L134-K173 HydrophobicContact CB-CG 4.48Å; L134-K173 HydrophobicContact CD1-CD 4.17Å; L134-K173 HydrophobicContact CD1-CG 3.82Å; L134-K173 HydrophobicContact CG-CG 3.79Å
135	R	68.7	Low	65.7	Low	106 Å²	106	60.4 Å²	60.4	40%	0.4	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.7	-178.8	-72.3	-67.9	172	166.9	5.6	110.9	M133 M146 L171 C172 F174	M133-R135 HydrophobicContact CG-CG 4.49Å; R135-M146 HydrophobicContact CB-CE 4.2Å; R135-M146 HydrophobicContact CB-SD 4.4Å; R135-M146 HydrophobicContact CG-CE 3.83Å; R135-L171 CarbonylContact O-C 3.53Å; R135-L171 WeakPolarHBondContact O-CA 3.02Å; R135-C172 PolarHBondContact N-O 3.14Å; R135-C172 PolarHBondContact O-N 2.72Å; R135-F174 HydrophobicContact CG-CE2 4.07Å; R135-F174 HydrophobicContact CG-CZ 4.4Å
136	K	77.5	Confident	66.2	Low	112 Å²	112	60.6 Å²	60.6	49%	0.487	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.4	168	-68.9	175.8	177.8	-177.7	0	107.9	D167 K169 L171	K136-D167 WeakPolarHBondContact CE-OD2 3.45Å; K136-D167 IonicContact NZ-OD2 2.67Å; K136-D167 PolarHBondContact NZ-OD2 2.79Å; K136-K169 HydrophobicContact CD-CD 3.91Å; K136-L171 HydrophobicContact CG-CD2 3.75Å
137	V	75.7	Confident	66.6	Low	11 Å²	11	59.2 Å²	59.2	7%	0.067	30%	0.295	C	S	.	.			trans	-135	165.5	178.5	-68.5	0	0	0	0	109	E142 C143 M146 Y159 A170 C172	V137-E142 HydrophobicContact CB-CB 4.43Å; V137-E142 HydrophobicContact CB-CG 4.42Å; V137-E142 HydrophobicContact CG1-CG 4.3Å; V137-C143 HydrophobicContact CG1-CB 4.33Å; V137-C143 HydrophobicContact CG2-CB 4.26Å; V137-M146 HydrophobicContact CG1-SD 3.96Å; V137-Y159 HydrophobicContact CG2-CD2 3.91Å; V137-Y159 HydrophobicContact CG2-CE2 3.73Å; V137-A170 HydrophobicContact CG2-CB 4.47Å; V137-A170 PolarHBondContact N-O 3.27Å; V137-A170 WeakPolarHBondContact O-CB 3.4Å; V137-A170 VanDerWaalsContact O-O 3.07Å; V137-C172 HydrophobicContact CB-CB 4.23Å; V137-C172 HydrophobicContact CG1-CB 3.53Å; V137-C172 HydrophobicContact CG2-CB 3.62Å
138	K	75.8	Confident	66.7	Low	183 Å²	183	54.6 Å²	54.6	80%	0.796	27%	0.27	S	S	*	.	S	Bend	trans	-97	-27.8	176.3	-59.7	175.7	-177.1	177.5	0	112.2	E142	K138-E142 VanDerWaalsContact CB-OE2 3.26Å; K138-E142 WeakPolarHBondContact CB-OE2 2.97Å; K138-E142 WeakPolarHBondContact CG-OE2 3.4Å; K138-E142 PolarHBondContact N-OE2 3.29Å
139	S	74.2	Confident	66.8	Low	43 Å²	43	53.1 Å²	53.1	30%	0.301	26%	0.263	S	S	.	.	S	Bend	trans	-150.1	167.8	-177.2	67.5	0	0	0	0	112.3	D141 E142 C143 Y159	S139-D141 VanDerWaalsContact C-N 3.33Å; S139-E142 PolarHBondContact O-N 3.32Å; S139-E142 PolarHBondContact OG-N 3.47Å; S139-C143 PolarHBondContact O-N 3.13Å; S139-C143 VanDerWaalsContact O-N 3.14Å; S139-Y159 VanDerWaalsContact C-CE2 3.4Å
140	L	72.8	Confident	66.6	Low	13 Å²	13	58.2 Å²	58.2	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-39.5	171.1	176.5	62.3	0	0	0	111.5	Y118 E142 C143 I144 V157 Y159 P195	Y118-L140 HydrophobicContact CD2-CD2 4.12Å; Y118-L140 HydrophobicContact CE2-CD2 3.64Å; Y118-L140 HydrophobicContact CE2-CG 4.26Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.36Å; L140-C143 WeakPolarHBondContact O-CA 3.14Å; L140-C143 VanDerWaalsContact O-CB 3.25Å; L140-C143 WeakPolarHBondContact O-CB 3.45Å; L140-C143 PolarHBondContact O-N 3.38Å; L140-C143 VanDerWaalsContact O-N 3.11Å; L140-I144 HydrophobicContact CD1-CD1 4.07Å; L140-I144 HydrophobicContact CD1-CG1 4.24Å; L140-I144 HydrophobicContact CG-CD1 3.99Å; L140-I144 WeakPolarHBondContact O-CG1 3.16Å; L140-I144 PolarHBondContact O-N 2.94Å; L140-V157 HydrophobicContact CD1-CG2 4.2Å; L140-Y159 HydrophobicContact CB-CD1 4.21Å; L140-Y159 HydrophobicContact CB-CD2 4.4Å; L140-Y159 HydrophobicContact CB-CG 4.14Å; L140-Y159 HydrophobicContact CD1-CG 4.08Å; L140-P195 HydrophobicContact CD2-CG 4.25Å
141	D	68.5	Low	66.5	Low	94 Å²	94	58 Å²	58	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-39.6	177.6	-62.9	-54.5	0	0	0	112	Y118 S139 C143 I144 S145	Y118-D141 PolarHBondContact OH-OD1 3.37Å; S139-D141 VanDerWaalsContact C-N 3.33Å; D141-C143 VanDerWaalsContact C-N 3.34Å; D141-I144 PolarHBondContact O-N 3.19Å; D141-S145 VanDerWaalsContact O-CB 3.3Å; D141-S145 WeakPolarHBondContact O-CB 3.18Å; D141-S145 PolarHBondContact O-N 2.8Å
142	E	71.7	Confident	65.9	Low	70 Å²	70	57.2 Å²	57.2	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-38.6	174.3	-172.7	178.5	-165.7	0	0	111.2	V137 K138 S139 L140 S145 M146	V137-E142 HydrophobicContact CB-CB 4.43Å; V137-E142 HydrophobicContact CB-CG 4.42Å; V137-E142 HydrophobicContact CG1-CG 4.3Å; K138-E142 VanDerWaalsContact CB-OE2 3.26Å; K138-E142 WeakPolarHBondContact CB-OE2 2.97Å; K138-E142 WeakPolarHBondContact CG-OE2 3.4Å; K138-E142 PolarHBondContact N-OE2 3.29Å; S139-E142 PolarHBondContact O-N 3.32Å; S139-E142 PolarHBondContact OG-N 3.47Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.36Å; E142-S145 PolarHBondContact O-N 2.95Å; E142-M146 WeakPolarHBondContact O-CB 3.44Å; E142-M146 WeakPolarHBondContact O-CG 3.2Å; E142-M146 PolarHBondContact O-N 3.15Å
143	C	76.3	Confident	65.8	Low	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-46.9	174.7	-179.4	0	0	0	0	111.8	V137 S139 L140 D141 M146 C147 Y159 C172 F174	V137-C143 HydrophobicContact CG1-CB 4.33Å; V137-C143 HydrophobicContact CG2-CB 4.26Å; S139-C143 PolarHBondContact O-N 3.13Å; S139-C143 VanDerWaalsContact O-N 3.14Å; L140-C143 WeakPolarHBondContact O-CA 3.14Å; L140-C143 VanDerWaalsContact O-CB 3.25Å; L140-C143 WeakPolarHBondContact O-CB 3.45Å; L140-C143 PolarHBondContact O-N 3.38Å; L140-C143 VanDerWaalsContact O-N 3.11Å; D141-C143 VanDerWaalsContact C-N 3.34Å; C143-M146 PolarHBondContact O-N 2.91Å; C143-C147 WeakPolarHBondContact O-CB 3.46Å; C143-C147 PolarHBondContact O-N 3.13Å; C143-Y159 HydrophobicContact CB-CD2 4.31Å; C143-C172 WeakPolarHBondContact CA-SG 3.47Å; C143-C172 HydrophobicContact CB-CB 3.55Å; C143-C172 WeakPolarHBondContact CB-SG 3.29Å; C143-C172 VanDerWaalsContact SG-CA 3.6Å; C143-C172 WeakPolarHBondContact SG-CB 3.39Å; C143-C172 CovalentContact SG-SG 2.01Å; C143-C172 PolarHBondContact SG-SG 2.95Å; C143-F174 WeakPolarHBondContact O-CE1 3.32Å
144	I	71.5	Confident	65.8	Low	10 Å²	10	55.3 Å²	55.3	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-43.6	178.8	-66.6	173	0	0	0	111	Y118 L140 D141 M146 C147 L148 V157 I206	Y118-I144 HydrophobicContact CD1-CD1 3.24Å; Y118-I144 HydrophobicContact CD2-CD1 3.55Å; Y118-I144 HydrophobicContact CE1-CD1 3.65Å; Y118-I144 HydrophobicContact CE2-CD1 3.97Å; Y118-I144 HydrophobicContact CG-CD1 3.15Å; L140-I144 HydrophobicContact CD1-CD1 4.07Å; L140-I144 HydrophobicContact CD1-CG1 4.24Å; L140-I144 HydrophobicContact CG-CD1 3.99Å; L140-I144 WeakPolarHBondContact O-CG1 3.16Å; L140-I144 PolarHBondContact O-N 2.94Å; D141-I144 PolarHBondContact O-N 3.19Å; I144-M146 VanDerWaalsContact C-N 3.33Å; I144-M146 PolarHBondContact O-N 3.03Å; I144-C147 VanDerWaalsContact O-CB 3.31Å; I144-C147 WeakPolarHBondContact O-CB 3.15Å; I144-C147 PolarHBondContact O-N 2.77Å; I144-C147 VanDerWaalsContact O-N 3.16Å; I144-L148 HydrophobicContact CG2-CD1 4.07Å; I144-L148 WeakPolarHBondContact O-CG 3.43Å; I144-L148 PolarHBondContact O-N 3.2Å; I144-V157 HydrophobicContact CG1-CG2 3.8Å; I144-I206 HydrophobicContact CB-CD1 4.49Å; I144-I206 HydrophobicContact CG1-CD1 4.32Å; I144-I206 HydrophobicContact CG2-CD1 3.94Å; I144-I206 HydrophobicContact CG2-CG1 4.23Å
145	S	67.1	Low	65.6	Low	42 Å²	42	54.3 Å²	54.3	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-57	-48.3	175.1	179.8	0	0	0	0	110.7	D141 E142 C147 L148 E149	D141-S145 VanDerWaalsContact O-CB 3.3Å; D141-S145 WeakPolarHBondContact O-CB 3.18Å; D141-S145 PolarHBondContact O-N 2.8Å; E142-S145 PolarHBondContact O-N 2.95Å; S145-C147 VanDerWaalsContact C-N 3.31Å; S145-C147 PolarHBondContact O-N 3.13Å; S145-L148 PolarHBondContact O-N 3.24Å; S145-E149 WeakPolarHBondContact O-CB 3.32Å; S145-E149 VanDerWaalsContact O-CG 3.3Å; S145-E149 WeakPolarHBondContact O-CG 3.14Å; S145-E149 PolarHBondContact O-N 2.95Å
146	M	68.8	Low	65.6	Low	28 Å²	28	49.2 Å²	49.2	14%	0.138	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-35.6	177.4	-74.5	-168.2	68.4	0	0	113.6	R135 V137 E142 C143 I144 R150 F174	R135-M146 HydrophobicContact CB-CE 4.2Å; R135-M146 HydrophobicContact CB-SD 4.4Å; R135-M146 HydrophobicContact CG-CE 3.83Å; V137-M146 HydrophobicContact CG1-SD 3.96Å; E142-M146 WeakPolarHBondContact O-CB 3.44Å; E142-M146 WeakPolarHBondContact O-CG 3.2Å; E142-M146 PolarHBondContact O-N 3.15Å; C143-M146 PolarHBondContact O-N 2.91Å; I144-M146 VanDerWaalsContact C-N 3.33Å; I144-M146 PolarHBondContact O-N 3.03Å; M146-R150 VanDerWaalsContact CE-NH1 3.35Å; M146-R150 VanDerWaalsContact O-CB 3.31Å; M146-R150 WeakPolarHBondContact O-CB 3.37Å; M146-R150 PolarHBondContact O-N 3.14Å; M146-F174 HydrophobicContact CB-CE1 4.06Å; M146-F174 HydrophobicContact CB-CZ 3.6Å; M146-F174 HydrophobicContact CE-CZ 4.3Å
147	C	69.3	Low	65.5	Low	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-49.2	175.9	170	0	0	0	0	110.2	C143 I144 S145 L151 C154 V157 F174 I206	C143-C147 WeakPolarHBondContact O-CB 3.46Å; C143-C147 PolarHBondContact O-N 3.13Å; I144-C147 VanDerWaalsContact O-CB 3.31Å; I144-C147 WeakPolarHBondContact O-CB 3.15Å; I144-C147 PolarHBondContact O-N 2.77Å; I144-C147 VanDerWaalsContact O-N 3.16Å; S145-C147 VanDerWaalsContact C-N 3.31Å; S145-C147 PolarHBondContact O-N 3.13Å; C147-L151 PolarHBondContact O-N 2.64Å; C147-L151 VanDerWaalsContact O-N 3.16Å; C147-C154 VanDerWaalsContact CA-SG 3.59Å; C147-C154 HydrophobicContact CB-CB 3.98Å; C147-C154 WeakPolarHBondContact CB-SG 3.15Å; C147-C154 WeakPolarHBondContact O-CB 3.49Å; C147-C154 VanDerWaalsContact SG-C 3.56Å; C147-C154 WeakPolarHBondContact SG-CB 3.45Å; C147-C154 PolarHBondContact SG-O 1.99Å; C147-C154 CovalentContact SG-SG 2Å; C147-C154 PolarHBondContact SG-SG 3.16Å; C147-V157 HydrophobicContact CB-CG1 3.51Å; C147-V157 WeakPolarHBondContact SG-CG1 3.45Å; C147-F174 HydrophobicContact CB-CD1 3.69Å; C147-F174 HydrophobicContact CB-CE1 3.69Å; C147-I206 HydrophobicContact CB-CD1 4.24Å; C147-I206 WeakPolarHBondContact SG-CD1 3.35Å
148	L	62.1	Low	65.4	Low	50 Å²	50	43.7 Å²	43.7	26%	0.262	21%	0.21	S	C	.	.	H	α-helix	trans	-67.1	-40.2	176.5	-65.2	167.8	0	0	0	113.1	I116 I144 S145 I206	I116-L148 HydrophobicContact CD1-CD1 3.63Å; I116-L148 HydrophobicContact CD1-CD2 3.93Å; I116-L148 HydrophobicContact CD1-CG 4.43Å; I116-L148 HydrophobicContact CG2-CD1 4.24Å; I144-L148 HydrophobicContact CG2-CD1 4.07Å; I144-L148 WeakPolarHBondContact O-CG 3.43Å; I144-L148 PolarHBondContact O-N 3.2Å; S145-L148 PolarHBondContact O-N 3.24Å; L148-I206 HydrophobicContact CD2-CG2 4.28Å
149	E	54.5	Low	65.4	Low	77 Å²	77	36.3 Å²	36.3	36%	0.36	18%	0.177	S	C	.	.	H	α-helix	trans	-69.5	-33.6	-178	-74.8	-168.1	160.2	0	0	112.9	S145 L227	S145-E149 WeakPolarHBondContact O-CB 3.32Å; S145-E149 VanDerWaalsContact O-CG 3.3Å; S145-E149 WeakPolarHBondContact O-CG 3.14Å; S145-E149 PolarHBondContact O-N 2.95Å; E149-L227 HydrophobicContact CB-CD1 4.14Å; E149-L227 HydrophobicContact CG-CD1 3.54Å; E149-L227 WeakPolarHBondContact OE1-CD1 3.31Å
150	R	50.6	Low	65.4	Low	116 Å²	116	34.6 Å²	34.6	44%	0.438	16%	0.164	S	C	.	.	H	α-helix	trans	-98.3	-31.4	-171.7	-78.1	-173.7	163	172.8	1.8	114.8	M146	M146-R150 VanDerWaalsContact CE-NH1 3.35Å; M146-R150 VanDerWaalsContact O-CB 3.31Å; M146-R150 WeakPolarHBondContact O-CB 3.37Å; M146-R150 PolarHBondContact O-N 3.14Å
151	L	51.9	Low	65.3	Low	21 Å²	21	35.4 Å²	35.4	11%	0.11	17%	0.17	C	C	.	.			trans	-135.1	103.9	-164.3	-73.7	136.4	0	0	0	107.2	Y132 C147 F153 C154 F174	Y132-L151 HydrophobicContact CE2-CD1 3.58Å; Y132-L151 HydrophobicContact CE2-CD2 3.78Å; Y132-L151 HydrophobicContact CE2-CG 4.27Å; Y132-L151 VanDerWaalsContact OH-CD1 3.31Å; Y132-L151 WeakPolarHBondContact OH-CD1 3.39Å; C147-L151 PolarHBondContact O-N 2.64Å; C147-L151 VanDerWaalsContact O-N 3.16Å; L151-F153 PolarHBondContact O-N 2.97Å; L151-C154 HydrophobicContact CB-CB 3.67Å; L151-C154 WeakPolarHBondContact O-CB 3.36Å; L151-C154 PolarHBondContact O-N 2.02Å; L151-F174 HydrophobicContact CD1-CB 4.41Å; L151-F174 HydrophobicContact CD1-CD2 3.79Å; L151-F174 HydrophobicContact CD1-CE2 4.45Å; L151-F174 HydrophobicContact CD1-CG 4.2Å
152	M	47	Very low	65	Low	42 Å²	42	33.8 Å²	33.8	21%	0.207	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-9.2	178.3	-80.9	165.3	14.5	0	0	114.8	L104 L108	L104-M152 HydrophobicContact CB-CE 3.82Å; L104-M152 HydrophobicContact CB-CG 4.27Å; L104-M152 HydrophobicContact CB-SD 3.27Å; L104-M152 WeakPolarHBondContact CB-SD 3.36Å; L104-M152 HydrophobicContact CD1-CE 3.67Å; L104-M152 HydrophobicContact CD1-SD 3.68Å; L104-M152 HydrophobicContact CD2-CE 3.7Å; L104-M152 HydrophobicContact CD2-SD 4.33Å; L104-M152 HydrophobicContact CG-CE 3.92Å; L104-M152 HydrophobicContact CG-SD 3.91Å; L108-M152 HydrophobicContact CD1-CB 4.01Å; L108-M152 HydrophobicContact CD1-CG 4.43Å; L108-M152 WeakPolarHBondContact CD1-O 3.38Å; L108-M152 WeakPolarHBondContact CD2-O 3.27Å
153	F	50.9	Low	64.6	Low	43 Å²	43	39.7 Å²	39.7	19%	0.189	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	26.4	-176.8	-53.2	-71.1	0	0	0	112.3	L108 L151 Y155 Y176	L108-F153 HydrophobicContact CD1-CE1 4.15Å; L151-F153 PolarHBondContact O-N 2.97Å; F153-Y155 HydrophobicContact CB-CE2 3.9Å; F153-Y155 HydrophobicContact CD1-CE2 4.39Å; F153-Y155 WeakPolarHBondContact O-CD2 3.05Å; F153-Y155 WeakPolarHBondContact O-CE2 3.38Å; F153-Y155 PolarHBondContact O-N 2.91Å; F153-Y155 VanDerWaalsContact O-N 3.13Å; F153-Y176 HydrophobicContact CB-CE1 4.12Å
154	C	60.6	Low	63.5	Low	6 Å²	6	45.1 Å²	45.1	4%	0.041	21%	0.213	C	C	.	.			trans	-82.6	93.9	178.2	-171.9	0	0	0	0	109.3	C147 L151	C147-C154 VanDerWaalsContact CA-SG 3.59Å; C147-C154 HydrophobicContact CB-CB 3.98Å; C147-C154 WeakPolarHBondContact CB-SG 3.15Å; C147-C154 WeakPolarHBondContact O-CB 3.49Å; C147-C154 VanDerWaalsContact SG-C 3.56Å; C147-C154 WeakPolarHBondContact SG-CB 3.45Å; C147-C154 PolarHBondContact SG-O 1.99Å; C147-C154 CovalentContact SG-SG 2Å; C147-C154 PolarHBondContact SG-SG 3.16Å; L151-C154 HydrophobicContact CB-CB 3.67Å; L151-C154 WeakPolarHBondContact O-CB 3.36Å; L151-C154 PolarHBondContact O-N 2.02Å
