G4VS23_SCHMA Loading...

Putative rnase h (70)

AlphaFold DB , UniProt , Accession G4VS23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 785 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	57.1	Low	236 Å²	236	133.1 Å²	133.1	100%	1.163	68%	0.682	S	S	*	*				0	161.1	0	-66.1	121.4	78.2	0	0	108.6
2	F	33.6	Very low	59	Low	195 Å²	195	131.8 Å²	131.8	86%	0.855	68%	0.676	S	S	*	*			trans	-78.3	139.6	160.6	-73.8	-81.8	0	0	0	108.2
3	P	46.8	Very low	60.8	Low	118 Å²	118	122.4 Å²	122.4	77%	0.766	63%	0.629	S	S	*	*			trans	-64.9	137	172.3	28.2	-33.5	0	0	0	109.7	S5	P3-S5 PolarHBondContact O-N 3.42Å
4	T	46.3	Very low	62.1	Low	86 Å²	86	121.9 Å²	121.9	53%	0.528	64%	0.638	S	S	.	*			trans	-84.8	78.6	-170.5	45.6	0	0	0	0	111.7	G6 C26	T4-G6 PolarHBondContact O-N 2.85Å; T4-C26 WeakPolarHBondContact CG2-O 3.43Å
5	S	53.6	Low	63.1	Low	120 Å²	120	116.5 Å²	116.5	84%	0.839	62%	0.618	S	S	*	*			trans	-67.3	83.3	164.6	58.3	0	0	0	0	109.6	P3	P3-S5 PolarHBondContact O-N 3.42Å
6	G	56.8	Low	64.2	Low	12 Å²	12	112 Å²	112	12%	0.124	59%	0.591	C	S	.	*			trans	-135.6	149	-170.9	0	0	0	0	0	113.1	T4 F8 Q9	T4-G6 PolarHBondContact O-N 2.85Å; G6-F8 PolarHBondContact O-N 3.3Å; G6-Q9 PolarHBondContact O-N 3.17Å
7	F	62.9	Low	64.6	Low	202 Å²	202	110.5 Å²	110.5	89%	0.886	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-6	-173.9	-80.7	-94.5	0	0	0	116.8
8	F	65.5	Low	64.6	Low	99 Å²	99	114.9 Å²	114.9	43%	0.434	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.1	27.3	-173.9	-54.5	-67.4	0	0	0	113.5	G6 E10 L11 H27 F28	G6-F8 PolarHBondContact O-N 3.3Å; F8-E10 PolarHBondContact O-N 3.02Å; F8-L11 HydrophobicContact CD1-CD1 4.06Å; F8-L11 PolarHBondContact O-N 3.36Å; F8-H27 CarbonylContact C-O 3.54Å; F8-H27 VanDerWaalsContact C-O 3.3Å; F8-H27 WeakPolarHBondContact CB-O 2.99Å; F8-H27 HydrophobicContact CD2-CB 4.34Å; F8-F28 HydrophobicContact CB-CD1 3.95Å; F8-F28 HydrophobicContact CB-CE1 4.02Å; F8-F28 HydrophobicContact CB-CG 4.37Å; F8-F28 HydrophobicContact CD2-CZ 4.41Å; F8-F28 HydrophobicContact CG-CE1 4.25Å; F8-F28 HydrophobicContact CG-CZ 4.4Å
9	Q	70.1	Confident	65	Low	130 Å²	130	110.5 Å²	110.5	61%	0.607	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-56.5	-22.8	179.1	72.4	-179	9.2	0	0	114.5	G6 N29	G6-Q9 PolarHBondContact O-N 3.17Å; Q9-N29 WeakPolarHBondContact O-CB 3.35Å
10	E	76.1	Confident	65.4	Low	170 Å²	170	110.7 Å²	110.7	79%	0.794	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.4	-11.1	-179.6	-62.9	175.3	-172	0	0	113.2	F8	F8-E10 PolarHBondContact O-N 3.02Å
11	L	77.9	Confident	66.2	Low	96 Å²	96	106.6 Å²	106.6	50%	0.503	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	124.7	-176.4	-61.9	179.8	0	0	0	110.8	F8 F28 N29	F8-L11 HydrophobicContact CD1-CD1 4.06Å; F8-L11 PolarHBondContact O-N 3.36Å; L11-F28 HydrophobicContact CB-CD1 3.81Å; L11-F28 HydrophobicContact CB-CE1 4.16Å; L11-F28 HydrophobicContact CD1-CE1 4.29Å; L11-F28 WeakPolarHBondContact O-CB 3.34Å; L11-N29 PolarHBondContact O-N 3.19Å
12	L	79.8	Confident	68	Low	117 Å²	117	103.2 Å²	103.2	61%	0.613	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-61.3	140.4	172.2	-70.1	169.7	0	0	0	111	P14 N29 F31	L12-P14 WeakPolarHBondContact O-CD 3.24Å; L12-N29 HydrophobicContact CD2-CB 4.38Å; L12-F31 HydrophobicContact CD2-CB 3.95Å
13	C	82.3	Confident	70.1	Confident	10 Å²	10	100.4 Å²	100.4	7%	0.068	54%	0.544	C	S	.	.			trans	-72.2	122.7	179.8	-173.2	0	0	0	0	111.8	A15 F16 C26 F28 N29 H30	C13-A15 PolarHBondContact O-N 2.95Å; C13-A15 VanDerWaalsContact O-N 3.1Å; C13-A15 PolarHBondContact SG-N 3.48Å; C13-A15 VanDerWaalsContact SG-N 3.39Å; C13-F16 HydrophobicContact CB-CB 3.76Å; C13-F16 PolarHBondContact O-N 3.27Å; C13-C26 PolarHBondContact SG-SG 3.45Å; C13-F28 HydrophobicContact CB-CB 3.61Å; C13-F28 HydrophobicContact CB-CG 4.44Å; C13-N29 WeakPolarHBondContact CB-O 3.49Å; C13-N29 PolarHBondContact N-O 3.47Å; C13-H30 VanDerWaalsContact CB-CD2 3.44Å; C13-H30 WeakPolarHBondContact CB-CD2 3.49Å
14	P	79.6	Confident	71	Confident	115 Å²	115	100.1 Å²	100.1	75%	0.747	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	3.2	175.8	32.6	-37.2	0	0	0	113.7	L12	L12-P14 WeakPolarHBondContact O-CD 3.24Å
15	A	76.4	Confident	72.2	Confident	41 Å²	41	105.4 Å²	105.4	34%	0.339	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123	24.6	176	0	0	0	0	0	111.6	C13 C21	C13-A15 PolarHBondContact O-N 2.95Å; C13-A15 VanDerWaalsContact O-N 3.1Å; C13-A15 PolarHBondContact SG-N 3.48Å; C13-A15 VanDerWaalsContact SG-N 3.39Å; A15-C21 WeakPolarHBondContact O-CA 3.27Å; A15-C21 WeakPolarHBondContact O-CB 3.18Å; A15-C21 PolarHBondContact O-SG 2.85Å
16	F	80.6	Confident	73.2	Confident	45 Å²	45	100.2 Å²	100.2	20%	0.197	52%	0.518	C	S	.	.			trans	-108.9	117.8	173.5	179.1	-101.9	0	0	0	109.2	C13 N20 C21 H30 D32	C13-F16 HydrophobicContact CB-CB 3.76Å; C13-F16 PolarHBondContact O-N 3.27Å; F16-N20 WeakPolarHBondContact CA-O 3.39Å; F16-C21 HydrophobicContact CB-CB 4.38Å; F16-C21 HydrophobicContact CD2-CB 4.16Å; F16-H30 HydrophobicContact CD2-CB 3.79Å; F16-H30 AromaticContact CD2-CD2 3.68Å; F16-H30 AromaticContact CD2-CG 3.65Å; F16-H30 HydrophobicContact CE2-CB 3.69Å; F16-H30 HydrophobicContact CG-CB 4.31Å; F16-H30 AromaticContact CG-CD2 3.91Å; F16-H30 HydrophobicContact CZ-CB 4.12Å; F16-D32 HydrophobicContact CZ-CB 4.44Å; F16-D32 VanDerWaalsContact CZ-CG 3.5Å; F16-D32 WeakPolarHBondContact CZ-OD1 3.47Å; F16-D32 WeakPolarHBondContact CZ-OD2 3.43Å
17	S	71.6	Confident	74.2	Confident	86 Å²	86	104 Å²	104	60%	0.601	53%	0.532	S	S	*	.	B	Isolated β-bridge	trans	-150.8	136.8	-177.3	54.2	0	0	0	0	109.4	G19 N20	S17-G19 VanDerWaalsContact C-N 3.31Å; S17-G19 PolarHBondContact O-N 3.19Å; S17-N20 PolarHBondContact N-O 2.83Å; S17-N20 PolarHBondContact O-N 3.4Å; S17-N20 VanDerWaalsContact O-N 3.16Å
18	E	64.8	Low	74.9	Confident	190 Å²	190	96.8 Å²	96.8	89%	0.888	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	48.4	179.1	-57.6	-177	179.1	0	0	112.5	N20	E18-N20 PolarHBondContact O-N 2.8Å; E18-N20 VanDerWaalsContact O-N 3.15Å; E18-N20 PolarHBondContact O-ND2 3.02Å
19	G	71.5	Confident	75.4	Confident	32 Å²	32	95.2 Å²	95.2	33%	0.33	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	5	178.4	0	0	0	0	0	116.6	S17 D32	S17-G19 VanDerWaalsContact C-N 3.31Å; S17-G19 PolarHBondContact O-N 3.19Å; G19-D32 WeakPolarHBondContact CA-OD1 3.45Å; G19-D32 VanDerWaalsContact CA-OD2 3.29Å; G19-D32 WeakPolarHBondContact CA-OD2 3.15Å; G19-D32 PolarHBondContact N-OD1 2.79Å
20	N	74	Confident	75.9	Confident	114 Å²	114	92.6 Å²	92.6	61%	0.61	48%	0.484	S	S	*	.	B	Isolated β-bridge	trans	-124.6	149.1	-177.6	-74.1	-79.2	0	0	0	113.1	F16 S17 E18	F16-N20 WeakPolarHBondContact CA-O 3.39Å; S17-N20 PolarHBondContact N-O 2.83Å; S17-N20 PolarHBondContact O-N 3.4Å; S17-N20 VanDerWaalsContact O-N 3.16Å; E18-N20 PolarHBondContact O-N 2.8Å; E18-N20 VanDerWaalsContact O-N 3.15Å; E18-N20 PolarHBondContact O-ND2 3.02Å
21	C	82.3	Confident	75.7	Confident	25 Å²	25	90.9 Å²	90.9	17%	0.169	47%	0.474	C	S	.	.			trans	-142.6	120.7	166.3	-179.6	0	0	0	0	109.2	A15 F16 R23 H30	A15-C21 WeakPolarHBondContact O-CA 3.27Å; A15-C21 WeakPolarHBondContact O-CB 3.18Å; A15-C21 PolarHBondContact O-SG 2.85Å; F16-C21 HydrophobicContact CB-CB 4.38Å; F16-C21 HydrophobicContact CD2-CB 4.16Å; C21-R23 PolarHBondContact O-N 3.41Å; C21-H30 VanDerWaalsContact CB-CE1 3.48Å; C21-H30 WeakPolarHBondContact CB-CE1 3.4Å; C21-H30 WeakPolarHBondContact CB-NE2 3.42Å
22	D	76	Confident	75	Confident	164 Å²	164	90.6 Å²	90.6	88%	0.877	47%	0.473	S	S	*	.			trans	-71.7	4.1	-176.8	-67.8	-37.3	0	0	0	114.5	P24	D22-P24 VanDerWaalsContact O-CD 3.28Å; D22-P24 WeakPolarHBondContact O-CD 3.42Å
23	R	76.9	Confident	73.8	Confident	136 Å²	136	88.1 Å²	88.1	51%	0.513	48%	0.476	S	S	.	.			trans	-84.5	110.6	179.9	-67.6	-174.8	174.7	-147.7	-0.4	110.5	C21 Y25 C26	C21-R23 PolarHBondContact O-N 3.41Å; R23-Y25 PolarHBondContact O-N 3.19Å; R23-C26 HydrophobicContact CB-CB 4.02Å; R23-C26 PolarHBondContact O-N 2.97Å
24	P	67	Low	71.9	Confident	112 Å²	112	95.8 Å²	95.8	73%	0.727	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.6	-175	27.2	-36	0	0	0	114.6	D22	D22-P24 VanDerWaalsContact O-CD 3.28Å; D22-P24 WeakPolarHBondContact O-CD 3.42Å
25	Y	71.1	Confident	70	Confident	198 Å²	198	97.8 Å²	97.8	78%	0.776	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	59.1	176.5	-53.3	-74.2	0	0	0	109.8	R23 H27	R23-Y25 PolarHBondContact O-N 3.19Å; Y25-H27 PolarHBondContact O-CD2 3.36Å; Y25-H27 PolarHBondContact O-N 3.46Å
26	C	73.7	Confident	68.1	Low	10 Å²	10	100.8 Å²	100.8	7%	0.068	53%	0.529	C	S	.	.			trans	-70.1	129.8	174.8	-154.3	0	0	0	0	110.4	T4 C13 R23 H30	T4-C26 WeakPolarHBondContact CG2-O 3.43Å; C13-C26 PolarHBondContact SG-SG 3.45Å; R23-C26 HydrophobicContact CB-CB 4.02Å; R23-C26 PolarHBondContact O-N 2.97Å; C26-H30 VanDerWaalsContact CB-CE1 3.46Å; C26-H30 WeakPolarHBondContact CB-CE1 3.42Å; C26-H30 PolarHBondContact SG-NE2 2.79Å
27	H	77.4	Confident	65.8	Low	93 Å²	93	104.3 Å²	104.3	43%	0.431	56%	0.557	S	S	.	*			trans	-102	3.6	175.2	-66	-77.7	0	0	0	113.1	F8 Y25	F8-H27 CarbonylContact C-O 3.54Å; F8-H27 VanDerWaalsContact C-O 3.3Å; F8-H27 WeakPolarHBondContact CB-O 2.99Å; F8-H27 HydrophobicContact CD2-CB 4.34Å; Y25-H27 PolarHBondContact O-CD2 3.36Å; Y25-H27 PolarHBondContact O-N 3.46Å
28	F	77.6	Confident	63.9	Low	50 Å²	50	109 Å²	109	22%	0.219	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	160.4	177	-66.3	-90.5	0	0	0	110.4	F8 L11 C13	F8-F28 HydrophobicContact CB-CD1 3.95Å; F8-F28 HydrophobicContact CB-CE1 4.02Å; F8-F28 HydrophobicContact CB-CG 4.37Å; F8-F28 HydrophobicContact CD2-CZ 4.41Å; F8-F28 HydrophobicContact CG-CE1 4.25Å; F8-F28 HydrophobicContact CG-CZ 4.4Å; L11-F28 HydrophobicContact CB-CD1 3.81Å; L11-F28 HydrophobicContact CB-CE1 4.16Å; L11-F28 HydrophobicContact CD1-CE1 4.29Å; L11-F28 WeakPolarHBondContact O-CB 3.34Å; C13-F28 HydrophobicContact CB-CB 3.61Å; C13-F28 HydrophobicContact CB-CG 4.44Å
29	N	76.7	Confident	62.8	Low	65 Å²	65	108.5 Å²	108.5	35%	0.348	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.6	137.2	176.9	-165.4	-6.8	0	0	0	111.8	Q9 L11 L12 C13	Q9-N29 WeakPolarHBondContact O-CB 3.35Å; L11-N29 PolarHBondContact O-N 3.19Å; L12-N29 HydrophobicContact CD2-CB 4.38Å; C13-N29 WeakPolarHBondContact CB-O 3.49Å; C13-N29 PolarHBondContact N-O 3.47Å
30	H	80.6	Confident	61.1	Low	76 Å²	76	113.9 Å²	113.9	35%	0.352	59%	0.588	S	S	.	*			trans	-117.8	96.8	175.3	-69.8	168.4	0	0	0	108.2	C13 F16 C21 C26	C13-H30 VanDerWaalsContact CB-CD2 3.44Å; C13-H30 WeakPolarHBondContact CB-CD2 3.49Å; F16-H30 HydrophobicContact CD2-CB 3.79Å; F16-H30 AromaticContact CD2-CD2 3.68Å; F16-H30 AromaticContact CD2-CG 3.65Å; F16-H30 HydrophobicContact CE2-CB 3.69Å; F16-H30 HydrophobicContact CG-CB 4.31Å; F16-H30 AromaticContact CG-CD2 3.91Å; F16-H30 HydrophobicContact CZ-CB 4.12Å; C21-H30 VanDerWaalsContact CB-CE1 3.48Å; C21-H30 WeakPolarHBondContact CB-CE1 3.4Å; C21-H30 WeakPolarHBondContact CB-NE2 3.42Å; C26-H30 VanDerWaalsContact CB-CE1 3.46Å; C26-H30 WeakPolarHBondContact CB-CE1 3.42Å; C26-H30 PolarHBondContact SG-NE2 2.79Å
31	F	72.8	Confident	59.1	Low	134 Å²	134	115.9 Å²	115.9	59%	0.588	60%	0.597	S	S	*	*			trans	-122	99.9	-173.5	-170.2	-92.9	0	0	0	110.5	L12 G33	L12-F31 HydrophobicContact CD2-CB 3.95Å; F31-G33 PolarHBondContact O-N 2.87Å
32	D	61.6	Low	56.9	Low	89 Å²	89	123.1 Å²	123.1	48%	0.476	63%	0.633	S	S	.	*			trans	-74.2	117.1	167.9	-80.4	-47.4	0	0	0	109.4	F16 G19 Q34	F16-D32 HydrophobicContact CZ-CB 4.44Å; F16-D32 VanDerWaalsContact CZ-CG 3.5Å; F16-D32 WeakPolarHBondContact CZ-OD1 3.47Å; F16-D32 WeakPolarHBondContact CZ-OD2 3.43Å; G19-D32 WeakPolarHBondContact CA-OD1 3.45Å; G19-D32 VanDerWaalsContact CA-OD2 3.29Å; G19-D32 WeakPolarHBondContact CA-OD2 3.15Å; G19-D32 PolarHBondContact N-OD1 2.79Å; D32-Q34 PolarHBondContact O-N 3.22Å
33	G	55.7	Low	54.8	Low	65 Å²	65	119.8 Å²	119.8	67%	0.67	62%	0.622	S	S	*	*	S	Bend	trans	-73	43.3	-178.3	0	0	0	0	0	115.1	F31	F31-G33 PolarHBondContact O-N 2.87Å
34	Q	43.3	Very low	52.6	Low	171 Å²	171	121 Å²	121	80%	0.799	64%	0.638	S	S	*	*			trans	-126.3	41.9	-178.4	-64.4	-167.3	8.5	0	0	113.3	D32	D32-Q34 PolarHBondContact O-N 3.22Å
35	N	39.6	Very low	50.7	Low	158 Å²	158	121.3 Å²	121.3	85%	0.845	64%	0.638	S	S	*	*			trans	-147.9	138.9	155.5	-89.6	-65.4	0	0	0	109.3
36	V	35.5	Very low	49	Very low	104 Å²	104	121.2 Å²	121.2	63%	0.63	64%	0.641	S	S	*	*			trans	-139.4	132.5	-161.3	177.2	0	0	0	0	109.3	E38	V36-E38 HydrophobicContact CG1-CB 4.42Å; V36-E38 HydrophobicContact CG1-CG 3.42Å; V36-E38 VanDerWaalsContact CG1-CG 3.42Å
37	P	32.9	Very low	47	Very low	119 Å²	119	126 Å²	126	77%	0.773	68%	0.675	S	S	*	*				-114.2	144.9	109.3	-13	31.3	0	0	0	114.2	E39	P37-E39 PolarHBondContact O-N 3.43Å
38	E	32	Very low	44.5	Very low	185 Å²	185	127.6 Å²	127.6	86%	0.864	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	60.5	-174.1	-61.3	-178.7	117.2	0	0	114.1	V36	V36-E38 HydrophobicContact CG1-CB 4.42Å; V36-E38 HydrophobicContact CG1-CG 3.42Å; V36-E38 VanDerWaalsContact CG1-CG 3.42Å
39	E	39.8	Very low	42.3	Very low	178 Å²	178	135 Å²	135	83%	0.832	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	-14.6	173.4	-67.1	-169.7	170.7	0	0	114.7	P37	P37-E39 PolarHBondContact O-N 3.43Å
40	N	37.8	Very low	40.1	Very low	145 Å²	145	137.2 Å²	137.2	78%	0.775	75%	0.745	S	S	*	*	S	Bend	trans	-111	20.3	-171.7	-83.8	-50.5	0	0	0	115.8
41	I	31.8	Very low	37.8	Very low	157 Å²	157	138.2 Å²	138.2	81%	0.805	76%	0.761	S	S	*	*	S	Bend	trans	-126.7	47.4	-178.6	-40.1	-177.6	0	0	0	112.2
42	L	34.5	Very low	36.3	Very low	176 Å²	176	138 Å²	138	92%	0.921	77%	0.77	S	S	*	*	S	Bend	trans	-156.9	23.3	170.4	-116.8	161.8	0	0	0	116.4
43	S	32.3	Very low	35.4	Very low	94 Å²	94	140 Å²	140	66%	0.657	78%	0.781	S	S	*	*			trans	-122.3	1	179.8	51.3	0	0	0	0	115.3	T45	S43-T45 VanDerWaalsContact C-N 3.26Å; S43-T45 PolarHBondContact O-N 2.84Å
44	I	30.2	Very low	35	Very low	163 Å²	163	143.1 Å²	143.1	84%	0.836	79%	0.789	S	S	*	*	S	Bend	trans	-77.6	79	164.5	-56.6	177.1	0	0	0	108.7
45	T	28.9	Very low	35.1	Very low	118 Å²	118	141.1 Å²	141.1	72%	0.724	79%	0.788	S	S	*	*	S	Bend	trans	163.7	140.9	147.9	38.9	0	0	0	0	110.9	S43	S43-T45 VanDerWaalsContact C-N 3.26Å; S43-T45 PolarHBondContact O-N 2.84Å
46	K	33.7	Very low	35.7	Very low	196 Å²	196	142.5 Å²	142.5	85%	0.852	78%	0.783	S	S	*	*			trans	70.4	147.4	-177.6	-47	164.7	-174	168.6	0	114.1
47	S	31.9	Very low	36.8	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	79%	0.788	S	S	*	*			cis	-167.2	146.8	-24.3	48.2	0	0	0	0	109.1
48	C	26.1	Very low	38.3	Very low	125 Å²	125	144.4 Å²	144.4	85%	0.845	78%	0.78	S	S	*	*			trans	-64.5	143.4	-175.9	-40.6	0	0	0	0	114.4
49	K	30.5	Very low	40.3	Very low	205 Å²	205	138.4 Å²	138.4	89%	0.891	76%	0.756	S	S	*	*				-171.9	157.6	123.3	-100.7	163.7	-174.5	-174.6	0	112
50	P	30.6	Very low	41.8	Very low	112 Å²	112	133.6 Å²	133.6	73%	0.727	74%	0.74	S	S	*	*			trans	-110.7	-178.6	-167.6	42.4	-35.5	0	0	0	115.6
51	S	32.1	Very low	43.3	Very low	98 Å²	98	132.3 Å²	132.3	69%	0.685	73%	0.732	S	S	*	*			trans	65.9	121.9	155.6	65.7	0	0	0	0	121
52	V	41.5	Very low	45.3	Very low	128 Å²	128	128 Å²	128	78%	0.776	72%	0.716	S	S	*	*				-146.7	134.5	121.8	-175.6	0	0	0	0	107.7
53	D	42.1	Very low	46.9	Very low	132 Å²	132	123.5 Å²	123.5	71%	0.706	69%	0.692	S	S	*	*			trans	-87.1	152	179.5	-56	-65.4	0	0	0	112.9	V55	D53-V55 PolarHBondContact O-N 3.3Å
54	P	46.8	Very low	48.3	Very low	131 Å²	131	123 Å²	123	85%	0.851	68%	0.681	S	S	*	*			trans	-72.7	119.2	-178.3	28.5	-34.4	0	0	0	112.9
55	V	46.6	Very low	50.2	Low	128 Å²	128	120.5 Å²	120.5	78%	0.776	67%	0.666	S	S	*	*			trans	-91.2	115.9	178.8	179.9	0	0	0	0	111.3	D53	D53-V55 PolarHBondContact O-N 3.3Å
56	Y	52	Low	51.9	Low	188 Å²	188	122.1 Å²	122.1	74%	0.737	66%	0.664	S	S	*	*			trans	-65.8	137.5	175.5	177.5	-117.4	0	0	0	112.6	P58	Y56-P58 HydrophobicContact CD1-CG 4.09Å; Y56-P58 HydrophobicContact CE1-CB 4.16Å; Y56-P58 HydrophobicContact CE1-CG 3.75Å
57	K	58.9	Low	52.9	Low	168 Å²	168	120.5 Å²	120.5	73%	0.73	65%	0.652	S	S	*	*			trans	-117.5	109.1	172	-70.2	179.6	-179.2	173.9	0	109.1
58	P	64.9	Low	53.9	Low	94 Å²	94	120.6 Å²	120.6	61%	0.61	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-58.4	147.9	176.6	-23.5	32.5	0	0	0	112.8	Y56	Y56-P58 HydrophobicContact CD1-CG 4.09Å; Y56-P58 HydrophobicContact CE1-CB 4.16Å; Y56-P58 HydrophobicContact CE1-CG 3.75Å
59	T	73.1	Confident	55.1	Low	60 Å²	60	122.4 Å²	122.4	37%	0.368	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-65.7	130.6	173.1	-65.9	0	0	0	0	110.2	I63 L64	T59-I63 HydrophobicContact CG2-CB 3.85Å; T59-I63 HydrophobicContact CG2-CG2 3.89Å; T59-L64 HydrophobicContact CG2-CD2 4.2Å; T59-L64 HydrophobicContact CG2-CG 4.31Å
60	P	71	Confident	55.7	Low	77 Å²	77	116.8 Å²	116.8	50%	0.5	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-54.4	138.4	176.1	-28.6	35.1	0	0	0	113.5	S62 I63	P60-S62 PolarHBondContact O-N 3.45Å; P60-I63 HydrophobicContact CB-CD1 4.46Å; P60-I63 HydrophobicContact CG-CD1 4.37Å; P60-I63 WeakPolarHBondContact O-CB 3.31Å; P60-I63 PolarHBondContact O-N 2.95Å
61	I	70.2	Confident	56.5	Low	117 Å²	117	116.7 Å²	116.7	60%	0.6	62%	0.623	S	S	*	*	H	α-helix	trans	-56.1	-37.4	-175.5	-64.5	171	0	0	0	111.9	I63 L64 E65	I61-I63 PolarHBondContact O-N 2.86Å; I61-L64 WeakPolarHBondContact O-CA 3.46Å; I61-L64 WeakPolarHBondContact O-CB 3.28Å; I61-L64 PolarHBondContact O-N 3.24Å; I61-E65 HydrophobicContact CG2-CG 3.97Å; I61-E65 WeakPolarHBondContact O-CG 3.46Å; I61-E65 PolarHBondContact O-N 3.44Å
62	S	74.1	Confident	57.2	Low	68 Å²	68	120.6 Å²	120.6	48%	0.476	63%	0.631	S	S	.	*	H	α-helix	trans	-66.9	-4.4	176.7	59.5	0	0	0	0	115.9	P60 E65 K66	P60-S62 PolarHBondContact O-N 3.45Å; S62-E65 WeakPolarHBondContact CA-OE2 3.39Å; S62-K66 WeakPolarHBondContact O-CD 3.35Å; S62-K66 WeakPolarHBondContact O-CG 3.08Å
63	I	68.1	Low	57.3	Low	81 Å²	81	120.1 Å²	120.1	42%	0.415	62%	0.624	S	S	.	*	H	α-helix	trans	-99.1	-28.4	168.4	-59.3	179.4	0	0	0	110.6	T59 P60 I61 R67	T59-I63 HydrophobicContact CG2-CB 3.85Å; T59-I63 HydrophobicContact CG2-CG2 3.89Å; P60-I63 HydrophobicContact CB-CD1 4.46Å; P60-I63 HydrophobicContact CG-CD1 4.37Å; P60-I63 WeakPolarHBondContact O-CB 3.31Å; P60-I63 PolarHBondContact O-N 2.95Å; I61-I63 PolarHBondContact O-N 2.86Å; I63-R67 WeakPolarHBondContact O-CG 3.5Å; I63-R67 PolarHBondContact O-N 3.02Å
64	L	59.9	Low	57.1	Low	82 Å²	82	121.6 Å²	121.6	43%	0.429	62%	0.62	S	S	.	*	H	α-helix	trans	-73.8	-45.2	173.3	-60.4	175.2	0	0	0	111.2	T59 I61 K66 R67 T68	T59-L64 HydrophobicContact CG2-CD2 4.2Å; T59-L64 HydrophobicContact CG2-CG 4.31Å; I61-L64 WeakPolarHBondContact O-CA 3.46Å; I61-L64 WeakPolarHBondContact O-CB 3.28Å; I61-L64 PolarHBondContact O-N 3.24Å; L64-K66 PolarHBondContact O-N 3.32Å; L64-R67 WeakPolarHBondContact O-CB 3.08Å; L64-R67 PolarHBondContact O-N 3.31Å; L64-T68 PolarHBondContact O-N 3.09Å; L64-T68 PolarHBondContact O-OG1 2.82Å
65	E	70.4	Confident	56.9	Low	111 Å²	111	123.5 Å²	123.5	52%	0.519	62%	0.623	S	S	.	*	H	α-helix	trans	-55.6	-38.1	176	-68.9	167.4	153.4	0	0	111.9	I61 S62 R67 T68	I61-E65 HydrophobicContact CG2-CG 3.97Å; I61-E65 WeakPolarHBondContact O-CG 3.46Å; I61-E65 PolarHBondContact O-N 3.44Å; S62-E65 WeakPolarHBondContact CA-OE2 3.39Å; E65-R67 VanDerWaalsContact C-N 3.33Å; E65-R67 PolarHBondContact O-N 2.87Å; E65-T68 PolarHBondContact O-N 3.42Å; E65-T68 PolarHBondContact O-OG1 3.21Å
66	K	65.9	Low	56.5	Low	153 Å²	153	124.6 Å²	124.6	67%	0.665	62%	0.624	S	S	*	*	H	α-helix	trans	-75.5	-15.4	176.7	-68.8	-178.1	-178	-179	0	114.6	S62 L64	S62-K66 WeakPolarHBondContact O-CD 3.35Å; S62-K66 WeakPolarHBondContact O-CG 3.08Å; L64-K66 PolarHBondContact O-N 3.32Å
67	R	53.8	Low	55.9	Low	162 Å²	162	121 Å²	121	61%	0.611	62%	0.616	S	S	*	*	H	α-helix	trans	-81	-30.1	172.9	-74.2	168.7	172	177.9	-4.4	111.5	I63 L64 E65 E69	I63-R67 WeakPolarHBondContact O-CG 3.5Å; I63-R67 PolarHBondContact O-N 3.02Å; L64-R67 WeakPolarHBondContact O-CB 3.08Å; L64-R67 PolarHBondContact O-N 3.31Å; E65-R67 VanDerWaalsContact C-N 3.33Å; E65-R67 PolarHBondContact O-N 2.87Å; R67-E69 VanDerWaalsContact C-N 3.34Å
68	T	54	Low	55	Low	113 Å²	113	119.8 Å²	119.8	69%	0.693	61%	0.613	S	S	*	*	H	α-helix	trans	-71.5	-22.1	175.3	28	0	0	0	0	114.3	L64 E65	L64-T68 PolarHBondContact O-N 3.09Å; L64-T68 PolarHBondContact O-OG1 2.82Å; E65-T68 PolarHBondContact O-N 3.42Å; E65-T68 PolarHBondContact O-OG1 3.21Å
69	E	50.3	Low	53.6	Low	163 Å²	163	126 Å²	126	76%	0.762	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-15.7	-175.8	-69.1	-177	149.8	0	0	115.1	R67	R67-E69 VanDerWaalsContact C-N 3.34Å
70	N	43.4	Very low	51.9	Low	86 Å²	86	129.7 Å²	129.7	46%	0.46	64%	0.644	S	S	.	*			trans	-152.7	88.4	178.8	-168.4	-14.3	0	0	0	113.8	Q72	N70-Q72 VanDerWaalsContact C-N 3.33Å; N70-Q72 PolarHBondContact O-N 2.92Å; N70-Q72 PolarHBondContact OD1-N 3.11Å
71	P	47.1	Very low	50.2	Low	111 Å²	111	135.4 Å²	135.4	72%	0.721	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-12.7	-179.1	-20.2	34	0	0	0	115.9
72	Q	47.5	Very low	48.5	Very low	180 Å²	180	136.7 Å²	136.7	84%	0.841	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	3.5	-160.8	-66.8	-174.1	-62.6	0	0	115.5	N70	N70-Q72 VanDerWaalsContact C-N 3.33Å; N70-Q72 PolarHBondContact O-N 2.92Å; N70-Q72 PolarHBondContact OD1-N 3.11Å
73	N	42.3	Very low	46.5	Very low	117 Å²	117	137.5 Å²	137.5	63%	0.626	68%	0.679	S	S	*	*	S	Bend	trans	-112.8	13.8	-167.4	-112.1	-13.7	0	0	0	115.5
74	Y	38	Very low	44.9	Very low	163 Å²	163	141.7 Å²	141.7	64%	0.639	70%	0.703	S	S	*	*			trans	-89.6	-17.5	-173.7	-154.2	-92.1	0	0	0	115.5	D76 E78	Y74-D76 PolarHBondContact O-N 3.49Å; Y74-E78 PolarHBondContact OH-OE1 3.42Å
75	L	44.3	Very low	43.4	Very low	172 Å²	172	143.7 Å²	143.7	90%	0.901	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-14.2	-165.7	-74.4	170.3	0	0	0	116.4
76	D	38.3	Very low	41.6	Very low	151 Å²	151	145.5 Å²	145.5	81%	0.807	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	1.9	-169.4	-75.2	-54.8	0	0	0	115.8	Y74	Y74-D76 PolarHBondContact O-N 3.49Å
77	I	38.3	Very low	39.9	Very low	111 Å²	111	146.4 Å²	146.4	57%	0.569	74%	0.739	S	S	*	*	S	Bend	trans	-96.7	-29.2	-161.3	-64.4	-179.3	0	0	0	114.9
78	E	39.2	Very low	39.1	Very low	143 Å²	143	143.5 Å²	143.5	67%	0.668	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-85.8	-18.6	-168.9	-69.7	-178.7	179.7	0	0	114.9	Y74 N80	Y74-E78 PolarHBondContact OH-OE1 3.42Å; E78-N80 PolarHBondContact O-N 3.46Å; E78-N80 VanDerWaalsContact O-N 3.11Å
79	Y	37	Very low	38.1	Very low	226 Å²	226	144.3 Å²	144.3	89%	0.886	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-77.2	5.2	-173.3	-134.6	-91	0	0	0	115.6
80	N	36.1	Very low	37.6	Very low	136 Å²	136	146.6 Å²	146.6	73%	0.727	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-134.5	17.3	-165.7	-111.8	-43.3	0	0	0	116.8	E78	E78-N80 PolarHBondContact O-N 3.46Å; E78-N80 VanDerWaalsContact O-N 3.11Å
81	K	37.2	Very low	37.3	Very low	198 Å²	198	151.7 Å²	151.7	86%	0.861	77%	0.772	S	S	*	*			trans	-105.8	63.8	169.9	-78.1	-177.4	178.2	172.4	0	112.5
82	N	34	Very low	37.2	Very low	143 Å²	143	155.1 Å²	155.1	77%	0.765	78%	0.779	S	S	*	*			trans	-59.3	143.6	169.1	-94.4	-53	0	0	0	112.6
83	A	31.6	Very low	37	Very low	85 Å²	85	152.4 Å²	152.4	70%	0.702	78%	0.777	S	S	*	*			trans	6.7	110.2	155.2	0	0	0	0	0	118.5
84	N	34.2	Very low	36.9	Very low	169 Å²	169	153.7 Å²	153.7	90%	0.904	78%	0.782	S	S	*	*				-170.7	164.2	129.7	-107.2	-53.7	0	0	0	114.2
85	C	28.7	Very low	37.2	Very low	125 Å²	125	151 Å²	151	85%	0.845	78%	0.784	S	S	*	*			trans	80.3	148.3	169.4	-146.9	0	0	0	0	117.8
86	M	32	Very low	38	Very low	148 Å²	148	149.2 Å²	149.2	73%	0.729	78%	0.781	S	S	*	*			trans	-129.8	153.3	-174	-65.5	-175.2	72.9	0	0	111.8
87	Q	30.9	Very low	38.4	Very low	172 Å²	172	150.9 Å²	150.9	80%	0.804	78%	0.777	S	S	*	*			trans	43.8	110	146.1	-67.2	174.1	-37.5	0	0	120.1
88	S	36.3	Very low	39.3	Very low	101 Å²	101	153.8 Å²	153.8	71%	0.706	79%	0.788	S	S	*	*			trans	-155.5	134.7	132.3	62.7	0	0	0	0	110.2
89	V	32.9	Very low	40.6	Very low	131 Å²	131	151.5 Å²	151.5	79%	0.794	79%	0.786	S	S	*	*			trans	-102.9	132.4	179.3	177	0	0	0	0	110
90	Y	40	Very low	42.4	Very low	210 Å²	210	144.4 Å²	144.4	82%	0.824	77%	0.766	S	S	*	*			trans	-142.3	137	166.4	-73.1	-76.8	0	0	0	109.6
91	E	37.5	Very low	44.2	Very low	193 Å²	193	141.8 Å²	141.8	90%	0.902	76%	0.757	S	S	*	*			trans	-101	138.4	177.1	-62.7	179.5	132.2	0	0	110.4
92	E	44.9	Very low	45.8	Very low	183 Å²	183	138.1 Å²	138.1	86%	0.855	75%	0.745	S	S	*	*			trans	-123.4	150.7	172.5	-79.7	-163.3	156.4	0	0	111.1
93	P	43.9	Very low	47.8	Very low	123 Å²	123	134.9 Å²	134.9	80%	0.799	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-72.2	143.4	-166.4	27.8	-35.7	0	0	0	114.5
94	I	40.2	Very low	49.7	Very low	145 Å²	145	134.3 Å²	134.3	74%	0.744	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-72.3	123.7	-177.3	-54.4	174	0	0	0	110.9
95	P	44.6	Very low	50.9	Low	105 Å²	105	131.3 Å²	131.3	68%	0.682	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-79.9	139.3	174.8	32	-33.9	0	0	0	112.1
96	V	59.9	Low	52.8	Low	136 Å²	136	131 Å²	131	82%	0.824	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-89.1	130	177.8	179	0	0	0	0	110.6
97	Y	48.1	Very low	54.8	Low	185 Å²	185	130.3 Å²	130.3	73%	0.725	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-75.2	137.3	175.4	177	-116	0	0	0	112	P99	Y97-P99 HydrophobicContact CE1-CB 3.82Å; Y97-P99 HydrophobicContact CE1-CG 4.43Å
98	Q	57.1	Low	56.3	Low	172 Å²	172	131 Å²	131	80%	0.804	68%	0.675	S	S	*	*			trans	-122.7	118.5	166.5	-68.3	-173.8	-12.6	0	0	108.1
99	P	66.2	Low	57.5	Low	95 Å²	95	128.4 Å²	128.4	62%	0.617	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-68.3	142.9	-179.9	27.1	-33.6	0	0	0	111.8	Y97	Y97-P99 HydrophobicContact CE1-CB 3.82Å; Y97-P99 HydrophobicContact CE1-CG 4.43Å
100	T	73.9	Confident	58.5	Low	78 Å²	78	127.1 Å²	127.1	48%	0.479	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-61.6	133.5	-179.4	-43.2	0	0	0	0	111.4	E104	T100-E104 HydrophobicContact CG2-CB 3.62Å; T100-E104 HydrophobicContact CG2-CG 3.81Å
101	P	73.8	Confident	58.9	Low	81 Å²	81	123.4 Å²	123.4	53%	0.526	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-57.5	145	176.9	-26.7	35.4	0	0	0	113.3	S103 E104	P101-S103 PolarHBondContact O-N 3.23Å; P101-S103 VanDerWaalsContact O-N 3.15Å; P101-E104 WeakPolarHBondContact O-CB 3.02Å; P101-E104 PolarHBondContact O-N 3.41Å
102	I	70.2	Confident	59.2	Low	121 Å²	121	118 Å²	118	62%	0.621	63%	0.632	S	S	*	*	H	α-helix	trans	-56.7	-34	-179.6	-65.9	171.5	0	0	0	112	E104 L105 E106	I102-E104 PolarHBondContact O-N 2.94Å; I102-E104 VanDerWaalsContact O-N 3.16Å; I102-L105 WeakPolarHBondContact O-CA 3.39Å; I102-L105 WeakPolarHBondContact O-CB 3.21Å; I102-L105 PolarHBondContact O-N 3.02Å; I102-E106 HydrophobicContact CG2-CG 4.19Å; I102-E106 WeakPolarHBondContact O-CG 3.44Å; I102-E106 PolarHBondContact O-N 3.07Å
103	S	75.9	Confident	59.3	Low	74 Å²	74	116.1 Å²	116.1	52%	0.517	63%	0.627	S	S	.	*	H	α-helix	trans	-68.7	-6.2	176.1	55.7	0	0	0	0	115.3	P101 E106 K107	P101-S103 PolarHBondContact O-N 3.23Å; P101-S103 VanDerWaalsContact O-N 3.15Å; S103-E106 WeakPolarHBondContact CA-OE2 3.15Å; S103-K107 VanDerWaalsContact O-CE 3.23Å; S103-K107 WeakPolarHBondContact O-CE 3.31Å
104	E	72	Confident	59.2	Low	73 Å²	73	114.3 Å²	114.3	34%	0.341	62%	0.618	S	S	.	*	H	α-helix	trans	-87.7	-43.3	162.7	-67.5	-95.1	103.6	0	0	110.8	T100 P101 I102 E106 K107 Y108	T100-E104 HydrophobicContact CG2-CB 3.62Å; T100-E104 HydrophobicContact CG2-CG 3.81Å; P101-E104 WeakPolarHBondContact O-CB 3.02Å; P101-E104 PolarHBondContact O-N 3.41Å; I102-E104 PolarHBondContact O-N 2.94Å; I102-E104 VanDerWaalsContact O-N 3.16Å; E104-E106 VanDerWaalsContact C-N 3.32Å; E104-E106 PolarHBondContact O-N 3.06Å; E104-K107 VanDerWaalsContact O-CB 3.27Å; E104-K107 WeakPolarHBondContact O-CB 3.43Å; E104-K107 PolarHBondContact O-N 3.41Å; E104-K107 VanDerWaalsContact O-N 3.07Å; E104-K107 IonicContact OE1-NZ 2.7Å; E104-K107 PolarHBondContact OE1-NZ 3.46Å; E104-Y108 WeakPolarHBondContact O-CD2 3.25Å
105	L	59.2	Low	59.6	Low	106 Å²	106	114.3 Å²	114.3	56%	0.555	62%	0.619	S	S	*	*	H	α-helix	trans	-61.1	-40	179	-66.4	169.3	0	0	0	111.8	I102 K107 Y108 A109	I102-L105 WeakPolarHBondContact O-CA 3.39Å; I102-L105 WeakPolarHBondContact O-CB 3.21Å; I102-L105 PolarHBondContact O-N 3.02Å; L105-K107 PolarHBondContact O-N 2.98Å; L105-K107 VanDerWaalsContact O-N 3.11Å; L105-Y108 PolarHBondContact O-N 3.11Å; L105-A109 PolarHBondContact O-N 3.02Å
106	E	69.4	Low	59.6	Low	119 Å²	119	118 Å²	118	56%	0.556	62%	0.621	S	S	*	*	H	α-helix	trans	-57	-23.1	174.3	-72.3	171.5	165.4	0	0	113.6	I102 S103 E104	I102-E106 HydrophobicContact CG2-CG 4.19Å; I102-E106 WeakPolarHBondContact O-CG 3.44Å; I102-E106 PolarHBondContact O-N 3.07Å; S103-E106 WeakPolarHBondContact CA-OE2 3.15Å; E104-E106 VanDerWaalsContact C-N 3.32Å; E104-E106 PolarHBondContact O-N 3.06Å
107	K	74.3	Confident	58.4	Low	133 Å²	133	115.5 Å²	115.5	58%	0.578	62%	0.622	S	S	*	*	H	α-helix	trans	-75.2	-28.7	177	-56.2	173.7	-177.1	173.9	0	113	S103 E104 L105	S103-K107 VanDerWaalsContact O-CE 3.23Å; S103-K107 WeakPolarHBondContact O-CE 3.31Å; E104-K107 VanDerWaalsContact O-CB 3.27Å; E104-K107 WeakPolarHBondContact O-CB 3.43Å; E104-K107 PolarHBondContact O-N 3.41Å; E104-K107 VanDerWaalsContact O-N 3.07Å; E104-K107 IonicContact OE1-NZ 2.7Å; E104-K107 PolarHBondContact OE1-NZ 3.46Å; L105-K107 PolarHBondContact O-N 2.98Å; L105-K107 VanDerWaalsContact O-N 3.11Å
108	Y	62.5	Low	57.9	Low	188 Å²	188	116 Å²	116	74%	0.737	63%	0.628	S	S	*	*	H	α-helix	trans	-97.7	-18.7	-173.4	-61.9	-73.8	0	0	0	113.1	E104 L105 P110	E104-Y108 WeakPolarHBondContact O-CD2 3.25Å; L105-Y108 PolarHBondContact O-N 3.11Å; Y108-P110 VanDerWaalsContact C-CD 3.48Å
109	A	60.8	Low	57	Low	46 Å²	46	113.1 Å²	113.1	38%	0.38	63%	0.627	S	S	.	*			trans	-130.1	55.9	178.7	0	0	0	0	0	113.1	L105 N111 S112	L105-A109 PolarHBondContact O-N 3.02Å; A109-N111 PolarHBondContact O-N 3.11Å; A109-S112 PolarHBondContact O-N 3.43Å
110	P	53.3	Low	55.3	Low	104 Å²	104	119.1 Å²	119.1	68%	0.675	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-13.6	-168.4	25.8	-36.4	0	0	0	115.8	Y108	Y108-P110 VanDerWaalsContact C-CD 3.48Å
111	N	48.4	Very low	53.4	Low	131 Å²	131	118.7 Å²	118.7	70%	0.701	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	-2.1	-177.8	-67.9	-14.5	0	0	0	114.3	A109 L113 S114	A109-N111 PolarHBondContact O-N 3.11Å; N111-L113 VanDerWaalsContact C-N 3.25Å; N111-L113 PolarHBondContact O-N 3.18Å; N111-S114 PolarHBondContact O-OG 3.36Å
112	S	44.3	Very low	51.5	Low	79 Å²	79	124.2 Å²	124.2	55%	0.552	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	16.8	-171.5	80.9	0	0	0	0	114.9	A109	A109-S112 PolarHBondContact O-N 3.43Å
113	L	47.3	Very low	49.6	Very low	145 Å²	145	124.1 Å²	124.1	76%	0.759	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	-1.2	-175.1	-138.2	77	0	0	0	113.8	N111	N111-L113 VanDerWaalsContact C-N 3.25Å; N111-L113 PolarHBondContact O-N 3.18Å
114	S	42.6	Very low	47.7	Very low	85 Å²	85	125.9 Å²	125.9	59%	0.594	69%	0.686	S	S	*	*	S	Bend	trans	-88	-22.6	-178.5	49.4	0	0	0	0	114.6	N111 Y116	N111-S114 PolarHBondContact O-OG 3.36Å; S114-Y116 VanDerWaalsContact C-N 3.32Å
115	D	47.1	Very low	45.8	Very low	145 Å²	145	131 Å²	131	78%	0.775	71%	0.709	S	S	*	*	S	Bend	trans	-88.2	-4.5	-170.7	-57.6	-14.4	0	0	0	112.8
116	Y	45.6	Very low	44.9	Very low	183 Å²	183	134 Å²	134	72%	0.718	73%	0.726	S	S	*	*	S	Bend	trans	-97.3	110.2	165.9	-73.1	-81.9	0	0	0	109.6	S114 F118	S114-Y116 VanDerWaalsContact C-N 3.32Å; Y116-F118 VanDerWaalsContact C-N 3.31Å; Y116-F118 PolarHBondContact O-N 2.78Å
117	G	34	Very low	43.2	Very low	82 Å²	82	136.2 Å²	136.2	85%	0.845	74%	0.736	S	S	*	*			trans	-69.2	67	-166.8	0	0	0	0	0	116.7	S119	G117-S119 PolarHBondContact O-N 2.85Å; G117-S119 VanDerWaalsContact O-N 3.13Å
118	F	37.3	Very low	41.5	Very low	195 Å²	195	135.6 Å²	135.6	86%	0.855	75%	0.746	S	S	*	*			trans	-72.6	99.8	168.1	-80.5	-82	0	0	0	111	Y116 K120	Y116-F118 VanDerWaalsContact C-N 3.31Å; Y116-F118 PolarHBondContact O-N 2.78Å; F118-K120 PolarHBondContact O-N 2.65Å
119	S	38.2	Very low	40.1	Very low	113 Å²	113	130.3 Å²	130.3	79%	0.79	74%	0.737	S	S	*	*			trans	-62.3	130	175.1	52.7	0	0	0	0	112	G117 G121	G117-S119 PolarHBondContact O-N 2.85Å; G117-S119 VanDerWaalsContact O-N 3.13Å; S119-G121 PolarHBondContact O-N 3.07Å
120	K	31.8	Very low	39.1	Very low	220 Å²	220	139.1 Å²	139.1	96%	0.957	76%	0.762	S	S	*	*			trans	-62.4	116.7	175.8	-68.3	177.3	178.5	174.5	0	110.9	F118	F118-K120 PolarHBondContact O-N 2.65Å
121	G	33	Very low	38.5	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	76%	0.764	S	S	*	*			trans	-146.8	92	-176.7	0	0	0	0	0	114.6	S119	S119-G121 PolarHBondContact O-N 3.07Å
122	F	33.9	Very low	38.6	Very low	196 Å²	196	138.6 Å²	138.6	86%	0.86	77%	0.768	S	S	*	*			trans	63.2	134	159.7	-132.8	-99.5	0	0	0	120
123	V	30.3	Very low	38.3	Very low	119 Å²	119	141.4 Å²	141.4	72%	0.721	78%	0.781	S	S	*	*			trans	-132.8	116.9	172.3	173.5	0	0	0	0	109.2
124	P	37.3	Very low	38	Very low	112 Å²	112	140 Å²	140	73%	0.727	78%	0.779	S	S	*	*			trans	-79	131.3	157.2	-10.1	28.2	0	0	0	109.5
125	Q	31.4	Very low	37.9	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	79%	0.788	S	S	*	*			trans	-91.7	133.5	173.8	-60.1	177.2	-73.4	0	0	110.2
126	D	40.3	Very low	37.5	Very low	171 Å²	171	144.5 Å²	144.5	91%	0.914	79%	0.786	S	S	*	*			trans	-162.6	147.6	140.4	-108.6	-31.9	0	0	0	111.1
127	Q	34.3	Very low	37.2	Very low	164 Å²	164	144.2 Å²	144.2	77%	0.766	79%	0.788	S	S	*	*			trans	-152.4	142.7	-173.7	-154.8	-170.3	47.2	0	0	111.1
128	P	38.4	Very low	37.3	Very low	120 Å²	120	145 Å²	145	78%	0.779	78%	0.777	S	S	*	*				-140.3	144.5	116.1	35.3	-22.5	0	0	0	112.3
129	S	33.3	Very low	37.5	Very low	77 Å²	77	143.5 Å²	143.5	54%	0.538	78%	0.775	S	S	.	*			cis	78	100.1	35	-169.8	0	0	0	0	115
130	Y	39	Very low	37.5	Very low	232 Å²	232	143.7 Å²	143.7	91%	0.91	77%	0.773	S	S	*	*			trans	-157.4	78.9	147.9	-122.8	-74.5	0	0	0	114.8
131	S	40.9	Very low	37.5	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	76%	0.764	S	S	*	*			trans	33.2	156.2	141.6	-59.2	0	0	0	0	126.2
132	P	51.2	Low	38	Very low	121 Å²	121	141 Å²	141	79%	0.786	77%	0.768	S	S	*	*			trans	-134.4	-176.9	-157.7	43.7	-24.9	0	0	0	117.8
133	V	37.7	Very low	38.3	Very low	138 Å²	138	137.4 Å²	137.4	84%	0.836	77%	0.767	S	S	*	*			trans	-152.2	133.6	178.3	171.6	0	0	0	0	107.8
134	V	40.8	Very low	38.8	Very low	116 Å²	116	136.9 Å²	136.9	70%	0.703	77%	0.766	S	S	*	*			cis	-156.9	147.6	-5.7	100.3	0	0	0	0	113.3
135	K	39.8	Very low	38.5	Very low	183 Å²	183	140.7 Å²	140.7	80%	0.796	77%	0.772	S	S	*	*			trans	14.8	146.8	136.9	-60.7	176.7	-179.1	175.3	0	120
136	I	39.1	Very low	38.7	Very low	141 Å²	141	139 Å²	139	72%	0.723	77%	0.767	S	S	*	*			cis	-163	169.7	6.3	-134.1	164.1	0	0	0	107.5
137	K	39	Very low	38.2	Very low	176 Å²	176	139.9 Å²	139.9	77%	0.765	76%	0.759	S	S	*	*			cis	-147.1	172.8	24.9	-127.9	158.7	-177.5	176.3	0	107.9
138	T	36.6	Very low	38.3	Very low	99 Å²	99	140.6 Å²	140.6	61%	0.607	76%	0.763	S	S	*	*			cis	72.5	124	23.2	37.1	0	0	0	0	116.3
139	M	40.3	Very low	38.1	Very low	164 Å²	164	139.4 Å²	139.4	81%	0.808	76%	0.755	S	S	*	*			cis	-166.9	-175.5	28.5	-86.4	-118.3	118.7	0	0	111.7
140	P	38	Very low	38.2	Very low	116 Å²	116	141.4 Å²	141.4	75%	0.753	77%	0.769	S	S	*	*			cis	-132.4	-155.7	-35.7	37.7	-16.8	0	0	0	114.1
141	S	33.5	Very low	38.1	Very low	111 Å²	111	136.2 Å²	136.2	78%	0.776	76%	0.764	S	S	*	*			trans	-104.1	170.3	-161.3	54	0	0	0	0	118.1
142	P	42.9	Very low	37.7	Very low	122 Å²	122	136.3 Å²	136.3	79%	0.792	76%	0.764	S	S	*	*			trans	-102.6	-173	-174.2	41.5	-37.4	0	0	0	115.9
143	S	39.9	Very low	36.9	Very low	121 Å²	121	136.5 Å²	136.5	85%	0.846	76%	0.763	S	S	*	*			trans	-150.8	158	167	-72	0	0	0	0	112.3
144	P	40.3	Very low	36.7	Very low	109 Å²	109	136 Å²	136	71%	0.708	76%	0.76	S	S	*	*			trans	-116.7	179.7	-160.6	43.2	-34.2	0	0	0	115.4
145	F	31.9	Very low	36.2	Very low	191 Å²	191	139 Å²	139	84%	0.838	77%	0.767	S	S	*	*			trans	-177.7	152.5	136.6	-100.4	-54.3	0	0	0	115.9
146	L	35.2	Very low	35.9	Very low	143 Å²	143	135.5 Å²	135.5	75%	0.749	77%	0.765	S	S	*	*			trans	38.9	129.4	153.1	-63.3	151.9	0	0	0	120.1
147	Y	29.9	Very low	35.6	Very low	191 Å²	191	133.7 Å²	133.7	75%	0.749	77%	0.765	S	S	*	*			cis	81.9	102.8	35.7	-169.3	-95.2	0	0	0	116.3
148	Q	35.6	Very low	35.1	Very low	179 Å²	179	132 Å²	132	84%	0.836	77%	0.77	S	S	*	*				-174.7	149.4	125.9	-104	-175.9	-28.2	0	0	111.9
149	P	35.5	Very low	35	Very low	95 Å²	95	131.8 Å²	131.8	62%	0.617	77%	0.772	S	S	*	*			trans	-116.1	156.3	-175.7	40.1	-31.3	0	0	0	116.4
150	S	35.2	Very low	34.7	Very low	119 Å²	119	131 Å²	131	83%	0.832	77%	0.771	S	S	*	*			trans	67.8	163.5	154.5	-68.5	0	0	0	0	117.6
151	P	37.7	Very low	34.5	Very low	123 Å²	123	136 Å²	136	80%	0.799	78%	0.776	S	S	*	*			cis	-133.1	-165	18.7	44.4	-26.2	0	0	0	116.7
152	S	31.4	Very low	34.4	Very low	104 Å²	104	134 Å²	134	73%	0.727	77%	0.766	S	S	*	*			trans	-68.1	170.4	178.6	50.6	0	0	0	0	115.6
153	V	34.3	Very low	34.1	Very low	125 Å²	125	137.5 Å²	137.5	76%	0.758	77%	0.769	S	S	*	*			trans	-175.5	135.7	131.9	136.8	0	0	0	0	114.5
154	T	33.5	Very low	33.9	Very low	127 Å²	127	140.2 Å²	140.2	78%	0.779	77%	0.768	S	S	*	*			trans	53.8	131.8	160.3	54.8	0	0	0	0	124.9
155	E	30.4	Very low	33.6	Very low	180 Å²	180	140.6 Å²	140.6	84%	0.841	77%	0.769	S	S	*	*			trans	-60.3	159.3	157.4	-47.5	154	141.3	0	0	114.1
156	S	33.4	Very low	33.9	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	77%	0.768	S	S	*	*			trans	-173.6	102.3	135.5	19.9	0	0	0	0	115.2
157	S	32.5	Very low	33.8	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	77%	0.765	S	S	*	*			trans	39.7	141.9	131.4	45.1	0	0	0	0	125.2
158	T	29.7	Very low	34.1	Very low	141 Å²	141	137.7 Å²	137.7	87%	0.865	77%	0.772	S	S	*	*			trans	73.3	148.1	159.5	63.4	0	0	0	0	117.8
159	S	33.3	Very low	34.1	Very low	94 Å²	94	135.1 Å²	135.1	66%	0.657	76%	0.764	S	S	*	*			cis	-168.4	166.8	34	69.4	0	0	0	0	115
160	L	35.8	Very low	34.3	Very low	148 Å²	148	136.6 Å²	136.6	78%	0.775	77%	0.771	S	S	*	*			trans	67.6	144.9	155.8	-59.8	163.1	0	0	0	118.9
161	Y	31.8	Very low	34.4	Very low	220 Å²	220	137 Å²	137	86%	0.863	76%	0.764	S	S	*	*			cis	68.7	135.5	48.3	-88.2	-97.6	0	0	0	113.6
162	A	32.6	Very low	34.4	Very low	69 Å²	69	135.7 Å²	135.7	57%	0.57	76%	0.757	S	S	*	*			cis	-168.7	166.1	2.5	0	0	0	0	0	113.8
163	K	36.9	Very low	34.7	Very low	196 Å²	196	137.9 Å²	137.9	85%	0.852	76%	0.761	S	S	*	*			trans	59.3	158.7	150.8	-63	175.3	177.5	-179.8	0	118
164	E	35.4	Very low	34.9	Very low	177 Å²	177	140.4 Å²	140.4	83%	0.827	77%	0.765	S	S	*	*			cis	-147.5	139.5	35.7	-74.4	-175.6	143.5	0	0	112.7
165	V	34.2	Very low	35.1	Very low	118 Å²	118	141 Å²	141	72%	0.715	76%	0.763	S	S	*	*				71.5	121.8	101	-175.5	0	0	0	0	118.1
166	I	38.9	Very low	35.3	Very low	163 Å²	163	138.2 Å²	138.2	84%	0.836	76%	0.758	S	S	*	*				-170.4	141.1	125.2	-93.3	156.7	0	0	0	109.2
167	N	32.3	Very low	35.5	Very low	128 Å²	128	138.6 Å²	138.6	68%	0.684	76%	0.758	S	S	*	*			trans	-98.4	164.4	-178.3	-56.8	-10.7	0	0	0	112.6
168	I	36.8	Very low	35.4	Very low	172 Å²	172	138.8 Å²	138.8	88%	0.882	76%	0.759	S	S	*	*				-148.3	154.1	116.4	-64	-157.9	0	0	0	108.5
169	N	34.6	Very low	35.9	Very low	125 Å²	125	137.5 Å²	137.5	67%	0.668	75%	0.754	S	S	*	*			trans	-94.3	-172.6	-167.8	-61.9	10.8	0	0	0	115.7
170	V	38.9	Very low	35.8	Very low	126 Å²	126	139.1 Å²	139.1	76%	0.764	76%	0.76	S	S	*	*			trans	106.2	122.1	155	-179.2	0	0	0	0	114.9
171	D	38.1	Very low	35.9	Very low	128 Å²	128	138.4 Å²	138.4	68%	0.684	76%	0.761	S	S	*	*			cis	-162.9	142	-15.9	-101.1	-9	0	0	0	106.8
172	S	36.9	Very low	36	Very low	95 Å²	95	131.7 Å²	131.7	66%	0.664	75%	0.751	S	S	*	*				55.3	135.4	112.9	-67.2	0	0	0	0	117.8
173	D	39.4	Very low	36.1	Very low	150 Å²	150	137 Å²	137	80%	0.802	76%	0.764	S	S	*	*			cis	-150.2	-169.4	13.9	-85.6	-38.8	0	0	0	113.2
174	E	37	Very low	36	Very low	179 Å²	179	134.7 Å²	134.7	84%	0.836	76%	0.761	S	S	*	*			trans	-66.8	178	-172.6	-47.8	-171.6	121	0	0	114.7
175	D	38.7	Very low	36	Very low	140 Å²	140	133.1 Å²	133.1	75%	0.749	76%	0.758	S	S	*	*			cis	-166.9	-169.1	40.4	-156.7	-14.8	0	0	0	113.5
176	T	33.5	Very low	36.4	Very low	120 Å²	120	133.4 Å²	133.4	74%	0.736	76%	0.763	S	S	*	*			trans	-120.2	-171.5	-167	43	0	0	0	0	113.4
177	P	37.4	Very low	36.2	Very low	118 Å²	118	129.1 Å²	129.1	77%	0.766	76%	0.759	S	S	*	*			cis	-128.3	-165.1	-39.1	31.4	-10.1	0	0	0	114.5
178	S	32.1	Very low	36.3	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	77%	0.766	S	S	*	*			trans	-36.8	164.1	166.8	-47.4	0	0	0	0	118
179	P	39.1	Very low	36.3	Very low	115 Å²	115	130.6 Å²	130.6	75%	0.747	77%	0.768	S	S	*	*			cis	-159.6	171.9	44.9	44.4	-21	0	0	0	122.7
180	T	31.4	Very low	36.4	Very low	128 Å²	128	134.8 Å²	134.8	79%	0.785	77%	0.774	S	S	*	*			trans	29.2	141.1	141.7	-40.4	0	0	0	0	125
181	V	36.9	Very low	36.1	Very low	132 Å²	132	134.7 Å²	134.7	80%	0.8	77%	0.774	S	S	*	*				157.2	137.4	126.4	160.7	0	0	0	0	115.5
182	A	35.5	Very low	36	Very low	80 Å²	80	135.1 Å²	135.1	66%	0.661	78%	0.781	S	S	*	*			trans	54.2	133.4	160.5	0	0	0	0	0	120.5
183	Q	34.2	Very low	35.8	Very low	179 Å²	179	135.8 Å²	135.8	84%	0.836	79%	0.786	S	S	*	*				59.6	118.2	60.5	-62.2	-171.4	-78.2	0	0	112.9
184	D	35.5	Very low	35.6	Very low	148 Å²	148	135.8 Å²	135.8	79%	0.791	79%	0.791	S	S	*	*				-164.8	-178.8	58.7	-128.8	-32.4	0	0	0	116.2
185	N	33.9	Very low	35.4	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	78%	0.783	S	S	*	*			trans	-93	-174	178.3	-89.2	-64.4	0	0	0	113.7
186	P	42.3	Very low	35.2	Very low	124 Å²	124	134.5 Å²	134.5	81%	0.805	79%	0.791	S	S	*	*				-132.1	-167.7	-50.3	39.9	-23.7	0	0	0	111.8
