A0A044UDX3_ONCVO Loading...

Methyltransferase domain-containing protein

Mitochondrial ribosome (mitoribosome) assembly factor. Binds at the interface of the head and body domains of the mitochondrial small ribosomal subunit (mt-SSU), occluding the mRNA channel and preventing compaction of the head domain towards the body. Probable inactive methyltransferase: retains the characteristic folding and ability to bind S-adenosyl-L-methionine, but it probably lost its methyltransferase activity.

AlphaFold DB , UniProt , Accession A0A044UDX3, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 538 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	38.9	Very low	218 Å²	218	112 Å²	112	100%	1.074	54%	0.541	S	S	*	.				0	-21.9	0	-65.3	-172.7	-138.8	0	0	116.8	K3	M1-K3 PolarHBondContact O-N 3.08Å
2	K	34.9	Very low	38.7	Very low	203 Å²	203	111.2 Å²	111.2	88%	0.883	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-6.3	-172.3	-77.4	-175.2	177.2	178.7	0	118.4
3	K	40.6	Very low	38.4	Very low	182 Å²	182	118.9 Å²	118.9	79%	0.791	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	4	-177	-77.3	-172	177.6	-179.7	0	115.6	M1	M1-K3 PolarHBondContact O-N 3.08Å
4	I	41.7	Very low	38.1	Very low	94 Å²	94	113.6 Å²	113.6	48%	0.482	55%	0.545	S	S	.	.	S	Bend	trans	-92.7	-14.8	179.8	-61.1	175	0	0	0	111.7	F8	I4-F8 HydrophobicContact CG2-CD2 3.44Å; I4-F8 VanDerWaalsContact CG2-CD2 3.44Å; I4-F8 HydrophobicContact CG2-CE2 3.55Å; I4-F8 HydrophobicContact CG2-CG 4.27Å; I4-F8 HydrophobicContact CG2-CZ 4.46Å; I4-F8 VanDerWaalsContact O-CD2 3.28Å; I4-F8 WeakPolarHBondContact O-CD2 3.38Å
5	F	37.8	Very low	37.8	Very low	126 Å²	126	110.4 Å²	110.4	55%	0.553	54%	0.54	S	S	*	.	H	α-helix	trans	-66.2	-33.4	-172.9	-97.4	-92.7	0	0	0	118.3	L7 F8 Q9	F5-L7 PolarHBondContact O-N 3.34Å; F5-F8 PolarHBondContact O-N 3.12Å; F5-Q9 HydrophobicContact CD1-CG 3.71Å; F5-Q9 HydrophobicContact CE1-CG 4.22Å; F5-Q9 WeakPolarHBondContact O-CB 3.47Å; F5-Q9 PolarHBondContact O-N 3.34Å
6	P	37.4	Very low	37.8	Very low	97 Å²	97	109.4 Å²	109.4	63%	0.63	56%	0.555	S	S	*	*	H	α-helix	trans	-68.9	-39.8	-170.2	-19.6	30.5	0	0	0	114.1	T10	P6-T10 PolarHBondContact O-OG1 2.75Å
7	L	41.2	Very low	37.7	Very low	85 Å²	85	107.3 Å²	107.3	45%	0.445	57%	0.567	S	S	.	*	H	α-helix	trans	-76.3	-27.8	179.1	-137.5	102.2	0	0	0	111.8	F5 T10 L22 I47	F5-L7 PolarHBondContact O-N 3.34Å; L7-T10 VanDerWaalsContact C-OG1 3.32Å; L7-T10 PolarHBondContact O-OG1 2.99Å; L7-L22 HydrophobicContact CD1-CD2 4.32Å; L7-L22 HydrophobicContact CG-CD2 4.26Å; L7-I47 HydrophobicContact CD2-CD1 4.34Å
8	F	38.7	Very low	37.4	Very low	63 Å²	63	107.8 Å²	107.8	28%	0.276	57%	0.565	S	S	.	*	H	α-helix	trans	-89.8	-36.7	-175.3	-84.1	-92.2	0	0	0	113.6	I4 F5 T10 L11 S513 D514	I4-F8 HydrophobicContact CG2-CD2 3.44Å; I4-F8 VanDerWaalsContact CG2-CD2 3.44Å; I4-F8 HydrophobicContact CG2-CE2 3.55Å; I4-F8 HydrophobicContact CG2-CG 4.27Å; I4-F8 HydrophobicContact CG2-CZ 4.46Å; I4-F8 VanDerWaalsContact O-CD2 3.28Å; I4-F8 WeakPolarHBondContact O-CD2 3.38Å; F5-F8 PolarHBondContact O-N 3.12Å; F8-T10 PolarHBondContact O-N 2.86Å; F8-L11 HydrophobicContact CD1-CD1 3.82Å; F8-L11 HydrophobicContact CE1-CD1 4.11Å; F8-L11 HydrophobicContact CG-CD1 4.25Å; F8-L11 WeakPolarHBondContact O-CB 3.49Å; F8-L11 PolarHBondContact O-N 3.45Å; F8-S513 WeakPolarHBondContact CE1-O 3.39Å; F8-D514 WeakPolarHBondContact CD1-OD1 3.06Å; F8-D514 WeakPolarHBondContact CE1-OD1 3.49Å
9	Q	42	Very low	37.1	Very low	124 Å²	124	114.8 Å²	114.8	58%	0.579	58%	0.584	S	S	*	*	H	α-helix	trans	-63.5	-25.9	170.5	-90.8	176.6	-16.5	0	0	112.5	F5	F5-Q9 HydrophobicContact CD1-CG 3.71Å; F5-Q9 HydrophobicContact CE1-CG 4.22Å; F5-Q9 WeakPolarHBondContact O-CB 3.47Å; F5-Q9 PolarHBondContact O-N 3.34Å
10	T	40.5	Very low	37.1	Very low	34 Å²	34	110.3 Å²	110.3	21%	0.209	56%	0.562	C	S	.	*	H	α-helix	trans	-72.9	-33.6	172	22	0	0	0	0	112.1	P6 L7 F8 C12 R13 F14 L22	P6-T10 PolarHBondContact O-OG1 2.75Å; L7-T10 VanDerWaalsContact C-OG1 3.32Å; L7-T10 PolarHBondContact O-OG1 2.99Å; F8-T10 PolarHBondContact O-N 2.86Å; T10-C12 VanDerWaalsContact C-N 3.35Å; T10-C12 PolarHBondContact O-N 3.29Å; T10-R13 PolarHBondContact O-N 3.39Å; T10-F14 HydrophobicContact CG2-CE2 4.29Å; T10-F14 WeakPolarHBondContact O-CD2 3.27Å; T10-F14 WeakPolarHBondContact O-CE2 3.27Å; T10-L22 HydrophobicContact CG2-CD1 4.31Å; T10-L22 HydrophobicContact CG2-CG 4.25Å
11	L	38.6	Very low	36.9	Very low	6 Å²	6	110.5 Å²	110.5	3%	0.031	57%	0.573	C	S	.	*	H	α-helix	trans	-61.8	-36.2	178.5	-79.3	165.7	0	0	0	113.9	F8 R13 I47	F8-L11 HydrophobicContact CD1-CD1 3.82Å; F8-L11 HydrophobicContact CE1-CD1 4.11Å; F8-L11 HydrophobicContact CG-CD1 4.25Å; F8-L11 WeakPolarHBondContact O-CB 3.49Å; F8-L11 PolarHBondContact O-N 3.45Å; L11-R13 PolarHBondContact O-N 3.34Å; L11-I47 HydrophobicContact CD1-CD1 4.48Å; L11-I47 HydrophobicContact CD2-CD1 4.04Å; L11-I47 HydrophobicContact CD2-CG1 3.88Å
12	C	36.8	Very low	37.1	Very low	102 Å²	102	102.7 Å²	102.7	69%	0.689	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.9	-179.3	-78	0	0	0	0	113.9	T10	T10-C12 VanDerWaalsContact C-N 3.35Å; T10-C12 PolarHBondContact O-N 3.29Å
13	R	34.7	Very low	37.3	Very low	212 Å²	212	96 Å²	96	80%	0.8	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-2	-172.9	-71.9	-171.3	177.4	179.8	0.3	115.7	T10 L11	T10-R13 PolarHBondContact O-N 3.39Å; L11-R13 PolarHBondContact O-N 3.34Å
14	F	33.6	Very low	37.6	Very low	44 Å²	44	89.4 Å²	89.4	19%	0.193	50%	0.498	C	S	.	.			trans	-116.8	124	-172.1	-66.7	-68.7	0	0	0	114.6	T10 Q18 T20	T10-F14 HydrophobicContact CG2-CE2 4.29Å; T10-F14 WeakPolarHBondContact O-CD2 3.27Å; T10-F14 WeakPolarHBondContact O-CE2 3.27Å; F14-Q18 HydrophobicContact CD1-CB 4.39Å; F14-T20 HydrophobicContact CB-CG2 3.74Å; F14-T20 HydrophobicContact CD1-CG2 3.29Å; F14-T20 HydrophobicContact CD2-CG2 3.44Å; F14-T20 VanDerWaalsContact CD2-CG2 3.44Å; F14-T20 HydrophobicContact CE1-CG2 3.61Å; F14-T20 HydrophobicContact CE2-CG2 3.79Å; F14-T20 HydrophobicContact CG-CG2 3.19Å; F14-T20 HydrophobicContact CZ-CG2 3.86Å
15	S	34.9	Very low	37.7	Very low	66 Å²	66	88 Å²	88	46%	0.462	49%	0.494	S	S	.	.			trans	-78	147.2	166.9	59.6	0	0	0	0	110.8	G17 Q18	S15-G17 PolarHBondContact O-N 3.48Å; S15-G17 VanDerWaalsContact O-N 3.12Å; S15-Q18 PolarHBondContact O-N 3.1Å; S15-Q18 VanDerWaalsContact OG-CD 3.27Å; S15-Q18 WeakPolarHBondContact OG-CG 3.14Å; S15-Q18 PolarHBondContact OG-OE1 3.24Å
16	A	37.4	Very low	37.9	Very low	94 Å²	94	93.3 Å²	93.3	78%	0.777	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	119.4	174.5	0	0	0	0	0	111.3
17	G	36	Very low	38.4	Very low	74 Å²	74	90.7 Å²	90.7	76%	0.763	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	-4.9	175.1	0	0	0	0	0	116.7	S15	S15-G17 PolarHBondContact O-N 3.48Å; S15-G17 VanDerWaalsContact O-N 3.12Å
18	Q	31.9	Very low	38.9	Very low	116 Å²	116	92.2 Å²	92.2	54%	0.542	51%	0.506	S	S	.	.			trans	-81.1	131.1	171.6	-75.8	-176	-20.7	0	0	111.3	F14 S15 T20	F14-Q18 HydrophobicContact CD1-CB 4.39Å; S15-Q18 PolarHBondContact O-N 3.1Å; S15-Q18 VanDerWaalsContact OG-CD 3.27Å; S15-Q18 WeakPolarHBondContact OG-CG 3.14Å; S15-Q18 PolarHBondContact OG-OE1 3.24Å; Q18-T20 VanDerWaalsContact O-CG2 3.27Å; Q18-T20 WeakPolarHBondContact O-CG2 3.38Å; Q18-T20 PolarHBondContact O-N 3.17Å; Q18-T20 VanDerWaalsContact O-N 3.17Å
19	R	32.9	Very low	39.8	Very low	241 Å²	241	94.3 Å²	94.3	91%	0.909	52%	0.521	S	S	*	.			trans	-61.1	112.9	170.4	-75.5	179.2	173.4	171.6	-1.4	108.3
20	T	36.9	Very low	41.1	Very low	25 Å²	25	93.9 Å²	93.9	15%	0.153	52%	0.522	C	S	.	.			trans	-97	149.4	-178.4	69.7	0	0	0	0	110.5	F14 Q18 L22 G23	F14-T20 HydrophobicContact CB-CG2 3.74Å; F14-T20 HydrophobicContact CD1-CG2 3.29Å; F14-T20 HydrophobicContact CD2-CG2 3.44Å; F14-T20 VanDerWaalsContact CD2-CG2 3.44Å; F14-T20 HydrophobicContact CE1-CG2 3.61Å; F14-T20 HydrophobicContact CE2-CG2 3.79Å; F14-T20 HydrophobicContact CG-CG2 3.19Å; F14-T20 HydrophobicContact CZ-CG2 3.86Å; Q18-T20 VanDerWaalsContact O-CG2 3.27Å; Q18-T20 WeakPolarHBondContact O-CG2 3.38Å; Q18-T20 PolarHBondContact O-N 3.17Å; Q18-T20 VanDerWaalsContact O-N 3.17Å; T20-L22 PolarHBondContact O-N 3.49Å; T20-L22 VanDerWaalsContact O-N 3.1Å; T20-L22 PolarHBondContact OG1-N 2.84Å; T20-G23 PolarHBondContact O-N 3.09Å
21	S	32.9	Very low	43.1	Very low	114 Å²	114	92.5 Å²	92.5	80%	0.797	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-5.2	168.2	48.1	0	0	0	0	113.6	G23	S21-G23 PolarHBondContact O-N 3.03Å
22	L	37.7	Very low	45.4	Very low	54 Å²	54	97.9 Å²	97.9	28%	0.283	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	2.5	170.8	-81.9	167.6	0	0	0	113.5	L7 T10 T20 L24	L7-L22 HydrophobicContact CD1-CD2 4.32Å; L7-L22 HydrophobicContact CG-CD2 4.26Å; T10-L22 HydrophobicContact CG2-CD1 4.31Å; T10-L22 HydrophobicContact CG2-CG 4.25Å; T20-L22 PolarHBondContact O-N 3.49Å; T20-L22 VanDerWaalsContact O-N 3.1Å; T20-L22 PolarHBondContact OG1-N 2.84Å; L22-L24 HydrophobicContact CB-CD1 4.38Å; L22-L24 HydrophobicContact CB-CG 4.32Å; L22-L24 PolarHBondContact O-N 3.31Å; L22-L24 VanDerWaalsContact O-N 3.09Å
23	G	38.8	Very low	47.9	Very low	62 Å²	62	93.4 Å²	93.4	64%	0.639	51%	0.505	S	S	*	.			trans	67.1	14.9	171.8	0	0	0	0	0	114.7	T20 S21 T25	T20-G23 PolarHBondContact O-N 3.09Å; S21-G23 PolarHBondContact O-N 3.03Å; G23-T25 PolarHBondContact O-N 2.94Å
24	L	46.2	Very low	50.5	Low	45 Å²	45	85.5 Å²	85.5	24%	0.236	48%	0.479	C	S	.	.			trans	-75.9	65.2	176.1	-60.2	170.2	0	0	0	110.4	L22 D34	L22-L24 HydrophobicContact CB-CD1 4.38Å; L22-L24 HydrophobicContact CB-CG 4.32Å; L22-L24 PolarHBondContact O-N 3.31Å; L22-L24 VanDerWaalsContact O-N 3.09Å; L24-D34 HydrophobicContact CD2-CB 3.55Å
25	T	45.2	Very low	53.2	Low	65 Å²	65	83.8 Å²	83.8	40%	0.399	47%	0.472	S	S	.	.			trans	165.2	83.8	146.6	33.9	0	0	0	0	110.8	G23 M488	G23-T25 PolarHBondContact O-N 2.94Å; T25-M488 HydrophobicContact CG2-CE 3.92Å; T25-M488 HydrophobicContact CG2-CG 4.16Å
26	R	40.8	Very low	56	Low	236 Å²	236	83.4 Å²	83.4	89%	0.891	46%	0.464	S	S	*	.			trans	-141.5	88.4	131.7	-81.2	-169.6	177	178.2	-0.7	106.6
27	S	49.2	Very low	58.6	Low	43 Å²	43	79 Å²	79	30%	0.301	43%	0.428	S	S	.	.			trans	-88.8	125.2	147.2	81.4	0	0	0	0	105.7	D29 R32	S27-D29 PolarHBondContact O-N 3.37Å; S27-R32 WeakPolarHBondContact CB-O 3.28Å; S27-R32 PolarHBondContact OG-O 2.94Å
28	V	51	Low	61.4	Low	116 Å²	116	79.4 Å²	79.4	70%	0.703	41%	0.411	S	S	*	.			trans	-78.1	81.1	175.4	175.3	0	0	0	0	104.9	D30	V28-D30 PolarHBondContact O-N 3.38Å
29	D	57.4	Low	64.2	Low	108 Å²	108	74.8 Å²	74.8	58%	0.578	39%	0.39	S	S	*	.	S	Bend	trans	48.7	20.9	177.5	-113	-9.3	0	0	0	116.7	S27 G31 K490	S27-D29 PolarHBondContact O-N 3.37Å; D29-G31 PolarHBondContact O-N 3.05Å; D29-K490 PolarHBondContact OD1-N 2.98Å
30	D	69.8	Low	66.8	Low	114 Å²	114	66.2 Å²	66.2	61%	0.61	36%	0.364	S	S	*	.	S	Bend	trans	-71.6	6.1	-174.9	-61.5	-50	0	0	0	114.4	V28 R32	V28-D30 PolarHBondContact O-N 3.38Å; D30-R32 PolarHBondContact O-N 3.29Å
31	G	81.5	Confident	69.1	Low	6 Å²	6	70.6 Å²	70.6	6%	0.062	38%	0.383	C	S	.	.	S	Bend	trans	65	19.2	-174	0	0	0	0	0	113.7	D29 D52	D29-G31 PolarHBondContact O-N 3.05Å; G31-D52 WeakPolarHBondContact O-CB 3.23Å; G31-D52 PolarHBondContact O-N 3.26Å
32	R	87.5	Confident	71.7	Confident	119 Å²	119	68.6 Å²	68.6	45%	0.449	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.1	173.5	-62	-174.7	-167.1	-174.9	5	111.4	S27 D30 L50 K51	S27-R32 WeakPolarHBondContact CB-O 3.28Å; S27-R32 PolarHBondContact OG-O 2.94Å; D30-R32 PolarHBondContact O-N 3.29Å; R32-L50 CarbonylContact C-O 3.5Å; R32-L50 WeakPolarHBondContact CA-O 3.31Å; R32-K51 HydrophobicContact CG-CB 4.42Å; R32-K51 HydrophobicContact CG-CG 4.18Å
33	A	88.8	Confident	74.1	Confident	8 Å²	8	69.9 Å²	69.9	7%	0.066	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	128.2	173.3	0	0	0	0	0	110.7	L50 M488 I491	A33-L50 HydrophobicContact CB-CB 4.48Å; A33-L50 PolarHBondContact N-O 3.16Å; A33-L50 WeakPolarHBondContact O-CB 3.39Å; A33-L50 WeakPolarHBondContact O-CG 3.42Å; A33-L50 PolarHBondContact O-N 3.21Å; A33-M488 HydrophobicContact CB-CB 4.14Å; A33-M488 HydrophobicContact CB-CG 4.09Å; A33-M488 HydrophobicContact CB-SD 4.13Å; A33-I491 HydrophobicContact CB-CB 4.5Å; A33-I491 HydrophobicContact CB-CG1 4.18Å
34	D	90.1	Very high	76.5	Confident	45 Å²	45	68.1 Å²	68.1	24%	0.241	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.1	173.6	-62.4	-18.2	0	0	0	109.5	L24 I47 I48 Q49	L24-D34 HydrophobicContact CD2-CB 3.55Å; D34-I47 HydrophobicContact CB-CG2 4.49Å; D34-I48 CarbonylContact C-O 3.46Å; D34-I48 WeakPolarHBondContact CA-O 3.23Å; D34-Q49 VanDerWaalsContact OD1-CB 3.31Å; D34-Q49 WeakPolarHBondContact OD1-CB 3.49Å; D34-Q49 VanDerWaalsContact OD1-CG 3.23Å; D34-Q49 WeakPolarHBondContact OD1-CG 3.46Å; D34-Q49 PolarHBondContact OD1-NE2 3.12Å
35	V	91.3	Very high	78.6	Confident	8 Å²	8	69 Å²	69	5%	0.048	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.7	-179.9	-56.9	0	0	0	0	111.2	I48 L50 F482 M488	V35-I48 HydrophobicContact CG2-CD1 3.66Å; V35-I48 HydrophobicContact CG2-CG1 3.35Å; V35-I48 PolarHBondContact N-O 2.8Å; V35-I48 WeakPolarHBondContact O-CG1 3.49Å; V35-I48 PolarHBondContact O-N 3.33Å; V35-L50 HydrophobicContact CG1-CD1 4.25Å; V35-L50 HydrophobicContact CG2-CD1 4.08Å; V35-L50 HydrophobicContact CG2-CD2 4.4Å; V35-L50 HydrophobicContact CG2-CG 4.15Å; V35-F482 HydrophobicContact CG2-CB 3.93Å; V35-F482 HydrophobicContact CG2-CD2 3.82Å; V35-F482 HydrophobicContact CG2-CG 4.06Å; V35-M488 HydrophobicContact CG1-CE 3.37Å; V35-M488 HydrophobicContact CG1-SD 3.67Å
36	I	92.1	Very high	80.7	Confident	59 Å²	59	66 Å²	66	30%	0.303	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126	169.8	-58.1	172.6	0	0	0	107.7	S46	I36-S46 CarbonylContact C-O 3.51Å; I36-S46 WeakPolarHBondContact CA-O 3.29Å
37	S	93.8	Very high	83	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	160.7	170.4	72.6	0	0	0	0	111.3	K45 S46 I48 Q480 R481	S37-K45 CarbonylContact O-C 3.58Å; S37-K45 VanDerWaalsContact O-CA 3.3Å; S37-K45 WeakPolarHBondContact O-CA 3.38Å; S37-S46 PolarHBondContact N-O 3.01Å; S37-S46 PolarHBondContact O-N 3.28Å; S37-S46 PolarHBondContact OG-O 3.21Å; S37-I48 WeakPolarHBondContact OG-CG2 3.44Å; S37-Q480 VanDerWaalsContact CB-OE1 3.28Å; S37-Q480 PolarHBondContact OG-OE1 3Å; S37-R481 CarbonylContact C-O 3.6Å; S37-R481 VanDerWaalsContact CA-O 3.31Å; S37-R481 WeakPolarHBondContact CA-O 3.43Å
38	M	93.1	Very high	85	Confident	81 Å²	81	53.5 Å²	53.5	40%	0.399	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.2	173.4	-179.9	-177.2	-73.2	0	0	108.4	V40 S44 R481	M38-V40 PolarHBondContact O-N 3.18Å; M38-S44 WeakPolarHBondContact CA-O 3.37Å; M38-R481 PolarHBondContact N-O 2.87Å; M38-R481 PolarHBondContact O-N 2.94Å
39	N	90.9	Very high	86.9	Confident	19 Å²	19	49.6 Å²	49.6	10%	0.102	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	128.7	170.4	-174.5	-54.4	0	0	0	109	E41 T42 S43 S44 C477 I479	N39-E41 VanDerWaalsContact C-N 3.31Å; N39-E41 PolarHBondContact O-N 3.46Å; N39-E41 WeakPolarHBondContact OD1-CA 3.14Å; N39-E41 WeakPolarHBondContact OD1-CB 3.39Å; N39-E41 PolarHBondContact OD1-N 2.98Å; N39-T42 VanDerWaalsContact CB-OG1 3.31Å; N39-T42 WeakPolarHBondContact CB-OG1 3.42Å; N39-T42 VanDerWaalsContact CG-OG1 3.29Å; N39-T42 PolarHBondContact OD1-N 2.9Å; N39-S43 WeakPolarHBondContact O-CA 3.33Å; N39-S43 PolarHBondContact O-N 3.47Å; N39-S44 PolarHBondContact N-O 3.14Å; N39-C477 PolarHBondContact ND2-O 3.23Å; N39-I479 WeakPolarHBondContact CA-O 3.2Å
40	V	88.2	Confident	88.5	Confident	62 Å²	62	44.5 Å²	44.5	38%	0.376	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.9	-175.4	174.8	0	0	0	0	112.6	M38 T471 I479 R481	M38-V40 PolarHBondContact O-N 3.18Å; V40-T471 HydrophobicContact CG2-CG2 4.22Å; V40-I479 HydrophobicContact CB-CB 4.19Å; V40-I479 HydrophobicContact CB-CG2 4.07Å; V40-I479 HydrophobicContact CG2-CB 4.28Å; V40-I479 HydrophobicContact CG2-CG2 3.69Å; V40-I479 PolarHBondContact N-O 3.06Å; V40-R481 HydrophobicContact CG2-CB 4.1Å
41	E	84.9	Confident	89.4	Confident	117 Å²	117	42.7 Å²	42.7	55%	0.547	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-53.6	-178.4	-177.9	173.2	-162.6	0	0	111.2	N39 P404	N39-E41 VanDerWaalsContact C-N 3.31Å; N39-E41 PolarHBondContact O-N 3.46Å; N39-E41 WeakPolarHBondContact OD1-CA 3.14Å; N39-E41 WeakPolarHBondContact OD1-CB 3.39Å; N39-E41 PolarHBondContact OD1-N 2.98Å; E41-P404 WeakPolarHBondContact OE2-CB 3.24Å; E41-P404 WeakPolarHBondContact OE2-CG 3.35Å
42	T	87.2	Confident	89.7	Confident	72 Å²	72	43.8 Å²	43.8	44%	0.442	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-11	-174.6	68.9	0	0	0	0	113.8	N39 S44	N39-T42 VanDerWaalsContact CB-OG1 3.31Å; N39-T42 WeakPolarHBondContact CB-OG1 3.42Å; N39-T42 VanDerWaalsContact CG-OG1 3.29Å; N39-T42 PolarHBondContact OD1-N 2.9Å; T42-S44 WeakPolarHBondContact CB-OG 3.42Å; T42-S44 PolarHBondContact O-N 2.84Å; T42-S44 WeakPolarHBondContact OG1-CB 3.22Å; T42-S44 PolarHBondContact OG1-N 3.38Å; T42-S44 PolarHBondContact OG1-OG 3.29Å
43	S	88.2	Confident	89.4	Confident	80 Å²	80	40.7 Å²	40.7	56%	0.559	22%	0.221	S	C	*	.			trans	58.9	6.2	-170.6	-56.8	0	0	0	0	115.2	N39	N39-S43 WeakPolarHBondContact O-CA 3.33Å; N39-S43 PolarHBondContact O-N 3.47Å
44	S	88.9	Confident	88.7	Confident	25 Å²	25	43.2 Å²	43.2	18%	0.175	25%	0.247	C	C	.	.			trans	-63.8	138.3	176.4	-49.4	0	0	0	0	110.5	M38 N39 T42	M38-S44 WeakPolarHBondContact CA-O 3.37Å; N39-S44 PolarHBondContact N-O 3.14Å; T42-S44 WeakPolarHBondContact CB-OG 3.42Å; T42-S44 PolarHBondContact O-N 2.84Å; T42-S44 WeakPolarHBondContact OG1-CB 3.22Å; T42-S44 PolarHBondContact OG1-N 3.38Å; T42-S44 PolarHBondContact OG1-OG 3.29Å
45	K	90	Very high	87.6	Confident	63 Å²	63	43.4 Å²	43.4	27%	0.274	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	146.7	175.1	-62.9	177.8	-177.1	174.7	0	110.3	S37 S513 D514	S37-K45 CarbonylContact O-C 3.58Å; S37-K45 VanDerWaalsContact O-CA 3.3Å; S37-K45 WeakPolarHBondContact O-CA 3.38Å; K45-S513 WeakPolarHBondContact O-CA 3.23Å; K45-D514 PolarHBondContact O-N 3.28Å
46	S	89.5	Confident	86.2	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.028	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151	175.9	-42	0	0	0	0	110.5	I36 S37 G512 S513	I36-S46 CarbonylContact C-O 3.51Å; I36-S46 WeakPolarHBondContact CA-O 3.29Å; S37-S46 PolarHBondContact N-O 3.01Å; S37-S46 PolarHBondContact O-N 3.28Å; S37-S46 PolarHBondContact OG-O 3.21Å; S46-G512 CarbonylContact C-O 3.57Å; S46-G512 VanDerWaalsContact CA-O 3.22Å; S46-G512 WeakPolarHBondContact CA-O 3.36Å; S46-G512 WeakPolarHBondContact CB-O 3.48Å; S46-S513 VanDerWaalsContact OG-CB 3.26Å; S46-S513 WeakPolarHBondContact OG-CB 3.32Å; S46-S513 PolarHBondContact OG-OG 3.38Å
47	I	89.8	Confident	84.6	Confident	16 Å²	16	56.9 Å²	56.9	8%	0.082	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.4	165.5	-57.7	176.8	0	0	0	106.6	L7 L11 D34 M511 G512	L7-I47 HydrophobicContact CD2-CD1 4.34Å; L11-I47 HydrophobicContact CD1-CD1 4.48Å; L11-I47 HydrophobicContact CD2-CD1 4.04Å; L11-I47 HydrophobicContact CD2-CG1 3.88Å; D34-I47 HydrophobicContact CB-CG2 4.49Å; I47-M511 HydrophobicContact CG2-CB 4.35Å; I47-M511 PolarHBondContact O-N 2.61Å; I47-G512 PolarHBondContact N-O 3.32Å; I47-G512 PolarHBondContact O-N 3Å
48	I	90.6	Very high	83	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.3	175.3	64	172	0	0	0	109.9	D34 V35 S37 L50 F482 V508 K509 V510	D34-I48 CarbonylContact C-O 3.46Å; D34-I48 WeakPolarHBondContact CA-O 3.23Å; V35-I48 HydrophobicContact CG2-CD1 3.66Å; V35-I48 HydrophobicContact CG2-CG1 3.35Å; V35-I48 PolarHBondContact N-O 2.8Å; V35-I48 WeakPolarHBondContact O-CG1 3.49Å; V35-I48 PolarHBondContact O-N 3.33Å; S37-I48 WeakPolarHBondContact OG-CG2 3.44Å; I48-L50 HydrophobicContact CD1-CD2 3.87Å; I48-L50 HydrophobicContact CG1-CD2 4.2Å; I48-F482 HydrophobicContact CD1-CB 4.16Å; I48-F482 HydrophobicContact CD1-CD1 3.34Å; I48-F482 HydrophobicContact CD1-CD2 4.07Å; I48-F482 HydrophobicContact CD1-CE1 3.56Å; I48-F482 HydrophobicContact CD1-CE2 4.24Å; I48-F482 HydrophobicContact CD1-CG 3.61Å; I48-F482 HydrophobicContact CD1-CZ 4Å; I48-V508 HydrophobicContact CB-CG1 4.23Å; I48-V508 HydrophobicContact CD1-CG1 3.94Å; I48-V508 HydrophobicContact CG2-CG1 4.46Å; I48-K509 CarbonylContact C-O 3.47Å; I48-K509 VanDerWaalsContact CA-O 3.28Å; I48-K509 WeakPolarHBondContact CA-O 3.5Å; I48-V510 HydrophobicContact CG2-CG2 4Å
49	Q	90.6	Very high	81.6	Confident	34 Å²	34	65.9 Å²	65.9	16%	0.159	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.3	170.4	179.3	163.6	101.6	0	0	109.1	D34 K509 M511	D34-Q49 VanDerWaalsContact OD1-CB 3.31Å; D34-Q49 WeakPolarHBondContact OD1-CB 3.49Å; D34-Q49 VanDerWaalsContact OD1-CG 3.23Å; D34-Q49 WeakPolarHBondContact OD1-CG 3.46Å; D34-Q49 PolarHBondContact OD1-NE2 3.12Å; Q49-K509 PolarHBondContact N-O 2.89Å; Q49-K509 PolarHBondContact O-N 3.07Å; Q49-M511 HydrophobicContact CB-CG 3.66Å; Q49-M511 HydrophobicContact CB-SD 3.89Å
50	L	91.1	Very high	80.5	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.3	172.8	-50	-174.6	0	0	0	108.1	R32 A33 V35 I48 F482 I484 I491 F506 E507 V508	R32-L50 CarbonylContact C-O 3.5Å; R32-L50 WeakPolarHBondContact CA-O 3.31Å; A33-L50 HydrophobicContact CB-CB 4.48Å; A33-L50 PolarHBondContact N-O 3.16Å; A33-L50 WeakPolarHBondContact O-CB 3.39Å; A33-L50 WeakPolarHBondContact O-CG 3.42Å; A33-L50 PolarHBondContact O-N 3.21Å; V35-L50 HydrophobicContact CG1-CD1 4.25Å; V35-L50 HydrophobicContact CG2-CD1 4.08Å; V35-L50 HydrophobicContact CG2-CD2 4.4Å; V35-L50 HydrophobicContact CG2-CG 4.15Å; I48-L50 HydrophobicContact CD1-CD2 3.87Å; I48-L50 HydrophobicContact CG1-CD2 4.2Å; L50-F482 HydrophobicContact CD1-CD2 4.35Å; L50-F482 HydrophobicContact CD1-CE2 3.89Å; L50-F482 HydrophobicContact CD2-CE2 4.01Å; L50-F482 HydrophobicContact CD2-CZ 4.15Å; L50-I484 HydrophobicContact CD1-CD1 3.73Å; L50-I484 HydrophobicContact CD1-CG1 3.78Å; L50-I491 HydrophobicContact CB-CG2 4.33Å; L50-I491 HydrophobicContact CD1-CG2 3.94Å; L50-F506 HydrophobicContact CB-CD2 4.05Å; L50-F506 HydrophobicContact CB-CE2 4.42Å; L50-F506 HydrophobicContact CD1-CE2 4.23Å; L50-F506 HydrophobicContact CD2-CD2 3.99Å; L50-F506 HydrophobicContact CD2-CE2 3.72Å; L50-F506 HydrophobicContact CG-CD2 4.45Å; L50-F506 HydrophobicContact CG-CE2 4.35Å; L50-E507 WeakPolarHBondContact CA-O 3.19Å; L50-V508 HydrophobicContact CD2-CG1 4.46Å; L50-V508 HydrophobicContact CD2-CG2 4.06Å
51	K	89.7	Confident	79.5	Confident	76 Å²	76	71.6 Å²	71.6	33%	0.33	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.8	-179.1	179.1	-177.4	171.8	-163.8	0	110.8	R32 V53 F506 E507	R32-K51 HydrophobicContact CG-CB 4.42Å; R32-K51 HydrophobicContact CG-CG 4.18Å; K51-V53 PolarHBondContact O-N 2.79Å; K51-F506 CarbonylContact O-C 3.58Å; K51-F506 VanDerWaalsContact O-CA 3.23Å; K51-F506 WeakPolarHBondContact O-CA 3.36Å; K51-F506 VanDerWaalsContact O-CB 3.22Å; K51-F506 WeakPolarHBondContact O-CB 3.45Å; K51-E507 HydrophobicContact CB-CB 4.43Å; K51-E507 PolarHBondContact N-O 2.98Å; K51-E507 PolarHBondContact O-N 3.36Å
52	D	87.3	Confident	78.7	Confident	29 Å²	29	67.6 Å²	67.6	16%	0.155	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	114.8	170.7	-179.2	12.2	0	0	0	109.4	G31 G54 K490 I491 L494	G31-D52 WeakPolarHBondContact O-CB 3.23Å; G31-D52 PolarHBondContact O-N 3.26Å; D52-G54 PolarHBondContact OD1-N 3.22Å; D52-K490 WeakPolarHBondContact OD2-CD 3.42Å; D52-K490 WeakPolarHBondContact OD2-CE 3.46Å; D52-K490 IonicContact OD2-NZ 2.66Å; D52-K490 PolarHBondContact OD2-NZ 3.17Å; D52-I491 HydrophobicContact CB-CD1 4.07Å; D52-L494 HydrophobicContact CB-CD1 4.04Å
53	V	81.4	Confident	77.9	Confident	55 Å²	55	68.2 Å²	68.2	33%	0.333	35%	0.354	S	S	.	.			trans	-95	6.1	179.3	-66.8	0	0	0	0	112.5	K51 A55 E507	K51-V53 PolarHBondContact O-N 2.79Å; V53-A55 HydrophobicContact CG2-CB 4.19Å; V53-A55 PolarHBondContact O-N 3.49Å; V53-E507 HydrophobicContact CG1-CB 3.72Å
54	G	73.2	Confident	77.3	Confident	60 Å²	60	64.4 Å²	64.4	62%	0.619	33%	0.328	S	S	*	.			trans	66.6	24.7	-179.7	0	0	0	0	0	113.5	D52 K56	D52-G54 PolarHBondContact OD1-N 3.22Å; G54-K56 PolarHBondContact O-N 2.82Å
55	A	68.2	Low	77.3	Confident	50 Å²	50	66.4 Å²	66.4	41%	0.413	34%	0.339	S	S	.	.			trans	-52.3	133.5	-178.2	0	0	0	0	0	111.2	V53 K57	V53-A55 HydrophobicContact CG2-CB 4.19Å; V53-A55 PolarHBondContact O-N 3.49Å; A55-K57 PolarHBondContact O-N 3.46Å
56	K	60.7	Low	77.5	Confident	197 Å²	197	63.7 Å²	63.7	86%	0.857	33%	0.327	S	S	*	.			trans	-54.7	117	175.1	-78	-176.4	-179.6	175.5	0	108.2	G54 V58	G54-K56 PolarHBondContact O-N 2.82Å; K56-V58 PolarHBondContact O-N 2.79Å
57	K	58.5	Low	77.7	Confident	153 Å²	153	64.5 Å²	64.5	67%	0.665	33%	0.332	S	S	*	.			trans	-67.8	82.3	170.5	-72.5	179.4	-178.4	169.7	0	108.5	A55 R59	A55-K57 PolarHBondContact O-N 3.46Å; K57-R59 PolarHBondContact O-N 3.3Å
58	V	61.1	Low	77.9	Confident	62 Å²	62	70.2 Å²	70.2	38%	0.376	36%	0.359	S	S	.	.			trans	-66.9	96	164	-175.4	0	0	0	0	105.7	K56 L60 K195	K56-V58 PolarHBondContact O-N 2.79Å; V58-L60 VanDerWaalsContact C-N 3.26Å; V58-L60 HydrophobicContact CG1-CD2 3.79Å; V58-L60 HydrophobicContact CG1-CG 4.29Å; V58-L60 PolarHBondContact O-N 3.06Å; V58-K195 HydrophobicContact CG1-CB 4.23Å
59	R	62.8	Low	78.1	Confident	209 Å²	209	74.2 Å²	74.2	79%	0.789	38%	0.376	S	S	*	.			trans	-68.5	92.2	172.5	-80.3	-171.6	179.7	-178.5	1.3	107.3	K57 K61	K57-R59 PolarHBondContact O-N 3.3Å; R59-K61 VanDerWaalsContact C-N 3.29Å; R59-K61 PolarHBondContact O-N 3.35Å
60	L	68.6	Low	78.4	Confident	31 Å²	31	72.6 Å²	72.6	16%	0.162	37%	0.369	C	S	.	.			trans	-66.7	91	169.2	-63.1	176.7	0	0	0	108.5	V58 Q192 K195 R502	V58-L60 VanDerWaalsContact C-N 3.26Å; V58-L60 HydrophobicContact CG1-CD2 3.79Å; V58-L60 HydrophobicContact CG1-CG 4.29Å; V58-L60 PolarHBondContact O-N 3.06Å; L60-Q192 HydrophobicContact CD1-CB 4.07Å; L60-Q192 HydrophobicContact CD2-CB 3.82Å; L60-Q192 HydrophobicContact CD2-CG 4Å; L60-Q192 HydrophobicContact CG-CB 4.5Å; L60-K195 HydrophobicContact CD2-CB 4.14Å; L60-K195 HydrophobicContact CD2-CD 3.73Å; L60-K195 HydrophobicContact CD2-CG 4.33Å; L60-R502 VanDerWaalsContact CD1-CZ 3.44Å
61	K	66.7	Low	78.6	Confident	170 Å²	170	73.7 Å²	73.7	74%	0.739	38%	0.375	S	S	*	.			trans	-83.1	123.2	166.7	-71.8	-174.1	179.1	-179	0	107.4	R59	R59-K61 VanDerWaalsContact C-N 3.29Å; R59-K61 PolarHBondContact O-N 3.35Å
62	Y	69.2	Low	78.9	Confident	34 Å²	34	72 Å²	72	13%	0.133	37%	0.371	C	S	.	.			trans	-121.1	125.8	168.2	-178.3	-120.6	0	0	0	107.6	G64 Y184 A185 H188 Q419	Y62-G64 VanDerWaalsContact CZ-CA 3.42Å; Y62-G64 WeakPolarHBondContact OH-CA 3.46Å; Y62-Y184 AromaticContact CE2-CE1 3.95Å; Y62-Y184 HydrophobicContact CE2-CE1 3.95Å; Y62-Y184 WeakPolarHBondContact OH-CD1 3.46Å; Y62-Y184 WeakPolarHBondContact OH-CE1 3.46Å; Y62-A185 HydrophobicContact CE1-CB 3.84Å; Y62-A185 WeakPolarHBondContact OH-CA 3.49Å; Y62-A185 WeakPolarHBondContact OH-CB 3.37Å; Y62-H188 AromaticContact CD2-CD2 3.18Å; Y62-H188 WeakPolarHBondContact CD2-CD2 3.37Å; Y62-H188 AromaticContact CD2-NE2 3.77Å; Y62-H188 HydrophobicContact CE2-CB 4.02Å; Y62-H188 AromaticContact CE2-CD2 3.36Å; Y62-H188 WeakPolarHBondContact CE2-CD2 3.44Å; Y62-H188 AromaticContact CE2-CG 3.79Å; Y62-Q419 WeakPolarHBondContact CE1-O 3.47Å
63	S	69.1	Low	79.4	Confident	84 Å²	84	70.7 Å²	70.7	59%	0.587	36%	0.364	S	S	*	.			trans	-83.8	-17.7	-179.3	54.4	0	0	0	0	112.6	V65	S63-V65 PolarHBondContact O-N 3.09Å; S63-V65 PolarHBondContact OG-N 3.07Å
64	G	76.1	Confident	80.1	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.01	35%	0.348	C	S	.	.			trans	73.4	9.9	-172.7	0	0	0	0	0	113.8	Y62 Q419 W420 N421	Y62-G64 VanDerWaalsContact CZ-CA 3.42Å; Y62-G64 WeakPolarHBondContact OH-CA 3.46Å; G64-Q419 WeakPolarHBondContact CA-O 3.17Å; G64-W420 WeakPolarHBondContact O-CA 3.37Å; G64-W420 WeakPolarHBondContact O-CB 3.45Å; G64-N421 PolarHBondContact O-N 2.95Å
65	V	89.9	Confident	81.2	Confident	66 Å²	66	69.5 Å²	69.5	40%	0.4	34%	0.335	S	S	.	.			trans	-105.1	124.6	-171.2	-177.9	0	0	0	0	109.5	S63 Y184	S63-V65 PolarHBondContact O-N 3.09Å; S63-V65 PolarHBondContact OG-N 3.07Å; V65-Y184 VanDerWaalsContact O-CE1 3.26Å; V65-Y184 WeakPolarHBondContact O-CE1 3.24Å
66	L	93.5	Very high	82.5	Confident	7 Å²	7	71.2 Å²	71.2	4%	0.037	34%	0.337	C	S	.	.			trans	-64.6	137.9	171.6	-172.3	72.1	0	0	0	109.6	A70 V71 I180 V181 Y184 L423	L66-A70 HydrophobicContact CD1-CB 4.2Å; L66-A70 HydrophobicContact CD2-CB 3.92Å; L66-A70 HydrophobicContact CG-CB 3.82Å; L66-V71 HydrophobicContact CB-CG2 4.09Å; L66-V71 HydrophobicContact CD2-CG2 3.95Å; L66-V71 HydrophobicContact CG-CG2 4.24Å; L66-I180 HydrophobicContact CD1-CG1 4.35Å; L66-I180 HydrophobicContact CD2-CD1 4.21Å; L66-I180 HydrophobicContact CD2-CG1 4.29Å; L66-I180 HydrophobicContact CD2-CG2 4.26Å; L66-V181 HydrophobicContact CD2-CG2 4.3Å; L66-Y184 HydrophobicContact CD1-CD1 3.98Å; L66-Y184 HydrophobicContact CD1-CD2 3.97Å; L66-Y184 HydrophobicContact CD1-CG 3.61Å; L66-L423 HydrophobicContact CD2-CD2 4.22Å
67	P	93.9	Very high	84.2	Confident	20 Å²	20	62 Å²	62	13%	0.13	30%	0.298	C	S	.	.			trans	-55.2	141.9	-179.3	-27.2	36	0	0	0	112.4	K69 A70 V71 Y184 E220	P67-K69 VanDerWaalsContact C-N 3.27Å; P67-K69 PolarHBondContact O-N 2.78Å; P67-A70 HydrophobicContact CB-CB 4.47Å; P67-A70 WeakPolarHBondContact O-CA 3.21Å; P67-A70 VanDerWaalsContact O-CB 3.28Å; P67-A70 WeakPolarHBondContact O-CB 3.49Å; P67-A70 PolarHBondContact O-N 2.87Å; P67-V71 PolarHBondContact O-N 2.82Å; P67-V71 VanDerWaalsContact O-N 3.08Å; P67-Y184 HydrophobicContact CG-CE2 3.93Å; P67-E220 HydrophobicContact CG-CB 4.42Å
68	Q	93.9	Very high	85.9	Confident	137 Å²	137	54.8 Å²	54.8	64%	0.64	27%	0.267	S	S	*	.	H	α-helix	trans	-58.6	-38.2	-173.8	-173.1	63.2	15.9	0	0	112.7	A70 V71 V72	Q68-A70 VanDerWaalsContact C-N 3.28Å; Q68-A70 PolarHBondContact O-N 2.92Å; Q68-V71 PolarHBondContact O-N 3.38Å; Q68-V72 HydrophobicContact CG-CG2 4.46Å; Q68-V72 WeakPolarHBondContact O-CG2 3.28Å; Q68-V72 PolarHBondContact O-N 2.77Å
69	K	95.2	Very high	87.5	Confident	84 Å²	84	57 Å²	57	37%	0.365	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-39.2	175.1	-72.1	-166.3	172.5	-164	0	112	P67 G73 W216 G248 V258	P67-K69 VanDerWaalsContact C-N 3.27Å; P67-K69 PolarHBondContact O-N 2.78Å; K69-G73 PolarHBondContact O-N 2.86Å; K69-W216 HydrophobicContact CB-CH2 4.02Å; K69-W216 HydrophobicContact CB-CZ3 4.06Å; K69-G248 VanDerWaalsContact O-CA 3.32Å; K69-G248 WeakPolarHBondContact O-CA 3.43Å; K69-V258 HydrophobicContact CB-CG1 4.24Å; K69-V258 HydrophobicContact CD-CB 4.49Å; K69-V258 HydrophobicContact CD-CG1 3.83Å
70	A	96.1	Very high	88.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.6	-40.3	176.8	0	0	0	0	0	112	L66 P67 Q68 G73 L74 W216	L66-A70 HydrophobicContact CD1-CB 4.2Å; L66-A70 HydrophobicContact CD2-CB 3.92Å; L66-A70 HydrophobicContact CG-CB 3.82Å; P67-A70 HydrophobicContact CB-CB 4.47Å; P67-A70 WeakPolarHBondContact O-CA 3.21Å; P67-A70 VanDerWaalsContact O-CB 3.28Å; P67-A70 WeakPolarHBondContact O-CB 3.49Å; P67-A70 PolarHBondContact O-N 2.87Å; Q68-A70 VanDerWaalsContact C-N 3.28Å; Q68-A70 PolarHBondContact O-N 2.92Å; A70-G73 PolarHBondContact O-N 3.11Å; A70-L74 WeakPolarHBondContact O-CB 3.34Å; A70-L74 PolarHBondContact O-N 2.83Å; A70-W216 VanDerWaalsContact CA-CZ2 3.48Å; A70-W216 HydrophobicContact CB-CD2 3.43Å; A70-W216 VanDerWaalsContact CB-CD2 3.43Å; A70-W216 HydrophobicContact CB-CE3 3.82Å; A70-W216 HydrophobicContact CB-CG 3.86Å; A70-W216 HydrophobicContact CB-CH2 3.96Å; A70-W216 HydrophobicContact CB-CZ2 3.61Å; A70-W216 HydrophobicContact CB-CZ3 4.07Å
71	V	96	Very high	90.2	Very high	22 Å²	22	49.5 Å²	49.5	13%	0.133	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-50.9	175.5	176.7	0	0	0	0	110.2	L66 P67 Q68 L74 W75 L423	L66-V71 HydrophobicContact CB-CG2 4.09Å; L66-V71 HydrophobicContact CD2-CG2 3.95Å; L66-V71 HydrophobicContact CG-CG2 4.24Å; P67-V71 PolarHBondContact O-N 2.82Å; P67-V71 VanDerWaalsContact O-N 3.08Å; Q68-V71 PolarHBondContact O-N 3.38Å; V71-L74 WeakPolarHBondContact O-CB 3.27Å; V71-L74 PolarHBondContact O-N 2.85Å; V71-W75 PolarHBondContact O-N 2.85Å; V71-L423 HydrophobicContact CG1-CD1 4.13Å; V71-L423 HydrophobicContact CG2-CD2 4.41Å
72	V	96	Very high	91.5	Very high	42 Å²	42	46.3 Å²	46.3	26%	0.255	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-44.1	179.1	175.3	0	0	0	0	111.3	Q68 L74 W75 N76 N249	Q68-V72 HydrophobicContact CG-CG2 4.46Å; Q68-V72 WeakPolarHBondContact O-CG2 3.28Å; Q68-V72 PolarHBondContact O-N 2.77Å; V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 3.14Å; V72-W75 PolarHBondContact O-N 2.78Å; V72-W75 VanDerWaalsContact O-N 3.17Å; V72-N76 VanDerWaalsContact O-CG 3.31Å; V72-N76 PolarHBondContact O-N 2.94Å; V72-N76 PolarHBondContact O-ND2 2.8Å; V72-N249 HydrophobicContact CG1-CB 3.81Å
73	G	96.8	Very high	92.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-41.3	175.6	0	0	0	0	0	112.8	K69 A70 N76 A77 V245 G248	K69-G73 PolarHBondContact O-N 2.86Å; A70-G73 PolarHBondContact O-N 3.11Å; G73-N76 PolarHBondContact O-N 3.48Å; G73-A77 WeakPolarHBondContact O-CB 3.44Å; G73-A77 PolarHBondContact O-N 3.28Å; G73-V245 WeakPolarHBondContact CA-O 3.32Å; G73-G248 WeakPolarHBondContact CA-O 3.37Å
74	L	96.6	Very high	93.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-45.4	174.1	-178	66.1	0	0	0	111.9	A70 V71 V72 N76 A77 L78 A176 L177 I180 F241 V245 L423	A70-L74 WeakPolarHBondContact O-CB 3.34Å; A70-L74 PolarHBondContact O-N 2.83Å; V71-L74 WeakPolarHBondContact O-CB 3.27Å; V71-L74 PolarHBondContact O-N 2.85Å; V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 3.14Å; L74-N76 PolarHBondContact O-N 3.35Å; L74-A77 PolarHBondContact O-N 3.21Å; L74-L78 HydrophobicContact CD1-CD1 4.23Å; L74-L78 HydrophobicContact CD1-CG 4.27Å; L74-L78 HydrophobicContact CD2-CD1 4.46Å; L74-L78 HydrophobicContact CG-CD1 3.86Å; L74-L78 HydrophobicContact CG-CG 4.34Å; L74-L78 WeakPolarHBondContact O-CB 3.37Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.23Å; L74-A176 HydrophobicContact CD1-CB 4.03Å; L74-L177 HydrophobicContact CD2-CD2 4.23Å; L74-I180 HydrophobicContact CD2-CG2 4Å; L74-F241 HydrophobicContact CD1-CE1 3.93Å; L74-F241 HydrophobicContact CD1-CZ 4.4Å; L74-V245 HydrophobicContact CB-CG1 4.43Å; L74-V245 HydrophobicContact CD1-CG2 4.11Å; L74-L423 HydrophobicContact CD2-CD2 3.56Å
75	W	95.5	Very high	94.6	Very high	90 Å²	90	51.2 Å²	51.2	34%	0.341	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-41.8	177	-75.6	113	0	0	0	112.8	V71 V72 L78 T79 R424 A425	V71-W75 PolarHBondContact O-N 2.85Å; V72-W75 PolarHBondContact O-N 2.78Å; V72-W75 VanDerWaalsContact O-N 3.17Å; W75-L78 HydrophobicContact CE3-CD1 4.49Å; W75-L78 PolarHBondContact O-N 2.82Å; W75-T79 WeakPolarHBondContact O-CB 3.43Å; W75-T79 PolarHBondContact O-N 2.88Å; W75-T79 PolarHBondContact O-OG1 3.17Å; W75-R424 WeakPolarHBondContact CH2-O 3.41Å; W75-R424 WeakPolarHBondContact CZ2-O 3.32Å; W75-A425 VanDerWaalsContact CH2-CA 3.44Å; W75-A425 HydrophobicContact CH2-CB 4.38Å; W75-A425 HydrophobicContact CZ3-CB 4.26Å
76	N	95.4	Very high	94.8	Very high	86 Å²	86	54.6 Å²	54.6	46%	0.46	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-45.7	176	-69.9	-18	0	0	0	111.1	V72 G73 L74 T79 S80 G248	V72-N76 VanDerWaalsContact O-CG 3.31Å; V72-N76 PolarHBondContact O-N 2.94Å; V72-N76 PolarHBondContact O-ND2 2.8Å; G73-N76 PolarHBondContact O-N 3.48Å; L74-N76 PolarHBondContact O-N 3.35Å; N76-T79 PolarHBondContact O-N 3.03Å; N76-S80 PolarHBondContact O-N 3.31Å; N76-G248 PolarHBondContact ND2-O 2.89Å
77	A	96.4	Very high	94.9	Very high	3 Å²	3	58.4 Å²	58.4	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-41.6	176.7	0	0	0	0	0	112.3	G73 L74 T79 S80 F241 D244 V245	G73-A77 WeakPolarHBondContact O-CB 3.44Å; G73-A77 PolarHBondContact O-N 3.28Å; L74-A77 PolarHBondContact O-N 3.21Å; A77-T79 VanDerWaalsContact C-N 3.34Å; A77-T79 PolarHBondContact O-N 2.89Å; A77-S80 PolarHBondContact O-N 3.02Å; A77-S80 PolarHBondContact O-OG 3.2Å; A77-F241 HydrophobicContact CB-CD2 4.43Å; A77-F241 HydrophobicContact CB-CE1 4.01Å; A77-F241 HydrophobicContact CB-CE2 3.81Å; A77-F241 HydrophobicContact CB-CZ 3.57Å; A77-D244 HydrophobicContact CB-CB 3.91Å; A77-V245 HydrophobicContact CB-CG2 4.07Å
78	L	96	Very high	95.1	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-38.6	176.4	-72.3	168.3	0	0	0	112.7	L74 W75 S80 C81 L88 A173 L177 F241 A425	L74-L78 HydrophobicContact CD1-CD1 4.23Å; L74-L78 HydrophobicContact CD1-CG 4.27Å; L74-L78 HydrophobicContact CD2-CD1 4.46Å; L74-L78 HydrophobicContact CG-CD1 3.86Å; L74-L78 HydrophobicContact CG-CG 4.34Å; L74-L78 WeakPolarHBondContact O-CB 3.37Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.23Å; W75-L78 HydrophobicContact CE3-CD1 4.49Å; W75-L78 PolarHBondContact O-N 2.82Å; L78-S80 PolarHBondContact O-N 3.37Å; L78-C81 VanDerWaalsContact O-CB 3.3Å; L78-C81 WeakPolarHBondContact O-CB 3.17Å; L78-C81 PolarHBondContact O-N 2.84Å; L78-L88 HydrophobicContact CD2-CD1 4.05Å; L78-A173 HydrophobicContact CD2-CB 3.95Å; L78-L177 HydrophobicContact CD1-CD1 4.19Å; L78-L177 HydrophobicContact CD1-CD2 3.76Å; L78-L177 HydrophobicContact CD1-CG 4.06Å; L78-L177 HydrophobicContact CD2-CD1 3.63Å; L78-L177 HydrophobicContact CD2-CG 3.92Å; L78-F241 HydrophobicContact CD2-CZ 4.13Å; L78-F241 HydrophobicContact CG-CZ 4.34Å; L78-A425 HydrophobicContact CD1-CB 4.13Å
79	T	93.2	Very high	95.2	Very high	107 Å²	107	51.1 Å²	51.1	66%	0.656	27%	0.271	S	S	*	.	H	α-helix	trans	-66.8	-25.6	-180	-54.9	0	0	0	0	112.2	W75 N76 A77 C81	W75-T79 WeakPolarHBondContact O-CB 3.43Å; W75-T79 PolarHBondContact O-N 2.88Å; W75-T79 PolarHBondContact O-OG1 3.17Å; N76-T79 PolarHBondContact O-N 3.03Å; A77-T79 VanDerWaalsContact C-N 3.34Å; A77-T79 PolarHBondContact O-N 2.89Å; T79-C81 VanDerWaalsContact C-N 3.27Å; T79-C81 PolarHBondContact O-N 2.91Å
80	S	92.8	Very high	95.2	Very high	68 Å²	68	50 Å²	50	48%	0.476	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.9	173.9	73.3	0	0	0	0	114.5	N76 A77 L78 R169	N76-S80 PolarHBondContact O-N 3.31Å; A77-S80 PolarHBondContact O-N 3.02Å; A77-S80 PolarHBondContact O-OG 3.2Å; L78-S80 PolarHBondContact O-N 3.37Å; S80-R169 PolarHBondContact OG-NE 3.47Å; S80-R169 PolarHBondContact OG-NH2 3.44Å
81	C	95.6	Very high	95.3	Very high	15 Å²	15	52.3 Å²	52.3	10%	0.101	29%	0.285	C	S	.	.	S	Bend	trans	-78.2	150.6	176.9	-63.6	0	0	0	0	111.1	L78 T79 R83 L88	L78-C81 VanDerWaalsContact O-CB 3.3Å; L78-C81 WeakPolarHBondContact O-CB 3.17Å; L78-C81 PolarHBondContact O-N 2.84Å; T79-C81 VanDerWaalsContact C-N 3.27Å; T79-C81 PolarHBondContact O-N 2.91Å; C81-R83 VanDerWaalsContact C-N 3.33Å; C81-R83 PolarHBondContact O-N 2.56Å; C81-L88 HydrophobicContact CB-CD1 3.94Å
82	S	94.6	Very high	95.3	Very high	104 Å²	104	51.3 Å²	51.3	73%	0.727	28%	0.279	S	S	*	.	S	Bend	trans	-70.9	-30	178.4	65.8	0	0	0	0	112.9	E170	S82-E170 PolarHBondContact N-OE1 2.98Å; S82-E170 PolarHBondContact OG-OE1 3.12Å
83	R	93.8	Very high	95.3	Very high	93 Å²	93	51.8 Å²	51.8	35%	0.351	28%	0.28	S	S	.	.	S	Bend	trans	-86	146.5	-178.8	-67.7	-175.5	-169.7	170.3	9.4	112.2	C81 L88 E91 E170	C81-R83 VanDerWaalsContact C-N 3.33Å; C81-R83 PolarHBondContact O-N 2.56Å; R83-L88 HydrophobicContact CB-CD2 4.04Å; R83-L88 HydrophobicContact CB-CG 4.12Å; R83-E91 IonicContact CZ-OE1 2.65Å; R83-E91 IonicContact NH1-OE1 3.13Å; R83-E91 PolarHBondContact NH1-OE1 3.07Å; R83-E91 IonicContact NH1-OE2 3.58Å; R83-E91 PolarHBondContact NH1-OE2 3.1Å; R83-E91 VanDerWaalsContact NH1-OE2 3.09Å; R83-E170 HydrophobicContact CB-CG 4.16Å; R83-E170 HydrophobicContact CG-CG 3.86Å
84	N	93.4	Very high	95.2	Very high	89 Å²	89	57 Å²	57	48%	0.476	30%	0.304	S	S	.	.			trans	-60.4	137.2	176	-172.7	-54.4	0	0	0	111.7	K86 I87 L88	N84-K86 PolarHBondContact O-N 2.88Å; N84-K86 WeakPolarHBondContact OD1-CB 3.45Å; N84-K86 PolarHBondContact OD1-N 2.71Å; N84-I87 HydrophobicContact CB-CD1 4.27Å; N84-I87 HydrophobicContact CB-CG1 4.36Å; N84-I87 WeakPolarHBondContact O-CB 3.29Å; N84-I87 PolarHBondContact O-N 2.84Å; N84-L88 PolarHBondContact O-N 2.98Å; N84-L88 VanDerWaalsContact O-N 3.16Å
85	P	92.9	Very high	95.1	Very high	39 Å²	39	58 Å²	58	25%	0.253	31%	0.309	S	S	.	.	H	α-helix	trans	-49.3	-33.1	175.5	-31.5	36.5	0	0	0	115.5	L88 Q89 A425	P85-L88 PolarHBondContact O-N 3.08Å; P85-Q89 WeakPolarHBondContact O-CB 3.47Å; P85-Q89 PolarHBondContact O-N 2.86Å; P85-A425 HydrophobicContact CB-CB 3.99Å
86	K	93.2	Very high	95.1	Very high	137 Å²	137	56 Å²	56	60%	0.596	30%	0.303	S	S	*	.	H	α-helix	trans	-65.8	-37.7	176.4	-66.5	-177.2	178.1	174.4	0	112.9	N84 S90 D426	N84-K86 PolarHBondContact O-N 2.88Å; N84-K86 WeakPolarHBondContact OD1-CB 3.45Å; N84-K86 PolarHBondContact OD1-N 2.71Å; K86-S90 PolarHBondContact O-N 3.01Å; K86-S90 VanDerWaalsContact O-N 3.12Å; K86-D426 HydrophobicContact CB-CB 4.4Å; K86-D426 HydrophobicContact CG-CB 3.95Å
87	I	96	Very high	94.9	Very high	87 Å²	87	59 Å²	59	45%	0.446	31%	0.312	S	S	.	.	H	α-helix	trans	-70.8	-47.4	177.5	-62.2	174.1	0	0	0	109	N84 Q89 S90 E91	N84-I87 HydrophobicContact CB-CD1 4.27Å; N84-I87 HydrophobicContact CB-CG1 4.36Å; N84-I87 WeakPolarHBondContact O-CB 3.29Å; N84-I87 PolarHBondContact O-N 2.84Å; I87-Q89 VanDerWaalsContact C-N 3.28Å; I87-Q89 PolarHBondContact O-N 3.04Å; I87-S90 WeakPolarHBondContact O-CB 3.38Å; I87-S90 PolarHBondContact O-N 3.01Å; I87-S90 VanDerWaalsContact O-N 3.09Å; I87-E91 WeakPolarHBondContact CG2-OE1 3.3Å; I87-E91 PolarHBondContact O-N 3.42Å
88	L	97	Very high	94.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-56.7	-42.1	175.8	-64.7	173.6	0	0	0	111.7	L78 C81 R83 N84 P85 E91 A92 E170 A173 V174 L177	L78-L88 HydrophobicContact CD2-CD1 4.05Å; C81-L88 HydrophobicContact CB-CD1 3.94Å; R83-L88 HydrophobicContact CB-CD2 4.04Å; R83-L88 HydrophobicContact CB-CG 4.12Å; N84-L88 PolarHBondContact O-N 2.98Å; N84-L88 VanDerWaalsContact O-N 3.16Å; P85-L88 PolarHBondContact O-N 3.08Å; L88-E91 PolarHBondContact O-N 3.38Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 3.34Å; L88-E170 HydrophobicContact CD2-CB 3.95Å; L88-E170 HydrophobicContact CD2-CG 4.11Å; L88-A173 HydrophobicContact CD1-CB 4.44Å; L88-A173 HydrophobicContact CD2-CB 4.45Å; L88-V174 HydrophobicContact CB-CG2 4.45Å; L88-V174 HydrophobicContact CD2-CG2 3.85Å; L88-L177 HydrophobicContact CB-CD1 3.97Å