155	Y	62.6	Low	62.6	Low	73 Å²	73	45.2 Å²	45.2	29%	0.286	22%	0.215	S	C	.	.			trans	-93.4	-2.1	179	-61.7	-73.5	0	0	0	113.1	F153 A179 I206	F153-Y155 HydrophobicContact CB-CE2 3.9Å; F153-Y155 HydrophobicContact CD1-CE2 4.39Å; F153-Y155 WeakPolarHBondContact O-CD2 3.05Å; F153-Y155 WeakPolarHBondContact O-CE2 3.38Å; F153-Y155 PolarHBondContact O-N 2.91Å; F153-Y155 VanDerWaalsContact O-N 3.13Å; Y155-A179 HydrophobicContact CD1-CB 4.39Å; Y155-A179 HydrophobicContact CD2-CB 4.46Å; Y155-A179 HydrophobicContact CG-CB 4.37Å; Y155-I206 PolarHBondContact O-N 3.41Å
156	S	69	Low	62	Low	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	142.4	-174.2	77.1	0	0	0	0	113.5	A175 Y203 S204	S156-A175 PolarHBondContact O-N 3.01Å; S156-A175 VanDerWaalsContact O-O 3.12Å; S156-A175 VanDerWaalsContact OG-C 3.27Å; S156-A175 VanDerWaalsContact OG-CB 3.23Å; S156-A175 WeakPolarHBondContact OG-CB 3.24Å; S156-A175 PolarHBondContact OG-O 2.85Å; S156-Y203 WeakPolarHBondContact CB-OH 3.34Å; S156-Y203 PolarHBondContact OG-OH 3.5Å; S156-S204 VanDerWaalsContact CA-O 3.31Å; S156-S204 WeakPolarHBondContact CA-O 3.38Å
157	V	74	Confident	61.5	Low	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.1	179.1	-60.7	0	0	0	0	111.3	L140 I144 C147 K173 F174 Y203 S204 I206	L140-V157 HydrophobicContact CD1-CG2 4.2Å; I144-V157 HydrophobicContact CG1-CG2 3.8Å; C147-V157 HydrophobicContact CB-CG1 3.51Å; C147-V157 WeakPolarHBondContact SG-CG1 3.45Å; V157-K173 WeakPolarHBondContact CA-O 3.5Å; V157-F174 HydrophobicContact CG1-CD1 3.95Å; V157-F174 HydrophobicContact CG1-CE1 4.48Å; V157-Y203 CarbonylContact O-C 3.6Å; V157-Y203 WeakPolarHBondContact O-CA 3.25Å; V157-Y203 WeakPolarHBondContact O-CD2 3.32Å; V157-S204 PolarHBondContact N-O 2.83Å; V157-S204 PolarHBondContact O-N 3.31Å; V157-I206 HydrophobicContact CG1-CD1 4.06Å
158	V	74.9	Confident	61.2	Low	6 Å²	6	54.7 Å²	54.7	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.9	167.7	-178.9	0	0	0	0	107.9	L126 K173 Y203	L126-V158 HydrophobicContact CD2-CB 4.1Å; L126-V158 HydrophobicContact CD2-CG1 3.56Å; L126-V158 HydrophobicContact CD2-CG2 3.36Å; V158-K173 HydrophobicContact CB-CB 4.11Å; V158-K173 PolarHBondContact N-O 2.91Å; V158-K173 PolarHBondContact O-N 3.38Å; V158-Y203 HydrophobicContact CG2-CD2 3.69Å; V158-Y203 HydrophobicContact CG2-CE2 4.4Å; V158-Y203 HydrophobicContact CG2-CG 4.47Å
159	Y	75.5	Confident	61.3	Low	28 Å²	28	58 Å²	58	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.6	173.1	176.5	-103.3	0	0	0	110.2	V137 S139 L140 C143 T161 A170 L171 R201 A202	V137-Y159 HydrophobicContact CG2-CD2 3.91Å; V137-Y159 HydrophobicContact CG2-CE2 3.73Å; S139-Y159 VanDerWaalsContact C-CE2 3.4Å; L140-Y159 HydrophobicContact CB-CD1 4.21Å; L140-Y159 HydrophobicContact CB-CD2 4.4Å; L140-Y159 HydrophobicContact CB-CG 4.14Å; L140-Y159 HydrophobicContact CD1-CG 4.08Å; C143-Y159 HydrophobicContact CB-CD2 4.31Å; Y159-T161 HydrophobicContact CD1-CG2 4.45Å; Y159-T161 HydrophobicContact CE1-CG2 3.79Å; Y159-A170 HydrophobicContact CE2-CB 3.73Å; Y159-A170 WeakPolarHBondContact OH-CB 3.09Å; Y159-L171 CarbonylContact C-O 3.54Å; Y159-L171 WeakPolarHBondContact CA-O 3.14Å; Y159-R201 CarbonylContact O-C 3.49Å; Y159-R201 VanDerWaalsContact O-CA 3.3Å; Y159-R201 WeakPolarHBondContact O-CA 3.09Å; Y159-A202 PolarHBondContact N-O 3.08Å; Y159-A202 PolarHBondContact O-N 2.88Å
160	E	73.8	Confident	62.2	Low	7 Å²	7	54.6 Å²	54.6	3%	0.033	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.7	175	-85	170.6	-178.3	0	0	109.4	A170 L171 K173 R201	E160-A170 CarbonylContact O-C 3.57Å; E160-A170 WeakPolarHBondContact O-CA 3.08Å; E160-A170 WeakPolarHBondContact O-CB 2.88Å; E160-L171 HydrophobicContact CB-CB 4.16Å; E160-L171 PolarHBondContact N-O 3.29Å; E160-L171 PolarHBondContact O-N 3.25Å; E160-K173 VanDerWaalsContact CD-NZ 3.34Å; E160-K173 WeakPolarHBondContact OE1-CE 3.4Å; E160-K173 IonicContact OE1-NZ 2.68Å; E160-K173 PolarHBondContact OE1-NZ 3.2Å; E160-K173 WeakPolarHBondContact OE2-CE 3.11Å; E160-K173 IonicContact OE2-NZ 3.32Å; E160-K173 PolarHBondContact OE2-NZ 3.1Å; E160-R201 HydrophobicContact CG-CG 3.49Å; E160-R201 VanDerWaalsContact CG-CG 3.49Å; E160-R201 IonicContact OE1-CZ 3.01Å; E160-R201 IonicContact OE1-NE 2.71Å; E160-R201 PolarHBondContact OE1-NE 3.42Å; E160-R201 IonicContact OE1-NH2 2.65Å; E160-R201 PolarHBondContact OE1-NH2 3.18Å
161	T	69.5	Low	63.4	Low	31 Å²	31	49.6 Å²	49.6	19%	0.19	26%	0.259	C	S	.	.			trans	-68.4	157.1	173.5	59.3	0	0	0	0	111.4	Y159 K163 K164 T200	Y159-T161 HydrophobicContact CD1-CG2 4.45Å; Y159-T161 HydrophobicContact CE1-CG2 3.79Å; T161-K163 PolarHBondContact O-N 3.46Å; T161-K164 PolarHBondContact O-N 3.17Å; T161-T200 PolarHBondContact N-O 2.77Å; T161-T200 VanDerWaalsContact OG1-CA 3.25Å; T161-T200 WeakPolarHBondContact OG1-CA 2.98Å; T161-T200 PolarHBondContact OG1-O 2.77Å
162	P	64.2	Low	64.6	Low	60 Å²	60	48.6 Å²	48.6	39%	0.39	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-52.4	-31.5	-176	-28.7	36.7	0	0	0	114.9	K164 S165 G168 A170	P162-K164 PolarHBondContact O-N 3.13Å; P162-K164 VanDerWaalsContact O-N 3.17Å; P162-S165 PolarHBondContact O-N 2.9Å; P162-G168 WeakPolarHBondContact CB-O 3.47Å; P162-A170 HydrophobicContact CG-CB 4.05Å
163	K	62.4	Low	65.9	Low	193 Å²	193	48.4 Å²	48.4	84%	0.839	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.2	-175.8	-73.4	-173.8	176	-177.6	0	114.8	T161	T161-K163 PolarHBondContact O-N 3.46Å
164	K	54.1	Low	66.7	Low	115 Å²	115	46.4 Å²	46.4	50%	0.5	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-110	-6.7	179	-100.6	-163.8	177	179.5	0	114.3	T161 P162	T161-K164 PolarHBondContact O-N 3.17Å; P162-K164 PolarHBondContact O-N 3.13Å; P162-K164 VanDerWaalsContact O-N 3.17Å
165	S	52.2	Low	66.7	Low	12 Å²	12	46.1 Å²	46.1	8%	0.084	24%	0.241	C	C	.	.	S	Bend	trans	-77.9	132.1	177.3	171.2	0	0	0	0	109.3	P162 D167 G168 K169 L171	P162-S165 PolarHBondContact O-N 2.9Å; S165-D167 PolarHBondContact O-N 2.82Å; S165-D167 PolarHBondContact OG-N 2.62Å; S165-G168 PolarHBondContact O-N 3.14Å; S165-K169 WeakPolarHBondContact CB-O 3.45Å; S165-K169 PolarHBondContact OG-N 3.1Å; S165-K169 PolarHBondContact OG-O 2.74Å; S165-L171 WeakPolarHBondContact OG-CD1 3.43Å
166	T	54	Low	66.2	Low	140 Å²	140	46.1 Å²	46.1	86%	0.859	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-21.8	173.2	41.7	0	0	0	0	112.9
167	D	58.9	Low	65.3	Low	79 Å²	79	46.9 Å²	46.9	42%	0.422	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	0.5	-173.3	-45.5	14.6	0	0	0	112.1	K136 S165 K169	K136-D167 WeakPolarHBondContact CE-OD2 3.45Å; K136-D167 IonicContact NZ-OD2 2.67Å; K136-D167 PolarHBondContact NZ-OD2 2.79Å; S165-D167 PolarHBondContact O-N 2.82Å; S165-D167 PolarHBondContact OG-N 2.62Å; D167-K169 PolarHBondContact O-N 3.27Å
168	G	62.2	Low	63.9	Low	50 Å²	50	50.3 Å²	50.3	52%	0.515	26%	0.26	S	S	.	.	S	Bend	trans	63.4	20.4	-172.3	0	0	0	0	0	114.2	P162 S165	P162-G168 WeakPolarHBondContact CB-O 3.47Å; S165-G168 PolarHBondContact O-N 3.14Å
169	K	65.7	Low	62.5	Low	119 Å²	119	52.2 Å²	52.2	52%	0.517	28%	0.276	S	S	.	.	S	Bend	trans	-117.5	141.3	-179.1	-68.4	-178.3	-179.3	-175.7	0	110.6	K136 S165 D167 L171	K136-K169 HydrophobicContact CD-CD 3.91Å; S165-K169 WeakPolarHBondContact CB-O 3.45Å; S165-K169 PolarHBondContact OG-N 3.1Å; S165-K169 PolarHBondContact OG-O 2.74Å; D167-K169 PolarHBondContact O-N 3.27Å; K169-L171 PolarHBondContact O-N 3.18Å
170	A	71.6	Confident	61	Low	5 Å²	5	53.6 Å²	53.6	4%	0.041	29%	0.29	C	S	.	.			trans	-63.5	137	176.2	0	0	0	0	0	110.9	V137 Y159 E160 P162	V137-A170 HydrophobicContact CG2-CB 4.47Å; V137-A170 PolarHBondContact N-O 3.27Å; V137-A170 WeakPolarHBondContact O-CB 3.4Å; V137-A170 VanDerWaalsContact O-O 3.07Å; Y159-A170 HydrophobicContact CE2-CB 3.73Å; Y159-A170 WeakPolarHBondContact OH-CB 3.09Å; E160-A170 CarbonylContact O-C 3.57Å; E160-A170 WeakPolarHBondContact O-CA 3.08Å; E160-A170 WeakPolarHBondContact O-CB 2.88Å; P162-A170 HydrophobicContact CG-CB 4.05Å
171	L	77.2	Confident	59.8	Low	12 Å²	12	56 Å²	56	6%	0.063	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.6	-175.5	-59	170.6	0	0	0	109.6	L134 R135 K136 Y159 E160 S165 K169	L134-L171 HydrophobicContact CD2-CB 4.15Å; L134-L171 HydrophobicContact CD2-CD1 4.06Å; L134-L171 HydrophobicContact CD2-CD2 3.73Å; L134-L171 HydrophobicContact CD2-CG 4.16Å; R135-L171 CarbonylContact O-C 3.53Å; R135-L171 WeakPolarHBondContact O-CA 3.02Å; K136-L171 HydrophobicContact CG-CD2 3.75Å; Y159-L171 CarbonylContact C-O 3.54Å; Y159-L171 WeakPolarHBondContact CA-O 3.14Å; E160-L171 HydrophobicContact CB-CB 4.16Å; E160-L171 PolarHBondContact N-O 3.29Å; E160-L171 PolarHBondContact O-N 3.25Å; S165-L171 WeakPolarHBondContact OG-CD1 3.43Å; K169-L171 PolarHBondContact O-N 3.18Å
172	C	77	Confident	59.1	Low	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.8	171.9	-179.7	0	0	0	0	107.8	L134 R135 V137 C143 F174	L134-C172 CarbonylContact C-O 3.52Å; L134-C172 WeakPolarHBondContact CA-O 3.42Å; R135-C172 PolarHBondContact N-O 3.14Å; R135-C172 PolarHBondContact O-N 2.72Å; V137-C172 HydrophobicContact CB-CB 4.23Å; V137-C172 HydrophobicContact CG1-CB 3.53Å; V137-C172 HydrophobicContact CG2-CB 3.62Å; C143-C172 WeakPolarHBondContact CA-SG 3.47Å; C143-C172 HydrophobicContact CB-CB 3.55Å; C143-C172 WeakPolarHBondContact CB-SG 3.29Å; C143-C172 VanDerWaalsContact SG-CA 3.6Å; C143-C172 WeakPolarHBondContact SG-CB 3.39Å; C143-C172 CovalentContact SG-SG 2.01Å; C143-C172 PolarHBondContact SG-SG 2.95Å; C172-F174 WeakPolarHBondContact SG-CE1 3.03Å
173	K	74.3	Confident	58.4	Low	38 Å²	38	55.6 Å²	55.6	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.9	172	-65.2	169.4	179.3	174.2	0	108.2	P131 M133 L134 V157 V158 E160	P131-K173 HydrophobicContact CB-CB 3.68Å; P131-K173 HydrophobicContact CB-CD 4.13Å; P131-K173 HydrophobicContact CB-CG 4.24Å; P131-K173 HydrophobicContact CG-CD 4.4Å; M133-K173 CarbonylContact O-C 3.58Å; M133-K173 VanDerWaalsContact O-CA 3.26Å; M133-K173 WeakPolarHBondContact O-CA 3.4Å; L134-K173 HydrophobicContact CB-CG 4.48Å; L134-K173 HydrophobicContact CD1-CD 4.17Å; L134-K173 HydrophobicContact CD1-CG 3.82Å; L134-K173 HydrophobicContact CG-CG 3.79Å; V157-K173 WeakPolarHBondContact CA-O 3.5Å; V158-K173 HydrophobicContact CB-CB 4.11Å; V158-K173 PolarHBondContact N-O 2.91Å; V158-K173 PolarHBondContact O-N 3.38Å; E160-K173 VanDerWaalsContact CD-NZ 3.34Å; E160-K173 WeakPolarHBondContact OE1-CE 3.4Å; E160-K173 IonicContact OE1-NZ 2.68Å; E160-K173 PolarHBondContact OE1-NZ 3.2Å; E160-K173 WeakPolarHBondContact OE2-CE 3.11Å; E160-K173 IonicContact OE2-NZ 3.32Å; E160-K173 PolarHBondContact OE2-NZ 3.1Å
174	F	67.6	Low	57.6	Low	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.4	172.8	-54.3	-46.5	0	0	0	109.2	P131 Y132 M133 R135 C143 M146 C147 L151 V157 C172	P131-F174 CarbonylContact C-O 3.52Å; P131-F174 VanDerWaalsContact CA-O 3.22Å; P131-F174 WeakPolarHBondContact CA-O 3.31Å; Y132-F174 HydrophobicContact CD1-CB 4.41Å; Y132-F174 WeakPolarHBondContact CD1-O 3.13Å; Y132-F174 HydrophobicContact CD2-CB 4.41Å; Y132-F174 VanDerWaalsContact CE1-C 3.41Å; Y132-F174 HydrophobicContact CE1-CB 3.81Å; Y132-F174 WeakPolarHBondContact CE1-O 3.33Å; Y132-F174 HydrophobicContact CE2-CB 3.79Å; Y132-F174 VanDerWaalsContact CZ-CB 3.47Å; Y132-F174 PolarHBondContact N-O 2.75Å; M133-F174 HydrophobicContact CB-CB 4.48Å; M133-F174 HydrophobicContact CB-CD2 3.77Å; M133-F174 HydrophobicContact CG-CD2 3.95Å; M133-F174 HydrophobicContact CG-CE2 4.23Å; M133-F174 PolarHBondContact O-N 2.81Å; M133-F174 HydrophobicContact SD-CD2 3.85Å; M133-F174 HydrophobicContact SD-CE2 3.87Å; R135-F174 HydrophobicContact CG-CE2 4.07Å; R135-F174 HydrophobicContact CG-CZ 4.4Å; C143-F174 WeakPolarHBondContact O-CE1 3.32Å; M146-F174 HydrophobicContact CB-CE1 4.06Å; M146-F174 HydrophobicContact CB-CZ 3.6Å; M146-F174 HydrophobicContact CE-CZ 4.3Å; C147-F174 HydrophobicContact CB-CD1 3.69Å; C147-F174 HydrophobicContact CB-CE1 3.69Å; L151-F174 HydrophobicContact CD1-CB 4.41Å; L151-F174 HydrophobicContact CD1-CD2 3.79Å; L151-F174 HydrophobicContact CD1-CE2 4.45Å; L151-F174 HydrophobicContact CD1-CG 4.2Å; V157-F174 HydrophobicContact CG1-CD1 3.95Å; V157-F174 HydrophobicContact CG1-CE1 4.48Å; C172-F174 WeakPolarHBondContact SG-CE1 3.03Å
175	A	59.7	Low	57.3	Low	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.1	-174.4	0	0	0	0	0	110.8	I129 S156	I129-A175 HydrophobicContact CG2-CB 3.2Å; S156-A175 PolarHBondContact O-N 3.01Å; S156-A175 VanDerWaalsContact O-O 3.12Å; S156-A175 VanDerWaalsContact OG-C 3.27Å; S156-A175 VanDerWaalsContact OG-CB 3.23Å; S156-A175 WeakPolarHBondContact OG-CB 3.24Å; S156-A175 PolarHBondContact OG-O 2.85Å
176	Y	51.8	Low	57.1	Low	73 Å²	73	48.5 Å²	48.5	29%	0.286	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.9	173.3	-102.8	-77.5	0	0	0	107.7	Y132 F153	Y132-Y176 AromaticContact CD1-CD2 3.53Å; Y132-Y176 HydrophobicContact CD1-CD2 3.53Å; Y132-Y176 HydrophobicContact CD1-CE2 4.33Å; Y132-Y176 HydrophobicContact CD1-CG 4.34Å; Y132-Y176 AromaticContact CE1-CD2 3.19Å; Y132-Y176 HydrophobicContact CE1-CD2 3.19Å; Y132-Y176 AromaticContact CE1-CE2 3.77Å; Y132-Y176 HydrophobicContact CE1-CE2 3.77Å; Y132-Y176 AromaticContact CE1-CG 3.96Å; Y132-Y176 HydrophobicContact CE1-CG 3.96Å; Y132-Y176 HydrophobicContact CE2-CD2 4.33Å; Y132-Y176 HydrophobicContact CE2-CE2 4.2Å; Y132-Y176 HydrophobicContact CG-CD2 4.21Å; Y132-Y176 AromaticContact CZ-CD2 3.63Å; Y132-Y176 AromaticContact CZ-CE2 3.68Å; F153-Y176 HydrophobicContact CB-CE1 4.12Å
177	W	50.2	Low	56.6	Low	17 Å²	17	50.2 Å²	50.2	6%	0.064	28%	0.278	C	S	.	.			trans	-131.6	145.6	165.7	-135.5	24.4	0	0	0	108.7	M125 E128 I129 A179 N181 Y203	M125-W177 HydrophobicContact CB-CH2 4.33Å; M125-W177 HydrophobicContact SD-CH2 3.75Å; M125-W177 HydrophobicContact SD-CZ3 4.49Å; E128-W177 HydrophobicContact CB-CZ2 4.12Å; E128-W177 WeakPolarHBondContact OE2-CZ2 3.5Å; I129-W177 HydrophobicContact CG1-CD2 4.35Å; I129-W177 HydrophobicContact CG1-CZ2 4.29Å; W177-A179 PolarHBondContact O-N 2.75Å; W177-N181 HydrophobicContact CD2-CB 3.57Å; W177-N181 HydrophobicContact CE3-CB 3.71Å; W177-N181 HydrophobicContact CG-CB 4.15Å; W177-N181 HydrophobicContact CH2-CB 4.2Å; W177-N181 HydrophobicContact CZ2-CB 4.03Å; W177-N181 HydrophobicContact CZ3-CB 4.04Å; W177-N181 PolarHBondContact NE1-ND2 3.1Å; W177-Y203 HydrophobicContact CE3-CE1 4.03Å; W177-Y203 AromaticContact CE3-CZ 3.88Å; W177-Y203 HydrophobicContact CH2-CE1 4.29Å; W177-Y203 AromaticContact CZ3-CE1 3.66Å; W177-Y203 HydrophobicContact CZ3-CE1 3.66Å; W177-Y203 WeakPolarHBondContact CZ3-OH 3.41Å