187	G	36.2	Very low	35.1	Very low	74 Å²	74	132.4 Å²	132.4	76%	0.763	79%	0.793	S	S	*	*			trans	150.6	130	150.7	0	0	0	0	0	118.7
188	D	34.5	Very low	35.1	Very low	153 Å²	153	134 Å²	134	82%	0.818	80%	0.8	S	S	*	*			trans	-55.6	144	171.5	-83.9	-65	0	0	0	114.6
189	L	37.2	Very low	35.1	Very low	178 Å²	178	137 Å²	137	93%	0.932	80%	0.803	S	S	*	*				-157.9	157.3	129.9	-110.5	160.2	0	0	0	111.9
190	R	35.6	Very low	35	Very low	212 Å²	212	138.7 Å²	138.7	80%	0.8	81%	0.805	S	S	*	*			trans	-116.6	161.5	-160.2	-58.4	173.5	176.6	167.7	-3	114
191	T	33.5	Very low	35.2	Very low	125 Å²	125	137.1 Å²	137.1	77%	0.767	80%	0.8	S	S	*	*			trans	96.5	148.4	139.8	-16.7	0	0	0	0	119.8
192	V	35.8	Very low	35.3	Very low	137 Å²	137	138.6 Å²	138.6	83%	0.83	80%	0.798	S	S	*	*			trans	88.5	117.7	160.9	-164.5	0	0	0	0	117.5
193	S	31.3	Very low	35.3	Very low	109 Å²	109	141 Å²	141	76%	0.762	80%	0.8	S	S	*	*			trans	-89.2	159.9	172.1	13	0	0	0	0	112.7
194	V	35.2	Very low	35.6	Very low	149 Å²	149	139 Å²	139	90%	0.903	80%	0.795	S	S	*	*			trans	-159.3	157.6	146.3	130.8	0	0	0	0	109.3
195	A	33.7	Very low	35.6	Very low	81 Å²	81	140.4 Å²	140.4	67%	0.669	79%	0.794	S	S	*	*			trans	-112.1	-179.6	-169.4	0	0	0	0	0	114.3
196	K	35	Very low	35.9	Very low	211 Å²	211	142 Å²	142	92%	0.917	80%	0.802	S	S	*	*			trans	84.3	132.6	-173.2	-50.8	163	-175.4	176.7	0	112.7
197	G	31.3	Very low	35.4	Very low	76 Å²	76	145.2 Å²	145.2	78%	0.784	80%	0.803	S	S	*	*			cis	122.2	122.9	-6.1	0	0	0	0	0	113.7
198	V	36.2	Very low	35.6	Very low	151 Å²	151	149.6 Å²	149.6	92%	0.915	81%	0.807	S	S	*	*			trans	-151.6	163.5	171.3	141.5	0	0	0	0	108.4
199	Q	33.6	Very low	35.7	Very low	172 Å²	172	151 Å²	151	80%	0.804	81%	0.808	S	S	*	*			trans	-115.9	-176.9	-163.6	-59.6	178	-55.4	0	0	114.5
200	N	35.3	Very low	35.5	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	80%	0.796	S	S	*	*			trans	87	146.5	168	-57.2	-18.6	0	0	0	116.1
201	S	36.7	Very low	35.4	Very low	95 Å²	95	141.6 Å²	141.6	66%	0.664	80%	0.8	S	S	*	*			cis	-178.4	155.2	-20.1	54.8	0	0	0	0	106.6
202	Q	38.7	Very low	35.4	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	80%	0.803	S	S	*	*			cis	-163.9	159	40.9	-63.8	174.3	-45.6	0	0	110.4
203	N	36.2	Very low	35.4	Very low	132 Å²	132	143.6 Å²	143.6	71%	0.706	81%	0.807	S	S	*	*			trans	58.4	156.5	147.7	-59.5	-2.1	0	0	0	120.2
204	D	40.2	Very low	35.6	Very low	137 Å²	137	146.4 Å²	146.4	73%	0.733	81%	0.807	S	S	*	*			cis	-135.5	-178.7	9.1	-133.5	-45.7	0	0	0	114.5
205	K	35.2	Very low	35.6	Very low	177 Å²	177	145.2 Å²	145.2	77%	0.77	80%	0.796	S	S	*	*			trans	-104.9	154.7	-163.2	-59.3	162.3	-176	154.2	0	115.6
206	L	39.5	Very low	35.6	Very low	178 Å²	178	149.6 Å²	149.6	93%	0.932	80%	0.803	S	S	*	*				-151.9	158.6	129.5	-106.1	155.6	0	0	0	110.3
207	K	32.4	Very low	35.3	Very low	190 Å²	190	149.1 Å²	149.1	83%	0.826	80%	0.801	S	S	*	*			trans	-139	155.6	-170.9	-85.6	-172.1	172.9	-173	0	111.5
208	I	39.6	Very low	35.6	Very low	167 Å²	167	151.7 Å²	151.7	86%	0.856	81%	0.807	S	S	*	*			trans	-158.6	165.3	140.2	-101.5	146.6	0	0	0	110
209	H	37.2	Very low	35.4	Very low	182 Å²	182	154.2 Å²	154.2	84%	0.843	81%	0.805	S	S	*	*			trans	-80.3	164.4	-172.6	-59.5	-118.1	0	0	0	112.5
210	G	33	Very low	35.4	Very low	66 Å²	66	158.3 Å²	158.3	68%	0.68	81%	0.814	S	S	*	*			cis	124.5	118.9	-8	0	0	0	0	0	115.2
211	S	33.2	Very low	35.2	Very low	126 Å²	126	162.1 Å²	162.1	88%	0.881	82%	0.817	S	S	*	*			trans	174.5	130.2	150.5	-80.5	0	0	0	0	113.2
212	P	33.7	Very low	34.9	Very low	129 Å²	129	163.1 Å²	163.1	84%	0.838	82%	0.819	S	S	*	*			trans	-117.5	153.3	170.7	38.7	-28.9	0	0	0	114
213	I	37.3	Very low	34.5	Very low	175 Å²	175	164.9 Å²	164.9	90%	0.897	82%	0.824	S	S	*	*			trans	-134.5	149.9	168.8	-63.7	-176.4	0	0	0	110
214	H	33.6	Very low	34.1	Very low	168 Å²	168	165.2 Å²	165.2	78%	0.778	83%	0.83	S	S	*	*			trans	-117.7	-176.4	-168.8	-140.8	-107	0	0	0	111.8
215	N	35.2	Very low	33.8	Very low	125 Å²	125	164 Å²	164	67%	0.668	83%	0.832	S	S	*	*			trans	76	150.7	166.9	-69.3	15	0	0	0	118.2
216	E	35	Very low	33.7	Very low	172 Å²	172	165.1 Å²	165.1	80%	0.804	84%	0.837	S	S	*	*			cis	-154.9	171.7	-25.5	-124.3	-171.6	140.8	0	0	111.1
217	K	29.4	Very low	33.3	Very low	201 Å²	201	161.6 Å²	161.6	87%	0.874	83%	0.827	S	S	*	*			trans	-89.6	134.5	-179.5	-69.5	171.3	-179	165.6	0	112.3
218	S	37.3	Very low	33.4	Very low	131 Å²	131	160.2 Å²	160.2	92%	0.916	82%	0.821	S	S	*	*			trans	-150.5	145	155.4	-94.3	0	0	0	0	113.2
219	K	31.4	Very low	33	Very low	204 Å²	204	158.4 Å²	158.4	89%	0.887	81%	0.809	S	S	*	*			trans	-112.7	142.5	-177.8	-60.5	172.2	179.1	175.3	0	110
220	R	34.4	Very low	32.7	Very low	258 Å²	258	157.4 Å²	157.4	97%	0.974	81%	0.807	S	S	*	*			trans	-155.2	176.6	151.6	-111	157.2	-163	-162.9	3.2	112.3
221	R	30	Very low	32.5	Very low	229 Å²	229	159.4 Å²	159.4	86%	0.864	81%	0.806	S	S	*	*			trans	-128.7	136.8	-149.7	-109.9	179.7	131.9	-177.8	-2.3	112.8
222	V	30.5	Very low	32.4	Very low	116 Å²	116	159.6 Å²	159.6	70%	0.703	80%	0.802	S	S	*	*				57.4	120	129.6	174.8	0	0	0	0	119.7
223	K	29.7	Very low	32.5	Very low	200 Å²	200	158.3 Å²	158.3	87%	0.87	79%	0.794	S	S	*	*				-170.2	166.5	107.6	-124.6	142.9	-175.8	-175.8	0	114
224	V	29.6	Very low	32.2	Very low	138 Å²	138	156.2 Å²	156.2	84%	0.836	78%	0.784	S	S	*	*			trans	-144.4	145.2	-175.6	174.2	0	0	0	0	110.7
225	S	33.6	Very low	32.2	Very low	112 Å²	112	155.6 Å²	155.6	78%	0.783	78%	0.781	S	S	*	*			trans	-148.7	124.2	165.5	-67.1	0	0	0	0	108.2
226	K	33.1	Very low	32.2	Very low	200 Å²	200	156.3 Å²	156.3	87%	0.87	78%	0.784	S	S	*	*				54.6	131.9	85.6	-81.9	-171.1	172.5	-175.4	0	114.3
227	S	31.4	Very low	32	Very low	104 Å²	104	154.2 Å²	154.2	73%	0.727	78%	0.779	S	S	*	*			cis	-157.5	-162.8	6.7	53.2	0	0	0	0	110.2
228	K	34.2	Very low	32.2	Very low	161 Å²	161	151.5 Å²	151.5	70%	0.7	77%	0.772	S	S	*	*			cis	-159.7	-143.9	22.5	-147.6	-171	-169.3	-109.6	0	113.3
229	E	29.9	Very low	32	Very low	129 Å²	129	152.2 Å²	152.2	60%	0.603	77%	0.772	S	S	*	*			trans	-77.7	170.3	-178.4	-61.1	124.8	-149.3	0	0	113.7
230	M	32.3	Very low	32	Very low	162 Å²	162	151.8 Å²	151.8	80%	0.798	77%	0.77	S	S	*	*			cis	-163.1	178.6	32.3	-115.4	128.8	69.1	0	0	109.9
231	T	28.4	Very low	32.1	Very low	107 Å²	107	147.5 Å²	147.5	66%	0.656	76%	0.764	S	S	*	*			cis	175.4	118.3	-33.3	-85	0	0	0	0	112.3
232	V	31.2	Very low	32.2	Very low	131 Å²	131	143.3 Å²	143.3	79%	0.794	76%	0.759	S	S	*	*			trans	59.2	148	137.1	-179.6	0	0	0	0	120.8
233	P	35.5	Very low	32.6	Very low	102 Å²	102	144.2 Å²	144.2	66%	0.662	76%	0.76	S	S	*	*			cis	-138.7	-160.6	-21	42.6	-22.7	0	0	0	116.4
234	N	31.7	Very low	32.8	Very low	130 Å²	130	142.8 Å²	142.8	70%	0.695	75%	0.754	S	S	*	*			trans	74.1	154	152.2	-80.7	39.6	0	0	0	120.7
235	E	31.8	Very low	33.1	Very low	155 Å²	155	146.8 Å²	146.8	72%	0.724	75%	0.754	S	S	*	*			cis	-172	179.7	-29.8	-123.8	-168.5	163.1	0	0	111.1
236	L	35.8	Very low	33.1	Very low	140 Å²	140	146 Å²	146	73%	0.733	75%	0.748	S	S	*	*			trans	99.4	124.4	157.5	-59.1	173.9	0	0	0	123.2
237	N	31.5	Very low	33.1	Very low	129 Å²	129	143.1 Å²	143.1	69%	0.69	75%	0.747	S	S	*	*			trans	51.1	135.4	140.7	-58.8	-14.5	0	0	0	122.3
238	I	32.5	Very low	33.2	Very low	143 Å²	143	145.5 Å²	145.5	73%	0.733	75%	0.752	S	S	*	*			cis	84.3	115.8	30.2	-57.1	168.9	0	0	0	116
239	T	33.2	Very low	33	Very low	147 Å²	147	142 Å²	142	90%	0.902	75%	0.748	S	S	*	*			trans	-153.9	159.3	147.5	8.2	0	0	0	0	111.8
240	K	32.4	Very low	33.1	Very low	194 Å²	194	142.5 Å²	142.5	84%	0.843	76%	0.76	S	S	*	*			trans	-129.7	158.1	179.3	-61.3	175.3	177.7	-179.7	0	110.4
241	I	37	Very low	33.1	Very low	169 Å²	169	142.7 Å²	142.7	87%	0.867	76%	0.759	S	S	*	*			trans	-136	151.3	154.5	-62.4	-174.5	0	0	0	108.9
242	N	31.8	Very low	33.3	Very low	140 Å²	140	146.4 Å²	146.4	75%	0.749	77%	0.766	S	S	*	*			trans	-160.8	131.1	-169.3	-148.5	45.7	0	0	0	110.9
243	D	38.9	Very low	33.3	Very low	135 Å²	135	146.1 Å²	146.1	72%	0.722	76%	0.76	S	S	*	*			trans	-153.9	136.7	164.9	-87.4	-47.7	0	0	0	108
244	K	33.7	Very low	33.1	Very low	170 Å²	170	147.5 Å²	147.5	74%	0.739	76%	0.761	S	S	*	*			cis	79.3	139.3	49.3	-65.6	178.2	-173.2	163.9	0	112.4
245	R	35.7	Very low	33.1	Very low	222 Å²	222	149.5 Å²	149.5	84%	0.838	77%	0.767	S	S	*	*			cis	-165.4	158	27.1	-147	175.8	-169.8	159.1	-2.8	112.7
246	S	33.4	Very low	33.1	Very low	96 Å²	96	149.6 Å²	149.6	67%	0.671	77%	0.772	S	S	*	*			trans	39.1	125.7	151.7	50.7	0	0	0	0	121.1
247	V	33	Very low	33	Very low	140 Å²	140	151 Å²	151	85%	0.848	78%	0.781	S	S	*	*				71.3	113.8	50.6	-180	0	0	0	0	114.9
248	D	33.1	Very low	33	Very low	153 Å²	153	148.1 Å²	148.1	82%	0.818	78%	0.781	S	S	*	*			trans	-156.9	177.8	130.7	-150.8	-11	0	0	0	110.6
249	S	29.8	Very low	33	Very low	89 Å²	89	149.2 Å²	149.2	62%	0.622	79%	0.788	S	S	*	*			trans	-159.5	147.8	-162.5	41.6	0	0	0	0	113.2
250	T	32.8	Very low	33	Very low	138 Å²	138	147.2 Å²	147.2	85%	0.847	78%	0.779	S	S	*	*			trans	-174.5	144.8	140.5	14.2	0	0	0	0	115.3
251	E	31.2	Very low	33.4	Very low	166 Å²	166	144.8 Å²	144.8	78%	0.776	78%	0.781	S	S	*	*			trans	-46.6	147.9	171.3	-59.8	141.8	173.4	0	0	117.3
252	K	34.4	Very low	33.9	Very low	185 Å²	185	142.3 Å²	142.3	80%	0.804	77%	0.768	S	S	*	*				-176.3	112.3	118.7	-102.4	164.4	-176.3	173.6	0	115.9
253	D	29.7	Very low	35.5	Very low	125 Å²	125	137.6 Å²	137.6	67%	0.668	75%	0.747	S	S	*	*				39.1	146.2	120.5	-44.4	-22.9	0	0	0	123.2
254	N	31.8	Very low	36.6	Very low	131 Å²	131	137.8 Å²	137.8	70%	0.701	74%	0.741	S	S	*	*			trans	83.3	109.4	160.2	-52.8	-27.7	0	0	0	116.5
255	E	32.5	Very low	37.8	Very low	172 Å²	172	131.4 Å²	131.4	80%	0.804	71%	0.712	S	S	*	*				91.1	99.9	92.7	-77.7	174	164.5	0	0	109.8
256	D	30.1	Very low	39.4	Very low	157 Å²	157	125.6 Å²	125.6	84%	0.84	70%	0.695	S	S	*	*				91.4	90.9	72.1	-170.8	36.1	0	0	0	111
257	D	34.4	Very low	41.2	Very low	171 Å²	171	127.1 Å²	127.1	91%	0.914	69%	0.689	S	S	*	*			trans	-160.8	134.6	157	-134.2	-19.5	0	0	0	108.1
258	G	30.9	Very low	42.9	Very low	67 Å²	67	125 Å²	125	69%	0.691	67%	0.672	S	S	*	*			trans	-137.3	138.8	-169.1	0	0	0	0	0	114.5
259	N	32.2	Very low	44.4	Very low	167 Å²	167	120.4 Å²	120.4	89%	0.893	65%	0.647	S	S	*	*			trans	-163.6	167.2	146	-144.1	-24.8	0	0	0	113.4
260	C	33.6	Very low	46.4	Very low	105 Å²	105	118.9 Å²	118.9	71%	0.709	64%	0.637	S	S	*	*			trans	67.1	76.2	157.6	-166.6	0	0	0	0	118.2
261	T	40.8	Very low	48.1	Very low	142 Å²	142	117.6 Å²	117.6	87%	0.871	62%	0.624	S	S	*	*			trans	-128.2	84.2	153.5	46.1	0	0	0	0	111.8	S263	T261-S263 PolarHBondContact O-N 3.14Å
262	L	47.7	Very low	49.5	Very low	117 Å²	117	114.4 Å²	114.4	61%	0.613	61%	0.606	S	S	*	*			trans	-55.7	129.7	169.1	-93.7	166.2	0	0	0	110.6
263	S	66.4	Low	51.1	Low	42 Å²	42	112.2 Å²	112.2	29%	0.294	60%	0.598	S	S	.	*			trans	-61.8	140.4	-174.1	178.4	0	0	0	0	111.7	T261 R265 Q266 K267	T261-S263 PolarHBondContact O-N 3.14Å; S263-R265 PolarHBondContact O-N 3.21Å; S263-R265 PolarHBondContact OG-N 3.25Å; S263-Q266 VanDerWaalsContact CB-OE1 3.29Å; S263-Q266 VanDerWaalsContact N-OE1 3.15Å; S263-Q266 WeakPolarHBondContact O-CB 3.4Å; S263-Q266 PolarHBondContact O-N 3.41Å; S263-K267 PolarHBondContact O-N 2.68Å; S263-K267 VanDerWaalsContact O-N 3.13Å
264	K	61.1	Low	53	Low	139 Å²	139	111.7 Å²	111.7	60%	0.604	60%	0.595	S	S	*	*	H	α-helix	trans	-53.7	-37	173	-65.6	171.8	-175.3	164.5	0	111.5	K267 I268	K264-K267 PolarHBondContact O-N 2.92Å; K264-I268 WeakPolarHBondContact O-CG1 3.38Å; K264-I268 PolarHBondContact O-N 2.72Å
265	R	59.6	Low	54.4	Low	36 Å²	36	111.3 Å²	111.3	14%	0.136	59%	0.592	C	S	.	*	H	α-helix	trans	-67.9	-36.9	177	-179.1	166	168.5	140	5.5	112.2	S263 I268 L269 L599 L602 L690 H691 F693	S263-R265 PolarHBondContact O-N 3.21Å; S263-R265 PolarHBondContact OG-N 3.25Å; R265-I268 PolarHBondContact O-N 3.14Å; R265-L269 HydrophobicContact CG-CD1 3.97Å; R265-L269 HydrophobicContact CG-CG 4.36Å; R265-L269 WeakPolarHBondContact O-CB 3.28Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 3.17Å; R265-L599 HydrophobicContact CB-CD1 4.15Å; R265-L602 HydrophobicContact CB-CD2 4.14Å; R265-L602 HydrophobicContact CG-CD1 4.37Å; R265-L602 HydrophobicContact CG-CD2 4.3Å; R265-L602 HydrophobicContact CG-CG 4.49Å; R265-L690 PolarHBondContact NH1-O 3.22Å; R265-H691 PolarHBondContact NH2-O 3.36Å; R265-F693 PolarHBondContact NH1-O 3.21Å
266	Q	68.3	Low	55.9	Low	99 Å²	99	111 Å²	111	46%	0.463	59%	0.585	S	S	.	*	H	α-helix	trans	-65.9	-37.4	173.5	-73.4	167.6	-54.3	0	0	112	S263 L269 S270	S263-Q266 VanDerWaalsContact CB-OE1 3.29Å; S263-Q266 VanDerWaalsContact N-OE1 3.15Å; S263-Q266 WeakPolarHBondContact O-CB 3.4Å; S263-Q266 PolarHBondContact O-N 3.41Å; Q266-L269 PolarHBondContact O-N 2.95Å; Q266-S270 PolarHBondContact O-N 3.42Å
267	K	71.9	Confident	56.8	Low	129 Å²	129	105.9 Å²	105.9	56%	0.561	57%	0.57	S	S	*	*	H	α-helix	trans	-65.2	-40.5	174.1	-64.3	-170.6	177.9	-169.3	0	112.6	S263 K264 L271	S263-K267 PolarHBondContact O-N 2.68Å; S263-K267 VanDerWaalsContact O-N 3.13Å; K264-K267 PolarHBondContact O-N 2.92Å; K267-L271 WeakPolarHBondContact O-CG 3.31Å; K267-L271 PolarHBondContact O-N 3.39Å; K267-L271 VanDerWaalsContact O-N 3.1Å
268	I	67.4	Low	57.1	Low	95 Å²	95	105.2 Å²	105.2	49%	0.487	57%	0.566	S	S	.	*	H	α-helix	trans	-67.3	-41.7	175.8	-66.9	164.1	0	0	0	110.9	K264 R265 L271 Y272	K264-I268 WeakPolarHBondContact O-CG1 3.38Å; K264-I268 PolarHBondContact O-N 2.72Å; R265-I268 PolarHBondContact O-N 3.14Å; I268-L271 PolarHBondContact O-N 3.41Å; I268-Y272 PolarHBondContact O-N 2.86Å
269	L	66.1	Low	57.6	Low	56 Å²	56	108.9 Å²	108.9	29%	0.293	58%	0.575	S	S	.	*	H	α-helix	trans	-66.4	-39.8	177.6	-70.3	170.2	0	0	0	112.4	R265 Q266 Y272 Q273 H691	R265-L269 HydrophobicContact CG-CD1 3.97Å; R265-L269 HydrophobicContact CG-CG 4.36Å; R265-L269 WeakPolarHBondContact O-CB 3.28Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 3.17Å; Q266-L269 PolarHBondContact O-N 2.95Å; L269-Y272 PolarHBondContact O-N 2.84Å; L269-Q273 WeakPolarHBondContact O-CB 3.49Å; L269-Q273 PolarHBondContact O-N 3.24Å; L269-H691 WeakPolarHBondContact CD2-ND1 3.44Å
270	S	70.7	Confident	57.9	Low	57 Å²	57	107.6 Å²	107.6	40%	0.399	57%	0.569	S	S	.	*	H	α-helix	trans	-55.3	-58.6	169.8	-170.1	0	0	0	0	109.7	Q266 Y272 Q273 D274	Q266-S270 PolarHBondContact O-N 3.42Å; S270-Y272 PolarHBondContact O-N 3.41Å; S270-Q273 CarbonylContact O-C 3.59Å; S270-Q273 WeakPolarHBondContact O-CA 3.45Å; S270-Q273 WeakPolarHBondContact O-CB 3.42Å; S270-Q273 PolarHBondContact O-N 3.4Å; S270-D274 WeakPolarHBondContact O-CB 3.29Å; S270-D274 PolarHBondContact O-N 3.16Å; S270-D274 PolarHBondContact OG-OD2 3.05Å
271	L	70.1	Confident	58	Low	111 Å²	111	109.7 Å²	109.7	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-55.4	-31.8	-179	-72.1	168.3	0	0	0	113.5	K267 I268 D274 L275	K267-L271 WeakPolarHBondContact O-CG 3.31Å; K267-L271 PolarHBondContact O-N 3.39Å; K267-L271 VanDerWaalsContact O-N 3.1Å; I268-L271 PolarHBondContact O-N 3.41Å; L271-D274 PolarHBondContact N-OD2 3.11Å; L271-L275 WeakPolarHBondContact O-CB 3.34Å; L271-L275 VanDerWaalsContact O-CD1 3.31Å; L271-L275 WeakPolarHBondContact O-CD1 3.34Å; L271-L275 WeakPolarHBondContact O-CG 3.47Å; L271-L275 PolarHBondContact O-N 3.09Å
272	Y	60.7	Low	57.6	Low	100 Å²	100	110.2 Å²	110.2	39%	0.392	57%	0.57	S	S	.	*	H	α-helix	trans	-77.8	-32.1	176.8	-143	-93.5	0	0	0	112.9	I268 L269 S270 Y276 A687	I268-Y272 PolarHBondContact O-N 2.86Å; L269-Y272 PolarHBondContact O-N 2.84Å; S270-Y272 PolarHBondContact O-N 3.41Å; Y272-Y276 HydrophobicContact CD1-CD2 4.15Å; Y272-Y276 HydrophobicContact CE1-CD2 4.06Å; Y272-Y276 HydrophobicContact CE1-CE2 4.44Å; Y272-Y276 HydrophobicContact CE2-CE2 4.47Å; Y272-Y276 PolarHBondContact O-N 3.19Å; Y272-A687 HydrophobicContact CE2-CB 3.88Å
273	Q	67.8	Low	57	Low	139 Å²	139	109.5 Å²	109.5	65%	0.65	58%	0.575	S	S	*	*	H	α-helix	trans	-74.2	-43	173	-172.3	167.5	-3.2	0	0	111.2	L269 S270 L275 Y276 G277	L269-Q273 WeakPolarHBondContact O-CB 3.49Å; L269-Q273 PolarHBondContact O-N 3.24Å; S270-Q273 CarbonylContact O-C 3.59Å; S270-Q273 WeakPolarHBondContact O-CA 3.45Å; S270-Q273 WeakPolarHBondContact O-CB 3.42Å; S270-Q273 PolarHBondContact O-N 3.4Å; Q273-L275 PolarHBondContact O-N 2.98Å; Q273-L275 VanDerWaalsContact O-N 3.15Å; Q273-Y276 PolarHBondContact O-N 3.43Å; Q273-G277 WeakPolarHBondContact O-CA 3.42Å; Q273-G277 PolarHBondContact O-N 3.01Å
274	D	68.8	Low	55.6	Low	114 Å²	114	112.7 Å²	112.7	61%	0.61	60%	0.597	S	S	*	*	H	α-helix	trans	-60.4	-20.4	175.4	-60.8	-40.7	0	0	0	112.9	S270 L271	S270-D274 WeakPolarHBondContact O-CB 3.29Å; S270-D274 PolarHBondContact O-N 3.16Å; S270-D274 PolarHBondContact OG-OD2 3.05Å; L271-D274 PolarHBondContact N-OD2 3.11Å
275	L	62.2	Low	54.4	Low	122 Å²	122	111.5 Å²	111.5	64%	0.639	60%	0.601	S	S	*	*	H	α-helix	trans	-97.8	-20.5	177.6	-75.4	171.5	0	0	0	114.7	L271 Q273	L271-L275 WeakPolarHBondContact O-CB 3.34Å; L271-L275 VanDerWaalsContact O-CD1 3.31Å; L271-L275 WeakPolarHBondContact O-CD1 3.34Å; L271-L275 WeakPolarHBondContact O-CG 3.47Å; L271-L275 PolarHBondContact O-N 3.09Å; Q273-L275 PolarHBondContact O-N 2.98Å; Q273-L275 VanDerWaalsContact O-N 3.15Å
276	Y	64.1	Low	53.2	Low	166 Å²	166	115.5 Å²	115.5	65%	0.651	63%	0.625	S	S	*	*	H	α-helix	trans	-145.1	4.2	-165.2	-63.8	-65.4	0	0	0	116.3	Y272 Q273	Y272-Y276 HydrophobicContact CD1-CD2 4.15Å; Y272-Y276 HydrophobicContact CE1-CD2 4.06Å; Y272-Y276 HydrophobicContact CE1-CE2 4.44Å; Y272-Y276 HydrophobicContact CE2-CE2 4.47Å; Y272-Y276 PolarHBondContact O-N 3.19Å; Q273-Y276 PolarHBondContact O-N 3.43Å
277	G	48.3	Very low	51.7	Low	50 Å²	50	117.9 Å²	117.9	52%	0.515	63%	0.634	S	S	.	*			trans	-117.9	83.5	-168.5	0	0	0	0	0	116.6	Q273	Q273-G277 WeakPolarHBondContact O-CA 3.42Å; Q273-G277 PolarHBondContact O-N 3.01Å
278	D	41	Very low	49.9	Very low	157 Å²	157	118.8 Å²	118.8	84%	0.84	65%	0.645	S	S	*	*			trans	-110.5	115.6	166.8	-86	-38.3	0	0	0	111.5
279	T	40.6	Very low	48.4	Very low	144 Å²	144	118.8 Å²	118.8	88%	0.883	65%	0.654	S	S	*	*			trans	171.1	140.6	140.7	25.5	0	0	0	0	111.2
280	D	38.4	Very low	47	Very low	140 Å²	140	123.9 Å²	123.9	75%	0.749	68%	0.68	S	S	*	*			trans	-101.3	153.4	-159.6	-32.2	-103.9	0	0	0	115.4
281	N	35.3	Very low	45.4	Very low	148 Å²	148	126.1 Å²	126.1	79%	0.791	69%	0.693	S	S	*	*				164.5	101.3	110.2	-87.9	-74	0	0	0	115
282	D	33	Very low	43.6	Very low	153 Å²	153	129.2 Å²	129.2	82%	0.818	70%	0.702	S	S	*	*				44.2	149.1	127.7	-101.3	-25.2	0	0	0	127.4
283	S	35.7	Very low	42.3	Very low	103 Å²	103	132.4 Å²	132.4	72%	0.72	73%	0.726	S	S	*	*			trans	72.9	124.3	166	67.3	0	0	0	0	119.3
284	S	36	Very low	40.6	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	73%	0.733	S	S	*	*			cis	86.4	138.6	28.6	87.2	0	0	0	0	114.1
285	V	36	Very low	39.1	Very low	115 Å²	115	131.1 Å²	131.1	70%	0.697	75%	0.747	S	S	*	*			cis	-156.5	143.8	33.1	163.2	0	0	0	0	113
286	D	35.8	Very low	37.7	Very low	119 Å²	119	135.2 Å²	135.2	64%	0.636	76%	0.76	S	S	*	*			trans	31.2	158.1	147.2	-65.2	-1.3	0	0	0	125.4
287	K	35.8	Very low	36.3	Very low	150 Å²	150	133.5 Å²	133.5	65%	0.652	77%	0.772	S	S	*	*			cis	-173.7	170.5	-16.4	-102.6	176.5	-179.2	80	0	109.6
288	N	34.5	Very low	35.6	Very low	147 Å²	147	135.7 Å²	135.7	79%	0.786	79%	0.785	S	S	*	*			trans	76	145.3	154.8	-65.1	-25.4	0	0	0	119.3
289	S	35.6	Very low	35.4	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	78%	0.782	S	S	*	*			cis	-165.7	132.5	-5.6	49.2	0	0	0	0	115.9
290	L	36.3	Very low	35	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	78%	0.783	S	S	*	*			trans	54.7	155.7	143.7	-81.6	92.4	0	0	0	124.5
291	P	37.5	Very low	34.7	Very low	104 Å²	104	136 Å²	136	68%	0.675	79%	0.785	S	S	*	*			trans	-135.2	-164.1	-157.1	42.2	-21.6	0	0	0	114.9
292	K	33.2	Very low	34.7	Very low	177 Å²	177	134.4 Å²	134.4	77%	0.77	78%	0.783	S	S	*	*			trans	147	132	136.3	-80.8	164.6	-174.6	177.9	0	113.7
293	N	32.9	Very low	34.8	Very low	167 Å²	167	132.3 Å²	132.3	89%	0.893	78%	0.778	S	S	*	*				179	161.7	116.5	-90.7	-29.9	0	0	0	112.1
294	A	31.6	Very low	34.6	Very low	96 Å²	96	136.6 Å²	136.6	79%	0.793	78%	0.78	S	S	*	*			trans	-140.4	167.8	-169.1	0	0	0	0	0	113.6
295	S	37.7	Very low	34.6	Very low	129 Å²	129	138.7 Å²	138.7	90%	0.902	78%	0.779	S	S	*	*			trans	-158.7	153.1	164.4	-81.5	0	0	0	0	111.6
296	K	31.9	Very low	34.4	Very low	209 Å²	209	138.4 Å²	138.4	91%	0.909	78%	0.783	S	S	*	*			trans	-125.7	157.4	-174.2	-66	177.6	175.3	179.7	0	111.9
297	S	34.8	Very low	34.3	Very low	130 Å²	130	139 Å²	139	91%	0.909	79%	0.793	S	S	*	*			trans	-169.9	166	143.1	29.4	0	0	0	0	111
298	A	34.7	Very low	34.1	Very low	96 Å²	96	137.4 Å²	137.4	79%	0.793	80%	0.795	S	S	*	*			trans	-134.8	166	-161.4	0	0	0	0	0	113.9
299	P	36.6	Very low	34	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	79%	0.794	S	S	*	*			trans	-105.1	-180	-166.3	41.2	-36.1	0	0	0	115.6
300	L	32.6	Very low	33.9	Very low	174 Å²	174	143.2 Å²	143.2	91%	0.911	80%	0.802	S	S	*	*			trans	-141.8	161.8	171.6	-74.1	175.2	0	0	0	112.8
301	I	31.4	Very low	33.6	Very low	155 Å²	155	145 Å²	145	80%	0.795	80%	0.803	S	S	*	*			trans	-141.7	-168.3	-174.5	0.6	174.4	0	0	0	107.9
302	P	34.8	Very low	33.6	Very low	115 Å²	115	144.4 Å²	144.4	75%	0.747	80%	0.799	S	S	*	*			cis	-127.9	-116.3	-14.7	23.7	3.7	0	0	0	115.7
303	P	35.8	Very low	33.6	Very low	109 Å²	109	144.8 Å²	144.8	71%	0.708	80%	0.804	S	S	*	*				-129.4	-173	-108.7	41.9	-24.4	0	0	0	117.6
304	Y	32.2	Very low	33.5	Very low	192 Å²	192	143.1 Å²	143.1	75%	0.753	80%	0.799	S	S	*	*				144.2	109.7	123.5	-166.2	-101.3	0	0	0	119
305	M	34.6	Very low	33.6	Very low	152 Å²	152	145.1 Å²	145.1	75%	0.749	80%	0.802	S	S	*	*			trans	52.3	163.5	145.4	-63.8	-156.2	169.8	0	0	126.1
306	S	31.3	Very low	33.5	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	79%	0.792	S	S	*	*			trans	-124.4	171.7	177.4	-39.2	0	0	0	0	111.3
307	P	35.3	Very low	33.6	Very low	131 Å²	131	139.7 Å²	139.7	85%	0.851	79%	0.786	S	S	*	*				-150.4	-167.1	117.7	37.8	-19.1	0	0	0	116.4
308	V	31	Very low	33.6	Very low	116 Å²	116	139 Å²	139	70%	0.703	77%	0.772	S	S	*	*			trans	-115.4	150.9	-155.1	-160.5	0	0	0	0	113.1
309	F	32.6	Very low	33.9	Very low	175 Å²	175	142.4 Å²	142.4	77%	0.768	77%	0.768	S	S	*	*				157.5	139.8	121.5	-88.2	-61	0	0	0	119.8
310	K	33.5	Very low	33.8	Very low	191 Å²	191	146.1 Å²	146.1	83%	0.83	77%	0.772	S	S	*	*			trans	79.1	164.1	146.8	-70.4	168	-172.9	177.5	0	121.1
311	K	29.9	Very low	34	Very low	198 Å²	198	141.6 Å²	141.6	86%	0.861	76%	0.756	S	S	*	*			trans	-164.9	179	-162.7	-134.4	-164.4	170.2	-168.7	0	107.1
312	P	36.3	Very low	34.3	Very low	93 Å²	93	140.5 Å²	140.5	60%	0.604	75%	0.751	S	S	*	*			cis	-132.1	-173.6	-17.4	41	-23.1	0	0	0	114.2
313	E	33.3	Very low	34.4	Very low	185 Å²	185	142 Å²	142	86%	0.864	75%	0.753	S	S	*	*				178.3	176.8	125.2	-97	174	-164.4	0	0	112.4
314	T	32.4	Very low	34.4	Very low	131 Å²	131	143 Å²	143	80%	0.804	76%	0.757	S	S	*	*			trans	-155.6	139.7	-157.4	53.6	0	0	0	0	116.7
315	T	32.9	Very low	34.6	Very low	138 Å²	138	141.7 Å²	141.7	85%	0.847	76%	0.761	S	S	*	*			trans	-156.6	135.4	162.4	37.6	0	0	0	0	116.3
316	S	36.4	Very low	34.6	Very low	99 Å²	99	138.9 Å²	138.9	69%	0.692	76%	0.762	S	S	*	*			trans	50.6	111.2	146	62.1	0	0	0	0	124.9
317	T	32.1	Very low	34.9	Very low	126 Å²	126	139.6 Å²	139.6	77%	0.773	77%	0.767	S	S	*	*				18.7	145.4	121.8	55	0	0	0	0	120.6
318	D	36.4	Very low	34.7	Very low	116 Å²	116	136.8 Å²	136.8	62%	0.62	76%	0.762	S	S	*	*				-175.2	156.4	58.2	-145.7	-6.3	0	0	0	116.2
319	K	39.5	Very low	34.9	Very low	166 Å²	166	138.9 Å²	138.9	72%	0.722	77%	0.769	S	S	*	*			trans	54.6	126.6	154.7	-73.3	148.1	-168.8	154.1	0	126.4
320	K	36	Very low	34.9	Very low	196 Å²	196	137 Å²	137	85%	0.852	77%	0.772	S	S	*	*			trans	49.1	153.2	134.2	-72	-163.6	173.3	-166.9	0	123.1
321	S	36.3	Very low	34.9	Very low	80 Å²	80	137 Å²	137	56%	0.559	78%	0.775	S	S	*	*			cis	-168.5	164.1	-26.7	56.5	0	0	0	0	111.4
322	D	37.2	Very low	35.5	Very low	131 Å²	131	136 Å²	136	70%	0.701	77%	0.773	S	S	*	*			trans	78.8	116.6	154	-49.2	-44.8	0	0	0	123
323	N	37.6	Very low	35.9	Very low	146 Å²	146	140 Å²	140	78%	0.781	78%	0.783	S	S	*	*			trans	93.1	119	133.8	-73.8	-27.1	0	0	0	124.6
324	V	35.1	Very low	36.8	Very low	130 Å²	130	141.8 Å²	141.8	79%	0.788	78%	0.783	S	S	*	*			trans	69.2	107.6	144.8	-175.8	0	0	0	0	119.5
325	I	37.3	Very low	38.7	Very low	166 Å²	166	137.9 Å²	137.9	85%	0.851	76%	0.76	S	S	*	*				-166.4	151.4	125	-98.9	155.7	0	0	0	108.6
326	A	34.3	Very low	40.8	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	75%	0.75	S	S	*	*			trans	-91.1	122.1	-175.7	0	0	0	0	0	113.4
327	S	37	Very low	43.2	Very low	126 Å²	126	134.5 Å²	134.5	88%	0.881	73%	0.733	S	S	*	*			trans	-167.3	153.2	151.8	-82.8	0	0	0	0	109
328	G	31.7	Very low	45.6	Very low	71 Å²	71	129.8 Å²	129.8	73%	0.732	71%	0.705	S	S	*	*			trans	-81.8	145.1	-165.6	0	0	0	0	0	115.7
329	N	34.5	Very low	47.7	Very low	161 Å²	161	133.7 Å²	133.7	86%	0.861	71%	0.71	S	S	*	*			trans	-167.1	147.3	137.2	-102.8	-25	0	0	0	110.9	Q331	N329-Q331 PolarHBondContact O-N 2.83Å
330	V	33.9	Very low	49.7	Very low	136 Å²	136	131.5 Å²	131.5	82%	0.824	71%	0.705	S	S	*	*			trans	-79.3	116.6	176.2	178.5	0	0	0	0	109.1
331	Q	33	Very low	51.9	Low	191 Å²	191	122.4 Å²	122.4	89%	0.893	67%	0.667	S	S	*	*			trans	-90.5	114.6	173.4	-65.9	-171.2	2.8	0	0	110.1	N329	N329-Q331 PolarHBondContact O-N 2.83Å
332	H	41.6	Very low	53.9	Low	177 Å²	177	123.7 Å²	123.7	82%	0.819	67%	0.666	S	S	*	*			trans	-88.5	118.1	172.2	-123.1	-76.7	0	0	0	109.5	Y334	H332-Y334 PolarHBondContact O-N 2.85Å
333	E	44.8	Very low	56	Low	175 Å²	175	124 Å²	124	82%	0.818	66%	0.658	S	S	*	*			trans	-74	122.3	-178.1	-166.5	168.9	-151.6	0	0	111.4	V335	E333-V335 PolarHBondContact O-N 3.42Å
334	Y	53.4	Low	57.7	Low	223 Å²	223	125.9 Å²	125.9	88%	0.875	66%	0.659	S	S	*	*			trans	-94	82.7	-163.6	-157.6	-85.8	0	0	0	112.8	H332 A336	H332-Y334 PolarHBondContact O-N 2.85Å; Y334-A336 PolarHBondContact O-N 2.93Å
335	V	71.1	Confident	59.5	Low	50 Å²	50	120.6 Å²	120.6	30%	0.303	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-70.6	118.9	-179.7	-171.3	0	0	0	0	111.6	E333 Y375	E333-V335 PolarHBondContact O-N 3.42Å; V335-Y375 HydrophobicContact CB-CE2 4.35Å; V335-Y375 HydrophobicContact CG1-CD2 3.83Å; V335-Y375 HydrophobicContact CG1-CE2 3.91Å
336	A	77.9	Confident	61.3	Low	79 Å²	79	121 Å²	121	65%	0.653	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-77.3	128.6	-176.9	0	0	0	0	0	113.5	Y334 P338	Y334-A336 PolarHBondContact O-N 2.93Å; A336-P338 WeakPolarHBondContact O-CD 3.48Å
337	R	86.3	Confident	63.5	Low	87 Å²	87	123.4 Å²	123.4	33%	0.328	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-57	122.7	175.4	179.3	171.2	169.6	156.9	-3.1	111.4	D358 I361 E362 Y375	R337-D358 IonicContact CZ-OD1 2.66Å; R337-D358 IonicContact NE-OD1 3.13Å; R337-D358 PolarHBondContact NE-OD1 2.99Å; R337-D358 VanDerWaalsContact NH2-CB 3.33Å; R337-D358 VanDerWaalsContact NH2-CG 3.33Å; R337-D358 PolarHBondContact NH2-O 2.87Å; R337-D358 IonicContact NH2-OD1 2.71Å; R337-D358 PolarHBondContact NH2-OD1 3.34Å; R337-I361 HydrophobicContact CG-CD1 4.12Å; R337-I361 HydrophobicContact CG-CG2 4.3Å; R337-E362 IonicContact CZ-OE1 3.92Å; R337-E362 IonicContact NH1-OE1 3.65Å; R337-E362 PolarHBondContact NH1-OE1 3.45Å; R337-E362 IonicContact NH2-OE1 2.74Å; R337-E362 PolarHBondContact NH2-OE1 2.85Å; R337-Y375 HydrophobicContact CB-CE1 4.04Å; R337-Y375 HydrophobicContact CG-CE1 4.02Å
338	P	82.3	Confident	65.7	Low	27 Å²	27	117.5 Å²	117.5	18%	0.175	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-58.8	144.5	172.4	-22.8	32.7	0	0	0	111.9	A336 I361 Y375 L379	A336-P338 WeakPolarHBondContact O-CD 3.48Å; P338-I361 HydrophobicContact CB-CD1 4.41Å; P338-Y375 VanDerWaalsContact CD-CG 3.44Å; P338-Y375 HydrophobicContact CG-CG 4.12Å; P338-L379 HydrophobicContact CB-CD1 4.06Å; P338-L379 HydrophobicContact CB-CD2 4.22Å; P338-L379 HydrophobicContact CB-CG 4.35Å; P338-L379 HydrophobicContact CG-CD1 3.78Å; P338-L379 HydrophobicContact CG-CG 4.34Å
339	R	80.9	Confident	68.3	Low	197 Å²	197	117.3 Å²	117.3	74%	0.743	57%	0.57	S	S	*	*			trans	-123	-1.4	177.5	-62.4	-174.3	177.6	-151.1	-5.3	113.8	T354	R339-T354 WeakPolarHBondContact O-CG2 3.49Å; R339-T354 PolarHBondContact O-OG1 2.86Å
340	I	81.9	Confident	70.7	Confident	120 Å²	120	112.3 Å²	112.3	62%	0.615	54%	0.542	S	S	*	.	S	Bend	trans	-139.1	128.6	-171.6	-49.4	179.9	0	0	0	107.8
341	P	81.5	Confident	73.3	Confident	6 Å²	6	110.7 Å²	110.7	4%	0.039	53%	0.534	C	S	.	.			trans	-56.4	154.1	170.1	-26.7	34.4	0	0	0	114.1	R343 M350 R353 L357 E382	P341-R343 PolarHBondContact O-N 3.5Å; P341-M350 HydrophobicContact CG-SD 3.92Å; P341-R353 HydrophobicContact CG-CB 3.66Å; P341-L357 HydrophobicContact CG-CD2 4.25Å; P341-E382 WeakPolarHBondContact CB-OE2 3.48Å
342	L	78.9	Confident	75.9	Confident	106 Å²	106	103 Å²	103	56%	0.555	50%	0.499	S	S	*	.	S	Bend	trans	-56.7	-43.3	-174.8	-67.7	175.1	0	0	0	113.9	L379 Q383	L342-L379 HydrophobicContact CD1-CB 4.09Å; L342-L379 HydrophobicContact CD2-CB 4.19Å; L342-L379 HydrophobicContact CD2-CD1 4.12Å; L342-L379 HydrophobicContact CD2-CD2 4.23Å; L342-L379 HydrophobicContact CD2-CG 4.43Å; L342-L379 HydrophobicContact CG-CB 3.96Å; L342-L379 HydrophobicContact CG-CD2 4.13Å; L342-L379 HydrophobicContact CG-CG 4.49Å; L342-Q383 HydrophobicContact CD1-CB 4.21Å; L342-Q383 HydrophobicContact CD1-CG 4.46Å
343	R	80	Confident	78.2	Confident	137 Å²	137	94.6 Å²	94.6	52%	0.517	46%	0.46	S	S	.	.	S	Bend	trans	-113.8	148.4	176.5	-58.6	-173.3	-174.4	129.9	-0.4	111.4	P341 R353 Q383 D387	P341-R343 PolarHBondContact O-N 3.5Å; R343-R353 PolarHBondContact O-NH1 3.36Å; R343-Q383 VanDerWaalsContact N-OE1 3.15Å; R343-D387 IonicContact CZ-OD2 3.32Å; R343-D387 VanDerWaalsContact NH1-CG 3.29Å; R343-D387 IonicContact NH1-OD1 3.4Å; R343-D387 PolarHBondContact NH1-OD1 3.36Å; R343-D387 VanDerWaalsContact NH1-OD1 3.14Å; R343-D387 IonicContact NH1-OD2 2.66Å; R343-D387 PolarHBondContact NH1-OD2 3.01Å
344	K	74.3	Confident	80.4	Confident	187 Å²	187	87.9 Å²	87.9	81%	0.813	43%	0.431	S	S	*	.			trans	-70.5	160.4	163.3	-65.3	-179.8	-177.9	176.7	0	110.2	M350	K344-M350 HydrophobicContact CB-CE 4.44Å
345	S	72.4	Confident	82.2	Confident	18 Å²	18	85 Å²	85	13%	0.126	42%	0.418	C	S	.	.			trans	-150.9	134.1	178.6	-177.6	0	0	0	0	111.1	K347	S345-K347 PolarHBondContact OG-N 3.24Å
346	D	75.2	Confident	83.2	Confident	174 Å²	174	84.5 Å²	84.5	93%	0.93	41%	0.411	S	S	*	.	S	Bend	trans	-88.2	-16.6	178.7	-41.7	-65.3	0	0	0	111.9
347	K	80.3	Confident	84	Confident	144 Å²	144	80.8 Å²	80.8	63%	0.626	38%	0.38	S	S	*	.	S	Bend	trans	-87.2	-27.8	-175.6	-61.9	-173.8	-178.1	-178.1	0	114	S345	S345-K347 PolarHBondContact OG-N 3.24Å
348	I	84.4	Confident	84.2	Confident	2 Å²	2	78.8 Å²	78.8	1%	0.01	38%	0.376	C	S	.	.	S	Bend	trans	-132.2	112.4	-172.6	-59.2	146.7	0	0	0	108.2	M350 R353 A389 Y395	I348-M350 PolarHBondContact O-N 3.47Å; I348-R353 HydrophobicContact CB-CG 4.3Å; I348-R353 HydrophobicContact CG2-CG 3.68Å; I348-A389 HydrophobicContact CD1-CB 4.16Å; I348-Y395 HydrophobicContact CD1-CD2 3.72Å; I348-Y395 HydrophobicContact CD1-CG 3.74Å; I348-Y395 HydrophobicContact CG1-CG 4.3Å; I348-Y395 HydrophobicContact CG2-CD1 3.92Å; I348-Y395 HydrophobicContact CG2-CE1 4.16Å; I348-Y395 HydrophobicContact CG2-CG 4.19Å
349	P	85.3	Confident	84.7	Confident	67 Å²	67	80.8 Å²	80.8	44%	0.435	38%	0.383	S	S	.	.			trans	-54.1	131.9	-175.3	-29.2	34	0	0	0	114	P351 I352 R353	P349-P351 VanDerWaalsContact C-CD 3.43Å; P349-I352 HydrophobicContact CB-CD1 4.05Å; P349-I352 HydrophobicContact CG-CD1 4.12Å; P349-I352 WeakPolarHBondContact O-CB 3.37Å; P349-I352 PolarHBondContact O-N 2.71Å; P349-R353 PolarHBondContact O-N 2.89Å
350	M	86.1	Confident	85.4	Confident	56 Å²	56	71.4 Å²	71.4	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-52.4	-40.8	-172.6	-163.4	55.5	55.9	0	0	115.4	P341 K344 I348 I352 R353 T354	P341-M350 HydrophobicContact CG-SD 3.92Å; K344-M350 HydrophobicContact CB-CE 4.44Å; I348-M350 PolarHBondContact O-N 3.47Å; M350-I352 PolarHBondContact O-N 3.49Å; M350-I352 VanDerWaalsContact O-N 3.13Å; M350-R353 PolarHBondContact O-N 3.4Å; M350-R353 HydrophobicContact SD-CB 4.36Å; M350-T354 PolarHBondContact O-N 3.29Å; M350-T354 PolarHBondContact O-OG1 2.78Å
351	P	86.9	Confident	85.9	Confident	102 Å²	102	65.7 Å²	65.7	66%	0.662	32%	0.319	S	S	*	.	H	α-helix	trans	-59.4	-27.2	178	-25.3	35.8	0	0	0	114.2	P349 R355	P349-P351 VanDerWaalsContact C-CD 3.43Å; P351-R355 WeakPolarHBondContact O-CB 3.36Å; P351-R355 PolarHBondContact O-N 3.33Å
352	I	88.5	Confident	86.4	Confident	30 Å²	30	70.1 Å²	70.1	15%	0.154	34%	0.338	C	S	.	.	H	α-helix	trans	-74.8	-44	176.6	-60.2	166.2	0	0	0	109.6	P349 M350 R355 Y356 R392 Y395	P349-I352 HydrophobicContact CB-CD1 4.05Å; P349-I352 HydrophobicContact CG-CD1 4.12Å; P349-I352 WeakPolarHBondContact O-CB 3.37Å; P349-I352 PolarHBondContact O-N 2.71Å; M350-I352 PolarHBondContact O-N 3.49Å; M350-I352 VanDerWaalsContact O-N 3.13Å; I352-R355 PolarHBondContact O-N 3.13Å; I352-Y356 HydrophobicContact CG2-CD2 3.77Å; I352-Y356 HydrophobicContact CG2-CE2 3.74Å; I352-Y356 WeakPolarHBondContact O-CD2 3.31Å; I352-Y356 PolarHBondContact O-N 2.99Å; I352-R392 VanDerWaalsContact CD1-CZ 3.46Å; I352-Y395 HydrophobicContact CG2-CE1 4.25Å
353	R	90.7	Very high	86.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-42.7	176.7	-61.8	-173.6	64.8	-156.6	-5.8	111.7	P341 R343 I348 P349 M350 Y356 L357 E382 H386 Y395	P341-R353 HydrophobicContact CG-CB 3.66Å; R343-R353 PolarHBondContact O-NH1 3.36Å; I348-R353 HydrophobicContact CB-CG 4.3Å; I348-R353 HydrophobicContact CG2-CG 3.68Å; P349-R353 PolarHBondContact O-N 2.89Å; M350-R353 PolarHBondContact O-N 3.4Å; M350-R353 HydrophobicContact SD-CB 4.36Å; R353-Y356 PolarHBondContact O-N 2.8Å; R353-L357 VanDerWaalsContact O-CB 3.31Å; R353-L357 WeakPolarHBondContact O-CB 2.76Å; R353-L357 PolarHBondContact O-N 2.86Å; R353-E382 WeakPolarHBondContact CB-OE1 3.5Å; R353-E382 IonicContact CZ-OE1 2.66Å; R353-E382 IonicContact CZ-OE2 2.65Å; R353-E382 IonicContact NE-OE1 2.82Å; R353-E382 PolarHBondContact NE-OE1 2.72Å; R353-E382 IonicContact NE-OE2 3.94Å; R353-E382 IonicContact NH2-OE1 3.63Å; R353-E382 PolarHBondContact NH2-OE1 2.85Å; R353-E382 IonicContact NH2-OE2 3.04Å; R353-E382 PolarHBondContact NH2-OE2 2.67Å; R353-H386 VanDerWaalsContact CZ-CD2 3.46Å; R353-Y395 HydrophobicContact CG-CE2 4.45Å
354	T	90.8	Very high	87.5	Confident	34 Å²	34	59.9 Å²	59.9	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-49	171.4	-62.9	0	0	0	0	111.7	R339 M350 Y356 L357 D358	R339-T354 WeakPolarHBondContact O-CG2 3.49Å; R339-T354 PolarHBondContact O-OG1 2.86Å; M350-T354 PolarHBondContact O-N 3.29Å; M350-T354 PolarHBondContact O-OG1 2.78Å; T354-Y356 VanDerWaalsContact C-N 3.28Å; T354-Y356 PolarHBondContact O-N 3.12Å; T354-L357 PolarHBondContact O-N 2.84Å; T354-D358 PolarHBondContact O-N 3.12Å
355	R	90.7	Very high	88.3	Confident	163 Å²	163	54 Å²	54	62%	0.615	27%	0.271	S	S	*	.	H	α-helix	trans	-56.4	-40.5	178	179.1	-179.3	176.2	-174.4	-0.1	112.9	P351 I352 Q359	P351-R355 WeakPolarHBondContact O-CB 3.36Å; P351-R355 PolarHBondContact O-N 3.33Å; I352-R355 PolarHBondContact O-N 3.13Å; R355-Q359 PolarHBondContact O-N 2.8Å
356	Y	92.7	Very high	89	Confident	39 Å²	39	56.6 Å²	56.6	15%	0.153	28%	0.283	C	S	.	.	H	α-helix	trans	-80.7	-31.2	179.1	-75.2	-64.3	0	0	0	113.2	I352 R353 T354 D358 Q359 F360 Y395 L396 V399 L403	I352-Y356 HydrophobicContact CG2-CD2 3.77Å; I352-Y356 HydrophobicContact CG2-CE2 3.74Å; I352-Y356 WeakPolarHBondContact O-CD2 3.31Å; I352-Y356 PolarHBondContact O-N 2.99Å; R353-Y356 PolarHBondContact O-N 2.8Å; T354-Y356 VanDerWaalsContact C-N 3.28Å; T354-Y356 PolarHBondContact O-N 3.12Å; Y356-D358 VanDerWaalsContact C-N 3.32Å; Y356-Q359 PolarHBondContact O-N 3.14Å; Y356-F360 WeakPolarHBondContact O-CD2 3.41Å; Y356-F360 WeakPolarHBondContact O-CG 3.32Å; Y356-F360 PolarHBondContact O-N 2.91Å; Y356-Y395 AromaticContact CD2-CE1 3.85Å; Y356-Y395 HydrophobicContact CD2-CE1 3.85Å; Y356-Y395 HydrophobicContact CE2-CE1 4.47Å; Y356-L396 HydrophobicContact CE2-CD2 3.54Å; Y356-L396 WeakPolarHBondContact OH-CD2 3.24Å; Y356-V399 HydrophobicContact CD1-CG1 3.4Å; Y356-V399 VanDerWaalsContact CD1-CG1 3.4Å; Y356-V399 HydrophobicContact CD2-CG1 4.47Å; Y356-V399 HydrophobicContact CE1-CG1 3.93Å; Y356-V399 HydrophobicContact CG-CG1 3.71Å; Y356-L403 HydrophobicContact CD1-CD1 4.32Å
357	L	93.5	Very high	89.7	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-59.5	-43	168.1	177.7	61.9	0	0	0	111.2	P341 R353 T354 Q359 F360 I361 A378 L379 E382	P341-L357 HydrophobicContact CG-CD2 4.25Å; R353-L357 VanDerWaalsContact O-CB 3.31Å; R353-L357 WeakPolarHBondContact O-CB 2.76Å; R353-L357 PolarHBondContact O-N 2.86Å; T354-L357 PolarHBondContact O-N 2.84Å; L357-Q359 VanDerWaalsContact C-N 3.31Å; L357-Q359 PolarHBondContact O-N 3.37Å; L357-F360 PolarHBondContact O-N 2.91Å; L357-I361 HydrophobicContact CD1-CD1 4.22Å; L357-I361 HydrophobicContact CD1-CG1 4.35Å; L357-I361 HydrophobicContact CG-CD1 3.98Å; L357-I361 WeakPolarHBondContact O-CB 3.48Å; L357-I361 VanDerWaalsContact O-CG1 3.29Å; L357-I361 WeakPolarHBondContact O-CG1 3.24Å; L357-I361 PolarHBondContact O-N 2.94Å; L357-A378 HydrophobicContact CD1-CB 4.35Å; L357-L379 HydrophobicContact CD1-CD2 3.8Å; L357-L379 HydrophobicContact CD1-CG 4.19Å; L357-L379 HydrophobicContact CD2-CD2 3.83Å; L357-L379 HydrophobicContact CG-CD2 4.48Å; L357-E382 HydrophobicContact CB-CG 4.3Å; L357-E382 HydrophobicContact CD1-CB 4.22Å
358	D	92	Very high	90	Very high	45 Å²	45	46.5 Å²	46.5	24%	0.241	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-39.7	175.2	-80.1	-46.5	0	0	0	111.9	R337 T354 Y356 I361 E362	R337-D358 IonicContact CZ-OD1 2.66Å; R337-D358 IonicContact NE-OD1 3.13Å; R337-D358 PolarHBondContact NE-OD1 2.99Å; R337-D358 VanDerWaalsContact NH2-CB 3.33Å; R337-D358 VanDerWaalsContact NH2-CG 3.33Å; R337-D358 PolarHBondContact NH2-O 2.87Å; R337-D358 IonicContact NH2-OD1 2.71Å; R337-D358 PolarHBondContact NH2-OD1 3.34Å; T354-D358 PolarHBondContact O-N 3.12Å; Y356-D358 VanDerWaalsContact C-N 3.32Å; D358-I361 PolarHBondContact O-N 3.47Å; D358-E362 WeakPolarHBondContact O-CB 3.36Å; D358-E362 WeakPolarHBondContact O-CG 3.38Å; D358-E362 PolarHBondContact O-N 3.4Å
359	Q	92.3	Very high	90	Very high	69 Å²	69	55 Å²	55	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-68.9	-37.1	173.3	-69.4	-174.2	-28.9	0	0	113.2	R355 Y356 L357 E362 E363 L403	R355-Q359 PolarHBondContact O-N 2.8Å; Y356-Q359 PolarHBondContact O-N 3.14Å; L357-Q359 VanDerWaalsContact C-N 3.31Å; L357-Q359 PolarHBondContact O-N 3.37Å; Q359-E362 PolarHBondContact O-N 2.94Å; Q359-E363 PolarHBondContact O-N 2.67Å; Q359-E363 VanDerWaalsContact O-N 3.13Å; Q359-L403 HydrophobicContact CB-CD1 4.49Å; Q359-L403 HydrophobicContact CB-CD2 4.39Å
360	F	94.1	Very high	89.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-41.7	172.8	-75.4	-55.8	0	0	0	111.5	Y356 L357 E363 C364 A378 D381 E382 V399 R402 L403 L406	Y356-F360 WeakPolarHBondContact O-CD2 3.41Å; Y356-F360 WeakPolarHBondContact O-CG 3.32Å; Y356-F360 PolarHBondContact O-N 2.91Å; L357-F360 PolarHBondContact O-N 2.91Å; F360-E363 PolarHBondContact O-N 2.81Å; F360-C364 VanDerWaalsContact O-CB 3.28Å; F360-C364 WeakPolarHBondContact O-CB 3.48Å; F360-C364 PolarHBondContact O-N 2.91Å; F360-C364 PolarHBondContact O-SG 3.39Å; F360-A378 HydrophobicContact CB-CB 3.82Å; F360-D381 HydrophobicContact CD1-CB 4.45Å; F360-E382 HydrophobicContact CD2-CB 3.77Å; F360-E382 HydrophobicContact CD2-CG 4.12Å; F360-E382 HydrophobicContact CE2-CB 3.95Å; F360-E382 HydrophobicContact CE2-CG 4.14Å; F360-V399 HydrophobicContact CE2-CG1 4Å; F360-V399 HydrophobicContact CE2-CG2 4.02Å; F360-V399 HydrophobicContact CZ-CB 4.2Å; F360-V399 HydrophobicContact CZ-CG1 3.77Å; F360-V399 HydrophobicContact CZ-CG2 4.03Å; F360-R402 HydrophobicContact CE1-CB 3.92Å; F360-R402 HydrophobicContact CE1-CG 3.78Å; F360-R402 HydrophobicContact CZ-CB 4.14Å; F360-R402 HydrophobicContact CZ-CG 4.26Å; F360-L403 HydrophobicContact CD1-CD2 3.57Å; F360-L403 HydrophobicContact CD1-CG 4.16Å; F360-L403 HydrophobicContact CE1-CD2 3.72Å; F360-L403 HydrophobicContact CE1-CG 3.77Å; F360-L403 HydrophobicContact CG-CD2 4.33Å; F360-L403 HydrophobicContact CZ-CG 4.36Å; F360-L406 HydrophobicContact CD1-CD1 3.53Å; F360-L406 HydrophobicContact CE1-CD1 3.93Å
361	I	92.9	Very high	89.9	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-45.1	174.8	-72.1	167.5	0	0	0	110.4	R337 P338 L357 D358 E363 C364 L365 Y375 A378	R337-I361 HydrophobicContact CG-CD1 4.12Å; R337-I361 HydrophobicContact CG-CG2 4.3Å; P338-I361 HydrophobicContact CB-CD1 4.41Å; L357-I361 HydrophobicContact CD1-CD1 4.22Å; L357-I361 HydrophobicContact CD1-CG1 4.35Å; L357-I361 HydrophobicContact CG-CD1 3.98Å; L357-I361 WeakPolarHBondContact O-CB 3.48Å; L357-I361 VanDerWaalsContact O-CG1 3.29Å; L357-I361 WeakPolarHBondContact O-CG1 3.24Å; L357-I361 PolarHBondContact O-N 2.94Å; D358-I361 PolarHBondContact O-N 3.47Å; I361-E363 PolarHBondContact O-N 3.11Å; I361-C364 PolarHBondContact O-N 3.45Å; I361-L365 HydrophobicContact CG2-CD1 3.64Å; I361-L365 HydrophobicContact CG2-CG 4.17Å; I361-L365 WeakPolarHBondContact O-CB 3.31Å; I361-L365 VanDerWaalsContact O-CG 3.24Å; I361-L365 WeakPolarHBondContact O-CG 3.47Å; I361-L365 PolarHBondContact O-N 2.95Å; I361-Y375 HydrophobicContact CD1-CD1 4.5Å; I361-Y375 HydrophobicContact CG1-CD1 4.26Å; I361-Y375 HydrophobicContact CG2-CD1 3.85Å; I361-Y375 HydrophobicContact CG2-CE1 3.72Å; I361-A378 HydrophobicContact CB-CB 4.35Å; I361-A378 HydrophobicContact CG1-CB 3.6Å
