H2QCS0_PANTR Loading...

Transcriptional adapter

Component of the ATAC complex, a complex with histone acetyltransferase activity on histones H3 and H4. Required for the function of some acidic activation domains, which activate transcription from a distant site. Binds double-stranded DNA. Binds dinucleosomes, probably at the linker region between neighboring nucleosomes. Plays a role in chromatin remodeling. May promote TP53/p53 'Lys-321' acetylation, leading to reduced TP53 stability and transcriptional activity. May also promote XRCC6 acetylation thus facilitating cell apoptosis in response to DNA damage.

AlphaFold DB , UniProt , Accession H2QCS0, Species PANTR (Pan troglodytes, Chimpanzee), Gene TADA2A, Length 443 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	39.5	Very low	236 Å²	236	124.7 Å²	124.7	100%	1.163	66%	0.655	S	S	*	*				0	77.4	0	-80.7	179	176.9	0	0	105.3
2	D	28.9	Very low	40.2	Very low	159 Å²	159	122.1 Å²	122.1	85%	0.85	66%	0.655	S	S	*	*			trans	-79.2	122.3	-178.5	-60.3	-53.9	0	0	0	107.1	L4	D2-L4 PolarHBondContact O-N 3.41Å; D2-L4 VanDerWaalsContact O-N 3.12Å
3	R	32.3	Very low	41.6	Very low	245 Å²	245	122.4 Å²	122.4	93%	0.925	66%	0.656	S	S	*	*			trans	-63.9	111.7	172.6	-70.5	-179.6	177.5	-175.3	-2.8	106.6	G5	R3-G5 PolarHBondContact O-N 3.1Å; R3-G5 VanDerWaalsContact O-N 3.08Å
4	L	36.1	Very low	43.6	Very low	162 Å²	162	118.1 Å²	118.1	85%	0.848	63%	0.629	S	S	*	*			trans	-55.9	113.8	163.7	-72.3	161.3	0	0	0	106.1	D2	D2-L4 PolarHBondContact O-N 3.41Å; D2-L4 VanDerWaalsContact O-N 3.12Å
5	G	35.1	Very low	46	Very low	61 Å²	61	112.6 Å²	112.6	63%	0.629	60%	0.602	S	S	*	*			trans	-63.6	149.2	174.3	0	0	0	0	0	109.7	R3 F7	R3-G5 PolarHBondContact O-N 3.1Å; R3-G5 VanDerWaalsContact O-N 3.08Å; G5-F7 PolarHBondContact O-N 2.88Å
6	S	37.9	Very low	48.7	Very low	41 Å²	41	109.2 Å²	109.2	29%	0.287	59%	0.588	S	S	.	*			trans	-59.3	134.7	176.1	91.2	0	0	0	0	109.1	S8 N9	S6-S8 PolarHBondContact O-N 3.12Å; S6-S8 PolarHBondContact OG-OG 3.41Å; S6-S8 VanDerWaalsContact OG-OG 3.07Å; S6-N9 PolarHBondContact O-N 2.89Å
7	F	44.6	Very low	51.2	Low	153 Å²	153	102.8 Å²	102.8	67%	0.671	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-3.1	-175.5	-81.8	-85.9	0	0	0	114.1	G5	G5-F7 PolarHBondContact O-N 2.88Å
8	S	45.5	Very low	53.4	Low	43 Å²	43	103.5 Å²	103.5	30%	0.301	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	2.3	-176.6	35.9	0	0	0	0	114.8	S6 E85	S6-S8 PolarHBondContact O-N 3.12Å; S6-S8 PolarHBondContact OG-OG 3.41Å; S6-S8 VanDerWaalsContact OG-OG 3.07Å; S8-E85 VanDerWaalsContact CB-OE2 3.23Å; S8-E85 WeakPolarHBondContact CB-OE2 3.5Å; S8-E85 PolarHBondContact OG-OE2 3.43Å
9	N	45.6	Very low	55.2	Low	119 Å²	119	99.4 Å²	99.4	64%	0.636	53%	0.533	S	S	*	.			trans	-110.3	17.6	177.1	-94.4	-33.4	0	0	0	114.5	S6 P11	S6-N9 PolarHBondContact O-N 2.89Å; N9-P11 VanDerWaalsContact O-CD 3.3Å; N9-P11 WeakPolarHBondContact O-CD 3.46Å
10	D	46.3	Very low	56.9	Low	83 Å²	83	97.6 Å²	97.6	44%	0.444	53%	0.527	S	S	.	.			trans	-68.7	119.9	168.4	-160.7	-28.8	0	0	0	108.9	S12 D13	D10-S12 PolarHBondContact O-N 3.49Å; D10-S12 VanDerWaalsContact OD1-CB 3.25Å; D10-S12 WeakPolarHBondContact OD1-CB 3.4Å; D10-S12 PolarHBondContact OD1-N 2.8Å; D10-S12 VanDerWaalsContact OD1-N 3.1Å; D10-S12 PolarHBondContact OD1-OG 2.71Å; D10-D13 PolarHBondContact O-N 2.97Å
11	P	48.3	Very low	58.4	Low	70 Å²	70	97.6 Å²	97.6	46%	0.455	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-55.5	-19.5	175.2	-22.6	32.7	0	0	0	113.2	N9 D13 Y23	N9-P11 VanDerWaalsContact O-CD 3.3Å; N9-P11 WeakPolarHBondContact O-CD 3.46Å; P11-D13 VanDerWaalsContact C-N 3.34Å; P11-D13 PolarHBondContact O-N 2.66Å; P11-Y23 HydrophobicContact CB-CE1 4.24Å; P11-Y23 HydrophobicContact CB-CE2 4.34Å; P11-Y23 VanDerWaalsContact O-CD1 3.27Å; P11-Y23 WeakPolarHBondContact O-CD1 3.42Å; P11-Y23 WeakPolarHBondContact O-CE1 3.26Å
12	S	48.3	Very low	61	Low	93 Å²	93	88.8 Å²	88.8	65%	0.65	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-70.9	-23.2	-176.8	-47.5	0	0	0	0	114.1	D10	D10-S12 PolarHBondContact O-N 3.49Å; D10-S12 VanDerWaalsContact OD1-CB 3.25Å; D10-S12 WeakPolarHBondContact OD1-CB 3.4Å; D10-S12 PolarHBondContact OD1-N 2.8Å; D10-S12 VanDerWaalsContact OD1-N 3.1Å; D10-S12 PolarHBondContact OD1-OG 2.71Å
13	D	58.3	Low	63.8	Low	126 Å²	126	88 Å²	88	67%	0.674	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-88.7	-12.1	-178.8	-76.9	-27.5	0	0	0	113.7	D10 P11	D10-D13 PolarHBondContact O-N 2.97Å; P11-D13 VanDerWaalsContact C-N 3.34Å; P11-D13 PolarHBondContact O-N 2.66Å
14	K	69.6	Low	66.4	Low	62 Å²	62	76.6 Å²	76.6	27%	0.27	44%	0.44	S	S	.	.	S	Bend	trans	-89.4	121.7	-178.4	-66.5	-179.5	-177	174.3	0	110.5	Y23 M25	K14-Y23 HydrophobicContact CB-CD1 4.43Å; K14-M25 HydrophobicContact CD-SD 4.17Å
15	P	80.1	Confident	68.6	Low	36 Å²	36	74.9 Å²	74.9	23%	0.234	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-61.4	138.7	-178.7	22.8	-31.1	0	0	0	110.9	L24 Y28 F40	P15-L24 HydrophobicContact CB-CD1 4.4Å; P15-L24 HydrophobicContact CG-CD1 4.23Å; P15-L24 VanDerWaalsContact O-CB 3.25Å; P15-L24 WeakPolarHBondContact O-CB 3.23Å; P15-L24 WeakPolarHBondContact O-CD1 3.45Å; P15-L24 WeakPolarHBondContact O-CG 3.41Å; P15-L24 PolarHBondContact O-N 3.44Å; P15-L24 VanDerWaalsContact O-N 3.12Å; P15-Y28 HydrophobicContact CG-CE2 4.43Å; P15-F40 HydrophobicContact CB-CD2 3.62Å; P15-F40 HydrophobicContact CB-CE2 3.87Å; P15-F40 HydrophobicContact CB-CG 4.45Å; P15-F40 HydrophobicContact CG-CD2 4.19Å; P15-F40 HydrophobicContact CG-CE2 4.3Å
16	P	89.6	Confident	71	Confident	58 Å²	58	76 Å²	76	38%	0.377	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-77.9	144.7	176.9	30.2	-33.9	0	0	0	111.4	R18	P16-R18 PolarHBondContact O-N 3.45Å
17	C	91.1	Very high	73.4	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.007	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-61.6	127.5	169.6	-179.6	0	0	0	0	110.1	G19 C20 S21 S22 L24 C42 C45	C17-G19 PolarHBondContact O-N 3.17Å; C17-G19 PolarHBondContact SG-N 2.93Å; C17-G19 VanDerWaalsContact SG-N 3.37Å; C17-C20 PolarHBondContact SG-SG 3.45Å; C17-S21 WeakPolarHBondContact O-CA 3.34Å; C17-S21 PolarHBondContact O-N 3.42Å; C17-S22 WeakPolarHBondContact CB-O 3.45Å; C17-S22 PolarHBondContact N-O 3.18Å; C17-L24 HydrophobicContact CB-CD2 3.67Å; C17-L24 HydrophobicContact CB-CG 4.26Å; C17-C42 HydrophobicContact CB-CB 4.3Å; C17-C42 PolarHBondContact SG-N 3.19Å; C17-C45 VanDerWaalsContact SG-SG 3.68Å
18	R	89.4	Confident	75.6	Confident	115 Å²	115	70.7 Å²	70.7	43%	0.434	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.1	176.9	-65.3	-61.5	-172.1	-160.9	-2.5	113.9	P16 F39 F40 L41	P16-R18 PolarHBondContact O-N 3.45Å; R18-F39 HydrophobicContact CB-CD1 4.38Å; R18-F39 HydrophobicContact CB-CD2 4.19Å; R18-F39 HydrophobicContact CB-CE1 3.93Å; R18-F39 HydrophobicContact CB-CE2 3.71Å; R18-F39 HydrophobicContact CB-CG 4.5Å; R18-F39 HydrophobicContact CB-CZ 3.57Å; R18-F39 HydrophobicContact CG-CD1 4.41Å; R18-F39 HydrophobicContact CG-CD2 3.9Å; R18-F39 HydrophobicContact CG-CE1 4.43Å; R18-F39 HydrophobicContact CG-CE2 3.93Å; R18-F39 HydrophobicContact CG-CG 4.15Å; R18-F39 HydrophobicContact CG-CZ 4.21Å; R18-F40 PolarHBondContact N-O 3.39Å; R18-L41 HydrophobicContact CB-CD2 4.42Å
19	G	87.5	Confident	77.8	Confident	26 Å²	26	69 Å²	69	27%	0.268	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-46.2	179.4	0	0	0	0	0	115.1	C17 F50	C17-G19 PolarHBondContact O-N 3.17Å; C17-G19 PolarHBondContact SG-N 2.93Å; C17-G19 VanDerWaalsContact SG-N 3.37Å; G19-F50 VanDerWaalsContact CA-CE1 3.46Å; G19-F50 VanDerWaalsContact CA-CZ 3.42Å
20	C	90.1	Very high	80.1	Confident	63 Å²	63	66.4 Å²	66.4	43%	0.426	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	2.2	-174.1	59.6	0	0	0	0	114.2	C17 S22 C42 C45	C17-C20 PolarHBondContact SG-SG 3.45Å; C20-S22 PolarHBondContact O-N 3.39Å; C20-S22 PolarHBondContact SG-OG 3.16Å; C20-C42 VanDerWaalsContact SG-SG 3.62Å; C20-C45 VanDerWaalsContact SG-SG 3.6Å
21	S	88.4	Confident	82.3	Confident	97 Å²	97	62.8 Å²	62.8	68%	0.678	35%	0.346	S	S	*	.			trans	58	10.8	-179.1	-54.4	0	0	0	0	115.3	C17	C17-S21 WeakPolarHBondContact O-CA 3.34Å; C17-S21 PolarHBondContact O-N 3.42Å
22	S	87.9	Confident	84.3	Confident	52 Å²	52	62 Å²	62	36%	0.364	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-75.4	148.7	173.3	65.9	0	0	0	0	110.4	C17 C20 L24	C17-S22 WeakPolarHBondContact CB-O 3.45Å; C17-S22 PolarHBondContact N-O 3.18Å; C20-S22 PolarHBondContact O-N 3.39Å; C20-S22 PolarHBondContact SG-OG 3.16Å; S22-L24 PolarHBondContact O-N 3.17Å
23	Y	87.6	Confident	86.3	Confident	142 Å²	142	62.7 Å²	62.7	56%	0.557	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-58.9	134.1	170.6	-61.7	-73.2	0	0	0	110.7	P11 K14	P11-Y23 HydrophobicContact CB-CE1 4.24Å; P11-Y23 HydrophobicContact CB-CE2 4.34Å; P11-Y23 VanDerWaalsContact O-CD1 3.27Å; P11-Y23 WeakPolarHBondContact O-CD1 3.42Å; P11-Y23 WeakPolarHBondContact O-CE1 3.26Å; K14-Y23 HydrophobicContact CB-CD1 4.43Å
24	L	86.9	Confident	87.8	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.031	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-79.8	130.2	178.2	-65.6	172.2	0	0	0	110	P15 C17 S22 Y28 F40 C42	P15-L24 HydrophobicContact CB-CD1 4.4Å; P15-L24 HydrophobicContact CG-CD1 4.23Å; P15-L24 VanDerWaalsContact O-CB 3.25Å; P15-L24 WeakPolarHBondContact O-CB 3.23Å; P15-L24 WeakPolarHBondContact O-CD1 3.45Å; P15-L24 WeakPolarHBondContact O-CG 3.41Å; P15-L24 PolarHBondContact O-N 3.44Å; P15-L24 VanDerWaalsContact O-N 3.12Å; C17-L24 HydrophobicContact CB-CD2 3.67Å; C17-L24 HydrophobicContact CB-CG 4.26Å; S22-L24 PolarHBondContact O-N 3.17Å; L24-Y28 HydrophobicContact CB-CD1 3.99Å; L24-Y28 HydrophobicContact CB-CD2 4.45Å; L24-Y28 HydrophobicContact CB-CG 3.94Å; L24-Y28 HydrophobicContact CD1-CD2 3.74Å; L24-Y28 HydrophobicContact CD1-CE2 4.25Å; L24-Y28 HydrophobicContact CD1-CG 4.02Å; L24-Y28 HydrophobicContact CG-CG 4.38Å; L24-F40 HydrophobicContact CD1-CB 3.33Å; L24-F40 HydrophobicContact CD1-CG 4.21Å; L24-C42 HydrophobicContact CD2-CB 3.64Å; L24-C42 VanDerWaalsContact CD2-N 3.34Å
25	M	82.8	Confident	88.4	Confident	126 Å²	126	57.4 Å²	57.4	62%	0.621	33%	0.328	S	S	*	.			trans	-108.2	137.3	166.6	-65.1	-68.4	-67.6	0	0	106.4	K14 P27	K14-M25 HydrophobicContact CD-SD 4.17Å; M25-P27 CarbonylContact O-C 3.47Å
26	E	84.2	Confident	88.4	Confident	85 Å²	85	62 Å²	62	40%	0.397	36%	0.358	S	S	.	.	S	Bend	trans	-61.2	141.4	172.4	-67.3	-174.5	-177.8	0	0	110.2	Y28 S66	E26-Y28 HydrophobicContact CG-CD1 3.84Å; E26-Y28 HydrophobicContact CG-CE1 3.65Å; E26-S66 PolarHBondContact OE1-OG 3.1Å; E26-S66 WeakPolarHBondContact OE2-CB 3.48Å; E26-S66 PolarHBondContact OE2-N 3.4Å; E26-S66 PolarHBondContact OE2-OG 2.96Å
27	P	88.6	Confident	88	Confident	54 Å²	54	63.7 Å²	63.7	35%	0.351	37%	0.368	S	S	.	.	S	Bend	cis	-79.2	138.7	-2.3	32.7	-37.1	0	0	0	113.8	M25 L43 I63 M64 T65	M25-P27 CarbonylContact O-C 3.47Å; P27-L43 HydrophobicContact CG-CD1 4.04Å; P27-I63 HydrophobicContact CB-CG2 4.31Å; P27-M64 WeakPolarHBondContact CA-O 3.45Å; P27-T65 HydrophobicContact CB-CG2 3.48Å; P27-T65 VanDerWaalsContact CB-CG2 3.48Å
28	Y	91.5	Very high	87.8	Confident	28 Å²	28	66.6 Å²	66.6	11%	0.11	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	169.2	173.4	66.5	-91.3	0	0	0	112	P15 L24 E26 F40 M64	P15-Y28 HydrophobicContact CG-CE2 4.43Å; L24-Y28 HydrophobicContact CB-CD1 3.99Å; L24-Y28 HydrophobicContact CB-CD2 4.45Å; L24-Y28 HydrophobicContact CB-CG 3.94Å; L24-Y28 HydrophobicContact CD1-CD2 3.74Å; L24-Y28 HydrophobicContact CD1-CE2 4.25Å; L24-Y28 HydrophobicContact CD1-CG 4.02Å; L24-Y28 HydrophobicContact CG-CG 4.38Å; E26-Y28 HydrophobicContact CG-CD1 3.84Å; E26-Y28 HydrophobicContact CG-CE1 3.65Å; Y28-F40 HydrophobicContact CD2-CB 4.41Å; Y28-F40 HydrophobicContact CD2-CD1 4.19Å; Y28-F40 AromaticContact CE2-CD1 3.73Å; Y28-F40 HydrophobicContact CE2-CD1 3.73Å; Y28-F40 HydrophobicContact CE2-CE1 4.09Å; Y28-F40 HydrophobicContact CE2-CG 4.25Å; Y28-M64 HydrophobicContact CD1-CB 4.23Å; Y28-M64 HydrophobicContact CD2-CB 4.06Å; Y28-M64 HydrophobicContact CD2-CG 4.07Å; Y28-M64 HydrophobicContact CE1-CB 3.92Å; Y28-M64 HydrophobicContact CE2-CB 3.75Å; Y28-M64 HydrophobicContact CE2-CG 3.6Å; Y28-M64 HydrophobicContact CG-CB 4.29Å; Y28-M64 PolarHBondContact N-O 3.29Å; Y28-M64 PolarHBondContact O-N 2.75Å
29	I	92.3	Very high	87.8	Confident	7 Å²	7	62 Å²	62	4%	0.036	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.9	-170.1	-66.4	170.3	0	0	0	110.4	F40 L41 L43 F46 Y61	I29-F40 CarbonylContact O-C 3.53Å; I29-F40 VanDerWaalsContact O-CA 3.29Å; I29-F40 WeakPolarHBondContact O-CA 3.22Å; I29-L41 PolarHBondContact N-O 3.42Å; I29-L41 PolarHBondContact O-N 3.35Å; I29-L43 HydrophobicContact CD1-CD2 3.83Å; I29-L43 HydrophobicContact CG1-CD2 4.08Å; I29-F46 HydrophobicContact CB-CD2 4.39Å; I29-F46 HydrophobicContact CD1-CB 3.51Å; I29-F46 HydrophobicContact CD1-CD1 3.13Å; I29-F46 HydrophobicContact CD1-CD2 3.63Å; I29-F46 HydrophobicContact CD1-CE1 3.64Å; I29-F46 HydrophobicContact CD1-CE2 4.09Å; I29-F46 HydrophobicContact CD1-CG 3.11Å; I29-F46 HydrophobicContact CD1-CZ 4.08Å; I29-F46 HydrophobicContact CG1-CG 4.37Å; I29-F46 HydrophobicContact CG2-CD2 3.85Å; I29-F46 HydrophobicContact CG2-CE2 4.03Å; I29-F46 HydrophobicContact CG2-CG 4.43Å; I29-Y61 HydrophobicContact CG2-CD2 3.96Å; I29-Y61 HydrophobicContact CG2-CG 4.11Å
30	K	92.6	Very high	88	Confident	64 Å²	64	62.5 Å²	62.5	28%	0.278	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.3	171.5	177.2	-173.8	164.8	-146.5	0	108.4	A32 F40 Y61 E62 M64	K30-A32 PolarHBondContact O-N 3.47Å; K30-F40 HydrophobicContact CB-CD1 3.78Å; K30-F40 HydrophobicContact CB-CE1 3.83Å; K30-F40 HydrophobicContact CD-CE1 3.88Å; K30-F40 HydrophobicContact CG-CD1 3.93Å; K30-F40 HydrophobicContact CG-CE1 3.62Å; K30-Y61 CarbonylContact O-C 3.47Å; K30-Y61 WeakPolarHBondContact O-CA 3.47Å; K30-E62 HydrophobicContact CB-CB 4.41Å; K30-E62 WeakPolarHBondContact CD-OE2 3.29Å; K30-E62 PolarHBondContact N-O 2.85Å; K30-E62 IonicContact NZ-OE2 2.81Å; K30-E62 PolarHBondContact NZ-OE2 3.25Å; K30-E62 PolarHBondContact O-N 3.29Å; K30-M64 HydrophobicContact CB-CG 4.02Å; K30-M64 HydrophobicContact CB-SD 4.24Å; K30-M64 HydrophobicContact CD-SD 4.15Å
31	C	92.9	Very high	88.1	Confident	8 Å²	8	59.7 Å²	59.7	5%	0.054	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	130	172	-178.9	0	0	0	0	109.5	E33 C34 F39 H59	C31-E33 VanDerWaalsContact C-N 3.33Å; C31-C34 HydrophobicContact CB-CB 3.99Å; C31-F39 HydrophobicContact CB-CB 4.2Å; C31-F39 HydrophobicContact CB-CD1 4.49Å; C31-F39 PolarHBondContact N-O 3.05Å; C31-H59 VanDerWaalsContact SG-CB 3.5Å; C31-H59 PolarHBondContact SG-ND1 2.73Å; C31-H59 VanDerWaalsContact SG-ND1 3.39Å
32	A	90.8	Very high	88.3	Confident	52 Å²	52	56 Å²	56	43%	0.43	32%	0.32	S	S	.	.	S	Bend	trans	-78.8	-19.4	-179.5	0	0	0	0	0	112.7	K30 T60	K30-A32 PolarHBondContact O-N 3.47Å; A32-T60 WeakPolarHBondContact CB-O 3.18Å; A32-T60 PolarHBondContact N-O 3.46Å
33	E	90.9	Very high	88.5	Confident	108 Å²	108	57.4 Å²	57.4	51%	0.505	32%	0.323	S	S	.	.	S	Bend	trans	-99.6	-23.1	-175.1	-66.1	175.1	-139.1	0	0	113.5	C31 H59 T60	C31-E33 VanDerWaalsContact C-N 3.33Å; E33-H59 HydrophobicContact CB-CB 4.43Å; E33-H59 IonicContact OE2-CD2 3.55Å; E33-H59 IonicContact OE2-CG 2.81Å; E33-H59 IonicContact OE2-NE2 2.87Å; E33-T60 WeakPolarHBondContact CG-OG1 3.46Å; E33-T60 WeakPolarHBondContact OE1-CB 3.38Å; E33-T60 PolarHBondContact OE1-N 3.31Å; E33-T60 PolarHBondContact OE1-OG1 3.09Å
34	C	88.3	Confident	88.7	Confident	21 Å²	21	56.9 Å²	56.9	14%	0.142	33%	0.326	C	S	.	.			trans	-92.6	116.2	-175.9	-71.5	0	0	0	0	112.4	C31 F39 H59	C31-C34 HydrophobicContact CB-CB 3.99Å; C34-F39 HydrophobicContact CB-CB 3.54Å; C34-F39 HydrophobicContact CB-CG 4.26Å; C34-H59 VanDerWaalsContact SG-CE1 3.6Å; C34-H59 PolarHBondContact SG-ND1 3.38Å
35	G	82.1	Confident	89	Confident	57 Å²	57	57.1 Å²	57.1	59%	0.588	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	172.1	170	165.8	0	0	0	0	0	113.8
36	P	80.7	Confident	89.5	Confident	132 Å²	132	53.6 Å²	53.6	86%	0.857	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.4	147	-14.9	32.1	-30.1	0	0	0	113.1
37	P	82.4	Confident	89.9	Confident	93 Å²	93	54.8 Å²	54.8	60%	0.604	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	cis	-78.3	156.9	4.3	32	-35.8	0	0	0	113.7
38	P	85.5	Confident	90.1	Very high	62 Å²	62	61.8 Å²	61.8	40%	0.403	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	146.6	179.9	25.6	-34.2	0	0	0	112	F40	P38-F40 HydrophobicContact CB-CE1 4.43Å; P38-F40 HydrophobicContact CB-CE2 4.02Å; P38-F40 HydrophobicContact CB-CZ 3.85Å; P38-F40 HydrophobicContact CG-CE2 3.88Å; P38-F40 HydrophobicContact CG-CZ 4.02Å
39	F	89.5	Confident	90.1	Very high	20 Å²	20	62 Å²	62	9%	0.088	35%	0.352	C	S	.	.			trans	-110.1	111.4	-174.7	-161.3	-82.8	0	0	0	111	R18 C31 C34 L41 F50 Y52 H55	R18-F39 HydrophobicContact CB-CD1 4.38Å; R18-F39 HydrophobicContact CB-CD2 4.19Å; R18-F39 HydrophobicContact CB-CE1 3.93Å; R18-F39 HydrophobicContact CB-CE2 3.71Å; R18-F39 HydrophobicContact CB-CG 4.5Å; R18-F39 HydrophobicContact CB-CZ 3.57Å; R18-F39 HydrophobicContact CG-CD1 4.41Å; R18-F39 HydrophobicContact CG-CD2 3.9Å; R18-F39 HydrophobicContact CG-CE1 4.43Å; R18-F39 HydrophobicContact CG-CE2 3.93Å; R18-F39 HydrophobicContact CG-CG 4.15Å; R18-F39 HydrophobicContact CG-CZ 4.21Å; C31-F39 HydrophobicContact CB-CB 4.2Å; C31-F39 HydrophobicContact CB-CD1 4.49Å; C31-F39 PolarHBondContact N-O 3.05Å; C34-F39 HydrophobicContact CB-CB 3.54Å; C34-F39 HydrophobicContact CB-CG 4.26Å; F39-L41 HydrophobicContact CD1-CD2 4.47Å; F39-L41 HydrophobicContact CD1-CG 4.12Å; F39-L41 HydrophobicContact CE1-CD1 3.99Å; F39-L41 HydrophobicContact CE1-CD2 3.69Å; F39-L41 HydrophobicContact CE1-CG 3.72Å; F39-L41 HydrophobicContact CZ-CD2 4.41Å; F39-F50 HydrophobicContact CZ-CD1 4.42Å; F39-F50 HydrophobicContact CZ-CE1 4.13Å; F39-Y52 HydrophobicContact CE2-CD1 4.31Å; F39-H55 HydrophobicContact CD1-CB 4.3Å; F39-H55 AromaticContact CD1-CD2 3.81Å; F39-H55 AromaticContact CD1-CG 3.81Å; F39-H55 HydrophobicContact CD2-CB 4.28Å; F39-H55 HydrophobicContact CE1-CB 3.99Å; F39-H55 AromaticContact CE1-CD2 3.15Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.44Å; F39-H55 AromaticContact CE1-CG 3.52Å; F39-H55 AromaticContact CE1-NE2 3.66Å; F39-H55 HydrophobicContact CE2-CB 3.97Å; F39-H55 HydrophobicContact CG-CB 4.43Å; F39-H55 HydrophobicContact CZ-CB 3.82Å; F39-H55 AromaticContact CZ-CD2 3.61Å; F39-H55 AromaticContact CZ-CG 3.85Å
40	F	93	Very high	90	Very high	35 Å²	35	64.3 Å²	64.3	15%	0.154	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.5	-178.2	-55	-64.5	0	0	0	112.3	P15 R18 L24 Y28 I29 K30 P38	P15-F40 HydrophobicContact CB-CD2 3.62Å; P15-F40 HydrophobicContact CB-CE2 3.87Å; P15-F40 HydrophobicContact CB-CG 4.45Å; P15-F40 HydrophobicContact CG-CD2 4.19Å; P15-F40 HydrophobicContact CG-CE2 4.3Å; R18-F40 PolarHBondContact N-O 3.39Å; L24-F40 HydrophobicContact CD1-CB 3.33Å; L24-F40 HydrophobicContact CD1-CG 4.21Å; Y28-F40 HydrophobicContact CD2-CB 4.41Å; Y28-F40 HydrophobicContact CD2-CD1 4.19Å; Y28-F40 AromaticContact CE2-CD1 3.73Å; Y28-F40 HydrophobicContact CE2-CD1 3.73Å; Y28-F40 HydrophobicContact CE2-CE1 4.09Å; Y28-F40 HydrophobicContact CE2-CG 4.25Å; I29-F40 CarbonylContact O-C 3.53Å; I29-F40 VanDerWaalsContact O-CA 3.29Å; I29-F40 WeakPolarHBondContact O-CA 3.22Å; K30-F40 HydrophobicContact CB-CD1 3.78Å; K30-F40 HydrophobicContact CB-CE1 3.83Å; K30-F40 HydrophobicContact CD-CE1 3.88Å; K30-F40 HydrophobicContact CG-CD1 3.93Å; K30-F40 HydrophobicContact CG-CE1 3.62Å; P38-F40 HydrophobicContact CB-CE1 4.43Å; P38-F40 HydrophobicContact CB-CE2 4.02Å; P38-F40 HydrophobicContact CB-CZ 3.85Å; P38-F40 HydrophobicContact CG-CE2 3.88Å; P38-F40 HydrophobicContact CG-CZ 4.02Å