178	Q	44.5	Very low	55.9	Low	72 Å²	72	56.8 Å²	56.8	34%	0.336	30%	0.297	S	S	.	.			trans	-61.6	132.5	172	-69.3	-175.2	-29	0	0	107.9	S180 N181 Y338	Q178-S180 VanDerWaalsContact CB-OG 3.3Å; Q178-S180 WeakPolarHBondContact CB-OG 3.32Å; Q178-S180 PolarHBondContact O-N 3.22Å; Q178-N181 PolarHBondContact O-N 2.79Å; Q178-Y338 VanDerWaalsContact CG-OH 3.27Å; Q178-Y338 WeakPolarHBondContact CG-OH 3.16Å
179	A	46.4	Very low	55.1	Low	45 Å²	45	57.4 Å²	57.4	37%	0.372	29%	0.288	S	S	.	.	H	α-helix	trans	-48.6	-34.1	179	0	0	0	0	0	112	Y155 W177 N181 C182 T183	Y155-A179 HydrophobicContact CD1-CB 4.39Å; Y155-A179 HydrophobicContact CD2-CB 4.46Å; Y155-A179 HydrophobicContact CG-CB 4.37Å; W177-A179 PolarHBondContact O-N 2.75Å; A179-N181 VanDerWaalsContact C-N 3.35Å; A179-N181 PolarHBondContact O-N 3.41Å; A179-C182 WeakPolarHBondContact O-CB 3.43Å; A179-C182 PolarHBondContact O-N 3.31Å; A179-C182 VanDerWaalsContact O-N 3.14Å; A179-T183 PolarHBondContact O-N 2.69Å; A179-T183 PolarHBondContact O-OG1 2.8Å
180	S	43.5	Very low	53.6	Low	58 Å²	58	57.8 Å²	57.8	41%	0.406	30%	0.302	S	S	.	.	H	α-helix	trans	-55.1	-37.6	175.3	52.4	0	0	0	0	115	Q178 T183 A184	Q178-S180 VanDerWaalsContact CB-OG 3.3Å; Q178-S180 WeakPolarHBondContact CB-OG 3.32Å; Q178-S180 PolarHBondContact O-N 3.22Å; S180-T183 WeakPolarHBondContact CA-OG1 3.47Å; S180-T183 PolarHBondContact O-OG1 2.85Å; S180-A184 WeakPolarHBondContact O-CB 3.22Å; S180-A184 PolarHBondContact O-N 2.81Å
181	N	49.9	Very low	52.2	Low	56 Å²	56	61 Å²	61	30%	0.299	34%	0.336	S	S	.	.	H	α-helix	trans	-75	-31.3	178.8	-78.1	-6	0	0	0	112	W177 Q178 A179	W177-N181 HydrophobicContact CD2-CB 3.57Å; W177-N181 HydrophobicContact CE3-CB 3.71Å; W177-N181 HydrophobicContact CG-CB 4.15Å; W177-N181 HydrophobicContact CH2-CB 4.2Å; W177-N181 HydrophobicContact CZ2-CB 4.03Å; W177-N181 HydrophobicContact CZ3-CB 4.04Å; W177-N181 PolarHBondContact NE1-ND2 3.1Å; Q178-N181 PolarHBondContact O-N 2.79Å; A179-N181 VanDerWaalsContact C-N 3.35Å; A179-N181 PolarHBondContact O-N 3.41Å
182	C	53.7	Low	50.6	Low	4 Å²	4	64 Å²	64	3%	0.027	35%	0.351	C	S	.	.	H	α-helix	trans	-67.8	-49.3	170.4	-80	0	0	0	0	110.5	A179 L186 C205	A179-C182 WeakPolarHBondContact O-CB 3.43Å; A179-C182 PolarHBondContact O-N 3.31Å; A179-C182 VanDerWaalsContact O-N 3.14Å; C182-L186 VanDerWaalsContact O-CB 3.25Å; C182-L186 WeakPolarHBondContact O-CB 3.02Å; C182-L186 WeakPolarHBondContact O-CD1 3.37Å; C182-L186 WeakPolarHBondContact O-CG 3.39Å; C182-L186 PolarHBondContact O-N 2.88Å; C182-C205 WeakPolarHBondContact CA-SG 3.36Å; C182-C205 HydrophobicContact CB-CB 3.58Å; C182-C205 WeakPolarHBondContact CB-SG 3.27Å; C182-C205 WeakPolarHBondContact SG-CB 3.37Å; C182-C205 CovalentContact SG-SG 2.03Å; C182-C205 PolarHBondContact SG-SG 3.29Å
183	T	49	Very low	49.1	Very low	80 Å²	80	67 Å²	67	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-49.5	-179.3	23.6	0	0	0	0	113.2	A179 S180 K185 L186 E187	A179-T183 PolarHBondContact O-N 2.69Å; A179-T183 PolarHBondContact O-OG1 2.8Å; S180-T183 WeakPolarHBondContact CA-OG1 3.47Å; S180-T183 PolarHBondContact O-OG1 2.85Å; T183-K185 VanDerWaalsContact C-N 3.32Å; T183-K185 PolarHBondContact O-N 3.16Å; T183-L186 PolarHBondContact O-N 3.3Å; T183-E187 PolarHBondContact O-N 2.78Å
184	A	45.3	Very low	47.7	Very low	62 Å²	62	68.7 Å²	68.7	51%	0.512	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-29	-173	0	0	0	0	0	114.1	S180	S180-A184 WeakPolarHBondContact O-CB 3.22Å; S180-A184 PolarHBondContact O-N 2.81Å
185	K	49.4	Very low	46.7	Very low	79 Å²	79	70.7 Å²	70.7	34%	0.343	42%	0.416	S	S	.	.	H	α-helix	trans	-92.3	-16	178.8	-68.9	-171.4	179.2	175.6	0	113	M125 E128 T183	M125-K185 HydrophobicContact CE-CB 4.31Å; M125-K185 HydrophobicContact CE-CD 3.74Å; M125-K185 HydrophobicContact SD-CD 3.45Å; M125-K185 WeakPolarHBondContact SD-CD 3.38Å; E128-K185 IonicContact OE1-NZ 2.72Å; E128-K185 IonicContact OE2-NZ 2.7Å; E128-K185 PolarHBondContact OE2-NZ 3.48Å; T183-K185 VanDerWaalsContact C-N 3.32Å; T183-K185 PolarHBondContact O-N 3.16Å
186	L	47.1	Very low	46.4	Very low	30 Å²	30	76.5 Å²	76.5	16%	0.157	45%	0.447	C	S	.	.	H	α-helix	trans	-80.1	-28.6	177.4	-80.9	170.7	0	0	0	114.1	T119 C182 T183 R188 I189 C205 Y207	T119-L186 HydrophobicContact CG2-CD2 3.25Å; C182-L186 VanDerWaalsContact O-CB 3.25Å; C182-L186 WeakPolarHBondContact O-CB 3.02Å; C182-L186 WeakPolarHBondContact O-CD1 3.37Å; C182-L186 WeakPolarHBondContact O-CG 3.39Å; C182-L186 PolarHBondContact O-N 2.88Å; T183-L186 PolarHBondContact O-N 3.3Å; L186-R188 PolarHBondContact O-N 3.37Å; L186-I189 PolarHBondContact O-N 2.72Å; L186-I189 VanDerWaalsContact O-N 3.14Å; L186-C205 HydrophobicContact CD1-CB 3.83Å; L186-Y207 HydrophobicContact CD1-CD1 3.7Å; L186-Y207 HydrophobicContact CD1-CE1 3.76Å
187	E	44.1	Very low	46.1	Very low	175 Å²	175	79.4 Å²	79.4	82%	0.818	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-17.8	173.8	-72.2	-177	166.6	0	0	113.3	T183	T183-E187 PolarHBondContact O-N 2.78Å
188	R	44.2	Very low	46.1	Very low	218 Å²	218	82.1 Å²	82.1	82%	0.823	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.2	-178	-68.1	-170.2	178.2	-175.1	-0.2	115.6	L186	L186-R188 PolarHBondContact O-N 3.37Å
189	I	44.1	Very low	46.6	Very low	62 Å²	62	82.5 Å²	82.5	32%	0.318	51%	0.511	S	S	.	.			trans	-122.5	95.1	-174.4	-48.2	180	0	0	0	110	L186 G191 I192	L186-I189 PolarHBondContact O-N 2.72Å; L186-I189 VanDerWaalsContact O-N 3.14Å; I189-G191 PolarHBondContact O-N 2.77Å; I189-I192 HydrophobicContact CG2-CD1 3.41Å; I189-I192 VanDerWaalsContact CG2-CD1 3.41Å; I189-I192 HydrophobicContact CG2-CG1 3.99Å
190	P	35.3	Very low	47.2	Very low	127 Å²	127	82.7 Å²	82.7	83%	0.825	51%	0.507	S	S	*	.			trans	-75	121.6	177	-1.6	17.6	0	0	0	110.1
191	G	41.9	Very low	48.1	Very low	73 Å²	73	83.4 Å²	83.4	75%	0.753	50%	0.501	S	S	*	.			trans	83.9	84.9	163.8	0	0	0	0	0	115	I189	I189-G191 PolarHBondContact O-N 2.77Å
192	I	44.5	Very low	48.8	Very low	75 Å²	75	80.9 Å²	80.9	39%	0.385	49%	0.488	S	S	.	.			trans	-140.7	104	167.8	-58.8	-174.4	0	0	0	110.6	T119 P120 I189	T119-I192 HydrophobicContact CG2-CB 4.27Å; P120-I192 HydrophobicContact CB-CG2 4.32Å; P120-I192 HydrophobicContact CG-CG2 3.8Å; I189-I192 HydrophobicContact CG2-CD1 3.41Å; I189-I192 VanDerWaalsContact CG2-CD1 3.41Å; I189-I192 HydrophobicContact CG2-CG1 3.99Å
193	G	45.2	Very low	49.4	Very low	62 Å²	62	80.7 Å²	80.7	64%	0.639	49%	0.486	S	S	*	.			trans	-78.1	178	149.8	0	0	0	0	0	110.9
194	A	44.4	Very low	50.4	Low	74 Å²	74	76.9 Å²	76.9	61%	0.612	46%	0.463	S	S	*	.	S	Bend	trans	-11	139.7	-176.7	0	0	0	0	0	118.8	L196	A194-L196 PolarHBondContact O-N 3.24Å
195	P	46.7	Very low	51.4	Low	42 Å²	42	74 Å²	74	27%	0.273	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-50.3	137	-177.4	21.5	-33	0	0	0	112.3	P120 L140 M199 A202	P120-P195 HydrophobicContact CG-CB 4.47Å; L140-P195 HydrophobicContact CD2-CG 4.25Å; P195-M199 HydrophobicContact CB-CB 4.39Å; P195-M199 HydrophobicContact CB-SD 4.22Å; P195-A202 HydrophobicContact CB-CB 4.04Å; P195-A202 HydrophobicContact CG-CB 4.25Å
196	L	52.2	Low	52.2	Low	123 Å²	123	70.6 Å²	70.6	64%	0.644	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-51.5	138.9	-177.8	-77.4	159.9	0	0	0	111	A194 G198 M199	A194-L196 PolarHBondContact O-N 3.24Å; L196-G198 PolarHBondContact O-N 2.88Å; L196-M199 HydrophobicContact CB-CE 4.06Å; L196-M199 HydrophobicContact CB-CG 4.29Å; L196-M199 HydrophobicContact CD1-CE 3.97Å; L196-M199 HydrophobicContact CG-CE 4.38Å; L196-M199 WeakPolarHBondContact O-CB 3.19Å; L196-M199 PolarHBondContact O-N 3.38Å
197	P	47.4	Very low	52.7	Low	133 Å²	133	72.2 Å²	72.2	86%	0.864	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	125.5	179.1	20.7	-29.5	0	0	0	110.3
198	G	48.9	Very low	53.2	Low	75 Å²	75	66 Å²	66	77%	0.773	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.3	-11.1	-175.5	0	0	0	0	0	115.1	L196 T200	L196-G198 PolarHBondContact O-N 2.88Å; G198-T200 PolarHBondContact O-N 3.4Å
199	M	54.4	Low	53.7	Low	80 Å²	80	58 Å²	58	39%	0.394	38%	0.38	S	S	.	.			trans	-64.9	122.3	172.5	-76.8	-156	-170.6	0	0	111.3	P195 L196	P195-M199 HydrophobicContact CB-CB 4.39Å; P195-M199 HydrophobicContact CB-SD 4.22Å; L196-M199 HydrophobicContact CB-CE 4.06Å; L196-M199 HydrophobicContact CB-CG 4.29Å; L196-M199 HydrophobicContact CD1-CE 3.97Å; L196-M199 HydrophobicContact CG-CE 4.38Å; L196-M199 WeakPolarHBondContact O-CB 3.19Å; L196-M199 PolarHBondContact O-N 3.38Å
200	T	60.8	Low	53.6	Low	49 Å²	49	59.1 Å²	59.1	30%	0.301	39%	0.386	S	S	.	.	S	Bend	trans	-87.5	-23.2	179.2	55.6	0	0	0	0	113.2	T161 G198	T161-T200 PolarHBondContact N-O 2.77Å; T161-T200 VanDerWaalsContact OG1-CA 3.25Å; T161-T200 WeakPolarHBondContact OG1-CA 2.98Å; T161-T200 PolarHBondContact OG1-O 2.77Å; G198-T200 PolarHBondContact O-N 3.4Å
201	R	60.6	Low	53.9	Low	73 Å²	73	60.2 Å²	60.2	28%	0.275	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144	171.6	-88.8	178.4	-179.9	160.2	2	108.8	Y159 E160	Y159-R201 CarbonylContact O-C 3.49Å; Y159-R201 VanDerWaalsContact O-CA 3.3Å; Y159-R201 WeakPolarHBondContact O-CA 3.09Å; E160-R201 HydrophobicContact CG-CG 3.49Å; E160-R201 VanDerWaalsContact CG-CG 3.49Å; E160-R201 IonicContact OE1-CZ 3.01Å; E160-R201 IonicContact OE1-NE 2.71Å; E160-R201 PolarHBondContact OE1-NE 3.42Å; E160-R201 IonicContact OE1-NH2 2.65Å; E160-R201 PolarHBondContact OE1-NH2 3.18Å
202	A	64.6	Low	53.6	Low	2 Å²	2	62.8 Å²	62.8	2%	0.017	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	110.1	170	0	0	0	0	0	107.6	Y159 P195	Y159-A202 PolarHBondContact N-O 3.08Å; Y159-A202 PolarHBondContact O-N 2.88Å; P195-A202 HydrophobicContact CB-CB 4.04Å; P195-A202 HydrophobicContact CG-CB 4.25Å
203	Y	68.2	Low	53.1	Low	0 Å²	0	65.3 Å²	65.3	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	134.7	161.5	178	-132.2	0	0	0	107.8	P120 V121 L126 I129 S156 V157 V158 W177	P120-Y203 CarbonylContact C-O 3.55Å; P120-Y203 WeakPolarHBondContact CA-O 3.33Å; V121-Y203 HydrophobicContact CB-CD1 3.36Å; V121-Y203 HydrophobicContact CB-CE1 3.89Å; V121-Y203 HydrophobicContact CB-CG 4.19Å; V121-Y203 HydrophobicContact CG1-CD1 3.68Å; V121-Y203 HydrophobicContact CG1-CE1 3.97Å; V121-Y203 HydrophobicContact CG2-CD1 3.74Å; V121-Y203 HydrophobicContact CG2-CE1 3.84Å; V121-Y203 PolarHBondContact N-O 3.41Å; L126-Y203 HydrophobicContact CD2-CG 4.41Å; I129-Y203 HydrophobicContact CD1-CD1 3.4Å; I129-Y203 VanDerWaalsContact CD1-CD1 3.4Å; I129-Y203 HydrophobicContact CD1-CD2 3.77Å; I129-Y203 HydrophobicContact CD1-CE1 3.17Å; I129-Y203 HydrophobicContact CD1-CE2 3.45Å; I129-Y203 VanDerWaalsContact CD1-CE2 3.45Å; I129-Y203 HydrophobicContact CD1-CG 3.77Å; I129-Y203 HydrophobicContact CG1-CE1 4.34Å; I129-Y203 HydrophobicContact CG1-CE2 4.38Å; I129-Y203 HydrophobicContact CG2-CE2 4.26Å; S156-Y203 WeakPolarHBondContact CB-OH 3.34Å; S156-Y203 PolarHBondContact OG-OH 3.5Å; V157-Y203 CarbonylContact O-C 3.6Å; V157-Y203 WeakPolarHBondContact O-CA 3.25Å; V157-Y203 WeakPolarHBondContact O-CD2 3.32Å; V158-Y203 HydrophobicContact CG2-CD2 3.69Å; V158-Y203 HydrophobicContact CG2-CE2 4.4Å; V158-Y203 HydrophobicContact CG2-CG 4.47Å; W177-Y203 HydrophobicContact CE3-CE1 4.03Å; W177-Y203 AromaticContact CE3-CZ 3.88Å; W177-Y203 HydrophobicContact CH2-CE1 4.29Å; W177-Y203 AromaticContact CZ3-CE1 3.66Å; W177-Y203 HydrophobicContact CZ3-CE1 3.66Å; W177-Y203 WeakPolarHBondContact CZ3-OH 3.41Å
204	S	68.7	Low	52.6	Low	0 Å²	0	64.3 Å²	64.3	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.1	-180	-63.2	0	0	0	0	110.7	T119 S156 V157	T119-S204 WeakPolarHBondContact O-CA 3Å; S156-S204 VanDerWaalsContact CA-O 3.31Å; S156-S204 WeakPolarHBondContact CA-O 3.38Å; V157-S204 PolarHBondContact N-O 2.83Å; V157-S204 PolarHBondContact O-N 3.31Å
205	C	66	Low	52.4	Low	1 Å²	1	65.8 Å²	65.8	1%	0.007	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.6	168.5	-88.1	0	0	0	0	109.1	Y118 T119 V121 C182 L186	Y118-C205 CarbonylContact C-O 3.53Å; Y118-C205 WeakPolarHBondContact CA-O 3.43Å; T119-C205 PolarHBondContact N-O 3.47Å; T119-C205 PolarHBondContact O-N 2.99Å; T119-C205 VanDerWaalsContact O-N 3.09Å; V121-C205 HydrophobicContact CG2-CB 4.13Å; C182-C205 WeakPolarHBondContact CA-SG 3.36Å; C182-C205 HydrophobicContact CB-CB 3.58Å; C182-C205 WeakPolarHBondContact CB-SG 3.27Å; C182-C205 WeakPolarHBondContact SG-CB 3.37Å; C182-C205 CovalentContact SG-SG 2.03Å; C182-C205 PolarHBondContact SG-SG 3.29Å; L186-C205 HydrophobicContact CD1-CB 3.83Å
206	I	66.4	Low	51.8	Low	8 Å²	8	64.9 Å²	64.9	4%	0.041	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.8	-179.6	-57.1	164.5	0	0	0	107.5	I116 I144 C147 L148 Y155 V157	I116-I206 HydrophobicContact CG2-CG2 3.45Å; I116-I206 VanDerWaalsContact CG2-CG2 3.45Å; I144-I206 HydrophobicContact CB-CD1 4.49Å; I144-I206 HydrophobicContact CG1-CD1 4.32Å; I144-I206 HydrophobicContact CG2-CD1 3.94Å; I144-I206 HydrophobicContact CG2-CG1 4.23Å; C147-I206 HydrophobicContact CB-CD1 4.24Å; C147-I206 WeakPolarHBondContact SG-CD1 3.35Å; L148-I206 HydrophobicContact CD2-CG2 4.28Å; Y155-I206 PolarHBondContact O-N 3.41Å; V157-I206 HydrophobicContact CG1-CD1 4.06Å
207	Y	58.2	Low	50.9	Low	65 Å²	65	64.7 Å²	64.7	26%	0.255	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.8	-179.7	57.5	-79.1	0	0	0	110.8	I117 T119 L186 V209	I117-Y207 HydrophobicContact CB-CD2 4.37Å; I117-Y207 HydrophobicContact CB-CE1 4.08Å; I117-Y207 HydrophobicContact CB-CE2 3.77Å; I117-Y207 HydrophobicContact CD1-CE2 3.96Å; I117-Y207 HydrophobicContact CG1-CE2 4.04Å; I117-Y207 PolarHBondContact N-O 3.37Å; I117-Y207 WeakPolarHBondContact O-CD1 2.87Å; I117-Y207 PolarHBondContact O-N 3.06Å; T119-Y207 WeakPolarHBondContact OG1-CE1 3.34Å; T119-Y207 PolarHBondContact OG1-OH 3Å; L186-Y207 HydrophobicContact CD1-CD1 3.7Å; L186-Y207 HydrophobicContact CD1-CE1 3.76Å; Y207-V209 HydrophobicContact CD2-CG2 3.62Å; Y207-V209 HydrophobicContact CE2-CG2 3.45Å; Y207-V209 VanDerWaalsContact CE2-CG2 3.45Å