362	E	91.9	Very high	89.9	Confident	98 Å²	98	53.6 Å²	53.6	46%	0.458	26%	0.263	S	S	.	.	H	α-helix	trans	-66.9	-34	-178.2	-79.8	157.2	-152.6	0	0	114.1	R337 D358 Q359 L366	R337-E362 IonicContact CZ-OE1 3.92Å; R337-E362 IonicContact NH1-OE1 3.65Å; R337-E362 PolarHBondContact NH1-OE1 3.45Å; R337-E362 IonicContact NH2-OE1 2.74Å; R337-E362 PolarHBondContact NH2-OE1 2.85Å; D358-E362 WeakPolarHBondContact O-CB 3.36Å; D358-E362 WeakPolarHBondContact O-CG 3.38Å; D358-E362 PolarHBondContact O-N 3.4Å; Q359-E362 PolarHBondContact O-N 2.94Å; E362-L366 WeakPolarHBondContact O-CD1 3.39Å
363	E	91	Very high	89.8	Confident	29 Å²	29	55.7 Å²	55.7	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-78.9	-35.9	171.6	-59.1	-66.7	174.9	0	0	112.1	Q359 F360 I361 L366 I367 L403 L406 K407 K410	Q359-E363 PolarHBondContact O-N 2.67Å; Q359-E363 VanDerWaalsContact O-N 3.13Å; F360-E363 PolarHBondContact O-N 2.81Å; I361-E363 PolarHBondContact O-N 3.11Å; E363-L366 PolarHBondContact O-N 2.89Å; E363-I367 WeakPolarHBondContact O-CG1 3.49Å; E363-L403 HydrophobicContact CG-CD2 4.28Å; E363-L406 HydrophobicContact CB-CB 4.42Å; E363-K407 WeakPolarHBondContact OE1-CE 3.41Å; E363-K407 IonicContact OE1-NZ 3.43Å; E363-K407 PolarHBondContact OE1-NZ 2.73Å; E363-K410 VanDerWaalsContact OE2-CD 3.31Å; E363-K410 WeakPolarHBondContact OE2-CD 3.42Å; E363-K410 WeakPolarHBondContact OE2-CE 3.25Å; E363-K410 IonicContact OE2-NZ 3.8Å; E363-K410 PolarHBondContact OE2-NZ 3.31Å
364	C	91.5	Very high	89.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69.5	-33.5	178.5	-68.1	0	0	0	0	113.2	F360 I361 L366 I367 Y368 A374 A378	F360-C364 VanDerWaalsContact O-CB 3.28Å; F360-C364 WeakPolarHBondContact O-CB 3.48Å; F360-C364 PolarHBondContact O-N 2.91Å; F360-C364 PolarHBondContact O-SG 3.39Å; I361-C364 PolarHBondContact O-N 3.45Å; C364-L366 PolarHBondContact O-N 3.47Å; C364-L366 VanDerWaalsContact O-N 3.11Å; C364-I367 PolarHBondContact O-N 2.84Å; C364-Y368 PolarHBondContact O-N 2.7Å; C364-Y368 VanDerWaalsContact O-N 3.11Å; C364-A374 HydrophobicContact CB-CB 3.99Å; C364-A374 WeakPolarHBondContact CB-O 3.46Å; C364-A378 HydrophobicContact CB-CB 4.41Å
365	L	90.7	Very high	89.9	Confident	62 Å²	62	55.5 Å²	55.5	33%	0.325	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-5.1	172.4	-75	171.1	0	0	0	113.6	I361 P371 A374 Y375	I361-L365 HydrophobicContact CG2-CD1 3.64Å; I361-L365 HydrophobicContact CG2-CG 4.17Å; I361-L365 WeakPolarHBondContact O-CB 3.31Å; I361-L365 VanDerWaalsContact O-CG 3.24Å; I361-L365 WeakPolarHBondContact O-CG 3.47Å; I361-L365 PolarHBondContact O-N 2.95Å; L365-P371 HydrophobicContact CD2-CB 3.8Å; L365-A374 HydrophobicContact CD2-CB 3.8Å; L365-A374 HydrophobicContact CG-CB 4.14Å; L365-Y375 HydrophobicContact CD1-CE1 4.19Å; L365-Y375 HydrophobicContact CD2-CE1 4.11Å; L365-Y375 HydrophobicContact CG-CE1 4.4Å
366	L	88.7	Confident	90	Very high	73 Å²	73	53.6 Å²	53.6	38%	0.382	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	12.8	174.5	-59.2	171.4	0	0	0	112	E362 E363 C364 K410	E362-L366 WeakPolarHBondContact O-CD1 3.39Å; E363-L366 PolarHBondContact O-N 2.89Å; C364-L366 PolarHBondContact O-N 3.47Å; C364-L366 VanDerWaalsContact O-N 3.11Å; L366-K410 HydrophobicContact CB-CD 4.29Å; L366-K410 VanDerWaalsContact CD1-CE 3.47Å; L366-K410 VanDerWaalsContact CD1-NZ 3.25Å
367	I	88.6	Confident	89.9	Confident	28 Å²	28	54.8 Å²	54.8	14%	0.144	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-32.6	178.4	-68.6	170.5	0	0	0	111.3	E363 C364 L406 E409 K410 I413	E363-I367 WeakPolarHBondContact O-CG1 3.49Å; C364-I367 PolarHBondContact O-N 2.84Å; I367-L406 HydrophobicContact CD1-CB 4.33Å; I367-L406 HydrophobicContact CD1-CD2 3.85Å; I367-E409 HydrophobicContact CD1-CB 4.48Å; I367-E409 HydrophobicContact CD1-CG 4.48Å; I367-K410 HydrophobicContact CD1-CB 4.13Å; I367-K410 HydrophobicContact CG1-CB 3.91Å; I367-K410 HydrophobicContact CG1-CG 4.44Å; I367-I413 HydrophobicContact CB-CD1 4.48Å; I367-I413 HydrophobicContact CG2-CD1 3.73Å
368	Y	87.5	Confident	89.9	Confident	79 Å²	79	54.7 Å²	54.7	31%	0.31	27%	0.27	S	S	.	.			trans	-117.7	134.4	-179.5	-63.6	-102.1	0	0	0	111.6	C364 H370 D373 A374 R377	C364-Y368 PolarHBondContact O-N 2.7Å; C364-Y368 VanDerWaalsContact O-N 3.11Å; Y368-H370 VanDerWaalsContact C-N 3.34Å; Y368-H370 PolarHBondContact O-N 2.95Å; Y368-D373 HydrophobicContact CD1-CB 3.65Å; Y368-D373 HydrophobicContact CE1-CB 4.11Å; Y368-D373 HydrophobicContact CG-CB 4.24Å; Y368-A374 HydrophobicContact CD2-CB 4.42Å; Y368-R377 HydrophobicContact CE2-CB 4.01Å; Y368-R377 HydrophobicContact CE2-CG 3.9Å
369	D	82.9	Confident	90	Very high	181 Å²	181	53.8 Å²	53.8	97%	0.968	27%	0.265	S	S	*	.	S	Bend	trans	-62.9	-37.7	175	-63.9	-49.4	0	0	0	113.1
370	H	84.7	Confident	90	Very high	99 Å²	99	54.9 Å²	54.9	46%	0.458	27%	0.27	S	S	.	.	S	Bend	trans	-96.8	120.6	-178	-162.6	3.1	0	0	0	110.8	Y368 S372 D373 A374	Y368-H370 VanDerWaalsContact C-N 3.34Å; Y368-H370 PolarHBondContact O-N 2.95Å; H370-S372 PolarHBondContact O-N 2.69Å; H370-D373 PolarHBondContact O-N 2.92Å; H370-A374 PolarHBondContact O-N 3.38Å
371	P	86.1	Confident	90	Very high	44 Å²	44	55.5 Å²	55.5	29%	0.286	27%	0.274	S	S	.	.	H	α-helix	trans	-57.9	-24	179.6	16.7	-32.3	0	0	0	115	L365 A374 Y375	L365-P371 HydrophobicContact CD2-CB 3.8Å; P371-A374 PolarHBondContact O-N 2.92Å; P371-Y375 HydrophobicContact CB-CD2 4.46Å; P371-Y375 HydrophobicContact CB-CE2 3.88Å; P371-Y375 WeakPolarHBondContact O-CB 3.07Å; P371-Y375 WeakPolarHBondContact O-CD2 3.19Å; P371-Y375 PolarHBondContact O-N 3.26Å
372	S	85.7	Confident	90	Very high	51 Å²	51	55.5 Å²	55.5	36%	0.357	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-48.6	177.6	-162.9	0	0	0	0	112	H370 Y375 K376	H370-S372 PolarHBondContact O-N 2.69Å; S372-Y375 PolarHBondContact O-N 3.28Å; S372-K376 WeakPolarHBondContact O-CB 3.39Å; S372-K376 PolarHBondContact O-N 3.48Å
373	D	88	Confident	90	Very high	75 Å²	75	51.4 Å²	51.4	40%	0.401	26%	0.255	S	S	.	.	H	α-helix	trans	-72.8	-37.3	-179.2	-61.2	-63.5	0	0	0	111.7	Y368 H370 Y375 K376 R377	Y368-D373 HydrophobicContact CD1-CB 3.65Å; Y368-D373 HydrophobicContact CE1-CB 4.11Å; Y368-D373 HydrophobicContact CG-CB 4.24Å; H370-D373 PolarHBondContact O-N 2.92Å; D373-Y375 PolarHBondContact O-N 3.39Å; D373-K376 PolarHBondContact O-N 2.88Å; D373-R377 VanDerWaalsContact O-CB 3.31Å; D373-R377 WeakPolarHBondContact O-CB 3.43Å; D373-R377 PolarHBondContact O-N 3.43Å
374	A	90.7	Very high	90.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-46.3	171.4	0	0	0	0	0	112.3	C364 L365 Y368 H370 P371 A378	C364-A374 HydrophobicContact CB-CB 3.99Å; C364-A374 WeakPolarHBondContact CB-O 3.46Å; L365-A374 HydrophobicContact CD2-CB 3.8Å; L365-A374 HydrophobicContact CG-CB 4.14Å; Y368-A374 HydrophobicContact CD2-CB 4.42Å; H370-A374 PolarHBondContact O-N 3.38Å; P371-A374 PolarHBondContact O-N 2.92Å; A374-A378 VanDerWaalsContact O-CB 3.31Å; A374-A378 WeakPolarHBondContact O-CB 3.38Å; A374-A378 PolarHBondContact O-N 3.25Å
375	Y	92.7	Very high	90.1	Very high	30 Å²	30	52.2 Å²	52.2	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-41.6	177.9	-65.2	-26.4	0	0	0	112.2	V335 R337 P338 I361 L365 P371 S372 D373 L379	V335-Y375 HydrophobicContact CB-CE2 4.35Å; V335-Y375 HydrophobicContact CG1-CD2 3.83Å; V335-Y375 HydrophobicContact CG1-CE2 3.91Å; R337-Y375 HydrophobicContact CB-CE1 4.04Å; R337-Y375 HydrophobicContact CG-CE1 4.02Å; P338-Y375 VanDerWaalsContact CD-CG 3.44Å; P338-Y375 HydrophobicContact CG-CG 4.12Å; I361-Y375 HydrophobicContact CD1-CD1 4.5Å; I361-Y375 HydrophobicContact CG1-CD1 4.26Å; I361-Y375 HydrophobicContact CG2-CD1 3.85Å; I361-Y375 HydrophobicContact CG2-CE1 3.72Å; L365-Y375 HydrophobicContact CD1-CE1 4.19Å; L365-Y375 HydrophobicContact CD2-CE1 4.11Å; L365-Y375 HydrophobicContact CG-CE1 4.4Å; P371-Y375 HydrophobicContact CB-CD2 4.46Å; P371-Y375 HydrophobicContact CB-CE2 3.88Å; P371-Y375 WeakPolarHBondContact O-CB 3.07Å; P371-Y375 WeakPolarHBondContact O-CD2 3.19Å; P371-Y375 PolarHBondContact O-N 3.26Å; S372-Y375 PolarHBondContact O-N 3.28Å; D373-Y375 PolarHBondContact O-N 3.39Å; Y375-L379 WeakPolarHBondContact O-CB 3.28Å; Y375-L379 WeakPolarHBondContact O-CG 3.38Å; Y375-L379 PolarHBondContact O-N 3.47Å; Y375-L379 VanDerWaalsContact O-N 3.09Å
376	K	90.9	Very high	90.1	Very high	122 Å²	122	51.2 Å²	51.2	53%	0.53	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-50.4	176	-178.4	-177.4	170.2	-170.8	0	111.3	S372 D373 A378 L379 E380	S372-K376 WeakPolarHBondContact O-CB 3.39Å; S372-K376 PolarHBondContact O-N 3.48Å; D373-K376 PolarHBondContact O-N 2.88Å; K376-A378 PolarHBondContact O-N 2.86Å; K376-L379 PolarHBondContact O-N 3.2Å; K376-E380 WeakPolarHBondContact CE-OE1 3.44Å; K376-E380 WeakPolarHBondContact O-CG 3.48Å; K376-E380 PolarHBondContact O-N 3.23Å
377	R	92.5	Very high	90.2	Very high	64 Å²	64	52 Å²	52	24%	0.242	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-44.8	177.3	176.7	61.5	153.9	-149.1	-13.1	112.1	Y368 D373 L379 E380 D381 E409	Y368-R377 HydrophobicContact CE2-CB 4.01Å; Y368-R377 HydrophobicContact CE2-CG 3.9Å; D373-R377 VanDerWaalsContact O-CB 3.31Å; D373-R377 WeakPolarHBondContact O-CB 3.43Å; D373-R377 PolarHBondContact O-N 3.43Å; R377-L379 VanDerWaalsContact C-N 3.33Å; R377-L379 PolarHBondContact O-N 3.34Å; R377-E380 PolarHBondContact O-N 2.9Å; R377-D381 IonicContact NE-OD2 2.7Å; R377-D381 PolarHBondContact NE-OD2 2.62Å; R377-D381 WeakPolarHBondContact O-CB 3.21Å; R377-D381 PolarHBondContact O-N 3.2Å; R377-E409 IonicContact CZ-OE1 3.93Å; R377-E409 IonicContact NH2-OE1 2.83Å; R377-E409 PolarHBondContact NH2-OE1 2.77Å; R377-E409 IonicContact NH2-OE2 3.58Å
378	A	93.6	Very high	90.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-37.3	178.7	0	0	0	0	0	112.9	L357 F360 I361 C364 A374 K376 E382	L357-A378 HydrophobicContact CD1-CB 4.35Å; F360-A378 HydrophobicContact CB-CB 3.82Å; I361-A378 HydrophobicContact CB-CB 4.35Å; I361-A378 HydrophobicContact CG1-CB 3.6Å; C364-A378 HydrophobicContact CB-CB 4.41Å; A374-A378 VanDerWaalsContact O-CB 3.31Å; A374-A378 WeakPolarHBondContact O-CB 3.38Å; A374-A378 PolarHBondContact O-N 3.25Å; K376-A378 PolarHBondContact O-N 2.86Å; A378-E382 WeakPolarHBondContact O-CB 3.42Å; A378-E382 PolarHBondContact O-N 2.93Å
379	L	93.3	Very high	90	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-69	-40.8	174.3	-76.8	168.5	0	0	0	112.4	P338 L342 L357 Y375 K376 R377 Q383	P338-L379 HydrophobicContact CB-CD1 4.06Å; P338-L379 HydrophobicContact CB-CD2 4.22Å; P338-L379 HydrophobicContact CB-CG 4.35Å; P338-L379 HydrophobicContact CG-CD1 3.78Å; P338-L379 HydrophobicContact CG-CG 4.34Å; L342-L379 HydrophobicContact CD1-CB 4.09Å; L342-L379 HydrophobicContact CD2-CB 4.19Å; L342-L379 HydrophobicContact CD2-CD1 4.12Å; L342-L379 HydrophobicContact CD2-CD2 4.23Å; L342-L379 HydrophobicContact CD2-CG 4.43Å; L342-L379 HydrophobicContact CG-CB 3.96Å; L342-L379 HydrophobicContact CG-CD2 4.13Å; L342-L379 HydrophobicContact CG-CG 4.49Å; L357-L379 HydrophobicContact CD1-CD2 3.8Å; L357-L379 HydrophobicContact CD1-CG 4.19Å; L357-L379 HydrophobicContact CD2-CD2 3.83Å; L357-L379 HydrophobicContact CG-CD2 4.48Å; Y375-L379 WeakPolarHBondContact O-CB 3.28Å; Y375-L379 WeakPolarHBondContact O-CG 3.38Å; Y375-L379 PolarHBondContact O-N 3.47Å; Y375-L379 VanDerWaalsContact O-N 3.09Å; K376-L379 PolarHBondContact O-N 3.2Å; R377-L379 VanDerWaalsContact C-N 3.33Å; R377-L379 PolarHBondContact O-N 3.34Å; L379-Q383 VanDerWaalsContact O-CB 3.29Å; L379-Q383 WeakPolarHBondContact O-CB 3.43Å; L379-Q383 PolarHBondContact O-N 3Å; L379-Q383 VanDerWaalsContact O-N 3.11Å
380	E	92.8	Very high	90.1	Very high	92 Å²	92	49.8 Å²	49.8	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-65.6	-42.8	175	-72.7	172.8	-178.3	0	0	111.7	K376 R377 Q383 A384	K376-E380 WeakPolarHBondContact CE-OE1 3.44Å; K376-E380 WeakPolarHBondContact O-CG 3.48Å; K376-E380 PolarHBondContact O-N 3.23Å; R377-E380 PolarHBondContact O-N 2.9Å; E380-Q383 PolarHBondContact O-N 3.49Å; E380-A384 VanDerWaalsContact O-CB 3.28Å; E380-A384 WeakPolarHBondContact O-CB 3.4Å; E380-A384 PolarHBondContact O-N 3.03Å
381	D	93.5	Very high	90.4	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-69.1	-41.2	179.9	-84.4	-26.2	0	0	0	113.1	F360 R377 A384 C385 R402	F360-D381 HydrophobicContact CD1-CB 4.45Å; R377-D381 IonicContact NE-OD2 2.7Å; R377-D381 PolarHBondContact NE-OD2 2.62Å; R377-D381 WeakPolarHBondContact O-CB 3.21Å; R377-D381 PolarHBondContact O-N 3.2Å; D381-A384 PolarHBondContact O-N 3.47Å; D381-C385 PolarHBondContact O-N 3.2Å; D381-C385 PolarHBondContact O-SG 2.93Å; D381-R402 HydrophobicContact CB-CG 4.25Å; D381-R402 IonicContact OD1-CZ 3.25Å; D381-R402 VanDerWaalsContact OD1-CZ 3.25Å; D381-R402 IonicContact OD1-NE 2.79Å; D381-R402 PolarHBondContact OD1-NE 3.31Å; D381-R402 IonicContact OD1-NH2 2.87Å; D381-R402 PolarHBondContact OD1-NH2 2.83Å; D381-R402 IonicContact OD2-CZ 3.33Å; D381-R402 IonicContact OD2-NE 3.22Å; D381-R402 PolarHBondContact OD2-NE 3.3Å; D381-R402 IonicContact OD2-NH2 2.79Å; D381-R402 PolarHBondContact OD2-NH2 3.19Å
382	E	93.7	Very high	90.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-44.9	173.2	-166.1	-74.4	154.4	0	0	110.5	P341 R353 L357 F360 A378 A384 C385 H386 Y395	P341-E382 WeakPolarHBondContact CB-OE2 3.48Å; R353-E382 WeakPolarHBondContact CB-OE1 3.5Å; R353-E382 IonicContact CZ-OE1 2.66Å; R353-E382 IonicContact CZ-OE2 2.65Å; R353-E382 IonicContact NE-OE1 2.82Å; R353-E382 PolarHBondContact NE-OE1 2.72Å; R353-E382 IonicContact NE-OE2 3.94Å; R353-E382 IonicContact NH2-OE1 3.63Å; R353-E382 PolarHBondContact NH2-OE1 2.85Å; R353-E382 IonicContact NH2-OE2 3.04Å; R353-E382 PolarHBondContact NH2-OE2 2.67Å; L357-E382 HydrophobicContact CB-CG 4.3Å; L357-E382 HydrophobicContact CD1-CB 4.22Å; F360-E382 HydrophobicContact CD2-CB 3.77Å; F360-E382 HydrophobicContact CD2-CG 4.12Å; F360-E382 HydrophobicContact CE2-CB 3.95Å; F360-E382 HydrophobicContact CE2-CG 4.14Å; A378-E382 WeakPolarHBondContact O-CB 3.42Å; A378-E382 PolarHBondContact O-N 2.93Å; E382-A384 VanDerWaalsContact C-N 3.32Å; E382-A384 PolarHBondContact O-N 2.93Å; E382-C385 PolarHBondContact O-N 3.47Å; E382-H386 WeakPolarHBondContact O-CB 3.32Å; E382-H386 PolarHBondContact O-N 3.15Å; E382-Y395 WeakPolarHBondContact OE1-CE2 3.4Å; E382-Y395 PolarHBondContact OE1-OH 2.67Å
383	Q	90.9	Very high	90.7	Very high	12 Å²	12	55.4 Å²	55.4	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-32.7	179.6	-166.6	59.9	60.1	0	0	111.9	L342 R343 L379 E380 H386 D387	L342-Q383 HydrophobicContact CD1-CB 4.21Å; L342-Q383 HydrophobicContact CD1-CG 4.46Å; R343-Q383 VanDerWaalsContact N-OE1 3.15Å; L379-Q383 VanDerWaalsContact O-CB 3.29Å; L379-Q383 WeakPolarHBondContact O-CB 3.43Å; L379-Q383 PolarHBondContact O-N 3Å; L379-Q383 VanDerWaalsContact O-N 3.11Å; E380-Q383 PolarHBondContact O-N 3.49Å; Q383-H386 PolarHBondContact NE2-CE1 2.82Å; Q383-H386 PolarHBondContact NE2-ND1 2.98Å; Q383-H386 VanDerWaalsContact NE2-ND1 3.11Å; Q383-H386 WeakPolarHBondContact O-CB 3.21Å; Q383-H386 PolarHBondContact O-N 3.06Å; Q383-D387 PolarHBondContact NE2-OD1 2.89Å; Q383-D387 WeakPolarHBondContact O-CB 3.12Å; Q383-D387 VanDerWaalsContact O-CG 3.23Å; Q383-D387 PolarHBondContact O-N 3.23Å
384	A	92.3	Very high	90.8	Very high	39 Å²	39	53.6 Å²	53.6	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-70.9	-32.8	172.5	0	0	0	0	0	113	E380 D381 E382 K388	E380-A384 VanDerWaalsContact O-CB 3.28Å; E380-A384 WeakPolarHBondContact O-CB 3.4Å; E380-A384 PolarHBondContact O-N 3.03Å; D381-A384 PolarHBondContact O-N 3.47Å; E382-A384 VanDerWaalsContact C-N 3.32Å; E382-A384 PolarHBondContact O-N 2.93Å; A384-K388 WeakPolarHBondContact O-CD 3.29Å; A384-K388 VanDerWaalsContact O-CG 3.25Å; A384-K388 WeakPolarHBondContact O-CG 3.31Å; A384-K388 PolarHBondContact O-N 3.12Å
385	C	92.5	Very high	90.9	Very high	7 Å²	7	53.6 Å²	53.6	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-70.4	-37.8	170.4	-65.7	0	0	0	0	111.5	D381 E382 A389 Y395 A398 V399 R402	D381-C385 PolarHBondContact O-N 3.2Å; D381-C385 PolarHBondContact O-SG 2.93Å; E382-C385 PolarHBondContact O-N 3.47Å; C385-A389 WeakPolarHBondContact O-CB 3.49Å; C385-A389 PolarHBondContact O-N 3.14Å; C385-Y395 HydrophobicContact CB-CE2 4.4Å; C385-A398 HydrophobicContact CB-CB 4.23Å; C385-V399 HydrophobicContact CB-CG2 3.69Å; C385-R402 VanDerWaalsContact SG-CB 3.59Å
386	H	91.5	Very high	90.9	Very high	41 Å²	41	53.6 Å²	53.6	19%	0.19	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-50.7	174.2	173.6	-85.1	0	0	0	112.4	R353 E382 Q383 K388 A389 Y395	R353-H386 VanDerWaalsContact CZ-CD2 3.46Å; E382-H386 WeakPolarHBondContact O-CB 3.32Å; E382-H386 PolarHBondContact O-N 3.15Å; Q383-H386 PolarHBondContact NE2-CE1 2.82Å; Q383-H386 PolarHBondContact NE2-ND1 2.98Å; Q383-H386 VanDerWaalsContact NE2-ND1 3.11Å; Q383-H386 WeakPolarHBondContact O-CB 3.21Å; Q383-H386 PolarHBondContact O-N 3.06Å; H386-K388 PolarHBondContact O-N 2.87Å; H386-A389 WeakPolarHBondContact O-CB 3.42Å; H386-A389 PolarHBondContact O-N 2.89Å; H386-Y395 HydrophobicContact CB-CE2 4.38Å
387	D	90.2	Very high	90.9	Very high	88 Å²	88	51.8 Å²	51.8	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-68.6	-21.9	-174.2	-71.3	-1.3	0	0	0	112.6	R343 Q383	R343-D387 IonicContact CZ-OD2 3.32Å; R343-D387 VanDerWaalsContact NH1-CG 3.29Å; R343-D387 IonicContact NH1-OD1 3.4Å; R343-D387 PolarHBondContact NH1-OD1 3.36Å; R343-D387 VanDerWaalsContact NH1-OD1 3.14Å; R343-D387 IonicContact NH1-OD2 2.66Å; R343-D387 PolarHBondContact NH1-OD2 3.01Å; Q383-D387 PolarHBondContact NE2-OD1 2.89Å; Q383-D387 WeakPolarHBondContact O-CB 3.12Å; Q383-D387 VanDerWaalsContact O-CG 3.23Å; Q383-D387 PolarHBondContact O-N 3.23Å
388	K	85.6	Confident	91	Very high	170 Å²	170	49.6 Å²	49.6	74%	0.739	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.3	170.4	-67.9	173.5	-173.2	177.9	0	113.9	A384 H386 G390	A384-K388 WeakPolarHBondContact O-CD 3.29Å; A384-K388 VanDerWaalsContact O-CG 3.25Å; A384-K388 WeakPolarHBondContact O-CG 3.31Å; A384-K388 PolarHBondContact O-N 3.12Å; H386-K388 PolarHBondContact O-N 2.87Å; K388-G390 PolarHBondContact O-N 3.22Å
389	A	86.2	Confident	91	Very high	10 Å²	10	49.6 Å²	49.6	8%	0.083	27%	0.274	C	S	.	.			trans	-94.1	102.9	-168.2	0	0	0	0	0	113.8	I348 C385 H386 S391 A394 Y395	I348-A389 HydrophobicContact CD1-CB 4.16Å; C385-A389 WeakPolarHBondContact O-CB 3.49Å; C385-A389 PolarHBondContact O-N 3.14Å; H386-A389 WeakPolarHBondContact O-CB 3.42Å; H386-A389 PolarHBondContact O-N 2.89Å; A389-S391 VanDerWaalsContact C-N 3.27Å; A389-S391 PolarHBondContact O-N 3.13Å; A389-A394 HydrophobicContact CB-CB 4.39Å; A389-Y395 HydrophobicContact CB-CD2 4.25Å; A389-Y395 HydrophobicContact CB-CG 4.44Å
390	G	85.4	Confident	91	Very high	62 Å²	62	52.1 Å²	52.1	64%	0.639	29%	0.287	S	S	*	.	S	Bend	trans	-65.8	-26.3	170.4	0	0	0	0	0	114.3	K388	K388-G390 PolarHBondContact O-N 3.22Å
391	S	89.8	Confident	91	Very high	59 Å²	59	54 Å²	54	41%	0.413	30%	0.296	S	S	.	.	S	Bend	trans	-147.6	168.9	-175.9	76.7	0	0	0	0	112.4	A389 M393 A394 Y395	A389-S391 VanDerWaalsContact C-N 3.27Å; A389-S391 PolarHBondContact O-N 3.13Å; S391-M393 VanDerWaalsContact C-N 3.28Å; S391-M393 PolarHBondContact O-N 3.19Å; S391-M393 PolarHBondContact OG-N 3.43Å; S391-A394 PolarHBondContact O-N 3.31Å; S391-A394 PolarHBondContact OG-N 3.41Å; S391-Y395 PolarHBondContact O-N 3.06Å
392	R	89.1	Confident	91	Very high	134 Å²	134	55.8 Å²	55.8	51%	0.506	30%	0.301	S	S	.	.	H	α-helix	trans	-53.7	-42.3	173.1	-179.5	-176.3	174.6	138.1	0.4	112.7	I352 Y395 L396	I352-R392 VanDerWaalsContact CD1-CZ 3.46Å; R392-Y395 PolarHBondContact O-N 3.33Å; R392-L396 HydrophobicContact CG-CD1 4.4Å; R392-L396 WeakPolarHBondContact O-CG 3.46Å; R392-L396 PolarHBondContact O-N 2.71Å
393	M	89.2	Confident	91	Very high	120 Å²	120	56.8 Å²	56.8	59%	0.591	31%	0.307	S	S	*	.	H	α-helix	trans	-71.8	-37	-179.3	-165.2	63.7	81.8	0	0	111.5	S391 Y395 L396 N397	S391-M393 VanDerWaalsContact C-N 3.28Å; S391-M393 PolarHBondContact O-N 3.19Å; S391-M393 PolarHBondContact OG-N 3.43Å; M393-Y395 VanDerWaalsContact C-N 3.31Å; M393-Y395 PolarHBondContact O-N 3.41Å; M393-L396 PolarHBondContact O-N 2.96Å; M393-L396 HydrophobicContact SD-CD1 4.24Å; M393-N397 WeakPolarHBondContact O-CB 3.4Å; M393-N397 VanDerWaalsContact O-CG 3.31Å; M393-N397 PolarHBondContact O-N 3.34Å
394	A	90.4	Very high	91.1	Very high	37 Å²	37	63.3 Å²	63.3	31%	0.306	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-40.5	172.6	0	0	0	0	0	111.7	A389 S391 N397 A398	A389-A394 HydrophobicContact CB-CB 4.39Å; S391-A394 PolarHBondContact O-N 3.31Å; S391-A394 PolarHBondContact OG-N 3.41Å; A394-N397 PolarHBondContact O-N 3.01Å; A394-A398 VanDerWaalsContact O-CB 3.28Å; A394-A398 WeakPolarHBondContact O-CB 3.49Å; A394-A398 PolarHBondContact O-N 3.05Å
395	Y	93.7	Very high	91.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-49.2	173.9	178.1	-97.6	0	0	0	112.2	I348 I352 R353 Y356 E382 C385 H386 A389 S391 R392 M393 N397 A398 V399	I348-Y395 HydrophobicContact CD1-CD2 3.72Å; I348-Y395 HydrophobicContact CD1-CG 3.74Å; I348-Y395 HydrophobicContact CG1-CG 4.3Å; I348-Y395 HydrophobicContact CG2-CD1 3.92Å; I348-Y395 HydrophobicContact CG2-CE1 4.16Å; I348-Y395 HydrophobicContact CG2-CG 4.19Å; I352-Y395 HydrophobicContact CG2-CE1 4.25Å; R353-Y395 HydrophobicContact CG-CE2 4.45Å; Y356-Y395 AromaticContact CD2-CE1 3.85Å; Y356-Y395 HydrophobicContact CD2-CE1 3.85Å; Y356-Y395 HydrophobicContact CE2-CE1 4.47Å; E382-Y395 WeakPolarHBondContact OE1-CE2 3.4Å; E382-Y395 PolarHBondContact OE1-OH 2.67Å; C385-Y395 HydrophobicContact CB-CE2 4.4Å; H386-Y395 HydrophobicContact CB-CE2 4.38Å; A389-Y395 HydrophobicContact CB-CD2 4.25Å; A389-Y395 HydrophobicContact CB-CG 4.44Å; S391-Y395 PolarHBondContact O-N 3.06Å; R392-Y395 PolarHBondContact O-N 3.33Å; M393-Y395 VanDerWaalsContact C-N 3.31Å; M393-Y395 PolarHBondContact O-N 3.41Å; Y395-N397 VanDerWaalsContact C-N 3.31Å; Y395-N397 PolarHBondContact O-N 2.82Å; Y395-A398 PolarHBondContact O-N 3.23Å; Y395-V399 HydrophobicContact CD1-CG2 4.23Å; Y395-V399 HydrophobicContact CD2-CG2 4.18Å; Y395-V399 HydrophobicContact CE1-CG2 3.81Å; Y395-V399 HydrophobicContact CE2-CG2 3.79Å; Y395-V399 HydrophobicContact CG-CG2 4.39Å; Y395-V399 WeakPolarHBondContact O-CB 3.16Å; Y395-V399 WeakPolarHBondContact O-CG2 3.32Å; Y395-V399 PolarHBondContact O-N 3.17Å
396	L	92.1	Very high	91	Very high	30 Å²	30	64.2 Å²	64.2	16%	0.157	34%	0.338	C	S	.	.	H	α-helix	trans	-57.6	-44.9	177.4	-69.9	175.2	0	0	0	111.5	Y356 R392 M393 V399 I400	Y356-L396 HydrophobicContact CE2-CD2 3.54Å; Y356-L396 WeakPolarHBondContact OH-CD2 3.24Å; R392-L396 HydrophobicContact CG-CD1 4.4Å; R392-L396 WeakPolarHBondContact O-CG 3.46Å; R392-L396 PolarHBondContact O-N 2.71Å; M393-L396 PolarHBondContact O-N 2.96Å; M393-L396 HydrophobicContact SD-CD1 4.24Å; L396-V399 PolarHBondContact O-N 3.41Å; L396-I400 WeakPolarHBondContact O-CB 3.47Å; L396-I400 WeakPolarHBondContact O-CD1 3.5Å; L396-I400 WeakPolarHBondContact O-CG1 3.4Å; L396-I400 PolarHBondContact O-N 2.89Å
397	N	91.7	Very high	90.9	Very high	84 Å²	84	67.4 Å²	67.4	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-66.1	-43.7	178.1	-70.2	-8.5	0	0	0	112.3	M393 A394 Y395 I400 Q401	M393-N397 WeakPolarHBondContact O-CB 3.4Å; M393-N397 VanDerWaalsContact O-CG 3.31Å; M393-N397 PolarHBondContact O-N 3.34Å; A394-N397 PolarHBondContact O-N 3.01Å; Y395-N397 VanDerWaalsContact C-N 3.31Å; Y395-N397 PolarHBondContact O-N 2.82Å; N397-I400 PolarHBondContact O-N 3.33Å; N397-Q401 WeakPolarHBondContact O-CB 3.46Å; N397-Q401 VanDerWaalsContact O-CG 3.31Å; N397-Q401 WeakPolarHBondContact O-CG 3.36Å; N397-Q401 PolarHBondContact O-N 3.27Å
398	A	93.3	Very high	90.8	Very high	18 Å²	18	65.8 Å²	65.8	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-42.4	176.9	0	0	0	0	0	112	C385 A394 Y395 Q401 R402	C385-A398 HydrophobicContact CB-CB 4.23Å; A394-A398 VanDerWaalsContact O-CB 3.28Å; A394-A398 WeakPolarHBondContact O-CB 3.49Å; A394-A398 PolarHBondContact O-N 3.05Å; Y395-A398 PolarHBondContact O-N 3.23Å; A398-Q401 PolarHBondContact O-N 2.71Å; A398-R402 WeakPolarHBondContact O-CB 3.3Å; A398-R402 PolarHBondContact O-N 2.96Å
399	V	95	Very high	91	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-43.3	176.5	170.2	0	0	0	0	111.7	Y356 F360 C385 Y395 L396 Q401 R402 L403	Y356-V399 HydrophobicContact CD1-CG1 3.4Å; Y356-V399 VanDerWaalsContact CD1-CG1 3.4Å; Y356-V399 HydrophobicContact CD2-CG1 4.47Å; Y356-V399 HydrophobicContact CE1-CG1 3.93Å; Y356-V399 HydrophobicContact CG-CG1 3.71Å; F360-V399 HydrophobicContact CE2-CG1 4Å; F360-V399 HydrophobicContact CE2-CG2 4.02Å; F360-V399 HydrophobicContact CZ-CB 4.2Å; F360-V399 HydrophobicContact CZ-CG1 3.77Å; F360-V399 HydrophobicContact CZ-CG2 4.03Å; C385-V399 HydrophobicContact CB-CG2 3.69Å; Y395-V399 HydrophobicContact CD1-CG2 4.23Å; Y395-V399 HydrophobicContact CD2-CG2 4.18Å; Y395-V399 HydrophobicContact CE1-CG2 3.81Å; Y395-V399 HydrophobicContact CE2-CG2 3.79Å; Y395-V399 HydrophobicContact CG-CG2 4.39Å; Y395-V399 WeakPolarHBondContact O-CB 3.16Å; Y395-V399 WeakPolarHBondContact O-CG2 3.32Å; Y395-V399 PolarHBondContact O-N 3.17Å; L396-V399 PolarHBondContact O-N 3.41Å; V399-Q401 VanDerWaalsContact C-N 3.31Å; V399-Q401 PolarHBondContact O-N 2.99Å; V399-R402 PolarHBondContact O-N 2.78Å; V399-L403 HydrophobicContact CG1-CD1 3.75Å; V399-L403 HydrophobicContact CG1-CG 4.22Å; V399-L403 WeakPolarHBondContact O-CB 3.46Å; V399-L403 WeakPolarHBondContact O-CG 3.21Å; V399-L403 PolarHBondContact O-N 3.26Å
400	I	92.7	Very high	90.9	Very high	79 Å²	79	60.2 Å²	60.2	41%	0.405	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-41.4	175.2	-71.5	164.7	0	0	0	110.7	L396 N397 K404	L396-I400 WeakPolarHBondContact O-CB 3.47Å; L396-I400 WeakPolarHBondContact O-CD1 3.5Å; L396-I400 WeakPolarHBondContact O-CG1 3.4Å; L396-I400 PolarHBondContact O-N 2.89Å; N397-I400 PolarHBondContact O-N 3.33Å; I400-K404 WeakPolarHBondContact O-CB 3.33Å; I400-K404 WeakPolarHBondContact O-CG 3.21Å; I400-K404 PolarHBondContact O-N 3.21Å
401	Q	92.2	Very high	90.7	Very high	132 Å²	132	63.4 Å²	63.4	62%	0.617	32%	0.321	S	S	*	.	H	α-helix	trans	-63.3	-46.9	173.7	-73.7	175.1	1.1	0	0	111.6	N397 A398 V399 K404 C405	N397-Q401 WeakPolarHBondContact O-CB 3.46Å; N397-Q401 VanDerWaalsContact O-CG 3.31Å; N397-Q401 WeakPolarHBondContact O-CG 3.36Å; N397-Q401 PolarHBondContact O-N 3.27Å; A398-Q401 PolarHBondContact O-N 2.71Å; V399-Q401 VanDerWaalsContact C-N 3.31Å; V399-Q401 PolarHBondContact O-N 2.99Å; Q401-K404 WeakPolarHBondContact O-CB 3.32Å; Q401-K404 PolarHBondContact O-N 2.91Å; Q401-C405 PolarHBondContact O-N 3.4Å; Q401-C405 PolarHBondContact O-SG 3.5Å
402	R	94	Very high	90.3	Very high	50 Å²	50	64.3 Å²	64.3	19%	0.189	33%	0.327	C	S	.	.	H	α-helix	trans	-68.3	-37.2	-178.8	-169.8	59.3	178.8	132.8	8.6	112.8	F360 D381 C385 A398 V399 K404 C405 L406 E409	F360-R402 HydrophobicContact CE1-CB 3.92Å; F360-R402 HydrophobicContact CE1-CG 3.78Å; F360-R402 HydrophobicContact CZ-CB 4.14Å; F360-R402 HydrophobicContact CZ-CG 4.26Å; D381-R402 HydrophobicContact CB-CG 4.25Å; D381-R402 IonicContact OD1-CZ 3.25Å; D381-R402 VanDerWaalsContact OD1-CZ 3.25Å; D381-R402 IonicContact OD1-NE 2.79Å; D381-R402 PolarHBondContact OD1-NE 3.31Å; D381-R402 IonicContact OD1-NH2 2.87Å; D381-R402 PolarHBondContact OD1-NH2 2.83Å; D381-R402 IonicContact OD2-CZ 3.33Å; D381-R402 IonicContact OD2-NE 3.22Å; D381-R402 PolarHBondContact OD2-NE 3.3Å; D381-R402 IonicContact OD2-NH2 2.79Å; D381-R402 PolarHBondContact OD2-NH2 3.19Å; C385-R402 VanDerWaalsContact SG-CB 3.59Å; A398-R402 WeakPolarHBondContact O-CB 3.3Å; A398-R402 PolarHBondContact O-N 2.96Å; V399-R402 PolarHBondContact O-N 2.78Å; R402-K404 VanDerWaalsContact C-N 3.35Å; R402-C405 WeakPolarHBondContact O-CB 3.46Å; R402-C405 PolarHBondContact O-N 3.29Å; R402-L406 HydrophobicContact CG-CD1 4.39Å; R402-L406 WeakPolarHBondContact O-CG 3.21Å; R402-L406 PolarHBondContact O-N 2.62Å; R402-E409 IonicContact NH1-OE2 3.57Å
403	L	93.3	Very high	89.8	Confident	21 Å²	21	60.7 Å²	60.7	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-35.1	171.6	-71.8	171.5	0	0	0	112.1	Y356 Q359 F360 E363 V399 K407	Y356-L403 HydrophobicContact CD1-CD1 4.32Å; Q359-L403 HydrophobicContact CB-CD1 4.49Å; Q359-L403 HydrophobicContact CB-CD2 4.39Å; F360-L403 HydrophobicContact CD1-CD2 3.57Å; F360-L403 HydrophobicContact CD1-CG 4.16Å; F360-L403 HydrophobicContact CE1-CD2 3.72Å; F360-L403 HydrophobicContact CE1-CG 3.77Å; F360-L403 HydrophobicContact CG-CD2 4.33Å; F360-L403 HydrophobicContact CZ-CG 4.36Å; E363-L403 HydrophobicContact CG-CD2 4.28Å; V399-L403 HydrophobicContact CG1-CD1 3.75Å; V399-L403 HydrophobicContact CG1-CG 4.22Å; V399-L403 WeakPolarHBondContact O-CB 3.46Å; V399-L403 WeakPolarHBondContact O-CG 3.21Å; V399-L403 PolarHBondContact O-N 3.26Å; L403-K407 WeakPolarHBondContact O-CB 3.44Å; L403-K407 WeakPolarHBondContact O-CG 3.16Å; L403-K407 PolarHBondContact O-N 2.86Å
404	K	92	Very high	88.8	Confident	148 Å²	148	56 Å²	56	64%	0.643	29%	0.294	S	S	*	.	H	α-helix	trans	-63.5	-43	169.3	-77.7	179.6	177.4	-170.9	0	111.5	I400 Q401 R402 K407 A408	I400-K404 WeakPolarHBondContact O-CB 3.33Å; I400-K404 WeakPolarHBondContact O-CG 3.21Å; I400-K404 PolarHBondContact O-N 3.21Å; Q401-K404 WeakPolarHBondContact O-CB 3.32Å; Q401-K404 PolarHBondContact O-N 2.91Å; R402-K404 VanDerWaalsContact C-N 3.35Å; K404-K407 PolarHBondContact O-N 2.73Å; K404-A408 PolarHBondContact O-N 2.69Å
405	C	92.5	Very high	87.7	Confident	65 Å²	65	58.2 Å²	58.2	44%	0.439	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-47.9	174.7	-63.9	0	0	0	0	112.1	Q401 R402 K407 A408 E409	Q401-C405 PolarHBondContact O-N 3.4Å; Q401-C405 PolarHBondContact O-SG 3.5Å; R402-C405 WeakPolarHBondContact O-CB 3.46Å; R402-C405 PolarHBondContact O-N 3.29Å; C405-K407 VanDerWaalsContact C-N 3.32Å; C405-K407 PolarHBondContact O-N 3.06Å; C405-A408 CarbonylContact O-C 3.54Å; C405-A408 WeakPolarHBondContact O-CA 3.5Å; C405-A408 WeakPolarHBondContact O-CB 3.46Å; C405-A408 PolarHBondContact O-N 3.17Å; C405-A408 VanDerWaalsContact O-N 3.09Å; C405-E409 WeakPolarHBondContact O-CB 3.36Å; C405-E409 PolarHBondContact O-N 3.42Å
406	L	91.1	Very high	85.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-37.4	178.8	-72.2	165.4	0	0	0	111.9	F360 E363 I367 R402 A408 E409 K410	F360-L406 HydrophobicContact CD1-CD1 3.53Å; F360-L406 HydrophobicContact CE1-CD1 3.93Å; E363-L406 HydrophobicContact CB-CB 4.42Å; I367-L406 HydrophobicContact CD1-CB 4.33Å; I367-L406 HydrophobicContact CD1-CD2 3.85Å; R402-L406 HydrophobicContact CG-CD1 4.39Å; R402-L406 WeakPolarHBondContact O-CG 3.21Å; R402-L406 PolarHBondContact O-N 2.62Å; L406-A408 VanDerWaalsContact C-N 3.31Å; L406-A408 PolarHBondContact O-N 2.91Å; L406-E409 PolarHBondContact O-N 3.41Å; L406-K410 WeakPolarHBondContact O-CB 3.42Å; L406-K410 PolarHBondContact O-N 2.89Å
407	K	89.9	Confident	83.6	Confident	109 Å²	109	66.8 Å²	66.8	47%	0.474	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-31.9	172.6	-76	179.6	175.1	-172.2	0	113.3	E363 L403 K404 C405 K411	E363-K407 WeakPolarHBondContact OE1-CE 3.41Å; E363-K407 IonicContact OE1-NZ 3.43Å; E363-K407 PolarHBondContact OE1-NZ 2.73Å; L403-K407 WeakPolarHBondContact O-CB 3.44Å; L403-K407 WeakPolarHBondContact O-CG 3.16Å; L403-K407 PolarHBondContact O-N 2.86Å; K404-K407 PolarHBondContact O-N 2.73Å; C405-K407 VanDerWaalsContact C-N 3.32Å; C405-K407 PolarHBondContact O-N 3.06Å; K407-K411 WeakPolarHBondContact O-CB 3.27Å; K407-K411 PolarHBondContact O-N 3.11Å
408	A	88.3	Confident	81	Confident	53 Å²	53	71.4 Å²	71.4	44%	0.438	37%	0.368	S	S	.	.	H	α-helix	trans	-72.3	-47.2	171.8	0	0	0	0	0	111.7	K404 C405 L406 K410 K411 S412	K404-A408 PolarHBondContact O-N 2.69Å; C405-A408 CarbonylContact O-C 3.54Å; C405-A408 WeakPolarHBondContact O-CA 3.5Å; C405-A408 WeakPolarHBondContact O-CB 3.46Å; C405-A408 PolarHBondContact O-N 3.17Å; C405-A408 VanDerWaalsContact O-N 3.09Å; L406-A408 VanDerWaalsContact C-N 3.31Å; L406-A408 PolarHBondContact O-N 2.91Å; A408-K410 VanDerWaalsContact C-N 3.34Å; A408-K410 PolarHBondContact O-N 3.15Å; A408-K411 CarbonylContact O-C 3.38Å; A408-K411 WeakPolarHBondContact O-CA 3.4Å; A408-K411 PolarHBondContact O-N 3.07Å; A408-S412 PolarHBondContact O-N 3.18Å; A408-S412 PolarHBondContact O-OG 2.91Å
409	E	88.2	Confident	78.2	Confident	53 Å²	53	75 Å²	75	25%	0.248	39%	0.391	C	S	.	.	H	α-helix	trans	-53.9	-49.5	174.9	-168.2	169.4	169.5	0	0	110.5	I367 R377 R402 C405 L406 K411 S412 I413	I367-E409 HydrophobicContact CD1-CB 4.48Å; I367-E409 HydrophobicContact CD1-CG 4.48Å; R377-E409 IonicContact CZ-OE1 3.93Å; R377-E409 IonicContact NH2-OE1 2.83Å; R377-E409 PolarHBondContact NH2-OE1 2.77Å; R377-E409 IonicContact NH2-OE2 3.58Å; R402-E409 IonicContact NH1-OE2 3.57Å; C405-E409 WeakPolarHBondContact O-CB 3.36Å; C405-E409 PolarHBondContact O-N 3.42Å; L406-E409 PolarHBondContact O-N 3.41Å; E409-K411 PolarHBondContact O-N 3.15Å; E409-S412 PolarHBondContact O-N 3.34Å; E409-I413 WeakPolarHBondContact O-CG1 3.37Å; E409-I413 PolarHBondContact O-N 2.76Å
410	K	85	Confident	75.1	Confident	10 Å²	10	85.1 Å²	85.1	4%	0.043	44%	0.435	C	S	.	.	H	α-helix	trans	-57.4	-41.9	171.5	-179.5	-176.7	-173.3	-165.4	0	113.7	E363 L366 I367 L406 A408 Q414 N446	E363-K410 VanDerWaalsContact OE2-CD 3.31Å; E363-K410 WeakPolarHBondContact OE2-CD 3.42Å; E363-K410 WeakPolarHBondContact OE2-CE 3.25Å; E363-K410 IonicContact OE2-NZ 3.8Å; E363-K410 PolarHBondContact OE2-NZ 3.31Å; L366-K410 HydrophobicContact CB-CD 4.29Å; L366-K410 VanDerWaalsContact CD1-CE 3.47Å; L366-K410 VanDerWaalsContact CD1-NZ 3.25Å; I367-K410 HydrophobicContact CD1-CB 4.13Å; I367-K410 HydrophobicContact CG1-CB 3.91Å; I367-K410 HydrophobicContact CG1-CG 4.44Å; L406-K410 WeakPolarHBondContact O-CB 3.42Å; L406-K410 PolarHBondContact O-N 2.89Å; A408-K410 VanDerWaalsContact C-N 3.34Å; A408-K410 PolarHBondContact O-N 3.15Å; K410-Q414 VanDerWaalsContact CG-NE2 3.33Å; K410-Q414 WeakPolarHBondContact O-CB 3.16Å; K410-Q414 WeakPolarHBondContact O-CG 3.32Å; K410-Q414 PolarHBondContact O-N 3.31Å; K410-Q414 PolarHBondContact O-NE2 2.98Å; K410-N446 WeakPolarHBondContact CE-OD1 3.06Å; K410-N446 PolarHBondContact NZ-OD1 2.95Å
411	K	82.2	Confident	72.3	Confident	129 Å²	129	88.4 Å²	88.4	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-70.1	-36.3	175.8	-179.4	167.8	-179.3	174.3	0	111.6	K407 A408 E409 L415	K407-K411 WeakPolarHBondContact O-CB 3.27Å; K407-K411 PolarHBondContact O-N 3.11Å; A408-K411 CarbonylContact O-C 3.38Å; A408-K411 WeakPolarHBondContact O-CA 3.4Å; A408-K411 PolarHBondContact O-N 3.07Å; E409-K411 PolarHBondContact O-N 3.15Å; K411-L415 HydrophobicContact CD-CD1 4.48Å; K411-L415 HydrophobicContact CG-CD1 3.79Å; K411-L415 WeakPolarHBondContact O-CB 3.45Å; K411-L415 WeakPolarHBondContact O-CD1 3.32Å; K411-L415 PolarHBondContact O-N 2.82Å
412	S	80.6	Confident	69.2	Low	78 Å²	78	87 Å²	87	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-70.4	-41.4	179	-67.3	0	0	0	0	113.6	A408 E409 Q414 L415 G416	A408-S412 PolarHBondContact O-N 3.18Å; A408-S412 PolarHBondContact O-OG 2.91Å; E409-S412 PolarHBondContact O-N 3.34Å; S412-Q414 VanDerWaalsContact C-N 3.33Å; S412-L415 CarbonylContact O-C 3.56Å; S412-L415 PolarHBondContact O-N 2.97Å; S412-G416 PolarHBondContact O-N 3.04Å
413	I	77.7	Confident	66.4	Low	58 Å²	58	94.3 Å²	94.3	30%	0.297	49%	0.49	S	S	.	.	H	α-helix	trans	-61.6	-46.7	174.9	-68.8	163.7	0	0	0	109.7	I367 E409 L415 G416 E417	I367-I413 HydrophobicContact CB-CD1 4.48Å; I367-I413 HydrophobicContact CG2-CD1 3.73Å; E409-I413 WeakPolarHBondContact O-CG1 3.37Å; E409-I413 PolarHBondContact O-N 2.76Å; I413-L415 VanDerWaalsContact C-N 3.32Å; I413-L415 PolarHBondContact O-N 3.5Å; I413-G416 PolarHBondContact O-N 3.39Å; I413-E417 HydrophobicContact CG2-CG 4.38Å; I413-E417 PolarHBondContact O-N 3.24Å
414	Q	69	Low	63.5	Low	22 Å²	22	97.9 Å²	97.9	10%	0.103	52%	0.517	C	S	.	.	H	α-helix	trans	-56.2	-44.2	175.2	-76.6	172.6	37.9	0	0	112.7	K410 S412 G416 S443 N445	K410-Q414 VanDerWaalsContact CG-NE2 3.33Å; K410-Q414 WeakPolarHBondContact O-CB 3.16Å; K410-Q414 WeakPolarHBondContact O-CG 3.32Å; K410-Q414 PolarHBondContact O-N 3.31Å; K410-Q414 PolarHBondContact O-NE2 2.98Å; S412-Q414 VanDerWaalsContact C-N 3.33Å; Q414-G416 PolarHBondContact O-N 3.13Å; Q414-S443 CarbonylContact O-C 3.59Å; Q414-N445 HydrophobicContact CG-CB 4.03Å; Q414-N445 VanDerWaalsContact NE2-CB 3.33Å; Q414-N445 VanDerWaalsContact OE1-N 3.1Å
415	L	66.4	Low	60.6	Low	83 Å²	83	99 Å²	99	44%	0.435	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.2	174.4	-82.1	157.1	0	0	0	115.4	K411 S412 I413 Y441 D442	K411-L415 HydrophobicContact CD-CD1 4.48Å; K411-L415 HydrophobicContact CG-CD1 3.79Å; K411-L415 WeakPolarHBondContact O-CB 3.45Å; K411-L415 WeakPolarHBondContact O-CD1 3.32Å; K411-L415 PolarHBondContact O-N 2.82Å; S412-L415 CarbonylContact O-C 3.56Å; S412-L415 PolarHBondContact O-N 2.97Å; I413-L415 VanDerWaalsContact C-N 3.32Å; I413-L415 PolarHBondContact O-N 3.5Å; L415-Y441 VanDerWaalsContact CD2-C 3.5Å; L415-Y441 VanDerWaalsContact CD2-O 3.24Å; L415-Y441 WeakPolarHBondContact CD2-O 3.33Å; L415-D442 WeakPolarHBondContact CA-O 3.35Å; L415-D442 VanDerWaalsContact CD2-C 3.45Å; L415-D442 VanDerWaalsContact CD2-N 3.34Å
416	G	55.9	Low	57.7	Low	45 Å²	45	100.7 Å²	100.7	46%	0.464	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-27.1	-164.2	0	0	0	0	0	117.1	S412 I413 Q414 K418	S412-G416 PolarHBondContact O-N 3.04Å; I413-G416 PolarHBondContact O-N 3.39Å; Q414-G416 PolarHBondContact O-N 3.13Å; G416-K418 VanDerWaalsContact C-N 3.29Å; G416-K418 PolarHBondContact O-N 3.06Å
417	E	45.2	Very low	54.8	Low	165 Å²	165	107.3 Å²	107.3	77%	0.771	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	57.6	-160.8	-67.2	-167.6	146.8	0	0	115.6	I413	I413-E417 HydrophobicContact CG2-CG 4.38Å; I413-E417 PolarHBondContact O-N 3.24Å
418	K	35.6	Very low	52	Low	182 Å²	182	108.6 Å²	108.6	79%	0.791	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	16.3	163.4	-79.5	-177	-178.7	164.5	0	114.7	G416	G416-K418 VanDerWaalsContact C-N 3.29Å; G416-K418 PolarHBondContact O-N 3.06Å
419	S	35.2	Very low	49.4	Very low	92 Å²	92	112 Å²	112	64%	0.643	62%	0.621	S	S	*	*	S	Bend	trans	-156.7	148.4	160.6	60.7	0	0	0	0	113.7	I421	S419-I421 PolarHBondContact O-N 3.05Å
420	K	29.9	Very low	46.5	Very low	213 Å²	213	115.5 Å²	115.5	93%	0.926	65%	0.649	S	S	*	*			trans	-82.8	105.1	178.2	-64.1	177.3	-178.4	177.8	0	110.5
421	I	34.1	Very low	44	Very low	148 Å²	148	121 Å²	121	76%	0.759	69%	0.686	S	S	*	*			trans	-133.8	108.7	167.3	-56.6	-178	0	0	0	109.8	S419	S419-I421 PolarHBondContact O-N 3.05Å
422	S	28	Very low	41.5	Very low	102 Å²	102	119.1 Å²	119.1	71%	0.713	70%	0.695	S	S	*	*			trans	-81.2	131.1	164.5	53.2	0	0	0	0	110.1
423	F	35.1	Very low	39.4	Very low	204 Å²	204	123 Å²	123	90%	0.895	71%	0.707	S	S	*	*			trans	-163.4	173.1	143.9	-108.2	-65.2	0	0	0	112
424	S	32.2	Very low	37.2	Very low	96 Å²	96	126.6 Å²	126.6	67%	0.671	73%	0.732	S	S	*	*			trans	-101.6	137.8	-154.6	53.9	0	0	0	0	116
425	L	29.6	Very low	35.4	Very low	173 Å²	173	131.3 Å²	131.3	91%	0.906	77%	0.768	S	S	*	*			trans	10.5	105.7	145.9	-171.6	73.8	0	0	0	117.4
426	A	31.9	Very low	33.9	Very low	100 Å²	100	132.4 Å²	132.4	83%	0.826	78%	0.782	S	S	*	*			trans	-142.9	147.5	159.6	0	0	0	0	0	110.5
427	V	30.4	Very low	32.9	Very low	139 Å²	139	138.3 Å²	138.3	84%	0.842	80%	0.797	S	S	*	*			trans	-100.4	135.5	-179.2	173.7	0	0	0	0	109.8
428	V	32.3	Very low	32.3	Very low	135 Å²	135	137.2 Å²	137.2	82%	0.818	80%	0.796	S	S	*	*			trans	-166.2	156.9	146.2	129.5	0	0	0	0	111.8
429	T	33.8	Very low	32.1	Very low	126 Å²	126	133.4 Å²	133.4	77%	0.773	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79	142.9	-178.3	44	0	0	0	0	114.7
430	C	27.2	Very low	32.1	Very low	125 Å²	125	133.6 Å²	133.6	85%	0.845	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-83.8	136.1	170	-52	0	0	0	0	112.4
431	P	31.5	Very low	32.5	Very low	126 Å²	126	131.4 Å²	131.4	82%	0.818	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-81.9	169.8	159.9	35	-32.9	0	0	0	111.3
432	A	30.2	Very low	32.9	Very low	90 Å²	90	127 Å²	127	74%	0.744	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-102.8	154.3	172.6	0	0	0	0	0	111.2
433	I	35.4	Very low	33.7	Very low	159 Å²	159	123.7 Å²	123.7	82%	0.815	74%	0.742	S	S	*	*			trans	178.6	135.1	141.4	-98.2	156.6	0	0	0	112.2
434	T	32.6	Very low	34.1	Very low	134 Å²	134	118.8 Å²	118.8	82%	0.822	73%	0.725	S	S	*	*			trans	49.7	144.5	163.1	53.3	0	0	0	0	123.2
435	S	30	Very low	34.6	Very low	120 Å²	120	117.9 Å²	117.9	84%	0.839	71%	0.712	S	S	*	*			trans	-83.8	135.8	169.2	175.2	0	0	0	0	112.3
436	S	35.3	Very low	35.4	Very low	106 Å²	106	111.2 Å²	111.2	74%	0.741	68%	0.678	S	S	*	*			trans	-171.1	127.3	147.1	56.7	0	0	0	0	113.3
437	H	35.1	Very low	36.3	Very low	170 Å²	170	107.4 Å²	107.4	79%	0.787	64%	0.644	S	S	*	*			trans	68.7	145.7	151.4	-119.8	-109.4	0	0	0	121.2
438	L	33.1	Very low	37.3	Very low	142 Å²	142	107.9 Å²	107.9	74%	0.743	64%	0.635	S	S	*	*			trans	57.2	107.7	166.6	-61.7	138.7	0	0	0	116.4
439	S	31.7	Very low	38.3	Very low	102 Å²	102	108.2 Å²	108.2	71%	0.713	63%	0.625	S	S	*	*			cis	96.1	138.6	47.6	70.8	0	0	0	0	114.5
440	A	34	Very low	39.6	Very low	96 Å²	96	106.4 Å²	106.4	79%	0.793	61%	0.611	S	S	*	*			trans	85.6	111.3	163.1	0	0	0	0	0	120.7
441	Y	40.1	Very low	41.8	Very low	167 Å²	167	102.8 Å²	102.8	66%	0.655	58%	0.583	S	S	*	*				90.6	99.5	115.5	-165.5	-104.2	0	0	0	122.1	L415	L415-Y441 VanDerWaalsContact CD2-C 3.5Å; L415-Y441 VanDerWaalsContact CD2-O 3.24Å; L415-Y441 WeakPolarHBondContact CD2-O 3.33Å
442	D	41.1	Very low	43.8	Very low	54 Å²	54	98.9 Å²	98.9	29%	0.289	56%	0.562	S	S	.	*				103.7	86.7	124.5	-130.9	41.7	0	0	0	125.9	L415	L415-D442 WeakPolarHBondContact CA-O 3.35Å; L415-D442 VanDerWaalsContact CD2-C 3.45Å; L415-D442 VanDerWaalsContact CD2-N 3.34Å