41	L	91.7	Very high	90	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.021	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.5	179.5	-69.2	177.5	0	0	0	111.4	R18 I29 F39 C45 F46 F50 H55	R18-L41 HydrophobicContact CB-CD2 4.42Å; I29-L41 PolarHBondContact N-O 3.42Å; I29-L41 PolarHBondContact O-N 3.35Å; F39-L41 HydrophobicContact CD1-CD2 4.47Å; F39-L41 HydrophobicContact CD1-CG 4.12Å; F39-L41 HydrophobicContact CE1-CD1 3.99Å; F39-L41 HydrophobicContact CE1-CD2 3.69Å; F39-L41 HydrophobicContact CE1-CG 3.72Å; F39-L41 HydrophobicContact CZ-CD2 4.41Å; L41-C45 HydrophobicContact CD2-CB 4Å; L41-F46 HydrophobicContact CB-CB 4.36Å; L41-F46 HydrophobicContact CD1-CB 4.43Å; L41-F46 HydrophobicContact CD1-CD2 4.36Å; L41-F50 HydrophobicContact CD2-CD1 3.74Å; L41-F50 HydrophobicContact CD2-CE1 4.4Å; L41-F50 HydrophobicContact CD2-CG 4.47Å; L41-H55 WeakPolarHBondContact CD1-NE2 3.49Å
42	C	93	Very high	89.6	Confident	20 Å²	20	70.8 Å²	70.8	14%	0.135	39%	0.389	C	S	.	.			trans	-73.5	156.5	165	73.7	0	0	0	0	109.3	C17 C20 L24 Q44 C45 F46	C17-C42 HydrophobicContact CB-CB 4.3Å; C17-C42 PolarHBondContact SG-N 3.19Å; C20-C42 VanDerWaalsContact SG-SG 3.62Å; L24-C42 HydrophobicContact CD2-CB 3.64Å; L24-C42 VanDerWaalsContact CD2-N 3.34Å; C42-Q44 PolarHBondContact O-N 3.32Å; C42-Q44 VanDerWaalsContact O-N 3.12Å; C42-C45 PolarHBondContact O-N 3.47Å; C42-C45 PolarHBondContact SG-N 2.9Å; C42-C45 VanDerWaalsContact SG-N 3.37Å; C42-F46 PolarHBondContact O-N 2.92Å
43	L	91.4	Very high	89.3	Confident	81 Å²	81	76.3 Å²	76.3	42%	0.424	40%	0.403	S	S	.	.	H	α-helix	trans	-55	-34.3	179.8	-63.2	-177.6	0	0	0	113	P27 I29 T47	P27-L43 HydrophobicContact CG-CD1 4.04Å; I29-L43 HydrophobicContact CD1-CD2 3.83Å; I29-L43 HydrophobicContact CG1-CD2 4.08Å; L43-T47 WeakPolarHBondContact O-CB 3.45Å; L43-T47 VanDerWaalsContact O-CG2 3.25Å; L43-T47 WeakPolarHBondContact O-CG2 3.46Å; L43-T47 PolarHBondContact O-N 3.28Å; L43-T47 PolarHBondContact O-OG1 3.48Å
44	Q	92.7	Very high	89.1	Confident	132 Å²	132	80 Å²	80	62%	0.617	42%	0.417	S	S	*	.	H	α-helix	trans	-69.7	-39	178.9	-65.7	-179.5	0.8	0	0	112.7	C42 T47 R48	C42-Q44 PolarHBondContact O-N 3.32Å; C42-Q44 VanDerWaalsContact O-N 3.12Å; Q44-T47 PolarHBondContact O-OG1 3.28Å; Q44-R48 WeakPolarHBondContact O-CB 3.4Å; Q44-R48 WeakPolarHBondContact O-CD 3.49Å; Q44-R48 WeakPolarHBondContact O-CG 3.29Å; Q44-R48 PolarHBondContact O-N 3.37Å
45	C	92.9	Very high	89.2	Confident	11 Å²	11	79.4 Å²	79.4	7%	0.074	41%	0.413	C	S	.	.	H	α-helix	trans	-71.9	-38.7	176.6	-72	0	0	0	0	111	C17 C20 L41 C42 R48 G49 F50	C17-C45 VanDerWaalsContact SG-SG 3.68Å; C20-C45 VanDerWaalsContact SG-SG 3.6Å; L41-C45 HydrophobicContact CD2-CB 4Å; C42-C45 PolarHBondContact O-N 3.47Å; C42-C45 PolarHBondContact SG-N 2.9Å; C42-C45 VanDerWaalsContact SG-N 3.37Å; C45-R48 PolarHBondContact O-N 2.89Å; C45-G49 PolarHBondContact O-N 2.85Å; C45-F50 HydrophobicContact CB-CB 4.05Å; C45-F50 HydrophobicContact CB-CG 4.49Å; C45-F50 WeakPolarHBondContact O-CB 3.5Å; C45-F50 PolarHBondContact O-N 3.49Å
46	F	93.3	Very high	89.6	Confident	51 Å²	51	80.4 Å²	80.4	22%	0.224	40%	0.402	C	S	.	.	H	α-helix	trans	-64.4	-48.8	176.8	-179.7	-99.8	0	0	0	112.5	I29 L41 C42 R48 G49 Y61	I29-F46 HydrophobicContact CB-CD2 4.39Å; I29-F46 HydrophobicContact CD1-CB 3.51Å; I29-F46 HydrophobicContact CD1-CD1 3.13Å; I29-F46 HydrophobicContact CD1-CD2 3.63Å; I29-F46 HydrophobicContact CD1-CE1 3.64Å; I29-F46 HydrophobicContact CD1-CE2 4.09Å; I29-F46 HydrophobicContact CD1-CG 3.11Å; I29-F46 HydrophobicContact CD1-CZ 4.08Å; I29-F46 HydrophobicContact CG1-CG 4.37Å; I29-F46 HydrophobicContact CG2-CD2 3.85Å; I29-F46 HydrophobicContact CG2-CE2 4.03Å; I29-F46 HydrophobicContact CG2-CG 4.43Å; L41-F46 HydrophobicContact CB-CB 4.36Å; L41-F46 HydrophobicContact CD1-CB 4.43Å; L41-F46 HydrophobicContact CD1-CD2 4.36Å; C42-F46 PolarHBondContact O-N 2.92Å; F46-R48 PolarHBondContact O-N 3.45Å; F46-G49 PolarHBondContact O-N 3.25Å; F46-Y61 HydrophobicContact CE1-CE1 4.42Å; F46-Y61 HydrophobicContact CE1-CE2 4.5Å; F46-Y61 AromaticContact CE2-CD1 3.91Å; F46-Y61 HydrophobicContact CE2-CD1 3.91Å; F46-Y61 HydrophobicContact CE2-CD2 4.46Å; F46-Y61 HydrophobicContact CE2-CE1 4.31Å; F46-Y61 HydrophobicContact CE2-CG 4Å; F46-Y61 AromaticContact CZ-CD1 3.62Å; F46-Y61 HydrophobicContact CZ-CD1 3.62Å; F46-Y61 HydrophobicContact CZ-CD2 4.16Å; F46-Y61 AromaticContact CZ-CE1 3.54Å; F46-Y61 HydrophobicContact CZ-CE1 3.54Å; F46-Y61 HydrophobicContact CZ-CE2 4.08Å; F46-Y61 AromaticContact CZ-CG 3.94Å; F46-Y61 HydrophobicContact CZ-CG 3.94Å; F46-Y61 AromaticContact CZ-CZ 3.78Å
47	T	91.9	Very high	90.1	Very high	111 Å²	111	76.9 Å²	76.9	68%	0.681	38%	0.38	S	S	*	.	H	α-helix	trans	-65.6	-21.8	179.5	50	0	0	0	0	113.8	L43 Q44 G49	L43-T47 WeakPolarHBondContact O-CB 3.45Å; L43-T47 VanDerWaalsContact O-CG2 3.25Å; L43-T47 WeakPolarHBondContact O-CG2 3.46Å; L43-T47 PolarHBondContact O-N 3.28Å; L43-T47 PolarHBondContact O-OG1 3.48Å; Q44-T47 PolarHBondContact O-OG1 3.28Å; T47-G49 VanDerWaalsContact C-N 3.27Å
48	R	93.2	Very high	90.5	Very high	200 Å²	200	78.7 Å²	78.7	76%	0.755	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.3	172.3	-72.3	175.6	179.9	177	1.7	113.5	Q44 C45 F46	Q44-R48 WeakPolarHBondContact O-CB 3.4Å; Q44-R48 WeakPolarHBondContact O-CD 3.49Å; Q44-R48 WeakPolarHBondContact O-CG 3.29Å; Q44-R48 PolarHBondContact O-N 3.37Å; C45-R48 PolarHBondContact O-N 2.89Å; F46-R48 PolarHBondContact O-N 3.45Å
49	G	90.8	Very high	90.9	Very high	32 Å²	32	77.1 Å²	77.1	33%	0.33	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	44.7	-176.6	0	0	0	0	0	112.1	C45 F46 T47 E51	C45-G49 PolarHBondContact O-N 2.85Å; F46-G49 PolarHBondContact O-N 3.25Å; T47-G49 VanDerWaalsContact C-N 3.27Å; G49-E51 PolarHBondContact O-N 3.34Å
50	F	91.1	Very high	91.1	Very high	56 Å²	56	80.1 Å²	80.1	25%	0.246	39%	0.392	C	S	.	.			trans	-64.7	119.5	-180	179.8	-93.4	0	0	0	111.6	G19 F39 L41 C45 Y52 H55	G19-F50 VanDerWaalsContact CA-CE1 3.46Å; G19-F50 VanDerWaalsContact CA-CZ 3.42Å; F39-F50 HydrophobicContact CZ-CD1 4.42Å; F39-F50 HydrophobicContact CZ-CE1 4.13Å; L41-F50 HydrophobicContact CD2-CD1 3.74Å; L41-F50 HydrophobicContact CD2-CE1 4.4Å; L41-F50 HydrophobicContact CD2-CG 4.47Å; C45-F50 HydrophobicContact CB-CB 4.05Å; C45-F50 HydrophobicContact CB-CG 4.49Å; C45-F50 WeakPolarHBondContact O-CB 3.5Å; C45-F50 PolarHBondContact O-N 3.49Å; F50-Y52 HydrophobicContact CE1-CG 4.41Å; F50-Y52 HydrophobicContact CZ-CD2 4.45Å; F50-Y52 HydrophobicContact CZ-CG 4.38Å; F50-H55 PolarHBondContact O-CD2 2.89Å
51	E	91.3	Very high	91.1	Very high	93 Å²	93	84.1 Å²	84.1	44%	0.435	41%	0.407	S	S	.	.			trans	-115	139.7	178.4	-66.5	179.3	169.8	0	0	110.4	G49 Q56 S57	G49-E51 PolarHBondContact O-N 3.34Å; E51-Q56 VanDerWaalsContact CD-OE1 3.32Å; E51-Q56 PolarHBondContact OE1-OE1 2.97Å; E51-Q56 PolarHBondContact OE2-OE1 2.66Å; E51-S57 VanDerWaalsContact OE1-CB 3.3Å; E51-S57 WeakPolarHBondContact OE1-CB 3.42Å; E51-S57 PolarHBondContact OE1-N 2.86Å; E51-S57 VanDerWaalsContact OE1-N 3.09Å; E51-S57 PolarHBondContact OE1-OG 2.82Å
52	Y	84.3	Confident	91.1	Very high	115 Å²	115	88.1 Å²	88.1	45%	0.451	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-153.8	122.6	179.6	-174.5	-104.3	0	0	0	112.4	F39 F50 K54 H55	F39-Y52 HydrophobicContact CE2-CD1 4.31Å; F50-Y52 HydrophobicContact CE1-CG 4.41Å; F50-Y52 HydrophobicContact CZ-CD2 4.45Å; F50-Y52 HydrophobicContact CZ-CG 4.38Å; Y52-K54 PolarHBondContact O-N 2.94Å; Y52-H55 PolarHBondContact N-O 2.87Å; Y52-H55 VanDerWaalsContact N-O 3.14Å; Y52-H55 WeakPolarHBondContact O-CB 3.42Å; Y52-H55 PolarHBondContact O-N 3.31Å
53	K	85.3	Confident	90.9	Very high	169 Å²	169	92 Å²	92	74%	0.735	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	-102.7	-178.9	-65.8	178.4	175.1	169.6	0	111.9
54	K	86.4	Confident	90.8	Very high	185 Å²	185	91 Å²	91	80%	0.804	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.9	-177.3	-64.7	-174.8	177.9	-177.2	0	112.7	Y52 H59	Y52-K54 PolarHBondContact O-N 2.94Å; K54-H59 PolarHBondContact O-CE1 2.73Å
55	H	90.3	Very high	90.5	Very high	9 Å²	9	87.2 Å²	87.2	4%	0.042	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-87.5	125.6	177.6	179.1	55.5	0	0	0	110.7	F39 L41 F50 Y52 H59	F39-H55 HydrophobicContact CD1-CB 4.3Å; F39-H55 AromaticContact CD1-CD2 3.81Å; F39-H55 AromaticContact CD1-CG 3.81Å; F39-H55 HydrophobicContact CD2-CB 4.28Å; F39-H55 HydrophobicContact CE1-CB 3.99Å; F39-H55 AromaticContact CE1-CD2 3.15Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.44Å; F39-H55 AromaticContact CE1-CG 3.52Å; F39-H55 AromaticContact CE1-NE2 3.66Å; F39-H55 HydrophobicContact CE2-CB 3.97Å; F39-H55 HydrophobicContact CG-CB 4.43Å; F39-H55 HydrophobicContact CZ-CB 3.82Å; F39-H55 AromaticContact CZ-CD2 3.61Å; F39-H55 AromaticContact CZ-CG 3.85Å; L41-H55 WeakPolarHBondContact CD1-NE2 3.49Å; F50-H55 PolarHBondContact O-CD2 2.89Å; Y52-H55 PolarHBondContact N-O 2.87Å; Y52-H55 VanDerWaalsContact N-O 3.14Å; Y52-H55 WeakPolarHBondContact O-CB 3.42Å; Y52-H55 PolarHBondContact O-N 3.31Å; H55-H59 AromaticContact ND1-ND1 3.56Å
56	Q	91.9	Very high	90	Very high	78 Å²	78	87.7 Å²	87.7	36%	0.364	43%	0.428	S	S	.	.			trans	-110.4	154.6	171.7	-57.4	-63.3	-30.3	0	0	110.6	E51 D58 H59	E51-Q56 VanDerWaalsContact CD-OE1 3.32Å; E51-Q56 PolarHBondContact OE1-OE1 2.97Å; E51-Q56 PolarHBondContact OE2-OE1 2.66Å; Q56-D58 WeakPolarHBondContact CB-OD1 3.45Å; Q56-D58 PolarHBondContact O-N 2.74Å; Q56-H59 PolarHBondContact N-CE1 2.84Å; Q56-H59 PolarHBondContact N-NE2 3.16Å; Q56-H59 WeakPolarHBondContact O-CB 3.23Å; Q56-H59 PolarHBondContact O-N 3.43Å
57	S	90.7	Very high	89.5	Confident	58 Å²	58	90.2 Å²	90.2	41%	0.406	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.5	-176.1	58.2	0	0	0	0	113.7	E51	E51-S57 VanDerWaalsContact OE1-CB 3.3Å; E51-S57 WeakPolarHBondContact OE1-CB 3.42Å; E51-S57 PolarHBondContact OE1-N 2.86Å; E51-S57 VanDerWaalsContact OE1-N 3.09Å; E51-S57 PolarHBondContact OE1-OG 2.82Å
58	D	90.8	Very high	89.1	Confident	131 Å²	131	89.8 Å²	89.8	70%	0.701	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.7	177.6	65.4	-15	0	0	0	113.8	Q56	Q56-D58 WeakPolarHBondContact CB-OD1 3.45Å; Q56-D58 PolarHBondContact O-N 2.74Å
59	H	94.1	Very high	88.7	Confident	28 Å²	28	84 Å²	84	13%	0.13	42%	0.42	C	S	.	.	S	Bend	trans	-59.7	142.6	175.7	-74.4	-166.8	0	0	0	111.4	C31 E33 C34 K54 H55 Q56	C31-H59 VanDerWaalsContact SG-CB 3.5Å; C31-H59 PolarHBondContact SG-ND1 2.73Å; C31-H59 VanDerWaalsContact SG-ND1 3.39Å; E33-H59 HydrophobicContact CB-CB 4.43Å; E33-H59 IonicContact OE2-CD2 3.55Å; E33-H59 IonicContact OE2-CG 2.81Å; E33-H59 IonicContact OE2-NE2 2.87Å; C34-H59 VanDerWaalsContact SG-CE1 3.6Å; C34-H59 PolarHBondContact SG-ND1 3.38Å; K54-H59 PolarHBondContact O-CE1 2.73Å; H55-H59 AromaticContact ND1-ND1 3.56Å; Q56-H59 PolarHBondContact N-CE1 2.84Å; Q56-H59 PolarHBondContact N-NE2 3.16Å; Q56-H59 WeakPolarHBondContact O-CB 3.23Å; Q56-H59 PolarHBondContact O-N 3.43Å
60	T	93.5	Very high	88.2	Confident	83 Å²	83	86.2 Å²	86.2	51%	0.509	43%	0.428	S	S	.	.			trans	-58.7	143.8	169.6	54.7	0	0	0	0	110.8	A32 E33	A32-T60 WeakPolarHBondContact CB-O 3.18Å; A32-T60 PolarHBondContact N-O 3.46Å; E33-T60 WeakPolarHBondContact CG-OG1 3.46Å; E33-T60 WeakPolarHBondContact OE1-CB 3.38Å; E33-T60 PolarHBondContact OE1-N 3.31Å; E33-T60 PolarHBondContact OE1-OG1 3.09Å
61	Y	92.5	Very high	87.7	Confident	120 Å²	120	85.5 Å²	85.5	47%	0.471	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.7	-170.1	69.2	-90.5	0	0	0	112.5	I29 K30 F46 I63	I29-Y61 HydrophobicContact CG2-CD2 3.96Å; I29-Y61 HydrophobicContact CG2-CG 4.11Å; K30-Y61 CarbonylContact O-C 3.47Å; K30-Y61 WeakPolarHBondContact O-CA 3.47Å; F46-Y61 HydrophobicContact CE1-CE1 4.42Å; F46-Y61 HydrophobicContact CE1-CE2 4.5Å; F46-Y61 AromaticContact CE2-CD1 3.91Å; F46-Y61 HydrophobicContact CE2-CD1 3.91Å; F46-Y61 HydrophobicContact CE2-CD2 4.46Å; F46-Y61 HydrophobicContact CE2-CE1 4.31Å; F46-Y61 HydrophobicContact CE2-CG 4Å; F46-Y61 AromaticContact CZ-CD1 3.62Å; F46-Y61 HydrophobicContact CZ-CD1 3.62Å; F46-Y61 HydrophobicContact CZ-CD2 4.16Å; F46-Y61 AromaticContact CZ-CE1 3.54Å; F46-Y61 HydrophobicContact CZ-CE1 3.54Å; F46-Y61 HydrophobicContact CZ-CE2 4.08Å; F46-Y61 AromaticContact CZ-CG 3.94Å; F46-Y61 HydrophobicContact CZ-CG 3.94Å; F46-Y61 AromaticContact CZ-CZ 3.78Å; Y61-I63 HydrophobicContact CD2-CG1 4.14Å; Y61-I63 HydrophobicContact CE2-CD1 4.19Å; Y61-I63 HydrophobicContact CE2-CG1 3.86Å
62	E	91.6	Very high	87.2	Confident	88 Å²	88	82.6 Å²	82.6	41%	0.411	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.7	174.9	-64.9	173.3	169.5	0	0	108.5	K30	K30-E62 HydrophobicContact CB-CB 4.41Å; K30-E62 WeakPolarHBondContact CD-OE2 3.29Å; K30-E62 PolarHBondContact N-O 2.85Å; K30-E62 IonicContact NZ-OE2 2.81Å; K30-E62 PolarHBondContact NZ-OE2 3.25Å; K30-E62 PolarHBondContact O-N 3.29Å
63	I	90.1	Very high	87.2	Confident	100 Å²	100	82.9 Å²	82.9	51%	0.513	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.9	173.7	-53.8	175.8	0	0	0	107.5	P27 Y61 T65	P27-I63 HydrophobicContact CB-CG2 4.31Å; Y61-I63 HydrophobicContact CD2-CG1 4.14Å; Y61-I63 HydrophobicContact CE2-CD1 4.19Å; Y61-I63 HydrophobicContact CE2-CG1 3.86Å; I63-T65 HydrophobicContact CG2-CG2 3.67Å
64	M	88.5	Confident	87.2	Confident	60 Å²	60	78 Å²	78	30%	0.296	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.3	178.3	-57.3	-57.3	-58.9	0	0	109.1	P27 Y28 K30	P27-M64 WeakPolarHBondContact CA-O 3.45Å; Y28-M64 HydrophobicContact CD1-CB 4.23Å; Y28-M64 HydrophobicContact CD2-CB 4.06Å; Y28-M64 HydrophobicContact CD2-CG 4.07Å; Y28-M64 HydrophobicContact CE1-CB 3.92Å; Y28-M64 HydrophobicContact CE2-CB 3.75Å; Y28-M64 HydrophobicContact CE2-CG 3.6Å; Y28-M64 HydrophobicContact CG-CB 4.29Å; Y28-M64 PolarHBondContact N-O 3.29Å; Y28-M64 PolarHBondContact O-N 2.75Å; K30-M64 HydrophobicContact CB-CG 4.02Å; K30-M64 HydrophobicContact CB-SD 4.24Å; K30-M64 HydrophobicContact CD-SD 4.15Å
65	T	86.1	Confident	87.3	Confident	53 Å²	53	69.8 Å²	69.8	33%	0.325	38%	0.38	S	S	.	.			trans	-142.9	141	179	63.6	0	0	0	0	110.6	P27 I63 F68	P27-T65 HydrophobicContact CB-CG2 3.48Å; P27-T65 VanDerWaalsContact CB-CG2 3.48Å; I63-T65 HydrophobicContact CG2-CG2 3.67Å; T65-F68 WeakPolarHBondContact O-CD1 3.36Å; T65-F68 WeakPolarHBondContact O-CE1 3.37Å
66	S	82.7	Confident	87.2	Confident	22 Å²	22	71.1 Å²	71.1	15%	0.154	39%	0.39	C	S	.	.			trans	-101.6	8.5	171.9	-54.8	0	0	0	0	114	E26 F68 A77 Q78	E26-S66 PolarHBondContact OE1-OG 3.1Å; E26-S66 WeakPolarHBondContact OE2-CB 3.48Å; E26-S66 PolarHBondContact OE2-N 3.4Å; E26-S66 PolarHBondContact OE2-OG 2.96Å; S66-F68 VanDerWaalsContact C-N 3.26Å; S66-F68 PolarHBondContact O-N 3.39Å; S66-A77 WeakPolarHBondContact O-CB 3.24Å; S66-A77 PolarHBondContact O-N 3.01Å; S66-Q78 PolarHBondContact O-N 3.1Å; S66-Q78 VanDerWaalsContact O-N 3.15Å
67	D	82.5	Confident	86.8	Confident	104 Å²	104	68 Å²	68	56%	0.556	38%	0.377	S	S	*	.			trans	-84	47.8	-178	-65.3	-33.8	0	0	0	113.3
68	F	83.5	Confident	86.6	Confident	102 Å²	102	70.5 Å²	70.5	45%	0.447	38%	0.382	S	S	.	.	S	Bend	trans	-138.4	147.9	178.6	65.5	-88	0	0	0	111.5	T65 S66 V70 T76 A77	T65-F68 WeakPolarHBondContact O-CD1 3.36Å; T65-F68 WeakPolarHBondContact O-CE1 3.37Å; S66-F68 VanDerWaalsContact C-N 3.26Å; S66-F68 PolarHBondContact O-N 3.39Å; F68-V70 HydrophobicContact CD2-CG2 4.19Å; F68-V70 HydrophobicContact CE2-CG2 3.76Å; F68-V70 HydrophobicContact CZ-CG2 4.47Å; F68-T76 CarbonylContact O-C 3.37Å; F68-T76 WeakPolarHBondContact O-CA 3.27Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.1Å; F68-A77 HydrophobicContact CE2-CB 4.24Å; F68-A77 HydrophobicContact CZ-CB 3.97Å; F68-A77 PolarHBondContact O-N 2.64Å
69	P	85.5	Confident	86.6	Confident	77 Å²	77	65.6 Å²	65.6	50%	0.5	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-74.3	138.8	-179.5	28.9	-33.3	0	0	0	112.6	D72 W75	P69-D72 WeakPolarHBondContact CB-O 3.48Å; P69-W75 WeakPolarHBondContact CA-O 3.49Å
70	V	79.3	Confident	86.4	Confident	80 Å²	80	64.8 Å²	64.8	49%	0.485	35%	0.352	S	S	.	.	S	Bend	trans	-110.3	-61.3	-179	-175.6	0	0	0	0	111.6	F68 A77	F68-V70 HydrophobicContact CD2-CG2 4.19Å; F68-V70 HydrophobicContact CE2-CG2 3.76Å; F68-V70 HydrophobicContact CZ-CG2 4.47Å; V70-A77 HydrophobicContact CG2-CB 3.44Å; V70-A77 VanDerWaalsContact CG2-CB 3.44Å
71	L	81.2	Confident	86.1	Confident	40 Å²	40	66 Å²	66	21%	0.209	35%	0.353	C	S	.	.	S	Bend	trans	-104	-35.2	-173	-57.1	177	0	0	0	112.6	H117 F118 F124	L71-H117 HydrophobicContact CD1-CB 4.24Å; L71-F118 HydrophobicContact CD1-CE1 4.39Å; L71-F118 HydrophobicContact CD1-CE2 4.07Å; L71-F118 HydrophobicContact CD1-CZ 3.75Å; L71-F124 HydrophobicContact CD1-CE2 4.29Å; L71-F124 HydrophobicContact CD2-CE2 3.99Å; L71-F124 HydrophobicContact CD2-CZ 4.36Å
72	D	80.6	Confident	85.9	Confident	33 Å²	33	62 Å²	62	18%	0.176	34%	0.344	C	S	.	.	S	Bend	trans	-132.4	136.6	177.5	-167.7	-63.6	0	0	0	109.1	P69 S74 W75 K116 H117	P69-D72 WeakPolarHBondContact CB-O 3.48Å; D72-S74 PolarHBondContact O-N 3.15Å; D72-S74 WeakPolarHBondContact OD1-CB 3.47Å; D72-S74 PolarHBondContact OD1-N 2.68Å; D72-S74 PolarHBondContact OD1-OG 2.94Å; D72-W75 HydrophobicContact CB-CB 4.33Å; D72-W75 HydrophobicContact CB-CG 4.47Å; D72-W75 PolarHBondContact O-N 2.92Å; D72-W75 VanDerWaalsContact O-O 3.05Å; D72-K116 IonicContact OD2-NZ 3.46Å; D72-H117 IonicContact OD2-NE2 3.77Å
73	P	84.3	Confident	85.9	Confident	121 Å²	121	57.8 Å²	57.8	79%	0.786	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.5	177.3	-25.2	33.9	0	0	0	114.6
74	S	85.1	Confident	85.9	Confident	67 Å²	67	56.5 Å²	56.5	47%	0.469	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.1	178.7	64.2	0	0	0	0	114.4	D72 K105	D72-S74 PolarHBondContact O-N 3.15Å; D72-S74 WeakPolarHBondContact OD1-CB 3.47Å; D72-S74 PolarHBondContact OD1-N 2.68Å; D72-S74 PolarHBondContact OD1-OG 2.94Å; S74-K105 PolarHBondContact O-NZ 3.04Å
75	W	87.8	Confident	85.9	Confident	11 Å²	11	56.4 Å²	56.4	4%	0.042	32%	0.317	C	S	.	.	S	Bend	trans	-126.4	123	-177.6	-75.3	75.8	0	0	0	111.3	P69 D72 E79 E80 L83 M102 K105 H113	P69-W75 WeakPolarHBondContact CA-O 3.49Å; D72-W75 HydrophobicContact CB-CB 4.33Å; D72-W75 HydrophobicContact CB-CG 4.47Å; D72-W75 PolarHBondContact O-N 2.92Å; D72-W75 VanDerWaalsContact O-O 3.05Å; W75-E79 WeakPolarHBondContact CA-OE2 3.38Å; W75-E79 HydrophobicContact CE3-CB 3.82Å; W75-E79 HydrophobicContact CZ3-CB 4.29Å; W75-E80 WeakPolarHBondContact CB-OE1 3.22Å; W75-L83 HydrophobicContact CH2-CD1 4.45Å; W75-L83 HydrophobicContact CH2-CD2 3.97Å; W75-L83 HydrophobicContact CZ3-CB 4.13Å; W75-L83 HydrophobicContact CZ3-CD2 3.83Å; W75-L83 HydrophobicContact CZ3-CG 4.41Å; W75-M102 HydrophobicContact CH2-CE 4.25Å; W75-M102 HydrophobicContact CZ3-CE 3.67Å; W75-K105 HydrophobicContact CH2-CB 4.07Å; W75-K105 HydrophobicContact CH2-CD 4.42Å; W75-K105 HydrophobicContact CH2-CG 3.63Å; W75-K105 HydrophobicContact CZ2-CB 4.28Å; W75-K105 HydrophobicContact CZ2-CD 4.09Å; W75-K105 HydrophobicContact CZ2-CG 3.78Å; W75-K105 HydrophobicContact CZ3-CG 4.06Å; W75-H113 AromaticContact CD1-CE1 3.59Å; W75-H113 AromaticContact CD1-ND1 3.62Å; W75-H113 AromaticContact CD2-CD2 3.6Å; W75-H113 AromaticContact CD2-CE1 3.85Å; W75-H113 AromaticContact CD2-CG 3.85Å; W75-H113 AromaticContact CD2-NE2 3.6Å; W75-H113 AromaticContact CE2-CD2 3.64Å; W75-H113 AromaticContact CE2-CG 3.44Å; W75-H113 VanDerWaalsContact CE2-CG 3.44Å; W75-H113 AromaticContact CE2-ND1 3.77Å; W75-H113 AromaticContact CE3-CD2 3.76Å; W75-H113 AromaticContact CE3-NE2 3.89Å; W75-H113 AromaticContact CG-CE1 3.58Å; W75-H113 AromaticContact CG-ND1 3.98Å; W75-H113 AromaticContact CG-NE2 3.72Å; W75-H113 HydrophobicContact CH2-CB 4.15Å; W75-H113 HydrophobicContact CZ2-CB 3.51Å; W75-H113 AromaticContact CZ2-CD2 3.87Å; W75-H113 AromaticContact CZ2-CG 3.67Å; W75-H113 AromaticContact CZ3-CD2 3.96Å; W75-H113 AromaticContact NE1-CE1 3.88Å; W75-H113 AromaticContact NE1-CG 3.64Å; W75-H113 AromaticContact NE1-ND1 3.48Å; W75-H113 PolarHBondContact NE1-ND1 3.43Å