208	C	55.1	Low	50.4	Low	45 Å²	45	65.4 Å²	65.4	30%	0.304	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135.1	170.4	-167.3	0	0	0	0	110.3	C112	C112-C208 VanDerWaalsContact C-SG 3.56Å; C112-C208 WeakPolarHBondContact CA-SG 3.48Å; C112-C208 HydrophobicContact CB-CB 3.47Å; C112-C208 VanDerWaalsContact CB-CB 3.47Å; C112-C208 WeakPolarHBondContact CB-SG 3.44Å; C112-C208 WeakPolarHBondContact SG-CB 3.11Å; C112-C208 CovalentContact SG-SG 1.99Å; C112-C208 PolarHBondContact SG-SG 3.09Å
209	V	54.3	Low	50	Low	49 Å²	49	64.9 Å²	64.9	30%	0.297	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.9	164.6	179.3	0	0	0	0	107.9	G114 R115 I117 Y207 D211	G114-V209 CarbonylContact C-O 3.47Å; G114-V209 WeakPolarHBondContact CA-O 3.34Å; R115-V209 PolarHBondContact N-O 3.17Å; R115-V209 VanDerWaalsContact N-O 3.08Å; R115-V209 PolarHBondContact O-N 3.27Å; R115-V209 VanDerWaalsContact O-N 3.13Å; I117-V209 HydrophobicContact CD1-CB 3.74Å; I117-V209 HydrophobicContact CD1-CG2 3.2Å; I117-V209 HydrophobicContact CG1-CB 4.25Å; I117-V209 HydrophobicContact CG1-CG2 3.78Å; Y207-V209 HydrophobicContact CD2-CG2 3.62Å; Y207-V209 HydrophobicContact CE2-CG2 3.45Å; Y207-V209 VanDerWaalsContact CE2-CG2 3.45Å; V209-D211 VanDerWaalsContact C-N 3.34Å
210	D	42.4	Very low	49.1	Very low	85 Å²	85	61.8 Å²	61.8	46%	0.455	35%	0.346	S	S	.	.	S	Bend	trans	-73.2	-22.7	-174.2	-75.2	-43	0	0	0	113.8	R113 Y212	R113-D210 PolarHBondContact N-OD1 3.48Å; D210-Y212 PolarHBondContact O-N 2.89Å
211	D	42	Very low	48.2	Very low	150 Å²	150	63 Å²	63	80%	0.802	35%	0.353	S	S	*	.			trans	-101.8	50.8	-174.6	-71.5	-32.5	0	0	0	113.7	V209 P213	V209-D211 VanDerWaalsContact C-N 3.34Å; D211-P213 WeakPolarHBondContact O-CD 3.44Å
212	Y	35.6	Very low	47.4	Very low	127 Å²	127	66 Å²	66	50%	0.498	37%	0.37	S	S	.	.			trans	-89.6	109.7	168.6	-147.4	-96.8	0	0	0	110.2	R115 D210 G214	R115-Y212 HydrophobicContact CB-CG 4.43Å; D210-Y212 PolarHBondContact O-N 2.89Å; Y212-G214 VanDerWaalsContact C-N 3.35Å; Y212-G214 PolarHBondContact O-N 2.97Å
213	P	33.3	Very low	46.4	Very low	128 Å²	128	70.4 Å²	70.4	83%	0.831	39%	0.391	S	S	*	.			trans	-74.4	89	177.6	29.9	-32.4	0	0	0	109.4	D211	D211-P213 WeakPolarHBondContact O-CD 3.44Å
214	G	35.5	Very low	45.1	Very low	42 Å²	42	70.8 Å²	70.8	43%	0.433	39%	0.394	S	S	.	.	S	Bend	trans	148.7	122.5	170.5	0	0	0	0	0	113	Y212 G216	Y212-G214 VanDerWaalsContact C-N 3.35Å; Y212-G214 PolarHBondContact O-N 2.97Å; G214-G216 PolarHBondContact O-N 3.36Å
215	S	38.2	Very low	44	Very low	105 Å²	105	77 Å²	77	73%	0.734	42%	0.421	S	S	*	.	S	Bend	trans	33.5	-0.5	159	60.2	0	0	0	0	122.6	Q217 Q218	S215-Q217 PolarHBondContact O-N 3.44Å; S215-Q217 VanDerWaalsContact O-N 3.14Å; S215-Q218 PolarHBondContact O-N 2.75Å; S215-Q218 VanDerWaalsContact O-N 3.13Å
216	G	34.7	Very low	43.1	Very low	23 Å²	23	79.4 Å²	79.4	24%	0.237	44%	0.441	C	S	.	.	H	α-helix	trans	-64.1	-24.2	-174.1	0	0	0	0	0	114.1	G214 Q218 S219	G214-G216 PolarHBondContact O-N 3.36Å; G216-Q218 PolarHBondContact O-N 2.88Å; G216-S219 PolarHBondContact O-N 3.11Å; G216-S219 PolarHBondContact O-OG 3.04Å; G216-S219 VanDerWaalsContact O-OG 3.11Å
217	Q	34.5	Very low	41.9	Very low	119 Å²	119	80.1 Å²	80.1	56%	0.556	45%	0.445	S	S	*	.	H	α-helix	trans	-59.2	-31.3	175	-121.1	171.6	7.2	0	0	113.1	S215 V221	S215-Q217 PolarHBondContact O-N 3.44Å; S215-Q217 VanDerWaalsContact O-N 3.14Å; Q217-V221 WeakPolarHBondContact O-CG2 3.28Å; Q217-V221 PolarHBondContact O-N 2.81Å
218	Q	35.5	Very low	41.2	Very low	147 Å²	147	79.9 Å²	79.9	69%	0.687	45%	0.448	S	S	*	.	H	α-helix	trans	-68.6	-41.6	178.6	-89.9	178.8	-19.6	0	0	112.2	S215 G216 L220 V221 E222	S215-Q218 PolarHBondContact O-N 2.75Å; S215-Q218 VanDerWaalsContact O-N 3.13Å; G216-Q218 PolarHBondContact O-N 2.88Å; Q218-L220 VanDerWaalsContact C-N 3.33Å; Q218-L220 PolarHBondContact O-N 2.66Å; Q218-V221 PolarHBondContact O-N 2.98Å; Q218-E222 WeakPolarHBondContact O-CB 2.98Å; Q218-E222 WeakPolarHBondContact O-CG 3.22Å; Q218-E222 PolarHBondContact O-N 3.12Å
219	S	41.2	Very low	40.9	Very low	64 Å²	64	83 Å²	83	45%	0.448	46%	0.462	S	S	.	.	H	α-helix	trans	-66	-35.4	-176.3	78.1	0	0	0	0	112.8	G216 E222 M223	G216-S219 PolarHBondContact O-N 3.11Å; G216-S219 PolarHBondContact O-OG 3.04Å; G216-S219 VanDerWaalsContact O-OG 3.11Å; S219-E222 PolarHBondContact O-N 3.01Å; S219-M223 WeakPolarHBondContact O-CB 3.34Å; S219-M223 PolarHBondContact O-N 2.86Å
220	L	36.1	Very low	40.4	Very low	16 Å²	16	87.3 Å²	87.3	8%	0.084	48%	0.476	C	S	.	.	H	α-helix	trans	-74.4	-39.9	-179.6	-82.7	162.9	0	0	0	112.1	L109 G114 I116 Q218 E222 M223 A224	L109-L220 HydrophobicContact CD2-CB 3.98Å; L109-L220 HydrophobicContact CD2-CD2 3.32Å; L109-L220 HydrophobicContact CD2-CG 4.12Å; G114-L220 WeakPolarHBondContact O-CD1 3.26Å; I116-L220 HydrophobicContact CD1-CD2 3.9Å; I116-L220 HydrophobicContact CG1-CD2 4.32Å; Q218-L220 VanDerWaalsContact C-N 3.33Å; Q218-L220 PolarHBondContact O-N 2.66Å; L220-E222 VanDerWaalsContact C-N 3.34Å; L220-M223 PolarHBondContact O-N 2.75Å; L220-A224 PolarHBondContact O-N 2.92Å
221	V	40.6	Very low	40.1	Very low	73 Å²	73	86.3 Å²	86.3	44%	0.442	47%	0.471	S	S	.	.	H	α-helix	trans	-65.7	-38.5	172.4	174.2	0	0	0	0	110.8	Q217 Q218 K225	Q217-V221 WeakPolarHBondContact O-CG2 3.28Å; Q217-V221 PolarHBondContact O-N 2.81Å; Q218-V221 PolarHBondContact O-N 2.98Å; V221-K225 HydrophobicContact CG1-CD 4.36Å; V221-K225 WeakPolarHBondContact O-CB 3.03Å; V221-K225 WeakPolarHBondContact O-CG 3.45Å; V221-K225 PolarHBondContact O-N 2.87Å
222	E	45.5	Very low	39.8	Very low	137 Å²	137	81.6 Å²	81.6	64%	0.64	45%	0.452	S	S	*	.	H	α-helix	trans	-64.8	-40.2	172.3	-78	-167.7	162	0	0	112.4	Q218 S219 L220 K225 A226	Q218-E222 WeakPolarHBondContact O-CB 2.98Å; Q218-E222 WeakPolarHBondContact O-CG 3.22Å; Q218-E222 PolarHBondContact O-N 3.12Å; S219-E222 PolarHBondContact O-N 3.01Å; L220-E222 VanDerWaalsContact C-N 3.34Å; E222-K225 PolarHBondContact O-N 2.96Å; E222-A226 VanDerWaalsContact O-CB 3.26Å; E222-A226 WeakPolarHBondContact O-CB 3.49Å; E222-A226 PolarHBondContact O-N 2.9Å
223	M	43	Very low	40	Very low	94 Å²	94	78.5 Å²	78.5	46%	0.463	45%	0.453	S	S	.	.	H	α-helix	trans	-64.4	-43.7	177.3	-144.8	-179.2	-59.8	0	0	111.3	S219 L220 A226 L227	S219-M223 WeakPolarHBondContact O-CB 3.34Å; S219-M223 PolarHBondContact O-N 2.86Å; L220-M223 PolarHBondContact O-N 2.75Å; M223-A226 PolarHBondContact O-N 3.35Å; M223-L227 WeakPolarHBondContact O-CB 3.28Å; M223-L227 PolarHBondContact O-N 2.84Å
224	A	40.9	Very low	40	Very low	8 Å²	8	81.7 Å²	81.7	7%	0.066	45%	0.448	C	S	.	.	H	α-helix	trans	-61.7	-45.8	172.8	0	0	0	0	0	112.1	L109 L220 A226 L227 I228	L109-A224 HydrophobicContact CD1-CB 3.65Å; L220-A224 PolarHBondContact O-N 2.92Å; A224-A226 VanDerWaalsContact C-N 3.34Å; A224-A226 PolarHBondContact O-N 2.99Å; A224-L227 PolarHBondContact O-N 2.7Å; A224-I228 WeakPolarHBondContact O-CB 3.3Å; A224-I228 WeakPolarHBondContact O-CD1 2.89Å; A224-I228 WeakPolarHBondContact O-CG1 3.46Å; A224-I228 PolarHBondContact O-N 3.45Å
225	K	44.4	Very low	39.8	Very low	130 Å²	130	86 Å²	86	57%	0.565	45%	0.451	S	S	*	.	H	α-helix	trans	-60.6	-42.3	175	-80.1	179	177.4	178.9	0	111.8	V221 E222 I228 N229	V221-K225 HydrophobicContact CG1-CD 4.36Å; V221-K225 WeakPolarHBondContact O-CB 3.03Å; V221-K225 WeakPolarHBondContact O-CG 3.45Å; V221-K225 PolarHBondContact O-N 2.87Å; E222-K225 PolarHBondContact O-N 2.96Å; K225-I228 PolarHBondContact O-N 3.16Å; K225-N229 WeakPolarHBondContact O-CB 3.08Å; K225-N229 PolarHBondContact O-N 2.86Å; K225-N229 PolarHBondContact O-ND2 3.39Å
226	A	47.8	Very low	39.4	Very low	52 Å²	52	86 Å²	86	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-65	-39.2	177.7	0	0	0	0	0	112	E222 M223 A224 N229 K230	E222-A226 VanDerWaalsContact O-CB 3.26Å; E222-A226 WeakPolarHBondContact O-CB 3.49Å; E222-A226 PolarHBondContact O-N 2.9Å; M223-A226 PolarHBondContact O-N 3.35Å; A224-A226 VanDerWaalsContact C-N 3.34Å; A224-A226 PolarHBondContact O-N 2.99Å; A226-N229 PolarHBondContact O-N 2.82Å; A226-K230 WeakPolarHBondContact O-CB 3.22Å; A226-K230 PolarHBondContact O-N 2.93Å
227	L	42.2	Very low	39.1	Very low	23 Å²	23	88.6 Å²	88.6	12%	0.12	47%	0.466	C	S	.	.	H	α-helix	trans	-66.9	-45.2	175.8	-147.1	87.9	0	0	0	111.6	L105 E149 M223 A224 N229 K230 L231	L105-L227 HydrophobicContact CD1-CD2 3.8Å; L105-L227 HydrophobicContact CD2-CD2 4.31Å; E149-L227 HydrophobicContact CB-CD1 4.14Å; E149-L227 HydrophobicContact CG-CD1 3.54Å; E149-L227 WeakPolarHBondContact OE1-CD1 3.31Å; M223-L227 WeakPolarHBondContact O-CB 3.28Å; M223-L227 PolarHBondContact O-N 2.84Å; A224-L227 PolarHBondContact O-N 2.7Å; L227-N229 VanDerWaalsContact C-N 3.3Å; L227-N229 PolarHBondContact O-N 2.89Å; L227-K230 PolarHBondContact O-N 2.79Å; L227-L231 HydrophobicContact CD2-CD1 4.4Å; L227-L231 HydrophobicContact CG-CD1 4.49Å; L227-L231 WeakPolarHBondContact O-CB 3.45Å; L227-L231 WeakPolarHBondContact O-CG 3.22Å; L227-L231 PolarHBondContact O-N 3.4Å
228	I	42.7	Very low	38.6	Very low	61 Å²	61	86.3 Å²	86.3	31%	0.313	47%	0.468	S	S	.	.	H	α-helix	trans	-58.5	-44.9	174.5	-69.1	164.1	0	0	0	109.9	A102 A224 K225 L231 A232	A102-I228 HydrophobicContact CB-CD1 3.96Å; A102-I228 HydrophobicContact CB-CG1 3.88Å; A224-I228 WeakPolarHBondContact O-CB 3.3Å; A224-I228 WeakPolarHBondContact O-CD1 2.89Å; A224-I228 WeakPolarHBondContact O-CG1 3.46Å; A224-I228 PolarHBondContact O-N 3.45Å; K225-I228 PolarHBondContact O-N 3.16Å; I228-L231 PolarHBondContact O-N 3.4Å; I228-A232 VanDerWaalsContact O-CB 3.27Å; I228-A232 WeakPolarHBondContact O-CB 3.02Å; I228-A232 PolarHBondContact O-N 3.47Å
229	N	49	Very low	38.2	Very low	111 Å²	111	86.4 Å²	86.4	59%	0.594	47%	0.473	S	S	*	.	H	α-helix	trans	-66.2	-40.6	177.8	-74	-18	0	0	0	112.3	K225 A226 L227 A232 A233	K225-N229 WeakPolarHBondContact O-CB 3.08Å; K225-N229 PolarHBondContact O-N 2.86Å; K225-N229 PolarHBondContact O-ND2 3.39Å; A226-N229 PolarHBondContact O-N 2.82Å; L227-N229 VanDerWaalsContact C-N 3.3Å; L227-N229 PolarHBondContact O-N 2.89Å; N229-A232 PolarHBondContact O-N 3.12Å; N229-A233 VanDerWaalsContact O-CB 3.24Å; N229-A233 WeakPolarHBondContact O-CB 3.35Å; N229-A233 PolarHBondContact O-N 3.14Å
230	K	44.4	Very low	37.4	Very low	139 Å²	139	89.1 Å²	89.1	60%	0.604	49%	0.487	S	S	*	.	H	α-helix	trans	-63	-40.6	173.6	-93.6	-179.2	176.7	172.6	0	112.4	A226 L227 R234	A226-K230 WeakPolarHBondContact O-CB 3.22Å; A226-K230 PolarHBondContact O-N 2.93Å; L227-K230 PolarHBondContact O-N 2.79Å; K230-R234 PolarHBondContact O-N 3.16Å; K230-R234 VanDerWaalsContact O-N 3.08Å
231	L	35.7	Very low	36.7	Very low	64 Å²	64	99.2 Å²	99.2	34%	0.335	52%	0.524	S	S	.	.	H	α-helix	trans	-71	-38.9	177.9	-73.7	166.4	0	0	0	111.6	V98 L227 I228 R234 R235	V98-L231 HydrophobicContact CG1-CB 4.27Å; L227-L231 HydrophobicContact CD2-CD1 4.4Å; L227-L231 HydrophobicContact CG-CD1 4.49Å; L227-L231 WeakPolarHBondContact O-CB 3.45Å; L227-L231 WeakPolarHBondContact O-CG 3.22Å; L227-L231 PolarHBondContact O-N 3.4Å; I228-L231 PolarHBondContact O-N 3.4Å; L231-R234 PolarHBondContact O-N 3.47Å; L231-R235 PolarHBondContact O-N 3.46Å
232	A	35.3	Very low	35.8	Very low	51 Å²	51	101.7 Å²	101.7	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-65.3	-39.8	173.2	0	0	0	0	0	112	I228 N229 R234 R235	I228-A232 VanDerWaalsContact O-CB 3.27Å; I228-A232 WeakPolarHBondContact O-CB 3.02Å; I228-A232 PolarHBondContact O-N 3.47Å; N229-A232 PolarHBondContact O-N 3.12Å; A232-R234 VanDerWaalsContact C-N 3.34Å; A232-R234 PolarHBondContact O-N 3.02Å; A232-R235 WeakPolarHBondContact O-CB 3.45Å; A232-R235 PolarHBondContact O-N 3.41Å; A232-R235 VanDerWaalsContact O-N 3.15Å
233	A	39.2	Very low	34.9	Very low	61 Å²	61	100.8 Å²	100.8	50%	0.504	55%	0.549	S	S	.	.	H	α-helix	trans	-68.2	-28.5	175.7	0	0	0	0	0	113.3	N229 R235 T236	N229-A233 VanDerWaalsContact O-CB 3.24Å; N229-A233 WeakPolarHBondContact O-CB 3.35Å; N229-A233 PolarHBondContact O-N 3.14Å; A233-R235 VanDerWaalsContact C-N 3.27Å; A233-R235 PolarHBondContact O-N 3.22Å; A233-T236 PolarHBondContact O-OG1 2.98Å
234	R	33.6	Very low	34	Very low	196 Å²	196	105 Å²	105	74%	0.74	57%	0.567	S	S	*	*	H	α-helix	trans	-70	-23.8	171.3	-84.1	-174.6	174.2	-176.6	-0.3	113.2	K230 L231 A232 A237 A238	K230-R234 PolarHBondContact O-N 3.16Å; K230-R234 VanDerWaalsContact O-N 3.08Å; L231-R234 PolarHBondContact O-N 3.47Å; A232-R234 VanDerWaalsContact C-N 3.34Å; A232-R234 PolarHBondContact O-N 3.02Å; R234-A237 PolarHBondContact O-N 3.36Å; R234-A238 PolarHBondContact O-N 2.76Å
235	R	30.8	Very low	33.5	Very low	131 Å²	131	110 Å²	110	49%	0.494	60%	0.599	S	S	.	*	H	α-helix	trans	-71.8	-34	178.4	-112.8	-178.2	-178.4	170.4	3.2	113.2	D96 L231 A232 A233 A237 A238	D96-R235 VanDerWaalsContact CG-NH2 3.31Å; D96-R235 IonicContact OD1-CZ 3.79Å; D96-R235 IonicContact OD1-NH1 2.75Å; D96-R235 IonicContact OD1-NH2 3.2Å; D96-R235 PolarHBondContact OD1-NH2 3.07Å; D96-R235 IonicContact OD2-CZ 3.15Å; D96-R235 IonicContact OD2-NH1 3.59Å; D96-R235 PolarHBondContact OD2-NH1 2.01Å; D96-R235 IonicContact OD2-NH2 2.69Å; D96-R235 PolarHBondContact OD2-NH2 3.48Å; L231-R235 PolarHBondContact O-N 3.46Å; A232-R235 WeakPolarHBondContact O-CB 3.45Å; A232-R235 PolarHBondContact O-N 3.41Å; A232-R235 VanDerWaalsContact O-N 3.15Å; A233-R235 VanDerWaalsContact C-N 3.27Å; A233-R235 PolarHBondContact O-N 3.22Å; R235-A237 VanDerWaalsContact C-N 3.26Å; R235-A237 PolarHBondContact O-N 2.03Å; R235-A238 PolarHBondContact O-N 2.79Å
236	T	31.5	Very low	32.7	Very low	107 Å²	107	109.3 Å²	109.3	66%	0.656	61%	0.608	S	S	*	*	H	α-helix	trans	-69.5	-27	176.2	49.1	0	0	0	0	112.2	A233	A233-T236 PolarHBondContact O-OG1 2.98Å
237	A	26.7	Very low	31.7	Very low	76 Å²	76	112.1 Å²	112.1	63%	0.628	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-15.5	174.6	0	0	0	0	0	114.2	R234 R235	R234-A237 PolarHBondContact O-N 3.36Å; R235-A237 VanDerWaalsContact C-N 3.26Å; R235-A237 PolarHBondContact O-N 2.03Å