89	Q	96	Very high	94.3	Very high	5 Å²	5	64.8 Å²	64.8	2%	0.023	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-42.3	175.6	-174.2	62.1	54.8	0	0	112.7	P85 I87 E91 A92 D93 R424 A425 D426	P85-Q89 WeakPolarHBondContact O-CB 3.47Å; P85-Q89 PolarHBondContact O-N 2.86Å; I87-Q89 VanDerWaalsContact C-N 3.28Å; I87-Q89 PolarHBondContact O-N 3.04Å; Q89-E91 VanDerWaalsContact C-N 3.34Å; Q89-A92 WeakPolarHBondContact O-CB 3.37Å; Q89-A92 PolarHBondContact O-N 2.86Å; Q89-D93 PolarHBondContact NE2-OD1 2.66Å; Q89-D93 VanDerWaalsContact O-CG 3.27Å; Q89-D93 PolarHBondContact O-N 3.22Å; Q89-R424 VanDerWaalsContact CG-NH2 3.33Å; Q89-R424 VanDerWaalsContact OE1-CA 3.31Å; Q89-A425 HydrophobicContact CB-CB 4.26Å; Q89-D426 HydrophobicContact CB-CB 4.13Å; Q89-D426 HydrophobicContact CG-CB 4.15Å
90	S	96.6	Very high	94	Very high	59 Å²	59	65 Å²	65	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.9	-177.4	0	0	0	0	111.4	K86 I87 A92 D93 Q94	K86-S90 PolarHBondContact O-N 3.01Å; K86-S90 VanDerWaalsContact O-N 3.12Å; I87-S90 WeakPolarHBondContact O-CB 3.38Å; I87-S90 PolarHBondContact O-N 3.01Å; I87-S90 VanDerWaalsContact O-N 3.09Å; S90-A92 VanDerWaalsContact C-N 3.33Å; S90-D93 PolarHBondContact O-N 3.23Å; S90-Q94 WeakPolarHBondContact O-CG 3.26Å; S90-Q94 PolarHBondContact O-N 3.26Å; S90-Q94 VanDerWaalsContact O-N 3.14Å
91	E	96.9	Very high	93.5	Very high	50 Å²	50	67.6 Å²	67.6	23%	0.234	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-37.7	174.2	-69.9	-179.8	-152.8	0	0	111.7	R83 I87 L88 Q89 Q94 L95 V174	R83-E91 IonicContact CZ-OE1 2.65Å; R83-E91 IonicContact NH1-OE1 3.13Å; R83-E91 PolarHBondContact NH1-OE1 3.07Å; R83-E91 IonicContact NH1-OE2 3.58Å; R83-E91 PolarHBondContact NH1-OE2 3.1Å; R83-E91 VanDerWaalsContact NH1-OE2 3.09Å; I87-E91 WeakPolarHBondContact CG2-OE1 3.3Å; I87-E91 PolarHBondContact O-N 3.42Å; L88-E91 PolarHBondContact O-N 3.38Å; Q89-E91 VanDerWaalsContact C-N 3.34Å; E91-Q94 PolarHBondContact O-N 3.43Å; E91-L95 WeakPolarHBondContact O-CB 2.99Å; E91-L95 PolarHBondContact O-N 3.46Å; E91-V174 HydrophobicContact CB-CG1 3.95Å; E91-V174 HydrophobicContact CB-CG2 3.67Å
92	A	96.8	Very high	93.1	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.008	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-42.2	176.2	0	0	0	0	0	112	L88 Q89 S90 Q94 L95 K96 V174 L177 A178	L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 3.34Å; Q89-A92 WeakPolarHBondContact O-CB 3.37Å; Q89-A92 PolarHBondContact O-N 2.86Å; S90-A92 VanDerWaalsContact C-N 3.33Å; A92-Q94 VanDerWaalsContact C-N 3.27Å; A92-Q94 PolarHBondContact O-N 2.84Å; A92-L95 PolarHBondContact O-N 2.87Å; A92-K96 VanDerWaalsContact O-CB 3.32Å; A92-K96 WeakPolarHBondContact O-CB 3.07Å; A92-K96 PolarHBondContact O-N 3.49Å; A92-V174 HydrophobicContact CB-CG1 4.29Å; A92-L177 HydrophobicContact CB-CB 3.65Å; A92-A178 HydrophobicContact CB-CB 4.23Å
93	D	95.4	Very high	92.5	Very high	52 Å²	52	65.8 Å²	65.8	28%	0.278	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-36.4	175.5	-67.9	-18.9	0	0	0	111	Q89 S90 K97 R424	Q89-D93 PolarHBondContact NE2-OD1 2.66Å; Q89-D93 VanDerWaalsContact O-CG 3.27Å; Q89-D93 PolarHBondContact O-N 3.22Å; S90-D93 PolarHBondContact O-N 3.23Å; D93-K97 PolarHBondContact O-N 2.95Å; D93-R424 IonicContact OD1-CZ 2.67Å; D93-R424 IonicContact OD1-NH1 3.25Å; D93-R424 PolarHBondContact OD1-NH1 2.92Å; D93-R424 IonicContact OD2-CZ 2.77Å; D93-R424 IonicContact OD2-NH1 3.33Å; D93-R424 PolarHBondContact OD2-NH1 2.99Å; D93-R424 IonicContact OD2-NH2 3.49Å; D93-R424 PolarHBondContact OD2-NH2 3.03Å
94	Q	95.5	Very high	92.1	Very high	108 Å²	108	62.4 Å²	62.4	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-71.2	-43.5	174.1	-67.5	174.4	33.7	0	0	112.5	S90 E91 A92 K97 K98	S90-Q94 WeakPolarHBondContact O-CG 3.26Å; S90-Q94 PolarHBondContact O-N 3.26Å; S90-Q94 VanDerWaalsContact O-N 3.14Å; E91-Q94 PolarHBondContact O-N 3.43Å; A92-Q94 VanDerWaalsContact C-N 3.27Å; A92-Q94 PolarHBondContact O-N 2.84Å; Q94-K97 PolarHBondContact O-N 3.39Å; Q94-K98 PolarHBondContact O-N 2.82Å
95	L	94.9	Very high	91.5	Very high	22 Å²	22	60 Å²	60	12%	0.115	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-43.4	178.1	178.2	61.1	0	0	0	110.8	E91 A92 K97 K98 L99 F166 V174 Y175 A178	E91-L95 WeakPolarHBondContact O-CB 2.99Å; E91-L95 PolarHBondContact O-N 3.46Å; A92-L95 PolarHBondContact O-N 2.87Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-K97 PolarHBondContact O-N 3.31Å; L95-K98 WeakPolarHBondContact O-CA 3.43Å; L95-K98 WeakPolarHBondContact O-CB 3.45Å; L95-K98 PolarHBondContact O-N 2.81Å; L95-L99 HydrophobicContact CD1-CD1 4.15Å; L95-L99 HydrophobicContact CD1-CD2 4.39Å; L95-L99 HydrophobicContact CD1-CG 4Å; L95-L99 HydrophobicContact CD2-CD1 4.28Å; L95-L99 HydrophobicContact CG-CD1 3.82Å; L95-L99 HydrophobicContact CG-CG 4.12Å; L95-L99 WeakPolarHBondContact O-CG 3.1Å; L95-L99 PolarHBondContact O-N 2.77Å; L95-F166 HydrophobicContact CD2-CE1 4.34Å; L95-F166 HydrophobicContact CD2-CZ 4.21Å; L95-V174 HydrophobicContact CB-CG1 4.07Å; L95-V174 HydrophobicContact CD2-CG1 3.79Å; L95-Y175 HydrophobicContact CD2-CD2 4.33Å; L95-A178 HydrophobicContact CD2-CB 4.37Å
96	K	93.9	Very high	91	Very high	49 Å²	49	59.7 Å²	59.7	21%	0.213	29%	0.294	C	S	.	.	H	α-helix	trans	-52.7	-50.3	176.4	-175.2	178.6	-178	179.5	0	111.5	A92 K98 L99 D100 A178 E435	A92-K96 VanDerWaalsContact O-CB 3.32Å; A92-K96 WeakPolarHBondContact O-CB 3.07Å; A92-K96 PolarHBondContact O-N 3.49Å; K96-K98 VanDerWaalsContact C-N 3.29Å; K96-K98 PolarHBondContact O-N 2.8Å; K96-L99 PolarHBondContact O-N 2.92Å; K96-L99 VanDerWaalsContact O-N 3.08Å; K96-D100 VanDerWaalsContact O-CG 3.27Å; K96-D100 PolarHBondContact O-N 2.94Å; K96-A178 HydrophobicContact CB-CB 4.35Å; K96-E435 IonicContact NZ-OE1 3.48Å; K96-E435 PolarHBondContact NZ-OE1 3.44Å; K96-E435 IonicContact NZ-OE2 3.86Å; K96-E435 PolarHBondContact NZ-OE2 3.18Å
97	K	91.7	Very high	90.4	Very high	148 Å²	148	55.2 Å²	55.2	64%	0.643	28%	0.28	S	S	*	.	H	α-helix	trans	-57.6	-39.1	176	-69.7	176.9	-178.9	179.5	0	113	D93 Q94 L95 Q101	D93-K97 PolarHBondContact O-N 2.95Å; Q94-K97 PolarHBondContact O-N 3.39Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-K97 PolarHBondContact O-N 3.31Å; K97-Q101 WeakPolarHBondContact O-CG 3.31Å; K97-Q101 PolarHBondContact O-N 2.83Å
98	K	89.8	Confident	89.7	Confident	115 Å²	115	56.4 Å²	56.4	50%	0.5	29%	0.293	S	S	.	.	H	α-helix	trans	-68.1	-40	176	-69.2	177.6	-179.8	173.2	0	112	Q94 L95 K96 Q101 R102	Q94-K98 PolarHBondContact O-N 2.82Å; L95-K98 WeakPolarHBondContact O-CA 3.43Å; L95-K98 WeakPolarHBondContact O-CB 3.45Å; L95-K98 PolarHBondContact O-N 2.81Å; K96-K98 VanDerWaalsContact C-N 3.29Å; K96-K98 PolarHBondContact O-N 2.8Å; K98-Q101 PolarHBondContact O-N 2.92Å; K98-R102 PolarHBondContact O-N 2.96Å
99	L	90.6	Very high	89.1	Confident	13 Å²	13	62.6 Å²	62.6	7%	0.068	32%	0.322	C	S	.	.	H	α-helix	trans	-70.4	-33.9	179.1	-67	176.5	0	0	0	112.1	L95 K96 Q101 R102 L164 Y175 R179	L95-L99 HydrophobicContact CD1-CD1 4.15Å; L95-L99 HydrophobicContact CD1-CD2 4.39Å; L95-L99 HydrophobicContact CD1-CG 4Å; L95-L99 HydrophobicContact CD2-CD1 4.28Å; L95-L99 HydrophobicContact CG-CD1 3.82Å; L95-L99 HydrophobicContact CG-CG 4.12Å; L95-L99 WeakPolarHBondContact O-CG 3.1Å; L95-L99 PolarHBondContact O-N 2.77Å; K96-L99 PolarHBondContact O-N 2.92Å; K96-L99 VanDerWaalsContact O-N 3.08Å; L99-Q101 PolarHBondContact O-N 2.81Å; L99-R102 WeakPolarHBondContact O-CB 3.34Å; L99-R102 PolarHBondContact O-N 2.95Å; L99-R102 VanDerWaalsContact O-N 3.13Å; L99-L164 HydrophobicContact CD2-CD1 3.93Å; L99-L164 HydrophobicContact CD2-CD2 4.05Å; L99-Y175 HydrophobicContact CD1-CD2 4.38Å; L99-Y175 HydrophobicContact CD1-CE2 4.3Å; L99-R179 HydrophobicContact CD1-CG 3.82Å
100	D	86	Confident	88.5	Confident	112 Å²	112	64.9 Å²	64.9	60%	0.599	33%	0.333	S	S	*	.	H	α-helix	trans	-66	-28.7	174.7	-67.7	-22.1	0	0	0	112.2	K96 R102	K96-D100 VanDerWaalsContact O-CG 3.27Å; K96-D100 PolarHBondContact O-N 2.94Å; D100-R102 VanDerWaalsContact C-N 3.33Å
101	Q	83.5	Confident	88	Confident	121 Å²	121	63.9 Å²	63.9	57%	0.565	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.9	175.7	-67.1	178	-6.9	0	0	113.3	K97 K98 L99 Q103	K97-Q101 WeakPolarHBondContact O-CG 3.31Å; K97-Q101 PolarHBondContact O-N 2.83Å; K98-Q101 PolarHBondContact O-N 2.92Å; L99-Q101 PolarHBondContact O-N 2.81Å; Q101-Q103 PolarHBondContact O-N 2.95Å
102	R	85.7	Confident	87.6	Confident	29 Å²	29	67.9 Å²	67.9	11%	0.109	34%	0.343	C	S	.	.			trans	-68.3	129.7	-173.1	-162.8	158.1	179.3	88.2	5.8	110.5	K98 L99 D100 K162 E287	K98-R102 PolarHBondContact O-N 2.96Å; L99-R102 WeakPolarHBondContact O-CB 3.34Å; L99-R102 PolarHBondContact O-N 2.95Å; L99-R102 VanDerWaalsContact O-N 3.13Å; D100-R102 VanDerWaalsContact C-N 3.33Å; R102-K162 PolarHBondContact NH1-O 2.79Å; R102-K162 PolarHBondContact NH2-O 2.76Å; R102-E287 IonicContact CZ-OE1 3.41Å; R102-E287 IonicContact CZ-OE2 2.78Å; R102-E287 IonicContact NE-OE1 2.72Å; R102-E287 PolarHBondContact NE-OE1 2.81Å; R102-E287 IonicContact NE-OE2 3.57Å; R102-E287 VanDerWaalsContact NH2-CD 3.34Å; R102-E287 IonicContact NH2-OE1 3.51Å; R102-E287 PolarHBondContact NH2-OE1 3.02Å; R102-E287 IonicContact NH2-OE2 3.15Å; R102-E287 PolarHBondContact NH2-OE2 3.31Å
103	Q	83	Confident	87.2	Confident	52 Å²	52	72.9 Å²	72.9	24%	0.243	37%	0.369	C	S	.	.			trans	-121.7	163.5	179.3	-62.5	-60.6	-33.7	0	0	109.7	Q101 R158	Q101-Q103 PolarHBondContact O-N 2.95Å; Q103-R158 WeakPolarHBondContact CB-O 3.34Å
104	F	84.8	Confident	86.8	Confident	22 Å²	22	70.7 Å²	70.7	10%	0.096	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-69.1	154.3	169.6	-77.3	-110.3	0	0	0	110.1	L285 A286 G318 A322	F104-L285 HydrophobicContact CE1-CB 4.06Å; F104-L285 HydrophobicContact CZ-CB 3.93Å; F104-A286 HydrophobicContact CD2-CB 4.05Å; F104-A286 HydrophobicContact CE1-CB 4.28Å; F104-A286 HydrophobicContact CE2-CB 3.63Å; F104-A286 HydrophobicContact CZ-CB 3.78Å; F104-G318 VanDerWaalsContact CD2-C 3.46Å; F104-A322 HydrophobicContact CE1-CB 3.59Å; F104-A322 HydrophobicContact CZ-CB 3.69Å
105	P	82.2	Confident	86.5	Confident	40 Å²	40	71 Å²	71	26%	0.26	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-57.4	147.1	168.7	24.5	-31.5	0	0	0	110.2	A289	P105-A289 WeakPolarHBondContact CG-O 3.41Å
106	A	80.6	Confident	86.3	Confident	32 Å²	32	74.5 Å²	74.5	26%	0.264	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-61.6	138.1	178.6	0	0	0	0	0	110.6	E110 V111 L154	A106-E110 VanDerWaalsContact CA-OE2 3.28Å; A106-E110 WeakPolarHBondContact CA-OE2 3.18Å; A106-E110 HydrophobicContact CB-CB 4.32Å; A106-V111 HydrophobicContact CB-CG2 3.92Å; A106-L154 HydrophobicContact CB-CD2 4.2Å
107	S	80.6	Confident	86.1	Confident	42 Å²	42	77.4 Å²	77.4	29%	0.294	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-66	159	177.4	81.1	0	0	0	0	111.2	E109 E110 V111	S107-E109 PolarHBondContact O-N 3.36Å; S107-E109 PolarHBondContact OG-N 2.73Å; S107-E110 PolarHBondContact N-OE2 3.39Å; S107-E110 PolarHBondContact O-N 3.09Å; S107-E110 WeakPolarHBondContact OG-CG 3.3Å; S107-E110 PolarHBondContact OG-N 3.39Å; S107-E110 VanDerWaalsContact OG-N 3.09Å; S107-V111 VanDerWaalsContact O-CG2 3.29Å; S107-V111 WeakPolarHBondContact O-CG2 3.44Å; S107-V111 PolarHBondContact O-N 3.19Å
108	P	83.3	Confident	85.9	Confident	112 Å²	112	71.3 Å²	71.3	73%	0.727	36%	0.359	S	S	*	.	H	α-helix	trans	-53.3	-39.3	173.4	-27.6	36	0	0	0	113	V111 Q112	P108-V111 PolarHBondContact O-N 2.8Å; P108-Q112 WeakPolarHBondContact O-CB 3.22Å; P108-Q112 PolarHBondContact O-N 3.37Å
109	E	84.1	Confident	85.8	Confident	130 Å²	130	68.8 Å²	68.8	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-65.2	-47.7	177.8	-63.3	179.2	166.6	0	0	111.3	S107 V111 Q112 D113	S107-E109 PolarHBondContact O-N 3.36Å; S107-E109 PolarHBondContact OG-N 2.73Å; E109-V111 VanDerWaalsContact C-N 3.27Å; E109-V111 PolarHBondContact O-N 3.03Å; E109-Q112 CarbonylContact O-C 3.56Å; E109-Q112 WeakPolarHBondContact O-CA 3.28Å; E109-Q112 WeakPolarHBondContact O-CB 3.34Å; E109-Q112 PolarHBondContact O-N 3.4Å; E109-D113 PolarHBondContact O-N 2.87Å
110	E	82.5	Confident	85.8	Confident	54 Å²	54	73.5 Å²	73.5	25%	0.252	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-36.8	176.5	-70.3	-179.8	130.3	0	0	112.1	A106 S107 Q112 D113 A114 R158	A106-E110 VanDerWaalsContact CA-OE2 3.28Å; A106-E110 WeakPolarHBondContact CA-OE2 3.18Å; A106-E110 HydrophobicContact CB-CB 4.32Å; S107-E110 PolarHBondContact N-OE2 3.39Å; S107-E110 PolarHBondContact O-N 3.09Å; S107-E110 WeakPolarHBondContact OG-CG 3.3Å; S107-E110 PolarHBondContact OG-N 3.39Å; S107-E110 VanDerWaalsContact OG-N 3.09Å; E110-Q112 VanDerWaalsContact C-N 3.31Å; E110-D113 PolarHBondContact O-N 2.92Å; E110-A114 VanDerWaalsContact O-CB 3.3Å; E110-A114 WeakPolarHBondContact O-CB 3.39Å; E110-A114 PolarHBondContact O-N 3.02Å; E110-R158 IonicContact OE1-CZ 2.98Å; E110-R158 IonicContact OE1-NE 3.92Å; E110-R158 PolarHBondContact OE1-NE 2.92Å; E110-R158 IonicContact OE1-NH2 3.41Å; E110-R158 PolarHBondContact OE1-NH2 3.35Å; E110-R158 IonicContact OE2-NE 3.91Å
111	V	85.7	Confident	85.8	Confident	38 Å²	38	71.6 Å²	71.6	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-39	174.6	172.9	0	0	0	0	110.4	A106 S107 P108 E109 R115 L154	A106-V111 HydrophobicContact CB-CG2 3.92Å; S107-V111 VanDerWaalsContact O-CG2 3.29Å; S107-V111 WeakPolarHBondContact O-CG2 3.44Å; S107-V111 PolarHBondContact O-N 3.19Å; P108-V111 PolarHBondContact O-N 2.8Å; E109-V111 VanDerWaalsContact C-N 3.27Å; E109-V111 PolarHBondContact O-N 3.03Å; V111-R115 WeakPolarHBondContact O-CB 3.23Å; V111-R115 VanDerWaalsContact O-CG 3.24Å; V111-R115 WeakPolarHBondContact O-CG 2.94Å; V111-R115 PolarHBondContact O-N 2.83Å; V111-L154 HydrophobicContact CB-CD1 4.47Å; V111-L154 HydrophobicContact CG2-CD1 3.95Å
112	Q	88.9	Confident	85.9	Confident	134 Å²	134	66.7 Å²	66.7	63%	0.626	34%	0.335	S	S	*	.	H	α-helix	trans	-67.8	-44	176	-178.5	173.7	-4.7	0	0	111.7	P108 E109 E110 R115 H116	P108-Q112 WeakPolarHBondContact O-CB 3.22Å; P108-Q112 PolarHBondContact O-N 3.37Å; E109-Q112 CarbonylContact O-C 3.56Å; E109-Q112 WeakPolarHBondContact O-CA 3.28Å; E109-Q112 WeakPolarHBondContact O-CB 3.34Å; E109-Q112 PolarHBondContact O-N 3.4Å; E110-Q112 VanDerWaalsContact C-N 3.31Å; Q112-R115 WeakPolarHBondContact O-CB 3.34Å; Q112-R115 PolarHBondContact O-N 2.94Å; Q112-H116 WeakPolarHBondContact O-CB 3.31Å; Q112-H116 PolarHBondContact O-N 3.47Å
113	D	89.3	Confident	85.7	Confident	105 Å²	105	69 Å²	69	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-61.5	-46.2	176.8	-74.4	-16.6	0	0	0	111.3	E109 E110 R115 H116 E117	E109-D113 PolarHBondContact O-N 2.87Å; E110-D113 PolarHBondContact O-N 2.92Å; D113-R115 VanDerWaalsContact C-N 3.3Å; D113-R115 PolarHBondContact O-N 2.77Å; D113-H116 PolarHBondContact O-N 2.78Å; D113-H116 VanDerWaalsContact O-N 3.13Å; D113-E117 WeakPolarHBondContact O-CB 3.49Å; D113-E117 PolarHBondContact O-N 3.13Å
114	A	87	Confident	85.7	Confident	7 Å²	7	70.8 Å²	70.8	6%	0.058	37%	0.371	C	S	.	.	H	α-helix	trans	-61.3	-39.4	175.3	0	0	0	0	0	111.8	E110 I118 L153 L154	E110-A114 VanDerWaalsContact O-CB 3.3Å; E110-A114 WeakPolarHBondContact O-CB 3.39Å; E110-A114 PolarHBondContact O-N 3.02Å; A114-I118 WeakPolarHBondContact O-CB 3.46Å; A114-I118 WeakPolarHBondContact O-CG1 3.31Å; A114-I118 PolarHBondContact O-N 3.41Å; A114-L153 HydrophobicContact CB-CD2 4.36Å; A114-L154 HydrophobicContact CB-CD1 4.15Å; A114-L154 HydrophobicContact CB-CD2 3.83Å; A114-L154 HydrophobicContact CB-CG 3.88Å
115	R	89.4	Confident	85.6	Confident	115 Å²	115	75.4 Å²	75.4	43%	0.434	39%	0.392	S	S	.	.	H	α-helix	trans	-65	-42.2	173.7	-75.2	174.2	-171.4	-177	8	111.4	V111 Q112 D113 K119 V146 A150	V111-R115 WeakPolarHBondContact O-CB 3.23Å; V111-R115 VanDerWaalsContact O-CG 3.24Å; V111-R115 WeakPolarHBondContact O-CG 2.94Å; V111-R115 PolarHBondContact O-N 2.83Å; Q112-R115 WeakPolarHBondContact O-CB 3.34Å; Q112-R115 PolarHBondContact O-N 2.94Å; D113-R115 VanDerWaalsContact C-N 3.3Å; D113-R115 PolarHBondContact O-N 2.77Å; R115-K119 VanDerWaalsContact O-CB 3.27Å; R115-K119 WeakPolarHBondContact O-CB 3.42Å; R115-K119 PolarHBondContact O-N 3.05Å; R115-V146 HydrophobicContact CB-CG1 4.34Å; R115-V146 HydrophobicContact CG-CG1 4.47Å; R115-A150 HydrophobicContact CG-CB 3.84Å
116	H	90.3	Very high	84.8	Confident	95 Å²	95	79.6 Å²	79.6	44%	0.44	41%	0.413	S	S	.	.	H	α-helix	trans	-66.7	-41.4	-179.8	-173.3	60.8	0	0	0	111.9	Q112 D113 K119 K120	Q112-H116 WeakPolarHBondContact O-CB 3.31Å; Q112-H116 PolarHBondContact O-N 3.47Å; D113-H116 PolarHBondContact O-N 2.78Å; D113-H116 VanDerWaalsContact O-N 3.13Å; H116-K119 WeakPolarHBondContact O-CB 3.45Å; H116-K119 PolarHBondContact O-N 2.86Å; H116-K120 PolarHBondContact CD2-NZ 3.38Å; H116-K120 WeakPolarHBondContact NE2-CE 3.49Å; H116-K120 PolarHBondContact NE2-NZ 3.26Å; H116-K120 WeakPolarHBondContact O-CG 3.43Å; H116-K120 PolarHBondContact O-N 3.05Å
117	E	89	Confident	84.1	Confident	110 Å²	110	81.7 Å²	81.7	51%	0.514	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-48	175	-172.2	179.9	-166.2	0	0	111.4	D113 K119 K120 I121	D113-E117 WeakPolarHBondContact O-CB 3.49Å; D113-E117 PolarHBondContact O-N 3.13Å; E117-K119 VanDerWaalsContact C-N 3.28Å; E117-K119 PolarHBondContact O-N 3.03Å; E117-K120 PolarHBondContact O-N 3.09Å; E117-I121 HydrophobicContact CG-CD1 4.23Å; E117-I121 WeakPolarHBondContact O-CG1 3.44Å; E117-I121 PolarHBondContact O-N 3.15Å
118	I	88.4	Confident	83.3	Confident	19 Å²	19	82.6 Å²	82.6	10%	0.097	44%	0.436	C	S	.	.	H	α-helix	trans	-61.3	-39.2	175.1	-69.8	-62.5	0	0	0	111.4	A114 I121 L122 V146 K149 A150 L153	A114-I118 WeakPolarHBondContact O-CB 3.46Å; A114-I118 WeakPolarHBondContact O-CG1 3.31Å; A114-I118 PolarHBondContact O-N 3.41Å; I118-I121 HydrophobicContact CD1-CD1 4.47Å; I118-I121 PolarHBondContact O-N 2.96Å; I118-L122 HydrophobicContact CG2-CD1 3.91Å; I118-L122 HydrophobicContact CG2-CG 4.41Å; I118-L122 WeakPolarHBondContact O-CB 3.36Å; I118-L122 VanDerWaalsContact O-CG 3.29Å; I118-L122 WeakPolarHBondContact O-CG 3.46Å; I118-L122 PolarHBondContact O-N 3.23Å; I118-V146 HydrophobicContact CG2-CG1 4.3Å; I118-K149 HydrophobicContact CD1-CB 4.32Å; I118-K149 HydrophobicContact CG2-CB 3.65Å; I118-K149 HydrophobicContact CG2-CD 4.36Å; I118-A150 HydrophobicContact CG1-CB 4.25Å; I118-L153 HydrophobicContact CD1-CB 4.4Å; I118-L153 HydrophobicContact CD1-CD2 4.01Å; I118-L153 HydrophobicContact CG1-CD2 4.09Å
119	K	88	Confident	82.4	Confident	63 Å²	63	78.8 Å²	78.8	27%	0.274	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-44.3	176.3	-164.9	-169.1	-179.6	-144	0	111.4	R115 H116 E117 I121 L122 E123 F128	R115-K119 VanDerWaalsContact O-CB 3.27Å; R115-K119 WeakPolarHBondContact O-CB 3.42Å; R115-K119 PolarHBondContact O-N 3.05Å; H116-K119 WeakPolarHBondContact O-CB 3.45Å; H116-K119 PolarHBondContact O-N 2.86Å; E117-K119 VanDerWaalsContact C-N 3.28Å; E117-K119 PolarHBondContact O-N 3.03Å; K119-I121 PolarHBondContact O-N 2.91Å; K119-L122 PolarHBondContact O-N 2.77Å; K119-E123 WeakPolarHBondContact CD-OE1 3.37Å; K119-E123 WeakPolarHBondContact CE-OE1 3.35Å; K119-E123 WeakPolarHBondContact CG-OE1 3.39Å; K119-E123 IonicContact NZ-OE1 2.76Å; K119-E123 PolarHBondContact NZ-OE1 3.29Å; K119-E123 VanDerWaalsContact NZ-OE1 3.11Å; K119-E123 WeakPolarHBondContact O-CB 3.46Å; K119-E123 WeakPolarHBondContact O-CG 3.26Å; K119-E123 PolarHBondContact O-N 3.11Å; K119-F128 HydrophobicContact CD-CE2 4.36Å; K119-F128 VanDerWaalsContact CE-CZ 3.43Å; K119-F128 HydrophobicContact CG-CE2 4.25Å
120	K	88.8	Confident	81.7	Confident	112 Å²	112	76.5 Å²	76.5	49%	0.487	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-41.9	175.1	-76	179	178.6	164.2	0	112.9	H116 E117 E123 A124	H116-K120 PolarHBondContact CD2-NZ 3.38Å; H116-K120 WeakPolarHBondContact NE2-CE 3.49Å; H116-K120 PolarHBondContact NE2-NZ 3.26Å; H116-K120 WeakPolarHBondContact O-CG 3.43Å; H116-K120 PolarHBondContact O-N 3.05Å; E117-K120 PolarHBondContact O-N 3.09Å; K120-E123 PolarHBondContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.2Å; K120-A124 PolarHBondContact O-N 3.49Å
121	I	87.3	Confident	81	Confident	72 Å²	72	81.9 Å²	81.9	37%	0.369	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-46.2	177.5	-67.5	165.1	0	0	0	109.8	E117 I118 K119 A124 E125	E117-I121 HydrophobicContact CG-CD1 4.23Å; E117-I121 WeakPolarHBondContact O-CG1 3.44Å; E117-I121 PolarHBondContact O-N 3.15Å; I118-I121 HydrophobicContact CD1-CD1 4.47Å; I118-I121 PolarHBondContact O-N 2.96Å; K119-I121 PolarHBondContact O-N 2.91Å; I121-A124 PolarHBondContact O-N 2.94Å; I121-E125 HydrophobicContact CG2-CG 4.43Å; I121-E125 WeakPolarHBondContact O-CG 3.42Å; I121-E125 PolarHBondContact O-N 2.95Å
122	L	84.8	Confident	80.5	Confident	18 Å²	18	87.4 Å²	87.4	9%	0.094	45%	0.45	C	S	.	.	H	α-helix	trans	-62.4	-42.7	176.4	-73.2	170.1	0	0	0	112.3	I118 K119 A124 E125 D126 F142 V146 K149	I118-L122 HydrophobicContact CG2-CD1 3.91Å; I118-L122 HydrophobicContact CG2-CG 4.41Å; I118-L122 WeakPolarHBondContact O-CB 3.36Å; I118-L122 VanDerWaalsContact O-CG 3.29Å; I118-L122 WeakPolarHBondContact O-CG 3.46Å; I118-L122 PolarHBondContact O-N 3.23Å; K119-L122 PolarHBondContact O-N 2.77Å; L122-A124 PolarHBondContact O-N 2.7Å; L122-E125 PolarHBondContact O-N 3.34Å; L122-D126 PolarHBondContact O-N 3.27Å; L122-F142 HydrophobicContact CB-CE2 4.39Å; L122-F142 HydrophobicContact CB-CZ 4.2Å; L122-F142 HydrophobicContact CD1-CE2 4.22Å; L122-F142 HydrophobicContact CD1-CZ 4.05Å; L122-V146 HydrophobicContact CD1-CG2 3.62Å; L122-K149 HydrophobicContact CD1-CD 4.44Å; L122-K149 HydrophobicContact CD2-CD 4.09Å
123	E	81.8	Confident	79.9	Confident	77 Å²	77	85.1 Å²	85.1	36%	0.36	45%	0.449	S	S	.	.	H	α-helix	trans	-60.8	-31.2	176.2	-76.5	168.1	-178	0	0	112.5	K119 K120 F128	K119-E123 WeakPolarHBondContact CD-OE1 3.37Å; K119-E123 WeakPolarHBondContact CE-OE1 3.35Å; K119-E123 WeakPolarHBondContact CG-OE1 3.39Å; K119-E123 IonicContact NZ-OE1 2.76Å; K119-E123 PolarHBondContact NZ-OE1 3.29Å; K119-E123 VanDerWaalsContact NZ-OE1 3.11Å; K119-E123 WeakPolarHBondContact O-CB 3.46Å; K119-E123 WeakPolarHBondContact O-CG 3.26Å; K119-E123 PolarHBondContact O-N 3.11Å; K120-E123 PolarHBondContact O-N 3.1Å; E123-F128 HydrophobicContact CG-CB 4.18Å; E123-F128 HydrophobicContact CG-CD2 3.52Å; E123-F128 HydrophobicContact CG-CE2 4.32Å; E123-F128 HydrophobicContact CG-CG 4.21Å
124	A	84	Confident	79.5	Confident	89 Å²	89	82.3 Å²	82.3	74%	0.736	44%	0.435	S	S	*	.	H	α-helix	trans	-83	-28.2	176.8	0	0	0	0	0	113.6	K120 I121 L122	K120-A124 WeakPolarHBondContact O-CB 3.2Å; K120-A124 PolarHBondContact O-N 3.49Å; I121-A124 PolarHBondContact O-N 2.94Å; L122-A124 PolarHBondContact O-N 2.7Å
125	E	82.1	Confident	79.4	Confident	119 Å²	119	85.2 Å²	85.2	56%	0.556	46%	0.455	S	S	*	.	H	α-helix	trans	-82.1	-43.4	-179.7	-74.1	175.4	174	0	0	112.3	I121 L122	I121-E125 HydrophobicContact CG2-CG 4.43Å; I121-E125 WeakPolarHBondContact O-CG 3.42Å; I121-E125 PolarHBondContact O-N 2.95Å; L122-E125 PolarHBondContact O-N 3.34Å
126	D	65.2	Low	79.2	Confident	128 Å²	128	86.6 Å²	86.6	68%	0.684	47%	0.466	S	S	*	.	S	Bend	trans	-144.6	121.8	-178.4	-74.2	-55.6	0	0	0	109.3	L122 F128	L122-D126 PolarHBondContact O-N 3.27Å; D126-F128 PolarHBondContact O-N 3.43Å
127	G	65.9	Low	79.1	Confident	76 Å²	76	90 Å²	90	78%	0.784	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-46.5	125.2	-175.4	0	0	0	0	0	113
128	F	64.6	Low	78.9	Confident	61 Å²	61	88.2 Å²	88.2	27%	0.268	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-47.8	134.3	-177	-161.4	-102.1	0	0	0	111.4	K119 E123 D126 D130 R131 F142	K119-F128 HydrophobicContact CD-CE2 4.36Å; K119-F128 VanDerWaalsContact CE-CZ 3.43Å; K119-F128 HydrophobicContact CG-CE2 4.25Å; E123-F128 HydrophobicContact CG-CB 4.18Å; E123-F128 HydrophobicContact CG-CD2 3.52Å; E123-F128 HydrophobicContact CG-CE2 4.32Å; E123-F128 HydrophobicContact CG-CG 4.21Å; D126-F128 PolarHBondContact O-N 3.43Å; F128-D130 PolarHBondContact O-N 2.89Å; F128-R131 HydrophobicContact CE1-CG 4.38Å; F128-F142 HydrophobicContact CD2-CE1 4.17Å; F128-F142 AromaticContact CD2-CZ 3.96Å; F128-F142 HydrophobicContact CD2-CZ 3.96Å; F128-F142 HydrophobicContact CE2-CD1 4.29Å; F128-F142 AromaticContact CE2-CE1 3.45Å; F128-F142 HydrophobicContact CE2-CE1 3.45Å; F128-F142 VanDerWaalsContact CE2-CE1 3.45Å; F128-F142 AromaticContact CE2-CZ 3.72Å; F128-F142 HydrophobicContact CE2-CZ 3.72Å; F128-F142 HydrophobicContact CZ-CE1 4.17Å
129	P	64.4	Low	78.7	Confident	32 Å²	32	89.4 Å²	89.4	21%	0.208	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-60.1	118.3	173.8	-9.9	20.9	0	0	0	108.4	R131 V134 F142	P129-R131 PolarHBondContact O-N 2.87Å; P129-R131 VanDerWaalsContact O-N 3.08Å; P129-V134 HydrophobicContact CB-CB 4.27Å; P129-V134 HydrophobicContact CB-CG1 4.15Å; P129-V134 HydrophobicContact CB-CG2 3.79Å; P129-F142 HydrophobicContact CG-CD2 4.2Å; P129-F142 HydrophobicContact CG-CG 4.47Å
130	D	69.6	Low	78.7	Confident	83 Å²	83	91 Å²	91	44%	0.444	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-60.5	118.5	177.7	166.1	26.6	0	0	0	108.9	F128 N132 S133 V134	F128-D130 PolarHBondContact O-N 2.89Å; D130-N132 PolarHBondContact O-N 3.41Å; D130-N132 PolarHBondContact OD1-N 2.77Å; D130-S133 WeakPolarHBondContact CB-OG 3.32Å; D130-S133 PolarHBondContact O-N 2.84Å; D130-S133 PolarHBondContact O-OG 3.21Å; D130-S133 VanDerWaalsContact O-OG 3.12Å; D130-V134 WeakPolarHBondContact O-CB 3.47Å; D130-V134 WeakPolarHBondContact O-CG2 3.22Å; D130-V134 PolarHBondContact O-N 2.86Å
131	R	67.3	Low	78.6	Confident	166 Å²	166	88.4 Å²	88.4	63%	0.626	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.1	-177.1	-82.8	-176.7	168.4	-173.2	-5	112.8	F128 P129 L139	F128-R131 HydrophobicContact CE1-CG 4.38Å; P129-R131 PolarHBondContact O-N 2.87Å; P129-R131 VanDerWaalsContact O-N 3.08Å; R131-L139 HydrophobicContact CG-CD1 4.25Å
132	N	74.5	Confident	78.6	Confident	154 Å²	154	86.7 Å²	86.7	82%	0.824	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-20.9	180	-64.6	-22.2	0	0	0	113.6	D130	D130-N132 PolarHBondContact O-N 3.41Å; D130-N132 PolarHBondContact OD1-N 2.77Å
133	S	75.7	Confident	78.7	Confident	87 Å²	87	90 Å²	90	61%	0.608	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-12.7	-175.1	67.2	0	0	0	0	113.8	D130	D130-S133 WeakPolarHBondContact CB-OG 3.32Å; D130-S133 PolarHBondContact O-N 2.84Å; D130-S133 PolarHBondContact O-OG 3.21Å; D130-S133 VanDerWaalsContact O-OG 3.12Å
134	V	81.3	Confident	79.2	Confident	45 Å²	45	91.7 Å²	91.7	27%	0.273	51%	0.509	S	S	.	.	S	Bend	trans	-113	137.9	-167	176.1	0	0	0	0	111.7	P129 D130 V138	P129-V134 HydrophobicContact CB-CB 4.27Å; P129-V134 HydrophobicContact CB-CG1 4.15Å; P129-V134 HydrophobicContact CB-CG2 3.79Å; D130-V134 WeakPolarHBondContact O-CB 3.47Å; D130-V134 WeakPolarHBondContact O-CG2 3.22Å; D130-V134 PolarHBondContact O-N 2.86Å; V134-V138 HydrophobicContact CG1-CB 3.34Å; V134-V138 HydrophobicContact CG1-CG1 3.3Å; V134-V138 HydrophobicContact CG1-CG2 4.18Å
135	S	85.1	Confident	79.4	Confident	69 Å²	69	90.9 Å²	90.9	48%	0.483	49%	0.49	S	S	.	.			trans	-61.9	148.3	178.8	75.2	0	0	0	0	112.5	K137 V138 L139	S135-K137 PolarHBondContact O-N 2.77Å; S135-K137 VanDerWaalsContact O-N 3.11Å; S135-V138 PolarHBondContact O-N 3.49Å; S135-V138 WeakPolarHBondContact OG-CG2 3.32Å; S135-L139 PolarHBondContact O-N 2.65Å
136	Q	86.3	Confident	79.6	Confident	143 Å²	143	85.8 Å²	85.8	67%	0.668	47%	0.467	S	S	*	.	H	α-helix	trans	-50.7	-39.2	178.6	-176.7	179.3	-10.1	0	0	113.2	V138 L139 E140	Q136-V138 VanDerWaalsContact C-N 3.3Å; Q136-V138 PolarHBondContact O-N 2.81Å; Q136-L139 PolarHBondContact O-N 3.45Å; Q136-E140 HydrophobicContact CG-CG 4.47Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 3.32Å; Q136-E140 WeakPolarHBondContact O-CG 3.48Å; Q136-E140 PolarHBondContact O-N 3.18Å
137	K	86.6	Confident	80.8	Confident	168 Å²	168	85 Å²	85	73%	0.73	46%	0.458	S	S	*	.	H	α-helix	trans	-60.8	-35.8	178.5	-70.8	-177	177.9	178.3	0	113.4	S135 A141	S135-K137 PolarHBondContact O-N 2.77Å; S135-K137 VanDerWaalsContact O-N 3.11Å; K137-A141 WeakPolarHBondContact O-CB 3.42Å; K137-A141 PolarHBondContact O-N 2.92Å
138	V	85.1	Confident	82	Confident	71 Å²	71	88.2 Å²	88.2	43%	0.43	45%	0.45	S	S	.	.	H	α-helix	trans	-74.5	-36.1	179.1	173.5	0	0	0	0	110.3	V134 S135 Q136 A141 F142	V134-V138 HydrophobicContact CG1-CB 3.34Å; V134-V138 HydrophobicContact CG1-CG1 3.3Å; V134-V138 HydrophobicContact CG1-CG2 4.18Å; S135-V138 PolarHBondContact O-N 3.49Å; S135-V138 WeakPolarHBondContact OG-CG2 3.32Å; Q136-V138 VanDerWaalsContact C-N 3.3Å; Q136-V138 PolarHBondContact O-N 2.81Å; V138-A141 PolarHBondContact O-N 3.33Å; V138-F142 WeakPolarHBondContact O-CB 3.3Å; V138-F142 PolarHBondContact O-N 3.23Å
139	L	85.4	Confident	83.2	Confident	44 Å²	44	88.6 Å²	88.6	23%	0.23	45%	0.452	C	S	.	.	H	α-helix	trans	-64.5	-43.3	173.3	-170.7	66.6	0	0	0	111.5	R131 S135 Q136 F142 D143	R131-L139 HydrophobicContact CG-CD1 4.25Å; S135-L139 PolarHBondContact O-N 2.65Å; Q136-L139 PolarHBondContact O-N 3.45Å; L139-F142 PolarHBondContact O-N 2.96Å; L139-D143 PolarHBondContact O-N 3.13Å
140	E	88	Confident	84.3	Confident	97 Å²	97	87.2 Å²	87.2	45%	0.453	44%	0.443	S	S	.	.	H	α-helix	trans	-62.7	-42.1	174.8	-72.4	171.5	-173.8	0	0	112.2	Q136 F142 D143 L144	Q136-E140 HydrophobicContact CG-CG 4.47Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 3.32Å; Q136-E140 WeakPolarHBondContact O-CG 3.48Å; Q136-E140 PolarHBondContact O-N 3.18Å; E140-F142 VanDerWaalsContact C-N 3.33Å; E140-F142 PolarHBondContact O-N 3.45Å; E140-D143 PolarHBondContact O-N 3.29Å; E140-L144 WeakPolarHBondContact O-CB 3.48Å; E140-L144 VanDerWaalsContact O-CG 3.29Å; E140-L144 WeakPolarHBondContact O-CG 3.29Å; E140-L144 PolarHBondContact O-N 3.39Å
141	A	86.5	Confident	85.1	Confident	58 Å²	58	86.5 Å²	86.5	48%	0.479	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-39.8	175.4	0	0	0	0	0	112.1	K137 V138 L144 E145	K137-A141 WeakPolarHBondContact O-CB 3.42Å; K137-A141 PolarHBondContact O-N 2.92Å; V138-A141 PolarHBondContact O-N 3.33Å; A141-L144 PolarHBondContact O-N 3.17Å; A141-E145 PolarHBondContact O-N 2.92Å
142	F	85.8	Confident	86.1	Confident	36 Å²	36	84.6 Å²	84.6	16%	0.158	44%	0.441	C	S	.	.	H	α-helix	trans	-64.3	-47.3	174.7	-177.3	-91.8	0	0	0	111.6	L122 F128 P129 V138 L139 E140 L144 E145 V146	L122-F142 HydrophobicContact CB-CE2 4.39Å; L122-F142 HydrophobicContact CB-CZ 4.2Å; L122-F142 HydrophobicContact CD1-CE2 4.22Å; L122-F142 HydrophobicContact CD1-CZ 4.05Å; F128-F142 HydrophobicContact CD2-CE1 4.17Å; F128-F142 AromaticContact CD2-CZ 3.96Å; F128-F142 HydrophobicContact CD2-CZ 3.96Å; F128-F142 HydrophobicContact CE2-CD1 4.29Å; F128-F142 AromaticContact CE2-CE1 3.45Å; F128-F142 HydrophobicContact CE2-CE1 3.45Å; F128-F142 VanDerWaalsContact CE2-CE1 3.45Å; F128-F142 AromaticContact CE2-CZ 3.72Å; F128-F142 HydrophobicContact CE2-CZ 3.72Å; F128-F142 HydrophobicContact CZ-CE1 4.17Å; P129-F142 HydrophobicContact CG-CD2 4.2Å; P129-F142 HydrophobicContact CG-CG 4.47Å; V138-F142 WeakPolarHBondContact O-CB 3.3Å; V138-F142 PolarHBondContact O-N 3.23Å; L139-F142 PolarHBondContact O-N 2.96Å; E140-F142 VanDerWaalsContact C-N 3.33Å; E140-F142 PolarHBondContact O-N 3.45Å; F142-L144 VanDerWaalsContact C-N 3.29Å; F142-L144 PolarHBondContact O-N 3.37Å; F142-E145 PolarHBondContact O-N 3.19Å; F142-E145 VanDerWaalsContact O-N 3.08Å; F142-V146 HydrophobicContact CD1-CG2 3.9Å; F142-V146 HydrophobicContact CE1-CG2 3.49Å; F142-V146 VanDerWaalsContact CE1-CG2 3.49Å; F142-V146 HydrophobicContact CZ-CG2 3.96Å; F142-V146 WeakPolarHBondContact O-CG2 3.27Å; F142-V146 PolarHBondContact O-N 3.07Å
143	D	88.6	Confident	86.6	Confident	86 Å²	86	79.5 Å²	79.5	46%	0.46	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-37.2	177.1	-80.5	-14.2	0	0	0	112.2	L139 E140 K147	L139-D143 PolarHBondContact O-N 3.13Å; E140-D143 PolarHBondContact O-N 3.29Å; D143-K147 VanDerWaalsContact O-CB 3.3Å; D143-K147 WeakPolarHBondContact O-CB 3.47Å; D143-K147 PolarHBondContact O-N 3.42Å
144	L	90.7	Very high	87	Confident	113 Å²	113	76.7 Å²	76.7	59%	0.592	39%	0.391	S	S	*	.	H	α-helix	trans	-63.8	-40.9	172.6	-75.7	171.4	0	0	0	112.1	E140 A141 F142 K147 K148	E140-L144 WeakPolarHBondContact O-CB 3.48Å; E140-L144 VanDerWaalsContact O-CG 3.29Å; E140-L144 WeakPolarHBondContact O-CG 3.29Å; E140-L144 PolarHBondContact O-N 3.39Å; A141-L144 PolarHBondContact O-N 3.17Å; F142-L144 VanDerWaalsContact C-N 3.29Å; F142-L144 PolarHBondContact O-N 3.37Å; L144-K147 PolarHBondContact O-N 3.2Å; L144-K148 VanDerWaalsContact O-CB 3.31Å; L144-K148 WeakPolarHBondContact O-CB 3.32Å; L144-K148 PolarHBondContact O-N 2.81Å
145	E	87.9	Confident	87	Confident	72 Å²	72	82 Å²	82	34%	0.336	41%	0.407	S	S	.	.	H	α-helix	trans	-68.5	-42.1	176.9	-173.9	57.9	-154.6	0	0	111.6	A141 F142 K147 K148 K149	A141-E145 PolarHBondContact O-N 2.92Å; F142-E145 PolarHBondContact O-N 3.19Å; F142-E145 VanDerWaalsContact O-N 3.08Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.81Å; E145-K148 PolarHBondContact O-N 3.23Å; E145-K148 IonicContact OE2-NZ 3.55Å; E145-K149 HydrophobicContact CG-CD 4.49Å; E145-K149 WeakPolarHBondContact O-CB 3.38Å; E145-K149 PolarHBondContact O-N 3.44Å; E145-K149 WeakPolarHBondContact OE1-CE 3.47Å; E145-K149 WeakPolarHBondContact OE1-CG 3.17Å
146	V	88	Confident	86.6	Confident	12 Å²	12	87.9 Å²	87.9	7%	0.073	42%	0.418	C	S	.	.	H	α-helix	trans	-56.3	-49.9	171.2	172.8	0	0	0	0	110	R115 I118 L122 F142 K148 K149 A150	R115-V146 HydrophobicContact CB-CG1 4.34Å; R115-V146 HydrophobicContact CG-CG1 4.47Å; I118-V146 HydrophobicContact CG2-CG1 4.3Å; L122-V146 HydrophobicContact CD1-CG2 3.62Å; F142-V146 HydrophobicContact CD1-CG2 3.9Å; F142-V146 HydrophobicContact CE1-CG2 3.49Å; F142-V146 VanDerWaalsContact CE1-CG2 3.49Å; F142-V146 HydrophobicContact CZ-CG2 3.96Å; F142-V146 WeakPolarHBondContact O-CG2 3.27Å; F142-V146 PolarHBondContact O-N 3.07Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 3.08Å; V146-K149 PolarHBondContact O-N 3.42Å; V146-A150 WeakPolarHBondContact O-CB 3.47Å; V146-A150 PolarHBondContact O-N 2.9Å
147	K	89.8	Confident	85.9	Confident	113 Å²	113	85.5 Å²	85.5	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-59	-44.2	178.6	-174.3	178.9	-179.9	179.9	0	111.3	D143 L144 E145 S151	D143-K147 VanDerWaalsContact O-CB 3.3Å; D143-K147 WeakPolarHBondContact O-CB 3.47Å; D143-K147 PolarHBondContact O-N 3.42Å; L144-K147 PolarHBondContact O-N 3.2Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.81Å; K147-S151 WeakPolarHBondContact O-CB 3.47Å; K147-S151 PolarHBondContact O-N 2.87Å; K147-S151 PolarHBondContact O-OG 3.3Å; K147-S151 VanDerWaalsContact O-OG 3.04Å
148	K	91.1	Very high	85	Confident	142 Å²	142	82.6 Å²	82.6	62%	0.617	40%	0.398	S	S	*	.	H	α-helix	trans	-65.7	-46	179.3	-176.9	-176.7	173.6	-167.2	0	112.3	L144 E145 V146 S151 K152	L144-K148 VanDerWaalsContact O-CB 3.31Å; L144-K148 WeakPolarHBondContact O-CB 3.32Å; L144-K148 PolarHBondContact O-N 2.81Å; E145-K148 PolarHBondContact O-N 3.23Å; E145-K148 IonicContact OE2-NZ 3.55Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 3.08Å; K148-S151 PolarHBondContact O-N 3.35Å; K148-K152 WeakPolarHBondContact O-CB 3.09Å; K148-K152 PolarHBondContact O-N 2.86Å
149	K	89.9	Confident	84.1	Confident	70 Å²	70	83 Å²	83	30%	0.304	39%	0.392	S	S	.	.	H	α-helix	trans	-65	-42.7	176.1	-76.6	-172.8	178.7	-170.9	0	111.3	I118 L122 E145 V146 K152 L153	I118-K149 HydrophobicContact CD1-CB 4.32Å; I118-K149 HydrophobicContact CG2-CB 3.65Å; I118-K149 HydrophobicContact CG2-CD 4.36Å; L122-K149 HydrophobicContact CD1-CD 4.44Å; L122-K149 HydrophobicContact CD2-CD 4.09Å; E145-K149 HydrophobicContact CG-CD 4.49Å; E145-K149 WeakPolarHBondContact O-CB 3.38Å; E145-K149 PolarHBondContact O-N 3.44Å; E145-K149 WeakPolarHBondContact OE1-CE 3.47Å; E145-K149 WeakPolarHBondContact OE1-CG 3.17Å; V146-K149 PolarHBondContact O-N 3.42Å; K149-K152 WeakPolarHBondContact O-CB 3.21Å; K149-K152 PolarHBondContact O-N 3.43Å; K149-L153 PolarHBondContact O-N 3.41Å
150	A	87.5	Confident	83.4	Confident	2 Å²	2	83.8 Å²	83.8	2%	0.017	40%	0.397	C	S	.	.	H	α-helix	trans	-62.4	-45.6	174.9	0	0	0	0	0	112.1	R115 I118 V146 K152 L153 L154	R115-A150 HydrophobicContact CG-CB 3.84Å; I118-A150 HydrophobicContact CG1-CB 4.25Å; V146-A150 WeakPolarHBondContact O-CB 3.47Å; V146-A150 PolarHBondContact O-N 2.9Å; A150-K152 VanDerWaalsContact C-N 3.29Å; A150-K152 PolarHBondContact O-N 2.93Å; A150-L153 WeakPolarHBondContact O-CB 3.45Å; A150-L153 PolarHBondContact O-N 3.03Å; A150-L154 WeakPolarHBondContact O-CB 2.94Å; A150-L154 WeakPolarHBondContact O-CG 3.39Å; A150-L154 PolarHBondContact O-N 3.44Å
151	S	86.2	Confident	83.1	Confident	69 Å²	69	81.5 Å²	81.5	48%	0.483	38%	0.384	S	S	.	.	H	α-helix	trans	-60.6	-37.4	173.7	-66.6	0	0	0	0	112.4	K147 K148 R155	K147-S151 WeakPolarHBondContact O-CB 3.47Å; K147-S151 PolarHBondContact O-N 2.87Å; K147-S151 PolarHBondContact O-OG 3.3Å; K147-S151 VanDerWaalsContact O-OG 3.04Å; K148-S151 PolarHBondContact O-N 3.35Å; S151-R155 VanDerWaalsContact O-CB 3.25Å; S151-R155 WeakPolarHBondContact O-CB 3.45Å; S151-R155 PolarHBondContact O-N 3.45Å
152	K	87.9	Confident	82.8	Confident	125 Å²	125	85 Å²	85	54%	0.543	39%	0.389	S	S	.	.	H	α-helix	trans	-67.5	-39.6	175.6	-171.6	-179.6	-178.2	-179	0	112.1	K148 K149 A150 R156	K148-K152 WeakPolarHBondContact O-CB 3.09Å; K148-K152 PolarHBondContact O-N 2.86Å; K149-K152 WeakPolarHBondContact O-CB 3.21Å; K149-K152 PolarHBondContact O-N 3.43Å; A150-K152 VanDerWaalsContact C-N 3.29Å; A150-K152 PolarHBondContact O-N 2.93Å; K152-R156 WeakPolarHBondContact O-CG 3.24Å; K152-R156 PolarHBondContact O-N 2.94Å
153	L	85.3	Confident	82.6	Confident	48 Å²	48	87.3 Å²	87.3	25%	0.251	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-54.1	174.2	177	64.5	0	0	0	110.6	A114 I118 K149 A150 R155 R156 T157	A114-L153 HydrophobicContact CB-CD2 4.36Å; I118-L153 HydrophobicContact CD1-CB 4.4Å; I118-L153 HydrophobicContact CD1-CD2 4.01Å; I118-L153 HydrophobicContact CG1-CD2 4.09Å; K149-L153 PolarHBondContact O-N 3.41Å; A150-L153 WeakPolarHBondContact O-CB 3.45Å; A150-L153 PolarHBondContact O-N 3.03Å; L153-R155 VanDerWaalsContact C-N 3.29Å; L153-R155 PolarHBondContact O-N 3.24Å; L153-R156 WeakPolarHBondContact O-CA 3.42Å; L153-R156 WeakPolarHBondContact O-CB 3.38Å; L153-R156 PolarHBondContact O-N 3.19Å; L153-T157 HydrophobicContact CD1-CG2 4.01Å; L153-T157 HydrophobicContact CG-CG2 4.46Å; L153-T157 PolarHBondContact O-N 3.34Å; L153-T157 PolarHBondContact O-OG1 2.74Å
154	L	83.9	Confident	82.5	Confident	27 Å²	27	85.6 Å²	85.6	14%	0.141	40%	0.397	C	S	.	.	H	α-helix	trans	-58.3	-40.1	178.8	-71.1	170	0	0	0	112.1	A106 V111 A114 A150 R156 T157 R158	A106-L154 HydrophobicContact CB-CD2 4.2Å; V111-L154 HydrophobicContact CB-CD1 4.47Å; V111-L154 HydrophobicContact CG2-CD1 3.95Å; A114-L154 HydrophobicContact CB-CD1 4.15Å; A114-L154 HydrophobicContact CB-CD2 3.83Å; A114-L154 HydrophobicContact CB-CG 3.88Å; A150-L154 WeakPolarHBondContact O-CB 2.94Å; A150-L154 WeakPolarHBondContact O-CG 3.39Å; A150-L154 PolarHBondContact O-N 3.44Å; L154-R156 PolarHBondContact O-N 3.27Å; L154-T157 WeakPolarHBondContact CA-OG1 3.33Å; L154-T157 PolarHBondContact O-N 3.19Å; L154-T157 PolarHBondContact O-OG1 3.12Å; L154-R158 WeakPolarHBondContact O-CA 3.22Å; L154-R158 PolarHBondContact O-N 3.17Å
155	R	81	Confident	82.2	Confident	158 Å²	158	85 Å²	85	60%	0.596	40%	0.395	S	S	*	.	H	α-helix	trans	-60.1	-32.3	175.4	-173.6	174	172.3	-172.2	-2.3	112.7	S151 L153 N160	S151-R155 VanDerWaalsContact O-CB 3.25Å; S151-R155 WeakPolarHBondContact O-CB 3.45Å; S151-R155 PolarHBondContact O-N 3.45Å; L153-R155 VanDerWaalsContact C-N 3.29Å; L153-R155 PolarHBondContact O-N 3.24Å; R155-N160 HydrophobicContact CG-CB 3.83Å
156	R	77.4	Confident	82.4	Confident	191 Å²	191	82.6 Å²	82.6	72%	0.721	38%	0.383	S	S	*	.	H	α-helix	trans	-80.5	-40.3	177	-71.1	173.6	172.9	-178.7	-5.1	112.1	K152 L153 L154	K152-R156 WeakPolarHBondContact O-CG 3.24Å; K152-R156 PolarHBondContact O-N 2.94Å; L153-R156 WeakPolarHBondContact O-CA 3.42Å; L153-R156 WeakPolarHBondContact O-CB 3.38Å; L153-R156 PolarHBondContact O-N 3.19Å; L154-R156 PolarHBondContact O-N 3.27Å
157	T	72	Confident	82.7	Confident	94 Å²	94	89 Å²	89	58%	0.577	41%	0.41	S	S	*	.	H	α-helix	trans	-86.8	-40.7	-173.1	54.4	0	0	0	0	113.8	L153 L154	L153-T157 HydrophobicContact CD1-CG2 4.01Å; L153-T157 HydrophobicContact CG-CG2 4.46Å; L153-T157 PolarHBondContact O-N 3.34Å; L153-T157 PolarHBondContact O-OG1 2.74Å; L154-T157 WeakPolarHBondContact CA-OG1 3.33Å; L154-T157 PolarHBondContact O-N 3.19Å; L154-T157 PolarHBondContact O-OG1 3.12Å
158	R	66.9	Low	83	Confident	107 Å²	107	85.8 Å²	85.8	40%	0.404	40%	0.4	S	S	.	.	S	Bend	trans	-112.9	6.6	-172.1	-75.2	-81.3	-172.3	-141.3	-2	114.1	Q103 E110 L154	Q103-R158 WeakPolarHBondContact CB-O 3.34Å; E110-R158 IonicContact OE1-CZ 2.98Å; E110-R158 IonicContact OE1-NE 3.92Å; E110-R158 PolarHBondContact OE1-NE 2.92Å; E110-R158 IonicContact OE1-NH2 3.41Å; E110-R158 PolarHBondContact OE1-NH2 3.35Å; E110-R158 IonicContact OE2-NE 3.91Å; L154-R158 WeakPolarHBondContact O-CA 3.22Å; L154-R158 PolarHBondContact O-N 3.17Å
159	Y	66.2	Low	83.3	Confident	80 Å²	80	81.4 Å²	81.4	31%	0.314	38%	0.38	S	S	.	.			trans	70	153.2	-176.1	177.6	-94.1	0	0	0	114.1	W161	Y159-W161 VanDerWaalsContact C-N 3.34Å; Y159-W161 PolarHBondContact O-N 2.69Å
160	N	70.7	Confident	83.6	Confident	60 Å²	60	79.2 Å²	79.2	32%	0.321	37%	0.371	S	S	.	.			trans	-79.4	78.6	177.2	-165.4	31.4	0	0	0	110.3	R155 K162	R155-N160 HydrophobicContact CG-CB 3.83Å; N160-K162 PolarHBondContact O-N 2.68Å
161	W	82.3	Confident	84.1	Confident	48 Å²	48	82.3 Å²	82.3	18%	0.182	38%	0.384	C	S	.	.			trans	-58.4	130.7	177.9	-175	88.3	0	0	0	111	Y159 P163 A286 A289	Y159-W161 VanDerWaalsContact C-N 3.34Å; Y159-W161 PolarHBondContact O-N 2.69Å; W161-P163 HydrophobicContact CH2-CB 4.42Å; W161-P163 HydrophobicContact CH2-CG 3.67Å; W161-P163 HydrophobicContact CZ2-CG 4.46Å; W161-P163 HydrophobicContact CZ3-CG 3.85Å; W161-A286 PolarHBondContact NE1-O 2.79Å; W161-A289 HydrophobicContact CH2-CB 3.79Å; W161-A289 HydrophobicContact CZ3-CB 4.07Å
162	K	80.5	Confident	84.6	Confident	133 Å²	133	79.1 Å²	79.1	58%	0.578	36%	0.362	S	S	*	.			trans	-141.8	141.2	171.8	-70.7	-170.2	175.2	-170.2	0	108.4	R102 N160	R102-K162 PolarHBondContact NH1-O 2.79Å; R102-K162 PolarHBondContact NH2-O 2.76Å; N160-K162 PolarHBondContact O-N 2.68Å