443	S	46	Very low	46.1	Very low	34 Å²	34	98.3 Å²	98.3	24%	0.238	54%	0.543	C	S	.	.				54.1	141.8	107.9	-47.4	0	0	0	0	124.6	Q414 T447	Q414-S443 CarbonylContact O-C 3.59Å; S443-T447 WeakPolarHBondContact OG-CG2 3.22Å
444	N	43	Very low	48.1	Very low	100 Å²	100	96.7 Å²	96.7	54%	0.535	53%	0.532	S	S	.	.	S	Bend		-176.1	3.2	122.4	-105.2	-69.1	0	0	0	118.7	T447	N444-T447 VanDerWaalsContact CA-OG1 3.27Å; N444-T447 WeakPolarHBondContact CA-OG1 3.49Å
445	N	43.3	Very low	50.3	Low	77 Å²	77	96.8 Å²	96.8	41%	0.412	52%	0.521	S	S	.	.	S	Bend	trans	-142.7	-21.2	-179.8	-112.6	-15.4	0	0	0	116.9	Q414 T447	Q414-N445 HydrophobicContact CG-CB 4.03Å; Q414-N445 VanDerWaalsContact NE2-CB 3.33Å; Q414-N445 VanDerWaalsContact OE1-N 3.1Å; N445-T447 VanDerWaalsContact C-N 3.33Å; N445-T447 PolarHBondContact N-OG1 2.89Å
446	N	46.5	Very low	52.7	Low	34 Å²	34	92.7 Å²	92.7	18%	0.182	49%	0.49	C	S	.	.	S	Bend	trans	-73.4	-34	155.1	-76.5	-49.1	0	0	0	109.4	K410 K448 K449 D450	K410-N446 WeakPolarHBondContact CE-OD1 3.06Å; K410-N446 PolarHBondContact NZ-OD1 2.95Å; N446-K448 PolarHBondContact O-N 3.13Å; N446-K449 CarbonylContact O-C 3.49Å; N446-K449 WeakPolarHBondContact O-CA 3.45Å; N446-K449 WeakPolarHBondContact O-CB 3.37Å; N446-K449 PolarHBondContact O-N 3.33Å; N446-D450 WeakPolarHBondContact CB-OD2 3.38Å; N446-D450 PolarHBondContact O-N 3.3Å
447	T	50.5	Low	54.9	Low	20 Å²	20	90.1 Å²	90.1	12%	0.123	47%	0.468	C	S	.	.	H	α-helix	trans	-49	-51.3	178.2	42.5	0	0	0	0	113	S443 N444 N445 K449 D450 D451	S443-T447 WeakPolarHBondContact OG-CG2 3.22Å; N444-T447 VanDerWaalsContact CA-OG1 3.27Å; N444-T447 WeakPolarHBondContact CA-OG1 3.49Å; N445-T447 VanDerWaalsContact C-N 3.33Å; N445-T447 PolarHBondContact N-OG1 2.89Å; T447-K449 CarbonylContact O-C 3.59Å; T447-K449 PolarHBondContact O-N 3.22Å; T447-D450 CarbonylContact O-C 3.38Å; T447-D450 PolarHBondContact O-N 2.88Å; T447-D451 VanDerWaalsContact C-OD1 3.29Å; T447-D451 WeakPolarHBondContact CA-OD1 3.48Å; T447-D451 WeakPolarHBondContact CB-OD1 3.45Å; T447-D451 WeakPolarHBondContact O-CA 3.46Å; T447-D451 WeakPolarHBondContact O-CB 3.44Å; T447-D451 PolarHBondContact O-N 2.76Å
448	K	49.8	Very low	56.9	Low	148 Å²	148	86 Å²	86	64%	0.643	46%	0.457	S	S	*	.	H	α-helix	trans	-54.3	-19.1	177.9	-69.6	177.8	-177.2	164.7	0	115.3	N446 A452	N446-K448 PolarHBondContact O-N 3.13Å; K448-A452 WeakPolarHBondContact O-CB 3.39Å
449	K	53.5	Low	59	Low	142 Å²	142	82.6 Å²	82.6	62%	0.617	44%	0.44	S	S	*	.	H	α-helix	trans	-93.8	-45.1	166.9	-175.1	179.1	176.7	-177.9	0	112.9	N446 T447 A452 E453	N446-K449 CarbonylContact O-C 3.49Å; N446-K449 WeakPolarHBondContact O-CA 3.45Å; N446-K449 WeakPolarHBondContact O-CB 3.37Å; N446-K449 PolarHBondContact O-N 3.33Å; T447-K449 CarbonylContact O-C 3.59Å; T447-K449 PolarHBondContact O-N 3.22Å; K449-A452 CarbonylContact O-C 3.6Å; K449-A452 WeakPolarHBondContact O-CB 3.46Å; K449-A452 PolarHBondContact O-N 3.03Å; K449-A452 VanDerWaalsContact O-N 3.12Å; K449-E453 WeakPolarHBondContact O-CB 3.4Å; K449-E453 PolarHBondContact O-N 3.36Å
450	D	62.6	Low	61.3	Low	88 Å²	88	77.9 Å²	77.9	47%	0.471	41%	0.406	S	S	.	.	H	α-helix	trans	-64.6	-47.8	179.6	-56.6	-24.3	0	0	0	110.7	N446 T447 A452 E453 E454	N446-D450 WeakPolarHBondContact CB-OD2 3.38Å; N446-D450 PolarHBondContact O-N 3.3Å; T447-D450 CarbonylContact O-C 3.38Å; T447-D450 PolarHBondContact O-N 2.88Å; D450-A452 PolarHBondContact O-N 2.9Å; D450-A452 VanDerWaalsContact O-N 3.14Å; D450-E453 CarbonylContact O-C 3.56Å; D450-E453 WeakPolarHBondContact O-CB 3.48Å; D450-E453 PolarHBondContact O-N 3.19Å; D450-E453 VanDerWaalsContact O-N 3.12Å; D450-E454 VanDerWaalsContact O-CB 3.25Å; D450-E454 WeakPolarHBondContact O-CB 3.33Å; D450-E454 PolarHBondContact O-N 2.79Å
451	D	72.4	Confident	63.4	Low	50 Å²	50	76.7 Å²	76.7	27%	0.267	38%	0.383	S	S	.	.	H	α-helix	trans	-50.4	-34.2	167.2	-49.2	-12.7	0	0	0	112.4	T447 K455	T447-D451 VanDerWaalsContact C-OD1 3.29Å; T447-D451 WeakPolarHBondContact CA-OD1 3.48Å; T447-D451 WeakPolarHBondContact CB-OD1 3.45Å; T447-D451 WeakPolarHBondContact O-CA 3.46Å; T447-D451 WeakPolarHBondContact O-CB 3.44Å; T447-D451 PolarHBondContact O-N 2.76Å; D451-K455 WeakPolarHBondContact O-CB 3.49Å; D451-K455 WeakPolarHBondContact O-CD 3.44Å; D451-K455 WeakPolarHBondContact O-CG 3.36Å; D451-K455 PolarHBondContact O-N 3.38Å
452	A	74.4	Confident	65	Low	44 Å²	44	69.4 Å²	69.4	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-84.4	-34.9	-178.6	0	0	0	0	0	111.8	K448 K449 D450 L456	K448-A452 WeakPolarHBondContact O-CB 3.39Å; K449-A452 CarbonylContact O-C 3.6Å; K449-A452 WeakPolarHBondContact O-CB 3.46Å; K449-A452 PolarHBondContact O-N 3.03Å; K449-A452 VanDerWaalsContact O-N 3.12Å; D450-A452 PolarHBondContact O-N 2.9Å; D450-A452 VanDerWaalsContact O-N 3.14Å; A452-L456 WeakPolarHBondContact O-CB 3.37Å; A452-L456 WeakPolarHBondContact O-CD1 3.44Å; A452-L456 VanDerWaalsContact O-CG 3.24Å; A452-L456 WeakPolarHBondContact O-CG 3.39Å; A452-L456 PolarHBondContact O-N 2.93Å
453	E	78.2	Confident	66.3	Low	77 Å²	77	71 Å²	71	36%	0.36	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-41.2	169.5	-171.5	79.6	-128.8	0	0	110.7	K449 D450 D457 K774 R778	K449-E453 WeakPolarHBondContact O-CB 3.4Å; K449-E453 PolarHBondContact O-N 3.36Å; D450-E453 CarbonylContact O-C 3.56Å; D450-E453 WeakPolarHBondContact O-CB 3.48Å; D450-E453 PolarHBondContact O-N 3.19Å; D450-E453 VanDerWaalsContact O-N 3.12Å; E453-D457 PolarHBondContact O-N 3.05Å; E453-K774 WeakPolarHBondContact O-CE 3.5Å; E453-K774 PolarHBondContact O-NZ 3.02Å; E453-K774 WeakPolarHBondContact OE1-CE 3.39Å; E453-K774 IonicContact OE1-NZ 2.68Å; E453-K774 PolarHBondContact OE1-NZ 3.06Å; E453-R778 IonicContact OE1-CZ 3.38Å; E453-R778 IonicContact OE1-NH2 3.38Å; E453-R778 PolarHBondContact OE1-NH2 2.86Å; E453-R778 IonicContact OE2-NH2 3.74Å; E453-R778 PolarHBondContact OE2-NH2 3.34Å
454	E	77.4	Confident	67.9	Low	125 Å²	125	73.9 Å²	73.9	58%	0.584	38%	0.384	S	S	*	.	H	α-helix	trans	-70.5	-49.1	176.3	-177.6	175.5	-166.1	0	0	111.7	D450 L456 D457 C458	D450-E454 VanDerWaalsContact O-CB 3.25Å; D450-E454 WeakPolarHBondContact O-CB 3.33Å; D450-E454 PolarHBondContact O-N 2.79Å; E454-L456 VanDerWaalsContact C-N 3.28Å; E454-L456 PolarHBondContact O-N 3.21Å; E454-D457 CarbonylContact O-C 3.59Å; E454-D457 WeakPolarHBondContact O-CA 3.21Å; E454-D457 WeakPolarHBondContact O-CB 3.4Å; E454-D457 PolarHBondContact O-N 3.5Å; E454-C458 PolarHBondContact O-N 3.27Å; E454-C458 PolarHBondContact O-SG 2.93Å; E454-C458 VanDerWaalsContact O-SG 3.37Å
455	K	78.3	Confident	70	Confident	136 Å²	136	69.1 Å²	69.1	59%	0.591	36%	0.359	S	S	*	.	H	α-helix	trans	-56.8	-42.9	172.7	-78.6	161.4	-168.7	159.1	0	111.5	D451 D457 C458 L459	D451-K455 WeakPolarHBondContact O-CB 3.49Å; D451-K455 WeakPolarHBondContact O-CD 3.44Å; D451-K455 WeakPolarHBondContact O-CG 3.36Å; D451-K455 PolarHBondContact O-N 3.38Å; K455-D457 VanDerWaalsContact C-N 3.33Å; K455-D457 PolarHBondContact O-N 3.29Å; K455-C458 PolarHBondContact O-N 3.07Å; K455-L459 WeakPolarHBondContact O-CB 3.3Å; K455-L459 WeakPolarHBondContact O-CG 3.32Å; K455-L459 PolarHBondContact O-N 3.39Å
456	L	80.5	Confident	72.2	Confident	34 Å²	34	68.6 Å²	68.6	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-38.4	173.7	-77.9	169.6	0	0	0	112.1	A452 E454 L459 V460 K774 L777 R778	A452-L456 WeakPolarHBondContact O-CB 3.37Å; A452-L456 WeakPolarHBondContact O-CD1 3.44Å; A452-L456 VanDerWaalsContact O-CG 3.24Å; A452-L456 WeakPolarHBondContact O-CG 3.39Å; A452-L456 PolarHBondContact O-N 2.93Å; E454-L456 VanDerWaalsContact C-N 3.28Å; E454-L456 PolarHBondContact O-N 3.21Å; L456-L459 HydrophobicContact CD2-CD1 4.48Å; L456-V460 WeakPolarHBondContact O-CB 3.23Å; L456-V460 WeakPolarHBondContact O-CG2 3.37Å; L456-V460 PolarHBondContact O-N 3.45Å; L456-K774 HydrophobicContact CB-CD 4.31Å; L456-K774 HydrophobicContact CB-CG 4.08Å; L456-K774 HydrophobicContact CD1-CG 4.31Å; L456-L777 HydrophobicContact CD2-CB 4.05Å; L456-L777 HydrophobicContact CD2-CD1 4Å; L456-R778 HydrophobicContact CD1-CG 3.96Å
457	D	80.8	Confident	74.1	Confident	53 Å²	53	70 Å²	70	28%	0.283	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-43	174.3	-112.1	52.4	0	0	0	112.1	E453 E454 K455 V460 K461 K774	E453-D457 PolarHBondContact O-N 3.05Å; E454-D457 CarbonylContact O-C 3.59Å; E454-D457 WeakPolarHBondContact O-CA 3.21Å; E454-D457 WeakPolarHBondContact O-CB 3.4Å; E454-D457 PolarHBondContact O-N 3.5Å; K455-D457 VanDerWaalsContact C-N 3.33Å; K455-D457 PolarHBondContact O-N 3.29Å; D457-V460 PolarHBondContact O-N 2.9Å; D457-K461 WeakPolarHBondContact O-CB 3.4Å; D457-K461 WeakPolarHBondContact O-CG 3.47Å; D457-K461 PolarHBondContact O-N 2.87Å; D457-K461 WeakPolarHBondContact OD2-CE 3.46Å; D457-K461 IonicContact OD2-NZ 3.14Å; D457-K461 PolarHBondContact OD2-NZ 3.41Å; D457-K774 IonicContact OD1-NZ 3.81Å; D457-K774 PolarHBondContact OD1-NZ 3.06Å
458	C	76.9	Confident	75.8	Confident	83 Å²	83	71.2 Å²	71.2	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-66	-36.6	176.3	-66.9	0	0	0	0	112.7	E454 K455 V460 G462	E454-C458 PolarHBondContact O-N 3.27Å; E454-C458 PolarHBondContact O-SG 2.93Å; E454-C458 VanDerWaalsContact O-SG 3.37Å; K455-C458 PolarHBondContact O-N 3.07Å; C458-V460 VanDerWaalsContact C-N 3.34Å; C458-G462 VanDerWaalsContact O-CA 3.32Å; C458-G462 WeakPolarHBondContact O-CA 3.41Å; C458-G462 PolarHBondContact O-N 2.86Å
459	L	77.7	Confident	77.8	Confident	71 Å²	71	64.2 Å²	64.2	37%	0.372	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-41.5	171.6	-72.5	171.9	0	0	0	111.6	K455 L456 L464 L465	K455-L459 WeakPolarHBondContact O-CB 3.3Å; K455-L459 WeakPolarHBondContact O-CG 3.32Å; K455-L459 PolarHBondContact O-N 3.39Å; L456-L459 HydrophobicContact CD2-CD1 4.48Å; L459-L464 HydrophobicContact CD2-CB 4.39Å; L459-L464 HydrophobicContact CD2-CD1 3.43Å; L459-L464 VanDerWaalsContact CD2-CD1 3.43Å; L459-L465 PolarHBondContact O-N 3.34Å
460	V	80.8	Confident	79.5	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-85.7	-19.7	-172.2	168.1	0	0	0	0	113.4	L456 D457 C458 L465 Q770 V773 K774 L777	L456-V460 WeakPolarHBondContact O-CB 3.23Å; L456-V460 WeakPolarHBondContact O-CG2 3.37Å; L456-V460 PolarHBondContact O-N 3.45Å; D457-V460 PolarHBondContact O-N 2.9Å; C458-V460 VanDerWaalsContact C-N 3.34Å; V460-L465 WeakPolarHBondContact O-CD2 3.44Å; V460-Q770 VanDerWaalsContact CG1-CA 3.48Å; V460-Q770 HydrophobicContact CG1-CB 3.34Å; V460-Q770 HydrophobicContact CG1-CG 3.48Å; V460-Q770 VanDerWaalsContact CG1-CG 3.48Å; V460-Q770 WeakPolarHBondContact CG1-O 3.48Å; V460-V773 HydrophobicContact CG2-CB 4.37Å; V460-V773 HydrophobicContact CG2-CG1 3.92Å; V460-K774 HydrophobicContact CG2-CB 4.39Å; V460-L777 HydrophobicContact CG2-CD1 4.15Å
461	K	78	Confident	80.8	Confident	71 Å²	71	58.9 Å²	58.9	31%	0.309	33%	0.329	S	S	.	.	H	α-helix	trans	-102.2	-6.4	171	-67.7	166.6	173.3	168.5	0	113.2	D457	D457-K461 WeakPolarHBondContact O-CB 3.4Å; D457-K461 WeakPolarHBondContact O-CG 3.47Å; D457-K461 PolarHBondContact O-N 2.87Å; D457-K461 WeakPolarHBondContact OD2-CE 3.46Å; D457-K461 IonicContact OD2-NZ 3.14Å; D457-K461 PolarHBondContact OD2-NZ 3.41Å
462	G	72.3	Confident	81.9	Confident	13 Å²	13	58.1 Å²	58.1	13%	0.134	32%	0.322	C	S	.	.	S	Bend	trans	-95	-176.6	-178.7	0	0	0	0	0	113.5	C458 L464 L465	C458-G462 VanDerWaalsContact O-CA 3.32Å; C458-G462 WeakPolarHBondContact O-CA 3.41Å; C458-G462 PolarHBondContact O-N 2.86Å; G462-L464 PolarHBondContact O-N 3.4Å; G462-L464 VanDerWaalsContact O-N 3.12Å; G462-L465 WeakPolarHBondContact O-CB 3.19Å; G462-L465 PolarHBondContact O-N 3.46Å
463	P	69.8	Low	82.9	Confident	89 Å²	89	58.4 Å²	58.4	58%	0.578	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.2	-179.6	25.6	-35	0	0	0	113.2	L465 Y466	P463-L465 PolarHBondContact O-N 3.4Å; P463-Y466 WeakPolarHBondContact O-CB 3.33Å; P463-Y466 PolarHBondContact O-N 3.33Å
464	L	78.8	Confident	83.7	Confident	93 Å²	93	55.5 Å²	55.5	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-69.9	-12	176.9	-70.7	168.2	0	0	0	113.9	L459 G462 Y466 S467 Q468	L459-L464 HydrophobicContact CD2-CB 4.39Å; L459-L464 HydrophobicContact CD2-CD1 3.43Å; L459-L464 VanDerWaalsContact CD2-CD1 3.43Å; G462-L464 PolarHBondContact O-N 3.4Å; G462-L464 VanDerWaalsContact O-N 3.12Å; L464-Y466 VanDerWaalsContact C-N 3.26Å; L464-Y466 PolarHBondContact O-N 3.21Å; L464-S467 PolarHBondContact O-N 3.12Å; L464-S467 PolarHBondContact O-OG 3.33Å; L464-Q468 WeakPolarHBondContact O-CG 3.5Å; L464-Q468 PolarHBondContact O-N 2.96Å
465	L	87.1	Confident	84.5	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-55.6	-44.8	167.9	179	62	0	0	0	110.8	L459 V460 G462 P463 S467 Q468 L469 V620 M766 V773	L459-L465 PolarHBondContact O-N 3.34Å; V460-L465 WeakPolarHBondContact O-CD2 3.44Å; G462-L465 WeakPolarHBondContact O-CB 3.19Å; G462-L465 PolarHBondContact O-N 3.46Å; P463-L465 PolarHBondContact O-N 3.4Å; L465-S467 VanDerWaalsContact C-N 3.35Å; L465-S467 PolarHBondContact O-N 2.94Å; L465-Q468 PolarHBondContact O-N 3.45Å; L465-L469 HydrophobicContact CD1-CD1 4.06Å; L465-L469 HydrophobicContact CD1-CD2 4.07Å; L465-L469 HydrophobicContact CD1-CG 3.91Å; L465-L469 HydrophobicContact CD2-CD1 4.27Å; L465-L469 HydrophobicContact CG-CD1 3.82Å; L465-L469 HydrophobicContact CG-CG 4.05Å; L465-L469 WeakPolarHBondContact O-CG 3.26Å; L465-L469 PolarHBondContact O-N 2.97Å; L465-V620 HydrophobicContact CD2-CB 4.36Å; L465-V620 HydrophobicContact CD2-CG1 3.83Å; L465-V620 HydrophobicContact CG-CG1 4.42Å; L465-M766 HydrophobicContact CD2-SD 4.19Å; L465-V773 HydrophobicContact CD1-CG2 4.21Å
466	Y	89.3	Confident	85.2	Confident	67 Å²	67	51 Å²	51	26%	0.263	29%	0.291	S	S	.	.	H	α-helix	trans	-55	-46.3	-176.1	-176.9	-82.7	0	0	0	112.6	P463 L464 Q468 L469 A470 N619 V620 D696 I698 K717	P463-Y466 WeakPolarHBondContact O-CB 3.33Å; P463-Y466 PolarHBondContact O-N 3.33Å; L464-Y466 VanDerWaalsContact C-N 3.26Å; L464-Y466 PolarHBondContact O-N 3.21Å; Y466-Q468 VanDerWaalsContact C-N 3.33Å; Y466-Q468 PolarHBondContact O-N 2.94Å; Y466-L469 PolarHBondContact O-N 3.07Å; Y466-A470 PolarHBondContact O-N 2.84Å; Y466-N619 HydrophobicContact CD2-CB 4.26Å; Y466-N619 HydrophobicContact CE2-CB 4.17Å; Y466-V620 HydrophobicContact CD2-CG2 3.77Å; Y466-V620 HydrophobicContact CG-CG2 4.31Å; Y466-D696 VanDerWaalsContact CE2-O 3.23Å; Y466-D696 WeakPolarHBondContact CE2-O 3.42Å; Y466-D696 PolarHBondContact OH-O 2.88Å; Y466-I698 HydrophobicContact CD2-CD1 3.6Å; Y466-I698 HydrophobicContact CD2-CG1 3.97Å; Y466-I698 HydrophobicContact CE2-CD1 3.62Å; Y466-I698 HydrophobicContact CE2-CG1 3.65Å; Y466-I698 HydrophobicContact CG-CD1 4.12Å; Y466-K717 PolarHBondContact OH-NZ 3.49Å
467	S	86.9	Confident	85.8	Confident	63 Å²	63	57.2 Å²	57.2	44%	0.441	32%	0.319	S	S	.	.	H	α-helix	trans	-71.3	-27.2	179.9	64.4	0	0	0	0	113.2	L464 L465	L464-S467 PolarHBondContact O-N 3.12Å; L464-S467 PolarHBondContact O-OG 3.33Å; L465-S467 VanDerWaalsContact C-N 3.35Å; L465-S467 PolarHBondContact O-N 2.94Å
468	Q	86.4	Confident	86.4	Confident	46 Å²	46	57.8 Å²	57.8	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-75.7	-24.6	172.2	-59.3	-53	-79.1	0	0	112.9	L464 L465 Y466 S471 Y472 V773	L464-Q468 WeakPolarHBondContact O-CG 3.5Å; L464-Q468 PolarHBondContact O-N 2.96Å; L465-Q468 PolarHBondContact O-N 3.45Å; Y466-Q468 VanDerWaalsContact C-N 3.33Å; Y466-Q468 PolarHBondContact O-N 2.94Å; Q468-S471 PolarHBondContact O-OG 3.36Å; Q468-S471 VanDerWaalsContact O-OG 3.08Å; Q468-Y472 WeakPolarHBondContact O-CD2 3.49Å; Q468-Y472 WeakPolarHBondContact O-CE2 3.38Å; Q468-V773 HydrophobicContact CB-CG1 3.57Å; Q468-V773 HydrophobicContact CB-CG2 4.25Å; Q468-V773 HydrophobicContact CG-CG1 3.82Å
469	L	92	Very high	87.3	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-81.3	-18.7	179.1	-67.3	-174.9	0	0	0	114.4	L465 Y466 S471 Y472 L473 V620 I698 I700 V769 V773	L465-L469 HydrophobicContact CD1-CD1 4.06Å; L465-L469 HydrophobicContact CD1-CD2 4.07Å; L465-L469 HydrophobicContact CD1-CG 3.91Å; L465-L469 HydrophobicContact CD2-CD1 4.27Å; L465-L469 HydrophobicContact CG-CD1 3.82Å; L465-L469 HydrophobicContact CG-CG 4.05Å; L465-L469 WeakPolarHBondContact O-CG 3.26Å; L465-L469 PolarHBondContact O-N 2.97Å; Y466-L469 PolarHBondContact O-N 3.07Å; L469-S471 PolarHBondContact O-N 3.23Å; L469-Y472 HydrophobicContact CD2-CD2 4.34Å; L469-Y472 PolarHBondContact O-N 3.04Å; L469-L473 PolarHBondContact O-N 3.32Å; L469-V620 HydrophobicContact CD1-CG1 3.46Å; L469-V620 VanDerWaalsContact CD1-CG1 3.46Å; L469-V620 HydrophobicContact CD1-CG2 4.26Å; L469-I698 HydrophobicContact CB-CD1 3.88Å; L469-I698 HydrophobicContact CD1-CG2 4.24Å; L469-I700 HydrophobicContact CD1-CD1 3.88Å; L469-V769 HydrophobicContact CD1-CG1 4.36Å; L469-V769 HydrophobicContact CD2-CG1 3.31Å; L469-V769 HydrophobicContact CG-CG1 4.46Å; L469-V773 HydrophobicContact CD2-CG2 3.82Å
470	A	89.4	Confident	88	Confident	58 Å²	58	55.5 Å²	55.5	48%	0.479	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-24.7	179.1	0	0	0	0	0	114.2	Y466	Y466-A470 PolarHBondContact O-N 2.84Å
471	S	90.5	Very high	88.5	Confident	61 Å²	61	59.3 Å²	59.3	43%	0.427	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.5	178.3	58.2	0	0	0	0	115.3	Q468 L469 W782	Q468-S471 PolarHBondContact O-OG 3.36Å; Q468-S471 VanDerWaalsContact O-OG 3.08Å; L469-S471 PolarHBondContact O-N 3.23Å; S471-W782 WeakPolarHBondContact OG-CH2 3.42Å; S471-W782 WeakPolarHBondContact OG-CZ3 3.39Å
472	Y	93.8	Very high	89.1	Confident	33 Å²	33	57.2 Å²	57.2	13%	0.129	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	1.7	177.1	-57.2	-90.4	0	0	0	112.5	Q468 L469 V724 K772 V773 D776 W782	Q468-Y472 WeakPolarHBondContact O-CD2 3.49Å; Q468-Y472 WeakPolarHBondContact O-CE2 3.38Å; L469-Y472 HydrophobicContact CD2-CD2 4.34Å; L469-Y472 PolarHBondContact O-N 3.04Å; Y472-V724 HydrophobicContact CD1-CG1 3.92Å; Y472-V724 HydrophobicContact CD1-CG2 4.09Å; Y472-V724 HydrophobicContact CE1-CG1 4.19Å; Y472-K772 HydrophobicContact CE1-CG 3.81Å; Y472-V773 HydrophobicContact CE2-CG2 4.19Å; Y472-D776 PolarHBondContact OH-OD2 3.2Å; Y472-W782 HydrophobicContact CE2-CH2 4.37Å; Y472-W782 AromaticContact CE2-CZ2 3.98Å; Y472-W782 HydrophobicContact CE2-CZ2 3.98Å; Y472-W782 AromaticContact CZ-CZ2 4Å
473	L	95.6	Very high	90.1	Very high	50 Å²	50	57.7 Å²	57.7	26%	0.262	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-62.9	135	172.3	-67.4	173.8	0	0	0	109.9	L469 I698 K717 V718 V719	L469-L473 PolarHBondContact O-N 3.32Å; L473-I698 HydrophobicContact CD2-CD1 4.18Å; L473-I698 HydrophobicContact CD2-CG1 4.09Å; L473-I698 HydrophobicContact CD2-CG2 3.96Å; L473-K717 HydrophobicContact CD1-CG 4.26Å; L473-K717 HydrophobicContact CD2-CB 3.98Å; L473-K717 HydrophobicContact CD2-CG 4.17Å; L473-V718 WeakPolarHBondContact CA-O 3.45Å; L473-V719 HydrophobicContact CD2-CG2 3.92Å
474	L	95.5	Very high	91.3	Very high	16 Å²	16	53.6 Å²	53.6	8%	0.084	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-66.5	137.3	171.6	-58.3	-178	0	0	0	110	D478 L479 Y484 V718 D720 I723	L474-D478 HydrophobicContact CB-CB 3.95Å; L474-D478 HydrophobicContact CD2-CB 4.23Å; L474-L479 HydrophobicContact CB-CD2 3.99Å; L474-L479 HydrophobicContact CB-CG 4.06Å; L474-L479 HydrophobicContact CD1-CD2 3.93Å; L474-Y484 HydrophobicContact CD1-CD2 4.42Å; L474-Y484 HydrophobicContact CD1-CE2 3.75Å; L474-V718 HydrophobicContact CD1-CB 4.23Å; L474-V718 HydrophobicContact CD1-CG1 4.13Å; L474-V718 PolarHBondContact N-O 2.94Å; L474-D720 HydrophobicContact CD1-CB 4.32Å; L474-I723 HydrophobicContact CD1-CD1 3.85Å; L474-I723 HydrophobicContact CD2-CB 4.28Å; L474-I723 HydrophobicContact CD2-CD1 3.65Å; L474-I723 HydrophobicContact CD2-CG2 3.93Å; L474-I723 HydrophobicContact CG-CD1 4.43Å
475	S	95.2	Very high	92.2	Very high	51 Å²	51	49.3 Å²	49.3	36%	0.357	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-73.2	166.7	169	71.3	0	0	0	0	111.2	E477 D478 L479	S475-E477 PolarHBondContact O-N 3.39Å; S475-E477 PolarHBondContact OG-N 3.24Å; S475-D478 VanDerWaalsContact CB-OD2 3.31Å; S475-D478 WeakPolarHBondContact CB-OD2 3.45Å; S475-D478 PolarHBondContact N-OD2 2.97Å; S475-D478 PolarHBondContact O-N 2.79Å; S475-D478 VanDerWaalsContact O-N 3.07Å; S475-D478 VanDerWaalsContact OG-CG 3.28Å; S475-D478 PolarHBondContact OG-N 2.86Å; S475-D478 VanDerWaalsContact OG-N 3.08Å; S475-D478 PolarHBondContact OG-OD2 3.1Å; S475-L479 WeakPolarHBondContact O-CG 3.31Å; S475-L479 PolarHBondContact O-N 3.36Å
476	E	92.6	Very high	92.5	Very high	116 Å²	116	50.3 Å²	50.3	54%	0.542	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-29.7	174.9	-163.8	156	-137.1	0	0	111.8	L480 K716	E476-L480 WeakPolarHBondContact O-CB 3.37Å; E476-L480 PolarHBondContact O-N 3Å; E476-L480 VanDerWaalsContact O-N 3.15Å; E476-K716 IonicContact OE1-NZ 2.67Å; E476-K716 PolarHBondContact OE1-NZ 3.02Å
477	E	93.5	Very high	92.7	Very high	164 Å²	164	49.5 Å²	49.5	77%	0.766	29%	0.288	S	S	*	.	H	α-helix	trans	-67.5	-42.6	170	-62.3	-177.5	-169.7	0	0	112.1	S475 A481	S475-E477 PolarHBondContact O-N 3.39Å; S475-E477 PolarHBondContact OG-N 3.24Å; E477-A481 WeakPolarHBondContact O-CB 3.43Å; E477-A481 PolarHBondContact O-N 3.03Å
478	D	93.5	Very high	93	Very high	66 Å²	66	47.9 Å²	47.9	35%	0.353	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-40.6	176.6	-66.7	-66	0	0	0	112.1	L474 S475 A481 N482	L474-D478 HydrophobicContact CB-CB 3.95Å; L474-D478 HydrophobicContact CD2-CB 4.23Å; S475-D478 VanDerWaalsContact CB-OD2 3.31Å; S475-D478 WeakPolarHBondContact CB-OD2 3.45Å; S475-D478 PolarHBondContact N-OD2 2.97Å; S475-D478 PolarHBondContact O-N 2.79Å; S475-D478 VanDerWaalsContact O-N 3.07Å; S475-D478 VanDerWaalsContact OG-CG 3.28Å; S475-D478 PolarHBondContact OG-N 2.86Å; S475-D478 VanDerWaalsContact OG-N 3.08Å; S475-D478 PolarHBondContact OG-OD2 3.1Å; D478-A481 PolarHBondContact O-N 2.68Å; D478-N482 WeakPolarHBondContact O-CB 3.4Å; D478-N482 PolarHBondContact O-N 2.68Å; D478-N482 PolarHBondContact O-ND2 2.96Å
479	L	94.8	Very high	93.2	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-49.9	176.4	-71.7	171.9	0	0	0	110.4	L474 S475 N482 G483 Y484 L486 K716 V718	L474-L479 HydrophobicContact CB-CD2 3.99Å; L474-L479 HydrophobicContact CB-CG 4.06Å; L474-L479 HydrophobicContact CD1-CD2 3.93Å; S475-L479 WeakPolarHBondContact O-CG 3.31Å; S475-L479 PolarHBondContact O-N 3.36Å; L479-N482 PolarHBondContact O-N 2.79Å; L479-G483 PolarHBondContact O-N 2.83Å; L479-G483 VanDerWaalsContact O-N 3.09Å; L479-Y484 HydrophobicContact CD2-CD1 3.97Å; L479-Y484 HydrophobicContact CD2-CD2 3.84Å; L479-Y484 HydrophobicContact CD2-CE2 4.39Å; L479-Y484 HydrophobicContact CD2-CG 3.61Å; L479-Y484 PolarHBondContact O-N 2.98Å; L479-L486 HydrophobicContact CB-CD2 4.2Å; L479-L486 HydrophobicContact CD1-CD2 4.27Å; L479-K716 HydrophobicContact CD1-CB 4.36Å; L479-V718 HydrophobicContact CD2-CB 4.34Å; L479-V718 HydrophobicContact CD2-CG2 4.38Å
480	L	92.5	Very high	93	Very high	103 Å²	103	54.4 Å²	54.4	54%	0.539	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-46.3	176.2	-178.2	65.3	0	0	0	111.7	E476 N482 G483 L486	E476-L480 WeakPolarHBondContact O-CB 3.37Å; E476-L480 PolarHBondContact O-N 3Å; E476-L480 VanDerWaalsContact O-N 3.15Å; L480-N482 VanDerWaalsContact C-N 3.29Å; L480-N482 PolarHBondContact O-N 2.91Å; L480-G483 PolarHBondContact O-N 3.01Å; L480-G483 VanDerWaalsContact O-N 3.16Å; L480-L486 HydrophobicContact CB-CD1 4Å; L480-L486 HydrophobicContact CD1-CD1 4.08Å
481	A	90.9	Very high	92.9	Very high	83 Å²	83	58.8 Å²	58.8	69%	0.686	33%	0.325	S	S	*	.	H	α-helix	trans	-68.1	-24.3	-178.1	0	0	0	0	0	114	E477 D478	E477-A481 WeakPolarHBondContact O-CB 3.43Å; E477-A481 PolarHBondContact O-N 3.03Å; D478-A481 PolarHBondContact O-N 2.68Å
482	N	91.5	Very high	92.6	Very high	27 Å²	27	63.7 Å²	63.7	14%	0.144	35%	0.347	C	S	.	.	H	α-helix	trans	-97.3	0.4	174.4	-70.3	-89	0	0	0	113.4	D478 L479 L480 Y484 I723	D478-N482 WeakPolarHBondContact O-CB 3.4Å; D478-N482 PolarHBondContact O-N 2.68Å; D478-N482 PolarHBondContact O-ND2 2.96Å; L479-N482 PolarHBondContact O-N 2.79Å; L480-N482 VanDerWaalsContact C-N 3.29Å; L480-N482 PolarHBondContact O-N 2.91Å; N482-Y484 HydrophobicContact CB-CD2 3.93Å; N482-Y484 HydrophobicContact CB-CE2 3.86Å; N482-I723 HydrophobicContact CB-CD1 4.22Å; N482-I723 VanDerWaalsContact CG-CD1 3.46Å; N482-I723 WeakPolarHBondContact OD1-CD1 3.26Å
483	G	92.5	Very high	92.4	Very high	22 Å²	22	66.4 Å²	66.4	23%	0.227	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	26.6	172.8	0	0	0	0	0	115.3	L479 L480	L479-G483 PolarHBondContact O-N 2.83Å; L479-G483 VanDerWaalsContact O-N 3.09Å; L480-G483 PolarHBondContact O-N 3.01Å; L480-G483 VanDerWaalsContact O-N 3.16Å
484	Y	96.2	Very high	92	Very high	3 Å²	3	68.4 Å²	68.4	1%	0.012	38%	0.377	C	S	.	.			trans	-66.8	149.7	173.6	-78.7	-95.9	0	0	0	112	L474 L479 N482 L486 L704 E705 L708 V718 D720	L474-Y484 HydrophobicContact CD1-CD2 4.42Å; L474-Y484 HydrophobicContact CD1-CE2 3.75Å; L479-Y484 HydrophobicContact CD2-CD1 3.97Å; L479-Y484 HydrophobicContact CD2-CD2 3.84Å; L479-Y484 HydrophobicContact CD2-CE2 4.39Å; L479-Y484 HydrophobicContact CD2-CG 3.61Å; L479-Y484 PolarHBondContact O-N 2.98Å; N482-Y484 HydrophobicContact CB-CD2 3.93Å; N482-Y484 HydrophobicContact CB-CE2 3.86Å; Y484-L486 PolarHBondContact O-N 3.05Å; Y484-L704 HydrophobicContact CE1-CB 4.07Å; Y484-E705 HydrophobicContact CD1-CB 4.22Å; Y484-E705 HydrophobicContact CD2-CB 3.99Å; Y484-E705 HydrophobicContact CE1-CB 4.17Å; Y484-E705 VanDerWaalsContact CE1-N 3.32Å; Y484-E705 HydrophobicContact CE2-CB 3.96Å; Y484-E705 HydrophobicContact CG-CB 4.11Å; Y484-E705 PolarHBondContact OH-N 3.3Å; Y484-L708 HydrophobicContact CD1-CD1 3.91Å; Y484-L708 HydrophobicContact CE1-CD1 3.98Å; Y484-V718 HydrophobicContact CD1-CG2 4.46Å; Y484-V718 HydrophobicContact CE1-CB 4.39Å; Y484-V718 HydrophobicContact CE1-CG1 3.85Å; Y484-V718 HydrophobicContact CE1-CG2 4.17Å; Y484-D720 WeakPolarHBondContact OH-CB 3.33Å
485	P	96.2	Very high	91.8	Very high	3 Å²	3	70.2 Å²	70.2	2%	0.019	39%	0.386	C	S	.	.			trans	-68.5	124.9	174.5	28.3	-34.3	0	0	0	111.1	A499 L501 F595 L708 I714	P485-A499 HydrophobicContact CB-CB 4.21Å; P485-L501 HydrophobicContact CB-CD2 3.77Å; P485-F595 HydrophobicContact CB-CD1 4.14Å; P485-F595 HydrophobicContact CB-CE1 3.63Å; P485-F595 HydrophobicContact CG-CE1 4.27Å; P485-L708 HydrophobicContact CG-CB 3.94Å; P485-I714 HydrophobicContact CB-CG1 4.45Å
486	L	95	Very high	91.5	Very high	21 Å²	21	77.5 Å²	77.5	11%	0.11	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	168.4	179.6	-67.2	175.8	0	0	0	111.6	L479 L480 Y484 L488 A499 A500	L479-L486 HydrophobicContact CB-CD2 4.2Å; L479-L486 HydrophobicContact CD1-CD2 4.27Å; L480-L486 HydrophobicContact CB-CD1 4Å; L480-L486 HydrophobicContact CD1-CD1 4.08Å; Y484-L486 PolarHBondContact O-N 3.05Å; L486-L488 PolarHBondContact O-N 3.21Å; L486-A499 CarbonylContact O-C 3.59Å; L486-A499 WeakPolarHBondContact O-CA 3.35Å; L486-A499 WeakPolarHBondContact O-CB 3.37Å; L486-A500 HydrophobicContact CB-CB 4.47Å; L486-A500 PolarHBondContact N-O 3.29Å; L486-A500 VanDerWaalsContact N-O 3.15Å; L486-A500 PolarHBondContact O-N 3.31Å
487	E	93.2	Very high	91.4	Very high	51 Å²	51	73.6 Å²	73.6	24%	0.238	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	128.4	176.9	-66.9	172.9	-92.5	0	0	111.1	V489 I494 I597 I714 K716	E487-V489 PolarHBondContact O-N 3.45Å; E487-I494 HydrophobicContact CB-CG2 4.21Å; E487-I597 VanDerWaalsContact CD-CD1 3.42Å; E487-I597 HydrophobicContact CG-CD1 3.58Å; E487-I714 HydrophobicContact CG-CG2 4.15Å; E487-K716 WeakPolarHBondContact OE1-CE 3.42Å; E487-K716 IonicContact OE1-NZ 3.78Å; E487-K716 PolarHBondContact OE1-NZ 3.38Å
488	L	91.9	Very high	91.5	Very high	28 Å²	28	68.5 Å²	68.5	15%	0.147	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119.9	173.2	-177.9	62.3	0	0	0	109.9	L486 I494 I495 K498 A500	L486-L488 PolarHBondContact O-N 3.21Å; L488-I494 WeakPolarHBondContact O-CA 3.37Å; L488-I495 HydrophobicContact CB-CB 4.48Å; L488-I495 HydrophobicContact CD2-CB 4.31Å; L488-I495 HydrophobicContact CD2-CD1 4.15Å; L488-I495 HydrophobicContact CG-CB 4.45Å; L488-I495 HydrophobicContact CG-CD1 4.48Å; L488-I495 PolarHBondContact O-N 3.08Å; L488-K498 HydrophobicContact CB-CB 4.25Å; L488-K498 HydrophobicContact CD2-CB 3.76Å; L488-K498 HydrophobicContact CD2-CD 4.03Å; L488-A500 HydrophobicContact CD1-CB 4.45Å
489	V	90.3	Very high	91.5	Very high	81 Å²	81	65.4 Å²	65.4	49%	0.491	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.5	177.1	-176.2	0	0	0	0	109.8	E487 T493 I494	E487-V489 PolarHBondContact O-N 3.45Å; V489-T493 WeakPolarHBondContact CA-O 3.46Å; V489-I494 HydrophobicContact CG2-CG1 4Å
490	E	89	Confident	91.4	Very high	102 Å²	102	67.2 Å²	67.2	48%	0.477	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131	171.8	-68	-177.2	-158.4	0	0	109	D492 T493 I495	E490-D492 PolarHBondContact O-N 3.39Å; E490-T493 PolarHBondContact N-O 2.99Å; E490-T493 WeakPolarHBondContact O-CA 3.48Å; E490-T493 WeakPolarHBondContact O-CB 3.22Å; E490-T493 PolarHBondContact O-N 3.47Å; E490-I495 HydrophobicContact CB-CD1 3.9Å; E490-I495 HydrophobicContact CG-CD1 3.7Å; E490-I495 WeakPolarHBondContact OE1-CD1 3.29Å
491	N	87.2	Confident	91.4	Very high	150 Å²	150	63.9 Å²	63.9	80%	0.802	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	52.8	-180	-50.8	-62.3	0	0	0	112.6	T493	N491-T493 PolarHBondContact O-N 2.81Å; N491-T493 PolarHBondContact O-OG1 3.1Å; N491-T493 VanDerWaalsContact O-OG1 3.07Å
492	D	84.4	Confident	91.2	Very high	165 Å²	165	62.8 Å²	62.8	88%	0.882	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	15.5	-175.1	-56.6	-33.1	0	0	0	115.4	E490	E490-D492 PolarHBondContact O-N 3.39Å
493	T	88.6	Confident	90.9	Very high	90 Å²	90	63 Å²	63	55%	0.552	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.1	-176.2	-54.5	0	0	0	0	111	V489 E490 N491 I495	V489-T493 WeakPolarHBondContact CA-O 3.46Å; E490-T493 PolarHBondContact N-O 2.99Å; E490-T493 WeakPolarHBondContact O-CA 3.48Å; E490-T493 WeakPolarHBondContact O-CB 3.22Å; E490-T493 PolarHBondContact O-N 3.47Å; N491-T493 PolarHBondContact O-N 2.81Å; N491-T493 PolarHBondContact O-OG1 3.1Å; N491-T493 VanDerWaalsContact O-OG1 3.07Å; T493-I495 PolarHBondContact O-N 3.12Å
494	I	87.6	Confident	90.5	Very high	92 Å²	92	64.1 Å²	64.1	47%	0.472	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	118.8	176.9	-61.5	156	0	0	0	109.9	E487 L488 V489 R496	E487-I494 HydrophobicContact CB-CG2 4.21Å; L488-I494 WeakPolarHBondContact O-CA 3.37Å; V489-I494 HydrophobicContact CG2-CG1 4Å; I494-R496 PolarHBondContact O-N 3.44Å
495	I	90.8	Very high	89.8	Confident	53 Å²	53	72.6 Å²	72.6	27%	0.272	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	113.1	175.7	-62.3	-178.4	0	0	0	109.2	L488 E490 T493 K498	L488-I495 HydrophobicContact CB-CB 4.48Å; L488-I495 HydrophobicContact CD2-CB 4.31Å; L488-I495 HydrophobicContact CD2-CD1 4.15Å; L488-I495 HydrophobicContact CG-CB 4.45Å; L488-I495 HydrophobicContact CG-CD1 4.48Å; L488-I495 PolarHBondContact O-N 3.08Å; E490-I495 HydrophobicContact CB-CD1 3.9Å; E490-I495 HydrophobicContact CG-CD1 3.7Å; E490-I495 WeakPolarHBondContact OE1-CD1 3.29Å; T493-I495 PolarHBondContact O-N 3.12Å; I495-K498 HydrophobicContact CG2-CB 4.02Å; I495-K498 HydrophobicContact CG2-CD 4.11Å; I495-K498 HydrophobicContact CG2-CG 4.01Å
496	R	89.3	Confident	89.1	Confident	205 Å²	205	78.2 Å²	78.2	77%	0.774	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	149.9	176.2	-62.4	-170.8	-168.7	127.3	16.2	111.4	I494 K498	I494-R496 PolarHBondContact O-N 3.44Å; R496-K498 PolarHBondContact O-N 3.46Å
497	G	91.8	Very high	88.5	Confident	34 Å²	34	78.6 Å²	78.6	35%	0.351	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.3	-2	-175.6	0	0	0	0	0	113.4	E593 G594 F595	G497-E593 CarbonylContact O-C 3.54Å; G497-E593 WeakPolarHBondContact O-CA 3.31Å; G497-G594 PolarHBondContact O-N 3.03Å; G497-F595 CarbonylContact C-O 3.55Å; G497-F595 VanDerWaalsContact CA-O 3.23Å; G497-F595 WeakPolarHBondContact CA-O 3.05Å; G497-F595 PolarHBondContact N-O 2.63Å; G497-F595 PolarHBondContact O-N 2.95Å
498	K	93.7	Very high	87.8	Confident	57 Å²	57	80.9 Å²	80.9	25%	0.248	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.1	-179.8	-62.8	-159.8	173	-134.1	0	113.7	L488 I495 R496 N592 E593	L488-K498 HydrophobicContact CB-CB 4.25Å; L488-K498 HydrophobicContact CD2-CB 3.76Å; L488-K498 HydrophobicContact CD2-CD 4.03Å; I495-K498 HydrophobicContact CG2-CB 4.02Å; I495-K498 HydrophobicContact CG2-CD 4.11Å; I495-K498 HydrophobicContact CG2-CG 4.01Å; R496-K498 PolarHBondContact O-N 3.46Å; K498-N592 WeakPolarHBondContact CA-O 3.42Å; K498-N592 WeakPolarHBondContact CB-O 3.48Å; K498-N592 PolarHBondContact NZ-OD1 3.35Å; K498-E593 WeakPolarHBondContact CE-OE1 3.33Å; K498-E593 IonicContact NZ-OE1 3.6Å; K498-E593 PolarHBondContact NZ-OE1 3.27Å
499	A	94.1	Very high	87	Confident	1 Å²	1	86.9 Å²	86.9	1%	0.008	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150.4	175.2	0	0	0	0	0	112.5	P485 L486 L501 N592 F595 I714	P485-A499 HydrophobicContact CB-CB 4.21Å; L486-A499 CarbonylContact O-C 3.59Å; L486-A499 WeakPolarHBondContact O-CA 3.35Å; L486-A499 WeakPolarHBondContact O-CB 3.37Å; A499-L501 HydrophobicContact CB-CD2 4.09Å; A499-L501 HydrophobicContact CB-CG 4.45Å; A499-N592 PolarHBondContact N-O 2.79Å; A499-F595 HydrophobicContact CB-CB 3.98Å; A499-F595 HydrophobicContact CB-CD1 3.51Å; A499-F595 HydrophobicContact CB-CD2 3.78Å; A499-F595 HydrophobicContact CB-CE1 3.85Å; A499-F595 HydrophobicContact CB-CE2 4.11Å; A499-F595 HydrophobicContact CB-CG 3.47Å; A499-F595 VanDerWaalsContact CB-CG 3.47Å; A499-F595 HydrophobicContact CB-CZ 4.14Å; A499-I714 HydrophobicContact CB-CD1 4.05Å; A499-I714 HydrophobicContact CB-CG1 4.28Å
500	A	93.5	Very high	86.5	Confident	40 Å²	40	84.8 Å²	84.8	33%	0.331	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.9	159.4	0	0	0	0	0	108.5	L486 L488	L486-A500 HydrophobicContact CB-CB 4.47Å; L486-A500 PolarHBondContact N-O 3.29Å; L486-A500 VanDerWaalsContact N-O 3.15Å; L486-A500 PolarHBondContact O-N 3.31Å; L488-A500 HydrophobicContact CD1-CB 4.45Å
501	L	91.8	Very high	86	Confident	33 Å²	33	80.8 Å²	80.8	17%	0.173	42%	0.42	C	S	.	.			trans	-112.2	132.7	177.3	-59.1	-178.4	0	0	0	110.1	P485 A499 D591 F595	P485-L501 HydrophobicContact CB-CD2 3.77Å; A499-L501 HydrophobicContact CB-CD2 4.09Å; A499-L501 HydrophobicContact CB-CG 4.45Å; L501-D591 VanDerWaalsContact CD1-O 3.24Å; L501-D591 WeakPolarHBondContact CD1-O 3.33Å; L501-F595 HydrophobicContact CD1-CE2 4.43Å; L501-F595 HydrophobicContact CD1-CZ 4.24Å; L501-F595 HydrophobicContact CD2-CE1 4.3Å; L501-F595 HydrophobicContact CD2-CZ 3.97Å
502	C	86.4	Confident	85.2	Confident	60 Å²	60	76.2 Å²	76.2	41%	0.405	41%	0.408	S	S	.	.			trans	-87.9	112.7	179.3	-171.1	0	0	0	0	110.9	P504 W589	C502-P504 WeakPolarHBondContact O-CD 3.22Å; C502-W589 VanDerWaalsContact O-CD1 3.27Å
503	L	85.5	Confident	84.5	Confident	33 Å²	33	75.5 Å²	75.5	17%	0.173	41%	0.405	C	S	.	.			trans	-76.1	122.6	172.3	-179.3	65.1	0	0	0	110.1	K507 H508 Y511 W589	L503-K507 HydrophobicContact CD1-CB 3.63Å; L503-K507 HydrophobicContact CG-CB 4.34Å; L503-H508 HydrophobicContact CD2-CB 4.44Å; L503-H508 PolarHBondContact O-CE1 3.06Å; L503-H508 PolarHBondContact O-ND1 3.29Å; L503-Y511 HydrophobicContact CD1-CD2 4.15Å; L503-W589 HydrophobicContact CB-CB 4.41Å; L503-W589 HydrophobicContact CD1-CB 3.59Å; L503-W589 HydrophobicContact CD1-CD2 4.21Å; L503-W589 HydrophobicContact CD1-CG 3.78Å
504	P	84	Confident	83.6	Confident	44 Å²	44	72.5 Å²	72.5	29%	0.286	39%	0.387	S	S	.	.			trans	-63.2	147	178	-26.5	36.2	0	0	0	113.1	C502 N506 K507 H508	C502-P504 WeakPolarHBondContact O-CD 3.22Å; P504-N506 VanDerWaalsContact CB-OD1 3.3Å; P504-N506 WeakPolarHBondContact CB-OD1 3.43Å; P504-N506 PolarHBondContact O-N 3.38Å; P504-K507 HydrophobicContact CB-CB 4.38Å; P504-K507 HydrophobicContact CB-CG 4.31Å; P504-K507 HydrophobicContact CG-CG 4.38Å; P504-K507 WeakPolarHBondContact O-CA 3.37Å; P504-K507 PolarHBondContact O-N 3.3Å; P504-H508 PolarHBondContact O-N 2.82Å; P504-H508 PolarHBondContact O-ND1 2.83Å
505	E	82.3	Confident	83.2	Confident	181 Å²	181	71.1 Å²	71.1	85%	0.846	38%	0.384	S	S	*	.	H	α-helix	trans	-52.5	-41.6	178	-64.7	-175.4	159.1	0	0	112.5	K507 H508	E505-K507 PolarHBondContact O-N 2.9Å; E505-H508 WeakPolarHBondContact O-CB 3.39Å; E505-H508 PolarHBondContact O-N 2.95Å
506	N	80.3	Confident	82.7	Confident	121 Å²	121	73.8 Å²	73.8	65%	0.647	41%	0.407	S	S	*	.	H	α-helix	trans	-72.3	-10.7	178.8	69.7	-73.9	0	0	0	114	P504	P504-N506 VanDerWaalsContact CB-OD1 3.3Å; P504-N506 WeakPolarHBondContact CB-OD1 3.43Å; P504-N506 PolarHBondContact O-N 3.38Å
507	K	82.6	Confident	82.6	Confident	30 Å²	30	67.4 Å²	67.4	13%	0.13	39%	0.389	C	S	.	.	H	α-helix	trans	-100.4	-23.9	173.5	-70.7	-70.3	-153.9	153.2	0	112.2	L503 P504 E505 Q509 V510 Y511 D585 W589	L503-K507 HydrophobicContact CD1-CB 3.63Å; L503-K507 HydrophobicContact CG-CB 4.34Å; P504-K507 HydrophobicContact CB-CB 4.38Å; P504-K507 HydrophobicContact CB-CG 4.31Å; P504-K507 HydrophobicContact CG-CG 4.38Å; P504-K507 WeakPolarHBondContact O-CA 3.37Å; P504-K507 PolarHBondContact O-N 3.3Å; E505-K507 PolarHBondContact O-N 2.9Å; K507-Q509 VanDerWaalsContact C-N 3.31Å; K507-Q509 PolarHBondContact O-N 3.47Å; K507-V510 WeakPolarHBondContact O-CA 3.47Å; K507-V510 WeakPolarHBondContact O-CB 3.26Å; K507-V510 PolarHBondContact O-N 2.71Å; K507-Y511 HydrophobicContact CB-CD2 4.23Å; K507-Y511 HydrophobicContact CB-CE2 4.32Å; K507-Y511 HydrophobicContact CD-CD2 4.47Å; K507-Y511 HydrophobicContact CD-CE2 3.76Å; K507-Y511 HydrophobicContact CG-CE2 4.46Å; K507-Y511 PolarHBondContact NZ-OH 3.07Å; K507-Y511 VanDerWaalsContact NZ-OH 3.09Å; K507-Y511 PolarHBondContact O-N 2.74Å; K507-D585 IonicContact NZ-OD1 3.75Å; K507-D585 PolarHBondContact NZ-OD1 3.05Å; K507-D585 IonicContact NZ-OD2 3.49Å; K507-D585 PolarHBondContact NZ-OD2 2.74Å; K507-W589 HydrophobicContact CD-CH2 4.31Å; K507-W589 HydrophobicContact CD-CZ3 4.15Å; K507-W589 VanDerWaalsContact CE-CZ3 3.43Å; K507-W589 HydrophobicContact CG-CH2 4.44Å; K507-W589 HydrophobicContact CG-CZ3 4.43Å
508	H	78.4	Confident	82.5	Confident	99 Å²	99	67.5 Å²	67.5	46%	0.458	38%	0.38	S	S	.	.	H	α-helix	trans	-52.4	-47.1	171.5	-81	81.5	0	0	0	112	L503 P504 E505 V510 Y511 G512	L503-H508 HydrophobicContact CD2-CB 4.44Å; L503-H508 PolarHBondContact O-CE1 3.06Å; L503-H508 PolarHBondContact O-ND1 3.29Å; P504-H508 PolarHBondContact O-N 2.82Å; P504-H508 PolarHBondContact O-ND1 2.83Å; E505-H508 WeakPolarHBondContact O-CB 3.39Å; E505-H508 PolarHBondContact O-N 2.95Å; H508-V510 PolarHBondContact O-N 3.34Å; H508-V510 VanDerWaalsContact O-N 3.12Å; H508-Y511 PolarHBondContact O-N 3.15Å; H508-G512 WeakPolarHBondContact O-CA 3.49Å; H508-G512 PolarHBondContact O-N 2.89Å
509	Q	76	Confident	82.4	Confident	154 Å²	154	67.4 Å²	67.4	72%	0.72	38%	0.378	S	S	*	.	H	α-helix	trans	-64	-17.5	178.4	-170.3	60.3	87	0	0	113.8	K507	K507-Q509 VanDerWaalsContact C-N 3.31Å; K507-Q509 PolarHBondContact O-N 3.47Å
510	V	79.1	Confident	82.3	Confident	37 Å²	37	68.1 Å²	68.1	22%	0.224	38%	0.382	C	S	.	.	H	α-helix	trans	-91.8	-49.4	-179	-174	0	0	0	0	111	K507 H508 V520 R527	K507-V510 WeakPolarHBondContact O-CA 3.47Å; K507-V510 WeakPolarHBondContact O-CB 3.26Å; K507-V510 PolarHBondContact O-N 2.71Å; H508-V510 PolarHBondContact O-N 3.34Å; H508-V510 VanDerWaalsContact O-N 3.12Å; V510-V520 HydrophobicContact CG1-CB 3.8Å; V510-V520 HydrophobicContact CG1-CG1 4.03Å; V510-V520 HydrophobicContact CG1-CG2 3.54Å; V510-R527 PolarHBondContact O-NH2 3.36Å
511	Y	79.5	Confident	82.3	Confident	17 Å²	17	66.3 Å²	66.3	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-104.1	-26.7	-171.5	-57.1	-51.2	0	0	0	115.2	L503 K507 H508 N513 C514 V520 D585 A586 W589 L590	L503-Y511 HydrophobicContact CD1-CD2 4.15Å; K507-Y511 HydrophobicContact CB-CD2 4.23Å; K507-Y511 HydrophobicContact CB-CE2 4.32Å; K507-Y511 HydrophobicContact CD-CD2 4.47Å; K507-Y511 HydrophobicContact CD-CE2 3.76Å; K507-Y511 HydrophobicContact CG-CE2 4.46Å; K507-Y511 PolarHBondContact NZ-OH 3.07Å; K507-Y511 VanDerWaalsContact NZ-OH 3.09Å; K507-Y511 PolarHBondContact O-N 2.74Å; H508-Y511 PolarHBondContact O-N 3.15Å; Y511-N513 PolarHBondContact O-N 3.4Å; Y511-N513 VanDerWaalsContact O-N 3.13Å; Y511-C514 VanDerWaalsContact O-CB 3.24Å; Y511-C514 WeakPolarHBondContact O-CB 3.23Å; Y511-C514 PolarHBondContact O-N 2.95Å; Y511-V520 HydrophobicContact CE1-CB 4.36Å; Y511-V520 HydrophobicContact CE1-CG2 4.37Å; Y511-D585 PolarHBondContact OH-OD1 3.04Å; Y511-A586 HydrophobicContact CD1-CB 4.45Å; Y511-A586 HydrophobicContact CE1-CB 3.91Å; Y511-A586 HydrophobicContact CE2-CB 4.42Å; Y511-W589 HydrophobicContact CD2-CE3 4.45Å; Y511-W589 AromaticContact CE2-CE3 3.8Å; Y511-W589 HydrophobicContact CE2-CE3 3.8Å; Y511-W589 AromaticContact CE2-CZ3 3.92Å; Y511-W589 HydrophobicContact CE2-CZ3 3.92Å; Y511-L590 HydrophobicContact CG-CD1 4.46Å
512	G	69.8	Low	82.3	Confident	54 Å²	54	67.1 Å²	67.1	56%	0.557	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.5	-172.4	0	0	0	0	0	115.1	H508	H508-G512 WeakPolarHBondContact O-CA 3.49Å; H508-G512 PolarHBondContact O-N 2.89Å
513	N	69.3	Low	82.6	Confident	151 Å²	151	66.2 Å²	66.2	81%	0.807	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	15.5	174.7	-64.7	19.7	0	0	0	112.2	Y511	Y511-N513 PolarHBondContact O-N 3.4Å; Y511-N513 VanDerWaalsContact O-N 3.13Å