238	A	24.9	Very low	30.9	Very low	72 Å²	72	117.4 Å²	117.4	60%	0.595	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	9.8	-179.6	0	0	0	0	0	114.1	R234 R235 V240	R234-A238 PolarHBondContact O-N 2.76Å; R235-A238 PolarHBondContact O-N 2.79Å; A238-V240 PolarHBondContact O-N 2.8Å
239	N	27.5	Very low	30.2	Very low	148 Å²	148	123.8 Å²	123.8	79%	0.791	68%	0.684	S	S	*	*			trans	-73.1	39.7	165.5	-83.5	-13.2	0	0	0	112.2	R241	N239-R241 PolarHBondContact O-N 3.02Å
240	V	23.4	Very low	29	Very low	122 Å²	122	125.4 Å²	125.4	74%	0.739	69%	0.693	S	S	*	*			trans	-92.8	92.9	173.4	-177.8	0	0	0	0	107.4	A238	A238-V240 PolarHBondContact O-N 2.8Å
241	R	22.2	Very low	27.9	Very low	228 Å²	228	125.3 Å²	125.3	86%	0.86	71%	0.708	S	S	*	*			trans	16	104.3	158.9	-68.3	178	177.3	177.4	-2.3	115.3	N239 P243	N239-R241 PolarHBondContact O-N 3.02Å; R241-P243 WeakPolarHBondContact O-CD 3.25Å
242	C	21.9	Very low	27.3	Very low	124 Å²	124	130.1 Å²	130.1	84%	0.838	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-58	122.1	147.7	-66.6	0	0	0	0	107.2	E244	C242-E244 PolarHBondContact O-N 3.46Å
243	P	26.3	Very low	26.8	Very low	118 Å²	118	134.9 Å²	134.9	77%	0.766	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-65	129.9	166.4	27.7	-29.6	0	0	0	107.2	R241	R241-P243 WeakPolarHBondContact O-CD 3.25Å
244	E	23.6	Very low	25.9	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-50.4	137.5	171.4	-77.1	173.2	133.9	0	0	109.7	C242	C242-E244 PolarHBondContact O-N 3.46Å
245	P	29.8	Very low	25.4	Very low	112 Å²	112	133.9 Å²	133.9	73%	0.727	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-68.2	133.8	175.7	28.8	-30.9	0	0	0	108.7
246	P	27.7	Very low	25.1	Very low	117 Å²	117	134.8 Å²	134.8	76%	0.76	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67.2	141.8	171.8	29.3	-31.4	0	0	0	108.6
247	P	26.9	Very low	24.7	Very low	111 Å²	111	136.6 Å²	136.6	72%	0.721	79%	0.792	S	S	*	*	S	Bend	trans	-71	142.4	171.3	31.6	-30.6	0	0	0	108.4
248	T	26.3	Very low	24.5	Very low	133 Å²	133	138.5 Å²	138.5	82%	0.816	80%	0.795	S	S	*	*			trans	70.7	105.4	166.1	62.6	0	0	0	0	117.8
249	Q	27	Very low	24.4	Very low	196 Å²	196	142.6 Å²	142.6	92%	0.916	81%	0.807	S	S	*	*				-163.9	133.9	125.4	-106.8	173.4	11.1	0	0	111.4
250	N	24	Very low	24.2	Very low	145 Å²	145	138.9 Å²	138.9	78%	0.775	80%	0.803	S	S	*	*			trans	-60.5	129	-173.1	-69.3	-32.3	0	0	0	113	Q252	N250-Q252 PolarHBondContact O-N 2.8Å
251	C	21.6	Very low	24.2	Very low	137 Å²	137	142.3 Å²	142.3	93%	0.926	81%	0.811	S	S	*	*			trans	-80.5	104.9	153.8	-74	0	0	0	0	108.2
252	Q	23.9	Very low	24.3	Very low	165 Å²	165	139.1 Å²	139.1	77%	0.771	81%	0.806	S	S	*	*			trans	-107.5	119.8	164.6	-87.6	-176.7	-24.4	0	0	110.2	N250	N250-Q252 PolarHBondContact O-N 2.8Å
253	N	23.2	Very low	24.5	Very low	151 Å²	151	139.9 Å²	139.9	81%	0.807	81%	0.806	S	S	*	*			trans	50.4	131.3	138.5	-65.3	-5.1	0	0	0	123
254	A	21.9	Very low	24.4	Very low	94 Å²	94	140.5 Å²	140.5	78%	0.777	80%	0.803	S	S	*	*			trans	-53.3	150.6	158.3	0	0	0	0	0	113.6
255	T	23.2	Very low	24.5	Very low	142 Å²	142	139.4 Å²	139.4	87%	0.871	80%	0.804	S	S	*	*			trans	-152.7	134.4	146.7	20.2	0	0	0	0	111.1
256	D	22.8	Very low	24.3	Very low	150 Å²	150	140.7 Å²	140.7	80%	0.802	81%	0.809	S	S	*	*			trans	-51.8	148	165.9	-78	-54.7	0	0	0	114
257	V	24.1	Very low	24.1	Very low	145 Å²	145	143.6 Å²	143.6	88%	0.879	81%	0.813	S	S	*	*			trans	-142.1	120	147	-175.2	0	0	0	0	108.8
258	V	23.1	Very low	24.1	Very low	115 Å²	115	148 Å²	148	70%	0.697	83%	0.826	S	S	*	*			trans	-125.5	126.5	164.8	179.5	0	0	0	0	106
259	D	22.5	Very low	24.1	Very low	159 Å²	159	147.8 Å²	147.8	85%	0.85	83%	0.825	S	S	*	*				168.9	153.7	112.9	-114.9	-28.6	0	0	0	115.3
260	G	23.4	Very low	24.1	Very low	69 Å²	69	143.1 Å²	143.1	71%	0.711	81%	0.814	S	S	*	*			trans	102.9	134.3	158.9	0	0	0	0	0	116.1
261	E	23.6	Very low	24.2	Very low	194 Å²	194	143.4 Å²	143.4	91%	0.907	82%	0.821	S	S	*	*			cis	-167.1	169.8	0	-153.3	178.9	169.7	0	0	108.4
262	Q	23.5	Very low	24.4	Very low	161 Å²	161	141.4 Å²	141.4	75%	0.752	81%	0.814	S	S	*	*			trans	-76.5	140.5	-160.5	-168.1	178.3	13.5	0	0	116.2
263	V	26.3	Very low	24.7	Very low	140 Å²	140	137.2 Å²	137.2	85%	0.848	80%	0.803	S	S	*	*			trans	-141.2	119	152.9	-172.9	0	0	0	0	110.4
264	N	23.6	Very low	24.9	Very low	131 Å²	131	137 Å²	137	70%	0.701	81%	0.808	S	S	*	*			trans	-64	132.9	171.7	-105.1	-14.5	0	0	0	111.1
265	N	26	Very low	25.2	Very low	161 Å²	161	142.4 Å²	142.4	86%	0.861	81%	0.809	S	S	*	*			trans	-150.9	128.8	143.3	-92	-23.6	0	0	0	109.9	E267	N265-E267 PolarHBondContact O-N 2.81Å
266	T	25.2	Very low	25.6	Very low	138 Å²	138	140.3 Å²	140.3	85%	0.847	81%	0.806	S	S	*	*			trans	-78.1	111	-172.1	-35.7	0	0	0	0	110.4
267	E	24.5	Very low	26.7	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	80%	0.799	S	S	*	*			trans	-157.3	134.2	157.2	-117.7	173.2	-173.6	0	0	110.1	N265 T269	N265-E267 PolarHBondContact O-N 2.81Å; E267-T269 PolarHBondContact O-N 2.8Å; E267-T269 PolarHBondContact O-OG1 3.19Å
268	M	26.2	Very low	28.3	Very low	205 Å²	205	137.9 Å²	137.9	100%	1.01	79%	0.79	S	S	*	*			trans	-52.1	102	-175.2	-81.8	175.8	165.9	0	0	111.5
269	T	25.6	Very low	30	Very low	127 Å²	127	134.3 Å²	134.3	78%	0.779	77%	0.768	S	S	*	*			trans	-112.4	118.8	176.3	-38.5	0	0	0	0	109	E267	E267-T269 PolarHBondContact O-N 2.8Å; E267-T269 PolarHBondContact O-OG1 3.19Å
270	S	27.1	Very low	31.7	Very low	99 Å²	99	127.5 Å²	127.5	69%	0.692	73%	0.732	S	S	*	*			trans	-37.7	138.5	167.9	41.9	0	0	0	0	112.7	A272	S270-A272 VanDerWaalsContact C-N 3.33Å; S270-A272 PolarHBondContact O-N 3.48Å
271	T	25.8	Very low	33.2	Very low	151 Å²	151	127.8 Å²	127.8	93%	0.926	74%	0.736	S	S	*	*			trans	-45.7	88.4	170.9	22.4	0	0	0	0	112.1	S273	T271-S273 PolarHBondContact O-N 2.81Å
272	A	26.6	Very low	34.8	Very low	94 Å²	94	123.8 Å²	123.8	78%	0.777	73%	0.725	S	S	*	*			trans	-79.2	108.1	166.6	0	0	0	0	0	107.8	S270	S270-A272 VanDerWaalsContact C-N 3.33Å; S270-A272 PolarHBondContact O-N 3.48Å
273	S	29.5	Very low	37.3	Very low	78 Å²	78	121.1 Å²	121.1	55%	0.545	72%	0.716	S	S	.	*			trans	-72	146.1	166.3	78.9	0	0	0	0	109.8	T271 Y275	T271-S273 PolarHBondContact O-N 2.81Å; S273-Y275 PolarHBondContact O-N 3.46Å
274	T	27.5	Very low	40.1	Very low	146 Å²	146	116.9 Å²	116.9	90%	0.896	69%	0.686	S	S	*	*	S	Bend	trans	-73.7	53.9	-166.9	-14.1	0	0	0	0	113.9
275	Y	29.2	Very low	43.2	Very low	208 Å²	208	112.5 Å²	112.5	82%	0.816	66%	0.664	S	S	*	*			trans	-126.5	89	170.5	-79.2	-84.3	0	0	0	110.4	S273	S273-Y275 PolarHBondContact O-N 3.46Å
276	A	32.3	Very low	46.3	Very low	97 Å²	97	106.9 Å²	106.9	80%	0.802	63%	0.632	S	S	*	*			trans	-128.9	87.3	176.4	0	0	0	0	0	111.2
277	E	45.7	Very low	49.4	Very low	140 Å²	140	104.1 Å²	104.1	65%	0.654	61%	0.607	S	S	*	*	S	Bend		-78.3	134.2	121.4	-84.1	-176.3	146.7	0	0	105.4	V279 R318	E277-V279 VanDerWaalsContact C-N 3.25Å; E277-V279 PolarHBondContact O-N 2.96Å; E277-R318 IonicContact OE2-CZ 3.69Å; E277-R318 IonicContact OE2-NH1 3.6Å; E277-R318 IonicContact OE2-NH2 3.18Å; E277-R318 PolarHBondContact OE2-NH2 3.2Å
278	P	56.1	Low	52.5	Low	105 Å²	105	97.9 Å²	97.9	68%	0.682	58%	0.577	S	S	*	*			trans	-70.7	90.7	179.2	29.7	-30.8	0	0	0	107.6	C280	P278-C280 WeakPolarHBondContact CB-O 3.43Å; P278-C280 PolarHBondContact O-N 3.25Å; P278-C280 VanDerWaalsContact O-N 3.09Å
279	V	59.6	Low	55.3	Low	39 Å²	39	89.4 Å²	89.4	24%	0.236	54%	0.535	C	S	.	.	S	Bend	trans	-50.3	-33.6	172.8	178.9	0	0	0	0	109.5	E277 F284 V314 H317 C363	E277-V279 VanDerWaalsContact C-N 3.25Å; E277-V279 PolarHBondContact O-N 2.96Å; V279-F284 HydrophobicContact CG1-CD2 4.35Å; V279-F284 HydrophobicContact CG1-CE2 4.42Å; V279-V314 HydrophobicContact CG1-CG1 4.34Å; V279-V314 HydrophobicContact CG2-CB 4.42Å; V279-V314 HydrophobicContact CG2-CG1 3.56Å; V279-V314 HydrophobicContact CG2-CG2 3.99Å; V279-H317 HydrophobicContact CG1-CB 4.47Å; V279-H317 WeakPolarHBondContact CG1-CD2 3.43Å; V279-C363 PolarHBondContact O-SG 2.92Å
280	C	57.7	Low	58.1	Low	16 Å²	16	84.7 Å²	84.7	11%	0.108	51%	0.507	C	S	.	.	S	Bend	trans	-129.3	139.2	168	-53.2	0	0	0	0	108.5	P278 T282 F284 C363	P278-C280 WeakPolarHBondContact CB-O 3.43Å; P278-C280 PolarHBondContact O-N 3.25Å; P278-C280 VanDerWaalsContact O-N 3.09Å; C280-T282 PolarHBondContact O-N 3.32Å; C280-F284 HydrophobicContact CB-CB 4.3Å; C280-F284 WeakPolarHBondContact SG-CD2 3.27Å; C280-C363 WeakPolarHBondContact CA-SG 3.25Å; C280-C363 HydrophobicContact CB-CB 3.59Å; C280-C363 WeakPolarHBondContact CB-SG 3.2Å; C280-C363 WeakPolarHBondContact SG-CA 3.3Å; C280-C363 WeakPolarHBondContact SG-CB 3.31Å; C280-C363 CovalentContact SG-SG 2.01Å; C280-C363 PolarHBondContact SG-SG 3.01Å
281	G	55	Low	60.4	Low	76 Å²	76	80.9 Å²	80.9	78%	0.784	48%	0.48	S	S	*	.	S	Bend	trans	-65.9	-12.8	176.1	0	0	0	0	0	114.4
282	T	58.6	Low	62.2	Low	109 Å²	109	80.6 Å²	80.6	67%	0.669	47%	0.473	S	S	*	.	S	Bend	trans	-138.5	-63.6	-172.3	41.3	0	0	0	0	113.1	C280 K364	C280-T282 PolarHBondContact O-N 3.32Å; T282-K364 PolarHBondContact OG1-O 2.81Å; T282-K364 VanDerWaalsContact OG1-O 3.06Å
283	N	76	Confident	63.5	Low	106 Å²	106	80.5 Å²	80.5	57%	0.567	46%	0.455	S	S	*	.			trans	-148.1	112.8	-173.3	-84.8	-43.1	0	0	0	112.7	C363 K364	N283-C363 CarbonylContact O-C 3.54Å; N283-C363 WeakPolarHBondContact O-CA 3.27Å; N283-K364 HydrophobicContact CB-CB 4.37Å; N283-K364 PolarHBondContact O-N 2.85Å
284	F	84.7	Confident	64.5	Low	50 Å²	50	81.1 Å²	81.1	22%	0.219	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124	170.6	-174.6	-121	0	0	0	110.1	V279 C280 F286 A313 V314 H317 I361	V279-F284 HydrophobicContact CG1-CD2 4.35Å; V279-F284 HydrophobicContact CG1-CE2 4.42Å; C280-F284 HydrophobicContact CB-CB 4.3Å; C280-F284 WeakPolarHBondContact SG-CD2 3.27Å; F284-F286 HydrophobicContact CD1-CD1 4.33Å; F284-F286 AromaticContact CE1-CD1 3.99Å; F284-F286 HydrophobicContact CE1-CD1 3.99Å; F284-F286 HydrophobicContact CE1-CE1 4.42Å; F284-A313 HydrophobicContact CE1-CB 3.68Å; F284-A313 HydrophobicContact CZ-CB 3.79Å; F284-V314 HydrophobicContact CD1-CG2 4.11Å; F284-V314 HydrophobicContact CE1-CG2 3.65Å; F284-V314 HydrophobicContact CZ-CG2 4.15Å; F284-H317 HydrophobicContact CE2-CB 3.56Å; F284-H317 AromaticContact CE2-CG 3.6Å; F284-H317 AromaticContact CE2-ND1 3.95Å; F284-H317 HydrophobicContact CZ-CB 3.85Å; F284-I361 HydrophobicContact CE2-CG2 3.64Å; F284-I361 HydrophobicContact CZ-CG2 3.47Å; F284-I361 VanDerWaalsContact CZ-CG2 3.47Å
285	T	88	Confident	65.5	Low	40 Å²	40	76.1 Å²	76.1	25%	0.245	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.3	-176.8	63.7	0	0	0	0	111.6	I361 G362 K364	T285-I361 WeakPolarHBondContact O-CA 3.05Å; T285-G362 PolarHBondContact N-O 2.84Å; T285-G362 PolarHBondContact O-N 3.44Å; T285-G362 PolarHBondContact OG1-O 3.03Å; T285-K364 HydrophobicContact CG2-CD 4.01Å; T285-K364 HydrophobicContact CG2-CG 4.22Å
286	F	90.9	Very high	66.2	Low	42 Å²	42	73.1 Å²	73.1	18%	0.184	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	158.5	171.8	61.5	-87.9	0	0	0	109.9	F284 M309 T310 A313 L358 I361	F284-F286 HydrophobicContact CD1-CD1 4.33Å; F284-F286 AromaticContact CE1-CD1 3.99Å; F284-F286 HydrophobicContact CE1-CD1 3.99Å; F284-F286 HydrophobicContact CE1-CE1 4.42Å; F286-M309 HydrophobicContact CE2-CB 4.29Å; F286-M309 HydrophobicContact CZ-CB 4.43Å; F286-T310 HydrophobicContact CE1-CG2 4.31Å; F286-A313 HydrophobicContact CB-CB 4.25Å; F286-A313 HydrophobicContact CD1-CB 3.67Å; F286-A313 HydrophobicContact CD2-CB 4.34Å; F286-A313 HydrophobicContact CE1-CB 4.05Å; F286-A313 HydrophobicContact CG-CB 3.83Å; F286-L358 HydrophobicContact CD2-CD2 3.95Å; F286-L358 HydrophobicContact CE2-CD2 3.95Å; F286-I361 HydrophobicContact CB-CB 4.36Å; F286-I361 HydrophobicContact CB-CG1 3.73Å
287	Y	90.6	Very high	66.8	Low	81 Å²	81	73.1 Å²	73.1	32%	0.318	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149	173.7	-71.1	-105.4	0	0	0	109.1	C343 N345 L358 S359 C360	Y287-C343 VanDerWaalsContact CD1-C 3.47Å; Y287-C343 HydrophobicContact CD1-CB 4.03Å; Y287-C343 HydrophobicContact CD2-CB 3.79Å; Y287-C343 HydrophobicContact CE1-CB 4.12Å; Y287-C343 HydrophobicContact CE2-CB 3.88Å; Y287-C343 HydrophobicContact CG-CB 3.86Å; Y287-N345 VanDerWaalsContact CA-OD1 3.24Å; Y287-N345 WeakPolarHBondContact CA-OD1 3.2Å; Y287-N345 HydrophobicContact CD1-CB 4.27Å; Y287-L358 CarbonylContact O-C 3.43Å; Y287-L358 VanDerWaalsContact O-CA 3.3Å; Y287-L358 WeakPolarHBondContact O-CA 3.33Å; Y287-S359 PolarHBondContact N-O 2.87Å; Y287-S359 PolarHBondContact O-N 3.4Å; Y287-C360 HydrophobicContact CD2-CB 3.71Å; Y287-C360 HydrophobicContact CE2-CB 4.22Å
288	H	90.5	Very high	67.4	Low	47 Å²	47	66.9 Å²	66.9	22%	0.218	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.6	-178.8	68.2	-80.7	0	0	0	112.6	M309 V344 N345 R346 I356 V357 L358	H288-M309 HydrophobicContact CB-SD 4.34Å; H288-V344 CarbonylContact C-O 3.52Å; H288-V344 VanDerWaalsContact O-O 3.13Å; H288-N345 PolarHBondContact N-OD1 3.47Å; H288-N345 PolarHBondContact ND1-OD1 3.17Å; H288-N345 VanDerWaalsContact ND1-OD1 3.12Å; H288-N345 CarbonylContact O-C 3.58Å; H288-N345 VanDerWaalsContact O-CA 3.31Å; H288-N345 WeakPolarHBondContact O-CA 3.19Å; H288-R346 PolarHBondContact O-N 3.34Å; H288-I356 HydrophobicContact CB-CG2 3.93Å; H288-V357 VanDerWaalsContact CA-O 3.27Å; H288-V357 WeakPolarHBondContact CA-O 3.41Å; H288-L358 HydrophobicContact CB-CD2 3.78Å
289	Q	85.4	Confident	67.5	Low	27 Å²	27	64.1 Å²	64.1	13%	0.126	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151.8	172.4	62.2	-179	0.1	0	0	110.8	S291 R346 V357	Q289-S291 PolarHBondContact O-N 3.16Å; Q289-R346 HydrophobicContact CB-CB 3.99Å; Q289-V357 HydrophobicContact CG-CB 4.14Å; Q289-V357 HydrophobicContact CG-CG1 4.16Å; Q289-V357 PolarHBondContact N-O 3.12Å; Q289-V357 PolarHBondContact O-N 3.13Å
290	P	84.1	Confident	67.5	Low	28 Å²	28	65.4 Å²	65.4	18%	0.182	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	138.2	166.6	-24.5	34.1	0	0	0	111.1	R346 A348	P290-R346 WeakPolarHBondContact CD-O 3.34Å; P290-A348 HydrophobicContact CG-CB 3.98Å