76	T	88.4	Confident	86.1	Confident	38 Å²	38	53.9 Å²	53.9	23%	0.233	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-80.7	156.8	175.5	58.9	0	0	0	0	112.1	F68 Q78 E79 E80	F68-T76 CarbonylContact O-C 3.37Å; F68-T76 WeakPolarHBondContact O-CA 3.27Å; T76-Q78 PolarHBondContact O-N 3.42Å; T76-E79 PolarHBondContact N-OE2 3.41Å; T76-E79 WeakPolarHBondContact O-CA 3.31Å; T76-E79 WeakPolarHBondContact O-CB 3.41Å; T76-E79 PolarHBondContact O-N 3.3Å; T76-E79 VanDerWaalsContact OG1-CG 3.22Å; T76-E79 WeakPolarHBondContact OG1-CG 3.23Å; T76-E79 PolarHBondContact OG1-N 2.96Å; T76-E79 PolarHBondContact OG1-OE2 3.2Å; T76-E80 WeakPolarHBondContact O-CG 3.05Å; T76-E80 PolarHBondContact O-N 2.97Å
77	A	84.6	Confident	86.6	Confident	13 Å²	13	53.3 Å²	53.3	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-55.2	-37.4	175.9	0	0	0	0	0	111.8	S66 F68 V70 E80 M81	S66-A77 WeakPolarHBondContact O-CB 3.24Å; S66-A77 PolarHBondContact O-N 3.01Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.1Å; F68-A77 HydrophobicContact CE2-CB 4.24Å; F68-A77 HydrophobicContact CZ-CB 3.97Å; F68-A77 PolarHBondContact O-N 2.64Å; V70-A77 HydrophobicContact CG2-CB 3.44Å; V70-A77 VanDerWaalsContact CG2-CB 3.44Å; A77-E80 PolarHBondContact O-N 3.03Å; A77-M81 WeakPolarHBondContact O-CG 3.45Å; A77-M81 PolarHBondContact O-N 3.43Å
78	Q	86.8	Confident	86.9	Confident	109 Å²	109	54.7 Å²	54.7	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-42.8	173.8	-171.9	176.1	-13.4	0	0	112.4	S66 T76 A82	S66-Q78 PolarHBondContact O-N 3.1Å; S66-Q78 VanDerWaalsContact O-N 3.15Å; T76-Q78 PolarHBondContact O-N 3.42Å; Q78-A82 VanDerWaalsContact O-CB 3.32Å; Q78-A82 WeakPolarHBondContact O-CB 3.5Å; Q78-A82 PolarHBondContact O-N 3.37Å
79	E	89.9	Confident	87	Confident	28 Å²	28	53.1 Å²	53.1	13%	0.131	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-35.8	176.2	-71.1	170.1	132.9	0	0	112.2	W75 T76 A82 L83 M102 T104 K105	W75-E79 WeakPolarHBondContact CA-OE2 3.38Å; W75-E79 HydrophobicContact CE3-CB 3.82Å; W75-E79 HydrophobicContact CZ3-CB 4.29Å; T76-E79 PolarHBondContact N-OE2 3.41Å; T76-E79 WeakPolarHBondContact O-CA 3.31Å; T76-E79 WeakPolarHBondContact O-CB 3.41Å; T76-E79 PolarHBondContact O-N 3.3Å; T76-E79 VanDerWaalsContact OG1-CG 3.22Å; T76-E79 WeakPolarHBondContact OG1-CG 3.23Å; T76-E79 PolarHBondContact OG1-N 2.96Å; T76-E79 PolarHBondContact OG1-OE2 3.2Å; E79-A82 PolarHBondContact O-N 2.86Å; E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 PolarHBondContact O-N 3.2Å; E79-M102 HydrophobicContact CB-CE 4.19Å; E79-M102 VanDerWaalsContact O-CE 3.31Å; E79-M102 WeakPolarHBondContact O-CE 3.49Å; E79-T104 WeakPolarHBondContact OE1-CB 3.28Å; E79-T104 PolarHBondContact OE1-OG1 3.27Å; E79-K105 VanDerWaalsContact OE1-CE 3.23Å; E79-K105 WeakPolarHBondContact OE1-CE 3.31Å; E79-K105 IonicContact OE1-NZ 3.96Å
80	E	89.6	Confident	87.2	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.056	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-45.2	175.4	-62.3	-70.7	-175	0	0	111.3	W75 T76 A77 L83 L84 H113	W75-E80 WeakPolarHBondContact CB-OE1 3.22Å; T76-E80 WeakPolarHBondContact O-CG 3.05Å; T76-E80 PolarHBondContact O-N 2.97Å; A77-E80 PolarHBondContact O-N 3.03Å; E80-L83 PolarHBondContact O-N 3.32Å; E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 2.87Å; E80-H113 IonicContact OE1-CE1 2.64Å; E80-H113 PolarHBondContact OE1-CE1 2.94Å; E80-H113 IonicContact OE1-NE2 3.65Å; E80-H113 PolarHBondContact OE1-NE2 2.88Å; E80-H113 IonicContact OE2-CD2 3.25Å; E80-H113 IonicContact OE2-NE2 2.87Å; E80-H113 PolarHBondContact OE2-NE2 2.95Å
81	M	87.1	Confident	87.5	Confident	109 Å²	109	49 Å²	49	54%	0.537	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-47.7	176	-71.2	-177.7	62.9	0	0	111.5	A77 L83 L84 E85	A77-M81 WeakPolarHBondContact O-CG 3.45Å; A77-M81 PolarHBondContact O-N 3.43Å; M81-L83 PolarHBondContact O-N 3.41Å; M81-L84 PolarHBondContact O-N 3.34Å; M81-E85 WeakPolarHBondContact O-CG 3.41Å; M81-E85 PolarHBondContact O-N 3.14Å
82	A	88.8	Confident	87.8	Confident	34 Å²	34	53 Å²	53	28%	0.281	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-35.3	179	0	0	0	0	0	112	Q78 E79 A86 M102	Q78-A82 VanDerWaalsContact O-CB 3.32Å; Q78-A82 WeakPolarHBondContact O-CB 3.5Å; Q78-A82 PolarHBondContact O-N 3.37Å; E79-A82 PolarHBondContact O-N 2.86Å; A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 2.95Å; A82-M102 HydrophobicContact CB-CE 4.31Å; A82-M102 HydrophobicContact CB-SD 3.43Å; A82-M102 WeakPolarHBondContact CB-SD 3.27Å
83	L	91.6	Very high	87.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-45.1	178.3	178.5	66.3	0	0	0	111.2	W75 E79 E80 M81 A86 V87 V98 M102 C110 Y114	W75-L83 HydrophobicContact CH2-CD1 4.45Å; W75-L83 HydrophobicContact CH2-CD2 3.97Å; W75-L83 HydrophobicContact CZ3-CB 4.13Å; W75-L83 HydrophobicContact CZ3-CD2 3.83Å; W75-L83 HydrophobicContact CZ3-CG 4.41Å; E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 PolarHBondContact O-N 3.2Å; E80-L83 PolarHBondContact O-N 3.32Å; M81-L83 PolarHBondContact O-N 3.41Å; L83-A86 PolarHBondContact O-N 3.45Å; L83-V87 HydrophobicContact CD1-CG2 4.39Å; L83-V87 WeakPolarHBondContact O-CB 3.48Å; L83-V87 VanDerWaalsContact O-CG2 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.39Å; L83-V87 PolarHBondContact O-N 2.89Å; L83-V98 HydrophobicContact CD1-CG1 3.77Å; L83-M102 WeakPolarHBondContact CA-SD 3.43Å; L83-M102 HydrophobicContact CB-CE 3.96Å; L83-M102 HydrophobicContact CB-SD 3.99Å; L83-M102 PolarHBondContact N-SD 3.16Å; L83-C110 HydrophobicContact CD1-CB 3.77Å; L83-Y114 HydrophobicContact CD2-CD2 4.33Å; L83-Y114 HydrophobicContact CG-CD2 4.48Å
84	L	90.8	Very high	88.2	Confident	74 Å²	74	50.9 Å²	50.9	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-42.1	179.1	-68.1	176	0	0	0	111.7	E80 M81 V87 M88 Y114 F118	E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 2.87Å; M81-L84 PolarHBondContact O-N 3.34Å; L84-V87 PolarHBondContact O-N 3.05Å; L84-M88 WeakPolarHBondContact O-CB 3.4Å; L84-M88 PolarHBondContact O-N 3.41Å; L84-Y114 HydrophobicContact CD2-CE2 3.89Å; L84-F118 HydrophobicContact CD1-CE1 3.97Å; L84-F118 HydrophobicContact CD1-CZ 4.28Å; L84-F118 HydrophobicContact CD2-CD1 4.05Å; L84-F118 HydrophobicContact CD2-CE1 3.77Å; L84-F118 HydrophobicContact CD2-CZ 4.06Å; L84-F118 HydrophobicContact CG-CE1 4.25Å; L84-F118 HydrophobicContact CG-CZ 4.3Å
85	E	88.2	Confident	88.6	Confident	57 Å²	57	48.5 Å²	48.5	27%	0.266	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-47	173.9	-71.4	179.1	-174.1	0	0	111.4	S8 M81 V87 M88 D89	S8-E85 VanDerWaalsContact CB-OE2 3.23Å; S8-E85 WeakPolarHBondContact CB-OE2 3.5Å; S8-E85 PolarHBondContact OG-OE2 3.43Å; M81-E85 WeakPolarHBondContact O-CG 3.41Å; M81-E85 PolarHBondContact O-N 3.14Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.01Å; E85-M88 WeakPolarHBondContact O-CB 3.36Å; E85-M88 PolarHBondContact O-N 3.06Å; E85-M88 VanDerWaalsContact O-N 3.12Å; E85-D89 PolarHBondContact O-N 3.36Å
86	A	90.7	Very high	88.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-37.5	178.9	0	0	0	0	0	112.3	A82 L83 C90 V98 Q101 M102	A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 2.95Å; L83-A86 PolarHBondContact O-N 3.45Å; A86-C90 WeakPolarHBondContact O-CB 3.31Å; A86-C90 PolarHBondContact O-N 3.38Å; A86-V98 HydrophobicContact CB-CB 4.42Å; A86-V98 HydrophobicContact CB-CG1 3.87Å; A86-Q101 HydrophobicContact CB-CB 4.02Å; A86-Q101 HydrophobicContact CB-CG 3.96Å; A86-M102 HydrophobicContact CB-CG 4.28Å
87	V	91.8	Very high	88.8	Confident	11 Å²	11	53.7 Å²	53.7	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-36.9	174.1	171.2	0	0	0	0	111.6	L83 L84 E85 G91 F92 W95 V98 Y114	L83-V87 HydrophobicContact CD1-CG2 4.39Å; L83-V87 WeakPolarHBondContact O-CB 3.48Å; L83-V87 VanDerWaalsContact O-CG2 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.39Å; L83-V87 PolarHBondContact O-N 2.89Å; L84-V87 PolarHBondContact O-N 3.05Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.01Å; V87-G91 CarbonylContact O-C 3.59Å; V87-G91 VanDerWaalsContact O-CA 3.23Å; V87-G91 WeakPolarHBondContact O-CA 3.4Å; V87-G91 PolarHBondContact O-N 3.44Å; V87-F92 HydrophobicContact CG1-CB 4.41Å; V87-W95 HydrophobicContact CG2-CH2 4.35Å; V87-W95 HydrophobicContact CG2-CZ3 3.76Å; V87-V98 HydrophobicContact CG2-CG1 4.03Å; V87-V98 HydrophobicContact CG2-CG2 4.08Å; V87-Y114 HydrophobicContact CB-CE2 4.34Å; V87-Y114 HydrophobicContact CG1-CE2 4.07Å; V87-Y114 HydrophobicContact CG2-CD2 4.1Å; V87-Y114 HydrophobicContact CG2-CE2 4.1Å
88	M	88.8	Confident	89.1	Confident	133 Å²	133	53.1 Å²	53.1	66%	0.655	29%	0.289	S	S	*	.	H	α-helix	trans	-64.3	-44	174.8	-177.5	179.8	65.9	0	0	111.5	L84 E85	L84-M88 WeakPolarHBondContact O-CB 3.4Å; L84-M88 PolarHBondContact O-N 3.41Å; E85-M88 WeakPolarHBondContact O-CB 3.36Å; E85-M88 PolarHBondContact O-N 3.06Å; E85-M88 VanDerWaalsContact O-N 3.12Å
89	D	86.8	Confident	89.4	Confident	68 Å²	68	48.4 Å²	48.4	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-74.8	-47	-178.1	-72	-17.5	0	0	0	112.6	E85 Q101	E85-D89 PolarHBondContact O-N 3.36Å; D89-Q101 PolarHBondContact OD2-NE2 2.93Å
90	C	89	Confident	89.4	Confident	36 Å²	36	51.7 Å²	51.7	24%	0.243	29%	0.287	C	S	.	.	H	α-helix	trans	-89.7	-14.5	-173.3	-63.7	0	0	0	0	113.7	A86 D97 V98 Q101	A86-C90 WeakPolarHBondContact O-CB 3.31Å; A86-C90 PolarHBondContact O-N 3.38Å; C90-D97 HydrophobicContact CB-CB 4.09Å; C90-V98 HydrophobicContact CB-CG2 3.86Å; C90-Q101 PolarHBondContact SG-OE1 2.93Å
91	G	85.4	Confident	89.3	Confident	34 Å²	34	54.4 Å²	54.4	35%	0.351	30%	0.299	S	S	.	.			trans	83.3	144	-176.7	0	0	0	0	0	113.9	V87 G93 N94	V87-G91 CarbonylContact O-C 3.59Å; V87-G91 VanDerWaalsContact O-CA 3.23Å; V87-G91 WeakPolarHBondContact O-CA 3.4Å; V87-G91 PolarHBondContact O-N 3.44Å; G91-G93 PolarHBondContact O-N 2.87Å; G91-N94 PolarHBondContact O-N 3.27Å
92	F	87.1	Confident	89.2	Confident	126 Å²	126	49.8 Å²	49.8	55%	0.553	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	131.9	178.2	177.5	-93.6	0	0	0	112.2	V87 W95 Y114 M115	V87-F92 HydrophobicContact CG1-CB 4.41Å; F92-W95 HydrophobicContact CD2-CH2 4.11Å; F92-W95 HydrophobicContact CD2-CZ2 4.11Å; F92-W95 HydrophobicContact CE2-CH2 4.23Å; F92-W95 HydrophobicContact CE2-CZ2 4.03Å; F92-Y114 HydrophobicContact CD2-CD1 4.29Å; F92-Y114 AromaticContact CD2-CE1 3.72Å; F92-Y114 HydrophobicContact CD2-CE1 3.72Å; F92-Y114 AromaticContact CE2-CD1 3.93Å; F92-Y114 HydrophobicContact CE2-CD1 3.93Å; F92-Y114 AromaticContact CE2-CE1 3.57Å; F92-Y114 HydrophobicContact CE2-CE1 3.57Å; F92-M115 HydrophobicContact CD2-CE 4.46Å; F92-M115 HydrophobicContact CE1-CE 4.33Å; F92-M115 HydrophobicContact CE2-CE 3.31Å; F92-M115 HydrophobicContact CE2-SD 4.42Å; F92-M115 HydrophobicContact CZ-CE 3.25Å; F92-M115 HydrophobicContact CZ-SD 4.26Å
93	G	84.2	Confident	89	Confident	46 Å²	46	53.5 Å²	53.5	47%	0.474	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-14.9	-177.7	0	0	0	0	0	114.4	G91 W95	G91-G93 PolarHBondContact O-N 2.87Å; G93-W95 VanDerWaalsContact C-N 3.29Å; G93-W95 PolarHBondContact O-N 3.32Å
94	N	90.8	Very high	88.6	Confident	62 Å²	62	57.5 Å²	57.5	33%	0.332	32%	0.324	S	S	.	.			trans	-89.8	57.8	175.4	-166.2	6.3	0	0	0	112.4	G91 Q96 D97 V98	G91-N94 PolarHBondContact O-N 3.27Å; N94-Q96 PolarHBondContact O-N 3.17Å; N94-Q96 VanDerWaalsContact O-N 3.11Å; N94-D97 PolarHBondContact ND2-OD2 2.51Å; N94-D97 PolarHBondContact O-N 3.01Å; N94-D97 PolarHBondContact OD1-OD2 2.89Å; N94-V98 WeakPolarHBondContact O-CG2 3.25Å; N94-V98 PolarHBondContact O-N 3.45Å; N94-V98 VanDerWaalsContact O-N 3.17Å
95	W	92.9	Very high	88.6	Confident	17 Å²	17	55.9 Å²	55.9	6%	0.064	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-21.9	-171.7	-55.3	117.3	0	0	0	114.7	V87 F92 G93 V98 A99 K107 C110 E111 Y114 M115	V87-W95 HydrophobicContact CG2-CH2 4.35Å; V87-W95 HydrophobicContact CG2-CZ3 3.76Å; F92-W95 HydrophobicContact CD2-CH2 4.11Å; F92-W95 HydrophobicContact CD2-CZ2 4.11Å; F92-W95 HydrophobicContact CE2-CH2 4.23Å; F92-W95 HydrophobicContact CE2-CZ2 4.03Å; G93-W95 VanDerWaalsContact C-N 3.29Å; G93-W95 PolarHBondContact O-N 3.32Å; W95-V98 HydrophobicContact CE3-CB 4.46Å; W95-V98 HydrophobicContact CE3-CG1 4.36Å; W95-V98 HydrophobicContact CE3-CG2 4.46Å; W95-A99 WeakPolarHBondContact O-CB 3.38Å; W95-A99 PolarHBondContact O-N 3.44Å; W95-K107 HydrophobicContact CB-CB 3.96Å; W95-K107 VanDerWaalsContact O-CB 3.3Å; W95-K107 WeakPolarHBondContact O-CB 2.97Å; W95-C110 HydrophobicContact CE3-CB 4.38Å; W95-E111 HydrophobicContact CB-CB 4.46Å; W95-E111 HydrophobicContact CD2-CB 3.67Å; W95-E111 HydrophobicContact CD2-CG 4.12Å; W95-E111 HydrophobicContact CE3-CB 4.22Å; W95-E111 HydrophobicContact CG-CB 3.74Å; W95-E111 HydrophobicContact CG-CG 4.21Å; W95-E111 HydrophobicContact CZ2-CB 4.46Å; W95-E111 HydrophobicContact CZ2-CG 4.23Å; W95-E111 PolarHBondContact NE1-OE1 3.25Å; W95-E111 VanDerWaalsContact NE1-OE1 3.1Å; W95-Y114 AromaticContact CH2-CD1 3.7Å; W95-Y114 HydrophobicContact CH2-CD1 3.7Å; W95-Y114 HydrophobicContact CH2-CD2 4.47Å; W95-Y114 HydrophobicContact CH2-CE1 4.41Å; W95-Y114 AromaticContact CH2-CG 3.73Å; W95-Y114 HydrophobicContact CH2-CG 3.73Å; W95-Y114 HydrophobicContact CZ3-CG 4.15Å; W95-M115 HydrophobicContact CH2-CE 4.16Å; W95-M115 HydrophobicContact CZ2-CE 3.44Å; W95-M115 VanDerWaalsContact CZ2-CE 3.44Å
96	Q	91.6	Very high	88.8	Confident	87 Å²	87	56.2 Å²	56.2	41%	0.407	32%	0.32	S	S	.	.	H	α-helix	trans	-67.3	-46.4	177.1	-172.6	65.9	63.5	0	0	111.1	N94 N100 K107	N94-Q96 PolarHBondContact O-N 3.17Å; N94-Q96 VanDerWaalsContact O-N 3.11Å; Q96-N100 PolarHBondContact O-N 2.96Å; Q96-N100 VanDerWaalsContact O-N 3.14Å; Q96-N100 PolarHBondContact O-ND2 2.95Å; Q96-N100 PolarHBondContact O-OD1 3.36Å; Q96-K107 VanDerWaalsContact OE1-CD 3.28Å
97	D	88.5	Confident	89	Confident	72 Å²	72	60 Å²	60	39%	0.385	34%	0.336	S	S	.	.	H	α-helix	trans	-75.4	-34.4	179	-68.7	-29	0	0	0	111.5	C90 N94 A99 N100 Q101	C90-D97 HydrophobicContact CB-CB 4.09Å; N94-D97 PolarHBondContact ND2-OD2 2.51Å; N94-D97 PolarHBondContact O-N 3.01Å; N94-D97 PolarHBondContact OD1-OD2 2.89Å; D97-A99 PolarHBondContact O-N 2.91Å; D97-N100 WeakPolarHBondContact O-CB 3.4Å; D97-N100 PolarHBondContact O-N 2.88Å; D97-Q101 PolarHBondContact O-N 3.14Å
98	V	90.9	Very high	89.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-57.6	-48.2	171.5	173.3	0	0	0	0	111.2	L83 A86 V87 C90 N94 W95 N100 Q101 M102 C110	L83-V98 HydrophobicContact CD1-CG1 3.77Å; A86-V98 HydrophobicContact CB-CB 4.42Å; A86-V98 HydrophobicContact CB-CG1 3.87Å; V87-V98 HydrophobicContact CG2-CG1 4.03Å; V87-V98 HydrophobicContact CG2-CG2 4.08Å; C90-V98 HydrophobicContact CB-CG2 3.86Å; N94-V98 WeakPolarHBondContact O-CG2 3.25Å; N94-V98 PolarHBondContact O-N 3.45Å; N94-V98 VanDerWaalsContact O-N 3.17Å; W95-V98 HydrophobicContact CE3-CB 4.46Å; W95-V98 HydrophobicContact CE3-CG1 4.36Å; W95-V98 HydrophobicContact CE3-CG2 4.46Å; V98-N100 VanDerWaalsContact C-N 3.34Å; V98-N100 PolarHBondContact O-N 2.81Å; V98-Q101 PolarHBondContact O-N 3.39Å; V98-M102 HydrophobicContact CG1-CG 4.46Å; V98-M102 WeakPolarHBondContact O-CB 3.37Å; V98-M102 VanDerWaalsContact O-CG 3.26Å; V98-M102 WeakPolarHBondContact O-CG 3.44Å; V98-M102 PolarHBondContact O-N 3.35Å; V98-C110 HydrophobicContact CG1-CB 4.39Å
99	A	92.3	Very high	89.3	Confident	10 Å²	10	62.8 Å²	62.8	8%	0.083	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-37.3	177.3	0	0	0	0	0	112.5	W95 D97 Q101 M102 C103 K107	W95-A99 WeakPolarHBondContact O-CB 3.38Å; W95-A99 PolarHBondContact O-N 3.44Å; D97-A99 PolarHBondContact O-N 2.91Å; A99-Q101 VanDerWaalsContact C-N 3.29Å; A99-Q101 PolarHBondContact O-N 3.34Å; A99-M102 PolarHBondContact O-N 3.26Å; A99-C103 PolarHBondContact O-N 3.16Å; A99-K107 HydrophobicContact CB-CB 4.01Å
100	N	90.3	Very high	89.5	Confident	97 Å²	97	59.5 Å²	59.5	52%	0.519	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-35.8	175.6	-68.3	-23.4	0	0	0	112	Q96 D97 V98 C103	Q96-N100 PolarHBondContact O-N 2.96Å; Q96-N100 VanDerWaalsContact O-N 3.14Å; Q96-N100 PolarHBondContact O-ND2 2.95Å; Q96-N100 PolarHBondContact O-OD1 3.36Å; D97-N100 WeakPolarHBondContact O-CB 3.4Å; D97-N100 PolarHBondContact O-N 2.88Å; V98-N100 VanDerWaalsContact C-N 3.34Å; V98-N100 PolarHBondContact O-N 2.81Å; N100-C103 PolarHBondContact O-SG 2.86Å
101	Q	88.4	Confident	89.7	Confident	69 Å²	69	62 Å²	62	32%	0.322	34%	0.337	S	S	.	.	H	α-helix	trans	-75.1	-38.5	176.1	-176.5	166.6	-13.3	0	0	111.9	A86 D89 C90 D97 V98 A99	A86-Q101 HydrophobicContact CB-CB 4.02Å; A86-Q101 HydrophobicContact CB-CG 3.96Å; D89-Q101 PolarHBondContact OD2-NE2 2.93Å; C90-Q101 PolarHBondContact SG-OE1 2.93Å; D97-Q101 PolarHBondContact O-N 3.14Å; V98-Q101 PolarHBondContact O-N 3.39Å; A99-Q101 VanDerWaalsContact C-N 3.29Å; A99-Q101 PolarHBondContact O-N 3.34Å
102	M	84.9	Confident	90.1	Very high	13 Å²	13	67.7 Å²	67.7	6%	0.064	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-37.2	177.4	-77.5	-70.2	-73.7	0	0	113.8	W75 E79 A82 L83 A86 V98 A99 T104 K105	W75-M102 HydrophobicContact CH2-CE 4.25Å; W75-M102 HydrophobicContact CZ3-CE 3.67Å; E79-M102 HydrophobicContact CB-CE 4.19Å; E79-M102 VanDerWaalsContact O-CE 3.31Å; E79-M102 WeakPolarHBondContact O-CE 3.49Å; A82-M102 HydrophobicContact CB-CE 4.31Å; A82-M102 HydrophobicContact CB-SD 3.43Å; A82-M102 WeakPolarHBondContact CB-SD 3.27Å; L83-M102 WeakPolarHBondContact CA-SD 3.43Å; L83-M102 HydrophobicContact CB-CE 3.96Å; L83-M102 HydrophobicContact CB-SD 3.99Å; L83-M102 PolarHBondContact N-SD 3.16Å; A86-M102 HydrophobicContact CB-CG 4.28Å; V98-M102 HydrophobicContact CG1-CG 4.46Å; V98-M102 WeakPolarHBondContact O-CB 3.37Å; V98-M102 VanDerWaalsContact O-CG 3.26Å; V98-M102 WeakPolarHBondContact O-CG 3.44Å; V98-M102 PolarHBondContact O-N 3.35Å; A99-M102 PolarHBondContact O-N 3.26Å; M102-T104 PolarHBondContact O-N 3.42Å; M102-K105 HydrophobicContact CE-CG 4.44Å
103	C	83.5	Confident	90.2	Very high	111 Å²	111	62.1 Å²	62.1	75%	0.75	33%	0.328	S	S	*	.	S	Bend	trans	59.2	-15.4	-176.4	-57.2	0	0	0	0	116.8	A99 N100	A99-C103 PolarHBondContact O-N 3.16Å; N100-C103 PolarHBondContact O-SG 2.86Å
104	T	84.7	Confident	90.5	Very high	84 Å²	84	61.7 Å²	61.7	52%	0.515	31%	0.313	S	S	.	.	S	Bend	trans	-103.5	-23.7	-174.8	58.7	0	0	0	0	114.3	E79 M102	E79-T104 WeakPolarHBondContact OE1-CB 3.28Å; E79-T104 PolarHBondContact OE1-OG1 3.27Å; M102-T104 PolarHBondContact O-N 3.42Å
105	K	89.8	Confident	90.4	Very high	40 Å²	40	60.8 Å²	60.8	17%	0.174	31%	0.307	C	S	.	.	S	Bend	trans	-128.3	153.1	-173.9	-59.9	-64.1	-171.1	-169.4	0	111.8	S74 W75 E79 M102 E109	S74-K105 PolarHBondContact O-NZ 3.04Å; W75-K105 HydrophobicContact CH2-CB 4.07Å; W75-K105 HydrophobicContact CH2-CD 4.42Å; W75-K105 HydrophobicContact CH2-CG 3.63Å; W75-K105 HydrophobicContact CZ2-CB 4.28Å; W75-K105 HydrophobicContact CZ2-CD 4.09Å; W75-K105 HydrophobicContact CZ2-CG 3.78Å; W75-K105 HydrophobicContact CZ3-CG 4.06Å; E79-K105 VanDerWaalsContact OE1-CE 3.23Å; E79-K105 WeakPolarHBondContact OE1-CE 3.31Å; E79-K105 IonicContact OE1-NZ 3.96Å; M102-K105 HydrophobicContact CE-CG 4.44Å; K105-E109 HydrophobicContact CB-CB 4.34Å
106	T	93.4	Very high	90.1	Very high	65 Å²	65	64.6 Å²	64.6	40%	0.399	32%	0.324	S	S	.	.			trans	-80.2	164.3	175.7	69.2	0	0	0	0	111.8	E108 E109 C110	T106-E108 VanDerWaalsContact C-N 3.28Å; T106-E108 PolarHBondContact O-N 3.18Å; T106-E108 PolarHBondContact OG1-OE2 2.92Å; T106-E109 PolarHBondContact N-OE2 3.01Å; T106-E109 PolarHBondContact O-N 2.95Å; T106-E109 VanDerWaalsContact OG1-CG 3.25Å; T106-E109 WeakPolarHBondContact OG1-CG 3.42Å; T106-E109 PolarHBondContact OG1-N 3.34Å; T106-E109 PolarHBondContact OG1-OE2 3.23Å; T106-C110 PolarHBondContact O-N 3Å; T106-C110 PolarHBondContact O-SG 3.33Å