163	P	81.4	Confident	85.1	Confident	83 Å²	83	73.1 Å²	73.1	54%	0.539	34%	0.336	S	S	.	.			trans	-52.3	142.6	172.1	-23.2	32.1	0	0	0	111.2	W161 D165	W161-P163 HydrophobicContact CH2-CB 4.42Å; W161-P163 HydrophobicContact CH2-CG 3.67Å; W161-P163 HydrophobicContact CZ2-CG 4.46Å; W161-P163 HydrophobicContact CZ3-CG 3.85Å; P163-D165 PolarHBondContact O-N 2.77Å
164	L	85.4	Confident	85.6	Confident	50 Å²	50	71.2 Å²	71.2	26%	0.262	33%	0.326	S	S	.	.			trans	-71.9	106.3	169.1	-67.2	176.4	0	0	0	108.7	L99 F166 Y175 E287	L99-L164 HydrophobicContact CD2-CD1 3.93Å; L99-L164 HydrophobicContact CD2-CD2 4.05Å; L164-F166 HydrophobicContact CB-CE2 3.95Å; L164-F166 HydrophobicContact CB-CZ 4.23Å; L164-F166 HydrophobicContact CD1-CE2 4.33Å; L164-F166 HydrophobicContact CD1-CZ 4.4Å; L164-F166 HydrophobicContact CD2-CZ 4.1Å; L164-F166 HydrophobicContact CG-CZ 4.47Å; L164-Y175 HydrophobicContact CD1-CE2 4.44Å; L164-E287 WeakPolarHBondContact CG-OE2 3.39Å
165	D	85.3	Confident	86.3	Confident	102 Å²	102	71.1 Å²	71.1	55%	0.545	33%	0.325	S	S	.	.			trans	-116	98.2	178	-177.5	24.7	0	0	0	109.7	P163 K167	P163-D165 PolarHBondContact O-N 2.77Å; D165-K167 WeakPolarHBondContact OD2-CE 3.44Å; D165-K167 IonicContact OD2-NZ 2.73Å
166	F	92.3	Very high	87.1	Confident	20 Å²	20	63.7 Å²	63.7	9%	0.088	30%	0.297	C	S	.	.			trans	-99.2	120	178.8	-59.1	-58	0	0	0	109.6	L95 L164 H171 Y175 N235 I238	L95-F166 HydrophobicContact CD2-CE1 4.34Å; L95-F166 HydrophobicContact CD2-CZ 4.21Å; L164-F166 HydrophobicContact CB-CE2 3.95Å; L164-F166 HydrophobicContact CB-CZ 4.23Å; L164-F166 HydrophobicContact CD1-CE2 4.33Å; L164-F166 HydrophobicContact CD1-CZ 4.4Å; L164-F166 HydrophobicContact CD2-CZ 4.1Å; L164-F166 HydrophobicContact CG-CZ 4.47Å; F166-H171 HydrophobicContact CB-CB 3.68Å; F166-H171 HydrophobicContact CD1-CB 3.63Å; F166-H171 HydrophobicContact CG-CB 3.98Å; F166-Y175 AromaticContact CE2-CD2 3.73Å; F166-Y175 HydrophobicContact CE2-CD2 3.73Å; F166-Y175 HydrophobicContact CE2-CE2 4.4Å; F166-Y175 AromaticContact CE2-CG 3.94Å; F166-Y175 HydrophobicContact CE2-CG 3.94Å; F166-Y175 AromaticContact CZ-CD2 3.77Å; F166-Y175 HydrophobicContact CZ-CD2 3.77Å; F166-Y175 HydrophobicContact CZ-CG 4.18Å; F166-N235 PolarHBondContact N-ND2 3.05Å; F166-N235 PolarHBondContact O-ND2 2.81Å; F166-I238 HydrophobicContact CD2-CD1 3.4Å; F166-I238 HydrophobicContact CD2-CG1 3.91Å; F166-I238 HydrophobicContact CE2-CD1 3.87Å
167	K	93.9	Very high	88	Confident	147 Å²	147	55.3 Å²	55.3	64%	0.639	27%	0.266	S	S	*	.			trans	-108.9	-1.7	-171.2	-59.3	-171.9	179.4	-172.4	0	114.7	D165	D165-K167 WeakPolarHBondContact OD2-CE 3.44Å; D165-K167 IonicContact OD2-NZ 2.73Å
168	T	96.5	Very high	89.1	Confident	46 Å²	46	51.1 Å²	51.1	28%	0.282	24%	0.241	S	C	.	.	S	Bend	trans	-141.3	156.8	-177.2	74	0	0	0	0	110.1	E170 H171 A172	T168-E170 PolarHBondContact O-N 2.95Å; T168-E170 PolarHBondContact OG1-OE2 3.24Å; T168-H171 PolarHBondContact N-ND1 2.99Å; T168-H171 WeakPolarHBondContact O-CB 3.49Å; T168-H171 PolarHBondContact O-N 3.36Å; T168-H171 PolarHBondContact OG1-N 3.41Å; T168-H171 PolarHBondContact OG1-ND1 3.21Å; T168-A172 PolarHBondContact O-N 3.36Å
169	R	96.3	Very high	90.5	Very high	50 Å²	50	46.9 Å²	46.9	19%	0.189	23%	0.225	C	C	.	.	H	α-helix	trans	-53.3	-40.8	172.8	-174.8	174.3	-175.5	71.3	3.1	112.9	S80 H171 A172 A173 E237 F241 D244	S80-R169 PolarHBondContact OG-NE 3.47Å; S80-R169 PolarHBondContact OG-NH2 3.44Å; R169-H171 VanDerWaalsContact C-N 3.3Å; R169-H171 PolarHBondContact O-N 3.27Å; R169-A172 WeakPolarHBondContact O-CB 3.41Å; R169-A172 PolarHBondContact O-N 3.23Å; R169-A172 VanDerWaalsContact O-N 3.17Å; R169-A173 WeakPolarHBondContact O-CB 3.48Å; R169-A173 PolarHBondContact O-N 3.3Å; R169-E237 WeakPolarHBondContact CA-OE2 3.15Å; R169-E237 PolarHBondContact N-OE2 3.01Å; R169-E237 VanDerWaalsContact N-OE2 3.07Å; R169-F241 HydrophobicContact CG-CD2 4.11Å; R169-D244 IonicContact CZ-OD2 3.44Å; R169-D244 IonicContact NH1-OD2 2.62Å; R169-D244 PolarHBondContact NH1-OD2 2.83Å; R169-D244 IonicContact NH2-OD2 2.81Å; R169-D244 PolarHBondContact NH2-OD2 2.83Å
170	E	97.2	Very high	91.9	Very high	24 Å²	24	43.1 Å²	43.1	11%	0.112	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-36.1	178.1	-68.8	72.9	-162.4	0	0	112.1	S82 R83 L88 T168 A172 A173 V174	S82-E170 PolarHBondContact N-OE1 2.98Å; S82-E170 PolarHBondContact OG-OE1 3.12Å; R83-E170 HydrophobicContact CB-CG 4.16Å; R83-E170 HydrophobicContact CG-CG 3.86Å; L88-E170 HydrophobicContact CD2-CB 3.95Å; L88-E170 HydrophobicContact CD2-CG 4.11Å; T168-E170 PolarHBondContact O-N 2.95Å; T168-E170 PolarHBondContact OG1-OE2 3.24Å; E170-A172 VanDerWaalsContact C-N 3.35Å; E170-A173 WeakPolarHBondContact O-CB 3.28Å; E170-A173 PolarHBondContact O-N 3.01Å; E170-V174 WeakPolarHBondContact O-CB 3.49Å; E170-V174 WeakPolarHBondContact O-CG2 3.32Å; E170-V174 PolarHBondContact O-N 3.17Å
171	H	96.7	Very high	93.1	Very high	66 Å²	66	40.6 Å²	40.6	31%	0.306	20%	0.197	S	C	.	.	H	α-helix	trans	-63.8	-41.9	173.7	-69.2	126.5	0	0	0	111.8	F166 T168 R169 V174 Y175	F166-H171 HydrophobicContact CB-CB 3.68Å; F166-H171 HydrophobicContact CD1-CB 3.63Å; F166-H171 HydrophobicContact CG-CB 3.98Å; T168-H171 PolarHBondContact N-ND1 2.99Å; T168-H171 WeakPolarHBondContact O-CB 3.49Å; T168-H171 PolarHBondContact O-N 3.36Å; T168-H171 PolarHBondContact OG1-N 3.41Å; T168-H171 PolarHBondContact OG1-ND1 3.21Å; R169-H171 VanDerWaalsContact C-N 3.3Å; R169-H171 PolarHBondContact O-N 3.27Å; H171-V174 PolarHBondContact O-N 3.35Å; H171-Y175 PolarHBondContact O-N 2.96Å
172	A	97.3	Very high	93.8	Very high	2 Å²	2	39 Å²	39	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-40.7	174.8	0	0	0	0	0	111.9	T168 R169 E170 Y175 A176 E237 I238 F241	T168-A172 PolarHBondContact O-N 3.36Å; R169-A172 WeakPolarHBondContact O-CB 3.41Å; R169-A172 PolarHBondContact O-N 3.23Å; R169-A172 VanDerWaalsContact O-N 3.17Å; E170-A172 VanDerWaalsContact C-N 3.35Å; A172-Y175 PolarHBondContact O-N 3.43Å; A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 2.98Å; A172-E237 HydrophobicContact CB-CB 4.22Å; A172-E237 WeakPolarHBondContact CB-O 3.14Å; A172-I238 HydrophobicContact CB-CG1 4.29Å; A172-F241 HydrophobicContact CB-CB 3.69Å; A172-F241 HydrophobicContact CB-CG 4.11Å
173	A	97.9	Very high	94.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-45	174.7	0	0	0	0	0	112.4	L78 L88 R169 E170 A176 L177 F241	L78-A173 HydrophobicContact CD2-CB 3.95Å; L88-A173 HydrophobicContact CD1-CB 4.44Å; L88-A173 HydrophobicContact CD2-CB 4.45Å; R169-A173 WeakPolarHBondContact O-CB 3.48Å; R169-A173 PolarHBondContact O-N 3.3Å; E170-A173 WeakPolarHBondContact O-CB 3.28Å; E170-A173 PolarHBondContact O-N 3.01Å; A173-A176 PolarHBondContact O-N 2.82Å; A173-L177 WeakPolarHBondContact O-CB 3.48Å; A173-L177 PolarHBondContact O-N 3Å; A173-F241 HydrophobicContact CB-CD2 4.18Å; A173-F241 HydrophobicContact CB-CE1 4.37Å; A173-F241 HydrophobicContact CB-CE2 3.5Å; A173-F241 VanDerWaalsContact CB-CE2 3.5Å; A173-F241 HydrophobicContact CB-CZ 3.61Å
174	V	97.7	Very high	95.3	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-43	176	167.2	0	0	0	0	111	L88 E91 A92 L95 E170 H171 A178	L88-V174 HydrophobicContact CB-CG2 4.45Å; L88-V174 HydrophobicContact CD2-CG2 3.85Å; E91-V174 HydrophobicContact CB-CG1 3.95Å; E91-V174 HydrophobicContact CB-CG2 3.67Å; A92-V174 HydrophobicContact CB-CG1 4.29Å; L95-V174 HydrophobicContact CB-CG1 4.07Å; L95-V174 HydrophobicContact CD2-CG1 3.79Å; E170-V174 WeakPolarHBondContact O-CB 3.49Å; E170-V174 WeakPolarHBondContact O-CG2 3.32Å; E170-V174 PolarHBondContact O-N 3.17Å; H171-V174 PolarHBondContact O-N 3.35Å; V174-A178 WeakPolarHBondContact O-CB 3.47Å; V174-A178 PolarHBondContact O-N 3.39Å
175	Y	97	Very high	95.8	Very high	26 Å²	26	26.8 Å²	26.8	10%	0.102	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-47.4	174.8	179.7	-101.7	0	0	0	111.9	L95 L99 L164 F166 H171 A172 L177 A178 R179 I238	L95-Y175 HydrophobicContact CD2-CD2 4.33Å; L99-Y175 HydrophobicContact CD1-CD2 4.38Å; L99-Y175 HydrophobicContact CD1-CE2 4.3Å; L164-Y175 HydrophobicContact CD1-CE2 4.44Å; F166-Y175 AromaticContact CE2-CD2 3.73Å; F166-Y175 HydrophobicContact CE2-CD2 3.73Å; F166-Y175 HydrophobicContact CE2-CE2 4.4Å; F166-Y175 AromaticContact CE2-CG 3.94Å; F166-Y175 HydrophobicContact CE2-CG 3.94Å; F166-Y175 AromaticContact CZ-CD2 3.77Å; F166-Y175 HydrophobicContact CZ-CD2 3.77Å; F166-Y175 HydrophobicContact CZ-CG 4.18Å; H171-Y175 PolarHBondContact O-N 2.96Å; A172-Y175 PolarHBondContact O-N 3.43Å; Y175-L177 PolarHBondContact O-N 3.39Å; Y175-A178 PolarHBondContact O-N 3.01Å; Y175-R179 HydrophobicContact CD2-CG 3.96Å; Y175-R179 HydrophobicContact CE1-CB 4.48Å; Y175-R179 HydrophobicContact CE2-CB 4.36Å; Y175-R179 HydrophobicContact CE2-CG 3.66Å; Y175-R179 WeakPolarHBondContact O-CB 2.97Å; Y175-R179 PolarHBondContact O-N 3.38Å; Y175-I238 HydrophobicContact CD1-CD1 4.46Å
176	A	97.6	Very high	96.3	Very high	1 Å²	1	22 Å²	22	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-46.1	177.9	0	0	0	0	0	111.8	L74 A172 A173 A178 R179 I180 F241	L74-A176 HydrophobicContact CD1-CB 4.03Å; A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 2.98Å; A173-A176 PolarHBondContact O-N 2.82Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 3.48Å; A176-R179 PolarHBondContact O-N 2.75Å; A176-I180 VanDerWaalsContact O-CB 3.26Å; A176-I180 WeakPolarHBondContact O-CB 3.38Å; A176-I180 WeakPolarHBondContact O-CG2 3.46Å; A176-I180 PolarHBondContact O-N 3.36Å; A176-F241 HydrophobicContact CB-CD1 3.83Å; A176-F241 HydrophobicContact CB-CE1 3.57Å
177	L	96.5	Very high	96.6	Very high	15 Å²	15	21.1 Å²	21.1	8%	0.079	10%	0.1	C	C	.	.	H	α-helix	trans	-60.2	-40	175	-83.9	172.2	0	0	0	113	L74 L78 L88 A92 A173 Y175 A425	L74-L177 HydrophobicContact CD2-CD2 4.23Å; L78-L177 HydrophobicContact CD1-CD1 4.19Å; L78-L177 HydrophobicContact CD1-CD2 3.76Å; L78-L177 HydrophobicContact CD1-CG 4.06Å; L78-L177 HydrophobicContact CD2-CD1 3.63Å; L78-L177 HydrophobicContact CD2-CG 3.92Å; L88-L177 HydrophobicContact CB-CD1 3.97Å; A92-L177 HydrophobicContact CB-CB 3.65Å; A173-L177 WeakPolarHBondContact O-CB 3.48Å; A173-L177 PolarHBondContact O-N 3Å; Y175-L177 PolarHBondContact O-N 3.39Å; L177-A425 HydrophobicContact CD1-CB 3.91Å; L177-A425 HydrophobicContact CD2-CB 3.86Å
178	A	95.9	Very high	96.6	Very high	6 Å²	6	14.6 Å²	14.6	5%	0.05	7%	0.072	C	C	.	.	H	α-helix	trans	-71.7	-30.9	179.7	0	0	0	0	0	112.8	A92 L95 K96 V174 Y175 A176	A92-A178 HydrophobicContact CB-CB 4.23Å; L95-A178 HydrophobicContact CD2-CB 4.37Å; K96-A178 HydrophobicContact CB-CB 4.35Å; V174-A178 WeakPolarHBondContact O-CB 3.47Å; V174-A178 PolarHBondContact O-N 3.39Å; Y175-A178 PolarHBondContact O-N 3.01Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 3.48Å
179	R	95.6	Very high	96.5	Very high	18 Å²	18	13.1 Å²	13.1	7%	0.068	6%	0.061	C	C	.	.	H	α-helix	trans	-122.4	-23.7	-161.8	-62.5	-53	-57.9	-132.1	13.2	116.9	L99 Y175 A176 V181 P182 N183 R283	L99-R179 HydrophobicContact CD1-CG 3.82Å; Y175-R179 HydrophobicContact CD2-CG 3.96Å; Y175-R179 HydrophobicContact CE1-CB 4.48Å; Y175-R179 HydrophobicContact CE2-CB 4.36Å; Y175-R179 HydrophobicContact CE2-CG 3.66Å; Y175-R179 WeakPolarHBondContact O-CB 2.97Å; Y175-R179 PolarHBondContact O-N 3.38Å; A176-R179 PolarHBondContact O-N 2.75Å; R179-V181 PolarHBondContact O-N 3.1Å; R179-P182 VanDerWaalsContact O-CD 3.3Å; R179-P182 WeakPolarHBondContact O-CD 3.47Å; R179-P182 VanDerWaalsContact O-CG 3.32Å; R179-P182 WeakPolarHBondContact O-CG 3.44Å; R179-N183 VanDerWaalsContact CZ-OD1 3.32Å; R179-N183 PolarHBondContact NE-OD1 3.46Å; R179-N183 PolarHBondContact NH2-OD1 3.01Å; R179-N183 WeakPolarHBondContact O-CB 3.28Å; R179-N183 PolarHBondContact O-N 2.69Å; R179-N183 PolarHBondContact O-OD1 3.36Å; R179-R283 VanDerWaalsContact NH2-CZ 3.34Å
180	I	96.7	Very high	96.5	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-59.6	-44.1	-169.8	-166.1	171.2	0	0	0	113.1	L66 L74 A176 Y184 S211 A213 V245	L66-I180 HydrophobicContact CD1-CG1 4.35Å; L66-I180 HydrophobicContact CD2-CD1 4.21Å; L66-I180 HydrophobicContact CD2-CG1 4.29Å; L66-I180 HydrophobicContact CD2-CG2 4.26Å; L74-I180 HydrophobicContact CD2-CG2 4Å; A176-I180 VanDerWaalsContact O-CB 3.26Å; A176-I180 WeakPolarHBondContact O-CB 3.38Å; A176-I180 WeakPolarHBondContact O-CG2 3.46Å; A176-I180 PolarHBondContact O-N 3.36Å; I180-Y184 WeakPolarHBondContact O-CB 3.08Å; I180-Y184 PolarHBondContact O-N 2.63Å; I180-S211 VanDerWaalsContact CA-OG 3.31Å; I180-S211 WeakPolarHBondContact CA-OG 3.47Å; I180-A213 HydrophobicContact CG1-CB 4.34Å; I180-A213 WeakPolarHBondContact O-CB 3.34Å; I180-V245 HydrophobicContact CD1-CG1 3.93Å
181	V	95.8	Very high	96.4	Very high	8 Å²	8	9.6 Å²	9.6	5%	0.048	5%	0.047	C	C	.	.	H	α-helix	trans	-72.1	-53.5	-179.1	-171.7	0	0	0	0	113.1	L66 R179 N183 Y184 A185 W420 N421 L423	L66-V181 HydrophobicContact CD2-CG2 4.3Å; R179-V181 PolarHBondContact O-N 3.1Å; V181-N183 VanDerWaalsContact C-N 3.31Å; V181-N183 PolarHBondContact O-N 3.22Å; V181-Y184 PolarHBondContact O-N 2.96Å; V181-A185 PolarHBondContact O-N 3.27Å; V181-W420 HydrophobicContact CG1-CB 3.75Å; V181-W420 VanDerWaalsContact CG1-CD1 3.43Å; V181-W420 HydrophobicContact CG1-CG 3.74Å; V181-N421 WeakPolarHBondContact CG1-O 3.4Å; V181-L423 HydrophobicContact CG2-CB 3.66Å; V181-L423 HydrophobicContact CG2-CD2 4.11Å
182	P	95.5	Very high	96.2	Very high	13 Å²	13	6.5 Å²	6.5	8%	0.084	3%	0.032	C	C	.	.	H	α-helix	trans	-59.3	-43	177.5	19.5	-31.1	0	0	0	111.8	R179 Y184 A185 E186 W420	R179-P182 VanDerWaalsContact O-CD 3.3Å; R179-P182 WeakPolarHBondContact O-CD 3.47Å; R179-P182 VanDerWaalsContact O-CG 3.32Å; R179-P182 WeakPolarHBondContact O-CG 3.44Å; P182-Y184 PolarHBondContact O-N 3.1Å; P182-A185 PolarHBondContact O-N 3Å; P182-E186 VanDerWaalsContact O-CG 3.3Å; P182-E186 WeakPolarHBondContact O-CG 3.18Å; P182-E186 PolarHBondContact O-N 3.27Å; P182-W420 HydrophobicContact CB-CD2 4.25Å; P182-W420 HydrophobicContact CB-CE3 4.46Å; P182-W420 HydrophobicContact CB-CH2 3.7Å; P182-W420 HydrophobicContact CB-CZ2 3.52Å; P182-W420 HydrophobicContact CB-CZ3 4.19Å; P182-W420 HydrophobicContact CG-CZ2 4.46Å
183	N	97	Very high	96	Very high	6 Å²	6	6.6 Å²	6.6	3%	0.032	3%	0.033	C	C	.	.	H	α-helix	trans	-63.4	-42.8	179.9	-67.5	13.6	0	0	0	111.1	R179 V181 A185 E186 V187 A213 H282	R179-N183 VanDerWaalsContact CZ-OD1 3.32Å; R179-N183 PolarHBondContact NE-OD1 3.46Å; R179-N183 PolarHBondContact NH2-OD1 3.01Å; R179-N183 WeakPolarHBondContact O-CB 3.28Å; R179-N183 PolarHBondContact O-N 2.69Å; R179-N183 PolarHBondContact O-OD1 3.36Å; V181-N183 VanDerWaalsContact C-N 3.31Å; V181-N183 PolarHBondContact O-N 3.22Å; N183-A185 VanDerWaalsContact C-N 3.28Å; N183-A185 PolarHBondContact O-N 3.03Å; N183-E186 PolarHBondContact O-N 3.14Å; N183-V187 VanDerWaalsContact O-CG2 3.25Å; N183-V187 WeakPolarHBondContact O-CG2 3.42Å; N183-V187 PolarHBondContact O-N 3.44Å; N183-A213 HydrophobicContact CB-CB 3.45Å; N183-A213 VanDerWaalsContact CB-CB 3.45Å; N183-H282 WeakPolarHBondContact CB-CE1 3.4Å; N183-H282 PolarHBondContact ND2-ND1 2.91Å; N183-H282 PolarHBondContact OD1-CE1 3.39Å
184	Y	97.4	Very high	95.7	Very high	4 Å²	4	6.7 Å²	6.7	2%	0.016	3%	0.033	C	C	.	.	H	α-helix	trans	-58.9	-43.1	176	165.3	-97.2	0	0	0	111	Y62 V65 L66 P67 I180 V181 P182 H188 W216 A217 E220	Y62-Y184 AromaticContact CE2-CE1 3.95Å; Y62-Y184 HydrophobicContact CE2-CE1 3.95Å; Y62-Y184 WeakPolarHBondContact OH-CD1 3.46Å; Y62-Y184 WeakPolarHBondContact OH-CE1 3.46Å; V65-Y184 VanDerWaalsContact O-CE1 3.26Å; V65-Y184 WeakPolarHBondContact O-CE1 3.24Å; L66-Y184 HydrophobicContact CD1-CD1 3.98Å; L66-Y184 HydrophobicContact CD1-CD2 3.97Å; L66-Y184 HydrophobicContact CD1-CG 3.61Å; P67-Y184 HydrophobicContact CG-CE2 3.93Å; I180-Y184 WeakPolarHBondContact O-CB 3.08Å; I180-Y184 PolarHBondContact O-N 2.63Å; V181-Y184 PolarHBondContact O-N 2.96Å; P182-Y184 PolarHBondContact O-N 3.1Å; Y184-H188 HydrophobicContact CE2-CB 4.5Å; Y184-H188 WeakPolarHBondContact O-CB 3.33Å; Y184-H188 PolarHBondContact O-N 2.84Å; Y184-W216 HydrophobicContact CD2-CB 3.95Å; Y184-W216 HydrophobicContact CE2-CB 4.34Å; Y184-A217 HydrophobicContact CD2-CB 3.86Å; Y184-A217 HydrophobicContact CE2-CB 4.13Å; Y184-E220 HydrophobicContact CE2-CB 4.44Å
185	A	96.1	Very high	95.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.4	-38.8	-179.2	0	0	0	0	0	113.8	Y62 V181 P182 N183 F189 T418 W420	Y62-A185 HydrophobicContact CE1-CB 3.84Å; Y62-A185 WeakPolarHBondContact OH-CA 3.49Å; Y62-A185 WeakPolarHBondContact OH-CB 3.37Å; V181-A185 PolarHBondContact O-N 3.27Å; P182-A185 PolarHBondContact O-N 3Å; N183-A185 VanDerWaalsContact C-N 3.28Å; N183-A185 PolarHBondContact O-N 3.03Å; A185-F189 WeakPolarHBondContact O-CB 3.42Å; A185-F189 PolarHBondContact O-N 3.28Å; A185-F189 VanDerWaalsContact O-N 3.09Å; A185-T418 HydrophobicContact CB-CG2 3.88Å; A185-W420 HydrophobicContact CB-CB 3.96Å; A185-W420 HydrophobicContact CB-CD2 4.28Å; A185-W420 HydrophobicContact CB-CE3 3.73Å; A185-W420 HydrophobicContact CB-CG 4.41Å
186	E	96.1	Very high	94.5	Very high	3 Å²	3	12.8 Å²	12.8	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-66.9	-51.3	175.5	-66.5	175.1	173.3	0	0	110.8	P182 N183 H188 F189 V190 H282 R283 T418 F439	P182-E186 VanDerWaalsContact O-CG 3.3Å; P182-E186 WeakPolarHBondContact O-CG 3.18Å; P182-E186 PolarHBondContact O-N 3.27Å; N183-E186 PolarHBondContact O-N 3.14Å; E186-H188 PolarHBondContact O-N 2.85Å; E186-F189 WeakPolarHBondContact O-CB 3.4Å; E186-F189 PolarHBondContact O-N 2.84Å; E186-V190 WeakPolarHBondContact O-CG2 3.34Å; E186-V190 PolarHBondContact O-N 3.42Å; E186-H282 IonicContact OE2-CE1 3.01Å; E186-H282 PolarHBondContact OE2-CE1 3.26Å; E186-H282 VanDerWaalsContact OE2-CE1 3.3Å; E186-H282 IonicContact OE2-NE2 3.96Å; E186-H282 PolarHBondContact OE2-NE2 2.98Å; E186-R283 IonicContact OE1-CZ 2.69Å; E186-R283 IonicContact OE1-NE 2.64Å; E186-R283 IonicContact OE1-NH2 3.67Å; E186-R283 PolarHBondContact OE1-NH2 2.78Å; E186-R283 IonicContact OE2-CZ 3Å; E186-R283 IonicContact OE2-NE 2.69Å; E186-R283 PolarHBondContact OE2-NE 3.4Å; E186-R283 IonicContact OE2-NH2 3.35Å; E186-R283 PolarHBondContact OE2-NH2 3.36Å; E186-T418 HydrophobicContact CG-CG2 4.13Å; E186-F439 HydrophobicContact CB-CD1 4.15Å; E186-F439 HydrophobicContact CB-CD2 4.44Å; E186-F439 HydrophobicContact CB-CE1 4.31Å; E186-F439 HydrophobicContact CB-CG 4.2Å; E186-F439 HydrophobicContact CG-CB 4.24Å; E186-F439 HydrophobicContact CG-CD1 3.56Å; E186-F439 HydrophobicContact CG-CE1 4.01Å; E186-F439 HydrophobicContact CG-CG 3.89Å
187	V	97.2	Very high	93.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.7	-46.3	-179.2	-178.9	0	0	0	0	110.5	N183 F189 V190 L191 A214 A217 I280 H282 I312	N183-V187 VanDerWaalsContact O-CG2 3.25Å; N183-V187 WeakPolarHBondContact O-CG2 3.42Å; N183-V187 PolarHBondContact O-N 3.44Å; V187-F189 VanDerWaalsContact C-N 3.28Å; V187-F189 PolarHBondContact O-N 3.49Å; V187-V190 PolarHBondContact O-N 3.4Å; V187-L191 HydrophobicContact CG1-CD1 3.88Å; V187-L191 HydrophobicContact CG1-CG 3.93Å; V187-L191 WeakPolarHBondContact O-CG 3.4Å; V187-L191 PolarHBondContact O-N 3.1Å; V187-A214 HydrophobicContact CB-CB 4.48Å; V187-A214 HydrophobicContact CG1-CB 4.05Å; V187-A214 HydrophobicContact CG2-CB 3.92Å; V187-A217 HydrophobicContact CB-CB 3.76Å; V187-A217 HydrophobicContact CG1-CB 3.62Å; V187-I280 HydrophobicContact CG1-CD1 4.4Å; V187-I280 HydrophobicContact CG1-CG2 4.25Å; V187-H282 HydrophobicContact CG2-CB 4.13Å; V187-H282 VanDerWaalsContact CG2-CD2 3.43Å; V187-H282 WeakPolarHBondContact CG2-CD2 3.42Å; V187-I312 HydrophobicContact CB-CD1 4.31Å; V187-I312 HydrophobicContact CG1-CD1 4.43Å; V187-I312 HydrophobicContact CG2-CD1 4.01Å
188	H	95.6	Very high	93.5	Very high	11 Å²	11	17.8 Å²	17.8	5%	0.051	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-35.5	179	-170.8	89.5	0	0	0	112	Y62 Y184 E186 V190 Q192 A217	Y62-H188 AromaticContact CD2-CD2 3.18Å; Y62-H188 WeakPolarHBondContact CD2-CD2 3.37Å; Y62-H188 AromaticContact CD2-NE2 3.77Å; Y62-H188 HydrophobicContact CE2-CB 4.02Å; Y62-H188 AromaticContact CE2-CD2 3.36Å; Y62-H188 WeakPolarHBondContact CE2-CD2 3.44Å; Y62-H188 AromaticContact CE2-CG 3.79Å; Y184-H188 HydrophobicContact CE2-CB 4.5Å; Y184-H188 WeakPolarHBondContact O-CB 3.33Å; Y184-H188 PolarHBondContact O-N 2.84Å; E186-H188 PolarHBondContact O-N 2.85Å; H188-V190 VanDerWaalsContact C-N 3.31Å; H188-V190 PolarHBondContact O-N 3.3Å; H188-Q192 PolarHBondContact CD2-NE2 3.32Å; H188-Q192 VanDerWaalsContact CD2-NE2 3.3Å; H188-Q192 PolarHBondContact NE2-NE2 3.13Å; H188-Q192 VanDerWaalsContact NE2-NE2 3.17Å; H188-Q192 VanDerWaalsContact O-CG 3.29Å; H188-Q192 WeakPolarHBondContact O-CG 3.49Å; H188-Q192 PolarHBondContact O-N 3.45Å; H188-A217 HydrophobicContact CB-CB 3.92Å
189	F	94.1	Very high	93.4	Very high	15 Å²	15	20.2 Å²	20.2	7%	0.066	11%	0.111	C	C	.	.	H	α-helix	trans	-59.5	-43	172.8	177.4	-76.8	0	0	0	111.9	A185 E186 V187 Q192 F416 F439 Y441 R502	A185-F189 WeakPolarHBondContact O-CB 3.42Å; A185-F189 PolarHBondContact O-N 3.28Å; A185-F189 VanDerWaalsContact O-N 3.09Å; E186-F189 WeakPolarHBondContact O-CB 3.4Å; E186-F189 PolarHBondContact O-N 2.84Å; V187-F189 VanDerWaalsContact C-N 3.28Å; V187-F189 PolarHBondContact O-N 3.49Å; F189-Q192 WeakPolarHBondContact O-CB 3.49Å; F189-F416 HydrophobicContact CE1-CB 4.23Å; F189-F416 HydrophobicContact CE1-CD1 4.19Å; F189-F416 HydrophobicContact CE1-CG 4.36Å; F189-F416 HydrophobicContact CZ-CB 4.35Å; F189-F416 HydrophobicContact CZ-CD1 4.26Å; F189-F439 HydrophobicContact CB-CZ 3.95Å; F189-F439 HydrophobicContact CD1-CE2 4.07Å; F189-F439 AromaticContact CD1-CZ 3.49Å; F189-F439 HydrophobicContact CD1-CZ 3.49Å; F189-F439 VanDerWaalsContact CD1-CZ 3.49Å; F189-F439 HydrophobicContact CD2-CZ 4.49Å; F189-F439 HydrophobicContact CE1-CZ 4.08Å; F189-F439 AromaticContact CG-CZ 3.74Å; F189-F439 HydrophobicContact CG-CZ 3.74Å; F189-Y441 HydrophobicContact CE1-CE1 4.21Å; F189-R502 VanDerWaalsContact CE2-NH2 3.33Å
190	V	95.5	Very high	93.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-73.4	-44.3	-177.5	175.5	0	0	0	0	111.2	E186 V187 H188 Q192 E193 V310 I312 F439 Y441 I443	E186-V190 WeakPolarHBondContact O-CG2 3.34Å; E186-V190 PolarHBondContact O-N 3.42Å; V187-V190 PolarHBondContact O-N 3.4Å; H188-V190 VanDerWaalsContact C-N 3.31Å; H188-V190 PolarHBondContact O-N 3.3Å; V190-Q192 PolarHBondContact O-N 3.4Å; V190-Q192 VanDerWaalsContact O-N 3.1Å; V190-E193 WeakPolarHBondContact O-CB 3.35Å; V190-E193 WeakPolarHBondContact O-CG 3.29Å; V190-E193 PolarHBondContact O-N 3.46Å; V190-V310 HydrophobicContact CG1-CG1 3.69Å; V190-I312 HydrophobicContact CB-CD1 3.76Å; V190-I312 HydrophobicContact CB-CG1 4.39Å; V190-I312 HydrophobicContact CG1-CD1 3.98Å; V190-I312 HydrophobicContact CG1-CG1 4.25Å; V190-I312 HydrophobicContact CG2-CD1 3.73Å; V190-I312 HydrophobicContact CG2-CG1 4.04Å; V190-F439 HydrophobicContact CG2-CD2 4.45Å; V190-F439 HydrophobicContact CG2-CE2 3.6Å; V190-F439 HydrophobicContact CG2-CZ 4.37Å; V190-Y441 HydrophobicContact CB-CD2 4.39Å; V190-Y441 HydrophobicContact CB-CG 4.5Å; V190-Y441 HydrophobicContact CG1-CD2 3.57Å; V190-Y441 HydrophobicContact CG1-CE2 3.94Å; V190-Y441 HydrophobicContact CG1-CG 4.07Å; V190-Y441 HydrophobicContact CG2-CD1 3.75Å; V190-Y441 HydrophobicContact CG2-CD2 3.93Å; V190-Y441 HydrophobicContact CG2-CE1 4.22Å; V190-Y441 HydrophobicContact CG2-CE2 4.38Å; V190-Y441 HydrophobicContact CG2-CG 3.58Å; V190-I443 HydrophobicContact CG1-CD1 3.72Å; V190-I443 HydrophobicContact CG1-CG1 4Å
191	L	95.8	Very high	93.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-19.5	178.7	-64.2	-172.7	0	0	0	113.1	V187 E193 F194 A217 A218 Q221 W222 I280	V187-L191 HydrophobicContact CG1-CD1 3.88Å; V187-L191 HydrophobicContact CG1-CG 3.93Å; V187-L191 WeakPolarHBondContact O-CG 3.4Å; V187-L191 PolarHBondContact O-N 3.1Å; L191-E193 PolarHBondContact O-N 3.35Å; L191-F194 HydrophobicContact CB-CD2 4.42Å; L191-F194 HydrophobicContact CD2-CD2 4.06Å; L191-F194 HydrophobicContact CD2-CE2 3.71Å; L191-F194 WeakPolarHBondContact O-CB 3.43Å; L191-F194 WeakPolarHBondContact O-CD2 3.22Å; L191-F194 PolarHBondContact O-N 3.09Å; L191-F194 VanDerWaalsContact O-N 3.12Å; L191-A217 HydrophobicContact CD1-CB 4.23Å; L191-A218 HydrophobicContact CD1-CB 3.91Å; L191-Q221 HydrophobicContact CB-CG 4.44Å; L191-Q221 PolarHBondContact O-NE2 3.1Å; L191-W222 HydrophobicContact CD1-CH2 4.19Å; L191-W222 HydrophobicContact CD1-CZ3 4.04Å; L191-W222 HydrophobicContact CD2-CH2 3.78Å; L191-W222 HydrophobicContact CD2-CZ3 4.35Å; L191-W222 HydrophobicContact CG-CH2 4.45Å; L191-I280 HydrophobicContact CD1-CD1 4.14Å; L191-I280 HydrophobicContact CD2-CD1 4.01Å
192	Q	92.4	Very high	93.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.9	171.9	-78.8	174.1	-0.3	0	0	113.9	L60 H188 F189 V190 F194 K195	L60-Q192 HydrophobicContact CD1-CB 4.07Å; L60-Q192 HydrophobicContact CD2-CB 3.82Å; L60-Q192 HydrophobicContact CD2-CG 4Å; L60-Q192 HydrophobicContact CG-CB 4.5Å; H188-Q192 PolarHBondContact CD2-NE2 3.32Å; H188-Q192 VanDerWaalsContact CD2-NE2 3.3Å; H188-Q192 PolarHBondContact NE2-NE2 3.13Å; H188-Q192 VanDerWaalsContact NE2-NE2 3.17Å; H188-Q192 VanDerWaalsContact O-CG 3.29Å; H188-Q192 WeakPolarHBondContact O-CG 3.49Å; H188-Q192 PolarHBondContact O-N 3.45Å; F189-Q192 WeakPolarHBondContact O-CB 3.49Å; V190-Q192 PolarHBondContact O-N 3.4Å; V190-Q192 VanDerWaalsContact O-N 3.1Å; Q192-F194 PolarHBondContact O-N 2.97Å; Q192-K195 HydrophobicContact CG-CD 4.36Å; Q192-K195 WeakPolarHBondContact O-CB 3.03Å; Q192-K195 PolarHBondContact O-N 3.37Å
193	E	92	Very high	93.8	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.023	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.7	173	-60.9	-64.6	133.7	0	0	111	V190 L191 K195 N196 F394 A395 Y441 I443 R457 R502	V190-E193 WeakPolarHBondContact O-CB 3.35Å; V190-E193 WeakPolarHBondContact O-CG 3.29Å; V190-E193 PolarHBondContact O-N 3.46Å; L191-E193 PolarHBondContact O-N 3.35Å; E193-K195 VanDerWaalsContact C-N 3.31Å; E193-K195 PolarHBondContact O-N 2.94Å; E193-N196 PolarHBondContact O-N 3.38Å; E193-F394 HydrophobicContact CB-CE1 3.94Å; E193-A395 HydrophobicContact CB-CB 4.41Å; E193-A395 HydrophobicContact CG-CB 4.05Å; E193-Y441 HydrophobicContact CG-CE2 4.41Å; E193-Y441 PolarHBondContact OE1-OH 2.88Å; E193-I443 HydrophobicContact CB-CD1 4.19Å; E193-I443 HydrophobicContact CG-CD1 4.43Å; E193-R457 IonicContact OE1-NH1 3.59Å; E193-R457 PolarHBondContact OE1-NH1 2.96Å; E193-R457 IonicContact OE2-CZ 3.43Å; E193-R457 IonicContact OE2-NH1 2.95Å; E193-R457 PolarHBondContact OE2-NH1 2.94Å; E193-R457 IonicContact OE2-NH2 2.89Å; E193-R457 PolarHBondContact OE2-NH2 3.48Å; E193-R502 IonicContact OE1-NH1 3.6Å; E193-R502 PolarHBondContact OE1-NH1 3.29Å
194	F	93	Very high	93.9	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	15%	0.147	C	C	.	.	H	α-helix	trans	-74	-14.2	173.3	-57.6	-64.6	0	0	0	114.2	L191 Q192 N196 N197 G198 Y199 W222 Y308 V310 F394 I443	L191-F194 HydrophobicContact CB-CD2 4.42Å; L191-F194 HydrophobicContact CD2-CD2 4.06Å; L191-F194 HydrophobicContact CD2-CE2 3.71Å; L191-F194 WeakPolarHBondContact O-CB 3.43Å; L191-F194 WeakPolarHBondContact O-CD2 3.22Å; L191-F194 PolarHBondContact O-N 3.09Å; L191-F194 VanDerWaalsContact O-N 3.12Å; Q192-F194 PolarHBondContact O-N 2.97Å; F194-N196 PolarHBondContact O-N 3.23Å; F194-N197 WeakPolarHBondContact CA-OD1 3.35Å; F194-N197 PolarHBondContact O-OD1 3.1Å; F194-G198 PolarHBondContact O-N 2.93Å; F194-Y199 HydrophobicContact CD1-CD1 4.3Å; F194-Y199 PolarHBondContact O-N 3.25Å; F194-W222 HydrophobicContact CB-CZ2 4.25Å; F194-W222 AromaticContact CD2-CH2 3.99Å; F194-W222 HydrophobicContact CD2-CH2 3.99Å; F194-W222 AromaticContact CD2-CZ2 3.53Å; F194-W222 HydrophobicContact CD2-CZ2 3.53Å; F194-W222 HydrophobicContact CE2-CH2 4.15Å; F194-W222 HydrophobicContact CE2-CZ2 4.11Å; F194-W222 HydrophobicContact CG-CZ2 4.01Å; F194-Y308 HydrophobicContact CD1-CD2 4.29Å; F194-Y308 HydrophobicContact CD1-CE2 4.15Å; F194-Y308 AromaticContact CE1-CD1 3.81Å; F194-Y308 HydrophobicContact CE1-CD1 3.81Å; F194-Y308 AromaticContact CE1-CD2 3.46Å; F194-Y308 HydrophobicContact CE1-CD2 3.46Å; F194-Y308 VanDerWaalsContact CE1-CD2 3.46Å; F194-Y308 HydrophobicContact CE1-CE1 4.01Å; F194-Y308 AromaticContact CE1-CE2 3.68Å; F194-Y308 HydrophobicContact CE1-CE2 3.68Å; F194-Y308 AromaticContact CE1-CG 3.53Å; F194-Y308 HydrophobicContact CE1-CG 3.53Å; F194-Y308 AromaticContact CE1-CZ 3.96Å; F194-Y308 HydrophobicContact CZ-CD1 4.35Å; F194-Y308 HydrophobicContact CZ-CD2 4.09Å; F194-Y308 AromaticContact CZ-CG 3.9Å; F194-Y308 HydrophobicContact CZ-CG 3.9Å; F194-V310 HydrophobicContact CE2-CG2 4.09Å; F194-V310 HydrophobicContact CZ-CG2 3.98Å; F194-F394 HydrophobicContact CD1-CE1 4.06Å; F194-F394 HydrophobicContact CD1-CZ 4.37Å; F194-F394 HydrophobicContact CE1-CD1 4.35Å; F194-F394 AromaticContact CE1-CE1 3.98Å; F194-F394 HydrophobicContact CE1-CE1 3.98Å; F194-I443 HydrophobicContact CE2-CD1 4.38Å; F194-I443 HydrophobicContact CZ-CD1 4.19Å; F194-I443 HydrophobicContact CZ-CG2 4.1Å
195	K	88.1	Confident	94	Very high	85 Å²	85	27.3 Å²	27.3	37%	0.37	15%	0.146	S	C	.	.	H	α-helix	trans	-67.5	-25.2	172.8	-65.4	-167	177.8	-178.6	0	111.8	V58 L60 Q192 E193 Q221	V58-K195 HydrophobicContact CG1-CB 4.23Å; L60-K195 HydrophobicContact CD2-CB 4.14Å; L60-K195 HydrophobicContact CD2-CD 3.73Å; L60-K195 HydrophobicContact CD2-CG 4.33Å; Q192-K195 HydrophobicContact CG-CD 4.36Å; Q192-K195 WeakPolarHBondContact O-CB 3.03Å; Q192-K195 PolarHBondContact O-N 3.37Å; E193-K195 VanDerWaalsContact C-N 3.31Å; E193-K195 PolarHBondContact O-N 2.94Å; K195-Q221 VanDerWaalsContact CG-NE2 3.3Å
196	N	79.6	Confident	94.1	Very high	75 Å²	75	27.5 Å²	27.5	40%	0.401	15%	0.148	S	C	.	.	H	α-helix	trans	-73	-37.6	-177.2	-64.4	-18.7	0	0	0	111.8	E193 F194	E193-N196 PolarHBondContact O-N 3.38Å; F194-N196 PolarHBondContact O-N 3.23Å
197	N	84.7	Confident	94.2	Very high	68 Å²	68	29.4 Å²	29.4	36%	0.364	16%	0.155	S	C	.	.	H	α-helix	trans	-97	-9.3	177.3	67.6	3.4	0	0	0	113.7	F194 Y199 Y308 F394	F194-N197 WeakPolarHBondContact CA-OD1 3.35Å; F194-N197 PolarHBondContact O-OD1 3.1Å; N197-Y199 PolarHBondContact O-N 3.03Å; N197-Y199 WeakPolarHBondContact OD1-CB 3.48Å; N197-Y199 PolarHBondContact OD1-N 2.97Å; N197-Y308 PolarHBondContact ND2-OH 3.14Å; N197-F394 WeakPolarHBondContact ND2-CE2 3.26Å; N197-F394 WeakPolarHBondContact ND2-CZ 3.44Å
198	G	88.7	Confident	94.1	Very high	53 Å²	53	30.1 Å²	30.1	55%	0.546	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	17.7	-179.7	0	0	0	0	0	114	F194	F194-G198 PolarHBondContact O-N 2.93Å
199	Y	94.9	Very high	94.2	Very high	58 Å²	58	29.8 Å²	29.8	23%	0.227	16%	0.161	C	C	.	.			trans	-69.5	134.9	-178	-176.5	-102	0	0	0	112.1	F194 N197 P201 W222 D277 V278 K307 Y308	F194-Y199 HydrophobicContact CD1-CD1 4.3Å; F194-Y199 PolarHBondContact O-N 3.25Å; N197-Y199 PolarHBondContact O-N 3.03Å; N197-Y199 WeakPolarHBondContact OD1-CB 3.48Å; N197-Y199 PolarHBondContact OD1-N 2.97Å; Y199-P201 HydrophobicContact CE1-CB 4.06Å; Y199-W222 PolarHBondContact O-NE1 3.33Å; Y199-W222 VanDerWaalsContact O-NE1 3.09Å; Y199-D277 WeakPolarHBondContact OH-CB 3.19Å; Y199-V278 HydrophobicContact CE1-CG2 3.98Å; Y199-K307 HydrophobicContact CE2-CG 4.28Å; Y199-K307 WeakPolarHBondContact OH-CB 3.18Å; Y199-Y308 AromaticContact CD1-CD2 3.81Å; Y199-Y308 HydrophobicContact CD1-CD2 3.81Å; Y199-Y308 AromaticContact CD1-CE2 3.48Å; Y199-Y308 HydrophobicContact CD1-CE2 3.48Å; Y199-Y308 VanDerWaalsContact CD1-CE2 3.48Å; Y199-Y308 HydrophobicContact CD2-CE2 4.17Å; Y199-Y308 AromaticContact CE1-CD2 3.6Å; Y199-Y308 HydrophobicContact CE1-CD2 3.6Å; Y199-Y308 AromaticContact CE1-CE2 3.59Å; Y199-Y308 HydrophobicContact CE1-CE2 3.59Å; Y199-Y308 HydrophobicContact CE2-CE2 4.29Å; Y199-Y308 AromaticContact CG-CE2 3.77Å; Y199-Y308 HydrophobicContact CG-CE2 3.77Å
200	I	96.9	Very high	94.2	Very high	71 Å²	71	29.2 Å²	29.2	36%	0.364	16%	0.159	S	C	.	.			trans	-128.6	115.5	177.7	-57	160.6	0	0	0	107.2	R225	I200-R225 HydrophobicContact CG2-CB 3.75Å
201	P	98.1	Very high	94.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.			trans	-75.1	150.5	176	29.4	-31.9	0	0	0	111.6	Y199 V204 W222 V226 D277 V278	Y199-P201 HydrophobicContact CE1-CB 4.06Å; P201-V204 HydrophobicContact CB-CG2 4.04Å; P201-V204 HydrophobicContact CG-CG2 3.56Å; P201-W222 VanDerWaalsContact CD-CE2 3.4Å; P201-W222 HydrophobicContact CG-CD2 3.86Å; P201-W222 HydrophobicContact CG-CE3 3.85Å; P201-W222 HydrophobicContact CG-CG 4.48Å; P201-W222 HydrophobicContact CG-CH2 4.01Å; P201-W222 HydrophobicContact CG-CZ2 4.03Å; P201-W222 HydrophobicContact CG-CZ3 3.93Å; P201-V226 HydrophobicContact CG-CG2 4.13Å; P201-V226 WeakPolarHBondContact O-CG2 3.36Å; P201-D277 HydrophobicContact CB-CB 3.59Å; P201-V278 HydrophobicContact CB-CB 4.32Å; P201-V278 HydrophobicContact CB-CG2 3.73Å; P201-V278 HydrophobicContact CG-CB 4.42Å; P201-V278 HydrophobicContact CG-CG2 3.88Å
202	E	98.3	Very high	94.2	Very high	97 Å²	97	29.4 Å²	29.4	45%	0.453	16%	0.161	S	C	.	.	S	Bend	trans	-86.5	-28.4	167.9	-59.9	-161.1	154.4	0	0	111.8	K227 N228 D277	E202-K227 HydrophobicContact CB-CD 4.24Å; E202-K227 HydrophobicContact CB-CG 4.38Å; E202-K227 HydrophobicContact CG-CD 4.5Å; E202-K227 WeakPolarHBondContact O-CA 3.42Å; E202-K227 WeakPolarHBondContact O-CB 3.31Å; E202-K227 PolarHBondContact O-N 3.34Å; E202-K227 WeakPolarHBondContact OE1-CE 3.37Å; E202-K227 IonicContact OE1-NZ 2.96Å; E202-K227 PolarHBondContact OE1-NZ 3.09Å; E202-K227 WeakPolarHBondContact OE2-CE 3.45Å; E202-K227 IonicContact OE2-NZ 3.88Å; E202-K227 PolarHBondContact OE2-NZ 3Å; E202-N228 PolarHBondContact O-N 3.12Å; E202-D277 WeakPolarHBondContact CB-OD2 3.44Å; E202-D277 PolarHBondContact N-OD2 3.06Å
203	T	98.6	Very high	94.5	Very high	28 Å²	28	29.5 Å²	29.5	17%	0.172	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.5	-178.2	55.6	0	0	0	0	111.6	N228 F276 D277 V278	T203-N228 WeakPolarHBondContact CA-O 3.39Å; T203-N228 HydrophobicContact CG2-CB 4.38Å; T203-F276 WeakPolarHBondContact OG1-CA 3.33Å; T203-D277 PolarHBondContact N-OD2 3.41Å; T203-D277 WeakPolarHBondContact O-CB 3.39Å; T203-D277 PolarHBondContact O-N 3.41Å; T203-D277 VanDerWaalsContact O-N 3.12Å; T203-D277 PolarHBondContact OG1-N 3.34Å; T203-V278 PolarHBondContact O-N 3.04Å; T203-V278 VanDerWaalsContact O-N 3.17Å
204	V	98.7	Very high	94.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129	179.9	179	0	0	0	0	110.3	P201 A218 W222 V226 N228 Y229 Q230 V278 I280	P201-V204 HydrophobicContact CB-CG2 4.04Å; P201-V204 HydrophobicContact CG-CG2 3.56Å; V204-A218 HydrophobicContact CG1-CB 4.43Å; V204-W222 HydrophobicContact CG2-CE3 4.27Å; V204-W222 HydrophobicContact CG2-CZ3 4.07Å; V204-V226 HydrophobicContact CB-CG1 4.23Å; V204-V226 HydrophobicContact CG2-CG1 3.7Å; V204-V226 HydrophobicContact CG2-CG2 4.16Å; V204-N228 PolarHBondContact N-O 2.95Å; V204-Y229 HydrophobicContact CB-CD1 3.73Å; V204-Y229 HydrophobicContact CB-CE1 3.9Å; V204-Y229 HydrophobicContact CG1-CD1 4.07Å; V204-Y229 HydrophobicContact CG1-CE1 4.21Å; V204-Y229 HydrophobicContact CG2-CD1 4.42Å; V204-Y229 HydrophobicContact CG2-CE1 4.1Å; V204-Y229 CarbonylContact O-C 3.59Å; V204-Y229 WeakPolarHBondContact O-CA 3.32Å; V204-Q230 PolarHBondContact O-N 3.23Å; V204-V278 CarbonylContact C-O 3.6Å; V204-V278 VanDerWaalsContact CA-O 3.31Å; V204-V278 WeakPolarHBondContact CA-O 3.32Å; V204-V278 HydrophobicContact CG2-CB 4.37Å; V204-I280 HydrophobicContact CG1-CD1 4.19Å
205	L	98.7	Very high	95	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.4	169.3	170.6	63	0	0	0	109.9	Q230 I232 L268 F276 V278 I279 I280 L301	L205-Q230 CarbonylContact C-O 3.57Å; L205-Q230 WeakPolarHBondContact CA-O 3.34Å; L205-Q230 HydrophobicContact CD1-CB 4.08Å; L205-Q230 HydrophobicContact CD1-CG 4.02Å; L205-I232 HydrophobicContact CD1-CB 4.38Å; L205-I232 HydrophobicContact CD1-CD1 3.63Å; L205-I232 HydrophobicContact CD1-CG1 3.63Å; L205-L268 HydrophobicContact CD2-CD2 4.1Å; L205-F276 HydrophobicContact CB-CB 4.12Å; L205-F276 HydrophobicContact CB-CD1 3.69Å; L205-F276 HydrophobicContact CB-CD2 3.68Å; L205-F276 HydrophobicContact CB-CE1 3.98Å; L205-F276 HydrophobicContact CB-CE2 3.97Å; L205-F276 HydrophobicContact CB-CG 3.53Å; L205-F276 HydrophobicContact CB-CZ 4.11Å; L205-F276 HydrophobicContact CD1-CE2 4.48Å; L205-F276 HydrophobicContact CD1-CZ 4.41Å; L205-F276 HydrophobicContact CD2-CD2 3.82Å; L205-F276 HydrophobicContact CD2-CE2 3.79Å; L205-F276 HydrophobicContact CD2-CZ 4.49Å; L205-F276 HydrophobicContact CG-CD2 4.32Å; L205-F276 HydrophobicContact CG-CE2 4.3Å; L205-V278 PolarHBondContact N-O 3.24Å; L205-I279 HydrophobicContact CB-CB 4.49Å; L205-I279 HydrophobicContact CB-CG1 4.12Å; L205-I279 HydrophobicContact CB-CG2 4.38Å; L205-I279 HydrophobicContact CD2-CD1 4.06Å; L205-I279 HydrophobicContact CD2-CG1 4.14Å; L205-I279 HydrophobicContact CD2-CG2 3.93Å; L205-I279 HydrophobicContact CG-CG2 4.18Å; L205-I279 CarbonylContact O-C 3.53Å; L205-I279 WeakPolarHBondContact O-CA 3.36Å; L205-I280 PolarHBondContact O-N 2.91Å; L205-L301 HydrophobicContact CD2-CD2 4.29Å
206	D	98.6	Very high	95.5	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.027	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	101.4	168.2	-176.5	3.6	0	0	0	108.5	S209 A214 F215 Q230 L231 I232	D206-S209 WeakPolarHBondContact OD1-CA 3.38Å; D206-A214 WeakPolarHBondContact OD1-CB 3.47Å; D206-A214 WeakPolarHBondContact OD2-CB 3.42Å; D206-F215 PolarHBondContact OD2-N 2.87Å; D206-Q230 PolarHBondContact N-O 2.85Å; D206-L231 HydrophobicContact CB-CG 4.12Å; D206-L231 WeakPolarHBondContact O-CA 3.41Å; D206-I232 PolarHBondContact O-N 3.23Å
207	Y	98.3	Very high	96.3	Very high	42 Å²	42	22 Å²	22	17%	0.165	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.6	-175	-170.5	-91.3	0	0	0	111.1	I232 L268 I280 L284 L297 L301	Y207-I232 HydrophobicContact CD2-CB 3.86Å; Y207-I232 HydrophobicContact CD2-CD1 4.17Å; Y207-I232 HydrophobicContact CD2-CG2 3.9Å; Y207-I232 HydrophobicContact CE2-CB 4.22Å; Y207-I232 HydrophobicContact CE2-CD1 4.46Å; Y207-I232 HydrophobicContact CE2-CG2 3.73Å; Y207-L268 HydrophobicContact CD2-CD2 4.05Å; Y207-L268 HydrophobicContact CD2-CG 4.31Å; Y207-L268 HydrophobicContact CE2-CD1 4.1Å; Y207-L268 HydrophobicContact CE2-CD2 3.98Å; Y207-L268 HydrophobicContact CE2-CG 3.72Å; Y207-I280 PolarHBondContact N-O 2.84Å; Y207-L284 HydrophobicContact CD1-CD2 3.32Å; Y207-L284 HydrophobicContact CE1-CD2 3.34Å; Y207-L297 HydrophobicContact CD1-CD1 4.24Å; Y207-L297 HydrophobicContact CD1-CD2 4.26Å; Y207-L297 HydrophobicContact CE1-CD1 3.42Å; Y207-L297 VanDerWaalsContact CE1-CD1 3.42Å; Y207-L297 HydrophobicContact CE1-CD2 3.6Å; Y207-L297 HydrophobicContact CE1-CG 4.14Å; Y207-L297 HydrophobicContact CE2-CD1 4.34Å; Y207-L297 VanDerWaalsContact CZ-CD1 3.49Å; Y207-L297 WeakPolarHBondContact OH-CD1 3.48Å; Y207-L301 HydrophobicContact CD1-CD1 4.24Å; Y207-L301 HydrophobicContact CD2-CD2 4.11Å; Y207-L301 HydrophobicContact CG-CD1 4.48Å; Y207-L301 HydrophobicContact CG-CD2 4.13Å
208	G	95.8	Very high	96.9	Very high	15 Å²	15	18.7 Å²	18.7	16%	0.155	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	44.3	-163.3	0	0	0	0	0	110.9	G210 I232	G208-G210 PolarHBondContact O-N 2.87Å; G208-I232 WeakPolarHBondContact CA-O 3.34Å; G208-I232 PolarHBondContact N-O 3.05Å
209	S	96.5	Very high	97.3	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.028	9%	0.09	C	C	.	.			trans	-58	-25.3	-166.9	63.5	0	0	0	0	114.2	D206 S211 G212 I232	D206-S209 WeakPolarHBondContact OD1-CA 3.38Å; S209-S211 PolarHBondContact O-N 2.83Å; S209-S211 VanDerWaalsContact O-N 3.13Å; S209-G212 WeakPolarHBondContact O-CA 3.42Å; S209-G212 PolarHBondContact O-N 3.41Å; S209-I232 PolarHBondContact N-O 2.85Å
210	G	95.1	Very high	97.3	Very high	3 Å²	3	20.3 Å²	20.3	3%	0.031	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-121.1	169.5	0	0	0	0	0	111.5	G208 G212 D233 I238 C242	G208-G210 PolarHBondContact O-N 2.87Å; G210-G212 PolarHBondContact O-N 2.88Å; G210-D233 WeakPolarHBondContact CA-OD2 3.3Å; G210-D233 PolarHBondContact N-OD2 2.99Å; G210-I238 WeakPolarHBondContact O-CG2 3.21Å; G210-C242 WeakPolarHBondContact O-CB 3.28Å
211	S	94.5	Very high	97.2	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.028	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	8.1	177.2	67.2	0	0	0	0	114.6	I180 S209 A213	I180-S211 VanDerWaalsContact CA-OG 3.31Å; I180-S211 WeakPolarHBondContact CA-OG 3.47Å; S209-S211 PolarHBondContact O-N 2.83Å; S209-S211 VanDerWaalsContact O-N 3.13Å; S211-A213 VanDerWaalsContact C-N 3.29Å; S211-A213 PolarHBondContact O-N 2.79Å
212	G	97.3	Very high	97.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	16.4	-175.6	0	0	0	0	0	114.3	S209 G210 A214 F215 W216 C242	S209-G212 WeakPolarHBondContact O-CA 3.42Å; S209-G212 PolarHBondContact O-N 3.41Å; G210-G212 PolarHBondContact O-N 2.88Å; G212-A214 PolarHBondContact O-N 3.01Å; G212-F215 WeakPolarHBondContact O-CB 3.28Å; G212-F215 PolarHBondContact O-N 2.66Å; G212-W216 PolarHBondContact O-N 2.72Å; G212-C242 WeakPolarHBondContact CA-SG 3.46Å; G212-C242 PolarHBondContact N-SG 2.89Å; G212-C242 VanDerWaalsContact N-SG 3.44Å
213	A	97.8	Very high	96.8	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.017	8%	0.08	C	C	.	.	H	α-helix	trans	-68	-36.7	-172.9	0	0	0	0	0	113.2	I180 N183 S211 W216 A217	I180-A213 HydrophobicContact CG1-CB 4.34Å; I180-A213 WeakPolarHBondContact O-CB 3.34Å; N183-A213 HydrophobicContact CB-CB 3.45Å; N183-A213 VanDerWaalsContact CB-CB 3.45Å; S211-A213 VanDerWaalsContact C-N 3.29Å; S211-A213 PolarHBondContact O-N 2.79Å; A213-W216 PolarHBondContact O-N 2.88Å; A213-A217 PolarHBondContact O-N 2.92Å
214	A	98.1	Very high	96.5	Very high	5 Å²	5	19.7 Å²	19.7	4%	0.041	10%	0.102	C	C	.	.	H	α-helix	trans	-68.9	-41.9	176.5	0	0	0	0	0	111.3	V187 D206 G212 W216 A217 A218 I280	V187-A214 HydrophobicContact CB-CB 4.48Å; V187-A214 HydrophobicContact CG1-CB 4.05Å; V187-A214 HydrophobicContact CG2-CB 3.92Å; D206-A214 WeakPolarHBondContact OD1-CB 3.47Å; D206-A214 WeakPolarHBondContact OD2-CB 3.42Å; G212-A214 PolarHBondContact O-N 3.01Å; A214-W216 PolarHBondContact O-N 3.29Å; A214-A217 PolarHBondContact O-N 3.25Å; A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.97Å; A214-I280 HydrophobicContact CB-CG2 3.97Å