291	S	75.6	Confident	67.8	Low	18 Å²	18	66.5 Å²	66.5	13%	0.126	36%	0.364	C	S	.	.			trans	-87	110.4	176.3	-175	0	0	0	0	110	Q289 F293 T355	Q289-S291 PolarHBondContact O-N 3.16Å; S291-F293 PolarHBondContact O-N 2.9Å; S291-F293 PolarHBondContact OG-N 3.45Å; S291-F293 PolarHBondContact OG-O 3.45Å; S291-T355 WeakPolarHBondContact CB-O 3.41Å; S291-T355 PolarHBondContact N-O 2.91Å
292	D	63.5	Low	68.7	Low	146 Å²	146	65 Å²	65	78%	0.781	34%	0.344	S	S	*	.			trans	-76.7	-8.4	163.4	-60.2	-34.7	0	0	0	111.7
293	F	53.8	Low	69.3	Low	92 Å²	92	61.4 Å²	61.4	40%	0.404	32%	0.322	S	S	.	.	S	Bend	trans	-83.6	132.4	-173.3	-63.5	-84.3	0	0	0	111.1	S291 L295 F341	S291-F293 PolarHBondContact O-N 2.9Å; S291-F293 PolarHBondContact OG-N 3.45Å; S291-F293 PolarHBondContact OG-O 3.45Å; F293-L295 PolarHBondContact O-N 3.18Å; F293-L295 VanDerWaalsContact O-N 3.13Å; F293-F341 HydrophobicContact CD1-CE1 4.47Å; F293-F341 AromaticContact CD2-CE1 3.72Å; F293-F341 HydrophobicContact CD2-CE1 3.72Å; F293-F341 HydrophobicContact CD2-CZ 4.42Å; F293-F341 HydrophobicContact CE1-CE1 4.32Å; F293-F341 HydrophobicContact CE2-CD1 4.16Å; F293-F341 AromaticContact CE2-CE1 3.56Å; F293-F341 HydrophobicContact CE2-CE1 3.56Å; F293-F341 HydrophobicContact CG-CE1 4.19Å; F293-F341 AromaticContact CZ-CE1 3.88Å; F293-F341 HydrophobicContact CZ-CE1 3.88Å
294	P	48.9	Very low	69.4	Low	90 Å²	90	57.9 Å²	57.9	58%	0.584	31%	0.307	S	S	*	.			trans	-58.5	123.1	165.2	24.4	-29.9	0	0	0	107.6	Q296	P294-Q296 PolarHBondContact O-N 3.17Å
295	L	50.1	Low	69.2	Low	41 Å²	41	61.6 Å²	61.6	22%	0.215	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	5.2	-178.3	-95.1	165.9	0	0	0	116.5	F293 F326 R335 T355	F293-L295 PolarHBondContact O-N 3.18Å; F293-L295 VanDerWaalsContact O-N 3.13Å; L295-F326 HydrophobicContact CD2-CB 3.89Å; L295-F326 HydrophobicContact CD2-CD1 4.35Å; L295-F326 HydrophobicContact CD2-CG 4.25Å; L295-R335 PolarHBondContact O-NH1 2.86Å; L295-T355 HydrophobicContact CD1-CG2 4.38Å; L295-T355 HydrophobicContact CD2-CG2 3.8Å; L295-T355 HydrophobicContact CG-CG2 4.21Å
296	Q	43.6	Very low	68.8	Low	146 Å²	146	60 Å²	60	68%	0.682	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.9	-175.9	-78.9	-177.5	-17.1	0	0	114.2	P294	P294-Q296 PolarHBondContact O-N 3.17Å
297	E	44.5	Very low	68.3	Low	97 Å²	97	62.8 Å²	62.8	45%	0.453	34%	0.341	S	S	.	.	S	Bend	trans	-91.4	124.8	-172.7	-69.7	-167.6	179.8	0	0	114.2	T299 K339	E297-T299 VanDerWaalsContact C-N 3.33Å; E297-T299 PolarHBondContact O-N 3.15Å; E297-K339 IonicContact OE2-NZ 3.64Å; E297-K339 PolarHBondContact OE2-NZ 3.31Å
298	A	57.4	Low	68.1	Low	8 Å²	8	61.2 Å²	61.2	7%	0.066	34%	0.338	C	S	.	.	S	Bend	trans	60.4	25.9	161.2	0	0	0	0	0	117.1	S337 Y338 K339	A298-S337 VanDerWaalsContact O-CA 3.25Å; A298-S337 WeakPolarHBondContact O-CA 3.39Å; A298-S337 VanDerWaalsContact O-CB 3.25Å; A298-S337 WeakPolarHBondContact O-CB 3.36Å; A298-S337 PolarHBondContact O-OG 2.75Å; A298-Y338 HydrophobicContact CB-CD2 4.34Å; A298-Y338 HydrophobicContact CB-CE1 4.37Å; A298-Y338 HydrophobicContact CB-CE2 3.68Å; A298-K339 HydrophobicContact CB-CB 3.84Å; A298-K339 HydrophobicContact CB-CD 4.23Å
299	T	58.8	Low	68	Low	47 Å²	47	61.7 Å²	61.7	29%	0.288	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.6	168.3	42	0	0	0	0	110.1	E297 F326 R335 L336	E297-T299 VanDerWaalsContact C-N 3.33Å; E297-T299 PolarHBondContact O-N 3.15Å; T299-F326 HydrophobicContact CG2-CD2 3.62Å; T299-F326 HydrophobicContact CG2-CE2 3.94Å; T299-R335 HydrophobicContact CG2-CB 3.46Å; T299-R335 VanDerWaalsContact CG2-CB 3.46Å; T299-L336 CarbonylContact C-O 3.59Å; T299-L336 WeakPolarHBondContact CA-O 3.09Å
300	Y	60	Low	68.1	Low	67 Å²	67	63.8 Å²	63.8	26%	0.263	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-12.7	-176.1	68.5	-92.2	0	0	0	112.9	A319 F321 C322 L336 Y338	Y300-A319 WeakPolarHBondContact OH-CB 3.29Å; Y300-F321 HydrophobicContact CE1-CB 4.18Å; Y300-F321 HydrophobicContact CE2-CB 4.41Å; Y300-C322 HydrophobicContact CE1-CB 4.49Å; Y300-C322 WeakPolarHBondContact OH-CA 3.3Å; Y300-C322 WeakPolarHBondContact OH-CB 3.44Å; Y300-C322 PolarHBondContact OH-N 2.81Å; Y300-C322 VanDerWaalsContact OH-N 3.15Å; Y300-L336 VanDerWaalsContact CD1-O 3.3Å; Y300-L336 WeakPolarHBondContact CD1-O 3.16Å; Y300-L336 HydrophobicContact CE1-CB 3.92Å; Y300-L336 HydrophobicContact CE2-CB 4.38Å; Y300-L336 PolarHBondContact N-O 3.4Å; Y300-Y338 AromaticContact CD1-CD1 3.73Å; Y300-Y338 HydrophobicContact CD1-CD1 3.73Å; Y300-Y338 HydrophobicContact CG-CD1 4.3Å
301	S	63.9	Low	68.3	Low	38 Å²	38	64.1 Å²	64.1	27%	0.266	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	157.8	179.5	-173.3	0	0	0	0	109.6	R335 L336	S301-R335 CarbonylContact O-C 3.33Å; S301-R335 WeakPolarHBondContact O-CA 3.36Å; S301-L336 PolarHBondContact O-N 3.42Å
302	A	74.9	Confident	68.9	Low	44 Å²	44	63.3 Å²	63.3	36%	0.364	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.2	172.7	0	0	0	0	0	109.9	C334 R335	A302-C334 CarbonylContact C-O 3.59Å; A302-C334 VanDerWaalsContact CA-O 3.3Å; A302-C334 WeakPolarHBondContact CA-O 3.43Å; A302-R335 HydrophobicContact CB-CG 4.24Å
303	V	71.3	Confident	70.1	Confident	34 Å²	34	56.3 Å²	56.3	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.8	173.4	-172.1	0	0	0	0	107.1	V306 H315 C334 L336	V303-V306 HydrophobicContact CB-CG2 3.97Å; V303-V306 HydrophobicContact CG1-CG2 3.73Å; V303-H315 HydrophobicContact CG2-CB 4.25Å; V303-C334 HydrophobicContact CB-CB 4.3Å; V303-C334 PolarHBondContact N-O 2.96Å; V303-C334 PolarHBondContact O-N 3.37Å; V303-L336 HydrophobicContact CG2-CD1 4.39Å
304	A	77.7	Confident	71.5	Confident	32 Å²	32	53.2 Å²	53.2	26%	0.264	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	164.9	178	0	0	0	0	0	111.2	V306 G332 N333	A304-V306 VanDerWaalsContact C-N 3.25Å; A304-V306 PolarHBondContact O-N 3.16Å; A304-G332 CarbonylContact C-O 3.55Å; A304-N333 WeakPolarHBondContact CA-OD1 3.31Å; A304-N333 WeakPolarHBondContact CB-OD1 3.19Å
305	N	79.3	Confident	73.1	Confident	128 Å²	128	52.1 Å²	52.1	68%	0.684	29%	0.291	S	S	*	.	S	Bend	trans	59.4	34.3	179.2	-55.3	-8.9	0	0	0	113.4	G332	N305-G332 CarbonylContact C-O 3.5Å; N305-G332 WeakPolarHBondContact CA-O 3.49Å; N305-G332 PolarHBondContact N-O 3.42Å
306	V	79.9	Confident	74.7	Confident	6 Å²	6	50.2 Å²	50.2	4%	0.036	28%	0.281	C	S	.	.			trans	-81.6	125.2	174.1	-177.6	0	0	0	0	108.4	V303 A304 D308 C312 F327 G332 C334	V303-V306 HydrophobicContact CB-CG2 3.97Å; V303-V306 HydrophobicContact CG1-CG2 3.73Å; A304-V306 VanDerWaalsContact C-N 3.25Å; A304-V306 PolarHBondContact O-N 3.16Å; V306-D308 WeakPolarHBondContact CG1-O 3.42Å; V306-C312 HydrophobicContact CG1-CB 3.82Å; V306-F327 HydrophobicContact CB-CE2 4.26Å; V306-F327 HydrophobicContact CG1-CD2 4.29Å; V306-F327 HydrophobicContact CG1-CE2 4.06Å; V306-G332 PolarHBondContact N-O 3.25Å; V306-G332 WeakPolarHBondContact O-CA 3.47Å; V306-C334 HydrophobicContact CB-CB 4.11Å; V306-C334 HydrophobicContact CG1-CB 4.23Å; V306-C334 HydrophobicContact CG2-CB 3.63Å
307	T	80.6	Confident	76.5	Confident	102 Å²	102	46.6 Å²	46.6	63%	0.626	26%	0.264	S	S	*	.			trans	-75.9	-34.1	-170.3	48.7	0	0	0	0	113.4
308	D	86.4	Confident	77.8	Confident	48 Å²	48	48.3 Å²	48.3	26%	0.257	27%	0.266	S	S	.	.	S	Bend	trans	-157.4	171.8	-171.3	56.1	65.2	0	0	0	111.8	V306 T310 S311 C312	V306-D308 WeakPolarHBondContact CG1-O 3.42Å; D308-T310 VanDerWaalsContact C-N 3.27Å; D308-T310 PolarHBondContact O-N 2.91Å; D308-T310 WeakPolarHBondContact OD1-CA 3.27Å; D308-T310 VanDerWaalsContact OD1-CB 3.29Å; D308-T310 WeakPolarHBondContact OD1-CB 3.17Å; D308-T310 PolarHBondContact OD1-N 2.69Å; D308-S311 PolarHBondContact O-N 2.94Å; D308-S311 PolarHBondContact OD1-N 2.86Å; D308-C312 PolarHBondContact O-N 3.4Å; D308-C312 VanDerWaalsContact O-N 3.17Å
309	M	88.6	Confident	78.2	Confident	57 Å²	57	49.1 Å²	49.1	28%	0.281	27%	0.272	S	S	.	.	H	α-helix	trans	-58.3	-38.4	178	-68.4	-177.3	-74.9	0	0	112.6	F286 H288 C312 A313 F327 I356 L358	F286-M309 HydrophobicContact CE2-CB 4.29Å; F286-M309 HydrophobicContact CZ-CB 4.43Å; H288-M309 HydrophobicContact CB-SD 4.34Å; M309-C312 WeakPolarHBondContact O-CB 3.37Å; M309-C312 PolarHBondContact O-N 2.95Å; M309-A313 PolarHBondContact O-N 2.91Å; M309-F327 HydrophobicContact CB-CD1 4.38Å; M309-F327 HydrophobicContact CG-CD1 3.51Å; M309-F327 HydrophobicContact CG-CE1 4Å; M309-F327 HydrophobicContact CG-CG 4.28Å; M309-I356 HydrophobicContact CE-CD1 4.45Å; M309-I356 HydrophobicContact CG-CD1 4.02Å; M309-I356 HydrophobicContact SD-CB 4.35Å; M309-I356 HydrophobicContact SD-CD1 3.44Å; M309-I356 WeakPolarHBondContact SD-CD1 3.34Å; M309-I356 HydrophobicContact SD-CG1 4.46Å; M309-I356 HydrophobicContact SD-CG2 3.78Å; M309-L358 HydrophobicContact CB-CD1 4.42Å; M309-L358 HydrophobicContact CB-CD2 4.05Å; M309-L358 HydrophobicContact CG-CD2 4.22Å; M309-L358 VanDerWaalsContact O-CD1 3.22Å; M309-L358 WeakPolarHBondContact O-CD1 3.28Å; M309-L358 HydrophobicContact SD-CD2 4.3Å
310	T	88.1	Confident	78.1	Confident	71 Å²	71	51.8 Å²	51.8	44%	0.436	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-46.1	-177.1	-55.3	0	0	0	0	110.6	F286 D308 C312 A313 V314	F286-T310 HydrophobicContact CE1-CG2 4.31Å; D308-T310 VanDerWaalsContact C-N 3.27Å; D308-T310 PolarHBondContact O-N 2.91Å; D308-T310 WeakPolarHBondContact OD1-CA 3.27Å; D308-T310 VanDerWaalsContact OD1-CB 3.29Å; D308-T310 WeakPolarHBondContact OD1-CB 3.17Å; D308-T310 PolarHBondContact OD1-N 2.69Å; T310-C312 VanDerWaalsContact C-N 3.3Å; T310-C312 PolarHBondContact O-N 3.42Å; T310-A313 WeakPolarHBondContact O-CB 3.26Å; T310-A313 PolarHBondContact O-N 2.81Å; T310-V314 WeakPolarHBondContact O-CG2 3.4Å; T310-V314 PolarHBondContact O-N 3.21Å
311	S	88	Confident	78.1	Confident	35 Å²	35	51.8 Å²	51.8	25%	0.245	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-41.2	174.9	-177.1	0	0	0	0	111.4	D308 V314 H315	D308-S311 PolarHBondContact O-N 2.94Å; D308-S311 PolarHBondContact OD1-N 2.86Å; S311-V314 PolarHBondContact O-N 2.95Å; S311-H315 PolarHBondContact O-CD2 2.95Å; S311-H315 PolarHBondContact O-N 3.28Å
312	C	88.1	Confident	78.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-44.5	174.2	-176.6	0	0	0	0	112.5	V306 D308 M309 T310 V314 H315 C316 F327 C334 L358	V306-C312 HydrophobicContact CG1-CB 3.82Å; D308-C312 PolarHBondContact O-N 3.4Å; D308-C312 VanDerWaalsContact O-N 3.17Å; M309-C312 WeakPolarHBondContact O-CB 3.37Å; M309-C312 PolarHBondContact O-N 2.95Å; T310-C312 VanDerWaalsContact C-N 3.3Å; T310-C312 PolarHBondContact O-N 3.42Å; C312-V314 VanDerWaalsContact C-N 3.34Å; C312-V314 PolarHBondContact O-N 2.82Å; C312-H315 PolarHBondContact O-N 2.83Å; C312-C316 PolarHBondContact O-N 3.48Å; C312-F327 HydrophobicContact CB-CB 4.14Å; C312-F327 HydrophobicContact CB-CD2 3.96Å; C312-F327 HydrophobicContact CB-CG 4.31Å; C312-C334 WeakPolarHBondContact CA-SG 3.14Å; C312-C334 HydrophobicContact CB-CB 3.64Å; C312-C334 WeakPolarHBondContact CB-SG 3.16Å; C312-C334 PolarHBondContact O-SG 3.22Å; C312-C334 VanDerWaalsContact O-SG 3.41Å; C312-C334 WeakPolarHBondContact SG-CB 3.35Å; C312-C334 CovalentContact SG-SG 2.03Å; C312-C334 PolarHBondContact SG-SG 3.27Å; C312-L358 HydrophobicContact CB-CD1 3.71Å
313	A	88.5	Confident	78.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-41.5	175.6	0	0	0	0	0	111.4	F284 F286 M309 T310 C316 H317 L358 I361	F284-A313 HydrophobicContact CE1-CB 3.68Å; F284-A313 HydrophobicContact CZ-CB 3.79Å; F286-A313 HydrophobicContact CB-CB 4.25Å; F286-A313 HydrophobicContact CD1-CB 3.67Å; F286-A313 HydrophobicContact CD2-CB 4.34Å; F286-A313 HydrophobicContact CE1-CB 4.05Å; F286-A313 HydrophobicContact CG-CB 3.83Å; M309-A313 PolarHBondContact O-N 2.91Å; T310-A313 WeakPolarHBondContact O-CB 3.26Å; T310-A313 PolarHBondContact O-N 2.81Å; A313-C316 CarbonylContact O-C 3.58Å; A313-C316 WeakPolarHBondContact O-CB 3.29Å; A313-C316 PolarHBondContact O-N 3.5Å; A313-H317 WeakPolarHBondContact O-CB 3.42Å; A313-H317 PolarHBondContact O-N 2.78Å; A313-L358 HydrophobicContact CB-CD1 4.09Å; A313-I361 HydrophobicContact CB-CD1 4.44Å; A313-I361 HydrophobicContact CB-CG1 4.38Å; A313-I361 HydrophobicContact CB-CG2 4.26Å; A313-I361 WeakPolarHBondContact O-CG2 3.4Å
314	V	83.2	Confident	79.3	Confident	27 Å²	27	52.7 Å²	52.7	16%	0.164	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-44.9	176.3	168	0	0	0	0	111.3	V279 F284 T310 S311 C312 C316 H317 R318	V279-V314 HydrophobicContact CG1-CG1 4.34Å; V279-V314 HydrophobicContact CG2-CB 4.42Å; V279-V314 HydrophobicContact CG2-CG1 3.56Å; V279-V314 HydrophobicContact CG2-CG2 3.99Å; F284-V314 HydrophobicContact CD1-CG2 4.11Å; F284-V314 HydrophobicContact CE1-CG2 3.65Å; F284-V314 HydrophobicContact CZ-CG2 4.15Å; T310-V314 WeakPolarHBondContact O-CG2 3.4Å; T310-V314 PolarHBondContact O-N 3.21Å; S311-V314 PolarHBondContact O-N 2.95Å; C312-V314 VanDerWaalsContact C-N 3.34Å; C312-V314 PolarHBondContact O-N 2.82Å; V314-C316 VanDerWaalsContact C-N 3.27Å; V314-C316 PolarHBondContact O-N 3.05Å; V314-H317 PolarHBondContact O-N 3.36Å; V314-R318 HydrophobicContact CG1-CG 4.42Å; V314-R318 WeakPolarHBondContact O-CG 3.32Å; V314-R318 PolarHBondContact O-N 3.4Å
315	H	82.3	Confident	79.7	Confident	67 Å²	67	51.2 Å²	51.2	31%	0.31	27%	0.265	S	S	.	.	H	α-helix	trans	-59.1	-40.9	174.9	-81.6	-63.7	0	0	0	112.1	V303 S311 C312 A319 L336	V303-H315 HydrophobicContact CG2-CB 4.25Å; S311-H315 PolarHBondContact O-CD2 2.95Å; S311-H315 PolarHBondContact O-N 3.28Å; C312-H315 PolarHBondContact O-N 2.83Å; H315-A319 WeakPolarHBondContact O-CB 3.06Å; H315-A319 PolarHBondContact O-N 2.87Å; H315-A319 VanDerWaalsContact O-N 3.13Å; H315-L336 HydrophobicContact CB-CD2 4.46Å
316	C	82.9	Confident	80.2	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-49.9	173.4	-172	0	0	0	0	111.3	C312 A313 V314 R318 A319 C322 A325 L336 I361	C312-C316 PolarHBondContact O-N 3.48Å; A313-C316 CarbonylContact O-C 3.58Å; A313-C316 WeakPolarHBondContact O-CB 3.29Å; A313-C316 PolarHBondContact O-N 3.5Å; V314-C316 VanDerWaalsContact C-N 3.27Å; V314-C316 PolarHBondContact O-N 3.05Å; C316-R318 VanDerWaalsContact C-N 3.28Å; C316-R318 PolarHBondContact O-N 3.26Å; C316-A319 PolarHBondContact O-N 3.49Å; C316-A319 VanDerWaalsContact O-O 3.08Å; C316-C322 WeakPolarHBondContact CA-SG 3.3Å; C316-C322 HydrophobicContact CB-CB 3.88Å; C316-C322 WeakPolarHBondContact CB-SG 3.41Å; C316-C322 WeakPolarHBondContact O-CB 2.99Å; C316-C322 WeakPolarHBondContact SG-CB 3.41Å; C316-C322 CovalentContact SG-SG 2.02Å; C316-C322 PolarHBondContact SG-SG 2.76Å; C316-A325 HydrophobicContact CB-CB 3.89Å; C316-L336 HydrophobicContact CB-CD2 3.98Å; C316-I361 HydrophobicContact CB-CD1 3.73Å; C316-I361 WeakPolarHBondContact SG-CD1 3.26Å