514	C	69.4	Low	82.9	Confident	26 Å²	26	66.7 Å²	66.7	18%	0.176	37%	0.369	C	S	.	.			trans	-92.3	126.8	-175.3	-154	0	0	0	0	109.4	Y511 R527	Y511-C514 VanDerWaalsContact O-CB 3.24Å; Y511-C514 WeakPolarHBondContact O-CB 3.23Å; Y511-C514 PolarHBondContact O-N 2.95Å; C514-R527 PolarHBondContact SG-NH1 3.36Å; C514-R527 VanDerWaalsContact SG-NH1 3.45Å
515	P	79	Confident	83.1	Confident	64 Å²	64	67 Å²	67	42%	0.416	38%	0.38	S	S	.	.			trans	-64.8	155.3	174.9	28.8	-34.4	0	0	0	110.8	N517 E518	P515-N517 PolarHBondContact O-N 3Å; P515-E518 VanDerWaalsContact CD-OE2 3.3Å; P515-E518 WeakPolarHBondContact CD-OE2 3.47Å; P515-E518 HydrophobicContact CG-CB 3.74Å; P515-E518 PolarHBondContact O-N 3.39Å
516	S	80.7	Confident	83.5	Confident	108 Å²	108	61.4 Å²	61.4	76%	0.755	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.4	-172	52.2	0	0	0	0	114.8	R519	S516-R519 PolarHBondContact O-NH1 3.07Å; S516-R519 PolarHBondContact O-NH2 3.1Å
517	N	86.8	Confident	84.1	Confident	72 Å²	72	61.4 Å²	61.4	39%	0.385	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	8.4	176.5	70.2	-28.8	0	0	0	114.4	P515 L529 V530	P515-N517 PolarHBondContact O-N 3Å; N517-L529 CarbonylContact O-C 3.3Å; N517-L529 WeakPolarHBondContact O-CA 3.35Å; N517-V530 WeakPolarHBondContact O-CG2 3.34Å; N517-V530 PolarHBondContact O-N 2.8Å
518	E	90.2	Very high	84.6	Confident	36 Å²	36	60.2 Å²	60.2	17%	0.168	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.1	173.8	-172.1	-173	168.8	0	0	111	P515 R527 L529	P515-E518 VanDerWaalsContact CD-OE2 3.3Å; P515-E518 WeakPolarHBondContact CD-OE2 3.47Å; P515-E518 HydrophobicContact CG-CB 3.74Å; P515-E518 PolarHBondContact O-N 3.39Å; E518-R527 VanDerWaalsContact OE1-CB 3.25Å; E518-R527 WeakPolarHBondContact OE1-CB 3.41Å; E518-R527 WeakPolarHBondContact OE1-CD 3.17Å; E518-R527 WeakPolarHBondContact OE1-CG 3.5Å; E518-R527 IonicContact OE1-CZ 3.32Å; E518-R527 IonicContact OE1-NE 3.51Å; E518-R527 IonicContact OE1-NH1 3.64Å; E518-R527 PolarHBondContact OE1-NH1 3.28Å; E518-R527 IonicContact OE2-NH1 3.46Å; E518-R527 PolarHBondContact OE2-NH1 3.15Å; E518-L529 HydrophobicContact CB-CD2 3.95Å; E518-L529 HydrophobicContact CG-CD2 4.2Å
519	R	91	Very high	85.2	Confident	54 Å²	54	58.9 Å²	58.9	20%	0.204	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.6	175.9	-60.6	-65.3	175.8	-87.2	-5.5	110	S516 R527 F528 V530 H584	S516-R519 PolarHBondContact O-NH1 3.07Å; S516-R519 PolarHBondContact O-NH2 3.1Å; R519-R527 WeakPolarHBondContact O-CA 3.43Å; R519-F528 HydrophobicContact CB-CD1 4.14Å; R519-F528 HydrophobicContact CB-CD2 4.14Å; R519-F528 HydrophobicContact CB-CE1 3.68Å; R519-F528 HydrophobicContact CB-CE2 3.72Å; R519-F528 HydrophobicContact CB-CG 4.37Å; R519-F528 HydrophobicContact CB-CZ 3.48Å; R519-F528 VanDerWaalsContact CB-CZ 3.48Å; R519-F528 HydrophobicContact CG-CE2 4.24Å; R519-F528 HydrophobicContact CG-CZ 4.29Å; R519-F528 PolarHBondContact N-O 2.92Å; R519-F528 WeakPolarHBondContact O-CD1 3.31Å; R519-F528 PolarHBondContact O-N 3.38Å; R519-V530 HydrophobicContact CB-CG1 4.45Å; R519-V530 HydrophobicContact CG-CG1 3.75Å; R519-V530 HydrophobicContact CG-CG2 3.97Å; R519-H584 HydrophobicContact CB-CB 4.28Å
520	V	92.2	Very high	86	Confident	17 Å²	17	51.7 Å²	51.7	10%	0.103	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.6	176.2	-171.4	0	0	0	0	108.7	V510 Y511 C522 R527	V510-V520 HydrophobicContact CG1-CB 3.8Å; V510-V520 HydrophobicContact CG1-CG1 4.03Å; V510-V520 HydrophobicContact CG1-CG2 3.54Å; Y511-V520 HydrophobicContact CE1-CB 4.36Å; Y511-V520 HydrophobicContact CE1-CG2 4.37Å; V520-C522 PolarHBondContact O-N 2.88Å; V520-R527 HydrophobicContact CG2-CG 3.94Å
521	C	93.7	Very high	86.5	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.014	31%	0.308	C	S	.	.			trans	-71	118.8	-175.6	-174.6	0	0	0	0	111	R523 C524 G525 T526 F528 H582 V583	C521-R523 PolarHBondContact O-N 3Å; C521-R523 VanDerWaalsContact O-N 3.12Å; C521-C524 VanDerWaalsContact SG-SG 3.63Å; C521-G525 VanDerWaalsContact O-CA 3.27Å; C521-G525 WeakPolarHBondContact O-CA 3.27Å; C521-G525 PolarHBondContact O-N 3.44Å; C521-T526 WeakPolarHBondContact CB-O 3.35Å; C521-T526 PolarHBondContact N-O 3.34Å; C521-F528 HydrophobicContact CB-CD1 4.15Å; C521-F528 HydrophobicContact CB-CE1 3.9Å; C521-H582 HydrophobicContact CB-CB 4Å; C521-V583 CarbonylContact C-O 3.56Å; C521-V583 WeakPolarHBondContact CA-O 3.47Å; C521-V583 PolarHBondContact SG-O 3.43Å
522	C	92	Very high	86.9	Confident	50 Å²	50	60.2 Å²	60.2	34%	0.338	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.8	-176.2	62.6	0	0	0	0	113.6	V520 V583 D585	V520-C522 PolarHBondContact O-N 2.88Å; C522-V583 PolarHBondContact N-O 3.35Å; C522-V583 PolarHBondContact SG-O 3.07Å; C522-D585 HydrophobicContact CB-CB 4.33Å
523	R	92.6	Very high	87.7	Confident	40 Å²	40	65.4 Å²	65.4	15%	0.151	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-51.2	-179.9	-68.9	-177.8	174.7	177	-7.3	114.4	C521 Y544 V583 D662 N664	C521-R523 PolarHBondContact O-N 3Å; C521-R523 VanDerWaalsContact O-N 3.12Å; R523-Y544 HydrophobicContact CB-CD1 4.4Å; R523-Y544 HydrophobicContact CB-CD2 3.81Å; R523-Y544 HydrophobicContact CB-CE2 4.45Å; R523-Y544 HydrophobicContact CB-CG 3.78Å; R523-Y544 HydrophobicContact CG-CD2 4.07Å; R523-Y544 HydrophobicContact CG-CE2 4.24Å; R523-Y544 HydrophobicContact CG-CG 4.42Å; R523-Y544 PolarHBondContact NH1-OH 2.66Å; R523-V583 VanDerWaalsContact CD-CG2 3.47Å; R523-V583 HydrophobicContact CG-CG2 3.78Å; R523-D662 IonicContact CZ-OD2 2.78Å; R523-D662 IonicContact NH1-OD2 3.65Å; R523-D662 PolarHBondContact NH1-OD2 2.6Å; R523-D662 IonicContact NH2-OD2 2.75Å; R523-D662 PolarHBondContact NH2-OD2 3.3Å; R523-N664 PolarHBondContact NH2-OD1 2.92Å
524	C	91.5	Very high	88.6	Confident	44 Å²	44	58.9 Å²	58.9	30%	0.297	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-8.8	-177	66.1	0	0	0	0	114.3	C521 T526 I543 H582	C521-C524 VanDerWaalsContact SG-SG 3.63Å; C524-T526 VanDerWaalsContact C-N 3.26Å; C524-T526 PolarHBondContact O-N 3.19Å; C524-T526 PolarHBondContact SG-OG1 3.13Å; C524-I543 WeakPolarHBondContact CB-O 3.41Å; C524-H582 PolarHBondContact SG-CE1 3.49Å; C524-H582 PolarHBondContact SG-ND1 3.13Å
525	G	89.7	Confident	89.5	Confident	50 Å²	50	61.7 Å²	61.7	52%	0.515	33%	0.329	S	S	.	.			trans	79.2	-3.3	-178.6	0	0	0	0	0	115.6	C521 R527	C521-G525 VanDerWaalsContact O-CA 3.27Å; C521-G525 WeakPolarHBondContact O-CA 3.27Å; C521-G525 PolarHBondContact O-N 3.44Å; G525-R527 PolarHBondContact O-N 3.32Å
526	T	90.8	Very high	90	Very high	63 Å²	63	60.8 Å²	60.8	39%	0.387	32%	0.324	S	S	.	.			trans	-60.4	132.9	177.6	-55.1	0	0	0	0	111.2	C521 C524	C521-T526 WeakPolarHBondContact CB-O 3.35Å; C521-T526 PolarHBondContact N-O 3.34Å; C524-T526 VanDerWaalsContact C-N 3.26Å; C524-T526 PolarHBondContact O-N 3.19Å; C524-T526 PolarHBondContact SG-OG1 3.13Å
527	R	91.8	Very high	90.4	Very high	121 Å²	121	60.9 Å²	60.9	46%	0.457	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.7	166.6	-84.6	172.7	173.4	-75.4	-6	109.3	V510 C514 E518 R519 V520 G525	V510-R527 PolarHBondContact O-NH2 3.36Å; C514-R527 PolarHBondContact SG-NH1 3.36Å; C514-R527 VanDerWaalsContact SG-NH1 3.45Å; E518-R527 VanDerWaalsContact OE1-CB 3.25Å; E518-R527 WeakPolarHBondContact OE1-CB 3.41Å; E518-R527 WeakPolarHBondContact OE1-CD 3.17Å; E518-R527 WeakPolarHBondContact OE1-CG 3.5Å; E518-R527 IonicContact OE1-CZ 3.32Å; E518-R527 IonicContact OE1-NE 3.51Å; E518-R527 IonicContact OE1-NH1 3.64Å; E518-R527 PolarHBondContact OE1-NH1 3.28Å; E518-R527 IonicContact OE2-NH1 3.46Å; E518-R527 PolarHBondContact OE2-NH1 3.15Å; R519-R527 WeakPolarHBondContact O-CA 3.43Å; V520-R527 HydrophobicContact CG2-CG 3.94Å; G525-R527 PolarHBondContact O-N 3.32Å
528	F	92.3	Very high	90.1	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.9	-176.6	67.2	-86.8	0	0	0	111.2	R519 C521 V530 S536 T538 H582 H584	R519-F528 HydrophobicContact CB-CD1 4.14Å; R519-F528 HydrophobicContact CB-CD2 4.14Å; R519-F528 HydrophobicContact CB-CE1 3.68Å; R519-F528 HydrophobicContact CB-CE2 3.72Å; R519-F528 HydrophobicContact CB-CG 4.37Å; R519-F528 HydrophobicContact CB-CZ 3.48Å; R519-F528 VanDerWaalsContact CB-CZ 3.48Å; R519-F528 HydrophobicContact CG-CE2 4.24Å; R519-F528 HydrophobicContact CG-CZ 4.29Å; R519-F528 PolarHBondContact N-O 2.92Å; R519-F528 WeakPolarHBondContact O-CD1 3.31Å; R519-F528 PolarHBondContact O-N 3.38Å; C521-F528 HydrophobicContact CB-CD1 4.15Å; C521-F528 HydrophobicContact CB-CE1 3.9Å; F528-V530 HydrophobicContact CD2-CG1 3.86Å; F528-V530 HydrophobicContact CE2-CG1 3.6Å; F528-S536 WeakPolarHBondContact CD2-OG 3.28Å; F528-T538 WeakPolarHBondContact CB-OG1 3.11Å; F528-H582 HydrophobicContact CD1-CB 3.65Å; F528-H582 HydrophobicContact CD2-CB 4.32Å; F528-H582 HydrophobicContact CE1-CB 3.54Å; F528-H582 HydrophobicContact CE2-CB 4.2Å; F528-H582 HydrophobicContact CG-CB 4.03Å; F528-H582 HydrophobicContact CZ-CB 3.8Å; F528-H584 HydrophobicContact CE1-CB 4.45Å; F528-H584 HydrophobicContact CZ-CB 4.2Å; F528-H584 AromaticContact CZ-CD2 3.93Å
529	L	92.1	Very high	89.5	Confident	70 Å²	70	68.2 Å²	68.2	37%	0.366	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	149.4	175.8	-63.8	178.5	0	0	0	110.5	N517 E518 S536 L537	N517-L529 CarbonylContact O-C 3.3Å; N517-L529 WeakPolarHBondContact O-CA 3.35Å; E518-L529 HydrophobicContact CB-CD2 3.95Å; E518-L529 HydrophobicContact CG-CD2 4.2Å; L529-S536 CarbonylContact O-C 3.58Å; L529-S536 VanDerWaalsContact O-CA 3.27Å; L529-S536 WeakPolarHBondContact O-CA 3.38Å; L529-S536 PolarHBondContact O-OG 2.7Å; L529-L537 HydrophobicContact CB-CB 4.22Å; L529-L537 HydrophobicContact CB-CD1 4.24Å; L529-L537 PolarHBondContact O-N 2.66Å
530	V	91.7	Very high	89	Confident	3 Å²	3	67.5 Å²	67.5	2%	0.018	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-124.9	155.3	175.1	-63.8	0	0	0	0	111.9	N517 R519 F528 G534 H535 L537	N517-V530 WeakPolarHBondContact O-CG2 3.34Å; N517-V530 PolarHBondContact O-N 2.8Å; R519-V530 HydrophobicContact CB-CG1 4.45Å; R519-V530 HydrophobicContact CG-CG1 3.75Å; R519-V530 HydrophobicContact CG-CG2 3.97Å; F528-V530 HydrophobicContact CD2-CG1 3.86Å; F528-V530 HydrophobicContact CE2-CG1 3.6Å; V530-G534 WeakPolarHBondContact CG1-O 3.3Å; V530-H535 CarbonylContact C-O 3.55Å; V530-H535 WeakPolarHBondContact CA-O 3.4Å; V530-L537 WeakPolarHBondContact O-CD1 3.3Å
531	D	91.2	Very high	88.8	Confident	50 Å²	50	72.6 Å²	72.6	27%	0.267	38%	0.384	S	S	.	.			trans	-81.3	-175.1	170.5	74.9	-0.6	0	0	0	112.1	Y533 G534 H535 L537	D531-Y533 PolarHBondContact O-N 3.04Å; D531-Y533 VanDerWaalsContact OD1-C 3.24Å; D531-Y533 WeakPolarHBondContact OD1-CA 3.24Å; D531-Y533 PolarHBondContact OD1-N 3.25Å; D531-G534 PolarHBondContact O-N 3.26Å; D531-G534 PolarHBondContact OD1-N 3.44Å; D531-H535 PolarHBondContact N-O 2.9Å; D531-H535 IonicContact OD1-CG 2.62Å; D531-H535 PolarHBondContact OD1-N 2.88Å; D531-H535 IonicContact OD1-ND1 3.86Å; D531-H535 PolarHBondContact OD1-ND1 2.85Å; D531-H535 IonicContact OD2-CG 2.76Å; D531-H535 IonicContact OD2-ND1 3.03Å; D531-H535 PolarHBondContact OD2-ND1 2.95Å; D531-L537 HydrophobicContact CB-CD2 3.97Å; D531-L537 HydrophobicContact CB-CG 4.32Å
532	E	87.6	Confident	88.8	Confident	184 Å²	184	72.5 Å²	72.5	86%	0.86	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.2	178.5	-61.3	180	170.5	0	0	113.6
533	Y	86.5	Confident	88.8	Confident	163 Å²	163	73.2 Å²	73.2	64%	0.639	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	4.5	179.8	-51.5	-77.4	0	0	0	112.7	D531 T631	D531-Y533 PolarHBondContact O-N 3.04Å; D531-Y533 VanDerWaalsContact OD1-C 3.24Å; D531-Y533 WeakPolarHBondContact OD1-CA 3.24Å; D531-Y533 PolarHBondContact OD1-N 3.25Å; Y533-T631 PolarHBondContact O-OG1 3.14Å; Y533-T631 VanDerWaalsContact O-OG1 3.04Å
534	G	87.2	Confident	88.9	Confident	14 Å²	14	72 Å²	72	14%	0.144	38%	0.378	C	S	.	.	S	Bend	trans	83.2	-0.1	-179.9	0	0	0	0	0	116	V530 D531	V530-G534 WeakPolarHBondContact CG1-O 3.3Å; D531-G534 PolarHBondContact O-N 3.26Å; D531-G534 PolarHBondContact OD1-N 3.44Å
535	H	88.9	Confident	89	Confident	85 Å²	85	71.3 Å²	71.3	39%	0.394	37%	0.371	S	S	.	.			trans	-67.9	141.5	175.8	-50	105.6	0	0	0	110.3	V530 D531 L537	V530-H535 CarbonylContact C-O 3.55Å; V530-H535 WeakPolarHBondContact CA-O 3.4Å; D531-H535 PolarHBondContact N-O 2.9Å; D531-H535 IonicContact OD1-CG 2.62Å; D531-H535 PolarHBondContact OD1-N 2.88Å; D531-H535 IonicContact OD1-ND1 3.86Å; D531-H535 PolarHBondContact OD1-ND1 2.85Å; D531-H535 IonicContact OD2-CG 2.76Å; D531-H535 IonicContact OD2-ND1 3.03Å; D531-H535 PolarHBondContact OD2-ND1 2.95Å; H535-L537 PolarHBondContact O-N 2.9Å
536	S	89.8	Confident	89	Confident	45 Å²	45	73.5 Å²	73.5	32%	0.315	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-73.6	122.9	178.2	-169.2	0	0	0	0	112.4	F528 L529 T538	F528-S536 WeakPolarHBondContact CD2-OG 3.28Å; L529-S536 CarbonylContact O-C 3.58Å; L529-S536 VanDerWaalsContact O-CA 3.27Å; L529-S536 WeakPolarHBondContact O-CA 3.38Å; L529-S536 PolarHBondContact O-OG 2.7Å; S536-T538 PolarHBondContact O-N 3.4Å; S536-T538 PolarHBondContact OG-N 2.82Å; S536-T538 PolarHBondContact OG-O 3.23Å; S536-T538 PolarHBondContact OG-OG1 2.95Å
537	L	88.4	Confident	88.9	Confident	110 Å²	110	70.7 Å²	70.7	58%	0.576	35%	0.347	S	S	*	.	S	Bend	trans	-69.3	-20.4	172.4	-65.9	173	0	0	0	112.4	L529 V530 D531 H535	L529-L537 HydrophobicContact CB-CB 4.22Å; L529-L537 HydrophobicContact CB-CD1 4.24Å; L529-L537 PolarHBondContact O-N 2.66Å; V530-L537 WeakPolarHBondContact O-CD1 3.3Å; D531-L537 HydrophobicContact CB-CD2 3.97Å; D531-L537 HydrophobicContact CB-CG 4.32Å; H535-L537 PolarHBondContact O-N 2.9Å
538	T	81.4	Confident	88.8	Confident	61 Å²	61	73.4 Å²	73.4	37%	0.374	36%	0.362	S	S	.	.	S	Bend	trans	-98.8	102.3	179.5	47.3	0	0	0	0	110.5	F528 S536 G540	F528-T538 WeakPolarHBondContact CB-OG1 3.11Å; S536-T538 PolarHBondContact O-N 3.4Å; S536-T538 PolarHBondContact OG-N 2.82Å; S536-T538 PolarHBondContact OG-O 3.23Å; S536-T538 PolarHBondContact OG-OG1 2.95Å; T538-G540 PolarHBondContact O-N 3.05Å; T538-G540 VanDerWaalsContact O-N 3.17Å
539	Q	76.7	Confident	88.7	Confident	201 Å²	201	75.1 Å²	75.1	94%	0.939	38%	0.377	S	S	*	.			trans	-64.8	113.6	173.5	-67.5	-178.2	-8.4	0	0	110.4
540	G	80.1	Confident	88.5	Confident	39 Å²	39	74.8 Å²	74.8	40%	0.402	38%	0.378	S	S	.	.			trans	-166.7	136.9	179.9	0	0	0	0	0	112	T538	T538-G540 PolarHBondContact O-N 3.05Å; T538-G540 VanDerWaalsContact O-N 3.17Å
541	E	88.7	Confident	88.4	Confident	123 Å²	123	82 Å²	82	58%	0.575	41%	0.409	S	S	*	.			trans	-73.1	129.9	174.4	-65.7	-173.1	155.8	0	0	110.4	I543 I577	E541-I543 HydrophobicContact CB-CG1 4.36Å; E541-I543 PolarHBondContact O-N 3.14Å; E541-I543 VanDerWaalsContact O-N 3.15Å; E541-I577 HydrophobicContact CB-CG2 3.94Å; E541-I577 HydrophobicContact CG-CG2 4.34Å
542	C	93.2	Very high	88	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	100	173.7	175.5	0	0	0	0	109.7	Y544 I577 C578 G581 H582	C542-Y544 WeakPolarHBondContact O-CD1 3.42Å; C542-I577 WeakPolarHBondContact O-CA 3.36Å; C542-C578 HydrophobicContact CB-CB 4.05Å; C542-C578 PolarHBondContact O-N 2.65Å; C542-G581 VanDerWaalsContact CB-O 3.25Å; C542-G581 WeakPolarHBondContact CB-O 3.36Å; C542-H582 WeakPolarHBondContact CB-ND1 3.41Å
543	I	93.6	Very high	87.7	Confident	66 Å²	66	84.8 Å²	84.8	34%	0.338	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.2	176	-48.8	-179.3	0	0	0	108.9	C524 E541 G574 Q576 I577	C524-I543 WeakPolarHBondContact CB-O 3.41Å; E541-I543 HydrophobicContact CB-CG1 4.36Å; E541-I543 PolarHBondContact O-N 3.14Å; E541-I543 VanDerWaalsContact O-N 3.15Å; I543-G574 VanDerWaalsContact CG2-O 3.26Å; I543-G574 WeakPolarHBondContact CG2-O 3.29Å; I543-Q576 WeakPolarHBondContact CA-O 3.4Å; I543-I577 HydrophobicContact CG1-CG1 4.33Å
544	Y	93.3	Very high	87.2	Confident	13 Å²	13	78 Å²	78	5%	0.051	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	164.1	-170.1	71.2	-74.8	0	0	0	114.5	R523 C542 W546 G574 C575 Q576 C578	R523-Y544 HydrophobicContact CB-CD1 4.4Å; R523-Y544 HydrophobicContact CB-CD2 3.81Å; R523-Y544 HydrophobicContact CB-CE2 4.45Å; R523-Y544 HydrophobicContact CB-CG 3.78Å; R523-Y544 HydrophobicContact CG-CD2 4.07Å; R523-Y544 HydrophobicContact CG-CE2 4.24Å; R523-Y544 HydrophobicContact CG-CG 4.42Å; R523-Y544 PolarHBondContact NH1-OH 2.66Å; C542-Y544 WeakPolarHBondContact O-CD1 3.42Å; Y544-W546 HydrophobicContact CD2-CB 4.41Å; Y544-W546 HydrophobicContact CE2-CB 3.9Å; Y544-G574 CarbonylContact O-C 3.49Å; Y544-G574 VanDerWaalsContact O-CA 3.23Å; Y544-G574 WeakPolarHBondContact O-CA 3.38Å; Y544-C575 PolarHBondContact O-N 2.87Å; Y544-Q576 VanDerWaalsContact CD1-O 3.29Å; Y544-Q576 WeakPolarHBondContact CD1-O 3.32Å; Y544-Q576 HydrophobicContact CE1-CB 4.09Å; Y544-Q576 HydrophobicContact CE1-CG 3.9Å; Y544-Q576 PolarHBondContact N-O 3.15Å; Y544-Q576 PolarHBondContact O-N 2.96Å; Y544-Q576 VanDerWaalsContact OH-CD 3.29Å; Y544-Q576 PolarHBondContact OH-NE2 2.8Å; Y544-C578 HydrophobicContact CE1-CB 3.99Å
545	H	93.5	Very high	86.5	Confident	31 Å²	31	87.8 Å²	87.8	14%	0.144	43%	0.427	C	S	.	.			trans	-104.2	114.2	169.6	-70.5	-61.7	0	0	0	109	G547 Y563 Q572 L573 C575	H545-G547 VanDerWaalsContact C-N 3.31Å; H545-Y563 HydrophobicContact CB-CD1 3.68Å; H545-Y563 HydrophobicContact CB-CE1 4.05Å; H545-Y563 HydrophobicContact CB-CG 3.99Å; H545-Y563 AromaticContact CD2-CD1 3.9Å; H545-Y563 AromaticContact CD2-CD2 3.53Å; H545-Y563 AromaticContact CD2-CE1 3.78Å; H545-Y563 AromaticContact CD2-CE2 3.4Å; H545-Y563 WeakPolarHBondContact CD2-CE2 3.41Å; H545-Y563 AromaticContact CD2-CG 3.78Å; H545-Y563 AromaticContact CD2-CZ 3.54Å; H545-Y563 AromaticContact CE1-CD2 3.98Å; H545-Y563 AromaticContact CG-CD1 3.82Å; H545-Y563 AromaticContact CG-CD2 3.86Å; H545-Y563 AromaticContact CG-CG 3.69Å; H545-Y563 AromaticContact NE2-CD2 3.6Å; H545-Y563 AromaticContact NE2-CE2 3.57Å; H545-Q572 PolarHBondContact NE2-O 3.36Å; H545-L573 PolarHBondContact CE1-O 2.87Å; H545-L573 PolarHBondContact NE2-O 3.12Å; H545-C575 PolarHBondContact CE1-N 3.33Å; H545-C575 PolarHBondContact ND1-N 3.33Å
546	W	90.8	Very high	85.8	Confident	96 Å²	96	87.7 Å²	87.7	36%	0.364	45%	0.449	S	S	.	.			trans	-72.3	-26	177.5	67.7	-100.5	0	0	0	112.8	Y544 C565 Q576	Y544-W546 HydrophobicContact CD2-CB 4.41Å; Y544-W546 HydrophobicContact CE2-CB 3.9Å; W546-C565 HydrophobicContact CD2-CB 3.7Å; W546-C565 HydrophobicContact CE3-CB 4.46Å; W546-C565 HydrophobicContact CG-CB 3.9Å; W546-C565 HydrophobicContact CH2-CB 4.46Å; W546-C565 HydrophobicContact CZ2-CB 3.71Å; W546-Q576 VanDerWaalsContact CD1-OE1 3.25Å
547	G	89.3	Confident	84.9	Confident	4 Å²	4	93.5 Å²	93.5	4%	0.041	47%	0.471	C	S	.	.	S	Bend	trans	-92	129.5	-178.4	0	0	0	0	0	111.9	H545 Y563 C565	H545-G547 VanDerWaalsContact C-N 3.31Å; G547-Y563 WeakPolarHBondContact O-CD1 3.45Å; G547-C565 PolarHBondContact N-SG 3.07Å; G547-C565 VanDerWaalsContact N-SG 3.44Å
548	K	88.7	Confident	84.5	Confident	178 Å²	178	89.8 Å²	89.8	77%	0.774	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-60.9	148.2	179.4	-63.1	179.9	-178.5	177.3	0	111.5	L564	K548-L564 WeakPolarHBondContact O-CG 3.47Å; K548-L564 PolarHBondContact O-N 2.9Å; K548-L564 VanDerWaalsContact O-N 3.08Å
549	A	90.5	Very high	84.6	Confident	41 Å²	41	94 Å²	94	34%	0.339	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.7	174.2	0	0	0	0	0	111.2	R562 Y563 I570	A549-R562 CarbonylContact C-O 3.44Å; A549-R562 WeakPolarHBondContact CA-O 3.27Å; A549-Y563 HydrophobicContact CB-CD1 3.94Å; A549-Y563 HydrophobicContact CB-CE1 4.02Å; A549-I570 HydrophobicContact CB-CD1 4.12Å; A549-I570 HydrophobicContact CB-CG1 4.09Å
550	V	88.5	Confident	85	Confident	64 Å²	64	86.4 Å²	86.4	39%	0.388	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.8	-176.2	175.4	0	0	0	0	110.6	Q552 R562 L564	V550-Q552 PolarHBondContact O-N 3.16Å; V550-R562 PolarHBondContact N-O 2.94Å; V550-R562 PolarHBondContact O-N 2.84Å; V550-L564 HydrophobicContact CB-CD2 4.33Å; V550-L564 HydrophobicContact CB-CG 4.32Å; V550-L564 HydrophobicContact CG2-CD1 3.72Å; V550-L564 HydrophobicContact CG2-CD2 4.14Å; V550-L564 HydrophobicContact CG2-CG 3.77Å
551	K	88.3	Confident	85.4	Confident	155 Å²	155	88 Å²	88	67%	0.674	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	100.8	174.6	-68	-173.8	179.2	-176.2	0	110	D560 L561	K551-D560 CarbonylContact C-O 3.59Å; K551-D560 WeakPolarHBondContact CA-O 3.3Å; K551-L561 HydrophobicContact CB-CD2 4.41Å; K551-L561 HydrophobicContact CG-CD2 3.43Å; K551-L561 VanDerWaalsContact CG-CD2 3.43Å; K551-L561 HydrophobicContact CG-CG 4.04Å
552	Q	82.2	Confident	85.5	Confident	89 Å²	89	85 Å²	85	42%	0.416	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.4	176.6	-161.7	173.4	20.1	0	0	109.9	V550 S554 F559 D560 R562	V550-Q552 PolarHBondContact O-N 3.16Å; Q552-S554 PolarHBondContact O-N 3.02Å; Q552-F559 CarbonylContact O-C 3.55Å; Q552-F559 WeakPolarHBondContact O-CA 3.37Å; Q552-D560 PolarHBondContact N-O 2.84Å; Q552-D560 PolarHBondContact O-N 2.91Å; Q552-R562 VanDerWaalsContact OE1-CD 3.29Å
553	R	82.3	Confident	85.4	Confident	203 Å²	203	87.3 Å²	87.3	77%	0.766	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	103.6	-178.7	-170.9	-178.3	-179	-177.2	0.1	110.7	G558 F559	R553-G558 CarbonylContact C-O 3.37Å; R553-G558 WeakPolarHBondContact CA-O 3.41Å; R553-G558 WeakPolarHBondContact CG-O 3.32Å; R553-F559 HydrophobicContact CB-CD1 4.02Å; R553-F559 HydrophobicContact CB-CE1 3.88Å; R553-F559 HydrophobicContact CG-CD1 4.38Å; R553-F559 HydrophobicContact CG-CE1 4.13Å; R553-F559 HydrophobicContact CG-CZ 4.48Å
554	S	76	Confident	85.3	Confident	20 Å²	20	89.2 Å²	89.2	14%	0.14	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.7	176.5	-66.3	0	0	0	0	111.4	Q552 G556 Q557 G558 D560	Q552-S554 PolarHBondContact O-N 3.02Å; S554-G556 PolarHBondContact O-N 2.93Å; S554-Q557 PolarHBondContact O-N 2.91Å; S554-G558 PolarHBondContact N-O 3.44Å; S554-G558 PolarHBondContact O-N 2.95Å; S554-D560 WeakPolarHBondContact CB-OD2 3.18Å; S554-D560 PolarHBondContact OG-OD2 3.19Å
555	F	73.1	Confident	85.2	Confident	220 Å²	220	89.9 Å²	89.9	97%	0.965	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	105.4	-170.5	-149.7	-86.3	0	0	0	110.8
556	G	74.5	Confident	85.1	Confident	83 Å²	83	91 Å²	91	86%	0.856	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-12.6	-179.2	0	0	0	0	0	116.1	S554	S554-G556 PolarHBondContact O-N 2.93Å
557	Q	69.7	Low	85	Confident	167 Å²	167	90.5 Å²	90.5	78%	0.78	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-16.4	-177.8	-76.5	178	-35.9	0	0	115	S554	S554-Q557 PolarHBondContact O-N 2.91Å
558	G	81.1	Confident	84.9	Confident	32 Å²	32	91.2 Å²	91.2	33%	0.33	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	122.5	-124.8	170.4	0	0	0	0	0	113.2	R553 S554	R553-G558 CarbonylContact C-O 3.37Å; R553-G558 WeakPolarHBondContact CA-O 3.41Å; R553-G558 WeakPolarHBondContact CG-O 3.32Å; S554-G558 PolarHBondContact N-O 3.44Å; S554-G558 PolarHBondContact O-N 2.95Å
559	F	82	Confident	85	Confident	149 Å²	149	86 Å²	86	65%	0.654	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	112.3	175.7	-70.6	-81.8	0	0	0	109.7	Q552 R553	Q552-F559 CarbonylContact O-C 3.55Å; Q552-F559 WeakPolarHBondContact O-CA 3.37Å; R553-F559 HydrophobicContact CB-CD1 4.02Å; R553-F559 HydrophobicContact CB-CE1 3.88Å; R553-F559 HydrophobicContact CG-CD1 4.38Å; R553-F559 HydrophobicContact CG-CE1 4.13Å; R553-F559 HydrophobicContact CG-CZ 4.48Å
560	D	86.2	Confident	84.9	Confident	42 Å²	42	88.8 Å²	88.8	23%	0.225	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	156.1	173.7	-58.2	-16.6	0	0	0	109.4	K551 Q552 S554 R562	K551-D560 CarbonylContact C-O 3.59Å; K551-D560 WeakPolarHBondContact CA-O 3.3Å; Q552-D560 PolarHBondContact N-O 2.84Å; Q552-D560 PolarHBondContact O-N 2.91Å; S554-D560 WeakPolarHBondContact CB-OD2 3.18Å; S554-D560 PolarHBondContact OG-OD2 3.19Å; D560-R562 HydrophobicContact CB-CG 4.3Å; D560-R562 IonicContact OD2-CZ 3.37Å; D560-R562 IonicContact OD2-NE 3.23Å; D560-R562 IonicContact OD2-NH2 3.72Å; D560-R562 PolarHBondContact OD2-NH2 2.89Å
561	L	88.6	Confident	84.7	Confident	73 Å²	73	89.1 Å²	89.1	38%	0.382	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.9	171	-79.8	159.4	0	0	0	109.1	K551 I570	K551-L561 HydrophobicContact CB-CD2 4.41Å; K551-L561 HydrophobicContact CG-CD2 3.43Å; K551-L561 VanDerWaalsContact CG-CD2 3.43Å; K551-L561 HydrophobicContact CG-CG 4.04Å; L561-I570 HydrophobicContact CB-CD1 3.47Å; L561-I570 VanDerWaalsContact CB-CD1 3.47Å; L561-I570 HydrophobicContact CB-CG1 3.85Å; L561-I570 HydrophobicContact CD1-CD1 3.78Å; L561-I570 HydrophobicContact CD2-CD1 4.38Å; L561-I570 HydrophobicContact CG-CD1 4.07Å; L561-I570 PolarHBondContact O-N 2.85Å
562	R	90.7	Very high	84.7	Confident	58 Å²	58	87.1 Å²	87.1	22%	0.219	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.7	-175.3	-65.9	176.8	-178.5	-69.9	-13.6	111.2	A549 V550 Q552 D560 N567 G568 D569	A549-R562 CarbonylContact C-O 3.44Å; A549-R562 WeakPolarHBondContact CA-O 3.27Å; V550-R562 PolarHBondContact N-O 2.94Å; V550-R562 PolarHBondContact O-N 2.84Å; Q552-R562 VanDerWaalsContact OE1-CD 3.29Å; D560-R562 HydrophobicContact CB-CG 4.3Å; D560-R562 IonicContact OD2-CZ 3.37Å; D560-R562 IonicContact OD2-NE 3.23Å; D560-R562 IonicContact OD2-NH2 3.72Å; D560-R562 PolarHBondContact OD2-NH2 2.89Å; R562-N567 WeakPolarHBondContact CD-O 3.4Å; R562-N567 WeakPolarHBondContact CG-O 3.29Å; R562-N567 PolarHBondContact NH1-O 3.37Å; R562-G568 CarbonylContact C-O 3.58Å; R562-G568 VanDerWaalsContact CA-O 3.27Å; R562-G568 WeakPolarHBondContact CA-O 3.36Å; R562-D569 IonicContact CZ-OD1 2.67Å; R562-D569 IonicContact NH1-OD1 2.71Å; R562-D569 PolarHBondContact NH1-OD1 3.35Å; R562-D569 IonicContact NH2-OD1 2.86Å; R562-D569 PolarHBondContact NH2-OD1 2.98Å
563	Y	91.1	Very high	85	Confident	49 Å²	49	89.8 Å²	89.8	19%	0.192	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.5	175.7	-65.2	-80.8	0	0	0	111	H545 G547 A549 C565 C566 N567 G568 D569	H545-Y563 HydrophobicContact CB-CD1 3.68Å; H545-Y563 HydrophobicContact CB-CE1 4.05Å; H545-Y563 HydrophobicContact CB-CG 3.99Å; H545-Y563 AromaticContact CD2-CD1 3.9Å; H545-Y563 AromaticContact CD2-CD2 3.53Å; H545-Y563 AromaticContact CD2-CE1 3.78Å; H545-Y563 AromaticContact CD2-CE2 3.4Å; H545-Y563 WeakPolarHBondContact CD2-CE2 3.41Å; H545-Y563 AromaticContact CD2-CG 3.78Å; H545-Y563 AromaticContact CD2-CZ 3.54Å; H545-Y563 AromaticContact CE1-CD2 3.98Å; H545-Y563 AromaticContact CG-CD1 3.82Å; H545-Y563 AromaticContact CG-CD2 3.86Å; H545-Y563 AromaticContact CG-CG 3.69Å; H545-Y563 AromaticContact NE2-CD2 3.6Å; H545-Y563 AromaticContact NE2-CE2 3.57Å; G547-Y563 WeakPolarHBondContact O-CD1 3.45Å; A549-Y563 HydrophobicContact CB-CD1 3.94Å; A549-Y563 HydrophobicContact CB-CE1 4.02Å; Y563-C565 PolarHBondContact O-N 3.19Å; Y563-C566 PolarHBondContact O-N 3.16Å; Y563-N567 WeakPolarHBondContact O-CA 3.46Å; Y563-N567 PolarHBondContact O-N 2.97Å; Y563-G568 WeakPolarHBondContact CD2-O 3.4Å; Y563-G568 PolarHBondContact N-O 3.42Å; Y563-D569 WeakPolarHBondContact CE2-O 3.35Å
564	L	90.5	Very high	85.4	Confident	106 Å²	106	81 Å²	81	56%	0.555	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.2	-177.5	-75.7	172.5	0	0	0	114.8	K548 V550	K548-L564 WeakPolarHBondContact O-CG 3.47Å; K548-L564 PolarHBondContact O-N 2.9Å; K548-L564 VanDerWaalsContact O-N 3.08Å; V550-L564 HydrophobicContact CB-CD2 4.33Å; V550-L564 HydrophobicContact CB-CG 4.32Å; V550-L564 HydrophobicContact CG2-CD1 3.72Å; V550-L564 HydrophobicContact CG2-CD2 4.14Å; V550-L564 HydrophobicContact CG2-CG 3.77Å
565	C	90.8	Very high	86.2	Confident	27 Å²	27	82.9 Å²	82.9	18%	0.182	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-27.1	-176.6	46.9	0	0	0	0	114.8	W546 G547 Y563 C575	W546-C565 HydrophobicContact CD2-CB 3.7Å; W546-C565 HydrophobicContact CE3-CB 4.46Å; W546-C565 HydrophobicContact CG-CB 3.9Å; W546-C565 HydrophobicContact CH2-CB 4.46Å; W546-C565 HydrophobicContact CZ2-CB 3.71Å; G547-C565 PolarHBondContact N-SG 3.07Å; G547-C565 VanDerWaalsContact N-SG 3.44Å; Y563-C565 PolarHBondContact O-N 3.19Å; C565-C575 PolarHBondContact SG-SG 3.29Å
566	C	91.3	Very high	87.1	Confident	55 Å²	55	75 Å²	75	37%	0.372	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.8	-2.4	-172.8	63.6	0	0	0	0	114.3	Y563 G568 C575	Y563-C566 PolarHBondContact O-N 3.16Å; C566-G568 PolarHBondContact O-N 3.35Å; C566-G568 VanDerWaalsContact O-N 3.13Å; C566-G568 PolarHBondContact SG-N 3.11Å; C566-G568 VanDerWaalsContact SG-N 3.38Å; C566-C575 HydrophobicContact CB-CB 3.62Å
567	N	89	Confident	87.9	Confident	86 Å²	86	75.1 Å²	75.1	46%	0.46	42%	0.415	S	S	.	.			trans	58.1	12.3	-170.3	-58.5	-52.2	0	0	0	115.6	R562 Y563	R562-N567 WeakPolarHBondContact CD-O 3.4Å; R562-N567 WeakPolarHBondContact CG-O 3.29Å; R562-N567 PolarHBondContact NH1-O 3.37Å; Y563-N567 WeakPolarHBondContact O-CA 3.46Å; Y563-N567 PolarHBondContact O-N 2.97Å
568	G	88.9	Confident	88.9	Confident	19 Å²	19	67.2 Å²	67.2	20%	0.196	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-67.1	152.3	173.3	0	0	0	0	0	112.6	R562 Y563 C566	R562-G568 CarbonylContact C-O 3.58Å; R562-G568 VanDerWaalsContact CA-O 3.27Å; R562-G568 WeakPolarHBondContact CA-O 3.36Å; Y563-G568 WeakPolarHBondContact CD2-O 3.4Å; Y563-G568 PolarHBondContact N-O 3.42Å; C566-G568 PolarHBondContact O-N 3.35Å; C566-G568 VanDerWaalsContact O-N 3.13Å; C566-G568 PolarHBondContact SG-N 3.11Å; C566-G568 VanDerWaalsContact SG-N 3.38Å
569	D	89.2	Confident	89	Confident	67 Å²	67	71 Å²	71	36%	0.358	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-77.7	157	-176.2	-47.4	-58.4	0	0	0	112.2	R562 Y563 G571 Q572	R562-D569 IonicContact CZ-OD1 2.67Å; R562-D569 IonicContact NH1-OD1 2.71Å; R562-D569 PolarHBondContact NH1-OD1 3.35Å; R562-D569 IonicContact NH2-OD1 2.86Å; R562-D569 PolarHBondContact NH2-OD1 2.98Å; Y563-D569 WeakPolarHBondContact CE2-O 3.35Å; D569-G571 PolarHBondContact O-N 2.96Å; D569-Q572 HydrophobicContact CB-CG 4.4Å; D569-Q572 WeakPolarHBondContact O-CB 3.27Å; D569-Q572 WeakPolarHBondContact O-CG 3.44Å; D569-Q572 PolarHBondContact O-N 3.45Å; D569-Q572 VanDerWaalsContact O-N 3.15Å
570	I	88.5	Confident	89.2	Confident	100 Å²	100	71 Å²	71	51%	0.513	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	131.2	174.3	-72.9	-174.6	0	0	0	111.1	A549 L561	A549-I570 HydrophobicContact CB-CD1 4.12Å; A549-I570 HydrophobicContact CB-CG1 4.09Å; L561-I570 HydrophobicContact CB-CD1 3.47Å; L561-I570 VanDerWaalsContact CB-CD1 3.47Å; L561-I570 HydrophobicContact CB-CG1 3.85Å; L561-I570 HydrophobicContact CD1-CD1 3.78Å; L561-I570 HydrophobicContact CD2-CD1 4.38Å; L561-I570 HydrophobicContact CG-CD1 4.07Å; L561-I570 PolarHBondContact O-N 2.85Å
571	G	85.4	Confident	89.4	Confident	71 Å²	71	69.6 Å²	69.6	73%	0.732	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-6.4	-179.5	0	0	0	0	0	114.7	D569	D569-G571 PolarHBondContact O-N 2.96Å
572	Q	87.5	Confident	89.6	Confident	114 Å²	114	66.9 Å²	66.9	53%	0.533	37%	0.373	S	S	.	.	S	Bend	trans	-67.3	145.1	165.9	-67	-64.1	-16.4	0	0	110.9	H545 D569	H545-Q572 PolarHBondContact NE2-O 3.36Å; D569-Q572 HydrophobicContact CB-CG 4.4Å; D569-Q572 WeakPolarHBondContact O-CB 3.27Å; D569-Q572 WeakPolarHBondContact O-CG 3.44Å; D569-Q572 PolarHBondContact O-N 3.45Å; D569-Q572 VanDerWaalsContact O-N 3.15Å
573	L	89.4	Confident	89.8	Confident	145 Å²	145	64.1 Å²	64.1	76%	0.759	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-55.9	152	171	-66.1	175.7	0	0	0	111	H545	H545-L573 PolarHBondContact CE1-O 2.87Å; H545-L573 PolarHBondContact NE2-O 3.12Å
574	G	90.1	Very high	89.9	Confident	18 Å²	18	62.2 Å²	62.2	19%	0.186	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-56.8	145.9	-177.5	0	0	0	0	0	114.3	I543 Y544	I543-G574 VanDerWaalsContact CG2-O 3.26Å; I543-G574 WeakPolarHBondContact CG2-O 3.29Å; Y544-G574 CarbonylContact O-C 3.49Å; Y544-G574 VanDerWaalsContact O-CA 3.23Å; Y544-G574 WeakPolarHBondContact O-CA 3.38Å
575	C	92.4	Very high	90	Very high	60 Å²	60	58.4 Å²	58.4	41%	0.405	34%	0.336	S	S	.	.	S	Bend	trans	-88.2	-4.1	177.4	73.8	0	0	0	0	114.6	Y544 H545 C565 C566	Y544-C575 PolarHBondContact O-N 2.87Å; H545-C575 PolarHBondContact CE1-N 3.33Å; H545-C575 PolarHBondContact ND1-N 3.33Å; C565-C575 PolarHBondContact SG-SG 3.29Å; C566-C575 HydrophobicContact CB-CB 3.62Å
576	Q	92.3	Very high	90.1	Very high	55 Å²	55	57.2 Å²	57.2	26%	0.257	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.1	177.1	-175.3	166.3	-11.9	0	0	109.7	I543 Y544 W546	I543-Q576 WeakPolarHBondContact CA-O 3.4Å; Y544-Q576 VanDerWaalsContact CD1-O 3.29Å; Y544-Q576 WeakPolarHBondContact CD1-O 3.32Å; Y544-Q576 HydrophobicContact CE1-CB 4.09Å; Y544-Q576 HydrophobicContact CE1-CG 3.9Å; Y544-Q576 PolarHBondContact N-O 3.15Å; Y544-Q576 PolarHBondContact O-N 2.96Å; Y544-Q576 VanDerWaalsContact OH-CD 3.29Å; Y544-Q576 PolarHBondContact OH-NE2 2.8Å; W546-Q576 VanDerWaalsContact CD1-OE1 3.25Å
577	I	91.9	Very high	90.1	Very high	84 Å²	84	55.7 Å²	55.7	43%	0.431	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.7	177.3	-52.3	-179.6	0	0	0	108.1	E541 C542 I543	E541-I577 HydrophobicContact CB-CG2 3.94Å; E541-I577 HydrophobicContact CG-CG2 4.34Å; C542-I577 WeakPolarHBondContact O-CA 3.36Å; I543-I577 HydrophobicContact CG1-CG1 4.33Å
578	C	90.7	Very high	90.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	107	167.5	-179.8	0	0	0	0	108.4	C542 Y544 R580 G581	C542-C578 HydrophobicContact CB-CB 4.05Å; C542-C578 PolarHBondContact O-N 2.65Å; Y544-C578 HydrophobicContact CE1-CB 3.99Å; C578-R580 PolarHBondContact O-N 3.3Å; C578-G581 PolarHBondContact O-N 3.28Å; C578-G581 PolarHBondContact SG-O 3.21Å
579	P	83.3	Confident	90.3	Very high	112 Å²	112	55.3 Å²	55.3	73%	0.727	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-24.8	-166.2	27.9	-35.4	0	0	0	113.9	G581	P579-G581 VanDerWaalsContact C-N 3.25Å; P579-G581 PolarHBondContact O-N 2.97Å
580	R	86.2	Confident	90.3	Very high	150 Å²	150	56.9 Å²	56.9	57%	0.566	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	7	176.6	-58.5	174.6	86.6	146.8	-2	112.7	C578 I660 I661	C578-R580 PolarHBondContact O-N 3.3Å; R580-I660 PolarHBondContact NE-O 3.17Å; R580-I660 PolarHBondContact NH2-O 2.78Å; R580-I661 HydrophobicContact CB-CG2 3.9Å; R580-I661 WeakPolarHBondContact CB-O 3.2Å; R580-I661 WeakPolarHBondContact CD-O 3.47Å
581	G	89.8	Confident	90.5	Very high	11 Å²	11	54.4 Å²	54.4	11%	0.113	30%	0.3	C	S	.	.			trans	103.7	-154	172	0	0	0	0	0	115.2	C542 C578 P579	C542-G581 VanDerWaalsContact CB-O 3.25Å; C542-G581 WeakPolarHBondContact CB-O 3.36Å; C578-G581 PolarHBondContact O-N 3.28Å; C578-G581 PolarHBondContact SG-O 3.21Å; P579-G581 VanDerWaalsContact C-N 3.25Å; P579-G581 PolarHBondContact O-N 2.97Å
582	H	93.7	Very high	90.8	Very high	16 Å²	16	53.7 Å²	53.7	7%	0.074	28%	0.279	C	S	.	.			trans	-83.8	134.6	-175.8	-68.3	-72.5	0	0	0	112.8	C521 C524 F528 C542	C521-H582 HydrophobicContact CB-CB 4Å; C524-H582 PolarHBondContact SG-CE1 3.49Å; C524-H582 PolarHBondContact SG-ND1 3.13Å; F528-H582 HydrophobicContact CD1-CB 3.65Å; F528-H582 HydrophobicContact CD2-CB 4.32Å; F528-H582 HydrophobicContact CE1-CB 3.54Å; F528-H582 HydrophobicContact CE2-CB 4.2Å; F528-H582 HydrophobicContact CG-CB 4.03Å; F528-H582 HydrophobicContact CZ-CB 3.8Å; C542-H582 WeakPolarHBondContact CB-ND1 3.41Å
583	V	94	Very high	91.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.			trans	-108.1	147.6	175.9	-63.2	0	0	0	0	111.8	C521 C522 R523 Y629 I661 D662	C521-V583 CarbonylContact C-O 3.56Å; C521-V583 WeakPolarHBondContact CA-O 3.47Å; C521-V583 PolarHBondContact SG-O 3.43Å; C522-V583 PolarHBondContact N-O 3.35Å; C522-V583 PolarHBondContact SG-O 3.07Å; R523-V583 VanDerWaalsContact CD-CG2 3.47Å; R523-V583 HydrophobicContact CG-CG2 3.78Å; V583-Y629 HydrophobicContact CB-CD1 3.85Å; V583-Y629 HydrophobicContact CB-CD2 4.21Å; V583-Y629 HydrophobicContact CB-CG 3.67Å; V583-Y629 VanDerWaalsContact CG1-CB 3.46Å; V583-Y629 HydrophobicContact CG1-CD2 4.33Å; V583-Y629 HydrophobicContact CG1-CG 3.89Å; V583-Y629 HydrophobicContact CG2-CD1 4.28Å; V583-Y629 HydrophobicContact CG2-CD2 4.13Å; V583-Y629 HydrophobicContact CG2-CE2 4.39Å; V583-Y629 HydrophobicContact CG2-CG 4.07Å; V583-I661 HydrophobicContact CG1-CB 3.97Å; V583-I661 HydrophobicContact CG1-CG2 3.52Å; V583-D662 HydrophobicContact CG1-CB 4.4Å
584	H	93.1	Very high	91.3	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.042	26%	0.261	C	S	.	.			trans	-131.3	161.9	178.4	69.6	91.6	0	0	0	112.6	R519 F528 A586 Y629 G632 G633	R519-H584 HydrophobicContact CB-CB 4.28Å; F528-H584 HydrophobicContact CE1-CB 4.45Å; F528-H584 HydrophobicContact CZ-CB 4.2Å; F528-H584 AromaticContact CZ-CD2 3.93Å; H584-A586 WeakPolarHBondContact CE1-CA 3.48Å; H584-A586 WeakPolarHBondContact CE1-CB 3.46Å; H584-A586 PolarHBondContact CE1-N 3.22Å; H584-Y629 WeakPolarHBondContact O-CD1 3.21Å; H584-G632 PolarHBondContact NE2-O 3.49Å; H584-G633 WeakPolarHBondContact NE2-CA 3.29Å; H584-G633 CarbonylContact O-C 3.6Å; H584-G633 VanDerWaalsContact O-C 3.32Å; H584-G633 WeakPolarHBondContact O-CA 3.48Å
585	D	93.5	Very high	91.7	Very high	26 Å²	26	47.9 Å²	47.9	14%	0.139	25%	0.254	C	S	.	.			trans	-118.5	13.4	-179.9	60	-17.6	0	0	0	112.8	K507 Y511 C522 N587 K588 W589	K507-D585 IonicContact NZ-OD1 3.75Å; K507-D585 PolarHBondContact NZ-OD1 3.05Å; K507-D585 IonicContact NZ-OD2 3.49Å; K507-D585 PolarHBondContact NZ-OD2 2.74Å; Y511-D585 PolarHBondContact OH-OD1 3.04Å; C522-D585 HydrophobicContact CB-CB 4.33Å; D585-N587 VanDerWaalsContact C-N 3.34Å; D585-N587 PolarHBondContact O-N 2.94Å; D585-K588 WeakPolarHBondContact O-CB 3.13Å; D585-K588 PolarHBondContact O-N 2.9Å; D585-W589 HydrophobicContact CB-CH2 4.36Å; D585-W589 HydrophobicContact CB-CZ3 4.25Å; D585-W589 WeakPolarHBondContact O-CZ3 3.34Å; D585-W589 WeakPolarHBondContact OD2-CH2 3.45Å
586	A	91.7	Very high	91.8	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.025	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.5	-170.8	0	0	0	0	0	115.1	Y511 H584 K588 W589 L590	Y511-A586 HydrophobicContact CD1-CB 4.45Å; Y511-A586 HydrophobicContact CE1-CB 3.91Å; Y511-A586 HydrophobicContact CE2-CB 4.42Å; H584-A586 WeakPolarHBondContact CE1-CA 3.48Å; H584-A586 WeakPolarHBondContact CE1-CB 3.46Å; H584-A586 PolarHBondContact CE1-N 3.22Å; A586-K588 PolarHBondContact O-N 3.41Å; A586-W589 PolarHBondContact O-N 2.9Å; A586-L590 HydrophobicContact CB-CD1 4.11Å; A586-L590 WeakPolarHBondContact O-CB 3.37Å; A586-L590 WeakPolarHBondContact O-CG 2.97Å; A586-L590 PolarHBondContact O-N 2.86Å; A586-L590 VanDerWaalsContact O-N 3.12Å
587	N	92.2	Very high	92	Very high	22 Å²	22	47 Å²	47	12%	0.118	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-33	178.1	65.8	-35.5	0	0	0	112.3	D585 W589 L590 D591 C634	D585-N587 VanDerWaalsContact C-N 3.34Å; D585-N587 PolarHBondContact O-N 2.94Å; N587-W589 PolarHBondContact O-N 3.48Å; N587-L590 PolarHBondContact O-N 3Å; N587-D591 HydrophobicContact CB-CB 3.94Å; N587-D591 WeakPolarHBondContact O-CB 3.49Å; N587-D591 PolarHBondContact O-N 3.17Å; N587-C634 PolarHBondContact ND2-N 2.91Å; N587-C634 PolarHBondContact ND2-O 3.05Å; N587-C634 PolarHBondContact OD1-N 3.25Å
588	K	91.8	Very high	92	Very high	42 Å²	42	43.3 Å²	43.3	18%	0.183	23%	0.229	C	C	.	.	H	α-helix	trans	-56.9	-13.2	178.1	-61.4	-160.8	174.9	-162.4	0	115.7	D585 A586 C634 S706 T709	D585-K588 WeakPolarHBondContact O-CB 3.13Å; D585-K588 PolarHBondContact O-N 2.9Å; A586-K588 PolarHBondContact O-N 3.41Å; K588-C634 WeakPolarHBondContact CE-SG 3.47Å; K588-S706 PolarHBondContact NZ-OG 3.37Å; K588-T709 HydrophobicContact CB-CG2 4.47Å
589	W	90.2	Very high	92.1	Very high	55 Å²	55	45.6 Å²	45.6	21%	0.208	24%	0.241	C	C	.	.	H	α-helix	trans	-132.9	-12.9	176	-50.1	-71.2	0	0	0	114.3	C502 L503 K507 Y511 D585 A586 N587	C502-W589 VanDerWaalsContact O-CD1 3.27Å; L503-W589 HydrophobicContact CB-CB 4.41Å; L503-W589 HydrophobicContact CD1-CB 3.59Å; L503-W589 HydrophobicContact CD1-CD2 4.21Å; L503-W589 HydrophobicContact CD1-CG 3.78Å; K507-W589 HydrophobicContact CD-CH2 4.31Å; K507-W589 HydrophobicContact CD-CZ3 4.15Å; K507-W589 VanDerWaalsContact CE-CZ3 3.43Å; K507-W589 HydrophobicContact CG-CH2 4.44Å; K507-W589 HydrophobicContact CG-CZ3 4.43Å; Y511-W589 HydrophobicContact CD2-CE3 4.45Å; Y511-W589 AromaticContact CE2-CE3 3.8Å; Y511-W589 HydrophobicContact CE2-CE3 3.8Å; Y511-W589 AromaticContact CE2-CZ3 3.92Å; Y511-W589 HydrophobicContact CE2-CZ3 3.92Å; D585-W589 HydrophobicContact CB-CH2 4.36Å; D585-W589 HydrophobicContact CB-CZ3 4.25Å; D585-W589 WeakPolarHBondContact O-CZ3 3.34Å; D585-W589 WeakPolarHBondContact OD2-CH2 3.45Å; A586-W589 PolarHBondContact O-N 2.9Å; N587-W589 PolarHBondContact O-N 3.48Å
590	L	89	Confident	92.4	Very high	101 Å²	101	44.6 Å²	44.6	53%	0.529	23%	0.234	S	C	.	.	H	α-helix	trans	-113.9	-23.6	-173.9	-57.3	-176.6	0	0	0	113.6	Y511 A586 N587 N592	Y511-L590 HydrophobicContact CG-CD1 4.46Å; A586-L590 HydrophobicContact CB-CD1 4.11Å; A586-L590 WeakPolarHBondContact O-CB 3.37Å; A586-L590 WeakPolarHBondContact O-CG 2.97Å; A586-L590 PolarHBondContact O-N 2.86Å; A586-L590 VanDerWaalsContact O-N 3.12Å; N587-L590 PolarHBondContact O-N 3Å; L590-N592 PolarHBondContact O-N 3.45Å
591	D	91.7	Very high	92.4	Very high	48 Å²	48	39.8 Å²	39.8	26%	0.257	22%	0.223	S	C	.	.			trans	-87.9	100.5	172.1	176	2.6	0	0	0	108.4	L501 N587 E593 K712	L501-D591 VanDerWaalsContact CD1-O 3.24Å; L501-D591 WeakPolarHBondContact CD1-O 3.33Å; N587-D591 HydrophobicContact CB-CB 3.94Å; N587-D591 WeakPolarHBondContact O-CB 3.49Å; N587-D591 PolarHBondContact O-N 3.17Å; D591-E593 PolarHBondContact OD1-N 3.19Å; D591-K712 IonicContact OD1-NZ 2.85Å; D591-K712 PolarHBondContact OD1-NZ 3.17Å; D591-K712 WeakPolarHBondContact OD2-CE 3.17Å; D591-K712 IonicContact OD2-NZ 2.84Å; D591-K712 PolarHBondContact OD2-NZ 3.38Å