215	F	98.4	Very high	96.4	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	13%	0.127	C	C	.	.	H	α-helix	trans	-51.1	-53.4	166.3	167.5	-94.8	0	0	0	112.4	D206 G212 A217 A218 F219 Y229 L231 L246 V258 H259 I262	D206-F215 PolarHBondContact OD2-N 2.87Å; G212-F215 WeakPolarHBondContact O-CB 3.28Å; G212-F215 PolarHBondContact O-N 2.66Å; F215-A217 VanDerWaalsContact C-N 3.28Å; F215-A217 PolarHBondContact O-N 3.09Å; F215-A218 PolarHBondContact O-N 3.49Å; F215-A218 VanDerWaalsContact O-N 3.13Å; F215-F219 HydrophobicContact CE1-CB 4.29Å; F215-F219 HydrophobicContact CE2-CB 4.31Å; F215-F219 HydrophobicContact CZ-CB 4.02Å; F215-F219 HydrophobicContact CZ-CD1 4.36Å; F215-F219 HydrophobicContact CZ-CG 4.09Å; F215-F219 WeakPolarHBondContact O-CB 3.49Å; F215-F219 PolarHBondContact O-N 3.08Å; F215-Y229 AromaticContact CD2-CD1 3.79Å; F215-Y229 HydrophobicContact CD2-CD1 3.79Å; F215-Y229 HydrophobicContact CD2-CE1 4.34Å; F215-Y229 AromaticContact CD2-CG 3.89Å; F215-Y229 HydrophobicContact CD2-CG 3.89Å; F215-Y229 HydrophobicContact CE2-CD1 4.03Å; F215-Y229 AromaticContact CE2-CD2 3.95Å; F215-Y229 HydrophobicContact CE2-CD2 3.95Å; F215-Y229 HydrophobicContact CE2-CE1 4.43Å; F215-Y229 HydrophobicContact CE2-CE2 4.36Å; F215-Y229 AromaticContact CE2-CG 3.76Å; F215-Y229 HydrophobicContact CE2-CG 3.76Å; F215-L231 HydrophobicContact CB-CD1 4.33Å; F215-L231 HydrophobicContact CB-CD2 4.03Å; F215-L231 HydrophobicContact CB-CG 4.4Å; F215-L231 HydrophobicContact CD2-CD1 4.05Å; F215-L231 HydrophobicContact CG-CD1 4.37Å; F215-L231 HydrophobicContact CG-CD2 4.47Å; F215-L246 HydrophobicContact CD1-CD1 4.01Å; F215-L246 HydrophobicContact CD1-CD2 3.64Å; F215-L246 HydrophobicContact CD1-CG 3.74Å; F215-L246 HydrophobicContact CD2-CD2 4.47Å; F215-L246 HydrophobicContact CE1-CD1 4.42Å; F215-L246 HydrophobicContact CE1-CD2 3.86Å; F215-L246 HydrophobicContact CE1-CG 3.76Å; F215-L246 HydrophobicContact CG-CD2 3.99Å; F215-L246 HydrophobicContact CZ-CD2 4.37Å; F215-V258 HydrophobicContact CE1-CG2 3.71Å; F215-V258 HydrophobicContact CZ-CG2 3.74Å; F215-H259 HydrophobicContact CZ-CB 4.35Å; F215-I262 HydrophobicContact CE2-CD1 3.78Å; F215-I262 HydrophobicContact CE2-CG1 4.09Å; F215-I262 HydrophobicContact CZ-CD1 3.68Å; F215-I262 HydrophobicContact CZ-CG1 4.47Å
216	W	97.7	Very high	96.4	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-36	-179	-72.3	115.8	0	0	0	113	K69 A70 Y184 G212 A213 A214 F219 E220 V245 L246 V258	K69-W216 HydrophobicContact CB-CH2 4.02Å; K69-W216 HydrophobicContact CB-CZ3 4.06Å; A70-W216 VanDerWaalsContact CA-CZ2 3.48Å; A70-W216 HydrophobicContact CB-CD2 3.43Å; A70-W216 VanDerWaalsContact CB-CD2 3.43Å; A70-W216 HydrophobicContact CB-CE3 3.82Å; A70-W216 HydrophobicContact CB-CG 3.86Å; A70-W216 HydrophobicContact CB-CH2 3.96Å; A70-W216 HydrophobicContact CB-CZ2 3.61Å; A70-W216 HydrophobicContact CB-CZ3 4.07Å; Y184-W216 HydrophobicContact CD2-CB 3.95Å; Y184-W216 HydrophobicContact CE2-CB 4.34Å; G212-W216 PolarHBondContact O-N 2.72Å; A213-W216 PolarHBondContact O-N 2.88Å; A214-W216 PolarHBondContact O-N 3.29Å; W216-F219 HydrophobicContact CE3-CD1 4.3Å; W216-F219 HydrophobicContact CZ3-CD1 4.27Å; W216-E220 VanDerWaalsContact O-CB 3.3Å; W216-E220 WeakPolarHBondContact O-CB 3.3Å; W216-E220 PolarHBondContact O-N 2.87Å; W216-V245 HydrophobicContact CZ2-CG1 4.37Å; W216-L246 HydrophobicContact CZ2-CD1 4.11Å; W216-L246 HydrophobicContact CZ2-CG 4.29Å; W216-V258 HydrophobicContact CH2-CB 4.22Å; W216-V258 HydrophobicContact CH2-CG1 3.67Å; W216-V258 HydrophobicContact CH2-CG2 3.65Å; W216-V258 HydrophobicContact CZ2-CG2 4.45Å; W216-V258 HydrophobicContact CZ3-CB 4.39Å; W216-V258 HydrophobicContact CZ3-CG1 4.19Å; W216-V258 HydrophobicContact CZ3-CG2 3.78Å
217	A	97.4	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.7	-41.6	175.5	0	0	0	0	0	112.2	Y184 V187 H188 L191 A213 A214 F215 Q221	Y184-A217 HydrophobicContact CD2-CB 3.86Å; Y184-A217 HydrophobicContact CE2-CB 4.13Å; V187-A217 HydrophobicContact CB-CB 3.76Å; V187-A217 HydrophobicContact CG1-CB 3.62Å; H188-A217 HydrophobicContact CB-CB 3.92Å; L191-A217 HydrophobicContact CD1-CB 4.23Å; A213-A217 PolarHBondContact O-N 2.92Å; A214-A217 PolarHBondContact O-N 3.25Å; F215-A217 VanDerWaalsContact C-N 3.28Å; F215-A217 PolarHBondContact O-N 3.09Å; A217-Q221 WeakPolarHBondContact O-CB 3.3Å; A217-Q221 PolarHBondContact O-N 3.32Å
218	A	97.5	Very high	96.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-42.8	176.7	0	0	0	0	0	111.9	L191 V204 A214 F215 Q221 W222 Y229 I280	L191-A218 HydrophobicContact CD1-CB 3.91Å; V204-A218 HydrophobicContact CG1-CB 4.43Å; A214-A218 WeakPolarHBondContact O-CB 3.4Å; A214-A218 PolarHBondContact O-N 2.97Å; F215-A218 PolarHBondContact O-N 3.49Å; F215-A218 VanDerWaalsContact O-N 3.13Å; A218-Q221 PolarHBondContact O-N 3.02Å; A218-Q221 VanDerWaalsContact O-N 3.16Å; A218-W222 HydrophobicContact CB-CE3 3.81Å; A218-W222 HydrophobicContact CB-CZ3 3.73Å; A218-W222 PolarHBondContact O-N 3.17Å; A218-Y229 HydrophobicContact CB-CE1 3.89Å; A218-I280 HydrophobicContact CB-CD1 4.29Å
219	F	96.6	Very high	96.5	Very high	36 Å²	36	32.2 Å²	32.2	16%	0.158	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-39.6	177.8	-173.2	-125.8	0	0	0	112	F215 W216 Q221 G223 E224 Y229 V258 H259	F215-F219 HydrophobicContact CE1-CB 4.29Å; F215-F219 HydrophobicContact CE2-CB 4.31Å; F215-F219 HydrophobicContact CZ-CB 4.02Å; F215-F219 HydrophobicContact CZ-CD1 4.36Å; F215-F219 HydrophobicContact CZ-CG 4.09Å; F215-F219 WeakPolarHBondContact O-CB 3.49Å; F215-F219 PolarHBondContact O-N 3.08Å; W216-F219 HydrophobicContact CE3-CD1 4.3Å; W216-F219 HydrophobicContact CZ3-CD1 4.27Å; F219-Q221 VanDerWaalsContact C-N 3.29Å; F219-Q221 PolarHBondContact O-N 2.87Å; F219-G223 WeakPolarHBondContact O-CA 3.31Å; F219-G223 PolarHBondContact O-N 3.34Å; F219-E224 HydrophobicContact CE2-CG 4.4Å; F219-Y229 HydrophobicContact CD2-CE2 4.38Å; F219-V258 HydrophobicContact CD1-CG2 4.34Å; F219-V258 HydrophobicContact CE1-CB 4.23Å; F219-V258 HydrophobicContact CE1-CG2 4.12Å; F219-H259 HydrophobicContact CE2-CB 4.2Å; F219-H259 AromaticContact CE2-CD2 3.83Å
220	E	94.4	Very high	96.6	Very high	109 Å²	109	32.5 Å²	32.5	51%	0.509	15%	0.153	S	C	.	.	H	α-helix	trans	-62.8	-36	171.9	-177.4	67.2	-163.8	0	0	112.3	P67 Y184 W216	P67-E220 HydrophobicContact CG-CB 4.42Å; Y184-E220 HydrophobicContact CE2-CB 4.44Å; W216-E220 VanDerWaalsContact O-CB 3.3Å; W216-E220 WeakPolarHBondContact O-CB 3.3Å; W216-E220 PolarHBondContact O-N 2.87Å
221	Q	93.9	Very high	96.8	Very high	19 Å²	19	32.4 Å²	32.4	9%	0.089	15%	0.152	C	C	.	.	H	α-helix	trans	-76.5	-46.5	-177.1	172.2	69.8	-23.3	0	0	112.5	L191 K195 A217 A218 F219 R225	L191-Q221 HydrophobicContact CB-CG 4.44Å; L191-Q221 PolarHBondContact O-NE2 3.1Å; K195-Q221 VanDerWaalsContact CG-NE2 3.3Å; A217-Q221 WeakPolarHBondContact O-CB 3.3Å; A217-Q221 PolarHBondContact O-N 3.32Å; A218-Q221 PolarHBondContact O-N 3.02Å; A218-Q221 VanDerWaalsContact O-N 3.16Å; F219-Q221 VanDerWaalsContact C-N 3.29Å; F219-Q221 PolarHBondContact O-N 2.87Å; Q221-R225 PolarHBondContact O-NH2 2.91Å; Q221-R225 VanDerWaalsContact O-NH2 3.15Å
222	W	96	Very high	96.9	Very high	6 Å²	6	32.3 Å²	32.3	2%	0.023	15%	0.151	C	C	.	.	H	α-helix	trans	-113	-25	-170	-61.6	-59.8	0	0	0	113.8	L191 F194 Y199 P201 V204 A218 R225 V226 V278	L191-W222 HydrophobicContact CD1-CH2 4.19Å; L191-W222 HydrophobicContact CD1-CZ3 4.04Å; L191-W222 HydrophobicContact CD2-CH2 3.78Å; L191-W222 HydrophobicContact CD2-CZ3 4.35Å; L191-W222 HydrophobicContact CG-CH2 4.45Å; F194-W222 HydrophobicContact CB-CZ2 4.25Å; F194-W222 AromaticContact CD2-CH2 3.99Å; F194-W222 HydrophobicContact CD2-CH2 3.99Å; F194-W222 AromaticContact CD2-CZ2 3.53Å; F194-W222 HydrophobicContact CD2-CZ2 3.53Å; F194-W222 HydrophobicContact CE2-CH2 4.15Å; F194-W222 HydrophobicContact CE2-CZ2 4.11Å; F194-W222 HydrophobicContact CG-CZ2 4.01Å; Y199-W222 PolarHBondContact O-NE1 3.33Å; Y199-W222 VanDerWaalsContact O-NE1 3.09Å; P201-W222 VanDerWaalsContact CD-CE2 3.4Å; P201-W222 HydrophobicContact CG-CD2 3.86Å; P201-W222 HydrophobicContact CG-CE3 3.85Å; P201-W222 HydrophobicContact CG-CG 4.48Å; P201-W222 HydrophobicContact CG-CH2 4.01Å; P201-W222 HydrophobicContact CG-CZ2 4.03Å; P201-W222 HydrophobicContact CG-CZ3 3.93Å; V204-W222 HydrophobicContact CG2-CE3 4.27Å; V204-W222 HydrophobicContact CG2-CZ3 4.07Å; A218-W222 HydrophobicContact CB-CE3 3.81Å; A218-W222 HydrophobicContact CB-CZ3 3.73Å; A218-W222 PolarHBondContact O-N 3.17Å; W222-R225 WeakPolarHBondContact O-CB 3.41Å; W222-R225 PolarHBondContact O-N 3.05Å; W222-R225 PolarHBondContact O-NE 3.45Å; W222-V226 HydrophobicContact CB-CG2 3.47Å; W222-V226 VanDerWaalsContact CB-CG2 3.47Å; W222-V226 HydrophobicContact CD2-CG2 4.42Å; W222-V226 HydrophobicContact CE3-CG2 4.26Å; W222-V226 HydrophobicContact CG-CG2 4.16Å; W222-V278 HydrophobicContact CH2-CG1 4.25Å; W222-V278 HydrophobicContact CH2-CG2 4.28Å
223	G	93	Very high	96.9	Very high	20 Å²	20	33.1 Å²	33.1	21%	0.206	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	63.1	-144.4	180	0	0	0	0	0	112.5	F219 R225 V226 Y229	F219-G223 WeakPolarHBondContact O-CA 3.31Å; F219-G223 PolarHBondContact O-N 3.34Å; G223-R225 PolarHBondContact O-N 2.85Å; G223-V226 PolarHBondContact O-N 2.83Å; G223-Y229 PolarHBondContact O-OH 3.15Å
224	E	93.3	Very high	96.7	Very high	138 Å²	138	36.8 Å²	36.8	65%	0.645	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-73.2	-1	178.7	-61.7	178.3	175.6	0	0	113.8	F219 V226	F219-E224 HydrophobicContact CE2-CG 4.4Å; E224-V226 PolarHBondContact O-N 2.84Å
225	R	96.5	Very high	96.6	Very high	143 Å²	143	37.5 Å²	37.5	54%	0.54	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-70.1	-22.8	173.2	-61.4	176.8	-69.5	175.1	-5	112	I200 Q221 W222 G223	I200-R225 HydrophobicContact CG2-CB 3.75Å; Q221-R225 PolarHBondContact O-NH2 2.91Å; Q221-R225 VanDerWaalsContact O-NH2 3.15Å; W222-R225 WeakPolarHBondContact O-CB 3.41Å; W222-R225 PolarHBondContact O-N 3.05Å; W222-R225 PolarHBondContact O-NE 3.45Å; G223-R225 PolarHBondContact O-N 2.85Å
226	V	98.2	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-79.3	121.3	168.6	-178.7	0	0	0	0	107.6	P201 V204 W222 G223 E224 N228 Y229 H259	P201-V226 HydrophobicContact CG-CG2 4.13Å; P201-V226 WeakPolarHBondContact O-CG2 3.36Å; V204-V226 HydrophobicContact CB-CG1 4.23Å; V204-V226 HydrophobicContact CG2-CG1 3.7Å; V204-V226 HydrophobicContact CG2-CG2 4.16Å; W222-V226 HydrophobicContact CB-CG2 3.47Å; W222-V226 VanDerWaalsContact CB-CG2 3.47Å; W222-V226 HydrophobicContact CD2-CG2 4.42Å; W222-V226 HydrophobicContact CE3-CG2 4.26Å; W222-V226 HydrophobicContact CG-CG2 4.16Å; G223-V226 PolarHBondContact O-N 2.83Å; E224-V226 PolarHBondContact O-N 2.84Å; V226-N228 WeakPolarHBondContact CG1-O 3.48Å; V226-Y229 HydrophobicContact CB-CD2 4.41Å; V226-Y229 HydrophobicContact CB-CE1 4.27Å; V226-Y229 HydrophobicContact CB-CE2 3.56Å; V226-Y229 VanDerWaalsContact CB-CZ 3.48Å; V226-Y229 WeakPolarHBondContact CB-OH 3.18Å; V226-Y229 HydrophobicContact CG1-CD1 4.35Å; V226-Y229 HydrophobicContact CG1-CD2 4.05Å; V226-Y229 HydrophobicContact CG1-CE1 3.98Å; V226-Y229 HydrophobicContact CG1-CE2 3.67Å; V226-Y229 HydrophobicContact CG1-CG 4.39Å; V226-Y229 HydrophobicContact CG2-CE1 4.33Å; V226-Y229 HydrophobicContact CG2-CE2 4.3Å; V226-Y229 WeakPolarHBondContact CG2-OH 3.38Å; V226-H259 PolarHBondContact O-CE1 3.28Å; V226-H259 VanDerWaalsContact O-CE1 3.31Å; V226-H259 PolarHBondContact O-NE2 3.11Å
227	K	97.9	Very high	96.4	Very high	104 Å²	104	47.1 Å²	47.1	45%	0.452	23%	0.229	S	C	.	.	S	Bend	trans	-70.3	-38.6	-176.9	-63	180	-174.9	162.5	0	112.4	E202 N261	E202-K227 HydrophobicContact CB-CD 4.24Å; E202-K227 HydrophobicContact CB-CG 4.38Å; E202-K227 HydrophobicContact CG-CD 4.5Å; E202-K227 WeakPolarHBondContact O-CA 3.42Å; E202-K227 WeakPolarHBondContact O-CB 3.31Å; E202-K227 PolarHBondContact O-N 3.34Å; E202-K227 WeakPolarHBondContact OE1-CE 3.37Å; E202-K227 IonicContact OE1-NZ 2.96Å; E202-K227 PolarHBondContact OE1-NZ 3.09Å; E202-K227 WeakPolarHBondContact OE2-CE 3.45Å; E202-K227 IonicContact OE2-NZ 3.88Å; E202-K227 PolarHBondContact OE2-NZ 3Å; K227-N261 WeakPolarHBondContact O-CB 3.37Å; K227-N261 PolarHBondContact O-ND2 2.93Å
228	N	98	Very high	96.4	Very high	76 Å²	76	47.7 Å²	47.7	41%	0.406	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.8	-175.6	-59.9	-67.9	0	0	0	112.3	E202 T203 V204 V226 N261	E202-N228 PolarHBondContact O-N 3.12Å; T203-N228 WeakPolarHBondContact CA-O 3.39Å; T203-N228 HydrophobicContact CG2-CB 4.38Å; V204-N228 PolarHBondContact N-O 2.95Å; V226-N228 WeakPolarHBondContact CG1-O 3.48Å; N228-N261 WeakPolarHBondContact OD1-CB 3.45Å
229	Y	98.4	Very high	96.3	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.2	166.3	-66.9	-91.6	0	0	0	110	V204 F215 A218 F219 G223 V226 H259 N261 I262 S263	V204-Y229 HydrophobicContact CB-CD1 3.73Å; V204-Y229 HydrophobicContact CB-CE1 3.9Å; V204-Y229 HydrophobicContact CG1-CD1 4.07Å; V204-Y229 HydrophobicContact CG1-CE1 4.21Å; V204-Y229 HydrophobicContact CG2-CD1 4.42Å; V204-Y229 HydrophobicContact CG2-CE1 4.1Å; V204-Y229 CarbonylContact O-C 3.59Å; V204-Y229 WeakPolarHBondContact O-CA 3.32Å; F215-Y229 AromaticContact CD2-CD1 3.79Å; F215-Y229 HydrophobicContact CD2-CD1 3.79Å; F215-Y229 HydrophobicContact CD2-CE1 4.34Å; F215-Y229 AromaticContact CD2-CG 3.89Å; F215-Y229 HydrophobicContact CD2-CG 3.89Å; F215-Y229 HydrophobicContact CE2-CD1 4.03Å; F215-Y229 AromaticContact CE2-CD2 3.95Å; F215-Y229 HydrophobicContact CE2-CD2 3.95Å; F215-Y229 HydrophobicContact CE2-CE1 4.43Å; F215-Y229 HydrophobicContact CE2-CE2 4.36Å; F215-Y229 AromaticContact CE2-CG 3.76Å; F215-Y229 HydrophobicContact CE2-CG 3.76Å; A218-Y229 HydrophobicContact CB-CE1 3.89Å; F219-Y229 HydrophobicContact CD2-CE2 4.38Å; G223-Y229 PolarHBondContact O-OH 3.15Å; V226-Y229 HydrophobicContact CB-CD2 4.41Å; V226-Y229 HydrophobicContact CB-CE1 4.27Å; V226-Y229 HydrophobicContact CB-CE2 3.56Å; V226-Y229 VanDerWaalsContact CB-CZ 3.48Å; V226-Y229 WeakPolarHBondContact CB-OH 3.18Å; V226-Y229 HydrophobicContact CG1-CD1 4.35Å; V226-Y229 HydrophobicContact CG1-CD2 4.05Å; V226-Y229 HydrophobicContact CG1-CE1 3.98Å; V226-Y229 HydrophobicContact CG1-CE2 3.67Å; V226-Y229 HydrophobicContact CG1-CG 4.39Å; V226-Y229 HydrophobicContact CG2-CE1 4.33Å; V226-Y229 HydrophobicContact CG2-CE2 4.3Å; V226-Y229 WeakPolarHBondContact CG2-OH 3.38Å; Y229-H259 AromaticContact CD2-CE1 3.86Å; Y229-H259 AromaticContact CD2-CG 3.9Å; Y229-H259 AromaticContact CD2-ND1 3.66Å; Y229-H259 AromaticContact CE2-CD2 3.89Å; Y229-H259 AromaticContact CE2-NE2 3.92Å; Y229-N261 PolarHBondContact N-O 3.12Å; Y229-I262 WeakPolarHBondContact O-CA 3.39Å; Y229-S263 PolarHBondContact O-N 3.47Å; Y229-S263 PolarHBondContact O-OG 3.46Å
230	Q	98.4	Very high	96.4	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.1	168	-175.9	163.5	96.9	0	0	109.7	V204 L205 D206 I232 S263 F276	V204-Q230 PolarHBondContact O-N 3.23Å; L205-Q230 CarbonylContact C-O 3.57Å; L205-Q230 WeakPolarHBondContact CA-O 3.34Å; L205-Q230 HydrophobicContact CD1-CB 4.08Å; L205-Q230 HydrophobicContact CD1-CG 4.02Å; D206-Q230 PolarHBondContact N-O 2.85Å; Q230-I232 HydrophobicContact CG-CD1 4.5Å; Q230-I232 HydrophobicContact CG-CG1 4.12Å; Q230-S263 CarbonylContact C-O 3.55Å; Q230-S263 WeakPolarHBondContact CA-O 3.45Å; Q230-S263 WeakPolarHBondContact CB-OG 3.06Å; Q230-S263 WeakPolarHBondContact CG-OG 3.43Å; Q230-S263 PolarHBondContact NE2-OG 3.02Å; Q230-S263 VanDerWaalsContact NE2-OG 3.12Å; Q230-F276 HydrophobicContact CB-CE1 3.71Å; Q230-F276 HydrophobicContact CB-CZ 3.94Å; Q230-F276 HydrophobicContact CG-CZ 4.34Å; Q230-F276 VanDerWaalsContact OE1-CZ 3.26Å
231	L	98.6	Very high	96.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.4	175.6	-75.4	77.6	0	0	0	108.3	D206 F215 L246 I262 S263 F264 R265	D206-L231 HydrophobicContact CB-CG 4.12Å; D206-L231 WeakPolarHBondContact O-CA 3.41Å; F215-L231 HydrophobicContact CB-CD1 4.33Å; F215-L231 HydrophobicContact CB-CD2 4.03Å; F215-L231 HydrophobicContact CB-CG 4.4Å; F215-L231 HydrophobicContact CD2-CD1 4.05Å; F215-L231 HydrophobicContact CG-CD1 4.37Å; F215-L231 HydrophobicContact CG-CD2 4.47Å; L231-L246 HydrophobicContact CD1-CD2 4.47Å; L231-L246 HydrophobicContact CD2-CD2 3.7Å; L231-I262 HydrophobicContact CD1-CG2 3.75Å; L231-S263 PolarHBondContact N-O 3.34Å; L231-F264 HydrophobicContact CB-CD1 3.8Å; L231-F264 HydrophobicContact CB-CE1 3.9Å; L231-F264 HydrophobicContact CD2-CD1 4.47Å; L231-F264 HydrophobicContact CD2-CE1 3.72Å; L231-F264 HydrophobicContact CD2-CZ 4.19Å; L231-F264 HydrophobicContact CG-CE1 4.3Å; L231-F264 CarbonylContact O-C 3.59Å; L231-F264 VanDerWaalsContact O-CA 3.32Å; L231-F264 WeakPolarHBondContact O-CA 3.3Å; L231-R265 PolarHBondContact O-N 3.38Å
232	I	98.1	Very high	96.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	177.1	-58.1	-173.3	0	0	0	109.7	L205 D206 Y207 G208 S209 Q230 R265 L268	L205-I232 HydrophobicContact CD1-CB 4.38Å; L205-I232 HydrophobicContact CD1-CD1 3.63Å; L205-I232 HydrophobicContact CD1-CG1 3.63Å; D206-I232 PolarHBondContact O-N 3.23Å; Y207-I232 HydrophobicContact CD2-CB 3.86Å; Y207-I232 HydrophobicContact CD2-CD1 4.17Å; Y207-I232 HydrophobicContact CD2-CG2 3.9Å; Y207-I232 HydrophobicContact CE2-CB 4.22Å; Y207-I232 HydrophobicContact CE2-CD1 4.46Å; Y207-I232 HydrophobicContact CE2-CG2 3.73Å; G208-I232 WeakPolarHBondContact CA-O 3.34Å; G208-I232 PolarHBondContact N-O 3.05Å; S209-I232 PolarHBondContact N-O 2.85Å; Q230-I232 HydrophobicContact CG-CD1 4.5Å; Q230-I232 HydrophobicContact CG-CG1 4.12Å; I232-R265 VanDerWaalsContact CA-O 3.3Å; I232-R265 WeakPolarHBondContact CA-O 3.34Å; I232-R265 HydrophobicContact CG1-CB 4.17Å; I232-L268 HydrophobicContact CD1-CD2 3.72Å; I232-L268 HydrophobicContact CD1-CG 4.37Å
233	D	96.8	Very high	96.8	Very high	17 Å²	17	46 Å²	46	9%	0.091	23%	0.227	C	C	.	.			trans	-146.8	133.9	170.3	-157.8	-60.3	0	0	0	110.2	G210 N235 R265 K266	G210-D233 WeakPolarHBondContact CA-OD2 3.3Å; G210-D233 PolarHBondContact N-OD2 2.99Å; D233-N235 VanDerWaalsContact C-N 3.28Å; D233-N235 PolarHBondContact O-N 3.35Å; D233-N235 PolarHBondContact OD1-N 3.22Å; D233-R265 PolarHBondContact N-O 3.4Å; D233-K266 CarbonylContact C-O 3.57Å; D233-K266 WeakPolarHBondContact O-CA 3.31Å
234	S	94.4	Very high	97.1	Very high	79 Å²	79	45.9 Å²	45.9	55%	0.552	22%	0.222	S	C	*	.	S	Bend	trans	-70.5	-24.4	179.7	60.9	0	0	0	0	113.3	K266	S234-K266 VanDerWaalsContact O-CE 3.24Å; S234-K266 WeakPolarHBondContact O-CE 3.3Å
235	N	95.5	Very high	97.3	Very high	21 Å²	21	39.3 Å²	39.3	11%	0.112	19%	0.191	C	C	.	.			trans	-91.1	116.8	-178.2	-172.8	-68.3	0	0	0	110.5	F166 D233 E237 I238 S239	F166-N235 PolarHBondContact N-ND2 3.05Å; F166-N235 PolarHBondContact O-ND2 2.81Å; D233-N235 VanDerWaalsContact C-N 3.28Å; D233-N235 PolarHBondContact O-N 3.35Å; D233-N235 PolarHBondContact OD1-N 3.22Å; N235-E237 WeakPolarHBondContact OD1-CB 3.33Å; N235-E237 PolarHBondContact OD1-N 3.32Å; N235-E237 VanDerWaalsContact OD1-N 3.14Å; N235-I238 HydrophobicContact CB-CB 4.09Å; N235-I238 HydrophobicContact CB-CD1 3.71Å; N235-I238 HydrophobicContact CB-CG1 4.05Å; N235-I238 PolarHBondContact O-N 2.95Å; N235-I238 PolarHBondContact OD1-N 3.04Å; N235-S239 WeakPolarHBondContact O-CB 3.36Å; N235-S239 PolarHBondContact O-N 3.38Å
236	E	95.2	Very high	97.3	Very high	140 Å²	140	32.5 Å²	32.5	65%	0.654	17%	0.165	S	C	*	.	H	α-helix	trans	-67.5	-39.7	-174.7	-172.9	168.5	179.1	0	0	112.8	S239 Q240	E236-S239 PolarHBondContact O-N 3.02Å; E236-Q240 VanDerWaalsContact O-CB 3.3Å; E236-Q240 WeakPolarHBondContact O-CB 3.1Å; E236-Q240 PolarHBondContact O-N 3.32Å
237	E	96.4	Very high	97.3	Very high	65 Å²	65	37.4 Å²	37.4	30%	0.304	18%	0.184	S	C	.	.	H	α-helix	trans	-64.5	-42.7	177.8	-64.6	-66.2	163.5	0	0	111.5	R169 A172 N235 F241	R169-E237 WeakPolarHBondContact CA-OE2 3.15Å; R169-E237 PolarHBondContact N-OE2 3.01Å; R169-E237 VanDerWaalsContact N-OE2 3.07Å; A172-E237 HydrophobicContact CB-CB 4.22Å; A172-E237 WeakPolarHBondContact CB-O 3.14Å; N235-E237 WeakPolarHBondContact OD1-CB 3.33Å; N235-E237 PolarHBondContact OD1-N 3.32Å; N235-E237 VanDerWaalsContact OD1-N 3.14Å; E237-F241 WeakPolarHBondContact O-CB 3.23Å; E237-F241 PolarHBondContact O-N 2.93Å
238	I	96.5	Very high	97.1	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-48.7	174.5	-67	170.6	0	0	0	110.6	F166 A172 Y175 G210 N235 Q240 F241 C242	F166-I238 HydrophobicContact CD2-CD1 3.4Å; F166-I238 HydrophobicContact CD2-CG1 3.91Å; F166-I238 HydrophobicContact CE2-CD1 3.87Å; A172-I238 HydrophobicContact CB-CG1 4.29Å; Y175-I238 HydrophobicContact CD1-CD1 4.46Å; G210-I238 WeakPolarHBondContact O-CG2 3.21Å; N235-I238 HydrophobicContact CB-CB 4.09Å; N235-I238 HydrophobicContact CB-CD1 3.71Å; N235-I238 HydrophobicContact CB-CG1 4.05Å; N235-I238 PolarHBondContact O-N 2.95Å; N235-I238 PolarHBondContact OD1-N 3.04Å; I238-Q240 VanDerWaalsContact C-N 3.34Å; I238-Q240 PolarHBondContact O-N 3.39Å; I238-F241 PolarHBondContact O-N 2.81Å; I238-C242 VanDerWaalsContact O-CB 3.23Å; I238-C242 WeakPolarHBondContact O-CB 3.43Å; I238-C242 PolarHBondContact O-N 3.49Å
239	S	97.1	Very high	96.8	Very high	12 Å²	12	31.8 Å²	31.8	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-44.5	-179.3	-170.5	0	0	0	0	111.6	N235 E236 C242 M243	N235-S239 WeakPolarHBondContact O-CB 3.36Å; N235-S239 PolarHBondContact O-N 3.38Å; E236-S239 PolarHBondContact O-N 3.02Å; S239-C242 WeakPolarHBondContact O-CB 3.1Å; S239-C242 PolarHBondContact O-N 3.47Å; S239-M243 WeakPolarHBondContact O-CG 3.22Å; S239-M243 PolarHBondContact O-N 2.9Å
240	Q	97.3	Very high	96.5	Very high	80 Å²	80	34.2 Å²	34.2	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-66	-42.7	177.8	-171.5	57.7	60.3	0	0	112	E236 I238 C242 M243 D244	E236-Q240 VanDerWaalsContact O-CB 3.3Å; E236-Q240 WeakPolarHBondContact O-CB 3.1Å; E236-Q240 PolarHBondContact O-N 3.32Å; I238-Q240 VanDerWaalsContact C-N 3.34Å; I238-Q240 PolarHBondContact O-N 3.39Å; Q240-C242 VanDerWaalsContact C-N 3.33Å; Q240-C242 PolarHBondContact O-N 3.15Å; Q240-M243 WeakPolarHBondContact O-CB 3.32Å; Q240-M243 PolarHBondContact O-N 3.21Å; Q240-D244 PolarHBondContact O-N 3.09Å
241	F	98	Very high	96.2	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-40	175.1	-164.7	-89.4	0	0	0	111.4	L74 A77 L78 R169 A172 A173 A176 E237 I238 D244 V245	L74-F241 HydrophobicContact CD1-CE1 3.93Å; L74-F241 HydrophobicContact CD1-CZ 4.4Å; A77-F241 HydrophobicContact CB-CD2 4.43Å; A77-F241 HydrophobicContact CB-CE1 4.01Å; A77-F241 HydrophobicContact CB-CE2 3.81Å; A77-F241 HydrophobicContact CB-CZ 3.57Å; L78-F241 HydrophobicContact CD2-CZ 4.13Å; L78-F241 HydrophobicContact CG-CZ 4.34Å; R169-F241 HydrophobicContact CG-CD2 4.11Å; A172-F241 HydrophobicContact CB-CB 3.69Å; A172-F241 HydrophobicContact CB-CG 4.11Å; A173-F241 HydrophobicContact CB-CD2 4.18Å; A173-F241 HydrophobicContact CB-CE1 4.37Å; A173-F241 HydrophobicContact CB-CE2 3.5Å; A173-F241 VanDerWaalsContact CB-CE2 3.5Å; A173-F241 HydrophobicContact CB-CZ 3.61Å; A176-F241 HydrophobicContact CB-CD1 3.83Å; A176-F241 HydrophobicContact CB-CE1 3.57Å; E237-F241 WeakPolarHBondContact O-CB 3.23Å; E237-F241 PolarHBondContact O-N 2.93Å; I238-F241 PolarHBondContact O-N 2.81Å; F241-D244 WeakPolarHBondContact O-CB 3.17Å; F241-D244 PolarHBondContact O-N 3.44Å; F241-D244 VanDerWaalsContact O-N 3.16Å; F241-V245 HydrophobicContact CD1-CG2 3.99Å; F241-V245 HydrophobicContact CE1-CG2 3.84Å; F241-V245 WeakPolarHBondContact O-CG2 3.36Å; F241-V245 PolarHBondContact O-N 2.82Å
242	C	98.1	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-46.8	174	-178.9	0	0	0	0	111.6	G210 G212 I238 S239 Q240 D244 V245 L246	G210-C242 WeakPolarHBondContact O-CB 3.28Å; G212-C242 WeakPolarHBondContact CA-SG 3.46Å; G212-C242 PolarHBondContact N-SG 2.89Å; G212-C242 VanDerWaalsContact N-SG 3.44Å; I238-C242 VanDerWaalsContact O-CB 3.23Å; I238-C242 WeakPolarHBondContact O-CB 3.43Å; I238-C242 PolarHBondContact O-N 3.49Å; S239-C242 WeakPolarHBondContact O-CB 3.1Å; S239-C242 PolarHBondContact O-N 3.47Å; Q240-C242 VanDerWaalsContact C-N 3.33Å; Q240-C242 PolarHBondContact O-N 3.15Å; C242-D244 VanDerWaalsContact C-N 3.25Å; C242-D244 PolarHBondContact O-N 3.29Å; C242-V245 PolarHBondContact O-N 2.95Å; C242-V245 VanDerWaalsContact O-N 3.16Å; C242-L246 VanDerWaalsContact O-CD1 3.31Å; C242-L246 WeakPolarHBondContact O-CD1 3.44Å; C242-L246 PolarHBondContact O-N 2.96Å
243	M	97.8	Very high	95.6	Very high	38 Å²	38	47.8 Å²	47.8	19%	0.187	25%	0.254	C	S	.	.	H	α-helix	trans	-53.5	-43.8	173.4	-71.1	175.4	-166.9	0	0	111.9	S239 Q240 L246 R247 F257 F264	S239-M243 WeakPolarHBondContact O-CG 3.22Å; S239-M243 PolarHBondContact O-N 2.9Å; Q240-M243 WeakPolarHBondContact O-CB 3.32Å; Q240-M243 PolarHBondContact O-N 3.21Å; M243-L246 PolarHBondContact O-N 2.92Å; M243-R247 WeakPolarHBondContact O-CG 3.49Å; M243-R247 PolarHBondContact O-N 3.08Å; M243-F257 HydrophobicContact CB-CE1 3.9Å; M243-F257 HydrophobicContact CB-CZ 4.25Å; M243-F257 HydrophobicContact CG-CE1 4.31Å; M243-F257 HydrophobicContact CG-CZ 4.21Å; M243-F257 WeakPolarHBondContact O-CE1 3.39Å; M243-F264 HydrophobicContact CB-CZ 4.22Å; M243-F264 HydrophobicContact CE-CB 3.4Å; M243-F264 VanDerWaalsContact CE-CB 3.4Å; M243-F264 HydrophobicContact CE-CD1 3.83Å; M243-F264 HydrophobicContact CE-CD2 3.85Å; M243-F264 HydrophobicContact CE-CG 3.43Å; M243-F264 VanDerWaalsContact CE-CG 3.43Å; M243-F264 HydrophobicContact CG-CD1 3.83Å; M243-F264 HydrophobicContact CG-CD2 3.85Å; M243-F264 HydrophobicContact CG-CE1 3.58Å; M243-F264 HydrophobicContact CG-CE2 3.62Å; M243-F264 HydrophobicContact CG-CG 3.95Å; M243-F264 HydrophobicContact CG-CZ 3.48Å; M243-F264 VanDerWaalsContact CG-CZ 3.48Å; M243-F264 HydrophobicContact SD-CD2 4.44Å; M243-F264 HydrophobicContact SD-CG 4.47Å
244	D	97.7	Very high	95.3	Very high	19 Å²	19	51 Å²	51	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-39.7	-179.2	-55.8	-32.9	0	0	0	111.8	A77 R169 Q240 F241 C242 L246 R247	A77-D244 HydrophobicContact CB-CB 3.91Å; R169-D244 IonicContact CZ-OD2 3.44Å; R169-D244 IonicContact NH1-OD2 2.62Å; R169-D244 PolarHBondContact NH1-OD2 2.83Å; R169-D244 IonicContact NH2-OD2 2.81Å; R169-D244 PolarHBondContact NH2-OD2 2.83Å; Q240-D244 PolarHBondContact O-N 3.09Å; F241-D244 WeakPolarHBondContact O-CB 3.17Å; F241-D244 PolarHBondContact O-N 3.44Å; F241-D244 VanDerWaalsContact O-N 3.16Å; C242-D244 VanDerWaalsContact C-N 3.25Å; C242-D244 PolarHBondContact O-N 3.29Å; D244-L246 VanDerWaalsContact C-N 3.32Å; D244-L246 PolarHBondContact O-N 3.42Å; D244-R247 PolarHBondContact O-N 2.78Å; D244-R247 IonicContact OD1-CZ 3.16Å; D244-R247 IonicContact OD1-NH1 2.78Å; D244-R247 PolarHBondContact OD1-NH1 3.29Å; D244-R247 IonicContact OD1-NH2 3.02Å; D244-R247 PolarHBondContact OD1-NH2 3.15Å
245	V	98	Very high	95.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-41.5	172.3	178.8	0	0	0	0	110.9	G73 L74 A77 I180 W216 F241 C242 R247 G248	G73-V245 WeakPolarHBondContact CA-O 3.32Å; L74-V245 HydrophobicContact CB-CG1 4.43Å; L74-V245 HydrophobicContact CD1-CG2 4.11Å; A77-V245 HydrophobicContact CB-CG2 4.07Å; I180-V245 HydrophobicContact CD1-CG1 3.93Å; W216-V245 HydrophobicContact CZ2-CG1 4.37Å; F241-V245 HydrophobicContact CD1-CG2 3.99Å; F241-V245 HydrophobicContact CE1-CG2 3.84Å; F241-V245 WeakPolarHBondContact O-CG2 3.36Å; F241-V245 PolarHBondContact O-N 2.82Å; C242-V245 PolarHBondContact O-N 2.95Å; C242-V245 VanDerWaalsContact O-N 3.16Å; V245-R247 PolarHBondContact O-N 3.29Å; V245-G248 PolarHBondContact O-N 3.26Å; V245-G248 VanDerWaalsContact O-N 3.09Å
246	L	97.8	Very high	95.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71.4	-8.9	-178.7	-93.1	62.7	0	0	0	114.1	F215 W216 L231 C242 M243 D244 G248 F257 V258 I262 F264	F215-L246 HydrophobicContact CD1-CD1 4.01Å; F215-L246 HydrophobicContact CD1-CD2 3.64Å; F215-L246 HydrophobicContact CD1-CG 3.74Å; F215-L246 HydrophobicContact CD2-CD2 4.47Å; F215-L246 HydrophobicContact CE1-CD1 4.42Å; F215-L246 HydrophobicContact CE1-CD2 3.86Å; F215-L246 HydrophobicContact CE1-CG 3.76Å; F215-L246 HydrophobicContact CG-CD2 3.99Å; F215-L246 HydrophobicContact CZ-CD2 4.37Å; W216-L246 HydrophobicContact CZ2-CD1 4.11Å; W216-L246 HydrophobicContact CZ2-CG 4.29Å; L231-L246 HydrophobicContact CD1-CD2 4.47Å; L231-L246 HydrophobicContact CD2-CD2 3.7Å; C242-L246 VanDerWaalsContact O-CD1 3.31Å; C242-L246 WeakPolarHBondContact O-CD1 3.44Å; C242-L246 PolarHBondContact O-N 2.96Å; M243-L246 PolarHBondContact O-N 2.92Å; D244-L246 VanDerWaalsContact C-N 3.32Å; D244-L246 PolarHBondContact O-N 3.42Å; L246-G248 PolarHBondContact O-N 2.67Å; L246-F257 HydrophobicContact CB-CD1 4.1Å; L246-F257 WeakPolarHBondContact O-CA 3.18Å; L246-V258 WeakPolarHBondContact O-CG1 3.12Å; L246-V258 PolarHBondContact O-N 2.91Å; L246-I262 HydrophobicContact CD2-CD1 4.29Å; L246-F264 HydrophobicContact CD2-CE1 4.42Å; L246-F264 HydrophobicContact CD2-CZ 3.75Å
247	R	97	Very high	95.3	Very high	102 Å²	102	49 Å²	49	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.1	168.1	-55.9	-159	-173.6	98.3	11.6	112.5	M243 D244 V245 N249 G250 N252 P256 F257	M243-R247 WeakPolarHBondContact O-CG 3.49Å; M243-R247 PolarHBondContact O-N 3.08Å; D244-R247 PolarHBondContact O-N 2.78Å; D244-R247 IonicContact OD1-CZ 3.16Å; D244-R247 IonicContact OD1-NH1 2.78Å; D244-R247 PolarHBondContact OD1-NH1 3.29Å; D244-R247 IonicContact OD1-NH2 3.02Å; D244-R247 PolarHBondContact OD1-NH2 3.15Å; V245-R247 PolarHBondContact O-N 3.29Å; R247-N249 PolarHBondContact O-N 3.2Å; R247-G250 PolarHBondContact O-N 3.39Å; R247-N252 PolarHBondContact O-ND2 3.4Å; R247-P256 WeakPolarHBondContact CG-O 3.38Å; R247-F257 HydrophobicContact CG-CD1 4.04Å; R247-F257 HydrophobicContact CG-CE1 4.19Å
248	G	93.9	Very high	95.3	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.021	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-128.4	-179.6	0	0	0	0	0	112.6	K69 G73 N76 V245 L246 G250	K69-G248 VanDerWaalsContact O-CA 3.32Å; K69-G248 WeakPolarHBondContact O-CA 3.43Å; G73-G248 WeakPolarHBondContact CA-O 3.37Å; N76-G248 PolarHBondContact ND2-O 2.89Å; V245-G248 PolarHBondContact O-N 3.26Å; V245-G248 VanDerWaalsContact O-N 3.09Å; L246-G248 PolarHBondContact O-N 2.67Å; G248-G250 VanDerWaalsContact C-N 3.34Å
249	N	92.6	Very high	95.3	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.7	175.4	67.9	-20.1	0	0	0	113.7	V72 R247 E251	V72-N249 HydrophobicContact CG1-CB 3.81Å; R247-N249 PolarHBondContact O-N 3.2Å; N249-E251 VanDerWaalsContact C-N 3.27Å; N249-E251 VanDerWaalsContact ND2-CD 3.31Å; N249-E251 PolarHBondContact ND2-OE2 3.42Å; N249-E251 PolarHBondContact O-N 2.91Å; N249-E251 PolarHBondContact OD1-N 2.87Å; N249-E251 VanDerWaalsContact OD1-N 3.15Å
250	G	91.4	Very high	95.2	Very high	54 Å²	54	47.7 Å²	47.7	56%	0.557	28%	0.276	S	S	*	.	S	Bend	trans	83.5	-9.9	-175.6	0	0	0	0	0	114.9	R247 G248 N252	R247-G250 PolarHBondContact O-N 3.39Å; G248-G250 VanDerWaalsContact C-N 3.34Å; G250-N252 VanDerWaalsContact C-N 3.31Å; G250-N252 PolarHBondContact O-N 3.39Å
251	E	91.8	Very high	95.2	Very high	143 Å²	143	47.7 Å²	47.7	67%	0.668	28%	0.278	S	S	*	.			trans	-86.4	70.7	178.2	-62.1	173.6	174.3	0	0	110.7	N249	N249-E251 VanDerWaalsContact C-N 3.27Å; N249-E251 VanDerWaalsContact ND2-CD 3.31Å; N249-E251 PolarHBondContact ND2-OE2 3.42Å; N249-E251 PolarHBondContact O-N 2.91Å; N249-E251 PolarHBondContact OD1-N 2.87Å; N249-E251 VanDerWaalsContact OD1-N 3.15Å
252	N	93	Very high	95.1	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.048	28%	0.283	C	S	.	.	S	Bend	trans	-113.2	34.6	-172.9	-62.6	-32.3	0	0	0	112.7	R247 G250 G254 H255 F257 V258	R247-N252 PolarHBondContact O-ND2 3.4Å; G250-N252 VanDerWaalsContact C-N 3.31Å; G250-N252 PolarHBondContact O-N 3.39Å; N252-G254 PolarHBondContact O-N 2.98Å; N252-G254 VanDerWaalsContact O-N 3.15Å; N252-H255 HydrophobicContact CB-CB 4.5Å; N252-H255 VanDerWaalsContact CB-O 3.23Å; N252-H255 WeakPolarHBondContact CB-O 3.49Å; N252-H255 WeakPolarHBondContact O-CB 3.47Å; N252-H255 PolarHBondContact O-CD2 3.48Å; N252-H255 PolarHBondContact O-N 3.09Å; N252-F257 VanDerWaalsContact CB-O 3.31Å; N252-F257 WeakPolarHBondContact CB-O 3.4Å; N252-F257 VanDerWaalsContact ND2-C 3.3Å; N252-V258 WeakPolarHBondContact OD1-CA 3.35Å
253	N	90.4	Very high	95.1	Very high	146 Å²	146	50.8 Å²	50.8	78%	0.781	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	35.5	-179.9	-59.9	-21	0	0	0	113.9	H255	N253-H255 VanDerWaalsContact C-N 3.31Å; N253-H255 PolarHBondContact O-N 3.28Å
254	G	91.5	Very high	95.1	Very high	85 Å²	85	50.9 Å²	50.9	88%	0.876	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-4.7	-177.4	0	0	0	0	0	115.1	N252	N252-G254 PolarHBondContact O-N 2.98Å; N252-G254 VanDerWaalsContact O-N 3.15Å
255	H	94.5	Very high	95	Very high	87 Å²	87	55.5 Å²	55.5	40%	0.403	31%	0.314	S	S	.	.			trans	-83.6	152.2	174.4	-61.8	-72.2	0	0	0	112	N252 N253 F257	N252-H255 HydrophobicContact CB-CB 4.5Å; N252-H255 VanDerWaalsContact CB-O 3.23Å; N252-H255 WeakPolarHBondContact CB-O 3.49Å; N252-H255 WeakPolarHBondContact O-CB 3.47Å; N252-H255 PolarHBondContact O-CD2 3.48Å; N252-H255 PolarHBondContact O-N 3.09Å; N253-H255 VanDerWaalsContact C-N 3.31Å; N253-H255 PolarHBondContact O-N 3.28Å; H255-F257 VanDerWaalsContact C-N 3.27Å; H255-F257 PolarHBondContact O-N 3.39Å
256	P	94.4	Very high	95	Very high	83 Å²	83	60.5 Å²	60.5	54%	0.539	34%	0.336	S	S	.	.	S	Bend	trans	-67.5	-25.4	-179.3	24.8	-34.1	0	0	0	113.9	R247	R247-P256 WeakPolarHBondContact CG-O 3.38Å
257	F	96.7	Very high	94.9	Very high	28 Å²	28	66.4 Å²	66.4	12%	0.123	36%	0.362	C	S	.	.	S	Bend	trans	-130.6	167.2	-175.2	-55.5	-63.7	0	0	0	111.2	M243 L246 R247 N252 H255 H259 I262 F264	M243-F257 HydrophobicContact CB-CE1 3.9Å; M243-F257 HydrophobicContact CB-CZ 4.25Å; M243-F257 HydrophobicContact CG-CE1 4.31Å; M243-F257 HydrophobicContact CG-CZ 4.21Å; M243-F257 WeakPolarHBondContact O-CE1 3.39Å; L246-F257 HydrophobicContact CB-CD1 4.1Å; L246-F257 WeakPolarHBondContact O-CA 3.18Å; R247-F257 HydrophobicContact CG-CD1 4.04Å; R247-F257 HydrophobicContact CG-CE1 4.19Å; N252-F257 VanDerWaalsContact CB-O 3.31Å; N252-F257 WeakPolarHBondContact CB-O 3.4Å; N252-F257 VanDerWaalsContact ND2-C 3.3Å; H255-F257 VanDerWaalsContact C-N 3.27Å; H255-F257 PolarHBondContact O-N 3.39Å; F257-H259 PolarHBondContact O-N 3.16Å; F257-I262 HydrophobicContact CB-CD1 3.58Å; F257-I262 HydrophobicContact CD2-CB 4.15Å; F257-I262 HydrophobicContact CG-CD1 4.27Å; F257-F264 HydrophobicContact CD2-CE2 4.33Å; F257-F264 HydrophobicContact CE1-CE2 4.18Å; F257-F264 HydrophobicContact CE2-CD2 4.35Å; F257-F264 AromaticContact CE2-CE2 3.8Å; F257-F264 HydrophobicContact CE2-CE2 3.8Å; F257-F264 HydrophobicContact CZ-CD2 4.35Å; F257-F264 AromaticContact CZ-CE2 3.71Å; F257-F264 HydrophobicContact CZ-CE2 3.71Å
258	V	96.1	Very high	94.8	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.055	35%	0.352	C	S	.	.	S	Bend	trans	-59.9	-15.1	-178.9	-67.4	0	0	0	0	115.7	K69 F215 W216 F219 L246 N252	K69-V258 HydrophobicContact CB-CG1 4.24Å; K69-V258 HydrophobicContact CD-CB 4.49Å; K69-V258 HydrophobicContact CD-CG1 3.83Å; F215-V258 HydrophobicContact CE1-CG2 3.71Å; F215-V258 HydrophobicContact CZ-CG2 3.74Å; W216-V258 HydrophobicContact CH2-CB 4.22Å; W216-V258 HydrophobicContact CH2-CG1 3.67Å; W216-V258 HydrophobicContact CH2-CG2 3.65Å; W216-V258 HydrophobicContact CZ2-CG2 4.45Å; W216-V258 HydrophobicContact CZ3-CB 4.39Å; W216-V258 HydrophobicContact CZ3-CG1 4.19Å; W216-V258 HydrophobicContact CZ3-CG2 3.78Å; F219-V258 HydrophobicContact CD1-CG2 4.34Å; F219-V258 HydrophobicContact CE1-CB 4.23Å; F219-V258 HydrophobicContact CE1-CG2 4.12Å; L246-V258 WeakPolarHBondContact O-CG1 3.12Å; L246-V258 PolarHBondContact O-N 2.91Å; N252-V258 WeakPolarHBondContact OD1-CA 3.35Å
259	H	96.3	Very high	94.8	Very high	3 Å²	3	63.9 Å²	63.9	1%	0.014	36%	0.357	C	S	.	.	S	Bend	trans	-127.2	137.3	171.9	-176.4	-90.6	0	0	0	108.8	F215 F219 V226 Y229 F257 N261 I262	F215-H259 HydrophobicContact CZ-CB 4.35Å; F219-H259 HydrophobicContact CE2-CB 4.2Å; F219-H259 AromaticContact CE2-CD2 3.83Å; V226-H259 PolarHBondContact O-CE1 3.28Å; V226-H259 VanDerWaalsContact O-CE1 3.31Å; V226-H259 PolarHBondContact O-NE2 3.11Å; Y229-H259 AromaticContact CD2-CE1 3.86Å; Y229-H259 AromaticContact CD2-CG 3.9Å; Y229-H259 AromaticContact CD2-ND1 3.66Å; Y229-H259 AromaticContact CE2-CD2 3.89Å; Y229-H259 AromaticContact CE2-NE2 3.92Å; F257-H259 PolarHBondContact O-N 3.16Å; H259-N261 VanDerWaalsContact C-N 3.29Å; H259-N261 PolarHBondContact ND1-N 3.12Å; H259-N261 PolarHBondContact ND1-O 2.98Å; H259-N261 PolarHBondContact O-N 3.22Å; H259-I262 HydrophobicContact CB-CD1 3.7Å; H259-I262 HydrophobicContact CB-CG1 3.88Å
260	P	94.6	Very high	94.9	Very high	49 Å²	49	67.4 Å²	67.4	32%	0.318	38%	0.384	S	S	.	.	S	Bend	trans	-60.8	-36	-173.2	21.6	-34.5	0	0	0	113.8
261	N	96.7	Very high	95	Very high	81 Å²	81	67.8 Å²	67.8	43%	0.433	38%	0.378	S	S	.	.			trans	-114.2	79.4	-174	-59.2	-32.3	0	0	0	110.9	K227 N228 Y229 H259	K227-N261 WeakPolarHBondContact O-CB 3.37Å; K227-N261 PolarHBondContact O-ND2 2.93Å; N228-N261 WeakPolarHBondContact OD1-CB 3.45Å; Y229-N261 PolarHBondContact N-O 3.12Å; H259-N261 VanDerWaalsContact C-N 3.29Å; H259-N261 PolarHBondContact ND1-N 3.12Å; H259-N261 PolarHBondContact ND1-O 2.98Å; H259-N261 PolarHBondContact O-N 3.22Å
262	I	97.3	Very high	95.1	Very high	21 Å²	21	64.7 Å²	64.7	11%	0.108	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129	171.2	-63.6	165.4	0	0	0	108.7	F215 Y229 L231 L246 F257 H259 F264	F215-I262 HydrophobicContact CE2-CD1 3.78Å; F215-I262 HydrophobicContact CE2-CG1 4.09Å; F215-I262 HydrophobicContact CZ-CD1 3.68Å; F215-I262 HydrophobicContact CZ-CG1 4.47Å; Y229-I262 WeakPolarHBondContact O-CA 3.39Å; L231-I262 HydrophobicContact CD1-CG2 3.75Å; L246-I262 HydrophobicContact CD2-CD1 4.29Å; F257-I262 HydrophobicContact CB-CD1 3.58Å; F257-I262 HydrophobicContact CD2-CB 4.15Å; F257-I262 HydrophobicContact CG-CD1 4.27Å; H259-I262 HydrophobicContact CB-CD1 3.7Å; H259-I262 HydrophobicContact CB-CG1 3.88Å; I262-F264 HydrophobicContact CB-CE2 4.49Å; I262-F264 HydrophobicContact CG2-CD2 3.99Å; I262-F264 HydrophobicContact CG2-CE2 3.41Å; I262-F264 VanDerWaalsContact CG2-CE2 3.41Å; I262-F264 HydrophobicContact CG2-CZ 3.89Å
263	S	97.1	Very high	95.1	Very high	47 Å²	47	71.1 Å²	71.1	33%	0.329	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.4	172.8	63.3	0	0	0	0	111	Y229 Q230 L231	Y229-S263 PolarHBondContact O-N 3.47Å; Y229-S263 PolarHBondContact O-OG 3.46Å; Q230-S263 CarbonylContact C-O 3.55Å; Q230-S263 WeakPolarHBondContact CA-O 3.45Å; Q230-S263 WeakPolarHBondContact CB-OG 3.06Å; Q230-S263 WeakPolarHBondContact CG-OG 3.43Å; Q230-S263 PolarHBondContact NE2-OG 3.02Å; Q230-S263 VanDerWaalsContact NE2-OG 3.12Å; L231-S263 PolarHBondContact N-O 3.34Å
264	F	97.8	Very high	95.3	Very high	39 Å²	39	66.7 Å²	66.7	17%	0.171	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.8	176.3	-68.9	-97.3	0	0	0	110	L231 M243 L246 F257 I262	L231-F264 HydrophobicContact CB-CD1 3.8Å; L231-F264 HydrophobicContact CB-CE1 3.9Å; L231-F264 HydrophobicContact CD2-CD1 4.47Å; L231-F264 HydrophobicContact CD2-CE1 3.72Å; L231-F264 HydrophobicContact CD2-CZ 4.19Å; L231-F264 HydrophobicContact CG-CE1 4.3Å; L231-F264 CarbonylContact O-C 3.59Å; L231-F264 VanDerWaalsContact O-CA 3.32Å; L231-F264 WeakPolarHBondContact O-CA 3.3Å; M243-F264 HydrophobicContact CB-CZ 4.22Å; M243-F264 HydrophobicContact CE-CB 3.4Å; M243-F264 VanDerWaalsContact CE-CB 3.4Å; M243-F264 HydrophobicContact CE-CD1 3.83Å; M243-F264 HydrophobicContact CE-CD2 3.85Å; M243-F264 HydrophobicContact CE-CG 3.43Å; M243-F264 VanDerWaalsContact CE-CG 3.43Å; M243-F264 HydrophobicContact CG-CD1 3.83Å; M243-F264 HydrophobicContact CG-CD2 3.85Å; M243-F264 HydrophobicContact CG-CE1 3.58Å; M243-F264 HydrophobicContact CG-CE2 3.62Å; M243-F264 HydrophobicContact CG-CG 3.95Å; M243-F264 HydrophobicContact CG-CZ 3.48Å; M243-F264 VanDerWaalsContact CG-CZ 3.48Å; M243-F264 HydrophobicContact SD-CD2 4.44Å; M243-F264 HydrophobicContact SD-CG 4.47Å; L246-F264 HydrophobicContact CD2-CE1 4.42Å; L246-F264 HydrophobicContact CD2-CZ 3.75Å; F257-F264 HydrophobicContact CD2-CE2 4.33Å; F257-F264 HydrophobicContact CE1-CE2 4.18Å; F257-F264 HydrophobicContact CE2-CD2 4.35Å; F257-F264 AromaticContact CE2-CE2 3.8Å; F257-F264 HydrophobicContact CE2-CE2 3.8Å; F257-F264 HydrophobicContact CZ-CD2 4.35Å; F257-F264 AromaticContact CZ-CE2 3.71Å; F257-F264 HydrophobicContact CZ-CE2 3.71Å; I262-F264 HydrophobicContact CB-CE2 4.49Å; I262-F264 HydrophobicContact CG2-CD2 3.99Å; I262-F264 HydrophobicContact CG2-CE2 3.41Å; I262-F264 VanDerWaalsContact CG2-CE2 3.41Å; I262-F264 HydrophobicContact CG2-CZ 3.89Å
265	R	97.2	Very high	95.6	Very high	116 Å²	116	65 Å²	65	44%	0.438	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.4	173.2	-59.4	-178.1	173.3	-92.7	-4.3	111	L231 I232 D233	L231-R265 PolarHBondContact O-N 3.38Å; I232-R265 VanDerWaalsContact CA-O 3.3Å; I232-R265 WeakPolarHBondContact CA-O 3.34Å; I232-R265 HydrophobicContact CG1-CB 4.17Å; D233-R265 PolarHBondContact N-O 3.4Å
266	K	96	Very high	95.8	Very high	105 Å²	105	61.4 Å²	61.4	46%	0.457	33%	0.332	S	S	.	.	S	Bend	trans	-79	-37.6	172.5	-166.2	173	-178.2	165.2	0	112.6	D233 S234	D233-K266 CarbonylContact C-O 3.57Å; D233-K266 WeakPolarHBondContact O-CA 3.31Å; S234-K266 VanDerWaalsContact O-CE 3.24Å; S234-K266 WeakPolarHBondContact O-CE 3.3Å
267	F	96.2	Very high	96	Very high	125 Å²	125	58.7 Å²	58.7	55%	0.548	31%	0.313	S	S	.	.	S	Bend	trans	-139.8	165.2	-176.7	-54.4	-66.3	0	0	0	111
268	L	95.6	Very high	96.1	Very high	35 Å²	35	57.4 Å²	57.4	18%	0.183	31%	0.307	C	S	.	.			trans	-58.2	146.3	171.3	-68.6	166.7	0	0	0	110.3	L205 Y207 I232 L297 N300 L301	L205-L268 HydrophobicContact CD2-CD2 4.1Å; Y207-L268 HydrophobicContact CD2-CD2 4.05Å; Y207-L268 HydrophobicContact CD2-CG 4.31Å; Y207-L268 HydrophobicContact CE2-CD1 4.1Å; Y207-L268 HydrophobicContact CE2-CD2 3.98Å; Y207-L268 HydrophobicContact CE2-CG 3.72Å; I232-L268 HydrophobicContact CD1-CD2 3.72Å; I232-L268 HydrophobicContact CD1-CG 4.37Å; L268-L297 HydrophobicContact CD1-CD1 4.36Å; L268-N300 HydrophobicContact CD1-CB 4.22Å; L268-L301 HydrophobicContact CD1-CD2 3.99Å; L268-L301 HydrophobicContact CD2-CD2 4.05Å