317	H	82.1	Confident	80.5	Confident	70 Å²	70	45.6 Å²	45.6	32%	0.324	23%	0.234	S	C	.	.	H	α-helix	trans	-57.3	-40.1	-179.8	-173.8	67.7	0	0	0	113.2	V279 F284 A313 V314 A319 I361 C363	V279-H317 HydrophobicContact CG1-CB 4.47Å; V279-H317 WeakPolarHBondContact CG1-CD2 3.43Å; F284-H317 HydrophobicContact CE2-CB 3.56Å; F284-H317 AromaticContact CE2-CG 3.6Å; F284-H317 AromaticContact CE2-ND1 3.95Å; F284-H317 HydrophobicContact CZ-CB 3.85Å; A313-H317 WeakPolarHBondContact O-CB 3.42Å; A313-H317 PolarHBondContact O-N 2.78Å; V314-H317 PolarHBondContact O-N 3.36Å; H317-A319 VanDerWaalsContact C-N 3.3Å; H317-I361 HydrophobicContact CB-CG2 3.88Å; H317-C363 PolarHBondContact NE2-SG 2.6Å; H317-C363 VanDerWaalsContact NE2-SG 3.37Å
318	R	72.7	Confident	80.7	Confident	133 Å²	133	41.6 Å²	41.6	50%	0.502	21%	0.209	S	C	.	.	H	α-helix	trans	-71.7	-24.9	177	-69.9	176.7	174.5	-156.5	-10.5	112.7	E277 V314 C316 V320	E277-R318 IonicContact OE2-CZ 3.69Å; E277-R318 IonicContact OE2-NH1 3.6Å; E277-R318 IonicContact OE2-NH2 3.18Å; E277-R318 PolarHBondContact OE2-NH2 3.2Å; V314-R318 HydrophobicContact CG1-CG 4.42Å; V314-R318 WeakPolarHBondContact O-CG 3.32Å; V314-R318 PolarHBondContact O-N 3.4Å; C316-R318 VanDerWaalsContact C-N 3.28Å; C316-R318 PolarHBondContact O-N 3.26Å; R318-V320 PolarHBondContact O-N 3.21Å
319	A	65.7	Low	80.5	Confident	24 Å²	24	41.9 Å²	41.9	20%	0.198	21%	0.213	C	C	.	.	S	Bend	trans	-83.7	115.8	179.8	0	0	0	0	0	110.5	Y300 H315 C316 H317 F321 C322 L336	Y300-A319 WeakPolarHBondContact OH-CB 3.29Å; H315-A319 WeakPolarHBondContact O-CB 3.06Å; H315-A319 PolarHBondContact O-N 2.87Å; H315-A319 VanDerWaalsContact O-N 3.13Å; C316-A319 PolarHBondContact O-N 3.49Å; C316-A319 VanDerWaalsContact O-O 3.08Å; H317-A319 VanDerWaalsContact C-N 3.3Å; A319-F321 PolarHBondContact O-N 3.38Å; A319-C322 HydrophobicContact CB-CB 3.95Å; A319-C322 PolarHBondContact O-N 2.8Å; A319-L336 HydrophobicContact CB-CD1 3.72Å
320	V	55.8	Low	80.1	Confident	104 Å²	104	44.5 Å²	44.5	63%	0.63	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-33.7	-174.7	-179.2	0	0	0	0	114.2	R318	R318-V320 PolarHBondContact O-N 3.21Å
321	F	59.4	Low	79.7	Confident	66 Å²	66	46.3 Å²	46.3	29%	0.289	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-0.6	-173.5	-48.4	-52.2	0	0	0	114.1	Y132 Y300 A319 R323 Y338	Y132-F321 HydrophobicContact CD2-CE1 4.09Å; Y132-F321 HydrophobicContact CG-CD1 4.49Å; Y132-F321 HydrophobicContact CG-CE1 4.26Å; Y300-F321 HydrophobicContact CE1-CB 4.18Å; Y300-F321 HydrophobicContact CE2-CB 4.41Å; A319-F321 PolarHBondContact O-N 3.38Å; F321-R323 PolarHBondContact O-N 2.77Å; F321-Y338 WeakPolarHBondContact O-CA 3.38Å
322	C	69.8	Low	79.3	Confident	19 Å²	19	45.3 Å²	45.3	13%	0.128	23%	0.229	C	C	.	.			trans	-83.9	124.1	-173.6	-162	0	0	0	0	110.7	Y300 C316 A319 T324 L336 S337	Y300-C322 HydrophobicContact CE1-CB 4.49Å; Y300-C322 WeakPolarHBondContact OH-CA 3.3Å; Y300-C322 WeakPolarHBondContact OH-CB 3.44Å; Y300-C322 PolarHBondContact OH-N 2.81Å; Y300-C322 VanDerWaalsContact OH-N 3.15Å; C316-C322 WeakPolarHBondContact CA-SG 3.3Å; C316-C322 HydrophobicContact CB-CB 3.88Å; C316-C322 WeakPolarHBondContact CB-SG 3.41Å; C316-C322 WeakPolarHBondContact O-CB 2.99Å; C316-C322 WeakPolarHBondContact SG-CB 3.41Å; C316-C322 CovalentContact SG-SG 2.02Å; C316-C322 PolarHBondContact SG-SG 2.76Å; A319-C322 HydrophobicContact CB-CB 3.95Å; A319-C322 PolarHBondContact O-N 2.8Å; C322-T324 PolarHBondContact SG-O 3.39Å; C322-L336 HydrophobicContact CB-CB 4.47Å; C322-S337 WeakPolarHBondContact CA-O 3.41Å
323	R	78.2	Confident	79	Confident	116 Å²	116	47 Å²	47	44%	0.438	24%	0.239	S	C	.	.	S	Bend	trans	-106.1	-33.7	172.5	-70.9	-66.5	-164.4	-174.2	-3.6	111.5	T130 F321 S337 Y338 K339	T130-R323 HydrophobicContact CG2-CG 4.4Å; T130-R323 PolarHBondContact OG1-NE 2.68Å; F321-R323 PolarHBondContact O-N 2.77Å; R323-S337 PolarHBondContact N-O 3.13Å; R323-Y338 WeakPolarHBondContact CG-O 3.48Å; R323-K339 WeakPolarHBondContact CB-O 3.46Å
324	T	87.3	Confident	78.7	Confident	1 Å²	1	47 Å²	47	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.1	177.3	55.1	0	0	0	0	110.6	C322 S337 K339 F341 L358	C322-T324 PolarHBondContact SG-O 3.39Å; T324-S337 PolarHBondContact N-O 2.86Å; T324-S337 VanDerWaalsContact N-O 3.16Å; T324-S337 WeakPolarHBondContact O-CA 3.28Å; T324-S337 WeakPolarHBondContact O-CB 3.38Å; T324-S337 PolarHBondContact O-N 3.36Å; T324-S337 VanDerWaalsContact O-O 3.08Å; T324-K339 WeakPolarHBondContact CB-O 3.33Å; T324-K339 VanDerWaalsContact CG2-O 3.32Å; T324-K339 WeakPolarHBondContact CG2-O 3.42Å; T324-K339 PolarHBondContact OG1-O 3.44Å; T324-F341 HydrophobicContact CG2-CB 3.89Å; T324-F341 HydrophobicContact CG2-CD2 3.66Å; T324-F341 HydrophobicContact CG2-CG 4.22Å; T324-L358 CarbonylContact C-O 3.56Å; T324-L358 WeakPolarHBondContact CA-O 3.49Å; T324-L358 WeakPolarHBondContact CB-O 3.46Å; T324-L358 WeakPolarHBondContact CG2-O 3.48Å
325	A	88	Confident	78.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.5	175.1	0	0	0	0	0	110.8	C316 R335 L336 V357 L358 I361	C316-A325 HydrophobicContact CB-CB 3.89Å; A325-R335 CarbonylContact C-O 3.51Å; A325-R335 WeakPolarHBondContact CA-O 3.15Å; A325-L336 HydrophobicContact CB-CD2 4.13Å; A325-V357 CarbonylContact O-C 3.55Å; A325-L358 HydrophobicContact CB-CB 4.4Å; A325-L358 HydrophobicContact CB-CD1 4.44Å; A325-L358 PolarHBondContact N-O 2.96Å; A325-L358 PolarHBondContact O-N 2.59Å; A325-I361 HydrophobicContact CB-CD1 4.49Å
326	F	88.2	Confident	78.3	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.4	175.8	-61.9	-98.3	0	0	0	107.9	L295 T299 C334 R335 F341 T355 I356 V357	L295-F326 HydrophobicContact CD2-CB 3.89Å; L295-F326 HydrophobicContact CD2-CD1 4.35Å; L295-F326 HydrophobicContact CD2-CG 4.25Å; T299-F326 HydrophobicContact CG2-CD2 3.62Å; T299-F326 HydrophobicContact CG2-CE2 3.94Å; F326-C334 CarbonylContact O-C 3.56Å; F326-C334 WeakPolarHBondContact O-CA 3.38Å; F326-R335 HydrophobicContact CB-CB 4.29Å; F326-R335 PolarHBondContact N-O 3.38Å; F326-R335 PolarHBondContact O-N 2.87Å; F326-F341 HydrophobicContact CE1-CZ 4.4Å; F326-F341 HydrophobicContact CE2-CE2 4.37Å; F326-F341 AromaticContact CZ-CE2 3.74Å; F326-F341 HydrophobicContact CZ-CE2 3.74Å; F326-F341 AromaticContact CZ-CZ 3.79Å; F326-F341 HydrophobicContact CZ-CZ 3.79Å; F326-T355 HydrophobicContact CB-CG2 3.89Å; F326-T355 HydrophobicContact CD1-CG2 4.41Å; F326-I356 CarbonylContact C-O 3.59Å; F326-I356 WeakPolarHBondContact CA-O 3.37Å; F326-V357 HydrophobicContact CD1-CG2 3.36Å; F326-V357 HydrophobicContact CE1-CG2 3.16Å; F326-V357 HydrophobicContact CG-CG2 4.31Å; F326-V357 HydrophobicContact CZ-CG2 3.98Å
327	F	87.1	Confident	77.9	Confident	11 Å²	11	45.7 Å²	45.7	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.8	176.7	178.9	-118.1	0	0	0	110.1	V306 M309 C312 P329 T355 I356 L358	V306-F327 HydrophobicContact CB-CE2 4.26Å; V306-F327 HydrophobicContact CG1-CD2 4.29Å; V306-F327 HydrophobicContact CG1-CE2 4.06Å; M309-F327 HydrophobicContact CB-CD1 4.38Å; M309-F327 HydrophobicContact CG-CD1 3.51Å; M309-F327 HydrophobicContact CG-CE1 4Å; M309-F327 HydrophobicContact CG-CG 4.28Å; C312-F327 HydrophobicContact CB-CB 4.14Å; C312-F327 HydrophobicContact CB-CD2 3.96Å; C312-F327 HydrophobicContact CB-CG 4.31Å; F327-P329 HydrophobicContact CD1-CB 4.4Å; F327-P329 HydrophobicContact CE1-CB 3.82Å; F327-P329 HydrophobicContact CZ-CB 4.39Å; F327-P329 WeakPolarHBondContact O-CD 3.39Å; F327-T355 CarbonylContact O-C 3.48Å; F327-T355 WeakPolarHBondContact O-CA 3.34Å; F327-T355 WeakPolarHBondContact O-CG2 3.44Å; F327-I356 PolarHBondContact N-O 3.24Å; F327-I356 PolarHBondContact O-N 3.48Å; F327-L358 HydrophobicContact CB-CD1 4.32Å
328	D	84.6	Confident	77.2	Confident	17 Å²	17	44.8 Å²	44.8	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	104.3	172	-174.9	-28.1	0	0	0	108.8	L330 L331 G332 N333	D328-L330 VanDerWaalsContact C-N 3.26Å; D328-L330 PolarHBondContact O-N 2.83Å; D328-L330 WeakPolarHBondContact OD1-CB 3.33Å; D328-L330 PolarHBondContact OD1-N 3.12Å; D328-L331 HydrophobicContact CB-CB 4.4Å; D328-L331 PolarHBondContact O-N 2.76Å; D328-L331 PolarHBondContact OD1-N 2.87Å; D328-L331 WeakPolarHBondContact OD2-CD1 3.44Å; D328-L331 WeakPolarHBondContact OD2-CG 2.98Å; D328-G332 WeakPolarHBondContact O-CA 3.41Å; D328-G332 PolarHBondContact O-N 3.1Å; D328-N333 HydrophobicContact CB-CB 4.32Å; D328-N333 PolarHBondContact N-O 3.32Å; D328-N333 PolarHBondContact O-N 3.09Å
329	P	81.5	Confident	77.1	Confident	55 Å²	55	41.8 Å²	41.8	36%	0.357	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23	-177.7	26.8	-33.3	0	0	0	113.1	F327	F327-P329 HydrophobicContact CD1-CB 4.4Å; F327-P329 HydrophobicContact CE1-CB 3.82Å; F327-P329 HydrophobicContact CZ-CB 4.39Å; F327-P329 WeakPolarHBondContact O-CD 3.39Å
330	L	81	Confident	77.6	Confident	112 Å²	112	47.6 Å²	47.6	59%	0.586	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-42.4	178.5	-73.7	174.9	0	0	0	111.8	D328 N353	D328-L330 VanDerWaalsContact C-N 3.26Å; D328-L330 PolarHBondContact O-N 2.83Å; D328-L330 WeakPolarHBondContact OD1-CB 3.33Å; D328-L330 PolarHBondContact OD1-N 3.12Å; L330-N353 HydrophobicContact CD1-CB 3.68Å; L330-N353 HydrophobicContact CD2-CB 4.06Å; L330-N353 HydrophobicContact CG-CB 3.82Å
331	L	78.9	Confident	78.6	Confident	108 Å²	108	43.3 Å²	43.3	57%	0.565	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-8.7	-175.5	-61.4	-177.8	0	0	0	113.3	D328 N333	D328-L331 HydrophobicContact CB-CB 4.4Å; D328-L331 PolarHBondContact O-N 2.76Å; D328-L331 PolarHBondContact OD1-N 2.87Å; D328-L331 WeakPolarHBondContact OD2-CD1 3.44Å; D328-L331 WeakPolarHBondContact OD2-CG 2.98Å; L331-N333 HydrophobicContact CB-CB 4.26Å; L331-N333 PolarHBondContact O-N 3.13Å
332	G	80.5	Confident	79.4	Confident	14 Å²	14	44.2 Å²	44.2	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	38.5	-171.8	0	0	0	0	0	111.4	A304 N305 V306 D328	A304-G332 CarbonylContact C-O 3.55Å; N305-G332 CarbonylContact C-O 3.5Å; N305-G332 WeakPolarHBondContact CA-O 3.49Å; N305-G332 PolarHBondContact N-O 3.42Å; V306-G332 PolarHBondContact N-O 3.25Å; V306-G332 WeakPolarHBondContact O-CA 3.47Å; D328-G332 WeakPolarHBondContact O-CA 3.41Å; D328-G332 PolarHBondContact O-N 3.1Å
333	N	80.8	Confident	80.1	Confident	37 Å²	37	46.6 Å²	46.6	20%	0.198	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.5	-176.9	-81.3	-30	0	0	0	110.3	A304 D328 L331	A304-N333 WeakPolarHBondContact CA-OD1 3.31Å; A304-N333 WeakPolarHBondContact CB-OD1 3.19Å; D328-N333 HydrophobicContact CB-CB 4.32Å; D328-N333 PolarHBondContact N-O 3.32Å; D328-N333 PolarHBondContact O-N 3.09Å; L331-N333 HydrophobicContact CB-CB 4.26Å; L331-N333 PolarHBondContact O-N 3.13Å
334	C	82	Confident	80.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.1	173.8	-179.8	0	0	0	0	109.5	A302 V303 V306 C312 F326	A302-C334 CarbonylContact C-O 3.59Å; A302-C334 VanDerWaalsContact CA-O 3.3Å; A302-C334 WeakPolarHBondContact CA-O 3.43Å; V303-C334 HydrophobicContact CB-CB 4.3Å; V303-C334 PolarHBondContact N-O 2.96Å; V303-C334 PolarHBondContact O-N 3.37Å; V306-C334 HydrophobicContact CB-CB 4.11Å; V306-C334 HydrophobicContact CG1-CB 4.23Å; V306-C334 HydrophobicContact CG2-CB 3.63Å; C312-C334 WeakPolarHBondContact CA-SG 3.14Å; C312-C334 HydrophobicContact CB-CB 3.64Å; C312-C334 WeakPolarHBondContact CB-SG 3.16Å; C312-C334 PolarHBondContact O-SG 3.22Å; C312-C334 VanDerWaalsContact O-SG 3.41Å; C312-C334 WeakPolarHBondContact SG-CB 3.35Å; C312-C334 CovalentContact SG-SG 2.03Å; C312-C334 PolarHBondContact SG-SG 3.27Å; F326-C334 CarbonylContact O-C 3.56Å; F326-C334 WeakPolarHBondContact O-CA 3.38Å
335	R	81.4	Confident	80.3	Confident	60 Å²	60	47.9 Å²	47.9	23%	0.226	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.8	176.9	-50.6	-172.4	-170.3	179.6	1.4	110	L295 T299 S301 A302 A325 F326	L295-R335 PolarHBondContact O-NH1 2.86Å; T299-R335 HydrophobicContact CG2-CB 3.46Å; T299-R335 VanDerWaalsContact CG2-CB 3.46Å; S301-R335 CarbonylContact O-C 3.33Å; S301-R335 WeakPolarHBondContact O-CA 3.36Å; A302-R335 HydrophobicContact CB-CG 4.24Å; A325-R335 CarbonylContact C-O 3.51Å; A325-R335 WeakPolarHBondContact CA-O 3.15Å; F326-R335 HydrophobicContact CB-CB 4.29Å; F326-R335 PolarHBondContact N-O 3.38Å; F326-R335 PolarHBondContact O-N 2.87Å
336	L	77.5	Confident	79.9	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.1	-176.8	-51.8	-174.1	0	0	0	109.8	T299 Y300 S301 V303 H315 C316 A319 C322 A325	T299-L336 CarbonylContact C-O 3.59Å; T299-L336 WeakPolarHBondContact CA-O 3.09Å; Y300-L336 VanDerWaalsContact CD1-O 3.3Å; Y300-L336 WeakPolarHBondContact CD1-O 3.16Å; Y300-L336 HydrophobicContact CE1-CB 3.92Å; Y300-L336 HydrophobicContact CE2-CB 4.38Å; Y300-L336 PolarHBondContact N-O 3.4Å; S301-L336 PolarHBondContact O-N 3.42Å; V303-L336 HydrophobicContact CG2-CD1 4.39Å; H315-L336 HydrophobicContact CB-CD2 4.46Å; C316-L336 HydrophobicContact CB-CD2 3.98Å; A319-L336 HydrophobicContact CB-CD1 3.72Å; C322-L336 HydrophobicContact CB-CB 4.47Å; A325-L336 HydrophobicContact CB-CD2 4.13Å
337	S	73.4	Confident	79.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.1	-177.5	-177.4	0	0	0	0	111.8	A298 C322 R323 T324 K339	A298-S337 VanDerWaalsContact O-CA 3.25Å; A298-S337 WeakPolarHBondContact O-CA 3.39Å; A298-S337 VanDerWaalsContact O-CB 3.25Å; A298-S337 WeakPolarHBondContact O-CB 3.36Å; A298-S337 PolarHBondContact O-OG 2.75Å; C322-S337 WeakPolarHBondContact CA-O 3.41Å; R323-S337 PolarHBondContact N-O 3.13Å; T324-S337 PolarHBondContact N-O 2.86Å; T324-S337 VanDerWaalsContact N-O 3.16Å; T324-S337 WeakPolarHBondContact O-CA 3.28Å; T324-S337 WeakPolarHBondContact O-CB 3.38Å; T324-S337 PolarHBondContact O-N 3.36Å; T324-S337 VanDerWaalsContact O-O 3.08Å; S337-K339 VanDerWaalsContact C-N 3.29Å; S337-K339 WeakPolarHBondContact OG-CB 3.4Å; S337-K339 PolarHBondContact OG-N 2.92Å