107	K	94	Very high	89.7	Confident	78 Å²	78	61.2 Å²	61.2	34%	0.339	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-37.7	178.6	69.2	-179.7	174.6	-170.2	0	112.6	W95 Q96 A99 E109 C110 E111	W95-K107 HydrophobicContact CB-CB 3.96Å; W95-K107 VanDerWaalsContact O-CB 3.3Å; W95-K107 WeakPolarHBondContact O-CB 2.97Å; Q96-K107 VanDerWaalsContact OE1-CD 3.28Å; A99-K107 HydrophobicContact CB-CB 4.01Å; K107-E109 VanDerWaalsContact C-N 3.32Å; K107-C110 PolarHBondContact O-N 3.22Å; K107-E111 WeakPolarHBondContact O-CB 3.47Å; K107-E111 PolarHBondContact O-N 3Å
108	E	93.9	Very high	89.3	Confident	110 Å²	110	60 Å²	60	51%	0.514	30%	0.3	S	S	.	.	H	α-helix	trans	-68.8	-35.9	179.5	-62.7	79.6	-168	0	0	111	T106 K112	T106-E108 VanDerWaalsContact C-N 3.28Å; T106-E108 PolarHBondContact O-N 3.18Å; T106-E108 PolarHBondContact OG1-OE2 2.92Å; E108-K112 WeakPolarHBondContact O-CB 3.46Å; E108-K112 PolarHBondContact O-N 2.86Å
109	E	92.6	Very high	89	Confident	93 Å²	93	64 Å²	64	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-68.5	-47	175.2	-70.7	168.8	169.5	0	0	111.3	K105 T106 K107 K112 H113	K105-E109 HydrophobicContact CB-CB 4.34Å; T106-E109 PolarHBondContact N-OE2 3.01Å; T106-E109 PolarHBondContact O-N 2.95Å; T106-E109 VanDerWaalsContact OG1-CG 3.25Å; T106-E109 WeakPolarHBondContact OG1-CG 3.42Å; T106-E109 PolarHBondContact OG1-N 3.34Å; T106-E109 PolarHBondContact OG1-OE2 3.23Å; K107-E109 VanDerWaalsContact C-N 3.32Å; E109-K112 PolarHBondContact O-N 2.92Å; E109-H113 WeakPolarHBondContact O-CB 3.41Å; E109-H113 PolarHBondContact O-N 3.12Å
110	C	92.2	Very high	88.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-59.4	-49	176.7	-69.2	0	0	0	0	111.9	L83 W95 V98 T106 K107 Y114	L83-C110 HydrophobicContact CD1-CB 3.77Å; W95-C110 HydrophobicContact CE3-CB 4.38Å; V98-C110 HydrophobicContact CG1-CB 4.39Å; T106-C110 PolarHBondContact O-N 3Å; T106-C110 PolarHBondContact O-SG 3.33Å; K107-C110 PolarHBondContact O-N 3.22Å; C110-Y114 VanDerWaalsContact O-CB 3.26Å; C110-Y114 WeakPolarHBondContact O-CB 3.5Å; C110-Y114 PolarHBondContact O-N 3.45Å
111	E	93.1	Very high	87.2	Confident	87 Å²	87	69.3 Å²	69.3	41%	0.407	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-50.9	178.9	177.9	168.9	-151.5	0	0	111.2	W95 K107 H113 Y114 M115	W95-E111 HydrophobicContact CB-CB 4.46Å; W95-E111 HydrophobicContact CD2-CB 3.67Å; W95-E111 HydrophobicContact CD2-CG 4.12Å; W95-E111 HydrophobicContact CE3-CB 4.22Å; W95-E111 HydrophobicContact CG-CB 3.74Å; W95-E111 HydrophobicContact CG-CG 4.21Å; W95-E111 HydrophobicContact CZ2-CB 4.46Å; W95-E111 HydrophobicContact CZ2-CG 4.23Å; W95-E111 PolarHBondContact NE1-OE1 3.25Å; W95-E111 VanDerWaalsContact NE1-OE1 3.1Å; K107-E111 WeakPolarHBondContact O-CB 3.47Å; K107-E111 PolarHBondContact O-N 3Å; E111-H113 VanDerWaalsContact C-N 3.32Å; E111-H113 PolarHBondContact O-N 3.01Å; E111-Y114 PolarHBondContact O-N 3.06Å; E111-M115 HydrophobicContact CG-CG 4.36Å; E111-M115 WeakPolarHBondContact O-CB 3.26Å; E111-M115 WeakPolarHBondContact O-CG 3.36Å; E111-M115 PolarHBondContact O-N 2.76Å
112	K	92.1	Very high	86.1	Confident	155 Å²	155	68.7 Å²	68.7	67%	0.674	35%	0.349	S	S	*	.	H	α-helix	trans	-62.7	-41.9	-177.8	-175.6	179.8	178.7	-176	0	111.5	E108 E109 K116	E108-K112 WeakPolarHBondContact O-CB 3.46Å; E108-K112 PolarHBondContact O-N 2.86Å; E109-K112 PolarHBondContact O-N 2.92Å; K112-K116 WeakPolarHBondContact O-CB 3.2Å; K112-K116 PolarHBondContact O-N 3.05Å
113	H	90.2	Very high	84.7	Confident	9 Å²	9	72.6 Å²	72.6	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-65.5	-49.1	178.8	-171.4	69.4	0	0	0	111.3	W75 E80 E109 E111 M115 K116 H117	W75-H113 AromaticContact CD1-CE1 3.59Å; W75-H113 AromaticContact CD1-ND1 3.62Å; W75-H113 AromaticContact CD2-CD2 3.6Å; W75-H113 AromaticContact CD2-CE1 3.85Å; W75-H113 AromaticContact CD2-CG 3.85Å; W75-H113 AromaticContact CD2-NE2 3.6Å; W75-H113 AromaticContact CE2-CD2 3.64Å; W75-H113 AromaticContact CE2-CG 3.44Å; W75-H113 VanDerWaalsContact CE2-CG 3.44Å; W75-H113 AromaticContact CE2-ND1 3.77Å; W75-H113 AromaticContact CE3-CD2 3.76Å; W75-H113 AromaticContact CE3-NE2 3.89Å; W75-H113 AromaticContact CG-CE1 3.58Å; W75-H113 AromaticContact CG-ND1 3.98Å; W75-H113 AromaticContact CG-NE2 3.72Å; W75-H113 HydrophobicContact CH2-CB 4.15Å; W75-H113 HydrophobicContact CZ2-CB 3.51Å; W75-H113 AromaticContact CZ2-CD2 3.87Å; W75-H113 AromaticContact CZ2-CG 3.67Å; W75-H113 AromaticContact CZ3-CD2 3.96Å; W75-H113 AromaticContact NE1-CE1 3.88Å; W75-H113 AromaticContact NE1-CG 3.64Å; W75-H113 AromaticContact NE1-ND1 3.48Å; W75-H113 PolarHBondContact NE1-ND1 3.43Å; E80-H113 IonicContact OE1-CE1 2.64Å; E80-H113 PolarHBondContact OE1-CE1 2.94Å; E80-H113 IonicContact OE1-NE2 3.65Å; E80-H113 PolarHBondContact OE1-NE2 2.88Å; E80-H113 IonicContact OE2-CD2 3.25Å; E80-H113 IonicContact OE2-NE2 2.87Å; E80-H113 PolarHBondContact OE2-NE2 2.95Å; E109-H113 WeakPolarHBondContact O-CB 3.41Å; E109-H113 PolarHBondContact O-N 3.12Å; E111-H113 VanDerWaalsContact C-N 3.32Å; E111-H113 PolarHBondContact O-N 3.01Å; H113-M115 PolarHBondContact O-N 2.73Å; H113-K116 PolarHBondContact O-N 3.22Å; H113-H117 AromaticContact CE1-CD2 3.53Å; H113-H117 AromaticContact ND1-CD2 3.35Å; H113-H117 PolarHBondContact ND1-CD2 3.47Å; H113-H117 AromaticContact ND1-NE2 3.91Å; H113-H117 PolarHBondContact O-N 2.93Å
114	Y	89.4	Confident	83.3	Confident	37 Å²	37	71.4 Å²	71.4	15%	0.145	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-49.2	178.5	-168.9	-86.8	0	0	0	111.7	L83 L84 V87 F92 W95 C110 E111 K116 F118 I119	L83-Y114 HydrophobicContact CD2-CD2 4.33Å; L83-Y114 HydrophobicContact CG-CD2 4.48Å; L84-Y114 HydrophobicContact CD2-CE2 3.89Å; V87-Y114 HydrophobicContact CB-CE2 4.34Å; V87-Y114 HydrophobicContact CG1-CE2 4.07Å; V87-Y114 HydrophobicContact CG2-CD2 4.1Å; V87-Y114 HydrophobicContact CG2-CE2 4.1Å; F92-Y114 HydrophobicContact CD2-CD1 4.29Å; F92-Y114 AromaticContact CD2-CE1 3.72Å; F92-Y114 HydrophobicContact CD2-CE1 3.72Å; F92-Y114 AromaticContact CE2-CD1 3.93Å; F92-Y114 HydrophobicContact CE2-CD1 3.93Å; F92-Y114 AromaticContact CE2-CE1 3.57Å; F92-Y114 HydrophobicContact CE2-CE1 3.57Å; W95-Y114 AromaticContact CH2-CD1 3.7Å; W95-Y114 HydrophobicContact CH2-CD1 3.7Å; W95-Y114 HydrophobicContact CH2-CD2 4.47Å; W95-Y114 HydrophobicContact CH2-CE1 4.41Å; W95-Y114 AromaticContact CH2-CG 3.73Å; W95-Y114 HydrophobicContact CH2-CG 3.73Å; W95-Y114 HydrophobicContact CZ3-CG 4.15Å; C110-Y114 VanDerWaalsContact O-CB 3.26Å; C110-Y114 WeakPolarHBondContact O-CB 3.5Å; C110-Y114 PolarHBondContact O-N 3.45Å; E111-Y114 PolarHBondContact O-N 3.06Å; Y114-K116 VanDerWaalsContact C-N 3.34Å; Y114-K116 PolarHBondContact O-N 3.32Å; Y114-F118 HydrophobicContact CD2-CD2 4.18Å; Y114-F118 HydrophobicContact CD2-CG 4.45Å; Y114-F118 HydrophobicContact CE2-CB 4.45Å; Y114-F118 HydrophobicContact CE2-CG 4.5Å; Y114-F118 WeakPolarHBondContact O-CB 3.39Å; Y114-F118 PolarHBondContact O-N 2.99Å; Y114-I119 HydrophobicContact CD1-CG1 4.01Å; Y114-I119 HydrophobicContact CE1-CD1 3.89Å; Y114-I119 HydrophobicContact CE1-CG1 3.81Å; Y114-I119 PolarHBondContact O-N 3.12Å
115	M	89.3	Confident	81.7	Confident	43 Å²	43	71.1 Å²	71.1	21%	0.212	36%	0.358	C	S	.	.	I	π-helix	trans	-62.4	-41.3	179.1	-68.4	-63.3	153.9	0	0	112.2	F92 W95 E111 H113 I119 N120	F92-M115 HydrophobicContact CD2-CE 4.46Å; F92-M115 HydrophobicContact CE1-CE 4.33Å; F92-M115 HydrophobicContact CE2-CE 3.31Å; F92-M115 HydrophobicContact CE2-SD 4.42Å; F92-M115 HydrophobicContact CZ-CE 3.25Å; F92-M115 HydrophobicContact CZ-SD 4.26Å; W95-M115 HydrophobicContact CH2-CE 4.16Å; W95-M115 HydrophobicContact CZ2-CE 3.44Å; W95-M115 VanDerWaalsContact CZ2-CE 3.44Å; E111-M115 HydrophobicContact CG-CG 4.36Å; E111-M115 WeakPolarHBondContact O-CB 3.26Å; E111-M115 WeakPolarHBondContact O-CG 3.36Å; E111-M115 PolarHBondContact O-N 2.76Å; H113-M115 PolarHBondContact O-N 2.73Å; M115-I119 HydrophobicContact SD-CB 4.33Å; M115-I119 HydrophobicContact SD-CG1 4.07Å; M115-N120 VanDerWaalsContact O-CB 3.22Å; M115-N120 WeakPolarHBondContact O-CB 3.31Å; M115-N120 VanDerWaalsContact O-CG 3.25Å; M115-N120 PolarHBondContact O-N 3.22Å; M115-N120 PolarHBondContact O-ND2 2.87Å
116	K	87.1	Confident	79.8	Confident	96 Å²	96	74 Å²	74	42%	0.417	38%	0.383	S	S	.	.	I	π-helix	trans	-70.4	-46.8	-176.9	-179.7	-177.9	166.6	-136.2	0	112.1	D72 K112 H113 Y114 N121	D72-K116 IonicContact OD2-NZ 3.46Å; K112-K116 WeakPolarHBondContact O-CB 3.2Å; K112-K116 PolarHBondContact O-N 3.05Å; H113-K116 PolarHBondContact O-N 3.22Å; Y114-K116 VanDerWaalsContact C-N 3.34Å; Y114-K116 PolarHBondContact O-N 3.32Å; K116-N121 WeakPolarHBondContact O-CB 3.49Å; K116-N121 PolarHBondContact O-N 3.09Å; K116-N121 VanDerWaalsContact O-N 3.17Å
117	H	82.8	Confident	77.8	Confident	17 Å²	17	76.4 Å²	76.4	8%	0.079	40%	0.398	C	S	.	.	I	π-helix	trans	-98.1	-23.6	-168.3	-71	-84.4	0	0	0	114.5	L71 D72 H113	L71-H117 HydrophobicContact CD1-CB 4.24Å; D72-H117 IonicContact OD2-NE2 3.77Å; H113-H117 AromaticContact CE1-CD2 3.53Å; H113-H117 AromaticContact ND1-CD2 3.35Å; H113-H117 PolarHBondContact ND1-CD2 3.47Å; H113-H117 AromaticContact ND1-NE2 3.91Å; H113-H117 PolarHBondContact O-N 2.93Å
118	F	80.8	Confident	75.6	Confident	47 Å²	47	79.1 Å²	79.1	21%	0.206	42%	0.415	C	S	.	.	I	π-helix	trans	-109.8	-31.6	-177.9	-62.6	-91.6	0	0	0	113.6	L71 L84 Y114	L71-F118 HydrophobicContact CD1-CE1 4.39Å; L71-F118 HydrophobicContact CD1-CE2 4.07Å; L71-F118 HydrophobicContact CD1-CZ 3.75Å; L84-F118 HydrophobicContact CD1-CE1 3.97Å; L84-F118 HydrophobicContact CD1-CZ 4.28Å; L84-F118 HydrophobicContact CD2-CD1 4.05Å; L84-F118 HydrophobicContact CD2-CE1 3.77Å; L84-F118 HydrophobicContact CD2-CZ 4.06Å; L84-F118 HydrophobicContact CG-CE1 4.25Å; L84-F118 HydrophobicContact CG-CZ 4.3Å; Y114-F118 HydrophobicContact CD2-CD2 4.18Å; Y114-F118 HydrophobicContact CD2-CG 4.45Å; Y114-F118 HydrophobicContact CE2-CB 4.45Å; Y114-F118 HydrophobicContact CE2-CG 4.5Å; Y114-F118 WeakPolarHBondContact O-CB 3.39Å; Y114-F118 PolarHBondContact O-N 2.99Å
119	I	84.3	Confident	73.3	Confident	84 Å²	84	78.7 Å²	78.7	43%	0.431	42%	0.416	S	S	.	.	I	π-helix	trans	-99.9	-57.8	-178.4	-56.8	-60.4	0	0	0	112.5	Y114 M115	Y114-I119 HydrophobicContact CD1-CG1 4.01Å; Y114-I119 HydrophobicContact CE1-CD1 3.89Å; Y114-I119 HydrophobicContact CE1-CG1 3.81Å; Y114-I119 PolarHBondContact O-N 3.12Å; M115-I119 HydrophobicContact SD-CB 4.33Å; M115-I119 HydrophobicContact SD-CG1 4.07Å
120	N	78.4	Confident	70.9	Confident	125 Å²	125	82.2 Å²	82.2	67%	0.668	44%	0.438	S	S	*	.	I	π-helix	trans	-84.3	-30.8	-168.2	-67.4	-32.1	0	0	0	113.5	M115	M115-N120 VanDerWaalsContact O-CB 3.22Å; M115-N120 WeakPolarHBondContact O-CB 3.31Å; M115-N120 VanDerWaalsContact O-CG 3.25Å; M115-N120 PolarHBondContact O-N 3.22Å; M115-N120 PolarHBondContact O-ND2 2.87Å
121	N	67.4	Low	68.6	Low	93 Å²	93	88.2 Å²	88.2	50%	0.497	47%	0.47	S	S	.	.			trans	-138.3	72.9	176.7	-170.5	12.6	0	0	0	109.9	K116 L123	K116-N121 WeakPolarHBondContact O-CB 3.49Å; K116-N121 PolarHBondContact O-N 3.09Å; K116-N121 VanDerWaalsContact O-N 3.17Å; N121-L123 PolarHBondContact O-N 3.38Å
122	P	64.4	Low	66.2	Low	56 Å²	56	93.2 Å²	93.2	36%	0.364	49%	0.49	S	S	.	.			trans	-69.1	89.3	174.6	30.1	-32.7	0	0	0	107.9	F124 A125	P122-F124 PolarHBondContact O-N 3.47Å; P122-A125 HydrophobicContact CG-CB 4.41Å; P122-A125 WeakPolarHBondContact O-CB 3.37Å; P122-A125 PolarHBondContact O-N 2.87Å
123	L	55.8	Low	63.9	Low	95 Å²	95	94.2 Å²	94.2	50%	0.497	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-52.2	-22.3	170.4	-73.1	165.5	0	0	0	111.2	N121 A125 S126	N121-L123 PolarHBondContact O-N 3.38Å; L123-A125 VanDerWaalsContact C-N 3.31Å; L123-A125 PolarHBondContact O-N 3.45Å; L123-S126 PolarHBondContact O-OG 3.31Å
124	F	54.1	Low	61.6	Low	85 Å²	85	97.9 Å²	97.9	37%	0.373	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-67.1	-15	174.1	-73.2	-84.3	0	0	0	116.3	L71 P122 S126 L128	L71-F124 HydrophobicContact CD1-CE2 4.29Å; L71-F124 HydrophobicContact CD2-CE2 3.99Å; L71-F124 HydrophobicContact CD2-CZ 4.36Å; P122-F124 PolarHBondContact O-N 3.47Å; F124-S126 PolarHBondContact O-N 3.08Å; F124-L128 HydrophobicContact CD1-CD1 4.22Å; F124-L128 HydrophobicContact CE1-CD1 4.03Å
125	A	50.4	Low	59.5	Low	78 Å²	78	104.9 Å²	104.9	65%	0.645	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-68	-14.4	-179.9	0	0	0	0	0	113.7	P122 L123	P122-A125 HydrophobicContact CG-CB 4.41Å; P122-A125 WeakPolarHBondContact O-CB 3.37Å; P122-A125 PolarHBondContact O-N 2.87Å; L123-A125 VanDerWaalsContact C-N 3.31Å; L123-A125 PolarHBondContact O-N 3.45Å
126	S	50.2	Low	57.4	Low	100 Å²	100	110.8 Å²	110.8	70%	0.699	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-19	-174.1	59.7	0	0	0	0	116.1	L123 F124	L123-S126 PolarHBondContact O-OG 3.31Å; F124-S126 PolarHBondContact O-N 3.08Å
127	T	50.8	Low	55.2	Low	116 Å²	116	110.1 Å²	110.1	71%	0.712	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	-25.2	-165.9	-29.5	0	0	0	0	116.7
128	L	47.9	Very low	53.5	Low	135 Å²	135	118.5 Å²	118.5	71%	0.707	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	-16.3	-176.5	-74.6	174.9	0	0	0	115	F124	F124-L128 HydrophobicContact CD1-CD1 4.22Å; F124-L128 HydrophobicContact CE1-CD1 4.03Å
129	L	45.4	Very low	51.8	Low	101 Å²	101	121.4 Å²	121.4	53%	0.529	66%	0.66	S	S	.	*			trans	-112.7	90.9	169.4	-71.1	163.4	0	0	0	107.5	L131	L129-L131 HydrophobicContact CB-CB 4.3Å; L129-L131 HydrophobicContact CB-CD1 3.96Å; L129-L131 HydrophobicContact CB-CG 3.98Å; L129-L131 HydrophobicContact CD1-CD1 3.93Å; L129-L131 HydrophobicContact CD2-CD1 4.23Å; L129-L131 HydrophobicContact CD2-CG 4.18Å; L129-L131 HydrophobicContact CG-CD1 4.26Å; L129-L131 HydrophobicContact CG-CG 4.5Å; L129-L131 PolarHBondContact O-N 3.14Å
130	N	42	Very low	50	Low	168 Å²	168	122.2 Å²	122.2	90%	0.898	68%	0.679	S	S	*	*			trans	-64.7	52	142.9	-86.7	-22.5	0	0	0	108.7	K132	N130-K132 PolarHBondContact O-N 2.88Å
131	L	44.6	Very low	48.6	Very low	126 Å²	126	122.4 Å²	122.4	66%	0.66	68%	0.68	S	S	*	*			trans	-57.7	100.3	142	-77.3	163.7	0	0	0	101.5	L129 Q133	L129-L131 HydrophobicContact CB-CB 4.3Å; L129-L131 HydrophobicContact CB-CD1 3.96Å; L129-L131 HydrophobicContact CB-CG 3.98Å; L129-L131 HydrophobicContact CD1-CD1 3.93Å; L129-L131 HydrophobicContact CD2-CD1 4.23Å; L129-L131 HydrophobicContact CD2-CG 4.18Å; L129-L131 HydrophobicContact CG-CD1 4.26Å; L129-L131 HydrophobicContact CG-CG 4.5Å; L129-L131 PolarHBondContact O-N 3.14Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.2Å
132	K	42.6	Very low	47.8	Very low	191 Å²	191	123.5 Å²	123.5	83%	0.83	69%	0.69	S	S	*	*			trans	-37.6	115.4	156.1	-76.8	-179.4	174.6	-179.7	0	103.1	N130 A134	N130-K132 PolarHBondContact O-N 2.88Å; K132-A134 PolarHBondContact O-N 3.01Å
133	Q	43.8	Very low	47.2	Very low	177 Å²	177	125.3 Å²	125.3	83%	0.827	71%	0.71	S	S	*	*			trans	-46.7	103.4	159.9	-77	175	-14.8	0	0	101.7	L131 E135	L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.2Å; Q133-E135 PolarHBondContact O-N 3.3Å
134	A	43	Very low	47.2	Very low	86 Å²	86	127.8 Å²	127.8	71%	0.711	72%	0.723	S	S	*	*			trans	-56.2	108.1	176.4	0	0	0	0	0	100	K132 E136	K132-A134 PolarHBondContact O-N 3.01Å; A134-E136 WeakPolarHBondContact O-CA 3.26Å; A134-E136 PolarHBondContact O-N 3.05Å
135	E	45.4	Very low	47.1	Very low	184 Å²	184	127.7 Å²	127.7	86%	0.86	73%	0.73	S	S	*	*			trans	-36.4	112.9	-172.4	-79.4	175.9	134.8	0	0	104.6	Q133 A137	Q133-E135 PolarHBondContact O-N 3.3Å; E135-A137 VanDerWaalsContact C-N 3.28Å; E135-A137 WeakPolarHBondContact O-CA 3.45Å; E135-A137 PolarHBondContact O-N 2.9Å
136	E	44.3	Very low	46.9	Very low	167 Å²	167	130.9 Å²	130.9	78%	0.78	73%	0.73	S	S	*	*			trans	-40.1	106.9	-173.2	-71.2	171.6	149.5	0	0	104.9	A134 K138	A134-E136 WeakPolarHBondContact O-CA 3.26Å; A134-E136 PolarHBondContact O-N 3.05Å; E136-K138 PolarHBondContact O-N 3.4Å
137	A	40.5	Very low	47.1	Very low	81 Å²	81	132.7 Å²	132.7	67%	0.669	73%	0.727	S	S	*	*			trans	-62.9	101.8	-176.9	0	0	0	0	0	101.7	E135 T139	E135-A137 VanDerWaalsContact C-N 3.28Å; E135-A137 WeakPolarHBondContact O-CA 3.45Å; E135-A137 PolarHBondContact O-N 2.9Å; A137-T139 PolarHBondContact O-N 2.91Å
138	K	46.6	Very low	47	Very low	194 Å²	194	131.5 Å²	131.5	84%	0.843	72%	0.723	S	S	*	*	S	Bend	trans	-70.6	65.4	176.5	-78.1	-176.6	178.5	176.1	0	106.7	E136	E136-K138 PolarHBondContact O-N 3.4Å
139	T	45.8	Very low	47.4	Very low	108 Å²	108	128.3 Å²	128.3	66%	0.663	71%	0.71	S	S	*	*			trans	-151.2	48.7	167	57.8	0	0	0	0	106.1	A137 D141	A137-T139 PolarHBondContact O-N 2.91Å; T139-D141 PolarHBondContact O-N 3.4Å; T139-D141 VanDerWaalsContact O-N 3.08Å
140	A	46	Very low	48.2	Very low	100 Å²	100	130.4 Å²	130.4	83%	0.826	72%	0.721	S	S	*	*			trans	-74	65.2	140.3	0	0	0	0	0	106.7	T142	A140-T142 PolarHBondContact O-N 3.48Å; A140-T142 VanDerWaalsContact O-N 3.14Å
141	D	48.7	Very low	49.3	Very low	129 Å²	129	126.7 Å²	126.7	69%	0.69	70%	0.701	S	S	*	*			trans	-54.9	118.9	147.2	-95.6	-22.5	0	0	0	103.5	T139 A143	T139-D141 PolarHBondContact O-N 3.4Å; T139-D141 VanDerWaalsContact O-N 3.08Å; D141-A143 PolarHBondContact O-N 2.86Å
142	T	51.9	Low	50.4	Low	116 Å²	116	122.4 Å²	122.4	71%	0.712	68%	0.681	S	S	*	*			trans	-23.9	124.9	165.1	38	0	0	0	0	110	A140 I144	A140-T142 PolarHBondContact O-N 3.48Å; A140-T142 VanDerWaalsContact O-N 3.14Å; T142-I144 PolarHBondContact O-N 2.9Å
143	A	50.8	Low	51.8	Low	95 Å²	95	114 Å²	114	79%	0.785	65%	0.646	S	S	*	*			trans	-38.2	109	175.6	0	0	0	0	0	108.3	D141 P145	D141-A143 PolarHBondContact O-N 2.86Å; A143-P145 WeakPolarHBondContact O-CD 3.44Å
144	I	57.5	Low	53.4	Low	147 Å²	147	110.1 Å²	110.1	75%	0.754	62%	0.624	S	S	*	*			trans	-54.5	116.2	-172.9	-62.9	170.8	0	0	0	104.9	T142 F146	T142-I144 PolarHBondContact O-N 2.9Å; I144-F146 PolarHBondContact O-N 3.11Å
145	P	50.3	Low	55	Low	82 Å²	82	107.5 Å²	107.5	53%	0.532	60%	0.6	S	S	.	*			trans	-53.4	117.6	-178.7	-25.6	33.6	0	0	0	107.6	A143 H147	A143-P145 WeakPolarHBondContact O-CD 3.44Å; P145-H147 PolarHBondContact O-CD2 2.93Å; P145-H147 VanDerWaalsContact O-CD2 3.31Å; P145-H147 PolarHBondContact O-N 3.12Å
146	F	47.6	Very low	56.6	Low	146 Å²	146	104 Å²	104	64%	0.64	59%	0.591	S	S	*	*			trans	-65	106.2	179.1	173.7	-95	0	0	0	107.6	I144	I144-F146 PolarHBondContact O-N 3.11Å
147	H	54.1	Low	58	Low	138 Å²	138	103.7 Å²	103.7	64%	0.639	59%	0.587	S	S	*	*			trans	-91.5	122.3	167.2	-58.4	-56	0	0	0	106.9	P145 T149	P145-H147 PolarHBondContact O-CD2 2.93Å; P145-H147 VanDerWaalsContact O-CD2 3.31Å; P145-H147 PolarHBondContact O-N 3.12Å; H147-T149 VanDerWaalsContact C-N 3.3Å; H147-T149 PolarHBondContact O-N 3.45Å
148	S	48.7	Very low	59.9	Low	91 Å²	91	105.6 Å²	105.6	64%	0.636	59%	0.586	S	S	*	*			trans	-60.6	98.7	170.4	-174.3	0	0	0	0	107.9
149	T	56.3	Low	61.7	Low	68 Å²	68	97.7 Å²	97.7	42%	0.417	56%	0.555	S	S	.	*			trans	-85	136	172.6	51.1	0	0	0	0	109.5	H147 D151 R154	H147-T149 VanDerWaalsContact C-N 3.3Å; H147-T149 PolarHBondContact O-N 3.45Å; T149-D151 PolarHBondContact O-N 3.47Å; T149-D151 PolarHBondContact OG1-O 2.82Å; T149-R154 PolarHBondContact OG1-NH2 3.15Å
150	D	62.2	Low	63.4	Low	145 Å²	145	99 Å²	99	78%	0.775	56%	0.558	S	S	*	*	S	Bend	trans	-70.9	-9.2	173.1	-70.2	-37.1	0	0	0	112.8	P152 P153	D150-P152 CarbonylContact O-C 3.46Å; D150-P153 WeakPolarHBondContact O-CA 3.38Å; D150-P153 WeakPolarHBondContact O-CD 3.5Å
151	D	65.4	Low	65	Low	89 Å²	89	97.3 Å²	97.3	48%	0.476	53%	0.534	S	S	.	.	S	Bend	trans	-128.4	117.5	178.4	-151.7	-9.3	0	0	0	110	T149 K235	T149-D151 PolarHBondContact O-N 3.47Å; T149-D151 PolarHBondContact OG1-O 2.82Å; D151-K235 IonicContact OD2-NZ 3.5Å; D151-K235 PolarHBondContact OD2-NZ 3.31Å
152	P	66.2	Low	66.6	Low	37 Å²	37	92.2 Å²	92.2	24%	0.24	51%	0.509	C	S	.	.	S	Bend	cis	-67.4	141	-9.9	25.2	-30.2	0	0	0	111.9	D150 R154 Y168 P170	D150-P152 CarbonylContact O-C 3.46Å; P152-R154 PolarHBondContact O-N 3.45Å; P152-Y168 HydrophobicContact CB-CE1 4Å; P152-Y168 HydrophobicContact CG-CE1 4.26Å; P152-P170 HydrophobicContact CB-CB 4.3Å; P152-P170 HydrophobicContact CG-CB 4.01Å