269	A	94.5	Very high	96.2	Very high	16 Å²	16	57 Å²	57	13%	0.132	31%	0.305	C	S	.	.			trans	-62.1	144.6	171.5	0	0	0	0	0	110.1	S271 N274 R304	A269-S271 VanDerWaalsContact C-N 3.34Å; A269-S271 PolarHBondContact O-N 3.4Å; A269-N274 HydrophobicContact CB-CB 4.26Å; A269-R304 PolarHBondContact O-NH2 2.91Å
270	P	93.8	Very high	96.3	Very high	135 Å²	135	56.8 Å²	56.8	88%	0.877	30%	0.304	S	S	*	.	S	Bend	trans	-62.2	-39.6	176.4	-26	35.1	0	0	0	113.2
271	S	93.7	Very high	96.5	Very high	62 Å²	62	54.6 Å²	54.6	43%	0.434	29%	0.289	S	S	.	.	S	Bend	trans	-69.9	130.9	179.4	174.6	0	0	0	0	111.7	A269 N273 R304	A269-S271 VanDerWaalsContact C-N 3.34Å; A269-S271 PolarHBondContact O-N 3.4Å; S271-N273 PolarHBondContact O-N 3.29Å; S271-N273 WeakPolarHBondContact OG-CB 3.44Å; S271-N273 PolarHBondContact OG-N 3.48Å; S271-R304 VanDerWaalsContact C-NH2 3.3Å; S271-R304 PolarHBondContact O-NH1 2.86Å; S271-R304 PolarHBondContact O-NH2 3.48Å
272	L	92.9	Very high	96.5	Very high	78 Å²	78	51.3 Å²	51.3	41%	0.408	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.6	175.3	-67.7	173.6	0	0	0	113.8	N274 T275 K303	L272-N274 PolarHBondContact O-N 2.94Å; L272-T275 WeakPolarHBondContact O-CG2 3.29Å; L272-K303 HydrophobicContact CD1-CD 4.31Å; L272-K303 HydrophobicContact CD2-CB 4.17Å; L272-K303 HydrophobicContact CD2-CD 4.38Å
273	N	93.3	Very high	96.4	Very high	144 Å²	144	52.7 Å²	52.7	77%	0.77	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.1	-179.6	-62.4	-6.9	0	0	0	113.2	S271 T275	S271-N273 PolarHBondContact O-N 3.29Å; S271-N273 WeakPolarHBondContact OG-CB 3.44Å; S271-N273 PolarHBondContact OG-N 3.48Å; N273-T275 PolarHBondContact O-N 3.33Å
274	N	94.4	Very high	96.2	Very high	52 Å²	52	52 Å²	52	28%	0.278	27%	0.268	S	S	.	.			trans	-81.7	92.6	173.3	-170	-66.2	0	0	0	109	A269 L272 F276 R304	A269-N274 HydrophobicContact CB-CB 4.26Å; L272-N274 PolarHBondContact O-N 2.94Å; N274-F276 WeakPolarHBondContact OD1-CE2 3.5Å; N274-F276 WeakPolarHBondContact OD1-CZ 3.49Å; N274-R304 WeakPolarHBondContact O-CG 3.43Å; N274-R304 PolarHBondContact O-NH1 3.13Å
275	T	98.1	Very high	96	Very high	49 Å²	49	50.8 Å²	50.8	30%	0.301	26%	0.263	S	S	.	.			trans	-114.7	161.6	-176.7	70.4	0	0	0	0	112.2	L272 N273 R304 N306	L272-T275 WeakPolarHBondContact O-CG2 3.29Å; N273-T275 PolarHBondContact O-N 3.33Å; T275-R304 CarbonylContact C-O 3.55Å; T275-R304 WeakPolarHBondContact CA-O 3.48Å; T275-R304 VanDerWaalsContact CB-O 3.27Å; T275-R304 WeakPolarHBondContact CB-O 3.44Å; T275-N306 WeakPolarHBondContact CB-OD1 3.28Å; T275-N306 PolarHBondContact OG1-ND2 2.98Å; T275-N306 PolarHBondContact OG1-OD1 3.5Å
276	F	98.6	Very high	95.6	Very high	12 Å²	12	45.7 Å²	45.7	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141	-174	-59.5	-87.7	0	0	0	111.7	T203 L205 Q230 N274 I279 R304 T305 N306	T203-F276 WeakPolarHBondContact OG1-CA 3.33Å; L205-F276 HydrophobicContact CB-CB 4.12Å; L205-F276 HydrophobicContact CB-CD1 3.69Å; L205-F276 HydrophobicContact CB-CD2 3.68Å; L205-F276 HydrophobicContact CB-CE1 3.98Å; L205-F276 HydrophobicContact CB-CE2 3.97Å; L205-F276 HydrophobicContact CB-CG 3.53Å; L205-F276 HydrophobicContact CB-CZ 4.11Å; L205-F276 HydrophobicContact CD1-CE2 4.48Å; L205-F276 HydrophobicContact CD1-CZ 4.41Å; L205-F276 HydrophobicContact CD2-CD2 3.82Å; L205-F276 HydrophobicContact CD2-CE2 3.79Å; L205-F276 HydrophobicContact CD2-CZ 4.49Å; L205-F276 HydrophobicContact CG-CD2 4.32Å; L205-F276 HydrophobicContact CG-CE2 4.3Å; Q230-F276 HydrophobicContact CB-CE1 3.71Å; Q230-F276 HydrophobicContact CB-CZ 3.94Å; Q230-F276 HydrophobicContact CG-CZ 4.34Å; Q230-F276 VanDerWaalsContact OE1-CZ 3.26Å; N274-F276 WeakPolarHBondContact OD1-CE2 3.5Å; N274-F276 WeakPolarHBondContact OD1-CZ 3.49Å; F276-I279 HydrophobicContact CB-CG1 3.88Å; F276-I279 HydrophobicContact CD2-CD1 4.42Å; F276-I279 HydrophobicContact CD2-CG1 4.43Å; F276-I279 HydrophobicContact CG-CG1 4.5Å; F276-R304 PolarHBondContact N-O 2.79Å; F276-T305 CarbonylContact O-C 3.59Å; F276-N306 PolarHBondContact O-N 3.22Å
277	D	98.6	Very high	95.2	Very high	27 Å²	27	42.9 Å²	42.9	14%	0.144	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-42.7	176.2	-68.5	-15.3	0	0	0	112.3	Y199 P201 E202 T203 N306 K307 Y308	Y199-D277 WeakPolarHBondContact OH-CB 3.19Å; P201-D277 HydrophobicContact CB-CB 3.59Å; E202-D277 WeakPolarHBondContact CB-OD2 3.44Å; E202-D277 PolarHBondContact N-OD2 3.06Å; T203-D277 PolarHBondContact N-OD2 3.41Å; T203-D277 WeakPolarHBondContact O-CB 3.39Å; T203-D277 PolarHBondContact O-N 3.41Å; T203-D277 VanDerWaalsContact O-N 3.12Å; T203-D277 PolarHBondContact OG1-N 3.34Å; D277-N306 PolarHBondContact OD1-ND2 2.85Å; D277-K307 WeakPolarHBondContact O-CB 3.24Å; D277-K307 PolarHBondContact O-N 3.32Å; D277-Y308 PolarHBondContact O-N 3.11Å
278	V	98.8	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.4	174.8	177.5	0	0	0	0	109.9	Y199 P201 T203 V204 L205 W222 I280 Y308 V310	Y199-V278 HydrophobicContact CE1-CG2 3.98Å; P201-V278 HydrophobicContact CB-CB 4.32Å; P201-V278 HydrophobicContact CB-CG2 3.73Å; P201-V278 HydrophobicContact CG-CB 4.42Å; P201-V278 HydrophobicContact CG-CG2 3.88Å; T203-V278 PolarHBondContact O-N 3.04Å; T203-V278 VanDerWaalsContact O-N 3.17Å; V204-V278 CarbonylContact C-O 3.6Å; V204-V278 VanDerWaalsContact CA-O 3.31Å; V204-V278 WeakPolarHBondContact CA-O 3.32Å; V204-V278 HydrophobicContact CG2-CB 4.37Å; L205-V278 PolarHBondContact N-O 3.24Å; W222-V278 HydrophobicContact CH2-CG1 4.25Å; W222-V278 HydrophobicContact CH2-CG2 4.28Å; V278-I280 HydrophobicContact CG1-CG1 3.93Å; V278-Y308 VanDerWaalsContact CA-O 3.31Å; V278-Y308 WeakPolarHBondContact CA-O 3.43Å; V278-Y308 HydrophobicContact CG2-CD2 4.29Å; V278-V310 HydrophobicContact CG1-CG2 4.09Å
279	I	98.8	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.9	168	-57.3	-174.8	0	0	0	108.2	L205 F276 V281 L301 R304 T305 Y308 L309 V310	L205-I279 HydrophobicContact CB-CB 4.49Å; L205-I279 HydrophobicContact CB-CG1 4.12Å; L205-I279 HydrophobicContact CB-CG2 4.38Å; L205-I279 HydrophobicContact CD2-CD1 4.06Å; L205-I279 HydrophobicContact CD2-CG1 4.14Å; L205-I279 HydrophobicContact CD2-CG2 3.93Å; L205-I279 HydrophobicContact CG-CG2 4.18Å; L205-I279 CarbonylContact O-C 3.53Å; L205-I279 WeakPolarHBondContact O-CA 3.36Å; F276-I279 HydrophobicContact CB-CG1 3.88Å; F276-I279 HydrophobicContact CD2-CD1 4.42Å; F276-I279 HydrophobicContact CD2-CG1 4.43Å; F276-I279 HydrophobicContact CG-CG1 4.5Å; I279-V281 HydrophobicContact CG2-CG2 4.34Å; I279-L301 HydrophobicContact CD1-CB 4.4Å; I279-L301 HydrophobicContact CD1-CD2 4.44Å; I279-L301 VanDerWaalsContact CD1-O 3.28Å; I279-L301 WeakPolarHBondContact CD1-O 3.25Å; I279-L301 HydrophobicContact CG2-CD1 4.5Å; I279-L301 HydrophobicContact CG2-CD2 4.17Å; I279-R304 HydrophobicContact CD1-CB 3.98Å; I279-T305 WeakPolarHBondContact CD1-OG1 3.26Å; I279-Y308 PolarHBondContact N-O 2.94Å; I279-L309 HydrophobicContact CB-CD1 3.73Å; I279-L309 HydrophobicContact CG2-CD1 3.69Å; I279-V310 PolarHBondContact O-N 2.87Å
280	I	98.8	Very high	94	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.4	176.9	-52.6	173.6	0	0	0	108.4	V187 L191 V204 L205 Y207 A214 A218 V278 V310	V187-I280 HydrophobicContact CG1-CD1 4.4Å; V187-I280 HydrophobicContact CG1-CG2 4.25Å; L191-I280 HydrophobicContact CD1-CD1 4.14Å; L191-I280 HydrophobicContact CD2-CD1 4.01Å; V204-I280 HydrophobicContact CG1-CD1 4.19Å; L205-I280 PolarHBondContact O-N 2.91Å; Y207-I280 PolarHBondContact N-O 2.84Å; A214-I280 HydrophobicContact CB-CG2 3.97Å; A218-I280 HydrophobicContact CB-CD1 4.29Å; V278-I280 HydrophobicContact CG1-CG1 3.93Å; I280-V310 WeakPolarHBondContact CA-O 3.36Å; I280-V310 HydrophobicContact CG1-CB 4.32Å; I280-V310 HydrophobicContact CG2-CG1 4.42Å
281	V	98.5	Very high	93.9	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.8	171.7	-173.8	0	0	0	0	107.5	I279 L284 L301 L309 V310 L311 I312	I279-V281 HydrophobicContact CG2-CG2 4.34Å; V281-L284 HydrophobicContact CG1-CB 3.78Å; V281-L284 HydrophobicContact CG1-CD2 3.95Å; V281-L284 HydrophobicContact CG1-CG 4.5Å; V281-L301 HydrophobicContact CG2-CD1 3.49Å; V281-L301 VanDerWaalsContact CG2-CD1 3.49Å; V281-L309 HydrophobicContact CG2-CD1 4.29Å; V281-V310 PolarHBondContact N-O 3.13Å; V281-L311 HydrophobicContact CB-CD2 3.68Å; V281-L311 HydrophobicContact CG1-CD2 4.42Å; V281-L311 HydrophobicContact CG2-CD2 3.68Å; V281-I312 PolarHBondContact O-N 2.81Å
282	H	97.6	Very high	93.8	Very high	13 Å²	13	44.7 Å²	44.7	6%	0.06	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	118.1	-176.3	-176.8	-96.9	0	0	0	110.9	N183 E186 V187 L284 I312	N183-H282 WeakPolarHBondContact CB-CE1 3.4Å; N183-H282 PolarHBondContact ND2-ND1 2.91Å; N183-H282 PolarHBondContact OD1-CE1 3.39Å; E186-H282 IonicContact OE2-CE1 3.01Å; E186-H282 PolarHBondContact OE2-CE1 3.26Å; E186-H282 VanDerWaalsContact OE2-CE1 3.3Å; E186-H282 IonicContact OE2-NE2 3.96Å; E186-H282 PolarHBondContact OE2-NE2 2.98Å; V187-H282 HydrophobicContact CG2-CB 4.13Å; V187-H282 VanDerWaalsContact CG2-CD2 3.43Å; V187-H282 WeakPolarHBondContact CG2-CD2 3.42Å; H282-L284 VanDerWaalsContact C-N 3.27Å; H282-L284 PolarHBondContact O-N 3.39Å; H282-I312 CarbonylContact C-O 3.55Å; H282-I312 WeakPolarHBondContact CA-O 3.3Å
283	R	94.7	Very high	93.9	Very high	50 Å²	50	43.3 Å²	43.3	19%	0.189	24%	0.235	C	C	.	.	S	Bend	trans	50	44.4	173.8	-66.8	-177	171.9	-95.3	7.4	114.4	R179 E186 I312	R179-R283 VanDerWaalsContact NH2-CZ 3.34Å; E186-R283 IonicContact OE1-CZ 2.69Å; E186-R283 IonicContact OE1-NE 2.64Å; E186-R283 IonicContact OE1-NH2 3.67Å; E186-R283 PolarHBondContact OE1-NH2 2.78Å; E186-R283 IonicContact OE2-CZ 3Å; E186-R283 IonicContact OE2-NE 2.69Å; E186-R283 PolarHBondContact OE2-NE 3.4Å; E186-R283 IonicContact OE2-NH2 3.35Å; E186-R283 PolarHBondContact OE2-NH2 3.36Å; R283-I312 PolarHBondContact N-O 2.84Å
284	L	93.4	Very high	94	Very high	32 Å²	32	38 Å²	38	17%	0.168	20%	0.204	C	C	.	.			trans	-109.7	-24.8	-178.8	-172.1	66.8	0	0	0	112.8	Y207 V281 H282 A286 E287 L297	Y207-L284 HydrophobicContact CD1-CD2 3.32Å; Y207-L284 HydrophobicContact CE1-CD2 3.34Å; V281-L284 HydrophobicContact CG1-CB 3.78Å; V281-L284 HydrophobicContact CG1-CD2 3.95Å; V281-L284 HydrophobicContact CG1-CG 4.5Å; H282-L284 VanDerWaalsContact C-N 3.27Å; H282-L284 PolarHBondContact O-N 3.39Å; L284-A286 VanDerWaalsContact C-N 3.27Å; L284-A286 PolarHBondContact O-N 3.4Å; L284-E287 HydrophobicContact CD1-CB 4.29Å; L284-E287 HydrophobicContact CD1-CG 4.44Å; L284-E287 WeakPolarHBondContact O-CA 3.46Å; L284-E287 VanDerWaalsContact O-CB 3.3Å; L284-E287 WeakPolarHBondContact O-CB 3.38Å; L284-E287 PolarHBondContact O-N 3.39Å; L284-L297 HydrophobicContact CD2-CD2 4.22Å
285	L	92.9	Very high	94	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.073	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-64.8	-34.9	-171	-57.4	177.1	0	0	0	111.6	F104 E287 L288 D313 A322 L323	F104-L285 HydrophobicContact CE1-CB 4.06Å; F104-L285 HydrophobicContact CZ-CB 3.93Å; L285-E287 PolarHBondContact O-N 3.44Å; L285-L288 PolarHBondContact O-N 2.89Å; L285-D313 WeakPolarHBondContact CB-OD2 3.4Å; L285-D313 PolarHBondContact N-OD2 3.19Å; L285-A322 HydrophobicContact CB-CB 4.36Å; L285-A322 HydrophobicContact CD1-CB 4Å; L285-L323 HydrophobicContact CD1-CD2 3.97Å; L285-L323 HydrophobicContact CD1-CG 4.35Å
286	A	88.3	Confident	94	Very high	9 Å²	9	40.8 Å²	40.8	7%	0.074	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-69.7	-13.2	174.5	0	0	0	0	0	113.9	F104 W161 L284	F104-A286 HydrophobicContact CD2-CB 4.05Å; F104-A286 HydrophobicContact CE1-CB 4.28Å; F104-A286 HydrophobicContact CE2-CB 3.63Å; F104-A286 HydrophobicContact CZ-CB 3.78Å; W161-A286 PolarHBondContact NE1-O 2.79Å; L284-A286 VanDerWaalsContact C-N 3.27Å; L284-A286 PolarHBondContact O-N 3.4Å
287	E	88.7	Confident	93.9	Very high	45 Å²	45	41 Å²	41	21%	0.21	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-85.7	-13	175.7	-55.2	-53.6	134.8	0	0	112.3	R102 L164 L284 L285	R102-E287 IonicContact CZ-OE1 3.41Å; R102-E287 IonicContact CZ-OE2 2.78Å; R102-E287 IonicContact NE-OE1 2.72Å; R102-E287 PolarHBondContact NE-OE1 2.81Å; R102-E287 IonicContact NE-OE2 3.57Å; R102-E287 VanDerWaalsContact NH2-CD 3.34Å; R102-E287 IonicContact NH2-OE1 3.51Å; R102-E287 PolarHBondContact NH2-OE1 3.02Å; R102-E287 IonicContact NH2-OE2 3.15Å; R102-E287 PolarHBondContact NH2-OE2 3.31Å; L164-E287 WeakPolarHBondContact CG-OE2 3.39Å; L284-E287 HydrophobicContact CD1-CB 4.29Å; L284-E287 HydrophobicContact CD1-CG 4.44Å; L284-E287 WeakPolarHBondContact O-CA 3.46Å; L284-E287 VanDerWaalsContact O-CB 3.3Å; L284-E287 WeakPolarHBondContact O-CB 3.38Å; L284-E287 PolarHBondContact O-N 3.39Å; L285-E287 PolarHBondContact O-N 3.44Å
288	L	89.3	Confident	93.8	Very high	41 Å²	41	40.3 Å²	40.3	22%	0.215	21%	0.213	C	C	.	.	S	Bend	trans	-92.7	120.7	177.4	-61.6	171.4	0	0	0	110	L285 S290 R294 L297	L285-L288 PolarHBondContact O-N 2.89Å; L288-S290 PolarHBondContact O-N 2.78Å; L288-R294 HydrophobicContact CB-CG 3.7Å; L288-R294 HydrophobicContact CD1-CB 4.43Å; L288-R294 HydrophobicContact CD1-CG 3.81Å; L288-R294 HydrophobicContact CG-CG 4.4Å; L288-L297 HydrophobicContact CD1-CB 4.45Å; L288-L297 HydrophobicContact CD1-CD2 3.62Å
289	A	83.3	Confident	93.8	Very high	60 Å²	60	41.4 Å²	41.4	50%	0.496	22%	0.219	S	C	.	.	S	Bend	trans	-67.6	-32.8	-169.7	0	0	0	0	0	114	P105 W161	P105-A289 WeakPolarHBondContact CG-O 3.41Å; W161-A289 HydrophobicContact CH2-CB 3.79Å; W161-A289 HydrophobicContact CZ3-CB 4.07Å
290	S	88.2	Confident	93.7	Very high	42 Å²	42	43.9 Å²	43.9	29%	0.294	23%	0.232	S	C	.	.	S	Bend	trans	-122	154.4	-175.7	68.3	0	0	0	0	111.8	L288 E292 S293 R294	L288-S290 PolarHBondContact O-N 2.78Å; S290-E292 VanDerWaalsContact C-N 3.3Å; S290-S293 PolarHBondContact O-N 2.9Å; S290-S293 WeakPolarHBondContact OG-CB 3.46Å; S290-S293 PolarHBondContact OG-N 2.82Å; S290-S293 VanDerWaalsContact OG-N 3.11Å; S290-S293 PolarHBondContact OG-OG 2.95Å; S290-R294 WeakPolarHBondContact O-CG 3.3Å; S290-R294 PolarHBondContact O-N 2.88Å; S290-R294 PolarHBondContact O-NH1 3.19Å
291	E	90.6	Very high	93.7	Very high	115 Å²	115	44 Å²	44	54%	0.537	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-40.9	170.3	-171.2	-177.5	155.2	0	0	111.7	S293 R294 T295	E291-S293 PolarHBondContact O-N 3.3Å; E291-R294 VanDerWaalsContact CA-CZ 3.49Å; E291-R294 WeakPolarHBondContact O-CB 2.85Å; E291-R294 PolarHBondContact O-N 2.78Å; E291-R294 VanDerWaalsContact O-N 3.07Å; E291-T295 PolarHBondContact O-N 3.4Å; E291-T295 PolarHBondContact O-OG1 3.42Å; E291-T295 VanDerWaalsContact O-OG1 3.11Å
292	E	92.8	Very high	93.7	Very high	154 Å²	154	43.9 Å²	43.9	72%	0.72	23%	0.232	S	C	*	.	H	α-helix	trans	-54.8	-48.6	176.1	-174.6	179	-171.4	0	0	112.2	S290 R294 T295 E296	S290-E292 VanDerWaalsContact C-N 3.3Å; E292-R294 VanDerWaalsContact C-N 3.3Å; E292-R294 PolarHBondContact O-N 3.25Å; E292-T295 PolarHBondContact O-N 2.87Å; E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.29Å
293	S	93.6	Very high	93.7	Very high	49 Å²	49	47.6 Å²	47.6	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-33.1	177.6	-62.3	0	0	0	0	112.7	S290 E291 L297	S290-S293 PolarHBondContact O-N 2.9Å; S290-S293 WeakPolarHBondContact OG-CB 3.46Å; S290-S293 PolarHBondContact OG-N 2.82Å; S290-S293 VanDerWaalsContact OG-N 3.11Å; S290-S293 PolarHBondContact OG-OG 2.95Å; E291-S293 PolarHBondContact O-N 3.3Å; S293-L297 WeakPolarHBondContact O-CB 3.38Å; S293-L297 PolarHBondContact O-N 2.78Å
294	R	95.2	Very high	93.9	Very high	33 Å²	33	45.6 Å²	45.6	13%	0.125	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-44.5	173.1	-67.4	-169.2	-61.4	-87.3	6.1	111	L288 S290 E291 E292 L297 L298 E325	L288-R294 HydrophobicContact CB-CG 3.7Å; L288-R294 HydrophobicContact CD1-CB 4.43Å; L288-R294 HydrophobicContact CD1-CG 3.81Å; L288-R294 HydrophobicContact CG-CG 4.4Å; S290-R294 WeakPolarHBondContact O-CG 3.3Å; S290-R294 PolarHBondContact O-N 2.88Å; S290-R294 PolarHBondContact O-NH1 3.19Å; E291-R294 VanDerWaalsContact CA-CZ 3.49Å; E291-R294 WeakPolarHBondContact O-CB 2.85Å; E291-R294 PolarHBondContact O-N 2.78Å; E291-R294 VanDerWaalsContact O-N 3.07Å; E292-R294 VanDerWaalsContact C-N 3.3Å; E292-R294 PolarHBondContact O-N 3.25Å; R294-L297 PolarHBondContact O-N 2.62Å; R294-L298 VanDerWaalsContact O-CB 3.24Å; R294-L298 WeakPolarHBondContact O-CB 3.31Å; R294-L298 PolarHBondContact O-N 3.4Å; R294-E325 IonicContact NH2-OE2 3.01Å
295	T	96.1	Very high	94.1	Very high	38 Å²	38	44 Å²	44	23%	0.233	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-39.6	-179.7	-61.1	0	0	0	0	112.3	E291 E292 L298 T299 Y329	E291-T295 PolarHBondContact O-N 3.4Å; E291-T295 PolarHBondContact O-OG1 3.42Å; E291-T295 VanDerWaalsContact O-OG1 3.11Å; E292-T295 PolarHBondContact O-N 2.87Å; T295-L298 PolarHBondContact O-N 3.19Å; T295-T299 WeakPolarHBondContact O-CB 3.43Å; T295-T299 PolarHBondContact O-N 3.43Å; T295-T299 PolarHBondContact O-OG1 3.44Å; T295-Y329 HydrophobicContact CG2-CD1 4.34Å; T295-Y329 HydrophobicContact CG2-CD2 3.92Å; T295-Y329 HydrophobicContact CG2-CE1 3.81Å; T295-Y329 HydrophobicContact CG2-CE2 3.36Å; T295-Y329 HydrophobicContact CG2-CG 4.37Å
296	E	96.4	Very high	94.4	Very high	120 Å²	120	46.6 Å²	46.6	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-63	-49.1	173.6	-174.1	-173.1	177.6	0	0	110.9	E292 L298 T299 N300	E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.29Å; E296-L298 VanDerWaalsContact C-N 3.33Å; E296-L298 PolarHBondContact O-N 3.37Å; E296-T299 WeakPolarHBondContact O-CB 3.3Å; E296-T299 PolarHBondContact O-N 3.41Å; E296-N300 PolarHBondContact O-N 3.02Å; E296-N300 PolarHBondContact O-ND2 3.18Å
297	L	96.7	Very high	94.8	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.094	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-49.4	175.9	174.3	61.6	0	0	0	110.8	Y207 L268 L284 L288 S293 R294 T299 N300 L301	Y207-L297 HydrophobicContact CD1-CD1 4.24Å; Y207-L297 HydrophobicContact CD1-CD2 4.26Å; Y207-L297 HydrophobicContact CE1-CD1 3.42Å; Y207-L297 VanDerWaalsContact CE1-CD1 3.42Å; Y207-L297 HydrophobicContact CE1-CD2 3.6Å; Y207-L297 HydrophobicContact CE1-CG 4.14Å; Y207-L297 HydrophobicContact CE2-CD1 4.34Å; Y207-L297 VanDerWaalsContact CZ-CD1 3.49Å; Y207-L297 WeakPolarHBondContact OH-CD1 3.48Å; L268-L297 HydrophobicContact CD1-CD1 4.36Å; L284-L297 HydrophobicContact CD2-CD2 4.22Å; L288-L297 HydrophobicContact CD1-CB 4.45Å; L288-L297 HydrophobicContact CD1-CD2 3.62Å; S293-L297 WeakPolarHBondContact O-CB 3.38Å; S293-L297 PolarHBondContact O-N 2.78Å; R294-L297 PolarHBondContact O-N 2.62Å; L297-T299 VanDerWaalsContact C-N 3.29Å; L297-T299 PolarHBondContact O-N 3.03Å; L297-N300 PolarHBondContact O-N 3.27Å; L297-N300 VanDerWaalsContact O-N 3.13Å; L297-L301 HydrophobicContact CD1-CD1 3.8Å; L297-L301 HydrophobicContact CD1-CD2 4.22Å; L297-L301 HydrophobicContact CD1-CG 3.75Å; L297-L301 HydrophobicContact CD2-CD1 4.31Å; L297-L301 HydrophobicContact CG-CD1 3.82Å; L297-L301 HydrophobicContact CG-CG 4.16Å; L297-L301 WeakPolarHBondContact O-CG 3.47Å; L297-L301 PolarHBondContact O-N 2.95Å
298	L	98	Very high	95.3	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-57.4	-43.8	-179.8	-178.2	65.1	0	0	0	111.7	R294 T295 E296 L301 W302 L309 L311 A326 Y329 I330	R294-L298 VanDerWaalsContact O-CB 3.24Å; R294-L298 WeakPolarHBondContact O-CB 3.31Å; R294-L298 PolarHBondContact O-N 3.4Å; T295-L298 PolarHBondContact O-N 3.19Å; E296-L298 VanDerWaalsContact C-N 3.33Å; E296-L298 PolarHBondContact O-N 3.37Å; L298-L301 PolarHBondContact O-N 3.39Å; L298-W302 VanDerWaalsContact O-CB 3.29Å; L298-W302 WeakPolarHBondContact O-CB 3.12Å; L298-W302 PolarHBondContact O-N 2.95Å; L298-L309 HydrophobicContact CD1-CD2 3.78Å; L298-L311 HydrophobicContact CD1-CD1 4.08Å; L298-A326 HydrophobicContact CD1-CB 4.07Å; L298-A326 VanDerWaalsContact CD2-CA 3.42Å; L298-A326 HydrophobicContact CD2-CB 3.58Å; L298-A326 HydrophobicContact CG-CB 4.47Å; L298-Y329 HydrophobicContact CD2-CD1 3.57Å; L298-Y329 HydrophobicContact CD2-CE1 4.35Å; L298-Y329 HydrophobicContact CD2-CG 4.22Å; L298-Y329 HydrophobicContact CG-CD1 4.29Å; L298-I330 HydrophobicContact CD1-CD1 3.71Å; L298-I330 HydrophobicContact CD1-CG1 4.39Å; L298-I330 HydrophobicContact CD2-CD1 4.45Å; L298-I330 HydrophobicContact CD2-CG1 4.32Å; L298-I330 HydrophobicContact CG-CD1 4.16Å; L298-I330 HydrophobicContact CG-CG1 4.31Å
299	T	97.7	Very high	95.7	Very high	22 Å²	22	45.9 Å²	45.9	14%	0.135	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-46.8	176	-61	0	0	0	0	111	T295 E296 L297 W302 K303 Y329 L388	T295-T299 WeakPolarHBondContact O-CB 3.43Å; T295-T299 PolarHBondContact O-N 3.43Å; T295-T299 PolarHBondContact O-OG1 3.44Å; E296-T299 WeakPolarHBondContact O-CB 3.3Å; E296-T299 PolarHBondContact O-N 3.41Å; L297-T299 VanDerWaalsContact C-N 3.29Å; L297-T299 PolarHBondContact O-N 3.03Å; T299-W302 PolarHBondContact O-N 3.03Å; T299-K303 HydrophobicContact CG2-CD 4.33Å; T299-K303 WeakPolarHBondContact O-CG 3.32Å; T299-K303 PolarHBondContact O-N 3.29Å; T299-K303 VanDerWaalsContact O-N 3.12Å; T299-Y329 WeakPolarHBondContact OG1-CE1 3.48Å; T299-Y329 PolarHBondContact OG1-OH 3.32Å; T299-L388 HydrophobicContact CG2-CD2 3.99Å
300	N	97.4	Very high	96.5	Very high	52 Å²	52	43 Å²	43	28%	0.278	22%	0.215	S	C	.	.	H	α-helix	trans	-65.6	-40	179.4	-76.9	-40.5	0	0	0	112.7	L268 E296 L297 R304	L268-N300 HydrophobicContact CD1-CB 4.22Å; E296-N300 PolarHBondContact O-N 3.02Å; E296-N300 PolarHBondContact O-ND2 3.18Å; L297-N300 PolarHBondContact O-N 3.27Å; L297-N300 VanDerWaalsContact O-N 3.13Å; N300-R304 WeakPolarHBondContact O-CG 3.14Å; N300-R304 PolarHBondContact O-N 2.98Å
301	L	98.3	Very high	97	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-70.4	-41.1	176.8	-66.1	179.6	0	0	0	111.6	L205 Y207 L268 I279 V281 L297 L298 K303 R304 T305 L309	L205-L301 HydrophobicContact CD2-CD2 4.29Å; Y207-L301 HydrophobicContact CD1-CD1 4.24Å; Y207-L301 HydrophobicContact CD2-CD2 4.11Å; Y207-L301 HydrophobicContact CG-CD1 4.48Å; Y207-L301 HydrophobicContact CG-CD2 4.13Å; L268-L301 HydrophobicContact CD1-CD2 3.99Å; L268-L301 HydrophobicContact CD2-CD2 4.05Å; I279-L301 HydrophobicContact CD1-CB 4.4Å; I279-L301 HydrophobicContact CD1-CD2 4.44Å; I279-L301 VanDerWaalsContact CD1-O 3.28Å; I279-L301 WeakPolarHBondContact CD1-O 3.25Å; I279-L301 HydrophobicContact CG2-CD1 4.5Å; I279-L301 HydrophobicContact CG2-CD2 4.17Å; V281-L301 HydrophobicContact CG2-CD1 3.49Å; V281-L301 VanDerWaalsContact CG2-CD1 3.49Å; L297-L301 HydrophobicContact CD1-CD1 3.8Å; L297-L301 HydrophobicContact CD1-CD2 4.22Å; L297-L301 HydrophobicContact CD1-CG 3.75Å; L297-L301 HydrophobicContact CD2-CD1 4.31Å; L297-L301 HydrophobicContact CG-CD1 3.82Å; L297-L301 HydrophobicContact CG-CG 4.16Å; L297-L301 WeakPolarHBondContact O-CG 3.47Å; L297-L301 PolarHBondContact O-N 2.95Å; L298-L301 PolarHBondContact O-N 3.39Å; L301-K303 PolarHBondContact O-N 3.37Å; L301-R304 CarbonylContact O-C 3.58Å; L301-R304 PolarHBondContact O-N 3.41Å; L301-T305 PolarHBondContact O-N 3.13Å; L301-T305 PolarHBondContact O-OG1 2.93Å; L301-L309 HydrophobicContact CB-CD1 4.24Å
302	W	98.5	Very high	97.3	Very high	1 Å²	1	36 Å²	36	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-41.6	179.7	-172.4	-117.4	0	0	0	112.4	L298 T299 R304 T305 L309 I330 E389 M444 K446	L298-W302 VanDerWaalsContact O-CB 3.29Å; L298-W302 WeakPolarHBondContact O-CB 3.12Å; L298-W302 PolarHBondContact O-N 2.95Å; T299-W302 PolarHBondContact O-N 3.03Å; W302-R304 PolarHBondContact O-N 3.16Å; W302-T305 HydrophobicContact CE3-CG2 4.3Å; W302-T305 HydrophobicContact CZ3-CG2 4.15Å; W302-T305 WeakPolarHBondContact O-CB 3.44Å; W302-T305 PolarHBondContact O-N 3.18Å; W302-T305 VanDerWaalsContact O-N 3.09Å; W302-L309 HydrophobicContact CE3-CB 3.93Å; W302-L309 HydrophobicContact CE3-CD2 4.02Å; W302-L309 HydrophobicContact CZ3-CB 3.95Å; W302-I330 HydrophobicContact CD2-CD1 4.07Å; W302-I330 HydrophobicContact CD2-CG1 4.39Å; W302-I330 HydrophobicContact CD2-CG2 4.16Å; W302-I330 HydrophobicContact CE3-CD1 3.99Å; W302-I330 HydrophobicContact CG-CD1 4.34Å; W302-I330 HydrophobicContact CG-CG1 4.36Å; W302-I330 HydrophobicContact CH2-CG2 4.23Å; W302-I330 HydrophobicContact CZ2-CG2 3.77Å; W302-E389 PolarHBondContact NE1-O 3.4Å; W302-M444 HydrophobicContact CH2-CB 4.04Å; W302-M444 HydrophobicContact CZ3-CB 3.71Å; W302-K446 HydrophobicContact CH2-CB 4.28Å; W302-K446 HydrophobicContact CH2-CG 3.49Å; W302-K446 VanDerWaalsContact CH2-CG 3.49Å; W302-K446 HydrophobicContact CZ2-CB 4.43Å; W302-K446 HydrophobicContact CZ2-CG 3.47Å; W302-K446 VanDerWaalsContact CZ2-CG 3.47Å; W302-K446 HydrophobicContact CZ3-CG 4.1Å; W302-K446 VanDerWaalsContact O-CE 3.3Å; W302-K446 WeakPolarHBondContact O-CE 3.42Å; W302-K446 PolarHBondContact O-NZ 3.25Å
303	K	97.6	Very high	97.5	Very high	91 Å²	91	29 Å²	29	40%	0.396	15%	0.145	S	C	.	.	H	α-helix	trans	-60.2	-25.6	173.2	-73.1	176.8	178.6	-179.5	0	113.2	L272 T299 L301	L272-K303 HydrophobicContact CD1-CD 4.31Å; L272-K303 HydrophobicContact CD2-CB 4.17Å; L272-K303 HydrophobicContact CD2-CD 4.38Å; T299-K303 HydrophobicContact CG2-CD 4.33Å; T299-K303 WeakPolarHBondContact O-CG 3.32Å; T299-K303 PolarHBondContact O-N 3.29Å; T299-K303 VanDerWaalsContact O-N 3.12Å; L301-K303 PolarHBondContact O-N 3.37Å
304	R	98.1	Very high	97.4	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-95.7	-7	178.2	-66.5	175	-176.9	-69.2	-10.2	114	A269 S271 N274 T275 F276 I279 N300 L301 W302	A269-R304 PolarHBondContact O-NH2 2.91Å; S271-R304 VanDerWaalsContact C-NH2 3.3Å; S271-R304 PolarHBondContact O-NH1 2.86Å; S271-R304 PolarHBondContact O-NH2 3.48Å; N274-R304 WeakPolarHBondContact O-CG 3.43Å; N274-R304 PolarHBondContact O-NH1 3.13Å; T275-R304 CarbonylContact C-O 3.55Å; T275-R304 WeakPolarHBondContact CA-O 3.48Å; T275-R304 VanDerWaalsContact CB-O 3.27Å; T275-R304 WeakPolarHBondContact CB-O 3.44Å; F276-R304 PolarHBondContact N-O 2.79Å; I279-R304 HydrophobicContact CD1-CB 3.98Å; N300-R304 WeakPolarHBondContact O-CG 3.14Å; N300-R304 PolarHBondContact O-N 2.98Å; L301-R304 CarbonylContact O-C 3.58Å; L301-R304 PolarHBondContact O-N 3.41Å; W302-R304 PolarHBondContact O-N 3.16Å
305	T	98.6	Very high	97.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.3	178.9	-60.9	0	0	0	0	108.2	F276 I279 L301 W302 L309 K446	F276-T305 CarbonylContact O-C 3.59Å; I279-T305 WeakPolarHBondContact CD1-OG1 3.26Å; L301-T305 PolarHBondContact O-N 3.13Å; L301-T305 PolarHBondContact O-OG1 2.93Å; W302-T305 HydrophobicContact CE3-CG2 4.3Å; W302-T305 HydrophobicContact CZ3-CG2 4.15Å; W302-T305 WeakPolarHBondContact O-CB 3.44Å; W302-T305 PolarHBondContact O-N 3.18Å; W302-T305 VanDerWaalsContact O-N 3.09Å; T305-L309 HydrophobicContact CG2-CB 4.22Å; T305-K446 WeakPolarHBondContact O-CD 3.37Å; T305-K446 WeakPolarHBondContact O-CE 3.35Å; T305-K446 PolarHBondContact O-NZ 3.09Å
306	N	98.3	Very high	96.8	Very high	68 Å²	68	26.6 Å²	26.6	36%	0.364	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-39.8	169.8	-59.9	-32.4	0	0	0	110.4	T275 F276 D277	T275-N306 WeakPolarHBondContact CB-OD1 3.28Å; T275-N306 PolarHBondContact OG1-ND2 2.98Å; T275-N306 PolarHBondContact OG1-OD1 3.5Å; F276-N306 PolarHBondContact O-N 3.22Å; D277-N306 PolarHBondContact OD1-ND2 2.85Å
307	K	97.8	Very high	96.3	Very high	70 Å²	70	23.4 Å²	23.4	30%	0.304	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	-59.4	-176.8	-163.2	64.7	-179	166.7	0	115.7	Y199 D277 A445 K446	Y199-K307 HydrophobicContact CE2-CG 4.28Å; Y199-K307 WeakPolarHBondContact OH-CB 3.18Å; D277-K307 WeakPolarHBondContact O-CB 3.24Å; D277-K307 PolarHBondContact O-N 3.32Å; K307-A445 CarbonylContact O-C 3.47Å; K307-A445 VanDerWaalsContact O-CA 3.3Å; K307-A445 WeakPolarHBondContact O-CA 3.44Å; K307-K446 PolarHBondContact NZ-O 3.48Å; K307-K446 PolarHBondContact O-N 3.33Å
308	Y	98.6	Very high	95.9	Very high	10 Å²	10	23.6 Å²	23.6	4%	0.039	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.7	-173.4	-60.4	-77.2	0	0	0	113.2	F194 N197 Y199 D277 V278 I279 F394 I443 M444 A445	F194-Y308 HydrophobicContact CD1-CD2 4.29Å; F194-Y308 HydrophobicContact CD1-CE2 4.15Å; F194-Y308 AromaticContact CE1-CD1 3.81Å; F194-Y308 HydrophobicContact CE1-CD1 3.81Å; F194-Y308 AromaticContact CE1-CD2 3.46Å; F194-Y308 HydrophobicContact CE1-CD2 3.46Å; F194-Y308 VanDerWaalsContact CE1-CD2 3.46Å; F194-Y308 HydrophobicContact CE1-CE1 4.01Å; F194-Y308 AromaticContact CE1-CE2 3.68Å; F194-Y308 HydrophobicContact CE1-CE2 3.68Å; F194-Y308 AromaticContact CE1-CG 3.53Å; F194-Y308 HydrophobicContact CE1-CG 3.53Å; F194-Y308 AromaticContact CE1-CZ 3.96Å; F194-Y308 HydrophobicContact CZ-CD1 4.35Å; F194-Y308 HydrophobicContact CZ-CD2 4.09Å; F194-Y308 AromaticContact CZ-CG 3.9Å; F194-Y308 HydrophobicContact CZ-CG 3.9Å; N197-Y308 PolarHBondContact ND2-OH 3.14Å; Y199-Y308 AromaticContact CD1-CD2 3.81Å; Y199-Y308 HydrophobicContact CD1-CD2 3.81Å; Y199-Y308 AromaticContact CD1-CE2 3.48Å; Y199-Y308 HydrophobicContact CD1-CE2 3.48Å; Y199-Y308 VanDerWaalsContact CD1-CE2 3.48Å; Y199-Y308 HydrophobicContact CD2-CE2 4.17Å; Y199-Y308 AromaticContact CE1-CD2 3.6Å; Y199-Y308 HydrophobicContact CE1-CD2 3.6Å; Y199-Y308 AromaticContact CE1-CE2 3.59Å; Y199-Y308 HydrophobicContact CE1-CE2 3.59Å; Y199-Y308 HydrophobicContact CE2-CE2 4.29Å; Y199-Y308 AromaticContact CG-CE2 3.77Å; Y199-Y308 HydrophobicContact CG-CE2 3.77Å; D277-Y308 PolarHBondContact O-N 3.11Å; V278-Y308 VanDerWaalsContact CA-O 3.31Å; V278-Y308 WeakPolarHBondContact CA-O 3.43Å; V278-Y308 HydrophobicContact CG2-CD2 4.29Å; I279-Y308 PolarHBondContact N-O 2.94Å; Y308-F394 HydrophobicContact CD1-CB 4.37Å; Y308-F394 HydrophobicContact CD1-CD1 4.49Å; Y308-F394 HydrophobicContact CD1-CG 4.29Å; Y308-F394 HydrophobicContact CE1-CB 4.13Å; Y308-F394 HydrophobicContact CE1-CD1 4.17Å; Y308-F394 AromaticContact CE1-CD2 3.78Å; Y308-F394 HydrophobicContact CE1-CD2 3.78Å; Y308-F394 HydrophobicContact CE1-CE2 4.24Å; Y308-F394 AromaticContact CE1-CG 3.75Å; Y308-F394 HydrophobicContact CE1-CG 3.75Å; Y308-I443 HydrophobicContact CD1-CG2 3.9Å; Y308-I443 HydrophobicContact CG-CG2 4.42Å; Y308-M444 CarbonylContact C-O 3.58Å; Y308-M444 VanDerWaalsContact CA-O 3.31Å; Y308-M444 WeakPolarHBondContact CA-O 3.42Å; Y308-A445 HydrophobicContact CD1-CB 3.64Å; Y308-A445 HydrophobicContact CE1-CB 3.54Å
309	L	98.8	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.9	167.5	177.1	63.3	0	0	0	108.5	I279 V281 L298 L301 W302 T305 L311 I330 I443 M444	I279-L309 HydrophobicContact CB-CD1 3.73Å; I279-L309 HydrophobicContact CG2-CD1 3.69Å; V281-L309 HydrophobicContact CG2-CD1 4.29Å; L298-L309 HydrophobicContact CD1-CD2 3.78Å; L301-L309 HydrophobicContact CB-CD1 4.24Å; W302-L309 HydrophobicContact CE3-CB 3.93Å; W302-L309 HydrophobicContact CE3-CD2 4.02Å; W302-L309 HydrophobicContact CZ3-CB 3.95Å; T305-L309 HydrophobicContact CG2-CB 4.22Å; L309-L311 HydrophobicContact CD1-CD2 3.97Å; L309-L311 HydrophobicContact CD2-CD2 4.2Å; L309-L311 HydrophobicContact CD2-CG 4.45Å; L309-L311 HydrophobicContact CG-CD2 3.9Å; L309-L311 HydrophobicContact CG-CG 4.14Å; L309-I330 HydrophobicContact CD2-CD1 3.97Å; L309-I443 WeakPolarHBondContact O-CA 3.36Å; L309-M444 HydrophobicContact CB-CB 4.4Å; L309-M444 PolarHBondContact N-O 3.17Å; L309-M444 PolarHBondContact O-N 3.02Å
310	V	98.8	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.9	-178.1	179.6	0	0	0	0	108.5	V190 F194 V278 I279 I280 V281 I312 I443	V190-V310 HydrophobicContact CG1-CG1 3.69Å; F194-V310 HydrophobicContact CE2-CG2 4.09Å; F194-V310 HydrophobicContact CZ-CG2 3.98Å; V278-V310 HydrophobicContact CG1-CG2 4.09Å; I279-V310 PolarHBondContact O-N 2.87Å; I280-V310 WeakPolarHBondContact CA-O 3.36Å; I280-V310 HydrophobicContact CG1-CB 4.32Å; I280-V310 HydrophobicContact CG2-CG1 4.42Å; V281-V310 PolarHBondContact N-O 3.13Å; V310-I312 HydrophobicContact CG1-CD1 3.9Å; V310-I312 HydrophobicContact CG1-CG1 3.93Å; V310-I443 HydrophobicContact CG1-CG1 4.34Å; V310-I443 HydrophobicContact CG2-CD1 4.42Å; V310-I443 HydrophobicContact CG2-CG1 4.22Å; V310-I443 HydrophobicContact CG2-CG2 4.06Å
311	L	98.7	Very high	95	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.9	177.2	-53.9	177.4	0	0	0	109.1	V281 L298 L309 L323 A326 Y441 V442	V281-L311 HydrophobicContact CB-CD2 3.68Å; V281-L311 HydrophobicContact CG1-CD2 4.42Å; V281-L311 HydrophobicContact CG2-CD2 3.68Å; L298-L311 HydrophobicContact CD1-CD1 4.08Å; L309-L311 HydrophobicContact CD1-CD2 3.97Å; L309-L311 HydrophobicContact CD2-CD2 4.2Å; L309-L311 HydrophobicContact CD2-CG 4.45Å; L309-L311 HydrophobicContact CG-CD2 3.9Å; L309-L311 HydrophobicContact CG-CG 4.14Å; L311-L323 HydrophobicContact CB-CD2 3.53Å; L311-A326 HydrophobicContact CD1-CB 3.7Å; L311-Y441 CarbonylContact O-C 3.56Å; L311-Y441 WeakPolarHBondContact O-CA 3.49Å; L311-Y441 WeakPolarHBondContact O-CB 3.48Å; L311-V442 HydrophobicContact CB-CG1 3.91Å; L311-V442 HydrophobicContact CD1-CG1 3.99Å; L311-V442 HydrophobicContact CG-CG1 4.33Å; L311-V442 PolarHBondContact N-O 2.92Å; L311-V442 PolarHBondContact O-N 3.49Å
312	I	98.2	Very high	94.8	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.015	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.1	-178.5	-52.8	171.4	0	0	0	108.3	V187 V190 V281 H282 R283 V310 F439	V187-I312 HydrophobicContact CB-CD1 4.31Å; V187-I312 HydrophobicContact CG1-CD1 4.43Å; V187-I312 HydrophobicContact CG2-CD1 4.01Å; V190-I312 HydrophobicContact CB-CD1 3.76Å; V190-I312 HydrophobicContact CB-CG1 4.39Å; V190-I312 HydrophobicContact CG1-CD1 3.98Å; V190-I312 HydrophobicContact CG1-CG1 4.25Å; V190-I312 HydrophobicContact CG2-CD1 3.73Å; V190-I312 HydrophobicContact CG2-CG1 4.04Å; V281-I312 PolarHBondContact O-N 2.81Å; H282-I312 CarbonylContact C-O 3.55Å; H282-I312 WeakPolarHBondContact CA-O 3.3Å; R283-I312 PolarHBondContact N-O 2.84Å; V310-I312 HydrophobicContact CG1-CD1 3.9Å; V310-I312 HydrophobicContact CG1-CG1 3.93Å; I312-F439 HydrophobicContact CG2-CD2 3.89Å
313	D	95.2	Very high	94.7	Very high	7 Å²	7	21.8 Å²	21.8	4%	0.037	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	176.2	176.1	-142.8	-49.6	0	0	0	111.5	L285 L323 F439 S440	L285-D313 WeakPolarHBondContact CB-OD2 3.4Å; L285-D313 PolarHBondContact N-OD2 3.19Å; D313-L323 HydrophobicContact CB-CD1 4.02Å; D313-L323 HydrophobicContact CB-CD2 4.4Å; D313-L323 HydrophobicContact CB-CG 4.2Å; D313-F439 CarbonylContact O-C 3.5Å; D313-F439 WeakPolarHBondContact O-CA 3.11Å; D313-F439 WeakPolarHBondContact O-CB 3.43Å; D313-S440 PolarHBondContact N-O 3.06Å; D313-S440 PolarHBondContact O-N 2.92Å; D313-S440 VanDerWaalsContact O-O 3.06Å
314	G	92.4	Very high	94.5	Very high	6 Å²	6	17.8 Å²	17.8	6%	0.062	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	157	175.5	0	0	0	0	0	112.8	C316	G314-C316 PolarHBondContact O-N 2.94Å
315	S	90.4	Very high	94.4	Very high	33 Å²	33	21 Å²	21	23%	0.231	12%	0.115	C	C	.	.	S	Bend	trans	-79.6	11	177	56.7	0	0	0	0	113.8	V413 S438	S315-V413 WeakPolarHBondContact O-CG2 3.38Å; S315-S438 PolarHBondContact OG-O 3.04Å; S315-S438 PolarHBondContact OG-OG 3.49Å
316	C	88.1	Confident	94.3	Very high	32 Å²	32	21.4 Å²	21.4	22%	0.216	12%	0.118	C	C	.	.	S	Bend	trans	-68.5	154.1	171.6	65.3	0	0	0	0	109.7	G314 G318 G319 Y320	G314-C316 PolarHBondContact O-N 2.94Å; C316-G318 VanDerWaalsContact C-N 3.26Å; C316-G318 PolarHBondContact O-N 3.38Å; C316-G319 PolarHBondContact O-N 2.89Å; C316-G319 VanDerWaalsContact O-N 3.1Å; C316-G319 PolarHBondContact SG-N 2.89Å; C316-Y320 PolarHBondContact O-N 3.21Å
317	K	86.4	Confident	94.3	Very high	53 Å²	53	18.2 Å²	18.2	23%	0.23	10%	0.101	C	C	.	.	H	α-helix	trans	-57.4	-39.8	-178.6	-175.9	66.8	176.6	-172.7	0	111.9	Y320 N321 K405 V407 V410 V413	K317-Y320 PolarHBondContact O-N 3.36Å; K317-N321 WeakPolarHBondContact CD-OD1 3.21Å; K317-N321 WeakPolarHBondContact CE-OD1 3.05Å; K317-N321 WeakPolarHBondContact O-CB 3.45Å; K317-N321 PolarHBondContact O-N 3.2Å; K317-N321 PolarHBondContact O-OD1 2.95Å; K317-K405 PolarHBondContact NZ-O 3Å; K317-V407 PolarHBondContact NZ-O 2.67Å; K317-V410 PolarHBondContact NZ-O 2.99Å; K317-V413 HydrophobicContact CB-CG1 4.47Å; K317-V413 HydrophobicContact CD-CG1 3.79Å
318	G	87.4	Confident	94.2	Very high	21 Å²	21	16.9 Å²	16.9	22%	0.216	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-44.2	175.6	0	0	0	0	0	113.1	F104 C316 N321 A322	F104-G318 VanDerWaalsContact CD2-C 3.46Å; C316-G318 VanDerWaalsContact C-N 3.26Å; C316-G318 PolarHBondContact O-N 3.38Å; G318-N321 PolarHBondContact O-N 2.95Å; G318-A322 WeakPolarHBondContact O-CB 3.39Å; G318-A322 PolarHBondContact O-N 3.07Å
319	G	91.3	Very high	94.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-42.2	177.3	0	0	0	0	0	112.4	C316 L323	C316-G319 PolarHBondContact O-N 2.89Å; C316-G319 VanDerWaalsContact O-N 3.1Å; C316-G319 PolarHBondContact SG-N 2.89Å; G319-L323 VanDerWaalsContact O-CG 3.3Å; G319-L323 WeakPolarHBondContact O-CG 3.48Å; G319-L323 PolarHBondContact O-N 2.94Å; G319-L323 VanDerWaalsContact O-N 3.14Å
320	Y	92.5	Very high	94.1	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-47.7	173.6	175.6	-104.2	0	0	0	112.1	C316 K317 L323 M324 C403 K405 V413 C414	C316-Y320 PolarHBondContact O-N 3.21Å; K317-Y320 PolarHBondContact O-N 3.36Å; Y320-L323 WeakPolarHBondContact O-CB 3.48Å; Y320-L323 PolarHBondContact O-N 3.26Å; Y320-M324 HydrophobicContact CD1-CG 4.36Å; Y320-M324 HydrophobicContact CD2-CE 4.46Å; Y320-M324 HydrophobicContact CD2-CG 4.42Å; Y320-M324 HydrophobicContact CE1-CG 3.86Å; Y320-M324 HydrophobicContact CE2-CE 3.94Å; Y320-M324 HydrophobicContact CE2-CG 3.88Å; Y320-M324 HydrophobicContact CE2-SD 3.84Å; Y320-M324 WeakPolarHBondContact O-CG 3.29Å; Y320-M324 PolarHBondContact O-N 3.26Å; Y320-C403 PolarHBondContact OH-SG 3.47Å; Y320-K405 HydrophobicContact CE1-CB 4.4Å; Y320-K405 WeakPolarHBondContact OH-CB 3.33Å; Y320-V413 HydrophobicContact CD1-CB 4.09Å; Y320-V413 HydrophobicContact CD1-CG1 3.79Å; Y320-V413 HydrophobicContact CD2-CB 4.2Å; Y320-V413 HydrophobicContact CG-CB 3.81Å; Y320-V413 HydrophobicContact CG-CG1 3.82Å; Y320-C414 HydrophobicContact CD2-CB 4.34Å; Y320-C414 HydrophobicContact CE2-CB 3.63Å
321	N	91.5	Very high	94	Very high	44 Å²	44	20.3 Å²	20.3	24%	0.235	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-46.4	178.7	-72.8	9.4	0	0	0	111.2	K317 G318 L323 M324 E325	K317-N321 WeakPolarHBondContact CD-OD1 3.21Å; K317-N321 WeakPolarHBondContact CE-OD1 3.05Å; K317-N321 WeakPolarHBondContact O-CB 3.45Å; K317-N321 PolarHBondContact O-N 3.2Å; K317-N321 PolarHBondContact O-OD1 2.95Å; G318-N321 PolarHBondContact O-N 2.95Å; N321-L323 VanDerWaalsContact C-N 3.26Å; N321-L323 PolarHBondContact O-N 3.31Å; N321-M324 CarbonylContact O-C 3.59Å; N321-M324 WeakPolarHBondContact O-CA 3.27Å; N321-M324 PolarHBondContact O-N 3.31Å; N321-E325 WeakPolarHBondContact O-CG 3.2Å; N321-E325 PolarHBondContact O-N 3.35Å
322	A	93.1	Very high	93.8	Very high	5 Å²	5	25.5 Å²	25.5	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-34.8	177.6	0	0	0	0	0	112.9	F104 L285 G318 A326	F104-A322 HydrophobicContact CE1-CB 3.59Å; F104-A322 HydrophobicContact CZ-CB 3.69Å; L285-A322 HydrophobicContact CB-CB 4.36Å; L285-A322 HydrophobicContact CD1-CB 4Å; G318-A322 WeakPolarHBondContact O-CB 3.39Å; G318-A322 PolarHBondContact O-N 3.07Å; A322-A326 WeakPolarHBondContact O-CB 3.21Å; A322-A326 PolarHBondContact O-N 3.13Å
323	L	96	Very high	93.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.3	-37.8	173.1	-69.3	168	0	0	0	112.1	L285 L311 D313 G319 Y320 N321 R327 S440 V442	L285-L323 HydrophobicContact CD1-CD2 3.97Å; L285-L323 HydrophobicContact CD1-CG 4.35Å; L311-L323 HydrophobicContact CB-CD2 3.53Å; D313-L323 HydrophobicContact CB-CD1 4.02Å; D313-L323 HydrophobicContact CB-CD2 4.4Å; D313-L323 HydrophobicContact CB-CG 4.2Å; G319-L323 VanDerWaalsContact O-CG 3.3Å; G319-L323 WeakPolarHBondContact O-CG 3.48Å; G319-L323 PolarHBondContact O-N 2.94Å; G319-L323 VanDerWaalsContact O-N 3.14Å; Y320-L323 WeakPolarHBondContact O-CB 3.48Å; Y320-L323 PolarHBondContact O-N 3.26Å; N321-L323 VanDerWaalsContact C-N 3.26Å; N321-L323 PolarHBondContact O-N 3.31Å; L323-R327 VanDerWaalsContact O-CB 3.3Å; L323-R327 WeakPolarHBondContact O-CB 3.24Å; L323-R327 PolarHBondContact O-N 3.42Å; L323-S440 VanDerWaalsContact CD1-C 3.49Å; L323-S440 WeakPolarHBondContact CD1-O 3.48Å; L323-V442 HydrophobicContact CB-CG1 4.45Å; L323-V442 HydrophobicContact CD2-CG1 4.23Å
324	M	95.2	Very high	93.8	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-71.6	-40.5	176.6	-62.1	-56.9	92.4	0	0	111.4	Y320 N321 A326 R327 D328 C403 N406	Y320-M324 HydrophobicContact CD1-CG 4.36Å; Y320-M324 HydrophobicContact CD2-CE 4.46Å; Y320-M324 HydrophobicContact CD2-CG 4.42Å; Y320-M324 HydrophobicContact CE1-CG 3.86Å; Y320-M324 HydrophobicContact CE2-CE 3.94Å; Y320-M324 HydrophobicContact CE2-CG 3.88Å; Y320-M324 HydrophobicContact CE2-SD 3.84Å; Y320-M324 WeakPolarHBondContact O-CG 3.29Å; Y320-M324 PolarHBondContact O-N 3.26Å; N321-M324 CarbonylContact O-C 3.59Å; N321-M324 WeakPolarHBondContact O-CA 3.27Å; N321-M324 PolarHBondContact O-N 3.31Å; M324-A326 VanDerWaalsContact C-N 3.33Å; M324-A326 PolarHBondContact O-N 3.29Å; M324-R327 WeakPolarHBondContact O-CB 3.45Å; M324-R327 PolarHBondContact O-N 3.42Å; M324-D328 WeakPolarHBondContact O-CB 3.5Å; M324-D328 PolarHBondContact O-N 3.03Å; M324-C403 HydrophobicContact SD-CB 4.31Å; M324-N406 HydrophobicContact CG-CB 4.39Å
325	E	94.7	Very high	93.9	Very high	75 Å²	75	25.9 Å²	25.9	35%	0.35	14%	0.14	S	C	.	.	H	α-helix	trans	-54.1	-49.8	170.3	-73.7	161.6	-154.6	0	0	110.4	R294 N321 R327 D328 Y329	R294-E325 IonicContact NH2-OE2 3.01Å; N321-E325 WeakPolarHBondContact O-CG 3.2Å; N321-E325 PolarHBondContact O-N 3.35Å; E325-R327 PolarHBondContact O-N 3.07Å; E325-D328 PolarHBondContact O-N 3.39Å; E325-Y329 WeakPolarHBondContact O-CB 3.48Å; E325-Y329 PolarHBondContact O-N 2.84Å