338	Y	67.3	Low	78	Confident	50 Å²	50	64.9 Å²	64.9	20%	0.196	33%	0.331	C	S	.	.	S	Bend	trans	-83	-8.9	170	53.3	-101.4	0	0	0	112.3	Q178 A298 Y300 F321 R323	Q178-Y338 VanDerWaalsContact CG-OH 3.27Å; Q178-Y338 WeakPolarHBondContact CG-OH 3.16Å; A298-Y338 HydrophobicContact CB-CD2 4.34Å; A298-Y338 HydrophobicContact CB-CE1 4.37Å; A298-Y338 HydrophobicContact CB-CE2 3.68Å; Y300-Y338 AromaticContact CD1-CD1 3.73Å; Y300-Y338 HydrophobicContact CD1-CD1 3.73Å; Y300-Y338 HydrophobicContact CG-CD1 4.3Å; F321-Y338 WeakPolarHBondContact O-CA 3.38Å; R323-Y338 WeakPolarHBondContact CG-O 3.48Å
339	K	71.6	Confident	76.9	Confident	70 Å²	70	68 Å²	68	30%	0.304	35%	0.353	S	S	.	.			trans	-72.2	135.7	178.9	-167.3	172.3	-175.3	-177.9	0	109.1	E297 A298 R323 T324 S337 F341	E297-K339 IonicContact OE2-NZ 3.64Å; E297-K339 PolarHBondContact OE2-NZ 3.31Å; A298-K339 HydrophobicContact CB-CB 3.84Å; A298-K339 HydrophobicContact CB-CD 4.23Å; R323-K339 WeakPolarHBondContact CB-O 3.46Å; T324-K339 WeakPolarHBondContact CB-O 3.33Å; T324-K339 VanDerWaalsContact CG2-O 3.32Å; T324-K339 WeakPolarHBondContact CG2-O 3.42Å; T324-K339 PolarHBondContact OG1-O 3.44Å; S337-K339 VanDerWaalsContact C-N 3.29Å; S337-K339 WeakPolarHBondContact OG-CB 3.4Å; S337-K339 PolarHBondContact OG-N 2.92Å; K339-F341 HydrophobicContact CB-CE2 4.04Å; K339-F341 HydrophobicContact CD-CE2 3.83Å; K339-F341 HydrophobicContact CD-CZ 3.95Å; K339-F341 HydrophobicContact CG-CD2 4.37Å; K339-F341 HydrophobicContact CG-CE2 3.88Å; K339-F341 HydrophobicContact CG-CZ 4.46Å
340	K	75.4	Confident	75.8	Confident	146 Å²	146	72.1 Å²	72.1	64%	0.635	38%	0.379	S	S	*	.			trans	-89.1	131.7	174.7	-171.2	-179.5	177.5	-172.4	0	108.9
341	F	76.3	Confident	74.6	Confident	14 Å²	14	70.5 Å²	70.5	6%	0.061	39%	0.39	C	S	.	.			trans	-112.7	158.2	169.7	-72.8	-103.6	0	0	0	110.5	F293 T324 F326 K339 V357	F293-F341 HydrophobicContact CD1-CE1 4.47Å; F293-F341 AromaticContact CD2-CE1 3.72Å; F293-F341 HydrophobicContact CD2-CE1 3.72Å; F293-F341 HydrophobicContact CD2-CZ 4.42Å; F293-F341 HydrophobicContact CE1-CE1 4.32Å; F293-F341 HydrophobicContact CE2-CD1 4.16Å; F293-F341 AromaticContact CE2-CE1 3.56Å; F293-F341 HydrophobicContact CE2-CE1 3.56Å; F293-F341 HydrophobicContact CG-CE1 4.19Å; F293-F341 AromaticContact CZ-CE1 3.88Å; F293-F341 HydrophobicContact CZ-CE1 3.88Å; T324-F341 HydrophobicContact CG2-CB 3.89Å; T324-F341 HydrophobicContact CG2-CD2 3.66Å; T324-F341 HydrophobicContact CG2-CG 4.22Å; F326-F341 HydrophobicContact CE1-CZ 4.4Å; F326-F341 HydrophobicContact CE2-CE2 4.37Å; F326-F341 AromaticContact CZ-CE2 3.74Å; F326-F341 HydrophobicContact CZ-CE2 3.74Å; F326-F341 AromaticContact CZ-CZ 3.79Å; F326-F341 HydrophobicContact CZ-CZ 3.79Å; K339-F341 HydrophobicContact CB-CE2 4.04Å; K339-F341 HydrophobicContact CD-CE2 3.83Å; K339-F341 HydrophobicContact CD-CZ 3.95Å; K339-F341 HydrophobicContact CG-CD2 4.37Å; K339-F341 HydrophobicContact CG-CE2 3.88Å; K339-F341 HydrophobicContact CG-CZ 4.46Å; F341-V357 HydrophobicContact CB-CG1 4.31Å; F341-V357 HydrophobicContact CG-CG1 4.27Å
342	P	76.3	Confident	73.7	Confident	86 Å²	86	67.3 Å²	67.3	56%	0.558	38%	0.376	S	S	*	.			trans	-56.2	148.7	173.7	-24.2	34.7	0	0	0	112.9	V344 S359	P342-V344 HydrophobicContact CB-CG2 3.9Å; P342-V344 PolarHBondContact O-N 3.12Å; P342-V344 VanDerWaalsContact O-N 3.1Å; P342-S359 PolarHBondContact O-OG 2.05Å
343	C	85.1	Confident	73	Confident	68 Å²	68	71.7 Å²	71.7	46%	0.459	40%	0.397	S	S	.	.			trans	-80.5	82.9	175	-42.8	0	0	0	0	109.8	Y287 C360	Y287-C343 VanDerWaalsContact CD1-C 3.47Å; Y287-C343 HydrophobicContact CD1-CB 4.03Å; Y287-C343 HydrophobicContact CD2-CB 3.79Å; Y287-C343 HydrophobicContact CE1-CB 4.12Å; Y287-C343 HydrophobicContact CE2-CB 3.88Å; Y287-C343 HydrophobicContact CG-CB 3.86Å; C343-C360 WeakPolarHBondContact CA-SG 3.47Å; C343-C360 HydrophobicContact CB-CB 3.71Å; C343-C360 WeakPolarHBondContact CB-SG 3.41Å; C343-C360 WeakPolarHBondContact SG-CB 3.07Å; C343-C360 CovalentContact SG-SG 2.01Å; C343-C360 PolarHBondContact SG-SG 2.96Å
344	V	83.4	Confident	72.6	Confident	51 Å²	51	71.6 Å²	71.6	31%	0.309	40%	0.399	S	S	.	.			trans	-122.9	129.4	-177.3	179.5	0	0	0	0	108.8	H288 P342 R346	H288-V344 CarbonylContact C-O 3.52Å; H288-V344 VanDerWaalsContact O-O 3.13Å; P342-V344 HydrophobicContact CB-CG2 3.9Å; P342-V344 PolarHBondContact O-N 3.12Å; P342-V344 VanDerWaalsContact O-N 3.1Å; V344-R346 HydrophobicContact CG1-CG 4.06Å
345	N	85.4	Confident	72.6	Confident	94 Å²	94	72.6 Å²	72.6	50%	0.503	41%	0.405	S	S	.	.			trans	-98.6	113.6	168.4	-94.7	-14.9	0	0	0	108.3	Y287 H288	Y287-N345 VanDerWaalsContact CA-OD1 3.24Å; Y287-N345 WeakPolarHBondContact CA-OD1 3.2Å; Y287-N345 HydrophobicContact CD1-CB 4.27Å; H288-N345 PolarHBondContact N-OD1 3.47Å; H288-N345 PolarHBondContact ND1-OD1 3.17Å; H288-N345 VanDerWaalsContact ND1-OD1 3.12Å; H288-N345 CarbonylContact O-C 3.58Å; H288-N345 VanDerWaalsContact O-CA 3.31Å; H288-N345 WeakPolarHBondContact O-CA 3.19Å
346	R	80.9	Confident	72.9	Confident	161 Å²	161	70.7 Å²	70.7	61%	0.608	40%	0.399	S	S	*	.			trans	-128.3	122.8	169.8	-87.4	-178.5	175	178.5	-1.3	108.1	H288 Q289 P290 V344	H288-R346 PolarHBondContact O-N 3.34Å; Q289-R346 HydrophobicContact CB-CB 3.99Å; P290-R346 WeakPolarHBondContact CD-O 3.34Å; V344-R346 HydrophobicContact CG1-CG 4.06Å
347	E	73.3	Confident	73.4	Confident	176 Å²	176	70.4 Å²	70.4	82%	0.822	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-65.9	137.3	173	-70.2	-176.8	162.6	0	0	110.1
348	A	62.5	Low	74.1	Confident	36 Å²	36	70.4 Å²	70.4	30%	0.298	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-69.3	137	170	0	0	0	0	0	108.8	P290	P290-A348 HydrophobicContact CG-CB 3.98Å
349	P	60.6	Low	75.1	Confident	84 Å²	84	68 Å²	68	55%	0.545	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-53.1	139.2	173.2	-21.9	30.2	0	0	0	110.1	G351 S352	P349-G351 PolarHBondContact O-N 3.06Å; P349-S352 WeakPolarHBondContact O-CB 3.34Å; P349-S352 PolarHBondContact O-N 2.98Å
350	P	57.5	Low	75.7	Confident	140 Å²	140	66.5 Å²	66.5	91%	0.909	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	129.3	178.4	19.7	-30.8	0	0	0	110.5
351	G	55.7	Low	76.3	Confident	78 Å²	78	60.9 Å²	60.9	80%	0.804	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	0.2	-176.4	0	0	0	0	0	115.8	P349 N353	P349-G351 PolarHBondContact O-N 3.06Å; G351-N353 PolarHBondContact O-N 3.42Å
352	S	60.1	Low	76.5	Confident	41 Å²	41	61 Å²	61	29%	0.287	37%	0.368	S	S	.	.			trans	-73.8	124.9	173.8	109.1	0	0	0	0	110.9	P349 S354	P349-S352 WeakPolarHBondContact O-CB 3.34Å; P349-S352 PolarHBondContact O-N 2.98Å; S352-S354 PolarHBondContact O-N 3.43Å; S352-S354 PolarHBondContact OG-OG 2.91Å
353	N	66.2	Low	76.6	Confident	107 Å²	107	59.6 Å²	59.6	57%	0.572	36%	0.359	S	S	*	.			trans	-91.6	26.8	170.3	-66.8	-24.9	0	0	0	112	L330 G351	L330-N353 HydrophobicContact CD1-CB 3.68Å; L330-N353 HydrophobicContact CD2-CB 4.06Å; L330-N353 HydrophobicContact CG-CB 3.82Å; G351-N353 PolarHBondContact O-N 3.42Å
354	S	73	Confident	75.9	Confident	34 Å²	34	65 Å²	65	24%	0.238	38%	0.375	C	S	.	.			trans	-68.5	145.4	-177.2	60	0	0	0	0	110.4	S352 I356	S352-S354 PolarHBondContact O-N 3.43Å; S352-S354 PolarHBondContact OG-OG 2.91Å; S354-I356 PolarHBondContact O-N 3.35Å
355	T	82	Confident	75.5	Confident	21 Å²	21	65.8 Å²	65.8	13%	0.129	38%	0.378	C	S	.	.			trans	-59.9	137.5	166.7	-54.6	0	0	0	0	108.7	S291 L295 F326 F327	S291-T355 WeakPolarHBondContact CB-O 3.41Å; S291-T355 PolarHBondContact N-O 2.91Å; L295-T355 HydrophobicContact CD1-CG2 4.38Å; L295-T355 HydrophobicContact CD2-CG2 3.8Å; L295-T355 HydrophobicContact CG-CG2 4.21Å; F326-T355 HydrophobicContact CB-CG2 3.89Å; F326-T355 HydrophobicContact CD1-CG2 4.41Å; F327-T355 CarbonylContact O-C 3.48Å; F327-T355 WeakPolarHBondContact O-CA 3.34Å; F327-T355 WeakPolarHBondContact O-CG2 3.44Å
356	I	86.8	Confident	75	Confident	21 Å²	21	64.3 Å²	64.3	11%	0.108	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	-178	-53.4	178.4	0	0	0	108.9	H288 M309 F326 F327 S354 L358	H288-I356 HydrophobicContact CB-CG2 3.93Å; M309-I356 HydrophobicContact CE-CD1 4.45Å; M309-I356 HydrophobicContact CG-CD1 4.02Å; M309-I356 HydrophobicContact SD-CB 4.35Å; M309-I356 HydrophobicContact SD-CD1 3.44Å; M309-I356 WeakPolarHBondContact SD-CD1 3.34Å; M309-I356 HydrophobicContact SD-CG1 4.46Å; M309-I356 HydrophobicContact SD-CG2 3.78Å; F326-I356 CarbonylContact C-O 3.59Å; F326-I356 WeakPolarHBondContact CA-O 3.37Å; F327-I356 PolarHBondContact N-O 3.24Å; F327-I356 PolarHBondContact O-N 3.48Å; S354-I356 PolarHBondContact O-N 3.35Å; I356-L358 HydrophobicContact CG2-CD2 4.04Å
357	V	88.4	Confident	74.7	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130	168.3	153.9	0	0	0	0	109.1	H288 Q289 A325 F326 F341	H288-V357 VanDerWaalsContact CA-O 3.27Å; H288-V357 WeakPolarHBondContact CA-O 3.41Å; Q289-V357 HydrophobicContact CG-CB 4.14Å; Q289-V357 HydrophobicContact CG-CG1 4.16Å; Q289-V357 PolarHBondContact N-O 3.12Å; Q289-V357 PolarHBondContact O-N 3.13Å; A325-V357 CarbonylContact O-C 3.55Å; F326-V357 HydrophobicContact CD1-CG2 3.36Å; F326-V357 HydrophobicContact CE1-CG2 3.16Å; F326-V357 HydrophobicContact CG-CG2 4.31Å; F326-V357 HydrophobicContact CZ-CG2 3.98Å; F341-V357 HydrophobicContact CB-CG1 4.31Å; F341-V357 HydrophobicContact CG-CG1 4.27Å
358	L	89.6	Confident	74.8	Confident	0 Å²	0	52 Å²	52	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.6	172.4	-51.7	178	0	0	0	108.5	F286 Y287 H288 M309 C312 A313 T324 A325 F327 I356 I361	F286-L358 HydrophobicContact CD2-CD2 3.95Å; F286-L358 HydrophobicContact CE2-CD2 3.95Å; Y287-L358 CarbonylContact O-C 3.43Å; Y287-L358 VanDerWaalsContact O-CA 3.3Å; Y287-L358 WeakPolarHBondContact O-CA 3.33Å; H288-L358 HydrophobicContact CB-CD2 3.78Å; M309-L358 HydrophobicContact CB-CD1 4.42Å; M309-L358 HydrophobicContact CB-CD2 4.05Å; M309-L358 HydrophobicContact CG-CD2 4.22Å; M309-L358 VanDerWaalsContact O-CD1 3.22Å; M309-L358 WeakPolarHBondContact O-CD1 3.28Å; M309-L358 HydrophobicContact SD-CD2 4.3Å; C312-L358 HydrophobicContact CB-CD1 3.71Å; A313-L358 HydrophobicContact CB-CD1 4.09Å; T324-L358 CarbonylContact C-O 3.56Å; T324-L358 WeakPolarHBondContact CA-O 3.49Å; T324-L358 WeakPolarHBondContact CB-O 3.46Å; T324-L358 WeakPolarHBondContact CG2-O 3.48Å; A325-L358 HydrophobicContact CB-CB 4.4Å; A325-L358 HydrophobicContact CB-CD1 4.44Å; A325-L358 PolarHBondContact N-O 2.96Å; A325-L358 PolarHBondContact O-N 2.59Å; F327-L358 HydrophobicContact CB-CD1 4.32Å; I356-L358 HydrophobicContact CG2-CD2 4.04Å; L358-I361 HydrophobicContact CB-CD1 3.99Å; L358-I361 HydrophobicContact CB-CG1 4.5Å
359	S	87.3	Confident	75.5	Confident	0 Å²	0	53 Å²	53	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	165.1	-176.7	70.7	0	0	0	0	113	Y287 P342 I361	Y287-S359 PolarHBondContact N-O 2.87Å; Y287-S359 PolarHBondContact O-N 3.4Å; P342-S359 PolarHBondContact O-OG 2.05Å; S359-I361 PolarHBondContact O-N 3.02Å; S359-I361 VanDerWaalsContact O-N 3.17Å
360	C	84.6	Confident	76.5	Confident	38 Å²	38	50.9 Å²	50.9	26%	0.257	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.3	43.4	178.8	-55.3	0	0	0	0	113	Y287 C343	Y287-C360 HydrophobicContact CD2-CB 3.71Å; Y287-C360 HydrophobicContact CE2-CB 4.22Å; C343-C360 WeakPolarHBondContact CA-SG 3.47Å; C343-C360 HydrophobicContact CB-CB 3.71Å; C343-C360 WeakPolarHBondContact CB-SG 3.41Å; C343-C360 WeakPolarHBondContact SG-CB 3.07Å; C343-C360 CovalentContact SG-SG 2.01Å; C343-C360 PolarHBondContact SG-SG 2.96Å
361	I	86.7	Confident	77.9	Confident	28 Å²	28	44.6 Å²	44.6	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125.1	-177.3	-60.8	160.7	0	0	0	108.8	F284 T285 F286 A313 C316 H317 A325 L358 S359	F284-I361 HydrophobicContact CE2-CG2 3.64Å; F284-I361 HydrophobicContact CZ-CG2 3.47Å; F284-I361 VanDerWaalsContact CZ-CG2 3.47Å; T285-I361 WeakPolarHBondContact O-CA 3.05Å; F286-I361 HydrophobicContact CB-CB 4.36Å; F286-I361 HydrophobicContact CB-CG1 3.73Å; A313-I361 HydrophobicContact CB-CD1 4.44Å; A313-I361 HydrophobicContact CB-CG1 4.38Å; A313-I361 HydrophobicContact CB-CG2 4.26Å; A313-I361 WeakPolarHBondContact O-CG2 3.4Å; C316-I361 HydrophobicContact CB-CD1 3.73Å; C316-I361 WeakPolarHBondContact SG-CD1 3.26Å; H317-I361 HydrophobicContact CB-CG2 3.88Å; A325-I361 HydrophobicContact CB-CD1 4.49Å; L358-I361 HydrophobicContact CB-CD1 3.99Å; L358-I361 HydrophobicContact CB-CG1 4.5Å; S359-I361 PolarHBondContact O-N 3.02Å; S359-I361 VanDerWaalsContact O-N 3.17Å
362	G	80.7	Confident	79.6	Confident	16 Å²	16	42 Å²	42	17%	0.165	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	163.1	179.1	0	0	0	0	0	114.6	T285	T285-G362 PolarHBondContact N-O 2.84Å; T285-G362 PolarHBondContact O-N 3.44Å; T285-G362 PolarHBondContact OG1-O 3.03Å
363	C	78.8	Confident	81.2	Confident	57 Å²	57	42.1 Å²	42.1	39%	0.385	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.8	164.4	-56	0	0	0	0	109.5	V279 C280 N283 H317	V279-C363 PolarHBondContact O-SG 2.92Å; C280-C363 WeakPolarHBondContact CA-SG 3.25Å; C280-C363 HydrophobicContact CB-CB 3.59Å; C280-C363 WeakPolarHBondContact CB-SG 3.2Å; C280-C363 WeakPolarHBondContact SG-CA 3.3Å; C280-C363 WeakPolarHBondContact SG-CB 3.31Å; C280-C363 CovalentContact SG-SG 2.01Å; C280-C363 PolarHBondContact SG-SG 3.01Å; N283-C363 CarbonylContact O-C 3.54Å; N283-C363 WeakPolarHBondContact O-CA 3.27Å; H317-C363 PolarHBondContact NE2-SG 2.6Å; H317-C363 VanDerWaalsContact NE2-SG 3.37Å
364	K	70.8	Confident	82.6	Confident	182 Å²	182	36.2 Å²	36.2	79%	0.791	20%	0.202	S	C	*	.			trans	-95.5	0	167.5	-77.2	-169.9	-178.8	179.7	0	111.6	T282 N283 T285	T282-K364 PolarHBondContact OG1-O 2.81Å; T282-K364 VanDerWaalsContact OG1-O 3.06Å; N283-K364 HydrophobicContact CB-CB 4.37Å; N283-K364 PolarHBondContact O-N 2.85Å; T285-K364 HydrophobicContact CG2-CD 4.01Å; T285-K364 HydrophobicContact CG2-CG 4.22Å

Retrieved 364 of 364 residues in 101.8 ms (Link to these results)

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