153	P	72.3	Confident	68	Low	15 Å²	15	95.6 Å²	95.6	10%	0.097	51%	0.509	C	S	.	.			trans	-59.2	136.8	-177.2	21.8	-31.6	0	0	0	110.3	D150 P155 L161 M165 P170	D150-P153 WeakPolarHBondContact O-CA 3.38Å; D150-P153 WeakPolarHBondContact O-CD 3.5Å; P153-P155 WeakPolarHBondContact O-CD 3.49Å; P153-L161 HydrophobicContact CB-CD2 4.11Å; P153-M165 HydrophobicContact CB-SD 4.5Å; P153-M165 HydrophobicContact CG-CE 4.22Å; P153-M165 HydrophobicContact CG-SD 3.83Å; P153-M165 WeakPolarHBondContact O-CE 3.49Å; P153-P170 WeakPolarHBondContact O-CG 3.25Å
154	R	77.8	Confident	69.6	Low	94 Å²	94	95.8 Å²	95.8	36%	0.355	50%	0.497	S	S	.	.			trans	-102.1	78.5	173.7	-88.3	176.4	-97.6	-106.8	-6.1	110.3	T149 P152 P170	T149-R154 PolarHBondContact OG1-NH2 3.15Å; P152-R154 PolarHBondContact O-N 3.45Å; R154-P170 HydrophobicContact CG-CB 3.58Å; R154-P170 HydrophobicContact CG-CG 3.83Å
155	P	77.1	Confident	70.8	Confident	31 Å²	31	89.1 Å²	89.1	20%	0.201	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-62.9	151.3	175.5	26.3	-33.5	0	0	0	110.9	P153 S159 L161 M165	P153-P155 WeakPolarHBondContact O-CD 3.49Å; P155-S159 VanDerWaalsContact CB-OG 3.27Å; P155-S159 WeakPolarHBondContact CB-OG 3.38Å; P155-L161 HydrophobicContact CB-CB 3.99Å; P155-L161 HydrophobicContact CB-CD2 4.11Å; P155-L161 HydrophobicContact CB-CG 4.06Å; P155-L161 HydrophobicContact CG-CG 4.39Å; P155-M165 HydrophobicContact CG-SD 3.63Å
156	T	78.6	Confident	72.5	Confident	110 Å²	110	88.9 Å²	88.9	68%	0.675	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-61	147.1	163.7	49.3	0	0	0	0	109.7	S159	T156-S159 VanDerWaalsContact O-CB 3.31Å; T156-S159 WeakPolarHBondContact O-CB 3.21Å; T156-S159 PolarHBondContact O-N 3.02Å; T156-S159 PolarHBondContact O-OG 3.41Å
157	F	74.7	Confident	74.3	Confident	161 Å²	161	82.8 Å²	82.8	71%	0.706	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	140.9	177	-165	-95.6	0	0	0	110.4	S159	F157-S159 PolarHBondContact O-N 3.06Å
158	D	78.9	Confident	75.9	Confident	121 Å²	121	77.5 Å²	77.5	65%	0.647	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	5.5	-176.8	-64.2	-32	0	0	0	117.8
159	S	84.6	Confident	77.6	Confident	28 Å²	28	76.6 Å²	76.6	20%	0.196	41%	0.406	C	S	.	.			trans	-65.6	159.3	172.5	67.6	0	0	0	0	112.3	P155 T156 F157 L161 S162 R163	P155-S159 VanDerWaalsContact CB-OG 3.27Å; P155-S159 WeakPolarHBondContact CB-OG 3.38Å; T156-S159 VanDerWaalsContact O-CB 3.31Å; T156-S159 WeakPolarHBondContact O-CB 3.21Å; T156-S159 PolarHBondContact O-N 3.02Å; T156-S159 PolarHBondContact O-OG 3.41Å; F157-S159 PolarHBondContact O-N 3.06Å; S159-L161 PolarHBondContact O-N 3.3Å; S159-S162 WeakPolarHBondContact O-CB 3.38Å; S159-S162 PolarHBondContact O-N 3.25Å; S159-S162 PolarHBondContact OG-N 3.09Å; S159-R163 PolarHBondContact O-N 3.34Å
160	L	82.3	Confident	78.9	Confident	135 Å²	135	74.5 Å²	74.5	71%	0.707	39%	0.394	S	S	*	.	H	α-helix	trans	-53.9	-40.5	174.4	-69.9	174.4	0	0	0	111.8	S162 R163 D164	L160-S162 PolarHBondContact O-N 3.17Å; L160-R163 WeakPolarHBondContact O-CB 3.16Å; L160-R163 PolarHBondContact O-N 2.87Å; L160-D164 VanDerWaalsContact O-CG 3.27Å; L160-D164 PolarHBondContact O-N 3.04Å
161	L	79.4	Confident	79.8	Confident	65 Å²	65	71.6 Å²	71.6	34%	0.34	39%	0.391	S	S	.	.	H	α-helix	trans	-66.1	-37.6	177.6	-175.4	63.5	0	0	0	112	P153 P155 S159 R163 D164 M165	P153-L161 HydrophobicContact CB-CD2 4.11Å; P155-L161 HydrophobicContact CB-CB 3.99Å; P155-L161 HydrophobicContact CB-CD2 4.11Å; P155-L161 HydrophobicContact CB-CG 4.06Å; P155-L161 HydrophobicContact CG-CG 4.39Å; S159-L161 PolarHBondContact O-N 3.3Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 2.99Å; L161-D164 PolarHBondContact O-N 3.26Å; L161-M165 HydrophobicContact CG-SD 4.23Å; L161-M165 WeakPolarHBondContact O-CB 3.35Å; L161-M165 WeakPolarHBondContact O-CG 3.34Å; L161-M165 PolarHBondContact O-N 3.35Å
162	S	81.5	Confident	80.6	Confident	22 Å²	22	75.1 Å²	75.1	15%	0.154	40%	0.397	C	S	.	.	H	α-helix	trans	-62.3	-38	173.4	-172.4	0	0	0	0	112.2	S159 L160 M165	S159-S162 WeakPolarHBondContact O-CB 3.38Å; S159-S162 PolarHBondContact O-N 3.25Å; S159-S162 PolarHBondContact OG-N 3.09Å; L160-S162 PolarHBondContact O-N 3.17Å; S162-M165 PolarHBondContact O-N 3.09Å
163	R	81.9	Confident	81.4	Confident	187 Å²	187	76.4 Å²	76.4	71%	0.706	41%	0.411	S	S	*	.	H	α-helix	trans	-69.8	-41.7	176.2	-70.5	171.8	56.5	144.5	0.9	111.8	S159 L160 L161 M165 A166	S159-R163 PolarHBondContact O-N 3.34Å; L160-R163 WeakPolarHBondContact O-CB 3.16Å; L160-R163 PolarHBondContact O-N 2.87Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 2.99Å; R163-M165 PolarHBondContact O-N 3.09Å; R163-A166 PolarHBondContact O-N 3.11Å
164	D	83.2	Confident	82.1	Confident	100 Å²	100	76.9 Å²	76.9	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-27.7	176.6	-69.8	-14.1	0	0	0	112.1	L160 L161 A166	L160-D164 VanDerWaalsContact O-CG 3.27Å; L160-D164 PolarHBondContact O-N 3.04Å; L161-D164 PolarHBondContact O-N 3.26Å; D164-A166 PolarHBondContact O-N 3.42Å
165	M	84	Confident	82.6	Confident	7 Å²	7	74.1 Å²	74.1	3%	0.034	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	5.6	174.7	-70.3	173.9	63.7	0	0	113.9	P153 P155 L161 S162 R163 G167 Y168 P170 I231	P153-M165 HydrophobicContact CB-SD 4.5Å; P153-M165 HydrophobicContact CG-CE 4.22Å; P153-M165 HydrophobicContact CG-SD 3.83Å; P153-M165 WeakPolarHBondContact O-CE 3.49Å; P155-M165 HydrophobicContact CG-SD 3.63Å; L161-M165 HydrophobicContact CG-SD 4.23Å; L161-M165 WeakPolarHBondContact O-CB 3.35Å; L161-M165 WeakPolarHBondContact O-CG 3.34Å; L161-M165 PolarHBondContact O-N 3.35Å; S162-M165 PolarHBondContact O-N 3.09Å; R163-M165 PolarHBondContact O-N 3.09Å; M165-G167 PolarHBondContact O-N 3.38Å; M165-G167 VanDerWaalsContact O-N 3.14Å; M165-Y168 HydrophobicContact CE-CD1 3.61Å; M165-Y168 HydrophobicContact CE-CG 4.42Å; M165-Y168 VanDerWaalsContact O-CB 3.28Å; M165-Y168 WeakPolarHBondContact O-CB 3.42Å; M165-Y168 PolarHBondContact O-N 3.49Å; M165-P170 HydrophobicContact CE-CG 3.88Å; M165-I231 HydrophobicContact CE-CG2 3.82Å; M165-I231 HydrophobicContact CG-CG2 4.5Å
166	A	85.1	Confident	83.1	Confident	76 Å²	76	77.2 Å²	77.2	63%	0.628	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	38.6	175.7	0	0	0	0	0	114	R163 D164 Y168	R163-A166 PolarHBondContact O-N 3.11Å; D164-A166 PolarHBondContact O-N 3.42Å; A166-Y168 VanDerWaalsContact C-N 3.33Å; A166-Y168 PolarHBondContact O-N 3.05Å
167	G	86	Confident	83.6	Confident	18 Å²	18	79.2 Å²	79.2	19%	0.186	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	15.2	179.9	0	0	0	0	0	114.7	M165 M169 I176	M165-G167 PolarHBondContact O-N 3.38Å; M165-G167 VanDerWaalsContact O-N 3.14Å; G167-M169 PolarHBondContact O-N 2.77Å; G167-I176 WeakPolarHBondContact O-CG1 3.32Å; G167-I176 PolarHBondContact O-N 2.87Å
168	Y	87.4	Confident	84.1	Confident	27 Å²	27	74 Å²	74	11%	0.106	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	129.7	169.3	-175.6	-104.6	0	0	0	110.9	P152 M165 A166 P170 A173 D174 F175 I231	P152-Y168 HydrophobicContact CB-CE1 4Å; P152-Y168 HydrophobicContact CG-CE1 4.26Å; M165-Y168 HydrophobicContact CE-CD1 3.61Å; M165-Y168 HydrophobicContact CE-CG 4.42Å; M165-Y168 VanDerWaalsContact O-CB 3.28Å; M165-Y168 WeakPolarHBondContact O-CB 3.42Å; M165-Y168 PolarHBondContact O-N 3.49Å; A166-Y168 VanDerWaalsContact C-N 3.33Å; A166-Y168 PolarHBondContact O-N 3.05Å; Y168-P170 HydrophobicContact CD1-CG 4.17Å; Y168-P170 HydrophobicContact CE1-CB 4.31Å; Y168-P170 HydrophobicContact CE1-CG 4.3Å; Y168-P170 WeakPolarHBondContact O-CD 3.44Å; Y168-A173 WeakPolarHBondContact OH-CA 3.15Å; Y168-D174 CarbonylContact C-O 3.59Å; Y168-D174 WeakPolarHBondContact CA-O 3.45Å; Y168-D174 WeakPolarHBondContact CD2-O 3.38Å; Y168-F175 HydrophobicContact CD2-CD1 4.3Å; Y168-F175 HydrophobicContact CD2-CD2 4.07Å; Y168-F175 AromaticContact CD2-CE1 3.93Å; Y168-F175 HydrophobicContact CD2-CE1 3.93Å; Y168-F175 AromaticContact CD2-CE2 3.67Å; Y168-F175 HydrophobicContact CD2-CE2 3.67Å; Y168-F175 HydrophobicContact CD2-CG 4.36Å; Y168-F175 AromaticContact CD2-CZ 3.58Å; Y168-F175 HydrophobicContact CD2-CZ 3.58Å; Y168-F175 HydrophobicContact CE2-CE2 4.24Å; Y168-F175 HydrophobicContact CE2-CZ 4.42Å; Y168-F175 HydrophobicContact CG-CE1 4.27Å; Y168-F175 HydrophobicContact CG-CZ 4.28Å; Y168-I231 HydrophobicContact CD1-CD1 4.32Å; Y168-I231 HydrophobicContact CD1-CG2 3.6Å; Y168-I231 HydrophobicContact CD2-CD1 4.37Å; Y168-I231 HydrophobicContact CE1-CD1 3.79Å; Y168-I231 HydrophobicContact CE1-CG1 4.49Å; Y168-I231 HydrophobicContact CE1-CG2 3.95Å; Y168-I231 HydrophobicContact CE2-CD1 3.86Å; Y168-I231 HydrophobicContact CG-CG2 4.07Å
169	M	85.6	Confident	84.6	Confident	72 Å²	72	72.2 Å²	72.2	36%	0.355	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	101	177.6	-62.3	-171.6	76.3	0	0	109.9	G167 A171 R172 A173 D174 I176	G167-M169 PolarHBondContact O-N 2.77Å; M169-A171 VanDerWaalsContact C-N 3.32Å; M169-A171 PolarHBondContact O-N 2.67Å; M169-R172 HydrophobicContact CB-CB 4.36Å; M169-R172 PolarHBondContact O-N 2.65Å; M169-R172 VanDerWaalsContact O-N 3.14Å; M169-A173 PolarHBondContact O-N 3.08Å; M169-D174 PolarHBondContact N-O 3.38Å; M169-D174 PolarHBondContact O-N 3.06Å; M169-I176 HydrophobicContact CG-CD1 4.33Å; M169-I176 HydrophobicContact CG-CG1 3.76Å; M169-I176 HydrophobicContact SD-CG1 3.77Å
170	P	82.6	Confident	84.9	Confident	24 Å²	24	73.6 Å²	73.6	16%	0.156	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-35.3	-172.7	-26.9	36	0	0	0	114.8	P152 P153 R154 M165 Y168 R172 A173	P152-P170 HydrophobicContact CB-CB 4.3Å; P152-P170 HydrophobicContact CG-CB 4.01Å; P153-P170 WeakPolarHBondContact O-CG 3.25Å; R154-P170 HydrophobicContact CG-CB 3.58Å; R154-P170 HydrophobicContact CG-CG 3.83Å; M165-P170 HydrophobicContact CE-CG 3.88Å; Y168-P170 HydrophobicContact CD1-CG 4.17Å; Y168-P170 HydrophobicContact CE1-CB 4.31Å; Y168-P170 HydrophobicContact CE1-CG 4.3Å; Y168-P170 WeakPolarHBondContact O-CD 3.44Å; P170-R172 VanDerWaalsContact C-N 3.31Å; P170-R172 PolarHBondContact O-N 2.69Å; P170-A173 PolarHBondContact O-N 3.14Å
171	A	80.4	Confident	85.3	Confident	85 Å²	85	70.2 Å²	70.2	70%	0.702	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-27.2	-178.7	0	0	0	0	0	113.1	M169	M169-A171 VanDerWaalsContact C-N 3.32Å; M169-A171 PolarHBondContact O-N 2.67Å
172	R	83.6	Confident	85.9	Confident	162 Å²	162	74.5 Å²	74.5	61%	0.611	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.6	177.7	-73.1	-180	53.2	-176.1	-9.4	113.2	M169 P170 D174	M169-R172 HydrophobicContact CB-CB 4.36Å; M169-R172 PolarHBondContact O-N 2.65Å; M169-R172 VanDerWaalsContact O-N 3.14Å; P170-R172 VanDerWaalsContact C-N 3.31Å; P170-R172 PolarHBondContact O-N 2.69Å; R172-D174 HydrophobicContact CB-CB 3.83Å; R172-D174 IonicContact CZ-OD2 3.61Å; R172-D174 IonicContact NH2-OD2 3.78Å; R172-D174 PolarHBondContact NH2-OD2 3.41Å; R172-D174 PolarHBondContact O-N 3.22Å
173	A	81.7	Confident	86.3	Confident	65 Å²	65	73.5 Å²	73.5	54%	0.537	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	41.3	-167.3	0	0	0	0	0	112.6	Y168 M169 P170	Y168-A173 WeakPolarHBondContact OH-CA 3.15Å; M169-A173 PolarHBondContact O-N 3.08Å; P170-A173 PolarHBondContact O-N 3.14Å
174	D	87.1	Confident	86.7	Confident	25 Å²	25	68 Å²	68	13%	0.134	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	167.2	-167.6	-156.7	6.3	0	0	0	112.2	Y168 M169 R172 K222	Y168-D174 CarbonylContact C-O 3.59Å; Y168-D174 WeakPolarHBondContact CA-O 3.45Å; Y168-D174 WeakPolarHBondContact CD2-O 3.38Å; M169-D174 PolarHBondContact N-O 3.38Å; M169-D174 PolarHBondContact O-N 3.06Å; R172-D174 HydrophobicContact CB-CB 3.83Å; R172-D174 IonicContact CZ-OD2 3.61Å; R172-D174 IonicContact NH2-OD2 3.78Å; R172-D174 PolarHBondContact NH2-OD2 3.41Å; R172-D174 PolarHBondContact O-N 3.22Å; D174-K222 WeakPolarHBondContact OD1-CE 3.42Å; D174-K222 IonicContact OD1-NZ 3.15Å; D174-K222 PolarHBondContact OD1-NZ 3.46Å
175	F	88.7	Confident	87	Confident	36 Å²	36	70.9 Å²	70.9	16%	0.158	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	146.8	177	-68.7	-94.7	0	0	0	111	Y168 E177 K222 I225	Y168-F175 HydrophobicContact CD2-CD1 4.3Å; Y168-F175 HydrophobicContact CD2-CD2 4.07Å; Y168-F175 AromaticContact CD2-CE1 3.93Å; Y168-F175 HydrophobicContact CD2-CE1 3.93Å; Y168-F175 AromaticContact CD2-CE2 3.67Å; Y168-F175 HydrophobicContact CD2-CE2 3.67Å; Y168-F175 HydrophobicContact CD2-CG 4.36Å; Y168-F175 AromaticContact CD2-CZ 3.58Å; Y168-F175 HydrophobicContact CD2-CZ 3.58Å; Y168-F175 HydrophobicContact CE2-CE2 4.24Å; Y168-F175 HydrophobicContact CE2-CZ 4.42Å; Y168-F175 HydrophobicContact CG-CE1 4.27Å; Y168-F175 HydrophobicContact CG-CZ 4.28Å; F175-E177 VanDerWaalsContact C-N 3.35Å; F175-E177 WeakPolarHBondContact CB-O 3.27Å; F175-K222 HydrophobicContact CD2-CG 4.42Å; F175-K222 HydrophobicContact CE2-CG 4.45Å; F175-I225 HydrophobicContact CE2-CD1 4.2Å; F175-I225 HydrophobicContact CZ-CD1 3.95Å; F175-I225 HydrophobicContact CZ-CG2 4.17Å
176	I	87.9	Confident	87.1	Confident	96 Å²	96	74.4 Å²	74.4	49%	0.492	38%	0.382	S	S	.	.	S	Bend	trans	-64.2	-43.4	173.3	-67.3	166	0	0	0	110.5	G167 M169	G167-I176 WeakPolarHBondContact O-CG1 3.32Å; G167-I176 PolarHBondContact O-N 2.87Å; M169-I176 HydrophobicContact CG-CD1 4.33Å; M169-I176 HydrophobicContact CG-CG1 3.76Å; M169-I176 HydrophobicContact SD-CG1 3.77Å
177	E	88	Confident	87.4	Confident	151 Å²	151	72.9 Å²	72.9	71%	0.706	36%	0.363	S	S	*	.	S	Bend	trans	-111.8	122.2	174.4	-68.8	-176	171.2	0	0	109.4	F175	F175-E177 VanDerWaalsContact C-N 3.35Å; F175-E177 WeakPolarHBondContact CB-O 3.27Å
178	E	87	Confident	87.6	Confident	52 Å²	52	80.3 Å²	80.3	24%	0.243	39%	0.385	C	S	.	.			trans	-88.2	163.7	178	-61.6	-161.5	138.9	0	0	112.3	D180 N181 R218 K222	E178-D180 PolarHBondContact O-N 3.45Å; E178-N181 PolarHBondContact N-OD1 3.13Å; E178-N181 VanDerWaalsContact N-OD1 3.17Å; E178-N181 PolarHBondContact O-N 3.41Å; E178-R218 WeakPolarHBondContact OE2-CD 3.28Å; E178-R218 IonicContact OE2-CZ 2.76Å; E178-R218 VanDerWaalsContact OE2-CZ 3.29Å; E178-R218 IonicContact OE2-NE 2.82Å; E178-R218 PolarHBondContact OE2-NE 3.19Å; E178-R218 IonicContact OE2-NH1 3.41Å; E178-R218 PolarHBondContact OE2-NH1 3.03Å; E178-K222 WeakPolarHBondContact OE1-CE 3.38Å; E178-K222 IonicContact OE1-NZ 3.69Å; E178-K222 PolarHBondContact OE1-NZ 2.99Å
179	F	89	Confident	87.7	Confident	83 Å²	83	85.6 Å²	85.6	36%	0.364	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	126.4	166.6	168.4	-114.9	0	0	0	109.8	E217 R218 R221	F179-E217 HydrophobicContact CD1-CB 4.44Å; F179-E217 HydrophobicContact CD1-CG 3.89Å; F179-E217 HydrophobicContact CE1-CB 4.19Å; F179-E217 HydrophobicContact CE1-CG 3.53Å; F179-E217 HydrophobicContact CZ-CG 4.42Å; F179-R218 HydrophobicContact CB-CG 4.17Å; F179-R218 HydrophobicContact CD1-CG 4.23Å; F179-R218 WeakPolarHBondContact O-CD 3.21Å; F179-R218 VanDerWaalsContact O-CG 3.24Å; F179-R218 WeakPolarHBondContact O-CG 3.48Å; F179-R218 PolarHBondContact O-NE 3.23Å; F179-R221 VanDerWaalsContact CE2-CZ 3.4Å; F179-R221 VanDerWaalsContact CE2-NH2 3.25Å
180	D	89.9	Confident	88	Confident	57 Å²	57	84.4 Å²	84.4	31%	0.305	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	55.4	-174.8	-167.6	17.4	0	0	0	112	E178 Y182 A183 R214 R218	E178-D180 PolarHBondContact O-N 3.45Å; D180-Y182 PolarHBondContact O-N 3.15Å; D180-A183 WeakPolarHBondContact O-CB 3.39Å; D180-A183 PolarHBondContact O-N 3.35Å; D180-R214 IonicContact OD1-NH1 2.65Å; D180-R214 WeakPolarHBondContact OD2-CD 3.42Å; D180-R214 IonicContact OD2-CZ 2.65Å; D180-R214 IonicContact OD2-NE 2.92Å; D180-R214 PolarHBondContact OD2-NE 2.82Å; D180-R214 IonicContact OD2-NH1 3.97Å; D180-R214 PolarHBondContact OD2-NH1 3.15Å; D180-R218 PolarHBondContact O-NH2 3.08Å
181	N	90.9	Very high	88.5	Confident	64 Å²	64	87.9 Å²	87.9	34%	0.342	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-17.5	-171.9	-166.8	75.2	0	0	0	115.5	E178	E178-N181 PolarHBondContact N-OD1 3.13Å; E178-N181 VanDerWaalsContact N-OD1 3.17Å; E178-N181 PolarHBondContact O-N 3.41Å
182	Y	91.9	Very high	89	Confident	156 Å²	156	88.9 Å²	88.9	61%	0.612	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	10.6	-177.4	-56.4	-67.8	0	0	0	113.2	D180 E184 W185	D180-Y182 PolarHBondContact O-N 3.15Å; Y182-E184 PolarHBondContact O-N 3.44Å; Y182-E184 VanDerWaalsContact O-N 3.07Å; Y182-W185 AromaticContact CD1-CD1 3.97Å; Y182-W185 AromaticContact CD1-NE1 3.63Å; Y182-W185 VanDerWaalsContact O-CB 3.26Å; Y182-W185 WeakPolarHBondContact O-CB 3.49Å; Y182-W185 PolarHBondContact O-N 3.44Å
183	A	90.4	Very high	89.5	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-56.7	-28.3	-177.4	0	0	0	0	0	113.7	D180 W185 D186 Y211 R214 R218	D180-A183 WeakPolarHBondContact O-CB 3.39Å; D180-A183 PolarHBondContact O-N 3.35Å; A183-W185 PolarHBondContact O-N 2.92Å; A183-D186 PolarHBondContact O-N 3.4Å; A183-Y211 HydrophobicContact CB-CD2 3.95Å; A183-Y211 HydrophobicContact CB-CE2 4.04Å; A183-R214 HydrophobicContact CB-CB 4.43Å; A183-R218 VanDerWaalsContact CB-NH2 3.32Å
184	E	90.3	Very high	89.8	Confident	72 Å²	72	91 Å²	91	34%	0.336	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-64.6	-23.8	176.2	-70	69.5	-159.4	0	0	112.9	Y182 D186 L187 R188 Y211 R218	Y182-E184 PolarHBondContact O-N 3.44Å; Y182-E184 VanDerWaalsContact O-N 3.07Å; E184-D186 PolarHBondContact O-N 3.02Å; E184-L187 PolarHBondContact O-N 3.25Å; E184-L187 VanDerWaalsContact O-N 3.12Å; E184-R188 PolarHBondContact O-N 3.42Å; E184-Y211 HydrophobicContact CG-CE2 3.97Å; E184-Y211 WeakPolarHBondContact OE1-CE2 3.48Å; E184-Y211 PolarHBondContact OE1-OH 3.34Å; E184-R218 IonicContact OE1-CZ 3.09Å; E184-R218 IonicContact OE1-NH1 3.31Å; E184-R218 PolarHBondContact OE1-NH1 3.41Å; E184-R218 IonicContact OE1-NH2 3.13Å; E184-R218 PolarHBondContact OE1-NH2 3.5Å; E184-R218 IonicContact OE2-CZ 3.5Å; E184-R218 IonicContact OE2-NH1 3.52Å; E184-R218 IonicContact OE2-NH2 2.77Å; E184-R218 PolarHBondContact OE2-NH2 2.98Å
185	W	89.3	Confident	90	Very high	161 Å²	161	97.2 Å²	97.2	61%	0.61	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-64.9	-31.2	177.9	-74.2	64.1	0	0	0	112.1	Y182 A183 L187 R188	Y182-W185 AromaticContact CD1-CD1 3.97Å; Y182-W185 AromaticContact CD1-NE1 3.63Å; Y182-W185 VanDerWaalsContact O-CB 3.26Å; Y182-W185 WeakPolarHBondContact O-CB 3.49Å; Y182-W185 PolarHBondContact O-N 3.44Å; A183-W185 PolarHBondContact O-N 2.92Å; W185-L187 PolarHBondContact O-N 2.98Å; W185-R188 WeakPolarHBondContact O-CB 3.18Å; W185-R188 PolarHBondContact O-N 2.93Å
186	D	86.6	Confident	90.3	Very high	81 Å²	81	97 Å²	97	43%	0.433	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-67	-18.7	177.7	-62.6	-23.5	0	0	0	111.9	A183 E184 I190 R214	A183-D186 PolarHBondContact O-N 3.4Å; E184-D186 PolarHBondContact O-N 3.02Å; D186-I190 WeakPolarHBondContact O-CD1 3.07Å; D186-R214 IonicContact OD2-CZ 2.83Å; D186-R214 IonicContact OD2-NH1 2.79Å; D186-R214 PolarHBondContact OD2-NH1 3.38Å; D186-R214 IonicContact OD2-NH2 3.32Å; D186-R214 PolarHBondContact OD2-NH2 2.96Å
187	L	90.7	Very high	90.6	Very high	43 Å²	43	95.8 Å²	95.8	23%	0.225	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-99.9	-9.9	177.9	-62.4	-175.7	0	0	0	113.7	E184 W185 D189 I190 V207 V208 Y211	E184-L187 PolarHBondContact O-N 3.25Å; E184-L187 VanDerWaalsContact O-N 3.12Å; W185-L187 PolarHBondContact O-N 2.98Å; L187-D189 VanDerWaalsContact C-N 3.27Å; L187-D189 PolarHBondContact O-N 3.25Å; L187-I190 HydrophobicContact CD2-CD1 3.89Å; L187-I190 PolarHBondContact O-N 3.41Å; L187-I190 VanDerWaalsContact O-N 3.15Å; L187-V207 HydrophobicContact CD2-CG1 3.99Å; L187-V208 HydrophobicContact CD2-CG2 4.17Å; L187-Y211 HydrophobicContact CD1-CD1 3.33Å; L187-Y211 HydrophobicContact CD1-CD2 3.88Å; L187-Y211 HydrophobicContact CD1-CE1 3.7Å; L187-Y211 HydrophobicContact CD1-CE2 4.24Å; L187-Y211 HydrophobicContact CD1-CG 3.41Å; L187-Y211 VanDerWaalsContact CD1-CG 3.41Å; L187-Y211 HydrophobicContact CG-CD1 4.43Å; L187-Y211 HydrophobicContact CG-CD2 4.34Å; L187-Y211 HydrophobicContact CG-CG 4.07Å