326	A	97.1	Very high	94.2	Very high	9 Å²	9	28 Å²	28	7%	0.074	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-43	179.1	0	0	0	0	0	112.9	L298 L311 A322 M324 I330	L298-A326 HydrophobicContact CD1-CB 4.07Å; L298-A326 VanDerWaalsContact CD2-CA 3.42Å; L298-A326 HydrophobicContact CD2-CB 3.58Å; L298-A326 HydrophobicContact CG-CB 4.47Å; L311-A326 HydrophobicContact CD1-CB 3.7Å; A322-A326 WeakPolarHBondContact O-CB 3.21Å; A322-A326 PolarHBondContact O-N 3.13Å; M324-A326 VanDerWaalsContact C-N 3.33Å; M324-A326 PolarHBondContact O-N 3.29Å; A326-I330 PolarHBondContact O-N 3.11Å
327	R	97.3	Very high	94.6	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-54.2	174.8	173.2	-166.3	-179.9	-85	-3.8	110.8	L323 M324 E325 I330 L331 V393 H399 D400 Q401 V442 M444	L323-R327 VanDerWaalsContact O-CB 3.3Å; L323-R327 WeakPolarHBondContact O-CB 3.24Å; L323-R327 PolarHBondContact O-N 3.42Å; M324-R327 WeakPolarHBondContact O-CB 3.45Å; M324-R327 PolarHBondContact O-N 3.42Å; E325-R327 PolarHBondContact O-N 3.07Å; R327-I330 PolarHBondContact O-N 2.9Å; R327-L331 HydrophobicContact CG-CD1 3.9Å; R327-L331 VanDerWaalsContact O-CG 3.31Å; R327-L331 WeakPolarHBondContact O-CG 3.48Å; R327-L331 PolarHBondContact O-N 3.27Å; R327-V393 HydrophobicContact CG-CG2 3.86Å; R327-V393 VanDerWaalsContact NE-CG2 3.34Å; R327-H399 PolarHBondContact NH2-O 3.18Å; R327-D400 VanDerWaalsContact NH2-CA 3.31Å; R327-D400 PolarHBondContact NH2-O 3.24Å; R327-D400 VanDerWaalsContact NH2-O 3.17Å; R327-Q401 PolarHBondContact NH1-O 3.38Å; R327-Q401 VanDerWaalsContact NH1-O 3.12Å; R327-Q401 PolarHBondContact NH2-O 3.03Å; R327-V442 HydrophobicContact CB-CG2 4.25Å; R327-V442 HydrophobicContact CG-CG2 4.24Å; R327-M444 HydrophobicContact CB-SD 4.31Å; R327-M444 HydrophobicContact CG-SD 4.06Å
328	D	96	Very high	95.1	Very high	41 Å²	41	28.9 Å²	28.9	22%	0.219	15%	0.148	C	C	.	.	H	α-helix	trans	-69.4	-37.1	-172.9	-65.6	-9.6	0	0	0	110.5	M324 E325 I330 L331 M332	M324-D328 WeakPolarHBondContact O-CB 3.5Å; M324-D328 PolarHBondContact O-N 3.03Å; E325-D328 PolarHBondContact O-N 3.39Å; D328-I330 PolarHBondContact O-N 2.99Å; D328-L331 PolarHBondContact O-N 3.23Å; D328-M332 VanDerWaalsContact O-CB 3.28Å; D328-M332 WeakPolarHBondContact O-CB 3.45Å; D328-M332 WeakPolarHBondContact O-CG 3.42Å; D328-M332 PolarHBondContact O-N 3.45Å
329	Y	97	Very high	95.4	Very high	61 Å²	61	33.5 Å²	33.5	24%	0.239	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-43.8	174.2	-179.9	-99.8	0	0	0	113	T295 L298 T299 E325 G333 R387 L388	T295-Y329 HydrophobicContact CG2-CD1 4.34Å; T295-Y329 HydrophobicContact CG2-CD2 3.92Å; T295-Y329 HydrophobicContact CG2-CE1 3.81Å; T295-Y329 HydrophobicContact CG2-CE2 3.36Å; T295-Y329 HydrophobicContact CG2-CG 4.37Å; L298-Y329 HydrophobicContact CD2-CD1 3.57Å; L298-Y329 HydrophobicContact CD2-CE1 4.35Å; L298-Y329 HydrophobicContact CD2-CG 4.22Å; L298-Y329 HydrophobicContact CG-CD1 4.29Å; T299-Y329 WeakPolarHBondContact OG1-CE1 3.48Å; T299-Y329 PolarHBondContact OG1-OH 3.32Å; E325-Y329 WeakPolarHBondContact O-CB 3.48Å; E325-Y329 PolarHBondContact O-N 2.84Å; Y329-G333 PolarHBondContact O-N 2.78Å; Y329-R387 PolarHBondContact OH-NH1 3.39Å; Y329-L388 HydrophobicContact CD1-CD1 3.88Å; Y329-L388 HydrophobicContact CE1-CD1 3.61Å
330	I	98	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.5	-47.8	176.2	-71.7	169.5	0	0	0	110.8	L298 W302 L309 A326 R327 D328 M332 G333 G334 L388 M444	L298-I330 HydrophobicContact CD1-CD1 3.71Å; L298-I330 HydrophobicContact CD1-CG1 4.39Å; L298-I330 HydrophobicContact CD2-CD1 4.45Å; L298-I330 HydrophobicContact CD2-CG1 4.32Å; L298-I330 HydrophobicContact CG-CD1 4.16Å; L298-I330 HydrophobicContact CG-CG1 4.31Å; W302-I330 HydrophobicContact CD2-CD1 4.07Å; W302-I330 HydrophobicContact CD2-CG1 4.39Å; W302-I330 HydrophobicContact CD2-CG2 4.16Å; W302-I330 HydrophobicContact CE3-CD1 3.99Å; W302-I330 HydrophobicContact CG-CD1 4.34Å; W302-I330 HydrophobicContact CG-CG1 4.36Å; W302-I330 HydrophobicContact CH2-CG2 4.23Å; W302-I330 HydrophobicContact CZ2-CG2 3.77Å; L309-I330 HydrophobicContact CD2-CD1 3.97Å; A326-I330 PolarHBondContact O-N 3.11Å; R327-I330 PolarHBondContact O-N 2.9Å; D328-I330 PolarHBondContact O-N 2.99Å; I330-M332 PolarHBondContact O-N 2.88Å; I330-G333 PolarHBondContact O-N 2.93Å; I330-G334 PolarHBondContact O-N 2.91Å; I330-L388 HydrophobicContact CG1-CD1 4.37Å; I330-M444 HydrophobicContact CB-CE 4.07Å; I330-M444 HydrophobicContact CD1-CB 4.31Å; I330-M444 HydrophobicContact CD1-CG 3.9Å; I330-M444 HydrophobicContact CG2-CE 3.77Å
331	L	96.8	Very high	95.8	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.11	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-46.1	-178.5	-69.5	173.4	0	0	0	112.1	R327 D328 G334 C335 G391 V393 D400 M444	R327-L331 HydrophobicContact CG-CD1 3.9Å; R327-L331 VanDerWaalsContact O-CG 3.31Å; R327-L331 WeakPolarHBondContact O-CG 3.48Å; R327-L331 PolarHBondContact O-N 3.27Å; D328-L331 PolarHBondContact O-N 3.23Å; L331-G334 PolarHBondContact O-N 3.25Å; L331-C335 PolarHBondContact O-SG 3.41Å; L331-C335 VanDerWaalsContact O-SG 3.4Å; L331-G391 WeakPolarHBondContact CD2-O 3.37Å; L331-V393 HydrophobicContact CD1-CG2 3.94Å; L331-V393 HydrophobicContact CD2-CG2 4.34Å; L331-D400 HydrophobicContact CD1-CB 4.28Å; L331-D400 WeakPolarHBondContact CD1-O 3.48Å; L331-D400 HydrophobicContact CD2-CB 4.04Å; L331-M444 HydrophobicContact CD2-CE 3.83Å; L331-M444 HydrophobicContact CG-CE 3.85Å
332	M	96.1	Very high	96	Very high	115 Å²	115	41.6 Å²	41.6	57%	0.567	20%	0.196	S	C	*	.	H	α-helix	trans	-66.2	-45.9	177.8	-69.1	173.3	64.6	0	0	111.1	D328 I330 G334 C335 E336	D328-M332 VanDerWaalsContact O-CB 3.28Å; D328-M332 WeakPolarHBondContact O-CB 3.45Å; D328-M332 WeakPolarHBondContact O-CG 3.42Å; D328-M332 PolarHBondContact O-N 3.45Å; I330-M332 PolarHBondContact O-N 2.88Å; M332-G334 PolarHBondContact O-N 3.43Å; M332-C335 PolarHBondContact O-N 3.47Å; M332-C335 VanDerWaalsContact O-N 3.1Å; M332-E336 WeakPolarHBondContact O-CB 3.29Å; M332-E336 PolarHBondContact O-N 2.81Å; M332-E336 VanDerWaalsContact O-N 3.13Å
333	G	96.9	Very high	96.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-30	178.9	0	0	0	0	0	113.6	Y329 I330 C335 R387 L388	Y329-G333 PolarHBondContact O-N 2.78Å; I330-G333 PolarHBondContact O-N 2.93Å; G333-C335 VanDerWaalsContact C-N 3.28Å; G333-C335 PolarHBondContact O-N 3.27Å; G333-R387 PolarHBondContact O-N 3.44Å; G333-L388 PolarHBondContact O-N 3.12Å; G333-L388 VanDerWaalsContact O-N 3.09Å
334	G	96.4	Very high	96.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.3	174.9	0	0	0	0	0	115.4	I330 L331 M332 L388	I330-G334 PolarHBondContact O-N 2.91Å; L331-G334 PolarHBondContact O-N 3.25Å; M332-G334 PolarHBondContact O-N 3.43Å; G334-L388 WeakPolarHBondContact CA-O 3.31Å
335	C	94.9	Very high	96.3	Very high	22 Å²	22	50.9 Å²	50.9	15%	0.149	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-3.4	178.8	-55.8	0	0	0	0	112.8	L331 M332 G333 L337 N367 Y371	L331-C335 PolarHBondContact O-SG 3.41Å; L331-C335 VanDerWaalsContact O-SG 3.4Å; M332-C335 PolarHBondContact O-N 3.47Å; M332-C335 VanDerWaalsContact O-N 3.1Å; G333-C335 VanDerWaalsContact C-N 3.28Å; G333-C335 PolarHBondContact O-N 3.27Å; C335-L337 PolarHBondContact O-N 3.36Å; C335-N367 HydrophobicContact CB-CB 4.41Å; C335-Y371 HydrophobicContact CB-CG 4.44Å
336	E	96	Very high	96.5	Very high	78 Å²	78	47.3 Å²	47.3	36%	0.364	22%	0.219	S	C	.	.			trans	-87.6	98.5	-178.5	-172.1	179	179	0	0	110	M332 T386 R387	M332-E336 WeakPolarHBondContact O-CB 3.29Å; M332-E336 PolarHBondContact O-N 2.81Å; M332-E336 VanDerWaalsContact O-N 3.13Å; E336-T386 VanDerWaalsContact O-CA 3.24Å; E336-T386 WeakPolarHBondContact O-CA 3.39Å; E336-R387 PolarHBondContact O-N 2.89Å; E336-R387 VanDerWaalsContact O-N 3.16Å; E336-R387 IonicContact OE2-CZ 3.42Å; E336-R387 IonicContact OE2-NE 2.77Å; E336-R387 PolarHBondContact OE2-NE 2.87Å; E336-R387 IonicContact OE2-NH2 2.86Å; E336-R387 PolarHBondContact OE2-NH2 2.87Å; E336-R387 VanDerWaalsContact OE2-NH2 3.15Å
337	L	96.7	Very high	96.4	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.11	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-72.2	135.5	-177.7	-64.4	172.3	0	0	0	112.2	C335 R339 T342 L360 R370 Y371 I374 L384 T386	C335-L337 PolarHBondContact O-N 3.36Å; L337-R339 PolarHBondContact O-N 3.08Å; L337-T342 HydrophobicContact CD1-CG2 4.31Å; L337-L360 HydrophobicContact CD1-CD2 4.28Å; L337-R370 HydrophobicContact CD1-CG 4.13Å; L337-Y371 HydrophobicContact CD2-CD2 3.75Å; L337-Y371 HydrophobicContact CD2-CE2 4.31Å; L337-Y371 HydrophobicContact CG-CD2 4.36Å; L337-I374 HydrophobicContact CD1-CB 4.26Å; L337-I374 HydrophobicContact CD1-CG1 4.11Å; L337-I374 HydrophobicContact CD1-CG2 4.4Å; L337-L384 HydrophobicContact CD2-CB 3.87Å; L337-L384 HydrophobicContact CD2-CD1 4.04Å; L337-L384 HydrophobicContact CD2-CD2 4.41Å; L337-L384 HydrophobicContact CD2-CG 4.34Å; L337-T386 HydrophobicContact CD2-CG2 3.87Å
338	H	96.3	Very high	96.4	Very high	82 Å²	82	58.7 Å²	58.7	38%	0.38	27%	0.272	S	S	.	.			trans	-73.2	110.3	162.2	-170.4	-42.9	0	0	0	108.9	E340 Q341 T342 P385	H338-E340 IonicContact CE1-OE2 3.75Å; H338-E340 PolarHBondContact CE1-OE2 3Å; H338-E340 IonicContact ND1-OE2 3.76Å; H338-E340 PolarHBondContact ND1-OE2 2.85Å; H338-E340 VanDerWaalsContact ND1-OE2 3.13Å; H338-E340 PolarHBondContact O-N 3.26Å; H338-Q341 HydrophobicContact CB-CB 4.26Å; H338-Q341 HydrophobicContact CB-CG 4.47Å; H338-Q341 PolarHBondContact CD2-NE2 3.22Å; H338-Q341 VanDerWaalsContact CD2-NE2 3.29Å; H338-Q341 PolarHBondContact NE2-NE2 3.05Å; H338-T342 VanDerWaalsContact O-CB 3.29Å; H338-T342 WeakPolarHBondContact O-CB 3.38Å; H338-T342 PolarHBondContact O-N 3.29Å; H338-T342 PolarHBondContact O-OG1 2.69Å; H338-P385 HydrophobicContact CB-CB 4.24Å; H338-P385 HydrophobicContact CB-CG 4.42Å; H338-P385 PolarHBondContact N-O 3.02Å
339	R	93	Very high	96.4	Very high	118 Å²	118	58.6 Å²	58.6	45%	0.445	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-51.1	-169.4	-71.4	-170.8	169.1	100.8	-1.9	113.4	L337 T342 R343 L360	L337-R339 PolarHBondContact O-N 3.08Å; R339-T342 PolarHBondContact O-N 3.47Å; R339-R343 PolarHBondContact O-N 3.2Å; R339-L360 PolarHBondContact NE-O 3.31Å
340	E	95.4	Very high	96.3	Very high	115 Å²	115	63 Å²	63	54%	0.537	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-47	-175.6	-63.7	68.7	-148	0	0	111.9	H338 T342 R343 Q344	H338-E340 IonicContact CE1-OE2 3.75Å; H338-E340 PolarHBondContact CE1-OE2 3Å; H338-E340 IonicContact ND1-OE2 3.76Å; H338-E340 PolarHBondContact ND1-OE2 2.85Å; H338-E340 VanDerWaalsContact ND1-OE2 3.13Å; H338-E340 PolarHBondContact O-N 3.26Å; E340-T342 VanDerWaalsContact C-N 3.28Å; E340-T342 PolarHBondContact O-N 3.46Å; E340-R343 PolarHBondContact O-N 3.46Å; E340-Q344 PolarHBondContact O-N 3.14Å; E340-Q344 VanDerWaalsContact O-N 3.08Å
341	Q	96.8	Very high	96.2	Very high	102 Å²	102	65 Å²	65	48%	0.477	32%	0.317	S	S	.	.	H	α-helix	trans	-65.2	-34.6	176.6	-62.4	-178.2	20.6	0	0	111.8	H338 Q344 I345 P385	H338-Q341 HydrophobicContact CB-CB 4.26Å; H338-Q341 HydrophobicContact CB-CG 4.47Å; H338-Q341 PolarHBondContact CD2-NE2 3.22Å; H338-Q341 VanDerWaalsContact CD2-NE2 3.29Å; H338-Q341 PolarHBondContact NE2-NE2 3.05Å; Q341-Q344 PolarHBondContact O-N 3.28Å; Q341-I345 WeakPolarHBondContact O-CG1 3.5Å; Q341-I345 PolarHBondContact O-N 3.46Å; Q341-I345 VanDerWaalsContact O-N 3.12Å; Q341-P385 HydrophobicContact CB-CB 3.85Å; Q341-P385 HydrophobicContact CB-CG 3.54Å; Q341-P385 VanDerWaalsContact OE1-CB 3.29Å
342	T	97.2	Very high	96.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66	-43.6	175.2	-54.7	0	0	0	0	111.3	L337 H338 R339 E340 Q344 I345 L346 L360 I374 L384	L337-T342 HydrophobicContact CD1-CG2 4.31Å; H338-T342 VanDerWaalsContact O-CB 3.29Å; H338-T342 WeakPolarHBondContact O-CB 3.38Å; H338-T342 PolarHBondContact O-N 3.29Å; H338-T342 PolarHBondContact O-OG1 2.69Å; R339-T342 PolarHBondContact O-N 3.47Å; E340-T342 VanDerWaalsContact C-N 3.28Å; E340-T342 PolarHBondContact O-N 3.46Å; T342-Q344 VanDerWaalsContact C-N 3.3Å; T342-Q344 PolarHBondContact O-N 3.39Å; T342-I345 PolarHBondContact O-N 3.37Å; T342-L346 HydrophobicContact CG2-CD1 4.08Å; T342-L346 HydrophobicContact CG2-CG 4.46Å; T342-L346 WeakPolarHBondContact O-CG 3.18Å; T342-L346 PolarHBondContact O-N 2.64Å; T342-L360 HydrophobicContact CG2-CD2 3.87Å; T342-I374 HydrophobicContact CG2-CG2 3.89Å; T342-L384 HydrophobicContact CG2-CD2 4.2Å
343	R	96.9	Very high	96	Very high	75 Å²	75	65.1 Å²	65.1	28%	0.283	32%	0.32	S	S	.	.	H	α-helix	trans	-57.1	-44.5	174	-74.9	-172.8	-176.7	125.1	-3.3	111.5	R339 E340 I345 L346 M347 E357 L360	R339-R343 PolarHBondContact O-N 3.2Å; E340-R343 PolarHBondContact O-N 3.46Å; R343-I345 VanDerWaalsContact C-N 3.34Å; R343-I345 PolarHBondContact O-N 2.72Å; R343-L346 PolarHBondContact O-N 2.77Å; R343-M347 WeakPolarHBondContact O-CG 3.37Å; R343-M347 PolarHBondContact O-N 3.09Å; R343-E357 IonicContact CZ-OE1 3.11Å; R343-E357 IonicContact CZ-OE2 3.19Å; R343-E357 IonicContact NE-OE1 3.13Å; R343-E357 PolarHBondContact NE-OE1 3Å; R343-E357 IonicContact NE-OE2 2.95Å; R343-E357 PolarHBondContact NE-OE2 2.89Å; R343-E357 IonicContact NH2-OE1 3.07Å; R343-E357 PolarHBondContact NH2-OE1 3.41Å; R343-E357 IonicContact NH2-OE2 3.39Å; R343-L360 HydrophobicContact CG-CD1 3.63Å
344	Q	96.9	Very high	96	Very high	96 Å²	96	73.7 Å²	73.7	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-58.4	-45.2	177.5	-176.1	59.5	36.6	0	0	112	E340 Q341 T342 L346 M347 E348	E340-Q344 PolarHBondContact O-N 3.14Å; E340-Q344 VanDerWaalsContact O-N 3.08Å; Q341-Q344 PolarHBondContact O-N 3.28Å; T342-Q344 VanDerWaalsContact C-N 3.3Å; T342-Q344 PolarHBondContact O-N 3.39Å; Q344-L346 PolarHBondContact O-N 3.43Å; Q344-M347 WeakPolarHBondContact O-CB 3.4Å; Q344-M347 PolarHBondContact O-N 3.27Å; Q344-E348 WeakPolarHBondContact CG-OE1 3.44Å; Q344-E348 PolarHBondContact NE2-OE1 2.88Å; Q344-E348 WeakPolarHBondContact O-CG 3.45Å; Q344-E348 PolarHBondContact O-N 2.83Å
345	I	97	Very high	96	Very high	36 Å²	36	79.7 Å²	79.7	19%	0.185	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-40.4	177	-69.6	165.1	0	0	0	111.8	Q341 T342 R343 M347 E348 A349 L378 T382 P385	Q341-I345 WeakPolarHBondContact O-CG1 3.5Å; Q341-I345 PolarHBondContact O-N 3.46Å; Q341-I345 VanDerWaalsContact O-N 3.12Å; T342-I345 PolarHBondContact O-N 3.37Å; R343-I345 VanDerWaalsContact C-N 3.34Å; R343-I345 PolarHBondContact O-N 2.72Å; I345-M347 VanDerWaalsContact C-N 3.34Å; I345-E348 PolarHBondContact O-N 2.96Å; I345-A349 VanDerWaalsContact O-CB 3.32Å; I345-A349 WeakPolarHBondContact O-CB 3.25Å; I345-A349 PolarHBondContact O-N 2.79Å; I345-L378 HydrophobicContact CG2-CD1 4.15Å; I345-L378 HydrophobicContact CG2-CD2 4.17Å; I345-T382 HydrophobicContact CG2-CG2 3.66Å; I345-P385 VanDerWaalsContact CD1-CD 3.46Å; I345-P385 HydrophobicContact CD1-CG 3.91Å
346	L	97.3	Very high	96	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-65.2	-38.1	176.9	-68.6	164.9	0	0	0	111.7	T342 R343 Q344 N350 V351 L352 A356 L360 I374 L378	T342-L346 HydrophobicContact CG2-CD1 4.08Å; T342-L346 HydrophobicContact CG2-CG 4.46Å; T342-L346 WeakPolarHBondContact O-CG 3.18Å; T342-L346 PolarHBondContact O-N 2.64Å; R343-L346 PolarHBondContact O-N 2.77Å; Q344-L346 PolarHBondContact O-N 3.43Å; L346-N350 PolarHBondContact O-N 2.83Å; L346-N350 VanDerWaalsContact O-N 3.09Å; L346-V351 HydrophobicContact CB-CG2 4.28Å; L346-V351 HydrophobicContact CD2-CG2 3.57Å; L346-V351 PolarHBondContact O-N 2.86Å; L346-L352 HydrophobicContact CB-CB 3.85Å; L346-L352 HydrophobicContact CB-CD1 4.06Å; L346-L352 HydrophobicContact CD1-CD1 4.01Å; L346-L352 PolarHBondContact O-N 3.01Å; L346-A356 HydrophobicContact CD1-CB 4.39Å; L346-L360 HydrophobicContact CD1-CD1 3.71Å; L346-L360 HydrophobicContact CD1-CG 4.36Å; L346-I374 HydrophobicContact CD1-CD1 4.28Å; L346-I374 HydrophobicContact CD2-CG2 4.26Å; L346-L378 HydrophobicContact CD2-CD1 4.13Å; L346-L378 HydrophobicContact CD2-CD2 4.03Å; L346-L378 HydrophobicContact CD2-CG 4.04Å
347	M	96.2	Very high	96	Very high	109 Å²	109	77.6 Å²	77.6	54%	0.537	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-47.6	173.3	-70.7	177.4	70	0	0	111.5	R343 Q344 I345 A349 N350 L352	R343-M347 WeakPolarHBondContact O-CG 3.37Å; R343-M347 PolarHBondContact O-N 3.09Å; Q344-M347 WeakPolarHBondContact O-CB 3.4Å; Q344-M347 PolarHBondContact O-N 3.27Å; I345-M347 VanDerWaalsContact C-N 3.34Å; M347-A349 VanDerWaalsContact C-N 3.28Å; M347-A349 PolarHBondContact O-N 2.8Å; M347-N350 WeakPolarHBondContact O-CA 3.14Å; M347-N350 PolarHBondContact O-N 2.74Å; M347-L352 HydrophobicContact CG-CB 4.06Å; M347-L352 HydrophobicContact CG-CD2 3.34Å; M347-L352 HydrophobicContact CG-CG 4.32Å; M347-L352 HydrophobicContact SD-CD2 4.01Å
348	E	96.2	Very high	96	Very high	139 Å²	139	80 Å²	80	65%	0.65	39%	0.393	S	S	*	.	H	α-helix	trans	-62.7	-34.9	178.6	-74	171.2	-168.6	0	0	112.6	Q344 I345 N350	Q344-E348 WeakPolarHBondContact CG-OE1 3.44Å; Q344-E348 PolarHBondContact NE2-OE1 2.88Å; Q344-E348 WeakPolarHBondContact O-CG 3.45Å; Q344-E348 PolarHBondContact O-N 2.83Å; I345-E348 PolarHBondContact O-N 2.96Å; E348-N350 VanDerWaalsContact C-N 3.26Å
349	A	95.8	Very high	96	Very high	40 Å²	40	76.9 Å²	76.9	33%	0.331	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.6	173.8	0	0	0	0	0	113.6	I345 M347 V351 L378	I345-A349 VanDerWaalsContact O-CB 3.32Å; I345-A349 WeakPolarHBondContact O-CB 3.25Å; I345-A349 PolarHBondContact O-N 2.79Å; M347-A349 VanDerWaalsContact C-N 3.28Å; M347-A349 PolarHBondContact O-N 2.8Å; A349-V351 VanDerWaalsContact C-N 3.29Å; A349-V351 HydrophobicContact CB-CG2 3.93Å; A349-V351 PolarHBondContact O-N 3.01Å; A349-L378 HydrophobicContact CB-CD2 3.54Å
350	N	95	Very high	96.1	Very high	153 Å²	153	71.3 Å²	71.3	82%	0.818	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	38.2	-178.4	-157	60.6	0	0	0	113.9	L346 M347 E348	L346-N350 PolarHBondContact O-N 2.83Å; L346-N350 VanDerWaalsContact O-N 3.09Å; M347-N350 WeakPolarHBondContact O-CA 3.14Å; M347-N350 PolarHBondContact O-N 2.74Å; E348-N350 VanDerWaalsContact C-N 3.26Å
351	V	95.8	Very high	96	Very high	41 Å²	41	69 Å²	69	25%	0.248	35%	0.352	C	S	.	.			trans	-122.8	9	178.5	-63.7	0	0	0	0	112.7	L346 A349 D353 L378	L346-V351 HydrophobicContact CB-CG2 4.28Å; L346-V351 HydrophobicContact CD2-CG2 3.57Å; L346-V351 PolarHBondContact O-N 2.86Å; A349-V351 VanDerWaalsContact C-N 3.29Å; A349-V351 HydrophobicContact CB-CG2 3.93Å; A349-V351 PolarHBondContact O-N 3.01Å; V351-D353 PolarHBondContact O-N 2.93Å; V351-D353 VanDerWaalsContact O-N 3.1Å; V351-L378 HydrophobicContact CG2-CD2 3.77Å; V351-L378 HydrophobicContact CG2-CG 4.5Å
352	L	95.2	Very high	95.9	Very high	61 Å²	61	66.8 Å²	66.8	32%	0.319	34%	0.343	S	S	.	.			trans	-77.8	91.8	173	-173.9	67.2	0	0	0	109.9	L346 M347 A356	L346-L352 HydrophobicContact CB-CB 3.85Å; L346-L352 HydrophobicContact CB-CD1 4.06Å; L346-L352 HydrophobicContact CD1-CD1 4.01Å; L346-L352 PolarHBondContact O-N 3.01Å; M347-L352 HydrophobicContact CG-CB 4.06Å; M347-L352 HydrophobicContact CG-CD2 3.34Å; M347-L352 HydrophobicContact CG-CG 4.32Å; M347-L352 HydrophobicContact SD-CD2 4.01Å; L352-A356 HydrophobicContact CD1-CB 4.31Å
353	D	95.1	Very high	95.7	Very high	79 Å²	79	75.2 Å²	75.2	42%	0.422	38%	0.383	S	S	.	.	S	Bend	trans	-114.7	-175.4	173.5	60.4	16	0	0	0	111.7	V351 E355 A356 E357	V351-D353 PolarHBondContact O-N 2.93Å; V351-D353 VanDerWaalsContact O-N 3.1Å; D353-E355 PolarHBondContact O-N 3.4Å; D353-E355 PolarHBondContact OD1-N 3.22Å; D353-A356 PolarHBondContact O-N 2.89Å; D353-A356 WeakPolarHBondContact OD1-CB 3.32Å; D353-A356 PolarHBondContact OD1-N 3.28Å; D353-E357 PolarHBondContact O-N 3.19Å
354	E	95.4	Very high	95.6	Very high	179 Å²	179	79.7 Å²	79.7	84%	0.836	41%	0.407	S	S	*	.	H	α-helix	trans	-61.4	-33.2	178.3	-65.8	-177.2	176.4	0	0	112.4	C358	E354-C358 VanDerWaalsContact O-CB 3.24Å; E354-C358 WeakPolarHBondContact O-CB 3.39Å; E354-C358 PolarHBondContact O-N 3.28Å
355	E	95.9	Very high	95.5	Very high	127 Å²	127	76.9 Å²	76.9	59%	0.593	40%	0.395	S	S	*	.	H	α-helix	trans	-68.1	-48	177.2	-178.1	177.2	-178.5	0	0	110.7	D353 E357 C358 I359 M377	D353-E355 PolarHBondContact O-N 3.4Å; D353-E355 PolarHBondContact OD1-N 3.22Å; E355-E357 PolarHBondContact O-N 2.95Å; E355-C358 WeakPolarHBondContact O-CB 3.34Å; E355-C358 PolarHBondContact O-N 3.49Å; E355-I359 HydrophobicContact CG-CD1 4Å; E355-I359 WeakPolarHBondContact O-CG1 3.24Å; E355-I359 PolarHBondContact O-N 2.81Å; E355-M377 HydrophobicContact CB-CE 4.23Å; E355-M377 HydrophobicContact CG-CE 4.05Å
356	A	95.8	Very high	95.3	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-60.7	-43.5	177.4	0	0	0	0	0	111.8	L346 L352 D353 I359 L360 M377	L346-A356 HydrophobicContact CD1-CB 4.39Å; L352-A356 HydrophobicContact CD1-CB 4.31Å; D353-A356 PolarHBondContact O-N 2.89Å; D353-A356 WeakPolarHBondContact OD1-CB 3.32Å; D353-A356 PolarHBondContact OD1-N 3.28Å; A356-I359 PolarHBondContact O-N 3.17Å; A356-L360 WeakPolarHBondContact O-CG 3.41Å; A356-L360 PolarHBondContact O-N 2.8Å; A356-M377 HydrophobicContact CB-CE 3.98Å; A356-M377 HydrophobicContact CB-SD 3.99Å
357	E	95.9	Very high	95.1	Very high	57 Å²	57	81 Å²	81	27%	0.266	42%	0.421	S	S	.	.	H	α-helix	trans	-67.1	-37.1	177.4	-171.3	59.9	-153.9	0	0	111.7	R343 D353 E355 L360 T361	R343-E357 IonicContact CZ-OE1 3.11Å; R343-E357 IonicContact CZ-OE2 3.19Å; R343-E357 IonicContact NE-OE1 3.13Å; R343-E357 PolarHBondContact NE-OE1 3Å; R343-E357 IonicContact NE-OE2 2.95Å; R343-E357 PolarHBondContact NE-OE2 2.89Å; R343-E357 IonicContact NH2-OE1 3.07Å; R343-E357 PolarHBondContact NH2-OE1 3.41Å; R343-E357 IonicContact NH2-OE2 3.39Å; D353-E357 PolarHBondContact O-N 3.19Å; E355-E357 PolarHBondContact O-N 2.95Å; E357-L360 PolarHBondContact O-N 2.98Å; E357-T361 WeakPolarHBondContact O-CB 3.48Å; E357-T361 WeakPolarHBondContact O-CG2 3.38Å; E357-T361 PolarHBondContact O-N 2.76Å; E357-T361 VanDerWaalsContact O-N 3.1Å; E357-T361 PolarHBondContact O-OG1 3.11Å; E357-T361 WeakPolarHBondContact OE1-CG2 3.3Å
358	C	96.7	Very high	94.9	Very high	72 Å²	72	81.9 Å²	81.9	49%	0.486	42%	0.42	S	S	.	.	H	α-helix	trans	-59.6	-49.3	171.9	-174	0	0	0	0	110.9	E354 E355 L360 T361 D362	E354-C358 VanDerWaalsContact O-CB 3.24Å; E354-C358 WeakPolarHBondContact O-CB 3.39Å; E354-C358 PolarHBondContact O-N 3.28Å; E355-C358 WeakPolarHBondContact O-CB 3.34Å; E355-C358 PolarHBondContact O-N 3.49Å; C358-L360 VanDerWaalsContact C-N 3.31Å; C358-L360 PolarHBondContact O-N 3.01Å; C358-T361 PolarHBondContact O-N 2.9Å; C358-T361 PolarHBondContact O-OG1 3.37Å; C358-D362 WeakPolarHBondContact O-CB 3.35Å; C358-D362 PolarHBondContact O-N 3.05Å
359	I	96.5	Very high	94.8	Very high	16 Å²	16	80.3 Å²	80.3	8%	0.082	41%	0.414	C	S	.	.	H	α-helix	trans	-59.1	-41.5	177.9	-67.6	160.5	0	0	0	111.6	E355 A356 T361 L365 R370 L373 I374 M377	E355-I359 HydrophobicContact CG-CD1 4Å; E355-I359 WeakPolarHBondContact O-CG1 3.24Å; E355-I359 PolarHBondContact O-N 2.81Å; A356-I359 PolarHBondContact O-N 3.17Å; I359-T361 VanDerWaalsContact C-N 3.32Å; I359-T361 PolarHBondContact O-N 2.96Å; I359-L365 HydrophobicContact CB-CD1 4.44Å; I359-L365 HydrophobicContact CG2-CD1 4.08Å; I359-R370 HydrophobicContact CG2-CG 4.01Å; I359-R370 WeakPolarHBondContact O-CD 3.29Å; I359-R370 WeakPolarHBondContact O-CG 3.49Å; I359-R370 PolarHBondContact O-NE 3.12Å; I359-R370 VanDerWaalsContact O-NE 3.13Å; I359-L373 HydrophobicContact CD1-CB 4.12Å; I359-L373 HydrophobicContact CG1-CD1 4.38Å; I359-L373 HydrophobicContact CG2-CB 3.93Å; I359-L373 HydrophobicContact CG2-CD1 4.3Å; I359-I374 HydrophobicContact CB-CD1 4.01Å; I359-I374 HydrophobicContact CG2-CD1 3.62Å; I359-I374 HydrophobicContact CG2-CG1 3.72Å; I359-M377 HydrophobicContact CD1-CE 4.46Å; I359-M377 HydrophobicContact CD1-SD 3.85Å
360	L	95	Very high	94.8	Very high	1 Å²	1	79.1 Å²	79.1	1%	0.005	40%	0.401	C	S	.	.	H	α-helix	trans	-66.9	-31.1	179.8	-74.5	-179.5	0	0	0	113.7	L337 R339 T342 R343 L346 A356 E357 C358 I374	L337-L360 HydrophobicContact CD1-CD2 4.28Å; R339-L360 PolarHBondContact NE-O 3.31Å; T342-L360 HydrophobicContact CG2-CD2 3.87Å; R343-L360 HydrophobicContact CG-CD1 3.63Å; L346-L360 HydrophobicContact CD1-CD1 3.71Å; L346-L360 HydrophobicContact CD1-CG 4.36Å; A356-L360 WeakPolarHBondContact O-CG 3.41Å; A356-L360 PolarHBondContact O-N 2.8Å; E357-L360 PolarHBondContact O-N 2.98Å; C358-L360 VanDerWaalsContact C-N 3.31Å; C358-L360 PolarHBondContact O-N 3.01Å; L360-I374 HydrophobicContact CD2-CD1 3.94Å; L360-I374 HydrophobicContact CD2-CG1 3.98Å; L360-I374 HydrophobicContact CG-CD1 4Å
361	T	94.1	Very high	94.9	Very high	67 Å²	67	73.3 Å²	73.3	41%	0.411	37%	0.368	S	S	.	.	H	α-helix	trans	-103.3	-20.7	-172.6	57.2	0	0	0	0	114.1	E357 C358 I359 Q363	E357-T361 WeakPolarHBondContact O-CB 3.48Å; E357-T361 WeakPolarHBondContact O-CG2 3.38Å; E357-T361 PolarHBondContact O-N 2.76Å; E357-T361 VanDerWaalsContact O-N 3.1Å; E357-T361 PolarHBondContact O-OG1 3.11Å; E357-T361 WeakPolarHBondContact OE1-CG2 3.3Å; C358-T361 PolarHBondContact O-N 2.9Å; C358-T361 PolarHBondContact O-OG1 3.37Å; I359-T361 VanDerWaalsContact C-N 3.32Å; I359-T361 PolarHBondContact O-N 2.96Å; T361-Q363 PolarHBondContact O-N 3.42Å
362	D	94.5	Very high	94.8	Very high	54 Å²	54	73.6 Å²	73.6	29%	0.289	37%	0.368	S	S	.	.			trans	-61.5	117.3	-179.3	-175.9	-8.8	0	0	0	111.2	C358 Q364 L365 R370	C358-D362 WeakPolarHBondContact O-CB 3.35Å; C358-D362 PolarHBondContact O-N 3.05Å; D362-Q364 VanDerWaalsContact C-N 3.35Å; D362-Q364 VanDerWaalsContact OD1-CB 3.29Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.28Å; D362-Q364 PolarHBondContact OD1-N 3.42Å; D362-L365 HydrophobicContact CB-CD1 4.07Å; D362-L365 HydrophobicContact CB-CG 4.14Å; D362-R370 PolarHBondContact O-NH2 3.47Å
363	Q	92.9	Very high	94.8	Very high	177 Å²	177	74.1 Å²	74.1	83%	0.827	37%	0.371	S	S	*	.	S	Bend	trans	-79.1	-15.3	-179	-62.6	-177.3	-4.8	0	0	113.8	T361 L365	T361-Q363 PolarHBondContact O-N 3.42Å; Q363-L365 VanDerWaalsContact C-N 3.34Å
364	Q	94.6	Very high	94.9	Very high	169 Å²	169	70.4 Å²	70.4	79%	0.79	35%	0.35	S	S	*	.	S	Bend	trans	-77.8	-22.7	177.6	-57.7	-59.1	-46.9	0	0	111.9	D362	D362-Q364 VanDerWaalsContact C-N 3.35Å; D362-Q364 VanDerWaalsContact OD1-CB 3.29Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.28Å; D362-Q364 PolarHBondContact OD1-N 3.42Å
365	L	93.7	Very high	94.9	Very high	37 Å²	37	63.9 Å²	63.9	19%	0.194	32%	0.32	C	S	.	.	S	Bend	trans	-74.7	128.3	176.7	-66.2	178.8	0	0	0	111.5	I359 D362 Q363 M369 R370 L373	I359-L365 HydrophobicContact CB-CD1 4.44Å; I359-L365 HydrophobicContact CG2-CD1 4.08Å; D362-L365 HydrophobicContact CB-CD1 4.07Å; D362-L365 HydrophobicContact CB-CG 4.14Å; Q363-L365 VanDerWaalsContact C-N 3.34Å; L365-M369 HydrophobicContact CD2-CB 4.32Å; L365-R370 HydrophobicContact CB-CB 4.45Å; L365-R370 PolarHBondContact O-NH1 2.79Å; L365-R370 PolarHBondContact O-NH2 3.02Å; L365-L373 HydrophobicContact CD1-CD1 4.02Å; L365-L373 HydrophobicContact CD2-CD1 4.34Å
366	S	92.8	Very high	94.8	Very high	56 Å²	56	64.1 Å²	64.1	39%	0.392	33%	0.325	S	S	.	.			trans	-62	152.1	166.1	70.7	0	0	0	0	110.7	Y368 M369 R370	S366-Y368 PolarHBondContact O-N 3.5Å; S366-M369 PolarHBondContact O-N 3.18Å; S366-M369 VanDerWaalsContact O-N 3.07Å; S366-M369 WeakPolarHBondContact OG-CB 3.44Å; S366-M369 VanDerWaalsContact OG-CG 3.27Å; S366-M369 WeakPolarHBondContact OG-CG 3.27Å; S366-M369 PolarHBondContact OG-N 2.79Å; S366-M369 VanDerWaalsContact OG-N 3.17Å; S366-R370 PolarHBondContact O-N 3.48Å
367	N	94.4	Very high	94.8	Very high	66 Å²	66	66.3 Å²	66.3	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-54.6	-38.4	176.6	-71.2	-13.1	0	0	0	112.2	C335 R370 Y371	C335-N367 HydrophobicContact CB-CB 4.41Å; N367-R370 PolarHBondContact OD1-NH1 2.8Å; N367-Y371 VanDerWaalsContact O-CB 3.28Å; N367-Y371 WeakPolarHBondContact O-CB 3.48Å; N367-Y371 PolarHBondContact O-N 3.05Å
368	Y	92.3	Very high	94.8	Very high	128 Å²	128	64.1 Å²	64.1	50%	0.502	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-48.1	175.3	179.2	-99.1	0	0	0	112.6	S366 Y371 N372	S366-Y368 PolarHBondContact O-N 3.5Å; Y368-Y371 PolarHBondContact O-N 3.27Å; Y368-N372 WeakPolarHBondContact CD1-ND2 3.46Å; Y368-N372 WeakPolarHBondContact CE1-ND2 3.32Å; Y368-N372 VanDerWaalsContact CE2-ND2 3.28Å; Y368-N372 WeakPolarHBondContact CE2-ND2 3.31Å; Y368-N372 PolarHBondContact O-N 3.08Å; Y368-N372 VanDerWaalsContact O-N 3.08Å; Y368-N372 PolarHBondContact O-ND2 3.47Å
369	M	94.2	Very high	94.6	Very high	107 Å²	107	64.1 Å²	64.1	53%	0.527	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-47.7	177.8	-74	167.5	170	0	0	111.1	L365 S366 Y371 N372 L373	L365-M369 HydrophobicContact CD2-CB 4.32Å; S366-M369 PolarHBondContact O-N 3.18Å; S366-M369 VanDerWaalsContact O-N 3.07Å; S366-M369 WeakPolarHBondContact OG-CB 3.44Å; S366-M369 VanDerWaalsContact OG-CG 3.27Å; S366-M369 WeakPolarHBondContact OG-CG 3.27Å; S366-M369 PolarHBondContact OG-N 2.79Å; S366-M369 VanDerWaalsContact OG-N 3.17Å; M369-Y371 PolarHBondContact O-N 3.22Å; M369-N372 PolarHBondContact O-N 2.91Å; M369-L373 WeakPolarHBondContact O-CB 3.35Å; M369-L373 VanDerWaalsContact O-CG 3.32Å; M369-L373 WeakPolarHBondContact O-CG 3.39Å; M369-L373 PolarHBondContact O-N 3.18Å
370	R	95.9	Very high	94.3	Very high	15 Å²	15	68.7 Å²	68.7	6%	0.057	36%	0.356	C	S	.	.	H	α-helix	trans	-56.1	-48.9	176.8	-174.3	178.8	-58	95.3	5.4	111.7	L337 I359 D362 L365 S366 N367 N372 L373 I374	L337-R370 HydrophobicContact CD1-CG 4.13Å; I359-R370 HydrophobicContact CG2-CG 4.01Å; I359-R370 WeakPolarHBondContact O-CD 3.29Å; I359-R370 WeakPolarHBondContact O-CG 3.49Å; I359-R370 PolarHBondContact O-NE 3.12Å; I359-R370 VanDerWaalsContact O-NE 3.13Å; D362-R370 PolarHBondContact O-NH2 3.47Å; L365-R370 HydrophobicContact CB-CB 4.45Å; L365-R370 PolarHBondContact O-NH1 2.79Å; L365-R370 PolarHBondContact O-NH2 3.02Å; S366-R370 PolarHBondContact O-N 3.48Å; N367-R370 PolarHBondContact OD1-NH1 2.8Å; R370-N372 PolarHBondContact O-N 3.48Å; R370-L373 PolarHBondContact O-N 3.31Å; R370-I374 HydrophobicContact CG-CG1 4.48Å; R370-I374 WeakPolarHBondContact O-CB 3.19Å; R370-I374 VanDerWaalsContact O-CG1 3.31Å; R370-I374 WeakPolarHBondContact O-CG1 3.43Å; R370-I374 PolarHBondContact O-N 2.72Å
371	Y	95.6	Very high	94	Very high	31 Å²	31	76 Å²	76	12%	0.122	40%	0.395	C	S	.	.	H	α-helix	trans	-55.3	-50.2	177	177.9	-87.3	0	0	0	111.9	C335 L337 N367 Y368 M369 K375 L384 T386 P390	C335-Y371 HydrophobicContact CB-CG 4.44Å; L337-Y371 HydrophobicContact CD2-CD2 3.75Å; L337-Y371 HydrophobicContact CD2-CE2 4.31Å; L337-Y371 HydrophobicContact CG-CD2 4.36Å; N367-Y371 VanDerWaalsContact O-CB 3.28Å; N367-Y371 WeakPolarHBondContact O-CB 3.48Å; N367-Y371 PolarHBondContact O-N 3.05Å; Y368-Y371 PolarHBondContact O-N 3.27Å; M369-Y371 PolarHBondContact O-N 3.22Å; Y371-K375 HydrophobicContact CE1-CB 4.37Å; Y371-K375 HydrophobicContact CE1-CG 4.47Å; Y371-K375 WeakPolarHBondContact O-CB 3.33Å; Y371-K375 PolarHBondContact O-N 2.94Å; Y371-L384 HydrophobicContact CD2-CD1 4.1Å; Y371-L384 HydrophobicContact CE2-CB 3.96Å; Y371-L384 HydrophobicContact CE2-CD1 3.81Å; Y371-T386 HydrophobicContact CD2-CG2 3.9Å; Y371-T386 HydrophobicContact CE2-CG2 3.76Å; Y371-P390 HydrophobicContact CE2-CG 4.29Å; Y371-P390 WeakPolarHBondContact OH-CG 3.41Å
372	N	94.1	Very high	94.1	Very high	47 Å²	47	74.4 Å²	74.4	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-68.6	-40.3	-176.9	-71.1	-59.8	0	0	0	112.6	Y368 M369 R370 K375 N376	Y368-N372 WeakPolarHBondContact CD1-ND2 3.46Å; Y368-N372 WeakPolarHBondContact CE1-ND2 3.32Å; Y368-N372 VanDerWaalsContact CE2-ND2 3.28Å; Y368-N372 WeakPolarHBondContact CE2-ND2 3.31Å; Y368-N372 PolarHBondContact O-N 3.08Å; Y368-N372 VanDerWaalsContact O-N 3.08Å; Y368-N372 PolarHBondContact O-ND2 3.47Å; M369-N372 PolarHBondContact O-N 2.91Å; R370-N372 PolarHBondContact O-N 3.48Å; N372-K375 PolarHBondContact O-N 3.38Å; N372-N376 WeakPolarHBondContact O-CB 3.36Å; N372-N376 PolarHBondContact O-N 3.01Å; N372-N376 PolarHBondContact O-ND2 3.19Å; N372-N376 PolarHBondContact O-OD1 3.24Å
373	L	96.3	Very high	94	Very high	72 Å²	72	77.7 Å²	77.7	38%	0.377	41%	0.406	S	S	.	.	H	α-helix	trans	-61	-50.7	176.7	-70.6	172	0	0	0	110.9	I359 L365 M369 R370 K375 N376 M377	I359-L373 HydrophobicContact CD1-CB 4.12Å; I359-L373 HydrophobicContact CG1-CD1 4.38Å; I359-L373 HydrophobicContact CG2-CB 3.93Å; I359-L373 HydrophobicContact CG2-CD1 4.3Å; L365-L373 HydrophobicContact CD1-CD1 4.02Å; L365-L373 HydrophobicContact CD2-CD1 4.34Å; M369-L373 WeakPolarHBondContact O-CB 3.35Å; M369-L373 VanDerWaalsContact O-CG 3.32Å; M369-L373 WeakPolarHBondContact O-CG 3.39Å; M369-L373 PolarHBondContact O-N 3.18Å; R370-L373 PolarHBondContact O-N 3.31Å; L373-K375 VanDerWaalsContact C-N 3.33Å; L373-K375 PolarHBondContact O-N 2.93Å; L373-N376 PolarHBondContact O-N 3.43Å; L373-M377 WeakPolarHBondContact O-CG 3.35Å; L373-M377 PolarHBondContact O-N 3.21Å
374	I	96.6	Very high	94.2	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.9	-42.7	176	-66.3	-59	0	0	0	111.5	L337 T342 L346 I359 L360 R370 N376 M377 L378 L384	L337-I374 HydrophobicContact CD1-CB 4.26Å; L337-I374 HydrophobicContact CD1-CG1 4.11Å; L337-I374 HydrophobicContact CD1-CG2 4.4Å; T342-I374 HydrophobicContact CG2-CG2 3.89Å; L346-I374 HydrophobicContact CD1-CD1 4.28Å; L346-I374 HydrophobicContact CD2-CG2 4.26Å; I359-I374 HydrophobicContact CB-CD1 4.01Å; I359-I374 HydrophobicContact CG2-CD1 3.62Å; I359-I374 HydrophobicContact CG2-CG1 3.72Å; L360-I374 HydrophobicContact CD2-CD1 3.94Å; L360-I374 HydrophobicContact CD2-CG1 3.98Å; L360-I374 HydrophobicContact CG-CD1 4Å; R370-I374 HydrophobicContact CG-CG1 4.48Å; R370-I374 WeakPolarHBondContact O-CB 3.19Å; R370-I374 VanDerWaalsContact O-CG1 3.31Å; R370-I374 WeakPolarHBondContact O-CG1 3.43Å; R370-I374 PolarHBondContact O-N 2.72Å; I374-N376 VanDerWaalsContact C-N 3.26Å; I374-N376 PolarHBondContact O-N 2.77Å; I374-M377 HydrophobicContact CD1-SD 4.43Å; I374-M377 PolarHBondContact O-N 3.12Å; I374-L378 HydrophobicContact CG2-CD1 4.13Å; I374-L384 HydrophobicContact CG2-CD1 4.13Å; I374-L384 HydrophobicContact CG2-CD2 4Å
375	K	94.8	Very high	94.2	Very high	43 Å²	43	62.5 Å²	62.5	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-34.4	178.8	-177.1	58	-179.1	157.7	0	112.3	Y371 N372 L373 M377 L378 P380 T382 L384	Y371-K375 HydrophobicContact CE1-CB 4.37Å; Y371-K375 HydrophobicContact CE1-CG 4.47Å; Y371-K375 WeakPolarHBondContact O-CB 3.33Å; Y371-K375 PolarHBondContact O-N 2.94Å; N372-K375 PolarHBondContact O-N 3.38Å; L373-K375 VanDerWaalsContact C-N 3.33Å; L373-K375 PolarHBondContact O-N 2.93Å; K375-M377 VanDerWaalsContact C-N 3.35Å; K375-L378 PolarHBondContact O-N 3.21Å; K375-P380 PolarHBondContact NZ-O 2.91Å; K375-T382 PolarHBondContact NZ-O 3.06Å; K375-L384 HydrophobicContact CB-CD1 3.81Å; K375-L384 HydrophobicContact CD-CD1 4Å; K375-L384 HydrophobicContact CD-CG 4.48Å; K375-L384 HydrophobicContact CG-CD1 4.44Å
376	N	94.7	Very high	94.4	Very high	131 Å²	131	62.1 Å²	62.1	70%	0.701	34%	0.337	S	S	*	.	H	α-helix	trans	-73.4	-24.6	178	-70.3	-18.6	0	0	0	113.3	N372 L373 I374 L378	N372-N376 WeakPolarHBondContact O-CB 3.36Å; N372-N376 PolarHBondContact O-N 3.01Å; N372-N376 PolarHBondContact O-ND2 3.19Å; N372-N376 PolarHBondContact O-OD1 3.24Å; L373-N376 PolarHBondContact O-N 3.43Å; I374-N376 VanDerWaalsContact C-N 3.26Å; I374-N376 PolarHBondContact O-N 2.77Å; N376-L378 VanDerWaalsContact C-N 3.26Å
377	M	95.6	Very high	94.6	Very high	46 Å²	46	63.9 Å²	63.9	23%	0.227	34%	0.335	C	S	.	.	H	α-helix	trans	-76.2	-15.2	174	-62.3	177.5	104.8	0	0	112.5	E355 A356 I359 L373 I374 K375	E355-M377 HydrophobicContact CB-CE 4.23Å; E355-M377 HydrophobicContact CG-CE 4.05Å; A356-M377 HydrophobicContact CB-CE 3.98Å; A356-M377 HydrophobicContact CB-SD 3.99Å; I359-M377 HydrophobicContact CD1-CE 4.46Å; I359-M377 HydrophobicContact CD1-SD 3.85Å; L373-M377 WeakPolarHBondContact O-CG 3.35Å; L373-M377 PolarHBondContact O-N 3.21Å; I374-M377 HydrophobicContact CD1-SD 4.43Å; I374-M377 PolarHBondContact O-N 3.12Å; K375-M377 VanDerWaalsContact C-N 3.35Å
378	L	95.8	Very high	94.7	Very high	12 Å²	12	61 Å²	61	6%	0.063	32%	0.32	C	S	.	.	S	Bend	trans	-106	158.6	-173.9	-73.3	166.2	0	0	0	112.3	I345 L346 A349 V351 I374 K375 N376 T382 L384	I345-L378 HydrophobicContact CG2-CD1 4.15Å; I345-L378 HydrophobicContact CG2-CD2 4.17Å; L346-L378 HydrophobicContact CD2-CD1 4.13Å; L346-L378 HydrophobicContact CD2-CD2 4.03Å; L346-L378 HydrophobicContact CD2-CG 4.04Å; A349-L378 HydrophobicContact CB-CD2 3.54Å; V351-L378 HydrophobicContact CG2-CD2 3.77Å; V351-L378 HydrophobicContact CG2-CG 4.5Å; I374-L378 HydrophobicContact CG2-CD1 4.13Å; K375-L378 PolarHBondContact O-N 3.21Å; N376-L378 VanDerWaalsContact C-N 3.26Å; L378-T382 HydrophobicContact CB-CG2 4.35Å; L378-T382 HydrophobicContact CD1-CG2 4.04Å; L378-T382 HydrophobicContact CD2-CG2 4.38Å; L378-L384 HydrophobicContact CD1-CD2 3.54Å; L378-L384 HydrophobicContact CD1-CG 4.33Å
379	P	93.2	Very high	94.9	Very high	71 Å²	71	59.5 Å²	59.5	46%	0.461	32%	0.317	S	S	.	.			trans	-52.4	147.1	170.1	-26	33.4	0	0	0	112.7	N381 T382	P379-N381 PolarHBondContact O-N 2.95Å; P379-N381 VanDerWaalsContact O-N 3.08Å; P379-T382 WeakPolarHBondContact CD-OG1 3.31Å; P379-T382 WeakPolarHBondContact O-CB 3.46Å; P379-T382 PolarHBondContact O-N 3.02Å; P379-T382 PolarHBondContact O-OG1 3.06Å; P379-T382 VanDerWaalsContact O-OG1 3.12Å
380	P	88.4	Confident	95	Very high	113 Å²	113	56 Å²	56	73%	0.734	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.9	-171.6	21.1	-32.9	0	0	0	113.5	K375	K375-P380 PolarHBondContact NZ-O 2.91Å
381	N	90.5	Very high	95	Very high	154 Å²	154	56 Å²	56	82%	0.824	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.2	-178.6	-64.5	-23.5	0	0	0	114.3	P379 V383	P379-N381 PolarHBondContact O-N 2.95Å; P379-N381 VanDerWaalsContact O-N 3.08Å; N381-V383 PolarHBondContact O-N 3.08Å
382	T	94.3	Very high	95	Very high	34 Å²	34	55.6 Å²	55.6	21%	0.209	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-68.6	125.8	-178.7	-55.9	0	0	0	0	111.3	I345 K375 L378 P379	I345-T382 HydrophobicContact CG2-CG2 3.66Å; K375-T382 PolarHBondContact NZ-O 3.06Å; L378-T382 HydrophobicContact CB-CG2 4.35Å; L378-T382 HydrophobicContact CD1-CG2 4.04Å; L378-T382 HydrophobicContact CD2-CG2 4.38Å; P379-T382 WeakPolarHBondContact CD-OG1 3.31Å; P379-T382 WeakPolarHBondContact O-CB 3.46Å; P379-T382 PolarHBondContact O-N 3.02Å; P379-T382 PolarHBondContact O-OG1 3.06Å; P379-T382 VanDerWaalsContact O-OG1 3.12Å
383	V	93.9	Very high	95.1	Very high	122 Å²	122	53.4 Å²	53.4	74%	0.739	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-88.7	125.4	176.3	-179.9	0	0	0	0	109	N381	N381-V383 PolarHBondContact O-N 3.08Å
384	L	96.1	Very high	95.1	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-90.7	137.5	178.3	-75.5	174	0	0	0	111.6	L337 T342 Y371 I374 K375 L378 T386	L337-L384 HydrophobicContact CD2-CB 3.87Å; L337-L384 HydrophobicContact CD2-CD1 4.04Å; L337-L384 HydrophobicContact CD2-CD2 4.41Å; L337-L384 HydrophobicContact CD2-CG 4.34Å; T342-L384 HydrophobicContact CG2-CD2 4.2Å; Y371-L384 HydrophobicContact CD2-CD1 4.1Å; Y371-L384 HydrophobicContact CE2-CB 3.96Å; Y371-L384 HydrophobicContact CE2-CD1 3.81Å; I374-L384 HydrophobicContact CG2-CD1 4.13Å; I374-L384 HydrophobicContact CG2-CD2 4Å; K375-L384 HydrophobicContact CB-CD1 3.81Å; K375-L384 HydrophobicContact CD-CD1 4Å; K375-L384 HydrophobicContact CD-CG 4.48Å; K375-L384 HydrophobicContact CG-CD1 4.44Å; L378-L384 HydrophobicContact CD1-CD2 3.54Å; L378-L384 HydrophobicContact CD1-CG 4.33Å; L384-T386 PolarHBondContact O-N 2.87Å; L384-T386 VanDerWaalsContact O-N 3.11Å; L384-T386 PolarHBondContact O-OG1 3.36Å
385	P	96.2	Very high	95	Very high	23 Å²	23	52.1 Å²	52.1	15%	0.149	29%	0.285	C	S	.	.			trans	-77.7	102.7	-177.5	30.5	-32.1	0	0	0	108.6	H338 Q341 I345	H338-P385 HydrophobicContact CB-CB 4.24Å; H338-P385 HydrophobicContact CB-CG 4.42Å; H338-P385 PolarHBondContact N-O 3.02Å; Q341-P385 HydrophobicContact CB-CB 3.85Å; Q341-P385 HydrophobicContact CB-CG 3.54Å; Q341-P385 VanDerWaalsContact OE1-CB 3.29Å; I345-P385 VanDerWaalsContact CD1-CD 3.46Å; I345-P385 HydrophobicContact CD1-CG 3.91Å
386	T	97.1	Very high	95	Very high	28 Å²	28	50.3 Å²	50.3	17%	0.172	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-117.5	157.1	-178.3	39.9	0	0	0	0	109.8	E336 L337 Y371 L384 L388	E336-T386 VanDerWaalsContact O-CA 3.24Å; E336-T386 WeakPolarHBondContact O-CA 3.39Å; L337-T386 HydrophobicContact CD2-CG2 3.87Å; Y371-T386 HydrophobicContact CD2-CG2 3.9Å; Y371-T386 HydrophobicContact CE2-CG2 3.76Å; L384-T386 PolarHBondContact O-N 2.87Å; L384-T386 VanDerWaalsContact O-N 3.11Å; L384-T386 PolarHBondContact O-OG1 3.36Å; T386-L388 WeakPolarHBondContact CB-O 3.33Å; T386-L388 PolarHBondContact O-N 3.08Å; T386-L388 PolarHBondContact OG1-O 2.85Å
387	R	96.1	Very high	95	Very high	94 Å²	94	44.6 Å²	44.6	36%	0.355	25%	0.248	S	C	.	.	S	Bend	trans	-56.7	-37.2	-179.1	179.1	168.5	54.6	76.9	-0.6	112.2	Y329 G333 E336	Y329-R387 PolarHBondContact OH-NH1 3.39Å; G333-R387 PolarHBondContact O-N 3.44Å; E336-R387 PolarHBondContact O-N 2.89Å; E336-R387 VanDerWaalsContact O-N 3.16Å; E336-R387 IonicContact OE2-CZ 3.42Å; E336-R387 IonicContact OE2-NE 2.77Å; E336-R387 PolarHBondContact OE2-NE 2.87Å; E336-R387 IonicContact OE2-NH2 2.86Å; E336-R387 PolarHBondContact OE2-NH2 2.87Å; E336-R387 VanDerWaalsContact OE2-NH2 3.15Å
388	L	96.9	Very high	94.8	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	24%	0.24	C	C	.	.	S	Bend	trans	-130.8	154.4	171.3	-65	177	0	0	0	109	T299 Y329 I330 G333 G334 T386	T299-L388 HydrophobicContact CG2-CD2 3.99Å; Y329-L388 HydrophobicContact CD1-CD1 3.88Å; Y329-L388 HydrophobicContact CE1-CD1 3.61Å; I330-L388 HydrophobicContact CG1-CD1 4.37Å; G333-L388 PolarHBondContact O-N 3.12Å; G333-L388 VanDerWaalsContact O-N 3.09Å; G334-L388 WeakPolarHBondContact CA-O 3.31Å; T386-L388 WeakPolarHBondContact CB-O 3.33Å; T386-L388 PolarHBondContact O-N 3.08Å; T386-L388 PolarHBondContact OG1-O 2.85Å
389	E	96.1	Very high	94.7	Very high	95 Å²	95	42.7 Å²	42.7	44%	0.444	24%	0.239	S	C	.	.			trans	-57.4	137.6	171.9	-74	170.1	-97	0	0	110.9	W302 K446	W302-E389 PolarHBondContact NE1-O 3.4Å; E389-K446 IonicContact OE1-NZ 2.72Å; E389-K446 PolarHBondContact OE1-NZ 3.39Å; E389-K446 WeakPolarHBondContact OE2-CE 3.36Å; E389-K446 IonicContact OE2-NZ 3.58Å; E389-K446 PolarHBondContact OE2-NZ 2.94Å