592	N	92.5	Very high	91.8	Very high	55 Å²	55	42.5 Å²	42.5	29%	0.294	23%	0.234	S	C	.	.			trans	-102	12	-179.3	78.5	-3.3	0	0	0	113.7	K498 A499 L590	K498-N592 WeakPolarHBondContact CA-O 3.42Å; K498-N592 WeakPolarHBondContact CB-O 3.48Å; K498-N592 PolarHBondContact NZ-OD1 3.35Å; A499-N592 PolarHBondContact N-O 2.79Å; L590-N592 PolarHBondContact O-N 3.45Å
593	E	94.1	Very high	90.9	Very high	108 Å²	108	47.6 Å²	47.6	51%	0.505	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	159.5	-171.7	-56.7	-159.7	155.1	0	0	113.1	G497 K498 D591 F595 K712	G497-E593 CarbonylContact O-C 3.54Å; G497-E593 WeakPolarHBondContact O-CA 3.31Å; K498-E593 WeakPolarHBondContact CE-OE1 3.33Å; K498-E593 IonicContact NZ-OE1 3.6Å; K498-E593 PolarHBondContact NZ-OE1 3.27Å; D591-E593 PolarHBondContact OD1-N 3.19Å; E593-F595 VanDerWaalsContact C-N 3.35Å; E593-K712 VanDerWaalsContact O-CD 3.31Å; E593-K712 WeakPolarHBondContact O-CD 3.21Å; E593-K712 WeakPolarHBondContact O-CE 3.45Å; E593-K712 PolarHBondContact O-NZ 3.07Å
594	G	94	Very high	89.5	Confident	41 Å²	41	55.3 Å²	55.3	42%	0.423	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.8	13.3	-177.9	0	0	0	0	0	114.5	G497 Q686 K712	G497-G594 PolarHBondContact O-N 3.03Å; G594-Q686 PolarHBondContact O-NE2 2.91Å; G594-K712 WeakPolarHBondContact O-CB 3.14Å
595	F	96.6	Very high	87.7	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.3	-177.8	-80.3	-98.8	0	0	0	112.8	P485 G497 A499 L501 E593 T709 K712 I714	P485-F595 HydrophobicContact CB-CD1 4.14Å; P485-F595 HydrophobicContact CB-CE1 3.63Å; P485-F595 HydrophobicContact CG-CE1 4.27Å; G497-F595 CarbonylContact C-O 3.55Å; G497-F595 VanDerWaalsContact CA-O 3.23Å; G497-F595 WeakPolarHBondContact CA-O 3.05Å; G497-F595 PolarHBondContact N-O 2.63Å; G497-F595 PolarHBondContact O-N 2.95Å; A499-F595 HydrophobicContact CB-CB 3.98Å; A499-F595 HydrophobicContact CB-CD1 3.51Å; A499-F595 HydrophobicContact CB-CD2 3.78Å; A499-F595 HydrophobicContact CB-CE1 3.85Å; A499-F595 HydrophobicContact CB-CE2 4.11Å; A499-F595 HydrophobicContact CB-CG 3.47Å; A499-F595 VanDerWaalsContact CB-CG 3.47Å; A499-F595 HydrophobicContact CB-CZ 4.14Å; L501-F595 HydrophobicContact CD1-CE2 4.43Å; L501-F595 HydrophobicContact CD1-CZ 4.24Å; L501-F595 HydrophobicContact CD2-CE1 4.3Å; L501-F595 HydrophobicContact CD2-CZ 3.97Å; E593-F595 VanDerWaalsContact C-N 3.35Å; F595-T709 HydrophobicContact CZ-CG2 4.44Å; F595-K712 VanDerWaalsContact CA-O 3.29Å; F595-K712 WeakPolarHBondContact CA-O 3.46Å; F595-K712 VanDerWaalsContact CD1-C 3.43Å; F595-K712 HydrophobicContact CD1-CB 4.06Å; F595-K712 HydrophobicContact CD2-CB 4.19Å; F595-K712 HydrophobicContact CD2-CG 4.32Å; F595-K712 HydrophobicContact CE1-CB 4.18Å; F595-K712 HydrophobicContact CE1-CG 4.47Å; F595-K712 HydrophobicContact CE2-CB 4.29Å; F595-K712 HydrophobicContact CE2-CG 4.02Å; F595-K712 HydrophobicContact CG-CB 4.07Å; F595-K712 HydrophobicContact CZ-CB 4.29Å; F595-K712 HydrophobicContact CZ-CG 4.1Å; F595-I714 HydrophobicContact CB-CD1 4.18Å; F595-I714 HydrophobicContact CB-CG1 4.38Å; F595-I714 HydrophobicContact CD1-CG1 4.11Å
596	V	96	Very high	85.6	Confident	35 Å²	35	65.8 Å²	65.8	21%	0.212	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	159.9	172.6	-60.3	0	0	0	0	111.2	Q686 L690 K712 L713 I714	V596-Q686 HydrophobicContact CG2-CB 4.1Å; V596-Q686 HydrophobicContact CG2-CG 3.79Å; V596-L690 HydrophobicContact CB-CD1 4.08Å; V596-L690 HydrophobicContact CG1-CD1 4.38Å; V596-L690 HydrophobicContact CG2-CD1 4.21Å; V596-L690 HydrophobicContact CG2-CD2 4.41Å; V596-L690 HydrophobicContact CG2-CG 4.4Å; V596-K712 PolarHBondContact N-O 2.92Å; V596-L713 HydrophobicContact CG2-CD1 3.84Å; V596-I714 PolarHBondContact O-N 3.38Å
597	I	95.2	Very high	83.4	Confident	61 Å²	61	72.9 Å²	72.9	31%	0.313	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.3	-179.7	-177.2	164.7	0	0	0	111.4	E487 L599 L690 I714	E487-I597 VanDerWaalsContact CD-CD1 3.42Å; E487-I597 HydrophobicContact CG-CD1 3.58Å; I597-L599 PolarHBondContact O-N 3.32Å; I597-L690 VanDerWaalsContact O-CD2 3.31Å; I597-L690 WeakPolarHBondContact O-CD2 3.34Å; I597-I714 WeakPolarHBondContact CA-O 3.42Å; I597-I714 HydrophobicContact CB-CB 4.12Å; I597-I714 HydrophobicContact CD1-CB 4.46Å; I597-I714 HydrophobicContact CD1-CG2 3.96Å; I597-I714 HydrophobicContact CG1-CB 4.18Å; I597-I714 HydrophobicContact CG1-CG2 4.13Å
598	T	93.7	Very high	81.1	Confident	8 Å²	8	80.6 Å²	80.6	5%	0.049	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-61.4	123.6	176.1	53.8	0	0	0	0	111.2	F693 L713 I714 H715	T598-F693 HydrophobicContact CG2-CB 4.08Å; T598-L713 HydrophobicContact CG2-CD1 4.01Å; T598-I714 PolarHBondContact N-O 3.28Å; T598-H715 HydrophobicContact CG2-CB 4.09Å; T598-H715 WeakPolarHBondContact CG2-ND1 3.47Å; T598-H715 PolarHBondContact OG1-ND1 3.03Å
599	L	91.8	Very high	78.7	Confident	49 Å²	49	84.8 Å²	84.8	26%	0.257	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-77.4	153.1	-177.4	-59.4	179.1	0	0	0	111.8	R265 I597 D694 S695	R265-L599 HydrophobicContact CB-CD1 4.15Å; I597-L599 PolarHBondContact O-N 3.32Å; L599-D694 CarbonylContact O-C 3.56Å; L599-D694 VanDerWaalsContact O-CA 3.27Å; L599-D694 WeakPolarHBondContact O-CA 3.42Å; L599-D694 WeakPolarHBondContact O-CB 3.23Å; L599-S695 PolarHBondContact O-N 3.25Å
600	P	90.4	Very high	76.4	Confident	90 Å²	90	89.6 Å²	89.6	58%	0.584	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-50.9	148.2	171.3	-28.6	36.3	0	0	0	113.3	S695	P600-S695 WeakPolarHBondContact CA-OG 3.49Å
601	P	85.3	Confident	74.1	Confident	50 Å²	50	93 Å²	93	33%	0.325	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-55.9	144	176.3	24.9	-35.4	0	0	0	110.5	D694 D696	P601-D694 HydrophobicContact CB-CB 4.17Å; P601-D696 HydrophobicContact CG-CB 4.28Å
602	L	77.5	Confident	71.4	Confident	68 Å²	68	94.3 Å²	94.3	36%	0.356	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-64.6	142.3	169.8	-70.1	175.2	0	0	0	109.2	R265 K604	R265-L602 HydrophobicContact CB-CD2 4.14Å; R265-L602 HydrophobicContact CG-CD1 4.37Å; R265-L602 HydrophobicContact CG-CD2 4.3Å; R265-L602 HydrophobicContact CG-CG 4.49Å; L602-K604 PolarHBondContact O-N 2.68Å
603	P	74.6	Confident	68.8	Low	123 Å²	123	99.3 Å²	99.3	80%	0.799	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-55	118.3	164.4	-20.4	32	0	0	0	108.2	S605	P603-S605 PolarHBondContact O-N 3.18Å; P603-S605 VanDerWaalsContact O-N 3.13Å
604	K	65.3	Low	66.2	Low	161 Å²	161	100 Å²	100	70%	0.7	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-59.6	118.7	176.8	-65.4	-172.8	175.6	-170	0	108	L602	L602-K604 PolarHBondContact O-N 2.68Å
605	S	55.3	Low	63.7	Low	80 Å²	80	103.3 Å²	103.3	56%	0.559	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-58.5	144	171.7	48.4	0	0	0	0	108.7	P603 E607	P603-S605 PolarHBondContact O-N 3.18Å; P603-S605 VanDerWaalsContact O-N 3.13Å; S605-E607 WeakPolarHBondContact CB-OE2 3.3Å; S605-E607 PolarHBondContact O-N 3.19Å; S605-E607 PolarHBondContact OG-OE2 2.86Å
606	Q	47.9	Very low	61.3	Low	175 Å²	175	107 Å²	107	82%	0.818	56%	0.564	S	S	*	*			trans	-82.1	45.7	-179.5	-64	-171.8	-46.6	0	0	111	Y608	Q606-Y608 VanDerWaalsContact O-CD2 3.31Å; Q606-Y608 WeakPolarHBondContact O-CD2 3.31Å
607	E	45.5	Very low	59.4	Low	153 Å²	153	107.9 Å²	107.9	72%	0.715	57%	0.572	S	S	*	*			trans	-95.4	117.1	177	-74.4	164.4	147.6	0	0	107.9	S605 D609	S605-E607 WeakPolarHBondContact CB-OE2 3.3Å; S605-E607 PolarHBondContact O-N 3.19Å; S605-E607 PolarHBondContact OG-OE2 2.86Å; E607-D609 PolarHBondContact O-N 3.37Å
608	Y	44	Very low	57.7	Low	183 Å²	183	106.2 Å²	106.2	72%	0.718	57%	0.565	S	S	*	*			trans	-89.5	79.4	-167.3	-82.1	-106.9	0	0	0	110.6	Q606 E610	Q606-Y608 VanDerWaalsContact O-CD2 3.31Å; Q606-Y608 WeakPolarHBondContact O-CD2 3.31Å; Y608-E610 HydrophobicContact CD1-CG 4.13Å; Y608-E610 PolarHBondContact O-N 3.01Å
609	D	41.9	Very low	57.3	Low	131 Å²	131	107 Å²	107	70%	0.701	57%	0.569	S	S	*	*			trans	-72.5	69.1	162.3	-81	-7.4	0	0	0	109.7	E607 D611 N612	E607-D609 PolarHBondContact O-N 3.37Å; D609-D611 PolarHBondContact O-N 2.82Å; D609-D611 VanDerWaalsContact O-N 3.14Å; D609-N612 HydrophobicContact CB-CB 4.2Å; D609-N612 PolarHBondContact O-N 3.18Å; D609-N612 VanDerWaalsContact O-N 3.07Å
610	E	42.2	Very low	57.4	Low	156 Å²	156	104.7 Å²	104.7	73%	0.729	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	-177.8	-70.6	-172.7	155.5	0	0	113.2	Y608	Y608-E610 HydrophobicContact CD1-CG 4.13Å; Y608-E610 PolarHBondContact O-N 3.01Å
611	D	41.1	Very low	57.7	Low	173 Å²	173	101.7 Å²	101.7	93%	0.925	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.4	176.6	-70.8	-48	0	0	0	114.3	D609	D609-D611 PolarHBondContact O-N 2.82Å; D609-D611 VanDerWaalsContact O-N 3.14Å
612	N	35.3	Very low	58.2	Low	75 Å²	75	99.3 Å²	99.3	40%	0.401	52%	0.519	S	S	.	.			trans	-115.1	45.5	-174.3	-149.8	-11.7	0	0	0	114.3	D609 N614 N615	D609-N612 HydrophobicContact CB-CB 4.2Å; D609-N612 PolarHBondContact O-N 3.18Å; D609-N612 VanDerWaalsContact O-N 3.07Å; N612-N614 PolarHBondContact O-N 2.75Å; N612-N615 PolarHBondContact O-N 3.08Å
613	D	36.5	Very low	59.2	Low	160 Å²	160	96 Å²	96	86%	0.856	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	12.3	178.2	-160.9	32.5	0	0	0	114.9
614	N	39.4	Very low	60.3	Low	122 Å²	122	91 Å²	91	65%	0.652	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-10.7	167.3	-99.4	-87.7	0	0	0	113.7	N612 K645	N612-N614 PolarHBondContact O-N 2.75Å; N614-K645 PolarHBondContact OD1-NZ 2.71Å
615	N	42.2	Very low	61.9	Low	111 Å²	111	83.5 Å²	83.5	59%	0.594	44%	0.436	S	S	*	.			trans	-114.1	21.9	-165.9	-152.1	27.4	0	0	0	115	N612 S617	N612-N615 PolarHBondContact O-N 3.08Å; N615-S617 PolarHBondContact O-N 2.94Å
616	S	45.8	Very low	63.8	Low	84 Å²	84	80.4 Å²	80.4	59%	0.587	41%	0.413	S	S	*	.	S	Bend	trans	-65.8	87.6	146	-89.3	0	0	0	0	107.6	C618	S616-C618 PolarHBondContact O-N 3.22Å; S616-C618 VanDerWaalsContact O-N 3.14Å
617	S	55.8	Low	66.1	Low	53 Å²	53	73.5 Å²	73.5	37%	0.371	38%	0.381	S	S	.	.			trans	-43	119.1	-173.5	54	0	0	0	0	110.7	N615 N619	N615-S617 PolarHBondContact O-N 2.94Å; S617-N619 WeakPolarHBondContact CB-OD1 3.47Å; S617-N619 PolarHBondContact O-N 2.83Å; S617-N619 PolarHBondContact O-OD1 2.94Å; S617-N619 VanDerWaalsContact O-OD1 3.11Å; S617-N619 PolarHBondContact OG-OD1 3.19Å
618	C	60.2	Low	68.6	Low	26 Å²	26	66.2 Å²	66.2	18%	0.176	35%	0.347	C	S	.	.			trans	-72.4	92.1	170.5	-166.6	0	0	0	0	105.9	S616 V620 S644	S616-C618 PolarHBondContact O-N 3.22Å; S616-C618 VanDerWaalsContact O-N 3.14Å; C618-V620 PolarHBondContact O-N 3.45Å; C618-S644 PolarHBondContact SG-OG 3.16Å
619	N	85.2	Confident	71.1	Confident	24 Å²	24	59.3 Å²	59.3	13%	0.128	32%	0.319	C	S	.	.			trans	-68.3	51.9	178.6	-80.3	33.2	0	0	0	110.4	Y466 S617 D694 T697 I698	Y466-N619 HydrophobicContact CD2-CB 4.26Å; Y466-N619 HydrophobicContact CE2-CB 4.17Å; S617-N619 WeakPolarHBondContact CB-OD1 3.47Å; S617-N619 PolarHBondContact O-N 2.83Å; S617-N619 PolarHBondContact O-OD1 2.94Å; S617-N619 VanDerWaalsContact O-OD1 3.11Å; S617-N619 PolarHBondContact OG-OD1 3.19Å; N619-D694 PolarHBondContact ND2-OD1 3.08Å; N619-D694 VanDerWaalsContact ND2-OD1 3.15Å; N619-D694 PolarHBondContact ND2-OD2 3.38Å; N619-T697 CarbonylContact O-C 3.32Å; N619-T697 WeakPolarHBondContact O-CA 3.47Å; N619-I698 PolarHBondContact O-N 2.37Å
620	V	93.9	Very high	73.6	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	110.1	-177.2	-173.7	0	0	0	0	107.6	L465 Y466 L469 C618 I698 I700 M766	L465-V620 HydrophobicContact CD2-CB 4.36Å; L465-V620 HydrophobicContact CD2-CG1 3.83Å; L465-V620 HydrophobicContact CG-CG1 4.42Å; Y466-V620 HydrophobicContact CD2-CG2 3.77Å; Y466-V620 HydrophobicContact CG-CG2 4.31Å; L469-V620 HydrophobicContact CD1-CG1 3.46Å; L469-V620 VanDerWaalsContact CD1-CG1 3.46Å; L469-V620 HydrophobicContact CD1-CG2 4.26Å; C618-V620 PolarHBondContact O-N 3.45Å; V620-I698 WeakPolarHBondContact CA-O 3.43Å; V620-I698 HydrophobicContact CG2-CB 4.35Å; V620-I698 HydrophobicContact CG2-CD1 4.46Å; V620-I700 HydrophobicContact CG1-CD1 3.58Å; V620-I700 HydrophobicContact CG1-CG1 4.46Å; V620-M766 HydrophobicContact CG1-CE 4.33Å
621	Y	96.1	Very high	76.1	Confident	27 Å²	27	46 Å²	46	11%	0.106	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.2	179	-58.6	-83.7	0	0	0	109.9	I641 I642 N643 I649 L692 F693 T697 I698 I700	Y621-I641 HydrophobicContact CD1-CG2 4.02Å; Y621-I641 HydrophobicContact CG-CG2 4.19Å; Y621-I642 CarbonylContact C-O 3.54Å; Y621-I642 WeakPolarHBondContact CA-O 3.33Å; Y621-I642 WeakPolarHBondContact CB-O 3.3Å; Y621-N643 HydrophobicContact CD1-CB 4.21Å; Y621-N643 HydrophobicContact CE1-CB 4.21Å; Y621-I649 HydrophobicContact CD1-CG1 4.35Å; Y621-I649 HydrophobicContact CE1-CG1 4.17Å; Y621-L692 HydrophobicContact CE1-CD1 4.19Å; Y621-L692 HydrophobicContact CE2-CD1 4.45Å; Y621-L692 HydrophobicContact CE2-CG 4.36Å; Y621-L692 WeakPolarHBondContact OH-CD1 3.5Å; Y621-F693 AromaticContact CD2-CD1 3.77Å; Y621-F693 HydrophobicContact CD2-CD1 3.77Å; Y621-F693 AromaticContact CD2-CE1 3.46Å; Y621-F693 HydrophobicContact CD2-CE1 3.46Å; Y621-F693 VanDerWaalsContact CD2-CE1 3.46Å; Y621-F693 AromaticContact CE2-CD1 3.97Å; Y621-F693 HydrophobicContact CE2-CD1 3.97Å; Y621-F693 AromaticContact CE2-CE1 4Å; Y621-F693 HydrophobicContact CE2-CE1 4Å; Y621-F693 AromaticContact CG-CE1 3.84Å; Y621-F693 HydrophobicContact CG-CE1 3.84Å; Y621-T697 HydrophobicContact CD2-CG2 3.64Å; Y621-T697 HydrophobicContact CE2-CG2 3.95Å; Y621-I698 PolarHBondContact N-O 3.29Å; Y621-I700 PolarHBondContact O-N 2.82Å
622	A	97.6	Very high	78.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.6	161.5	0	0	0	0	0	109.5	I641 I642 I700 A762 M766	A622-I641 WeakPolarHBondContact O-CA 3.49Å; A622-I642 HydrophobicContact CB-CD1 4.16Å; A622-I642 HydrophobicContact CB-CG1 3.79Å; A622-I642 PolarHBondContact N-O 3.11Å; A622-I642 PolarHBondContact O-N 3.04Å; A622-I700 CarbonylContact C-O 3.55Å; A622-I700 VanDerWaalsContact CA-O 3.22Å; A622-I700 WeakPolarHBondContact CA-O 3.47Å; A622-I700 HydrophobicContact CB-CB 3.97Å; A622-I700 HydrophobicContact CB-CG2 4.07Å; A622-A762 WeakPolarHBondContact CB-O 3.36Å; A622-M766 HydrophobicContact CB-CB 3.98Å; A622-M766 HydrophobicContact CB-CE 3.96Å
623	L	97.5	Very high	81.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.1	-175.7	-177.2	153.6	0	0	0	108.8	I639 T640 I641 F693 I700 L704 D707 L711	L623-I639 HydrophobicContact CD1-CD1 3.94Å; L623-I639 HydrophobicContact CG-CD1 4.31Å; L623-T640 WeakPolarHBondContact CA-O 3.42Å; L623-I641 HydrophobicContact CB-CG1 4.32Å; L623-I641 HydrophobicContact CD1-CD1 4.06Å; L623-I641 HydrophobicContact CD1-CG1 3.92Å; L623-I641 HydrophobicContact CG-CG1 4.04Å; L623-F693 HydrophobicContact CD1-CE2 4.09Å; L623-F693 HydrophobicContact CD1-CZ 4.23Å; L623-I700 PolarHBondContact N-O 3.31Å; L623-L704 HydrophobicContact CB-CD1 4.45Å; L623-L704 HydrophobicContact CD2-CD1 3.82Å; L623-L704 WeakPolarHBondContact O-CD1 3.29Å; L623-D707 HydrophobicContact CD2-CB 4.03Å; L623-L711 HydrophobicContact CD1-CD1 3.91Å; L623-L711 HydrophobicContact CD2-CD1 3.83Å
624	D	98.1	Very high	84.2	Confident	16 Å²	16	27.7 Å²	27.7	9%	0.086	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	141	175	-165	98.7	0	0	0	109.1	T640 S758 A762	D624-T640 PolarHBondContact N-O 3.45Å; D624-T640 VanDerWaalsContact N-O 3.1Å; D624-T640 PolarHBondContact O-N 2.7Å; D624-S758 VanDerWaalsContact OD2-CA 3.29Å; D624-S758 WeakPolarHBondContact OD2-CA 3.33Å; D624-S758 VanDerWaalsContact OD2-CB 3.32Å; D624-S758 WeakPolarHBondContact OD2-CB 3.33Å; D624-A762 HydrophobicContact CB-CB 3.89Å
625	C	97.6	Very high	86.9	Confident	4 Å²	4	23 Å²	23	3%	0.027	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.6	-174.6	-75.1	0	0	0	0	113	M627 L636 R638 D707	C625-M627 HydrophobicContact CB-SD 3.78Å; C625-M627 WeakPolarHBondContact O-CE 3.49Å; C625-M627 VanDerWaalsContact O-SD 3.4Å; C625-L636 HydrophobicContact CB-CD1 3.61Å; C625-R638 WeakPolarHBondContact CA-O 3.19Å; C625-D707 HydrophobicContact CB-CB 4.2Å; C625-D707 WeakPolarHBondContact CB-OD1 3.31Å; C625-D707 PolarHBondContact N-OD1 3.4Å
626	E	96.9	Very high	89.6	Confident	16 Å²	16	18 Å²	18	8%	0.075	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.4	170.9	-55.7	-69.3	-171.4	0	0	110.4	A637 R638 S668 L670 S758	E626-A637 PolarHBondContact O-N 3.36Å; E626-R638 HydrophobicContact CB-CB 4.07Å; E626-R638 HydrophobicContact CG-CB 4.36Å; E626-R638 PolarHBondContact N-O 3.26Å; E626-R638 PolarHBondContact O-N 2.8Å; E626-R638 VanDerWaalsContact O-N 3.16Å; E626-S668 VanDerWaalsContact CD-O 3.28Å; E626-S668 WeakPolarHBondContact CG-O 3.27Å; E626-S668 VanDerWaalsContact OE2-CA 3.29Å; E626-S668 WeakPolarHBondContact OE2-CA 3.16Å; E626-L670 HydrophobicContact CB-CD1 3.86Å; E626-L670 HydrophobicContact CB-CD2 4.31Å; E626-L670 HydrophobicContact CB-CG 4.12Å; E626-S758 PolarHBondContact OE1-N 3.47Å
627	M	96.1	Very high	92	Very high	30 Å²	30	14 Å²	14	15%	0.148	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.9	-177.5	-77	73.5	53.9	0	0	112.8	C625 E635 A710	C625-M627 HydrophobicContact CB-SD 3.78Å; C625-M627 WeakPolarHBondContact O-CE 3.49Å; C625-M627 VanDerWaalsContact O-SD 3.4Å; M627-E635 CarbonylContact C-O 3.58Å; M627-E635 WeakPolarHBondContact CA-O 3.35Å; M627-E635 WeakPolarHBondContact CB-O 3.41Å; M627-E635 WeakPolarHBondContact CG-O 3.36Å; M627-A710 HydrophobicContact CG-CB 3.89Å; M627-A710 HydrophobicContact SD-CB 3.9Å
628	V	96.5	Very high	94	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	174.2	175.3	-60.8	0	0	0	0	111.7	T630 C634 E635 A637 P656 C663 L670 I675	V628-T630 HydrophobicContact CG2-CG2 4.01Å; V628-C634 CarbonylContact O-C 3.56Å; V628-C634 VanDerWaalsContact O-CA 3.29Å; V628-C634 WeakPolarHBondContact O-CA 3.22Å; V628-E635 PolarHBondContact N-O 3.49Å; V628-E635 PolarHBondContact O-N 3.05Å; V628-A637 HydrophobicContact CB-CB 4.38Å; V628-A637 HydrophobicContact CG1-CB 3.59Å; V628-A637 HydrophobicContact CG2-CB 3.97Å; V628-P656 HydrophobicContact CG2-CG 3.85Å; V628-C663 HydrophobicContact CG1-CB 4.5Å; V628-C663 WeakPolarHBondContact CG1-O 3.19Å; V628-L670 HydrophobicContact CG1-CD1 4.01Å; V628-I675 HydrophobicContact CG1-CD1 3.72Å
629	Y	96.6	Very high	95.8	Very high	37 Å²	37	11.5 Å²	11.5	15%	0.145	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.8	171	-68.8	-71.7	0	0	0	111.6	V583 H584 G633 C634 I661 D662 N664	V583-Y629 HydrophobicContact CB-CD1 3.85Å; V583-Y629 HydrophobicContact CB-CD2 4.21Å; V583-Y629 HydrophobicContact CB-CG 3.67Å; V583-Y629 VanDerWaalsContact CG1-CB 3.46Å; V583-Y629 HydrophobicContact CG1-CD2 4.33Å; V583-Y629 HydrophobicContact CG1-CG 3.89Å; V583-Y629 HydrophobicContact CG2-CD1 4.28Å; V583-Y629 HydrophobicContact CG2-CD2 4.13Å; V583-Y629 HydrophobicContact CG2-CE2 4.39Å; V583-Y629 HydrophobicContact CG2-CG 4.07Å; H584-Y629 WeakPolarHBondContact O-CD1 3.21Å; Y629-G633 CarbonylContact C-O 3.54Å; Y629-G633 VanDerWaalsContact CA-O 3.28Å; Y629-G633 WeakPolarHBondContact CA-O 3.31Å; Y629-C634 HydrophobicContact CD1-CB 4.02Å; Y629-C634 HydrophobicContact CE1-CB 3.87Å; Y629-I661 PolarHBondContact O-N 3.08Å; Y629-D662 PolarHBondContact N-O 3.08Å; Y629-D662 PolarHBondContact O-N 3.39Å; Y629-N664 HydrophobicContact CD2-CB 4.19Å; Y629-N664 HydrophobicContact CE2-CB 4.37Å
630	T	95.9	Very high	96.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	-178.5	-177.4	67	0	0	0	0	110.5	V628 G632 G633 E635 P656 H658 P659 I660 I661	V628-T630 HydrophobicContact CG2-CG2 4.01Å; T630-G632 VanDerWaalsContact C-N 3.27Å; T630-G632 PolarHBondContact O-N 3.31Å; T630-G632 PolarHBondContact OG1-N 3.11Å; T630-G633 PolarHBondContact N-O 3.38Å; T630-G633 PolarHBondContact O-N 3.44Å; T630-G633 PolarHBondContact OG1-N 3.15Å; T630-E635 VanDerWaalsContact CB-OE2 3.27Å; T630-E635 WeakPolarHBondContact CB-OE2 3.45Å; T630-E635 HydrophobicContact CG2-CB 4.35Å; T630-E635 WeakPolarHBondContact CG2-OE2 3.27Å; T630-E635 VanDerWaalsContact OG1-CD 3.28Å; T630-E635 PolarHBondContact OG1-OE2 3.25Å; T630-P656 HydrophobicContact CG2-CB 3.91Å; T630-P656 HydrophobicContact CG2-CG 4.41Å; T630-H658 WeakPolarHBondContact CG2-O 3.39Å; T630-P659 CarbonylContact C-O 3.58Å; T630-P659 WeakPolarHBondContact CA-O 3.48Å; T630-P659 WeakPolarHBondContact CB-O 3.34Å; T630-I660 HydrophobicContact CG2-CG1 4.18Å; T630-I661 WeakPolarHBondContact O-CD1 3.44Å
631	T	94.4	Very high	96.6	Very high	8 Å²	8	10.3 Å²	10.3	5%	0.049	5%	0.052	C	C	.	.	S	Bend	trans	-66.4	-28.6	171.6	64.9	0	0	0	0	113	Y533 P659 I661	Y533-T631 PolarHBondContact O-OG1 3.14Å; Y533-T631 VanDerWaalsContact O-OG1 3.04Å; T631-P659 HydrophobicContact CG2-CB 4.32Å; T631-P659 PolarHBondContact N-O 3.02Å; T631-P659 VanDerWaalsContact N-O 3.08Å; T631-I661 HydrophobicContact CG2-CD1 4.24Å; T631-I661 HydrophobicContact CG2-CG1 4.42Å
632	G	92.5	Very high	96.6	Very high	15 Å²	15	9 Å²	9	16%	0.155	5%	0.047	C	C	.	.	S	Bend	trans	-72.8	-30.4	174.4	0	0	0	0	0	113.4	H584 T630	H584-G632 PolarHBondContact NE2-O 3.49Å; T630-G632 VanDerWaalsContact C-N 3.27Å; T630-G632 PolarHBondContact O-N 3.31Å; T630-G632 PolarHBondContact OG1-N 3.11Å
633	G	94.8	Very high	96.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	146	-116.6	173.2	0	0	0	0	0	112.9	H584 Y629 T630	H584-G633 WeakPolarHBondContact NE2-CA 3.29Å; H584-G633 CarbonylContact O-C 3.6Å; H584-G633 VanDerWaalsContact O-C 3.32Å; H584-G633 WeakPolarHBondContact O-CA 3.48Å; Y629-G633 CarbonylContact C-O 3.54Å; Y629-G633 VanDerWaalsContact CA-O 3.28Å; Y629-G633 WeakPolarHBondContact CA-O 3.31Å; T630-G633 PolarHBondContact N-O 3.38Å; T630-G633 PolarHBondContact O-N 3.44Å; T630-G633 PolarHBondContact OG1-N 3.15Å
634	C	95.7	Very high	96.1	Very high	8 Å²	8	10.2 Å²	10.2	5%	0.054	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.4	175.9	-177.2	0	0	0	0	109.4	N587 K588 V628 Y629	N587-C634 PolarHBondContact ND2-N 2.91Å; N587-C634 PolarHBondContact ND2-O 3.05Å; N587-C634 PolarHBondContact OD1-N 3.25Å; K588-C634 WeakPolarHBondContact CE-SG 3.47Å; V628-C634 CarbonylContact O-C 3.56Å; V628-C634 VanDerWaalsContact O-CA 3.29Å; V628-C634 WeakPolarHBondContact O-CA 3.22Å; Y629-C634 HydrophobicContact CD1-CB 4.02Å; Y629-C634 HydrophobicContact CE1-CB 3.87Å
635	E	96.7	Very high	95.7	Very high	23 Å²	23	14.2 Å²	14.2	11%	0.107	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	159	-167.9	-66.8	-177.1	134.4	0	0	111.9	M627 V628 T630 P656 H658	M627-E635 CarbonylContact C-O 3.58Å; M627-E635 WeakPolarHBondContact CA-O 3.35Å; M627-E635 WeakPolarHBondContact CB-O 3.41Å; M627-E635 WeakPolarHBondContact CG-O 3.36Å; V628-E635 PolarHBondContact N-O 3.49Å; V628-E635 PolarHBondContact O-N 3.05Å; T630-E635 VanDerWaalsContact CB-OE2 3.27Å; T630-E635 WeakPolarHBondContact CB-OE2 3.45Å; T630-E635 HydrophobicContact CG2-CB 4.35Å; T630-E635 WeakPolarHBondContact CG2-OE2 3.27Å; T630-E635 VanDerWaalsContact OG1-CD 3.28Å; T630-E635 PolarHBondContact OG1-OE2 3.25Å; E635-P656 HydrophobicContact CB-CB 4.32Å; E635-H658 IonicContact OE1-CE1 3.39Å; E635-H658 IonicContact OE1-CG 3.33Å; E635-H658 IonicContact OE1-ND1 2.72Å; E635-H658 PolarHBondContact OE1-ND1 2.85Å; E635-H658 WeakPolarHBondContact OE2-CB 3.37Å; E635-H658 IonicContact OE2-CG 3.63Å; E635-H658 IonicContact OE2-ND1 2.9Å
636	L	97.3	Very high	95.5	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.037	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.8	178.5	-178.2	68.1	0	0	0	111.4	C625 R638 V654 I682 A710 L711	C625-L636 HydrophobicContact CB-CD1 3.61Å; L636-R638 WeakPolarHBondContact CD1-O 3.19Å; L636-V654 HydrophobicContact CD2-CB 4.41Å; L636-V654 HydrophobicContact CD2-CG1 4.29Å; L636-V654 HydrophobicContact CD2-CG2 3.94Å; L636-V654 HydrophobicContact CG-CB 4.3Å; L636-V654 HydrophobicContact CG-CG2 4.05Å; L636-I682 HydrophobicContact CD2-CD1 3.79Å; L636-A710 HydrophobicContact CB-CB 4.39Å; L636-L711 HydrophobicContact CD1-CD2 4.48Å; L636-L711 HydrophobicContact CD2-CD2 3.44Å; L636-L711 VanDerWaalsContact CD2-CD2 3.44Å; L636-L711 HydrophobicContact CD2-CG 4.28Å
637	A	97.3	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	-15.2	173.5	0	0	0	0	0	114.9	E626 V628 F653 V654 L670 I675	E626-A637 PolarHBondContact O-N 3.36Å; V628-A637 HydrophobicContact CB-CB 4.38Å; V628-A637 HydrophobicContact CG1-CB 3.59Å; V628-A637 HydrophobicContact CG2-CB 3.97Å; A637-F653 CarbonylContact O-C 3.52Å; A637-F653 WeakPolarHBondContact O-CA 3.49Å; A637-V654 WeakPolarHBondContact CA-O 3.24Å; A637-V654 PolarHBondContact O-N 2.94Å; A637-L670 HydrophobicContact CB-CD1 3.46Å; A637-L670 VanDerWaalsContact CB-CD1 3.46Å; A637-I675 HydrophobicContact CB-CD1 4.02Å; A637-I675 HydrophobicContact CB-CG1 4.26Å
638	R	97.3	Very high	95.3	Very high	26 Å²	26	22 Å²	22	10%	0.098	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	144.8	165.1	-173.6	-177.1	170.2	-153.9	1.9	110.5	C625 E626 L636 D651 E652 F653 L670 N757 S758	C625-R638 WeakPolarHBondContact CA-O 3.19Å; E626-R638 HydrophobicContact CB-CB 4.07Å; E626-R638 HydrophobicContact CG-CB 4.36Å; E626-R638 PolarHBondContact N-O 3.26Å; E626-R638 PolarHBondContact O-N 2.8Å; E626-R638 VanDerWaalsContact O-N 3.16Å; L636-R638 WeakPolarHBondContact CD1-O 3.19Å; R638-D651 IonicContact CZ-OD1 3.08Å; R638-D651 VanDerWaalsContact CZ-OD1 3.32Å; R638-D651 IonicContact CZ-OD2 2.85Å; R638-D651 IonicContact NE-OD1 3.38Å; R638-D651 PolarHBondContact NE-OD1 3.33Å; R638-D651 IonicContact NE-OD2 2.7Å; R638-D651 VanDerWaalsContact NH2-CG 3.3Å; R638-D651 IonicContact NH2-OD1 2.71Å; R638-D651 PolarHBondContact NH2-OD1 3.41Å; R638-D651 IonicContact NH2-OD2 3.47Å; R638-D651 PolarHBondContact NH2-OD2 3.35Å; R638-E652 VanDerWaalsContact CA-O 3.29Å; R638-E652 WeakPolarHBondContact CA-O 3.36Å; R638-E652 WeakPolarHBondContact CG-O 3.46Å; R638-F653 HydrophobicContact CB-CD1 4.5Å; R638-L670 HydrophobicContact CB-CD1 4.46Å; R638-L670 HydrophobicContact CB-CD2 3.87Å; R638-N757 PolarHBondContact NH1-OD1 3.15Å; R638-N757 PolarHBondContact NH2-OD1 2.84Å; R638-S758 PolarHBondContact NH1-OG 3.38Å
639	I	97.8	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.4	170.9	172.6	163.8	0	0	0	109.8	L623 I641 L650 D651 E652 V654 I685 L689 L711	L623-I639 HydrophobicContact CD1-CD1 3.94Å; L623-I639 HydrophobicContact CG-CD1 4.31Å; I639-I641 HydrophobicContact CD1-CD1 3.87Å; I639-I641 HydrophobicContact CD1-CG1 4.12Å; I639-I641 HydrophobicContact CG1-CD1 4.34Å; I639-I641 HydrophobicContact CG1-CG1 4.13Å; I639-L650 HydrophobicContact CD1-CD2 4.43Å; I639-L650 HydrophobicContact CG2-CD2 4.13Å; I639-D651 WeakPolarHBondContact O-CA 3.37Å; I639-E652 HydrophobicContact CG2-CB 4.33Å; I639-E652 PolarHBondContact N-O 2.9Å; I639-E652 PolarHBondContact O-N 3.02Å; I639-V654 HydrophobicContact CG2-CG2 4.18Å; I639-I685 HydrophobicContact CD1-CG2 4.19Å; I639-I685 HydrophobicContact CG2-CD1 4.07Å; I639-I685 HydrophobicContact CG2-CG1 4.44Å; I639-I685 HydrophobicContact CG2-CG2 3.99Å; I639-L689 HydrophobicContact CD1-CD1 4Å; I639-L689 HydrophobicContact CD1-CD2 4.09Å; I639-L711 HydrophobicContact CD1-CD1 4.06Å; I639-L711 HydrophobicContact CD1-CD2 3.68Å
640	T	98.1	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.6	168	-45.9	0	0	0	0	110.8	L623 D624 V648 L650 D651 S758 M759	L623-T640 WeakPolarHBondContact CA-O 3.42Å; D624-T640 PolarHBondContact N-O 3.45Å; D624-T640 VanDerWaalsContact N-O 3.1Å; D624-T640 PolarHBondContact O-N 2.7Å; T640-V648 HydrophobicContact CG2-CG1 4.46Å; T640-L650 CarbonylContact C-O 3.46Å; T640-L650 WeakPolarHBondContact CA-O 3.4Å; T640-D651 HydrophobicContact CG2-CB 4.06Å; T640-D651 PolarHBondContact OG1-OD1 3Å; T640-S758 WeakPolarHBondContact OG1-CB 3.42Å; T640-S758 PolarHBondContact OG1-OG 3.3Å; T640-M759 HydrophobicContact CG2-CB 3.98Å; T640-M759 HydrophobicContact CG2-CG 4.16Å
641	I	97.6	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.8	176.1	-63	167.5	0	0	0	109.5	Y621 A622 L623 I639 I649 L650 L689 L692 F693	Y621-I641 HydrophobicContact CD1-CG2 4.02Å; Y621-I641 HydrophobicContact CG-CG2 4.19Å; A622-I641 WeakPolarHBondContact O-CA 3.49Å; L623-I641 HydrophobicContact CB-CG1 4.32Å; L623-I641 HydrophobicContact CD1-CD1 4.06Å; L623-I641 HydrophobicContact CD1-CG1 3.92Å; L623-I641 HydrophobicContact CG-CG1 4.04Å; I639-I641 HydrophobicContact CD1-CD1 3.87Å; I639-I641 HydrophobicContact CD1-CG1 4.12Å; I639-I641 HydrophobicContact CG1-CD1 4.34Å; I639-I641 HydrophobicContact CG1-CG1 4.13Å; I641-I649 HydrophobicContact CG2-CB 4.38Å; I641-I649 PolarHBondContact O-N 2.81Å; I641-L650 HydrophobicContact CB-CB 4.06Å; I641-L650 HydrophobicContact CD1-CB 4.12Å; I641-L650 HydrophobicContact CD1-CD2 3.98Å; I641-L650 HydrophobicContact CG1-CB 4.35Å; I641-L650 PolarHBondContact N-O 2.86Å; I641-L650 PolarHBondContact O-N 3.22Å; I641-L689 HydrophobicContact CD1-CD2 3.31Å; I641-L692 HydrophobicContact CD1-CD2 4.16Å; I641-L692 HydrophobicContact CG2-CD2 4.17Å; I641-F693 HydrophobicContact CD1-CE1 4.46Å; I641-F693 HydrophobicContact CD1-CE2 4.24Å; I641-F693 HydrophobicContact CD1-CZ 3.63Å; I641-F693 HydrophobicContact CG1-CZ 4.34Å; I641-F693 HydrophobicContact CG2-CE1 4.43Å; I641-F693 HydrophobicContact CG2-CZ 4.28Å
642	I	95.9	Very high	95.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153	174	70.8	174	0	0	0	112	Y621 A622 L646 Q647 V648 A762 I763 M766	Y621-I642 CarbonylContact C-O 3.54Å; Y621-I642 WeakPolarHBondContact CA-O 3.33Å; Y621-I642 WeakPolarHBondContact CB-O 3.3Å; A622-I642 HydrophobicContact CB-CD1 4.16Å; A622-I642 HydrophobicContact CB-CG1 3.79Å; A622-I642 PolarHBondContact N-O 3.11Å; A622-I642 PolarHBondContact O-N 3.04Å; I642-L646 HydrophobicContact CD1-CD2 4.12Å; I642-Q647 CarbonylContact C-O 3.54Å; I642-Q647 VanDerWaalsContact CA-O 3.22Å; I642-Q647 WeakPolarHBondContact CA-O 2.92Å; I642-Q647 WeakPolarHBondContact CB-O 3.38Å; I642-V648 HydrophobicContact CG2-CG2 4.12Å; I642-A762 HydrophobicContact CD1-CB 4.35Å; I642-A762 WeakPolarHBondContact CD1-O 3.45Å; I642-A762 HydrophobicContact CG1-CB 4.42Å; I642-A762 HydrophobicContact CG2-CB 4.47Å; I642-I763 VanDerWaalsContact CD1-CA 3.44Å; I642-I763 HydrophobicContact CD1-CB 4.16Å; I642-I763 HydrophobicContact CD1-CG1 3.61Å; I642-I763 HydrophobicContact CG2-CG1 4.23Å; I642-M766 HydrophobicContact CD1-CB 3.84Å; I642-M766 HydrophobicContact CD1-CG 4.48Å
643	N	93.3	Very high	95.6	Very high	22 Å²	22	32 Å²	32	12%	0.118	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	172.9	172	73.2	10.9	0	0	0	112.8	Y621 K645 L646 Q647 I649	Y621-N643 HydrophobicContact CD1-CB 4.21Å; Y621-N643 HydrophobicContact CE1-CB 4.21Å; N643-K645 PolarHBondContact O-N 2.66Å; N643-K645 VanDerWaalsContact O-N 3.15Å; N643-K645 VanDerWaalsContact OD1-CA 3.3Å; N643-K645 WeakPolarHBondContact OD1-CA 3.48Å; N643-K645 WeakPolarHBondContact OD1-CB 3.29Å; N643-K645 PolarHBondContact OD1-N 3.07Å; N643-L646 PolarHBondContact O-N 2.99Å; N643-L646 PolarHBondContact OD1-N 3.21Å; N643-Q647 PolarHBondContact N-O 3.22Å; N643-Q647 PolarHBondContact ND2-OE1 3.44Å; N643-Q647 WeakPolarHBondContact OD1-CB 3.47Å; N643-Q647 PolarHBondContact OD1-N 3.16Å; N643-Q647 PolarHBondContact OD1-O 2.78Å; N643-I649 HydrophobicContact CB-CD1 4.06Å; N643-I649 HydrophobicContact CB-CG1 3.95Å
644	S	91.7	Very high	95.7	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.021	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.4	174.3	57	0	0	0	0	115.2	C618 L646 Q770	C618-S644 PolarHBondContact SG-OG 3.16Å; S644-L646 VanDerWaalsContact C-N 3.28Å; S644-Q770 PolarHBondContact O-NE2 2.95Å
645	K	90.5	Very high	95.8	Very high	99 Å²	99	33.6 Å²	33.6	43%	0.43	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	6.4	172.6	-63.2	176.1	176.6	175.6	0	112.7	N614 N643 Q647	N614-K645 PolarHBondContact OD1-NZ 2.71Å; N643-K645 PolarHBondContact O-N 2.66Å; N643-K645 VanDerWaalsContact O-N 3.15Å; N643-K645 VanDerWaalsContact OD1-CA 3.3Å; N643-K645 WeakPolarHBondContact OD1-CA 3.48Å; N643-K645 WeakPolarHBondContact OD1-CB 3.29Å; N643-K645 PolarHBondContact OD1-N 3.07Å; K645-Q647 VanDerWaalsContact C-N 3.28Å; K645-Q647 HydrophobicContact CB-CG 4.17Å; K645-Q647 PolarHBondContact O-N 2.57Å
646	L	92.6	Very high	95.7	Very high	47 Å²	47	33.2 Å²	33.2	25%	0.246	17%	0.167	C	C	.	.	S	Bend	trans	62.9	27.3	-175.7	-52.8	175.6	0	0	0	114	I642 N643 S644 I763 M766 Q767	I642-L646 HydrophobicContact CD1-CD2 4.12Å; N643-L646 PolarHBondContact O-N 2.99Å; N643-L646 PolarHBondContact OD1-N 3.21Å; S644-L646 VanDerWaalsContact C-N 3.28Å; L646-I763 HydrophobicContact CD2-CG2 4.49Å; L646-M766 HydrophobicContact CD2-CB 3.75Å; L646-M766 HydrophobicContact CD2-CG 3.47Å; L646-M766 VanDerWaalsContact CD2-CG 3.47Å; L646-Q767 HydrophobicContact CD1-CG 3.94Å; L646-Q767 HydrophobicContact CD2-CG 4.16Å
647	Q	93.5	Very high	95.5	Very high	106 Å²	106	37.7 Å²	37.7	50%	0.495	19%	0.191	S	C	.	.			trans	-97.5	136.8	175	-52.9	171.2	-78.3	0	0	109.5	I642 N643 K645	I642-Q647 CarbonylContact C-O 3.54Å; I642-Q647 VanDerWaalsContact CA-O 3.22Å; I642-Q647 WeakPolarHBondContact CA-O 2.92Å; I642-Q647 WeakPolarHBondContact CB-O 3.38Å; N643-Q647 PolarHBondContact N-O 3.22Å; N643-Q647 PolarHBondContact ND2-OE1 3.44Å; N643-Q647 WeakPolarHBondContact OD1-CB 3.47Å; N643-Q647 PolarHBondContact OD1-N 3.16Å; N643-Q647 PolarHBondContact OD1-O 2.78Å; K645-Q647 VanDerWaalsContact C-N 3.28Å; K645-Q647 HydrophobicContact CB-CG 4.17Å; K645-Q647 PolarHBondContact O-N 2.57Å
648	V	95.5	Very high	95.4	Very high	61 Å²	61	41.2 Å²	41.2	37%	0.37	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.1	173.5	-178.5	0	0	0	0	109.7	T640 I642 D651 M759	T640-V648 HydrophobicContact CG2-CG1 4.46Å; I642-V648 HydrophobicContact CG2-CG2 4.12Å; V648-D651 HydrophobicContact CG1-CB 3.78Å; V648-M759 HydrophobicContact CG2-CE 3.91Å; V648-M759 HydrophobicContact CG2-CG 4.04Å; V648-M759 HydrophobicContact CG2-SD 3.84Å
649	I	95	Very high	95.3	Very high	75 Å²	75	43.5 Å²	43.5	39%	0.385	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-34.3	178.7	-56.6	-60.1	0	0	0	110.6	Y621 I641 N643 L692	Y621-I649 HydrophobicContact CD1-CG1 4.35Å; Y621-I649 HydrophobicContact CE1-CG1 4.17Å; I641-I649 HydrophobicContact CG2-CB 4.38Å; I641-I649 PolarHBondContact O-N 2.81Å; N643-I649 HydrophobicContact CB-CD1 4.06Å; N643-I649 HydrophobicContact CB-CG1 3.95Å; I649-L692 HydrophobicContact CG2-CD1 3.88Å; I649-L692 HydrophobicContact CG2-CD2 3.76Å
650	L	96.2	Very high	95.1	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.105	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.2	172.6	-165.3	70	0	0	0	108.1	I639 T640 I641 E652 K688 L689	I639-L650 HydrophobicContact CD1-CD2 4.43Å; I639-L650 HydrophobicContact CG2-CD2 4.13Å; T640-L650 CarbonylContact C-O 3.46Å; T640-L650 WeakPolarHBondContact CA-O 3.4Å; I641-L650 HydrophobicContact CB-CB 4.06Å; I641-L650 HydrophobicContact CD1-CB 4.12Å; I641-L650 HydrophobicContact CD1-CD2 3.98Å; I641-L650 HydrophobicContact CG1-CB 4.35Å; I641-L650 PolarHBondContact N-O 2.86Å; I641-L650 PolarHBondContact O-N 3.22Å; L650-E652 HydrophobicContact CD1-CG 3.49Å; L650-E652 VanDerWaalsContact CD1-CG 3.49Å; L650-E652 HydrophobicContact CD2-CG 4.44Å; L650-E652 HydrophobicContact CG-CG 3.72Å; L650-K688 HydrophobicContact CD1-CD 3.93Å; L650-L689 HydrophobicContact CD2-CD2 4.14Å
651	D	97	Very high	94.9	Very high	54 Å²	54	45.8 Å²	45.8	29%	0.289	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	103.6	164.9	-170.5	24.1	0	0	0	107.4	R638 I639 T640 V648 M759	R638-D651 IonicContact CZ-OD1 3.08Å; R638-D651 VanDerWaalsContact CZ-OD1 3.32Å; R638-D651 IonicContact CZ-OD2 2.85Å; R638-D651 IonicContact NE-OD1 3.38Å; R638-D651 PolarHBondContact NE-OD1 3.33Å; R638-D651 IonicContact NE-OD2 2.7Å; R638-D651 VanDerWaalsContact NH2-CG 3.3Å; R638-D651 IonicContact NH2-OD1 2.71Å; R638-D651 PolarHBondContact NH2-OD1 3.41Å; R638-D651 IonicContact NH2-OD2 3.47Å; R638-D651 PolarHBondContact NH2-OD2 3.35Å; I639-D651 WeakPolarHBondContact O-CA 3.37Å; T640-D651 HydrophobicContact CG2-CB 4.06Å; T640-D651 PolarHBondContact OG1-OD1 3Å; V648-D651 HydrophobicContact CG1-CB 3.78Å; D651-M759 HydrophobicContact CB-CE 4.44Å; D651-M759 WeakPolarHBondContact OD2-CE 3.37Å
652	E	97.1	Very high	94.8	Very high	49 Å²	49	47.5 Å²	47.5	23%	0.229	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.2	-165.3	-62.4	-81.3	-156	0	0	110.7	R638 I639 L650 Y680 I685 K688	R638-E652 VanDerWaalsContact CA-O 3.29Å; R638-E652 WeakPolarHBondContact CA-O 3.36Å; R638-E652 WeakPolarHBondContact CG-O 3.46Å; I639-E652 HydrophobicContact CG2-CB 4.33Å; I639-E652 PolarHBondContact N-O 2.9Å; I639-E652 PolarHBondContact O-N 3.02Å; L650-E652 HydrophobicContact CD1-CG 3.49Å; L650-E652 VanDerWaalsContact CD1-CG 3.49Å; L650-E652 HydrophobicContact CD2-CG 4.44Å; L650-E652 HydrophobicContact CG-CG 3.72Å; E652-Y680 HydrophobicContact CG-CD2 4.48Å; E652-Y680 WeakPolarHBondContact OE1-CE2 3.09Å; E652-Y680 WeakPolarHBondContact OE2-CD2 3.2Å; E652-Y680 VanDerWaalsContact OE2-CE2 3.29Å; E652-Y680 WeakPolarHBondContact OE2-CE2 3.05Å; E652-I685 HydrophobicContact CB-CD1 4.11Å; E652-I685 HydrophobicContact CG-CD1 4.46Å; E652-K688 IonicContact OE1-NZ 2.78Å; E652-K688 PolarHBondContact OE1-NZ 2.82Å
653	F	97.2	Very high	94.7	Very high	73 Å²	73	48 Å²	48	32%	0.32	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	146.4	164.5	-63.7	-95.2	0	0	0	109.8	A637 R638 L670 D674 A678	A637-F653 CarbonylContact O-C 3.52Å; A637-F653 WeakPolarHBondContact O-CA 3.49Å; R638-F653 HydrophobicContact CB-CD1 4.5Å; F653-L670 HydrophobicContact CD1-CD2 4.11Å; F653-L670 HydrophobicContact CE1-CD2 3.67Å; F653-D674 HydrophobicContact CD1-CB 4.08Å; F653-D674 HydrophobicContact CE1-CB 3.63Å; F653-D674 HydrophobicContact CZ-CB 4.09Å; F653-A678 HydrophobicContact CB-CB 3.82Å
654	V	97	Very high	94.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-124.4	130.6	-175.9	-168.2	0	0	0	0	108.7	L636 A637 I639 P656 Y680 I685	L636-V654 HydrophobicContact CD2-CB 4.41Å; L636-V654 HydrophobicContact CD2-CG1 4.29Å; L636-V654 HydrophobicContact CD2-CG2 3.94Å; L636-V654 HydrophobicContact CG-CB 4.3Å; L636-V654 HydrophobicContact CG-CG2 4.05Å; A637-V654 WeakPolarHBondContact CA-O 3.24Å; A637-V654 PolarHBondContact O-N 2.94Å; I639-V654 HydrophobicContact CG2-CG2 4.18Å; V654-P656 WeakPolarHBondContact O-CD 3.28Å; V654-Y680 CarbonylContact C-O 3.5Å; V654-Y680 WeakPolarHBondContact CA-O 3.48Å; V654-Y680 WeakPolarHBondContact CG1-O 3.03Å; V654-I685 HydrophobicContact CG1-CG1 4.21Å; V654-I685 HydrophobicContact CG2-CD1 4.17Å; V654-I685 HydrophobicContact CG2-CG1 3.76Å
655	C	96.5	Very high	94.7	Very high	39 Å²	39	50 Å²	50	26%	0.264	26%	0.264	S	S	.	.			trans	-77	119.8	172.4	-172.5	0	0	0	0	109	A678 Y680	C655-A678 HydrophobicContact CB-CB 4.24Å; C655-Y680 PolarHBondContact N-O 2.78Å
656	P	96.1	Very high	94.7	Very high	16 Å²	16	50.5 Å²	50.5	10%	0.104	26%	0.263	C	S	.	.			trans	-67.5	148.9	173	-17.6	32.2	0	0	0	111	V628 T630 E635 V654 H658 I660 I675	V628-P656 HydrophobicContact CG2-CG 3.85Å; T630-P656 HydrophobicContact CG2-CB 3.91Å; T630-P656 HydrophobicContact CG2-CG 4.41Å; E635-P656 HydrophobicContact CB-CB 4.32Å; V654-P656 WeakPolarHBondContact O-CD 3.28Å; P656-H658 VanDerWaalsContact C-N 3.28Å; P656-H658 PolarHBondContact O-N 2.59Å; P656-I660 HydrophobicContact CG-CD1 4.19Å; P656-I660 HydrophobicContact CG-CG1 4.22Å; P656-I675 HydrophobicContact CG-CG2 4.25Å
657	D	93.4	Very high	94.6	Very high	101 Å²	101	52.3 Å²	52.3	54%	0.54	27%	0.269	S	S	.	.	S	Bend	trans	-75.6	-18.2	-179.2	-61	-35.3	0	0	0	112.6	H681 I682	D657-H681 IonicContact OD1-ND1 3.25Å; D657-H681 PolarHBondContact OD1-ND1 3.24Å; D657-I682 WeakPolarHBondContact OD2-CG2 3.29Å
658	H	94.4	Very high	94.6	Very high	73 Å²	73	47.4 Å²	47.4	34%	0.338	25%	0.246	S	C	.	.	S	Bend	trans	-114.7	150.4	-179.2	-62.9	92.1	0	0	0	113.3	T630 E635 P656 I660	T630-H658 WeakPolarHBondContact CG2-O 3.39Å; E635-H658 IonicContact OE1-CE1 3.39Å; E635-H658 IonicContact OE1-CG 3.33Å; E635-H658 IonicContact OE1-ND1 2.72Å; E635-H658 PolarHBondContact OE1-ND1 2.85Å; E635-H658 WeakPolarHBondContact OE2-CB 3.37Å; E635-H658 IonicContact OE2-CG 3.63Å; E635-H658 IonicContact OE2-ND1 2.9Å; P656-H658 VanDerWaalsContact C-N 3.28Å; P656-H658 PolarHBondContact O-N 2.59Å; H658-I660 PolarHBondContact O-N 2.87Å
659	P	94.4	Very high	94.4	Very high	75 Å²	75	45.8 Å²	45.8	49%	0.487	24%	0.242	S	C	.	.			trans	-55.1	130.7	178	-27.5	34.9	0	0	0	114.4	T630 T631	T630-P659 CarbonylContact C-O 3.58Å; T630-P659 WeakPolarHBondContact CA-O 3.48Å; T630-P659 WeakPolarHBondContact CB-O 3.34Å; T631-P659 HydrophobicContact CG2-CB 4.32Å; T631-P659 PolarHBondContact N-O 3.02Å; T631-P659 VanDerWaalsContact N-O 3.08Å
660	I	95	Very high	94.4	Very high	22 Å²	22	42.4 Å²	42.4	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.5	-176.3	-58.6	170.2	0	0	0	111.5	R580 T630 P656 H658 L672 I675	R580-I660 PolarHBondContact NE-O 3.17Å; R580-I660 PolarHBondContact NH2-O 2.78Å; T630-I660 HydrophobicContact CG2-CG1 4.18Å; P656-I660 HydrophobicContact CG-CD1 4.19Å; P656-I660 HydrophobicContact CG-CG1 4.22Å; H658-I660 PolarHBondContact O-N 2.87Å; I660-L672 HydrophobicContact CB-CD1 4.4Å; I660-L672 HydrophobicContact CD1-CD1 3.92Å; I660-L672 HydrophobicContact CG2-CD1 4.39Å; I660-I675 HydrophobicContact CD1-CB 4.29Å; I660-I675 HydrophobicContact CD1-CD1 4.35Å; I660-I675 HydrophobicContact CD1-CG2 3.72Å