188	R	90.7	Very high	91	Very high	175 Å²	175	95.5 Å²	95.5	66%	0.66	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-43.5	-168.9	-179.3	-173.2	172.7	174.1	-1.5	112.8	E184 W185	E184-R188 PolarHBondContact O-N 3.42Å; W185-R188 WeakPolarHBondContact O-CB 3.18Å; W185-R188 PolarHBondContact O-N 2.93Å
189	D	89.4	Confident	91.4	Very high	138 Å²	138	99.9 Å²	99.9	74%	0.738	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	20.5	-173.3	-54.8	-40.6	0	0	0	111.7	L187	L187-D189 VanDerWaalsContact C-N 3.27Å; L187-D189 PolarHBondContact O-N 3.25Å
190	I	91.6	Very high	91.7	Very high	47 Å²	47	99.2 Å²	99.2	24%	0.241	49%	0.487	C	S	.	.			trans	-97.1	115.6	175.7	-59	-174.5	0	0	0	109.5	D186 L187 F192 K204 V207	D186-I190 WeakPolarHBondContact O-CD1 3.07Å; L187-I190 HydrophobicContact CD2-CD1 3.89Å; L187-I190 PolarHBondContact O-N 3.41Å; L187-I190 VanDerWaalsContact O-N 3.15Å; I190-F192 HydrophobicContact CG2-CE2 4.22Å; I190-F192 HydrophobicContact CG2-CZ 4.48Å; I190-K204 HydrophobicContact CG2-CB 4.19Å; I190-K204 HydrophobicContact CG2-CD 4.43Å; I190-K204 HydrophobicContact CG2-CG 4.1Å; I190-V207 HydrophobicContact CD1-CB 3.69Å; I190-V207 HydrophobicContact CD1-CG1 3.48Å; I190-V207 VanDerWaalsContact CD1-CG1 3.48Å; I190-V207 HydrophobicContact CD1-CG2 4.23Å
191	D	92.8	Very high	91.9	Very high	97 Å²	97	100.7 Å²	100.7	52%	0.519	49%	0.492	S	S	.	.			trans	-114.2	158.3	169.8	60.5	-13	0	0	0	110.2	K204	D191-K204 VanDerWaalsContact O-CD 3.24Å; D191-K204 WeakPolarHBondContact O-CD 3.42Å; D191-K204 WeakPolarHBondContact O-CE 3.48Å; D191-K204 PolarHBondContact O-NZ 2.95Å; D191-K204 IonicContact OD1-NZ 3.29Å; D191-K204 PolarHBondContact OD1-NZ 3.42Å
192	F	92.5	Very high	92.1	Very high	106 Å²	106	100.4 Å²	100.4	47%	0.465	50%	0.498	S	S	.	.			trans	-114.9	122.1	173.1	-71.1	-88.6	0	0	0	108.4	I190 H201 K204 M205 V208	I190-F192 HydrophobicContact CG2-CE2 4.22Å; I190-F192 HydrophobicContact CG2-CZ 4.48Å; F192-H201 AromaticContact CD1-ND1 3.99Å; F192-K204 HydrophobicContact CD1-CB 4.45Å; F192-K204 HydrophobicContact CD1-CD 4.34Å; F192-K204 HydrophobicContact CE1-CB 3.73Å; F192-K204 HydrophobicContact CE1-CD 4.44Å; F192-K204 HydrophobicContact CZ-CB 4.06Å; F192-M205 HydrophobicContact CE1-CG 4.43Å; F192-M205 HydrophobicContact CE1-SD 3.96Å; F192-M205 HydrophobicContact CZ-SD 4.1Å; F192-V208 HydrophobicContact CE2-CG2 4.48Å; F192-V208 HydrophobicContact CZ-CG2 4.14Å
193	V	93.6	Very high	92.3	Very high	71 Å²	71	98.2 Å²	98.2	43%	0.43	50%	0.497	S	S	.	.			trans	-120.8	142.3	-178.4	-173.7	0	0	0	0	108.7	D195 D196	V193-D195 PolarHBondContact O-N 3.22Å; V193-D196 PolarHBondContact N-OD2 2.96Å; V193-D196 VanDerWaalsContact N-OD2 3.12Å; V193-D196 VanDerWaalsContact O-CB 3.3Å; V193-D196 WeakPolarHBondContact O-CB 3.31Å; V193-D196 VanDerWaalsContact O-CG 3.24Å; V193-D196 PolarHBondContact O-N 3.37Å; V193-D196 VanDerWaalsContact O-N 3.1Å
194	E	87.4	Confident	92.5	Very high	200 Å²	200	99.2 Å²	99.2	94%	0.935	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.7	-176.9	-64.5	-172.7	168.8	0	0	113.3	D196	E194-D196 VanDerWaalsContact C-N 3.31Å; E194-D196 PolarHBondContact O-N 2.96Å
195	D	92.1	Very high	92.8	Very high	156 Å²	156	99.4 Å²	99.4	83%	0.834	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	6.2	178	-64.8	-31.9	0	0	0	113.7	V193 S197	V193-D195 PolarHBondContact O-N 3.22Å; D195-S197 PolarHBondContact O-N 3.36Å
196	D	93.3	Very high	93.1	Very high	30 Å²	30	93.9 Å²	93.9	16%	0.16	49%	0.491	C	S	.	.			trans	-61	128.7	177.1	-79	-28.9	0	0	0	110.7	V193 E194 L200 H201 K204	V193-D196 PolarHBondContact N-OD2 2.96Å; V193-D196 VanDerWaalsContact N-OD2 3.12Å; V193-D196 VanDerWaalsContact O-CB 3.3Å; V193-D196 WeakPolarHBondContact O-CB 3.31Å; V193-D196 VanDerWaalsContact O-CG 3.24Å; V193-D196 PolarHBondContact O-N 3.37Å; V193-D196 VanDerWaalsContact O-N 3.1Å; E194-D196 VanDerWaalsContact C-N 3.31Å; E194-D196 PolarHBondContact O-N 2.96Å; D196-L200 WeakPolarHBondContact OD1-CD2 3.36Å; D196-H201 HydrophobicContact CB-CB 4.46Å; D196-K204 VanDerWaalsContact CG-NZ 3.26Å; D196-K204 IonicContact OD1-NZ 2.86Å; D196-K204 PolarHBondContact OD1-NZ 3.26Å; D196-K204 IonicContact OD2-NZ 3.38Å; D196-K204 PolarHBondContact OD2-NZ 2.74Å
197	S	95.3	Very high	93.5	Very high	72 Å²	72	92 Å²	92	50%	0.503	48%	0.482	S	S	.	.			trans	-58.6	146.5	170	68.4	0	0	0	0	110.8	D195 I199 L200 H201	D195-S197 PolarHBondContact O-N 3.36Å; S197-I199 PolarHBondContact O-N 2.94Å; S197-L200 WeakPolarHBondContact O-CA 3.33Å; S197-L200 WeakPolarHBondContact O-CB 3.45Å; S197-L200 PolarHBondContact O-N 2.98Å; S197-L200 WeakPolarHBondContact OG-CB 3.35Å; S197-L200 PolarHBondContact OG-N 2.91Å; S197-H201 PolarHBondContact O-N 3.35Å
198	D	95.5	Very high	93.7	Very high	145 Å²	145	92.1 Å²	92.1	78%	0.775	49%	0.485	S	S	*	.	H	α-helix	trans	-50.5	-37	-179.9	-64.6	-29.8	0	0	0	113.2	A202	D198-A202 VanDerWaalsContact O-CB 3.3Å; D198-A202 WeakPolarHBondContact O-CB 3.28Å; D198-A202 PolarHBondContact O-N 3.1Å
199	I	96.3	Very high	94	Very high	143 Å²	143	88.5 Å²	88.5	73%	0.733	48%	0.479	S	S	*	.	H	α-helix	trans	-67.7	-43.5	178.2	-61.1	172.8	0	0	0	111	S197 A202 L203	S197-I199 PolarHBondContact O-N 2.94Å; I199-A202 PolarHBondContact O-N 3.31Å; I199-L203 WeakPolarHBondContact O-CB 3.06Å; I199-L203 PolarHBondContact O-N 3.23Å
200	L	94.3	Very high	94.2	Very high	69 Å²	69	86.3 Å²	86.3	36%	0.361	47%	0.466	S	S	.	.	H	α-helix	trans	-67	-42.8	177.9	-179	59.3	0	0	0	110.7	D196 S197 A202 L203 K204	D196-L200 WeakPolarHBondContact OD1-CD2 3.36Å; S197-L200 WeakPolarHBondContact O-CA 3.33Å; S197-L200 WeakPolarHBondContact O-CB 3.45Å; S197-L200 PolarHBondContact O-N 2.98Å; S197-L200 WeakPolarHBondContact OG-CB 3.35Å; S197-L200 PolarHBondContact OG-N 2.91Å; L200-A202 PolarHBondContact O-N 3Å; L200-L203 WeakPolarHBondContact O-CB 3.35Å; L200-L203 PolarHBondContact O-N 3.24Å; L200-K204 HydrophobicContact CG-CD 4.35Å; L200-K204 WeakPolarHBondContact O-CG 3.23Å; L200-K204 PolarHBondContact O-N 3.13Å
201	H	95	Very high	94.3	Very high	88 Å²	88	86.3 Å²	86.3	41%	0.407	46%	0.463	S	S	.	.	H	α-helix	trans	-59	-46.9	174.2	-173.4	85.5	0	0	0	111.4	F192 D196 S197 L203 K204 M205	F192-H201 AromaticContact CD1-ND1 3.99Å; D196-H201 HydrophobicContact CB-CB 4.46Å; S197-H201 PolarHBondContact O-N 3.35Å; H201-L203 VanDerWaalsContact C-N 3.32Å; H201-L203 PolarHBondContact O-N 3.25Å; H201-K204 PolarHBondContact O-N 3.4Å; H201-M205 WeakPolarHBondContact O-CG 3.42Å; H201-M205 PolarHBondContact O-N 3.44Å
202	A	95.9	Very high	94.4	Very high	58 Å²	58	85.9 Å²	85.9	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-61.5	-37.8	176.1	0	0	0	0	0	112.7	D198 I199 L200 A206	D198-A202 VanDerWaalsContact O-CB 3.3Å; D198-A202 WeakPolarHBondContact O-CB 3.28Å; D198-A202 PolarHBondContact O-N 3.1Å; I199-A202 PolarHBondContact O-N 3.31Å; L200-A202 PolarHBondContact O-N 3Å; A202-A206 WeakPolarHBondContact O-CB 3.4Å; A202-A206 PolarHBondContact O-N 3.39Å
203	L	95.5	Very high	94.5	Very high	111 Å²	111	84.5 Å²	84.5	58%	0.581	46%	0.461	S	S	*	.	H	α-helix	trans	-64.6	-47.2	174.8	-172.1	76.9	0	0	0	111.3	I199 L200 H201 M205 A206 V207	I199-L203 WeakPolarHBondContact O-CB 3.06Å; I199-L203 PolarHBondContact O-N 3.23Å; L200-L203 WeakPolarHBondContact O-CB 3.35Å; L200-L203 PolarHBondContact O-N 3.24Å; H201-L203 VanDerWaalsContact C-N 3.32Å; H201-L203 PolarHBondContact O-N 3.25Å; L203-M205 VanDerWaalsContact C-N 3.33Å; L203-M205 PolarHBondContact O-N 3.37Å; L203-A206 WeakPolarHBondContact O-CB 3.45Å; L203-A206 PolarHBondContact O-N 3.17Å; L203-A206 VanDerWaalsContact O-N 3.16Å; L203-V207 WeakPolarHBondContact O-CG2 3.27Å; L203-V207 PolarHBondContact O-N 3.19Å; L203-V207 VanDerWaalsContact O-N 3.07Å
204	K	95.5	Very high	94.6	Very high	20 Å²	20	84.2 Å²	84.2	9%	0.087	45%	0.453	C	S	.	.	H	α-helix	trans	-58.2	-45.4	176.7	-70.7	174.9	174.5	-175	0	110.9	I190 D191 F192 D196 L200 H201 A206 V207 V208	I190-K204 HydrophobicContact CG2-CB 4.19Å; I190-K204 HydrophobicContact CG2-CD 4.43Å; I190-K204 HydrophobicContact CG2-CG 4.1Å; D191-K204 VanDerWaalsContact O-CD 3.24Å; D191-K204 WeakPolarHBondContact O-CD 3.42Å; D191-K204 WeakPolarHBondContact O-CE 3.48Å; D191-K204 PolarHBondContact O-NZ 2.95Å; D191-K204 IonicContact OD1-NZ 3.29Å; D191-K204 PolarHBondContact OD1-NZ 3.42Å; F192-K204 HydrophobicContact CD1-CB 4.45Å; F192-K204 HydrophobicContact CD1-CD 4.34Å; F192-K204 HydrophobicContact CE1-CB 3.73Å; F192-K204 HydrophobicContact CE1-CD 4.44Å; F192-K204 HydrophobicContact CZ-CB 4.06Å; D196-K204 VanDerWaalsContact CG-NZ 3.26Å; D196-K204 IonicContact OD1-NZ 2.86Å; D196-K204 PolarHBondContact OD1-NZ 3.26Å; D196-K204 IonicContact OD2-NZ 3.38Å; D196-K204 PolarHBondContact OD2-NZ 2.74Å; L200-K204 HydrophobicContact CG-CD 4.35Å; L200-K204 WeakPolarHBondContact O-CG 3.23Å; L200-K204 PolarHBondContact O-N 3.13Å; H201-K204 PolarHBondContact O-N 3.4Å; K204-A206 PolarHBondContact O-N 3.43Å; K204-V207 PolarHBondContact O-N 3.31Å; K204-V208 WeakPolarHBondContact O-CG2 3.49Å; K204-V208 PolarHBondContact O-N 3.31Å; K204-V208 VanDerWaalsContact O-N 3.12Å
205	M	95.5	Very high	94.9	Very high	77 Å²	77	77.5 Å²	77.5	38%	0.379	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-42.2	174.7	-72.1	-57.3	-60.3	0	0	112.7	F192 H201 L203 V207 V208 D209	F192-M205 HydrophobicContact CE1-CG 4.43Å; F192-M205 HydrophobicContact CE1-SD 3.96Å; F192-M205 HydrophobicContact CZ-SD 4.1Å; H201-M205 WeakPolarHBondContact O-CG 3.42Å; H201-M205 PolarHBondContact O-N 3.44Å; L203-M205 VanDerWaalsContact C-N 3.33Å; L203-M205 PolarHBondContact O-N 3.37Å; M205-V207 VanDerWaalsContact C-N 3.3Å; M205-V207 PolarHBondContact O-N 2.81Å; M205-V208 PolarHBondContact O-N 2.65Å; M205-D209 PolarHBondContact O-N 2.82Å
206	A	95.9	Very high	95	Very high	44 Å²	44	76.2 Å²	76.2	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-62.1	-36.6	176.7	0	0	0	0	0	112.5	A202 L203 K204 D209 I210	A202-A206 WeakPolarHBondContact O-CB 3.4Å; A202-A206 PolarHBondContact O-N 3.39Å; L203-A206 WeakPolarHBondContact O-CB 3.45Å; L203-A206 PolarHBondContact O-N 3.17Å; L203-A206 VanDerWaalsContact O-N 3.16Å; K204-A206 PolarHBondContact O-N 3.43Å; A206-D209 PolarHBondContact O-N 2.93Å; A206-I210 WeakPolarHBondContact O-CD1 3.31Å; A206-I210 VanDerWaalsContact O-CG1 3.25Å; A206-I210 WeakPolarHBondContact O-CG1 3.15Å; A206-I210 PolarHBondContact O-N 3.32Å
207	V	95.2	Very high	95	Very high	41 Å²	41	77.3 Å²	77.3	25%	0.248	41%	0.414	C	S	.	.	H	α-helix	trans	-66.5	-42.1	174.7	-176.1	0	0	0	0	111.2	L187 I190 L203 K204 M205 D209 I210 Y211	L187-V207 HydrophobicContact CD2-CG1 3.99Å; I190-V207 HydrophobicContact CD1-CB 3.69Å; I190-V207 HydrophobicContact CD1-CG1 3.48Å; I190-V207 VanDerWaalsContact CD1-CG1 3.48Å; I190-V207 HydrophobicContact CD1-CG2 4.23Å; L203-V207 WeakPolarHBondContact O-CG2 3.27Å; L203-V207 PolarHBondContact O-N 3.19Å; L203-V207 VanDerWaalsContact O-N 3.07Å; K204-V207 PolarHBondContact O-N 3.31Å; M205-V207 VanDerWaalsContact C-N 3.3Å; M205-V207 PolarHBondContact O-N 2.81Å; V207-D209 VanDerWaalsContact C-N 3.32Å; V207-D209 PolarHBondContact O-N 2.81Å; V207-I210 WeakPolarHBondContact O-CB 3.38Å; V207-I210 PolarHBondContact O-N 2.99Å; V207-Y211 PolarHBondContact O-N 2.8Å
208	V	95.1	Very high	94.9	Very high	46 Å²	46	74.3 Å²	74.3	28%	0.279	39%	0.392	S	S	.	.	H	α-helix	trans	-60.9	-41.3	174.4	175.3	0	0	0	0	111.3	L187 F192 K204 M205 I210 Y211 H212	L187-V208 HydrophobicContact CD2-CG2 4.17Å; F192-V208 HydrophobicContact CE2-CG2 4.48Å; F192-V208 HydrophobicContact CZ-CG2 4.14Å; K204-V208 WeakPolarHBondContact O-CG2 3.49Å; K204-V208 PolarHBondContact O-N 3.31Å; K204-V208 VanDerWaalsContact O-N 3.12Å; M205-V208 PolarHBondContact O-N 2.65Å; V208-I210 PolarHBondContact O-N 3.44Å; V208-Y211 WeakPolarHBondContact O-CB 3.43Å; V208-Y211 PolarHBondContact O-N 3.06Å; V208-H212 WeakPolarHBondContact O-CB 3.46Å; V208-H212 PolarHBondContact O-N 2.92Å
209	D	95.6	Very high	94.8	Very high	100 Å²	100	73 Å²	73	54%	0.535	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-40.1	176	-77.8	-25.4	0	0	0	112.4	M205 A206 V207 H212 S213	M205-D209 PolarHBondContact O-N 2.82Å; A206-D209 PolarHBondContact O-N 2.93Å; V207-D209 VanDerWaalsContact C-N 3.32Å; V207-D209 PolarHBondContact O-N 2.81Å; D209-H212 PolarHBondContact O-N 3.34Å; D209-S213 PolarHBondContact O-N 2.93Å
210	I	93.8	Very high	94.6	Very high	92 Å²	92	71.2 Å²	71.2	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-46.4	173.9	-69.9	163.5	0	0	0	110.2	A206 V207 V208 H212 S213 R214	A206-I210 WeakPolarHBondContact O-CD1 3.31Å; A206-I210 VanDerWaalsContact O-CG1 3.25Å; A206-I210 WeakPolarHBondContact O-CG1 3.15Å; A206-I210 PolarHBondContact O-N 3.32Å; V207-I210 WeakPolarHBondContact O-CB 3.38Å; V207-I210 PolarHBondContact O-N 2.99Å; V208-I210 PolarHBondContact O-N 3.44Å; I210-H212 PolarHBondContact O-N 3.37Å; I210-S213 WeakPolarHBondContact O-CB 3.34Å; I210-S213 PolarHBondContact O-N 2.97Å; I210-R214 WeakPolarHBondContact O-CG 3.46Å; I210-R214 PolarHBondContact O-N 3.05Å; I210-R214 VanDerWaalsContact O-N 3.12Å
211	Y	94.9	Very high	94.4	Very high	46 Å²	46	72.4 Å²	72.4	18%	0.18	37%	0.365	C	S	.	.	H	α-helix	trans	-60	-45.3	175.6	174.7	-107.3	0	0	0	111.7	A183 E184 L187 V207 V208 S213 R214 L215	A183-Y211 HydrophobicContact CB-CD2 3.95Å; A183-Y211 HydrophobicContact CB-CE2 4.04Å; E184-Y211 HydrophobicContact CG-CE2 3.97Å; E184-Y211 WeakPolarHBondContact OE1-CE2 3.48Å; E184-Y211 PolarHBondContact OE1-OH 3.34Å; L187-Y211 HydrophobicContact CD1-CD1 3.33Å; L187-Y211 HydrophobicContact CD1-CD2 3.88Å; L187-Y211 HydrophobicContact CD1-CE1 3.7Å; L187-Y211 HydrophobicContact CD1-CE2 4.24Å; L187-Y211 HydrophobicContact CD1-CG 3.41Å; L187-Y211 VanDerWaalsContact CD1-CG 3.41Å; L187-Y211 HydrophobicContact CG-CD1 4.43Å; L187-Y211 HydrophobicContact CG-CD2 4.34Å; L187-Y211 HydrophobicContact CG-CG 4.07Å; V207-Y211 PolarHBondContact O-N 2.8Å; V208-Y211 WeakPolarHBondContact O-CB 3.43Å; V208-Y211 PolarHBondContact O-N 3.06Å; Y211-S213 VanDerWaalsContact C-N 3.29Å; Y211-S213 PolarHBondContact O-N 3.16Å; Y211-R214 WeakPolarHBondContact O-CB 3.29Å; Y211-R214 PolarHBondContact O-N 2.9Å; Y211-L215 HydrophobicContact CD1-CD1 4.04Å; Y211-L215 HydrophobicContact CD1-CG 4.33Å; Y211-L215 HydrophobicContact CE1-CD1 3.39Å; Y211-L215 HydrophobicContact CE1-CD2 4.4Å; Y211-L215 HydrophobicContact CE1-CG 3.85Å; Y211-L215 HydrophobicContact CE2-CD2 4.28Å; Y211-L215 HydrophobicContact CE2-CG 4.26Å; Y211-L215 PolarHBondContact O-N 3.42Å
212	H	94.4	Very high	94.2	Very high	89 Å²	89	70.5 Å²	70.5	41%	0.412	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-36.5	177.9	-174	69.4	0	0	0	112.6	V208 D209 I210 L215 K216	V208-H212 WeakPolarHBondContact O-CB 3.46Å; V208-H212 PolarHBondContact O-N 2.92Å; D209-H212 PolarHBondContact O-N 3.34Å; I210-H212 PolarHBondContact O-N 3.37Å; H212-L215 PolarHBondContact O-N 2.95Å; H212-K216 PolarHBondContact CD2-NZ 2.88Å; H212-K216 WeakPolarHBondContact NE2-CE 3.37Å; H212-K216 PolarHBondContact NE2-NZ 2.92Å; H212-K216 PolarHBondContact O-N 3.29Å
213	S	95.5	Very high	93.9	Very high	76 Å²	76	73 Å²	73	53%	0.531	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-41.7	172.3	-174.4	0	0	0	0	112.1	D209 I210 Y211 K216 E217	D209-S213 PolarHBondContact O-N 2.93Å; I210-S213 WeakPolarHBondContact O-CB 3.34Å; I210-S213 PolarHBondContact O-N 2.97Å; Y211-S213 VanDerWaalsContact C-N 3.29Å; Y211-S213 PolarHBondContact O-N 3.16Å; S213-K216 WeakPolarHBondContact O-CB 3.42Å; S213-K216 PolarHBondContact O-N 3.3Å; S213-E217 PolarHBondContact O-N 3.43Å
214	R	94.4	Very high	93.6	Very high	66 Å²	66	69 Å²	69	25%	0.249	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-43.1	175.3	-65.2	168.8	-179.1	-165.3	27.1	111.6	D180 A183 D186 I210 Y211 K216 E217 R218	D180-R214 IonicContact OD1-NH1 2.65Å; D180-R214 WeakPolarHBondContact OD2-CD 3.42Å; D180-R214 IonicContact OD2-CZ 2.65Å; D180-R214 IonicContact OD2-NE 2.92Å; D180-R214 PolarHBondContact OD2-NE 2.82Å; D180-R214 IonicContact OD2-NH1 3.97Å; D180-R214 PolarHBondContact OD2-NH1 3.15Å; A183-R214 HydrophobicContact CB-CB 4.43Å; D186-R214 IonicContact OD2-CZ 2.83Å; D186-R214 IonicContact OD2-NH1 2.79Å; D186-R214 PolarHBondContact OD2-NH1 3.38Å; D186-R214 IonicContact OD2-NH2 3.32Å; D186-R214 PolarHBondContact OD2-NH2 2.96Å; I210-R214 WeakPolarHBondContact O-CG 3.46Å; I210-R214 PolarHBondContact O-N 3.05Å; I210-R214 VanDerWaalsContact O-N 3.12Å; Y211-R214 WeakPolarHBondContact O-CB 3.29Å; Y211-R214 PolarHBondContact O-N 2.9Å; R214-K216 VanDerWaalsContact C-N 3.35Å; R214-K216 PolarHBondContact O-N 2.65Å; R214-E217 PolarHBondContact O-N 3.33Å; R214-E217 VanDerWaalsContact O-N 3.16Å; R214-R218 WeakPolarHBondContact O-CG 3.48Å; R214-R218 PolarHBondContact O-N 3.31Å
215	L	92.9	Very high	93.3	Very high	59 Å²	59	70.4 Å²	70.4	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-60.2	-42.1	174.5	-71.7	-174.6	0	0	0	112.6	Y211 H212 E217 R218 Q219	Y211-L215 HydrophobicContact CD1-CD1 4.04Å; Y211-L215 HydrophobicContact CD1-CG 4.33Å; Y211-L215 HydrophobicContact CE1-CD1 3.39Å; Y211-L215 HydrophobicContact CE1-CD2 4.4Å; Y211-L215 HydrophobicContact CE1-CG 3.85Å; Y211-L215 HydrophobicContact CE2-CD2 4.28Å; Y211-L215 HydrophobicContact CE2-CG 4.26Å; Y211-L215 PolarHBondContact O-N 3.42Å; H212-L215 PolarHBondContact O-N 2.95Å; L215-E217 VanDerWaalsContact C-N 3.31Å; L215-E217 PolarHBondContact O-N 3.44Å; L215-R218 WeakPolarHBondContact O-CB 3.41Å; L215-R218 PolarHBondContact O-N 3.43Å; L215-Q219 PolarHBondContact O-N 2.95Å
216	K	95.1	Very high	92.8	Very high	129 Å²	129	74 Å²	74	56%	0.561	35%	0.351	S	S	*	.	H	α-helix	trans	-59.5	-42.2	174.1	-79.9	175	170	157.8	0	111.8	H212 S213 R214 Q219 R220	H212-K216 PolarHBondContact CD2-NZ 2.88Å; H212-K216 WeakPolarHBondContact NE2-CE 3.37Å; H212-K216 PolarHBondContact NE2-NZ 2.92Å; H212-K216 PolarHBondContact O-N 3.29Å; S213-K216 WeakPolarHBondContact O-CB 3.42Å; S213-K216 PolarHBondContact O-N 3.3Å; R214-K216 VanDerWaalsContact C-N 3.35Å; R214-K216 PolarHBondContact O-N 2.65Å; K216-Q219 PolarHBondContact O-N 2.65Å; K216-R220 VanDerWaalsContact O-CB 3.31Å; K216-R220 WeakPolarHBondContact O-CB 3.49Å; K216-R220 PolarHBondContact O-N 2.63Å
217	E	94	Very high	92.4	Very high	52 Å²	52	74.8 Å²	74.8	24%	0.243	35%	0.349	C	S	.	.	H	α-helix	trans	-69.1	-37.9	177.6	-179.3	58.7	-168.3	0	0	112.1	F179 S213 R214 L215 R220 R221	F179-E217 HydrophobicContact CD1-CB 4.44Å; F179-E217 HydrophobicContact CD1-CG 3.89Å; F179-E217 HydrophobicContact CE1-CB 4.19Å; F179-E217 HydrophobicContact CE1-CG 3.53Å; F179-E217 HydrophobicContact CZ-CG 4.42Å; S213-E217 PolarHBondContact O-N 3.43Å; R214-E217 PolarHBondContact O-N 3.33Å; R214-E217 VanDerWaalsContact O-N 3.16Å; L215-E217 VanDerWaalsContact C-N 3.31Å; L215-E217 PolarHBondContact O-N 3.44Å; E217-R220 PolarHBondContact O-N 3.39Å; E217-R220 IonicContact OE1-NH1 3.43Å; E217-R220 PolarHBondContact OE1-NH1 2.96Å; E217-R220 IonicContact OE2-NH1 2.74Å; E217-R220 PolarHBondContact OE2-NH1 3.14Å; E217-R220 VanDerWaalsContact OE2-NH1 3.13Å; E217-R221 WeakPolarHBondContact O-CG 3.4Å; E217-R221 PolarHBondContact O-N 3.3Å; E217-R221 IonicContact OE1-CZ 3.75Å; E217-R221 IonicContact OE1-NE 3.05Å; E217-R221 PolarHBondContact OE1-NE 2.95Å; E217-R221 IonicContact OE1-NH2 2.64Å; E217-R221 PolarHBondContact OE1-NH2 2.75Å