390	P	96.5	Very high	94.6	Very high	35 Å²	35	41.3 Å²	41.3	23%	0.227	23%	0.228	C	C	.	.			trans	-56.2	142.4	-179.8	-25.1	32.3	0	0	0	112.7	Y371 G447	Y371-P390 HydrophobicContact CE2-CG 4.29Å; Y371-P390 WeakPolarHBondContact OH-CG 3.41Å; P390-G447 PolarHBondContact O-N 3.39Å
391	G	96.6	Very high	94.6	Very high	15 Å²	15	41.2 Å²	41.2	16%	0.155	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	168.4	174.9	0	0	0	0	0	111.8	L331 A445 G447	L331-G391 WeakPolarHBondContact CD2-O 3.37Å; G391-A445 CarbonylContact C-O 3.55Å; G391-A445 WeakPolarHBondContact CA-O 3.33Å; G391-G447 WeakPolarHBondContact CA-O 3.48Å
392	Y	96	Very high	94.5	Very high	22 Å²	22	36.6 Å²	36.6	9%	0.086	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	165.4	176.4	72.2	-83.3	0	0	0	110.4	F394 A445 G447 R449	Y392-F394 HydrophobicContact CE2-CB 4.37Å; Y392-F394 PolarHBondContact O-N 3.25Å; Y392-A445 HydrophobicContact CD1-CB 3.98Å; Y392-A445 HydrophobicContact CE1-CB 3.49Å; Y392-A445 VanDerWaalsContact CE1-CB 3.49Å; Y392-A445 HydrophobicContact CE2-CB 4.11Å; Y392-A445 HydrophobicContact CG-CB 4.49Å; Y392-A445 PolarHBondContact N-O 2.86Å; Y392-A445 PolarHBondContact O-N 2.89Å; Y392-G447 WeakPolarHBondContact CD1-O 3.44Å; Y392-R449 HydrophobicContact CD1-CB 4.2Å; Y392-R449 HydrophobicContact CD2-CB 3.85Å; Y392-R449 HydrophobicContact CD2-CG 3.97Å; Y392-R449 HydrophobicContact CE2-CB 4.49Å; Y392-R449 HydrophobicContact CE2-CG 4.4Å; Y392-R449 HydrophobicContact CG-CB 3.69Å; Y392-R449 HydrophobicContact CG-CG 4.33Å
393	V	96.3	Very high	94.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.7	175.6	-169.6	0	0	0	0	109	R327 L331 C397 D400 V442 M444 R449	R327-V393 HydrophobicContact CG-CG2 3.86Å; R327-V393 VanDerWaalsContact NE-CG2 3.34Å; L331-V393 HydrophobicContact CD1-CG2 3.94Å; L331-V393 HydrophobicContact CD2-CG2 4.34Å; V393-C397 HydrophobicContact CB-CB 4.41Å; V393-C397 HydrophobicContact CG1-CB 3.77Å; V393-D400 PolarHBondContact N-OD1 3.27Å; V393-V442 HydrophobicContact CG1-CG2 3.8Å; V393-M444 HydrophobicContact CB-SD 4.48Å; V393-M444 HydrophobicContact CG2-CE 4.08Å; V393-M444 HydrophobicContact CG2-SD 3.94Å; V393-R449 PolarHBondContact O-NH2 3.22Å
394	F	95.5	Very high	93.9	Very high	46 Å²	46	31.2 Å²	31.2	20%	0.202	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-43.9	174.7	176.6	-104.7	0	0	0	111.6	E193 F194 N197 Y308 Y392 I443 A445	E193-F394 HydrophobicContact CB-CE1 3.94Å; F194-F394 HydrophobicContact CD1-CE1 4.06Å; F194-F394 HydrophobicContact CD1-CZ 4.37Å; F194-F394 HydrophobicContact CE1-CD1 4.35Å; F194-F394 AromaticContact CE1-CE1 3.98Å; F194-F394 HydrophobicContact CE1-CE1 3.98Å; N197-F394 WeakPolarHBondContact ND2-CE2 3.26Å; N197-F394 WeakPolarHBondContact ND2-CZ 3.44Å; Y308-F394 HydrophobicContact CD1-CB 4.37Å; Y308-F394 HydrophobicContact CD1-CD1 4.49Å; Y308-F394 HydrophobicContact CD1-CG 4.29Å; Y308-F394 HydrophobicContact CE1-CB 4.13Å; Y308-F394 HydrophobicContact CE1-CD1 4.17Å; Y308-F394 AromaticContact CE1-CD2 3.78Å; Y308-F394 HydrophobicContact CE1-CD2 3.78Å; Y308-F394 HydrophobicContact CE1-CE2 4.24Å; Y308-F394 AromaticContact CE1-CG 3.75Å; Y308-F394 HydrophobicContact CE1-CG 3.75Å; Y392-F394 HydrophobicContact CE2-CB 4.37Å; Y392-F394 PolarHBondContact O-N 3.25Å; F394-I443 HydrophobicContact CB-CB 4.21Å; F394-I443 HydrophobicContact CB-CG2 4.03Å; F394-I443 WeakPolarHBondContact CB-O 3.16Å; F394-I443 HydrophobicContact CD1-CB 4.05Å; F394-I443 HydrophobicContact CD1-CD1 4.05Å; F394-I443 HydrophobicContact CD1-CG2 3.8Å; F394-I443 HydrophobicContact CE1-CD1 4.43Å; F394-I443 HydrophobicContact CG-CG2 4.32Å; F394-I443 PolarHBondContact N-O 2.88Å; F394-A445 HydrophobicContact CB-CB 3.96Å
395	A	95.2	Very high	93.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	161.9	178.6	0	0	0	0	0	110.8	E193 C397 Y441 V442 I443	E193-A395 HydrophobicContact CB-CB 4.41Å; E193-A395 HydrophobicContact CG-CB 4.05Å; A395-C397 VanDerWaalsContact C-N 3.29Å; A395-Y441 HydrophobicContact CB-CE2 3.87Å; A395-V442 CarbonylContact O-C 3.5Å; A395-V442 WeakPolarHBondContact O-CA 3.36Å; A395-I443 HydrophobicContact CB-CB 4.4Å; A395-I443 HydrophobicContact CB-CD1 4.14Å; A395-I443 HydrophobicContact CB-CG1 4.32Å; A395-I443 PolarHBondContact N-O 3.04Å; A395-I443 PolarHBondContact O-N 3.46Å
396	P	94	Very high	92.8	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.032	18%	0.183	C	C	.	.	S	Bend	cis	-78	-14.2	-11.7	32.4	-34.6	0	0	0	112.5	P398 F416 Y441 R457	P396-P398 WeakPolarHBondContact O-CD 3.45Å; P396-F416 HydrophobicContact CB-CE1 4.13Å; P396-F416 HydrophobicContact CB-CE2 4.09Å; P396-F416 HydrophobicContact CB-CZ 3.39Å; P396-F416 HydrophobicContact CG-CE2 3.81Å; P396-F416 HydrophobicContact CG-CZ 3.59Å; P396-Y441 HydrophobicContact CB-CE1 4.06Å; P396-Y441 HydrophobicContact CB-CE2 4.16Å; P396-Y441 WeakPolarHBondContact CD-O 3.47Å; P396-Y441 HydrophobicContact CG-CE1 4.25Å; P396-Y441 HydrophobicContact CG-CE2 4.31Å; P396-Y441 WeakPolarHBondContact CG-O 3.46Å; P396-R457 PolarHBondContact O-NE 3.41Å
397	C	93.8	Very high	91.8	Very high	11 Å²	11	35.1 Å²	35.1	7%	0.074	20%	0.195	C	C	.	.			trans	-68.7	124.6	-174	-55.7	0	0	0	0	109.5	V393 A395 H399	V393-C397 HydrophobicContact CB-CB 4.41Å; V393-C397 HydrophobicContact CG1-CB 3.77Å; A395-C397 VanDerWaalsContact C-N 3.29Å; C397-H399 PolarHBondContact O-N 2.98Å; C397-H399 VanDerWaalsContact O-N 3.11Å
398	P	92.6	Very high	90.3	Very high	10 Å²	10	38.9 Å²	38.9	7%	0.065	22%	0.216	C	C	.	.	S	Bend	trans	-78.3	14.1	177	32.9	-33.4	0	0	0	112.5	P396 R449 E455 R457 C473 P475	P396-P398 WeakPolarHBondContact O-CD 3.45Å; P398-R449 VanDerWaalsContact C-NH2 3.32Å; P398-R449 PolarHBondContact O-NH1 2.99Å; P398-R449 PolarHBondContact O-NH2 3.49Å; P398-E455 WeakPolarHBondContact CB-O 3.41Å; P398-R457 HydrophobicContact CG-CB 4.31Å; P398-C473 HydrophobicContact CG-CB 4Å; P398-C473 WeakPolarHBondContact CG-O 3.31Å; P398-P475 HydrophobicContact CB-CG 4.12Å; P398-P475 WeakPolarHBondContact O-CA 3.42Å; P398-P475 WeakPolarHBondContact O-CB 3.32Å
399	H	92.4	Very high	88.6	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.037	26%	0.257	C	S	.	.			trans	-153.2	164.3	-177	62.8	81.1	0	0	0	111.3	R327 C397 Q401 C473 T474 P475	R327-H399 PolarHBondContact NH2-O 3.18Å; C397-H399 PolarHBondContact O-N 2.98Å; C397-H399 VanDerWaalsContact O-N 3.11Å; H399-Q401 PolarHBondContact CE1-O 3.41Å; H399-Q401 PolarHBondContact ND1-N 3.48Å; H399-Q401 PolarHBondContact ND1-O 3.3Å; H399-C473 PolarHBondContact NE2-SG 2.91Å; H399-C473 VanDerWaalsContact NE2-SG 3.38Å; H399-T474 PolarHBondContact CD2-O 3.03Å; H399-P475 WeakPolarHBondContact CB-O 3.41Å
400	D	92.5	Very high	87.1	Confident	42 Å²	42	46.2 Å²	46.2	23%	0.225	25%	0.25	C	S	.	.	S	Bend	trans	-101.1	-4.9	174.8	-52.7	-41.7	0	0	0	111.8	R327 L331 V393 R449	R327-D400 VanDerWaalsContact NH2-CA 3.31Å; R327-D400 PolarHBondContact NH2-O 3.24Å; R327-D400 VanDerWaalsContact NH2-O 3.17Å; L331-D400 HydrophobicContact CD1-CB 4.28Å; L331-D400 WeakPolarHBondContact CD1-O 3.48Å; L331-D400 HydrophobicContact CD2-CB 4.04Å; V393-D400 PolarHBondContact N-OD1 3.27Å; D400-R449 IonicContact OD1-CZ 2.77Å; D400-R449 IonicContact OD1-NE 3.78Å; D400-R449 IonicContact OD1-NH2 3.91Å; D400-R449 WeakPolarHBondContact OD2-CD 3.38Å; D400-R449 IonicContact OD2-CZ 3.05Å; D400-R449 IonicContact OD2-NE 3.61Å; D400-R449 PolarHBondContact OD2-NE 3.5Å
401	Q	88.6	Confident	85.9	Confident	111 Å²	111	54.2 Å²	54.2	52%	0.519	28%	0.282	S	S	.	.	S	Bend	trans	-67.1	163.3	176.9	-55	-53.8	-39.3	0	0	113.1	R327 H399	R327-Q401 PolarHBondContact NH1-O 3.38Å; R327-Q401 VanDerWaalsContact NH1-O 3.12Å; R327-Q401 PolarHBondContact NH2-O 3.03Å; H399-Q401 PolarHBondContact CE1-O 3.41Å; H399-Q401 PolarHBondContact ND1-N 3.48Å; H399-Q401 PolarHBondContact ND1-O 3.3Å
402	G	88.1	Confident	85.3	Confident	57 Å²	57	57.7 Å²	57.7	59%	0.588	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-54.8	144.7	173.5	0	0	0	0	0	112.3
403	C	89.9	Confident	85	Confident	18 Å²	18	57.4 Å²	57.4	12%	0.122	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-89.4	125	-177.6	-170.7	0	0	0	0	111.7	Y320 M324 K405 N406	Y320-C403 PolarHBondContact OH-SG 3.47Å; M324-C403 HydrophobicContact SD-CB 4.31Å; C403-K405 PolarHBondContact O-N 2.85Å; C403-N406 HydrophobicContact CB-CB 4.24Å; C403-N406 WeakPolarHBondContact O-CB 3.37Å; C403-N406 PolarHBondContact O-N 3.11Å
404	P	85.4	Confident	84.8	Confident	24 Å²	24	58.4 Å²	58.4	16%	0.156	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-59.9	-19.5	176	-27.9	36.9	0	0	0	114.8	E41 I479	E41-P404 WeakPolarHBondContact OE2-CB 3.24Å; E41-P404 WeakPolarHBondContact OE2-CG 3.35Å; P404-I479 HydrophobicContact CB-CD1 4.11Å; P404-I479 HydrophobicContact CG-CD1 4.35Å; P404-I479 HydrophobicContact CG-CG1 4.29Å
405	K	87.5	Confident	84.8	Confident	21 Å²	21	58.6 Å²	58.6	9%	0.091	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-82.9	-9.8	175.4	-68.4	-166.1	173.3	-150.5	0	113.7	K317 Y320 C403 V407 D412 V413 C414 I479	K317-K405 PolarHBondContact NZ-O 3Å; Y320-K405 HydrophobicContact CE1-CB 4.4Å; Y320-K405 WeakPolarHBondContact OH-CB 3.33Å; C403-K405 PolarHBondContact O-N 2.85Å; K405-V407 PolarHBondContact O-N 2.78Å; K405-D412 WeakPolarHBondContact CE-OD2 3.49Å; K405-D412 IonicContact NZ-OD1 2.62Å; K405-D412 PolarHBondContact NZ-OD1 2.86Å; K405-D412 IonicContact NZ-OD2 3.3Å; K405-D412 PolarHBondContact NZ-OD2 2.84Å; K405-V413 PolarHBondContact NZ-O 2.93Å; K405-V413 VanDerWaalsContact NZ-O 3.09Å; K405-C414 HydrophobicContact CD-CB 4.28Å; K405-I479 HydrophobicContact CG-CD1 3.96Å
406	N	82.3	Confident	84.7	Confident	51 Å²	51	58.9 Å²	58.9	27%	0.273	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-84.3	7.1	-179	-158.9	29.5	0	0	0	113.6	M324 C403	M324-N406 HydrophobicContact CG-CB 4.39Å; C403-N406 HydrophobicContact CB-CB 4.24Å; C403-N406 WeakPolarHBondContact O-CB 3.37Å; C403-N406 PolarHBondContact O-N 3.11Å
407	V	76	Confident	84.6	Confident	67 Å²	67	62.7 Å²	62.7	41%	0.406	34%	0.339	S	S	.	.	S	Bend	trans	-77.8	137.6	177	-174.6	0	0	0	0	110.4	K317 K405 K409 V410	K317-V407 PolarHBondContact NZ-O 2.67Å; K405-V407 PolarHBondContact O-N 2.78Å; V407-K409 VanDerWaalsContact C-N 3.31Å; V407-K409 PolarHBondContact O-N 3.25Å; V407-V410 HydrophobicContact CB-CG2 4.15Å; V407-V410 PolarHBondContact O-N 3.05Å
408	E	63.3	Low	84.6	Confident	172 Å²	172	62.8 Å²	62.8	80%	0.804	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-41	-177.7	-70	-174.9	160.1	0	0	113.8	V410	E408-V410 PolarHBondContact O-N 3.23Å; E408-V410 VanDerWaalsContact O-N 3.13Å
409	K	61.4	Low	84.6	Confident	204 Å²	204	67.4 Å²	67.4	89%	0.887	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.9	-179.9	-64.9	-177.6	-178.5	176	0	112.9	V407	V407-K409 VanDerWaalsContact C-N 3.31Å; V407-K409 PolarHBondContact O-N 3.25Å
410	V	65.8	Low	84.6	Confident	51 Å²	51	67.5 Å²	67.5	31%	0.309	36%	0.36	S	S	.	.			trans	-97.3	111.4	-176	-178.9	0	0	0	0	110	K317 V407 E408 D412	K317-V410 PolarHBondContact NZ-O 2.99Å; V407-V410 HydrophobicContact CB-CG2 4.15Å; V407-V410 PolarHBondContact O-N 3.05Å; E408-V410 PolarHBondContact O-N 3.23Å; E408-V410 VanDerWaalsContact O-N 3.13Å; V410-D412 HydrophobicContact CG1-CB 3.71Å; V410-D412 PolarHBondContact O-N 3.13Å
411	K	70.7	Confident	84.5	Confident	204 Å²	204	68.8 Å²	68.8	89%	0.887	37%	0.367	S	S	*	.			trans	-72.4	-14.8	172.6	-65.9	-173.5	-179.5	-178.9	0	113.4
412	D	83.9	Confident	84.5	Confident	88 Å²	88	64.6 Å²	64.6	47%	0.471	35%	0.354	S	S	.	.			trans	-74.1	133.7	-180	-170.7	15.7	0	0	0	110.5	K405 V410	K405-D412 WeakPolarHBondContact CE-OD2 3.49Å; K405-D412 IonicContact NZ-OD1 2.62Å; K405-D412 PolarHBondContact NZ-OD1 2.86Å; K405-D412 IonicContact NZ-OD2 3.3Å; K405-D412 PolarHBondContact NZ-OD2 2.84Å; V410-D412 HydrophobicContact CG1-CB 3.71Å; V410-D412 PolarHBondContact O-N 3.13Å
413	V	90.3	Very high	84.6	Confident	16 Å²	16	63.9 Å²	63.9	10%	0.097	34%	0.336	C	S	.	.			trans	-118.7	156.7	179.1	-65.5	0	0	0	0	109.3	S315 K317 Y320 K405 S415	S315-V413 WeakPolarHBondContact O-CG2 3.38Å; K317-V413 HydrophobicContact CB-CG1 4.47Å; K317-V413 HydrophobicContact CD-CG1 3.79Å; Y320-V413 HydrophobicContact CD1-CB 4.09Å; Y320-V413 HydrophobicContact CD1-CG1 3.79Å; Y320-V413 HydrophobicContact CD2-CB 4.2Å; Y320-V413 HydrophobicContact CG-CB 3.81Å; Y320-V413 HydrophobicContact CG-CG1 3.82Å; K405-V413 PolarHBondContact NZ-O 2.93Å; K405-V413 VanDerWaalsContact NZ-O 3.09Å; V413-S415 PolarHBondContact O-N 3.03Å; V413-S415 VanDerWaalsContact O-N 3.1Å
414	C	92.7	Very high	84.7	Confident	21 Å²	21	65 Å²	65	14%	0.142	34%	0.338	C	S	.	.			trans	-81.7	87.7	170	-160.5	0	0	0	0	109.2	Y320 K405 S440	Y320-C414 HydrophobicContact CD2-CB 4.34Å; Y320-C414 HydrophobicContact CE2-CB 3.63Å; K405-C414 HydrophobicContact CD-CB 4.28Å; C414-S440 WeakPolarHBondContact O-CB 3.28Å; C414-S440 PolarHBondContact O-OG 2.88Å
415	S	93.5	Very high	85	Confident	50 Å²	50	64.1 Å²	64.1	35%	0.35	33%	0.333	S	S	.	.			trans	-106.5	149.7	178.4	63.9	0	0	0	0	112.5	V413 F439	V413-S415 PolarHBondContact O-N 3.03Å; V413-S415 VanDerWaalsContact O-N 3.1Å; S415-F439 CarbonylContact C-O 3.57Å; S415-F439 WeakPolarHBondContact CA-O 3.48Å
416	F	93.8	Very high	85.1	Confident	5 Å²	5	64.2 Å²	64.2	2%	0.022	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	154.6	176.5	-56.8	-89.6	0	0	0	108.1	F189 P396 S438 F439 Y441 G501	F189-F416 HydrophobicContact CE1-CB 4.23Å; F189-F416 HydrophobicContact CE1-CD1 4.19Å; F189-F416 HydrophobicContact CE1-CG 4.36Å; F189-F416 HydrophobicContact CZ-CB 4.35Å; F189-F416 HydrophobicContact CZ-CD1 4.26Å; P396-F416 HydrophobicContact CB-CE1 4.13Å; P396-F416 HydrophobicContact CB-CE2 4.09Å; P396-F416 HydrophobicContact CB-CZ 3.39Å; P396-F416 HydrophobicContact CG-CE2 3.81Å; P396-F416 HydrophobicContact CG-CZ 3.59Å; F416-S438 CarbonylContact O-C 3.58Å; F416-S438 WeakPolarHBondContact O-CA 3.44Å; F416-S438 VanDerWaalsContact O-CB 3.28Å; F416-S438 WeakPolarHBondContact O-CB 3.45Å; F416-F439 HydrophobicContact CB-CE1 4.12Å; F416-F439 HydrophobicContact CB-CE2 4.1Å; F416-F439 HydrophobicContact CB-CZ 3.88Å; F416-F439 PolarHBondContact N-O 3.16Å; F416-F439 PolarHBondContact O-N 2.81Å; F416-Y441 HydrophobicContact CD1-CE1 4.04Å; F416-Y441 AromaticContact CD2-CD1 3.53Å; F416-Y441 HydrophobicContact CD2-CD1 3.53Å; F416-Y441 AromaticContact CD2-CE1 3.58Å; F416-Y441 HydrophobicContact CD2-CE1 3.58Å; F416-Y441 AromaticContact CE1-CE1 3.97Å; F416-Y441 HydrophobicContact CE1-CE1 3.97Å; F416-Y441 AromaticContact CE2-CD1 3.66Å; F416-Y441 HydrophobicContact CE2-CD1 3.66Å; F416-Y441 AromaticContact CE2-CE1 3.53Å; F416-Y441 HydrophobicContact CE2-CE1 3.53Å; F416-Y441 HydrophobicContact CG-CD1 4.16Å; F416-Y441 AromaticContact CG-CE1 3.86Å; F416-Y441 HydrophobicContact CG-CE1 3.86Å; F416-Y441 HydrophobicContact CZ-CD1 4.35Å; F416-Y441 AromaticContact CZ-CE1 3.76Å; F416-Y441 HydrophobicContact CZ-CE1 3.76Å; F416-G501 VanDerWaalsContact CE1-CA 3.46Å
417	S	92.6	Very high	85.1	Confident	86 Å²	86	64.9 Å²	64.9	60%	0.601	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.6	177.7	-51.3	0	0	0	0	110.6	G437	S417-G437 VanDerWaalsContact CA-O 3.24Å; S417-G437 WeakPolarHBondContact CA-O 3.39Å
418	T	92.9	Very high	85.3	Confident	12 Å²	12	70.4 Å²	70.4	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	166	173.2	-165.8	0	0	0	0	109.4	A185 E186 W420 T436 G437 F439	A185-T418 HydrophobicContact CB-CG2 3.88Å; E186-T418 HydrophobicContact CG-CG2 4.13Å; T418-W420 HydrophobicContact CG2-CE3 3.98Å; T418-W420 HydrophobicContact CG2-CZ3 3.86Å; T418-T436 WeakPolarHBondContact O-CA 3.45Å; T418-G437 PolarHBondContact N-O 2.89Å; T418-G437 PolarHBondContact O-N 2.82Å; T418-F439 HydrophobicContact CG2-CD1 4.38Å; T418-F439 HydrophobicContact CG2-CE1 3.78Å
419	Q	92.5	Very high	85.6	Confident	108 Å²	108	71.4 Å²	71.4	51%	0.505	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.3	-178.9	71.2	-176.9	4.6	0	0	109.7	Y62 G64 T434 E435 T436	Y62-Q419 WeakPolarHBondContact CE1-O 3.47Å; G64-Q419 WeakPolarHBondContact CA-O 3.17Å; Q419-T434 HydrophobicContact CB-CG2 3.93Å; Q419-T434 HydrophobicContact CG-CG2 4.21Å; Q419-E435 CarbonylContact C-O 3.54Å; Q419-E435 WeakPolarHBondContact CA-O 3.19Å; Q419-E435 WeakPolarHBondContact CB-O 3.48Å; Q419-T436 HydrophobicContact CB-CG2 3.91Å
420	W	93.4	Very high	85.7	Confident	10 Å²	10	64.1 Å²	64.1	4%	0.038	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	161	-178.7	57.2	85.7	0	0	0	111.4	G64 V181 P182 A185 T418 T434 E435 T436 G437	G64-W420 WeakPolarHBondContact O-CA 3.37Å; G64-W420 WeakPolarHBondContact O-CB 3.45Å; V181-W420 HydrophobicContact CG1-CB 3.75Å; V181-W420 VanDerWaalsContact CG1-CD1 3.43Å; V181-W420 HydrophobicContact CG1-CG 3.74Å; P182-W420 HydrophobicContact CB-CD2 4.25Å; P182-W420 HydrophobicContact CB-CE3 4.46Å; P182-W420 HydrophobicContact CB-CH2 3.7Å; P182-W420 HydrophobicContact CB-CZ2 3.52Å; P182-W420 HydrophobicContact CB-CZ3 4.19Å; P182-W420 HydrophobicContact CG-CZ2 4.46Å; A185-W420 HydrophobicContact CB-CB 3.96Å; A185-W420 HydrophobicContact CB-CD2 4.28Å; A185-W420 HydrophobicContact CB-CE3 3.73Å; A185-W420 HydrophobicContact CB-CG 4.41Å; T418-W420 HydrophobicContact CG2-CE3 3.98Å; T418-W420 HydrophobicContact CG2-CZ3 3.86Å; W420-T434 CarbonylContact O-C 3.56Å; W420-T434 WeakPolarHBondContact O-CA 3.3Å; W420-E435 HydrophobicContact CD2-CB 4.5Å; W420-E435 HydrophobicContact CZ2-CB 4.06Å; W420-E435 PolarHBondContact N-O 2.81Å; W420-E435 PolarHBondContact NE1-OE2 3.26Å; W420-E435 PolarHBondContact O-N 3.26Å; W420-T436 VanDerWaalsContact CH2-C 3.44Å; W420-G437 VanDerWaalsContact CH2-N 3.29Å; W420-G437 VanDerWaalsContact CZ3-N 3.34Å
421	N	91	Very high	85.6	Confident	68 Å²	68	69.7 Å²	69.7	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.8	174.3	-70.8	-4.4	0	0	0	109.8	G64 V181 L423 N433	G64-N421 PolarHBondContact O-N 2.95Å; V181-N421 WeakPolarHBondContact CG1-O 3.4Å; N421-L423 PolarHBondContact O-N 3.41Å; N421-N433 CarbonylContact C-O 3.56Å; N421-N433 VanDerWaalsContact CA-O 3.23Å; N421-N433 WeakPolarHBondContact CA-O 3.38Å
422	G	87.9	Confident	85.4	Confident	24 Å²	24	67.7 Å²	67.7	25%	0.247	36%	0.356	C	S	.	.			trans	-61	131.1	177.2	0	0	0	0	0	111.3	N433	G422-N433 PolarHBondContact N-O 3.39Å
423	L	90.2	Very high	85.2	Confident	41 Å²	41	68 Å²	68	22%	0.215	36%	0.357	C	S	.	.			trans	-109	129.3	171.4	-177.6	62.6	0	0	0	108.4	L66 V71 L74 V181 N421	L66-L423 HydrophobicContact CD2-CD2 4.22Å; V71-L423 HydrophobicContact CG1-CD1 4.13Å; V71-L423 HydrophobicContact CG2-CD2 4.41Å; L74-L423 HydrophobicContact CD2-CD2 3.56Å; V181-L423 HydrophobicContact CG2-CB 3.66Å; V181-L423 HydrophobicContact CG2-CD2 4.11Å; N421-L423 PolarHBondContact O-N 3.41Å
424	R	91.9	Very high	85.1	Confident	41 Å²	41	70.3 Å²	70.3	16%	0.155	37%	0.371	C	S	.	.			trans	-131.7	140.7	-179	-63.2	-172.5	64.3	83.2	-3.7	111.7	W75 Q89 D93 D426 Q430	W75-R424 WeakPolarHBondContact CH2-O 3.41Å; W75-R424 WeakPolarHBondContact CZ2-O 3.32Å; Q89-R424 VanDerWaalsContact CG-NH2 3.33Å; Q89-R424 VanDerWaalsContact OE1-CA 3.31Å; D93-R424 IonicContact OD1-CZ 2.67Å; D93-R424 IonicContact OD1-NH1 3.25Å; D93-R424 PolarHBondContact OD1-NH1 2.92Å; D93-R424 IonicContact OD2-CZ 2.77Å; D93-R424 IonicContact OD2-NH1 3.33Å; D93-R424 PolarHBondContact OD2-NH1 2.99Å; D93-R424 IonicContact OD2-NH2 3.49Å; D93-R424 PolarHBondContact OD2-NH2 3.03Å; R424-D426 WeakPolarHBondContact CB-OD1 3.36Å; R424-D426 IonicContact CZ-OD1 2.82Å; R424-D426 IonicContact CZ-OD2 3.88Å; R424-D426 IonicContact NE-OD1 2.63Å; R424-D426 PolarHBondContact NE-OD1 3.09Å; R424-D426 IonicContact NE-OD2 3.22Å; R424-D426 PolarHBondContact NE-OD2 3.12Å; R424-D426 IonicContact NH2-OD1 3.91Å; R424-D426 IonicContact NH2-OD2 3.09Å; R424-D426 PolarHBondContact NH2-OD2 3.46Å; R424-Q430 HydrophobicContact CG-CG 4.4Å
425	A	91.9	Very high	85	Confident	7 Å²	7	71.1 Å²	71.1	6%	0.058	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.4	177.5	0	0	0	0	0	113.8	W75 L78 P85 Q89 L177 G427	W75-A425 VanDerWaalsContact CH2-CA 3.44Å; W75-A425 HydrophobicContact CH2-CB 4.38Å; W75-A425 HydrophobicContact CZ3-CB 4.26Å; L78-A425 HydrophobicContact CD1-CB 4.13Å; P85-A425 HydrophobicContact CB-CB 3.99Å; Q89-A425 HydrophobicContact CB-CB 4.26Å; L177-A425 HydrophobicContact CD1-CB 3.91Å; L177-A425 HydrophobicContact CD2-CB 3.86Å; A425-G427 VanDerWaalsContact C-N 3.32Å; A425-G427 PolarHBondContact O-N 2.92Å
426	D	90.2	Very high	85	Confident	23 Å²	23	73.7 Å²	73.7	12%	0.123	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	1.1	-175.5	67.2	-5.1	0	0	0	114.5	K86 Q89 R424 R428	K86-D426 HydrophobicContact CB-CB 4.4Å; K86-D426 HydrophobicContact CG-CB 3.95Å; Q89-D426 HydrophobicContact CB-CB 4.13Å; Q89-D426 HydrophobicContact CG-CB 4.15Å; R424-D426 WeakPolarHBondContact CB-OD1 3.36Å; R424-D426 IonicContact CZ-OD1 2.82Å; R424-D426 IonicContact CZ-OD2 3.88Å; R424-D426 IonicContact NE-OD1 2.63Å; R424-D426 PolarHBondContact NE-OD1 3.09Å; R424-D426 IonicContact NE-OD2 3.22Å; R424-D426 PolarHBondContact NE-OD2 3.12Å; R424-D426 IonicContact NH2-OD1 3.91Å; R424-D426 IonicContact NH2-OD2 3.09Å; R424-D426 PolarHBondContact NH2-OD2 3.46Å; D426-R428 PolarHBondContact O-N 3.33Å; D426-R428 WeakPolarHBondContact OD1-CB 3.39Å; D426-R428 PolarHBondContact OD1-N 2.86Å; D426-R428 VanDerWaalsContact OD1-N 3.11Å; D426-R428 VanDerWaalsContact OD2-CD 3.31Å; D426-R428 WeakPolarHBondContact OD2-CD 3.49Å; D426-R428 IonicContact OD2-NE 3.11Å
427	G	81.5	Confident	84.9	Confident	65 Å²	65	74.4 Å²	74.4	67%	0.67	40%	0.395	S	S	*	.			trans	70.7	0.4	-178.7	0	0	0	0	0	114.7	A425 K429	A425-G427 VanDerWaalsContact C-N 3.32Å; A425-G427 PolarHBondContact O-N 2.92Å; G427-K429 PolarHBondContact O-N 3.35Å
428	R	80.7	Confident	85	Confident	182 Å²	182	72.3 Å²	72.3	69%	0.687	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-71.5	125	176.7	-65.4	-175.8	178.6	173.7	-2.4	109	D426 Q430	D426-R428 PolarHBondContact O-N 3.33Å; D426-R428 WeakPolarHBondContact OD1-CB 3.39Å; D426-R428 PolarHBondContact OD1-N 2.86Å; D426-R428 VanDerWaalsContact OD1-N 3.11Å; D426-R428 VanDerWaalsContact OD2-CD 3.31Å; D426-R428 WeakPolarHBondContact OD2-CD 3.49Å; D426-R428 IonicContact OD2-NE 3.11Å; R428-Q430 PolarHBondContact O-N 2.87Å
429	K	68.6	Low	85.1	Confident	194 Å²	194	71.8 Å²	71.8	84%	0.843	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-68.8	128.5	165.4	-66.5	-177	180	178.5	0	107.9	G427	G427-K429 PolarHBondContact O-N 3.35Å
430	Q	64.9	Low	85.3	Confident	51 Å²	51	66.7 Å²	66.7	24%	0.238	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-69.5	143.1	171	-65.4	-164.9	30	0	0	108.8	R424 R428 F432 N433 E435	R424-Q430 HydrophobicContact CG-CG 4.4Å; R428-Q430 PolarHBondContact O-N 2.87Å; Q430-F432 WeakPolarHBondContact CB-O 3.44Å; Q430-F432 PolarHBondContact O-N 3.31Å; Q430-F432 PolarHBondContact OE1-O 2.95Å; Q430-N433 PolarHBondContact O-OD1 2.89Å; Q430-N433 VanDerWaalsContact O-OD1 3.12Å; Q430-E435 PolarHBondContact NE2-OE1 2.88Å; Q430-E435 PolarHBondContact OE1-OE1 2.84Å
431	I	62	Low	85.5	Confident	167 Å²	167	66.3 Å²	66.3	86%	0.856	35%	0.353	S	S	*	.	S	Bend	trans	-56.9	-43.1	175.1	-59.8	169.9	0	0	0	109.5
432	F	66.9	Low	85.8	Confident	163 Å²	163	63.1 Å²	63.1	72%	0.715	34%	0.335	S	S	*	.	S	Bend	trans	-105.3	110.7	166.1	-60.5	-75.6	0	0	0	108.1	Q430 T434	Q430-F432 WeakPolarHBondContact CB-O 3.44Å; Q430-F432 PolarHBondContact O-N 3.31Å; Q430-F432 PolarHBondContact OE1-O 2.95Å; F432-T434 PolarHBondContact O-N 3.13Å
433	N	79.3	Confident	86.3	Confident	93 Å²	93	62 Å²	62	50%	0.497	32%	0.323	S	S	.	.	S	Bend	trans	-70.1	-11.2	176.8	-80.1	-18.1	0	0	0	113.1	N421 G422 Q430	N421-N433 CarbonylContact C-O 3.56Å; N421-N433 VanDerWaalsContact CA-O 3.23Å; N421-N433 WeakPolarHBondContact CA-O 3.38Å; G422-N433 PolarHBondContact N-O 3.39Å; Q430-N433 PolarHBondContact O-OD1 2.89Å; Q430-N433 VanDerWaalsContact O-OD1 3.12Å
434	T	88.5	Confident	86.7	Confident	65 Å²	65	60 Å²	60	40%	0.399	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.6	-176.8	-51.1	0	0	0	0	110.3	Q419 W420 F432	Q419-T434 HydrophobicContact CB-CG2 3.93Å; Q419-T434 HydrophobicContact CG-CG2 4.21Å; W420-T434 CarbonylContact O-C 3.56Å; W420-T434 WeakPolarHBondContact O-CA 3.3Å; F432-T434 PolarHBondContact O-N 3.13Å
435	E	91.1	Very high	87	Confident	38 Å²	38	58 Å²	58	18%	0.178	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	161.7	171.5	-63	179.2	-179.6	0	0	109.7	K96 Q419 W420 Q430	K96-E435 IonicContact NZ-OE1 3.48Å; K96-E435 PolarHBondContact NZ-OE1 3.44Å; K96-E435 IonicContact NZ-OE2 3.86Å; K96-E435 PolarHBondContact NZ-OE2 3.18Å; Q419-E435 CarbonylContact C-O 3.54Å; Q419-E435 WeakPolarHBondContact CA-O 3.19Å; Q419-E435 WeakPolarHBondContact CB-O 3.48Å; W420-E435 HydrophobicContact CD2-CB 4.5Å; W420-E435 HydrophobicContact CZ2-CB 4.06Å; W420-E435 PolarHBondContact N-O 2.81Å; W420-E435 PolarHBondContact NE1-OE2 3.26Å; W420-E435 PolarHBondContact O-N 3.26Å; Q430-E435 PolarHBondContact NE2-OE1 2.88Å; Q430-E435 PolarHBondContact OE1-OE1 2.84Å
436	T	92.7	Very high	87.3	Confident	105 Å²	105	58.7 Å²	58.7	64%	0.644	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.5	177.1	67.1	0	0	0	0	110	T418 Q419 W420	T418-T436 WeakPolarHBondContact O-CA 3.45Å; Q419-T436 HydrophobicContact CB-CG2 3.91Å; W420-T436 VanDerWaalsContact CH2-C 3.44Å
437	G	92.8	Very high	87.4	Confident	19 Å²	19	59.1 Å²	59.1	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	168.3	173	0	0	0	0	0	111.9	S417 T418 W420	S417-G437 VanDerWaalsContact CA-O 3.24Å; S417-G437 WeakPolarHBondContact CA-O 3.39Å; T418-G437 PolarHBondContact N-O 2.89Å; T418-G437 PolarHBondContact O-N 2.82Å; W420-G437 VanDerWaalsContact CH2-N 3.29Å; W420-G437 VanDerWaalsContact CZ3-N 3.34Å
438	S	94	Very high	87.8	Confident	43 Å²	43	60.5 Å²	60.5	30%	0.301	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.6	178.3	63.1	0	0	0	0	112.3	S315 F416	S315-S438 PolarHBondContact OG-O 3.04Å; S315-S438 PolarHBondContact OG-OG 3.49Å; F416-S438 CarbonylContact O-C 3.58Å; F416-S438 WeakPolarHBondContact O-CA 3.44Å; F416-S438 VanDerWaalsContact O-CB 3.28Å; F416-S438 WeakPolarHBondContact O-CB 3.45Å
439	F	95.6	Very high	88.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	167.1	-173.9	62.9	-81.4	0	0	0	109.5	E186 F189 V190 I312 D313 S415 F416 T418 Y441	E186-F439 HydrophobicContact CB-CD1 4.15Å; E186-F439 HydrophobicContact CB-CD2 4.44Å; E186-F439 HydrophobicContact CB-CE1 4.31Å; E186-F439 HydrophobicContact CB-CG 4.2Å; E186-F439 HydrophobicContact CG-CB 4.24Å; E186-F439 HydrophobicContact CG-CD1 3.56Å; E186-F439 HydrophobicContact CG-CE1 4.01Å; E186-F439 HydrophobicContact CG-CG 3.89Å; F189-F439 HydrophobicContact CB-CZ 3.95Å; F189-F439 HydrophobicContact CD1-CE2 4.07Å; F189-F439 AromaticContact CD1-CZ 3.49Å; F189-F439 HydrophobicContact CD1-CZ 3.49Å; F189-F439 VanDerWaalsContact CD1-CZ 3.49Å; F189-F439 HydrophobicContact CD2-CZ 4.49Å; F189-F439 HydrophobicContact CE1-CZ 4.08Å; F189-F439 AromaticContact CG-CZ 3.74Å; F189-F439 HydrophobicContact CG-CZ 3.74Å; V190-F439 HydrophobicContact CG2-CD2 4.45Å; V190-F439 HydrophobicContact CG2-CE2 3.6Å; V190-F439 HydrophobicContact CG2-CZ 4.37Å; I312-F439 HydrophobicContact CG2-CD2 3.89Å; D313-F439 CarbonylContact O-C 3.5Å; D313-F439 WeakPolarHBondContact O-CA 3.11Å; D313-F439 WeakPolarHBondContact O-CB 3.43Å; S415-F439 CarbonylContact C-O 3.57Å; S415-F439 WeakPolarHBondContact CA-O 3.48Å; F416-F439 HydrophobicContact CB-CE1 4.12Å; F416-F439 HydrophobicContact CB-CE2 4.1Å; F416-F439 HydrophobicContact CB-CZ 3.88Å; F416-F439 PolarHBondContact N-O 3.16Å; F416-F439 PolarHBondContact O-N 2.81Å; T418-F439 HydrophobicContact CG2-CD1 4.38Å; T418-F439 HydrophobicContact CG2-CE1 3.78Å; F439-Y441 HydrophobicContact CD2-CD1 4.43Å; F439-Y441 AromaticContact CE2-CD1 3.95Å; F439-Y441 HydrophobicContact CE2-CD1 3.95Å
440	S	96	Very high	89.1	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.2	171.5	-69.9	0	0	0	0	108.4	D313 L323 C414	D313-S440 PolarHBondContact N-O 3.06Å; D313-S440 PolarHBondContact O-N 2.92Å; D313-S440 VanDerWaalsContact O-O 3.06Å; L323-S440 VanDerWaalsContact CD1-C 3.49Å; L323-S440 WeakPolarHBondContact CD1-O 3.48Å; C414-S440 WeakPolarHBondContact O-CB 3.28Å; C414-S440 PolarHBondContact O-OG 2.88Å
441	Y	97.7	Very high	89.6	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	160.2	177.9	75.5	-84.8	0	0	0	111.3	F189 V190 E193 L311 A395 P396 F416 F439 I443	F189-Y441 HydrophobicContact CE1-CE1 4.21Å; V190-Y441 HydrophobicContact CB-CD2 4.39Å; V190-Y441 HydrophobicContact CB-CG 4.5Å; V190-Y441 HydrophobicContact CG1-CD2 3.57Å; V190-Y441 HydrophobicContact CG1-CE2 3.94Å; V190-Y441 HydrophobicContact CG1-CG 4.07Å; V190-Y441 HydrophobicContact CG2-CD1 3.75Å; V190-Y441 HydrophobicContact CG2-CD2 3.93Å; V190-Y441 HydrophobicContact CG2-CE1 4.22Å; V190-Y441 HydrophobicContact CG2-CE2 4.38Å; V190-Y441 HydrophobicContact CG2-CG 3.58Å; E193-Y441 HydrophobicContact CG-CE2 4.41Å; E193-Y441 PolarHBondContact OE1-OH 2.88Å; L311-Y441 CarbonylContact O-C 3.56Å; L311-Y441 WeakPolarHBondContact O-CA 3.49Å; L311-Y441 WeakPolarHBondContact O-CB 3.48Å; A395-Y441 HydrophobicContact CB-CE2 3.87Å; P396-Y441 HydrophobicContact CB-CE1 4.06Å; P396-Y441 HydrophobicContact CB-CE2 4.16Å; P396-Y441 WeakPolarHBondContact CD-O 3.47Å; P396-Y441 HydrophobicContact CG-CE1 4.25Å; P396-Y441 HydrophobicContact CG-CE2 4.31Å; P396-Y441 WeakPolarHBondContact CG-O 3.46Å; F416-Y441 HydrophobicContact CD1-CE1 4.04Å; F416-Y441 AromaticContact CD2-CD1 3.53Å; F416-Y441 HydrophobicContact CD2-CD1 3.53Å; F416-Y441 AromaticContact CD2-CE1 3.58Å; F416-Y441 HydrophobicContact CD2-CE1 3.58Å; F416-Y441 AromaticContact CE1-CE1 3.97Å; F416-Y441 HydrophobicContact CE1-CE1 3.97Å; F416-Y441 AromaticContact CE2-CD1 3.66Å; F416-Y441 HydrophobicContact CE2-CD1 3.66Å; F416-Y441 AromaticContact CE2-CE1 3.53Å; F416-Y441 HydrophobicContact CE2-CE1 3.53Å; F416-Y441 HydrophobicContact CG-CD1 4.16Å; F416-Y441 AromaticContact CG-CE1 3.86Å; F416-Y441 HydrophobicContact CG-CE1 3.86Å; F416-Y441 HydrophobicContact CZ-CD1 4.35Å; F416-Y441 AromaticContact CZ-CE1 3.76Å; F416-Y441 HydrophobicContact CZ-CE1 3.76Å; F439-Y441 HydrophobicContact CD2-CD1 4.43Å; F439-Y441 AromaticContact CE2-CD1 3.95Å; F439-Y441 HydrophobicContact CE2-CD1 3.95Å; Y441-I443 HydrophobicContact CD2-CD1 4.49Å; Y441-I443 HydrophobicContact CD2-CG1 3.99Å; Y441-I443 HydrophobicContact CE2-CD1 4.23Å; Y441-I443 HydrophobicContact CE2-CG1 4.09Å
442	V	98	Very high	90	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.4	164.7	66.2	0	0	0	0	108.9	L311 L323 R327 V393 A395 M444	L311-V442 HydrophobicContact CB-CG1 3.91Å; L311-V442 HydrophobicContact CD1-CG1 3.99Å; L311-V442 HydrophobicContact CG-CG1 4.33Å; L311-V442 PolarHBondContact N-O 2.92Å; L311-V442 PolarHBondContact O-N 3.49Å; L323-V442 HydrophobicContact CB-CG1 4.45Å; L323-V442 HydrophobicContact CD2-CG1 4.23Å; R327-V442 HydrophobicContact CB-CG2 4.25Å; R327-V442 HydrophobicContact CG-CG2 4.24Å; V393-V442 HydrophobicContact CG1-CG2 3.8Å; A395-V442 CarbonylContact O-C 3.5Å; A395-V442 WeakPolarHBondContact O-CA 3.36Å; V442-M444 HydrophobicContact CG2-CG 4.49Å; V442-M444 HydrophobicContact CG2-SD 3.71Å
443	I	98.3	Very high	90.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.4	170.9	-52.4	-178.1	0	0	0	106.6	V190 E193 F194 Y308 L309 V310 F394 A395 Y441	V190-I443 HydrophobicContact CG1-CD1 3.72Å; V190-I443 HydrophobicContact CG1-CG1 4Å; E193-I443 HydrophobicContact CB-CD1 4.19Å; E193-I443 HydrophobicContact CG-CD1 4.43Å; F194-I443 HydrophobicContact CE2-CD1 4.38Å; F194-I443 HydrophobicContact CZ-CD1 4.19Å; F194-I443 HydrophobicContact CZ-CG2 4.1Å; Y308-I443 HydrophobicContact CD1-CG2 3.9Å; Y308-I443 HydrophobicContact CG-CG2 4.42Å; L309-I443 WeakPolarHBondContact O-CA 3.36Å; V310-I443 HydrophobicContact CG1-CG1 4.34Å; V310-I443 HydrophobicContact CG2-CD1 4.42Å; V310-I443 HydrophobicContact CG2-CG1 4.22Å; V310-I443 HydrophobicContact CG2-CG2 4.06Å; F394-I443 HydrophobicContact CB-CB 4.21Å; F394-I443 HydrophobicContact CB-CG2 4.03Å; F394-I443 WeakPolarHBondContact CB-O 3.16Å; F394-I443 HydrophobicContact CD1-CB 4.05Å; F394-I443 HydrophobicContact CD1-CD1 4.05Å; F394-I443 HydrophobicContact CD1-CG2 3.8Å; F394-I443 HydrophobicContact CE1-CD1 4.43Å; F394-I443 HydrophobicContact CG-CG2 4.32Å; F394-I443 PolarHBondContact N-O 2.88Å; A395-I443 HydrophobicContact CB-CB 4.4Å; A395-I443 HydrophobicContact CB-CD1 4.14Å; A395-I443 HydrophobicContact CB-CG1 4.32Å; A395-I443 PolarHBondContact N-O 3.04Å; A395-I443 PolarHBondContact O-N 3.46Å; Y441-I443 HydrophobicContact CD2-CD1 4.49Å; Y441-I443 HydrophobicContact CD2-CG1 3.99Å; Y441-I443 HydrophobicContact CE2-CD1 4.23Å; Y441-I443 HydrophobicContact CE2-CG1 4.09Å
444	M	98.5	Very high	90	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.6	172	-58.5	-54	-66.7	0	0	109.1	W302 Y308 L309 R327 I330 L331 V393 V442	W302-M444 HydrophobicContact CH2-CB 4.04Å; W302-M444 HydrophobicContact CZ3-CB 3.71Å; Y308-M444 CarbonylContact C-O 3.58Å; Y308-M444 VanDerWaalsContact CA-O 3.31Å; Y308-M444 WeakPolarHBondContact CA-O 3.42Å; L309-M444 HydrophobicContact CB-CB 4.4Å; L309-M444 PolarHBondContact N-O 3.17Å; L309-M444 PolarHBondContact O-N 3.02Å; R327-M444 HydrophobicContact CB-SD 4.31Å; R327-M444 HydrophobicContact CG-SD 4.06Å; I330-M444 HydrophobicContact CB-CE 4.07Å; I330-M444 HydrophobicContact CD1-CB 4.31Å; I330-M444 HydrophobicContact CD1-CG 3.9Å; I330-M444 HydrophobicContact CG2-CE 3.77Å; L331-M444 HydrophobicContact CD2-CE 3.83Å; L331-M444 HydrophobicContact CG-CE 3.85Å; V393-M444 HydrophobicContact CB-SD 4.48Å; V393-M444 HydrophobicContact CG2-CE 4.08Å; V393-M444 HydrophobicContact CG2-SD 3.94Å; V442-M444 HydrophobicContact CG2-CG 4.49Å; V442-M444 HydrophobicContact CG2-SD 3.71Å
445	A	97.9	Very high	89.9	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.6	177.8	0	0	0	0	0	110.8	K307 Y308 G391 Y392 F394	K307-A445 CarbonylContact O-C 3.47Å; K307-A445 VanDerWaalsContact O-CA 3.3Å; K307-A445 WeakPolarHBondContact O-CA 3.44Å; Y308-A445 HydrophobicContact CD1-CB 3.64Å; Y308-A445 HydrophobicContact CE1-CB 3.54Å; G391-A445 CarbonylContact C-O 3.55Å; G391-A445 WeakPolarHBondContact CA-O 3.33Å; Y392-A445 HydrophobicContact CD1-CB 3.98Å; Y392-A445 HydrophobicContact CE1-CB 3.49Å; Y392-A445 VanDerWaalsContact CE1-CB 3.49Å; Y392-A445 HydrophobicContact CE2-CB 4.11Å; Y392-A445 HydrophobicContact CG-CB 4.49Å; Y392-A445 PolarHBondContact N-O 2.86Å; Y392-A445 PolarHBondContact O-N 2.89Å; F394-A445 HydrophobicContact CB-CB 3.96Å
446	K	97.2	Very high	90	Very high	20 Å²	20	50.2 Å²	50.2	9%	0.087	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.6	175.5	-85.4	-162.6	170.8	-177.8	0	112.4	W302 T305 K307 E389	W302-K446 HydrophobicContact CH2-CB 4.28Å; W302-K446 HydrophobicContact CH2-CG 3.49Å; W302-K446 VanDerWaalsContact CH2-CG 3.49Å; W302-K446 HydrophobicContact CZ2-CB 4.43Å; W302-K446 HydrophobicContact CZ2-CG 3.47Å; W302-K446 VanDerWaalsContact CZ2-CG 3.47Å; W302-K446 HydrophobicContact CZ3-CG 4.1Å; W302-K446 VanDerWaalsContact O-CE 3.3Å; W302-K446 WeakPolarHBondContact O-CE 3.42Å; W302-K446 PolarHBondContact O-NZ 3.25Å; T305-K446 WeakPolarHBondContact O-CD 3.37Å; T305-K446 WeakPolarHBondContact O-CE 3.35Å; T305-K446 PolarHBondContact O-NZ 3.09Å; K307-K446 PolarHBondContact NZ-O 3.48Å; K307-K446 PolarHBondContact O-N 3.33Å; E389-K446 IonicContact OE1-NZ 2.72Å; E389-K446 PolarHBondContact OE1-NZ 3.39Å; E389-K446 WeakPolarHBondContact OE2-CE 3.36Å; E389-K446 IonicContact OE2-NZ 3.58Å; E389-K446 PolarHBondContact OE2-NZ 2.94Å
447	G	93.7	Very high	90	Very high	33 Å²	33	45.6 Å²	45.6	34%	0.34	26%	0.255	S	S	.	.	S	Bend	trans	95.6	-167	178.1	0	0	0	0	0	113.5	P390 G391 Y392	P390-G447 PolarHBondContact O-N 3.39Å; G391-G447 WeakPolarHBondContact CA-O 3.48Å; Y392-G447 WeakPolarHBondContact CD1-O 3.44Å
448	A	90.1	Very high	90	Very high	93 Å²	93	44.7 Å²	44.7	77%	0.769	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-78	145.1	176.5	0	0	0	0	0	111.5
449	R	90.4	Very high	90	Very high	81 Å²	81	43.6 Å²	43.6	31%	0.306	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-61.9	127.6	170.3	177.7	177.1	-94.5	-122.2	-11	109.3	Y392 V393 P398 D400	Y392-R449 HydrophobicContact CD1-CB 4.2Å; Y392-R449 HydrophobicContact CD2-CB 3.85Å; Y392-R449 HydrophobicContact CD2-CG 3.97Å; Y392-R449 HydrophobicContact CE2-CB 4.49Å; Y392-R449 HydrophobicContact CE2-CG 4.4Å; Y392-R449 HydrophobicContact CG-CB 3.69Å; Y392-R449 HydrophobicContact CG-CG 4.33Å; V393-R449 PolarHBondContact O-NH2 3.22Å; P398-R449 VanDerWaalsContact C-NH2 3.32Å; P398-R449 PolarHBondContact O-NH1 2.99Å; P398-R449 PolarHBondContact O-NH2 3.49Å; D400-R449 IonicContact OD1-CZ 2.77Å; D400-R449 IonicContact OD1-NE 3.78Å; D400-R449 IonicContact OD1-NH2 3.91Å; D400-R449 WeakPolarHBondContact OD2-CD 3.38Å; D400-R449 IonicContact OD2-CZ 3.05Å; D400-R449 IonicContact OD2-NE 3.61Å; D400-R449 PolarHBondContact OD2-NE 3.5Å
450	P	86.6	Confident	89.8	Confident	57 Å²	57	46.2 Å²	46.2	37%	0.37	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-69.7	147.1	-179.5	29.7	-35.4	0	0	0	111.4	Q452	P450-Q452 HydrophobicContact CB-CG 4.11Å; P450-Q452 HydrophobicContact CG-CG 4.23Å; P450-Q452 PolarHBondContact O-N 3.28Å
451	H	74.3	Confident	89.7	Confident	204 Å²	204	46.7 Å²	46.7	94%	0.944	26%	0.255	S	S	*	.			trans	-73.2	67.4	170.6	-60.2	-71.5	0	0	0	110.5
452	Q	70.5	Confident	89.5	Confident	145 Å²	145	53.5 Å²	53.5	68%	0.678	28%	0.284	S	S	*	.			trans	-99.3	169.8	174.8	-74.2	-179.8	0.6	0	0	111.3	P450	P450-Q452 HydrophobicContact CB-CG 4.11Å; P450-Q452 HydrophobicContact CG-CG 4.23Å; P450-Q452 PolarHBondContact O-N 3.28Å
453	I	70.1	Confident	89.2	Confident	104 Å²	104	60.1 Å²	60.1	53%	0.533	31%	0.309	S	S	.	.			trans	-52.3	130.1	175.3	-62.2	171.2	0	0	0	108.9	E455	I453-E455 PolarHBondContact O-N 3.25Å
454	P	76.4	Confident	88.9	Confident	51 Å²	51	62.5 Å²	62.5	33%	0.331	33%	0.334	S	S	.	.			trans	-61.7	104.2	-178.5	-18.7	29.4	0	0	0	111.3	P475	P454-P475 HydrophobicContact CB-CB 4.28Å; P454-P475 HydrophobicContact CB-CG 3.71Å
455	E	86.3	Confident	88.5	Confident	95 Å²	95	66.2 Å²	66.2	44%	0.444	37%	0.373	S	S	.	.			trans	-79.1	132.8	177.9	-66.3	-167.4	160.2	0	0	110.5	P398 I453 P475 V503	P398-E455 WeakPolarHBondContact CB-O 3.41Å; I453-E455 PolarHBondContact O-N 3.25Å; E455-P475 VanDerWaalsContact O-CG 3.32Å; E455-P475 WeakPolarHBondContact O-CG 3.39Å; E455-V503 HydrophobicContact CB-CG1 3.88Å; E455-V503 HydrophobicContact CG-CG1 4.05Å; E455-V503 WeakPolarHBondContact OE2-CG2 3.49Å
456	S	92.1	Very high	88.1	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.007	39%	0.386	C	S	.	.			trans	-110.1	142.7	175.9	-69.5	0	0	0	0	111.2	V503 L504	S456-V503 WeakPolarHBondContact O-CA 3.14Å; S456-L504 PolarHBondContact O-N 3.28Å
457	R	93.1	Very high	87.9	Confident	8 Å²	8	70.4 Å²	70.4	3%	0.03	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.4	-171.8	-170.3	67.3	46.7	168.4	-0	111	E193 P396 P398 L459 V472 C473 G501	E193-R457 IonicContact OE1-NH1 3.59Å; E193-R457 PolarHBondContact OE1-NH1 2.96Å; E193-R457 IonicContact OE2-CZ 3.43Å; E193-R457 IonicContact OE2-NH1 2.95Å; E193-R457 PolarHBondContact OE2-NH1 2.94Å; E193-R457 IonicContact OE2-NH2 2.89Å; E193-R457 PolarHBondContact OE2-NH2 3.48Å; P396-R457 PolarHBondContact O-NE 3.41Å; P398-R457 HydrophobicContact CG-CB 4.31Å; R457-L459 HydrophobicContact CG-CD2 4.44Å; R457-L459 PolarHBondContact O-N 3Å; R457-V472 CarbonylContact O-C 3.49Å; R457-V472 VanDerWaalsContact O-CA 3.32Å; R457-V472 WeakPolarHBondContact O-CA 3.41Å; R457-C473 HydrophobicContact CB-CB 4.26Å; R457-C473 PolarHBondContact N-O 2.95Å; R457-C473 PolarHBondContact O-N 3.19Å; R457-G501 WeakPolarHBondContact CD-O 3.4Å; R457-G501 PolarHBondContact NH1-O 2.93Å
458	L	93.6	Very high	87.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	115.6	177.4	-178.4	63.4	0	0	0	111.1	T460 L461 C470 V472 V498 G501 R502 L504	L458-T460 WeakPolarHBondContact CD1-O 3.33Å; L458-L461 HydrophobicContact CD1-CB 4.35Å; L458-L461 HydrophobicContact CD2-CB 4.09Å; L458-L461 HydrophobicContact CD2-CD2 4.09Å; L458-C470 HydrophobicContact CD1-CB 4.06Å; L458-V472 HydrophobicContact CD1-CG2 4.31Å; L458-V498 HydrophobicContact CD2-CB 3.98Å; L458-V498 HydrophobicContact CD2-CG1 3.72Å; L458-G501 VanDerWaalsContact O-CA 3.3Å; L458-G501 WeakPolarHBondContact O-CA 3.44Å; L458-G501 PolarHBondContact O-N 3.39Å; L458-R502 PolarHBondContact N-O 3.16Å; L458-L504 HydrophobicContact CB-CD2 3.84Å; L458-L504 HydrophobicContact CB-CG 4.29Å; L458-L504 HydrophobicContact CD1-CD2 4.23Å; L458-L504 HydrophobicContact CD2-CD2 4.37Å; L458-L504 HydrophobicContact CG-CD2 4.37Å
459	L	93.2	Very high	88.1	Confident	19 Å²	19	66.1 Å²	66.1	10%	0.099	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-35.6	179.2	-56	-176.5	0	0	0	113	R457 T471 C473 I479 I500	R457-L459 HydrophobicContact CG-CD2 4.44Å; R457-L459 PolarHBondContact O-N 3Å; L459-T471 WeakPolarHBondContact CA-O 3.48Å; L459-T471 HydrophobicContact CB-CG2 4.47Å; L459-T471 WeakPolarHBondContact CB-O 3.39Å; L459-T471 HydrophobicContact CD1-CG2 4.49Å; L459-T471 PolarHBondContact N-O 3.4Å; L459-C473 HydrophobicContact CD1-CB 4.06Å; L459-C473 HydrophobicContact CD2-CB 4.18Å; L459-C473 HydrophobicContact CG-CB 4.18Å; L459-I479 HydrophobicContact CD1-CD1 4.08Å; L459-I479 HydrophobicContact CD1-CG1 4.31Å; L459-I479 HydrophobicContact CD1-CG2 4.01Å; L459-I500 VanDerWaalsContact O-CG2 3.22Å; L459-I500 WeakPolarHBondContact O-CG2 3.38Å
460	T	92.9	Very high	88.3	Confident	55 Å²	55	62.2 Å²	62.2	34%	0.337	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.1	179.6	-56.4	0	0	0	0	110	L458 K462 C470 T471	L458-T460 WeakPolarHBondContact CD1-O 3.33Å; T460-K462 HydrophobicContact CG2-CG 4.32Å; T460-C470 WeakPolarHBondContact O-CA 3Å; T460-T471 PolarHBondContact N-O 3Å; T460-T471 PolarHBondContact O-N 3.28Å
461	L	93.4	Very high	88.7	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.063	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	107.3	179.1	-173.8	63.6	0	0	0	110.4	L458 R463 V468 C469 C470 V495 V498 I500	L458-L461 HydrophobicContact CD1-CB 4.35Å; L458-L461 HydrophobicContact CD2-CB 4.09Å; L458-L461 HydrophobicContact CD2-CD2 4.09Å; L461-R463 HydrophobicContact CG-CG 4.49Å; L461-V468 HydrophobicContact CD1-CB 3.88Å; L461-V468 HydrophobicContact CD1-CG2 4.43Å; L461-C469 WeakPolarHBondContact CA-O 2.96Å; L461-C470 VanDerWaalsContact CD1-SG 3.55Å; L461-V495 HydrophobicContact CD1-CG1 4.2Å; L461-V498 WeakPolarHBondContact CD2-O 3.47Å; L461-I500 HydrophobicContact CB-CG1 4.34Å