661	I	93.9	Very high	94.2	Very high	25 Å²	25	47.2 Å²	47.2	13%	0.128	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-40.5	172.8	-57.1	179.1	0	0	0	110.2	R580 V583 Y629 T630 T631	R580-I661 HydrophobicContact CB-CG2 3.9Å; R580-I661 WeakPolarHBondContact CB-O 3.2Å; R580-I661 WeakPolarHBondContact CD-O 3.47Å; V583-I661 HydrophobicContact CG1-CB 3.97Å; V583-I661 HydrophobicContact CG1-CG2 3.52Å; Y629-I661 PolarHBondContact O-N 3.08Å; T630-I661 WeakPolarHBondContact O-CD1 3.44Å; T631-I661 HydrophobicContact CG2-CD1 4.24Å; T631-I661 HydrophobicContact CG2-CG1 4.42Å
662	D	94.5	Very high	94.1	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.193	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	126.9	174.3	-168.3	-15	0	0	0	111.5	R523 V583 Y629 N664	R523-D662 IonicContact CZ-OD2 2.78Å; R523-D662 IonicContact NH1-OD2 3.65Å; R523-D662 PolarHBondContact NH1-OD2 2.6Å; R523-D662 IonicContact NH2-OD2 2.75Å; R523-D662 PolarHBondContact NH2-OD2 3.3Å; V583-D662 HydrophobicContact CG1-CB 4.4Å; Y629-D662 PolarHBondContact N-O 3.08Å; Y629-D662 PolarHBondContact O-N 3.39Å; D662-N664 PolarHBondContact O-N 3.3Å; D662-N664 VanDerWaalsContact O-N 3.16Å; D662-N664 PolarHBondContact OD1-N 2.86Å
663	C	94.1	Very high	93.9	Very high	12 Å²	12	49.8 Å²	49.8	8%	0.081	26%	0.256	C	S	.	.			trans	-65.3	-11.3	173.4	-56.6	0	0	0	0	113.1	V628 S665 S668 L672 I675	V628-C663 HydrophobicContact CG1-CB 4.5Å; V628-C663 WeakPolarHBondContact CG1-O 3.19Å; C663-S665 PolarHBondContact O-N 2.69Å; C663-S668 PolarHBondContact O-OG 2.59Å; C663-L672 VanDerWaalsContact SG-CA 3.57Å; C663-I675 HydrophobicContact CB-CD1 4.42Å
664	N	93.1	Very high	93.7	Very high	25 Å²	25	48.8 Å²	48.8	13%	0.134	25%	0.254	C	S	.	.			trans	61.6	23.6	176	-160.2	49.2	0	0	0	113.7	R523 Y629 D662 R666 F667 S668	R523-N664 PolarHBondContact NH2-OD1 2.92Å; Y629-N664 HydrophobicContact CD2-CB 4.19Å; Y629-N664 HydrophobicContact CE2-CB 4.37Å; D662-N664 PolarHBondContact O-N 3.3Å; D662-N664 VanDerWaalsContact O-N 3.16Å; D662-N664 PolarHBondContact OD1-N 2.86Å; N664-R666 VanDerWaalsContact C-N 3.27Å; N664-R666 PolarHBondContact O-N 2.81Å; N664-F667 PolarHBondContact O-N 2.88Å; N664-S668 VanDerWaalsContact C-OG 3.26Å; N664-S668 PolarHBondContact O-N 3.38Å; N664-S668 PolarHBondContact O-OG 3.04Å
665	S	92.6	Very high	93.6	Very high	41 Å²	41	48.8 Å²	48.8	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-47.9	-39.8	-163.2	-45.5	0	0	0	0	115	C663 F667 S668 G669 L670 N754 G755	C663-S665 PolarHBondContact O-N 2.69Å; S665-F667 CarbonylContact O-C 3.57Å; S665-F667 PolarHBondContact O-N 2.94Å; S665-S668 VanDerWaalsContact CA-OG 3.31Å; S665-S668 WeakPolarHBondContact CA-OG 3.36Å; S665-S668 PolarHBondContact N-OG 3.35Å; S665-S668 PolarHBondContact O-N 3.41Å; S665-S668 VanDerWaalsContact O-N 3.17Å; S665-G669 PolarHBondContact O-N 3.31Å; S665-L670 WeakPolarHBondContact CB-O 3.42Å; S665-L670 PolarHBondContact OG-O 3.31Å; S665-N754 CarbonylContact C-O 3.55Å; S665-G755 VanDerWaalsContact O-CA 3.3Å; S665-G755 WeakPolarHBondContact O-CA 3.33Å
666	R	89.7	Confident	93.4	Very high	109 Å²	109	53.4 Å²	53.4	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-45.3	-31.9	173.6	176.8	-174.5	-63.8	-67.4	2.7	113.4	N664	N664-R666 VanDerWaalsContact C-N 3.27Å; N664-R666 PolarHBondContact O-N 2.81Å
667	F	91	Very high	93.2	Very high	86 Å²	86	60 Å²	60	38%	0.377	30%	0.301	S	S	.	.	H	α-helix	trans	-107	-43.6	176.7	-55.8	-74.8	0	0	0	111.4	N664 S665 H756	N664-F667 PolarHBondContact O-N 2.88Å; S665-F667 CarbonylContact O-C 3.57Å; S665-F667 PolarHBondContact O-N 2.94Å; F667-H756 WeakPolarHBondContact O-CB 3.45Å; F667-H756 PolarHBondContact O-CD2 3.33Å; F667-H756 VanDerWaalsContact O-CG 3.22Å; F667-H756 PolarHBondContact O-N 3.15Å
668	S	92.6	Very high	93.3	Very high	2 Å²	2	56 Å²	56	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-85.8	-14.7	-168.8	59.6	0	0	0	0	116.5	E626 C663 N664 S665 L670	E626-S668 VanDerWaalsContact CD-O 3.28Å; E626-S668 WeakPolarHBondContact CG-O 3.27Å; E626-S668 VanDerWaalsContact OE2-CA 3.29Å; E626-S668 WeakPolarHBondContact OE2-CA 3.16Å; C663-S668 PolarHBondContact O-OG 2.59Å; N664-S668 VanDerWaalsContact C-OG 3.26Å; N664-S668 PolarHBondContact O-N 3.38Å; N664-S668 PolarHBondContact O-OG 3.04Å; S665-S668 VanDerWaalsContact CA-OG 3.31Å; S665-S668 WeakPolarHBondContact CA-OG 3.36Å; S665-S668 PolarHBondContact N-OG 3.35Å; S665-S668 PolarHBondContact O-N 3.41Å; S665-S668 VanDerWaalsContact O-N 3.17Å; S668-L670 WeakPolarHBondContact O-CG 3.47Å; S668-L670 PolarHBondContact O-N 2.76Å
669	G	92.7	Very high	93.2	Very high	27 Å²	27	60.4 Å²	60.4	28%	0.278	30%	0.301	S	S	.	.			trans	69.8	-14.9	-171.6	0	0	0	0	0	115.2	S665	S665-G669 PolarHBondContact O-N 3.31Å
670	L	93.9	Very high	93.3	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	29%	0.288	C	S	.	.			trans	-75	142.8	-175	-50.5	178.2	0	0	0	112.3	E626 V628 A637 R638 F653 S665 S668 I675	E626-L670 HydrophobicContact CB-CD1 3.86Å; E626-L670 HydrophobicContact CB-CD2 4.31Å; E626-L670 HydrophobicContact CB-CG 4.12Å; V628-L670 HydrophobicContact CG1-CD1 4.01Å; A637-L670 HydrophobicContact CB-CD1 3.46Å; A637-L670 VanDerWaalsContact CB-CD1 3.46Å; R638-L670 HydrophobicContact CB-CD1 4.46Å; R638-L670 HydrophobicContact CB-CD2 3.87Å; F653-L670 HydrophobicContact CD1-CD2 4.11Å; F653-L670 HydrophobicContact CE1-CD2 3.67Å; S665-L670 WeakPolarHBondContact CB-O 3.42Å; S665-L670 PolarHBondContact OG-O 3.31Å; S668-L670 WeakPolarHBondContact O-CG 3.47Å; S668-L670 PolarHBondContact O-N 2.76Å; L670-I675 HydrophobicContact CB-CD1 4.03Å; L670-I675 HydrophobicContact CB-CG1 4.43Å; L670-I675 HydrophobicContact CD1-CD1 4.01Å; L670-I675 HydrophobicContact CD1-CG1 4.38Å
671	K	93.2	Very high	93.4	Very high	122 Å²	122	62 Å²	62	53%	0.53	30%	0.299	S	S	.	.			trans	-103.4	169.9	164.9	-45.2	171.1	-169.3	155.1	0	110.5	E673 D674 I675	K671-E673 WeakPolarHBondContact CB-OE2 3.31Å; K671-D674 VanDerWaalsContact CB-OD2 3.27Å; K671-D674 WeakPolarHBondContact CB-OD2 3.42Å; K671-D674 WeakPolarHBondContact CG-OD2 3.37Å; K671-D674 PolarHBondContact N-OD2 3.05Å; K671-I675 WeakPolarHBondContact O-CD1 3.35Å; K671-I675 WeakPolarHBondContact O-CG1 3.45Å
672	L	93.4	Very high	93.5	Very high	45 Å²	45	62 Å²	62	24%	0.236	30%	0.299	C	S	.	.	H	α-helix	trans	-69.7	-40.8	-180	-177.9	59.9	0	0	0	111	I660 C663 D674 I675 E676	I660-L672 HydrophobicContact CB-CD1 4.4Å; I660-L672 HydrophobicContact CD1-CD1 3.92Å; I660-L672 HydrophobicContact CG2-CD1 4.39Å; C663-L672 VanDerWaalsContact SG-CA 3.57Å; L672-D674 VanDerWaalsContact C-N 3.27Å; L672-D674 PolarHBondContact O-N 3.06Å; L672-I675 PolarHBondContact O-N 3.49Å; L672-I675 VanDerWaalsContact O-N 3.12Å; L672-E676 HydrophobicContact CD1-CG 4.06Å; L672-E676 WeakPolarHBondContact CD2-OE1 3.31Å; L672-E676 HydrophobicContact CG-CG 4.13Å; L672-E676 WeakPolarHBondContact CG-OE1 3.39Å; L672-E676 WeakPolarHBondContact O-CG 3.4Å; L672-E676 PolarHBondContact O-N 2.88Å
673	E	93.9	Very high	93.6	Very high	111 Å²	111	64.3 Å²	64.3	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-33.6	-177.8	-54.8	87.9	159.5	0	0	112.2	K671 I675 Q677	K671-E673 WeakPolarHBondContact CB-OE2 3.31Å; E673-I675 VanDerWaalsContact C-N 3.34Å; E673-Q677 WeakPolarHBondContact O-CG 3.49Å; E673-Q677 PolarHBondContact O-N 2.79Å; E673-Q677 PolarHBondContact O-NE2 3.5Å
674	D	92.4	Very high	93.7	Very high	52 Å²	52	65.7 Å²	65.7	28%	0.278	32%	0.321	S	S	.	.	H	α-helix	trans	-71	-32.2	178.3	-52.2	-47.4	0	0	0	111.4	F653 K671 L672	F653-D674 HydrophobicContact CD1-CB 4.08Å; F653-D674 HydrophobicContact CE1-CB 3.63Å; F653-D674 HydrophobicContact CZ-CB 4.09Å; K671-D674 VanDerWaalsContact CB-OD2 3.27Å; K671-D674 WeakPolarHBondContact CB-OD2 3.42Å; K671-D674 WeakPolarHBondContact CG-OD2 3.37Å; K671-D674 PolarHBondContact N-OD2 3.05Å; L672-D674 VanDerWaalsContact C-N 3.27Å; L672-D674 PolarHBondContact O-N 3.06Å
675	I	94.1	Very high	93.9	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-84.9	-37.7	179.8	-55.4	163.9	0	0	0	111.2	V628 A637 P656 I660 C663 L670 K671 L672 E673 Q677 A678	V628-I675 HydrophobicContact CG1-CD1 3.72Å; A637-I675 HydrophobicContact CB-CD1 4.02Å; A637-I675 HydrophobicContact CB-CG1 4.26Å; P656-I675 HydrophobicContact CG-CG2 4.25Å; I660-I675 HydrophobicContact CD1-CB 4.29Å; I660-I675 HydrophobicContact CD1-CD1 4.35Å; I660-I675 HydrophobicContact CD1-CG2 3.72Å; C663-I675 HydrophobicContact CB-CD1 4.42Å; L670-I675 HydrophobicContact CB-CD1 4.03Å; L670-I675 HydrophobicContact CB-CG1 4.43Å; L670-I675 HydrophobicContact CD1-CD1 4.01Å; L670-I675 HydrophobicContact CD1-CG1 4.38Å; K671-I675 WeakPolarHBondContact O-CD1 3.35Å; K671-I675 WeakPolarHBondContact O-CG1 3.45Å; L672-I675 PolarHBondContact O-N 3.49Å; L672-I675 VanDerWaalsContact O-N 3.12Å; E673-I675 VanDerWaalsContact C-N 3.34Å; I675-Q677 PolarHBondContact O-N 2.79Å; I675-A678 WeakPolarHBondContact O-CB 3.21Å; I675-A678 PolarHBondContact O-N 3.46Å
676	E	92.2	Very high	94.1	Very high	136 Å²	136	63.5 Å²	63.5	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-64.5	-17.1	173.5	-72.4	178.6	171.9	0	0	112.6	L672	L672-E676 HydrophobicContact CD1-CG 4.06Å; L672-E676 WeakPolarHBondContact CD2-OE1 3.31Å; L672-E676 HydrophobicContact CG-CG 4.13Å; L672-E676 WeakPolarHBondContact CG-OE1 3.39Å; L672-E676 WeakPolarHBondContact O-CG 3.4Å; L672-E676 PolarHBondContact O-N 2.88Å
677	Q	93.2	Very high	94.4	Very high	154 Å²	154	59.8 Å²	59.8	72%	0.72	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1.3	171.5	-72.2	171.8	85.9	0	0	113.7	E673 I675 K679	E673-Q677 WeakPolarHBondContact O-CG 3.49Å; E673-Q677 PolarHBondContact O-N 2.79Å; E673-Q677 PolarHBondContact O-NE2 3.5Å; I675-Q677 PolarHBondContact O-N 2.79Å; Q677-K679 PolarHBondContact O-N 2.91Å
678	A	94.3	Very high	94.6	Very high	18 Å²	18	58 Å²	58	15%	0.149	29%	0.291	C	S	.	.			trans	-67.5	124.4	-178.1	0	0	0	0	0	111.7	F653 C655 I675	F653-A678 HydrophobicContact CB-CB 3.82Å; C655-A678 HydrophobicContact CB-CB 4.24Å; I675-A678 WeakPolarHBondContact O-CB 3.21Å; I675-A678 PolarHBondContact O-N 3.46Å
679	K	93.9	Very high	94.7	Very high	164 Å²	164	58 Å²	58	71%	0.713	29%	0.291	S	S	*	.			trans	-79.5	-27	-178.5	-180	176.3	175.6	-175.7	0	113.9	Q677	Q677-K679 PolarHBondContact O-N 2.91Å
680	Y	96	Very high	94.8	Very high	56 Å²	56	58.8 Å²	58.8	22%	0.22	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-107.1	136.8	-165.8	-65.5	-65.4	0	0	0	111.9	E652 V654 C655 D684 I685	E652-Y680 HydrophobicContact CG-CD2 4.48Å; E652-Y680 WeakPolarHBondContact OE1-CE2 3.09Å; E652-Y680 WeakPolarHBondContact OE2-CD2 3.2Å; E652-Y680 VanDerWaalsContact OE2-CE2 3.29Å; E652-Y680 WeakPolarHBondContact OE2-CE2 3.05Å; V654-Y680 CarbonylContact C-O 3.5Å; V654-Y680 WeakPolarHBondContact CA-O 3.48Å; V654-Y680 WeakPolarHBondContact CG1-O 3.03Å; C655-Y680 PolarHBondContact N-O 2.78Å; Y680-D684 HydrophobicContact CD1-CB 3.71Å; Y680-D684 HydrophobicContact CG-CB 4.38Å; Y680-I685 HydrophobicContact CG-CD1 4.48Å
681	H	96.3	Very high	94.6	Very high	76 Å²	76	64 Å²	64	35%	0.352	31%	0.312	S	S	.	.			trans	-90.9	169.9	168.1	-73.9	-91.6	0	0	0	111.2	D657 T683 D684 I685	D657-H681 IonicContact OD1-ND1 3.25Å; D657-H681 PolarHBondContact OD1-ND1 3.24Å; H681-T683 PolarHBondContact O-N 3.46Å; H681-T683 VanDerWaalsContact O-N 3.16Å; H681-D684 PolarHBondContact N-OD2 3.49Å; H681-D684 PolarHBondContact O-N 2.93Å; H681-I685 PolarHBondContact O-N 3.48Å
682	I	96.3	Very high	94.6	Very high	23 Å²	23	60.4 Å²	60.4	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-52.7	-36.9	177.2	-177.2	59.4	0	0	0	112.7	L636 D657 I685 Q686	L636-I682 HydrophobicContact CD2-CD1 3.79Å; D657-I682 WeakPolarHBondContact OD2-CG2 3.29Å; I682-I685 PolarHBondContact O-N 3.42Å; I682-Q686 WeakPolarHBondContact O-CB 3.23Å; I682-Q686 VanDerWaalsContact O-CG 3.31Å; I682-Q686 WeakPolarHBondContact O-CG 3.41Å; I682-Q686 PolarHBondContact O-N 2.89Å
683	T	96.2	Very high	94.6	Very high	86 Å²	86	58.3 Å²	58.3	53%	0.528	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	-38.1	177.9	46.6	0	0	0	0	113.4	H681 Q686 A687	H681-T683 PolarHBondContact O-N 3.46Å; H681-T683 VanDerWaalsContact O-N 3.16Å; T683-Q686 PolarHBondContact O-N 2.88Å; T683-A687 PolarHBondContact O-N 3.05Å
684	D	96.9	Very high	94.5	Very high	41 Å²	41	54 Å²	54	22%	0.219	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-41.6	175.9	-59.5	-54.4	0	0	0	111.1	Y680 H681 A687 K688	Y680-D684 HydrophobicContact CD1-CB 3.71Å; Y680-D684 HydrophobicContact CG-CB 4.38Å; H681-D684 PolarHBondContact N-OD2 3.49Å; H681-D684 PolarHBondContact O-N 2.93Å; D684-A687 PolarHBondContact O-N 2.97Å; D684-K688 WeakPolarHBondContact O-CG 3.42Å; D684-K688 PolarHBondContact O-N 3.46Å
685	I	97.2	Very high	94.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-48.9	174.2	-60.9	-56.7	0	0	0	109.6	I639 E652 V654 Y680 H681 I682 A687 K688 L689 L711	I639-I685 HydrophobicContact CD1-CG2 4.19Å; I639-I685 HydrophobicContact CG2-CD1 4.07Å; I639-I685 HydrophobicContact CG2-CG1 4.44Å; I639-I685 HydrophobicContact CG2-CG2 3.99Å; E652-I685 HydrophobicContact CB-CD1 4.11Å; E652-I685 HydrophobicContact CG-CD1 4.46Å; V654-I685 HydrophobicContact CG1-CG1 4.21Å; V654-I685 HydrophobicContact CG2-CD1 4.17Å; V654-I685 HydrophobicContact CG2-CG1 3.76Å; Y680-I685 HydrophobicContact CG-CD1 4.48Å; H681-I685 PolarHBondContact O-N 3.48Å; I682-I685 PolarHBondContact O-N 3.42Å; I685-A687 VanDerWaalsContact C-N 3.28Å; I685-A687 PolarHBondContact O-N 2.95Å; I685-K688 HydrophobicContact CD1-CD 4.41Å; I685-K688 WeakPolarHBondContact O-CB 3.43Å; I685-K688 PolarHBondContact O-N 3.3Å; I685-K688 VanDerWaalsContact O-N 3.1Å; I685-L689 HydrophobicContact CG2-CD1 4.31Å; I685-L689 HydrophobicContact CG2-CG 4.16Å; I685-L689 VanDerWaalsContact O-CG 3.31Å; I685-L689 WeakPolarHBondContact O-CG 3.43Å; I685-L689 PolarHBondContact O-N 3.44Å; I685-L711 HydrophobicContact CG2-CD2 3.9Å
686	Q	97.1	Very high	94.4	Very high	19 Å²	19	56.4 Å²	56.4	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-54.6	-42.1	174.6	-77.2	-179.4	-13.9	0	0	112.4	G594 V596 I682 T683 L689 L690 L711 K712	G594-Q686 PolarHBondContact O-NE2 2.91Å; V596-Q686 HydrophobicContact CG2-CB 4.1Å; V596-Q686 HydrophobicContact CG2-CG 3.79Å; I682-Q686 WeakPolarHBondContact O-CB 3.23Å; I682-Q686 VanDerWaalsContact O-CG 3.31Å; I682-Q686 WeakPolarHBondContact O-CG 3.41Å; I682-Q686 PolarHBondContact O-N 2.89Å; T683-Q686 PolarHBondContact O-N 2.88Å; Q686-L689 PolarHBondContact O-N 3.03Å; Q686-L690 WeakPolarHBondContact O-CB 3.4Å; Q686-L690 VanDerWaalsContact O-CG 3.29Å; Q686-L690 WeakPolarHBondContact O-CG 3.41Å; Q686-L690 PolarHBondContact O-N 2.99Å; Q686-L711 PolarHBondContact NE2-O 3.43Å; Q686-L711 VanDerWaalsContact NE2-O 3.14Å; Q686-K712 PolarHBondContact NE2-O 3.16Å
687	A	95.5	Very high	94.5	Very high	32 Å²	32	50 Å²	50	26%	0.264	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-45.4	175.4	0	0	0	0	0	112.3	Y272 T683 D684 I685 L689 L690 H691	Y272-A687 HydrophobicContact CE2-CB 3.88Å; T683-A687 PolarHBondContact O-N 3.05Å; D684-A687 PolarHBondContact O-N 2.97Å; I685-A687 VanDerWaalsContact C-N 3.28Å; I685-A687 PolarHBondContact O-N 2.95Å; A687-L689 VanDerWaalsContact C-N 3.34Å; A687-L689 PolarHBondContact O-N 3.15Å; A687-L690 PolarHBondContact O-N 2.85Å; A687-H691 PolarHBondContact O-N 3.13Å; A687-H691 VanDerWaalsContact O-N 3.12Å
688	K	94.9	Very high	94.6	Very high	49 Å²	49	42.7 Å²	42.7	21%	0.213	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-42.9	172.6	-71.7	173.6	170.8	175.4	0	111.8	L650 E652 D684 I685 H691 L692	L650-K688 HydrophobicContact CD1-CD 3.93Å; E652-K688 IonicContact OE1-NZ 2.78Å; E652-K688 PolarHBondContact OE1-NZ 2.82Å; D684-K688 WeakPolarHBondContact O-CG 3.42Å; D684-K688 PolarHBondContact O-N 3.46Å; I685-K688 HydrophobicContact CD1-CD 4.41Å; I685-K688 WeakPolarHBondContact O-CB 3.43Å; I685-K688 PolarHBondContact O-N 3.3Å; I685-K688 VanDerWaalsContact O-N 3.1Å; K688-H691 WeakPolarHBondContact O-CB 3.19Å; K688-H691 PolarHBondContact O-N 3.4Å; K688-L692 WeakPolarHBondContact O-CB 3.27Å; K688-L692 PolarHBondContact O-N 3.25Å
689	L	95.5	Very high	94.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-39.3	-179.6	-62.5	-161.7	0	0	0	112.8	I639 I641 L650 I685 Q686 A687 H691 L692 F693 L711 L713	I639-L689 HydrophobicContact CD1-CD1 4Å; I639-L689 HydrophobicContact CD1-CD2 4.09Å; I641-L689 HydrophobicContact CD1-CD2 3.31Å; L650-L689 HydrophobicContact CD2-CD2 4.14Å; I685-L689 HydrophobicContact CG2-CD1 4.31Å; I685-L689 HydrophobicContact CG2-CG 4.16Å; I685-L689 VanDerWaalsContact O-CG 3.31Å; I685-L689 WeakPolarHBondContact O-CG 3.43Å; I685-L689 PolarHBondContact O-N 3.44Å; Q686-L689 PolarHBondContact O-N 3.03Å; A687-L689 VanDerWaalsContact C-N 3.34Å; A687-L689 PolarHBondContact O-N 3.15Å; L689-H691 PolarHBondContact O-N 2.88Å; L689-L692 PolarHBondContact O-N 2.92Å; L689-F693 HydrophobicContact CB-CD2 4.15Å; L689-F693 HydrophobicContact CB-CE2 4.33Å; L689-F693 HydrophobicContact CD1-CE2 4.22Å; L689-F693 HydrophobicContact CD2-CE2 3.95Å; L689-F693 HydrophobicContact CD2-CZ 4.34Å; L689-F693 HydrophobicContact CG-CE2 4.38Å; L689-F693 WeakPolarHBondContact O-CB 3.42Å; L689-F693 PolarHBondContact O-N 3.08Å; L689-L711 HydrophobicContact CD1-CD1 4.13Å; L689-L711 HydrophobicContact CD1-CD2 4Å; L689-L713 HydrophobicContact CD1-CD2 3.79Å
690	L	93.5	Very high	95	Very high	43 Å²	43	34 Å²	34	23%	0.225	18%	0.179	C	C	.	.	H	α-helix	trans	-71	-18.1	175.2	-67.4	174.6	0	0	0	113.2	R265 V596 I597 Q686 A687	R265-L690 PolarHBondContact NH1-O 3.22Å; V596-L690 HydrophobicContact CB-CD1 4.08Å; V596-L690 HydrophobicContact CG1-CD1 4.38Å; V596-L690 HydrophobicContact CG2-CD1 4.21Å; V596-L690 HydrophobicContact CG2-CD2 4.41Å; V596-L690 HydrophobicContact CG2-CG 4.4Å; I597-L690 VanDerWaalsContact O-CD2 3.31Å; I597-L690 WeakPolarHBondContact O-CD2 3.34Å; Q686-L690 WeakPolarHBondContact O-CB 3.4Å; Q686-L690 VanDerWaalsContact O-CG 3.29Å; Q686-L690 WeakPolarHBondContact O-CG 3.41Å; Q686-L690 PolarHBondContact O-N 2.99Å; A687-L690 PolarHBondContact O-N 2.85Å
691	H	91.1	Very high	95.1	Very high	114 Å²	114	31.4 Å²	31.4	53%	0.528	17%	0.168	S	C	.	.	H	α-helix	trans	-78.4	-50.3	166.3	-170.4	109.3	0	0	0	111.1	R265 L269 A687 K688 L689	R265-H691 PolarHBondContact NH2-O 3.36Å; L269-H691 WeakPolarHBondContact CD2-ND1 3.44Å; A687-H691 PolarHBondContact O-N 3.13Å; A687-H691 VanDerWaalsContact O-N 3.12Å; K688-H691 WeakPolarHBondContact O-CB 3.19Å; K688-H691 PolarHBondContact O-N 3.4Å; L689-H691 PolarHBondContact O-N 2.88Å
692	L	91.7	Very high	95.1	Very high	45 Å²	45	29.4 Å²	29.4	24%	0.236	16%	0.159	C	C	.	.	H	α-helix	trans	-71.4	-34.6	-174.4	-175.9	62.2	0	0	0	113.8	Y621 I641 I649 K688 L689	Y621-L692 HydrophobicContact CE1-CD1 4.19Å; Y621-L692 HydrophobicContact CE2-CD1 4.45Å; Y621-L692 HydrophobicContact CE2-CG 4.36Å; Y621-L692 WeakPolarHBondContact OH-CD1 3.5Å; I641-L692 HydrophobicContact CD1-CD2 4.16Å; I641-L692 HydrophobicContact CG2-CD2 4.17Å; I649-L692 HydrophobicContact CG2-CD1 3.88Å; I649-L692 HydrophobicContact CG2-CD2 3.76Å; K688-L692 WeakPolarHBondContact O-CB 3.27Å; K688-L692 PolarHBondContact O-N 3.25Å; L689-L692 PolarHBondContact O-N 2.92Å
693	F	93.9	Very high	95.1	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.164	C	C	.	.			trans	-109.7	143.3	-175.1	-53.2	-30	0	0	0	111.9	R265 T598 Y621 L623 I641 L689 T697 L699 L713	R265-F693 PolarHBondContact NH1-O 3.21Å; T598-F693 HydrophobicContact CG2-CB 4.08Å; Y621-F693 AromaticContact CD2-CD1 3.77Å; Y621-F693 HydrophobicContact CD2-CD1 3.77Å; Y621-F693 AromaticContact CD2-CE1 3.46Å; Y621-F693 HydrophobicContact CD2-CE1 3.46Å; Y621-F693 VanDerWaalsContact CD2-CE1 3.46Å; Y621-F693 AromaticContact CE2-CD1 3.97Å; Y621-F693 HydrophobicContact CE2-CD1 3.97Å; Y621-F693 AromaticContact CE2-CE1 4Å; Y621-F693 HydrophobicContact CE2-CE1 4Å; Y621-F693 AromaticContact CG-CE1 3.84Å; Y621-F693 HydrophobicContact CG-CE1 3.84Å; L623-F693 HydrophobicContact CD1-CE2 4.09Å; L623-F693 HydrophobicContact CD1-CZ 4.23Å; I641-F693 HydrophobicContact CD1-CE1 4.46Å; I641-F693 HydrophobicContact CD1-CE2 4.24Å; I641-F693 HydrophobicContact CD1-CZ 3.63Å; I641-F693 HydrophobicContact CG1-CZ 4.34Å; I641-F693 HydrophobicContact CG2-CE1 4.43Å; I641-F693 HydrophobicContact CG2-CZ 4.28Å; L689-F693 HydrophobicContact CB-CD2 4.15Å; L689-F693 HydrophobicContact CB-CE2 4.33Å; L689-F693 HydrophobicContact CD1-CE2 4.22Å; L689-F693 HydrophobicContact CD2-CE2 3.95Å; L689-F693 HydrophobicContact CD2-CZ 4.34Å; L689-F693 HydrophobicContact CG-CE2 4.38Å; L689-F693 WeakPolarHBondContact O-CB 3.42Å; L689-F693 PolarHBondContact O-N 3.08Å; F693-T697 HydrophobicContact CB-CG2 4.31Å; F693-T697 HydrophobicContact CD1-CG2 3.82Å; F693-T697 HydrophobicContact CE1-CG2 4.5Å; F693-T697 HydrophobicContact CG-CG2 4.27Å; F693-L699 HydrophobicContact CD1-CD2 4.14Å; F693-L699 HydrophobicContact CD2-CD1 4.33Å; F693-L699 HydrophobicContact CD2-CD2 4.06Å; F693-L699 HydrophobicContact CE1-CD2 3.77Å; F693-L699 HydrophobicContact CE2-CD1 4.13Å; F693-L699 HydrophobicContact CE2-CD2 3.67Å; F693-L699 HydrophobicContact CG-CD2 4.28Å; F693-L699 HydrophobicContact CZ-CD2 3.51Å; F693-L713 HydrophobicContact CD2-CD2 4.4Å
694	D	92.7	Very high	95.1	Very high	22 Å²	22	25.7 Å²	25.7	12%	0.118	14%	0.139	C	C	.	.			trans	-115	172.9	163.7	56.1	34.9	0	0	0	110.1	L599 P601 N619 D696 T697	L599-D694 CarbonylContact O-C 3.56Å; L599-D694 VanDerWaalsContact O-CA 3.27Å; L599-D694 WeakPolarHBondContact O-CA 3.42Å; L599-D694 WeakPolarHBondContact O-CB 3.23Å; P601-D694 HydrophobicContact CB-CB 4.17Å; N619-D694 PolarHBondContact ND2-OD1 3.08Å; N619-D694 VanDerWaalsContact ND2-OD1 3.15Å; N619-D694 PolarHBondContact ND2-OD2 3.38Å; D694-D696 PolarHBondContact O-N 3.43Å; D694-D696 VanDerWaalsContact O-N 3.15Å; D694-D696 WeakPolarHBondContact OD1-CA 3.35Å; D694-D696 PolarHBondContact OD1-N 3.46Å; D694-T697 PolarHBondContact N-OG1 2.92Å; D694-T697 VanDerWaalsContact O-CB 3.26Å; D694-T697 WeakPolarHBondContact O-CB 3.46Å; D694-T697 PolarHBondContact O-N 3.49Å; D694-T697 VanDerWaalsContact O-N 3.15Å; D694-T697 PolarHBondContact O-OG1 3.42Å; D694-T697 PolarHBondContact OD1-N 3.38Å; D694-T697 PolarHBondContact OD1-OG1 2.94Å
695	S	92.9	Very high	95.1	Very high	39 Å²	39	25.5 Å²	25.5	27%	0.273	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.2	177.5	74.9	0	0	0	0	113.5	L599 P600	L599-S695 PolarHBondContact O-N 3.25Å; P600-S695 WeakPolarHBondContact CA-OG 3.49Å
696	D	92	Very high	95	Very high	65 Å²	65	26.9 Å²	26.9	35%	0.348	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-14.5	175.8	-91	-12.9	0	0	0	113.2	Y466 P601 D694 K717	Y466-D696 VanDerWaalsContact CE2-O 3.23Å; Y466-D696 WeakPolarHBondContact CE2-O 3.42Å; Y466-D696 PolarHBondContact OH-O 2.88Å; P601-D696 HydrophobicContact CG-CB 4.28Å; D694-D696 PolarHBondContact O-N 3.43Å; D694-D696 VanDerWaalsContact O-N 3.15Å; D694-D696 WeakPolarHBondContact OD1-CA 3.35Å; D694-D696 PolarHBondContact OD1-N 3.46Å; D696-K717 VanDerWaalsContact O-CD 3.3Å; D696-K717 WeakPolarHBondContact O-CD 3.38Å; D696-K717 PolarHBondContact O-NZ 3.04Å; D696-K717 IonicContact OD1-NZ 2.77Å; D696-K717 PolarHBondContact OD1-NZ 2.78Å
697	T	94.1	Very high	95	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	15%	0.145	C	C	.	.			trans	-59.8	146.1	175.6	-59.8	0	0	0	0	111.5	N619 Y621 F693 D694 L699 H715 K717	N619-T697 CarbonylContact O-C 3.32Å; N619-T697 WeakPolarHBondContact O-CA 3.47Å; Y621-T697 HydrophobicContact CD2-CG2 3.64Å; Y621-T697 HydrophobicContact CE2-CG2 3.95Å; F693-T697 HydrophobicContact CB-CG2 4.31Å; F693-T697 HydrophobicContact CD1-CG2 3.82Å; F693-T697 HydrophobicContact CE1-CG2 4.5Å; F693-T697 HydrophobicContact CG-CG2 4.27Å; D694-T697 PolarHBondContact N-OG1 2.92Å; D694-T697 VanDerWaalsContact O-CB 3.26Å; D694-T697 WeakPolarHBondContact O-CB 3.46Å; D694-T697 PolarHBondContact O-N 3.49Å; D694-T697 VanDerWaalsContact O-N 3.15Å; D694-T697 PolarHBondContact O-OG1 3.42Å; D694-T697 PolarHBondContact OD1-N 3.38Å; D694-T697 PolarHBondContact OD1-OG1 2.94Å; T697-L699 HydrophobicContact CG2-CD2 4.15Å; T697-H715 PolarHBondContact O-CE1 3.3Å; T697-H715 PolarHBondContact O-NE2 2.55Å; T697-K717 WeakPolarHBondContact O-CB 3.38Å
698	I	95.7	Very high	95.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.7	175.4	-57.7	179.4	0	0	0	108.9	Y466 L469 L473 N619 V620 Y621 K717 V719	Y466-I698 HydrophobicContact CD2-CD1 3.6Å; Y466-I698 HydrophobicContact CD2-CG1 3.97Å; Y466-I698 HydrophobicContact CE2-CD1 3.62Å; Y466-I698 HydrophobicContact CE2-CG1 3.65Å; Y466-I698 HydrophobicContact CG-CD1 4.12Å; L469-I698 HydrophobicContact CB-CD1 3.88Å; L469-I698 HydrophobicContact CD1-CG2 4.24Å; L473-I698 HydrophobicContact CD2-CD1 4.18Å; L473-I698 HydrophobicContact CD2-CG1 4.09Å; L473-I698 HydrophobicContact CD2-CG2 3.96Å; N619-I698 PolarHBondContact O-N 2.37Å; V620-I698 WeakPolarHBondContact CA-O 3.43Å; V620-I698 HydrophobicContact CG2-CB 4.35Å; V620-I698 HydrophobicContact CG2-CD1 4.46Å; Y621-I698 PolarHBondContact N-O 3.29Å; I698-K717 WeakPolarHBondContact CA-O 3.45Å; I698-K717 HydrophobicContact CG1-CB 4.47Å; I698-V719 HydrophobicContact CG2-CB 4.45Å; I698-V719 HydrophobicContact CG2-CG2 3.61Å
699	L	97.5	Very high	95.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.9	174.6	-59	-175.9	0	0	0	111	F693 T697 L704 L708 H715 K717 V718 V719	F693-L699 HydrophobicContact CD1-CD2 4.14Å; F693-L699 HydrophobicContact CD2-CD1 4.33Å; F693-L699 HydrophobicContact CD2-CD2 4.06Å; F693-L699 HydrophobicContact CE1-CD2 3.77Å; F693-L699 HydrophobicContact CE2-CD1 4.13Å; F693-L699 HydrophobicContact CE2-CD2 3.67Å; F693-L699 HydrophobicContact CG-CD2 4.28Å; F693-L699 HydrophobicContact CZ-CD2 3.51Å; T697-L699 HydrophobicContact CG2-CD2 4.15Å; L699-L704 HydrophobicContact CB-CD2 4.01Å; L699-L708 HydrophobicContact CD1-CD2 4.15Å; L699-H715 HydrophobicContact CD1-CB 4.28Å; L699-K717 PolarHBondContact N-O 3.22Å; L699-V718 CarbonylContact O-C 3.55Å; L699-V718 WeakPolarHBondContact O-CA 3.49Å; L699-V719 PolarHBondContact O-N 2.87Å
700	I	98	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.9	176.5	-66.4	163.1	0	0	0	109.3	L469 V620 Y621 A622 L623 V719 T721 C765 M766 V769	L469-I700 HydrophobicContact CD1-CD1 3.88Å; V620-I700 HydrophobicContact CG1-CD1 3.58Å; V620-I700 HydrophobicContact CG1-CG1 4.46Å; Y621-I700 PolarHBondContact O-N 2.82Å; A622-I700 CarbonylContact C-O 3.55Å; A622-I700 VanDerWaalsContact CA-O 3.22Å; A622-I700 WeakPolarHBondContact CA-O 3.47Å; A622-I700 HydrophobicContact CB-CB 3.97Å; A622-I700 HydrophobicContact CB-CG2 4.07Å; L623-I700 PolarHBondContact N-O 3.31Å; I700-V719 WeakPolarHBondContact CA-O 3.49Å; I700-V719 HydrophobicContact CG1-CB 4.12Å; I700-T721 HydrophobicContact CG2-CG2 4.47Å; I700-C765 HydrophobicContact CG2-CB 4.06Å; I700-M766 HydrophobicContact CD1-CE 3.8Å; I700-M766 HydrophobicContact CD1-SD 3.76Å; I700-V769 HydrophobicContact CD1-CB 4.31Å; I700-V769 HydrophobicContact CD1-CG1 3.98Å; I700-V769 HydrophobicContact CD1-CG2 4.44Å; I700-V769 HydrophobicContact CG1-CG2 4.44Å; I700-V769 HydrophobicContact CG2-CB 4.44Å; I700-V769 HydrophobicContact CG2-CG2 3.68Å
701	G	97.9	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-154.1	170.7	0	0	0	0	0	113	V719 T721	G701-V719 PolarHBondContact N-O 2.97Å; G701-T721 WeakPolarHBondContact O-CB 3.36Å; G701-T721 WeakPolarHBondContact O-CG2 3.38Å; G701-T721 PolarHBondContact O-N 3.16Å; G701-T721 PolarHBondContact O-OG1 2.94Å
702	H	97.5	Very high	95.7	Very high	34 Å²	34	19 Å²	19	16%	0.157	11%	0.107	C	C	.	.	S	Bend	trans	-138.3	105.5	-178.5	-167.8	80	0	0	0	112.5	L704 D720 T721 R735 L737	H702-L704 VanDerWaalsContact C-N 3.33Å; H702-D720 WeakPolarHBondContact CA-OD1 3.47Å; H702-T721 WeakPolarHBondContact CB-OG1 3.44Å; H702-T721 PolarHBondContact ND1-OG1 3.09Å; H702-R735 PolarHBondContact CE1-O 2.75Å; H702-R735 PolarHBondContact NE2-O 2.85Å; H702-L737 HydrophobicContact CB-CD1 4.38Å; H702-L737 HydrophobicContact CB-CD2 4.27Å; H702-L737 PolarHBondContact NE2-N 3.09Å; H702-L737 VanDerWaalsContact NE2-N 3.19Å
703	S	95.8	Very high	96	Very high	31 Å²	31	16.9 Å²	16.9	22%	0.217	10%	0.096	C	C	.	.	S	Bend	trans	63.8	38.1	-170.8	-122.8	0	0	0	0	113.1	E705 S706 D720 K734	S703-E705 VanDerWaalsContact C-CD 3.49Å; S703-E705 WeakPolarHBondContact CA-OE2 3.2Å; S703-E705 WeakPolarHBondContact CB-OE1 3.48Å; S703-E705 VanDerWaalsContact O-CD 3.23Å; S703-E705 PolarHBondContact O-N 2.9Å; S703-E705 PolarHBondContact OG-OE1 2.98Å; S703-S706 PolarHBondContact O-N 3.07Å; S703-S706 VanDerWaalsContact O-N 3.17Å; S703-D720 PolarHBondContact N-OD1 3.36Å; S703-D720 PolarHBondContact N-OD2 3.39Å; S703-K734 WeakPolarHBondContact OG-CD 3.27Å; S703-K734 PolarHBondContact OG-NZ 3.08Å
704	L	96.9	Very high	96.1	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-6.5	-172.4	-157.6	76.3	0	0	0	114.4	Y484 L623 L699 H702 S706 D707 L708 V718	Y484-L704 HydrophobicContact CE1-CB 4.07Å; L623-L704 HydrophobicContact CB-CD1 4.45Å; L623-L704 HydrophobicContact CD2-CD1 3.82Å; L623-L704 WeakPolarHBondContact O-CD1 3.29Å; L699-L704 HydrophobicContact CB-CD2 4.01Å; H702-L704 VanDerWaalsContact C-N 3.33Å; L704-S706 PolarHBondContact O-N 2.68Å; L704-D707 WeakPolarHBondContact CA-OD2 3.46Å; L704-D707 HydrophobicContact CD1-CB 3.83Å; L704-D707 HydrophobicContact CG-CB 4.31Å; L704-D707 PolarHBondContact O-N 3.4Å; L704-L708 HydrophobicContact CD2-CD1 4.04Å; L704-L708 HydrophobicContact CD2-CG 4.3Å; L704-L708 HydrophobicContact CG-CD1 4.28Å; L704-L708 HydrophobicContact CG-CG 4.18Å; L704-L708 PolarHBondContact O-N 3.17Å; L704-L708 VanDerWaalsContact O-N 3.08Å; L704-V718 HydrophobicContact CB-CG1 4.4Å; L704-V718 HydrophobicContact CD2-CG1 3.86Å; L704-V718 HydrophobicContact CD2-CG2 4.45Å
705	E	95.3	Very high	96.3	Very high	36 Å²	36	16.3 Å²	16.3	17%	0.168	9%	0.093	C	C	.	.	H	α-helix	trans	-57.1	-34.7	169.5	67	-84.5	-175.7	0	0	112.5	Y484 S703 T709 K734	Y484-E705 HydrophobicContact CD1-CB 4.22Å; Y484-E705 HydrophobicContact CD2-CB 3.99Å; Y484-E705 HydrophobicContact CE1-CB 4.17Å; Y484-E705 VanDerWaalsContact CE1-N 3.32Å; Y484-E705 HydrophobicContact CE2-CB 3.96Å; Y484-E705 HydrophobicContact CG-CB 4.11Å; Y484-E705 PolarHBondContact OH-N 3.3Å; S703-E705 VanDerWaalsContact C-CD 3.49Å; S703-E705 WeakPolarHBondContact CA-OE2 3.2Å; S703-E705 WeakPolarHBondContact CB-OE1 3.48Å; S703-E705 VanDerWaalsContact O-CD 3.23Å; S703-E705 PolarHBondContact O-N 2.9Å; S703-E705 PolarHBondContact OG-OE1 2.98Å; E705-T709 WeakPolarHBondContact O-CB 3.46Å; E705-T709 PolarHBondContact O-N 2.82Å; E705-T709 PolarHBondContact O-OG1 2.61Å; E705-K734 IonicContact OE1-NZ 3.83Å; E705-K734 PolarHBondContact OE1-NZ 3.25Å; E705-K734 IonicContact OE2-NZ 2.84Å; E705-K734 PolarHBondContact OE2-NZ 3.15Å
706	S	95.1	Very high	96.4	Very high	30 Å²	30	18.2 Å²	18.2	21%	0.21	10%	0.097	C	C	.	.	H	α-helix	trans	-73.8	-42.5	179.6	177.2	0	0	0	0	111.7	K588 S703 L704 T709 A710	K588-S706 PolarHBondContact NZ-OG 3.37Å; S703-S706 PolarHBondContact O-N 3.07Å; S703-S706 VanDerWaalsContact O-N 3.17Å; L704-S706 PolarHBondContact O-N 2.68Å; S706-T709 PolarHBondContact O-N 3.45Å; S706-A710 WeakPolarHBondContact O-CB 3.44Å; S706-A710 PolarHBondContact O-N 3.43Å
707	D	97.7	Very high	96.6	Very high	11 Å²	11	17.3 Å²	17.3	6%	0.059	9%	0.089	C	C	.	.	H	α-helix	trans	-67.9	-47.9	-176	-51.5	-108.7	0	0	0	110.8	L623 C625 L704 T709 A710 L711	L623-D707 HydrophobicContact CD2-CB 4.03Å; C625-D707 HydrophobicContact CB-CB 4.2Å; C625-D707 WeakPolarHBondContact CB-OD1 3.31Å; C625-D707 PolarHBondContact N-OD1 3.4Å; L704-D707 WeakPolarHBondContact CA-OD2 3.46Å; L704-D707 HydrophobicContact CD1-CB 3.83Å; L704-D707 HydrophobicContact CG-CB 4.31Å; L704-D707 PolarHBondContact O-N 3.4Å; D707-T709 VanDerWaalsContact C-N 3.27Å; D707-T709 PolarHBondContact O-N 3.15Å; D707-A710 PolarHBondContact O-N 2.64Å; D707-L711 WeakPolarHBondContact O-CB 3.24Å; D707-L711 VanDerWaalsContact O-CG 3.3Å; D707-L711 WeakPolarHBondContact O-CG 3.41Å; D707-L711 PolarHBondContact O-N 3.18Å
708	L	97.6	Very high	96.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-29.7	176.5	-71.8	174.7	0	0	0	112.6	Y484 P485 L699 L704 K712 L713 V718	Y484-L708 HydrophobicContact CD1-CD1 3.91Å; Y484-L708 HydrophobicContact CE1-CD1 3.98Å; P485-L708 HydrophobicContact CG-CB 3.94Å; L699-L708 HydrophobicContact CD1-CD2 4.15Å; L704-L708 HydrophobicContact CD2-CD1 4.04Å; L704-L708 HydrophobicContact CD2-CG 4.3Å; L704-L708 HydrophobicContact CG-CD1 4.28Å; L704-L708 HydrophobicContact CG-CG 4.18Å; L704-L708 PolarHBondContact O-N 3.17Å; L704-L708 VanDerWaalsContact O-N 3.08Å; L708-K712 PolarHBondContact O-N 2.98Å; L708-K712 VanDerWaalsContact O-N 3.15Å; L708-L713 HydrophobicContact CD2-CB 4.05Å; L708-L713 HydrophobicContact CD2-CD2 3.84Å; L708-L713 HydrophobicContact CD2-CG 4.01Å; L708-L713 PolarHBondContact O-N 2.61Å; L708-V718 HydrophobicContact CD1-CG2 3.94Å
709	T	97.1	Very high	96.9	Very high	17 Å²	17	17.2 Å²	17.2	10%	0.104	9%	0.089	C	C	.	.	H	α-helix	trans	-70	-44.4	171.1	-58	0	0	0	0	111.3	K588 F595 E705 S706 D707 L711 K712	K588-T709 HydrophobicContact CB-CG2 4.47Å; F595-T709 HydrophobicContact CZ-CG2 4.44Å; E705-T709 WeakPolarHBondContact O-CB 3.46Å; E705-T709 PolarHBondContact O-N 2.82Å; E705-T709 PolarHBondContact O-OG1 2.61Å; S706-T709 PolarHBondContact O-N 3.45Å; D707-T709 VanDerWaalsContact C-N 3.27Å; D707-T709 PolarHBondContact O-N 3.15Å; T709-L711 VanDerWaalsContact C-N 3.35Å; T709-L711 PolarHBondContact O-N 2.86Å; T709-K712 PolarHBondContact O-N 2.93Å; T709-K712 VanDerWaalsContact O-N 3.11Å
710	A	96.8	Very high	96.8	Very high	16 Å²	16	17.2 Å²	17.2	13%	0.132	9%	0.089	C	C	.	.	H	α-helix	trans	-67.9	-32.3	177.5	0	0	0	0	0	113	M627 L636 S706 D707	M627-A710 HydrophobicContact CG-CB 3.89Å; M627-A710 HydrophobicContact SD-CB 3.9Å; L636-A710 HydrophobicContact CB-CB 4.39Å; S706-A710 WeakPolarHBondContact O-CB 3.44Å; S706-A710 PolarHBondContact O-N 3.43Å; D707-A710 PolarHBondContact O-N 2.64Å
711	L	97.4	Very high	96.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.1	172.1	-73.3	165.5	0	0	0	113.7	L623 L636 I639 I685 Q686 L689 D707 T709 L713	L623-L711 HydrophobicContact CD1-CD1 3.91Å; L623-L711 HydrophobicContact CD2-CD1 3.83Å; L636-L711 HydrophobicContact CD1-CD2 4.48Å; L636-L711 HydrophobicContact CD2-CD2 3.44Å; L636-L711 VanDerWaalsContact CD2-CD2 3.44Å; L636-L711 HydrophobicContact CD2-CG 4.28Å; I639-L711 HydrophobicContact CD1-CD1 4.06Å; I639-L711 HydrophobicContact CD1-CD2 3.68Å; I685-L711 HydrophobicContact CG2-CD2 3.9Å; Q686-L711 PolarHBondContact NE2-O 3.43Å; Q686-L711 VanDerWaalsContact NE2-O 3.14Å; L689-L711 HydrophobicContact CD1-CD1 4.13Å; L689-L711 HydrophobicContact CD1-CD2 4Å; D707-L711 WeakPolarHBondContact O-CB 3.24Å; D707-L711 VanDerWaalsContact O-CG 3.3Å; D707-L711 WeakPolarHBondContact O-CG 3.41Å; D707-L711 PolarHBondContact O-N 3.18Å; T709-L711 VanDerWaalsContact C-N 3.35Å; T709-L711 PolarHBondContact O-N 2.86Å; L711-L713 HydrophobicContact CB-CB 4Å; L711-L713 PolarHBondContact O-N 2.97Å
712	K	97.1	Very high	96.7	Very high	48 Å²	48	17.4 Å²	17.4	21%	0.209	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	48	-169.8	-62	-178.6	167.5	-155.1	0	111.5	D591 E593 G594 F595 V596 Q686 L708 T709	D591-K712 IonicContact OD1-NZ 2.85Å; D591-K712 PolarHBondContact OD1-NZ 3.17Å; D591-K712 WeakPolarHBondContact OD2-CE 3.17Å; D591-K712 IonicContact OD2-NZ 2.84Å; D591-K712 PolarHBondContact OD2-NZ 3.38Å; E593-K712 VanDerWaalsContact O-CD 3.31Å; E593-K712 WeakPolarHBondContact O-CD 3.21Å; E593-K712 WeakPolarHBondContact O-CE 3.45Å; E593-K712 PolarHBondContact O-NZ 3.07Å; G594-K712 WeakPolarHBondContact O-CB 3.14Å; F595-K712 VanDerWaalsContact CA-O 3.29Å; F595-K712 WeakPolarHBondContact CA-O 3.46Å; F595-K712 VanDerWaalsContact CD1-C 3.43Å; F595-K712 HydrophobicContact CD1-CB 4.06Å; F595-K712 HydrophobicContact CD2-CB 4.19Å; F595-K712 HydrophobicContact CD2-CG 4.32Å; F595-K712 HydrophobicContact CE1-CB 4.18Å; F595-K712 HydrophobicContact CE1-CG 4.47Å; F595-K712 HydrophobicContact CE2-CB 4.29Å; F595-K712 HydrophobicContact CE2-CG 4.02Å; F595-K712 HydrophobicContact CG-CB 4.07Å; F595-K712 HydrophobicContact CZ-CB 4.29Å; F595-K712 HydrophobicContact CZ-CG 4.1Å; V596-K712 PolarHBondContact N-O 2.92Å; Q686-K712 PolarHBondContact NE2-O 3.16Å; L708-K712 PolarHBondContact O-N 2.98Å; L708-K712 VanDerWaalsContact O-N 3.15Å; T709-K712 PolarHBondContact O-N 2.93Å; T709-K712 VanDerWaalsContact O-N 3.11Å
713	L	97.3	Very high	96.5	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.6	-173.7	178	62.8	0	0	0	111.4	V596 T598 L689 F693 L708 L711	V596-L713 HydrophobicContact CG2-CD1 3.84Å; T598-L713 HydrophobicContact CG2-CD1 4.01Å; L689-L713 HydrophobicContact CD1-CD2 3.79Å; F693-L713 HydrophobicContact CD2-CD2 4.4Å; L708-L713 HydrophobicContact CD2-CB 4.05Å; L708-L713 HydrophobicContact CD2-CD2 3.84Å; L708-L713 HydrophobicContact CD2-CG 4.01Å; L708-L713 PolarHBondContact O-N 2.61Å; L711-L713 HydrophobicContact CB-CB 4Å; L711-L713 PolarHBondContact O-N 2.97Å
714	I	97	Very high	96.4	Very high	6 Å²	6	17.7 Å²	17.7	3%	0.031	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.8	170.9	-58.2	167.9	0	0	0	108.5	P485 E487 A499 F595 V596 I597 T598	P485-I714 HydrophobicContact CB-CG1 4.45Å; E487-I714 HydrophobicContact CG-CG2 4.15Å; A499-I714 HydrophobicContact CB-CD1 4.05Å; A499-I714 HydrophobicContact CB-CG1 4.28Å; F595-I714 HydrophobicContact CB-CD1 4.18Å; F595-I714 HydrophobicContact CB-CG1 4.38Å; F595-I714 HydrophobicContact CD1-CG1 4.11Å; V596-I714 PolarHBondContact O-N 3.38Å; I597-I714 WeakPolarHBondContact CA-O 3.42Å; I597-I714 HydrophobicContact CB-CB 4.12Å; I597-I714 HydrophobicContact CD1-CB 4.46Å; I597-I714 HydrophobicContact CD1-CG2 3.96Å; I597-I714 HydrophobicContact CG1-CB 4.18Å; I597-I714 HydrophobicContact CG1-CG2 4.13Å; T598-I714 PolarHBondContact N-O 3.28Å
715	H	96.5	Very high	96.3	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.023	10%	0.095	C	C	.	.			trans	-148.6	132.8	177	-178.3	72.1	0	0	0	110.9	T598 T697 L699 K717	T598-H715 HydrophobicContact CG2-CB 4.09Å; T598-H715 WeakPolarHBondContact CG2-ND1 3.47Å; T598-H715 PolarHBondContact OG1-ND1 3.03Å; T697-H715 PolarHBondContact O-CE1 3.3Å; T697-H715 PolarHBondContact O-NE2 2.55Å; L699-H715 HydrophobicContact CD1-CB 4.28Å; H715-K717 PolarHBondContact NE2-N 3.4Å; H715-K717 PolarHBondContact NE2-O 3Å
716	K	95.3	Very high	96.1	Very high	79 Å²	79	21.3 Å²	21.3	34%	0.343	12%	0.115	S	C	.	.	S	Bend	trans	-96.2	-22.5	-168.1	-59.5	-164.9	-179.7	-166.4	0	115.1	E476 L479 E487 V718	E476-K716 IonicContact OE1-NZ 2.67Å; E476-K716 PolarHBondContact OE1-NZ 3.02Å; L479-K716 HydrophobicContact CD1-CB 4.36Å; E487-K716 WeakPolarHBondContact OE1-CE 3.42Å; E487-K716 IonicContact OE1-NZ 3.78Å; E487-K716 PolarHBondContact OE1-NZ 3.38Å; K716-V718 PolarHBondContact O-N 3.03Å
717	K	95.7	Very high	95.9	Very high	45 Å²	45	22.8 Å²	22.8	20%	0.196	12%	0.119	C	C	.	.			trans	-96	72.3	-175.1	-84.8	-178.5	175.9	178	0	111.6	Y466 L473 D696 T697 I698 L699 H715	Y466-K717 PolarHBondContact OH-NZ 3.49Å; L473-K717 HydrophobicContact CD1-CG 4.26Å; L473-K717 HydrophobicContact CD2-CB 3.98Å; L473-K717 HydrophobicContact CD2-CG 4.17Å; D696-K717 VanDerWaalsContact O-CD 3.3Å; D696-K717 WeakPolarHBondContact O-CD 3.38Å; D696-K717 PolarHBondContact O-NZ 3.04Å; D696-K717 IonicContact OD1-NZ 2.77Å; D696-K717 PolarHBondContact OD1-NZ 2.78Å; T697-K717 WeakPolarHBondContact O-CB 3.38Å; I698-K717 WeakPolarHBondContact CA-O 3.45Å; I698-K717 HydrophobicContact CG1-CB 4.47Å; L699-K717 PolarHBondContact N-O 3.22Å; H715-K717 PolarHBondContact NE2-N 3.4Å; H715-K717 PolarHBondContact NE2-O 3Å
718	V	97.5	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	142.2	-178.6	-179.2	0	0	0	0	111.6	L473 L474 L479 Y484 L699 L704 L708 K716	L473-V718 WeakPolarHBondContact CA-O 3.45Å; L474-V718 HydrophobicContact CD1-CB 4.23Å; L474-V718 HydrophobicContact CD1-CG1 4.13Å; L474-V718 PolarHBondContact N-O 2.94Å; L479-V718 HydrophobicContact CD2-CB 4.34Å; L479-V718 HydrophobicContact CD2-CG2 4.38Å; Y484-V718 HydrophobicContact CD1-CG2 4.46Å; Y484-V718 HydrophobicContact CE1-CB 4.39Å; Y484-V718 HydrophobicContact CE1-CG1 3.85Å; Y484-V718 HydrophobicContact CE1-CG2 4.17Å; L699-V718 CarbonylContact O-C 3.55Å; L699-V718 WeakPolarHBondContact O-CA 3.49Å; L704-V718 HydrophobicContact CB-CG1 4.4Å; L704-V718 HydrophobicContact CD2-CG1 3.86Å; L704-V718 HydrophobicContact CD2-CG2 4.45Å; L708-V718 HydrophobicContact CD1-CG2 3.94Å; K716-V718 PolarHBondContact O-N 3.03Å
719	V	97.4	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	92	168.4	179.3	0	0	0	0	108.7	L473 I698 L699 I700 G701 V724 V769	L473-V719 HydrophobicContact CD2-CG2 3.92Å; I698-V719 HydrophobicContact CG2-CB 4.45Å; I698-V719 HydrophobicContact CG2-CG2 3.61Å; L699-V719 PolarHBondContact O-N 2.87Å; I700-V719 WeakPolarHBondContact CA-O 3.49Å; I700-V719 HydrophobicContact CG1-CB 4.12Å; G701-V719 PolarHBondContact N-O 2.97Å; V719-V724 HydrophobicContact CG1-CG2 3.91Å; V719-V769 HydrophobicContact CG1-CG2 4.28Å
720	D	97.2	Very high	94.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116.7	178.7	-178.2	5.4	0	0	0	111.4	L474 Y484 H702 S703 S722 I723 V724 K734	L474-D720 HydrophobicContact CD1-CB 4.32Å; Y484-D720 WeakPolarHBondContact OH-CB 3.33Å; H702-D720 WeakPolarHBondContact CA-OD1 3.47Å; S703-D720 PolarHBondContact N-OD1 3.36Å; S703-D720 PolarHBondContact N-OD2 3.39Å; D720-S722 PolarHBondContact O-N 2.97Å; D720-S722 VanDerWaalsContact OD1-CB 3.24Å; D720-S722 WeakPolarHBondContact OD1-CB 3.38Å; D720-S722 PolarHBondContact OD1-N 3.02Å; D720-S722 PolarHBondContact OD1-OG 3.39Å; D720-S722 WeakPolarHBondContact OD2-CB 3.49Å; D720-S722 PolarHBondContact OD2-OG 3.25Å; D720-I723 HydrophobicContact CB-CB 4.35Å; D720-I723 HydrophobicContact CB-CD1 3.98Å; D720-I723 HydrophobicContact CB-CG1 4.14Å; D720-I723 PolarHBondContact O-N 2.86Å; D720-V724 WeakPolarHBondContact O-CG2 3.27Å; D720-V724 PolarHBondContact O-N 3.05Å; D720-K734 IonicContact OD2-NZ 2.62Å; D720-K734 PolarHBondContact OD2-NZ 2.9Å; D720-K734 VanDerWaalsContact OD2-NZ 3.08Å