218	R	92.9	Very high	92	Very high	10 Å²	10	74.3 Å²	74.3	4%	0.038	35%	0.345	C	S	.	.	H	α-helix	trans	-56.5	-51	170.5	-70	-176.1	-174.3	165.9	7.3	110.8	E178 F179 D180 A183 E184 R214 L215 R220 R221 K222	E178-R218 WeakPolarHBondContact OE2-CD 3.28Å; E178-R218 IonicContact OE2-CZ 2.76Å; E178-R218 VanDerWaalsContact OE2-CZ 3.29Å; E178-R218 IonicContact OE2-NE 2.82Å; E178-R218 PolarHBondContact OE2-NE 3.19Å; E178-R218 IonicContact OE2-NH1 3.41Å; E178-R218 PolarHBondContact OE2-NH1 3.03Å; F179-R218 HydrophobicContact CB-CG 4.17Å; F179-R218 HydrophobicContact CD1-CG 4.23Å; F179-R218 WeakPolarHBondContact O-CD 3.21Å; F179-R218 VanDerWaalsContact O-CG 3.24Å; F179-R218 WeakPolarHBondContact O-CG 3.48Å; F179-R218 PolarHBondContact O-NE 3.23Å; D180-R218 PolarHBondContact O-NH2 3.08Å; A183-R218 VanDerWaalsContact CB-NH2 3.32Å; E184-R218 IonicContact OE1-CZ 3.09Å; E184-R218 IonicContact OE1-NH1 3.31Å; E184-R218 PolarHBondContact OE1-NH1 3.41Å; E184-R218 IonicContact OE1-NH2 3.13Å; E184-R218 PolarHBondContact OE1-NH2 3.5Å; E184-R218 IonicContact OE2-CZ 3.5Å; E184-R218 IonicContact OE2-NH1 3.52Å; E184-R218 IonicContact OE2-NH2 2.77Å; E184-R218 PolarHBondContact OE2-NH2 2.98Å; R214-R218 WeakPolarHBondContact O-CG 3.48Å; R214-R218 PolarHBondContact O-N 3.31Å; L215-R218 WeakPolarHBondContact O-CB 3.41Å; L215-R218 PolarHBondContact O-N 3.43Å; R218-R220 VanDerWaalsContact C-N 3.35Å; R218-R220 PolarHBondContact O-N 2.7Å; R218-R221 PolarHBondContact O-N 3.46Å; R218-K222 WeakPolarHBondContact O-CG 3.45Å; R218-K222 PolarHBondContact O-N 3.21Å
219	Q	92.1	Very high	91.5	Very high	117 Å²	117	74.3 Å²	74.3	55%	0.547	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-41.6	179.7	-174.7	62.3	6.6	0	0	112.1	L215 K216 R221 K222 K223	L215-Q219 PolarHBondContact O-N 2.95Å; K216-Q219 PolarHBondContact O-N 2.65Å; Q219-R221 VanDerWaalsContact C-N 3.33Å; Q219-R221 PolarHBondContact O-N 3.01Å; Q219-K222 PolarHBondContact O-N 3.38Å; Q219-K223 WeakPolarHBondContact O-CB 3.03Å; Q219-K223 PolarHBondContact O-N 3.44Å
220	R	92.6	Very high	91	Very high	106 Å²	106	71.9 Å²	71.9	40%	0.4	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-43.7	176.1	178.1	174	167.8	-86	-8.8	111.6	K216 E217 R218 K223 I224 R259	K216-R220 VanDerWaalsContact O-CB 3.31Å; K216-R220 WeakPolarHBondContact O-CB 3.49Å; K216-R220 PolarHBondContact O-N 2.63Å; E217-R220 PolarHBondContact O-N 3.39Å; E217-R220 IonicContact OE1-NH1 3.43Å; E217-R220 PolarHBondContact OE1-NH1 2.96Å; E217-R220 IonicContact OE2-NH1 2.74Å; E217-R220 PolarHBondContact OE2-NH1 3.14Å; E217-R220 VanDerWaalsContact OE2-NH1 3.13Å; R218-R220 VanDerWaalsContact C-N 3.35Å; R218-R220 PolarHBondContact O-N 2.7Å; R220-K223 PolarHBondContact O-N 3.36Å; R220-I224 HydrophobicContact CG-CD1 4.06Å; R220-I224 WeakPolarHBondContact O-CG1 3.45Å; R220-I224 PolarHBondContact O-N 3.23Å; R220-R259 PolarHBondContact NH2-O 2.95Å
221	R	91.4	Very high	90.5	Very high	94 Å²	94	68.9 Å²	68.9	36%	0.355	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-45.8	177.9	-71.5	176.9	-176.7	-159.7	11.5	112.6	F179 E217 R218 Q219 K223 I224 I225	F179-R221 VanDerWaalsContact CE2-CZ 3.4Å; F179-R221 VanDerWaalsContact CE2-NH2 3.25Å; E217-R221 WeakPolarHBondContact O-CG 3.4Å; E217-R221 PolarHBondContact O-N 3.3Å; E217-R221 IonicContact OE1-CZ 3.75Å; E217-R221 IonicContact OE1-NE 3.05Å; E217-R221 PolarHBondContact OE1-NE 2.95Å; E217-R221 IonicContact OE1-NH2 2.64Å; E217-R221 PolarHBondContact OE1-NH2 2.75Å; R218-R221 PolarHBondContact O-N 3.46Å; Q219-R221 VanDerWaalsContact C-N 3.33Å; Q219-R221 PolarHBondContact O-N 3.01Å; R221-K223 VanDerWaalsContact C-N 3.27Å; R221-K223 PolarHBondContact O-N 3.05Å; R221-I224 PolarHBondContact O-N 2.79Å; R221-I225 WeakPolarHBondContact O-CG1 3.45Å; R221-I225 PolarHBondContact O-N 3.38Å
222	K	90	Very high	89.8	Confident	47 Å²	47	68.2 Å²	68.2	20%	0.204	33%	0.325	C	S	.	.	H	α-helix	trans	-57.2	-43.6	175	-69.3	-177.7	-170.6	-176.6	0	111	D174 F175 E178 R218 Q219 I225 R226	D174-K222 WeakPolarHBondContact OD1-CE 3.42Å; D174-K222 IonicContact OD1-NZ 3.15Å; D174-K222 PolarHBondContact OD1-NZ 3.46Å; F175-K222 HydrophobicContact CD2-CG 4.42Å; F175-K222 HydrophobicContact CE2-CG 4.45Å; E178-K222 WeakPolarHBondContact OE1-CE 3.38Å; E178-K222 IonicContact OE1-NZ 3.69Å; E178-K222 PolarHBondContact OE1-NZ 2.99Å; R218-K222 WeakPolarHBondContact O-CG 3.45Å; R218-K222 PolarHBondContact O-N 3.21Å; Q219-K222 PolarHBondContact O-N 3.38Å; K222-I225 PolarHBondContact O-N 2.88Å; K222-R226 WeakPolarHBondContact O-CB 3.3Å; K222-R226 PolarHBondContact O-N 3.16Å
223	K	90	Very high	88.9	Confident	110 Å²	110	68.1 Å²	68.1	48%	0.478	33%	0.326	S	S	.	.	H	α-helix	trans	-58.8	-49.4	175.4	-178.3	173.8	-179.5	-175.6	0	111.9	Q219 R220 R221 I225 R226 D227	Q219-K223 WeakPolarHBondContact O-CB 3.03Å; Q219-K223 PolarHBondContact O-N 3.44Å; R220-K223 PolarHBondContact O-N 3.36Å; R221-K223 VanDerWaalsContact C-N 3.27Å; R221-K223 PolarHBondContact O-N 3.05Å; K223-I225 PolarHBondContact O-N 3.47Å; K223-R226 PolarHBondContact O-N 3.14Å; K223-D227 WeakPolarHBondContact CE-OD2 2.94Å; K223-D227 WeakPolarHBondContact CG-OD2 3.4Å; K223-D227 VanDerWaalsContact O-CB 3.25Å; K223-D227 WeakPolarHBondContact O-CB 3.47Å; K223-D227 PolarHBondContact O-N 3.46Å
224	I	89.6	Confident	88.1	Confident	29 Å²	29	73.2 Å²	73.2	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-46.4	178	-68.3	161.1	0	0	0	111.2	R220 R221 R226 D227 H228 R259	R220-I224 HydrophobicContact CG-CD1 4.06Å; R220-I224 WeakPolarHBondContact O-CG1 3.45Å; R220-I224 PolarHBondContact O-N 3.23Å; R221-I224 PolarHBondContact O-N 2.79Å; I224-R226 VanDerWaalsContact C-N 3.32Å; I224-R226 PolarHBondContact O-N 2.95Å; I224-D227 PolarHBondContact O-N 2.89Å; I224-H228 WeakPolarHBondContact O-CB 3.49Å; I224-H228 PolarHBondContact O-CD2 3Å; I224-H228 VanDerWaalsContact O-CD2 3.3Å; I224-H228 PolarHBondContact O-N 3.18Å; I224-R259 HydrophobicContact CD1-CB 4.39Å
225	I	87.8	Confident	87.3	Confident	48 Å²	48	75.1 Å²	75.1	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-59.6	-45.3	179.8	-69.3	165.8	0	0	0	111	F175 R221 K222 K223 G229 L230 I231	F175-I225 HydrophobicContact CE2-CD1 4.2Å; F175-I225 HydrophobicContact CZ-CD1 3.95Å; F175-I225 HydrophobicContact CZ-CG2 4.17Å; R221-I225 WeakPolarHBondContact O-CG1 3.45Å; R221-I225 PolarHBondContact O-N 3.38Å; K222-I225 PolarHBondContact O-N 2.88Å; K223-I225 PolarHBondContact O-N 3.47Å; I225-G229 PolarHBondContact O-N 3.48Å; I225-G229 VanDerWaalsContact O-N 3.15Å; I225-L230 HydrophobicContact CG2-CB 4.27Å; I225-L230 PolarHBondContact O-N 3.12Å; I225-I231 HydrophobicContact CG2-CD1 4.44Å; I225-I231 HydrophobicContact CG2-CG1 3.66Å
226	R	86.3	Confident	86.6	Confident	152 Å²	152	73.6 Å²	73.6	57%	0.574	34%	0.335	S	S	*	.	H	α-helix	trans	-66.1	-52.7	178.6	-179	-167.7	66	-171.5	1	111.7	K222 K223 I224 H228 G229	K222-R226 WeakPolarHBondContact O-CB 3.3Å; K222-R226 PolarHBondContact O-N 3.16Å; K223-R226 PolarHBondContact O-N 3.14Å; I224-R226 VanDerWaalsContact C-N 3.32Å; I224-R226 PolarHBondContact O-N 2.95Å; R226-H228 VanDerWaalsContact C-N 3.25Å; R226-H228 PolarHBondContact O-N 3.37Å; R226-G229 PolarHBondContact O-N 3.45Å
227	D	87.7	Confident	86	Confident	61 Å²	61	72 Å²	72	33%	0.326	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-33.3	-172.7	-65.3	-0.7	0	0	0	110.8	K223 I224 P263	K223-D227 WeakPolarHBondContact CE-OD2 2.94Å; K223-D227 WeakPolarHBondContact CG-OD2 3.4Å; K223-D227 VanDerWaalsContact O-CB 3.25Å; K223-D227 WeakPolarHBondContact O-CB 3.47Å; K223-D227 PolarHBondContact O-N 3.46Å; I224-D227 PolarHBondContact O-N 2.89Å; D227-P263 HydrophobicContact CB-CG 4.26Å; D227-P263 WeakPolarHBondContact O-CB 3.46Å; D227-P263 WeakPolarHBondContact O-CG 3.46Å
228	H	86.1	Confident	85.5	Confident	32 Å²	32	74.2 Å²	74.2	15%	0.148	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	4	174.6	-70	-91.5	0	0	0	114.7	I224 R226 L230 A258 V261 P263	I224-H228 WeakPolarHBondContact O-CB 3.49Å; I224-H228 PolarHBondContact O-CD2 3Å; I224-H228 VanDerWaalsContact O-CD2 3.3Å; I224-H228 PolarHBondContact O-N 3.18Å; R226-H228 VanDerWaalsContact C-N 3.25Å; R226-H228 PolarHBondContact O-N 3.37Å; H228-L230 VanDerWaalsContact C-N 3.27Å; H228-L230 HydrophobicContact CB-CD1 3.98Å; H228-L230 HydrophobicContact CB-CD2 4.16Å; H228-L230 HydrophobicContact CB-CG 3.69Å; H228-L230 PolarHBondContact O-N 3.24Å; H228-A258 PolarHBondContact NE2-O 2.66Å; H228-V261 PolarHBondContact CE1-O 3.49Å; H228-V261 PolarHBondContact NE2-O 2.91Å; H228-V261 VanDerWaalsContact NE2-O 3.16Å; H228-P263 VanDerWaalsContact CE1-CA 3.43Å; H228-P263 WeakPolarHBondContact CE1-CA 3.49Å
229	G	83.8	Confident	85	Confident	45 Å²	45	78.1 Å²	78.1	46%	0.464	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	30.4	178	0	0	0	0	0	114.8	I225 R226 I231	I225-G229 PolarHBondContact O-N 3.48Å; I225-G229 VanDerWaalsContact O-N 3.15Å; R226-G229 PolarHBondContact O-N 3.45Å; G229-I231 PolarHBondContact O-N 3.39Å
230	L	84.9	Confident	84.6	Confident	50 Å²	50	73.8 Å²	73.8	26%	0.262	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	4	-171	-59.9	176.3	0	0	0	114.4	I225 H228 F236	I225-L230 HydrophobicContact CG2-CB 4.27Å; I225-L230 PolarHBondContact O-N 3.12Å; H228-L230 VanDerWaalsContact C-N 3.27Å; H228-L230 HydrophobicContact CB-CD1 3.98Å; H228-L230 HydrophobicContact CB-CD2 4.16Å; H228-L230 HydrophobicContact CB-CG 3.69Å; H228-L230 PolarHBondContact O-N 3.24Å; L230-F236 HydrophobicContact CD2-CD2 4.16Å; L230-F236 HydrophobicContact CD2-CE2 4.01Å
231	I	84.2	Confident	84.4	Confident	28 Å²	28	77.1 Å²	77.1	14%	0.144	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-37.1	180	-62.7	163	0	0	0	110.9	M165 Y168 I225 G229	M165-I231 HydrophobicContact CE-CG2 3.82Å; M165-I231 HydrophobicContact CG-CG2 4.5Å; Y168-I231 HydrophobicContact CD1-CD1 4.32Å; Y168-I231 HydrophobicContact CD1-CG2 3.6Å; Y168-I231 HydrophobicContact CD2-CD1 4.37Å; Y168-I231 HydrophobicContact CE1-CD1 3.79Å; Y168-I231 HydrophobicContact CE1-CG1 4.49Å; Y168-I231 HydrophobicContact CE1-CG2 3.95Å; Y168-I231 HydrophobicContact CE2-CD1 3.86Å; Y168-I231 HydrophobicContact CG-CG2 4.07Å; I225-I231 HydrophobicContact CG2-CD1 4.44Å; I225-I231 HydrophobicContact CG2-CG1 3.66Å; G229-I231 PolarHBondContact O-N 3.39Å
232	N	79.1	Confident	84.2	Confident	33 Å²	33	79.5 Å²	79.5	18%	0.176	36%	0.364	C	S	.	.			trans	-102.6	84.4	-176.8	-168.9	-24.5	0	0	0	110.8	R234 K235 F236	N232-R234 PolarHBondContact O-N 2.96Å; N232-R234 PolarHBondContact OD1-N 3.26Å; N232-K235 HydrophobicContact CB-CB 4Å; N232-K235 VanDerWaalsContact CG-CB 3.47Å; N232-K235 PolarHBondContact O-N 3.22Å; N232-K235 WeakPolarHBondContact OD1-CB 3.38Å; N232-K235 PolarHBondContact OD1-N 3.49Å; N232-F236 PolarHBondContact O-N 3.38Å; N232-F236 VanDerWaalsContact O-N 3.09Å
233	L	77.1	Confident	84.2	Confident	86 Å²	86	78.6 Å²	78.6	45%	0.45	36%	0.359	S	S	.	.	H	α-helix	trans	-56.4	-35.9	179.3	-88.3	81.9	0	0	0	112.6	F236 Q237	L233-F236 WeakPolarHBondContact O-CB 3.15Å; L233-F236 PolarHBondContact O-N 2.85Å; L233-Q237 WeakPolarHBondContact O-CB 3.25Å; L233-Q237 VanDerWaalsContact O-CG 3.27Å; L233-Q237 WeakPolarHBondContact O-CG 3.45Å; L233-Q237 PolarHBondContact O-N 2.87Å
234	R	78.1	Confident	84.3	Confident	183 Å²	183	75 Å²	75	69%	0.691	35%	0.347	S	S	*	.	H	α-helix	trans	-69	-45.2	-177.7	-170	175.2	-177.4	176.3	0.4	111.8	N232 F236 Q237 L238	N232-R234 PolarHBondContact O-N 2.96Å; N232-R234 PolarHBondContact OD1-N 3.26Å; R234-F236 PolarHBondContact O-N 2.86Å; R234-Q237 PolarHBondContact O-N 3.25Å; R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 2.72Å
235	K	78.4	Confident	84.3	Confident	106 Å²	106	80.7 Å²	80.7	46%	0.461	37%	0.371	S	S	.	.	H	α-helix	trans	-58.1	-43.2	173.8	-174	-179.3	-174.5	-176.5	0	110.1	D151 N232 L238 M239	D151-K235 IonicContact OD2-NZ 3.5Å; D151-K235 PolarHBondContact OD2-NZ 3.31Å; N232-K235 HydrophobicContact CB-CB 4Å; N232-K235 VanDerWaalsContact CG-CB 3.47Å; N232-K235 PolarHBondContact O-N 3.22Å; N232-K235 WeakPolarHBondContact OD1-CB 3.38Å; N232-K235 PolarHBondContact OD1-N 3.49Å; K235-L238 PolarHBondContact O-N 3.12Å; K235-M239 VanDerWaalsContact O-CG 3.26Å; K235-M239 WeakPolarHBondContact O-CG 3.24Å; K235-M239 PolarHBondContact O-N 3.27Å; K235-M239 VanDerWaalsContact O-N 3.09Å
236	F	78.5	Confident	84.4	Confident	27 Å²	27	83.7 Å²	83.7	12%	0.118	38%	0.384	C	S	.	.	H	α-helix	trans	-59.9	-52.5	176.6	-168.8	-71.5	0	0	0	112.4	L230 N232 L233 R234 L238 M239 E240 Y251 R255	L230-F236 HydrophobicContact CD2-CD2 4.16Å; L230-F236 HydrophobicContact CD2-CE2 4.01Å; N232-F236 PolarHBondContact O-N 3.38Å; N232-F236 VanDerWaalsContact O-N 3.09Å; L233-F236 WeakPolarHBondContact O-CB 3.15Å; L233-F236 PolarHBondContact O-N 2.85Å; R234-F236 PolarHBondContact O-N 2.86Å; F236-L238 PolarHBondContact O-N 3.25Å; F236-M239 WeakPolarHBondContact O-CB 3.15Å; F236-M239 PolarHBondContact O-N 2.81Å; F236-E240 HydrophobicContact CE1-CB 4.32Å; F236-E240 WeakPolarHBondContact CE1-OE2 3.44Å; F236-E240 PolarHBondContact O-N 2.71Å; F236-Y251 HydrophobicContact CE1-CD1 4.29Å; F236-Y251 AromaticContact CE1-CE1 4Å; F236-Y251 HydrophobicContact CE1-CE1 4Å; F236-Y251 HydrophobicContact CE2-CE1 4.05Å; F236-Y251 AromaticContact CZ-CD1 3.89Å; F236-Y251 HydrophobicContact CZ-CD1 3.89Å; F236-Y251 AromaticContact CZ-CE1 3.21Å; F236-Y251 HydrophobicContact CZ-CE1 3.21Å; F236-Y251 AromaticContact CZ-CZ 3.6Å; F236-R255 VanDerWaalsContact CD1-NH1 3.29Å
237	Q	81.6	Confident	84.7	Confident	95 Å²	95	76.5 Å²	76.5	44%	0.444	36%	0.356	S	S	.	.	H	α-helix	trans	-59.2	-35.8	-180	-74.3	170.6	-1.3	0	0	112.2	L233 R234 R241	L233-Q237 WeakPolarHBondContact O-CB 3.25Å; L233-Q237 VanDerWaalsContact O-CG 3.27Å; L233-Q237 WeakPolarHBondContact O-CG 3.45Å; L233-Q237 PolarHBondContact O-N 2.87Å; R234-Q237 PolarHBondContact O-N 3.25Å; Q237-R241 VanDerWaalsContact O-CG 3.27Å; Q237-R241 WeakPolarHBondContact O-CG 3.44Å; Q237-R241 PolarHBondContact O-N 2.79Å; Q237-R241 VanDerWaalsContact O-N 3.11Å
238	L	83.7	Confident	84.9	Confident	100 Å²	100	76.1 Å²	76.1	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-66.6	-40.1	174.9	-72.4	169.6	0	0	0	112.2	R234 K235 F236 R241	R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 2.72Å; K235-L238 PolarHBondContact O-N 3.12Å; F236-L238 PolarHBondContact O-N 3.25Å; L238-R241 PolarHBondContact O-N 3.42Å
239	M	81.5	Confident	85.1	Confident	92 Å²	92	78.5 Å²	78.5	45%	0.453	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-41.4	177.6	-68.5	-73.5	-78.4	0	0	111.6	K235 F236 R242	K235-M239 VanDerWaalsContact O-CG 3.26Å; K235-M239 WeakPolarHBondContact O-CG 3.24Å; K235-M239 PolarHBondContact O-N 3.27Å; K235-M239 VanDerWaalsContact O-N 3.09Å; F236-M239 WeakPolarHBondContact O-CB 3.15Å; F236-M239 PolarHBondContact O-N 2.81Å; M239-R242 VanDerWaalsContact CE-CZ 3.46Å; M239-R242 WeakPolarHBondContact O-CB 3.4Å; M239-R242 WeakPolarHBondContact O-CG 3.43Å; M239-R242 PolarHBondContact O-N 3.32Å; M239-R242 PolarHBondContact O-NE 2.98Å; M239-R242 PolarHBondContact SD-NH1 3.34Å
240	E	84.3	Confident	85.4	Confident	25 Å²	25	78.3 Å²	78.3	12%	0.117	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-39.9	177.8	-172.6	167.4	-154.1	0	0	111.8	F236 R242 Y243 Q248 R255	F236-E240 HydrophobicContact CE1-CB 4.32Å; F236-E240 WeakPolarHBondContact CE1-OE2 3.44Å; F236-E240 PolarHBondContact O-N 2.71Å; E240-R242 PolarHBondContact O-N 2.74Å; E240-Y243 WeakPolarHBondContact O-CD2 2.89Å; E240-Y243 PolarHBondContact O-N 3.37Å; E240-Y243 VanDerWaalsContact O-N 3.12Å; E240-Q248 HydrophobicContact CG-CB 4.34Å; E240-Q248 HydrophobicContact CG-CG 4.13Å; E240-Q248 VanDerWaalsContact O-CG 3.31Å; E240-Q248 WeakPolarHBondContact O-CG 3.37Å; E240-R255 IonicContact OE1-NH2 3.87Å; E240-R255 IonicContact OE2-NH2 3.51Å; E240-R255 PolarHBondContact OE2-NH2 3.24Å; E240-R255 VanDerWaalsContact OE2-NH2 3.09Å
241	R	87.6	Confident	85.6	Confident	177 Å²	177	77 Å²	77	67%	0.668	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.6	177.4	-79	176.1	-178.8	-173.4	1.8	115.2	Q237 L238 Y243	Q237-R241 VanDerWaalsContact O-CG 3.27Å; Q237-R241 WeakPolarHBondContact O-CG 3.44Å; Q237-R241 PolarHBondContact O-N 2.79Å; Q237-R241 VanDerWaalsContact O-N 3.11Å; L238-R241 PolarHBondContact O-N 3.42Å; R241-Y243 VanDerWaalsContact C-N 3.26Å
242	R	88.6	Confident	85.8	Confident	144 Å²	144	81 Å²	81	54%	0.543	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.7	176.7	-60.2	-178.9	-59	167.7	13.5	112.3	M239 E240	M239-R242 VanDerWaalsContact CE-CZ 3.46Å; M239-R242 WeakPolarHBondContact O-CB 3.4Å; M239-R242 WeakPolarHBondContact O-CG 3.43Å; M239-R242 PolarHBondContact O-N 3.32Å; M239-R242 PolarHBondContact O-NE 2.98Å; M239-R242 PolarHBondContact SD-NH1 3.34Å; E240-R242 PolarHBondContact O-N 2.74Å
243	Y	90.1	Very high	86.3	Confident	28 Å²	28	82.5 Å²	82.5	11%	0.11	38%	0.375	C	S	.	.	S	Bend	trans	-90.8	158.1	-177.7	-54.4	-72.8	0	0	0	112.3	E240 R241 V247 Q248 Y251 I270 E271 A274	E240-Y243 WeakPolarHBondContact O-CD2 2.89Å; E240-Y243 PolarHBondContact O-N 3.37Å; E240-Y243 VanDerWaalsContact O-N 3.12Å; R241-Y243 VanDerWaalsContact C-N 3.26Å; Y243-V247 HydrophobicContact CD1-CG1 4.04Å; Y243-V247 HydrophobicContact CG-CG1 3.88Å; Y243-Q248 PolarHBondContact O-NE2 3.02Å; Y243-Y251 HydrophobicContact CE2-CD2 4.28Å; Y243-Y251 HydrophobicContact CE2-CE2 4.44Å; Y243-I270 HydrophobicContact CE2-CG2 4.24Å; Y243-E271 PolarHBondContact OH-OE1 2.91Å; Y243-A274 HydrophobicContact CD1-CB 3.8Å; Y243-A274 HydrophobicContact CE1-CB 4.02Å
244	P	90.9	Very high	86.9	Confident	34 Å²	34	80 Å²	80	22%	0.221	36%	0.362	C	S	.	.			trans	-58	156.5	166.3	-23	34.7	0	0	0	112.1	E246 V247 Q248 F277	P244-E246 VanDerWaalsContact C-N 3.28Å; P244-E246 PolarHBondContact O-N 3.22Å; P244-V247 HydrophobicContact CB-CG2 4.47Å; P244-V247 HydrophobicContact CG-CG2 4.46Å; P244-V247 PolarHBondContact O-N 3.05Å; P244-Q248 WeakPolarHBondContact O-CG 3.4Å; P244-Q248 PolarHBondContact O-N 2.96Å; P244-F277 HydrophobicContact CB-CD1 4.19Å; P244-F277 HydrophobicContact CB-CE1 3.57Å; P244-F277 HydrophobicContact CB-CZ 4.08Å; P244-F277 HydrophobicContact CG-CD1 3.88Å; P244-F277 HydrophobicContact CG-CE1 3.6Å
245	K	90.6	Very high	87.3	Confident	148 Å²	148	75.1 Å²	75.1	64%	0.643	34%	0.343	S	S	*	.	H	α-helix	trans	-57	-40.3	-174.7	-173	173.6	179.7	-179.7	0	112.8	V247 Q248 D249	K245-V247 VanDerWaalsContact C-N 3.27Å; K245-V247 PolarHBondContact O-N 3.43Å; K245-Q248 WeakPolarHBondContact O-CB 3.33Å; K245-Q248 PolarHBondContact O-N 3.17Å; K245-D249 VanDerWaalsContact O-CG 3.25Å; K245-D249 PolarHBondContact O-N 3.12Å
246	E	90.1	Very high	87.7	Confident	112 Å²	112	78.3 Å²	78.3	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-35.7	178.8	-61.4	84.3	170.8	0	0	112.3	P244 L250 F277	P244-E246 VanDerWaalsContact C-N 3.28Å; P244-E246 PolarHBondContact O-N 3.22Å; E246-L250 PolarHBondContact O-N 3.17Å; E246-F277 HydrophobicContact CB-CD2 4.23Å; E246-F277 HydrophobicContact CB-CE2 3.69Å; E246-F277 HydrophobicContact CB-CZ 4.23Å; E246-F277 HydrophobicContact CG-CE2 3.8Å; E246-F277 HydrophobicContact CG-CZ 4.2Å; E246-F277 WeakPolarHBondContact OE2-CZ 3.43Å
247	V	92	Very high	88.2	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-77.9	-34.9	177.4	179.4	0	0	0	0	110.6	Y243 P244 K245 L250 Y251 A274 F277	Y243-V247 HydrophobicContact CD1-CG1 4.04Å; Y243-V247 HydrophobicContact CG-CG1 3.88Å; P244-V247 HydrophobicContact CB-CG2 4.47Å; P244-V247 HydrophobicContact CG-CG2 4.46Å; P244-V247 PolarHBondContact O-N 3.05Å; K245-V247 VanDerWaalsContact C-N 3.27Å; K245-V247 PolarHBondContact O-N 3.43Å; V247-L250 PolarHBondContact O-N 3.47Å; V247-Y251 PolarHBondContact O-N 3.43Å; V247-A274 HydrophobicContact CG1-CB 3.95Å; V247-F277 HydrophobicContact CG2-CB 3.91Å; V247-F277 HydrophobicContact CG2-CD1 4.13Å; V247-F277 HydrophobicContact CG2-CD2 4.45Å; V247-F277 HydrophobicContact CG2-CG 3.91Å