462	K	93.8	Very high	89.7	Confident	146 Å²	146	50.5 Å²	50.5	64%	0.635	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.3	174.6	-62.5	-175.8	-179.9	-177.1	0	109.3	T460 V468 C469	T460-K462 HydrophobicContact CG2-CG 4.32Å; K462-V468 CarbonylContact O-C 3.46Å; K462-V468 WeakPolarHBondContact O-CA 3.44Å; K462-C469 HydrophobicContact CB-CB 4.3Å; K462-C469 PolarHBondContact N-O 3.49Å; K462-C469 PolarHBondContact O-N 2.95Å
463	R	92.1	Very high	90.8	Very high	138 Å²	138	44 Å²	44	52%	0.521	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.5	-177.2	-56.6	177.4	179.5	87.8	-3.6	109.5	L461 V468 K496	L461-R463 HydrophobicContact CG-CG 4.49Å; R463-V468 HydrophobicContact CG-CG1 4.1Å; R463-K496 VanDerWaalsContact CZ-O 3.31Å; R463-K496 PolarHBondContact NE-O 3.04Å; R463-K496 PolarHBondContact NH2-O 3.16Å
464	G	91.7	Very high	91.9	Very high	50 Å²	50	39.4 Å²	39.4	52%	0.515	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	144.6	175.4	0	0	0	0	0	112.7	G466 H467	G464-G466 VanDerWaalsContact C-N 3.28Å; G464-G466 PolarHBondContact O-N 3.04Å; G464-G466 VanDerWaalsContact O-N 3.11Å; G464-H467 PolarHBondContact N-O 2.85Å; G464-H467 VanDerWaalsContact N-O 3.08Å; G464-H467 WeakPolarHBondContact O-CA 3.43Å; G464-H467 WeakPolarHBondContact O-CB 3.44Å; G464-H467 PolarHBondContact O-N 3.02Å
465	G	89.3	Confident	92.5	Very high	79 Å²	79	37.4 Å²	37.4	81%	0.814	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	33.7	171.2	0	0	0	0	0	115.7	H467	G465-H467 VanDerWaalsContact C-N 3.26Å; G465-H467 PolarHBondContact O-CE1 3.44Å; G465-H467 PolarHBondContact O-N 3.05Å; G465-H467 PolarHBondContact O-ND1 3.15Å
466	G	89.2	Confident	92.3	Very high	28 Å²	28	41 Å²	41	29%	0.289	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	14.2	-175.4	0	0	0	0	0	114.7	G464 K486 Y492	G464-G466 VanDerWaalsContact C-N 3.28Å; G464-G466 PolarHBondContact O-N 3.04Å; G464-G466 VanDerWaalsContact O-N 3.11Å; G466-K486 VanDerWaalsContact O-CB 3.27Å; G466-K486 WeakPolarHBondContact O-CB 3.19Å; G466-K486 PolarHBondContact O-N 2.84Å; G466-Y492 VanDerWaalsContact O-CE2 3.28Å; G466-Y492 WeakPolarHBondContact O-CE2 3Å
467	H	92.8	Very high	91.9	Very high	80 Å²	80	42.6 Å²	42.6	37%	0.37	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.8	177.2	-62.1	80.5	0	0	0	110.4	G464 G465 T483 I484 S485	G464-H467 PolarHBondContact N-O 2.85Å; G464-H467 VanDerWaalsContact N-O 3.08Å; G464-H467 WeakPolarHBondContact O-CA 3.43Å; G464-H467 WeakPolarHBondContact O-CB 3.44Å; G464-H467 PolarHBondContact O-N 3.02Å; G465-H467 VanDerWaalsContact C-N 3.26Å; G465-H467 PolarHBondContact O-CE1 3.44Å; G465-H467 PolarHBondContact O-N 3.05Å; G465-H467 PolarHBondContact O-ND1 3.15Å; H467-T483 HydrophobicContact CB-CG2 3.84Å; H467-I484 CarbonylContact C-O 3.59Å; H467-I484 WeakPolarHBondContact CA-O 3.43Å; H467-S485 VanDerWaalsContact CD2-CB 3.46Å; H467-S485 WeakPolarHBondContact CD2-CB 3.48Å
468	V	93.8	Very high	91.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.1	167.1	-63	0	0	0	0	109.5	L461 K462 R463 T483 I484 Y492 V495	L461-V468 HydrophobicContact CD1-CB 3.88Å; L461-V468 HydrophobicContact CD1-CG2 4.43Å; K462-V468 CarbonylContact O-C 3.46Å; K462-V468 WeakPolarHBondContact O-CA 3.44Å; R463-V468 HydrophobicContact CG-CG1 4.1Å; V468-T483 WeakPolarHBondContact O-CA 3.5Å; V468-I484 HydrophobicContact CG2-CB 3.72Å; V468-I484 HydrophobicContact CG2-CD1 4.45Å; V468-I484 HydrophobicContact CG2-CG1 4.5Å; V468-I484 HydrophobicContact CG2-CG2 4.4Å; V468-I484 PolarHBondContact N-O 3.19Å; V468-I484 PolarHBondContact O-N 3.45Å; V468-Y492 HydrophobicContact CG1-CE2 3.86Å; V468-Y492 HydrophobicContact CG2-CD2 4.16Å; V468-Y492 HydrophobicContact CG2-CE2 4.28Å; V468-V495 HydrophobicContact CG2-CB 4.41Å; V468-V495 HydrophobicContact CG2-CG1 4.41Å
469	C	95.5	Very high	91.7	Very high	35 Å²	35	43.5 Å²	43.5	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.7	174.7	177.2	0	0	0	0	108.6	L461 K462	L461-C469 WeakPolarHBondContact CA-O 2.96Å; K462-C469 HydrophobicContact CB-CB 4.3Å; K462-C469 PolarHBondContact N-O 3.49Å; K462-C469 PolarHBondContact O-N 2.95Å
470	C	94.8	Very high	91.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.4	-175	-54.6	0	0	0	0	109.1	L458 T460 L461 V472 R481 F482	L458-C470 HydrophobicContact CD1-CB 4.06Å; T460-C470 WeakPolarHBondContact O-CA 3Å; L461-C470 VanDerWaalsContact CD1-SG 3.55Å; C470-V472 HydrophobicContact CB-CG2 3.89Å; C470-R481 VanDerWaalsContact O-CA 3.31Å; C470-R481 WeakPolarHBondContact O-CA 3.4Å; C470-F482 HydrophobicContact CB-CD2 4.46Å; C470-F482 HydrophobicContact CB-CE2 4.18Å; C470-F482 HydrophobicContact CB-CZ 4.31Å; C470-F482 PolarHBondContact N-O 2.88Å; C470-F482 PolarHBondContact O-N 3.44Å
471	T	94.5	Very high	91.8	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.092	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.3	161.4	-58.2	0	0	0	0	107.4	V40 L459 T460 I479 Q480 R481	V40-T471 HydrophobicContact CG2-CG2 4.22Å; L459-T471 WeakPolarHBondContact CA-O 3.48Å; L459-T471 HydrophobicContact CB-CG2 4.47Å; L459-T471 WeakPolarHBondContact CB-O 3.39Å; L459-T471 HydrophobicContact CD1-CG2 4.49Å; L459-T471 PolarHBondContact N-O 3.4Å; T460-T471 PolarHBondContact N-O 3Å; T460-T471 PolarHBondContact O-N 3.28Å; T471-I479 HydrophobicContact CG2-CG2 3.5Å; T471-I479 VanDerWaalsContact CG2-CG2 3.5Å; T471-Q480 CarbonylContact C-O 3.55Å; T471-Q480 WeakPolarHBondContact CA-O 3.42Å; T471-R481 PolarHBondContact OG1-NE 2.97Å
472	V	94.8	Very high	91.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.4	-162.8	-179.9	0	0	0	0	109.2	R457 L458 C470 T474 I479 Q480 F482 L504	R457-V472 CarbonylContact O-C 3.49Å; R457-V472 VanDerWaalsContact O-CA 3.32Å; R457-V472 WeakPolarHBondContact O-CA 3.41Å; L458-V472 HydrophobicContact CD1-CG2 4.31Å; C470-V472 HydrophobicContact CB-CG2 3.89Å; V472-T474 HydrophobicContact CG1-CG2 4.17Å; V472-I479 CarbonylContact O-C 3.55Å; V472-I479 WeakPolarHBondContact O-CA 3.41Å; V472-Q480 PolarHBondContact N-O 2.81Å; V472-Q480 PolarHBondContact O-N 2.66Å; V472-F482 HydrophobicContact CB-CE1 3.99Å; V472-F482 HydrophobicContact CB-CZ 4.49Å; V472-F482 HydrophobicContact CG2-CE1 3.57Å; V472-F482 HydrophobicContact CG2-CZ 3.71Å; V472-L504 HydrophobicContact CB-CD1 4.2Å; V472-L504 HydrophobicContact CG1-CD1 3.42Å; V472-L504 VanDerWaalsContact CG1-CD1 3.42Å; V472-L504 HydrophobicContact CG2-CD1 3.66Å
473	C	94.4	Very high	91.9	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.3	166.4	-162.5	0	0	0	0	108.4	P398 H399 R457 L459	P398-C473 HydrophobicContact CG-CB 4Å; P398-C473 WeakPolarHBondContact CG-O 3.31Å; H399-C473 PolarHBondContact NE2-SG 2.91Å; H399-C473 VanDerWaalsContact NE2-SG 3.38Å; R457-C473 HydrophobicContact CB-CB 4.26Å; R457-C473 PolarHBondContact N-O 2.95Å; R457-C473 PolarHBondContact O-N 3.19Å; L459-C473 HydrophobicContact CD1-CB 4.06Å; L459-C473 HydrophobicContact CD2-CB 4.18Å; L459-C473 HydrophobicContact CG-CB 4.18Å
474	T	92.5	Very high	91.9	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.037	21%	0.214	C	C	.	.			trans	-113.7	157.4	-177.8	69.7	0	0	0	0	111.1	H399 V472 F476 C477 G478 Q480	H399-T474 PolarHBondContact CD2-O 3.03Å; V472-T474 HydrophobicContact CG1-CG2 4.17Å; T474-F476 VanDerWaalsContact C-N 3.34Å; T474-F476 PolarHBondContact O-N 3.46Å; T474-C477 VanDerWaalsContact OG1-C 3.26Å; T474-C477 WeakPolarHBondContact OG1-CA 3.19Å; T474-C477 PolarHBondContact OG1-N 2.94Å; T474-C477 VanDerWaalsContact OG1-N 3.09Å; T474-G478 PolarHBondContact N-O 3.18Å; T474-G478 PolarHBondContact OG1-N 3.38Å; T474-G478 PolarHBondContact OG1-O 3.44Å; T474-Q480 HydrophobicContact CG2-CB 4.12Å; T474-Q480 HydrophobicContact CG2-CG 3.81Å
475	P	88.6	Confident	91.9	Very high	10 Å²	10	32.8 Å²	32.8	7%	0.065	20%	0.195	C	C	.	.	S	Bend	trans	-60.2	-33.9	179.4	-31.5	39.4	0	0	0	116	P398 H399 P454 E455	P398-P475 HydrophobicContact CB-CG 4.12Å; P398-P475 WeakPolarHBondContact O-CA 3.42Å; P398-P475 WeakPolarHBondContact O-CB 3.32Å; H399-P475 WeakPolarHBondContact CB-O 3.41Å; P454-P475 HydrophobicContact CB-CB 4.28Å; P454-P475 HydrophobicContact CB-CG 3.71Å; E455-P475 VanDerWaalsContact O-CG 3.32Å; E455-P475 WeakPolarHBondContact O-CG 3.39Å
476	F	82.9	Confident	92	Very high	170 Å²	170	36.2 Å²	36.2	75%	0.746	19%	0.187	S	C	*	.	S	Bend	trans	-131.8	-25.2	-170.9	-59.2	-70.2	0	0	0	114.5	T474	T474-F476 VanDerWaalsContact C-N 3.34Å; T474-F476 PolarHBondContact O-N 3.46Å
477	C	83.9	Confident	91.9	Very high	34 Å²	34	39.1 Å²	39.1	23%	0.23	20%	0.203	C	C	.	.	S	Bend	trans	-107.9	29.7	-170	-55.4	0	0	0	0	112.2	N39 T474 Q480 V510	N39-C477 PolarHBondContact ND2-O 3.23Å; T474-C477 VanDerWaalsContact OG1-C 3.26Å; T474-C477 WeakPolarHBondContact OG1-CA 3.19Å; T474-C477 PolarHBondContact OG1-N 2.94Å; T474-C477 VanDerWaalsContact OG1-N 3.09Å; C477-Q480 PolarHBondContact O-NE2 3.14Å; C477-V510 HydrophobicContact CB-CG2 3.95Å; C477-V510 WeakPolarHBondContact SG-CG2 3.46Å
478	G	88.5	Confident	91.7	Very high	19 Å²	19	36.4 Å²	36.4	20%	0.196	19%	0.191	C	C	.	.			trans	59.5	-148.9	-179.7	0	0	0	0	0	113.7	T474	T474-G478 PolarHBondContact N-O 3.18Å; T474-G478 PolarHBondContact OG1-N 3.38Å; T474-G478 PolarHBondContact OG1-O 3.44Å
479	I	92.5	Very high	91.5	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.046	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.5	179.8	-57.6	176.2	0	0	0	109.6	N39 V40 P404 K405 L459 T471 V472	N39-I479 WeakPolarHBondContact CA-O 3.2Å; V40-I479 HydrophobicContact CB-CB 4.19Å; V40-I479 HydrophobicContact CB-CG2 4.07Å; V40-I479 HydrophobicContact CG2-CB 4.28Å; V40-I479 HydrophobicContact CG2-CG2 3.69Å; V40-I479 PolarHBondContact N-O 3.06Å; P404-I479 HydrophobicContact CB-CD1 4.11Å; P404-I479 HydrophobicContact CG-CD1 4.35Å; P404-I479 HydrophobicContact CG-CG1 4.29Å; K405-I479 HydrophobicContact CG-CD1 3.96Å; L459-I479 HydrophobicContact CD1-CD1 4.08Å; L459-I479 HydrophobicContact CD1-CG1 4.31Å; L459-I479 HydrophobicContact CD1-CG2 4.01Å; T471-I479 HydrophobicContact CG2-CG2 3.5Å; T471-I479 VanDerWaalsContact CG2-CG2 3.5Å; V472-I479 CarbonylContact O-C 3.55Å; V472-I479 WeakPolarHBondContact O-CA 3.41Å
480	Q	93.4	Very high	91.1	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.6	-177.7	-67.1	-65.2	-34.8	0	0	111.3	S37 T471 V472 T474 C477 F482	S37-Q480 VanDerWaalsContact CB-OE1 3.28Å; S37-Q480 PolarHBondContact OG-OE1 3Å; T471-Q480 CarbonylContact C-O 3.55Å; T471-Q480 WeakPolarHBondContact CA-O 3.42Å; V472-Q480 PolarHBondContact N-O 2.81Å; V472-Q480 PolarHBondContact O-N 2.66Å; T474-Q480 HydrophobicContact CG2-CB 4.12Å; T474-Q480 HydrophobicContact CG2-CG 3.81Å; C477-Q480 PolarHBondContact O-NE2 3.14Å; Q480-F482 HydrophobicContact CB-CD1 4.35Å; Q480-F482 HydrophobicContact CB-CE1 4.5Å
481	R	94.9	Very high	90.9	Very high	121 Å²	121	40.3 Å²	40.3	46%	0.457	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.4	173.1	-175.1	177.9	-68.1	159.7	3.8	110.4	S37 M38 V40 C470 T471	S37-R481 CarbonylContact C-O 3.6Å; S37-R481 VanDerWaalsContact CA-O 3.31Å; S37-R481 WeakPolarHBondContact CA-O 3.43Å; M38-R481 PolarHBondContact N-O 2.87Å; M38-R481 PolarHBondContact O-N 2.94Å; V40-R481 HydrophobicContact CG2-CB 4.1Å; C470-R481 VanDerWaalsContact O-CA 3.31Å; C470-R481 WeakPolarHBondContact O-CA 3.4Å; T471-R481 PolarHBondContact OG1-NE 2.97Å
482	F	94.9	Very high	90.7	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	160.9	-179.7	55.4	-89.5	0	0	0	111.6	V35 I48 L50 C470 V472 Q480 I484 F506	V35-F482 HydrophobicContact CG2-CB 3.93Å; V35-F482 HydrophobicContact CG2-CD2 3.82Å; V35-F482 HydrophobicContact CG2-CG 4.06Å; I48-F482 HydrophobicContact CD1-CB 4.16Å; I48-F482 HydrophobicContact CD1-CD1 3.34Å; I48-F482 HydrophobicContact CD1-CD2 4.07Å; I48-F482 HydrophobicContact CD1-CE1 3.56Å; I48-F482 HydrophobicContact CD1-CE2 4.24Å; I48-F482 HydrophobicContact CD1-CG 3.61Å; I48-F482 HydrophobicContact CD1-CZ 4Å; L50-F482 HydrophobicContact CD1-CD2 4.35Å; L50-F482 HydrophobicContact CD1-CE2 3.89Å; L50-F482 HydrophobicContact CD2-CE2 4.01Å; L50-F482 HydrophobicContact CD2-CZ 4.15Å; C470-F482 HydrophobicContact CB-CD2 4.46Å; C470-F482 HydrophobicContact CB-CE2 4.18Å; C470-F482 HydrophobicContact CB-CZ 4.31Å; C470-F482 PolarHBondContact N-O 2.88Å; C470-F482 PolarHBondContact O-N 3.44Å; V472-F482 HydrophobicContact CB-CE1 3.99Å; V472-F482 HydrophobicContact CB-CZ 4.49Å; V472-F482 HydrophobicContact CG2-CE1 3.57Å; V472-F482 HydrophobicContact CG2-CZ 3.71Å; Q480-F482 HydrophobicContact CB-CD1 4.35Å; Q480-F482 HydrophobicContact CB-CE1 4.5Å; F482-I484 HydrophobicContact CD2-CD1 4.47Å; F482-I484 HydrophobicContact CD2-CG1 4.05Å; F482-I484 HydrophobicContact CE2-CD1 3.97Å; F482-I484 HydrophobicContact CE2-CG1 4.04Å; F482-F506 HydrophobicContact CZ-CE2 4.33Å
483	T	94.8	Very high	90.5	Very high	49 Å²	49	47.8 Å²	47.8	30%	0.301	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.7	-178.7	-60.4	0	0	0	0	110.7	H467 V468	H467-T483 HydrophobicContact CB-CG2 3.84Å; V468-T483 WeakPolarHBondContact O-CA 3.5Å
484	I	92.8	Very high	90.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.8	174	-56.5	170.9	0	0	0	107.9	L50 H467 V468 F482 M488 I491 Y492 V495 F506	L50-I484 HydrophobicContact CD1-CD1 3.73Å; L50-I484 HydrophobicContact CD1-CG1 3.78Å; H467-I484 CarbonylContact C-O 3.59Å; H467-I484 WeakPolarHBondContact CA-O 3.43Å; V468-I484 HydrophobicContact CG2-CB 3.72Å; V468-I484 HydrophobicContact CG2-CD1 4.45Å; V468-I484 HydrophobicContact CG2-CG1 4.5Å; V468-I484 HydrophobicContact CG2-CG2 4.4Å; V468-I484 PolarHBondContact N-O 3.19Å; V468-I484 PolarHBondContact O-N 3.45Å; F482-I484 HydrophobicContact CD2-CD1 4.47Å; F482-I484 HydrophobicContact CD2-CG1 4.05Å; F482-I484 HydrophobicContact CE2-CD1 3.97Å; F482-I484 HydrophobicContact CE2-CG1 4.04Å; I484-M488 HydrophobicContact CB-SD 4.16Å; I484-M488 HydrophobicContact CG2-CB 4.12Å; I484-M488 HydrophobicContact CG2-CG 4.49Å; I484-M488 HydrophobicContact CG2-SD 3.65Å; I484-I491 HydrophobicContact CD1-CG2 4.05Å; I484-I491 HydrophobicContact CG2-CG2 4.03Å; I484-Y492 HydrophobicContact CG2-CD2 4.27Å; I484-V495 HydrophobicContact CD1-CB 4.06Å; I484-V495 HydrophobicContact CD1-CG1 4.2Å; I484-V495 HydrophobicContact CD1-CG2 3.36Å; I484-F506 HydrophobicContact CD1-CZ 4.28Å
485	S	91.8	Very high	90.1	Very high	17 Å²	17	48.1 Å²	48.1	12%	0.119	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	157.5	178.1	63.6	0	0	0	0	111.7	H467 S487 M488 Y492	H467-S485 VanDerWaalsContact CD2-CB 3.46Å; H467-S485 WeakPolarHBondContact CD2-CB 3.48Å; S485-S487 PolarHBondContact O-N 3.24Å; S485-S487 VanDerWaalsContact O-N 3.14Å; S485-S487 PolarHBondContact OG-OG 3.09Å; S485-M488 WeakPolarHBondContact O-CB 3.37Å; S485-M488 PolarHBondContact O-N 2.82Å; S485-Y492 WeakPolarHBondContact O-CB 3.38Å
486	K	89.9	Confident	90.1	Very high	151 Å²	151	51.9 Å²	51.9	66%	0.657	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-57.6	-26	176.2	-173.8	-179.4	177	-170.6	0	113.1	G466 M488 G489 Y492	G466-K486 VanDerWaalsContact O-CB 3.27Å; G466-K486 WeakPolarHBondContact O-CB 3.19Å; G466-K486 PolarHBondContact O-N 2.84Å; K486-M488 PolarHBondContact O-N 2.7Å; K486-G489 PolarHBondContact O-N 3.43Å; K486-Y492 HydrophobicContact CB-CD1 4.28Å; K486-Y492 HydrophobicContact CB-CD2 4.49Å; K486-Y492 HydrophobicContact CB-CE1 4.18Å; K486-Y492 HydrophobicContact CB-CE2 4.38Å; K486-Y492 HydrophobicContact CB-CG 4.44Å; K486-Y492 HydrophobicContact CG-CD1 4.22Å; K486-Y492 HydrophobicContact CG-CE1 4.11Å
487	S	88.2	Confident	90.3	Very high	90 Å²	90	49.9 Å²	49.9	63%	0.629	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.5	-15.5	176.3	56.7	0	0	0	0	113.5	S485 G489	S485-S487 PolarHBondContact O-N 3.24Å; S485-S487 VanDerWaalsContact O-N 3.14Å; S485-S487 PolarHBondContact OG-OG 3.09Å; S487-G489 PolarHBondContact O-N 3.33Å
488	M	89	Confident	90.5	Very high	22 Å²	22	49.1 Å²	49.1	11%	0.108	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-80.4	15.4	174.5	-59.6	170.6	-177.7	0	0	113.1	T25 A33 V35 I484 S485 K486 K490 I491	T25-M488 HydrophobicContact CG2-CE 3.92Å; T25-M488 HydrophobicContact CG2-CG 4.16Å; A33-M488 HydrophobicContact CB-CB 4.14Å; A33-M488 HydrophobicContact CB-CG 4.09Å; A33-M488 HydrophobicContact CB-SD 4.13Å; V35-M488 HydrophobicContact CG1-CE 3.37Å; V35-M488 HydrophobicContact CG1-SD 3.67Å; I484-M488 HydrophobicContact CB-SD 4.16Å; I484-M488 HydrophobicContact CG2-CB 4.12Å; I484-M488 HydrophobicContact CG2-CG 4.49Å; I484-M488 HydrophobicContact CG2-SD 3.65Å; S485-M488 WeakPolarHBondContact O-CB 3.37Å; S485-M488 PolarHBondContact O-N 2.82Å; K486-M488 PolarHBondContact O-N 2.7Å; M488-K490 PolarHBondContact O-N 3.33Å; M488-I491 PolarHBondContact O-N 3.23Å; M488-I491 VanDerWaalsContact O-N 3.14Å
489	G	88.1	Confident	90.4	Very high	18 Å²	18	54.3 Å²	54.3	19%	0.186	27%	0.265	C	S	.	.	H	α-helix	trans	52	-118.1	165.1	0	0	0	0	0	114.3	K486 S487 I491 Y492 K493	K486-G489 PolarHBondContact O-N 3.43Å; S487-G489 PolarHBondContact O-N 3.33Å; G489-I491 VanDerWaalsContact C-N 3.33Å; G489-I491 PolarHBondContact O-N 3.41Å; G489-Y492 PolarHBondContact O-N 2.81Å; G489-K493 PolarHBondContact O-N 2.86Å; G489-K493 VanDerWaalsContact O-N 3.17Å
490	K	88.6	Confident	90.3	Very high	98 Å²	98	58 Å²	58	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-51.8	-45	-179.4	-162.1	-177	-168.9	-164.4	0	113.5	D29 D52 M488 Y492 K493 L494	D29-K490 PolarHBondContact OD1-N 2.98Å; D52-K490 WeakPolarHBondContact OD2-CD 3.42Å; D52-K490 WeakPolarHBondContact OD2-CE 3.46Å; D52-K490 IonicContact OD2-NZ 2.66Å; D52-K490 PolarHBondContact OD2-NZ 3.17Å; M488-K490 PolarHBondContact O-N 3.33Å; K490-Y492 PolarHBondContact O-N 3.3Å; K490-K493 PolarHBondContact O-N 3.32Å; K490-L494 HydrophobicContact CG-CD1 4.4Å; K490-L494 WeakPolarHBondContact O-CG 3.45Å; K490-L494 PolarHBondContact O-N 2.97Å
491	I	89.5	Confident	90.1	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-48.3	-178.9	-65.2	-64.7	0	0	0	110.6	A33 L50 D52 I484 M488 G489 K493 L494 V495 F506	A33-I491 HydrophobicContact CB-CB 4.5Å; A33-I491 HydrophobicContact CB-CG1 4.18Å; L50-I491 HydrophobicContact CB-CG2 4.33Å; L50-I491 HydrophobicContact CD1-CG2 3.94Å; D52-I491 HydrophobicContact CB-CD1 4.07Å; I484-I491 HydrophobicContact CD1-CG2 4.05Å; I484-I491 HydrophobicContact CG2-CG2 4.03Å; M488-I491 PolarHBondContact O-N 3.23Å; M488-I491 VanDerWaalsContact O-N 3.14Å; G489-I491 VanDerWaalsContact C-N 3.33Å; G489-I491 PolarHBondContact O-N 3.41Å; I491-K493 VanDerWaalsContact C-N 3.32Å; I491-K493 PolarHBondContact O-N 3.03Å; I491-L494 WeakPolarHBondContact O-CB 3.31Å; I491-L494 PolarHBondContact O-N 3.32Å; I491-L494 VanDerWaalsContact O-N 3.1Å; I491-V495 HydrophobicContact CG2-CG2 4.31Å; I491-V495 WeakPolarHBondContact O-CG2 3.31Å; I491-V495 PolarHBondContact O-N 3.12Å; I491-F506 HydrophobicContact CD1-CB 4.34Å
492	Y	91	Very high	89.8	Confident	23 Å²	23	53.5 Å²	53.5	9%	0.09	27%	0.267	C	S	.	.	H	α-helix	trans	-56.9	-45	176.5	176.3	-95	0	0	0	112.3	G466 V468 I484 S485 K486 G489 K490 L494 V495 K496	G466-Y492 VanDerWaalsContact O-CE2 3.28Å; G466-Y492 WeakPolarHBondContact O-CE2 3Å; V468-Y492 HydrophobicContact CG1-CE2 3.86Å; V468-Y492 HydrophobicContact CG2-CD2 4.16Å; V468-Y492 HydrophobicContact CG2-CE2 4.28Å; I484-Y492 HydrophobicContact CG2-CD2 4.27Å; S485-Y492 WeakPolarHBondContact O-CB 3.38Å; K486-Y492 HydrophobicContact CB-CD1 4.28Å; K486-Y492 HydrophobicContact CB-CD2 4.49Å; K486-Y492 HydrophobicContact CB-CE1 4.18Å; K486-Y492 HydrophobicContact CB-CE2 4.38Å; K486-Y492 HydrophobicContact CB-CG 4.44Å; K486-Y492 HydrophobicContact CG-CD1 4.22Å; K486-Y492 HydrophobicContact CG-CE1 4.11Å; G489-Y492 PolarHBondContact O-N 2.81Å; K490-Y492 PolarHBondContact O-N 3.3Å; Y492-L494 VanDerWaalsContact C-N 3.3Å; Y492-L494 PolarHBondContact O-N 3.44Å; Y492-V495 PolarHBondContact O-N 2.97Å; Y492-K496 HydrophobicContact CE1-CD 3.86Å; Y492-K496 VanDerWaalsContact O-CB 3.3Å; Y492-K496 WeakPolarHBondContact O-CB 3.34Å; Y492-K496 PolarHBondContact O-N 3.3Å
493	K	89.6	Confident	89.6	Confident	148 Å²	148	54.9 Å²	54.9	64%	0.643	28%	0.275	S	S	*	.	H	α-helix	trans	-63.2	-35.6	178	-68.2	173.5	-176.1	169.3	0	112.1	G489 K490 I491	G489-K493 PolarHBondContact O-N 2.86Å; G489-K493 VanDerWaalsContact O-N 3.17Å; K490-K493 PolarHBondContact O-N 3.32Å; I491-K493 VanDerWaalsContact C-N 3.32Å; I491-K493 PolarHBondContact O-N 3.03Å
494	L	88.7	Confident	89.3	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.12	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-46	177.1	-73.1	172.5	0	0	0	111.6	D52 K490 I491 Y492 V498 P505	D52-L494 HydrophobicContact CB-CD1 4.04Å; K490-L494 HydrophobicContact CG-CD1 4.4Å; K490-L494 WeakPolarHBondContact O-CG 3.45Å; K490-L494 PolarHBondContact O-N 2.97Å; I491-L494 WeakPolarHBondContact O-CB 3.31Å; I491-L494 PolarHBondContact O-N 3.32Å; I491-L494 VanDerWaalsContact O-N 3.1Å; Y492-L494 VanDerWaalsContact C-N 3.3Å; Y492-L494 PolarHBondContact O-N 3.44Å; L494-V498 VanDerWaalsContact O-CG2 3.26Å; L494-V498 WeakPolarHBondContact O-CG2 3.48Å; L494-P505 HydrophobicContact CB-CG 3.98Å
495	V	90	Very high	89	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-79.7	-35.7	-173.3	-166.1	0	0	0	0	113	L461 V468 I484 I491 Y492 N497 V498 L504 F506	L461-V495 HydrophobicContact CD1-CG1 4.2Å; V468-V495 HydrophobicContact CG2-CB 4.41Å; V468-V495 HydrophobicContact CG2-CG1 4.41Å; I484-V495 HydrophobicContact CD1-CB 4.06Å; I484-V495 HydrophobicContact CD1-CG1 4.2Å; I484-V495 HydrophobicContact CD1-CG2 3.36Å; I491-V495 HydrophobicContact CG2-CG2 4.31Å; I491-V495 WeakPolarHBondContact O-CG2 3.31Å; I491-V495 PolarHBondContact O-N 3.12Å; Y492-V495 PolarHBondContact O-N 2.97Å; V495-N497 PolarHBondContact O-N 3.49Å; V495-V498 WeakPolarHBondContact O-CB 3.29Å; V495-V498 PolarHBondContact O-N 3.19Å; V495-L504 HydrophobicContact CG1-CD2 4.4Å; V495-F506 HydrophobicContact CB-CE1 4.25Å; V495-F506 HydrophobicContact CG1-CE1 4.33Å; V495-F506 HydrophobicContact CG2-CD1 3.9Å; V495-F506 HydrophobicContact CG2-CE1 3.12Å; V495-F506 HydrophobicContact CG2-CZ 3.74Å
496	K	89.5	Confident	88.7	Confident	89 Å²	89	53.3 Å²	53.3	39%	0.387	27%	0.265	S	S	.	.	H	α-helix	trans	-50.6	-35.5	-169.9	-179.2	-177.3	177.4	-177.6	0	113.7	R463 Y492	R463-K496 VanDerWaalsContact CZ-O 3.31Å; R463-K496 PolarHBondContact NE-O 3.04Å; R463-K496 PolarHBondContact NH2-O 3.16Å; Y492-K496 HydrophobicContact CE1-CD 3.86Å; Y492-K496 VanDerWaalsContact O-CB 3.3Å; Y492-K496 WeakPolarHBondContact O-CB 3.34Å; Y492-K496 PolarHBondContact O-N 3.3Å
497	N	86.5	Confident	88.6	Confident	127 Å²	127	48.2 Å²	48.2	68%	0.679	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107	6.7	-175.6	-62.5	-29.9	0	0	0	113.8	V495 K499	V495-N497 PolarHBondContact O-N 3.49Å; N497-K499 PolarHBondContact O-N 3.34Å
498	V	88	Confident	88.6	Confident	19 Å²	19	44.8 Å²	44.8	12%	0.115	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-66.4	134.2	174.5	-177.6	0	0	0	0	108.6	L458 L461 L494 V495 R502 P505	L458-V498 HydrophobicContact CD2-CB 3.98Å; L458-V498 HydrophobicContact CD2-CG1 3.72Å; L461-V498 WeakPolarHBondContact CD2-O 3.47Å; L494-V498 VanDerWaalsContact O-CG2 3.26Å; L494-V498 WeakPolarHBondContact O-CG2 3.48Å; V495-V498 WeakPolarHBondContact O-CB 3.29Å; V495-V498 PolarHBondContact O-N 3.19Å; V498-R502 HydrophobicContact CG1-CB 4.21Å; V498-P505 HydrophobicContact CG2-CG 4.11Å
499	K	87.7	Confident	88.6	Confident	128 Å²	128	48.2 Å²	48.2	56%	0.557	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-76.9	143.8	173.8	-69.7	-173.6	176.3	-176.9	0	109.5	N497 R502	N497-K499 PolarHBondContact O-N 3.34Å; K499-R502 HydrophobicContact CB-CG 4.12Å; K499-R502 WeakPolarHBondContact O-CB 3.4Å; K499-R502 PolarHBondContact O-N 2.93Å
500	I	89.8	Confident	88.5	Confident	85 Å²	85	48.9 Å²	48.9	44%	0.436	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	141	173.8	-65.2	171.3	0	0	0	109.2	L459 L461	L459-I500 VanDerWaalsContact O-CG2 3.22Å; L459-I500 WeakPolarHBondContact O-CG2 3.38Å; L461-I500 HydrophobicContact CB-CG1 4.34Å
501	G	88.5	Confident	88.2	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.01	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	0.9	179.9	0	0	0	0	0	115.7	F416 R457 L458	F416-G501 VanDerWaalsContact CE1-CA 3.46Å; R457-G501 WeakPolarHBondContact CD-O 3.4Å; R457-G501 PolarHBondContact NH1-O 2.93Å; L458-G501 VanDerWaalsContact O-CA 3.3Å; L458-G501 WeakPolarHBondContact O-CA 3.44Å; L458-G501 PolarHBondContact O-N 3.39Å
502	R	89.1	Confident	87.8	Confident	30 Å²	30	46.7 Å²	46.7	11%	0.113	23%	0.228	C	C	.	.	S	Bend	trans	-97.5	159.1	178.2	-58.6	-55.9	-174.5	177.2	4.8	112.2	L60 F189 E193 L458 V498 K499	L60-R502 VanDerWaalsContact CD1-CZ 3.44Å; F189-R502 VanDerWaalsContact CE2-NH2 3.33Å; E193-R502 IonicContact OE1-NH1 3.6Å; E193-R502 PolarHBondContact OE1-NH1 3.29Å; L458-R502 PolarHBondContact N-O 3.16Å; V498-R502 HydrophobicContact CG1-CB 4.21Å; K499-R502 HydrophobicContact CB-CG 4.12Å; K499-R502 WeakPolarHBondContact O-CB 3.4Å; K499-R502 PolarHBondContact O-N 2.93Å
503	V	89.8	Confident	87.1	Confident	32 Å²	32	45.9 Å²	45.9	19%	0.194	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-59.9	138.9	170.8	-177.5	0	0	0	0	109.5	E455 S456	E455-V503 HydrophobicContact CB-CG1 3.88Å; E455-V503 HydrophobicContact CG-CG1 4.05Å; E455-V503 WeakPolarHBondContact OE2-CG2 3.49Å; S456-V503 WeakPolarHBondContact O-CA 3.14Å
504	L	89.2	Confident	86.5	Confident	7 Å²	7	41.6 Å²	41.6	4%	0.037	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-72.4	135	172.5	-70.8	173.1	0	0	0	110.4	S456 L458 V472 V495 F506 V508	S456-L504 PolarHBondContact O-N 3.28Å; L458-L504 HydrophobicContact CB-CD2 3.84Å; L458-L504 HydrophobicContact CB-CG 4.29Å; L458-L504 HydrophobicContact CD1-CD2 4.23Å; L458-L504 HydrophobicContact CD2-CD2 4.37Å; L458-L504 HydrophobicContact CG-CD2 4.37Å; V472-L504 HydrophobicContact CB-CD1 4.2Å; V472-L504 HydrophobicContact CG1-CD1 3.42Å; V472-L504 VanDerWaalsContact CG1-CD1 3.42Å; V472-L504 HydrophobicContact CG2-CD1 3.66Å; V495-L504 HydrophobicContact CG1-CD2 4.4Å; L504-F506 HydrophobicContact CB-CD1 4.23Å; L504-F506 HydrophobicContact CB-CE1 3.83Å; L504-F506 HydrophobicContact CB-CE2 4.24Å; L504-F506 HydrophobicContact CB-CZ 3.9Å; L504-F506 HydrophobicContact CD1-CE1 4.33Å; L504-F506 HydrophobicContact CD1-CE2 3.85Å; L504-F506 HydrophobicContact CD1-CZ 3.6Å; L504-F506 HydrophobicContact CD2-CE1 3.74Å; L504-F506 HydrophobicContact CD2-CZ 3.69Å; L504-F506 HydrophobicContact CG-CE1 4.17Å; L504-F506 HydrophobicContact CG-CE2 4.48Å; L504-F506 HydrophobicContact CG-CZ 3.93Å; L504-F506 PolarHBondContact O-N 3.45Å; L504-V508 HydrophobicContact CD1-CG2 4.4Å
505	P	85.6	Confident	85.6	Confident	23 Å²	23	41.4 Å²	41.4	15%	0.149	21%	0.211	C	C	.	.	S	Bend	trans	-76.9	21.3	-178.6	33.7	-37.6	0	0	0	113.5	L494 V498	L494-P505 HydrophobicContact CB-CG 3.98Å; V498-P505 HydrophobicContact CG2-CG 4.11Å
506	F	86	Confident	84.4	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.9	-179.4	54.4	-88.4	0	0	0	109.3	L50 K51 F482 I484 I491 V495 L504 V508	L50-F506 HydrophobicContact CB-CD2 4.05Å; L50-F506 HydrophobicContact CB-CE2 4.42Å; L50-F506 HydrophobicContact CD1-CE2 4.23Å; L50-F506 HydrophobicContact CD2-CD2 3.99Å; L50-F506 HydrophobicContact CD2-CE2 3.72Å; L50-F506 HydrophobicContact CG-CD2 4.45Å; L50-F506 HydrophobicContact CG-CE2 4.35Å; K51-F506 CarbonylContact O-C 3.58Å; K51-F506 VanDerWaalsContact O-CA 3.23Å; K51-F506 WeakPolarHBondContact O-CA 3.36Å; K51-F506 VanDerWaalsContact O-CB 3.22Å; K51-F506 WeakPolarHBondContact O-CB 3.45Å; F482-F506 HydrophobicContact CZ-CE2 4.33Å; I484-F506 HydrophobicContact CD1-CZ 4.28Å; I491-F506 HydrophobicContact CD1-CB 4.34Å; V495-F506 HydrophobicContact CB-CE1 4.25Å; V495-F506 HydrophobicContact CG1-CE1 4.33Å; V495-F506 HydrophobicContact CG2-CD1 3.9Å; V495-F506 HydrophobicContact CG2-CE1 3.12Å; V495-F506 HydrophobicContact CG2-CZ 3.74Å; L504-F506 HydrophobicContact CB-CD1 4.23Å; L504-F506 HydrophobicContact CB-CE1 3.83Å; L504-F506 HydrophobicContact CB-CE2 4.24Å; L504-F506 HydrophobicContact CB-CZ 3.9Å; L504-F506 HydrophobicContact CD1-CE1 4.33Å; L504-F506 HydrophobicContact CD1-CE2 3.85Å; L504-F506 HydrophobicContact CD1-CZ 3.6Å; L504-F506 HydrophobicContact CD2-CE1 3.74Å; L504-F506 HydrophobicContact CD2-CZ 3.69Å; L504-F506 HydrophobicContact CG-CE1 4.17Å; L504-F506 HydrophobicContact CG-CE2 4.48Å; L504-F506 HydrophobicContact CG-CZ 3.93Å; L504-F506 PolarHBondContact O-N 3.45Å; F506-V508 HydrophobicContact CD2-CG2 4Å; F506-V508 HydrophobicContact CE2-CG2 3.75Å
507	E	88	Confident	82.9	Confident	43 Å²	43	54.8 Å²	54.8	20%	0.201	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	141.1	173.3	-178.4	-179.5	-165.2	0	0	110.1	L50 K51 V53	L50-E507 WeakPolarHBondContact CA-O 3.19Å; K51-E507 HydrophobicContact CB-CB 4.43Å; K51-E507 PolarHBondContact N-O 2.98Å; K51-E507 PolarHBondContact O-N 3.36Å; V53-E507 HydrophobicContact CG1-CB 3.72Å
508	V	89.4	Confident	81.5	Confident	18 Å²	18	51.3 Å²	51.3	11%	0.109	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	104.7	174.5	-179.5	0	0	0	0	107.9	I48 L50 L504 F506	I48-V508 HydrophobicContact CB-CG1 4.23Å; I48-V508 HydrophobicContact CD1-CG1 3.94Å; I48-V508 HydrophobicContact CG2-CG1 4.46Å; L50-V508 HydrophobicContact CD2-CG1 4.46Å; L50-V508 HydrophobicContact CD2-CG2 4.06Å; L504-V508 HydrophobicContact CD1-CG2 4.4Å; F506-V508 HydrophobicContact CD2-CG2 4Å; F506-V508 HydrophobicContact CE2-CG2 3.75Å
509	K	87.4	Confident	79.6	Confident	95 Å²	95	57.2 Å²	57.2	41%	0.413	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.4	176.9	-173.4	175.2	-179.4	178.4	0	110	I48 Q49 M511	I48-K509 CarbonylContact C-O 3.47Å; I48-K509 VanDerWaalsContact CA-O 3.28Å; I48-K509 WeakPolarHBondContact CA-O 3.5Å; Q49-K509 PolarHBondContact N-O 2.89Å; Q49-K509 PolarHBondContact O-N 3.07Å; K509-M511 HydrophobicContact CD-SD 4.11Å; K509-M511 HydrophobicContact CG-SD 4.15Å
510	V	86	Confident	77.8	Confident	32 Å²	32	53.5 Å²	53.5	19%	0.194	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.3	172.2	-175.6	0	0	0	0	108.9	I48 C477 Y520	I48-V510 HydrophobicContact CG2-CG2 4Å; C477-V510 HydrophobicContact CB-CG2 3.95Å; C477-V510 WeakPolarHBondContact SG-CG2 3.46Å; V510-Y520 WeakPolarHBondContact CG1-OH 3.48Å
511	M	83.5	Confident	75.6	Confident	40 Å²	40	57.6 Å²	57.6	20%	0.197	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-20.2	-178.6	-59.1	-60.2	-71.2	0	0	112.3	I47 Q49 K509 C527	I47-M511 HydrophobicContact CG2-CB 4.35Å; I47-M511 PolarHBondContact O-N 2.61Å; Q49-M511 HydrophobicContact CB-CG 3.66Å; Q49-M511 HydrophobicContact CB-SD 3.89Å; K509-M511 HydrophobicContact CD-SD 4.11Å; K509-M511 HydrophobicContact CG-SD 4.15Å; M511-C527 WeakPolarHBondContact CE-SG 3.45Å
512	G	79.8	Confident	73.6	Confident	13 Å²	13	65.3 Å²	65.3	13%	0.134	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.1	153.1	175.8	0	0	0	0	0	110.4	S46 I47	S46-G512 CarbonylContact C-O 3.57Å; S46-G512 VanDerWaalsContact CA-O 3.22Å; S46-G512 WeakPolarHBondContact CA-O 3.36Å; S46-G512 WeakPolarHBondContact CB-O 3.48Å; I47-G512 PolarHBondContact N-O 3.32Å; I47-G512 PolarHBondContact O-N 3Å
513	S	77.7	Confident	71.3	Confident	6 Å²	6	66.4 Å²	66.4	4%	0.042	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	153.8	-177.2	172.7	0	0	0	0	110.5	F8 K45 S46 S515 D518 Y520	F8-S513 WeakPolarHBondContact CE1-O 3.39Å; K45-S513 WeakPolarHBondContact O-CA 3.23Å; S46-S513 VanDerWaalsContact OG-CB 3.26Å; S46-S513 WeakPolarHBondContact OG-CB 3.32Å; S46-S513 PolarHBondContact OG-OG 3.38Å; S513-S515 WeakPolarHBondContact OG-CB 3.47Å; S513-S515 PolarHBondContact OG-N 3.36Å; S513-D518 WeakPolarHBondContact CB-OD2 3.3Å; S513-D518 PolarHBondContact OG-OD2 2.6Å; S513-Y520 WeakPolarHBondContact CB-OH 3.32Å
514	D	76.8	Confident	69	Low	59 Å²	59	67.1 Å²	67.1	32%	0.316	35%	0.345	S	S	.	.	S	Bend	trans	-81.1	-1.7	174.6	-64.8	-16.6	0	0	0	112.3	F8 K45	F8-D514 WeakPolarHBondContact CD1-OD1 3.06Å; F8-D514 WeakPolarHBondContact CE1-OD1 3.49Å; K45-D514 PolarHBondContact O-N 3.28Å
515	S	70.2	Confident	67	Low	19 Å²	19	73.6 Å²	73.6	13%	0.133	37%	0.373	C	S	.	.			trans	-69	129.6	179.4	-178.2	0	0	0	0	111.5	S513 F517 D518	S513-S515 WeakPolarHBondContact OG-CB 3.47Å; S513-S515 PolarHBondContact OG-N 3.36Å; S515-F517 PolarHBondContact O-N 2.78Å; S515-F517 PolarHBondContact OG-N 3.32Å; S515-D518 VanDerWaalsContact CB-OD2 3.29Å; S515-D518 WeakPolarHBondContact CB-OD2 3.42Å
516	E	63.5	Low	65.2	Low	191 Å²	191	78.5 Å²	78.5	89%	0.893	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.3	172.4	-63.5	-177.7	170.7	0	0	112.8
517	F	59.5	Low	63	Low	179 Å²	179	79.4 Å²	79.4	79%	0.785	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-10.1	-175.1	-64.8	-78	0	0	0	114.6	S515 V519	S515-F517 PolarHBondContact O-N 2.78Å; S515-F517 PolarHBondContact OG-N 3.32Å; F517-V519 PolarHBondContact O-N 3.22Å
518	D	55.8	Low	61	Low	54 Å²	54	84 Å²	84	29%	0.289	42%	0.416	S	S	.	.	S	Bend	trans	-82.7	120	-177.6	-70.1	-21.4	0	0	0	109.3	S513 S515 Y520	S513-D518 WeakPolarHBondContact CB-OD2 3.3Å; S513-D518 PolarHBondContact OG-OD2 2.6Å; S515-D518 VanDerWaalsContact CB-OD2 3.29Å; S515-D518 WeakPolarHBondContact CB-OD2 3.42Å; D518-Y520 VanDerWaalsContact C-N 3.29Å; D518-Y520 HydrophobicContact CB-CD2 3.27Å; D518-Y520 HydrophobicContact CB-CE1 4.17Å; D518-Y520 HydrophobicContact CB-CE2 2.85Å; D518-Y520 HydrophobicContact CB-CG 4.08Å; D518-Y520 VanDerWaalsContact CG-CE2 3.42Å; D518-Y520 WeakPolarHBondContact O-CD2 3.38Å; D518-Y520 PolarHBondContact O-N 3.33Å; D518-Y520 WeakPolarHBondContact OD2-CE2 3.37Å; D518-Y520 PolarHBondContact OD2-OH 3.15Å
519	V	49.4	Very low	59.4	Low	143 Å²	143	88.4 Å²	88.4	87%	0.867	44%	0.435	S	S	*	.			trans	-71.2	82.9	178.8	-168.3	0	0	0	0	109.1	F517	F517-V519 PolarHBondContact O-N 3.22Å
520	Y	48.7	Very low	57.4	Low	50 Å²	50	88.8 Å²	88.8	20%	0.196	44%	0.439	C	S	.	.			trans	-96.7	-3.9	-167.1	-86.1	-54.3	0	0	0	116.9	V510 S513 D518 E522 V524	V510-Y520 WeakPolarHBondContact CG1-OH 3.48Å; S513-Y520 WeakPolarHBondContact CB-OH 3.32Å; D518-Y520 VanDerWaalsContact C-N 3.29Å; D518-Y520 HydrophobicContact CB-CD2 3.27Å; D518-Y520 HydrophobicContact CB-CE1 4.17Å; D518-Y520 HydrophobicContact CB-CE2 2.85Å; D518-Y520 HydrophobicContact CB-CG 4.08Å; D518-Y520 VanDerWaalsContact CG-CE2 3.42Å; D518-Y520 WeakPolarHBondContact O-CD2 3.38Å; D518-Y520 PolarHBondContact O-N 3.33Å; D518-Y520 WeakPolarHBondContact OD2-CE2 3.37Å; D518-Y520 PolarHBondContact OD2-OH 3.15Å; Y520-E522 VanDerWaalsContact C-N 3.27Å; Y520-E522 PolarHBondContact O-N 2.91Å; Y520-V524 HydrophobicContact CD1-CG2 4.38Å; Y520-V524 HydrophobicContact CG-CG2 4.44Å; Y520-V524 WeakPolarHBondContact O-CB 3.41Å; Y520-V524 VanDerWaalsContact O-CG2 3.24Å; Y520-V524 WeakPolarHBondContact O-CG2 3.37Å; Y520-V524 PolarHBondContact O-N 3.49Å; Y520-V524 VanDerWaalsContact O-N 3.16Å
521	E	44.3	Very low	55.7	Low	170 Å²	170	93.2 Å²	93.2	79%	0.794	46%	0.455	S	S	*	.	H	α-helix	trans	-63.8	-32.2	-170.6	-73.2	-157.1	149.2	0	0	113.6
522	E	45.2	Very low	54.3	Low	164 Å²	164	94.8 Å²	94.8	77%	0.766	48%	0.475	S	S	*	.	H	α-helix	trans	-84.5	-47.1	-178.8	-67	178.7	168.4	0	0	112.9	Y520 V524 K525 E526	Y520-E522 VanDerWaalsContact C-N 3.27Å; Y520-E522 PolarHBondContact O-N 2.91Å; E522-V524 VanDerWaalsContact C-N 3.29Å; E522-V524 PolarHBondContact O-N 2.95Å; E522-K525 WeakPolarHBondContact O-CB 3.46Å; E522-K525 PolarHBondContact O-N 3.32Å; E522-K525 VanDerWaalsContact O-N 3.07Å; E522-E526 PolarHBondContact O-N 3.11Å; E522-E526 VanDerWaalsContact O-N 3.09Å
523	A	42.4	Very low	53.4	Low	52 Å²	52	101.9 Å²	101.9	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-32.2	-179.8	0	0	0	0	0	113	C527	A523-C527 WeakPolarHBondContact O-CB 3.23Å; A523-C527 PolarHBondContact O-N 3.44Å
524	V	41.6	Very low	51.9	Low	48 Å²	48	107.7 Å²	107.7	29%	0.291	53%	0.532	S	S	.	.	H	α-helix	trans	-72.3	-33.1	175.2	175	0	0	0	0	111.4	Y520 E522 R528	Y520-V524 HydrophobicContact CD1-CG2 4.38Å; Y520-V524 HydrophobicContact CG-CG2 4.44Å; Y520-V524 WeakPolarHBondContact O-CB 3.41Å; Y520-V524 VanDerWaalsContact O-CG2 3.24Å; Y520-V524 WeakPolarHBondContact O-CG2 3.37Å; Y520-V524 PolarHBondContact O-N 3.49Å; Y520-V524 VanDerWaalsContact O-N 3.16Å; E522-V524 VanDerWaalsContact C-N 3.29Å; E522-V524 PolarHBondContact O-N 2.95Å; V524-R528 HydrophobicContact CG1-CG 4.47Å; V524-R528 WeakPolarHBondContact O-CB 3.34Å; V524-R528 VanDerWaalsContact O-CG 3.23Å; V524-R528 WeakPolarHBondContact O-CG 3.48Å; V524-R528 PolarHBondContact O-N 2.95Å
525	K	46.4	Very low	50.2	Low	142 Å²	142	107.4 Å²	107.4	62%	0.617	54%	0.539	S	S	*	.	H	α-helix	trans	-64.3	-51.5	172.8	-86.4	178.9	177.2	173.8	0	110.8	E522 C527 R528 E529	E522-K525 WeakPolarHBondContact O-CB 3.46Å; E522-K525 PolarHBondContact O-N 3.32Å; E522-K525 VanDerWaalsContact O-N 3.07Å; K525-C527 VanDerWaalsContact C-N 3.33Å; K525-C527 PolarHBondContact O-N 3.33Å; K525-R528 PolarHBondContact O-N 3.45Å; K525-E529 WeakPolarHBondContact O-CG 2.82Å; K525-E529 PolarHBondContact O-N 3.28Å
526	E	47.1	Very low	48.7	Very low	127 Å²	127	112.2 Å²	112.2	59%	0.593	57%	0.569	S	S	*	*	H	α-helix	trans	-58.5	-43.5	178.4	-73.6	-170.4	157.2	0	0	112.4	E522 R528 E529 E530	E522-E526 PolarHBondContact O-N 3.11Å; E522-E526 VanDerWaalsContact O-N 3.09Å; E526-R528 PolarHBondContact O-N 3.5Å; E526-E529 PolarHBondContact O-N 3.07Å; E526-E530 PolarHBondContact O-N 2.84Å
527	C	40.7	Very low	47.9	Very low	22 Å²	22	115 Å²	115	15%	0.149	57%	0.571	C	S	.	*	H	α-helix	trans	-67.9	-34.9	179.9	-170.9	0	0	0	0	112.7	M511 A523 K525 E529 K531	M511-C527 WeakPolarHBondContact CE-SG 3.45Å; A523-C527 WeakPolarHBondContact O-CB 3.23Å; A523-C527 PolarHBondContact O-N 3.44Å; K525-C527 VanDerWaalsContact C-N 3.33Å; K525-C527 PolarHBondContact O-N 3.33Å; C527-E529 VanDerWaalsContact C-N 3.33Å; C527-K531 WeakPolarHBondContact O-CB 3.24Å; C527-K531 WeakPolarHBondContact O-CG 3.45Å; C527-K531 PolarHBondContact O-N 2.95Å
528	R	46.3	Very low	46.8	Very low	140 Å²	140	118.9 Å²	118.9	53%	0.528	60%	0.595	S	S	.	*	H	α-helix	trans	-65.9	-38.7	173.2	-77.7	175	177.4	-173.3	1	111.2	V524 K525 E526 A532	V524-R528 HydrophobicContact CG1-CG 4.47Å; V524-R528 WeakPolarHBondContact O-CB 3.34Å; V524-R528 VanDerWaalsContact O-CG 3.23Å; V524-R528 WeakPolarHBondContact O-CG 3.48Å; V524-R528 PolarHBondContact O-N 2.95Å; K525-R528 PolarHBondContact O-N 3.45Å; E526-R528 PolarHBondContact O-N 3.5Å; R528-A532 VanDerWaalsContact O-CB 3.27Å; R528-A532 WeakPolarHBondContact O-CB 3.3Å; R528-A532 PolarHBondContact O-N 3.19Å
529	E	54.4	Low	46.4	Very low	110 Å²	110	122.2 Å²	122.2	51%	0.514	61%	0.611	S	S	.	*	H	α-helix	trans	-67.2	-42.7	175.5	-70.1	177	-167.9	0	0	112.3	K525 E526 C527 A532 K533	K525-E529 WeakPolarHBondContact O-CG 2.82Å; K525-E529 PolarHBondContact O-N 3.28Å; E526-E529 PolarHBondContact O-N 3.07Å; C527-E529 VanDerWaalsContact C-N 3.33Å; E529-A532 PolarHBondContact O-N 2.75Å; E529-K533 WeakPolarHBondContact O-CB 3.46Å; E529-K533 VanDerWaalsContact O-CG 3.29Å; E529-K533 WeakPolarHBondContact O-CG 3.44Å; E529-K533 PolarHBondContact O-N 2.65Å
530	E	47.1	Very low	46.2	Very low	104 Å²	104	121.1 Å²	121.1	49%	0.486	60%	0.597	S	S	.	*	H	α-helix	trans	-64.3	-42.3	175.1	-80.5	-162.6	145.1	0	0	112.6	E526 A532 K533 N534	E526-E530 PolarHBondContact O-N 2.84Å; E530-A532 VanDerWaalsContact C-N 3.34Å; E530-K533 PolarHBondContact O-N 3.23Å; E530-N534 WeakPolarHBondContact O-CB 3.3Å; E530-N534 PolarHBondContact O-N 2.73Å; E530-N534 PolarHBondContact O-ND2 3.45Å
531	K	49.9	Very low	46.1	Very low	125 Å²	125	125 Å²	125	54%	0.543	62%	0.62	S	S	.	*	H	α-helix	trans	-67.5	-35.3	176	-77	-172.8	177.8	-177.8	0	112.2	C527 N534 A535	C527-K531 WeakPolarHBondContact O-CB 3.24Å; C527-K531 WeakPolarHBondContact O-CG 3.45Å; C527-K531 PolarHBondContact O-N 2.95Å; K531-N534 PolarHBondContact O-N 3.49Å; K531-A535 PolarHBondContact O-N 2.63Å
532	A	54.7	Low	46.2	Very low	73 Å²	73	122.4 Å²	122.4	60%	0.603	61%	0.609	S	S	*	*	H	α-helix	trans	-66.9	-36.8	173.5	0	0	0	0	0	112	R528 E529 E530	R528-A532 VanDerWaalsContact O-CB 3.27Å; R528-A532 WeakPolarHBondContact O-CB 3.3Å; R528-A532 PolarHBondContact O-N 3.19Å; E529-A532 PolarHBondContact O-N 2.75Å; E530-A532 VanDerWaalsContact C-N 3.34Å
533	K	60.4	Low	46.2	Very low	161 Å²	161	119.8 Å²	119.8	70%	0.7	60%	0.599	S	S	*	*	H	α-helix	trans	-69.3	-35.5	175.5	-74.3	171.3	-176.8	171.7	0	113.2	E529 E530	E529-K533 WeakPolarHBondContact O-CB 3.46Å; E529-K533 VanDerWaalsContact O-CG 3.29Å; E529-K533 WeakPolarHBondContact O-CG 3.44Å; E529-K533 PolarHBondContact O-N 2.65Å; E530-K533 PolarHBondContact O-N 3.23Å
534	N	46.7	Very low	46.5	Very low	128 Å²	128	124.3 Å²	124.3	68%	0.684	61%	0.611	S	S	*	*	H	α-helix	trans	-94.5	-1	-177.2	-70	-29.7	0	0	0	114.2	E530 K531	E530-N534 WeakPolarHBondContact O-CB 3.3Å; E530-N534 PolarHBondContact O-N 2.73Å; E530-N534 PolarHBondContact O-ND2 3.45Å; K531-N534 PolarHBondContact O-N 3.49Å
535	A	40.9	Very low	46.8	Very low	54 Å²	54	129.7 Å²	129.7	45%	0.446	63%	0.634	S	S	.	*	S	Bend	trans	-66.1	130.6	171.1	0	0	0	0	0	108.6	K531 R537	K531-A535 PolarHBondContact O-N 2.63Å; A535-R537 PolarHBondContact O-N 2.62Å; A535-R537 VanDerWaalsContact O-N 3.12Å
536	P	37.5	Very low	46.9	Very low	120 Å²	120	128.8 Å²	128.8	78%	0.779	64%	0.635	S	S	*	*			trans	-56.8	123.9	174.3	22.4	-30.3	0	0	0	108.3	M538	P536-M538 PolarHBondContact O-N 3.02Å; P536-M538 VanDerWaalsContact O-N 3.08Å
537	R	46.2	Very low	46.9	Very low	248 Å²	248	128.9 Å²	128.9	94%	0.936	64%	0.638	S	S	*	*			trans	-59.3	114.1	168.8	-72.9	-176.6	176.8	-174.8	-1.5	106.5	A535	A535-R537 PolarHBondContact O-N 2.62Å; A535-R537 VanDerWaalsContact O-N 3.12Å
538	M	37.6	Very low	47.4	Very low	262 Å²	262	138.6 Å²	138.6	100%	1.291	68%	0.683	S	S	*	*			trans	-62.8	0	171.5	-75.9	-170.2	84.1	0	0	110.6	P536	P536-M538 PolarHBondContact O-N 3.02Å; P536-M538 VanDerWaalsContact O-N 3.08Å

Retrieved 538 of 538 residues in 1135.3 ms (Link to these results)

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