721	T	96.9	Very high	93.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-26.4	175.3	58.7	0	0	0	0	113.2	I700 G701 H702 I723 F725 C765 L768 V769	I700-T721 HydrophobicContact CG2-CG2 4.47Å; G701-T721 WeakPolarHBondContact O-CB 3.36Å; G701-T721 WeakPolarHBondContact O-CG2 3.38Å; G701-T721 PolarHBondContact O-N 3.16Å; G701-T721 PolarHBondContact O-OG1 2.94Å; H702-T721 WeakPolarHBondContact CB-OG1 3.44Å; H702-T721 PolarHBondContact ND1-OG1 3.09Å; T721-I723 PolarHBondContact O-N 2.85Å; T721-F725 WeakPolarHBondContact O-CD2 3.44Å; T721-F725 PolarHBondContact O-N 3.17Å; T721-F725 VanDerWaalsContact O-N 3.08Å; T721-C765 HydrophobicContact CG2-CB 4.25Å; T721-L768 HydrophobicContact CG2-CB 4.45Å; T721-V769 HydrophobicContact CG2-CG2 3.67Å
722	S	94.9	Very high	92.8	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-26.1	176.3	97.2	0	0	0	0	112.8	D720 K734	D720-S722 PolarHBondContact O-N 2.97Å; D720-S722 VanDerWaalsContact OD1-CB 3.24Å; D720-S722 WeakPolarHBondContact OD1-CB 3.38Å; D720-S722 PolarHBondContact OD1-N 3.02Å; D720-S722 PolarHBondContact OD1-OG 3.39Å; D720-S722 WeakPolarHBondContact OD2-CB 3.49Å; D720-S722 PolarHBondContact OD2-OG 3.25Å; S722-K734 WeakPolarHBondContact OG-CD 3.43Å; S722-K734 WeakPolarHBondContact OG-CE 3.29Å; S722-K734 PolarHBondContact OG-NZ 2.9Å; S722-K734 VanDerWaalsContact OG-NZ 3.16Å
723	I	94	Very high	92.2	Very high	46 Å²	46	53.4 Å²	53.4	24%	0.236	28%	0.275	C	S	.	.	H	α-helix	trans	-94.1	-43.8	178.2	-61	172.8	0	0	0	110.3	L474 N482 D720 T721 F725 P726	L474-I723 HydrophobicContact CD1-CD1 3.85Å; L474-I723 HydrophobicContact CD2-CB 4.28Å; L474-I723 HydrophobicContact CD2-CD1 3.65Å; L474-I723 HydrophobicContact CD2-CG2 3.93Å; L474-I723 HydrophobicContact CG-CD1 4.43Å; N482-I723 HydrophobicContact CB-CD1 4.22Å; N482-I723 VanDerWaalsContact CG-CD1 3.46Å; N482-I723 WeakPolarHBondContact OD1-CD1 3.26Å; D720-I723 HydrophobicContact CB-CB 4.35Å; D720-I723 HydrophobicContact CB-CD1 3.98Å; D720-I723 HydrophobicContact CB-CG1 4.14Å; D720-I723 PolarHBondContact O-N 2.86Å; T721-I723 PolarHBondContact O-N 2.85Å; I723-F725 PolarHBondContact O-N 3.15Å; I723-P726 WeakPolarHBondContact O-CD 3.38Å
724	V	94.3	Very high	91.9	Very high	26 Å²	26	56 Å²	56	16%	0.158	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-30.2	176.4	172.9	0	0	0	0	112.3	Y472 V719 D720 P726 K772	Y472-V724 HydrophobicContact CD1-CG1 3.92Å; Y472-V724 HydrophobicContact CD1-CG2 4.09Å; Y472-V724 HydrophobicContact CE1-CG1 4.19Å; V719-V724 HydrophobicContact CG1-CG2 3.91Å; D720-V724 WeakPolarHBondContact O-CG2 3.27Å; D720-V724 PolarHBondContact O-N 3.05Å; V724-P726 VanDerWaalsContact C-CD 3.49Å; V724-P726 VanDerWaalsContact O-CD 3.27Å; V724-P726 WeakPolarHBondContact O-CD 3.25Å; V724-K772 HydrophobicContact CG1-CG 4Å
725	F	94.5	Very high	91.7	Very high	20 Å²	20	57.4 Å²	57.4	9%	0.088	29%	0.291	C	S	.	.	S	Bend	trans	-115	74	175	-60.2	-77.9	0	0	0	111.6	T721 I723 R735 L740 I744 L768 K772	T721-F725 WeakPolarHBondContact O-CD2 3.44Å; T721-F725 PolarHBondContact O-N 3.17Å; T721-F725 VanDerWaalsContact O-N 3.08Å; I723-F725 PolarHBondContact O-N 3.15Å; F725-R735 WeakPolarHBondContact O-CD 3.23Å; F725-L740 HydrophobicContact CB-CD1 4.13Å; F725-L740 HydrophobicContact CB-CD2 3.43Å; F725-L740 VanDerWaalsContact CB-CD2 3.43Å; F725-L740 HydrophobicContact CB-CG 4.44Å; F725-L740 HydrophobicContact CD2-CD1 4.19Å; F725-L740 HydrophobicContact CD2-CD2 4.45Å; F725-L740 HydrophobicContact CG-CD1 4.48Å; F725-L740 HydrophobicContact CG-CD2 3.99Å; F725-I744 HydrophobicContact CD1-CD1 3.59Å; F725-I744 HydrophobicContact CE1-CD1 3.53Å; F725-I744 HydrophobicContact CG-CD1 4.19Å; F725-I744 HydrophobicContact CZ-CD1 4.08Å; F725-L768 HydrophobicContact CE2-CB 3.89Å; F725-L768 HydrophobicContact CE2-CD2 4.38Å; F725-L768 HydrophobicContact CZ-CB 4.29Å; F725-L768 HydrophobicContact CZ-CD2 4.38Å; F725-K772 HydrophobicContact CE1-CB 4.34Å; F725-K772 HydrophobicContact CE1-CD 4.21Å; F725-K772 HydrophobicContact CE1-CG 4.44Å; F725-K772 HydrophobicContact CZ-CB 3.83Å; F725-K772 HydrophobicContact CZ-CG 4.26Å
726	P	91.7	Very high	91.6	Very high	92 Å²	92	59.3 Å²	59.3	60%	0.597	31%	0.308	S	S	*	.			trans	-65	150.5	-171.1	26.9	-35.1	0	0	0	113	I723 V724	I723-P726 WeakPolarHBondContact O-CD 3.38Å; V724-P726 VanDerWaalsContact C-CD 3.49Å; V724-P726 VanDerWaalsContact O-CD 3.27Å; V724-P726 WeakPolarHBondContact O-CD 3.25Å
727	H	90	Very high	91.6	Very high	62 Å²	62	55.9 Å²	55.9	29%	0.287	29%	0.293	S	S	.	.			trans	-75.2	144.2	176.6	-172.9	-97.6	0	0	0	111.9	L729 G730 K733 R735	H727-L729 PolarHBondContact ND1-N 3.5Å; H727-L729 PolarHBondContact O-N 3.12Å; H727-G730 PolarHBondContact O-N 3.06Å; H727-K733 HydrophobicContact CB-CB 4.35Å; H727-K733 WeakPolarHBondContact CB-O 3.44Å; H727-R735 HydrophobicContact CB-CG 3.92Å
728	R	89.3	Confident	91.6	Very high	204 Å²	204	59.3 Å²	59.3	77%	0.77	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-4.2	-176.2	-55.1	-174.6	-168.1	-176.2	6.1	115.5	E743	R728-E743 IonicContact NH2-OE1 2.61Å; R728-E743 IonicContact NH2-OE2 2.68Å
729	L	87.9	Confident	91.4	Very high	124 Å²	124	63.8 Å²	63.8	65%	0.649	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	6.4	174.8	-56.6	179.6	0	0	0	113	H727 K733	H727-L729 PolarHBondContact ND1-N 3.5Å; H727-L729 PolarHBondContact O-N 3.12Å; L729-K733 HydrophobicContact CB-CD 4.47Å; L729-K733 HydrophobicContact CD1-CD 4.23Å
730	G	84.1	Confident	91.3	Very high	35 Å²	35	63.8 Å²	63.8	36%	0.361	33%	0.329	S	S	.	.			trans	71.6	-178.7	-174.5	0	0	0	0	0	114.8	H727 K733	H727-G730 PolarHBondContact O-N 3.06Å; G730-K733 PolarHBondContact O-N 3.28Å
731	L	79.3	Confident	91.3	Very high	128 Å²	128	63.8 Å²	63.8	67%	0.67	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	152.6	169.7	-65	177.8	0	0	0	110.6	K733	L731-K733 VanDerWaalsContact C-N 3.31Å
732	P	80	Confident	91.2	Very high	128 Å²	128	66.9 Å²	66.9	83%	0.831	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.3	19.5	4.3	35.8	-37.8	0	0	0	114.2	K734	P732-K734 PolarHBondContact O-N 3.2Å
733	K	85.1	Confident	91.2	Very high	117 Å²	117	71.9 Å²	71.9	51%	0.509	37%	0.374	S	S	.	.			trans	-89.2	102.8	179.5	-66.4	176.5	-179	172.7	0	110.4	H727 L729 G730 L731	H727-K733 HydrophobicContact CB-CB 4.35Å; H727-K733 WeakPolarHBondContact CB-O 3.44Å; L729-K733 HydrophobicContact CB-CD 4.47Å; L729-K733 HydrophobicContact CD1-CD 4.23Å; G730-K733 PolarHBondContact O-N 3.28Å; L731-K733 VanDerWaalsContact C-N 3.31Å
734	K	91.1	Very high	91.2	Very high	56 Å²	56	71.2 Å²	71.2	24%	0.243	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-73.7	154.4	162.9	-70.7	178.4	167.1	-159.6	0	110.2	S703 E705 D720 S722 P732	S703-K734 WeakPolarHBondContact OG-CD 3.27Å; S703-K734 PolarHBondContact OG-NZ 3.08Å; E705-K734 IonicContact OE1-NZ 3.83Å; E705-K734 PolarHBondContact OE1-NZ 3.25Å; E705-K734 IonicContact OE2-NZ 2.84Å; E705-K734 PolarHBondContact OE2-NZ 3.15Å; D720-K734 IonicContact OD2-NZ 2.62Å; D720-K734 PolarHBondContact OD2-NZ 2.9Å; D720-K734 VanDerWaalsContact OD2-NZ 3.08Å; S722-K734 WeakPolarHBondContact OG-CD 3.43Å; S722-K734 WeakPolarHBondContact OG-CE 3.29Å; S722-K734 PolarHBondContact OG-NZ 2.9Å; S722-K734 VanDerWaalsContact OG-NZ 3.16Å; P732-K734 PolarHBondContact O-N 3.2Å
735	R	93.2	Very high	91.2	Very high	35 Å²	35	71.5 Å²	71.5	13%	0.132	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-89.3	130.2	171.3	-71.2	175.2	74.9	177.7	1.3	108.5	H702 F725 H727 L740 E743	H702-R735 PolarHBondContact CE1-O 2.75Å; H702-R735 PolarHBondContact NE2-O 2.85Å; F725-R735 WeakPolarHBondContact O-CD 3.23Å; H727-R735 HydrophobicContact CB-CG 3.92Å; R735-L740 HydrophobicContact CB-CD2 3.92Å; R735-L740 HydrophobicContact CB-CG 4.14Å; R735-L740 HydrophobicContact CG-CD2 4.44Å; R735-L740 VanDerWaalsContact CZ-CD2 3.46Å; R735-E743 IonicContact CZ-OE1 3.2Å; R735-E743 IonicContact NH1-OE1 3.66Å; R735-E743 IonicContact NH2-OE1 2.61Å; R735-E743 PolarHBondContact NH2-OE1 2.86Å; R735-E743 IonicContact NH2-OE2 2.91Å; R735-E743 PolarHBondContact NH2-OE2 3.24Å
736	A	93.5	Very high	91.2	Very high	45 Å²	45	78.7 Å²	78.7	37%	0.372	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-67.4	141.4	176.9	0	0	0	0	0	112.7	R738 N739 L740	A736-R738 PolarHBondContact O-N 2.8Å; A736-N739 WeakPolarHBondContact O-CA 3.37Å; A736-N739 WeakPolarHBondContact O-CB 3.3Å; A736-N739 PolarHBondContact O-N 3.12Å; A736-L740 PolarHBondContact O-N 2.84Å
737	L	96.2	Very high	91.3	Very high	7 Å²	7	77.9 Å²	77.9	4%	0.037	39%	0.393	C	S	.	.	H	α-helix	trans	-48.6	-54.4	-175.9	-174.1	56.5	0	0	0	113.9	H702 N739 L740 V741 I749 D761 A764 L768	H702-L737 HydrophobicContact CB-CD1 4.38Å; H702-L737 HydrophobicContact CB-CD2 4.27Å; H702-L737 PolarHBondContact NE2-N 3.09Å; H702-L737 VanDerWaalsContact NE2-N 3.19Å; L737-N739 PolarHBondContact O-N 3.2Å; L737-L740 WeakPolarHBondContact O-CA 3.22Å; L737-L740 VanDerWaalsContact O-CB 3.3Å; L737-L740 WeakPolarHBondContact O-CB 3.12Å; L737-L740 PolarHBondContact O-N 3.32Å; L737-V741 HydrophobicContact CD1-CG2 4.11Å; L737-V741 HydrophobicContact CG-CG2 4.3Å; L737-V741 WeakPolarHBondContact O-CG2 2.92Å; L737-V741 PolarHBondContact O-N 2.89Å; L737-I749 HydrophobicContact CD2-CD1 4.5Å; L737-I749 HydrophobicContact CG-CD1 4.11Å; L737-D761 HydrophobicContact CD2-CB 3.64Å; L737-D761 WeakPolarHBondContact CD2-OD1 3.44Å; L737-A764 HydrophobicContact CD1-CB 4.47Å; L737-A764 HydrophobicContact CD2-CB 4.46Å; L737-L768 HydrophobicContact CD1-CD1 3.54Å
738	R	94.4	Very high	91.4	Very high	117 Å²	117	80.8 Å²	80.8	44%	0.442	41%	0.409	S	S	.	.	H	α-helix	trans	-53.5	-30.3	176.3	62.3	172.4	178.8	-111.6	11.8	115.1	A736 S742 I749	A736-R738 PolarHBondContact O-N 2.8Å; R738-S742 VanDerWaalsContact O-CB 3.24Å; R738-S742 WeakPolarHBondContact O-CB 3.19Å; R738-S742 PolarHBondContact O-N 2.53Å; R738-I749 HydrophobicContact CB-CD1 4.13Å; R738-I749 HydrophobicContact CB-CG1 3.8Å
739	N	94.5	Very high	91.5	Very high	93 Å²	93	71.5 Å²	71.5	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-78.5	-28.7	176.1	-63.8	-0.9	0	0	0	112.1	A736 L737 E743	A736-N739 WeakPolarHBondContact O-CA 3.37Å; A736-N739 WeakPolarHBondContact O-CB 3.3Å; A736-N739 PolarHBondContact O-N 3.12Å; L737-N739 PolarHBondContact O-N 3.2Å; N739-E743 VanDerWaalsContact O-CB 3.3Å; N739-E743 WeakPolarHBondContact O-CB 3.41Å; N739-E743 PolarHBondContact O-N 2.9Å
740	L	95.8	Very high	91.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.4	-50.6	171.2	-65.7	174.9	0	0	0	110.3	F725 R735 A736 L737 S742 E743 I744 L768	F725-L740 HydrophobicContact CB-CD1 4.13Å; F725-L740 HydrophobicContact CB-CD2 3.43Å; F725-L740 VanDerWaalsContact CB-CD2 3.43Å; F725-L740 HydrophobicContact CB-CG 4.44Å; F725-L740 HydrophobicContact CD2-CD1 4.19Å; F725-L740 HydrophobicContact CD2-CD2 4.45Å; F725-L740 HydrophobicContact CG-CD1 4.48Å; F725-L740 HydrophobicContact CG-CD2 3.99Å; R735-L740 HydrophobicContact CB-CD2 3.92Å; R735-L740 HydrophobicContact CB-CG 4.14Å; R735-L740 HydrophobicContact CG-CD2 4.44Å; R735-L740 VanDerWaalsContact CZ-CD2 3.46Å; A736-L740 PolarHBondContact O-N 2.84Å; L737-L740 WeakPolarHBondContact O-CA 3.22Å; L737-L740 VanDerWaalsContact O-CB 3.3Å; L737-L740 WeakPolarHBondContact O-CB 3.12Å; L737-L740 PolarHBondContact O-N 3.32Å; L740-S742 PolarHBondContact O-N 3.11Å; L740-E743 PolarHBondContact O-N 3.39Å; L740-I744 HydrophobicContact CB-CD1 4.43Å; L740-I744 HydrophobicContact CD2-CD1 4.23Å; L740-I744 VanDerWaalsContact O-CB 3.28Å; L740-I744 WeakPolarHBondContact O-CB 3.27Å; L740-I744 WeakPolarHBondContact O-CG1 3.16Å; L740-I744 PolarHBondContact O-N 2.89Å; L740-L768 HydrophobicContact CB-CD1 3.7Å; L740-L768 HydrophobicContact CB-CD2 4.15Å; L740-L768 HydrophobicContact CD1-CD1 4.21Å
741	V	96.6	Very high	91.5	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-58.8	-46.1	-179.6	175	0	0	0	0	111.2	L737 L745 Q746 Q747 I749 A764 L768	L737-V741 HydrophobicContact CD1-CG2 4.11Å; L737-V741 HydrophobicContact CG-CG2 4.3Å; L737-V741 WeakPolarHBondContact O-CG2 2.92Å; L737-V741 PolarHBondContact O-N 2.89Å; V741-L745 HydrophobicContact CG1-CB 4.42Å; V741-L745 HydrophobicContact CG1-CD1 4.36Å; V741-L745 CarbonylContact O-C 3.54Å; V741-L745 WeakPolarHBondContact O-CA 3.44Å; V741-L745 WeakPolarHBondContact O-CB 3.44Å; V741-L745 PolarHBondContact O-N 2.88Å; V741-Q746 PolarHBondContact O-N 3.23Å; V741-Q747 HydrophobicContact CG1-CB 3.68Å; V741-I749 HydrophobicContact CB-CD1 4.12Å; V741-I749 HydrophobicContact CB-CG1 4.16Å; V741-I749 HydrophobicContact CG1-CD1 4.33Å; V741-I749 HydrophobicContact CG1-CG1 4.06Å; V741-I749 HydrophobicContact CG1-CG2 3.9Å; V741-I749 HydrophobicContact CG2-CD1 3.75Å; V741-I749 HydrophobicContact CG2-CG1 4.34Å; V741-A764 HydrophobicContact CG2-CB 3.69Å; V741-L768 HydrophobicContact CG2-CD1 3.9Å; V741-L768 HydrophobicContact CG2-CG 4.31Å
742	S	95.4	Very high	91.7	Very high	66 Å²	66	71 Å²	71	46%	0.462	36%	0.36	S	S	.	.	H	α-helix	trans	-68.1	-35.8	177.9	-169.7	0	0	0	0	113.8	R738 L740 Q747	R738-S742 VanDerWaalsContact O-CB 3.24Å; R738-S742 WeakPolarHBondContact O-CB 3.19Å; R738-S742 PolarHBondContact O-N 2.53Å; L740-S742 PolarHBondContact O-N 3.11Å; S742-Q747 VanDerWaalsContact CA-O 3.23Å; S742-Q747 WeakPolarHBondContact CA-O 3.38Å
743	E	94.4	Very high	91.6	Very high	108 Å²	108	74.4 Å²	74.4	51%	0.505	37%	0.365	S	S	.	.	H	α-helix	trans	-77.6	-34.3	178.6	-169	177.7	110	0	0	113	R728 R735 N739 L740	R728-E743 IonicContact NH2-OE1 2.61Å; R728-E743 IonicContact NH2-OE2 2.68Å; R735-E743 IonicContact CZ-OE1 3.2Å; R735-E743 IonicContact NH1-OE1 3.66Å; R735-E743 IonicContact NH2-OE1 2.61Å; R735-E743 PolarHBondContact NH2-OE1 2.86Å; R735-E743 IonicContact NH2-OE2 2.91Å; R735-E743 PolarHBondContact NH2-OE2 3.24Å; N739-E743 VanDerWaalsContact O-CB 3.3Å; N739-E743 WeakPolarHBondContact O-CB 3.41Å; N739-E743 PolarHBondContact O-N 2.9Å; L740-E743 PolarHBondContact O-N 3.39Å
744	I	94.2	Very high	91.4	Very high	33 Å²	33	74.9 Å²	74.9	17%	0.169	37%	0.373	C	S	.	.	H	α-helix	trans	-105.8	-49.5	-167.8	-59.2	168.2	0	0	0	112.1	F725 L740 L768	F725-I744 HydrophobicContact CD1-CD1 3.59Å; F725-I744 HydrophobicContact CE1-CD1 3.53Å; F725-I744 HydrophobicContact CG-CD1 4.19Å; F725-I744 HydrophobicContact CZ-CD1 4.08Å; L740-I744 HydrophobicContact CB-CD1 4.43Å; L740-I744 HydrophobicContact CD2-CD1 4.23Å; L740-I744 VanDerWaalsContact O-CB 3.28Å; L740-I744 WeakPolarHBondContact O-CB 3.27Å; L740-I744 WeakPolarHBondContact O-CG1 3.16Å; L740-I744 PolarHBondContact O-N 2.89Å; I744-L768 HydrophobicContact CB-CD2 3.92Å; I744-L768 HydrophobicContact CD1-CD2 3.91Å; I744-L768 HydrophobicContact CG1-CD2 4.49Å; I744-L768 HydrophobicContact CG2-CD2 4.05Å
745	L	94.3	Very high	91.2	Very high	31 Å²	31	72.5 Å²	72.5	16%	0.162	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.1	-178.6	-54.4	-178.2	0	0	0	112.7	V741 Q747 Q767 L768 H771	V741-L745 HydrophobicContact CG1-CB 4.42Å; V741-L745 HydrophobicContact CG1-CD1 4.36Å; V741-L745 CarbonylContact O-C 3.54Å; V741-L745 WeakPolarHBondContact O-CA 3.44Å; V741-L745 WeakPolarHBondContact O-CB 3.44Å; V741-L745 PolarHBondContact O-N 2.88Å; L745-Q747 HydrophobicContact CB-CB 4.44Å; L745-Q747 HydrophobicContact CB-CG 4.2Å; L745-Q747 VanDerWaalsContact CD1-OE1 3.31Å; L745-Q747 PolarHBondContact O-N 3.03Å; L745-Q767 HydrophobicContact CD1-CB 3.65Å; L745-L768 HydrophobicContact CD1-CD2 4.13Å; L745-L768 HydrophobicContact CD1-CG 4Å; L745-L768 HydrophobicContact CD2-CD2 4.4Å; L745-L768 HydrophobicContact CG-CD2 3.92Å; L745-L768 HydrophobicContact CG-CG 4.36Å; L745-H771 HydrophobicContact CD2-CB 3.81Å
746	Q	93.7	Very high	91	Very high	172 Å²	172	73.4 Å²	73.4	80%	0.804	37%	0.37	S	S	*	.			trans	60	22.4	-176.2	-54.7	178.5	18.4	0	0	113.5	V741	V741-Q746 PolarHBondContact O-N 3.23Å
747	Q	93.5	Very high	91	Very high	75 Å²	75	74 Å²	74	35%	0.35	37%	0.367	S	S	.	.			trans	-94.9	165.1	173.9	-68.5	160.2	-17.8	0	0	110.2	V741 S742 L745	V741-Q747 HydrophobicContact CG1-CB 3.68Å; S742-Q747 VanDerWaalsContact CA-O 3.23Å; S742-Q747 WeakPolarHBondContact CA-O 3.38Å; L745-Q747 HydrophobicContact CB-CB 4.44Å; L745-Q747 HydrophobicContact CB-CG 4.2Å; L745-Q747 VanDerWaalsContact CD1-OE1 3.31Å; L745-Q747 PolarHBondContact O-N 3.03Å
748	I	92.2	Very high	90.9	Very high	122 Å²	122	73.7 Å²	73.7	63%	0.626	37%	0.366	S	S	*	.			trans	-124.8	128.9	171.7	-46.7	179.5	0	0	0	106.5	Q751	I748-Q751 HydrophobicContact CB-CG 4.49Å; I748-Q751 HydrophobicContact CG2-CG 3.5Å; I748-Q751 VanDerWaalsContact CG2-CG 3.5Å
749	I	91.7	Very high	91	Very high	10 Å²	10	70.9 Å²	70.9	5%	0.051	36%	0.358	C	S	.	.			trans	-129.4	171.4	-177.8	58.7	156.8	0	0	0	109.1	L737 R738 V741 Q751 E760 D761 A764	L737-I749 HydrophobicContact CD2-CD1 4.5Å; L737-I749 HydrophobicContact CG-CD1 4.11Å; R738-I749 HydrophobicContact CB-CD1 4.13Å; R738-I749 HydrophobicContact CB-CG1 3.8Å; V741-I749 HydrophobicContact CB-CD1 4.12Å; V741-I749 HydrophobicContact CB-CG1 4.16Å; V741-I749 HydrophobicContact CG1-CD1 4.33Å; V741-I749 HydrophobicContact CG1-CG1 4.06Å; V741-I749 HydrophobicContact CG1-CG2 3.9Å; V741-I749 HydrophobicContact CG2-CD1 3.75Å; V741-I749 HydrophobicContact CG2-CG1 4.34Å; I749-Q751 VanDerWaalsContact C-N 3.34Å; I749-Q751 PolarHBondContact O-N 3.35Å; I749-Q751 PolarHBondContact O-NE2 3.33Å; I749-E760 VanDerWaalsContact CB-CD 3.43Å; I749-E760 HydrophobicContact CB-CG 3.96Å; I749-E760 WeakPolarHBondContact CB-OE2 3.39Å; I749-E760 HydrophobicContact CG2-CG 3.76Å; I749-E760 WeakPolarHBondContact CG2-OE1 3.44Å; I749-D761 WeakPolarHBondContact CD1-OD1 3.47Å; I749-A764 HydrophobicContact CD1-CB 4.19Å
750	Q	87.7	Confident	91	Very high	26 Å²	26	69.7 Å²	69.7	12%	0.121	35%	0.349	C	S	.	.			trans	53.6	48	177.8	-56.5	172.5	-2	0	0	112.1	H756 E760 D761	Q750-H756 PolarHBondContact NE2-CE1 3.41Å; Q750-H756 PolarHBondContact NE2-ND1 3.38Å; Q750-H756 PolarHBondContact OE1-CE1 3.32Å; Q750-E760 PolarHBondContact N-OE2 3.41Å; Q750-D761 PolarHBondContact NE2-OD1 2.88Å; Q750-D761 PolarHBondContact NE2-OD2 3.22Å
751	Q	84.6	Confident	91.1	Very high	132 Å²	132	70 Å²	70	62%	0.617	35%	0.351	S	S	*	.			trans	-103.9	-13.3	179.3	-61.2	-55.1	-82.6	0	0	114	I748 I749	I748-Q751 HydrophobicContact CB-CG 4.49Å; I748-Q751 HydrophobicContact CG2-CG 3.5Å; I748-Q751 VanDerWaalsContact CG2-CG 3.5Å; I749-Q751 VanDerWaalsContact C-N 3.34Å; I749-Q751 PolarHBondContact O-N 3.35Å; I749-Q751 PolarHBondContact O-NE2 3.33Å
752	D	83.3	Confident	91.1	Very high	118 Å²	118	70 Å²	70	63%	0.631	35%	0.351	S	S	*	.			trans	-72.4	134.3	-175.5	-70.4	-17.6	0	0	0	111.4	N754 G755	D752-N754 PolarHBondContact O-N 3.37Å; D752-N754 VanDerWaalsContact O-N 3.15Å; D752-G755 PolarHBondContact O-N 2.84Å
753	E	78.9	Confident	91.2	Very high	200 Å²	200	69 Å²	69	94%	0.935	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-16.2	-179.2	-59.4	-168.6	145.4	0	0	113
754	N	80.6	Confident	91.4	Very high	126 Å²	126	64 Å²	64	67%	0.674	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-24.8	-178.6	-63.8	-38	0	0	0	113.6	S665 D752	S665-N754 CarbonylContact C-O 3.55Å; D752-N754 PolarHBondContact O-N 3.37Å; D752-N754 VanDerWaalsContact O-N 3.15Å
755	G	86.7	Confident	91.5	Very high	7 Å²	7	62.4 Å²	62.4	7%	0.072	31%	0.309	C	S	.	.			trans	141.7	-167	-174.8	0	0	0	0	0	113.1	S665 D752	S665-G755 VanDerWaalsContact O-CA 3.3Å; S665-G755 WeakPolarHBondContact O-CA 3.33Å; D752-G755 PolarHBondContact O-N 2.84Å
756	H	89.4	Confident	91.6	Very high	53 Å²	53	61 Å²	61	25%	0.245	30%	0.302	C	S	.	.			trans	-82	-178.4	169.5	-63.3	-160.3	0	0	0	110.9	F667 Q750 D761	F667-H756 WeakPolarHBondContact O-CB 3.45Å; F667-H756 PolarHBondContact O-CD2 3.33Å; F667-H756 VanDerWaalsContact O-CG 3.22Å; F667-H756 PolarHBondContact O-N 3.15Å; Q750-H756 PolarHBondContact NE2-CE1 3.41Å; Q750-H756 PolarHBondContact NE2-ND1 3.38Å; Q750-H756 PolarHBondContact OE1-CE1 3.32Å; H756-D761 IonicContact ND1-OD2 3.5Å; H756-D761 PolarHBondContact ND1-OD2 3.17Å
757	N	93.1	Very high	91.7	Very high	59 Å²	59	55 Å²	55	32%	0.316	27%	0.274	S	S	.	.			trans	-146.7	107	172.5	179.3	5.6	0	0	0	108.5	R638 M759 E760 D761	R638-N757 PolarHBondContact NH1-OD1 3.15Å; R638-N757 PolarHBondContact NH2-OD1 2.84Å; N757-M759 PolarHBondContact O-N 2.98Å; N757-M759 PolarHBondContact OD1-N 3.35Å; N757-E760 HydrophobicContact CB-CB 4.42Å; N757-E760 WeakPolarHBondContact O-CA 3.36Å; N757-E760 WeakPolarHBondContact O-CB 3.4Å; N757-E760 PolarHBondContact O-N 3.4Å; N757-D761 PolarHBondContact O-N 2.9Å
758	S	94.7	Very high	91.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-44.5	-29.8	175.9	52	0	0	0	0	115.5	D624 E626 R638 T640 A762	D624-S758 VanDerWaalsContact OD2-CA 3.29Å; D624-S758 WeakPolarHBondContact OD2-CA 3.33Å; D624-S758 VanDerWaalsContact OD2-CB 3.32Å; D624-S758 WeakPolarHBondContact OD2-CB 3.33Å; E626-S758 PolarHBondContact OE1-N 3.47Å; R638-S758 PolarHBondContact NH1-OG 3.38Å; T640-S758 WeakPolarHBondContact OG1-CB 3.42Å; T640-S758 PolarHBondContact OG1-OG 3.3Å; S758-A762 WeakPolarHBondContact O-CB 3.34Å; S758-A762 PolarHBondContact O-N 3.26Å
759	M	95.3	Very high	92	Very high	57 Å²	57	45.8 Å²	45.8	28%	0.281	23%	0.228	S	C	.	.	H	α-helix	trans	-68.2	-39.4	173.3	-166.7	-173.7	-61.4	0	0	113.1	T640 V648 D651 N757 I763	T640-M759 HydrophobicContact CG2-CB 3.98Å; T640-M759 HydrophobicContact CG2-CG 4.16Å; V648-M759 HydrophobicContact CG2-CE 3.91Å; V648-M759 HydrophobicContact CG2-CG 4.04Å; V648-M759 HydrophobicContact CG2-SD 3.84Å; D651-M759 HydrophobicContact CB-CE 4.44Å; D651-M759 WeakPolarHBondContact OD2-CE 3.37Å; N757-M759 PolarHBondContact O-N 2.98Å; N757-M759 PolarHBondContact OD1-N 3.35Å; M759-I763 HydrophobicContact CG-CD1 4.06Å; M759-I763 WeakPolarHBondContact O-CB 3.32Å; M759-I763 WeakPolarHBondContact O-CD1 3.47Å; M759-I763 WeakPolarHBondContact O-CG1 3.49Å; M759-I763 PolarHBondContact O-N 3.34Å
760	E	95.9	Very high	92.1	Very high	68 Å²	68	46 Å²	46	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-67	-46.7	174.3	-177.6	176.3	-123.9	0	0	110.4	I749 Q750 N757 I763 A764	I749-E760 VanDerWaalsContact CB-CD 3.43Å; I749-E760 HydrophobicContact CB-CG 3.96Å; I749-E760 WeakPolarHBondContact CB-OE2 3.39Å; I749-E760 HydrophobicContact CG2-CG 3.76Å; I749-E760 WeakPolarHBondContact CG2-OE1 3.44Å; Q750-E760 PolarHBondContact N-OE2 3.41Å; N757-E760 HydrophobicContact CB-CB 4.42Å; N757-E760 WeakPolarHBondContact O-CA 3.36Å; N757-E760 WeakPolarHBondContact O-CB 3.4Å; N757-E760 PolarHBondContact O-N 3.4Å; E760-I763 PolarHBondContact O-N 3.01Å; E760-A764 VanDerWaalsContact O-CB 3.3Å; E760-A764 WeakPolarHBondContact O-CB 3.37Å; E760-A764 PolarHBondContact O-N 2.83Å
761	D	96.9	Very high	92.4	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-69.2	-39.4	-176.3	-80.8	-16.3	0	0	0	112	L737 I749 Q750 H756 N757 A764 C765	L737-D761 HydrophobicContact CD2-CB 3.64Å; L737-D761 WeakPolarHBondContact CD2-OD1 3.44Å; I749-D761 WeakPolarHBondContact CD1-OD1 3.47Å; Q750-D761 PolarHBondContact NE2-OD1 2.88Å; Q750-D761 PolarHBondContact NE2-OD2 3.22Å; H756-D761 IonicContact ND1-OD2 3.5Å; H756-D761 PolarHBondContact ND1-OD2 3.17Å; N757-D761 PolarHBondContact O-N 2.9Å; D761-A764 PolarHBondContact O-N 2.85Å; D761-C765 PolarHBondContact O-N 2.95Å; D761-C765 PolarHBondContact O-SG 3.02Å
762	A	97.4	Very high	92.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-44.4	171.3	0	0	0	0	0	112.6	A622 D624 I642 S758 C765 M766	A622-A762 WeakPolarHBondContact CB-O 3.36Å; D624-A762 HydrophobicContact CB-CB 3.89Å; I642-A762 HydrophobicContact CD1-CB 4.35Å; I642-A762 WeakPolarHBondContact CD1-O 3.45Å; I642-A762 HydrophobicContact CG1-CB 4.42Å; I642-A762 HydrophobicContact CG2-CB 4.47Å; S758-A762 WeakPolarHBondContact O-CB 3.34Å; S758-A762 PolarHBondContact O-N 3.26Å; A762-C765 PolarHBondContact O-N 3.49Å; A762-M766 PolarHBondContact O-N 3.2Å
763	I	97.1	Very high	93.2	Very high	44 Å²	44	37.6 Å²	37.6	23%	0.226	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-43	176.9	-72.8	172.5	0	0	0	110.6	I642 L646 M759 E760 C765 M766 Q767	I642-I763 VanDerWaalsContact CD1-CA 3.44Å; I642-I763 HydrophobicContact CD1-CB 4.16Å; I642-I763 HydrophobicContact CD1-CG1 3.61Å; I642-I763 HydrophobicContact CG2-CG1 4.23Å; L646-I763 HydrophobicContact CD2-CG2 4.49Å; M759-I763 HydrophobicContact CG-CD1 4.06Å; M759-I763 WeakPolarHBondContact O-CB 3.32Å; M759-I763 WeakPolarHBondContact O-CD1 3.47Å; M759-I763 WeakPolarHBondContact O-CG1 3.49Å; M759-I763 PolarHBondContact O-N 3.34Å; E760-I763 PolarHBondContact O-N 3.01Å; I763-C765 PolarHBondContact O-N 2.99Å; I763-M766 PolarHBondContact O-N 3.31Å; I763-Q767 HydrophobicContact CG2-CG 4.41Å; I763-Q767 WeakPolarHBondContact O-CB 3.46Å; I763-Q767 WeakPolarHBondContact O-CG 3.47Å; I763-Q767 PolarHBondContact O-N 2.94Å
764	A	97.4	Very high	93.8	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-42	174.8	0	0	0	0	0	112.4	L737 V741 I749 E760 D761 Q767 L768	L737-A764 HydrophobicContact CD1-CB 4.47Å; L737-A764 HydrophobicContact CD2-CB 4.46Å; V741-A764 HydrophobicContact CG2-CB 3.69Å; I749-A764 HydrophobicContact CD1-CB 4.19Å; E760-A764 VanDerWaalsContact O-CB 3.3Å; E760-A764 WeakPolarHBondContact O-CB 3.37Å; E760-A764 PolarHBondContact O-N 2.83Å; D761-A764 PolarHBondContact O-N 2.85Å; A764-Q767 PolarHBondContact O-N 3Å; A764-L768 WeakPolarHBondContact O-CB 3.09Å; A764-L768 WeakPolarHBondContact O-CG 3.24Å; A764-L768 PolarHBondContact O-N 3.02Å
765	C	97.5	Very high	94.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-48.5	176.8	-69.9	0	0	0	0	112.2	I700 T721 D761 A762 I763 L768 V769	I700-C765 HydrophobicContact CG2-CB 4.06Å; T721-C765 HydrophobicContact CG2-CB 4.25Å; D761-C765 PolarHBondContact O-N 2.95Å; D761-C765 PolarHBondContact O-SG 3.02Å; A762-C765 PolarHBondContact O-N 3.49Å; I763-C765 PolarHBondContact O-N 2.99Å; C765-L768 PolarHBondContact O-N 2.75Å; C765-V769 WeakPolarHBondContact O-CG2 3.11Å; C765-V769 PolarHBondContact O-N 2.7Å; C765-V769 VanDerWaalsContact O-N 3.07Å
766	M	96.4	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-46.1	175.6	-176.6	64.1	73.3	0	0	111.3	L465 V620 A622 I642 L646 I700 A762 I763 L768 V769 Q770	L465-M766 HydrophobicContact CD2-SD 4.19Å; V620-M766 HydrophobicContact CG1-CE 4.33Å; A622-M766 HydrophobicContact CB-CB 3.98Å; A622-M766 HydrophobicContact CB-CE 3.96Å; I642-M766 HydrophobicContact CD1-CB 3.84Å; I642-M766 HydrophobicContact CD1-CG 4.48Å; L646-M766 HydrophobicContact CD2-CB 3.75Å; L646-M766 HydrophobicContact CD2-CG 3.47Å; L646-M766 VanDerWaalsContact CD2-CG 3.47Å; I700-M766 HydrophobicContact CD1-CE 3.8Å; I700-M766 HydrophobicContact CD1-SD 3.76Å; A762-M766 PolarHBondContact O-N 3.2Å; I763-M766 PolarHBondContact O-N 3.31Å; M766-L768 VanDerWaalsContact C-N 3.34Å; M766-L768 PolarHBondContact O-N 3.36Å; M766-V769 PolarHBondContact O-N 3.49Å; M766-Q770 HydrophobicContact CG-CG 4.32Å; M766-Q770 WeakPolarHBondContact O-CB 3.33Å; M766-Q770 VanDerWaalsContact O-CG 3.26Å; M766-Q770 WeakPolarHBondContact O-CG 3.25Å; M766-Q770 PolarHBondContact O-N 2.99Å; M766-Q770 HydrophobicContact SD-CG 4.25Å
767	Q	96	Very high	94.1	Very high	48 Å²	48	25.9 Å²	25.9	22%	0.224	13%	0.126	C	C	.	.	H	α-helix	trans	-62.1	-37.6	178	-73.3	-175.8	32.8	0	0	112.9	L646 L745 I763 A764 H771	L646-Q767 HydrophobicContact CD1-CG 3.94Å; L646-Q767 HydrophobicContact CD2-CG 4.16Å; L745-Q767 HydrophobicContact CD1-CB 3.65Å; I763-Q767 HydrophobicContact CG2-CG 4.41Å; I763-Q767 WeakPolarHBondContact O-CB 3.46Å; I763-Q767 WeakPolarHBondContact O-CG 3.47Å; I763-Q767 PolarHBondContact O-N 2.94Å; A764-Q767 PolarHBondContact O-N 3Å; Q767-H771 VanDerWaalsContact O-CB 3.32Å; Q767-H771 WeakPolarHBondContact O-CB 3.5Å; Q767-H771 PolarHBondContact O-N 3.25Å
768	L	96.7	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-46.5	175.1	-81.4	172	0	0	0	111.9	T721 F725 L737 L740 V741 I744 L745 A764 C765 M766 H771 K772	T721-L768 HydrophobicContact CG2-CB 4.45Å; F725-L768 HydrophobicContact CE2-CB 3.89Å; F725-L768 HydrophobicContact CE2-CD2 4.38Å; F725-L768 HydrophobicContact CZ-CB 4.29Å; F725-L768 HydrophobicContact CZ-CD2 4.38Å; L737-L768 HydrophobicContact CD1-CD1 3.54Å; L740-L768 HydrophobicContact CB-CD1 3.7Å; L740-L768 HydrophobicContact CB-CD2 4.15Å; L740-L768 HydrophobicContact CD1-CD1 4.21Å; V741-L768 HydrophobicContact CG2-CD1 3.9Å; V741-L768 HydrophobicContact CG2-CG 4.31Å; I744-L768 HydrophobicContact CB-CD2 3.92Å; I744-L768 HydrophobicContact CD1-CD2 3.91Å; I744-L768 HydrophobicContact CG1-CD2 4.49Å; I744-L768 HydrophobicContact CG2-CD2 4.05Å; L745-L768 HydrophobicContact CD1-CD2 4.13Å; L745-L768 HydrophobicContact CD1-CG 4Å; L745-L768 HydrophobicContact CD2-CD2 4.4Å; L745-L768 HydrophobicContact CG-CD2 3.92Å; L745-L768 HydrophobicContact CG-CG 4.36Å; A764-L768 WeakPolarHBondContact O-CB 3.09Å; A764-L768 WeakPolarHBondContact O-CG 3.24Å; A764-L768 PolarHBondContact O-N 3.02Å; C765-L768 PolarHBondContact O-N 2.75Å; M766-L768 VanDerWaalsContact C-N 3.34Å; M766-L768 PolarHBondContact O-N 3.36Å; L768-H771 PolarHBondContact O-N 3.34Å; L768-K772 WeakPolarHBondContact O-CB 3.3Å; L768-K772 PolarHBondContact O-N 3.13Å
769	V	95.3	Very high	93.1	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-44.2	176.4	171.3	0	0	0	0	111.1	L469 I700 V719 T721 C765 M766 H771 K772 V773	L469-V769 HydrophobicContact CD1-CG1 4.36Å; L469-V769 HydrophobicContact CD2-CG1 3.31Å; L469-V769 HydrophobicContact CG-CG1 4.46Å; I700-V769 HydrophobicContact CD1-CB 4.31Å; I700-V769 HydrophobicContact CD1-CG1 3.98Å; I700-V769 HydrophobicContact CD1-CG2 4.44Å; I700-V769 HydrophobicContact CG1-CG2 4.44Å; I700-V769 HydrophobicContact CG2-CB 4.44Å; I700-V769 HydrophobicContact CG2-CG2 3.68Å; V719-V769 HydrophobicContact CG1-CG2 4.28Å; T721-V769 HydrophobicContact CG2-CG2 3.67Å; C765-V769 WeakPolarHBondContact O-CG2 3.11Å; C765-V769 PolarHBondContact O-N 2.7Å; C765-V769 VanDerWaalsContact O-N 3.07Å; M766-V769 PolarHBondContact O-N 3.49Å; V769-H771 PolarHBondContact O-N 2.97Å; V769-K772 WeakPolarHBondContact O-CB 3.44Å; V769-K772 PolarHBondContact O-N 2.85Å; V769-K772 VanDerWaalsContact O-N 3.12Å; V769-V773 PolarHBondContact O-N 3.45Å
770	Q	93.9	Very high	91.9	Very high	13 Å²	13	35.6 Å²	35.6	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-45.3	175.3	-74.8	-173.2	3.8	0	0	111.9	V460 S644 M766 K772 V773 K774	V460-Q770 VanDerWaalsContact CG1-CA 3.48Å; V460-Q770 HydrophobicContact CG1-CB 3.34Å; V460-Q770 HydrophobicContact CG1-CG 3.48Å; V460-Q770 VanDerWaalsContact CG1-CG 3.48Å; V460-Q770 WeakPolarHBondContact CG1-O 3.48Å; S644-Q770 PolarHBondContact O-NE2 2.95Å; M766-Q770 HydrophobicContact CG-CG 4.32Å; M766-Q770 WeakPolarHBondContact O-CB 3.33Å; M766-Q770 VanDerWaalsContact O-CG 3.26Å; M766-Q770 WeakPolarHBondContact O-CG 3.25Å; M766-Q770 PolarHBondContact O-N 2.99Å; M766-Q770 HydrophobicContact SD-CG 4.25Å; Q770-K772 VanDerWaalsContact C-N 3.3Å; Q770-K772 PolarHBondContact O-N 3.06Å; Q770-V773 PolarHBondContact O-N 2.96Å; Q770-K774 WeakPolarHBondContact O-CB 3.28Å; Q770-K774 PolarHBondContact O-N 3.12Å
771	H	93.3	Very high	90	Very high	66 Å²	66	39 Å²	39	31%	0.306	19%	0.19	S	C	.	.	H	α-helix	trans	-59.3	-41.6	173.9	-169.6	119.5	0	0	0	111.4	L745 Q767 L768 V769 K774 E775	L745-H771 HydrophobicContact CD2-CB 3.81Å; Q767-H771 VanDerWaalsContact O-CB 3.32Å; Q767-H771 WeakPolarHBondContact O-CB 3.5Å; Q767-H771 PolarHBondContact O-N 3.25Å; L768-H771 PolarHBondContact O-N 3.34Å; V769-H771 PolarHBondContact O-N 2.97Å; H771-K774 PolarHBondContact O-N 3.49Å; H771-E775 WeakPolarHBondContact O-CB 3.45Å; H771-E775 PolarHBondContact O-N 2.98Å
772	K	93.1	Very high	87.7	Confident	34 Å²	34	42.7 Å²	42.7	15%	0.148	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-48	-179.9	-177.1	50.1	175.1	156.7	0	112.5	Y472 V724 F725 L768 V769 Q770 K774 E775 D776	Y472-K772 HydrophobicContact CE1-CG 3.81Å; V724-K772 HydrophobicContact CG1-CG 4Å; F725-K772 HydrophobicContact CE1-CB 4.34Å; F725-K772 HydrophobicContact CE1-CD 4.21Å; F725-K772 HydrophobicContact CE1-CG 4.44Å; F725-K772 HydrophobicContact CZ-CB 3.83Å; F725-K772 HydrophobicContact CZ-CG 4.26Å; L768-K772 WeakPolarHBondContact O-CB 3.3Å; L768-K772 PolarHBondContact O-N 3.13Å; V769-K772 WeakPolarHBondContact O-CB 3.44Å; V769-K772 PolarHBondContact O-N 2.85Å; V769-K772 VanDerWaalsContact O-N 3.12Å; Q770-K772 VanDerWaalsContact C-N 3.3Å; Q770-K772 PolarHBondContact O-N 3.06Å; K772-K774 VanDerWaalsContact C-N 3.34Å; K772-K774 PolarHBondContact O-N 3.49Å; K772-E775 IonicContact NZ-OE2 3.92Å; K772-E775 WeakPolarHBondContact O-CB 3.48Å; K772-E775 PolarHBondContact O-N 3.03Å; K772-D776 VanDerWaalsContact CE-OD2 3.27Å; K772-D776 WeakPolarHBondContact CE-OD2 3.49Å; K772-D776 IonicContact NZ-OD1 3.66Å; K772-D776 IonicContact NZ-OD2 2.69Å; K772-D776 PolarHBondContact NZ-OD2 3.35Å; K772-D776 PolarHBondContact O-N 2.87Å; K772-D776 VanDerWaalsContact O-N 3.07Å
773	V	92.1	Very high	85	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-45.5	174.1	175.7	0	0	0	0	110.3	V460 L465 Q468 L469 Y472 V769 Q770 E775 D776 L777	V460-V773 HydrophobicContact CG2-CB 4.37Å; V460-V773 HydrophobicContact CG2-CG1 3.92Å; L465-V773 HydrophobicContact CD1-CG2 4.21Å; Q468-V773 HydrophobicContact CB-CG1 3.57Å; Q468-V773 HydrophobicContact CB-CG2 4.25Å; Q468-V773 HydrophobicContact CG-CG1 3.82Å; L469-V773 HydrophobicContact CD2-CG2 3.82Å; Y472-V773 HydrophobicContact CE2-CG2 4.19Å; V769-V773 PolarHBondContact O-N 3.45Å; Q770-V773 PolarHBondContact O-N 2.96Å; V773-E775 VanDerWaalsContact C-N 3.29Å; V773-E775 PolarHBondContact O-N 3.39Å; V773-D776 PolarHBondContact O-N 2.87Å; V773-L777 HydrophobicContact CG1-CD1 3.81Å; V773-L777 HydrophobicContact CG1-CG 4.26Å; V773-L777 WeakPolarHBondContact O-CB 3.46Å; V773-L777 VanDerWaalsContact O-CG 3.31Å; V773-L777 WeakPolarHBondContact O-CG 3.45Å; V773-L777 PolarHBondContact O-N 3.04Å
774	K	90.3	Very high	82.1	Confident	15 Å²	15	57.5 Å²	57.5	7%	0.065	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-36.8	176.3	-157.3	173.9	-160.9	-177.6	0	112.4	E453 L456 D457 V460 Q770 H771 K772 R778	E453-K774 WeakPolarHBondContact O-CE 3.5Å; E453-K774 PolarHBondContact O-NZ 3.02Å; E453-K774 WeakPolarHBondContact OE1-CE 3.39Å; E453-K774 IonicContact OE1-NZ 2.68Å; E453-K774 PolarHBondContact OE1-NZ 3.06Å; L456-K774 HydrophobicContact CB-CD 4.31Å; L456-K774 HydrophobicContact CB-CG 4.08Å; L456-K774 HydrophobicContact CD1-CG 4.31Å; D457-K774 IonicContact OD1-NZ 3.81Å; D457-K774 PolarHBondContact OD1-NZ 3.06Å; V460-K774 HydrophobicContact CG2-CB 4.39Å; Q770-K774 WeakPolarHBondContact O-CB 3.28Å; Q770-K774 PolarHBondContact O-N 3.12Å; H771-K774 PolarHBondContact O-N 3.49Å; K772-K774 VanDerWaalsContact C-N 3.34Å; K772-K774 PolarHBondContact O-N 3.49Å; K774-R778 WeakPolarHBondContact O-CB 3.44Å; K774-R778 VanDerWaalsContact O-CD 3.27Å; K774-R778 WeakPolarHBondContact O-CD 3.4Å; K774-R778 WeakPolarHBondContact O-CG 3.48Å; K774-R778 PolarHBondContact O-N 2.83Å; K774-R778 VanDerWaalsContact O-N 3.17Å
775	E	89.6	Confident	78.9	Confident	63 Å²	63	66 Å²	66	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-68.7	-46.8	177.9	-165	-165.2	-152.5	0	0	112.7	H771 K772 V773 R778 R779	H771-E775 WeakPolarHBondContact O-CB 3.45Å; H771-E775 PolarHBondContact O-N 2.98Å; K772-E775 IonicContact NZ-OE2 3.92Å; K772-E775 WeakPolarHBondContact O-CB 3.48Å; K772-E775 PolarHBondContact O-N 3.03Å; V773-E775 VanDerWaalsContact C-N 3.29Å; V773-E775 PolarHBondContact O-N 3.39Å; E775-R778 WeakPolarHBondContact O-CB 3.36Å; E775-R778 PolarHBondContact O-N 2.82Å; E775-R779 WeakPolarHBondContact O-CG 3.29Å; E775-R779 PolarHBondContact O-N 3.27Å; E775-R779 VanDerWaalsContact O-N 3.13Å; E775-R779 IonicContact OE1-CZ 3.82Å; E775-R779 IonicContact OE1-NH1 2.79Å; E775-R779 PolarHBondContact OE1-NH1 3.13Å; E775-R779 IonicContact OE1-NH2 3.06Å; E775-R779 PolarHBondContact OE1-NH2 3.41Å; E775-R779 IonicContact OE2-CZ 3.56Å; E775-R779 IonicContact OE2-NH1 3.57Å; E775-R779 PolarHBondContact OE2-NH1 3.43Å; E775-R779 IonicContact OE2-NH2 2.76Å
776	D	88.1	Confident	78	Confident	11 Å²	11	69.3 Å²	69.3	6%	0.059	35%	0.35	C	S	.	.	H	α-helix	trans	-80.8	-26.7	-177.1	-73.8	-28.9	0	0	0	113	Y472 K772 V773 R779 G780 K781 W782	Y472-D776 PolarHBondContact OH-OD2 3.2Å; K772-D776 VanDerWaalsContact CE-OD2 3.27Å; K772-D776 WeakPolarHBondContact CE-OD2 3.49Å; K772-D776 IonicContact NZ-OD1 3.66Å; K772-D776 IonicContact NZ-OD2 2.69Å; K772-D776 PolarHBondContact NZ-OD2 3.35Å; K772-D776 PolarHBondContact O-N 2.87Å; K772-D776 VanDerWaalsContact O-N 3.07Å; V773-D776 PolarHBondContact O-N 2.87Å; D776-R779 PolarHBondContact O-N 3.41Å; D776-R779 WeakPolarHBondContact OD1-CD 3.41Å; D776-R779 IonicContact OD1-CZ 3.26Å; D776-R779 IonicContact OD1-NH1 3.55Å; D776-R779 PolarHBondContact OD1-NH1 3.33Å; D776-G780 PolarHBondContact O-N 2.91Å; D776-K781 HydrophobicContact CB-CB 4.17Å; D776-K781 PolarHBondContact O-N 3.39Å; D776-W782 HydrophobicContact CB-CZ2 4.46Å
777	L	85.4	Confident	77	Confident	50 Å²	50	72.9 Å²	72.9	26%	0.262	37%	0.368	S	S	.	.	H	α-helix	trans	-57.6	-48.7	161.9	-77	172	0	0	0	111.1	L456 V460 V773 R779 G780	L456-L777 HydrophobicContact CD2-CB 4.05Å; L456-L777 HydrophobicContact CD2-CD1 4Å; V460-L777 HydrophobicContact CG2-CD1 4.15Å; V773-L777 HydrophobicContact CG1-CD1 3.81Å; V773-L777 HydrophobicContact CG1-CG 4.26Å; V773-L777 WeakPolarHBondContact O-CB 3.46Å; V773-L777 VanDerWaalsContact O-CG 3.31Å; V773-L777 WeakPolarHBondContact O-CG 3.45Å; V773-L777 PolarHBondContact O-N 3.04Å; L777-R779 PolarHBondContact O-N 3.15Å; L777-G780 PolarHBondContact O-N 3.16Å
778	R	84.4	Confident	76	Confident	126 Å²	126	74.3 Å²	74.3	48%	0.475	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-25	175.9	-78.6	166.2	166.5	154.4	-6.4	113.7	E453 L456 K774 E775	E453-R778 IonicContact OE1-CZ 3.38Å; E453-R778 IonicContact OE1-NH2 3.38Å; E453-R778 PolarHBondContact OE1-NH2 2.86Å; E453-R778 IonicContact OE2-NH2 3.74Å; E453-R778 PolarHBondContact OE2-NH2 3.34Å; L456-R778 HydrophobicContact CD1-CG 3.96Å; K774-R778 WeakPolarHBondContact O-CB 3.44Å; K774-R778 VanDerWaalsContact O-CD 3.27Å; K774-R778 WeakPolarHBondContact O-CD 3.4Å; K774-R778 WeakPolarHBondContact O-CG 3.48Å; K774-R778 PolarHBondContact O-N 2.83Å; K774-R778 VanDerWaalsContact O-N 3.17Å; E775-R778 WeakPolarHBondContact O-CB 3.36Å; E775-R778 PolarHBondContact O-N 2.82Å
779	R	82.3	Confident	74.7	Confident	127 Å²	127	78.7 Å²	78.7	48%	0.479	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.1	175.2	-73.7	176.5	175.9	130.7	9.3	114	E775 D776 L777 K781	E775-R779 WeakPolarHBondContact O-CG 3.29Å; E775-R779 PolarHBondContact O-N 3.27Å; E775-R779 VanDerWaalsContact O-N 3.13Å; E775-R779 IonicContact OE1-CZ 3.82Å; E775-R779 IonicContact OE1-NH1 2.79Å; E775-R779 PolarHBondContact OE1-NH1 3.13Å; E775-R779 IonicContact OE1-NH2 3.06Å; E775-R779 PolarHBondContact OE1-NH2 3.41Å; E775-R779 IonicContact OE2-CZ 3.56Å; E775-R779 IonicContact OE2-NH1 3.57Å; E775-R779 PolarHBondContact OE2-NH1 3.43Å; E775-R779 IonicContact OE2-NH2 2.76Å; D776-R779 PolarHBondContact O-N 3.41Å; D776-R779 WeakPolarHBondContact OD1-CD 3.41Å; D776-R779 IonicContact OD1-CZ 3.26Å; D776-R779 IonicContact OD1-NH1 3.55Å; D776-R779 PolarHBondContact OD1-NH1 3.33Å; L777-R779 PolarHBondContact O-N 3.15Å; R779-K781 HydrophobicContact CB-CB 4.13Å; R779-K781 HydrophobicContact CB-CD 4.38Å; R779-K781 HydrophobicContact CB-CG 4.01Å; R779-K781 PolarHBondContact O-N 3.25Å
780	G	71.2	Confident	73.5	Confident	68 Å²	68	83.4 Å²	83.4	70%	0.701	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	29.1	-171.5	0	0	0	0	0	112.7	D776 L777 W782	D776-G780 PolarHBondContact O-N 2.91Å; L777-G780 PolarHBondContact O-N 3.16Å; G780-W782 VanDerWaalsContact C-N 3.25Å; G780-W782 PolarHBondContact O-N 3.04Å
781	K	55.8	Low	72.1	Confident	139 Å²	139	88.1 Å²	88.1	60%	0.604	45%	0.446	S	S	*	.			trans	-86.8	24.1	-169.4	-102.4	-164.3	173.6	-161.3	0	114.7	D776 R779	D776-K781 HydrophobicContact CB-CB 4.17Å; D776-K781 PolarHBondContact O-N 3.39Å; R779-K781 HydrophobicContact CB-CB 4.13Å; R779-K781 HydrophobicContact CB-CD 4.38Å; R779-K781 HydrophobicContact CB-CG 4.01Å; R779-K781 PolarHBondContact O-N 3.25Å
782	W	49.7	Very low	70.6	Confident	86 Å²	86	89.7 Å²	89.7	33%	0.326	46%	0.456	S	S	.	.			trans	-127	123.7	-179	-66.4	109.4	0	0	0	111.6	S471 Y472 D776 G780	S471-W782 WeakPolarHBondContact OG-CH2 3.42Å; S471-W782 WeakPolarHBondContact OG-CZ3 3.39Å; Y472-W782 HydrophobicContact CE2-CH2 4.37Å; Y472-W782 AromaticContact CE2-CZ2 3.98Å; Y472-W782 HydrophobicContact CE2-CZ2 3.98Å; Y472-W782 AromaticContact CZ-CZ2 4Å; D776-W782 HydrophobicContact CB-CZ2 4.46Å; G780-W782 VanDerWaalsContact C-N 3.25Å; G780-W782 PolarHBondContact O-N 3.04Å
783	N	40.6	Very low	68.9	Low	148 Å²	148	94 Å²	94	79%	0.791	48%	0.48	S	S	*	.			trans	-72.6	130.5	162.2	-64.9	-27.1	0	0	0	107.4	S785	N783-S785 PolarHBondContact O-N 3.1Å
784	F	35	Very low	66.9	Low	207 Å²	207	101.8 Å²	101.8	91%	0.908	52%	0.519	S	S	*	.			trans	-70.1	125.3	157.4	-75.4	-93.1	0	0	0	107.5
785	S	30.9	Very low	64.8	Low	181 Å²	181	109.6 Å²	109.6	100%	1.266	56%	0.561	S	S	*	*			trans	-134.7	0	176.4	-62.4	0	0	0	0	108.2	N783	N783-S785 PolarHBondContact O-N 3.1Å

Retrieved 785 of 785 residues in 142.3 ms (Link to these results)

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