248	Q	91.6	Very high	88.3	Confident	54 Å²	54	77.5 Å²	77.5	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-60.6	-46.2	171.5	-66.2	177.1	20.5	0	0	111.2	E240 Y243 P244 K245 L250 Y251 E252	E240-Q248 HydrophobicContact CG-CB 4.34Å; E240-Q248 HydrophobicContact CG-CG 4.13Å; E240-Q248 VanDerWaalsContact O-CG 3.31Å; E240-Q248 WeakPolarHBondContact O-CG 3.37Å; Y243-Q248 PolarHBondContact O-NE2 3.02Å; P244-Q248 WeakPolarHBondContact O-CG 3.4Å; P244-Q248 PolarHBondContact O-N 2.96Å; K245-Q248 WeakPolarHBondContact O-CB 3.33Å; K245-Q248 PolarHBondContact O-N 3.17Å; Q248-L250 VanDerWaalsContact C-N 3.27Å; Q248-L250 PolarHBondContact O-N 2.78Å; Q248-Y251 WeakPolarHBondContact O-CA 3.4Å; Q248-Y251 VanDerWaalsContact O-CB 3.31Å; Q248-Y251 WeakPolarHBondContact O-CB 3.33Å; Q248-Y251 PolarHBondContact O-N 3.02Å; Q248-E252 PolarHBondContact O-N 3.35Å
249	D	90.8	Very high	88.4	Confident	82 Å²	82	81.3 Å²	81.3	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-37.7	178.5	-65.5	-18.2	0	0	0	111.5	K245 T253	K245-D249 VanDerWaalsContact O-CG 3.25Å; K245-D249 PolarHBondContact O-N 3.12Å; D249-T253 PolarHBondContact O-N 2.91Å; D249-T253 VanDerWaalsContact O-N 3.14Å; D249-T253 PolarHBondContact O-OG1 3.06Å
250	L	90.4	Very high	88.7	Confident	40 Å²	40	83.7 Å²	83.7	21%	0.209	37%	0.369	C	S	.	.	H	α-helix	trans	-65.9	-46.1	171.3	-180	68.4	0	0	0	111.3	E246 V247 Q248 E252 T253 M254 F269 H273	E246-L250 PolarHBondContact O-N 3.17Å; V247-L250 PolarHBondContact O-N 3.47Å; Q248-L250 VanDerWaalsContact C-N 3.27Å; Q248-L250 PolarHBondContact O-N 2.78Å; L250-E252 VanDerWaalsContact C-N 3.3Å; L250-E252 PolarHBondContact O-N 3.17Å; L250-T253 WeakPolarHBondContact O-CB 3.49Å; L250-T253 PolarHBondContact O-N 2.9Å; L250-T253 VanDerWaalsContact O-N 3.14Å; L250-M254 HydrophobicContact CD1-CG 3.78Å; L250-M254 HydrophobicContact CD1-SD 4.41Å; L250-M254 HydrophobicContact CG-CG 3.91Å; L250-M254 WeakPolarHBondContact O-CB 3.34Å; L250-M254 VanDerWaalsContact O-CG 3.25Å; L250-M254 WeakPolarHBondContact O-CG 3.27Å; L250-M254 PolarHBondContact O-N 2.89Å; L250-F269 HydrophobicContact CD2-CE1 4.06Å; L250-H273 HydrophobicContact CD2-CB 3.86Å; L250-H273 WeakPolarHBondContact CD2-CD2 3.22Å
251	Y	89.3	Confident	88.9	Confident	22 Å²	22	84.9 Å²	84.9	9%	0.086	38%	0.378	C	S	.	.	H	α-helix	trans	-52.9	-52.3	177.9	-160.2	-51.1	0	0	0	109.8	F236 Y243 V247 Q248 T253 M254 R255 H266 I270	F236-Y251 HydrophobicContact CE1-CD1 4.29Å; F236-Y251 AromaticContact CE1-CE1 4Å; F236-Y251 HydrophobicContact CE1-CE1 4Å; F236-Y251 HydrophobicContact CE2-CE1 4.05Å; F236-Y251 AromaticContact CZ-CD1 3.89Å; F236-Y251 HydrophobicContact CZ-CD1 3.89Å; F236-Y251 AromaticContact CZ-CE1 3.21Å; F236-Y251 HydrophobicContact CZ-CE1 3.21Å; F236-Y251 AromaticContact CZ-CZ 3.6Å; Y243-Y251 HydrophobicContact CE2-CD2 4.28Å; Y243-Y251 HydrophobicContact CE2-CE2 4.44Å; V247-Y251 PolarHBondContact O-N 3.43Å; Q248-Y251 WeakPolarHBondContact O-CA 3.4Å; Q248-Y251 VanDerWaalsContact O-CB 3.31Å; Q248-Y251 WeakPolarHBondContact O-CB 3.33Å; Q248-Y251 PolarHBondContact O-N 3.02Å; Y251-T253 VanDerWaalsContact C-N 3.28Å; Y251-T253 PolarHBondContact O-N 3.45Å; Y251-M254 CarbonylContact O-C 3.59Å; Y251-M254 PolarHBondContact O-N 3.21Å; Y251-M254 VanDerWaalsContact O-N 3.08Å; Y251-R255 PolarHBondContact O-N 3.02Å; Y251-H266 AromaticContact CE1-NE2 3.61Å; Y251-H266 AromaticContact CZ-NE2 3.98Å; Y251-I270 HydrophobicContact CD2-CB 4.22Å; Y251-I270 HydrophobicContact CD2-CD1 4.04Å; Y251-I270 HydrophobicContact CD2-CG1 3.83Å; Y251-I270 HydrophobicContact CD2-CG2 3.43Å; Y251-I270 VanDerWaalsContact CD2-CG2 3.43Å; Y251-I270 HydrophobicContact CE2-CB 4.24Å; Y251-I270 HydrophobicContact CE2-CG1 3.87Å; Y251-I270 HydrophobicContact CE2-CG2 3.72Å; Y251-I270 HydrophobicContact CG-CD1 4.1Å; Y251-I270 HydrophobicContact CG-CG1 4.32Å; Y251-I270 HydrophobicContact CG-CG2 4.44Å
252	E	87.9	Confident	89	Confident	113 Å²	113	77.7 Å²	77.7	53%	0.528	36%	0.359	S	S	.	.	H	α-helix	trans	-58	-41.9	179.7	-172.9	174	-170	0	0	112.1	Q248 L250 R255	Q248-E252 PolarHBondContact O-N 3.35Å; L250-E252 VanDerWaalsContact C-N 3.3Å; L250-E252 PolarHBondContact O-N 3.17Å; E252-R255 WeakPolarHBondContact O-CB 3.48Å; E252-R255 PolarHBondContact O-N 3.49Å
253	T	90.1	Very high	89	Confident	65 Å²	65	72.6 Å²	72.6	40%	0.399	35%	0.345	S	S	.	.	H	α-helix	trans	-63.2	-44.4	175.6	-59.1	0	0	0	0	111.5	D249 L250 Y251 R255	D249-T253 PolarHBondContact O-N 2.91Å; D249-T253 VanDerWaalsContact O-N 3.14Å; D249-T253 PolarHBondContact O-OG1 3.06Å; L250-T253 WeakPolarHBondContact O-CB 3.49Å; L250-T253 PolarHBondContact O-N 2.9Å; L250-T253 VanDerWaalsContact O-N 3.14Å; Y251-T253 VanDerWaalsContact C-N 3.28Å; Y251-T253 PolarHBondContact O-N 3.45Å; T253-R255 VanDerWaalsContact C-N 3.31Å; T253-R255 PolarHBondContact O-N 2.8Å
254	M	89.1	Confident	89.1	Confident	34 Å²	34	75.2 Å²	75.2	17%	0.167	36%	0.363	C	S	.	.	H	α-helix	trans	-72.1	-25	-176.9	-70.5	-60.8	-67.5	0	0	112.8	L250 Y251 R256 F257 H266 F269 I270	L250-M254 HydrophobicContact CD1-CG 3.78Å; L250-M254 HydrophobicContact CD1-SD 4.41Å; L250-M254 HydrophobicContact CG-CG 3.91Å; L250-M254 WeakPolarHBondContact O-CB 3.34Å; L250-M254 VanDerWaalsContact O-CG 3.25Å; L250-M254 WeakPolarHBondContact O-CG 3.27Å; L250-M254 PolarHBondContact O-N 2.89Å; Y251-M254 CarbonylContact O-C 3.59Å; Y251-M254 PolarHBondContact O-N 3.21Å; Y251-M254 VanDerWaalsContact O-N 3.08Å; M254-R256 PolarHBondContact O-N 3.4Å; M254-R256 VanDerWaalsContact O-N 3.09Å; M254-F257 WeakPolarHBondContact O-CA 3.43Å; M254-F257 WeakPolarHBondContact O-CB 3.24Å; M254-F257 PolarHBondContact O-N 3.19Å; M254-F257 HydrophobicContact SD-CD2 4.16Å; M254-F257 HydrophobicContact SD-CE2 4.48Å; M254-H266 PolarHBondContact O-CE1 3.23Å; M254-F269 HydrophobicContact CE-CD1 3.65Å; M254-F269 HydrophobicContact CE-CE1 3.39Å; M254-F269 HydrophobicContact CE-CG 4.38Å; M254-F269 HydrophobicContact CE-CZ 3.9Å; M254-F269 HydrophobicContact CG-CD1 4.31Å; M254-F269 HydrophobicContact CG-CE1 3.75Å; M254-F269 HydrophobicContact SD-CE1 3.86Å; M254-F269 HydrophobicContact SD-CZ 4.35Å; M254-I270 HydrophobicContact CB-CD1 4.13Å; M254-I270 HydrophobicContact CG-CD1 4.36Å
255	R	85.3	Confident	89.1	Confident	80 Å²	80	78.8 Å²	78.8	30%	0.302	38%	0.377	S	S	.	.	H	α-helix	trans	-53	-33.2	177.5	-168.3	-168.5	-60.8	-105.8	7.1	112.7	F236 E240 Y251 E252 T253 F257 A258	F236-R255 VanDerWaalsContact CD1-NH1 3.29Å; E240-R255 IonicContact OE1-NH2 3.87Å; E240-R255 IonicContact OE2-NH2 3.51Å; E240-R255 PolarHBondContact OE2-NH2 3.24Å; E240-R255 VanDerWaalsContact OE2-NH2 3.09Å; Y251-R255 PolarHBondContact O-N 3.02Å; E252-R255 WeakPolarHBondContact O-CB 3.48Å; E252-R255 PolarHBondContact O-N 3.49Å; T253-R255 VanDerWaalsContact C-N 3.31Å; T253-R255 PolarHBondContact O-N 2.8Å; R255-F257 PolarHBondContact O-N 3.38Å; R255-A258 WeakPolarHBondContact O-CB 3.31Å; R255-A258 PolarHBondContact O-N 2.93Å; R255-A258 VanDerWaalsContact O-N 3.12Å
256	R	87.1	Confident	89.1	Confident	172 Å²	172	72 Å²	72	65%	0.649	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-61.5	-27.6	177.5	-59.7	-177.3	-174.6	116.3	3.4	112.5	M254	M254-R256 PolarHBondContact O-N 3.4Å; M254-R256 VanDerWaalsContact O-N 3.09Å
257	F	89.2	Confident	89	Confident	99 Å²	99	70.5 Å²	70.5	43%	0.434	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-88.4	-3.4	-179.8	-59.1	-84.5	0	0	0	113.6	M254 R255 R259 I260 V261	M254-F257 WeakPolarHBondContact O-CA 3.43Å; M254-F257 WeakPolarHBondContact O-CB 3.24Å; M254-F257 PolarHBondContact O-N 3.19Å; M254-F257 HydrophobicContact SD-CD2 4.16Å; M254-F257 HydrophobicContact SD-CE2 4.48Å; R255-F257 PolarHBondContact O-N 3.38Å; F257-R259 PolarHBondContact O-N 3.03Å; F257-I260 PolarHBondContact O-N 3.44Å; F257-V261 HydrophobicContact CB-CG2 4.43Å; F257-V261 PolarHBondContact O-N 2.92Å
258	A	83.9	Confident	89.1	Confident	7 Å²	7	76.9 Å²	76.9	6%	0.058	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-59.3	-12.6	171.2	0	0	0	0	0	113.2	H228 R255 I260	H228-A258 PolarHBondContact NE2-O 2.66Å; R255-A258 WeakPolarHBondContact O-CB 3.31Å; R255-A258 PolarHBondContact O-N 2.93Å; R255-A258 VanDerWaalsContact O-N 3.12Å; A258-I260 PolarHBondContact O-N 3.05Å
259	R	86.8	Confident	89.1	Confident	179 Å²	179	78.6 Å²	78.6	68%	0.675	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-75.8	-13.1	173.1	-61.5	-179.3	-177.6	-175.9	0.9	114	R220 I224 F257	R220-R259 PolarHBondContact NH2-O 2.95Å; I224-R259 HydrophobicContact CD1-CB 4.39Å; F257-R259 PolarHBondContact O-N 3.03Å
260	I	88	Confident	89.1	Confident	142 Å²	142	74.8 Å²	74.8	73%	0.728	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-42.2	-170.9	-53.1	175.1	0	0	0	110	F257 A258	F257-I260 PolarHBondContact O-N 3.44Å; A258-I260 PolarHBondContact O-N 3.05Å
261	V	87.9	Confident	89.3	Confident	51 Å²	51	77.5 Å²	77.5	31%	0.309	37%	0.369	S	S	.	.	S	Bend	trans	-90.3	134.7	-179	-174.6	0	0	0	0	109.3	H228 F257 E265 H266	H228-V261 PolarHBondContact CE1-O 3.49Å; H228-V261 PolarHBondContact NE2-O 2.91Å; H228-V261 VanDerWaalsContact NE2-O 3.16Å; F257-V261 HydrophobicContact CB-CG2 4.43Å; F257-V261 PolarHBondContact O-N 2.92Å; V261-E265 HydrophobicContact CG1-CB 3.69Å; V261-H266 HydrophobicContact CG1-CB 4.1Å
262	G	89.5	Confident	89.5	Confident	25 Å²	25	80 Å²	80	26%	0.258	39%	0.39	S	S	.	.			trans	-65.6	161	175.2	0	0	0	0	0	112.8	V264 E265 H266	G262-V264 PolarHBondContact O-N 2.87Å; G262-E265 VanDerWaalsContact C-OE2 3.31Å; G262-E265 WeakPolarHBondContact CA-OE2 3.48Å; G262-E265 PolarHBondContact O-N 2.91Å; G262-H266 VanDerWaalsContact O-CB 3.27Å; G262-H266 WeakPolarHBondContact O-CB 3.48Å; G262-H266 PolarHBondContact O-N 3.45Å
263	P	89	Confident	89.8	Confident	38 Å²	38	77.3 Å²	77.3	25%	0.247	38%	0.377	C	S	.	.	H	α-helix	trans	-62.3	-42.3	-174.2	24.7	-34.9	0	0	0	112.5	D227 H228 H266 D267	D227-P263 HydrophobicContact CB-CG 4.26Å; D227-P263 WeakPolarHBondContact O-CB 3.46Å; D227-P263 WeakPolarHBondContact O-CG 3.46Å; H228-P263 VanDerWaalsContact CE1-CA 3.43Å; H228-P263 WeakPolarHBondContact CE1-CA 3.49Å; P263-H266 PolarHBondContact O-N 3.07Å; P263-D267 PolarHBondContact O-N 2.92Å
264	V	90.8	Very high	90	Very high	82 Å²	82	74.6 Å²	74.6	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-68.2	-42.5	-178.6	178.1	0	0	0	0	111.1	G262 H266 K268	G262-V264 PolarHBondContact O-N 2.87Å; V264-H266 VanDerWaalsContact C-N 3.33Å; V264-K268 HydrophobicContact CG1-CD 4.15Å; V264-K268 WeakPolarHBondContact O-CB 3.34Å; V264-K268 VanDerWaalsContact O-CG 3.24Å; V264-K268 WeakPolarHBondContact O-CG 3.5Å; V264-K268 PolarHBondContact O-N 3.26Å
265	E	91.5	Very high	90.3	Very high	109 Å²	109	77.7 Å²	77.7	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-66.5	-39.1	177.6	-64.1	74.9	-159.5	0	0	111.2	V261 G262 F269	V261-E265 HydrophobicContact CG1-CB 3.69Å; G262-E265 VanDerWaalsContact C-OE2 3.31Å; G262-E265 WeakPolarHBondContact CA-OE2 3.48Å; G262-E265 PolarHBondContact O-N 2.91Å; E265-F269 WeakPolarHBondContact O-CB 3.41Å; E265-F269 PolarHBondContact O-N 3.23Å
266	H	89.8	Confident	90.8	Very high	5 Å²	5	77.3 Å²	77.3	2%	0.023	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-50.5	176.6	-173	77.6	0	0	0	111.4	Y251 M254 V261 G262 P263 V264 K268 F269 I270	Y251-H266 AromaticContact CE1-NE2 3.61Å; Y251-H266 AromaticContact CZ-NE2 3.98Å; M254-H266 PolarHBondContact O-CE1 3.23Å; V261-H266 HydrophobicContact CG1-CB 4.1Å; G262-H266 VanDerWaalsContact O-CB 3.27Å; G262-H266 WeakPolarHBondContact O-CB 3.48Å; G262-H266 PolarHBondContact O-N 3.45Å; P263-H266 PolarHBondContact O-N 3.07Å; V264-H266 VanDerWaalsContact C-N 3.33Å; H266-K268 PolarHBondContact O-N 3.4Å; H266-F269 WeakPolarHBondContact O-CB 3.49Å; H266-F269 PolarHBondContact O-N 3.12Å; H266-F269 VanDerWaalsContact O-N 3.14Å; H266-I270 WeakPolarHBondContact O-CG1 3.47Å; H266-I270 PolarHBondContact O-N 3.22Å
267	D	89.1	Confident	91.2	Very high	82 Å²	82	71.3 Å²	71.3	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-63.1	-42	179.7	-71.9	-15.9	0	0	0	111.5	P263 F269 I270 E271	P263-D267 PolarHBondContact O-N 2.92Å; D267-F269 VanDerWaalsContact C-N 3.29Å; D267-F269 PolarHBondContact O-N 3.07Å; D267-I270 PolarHBondContact O-N 3.32Å; D267-E271 WeakPolarHBondContact O-CB 3.47Å; D267-E271 WeakPolarHBondContact O-CG 3.36Å; D267-E271 PolarHBondContact O-N 3.07Å
268	K	93.1	Very high	91.5	Very high	133 Å²	133	71.1 Å²	71.1	58%	0.578	36%	0.359	S	S	*	.	H	α-helix	trans	-58.2	-40.9	173.8	-78.2	174.4	-179.2	175.1	0	112.3	V264 H266 S272	V264-K268 HydrophobicContact CG1-CD 4.15Å; V264-K268 WeakPolarHBondContact O-CB 3.34Å; V264-K268 VanDerWaalsContact O-CG 3.24Å; V264-K268 WeakPolarHBondContact O-CG 3.5Å; V264-K268 PolarHBondContact O-N 3.26Å; H266-K268 PolarHBondContact O-N 3.4Å; K268-S272 VanDerWaalsContact O-CB 3.27Å; K268-S272 WeakPolarHBondContact O-CB 3.24Å; K268-S272 PolarHBondContact O-N 2.82Å; K268-S272 PolarHBondContact O-OG 2.72Å
269	F	92.3	Very high	92.1	Very high	91 Å²	91	75.4 Å²	75.4	40%	0.399	38%	0.38	S	S	.	.	H	α-helix	trans	-63.8	-46.8	178.2	175.3	-93	0	0	0	111.4	L250 M254 E265 H266 D267 S272 H273	L250-F269 HydrophobicContact CD2-CE1 4.06Å; M254-F269 HydrophobicContact CE-CD1 3.65Å; M254-F269 HydrophobicContact CE-CE1 3.39Å; M254-F269 HydrophobicContact CE-CG 4.38Å; M254-F269 HydrophobicContact CE-CZ 3.9Å; M254-F269 HydrophobicContact CG-CD1 4.31Å; M254-F269 HydrophobicContact CG-CE1 3.75Å; M254-F269 HydrophobicContact SD-CE1 3.86Å; M254-F269 HydrophobicContact SD-CZ 4.35Å; E265-F269 WeakPolarHBondContact O-CB 3.41Å; E265-F269 PolarHBondContact O-N 3.23Å; H266-F269 WeakPolarHBondContact O-CB 3.49Å; H266-F269 PolarHBondContact O-N 3.12Å; H266-F269 VanDerWaalsContact O-N 3.14Å; D267-F269 VanDerWaalsContact C-N 3.29Å; D267-F269 PolarHBondContact O-N 3.07Å; F269-S272 PolarHBondContact O-N 2.95Å; F269-H273 PolarHBondContact O-N 3.48Å
270	I	91.6	Very high	92.6	Very high	1 Å²	1	74.7 Å²	74.7	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-61.3	-48.7	177.9	-63.6	-57.8	0	0	0	111.1	Y243 Y251 M254 H266 D267 S272 H273 A274	Y243-I270 HydrophobicContact CE2-CG2 4.24Å; Y251-I270 HydrophobicContact CD2-CB 4.22Å; Y251-I270 HydrophobicContact CD2-CD1 4.04Å; Y251-I270 HydrophobicContact CD2-CG1 3.83Å; Y251-I270 HydrophobicContact CD2-CG2 3.43Å; Y251-I270 VanDerWaalsContact CD2-CG2 3.43Å; Y251-I270 HydrophobicContact CE2-CB 4.24Å; Y251-I270 HydrophobicContact CE2-CG1 3.87Å; Y251-I270 HydrophobicContact CE2-CG2 3.72Å; Y251-I270 HydrophobicContact CG-CD1 4.1Å; Y251-I270 HydrophobicContact CG-CG1 4.32Å; Y251-I270 HydrophobicContact CG-CG2 4.44Å; M254-I270 HydrophobicContact CB-CD1 4.13Å; M254-I270 HydrophobicContact CG-CD1 4.36Å; H266-I270 WeakPolarHBondContact O-CG1 3.47Å; H266-I270 PolarHBondContact O-N 3.22Å; D267-I270 PolarHBondContact O-N 3.32Å; I270-S272 VanDerWaalsContact C-N 3.32Å; I270-S272 PolarHBondContact O-N 2.76Å; I270-H273 PolarHBondContact O-N 2.96Å; I270-A274 WeakPolarHBondContact O-CB 3.26Å; I270-A274 PolarHBondContact O-N 3.34Å
271	E	93.6	Very high	92.9	Very high	97 Å²	97	74.8 Å²	74.8	45%	0.453	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-40.7	178.7	-72.6	-63.6	160.1	0	0	112	Y243 D267 H273 A274 L275	Y243-E271 PolarHBondContact OH-OE1 2.91Å; D267-E271 WeakPolarHBondContact O-CB 3.47Å; D267-E271 WeakPolarHBondContact O-CG 3.36Å; D267-E271 PolarHBondContact O-N 3.07Å; E271-H273 VanDerWaalsContact C-N 3.31Å; E271-H273 PolarHBondContact O-N 3.06Å; E271-A274 PolarHBondContact O-N 2.95Å; E271-L275 WeakPolarHBondContact O-CB 3.35Å; E271-L275 PolarHBondContact O-N 3.4Å
272	S	94.6	Very high	93.2	Very high	76 Å²	76	75.2 Å²	75.2	53%	0.531	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-40.8	176.7	-59.8	0	0	0	0	111.6	K268 F269 I270 E276	K268-S272 VanDerWaalsContact O-CB 3.27Å; K268-S272 WeakPolarHBondContact O-CB 3.24Å; K268-S272 PolarHBondContact O-N 2.82Å; K268-S272 PolarHBondContact O-OG 2.72Å; F269-S272 PolarHBondContact O-N 2.95Å; I270-S272 VanDerWaalsContact C-N 3.32Å; I270-S272 PolarHBondContact O-N 2.76Å; S272-E276 WeakPolarHBondContact O-CB 3.4Å; S272-E276 PolarHBondContact O-N 2.81Å
273	H	93.4	Very high	93.6	Very high	55 Å²	55	78.5 Å²	78.5	26%	0.255	38%	0.378	S	S	.	.	H	α-helix	trans	-73	-35.8	177.7	-166.8	71.1	0	0	0	112.8	L250 F269 I270 E271 L275 E276 F277	L250-H273 HydrophobicContact CD2-CB 3.86Å; L250-H273 WeakPolarHBondContact CD2-CD2 3.22Å; F269-H273 PolarHBondContact O-N 3.48Å; I270-H273 PolarHBondContact O-N 2.96Å; E271-H273 VanDerWaalsContact C-N 3.31Å; E271-H273 PolarHBondContact O-N 3.06Å; H273-L275 VanDerWaalsContact C-N 3.33Å; H273-E276 IonicContact CE1-OE2 2.73Å; H273-E276 IonicContact ND1-OE2 3.03Å; H273-E276 PolarHBondContact ND1-OE2 3.23Å; H273-E276 VanDerWaalsContact ND1-OE2 3.15Å; H273-E276 PolarHBondContact O-N 3.28Å; H273-F277 WeakPolarHBondContact O-CB 3.43Å; H273-F277 PolarHBondContact O-N 3.18Å
274	A	94.1	Very high	93.9	Very high	8 Å²	8	82.8 Å²	82.8	7%	0.066	39%	0.393	C	S	.	.	H	α-helix	trans	-59.1	-46.9	172.9	0	0	0	0	0	110.9	Y243 V247 I270 E271 F277 E278	Y243-A274 HydrophobicContact CD1-CB 3.8Å; Y243-A274 HydrophobicContact CE1-CB 4.02Å; V247-A274 HydrophobicContact CG1-CB 3.95Å; I270-A274 WeakPolarHBondContact O-CB 3.26Å; I270-A274 PolarHBondContact O-N 3.34Å; E271-A274 PolarHBondContact O-N 2.95Å; A274-F277 WeakPolarHBondContact O-CB 3.13Å; A274-F277 PolarHBondContact O-N 2.81Å; A274-E278 WeakPolarHBondContact O-CG 3.34Å; A274-E278 PolarHBondContact O-N 2.82Å
275	L	95.5	Very high	94.1	Very high	100 Å²	100	83.4 Å²	83.4	52%	0.524	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-45.2	175.1	179.4	62.3	0	0	0	111.8	E271 H273 F277 E278 L279	E271-L275 WeakPolarHBondContact O-CB 3.35Å; E271-L275 PolarHBondContact O-N 3.4Å; H273-L275 VanDerWaalsContact C-N 3.33Å; L275-F277 VanDerWaalsContact C-N 3.31Å; L275-F277 PolarHBondContact O-N 3.17Å; L275-E278 PolarHBondContact O-N 3.17Å; L275-L279 HydrophobicContact CD1-CD1 4.29Å; L275-L279 HydrophobicContact CD1-CG 4.28Å; L275-L279 HydrophobicContact CG-CD1 4.06Å; L275-L279 HydrophobicContact CG-CG 4.46Å; L275-L279 WeakPolarHBondContact O-CB 3.37Å; L275-L279 VanDerWaalsContact O-CG 3.29Å; L275-L279 WeakPolarHBondContact O-CG 3.13Å; L275-L279 PolarHBondContact O-N 3.49Å
276	E	95.9	Very high	94.2	Very high	72 Å²	72	81.1 Å²	81.1	34%	0.336	38%	0.377	S	S	.	.	H	α-helix	trans	-57.2	-45.5	176	-172.7	-164.6	175.2	0	0	111.6	S272 H273 L279 R280	S272-E276 WeakPolarHBondContact O-CB 3.4Å; S272-E276 PolarHBondContact O-N 2.81Å; H273-E276 IonicContact CE1-OE2 2.73Å; H273-E276 IonicContact ND1-OE2 3.03Å; H273-E276 PolarHBondContact ND1-OE2 3.23Å; H273-E276 VanDerWaalsContact ND1-OE2 3.15Å; H273-E276 PolarHBondContact O-N 3.28Å; E276-L279 PolarHBondContact O-N 3.42Å; E276-R280 WeakPolarHBondContact O-CB 3.39Å; E276-R280 WeakPolarHBondContact O-CG 3.47Å; E276-R280 PolarHBondContact O-N 2.69Å; E276-R280 IonicContact OE1-CZ 2.86Å; E276-R280 IonicContact OE1-NE 3.39Å; E276-R280 PolarHBondContact OE1-NE 3.33Å; E276-R280 IonicContact OE1-NH2 3.15Å; E276-R280 PolarHBondContact OE1-NH2 3.12Å
277	F	95.3	Very high	94.5	Very high	45 Å²	45	86 Å²	86	20%	0.197	40%	0.4	C	S	.	.	H	α-helix	trans	-59.4	-47	177.4	175	-91.9	0	0	0	111.5	P244 E246 V247 H273 A274 L275 L279 R280 R281	P244-F277 HydrophobicContact CB-CD1 4.19Å; P244-F277 HydrophobicContact CB-CE1 3.57Å; P244-F277 HydrophobicContact CB-CZ 4.08Å; P244-F277 HydrophobicContact CG-CD1 3.88Å; P244-F277 HydrophobicContact CG-CE1 3.6Å; E246-F277 HydrophobicContact CB-CD2 4.23Å; E246-F277 HydrophobicContact CB-CE2 3.69Å; E246-F277 HydrophobicContact CB-CZ 4.23Å; E246-F277 HydrophobicContact CG-CE2 3.8Å; E246-F277 HydrophobicContact CG-CZ 4.2Å; E246-F277 WeakPolarHBondContact OE2-CZ 3.43Å; V247-F277 HydrophobicContact CG2-CB 3.91Å; V247-F277 HydrophobicContact CG2-CD1 4.13Å; V247-F277 HydrophobicContact CG2-CD2 4.45Å; V247-F277 HydrophobicContact CG2-CG 3.91Å; H273-F277 WeakPolarHBondContact O-CB 3.43Å; H273-F277 PolarHBondContact O-N 3.18Å; A274-F277 WeakPolarHBondContact O-CB 3.13Å; A274-F277 PolarHBondContact O-N 2.81Å; L275-F277 VanDerWaalsContact C-N 3.31Å; L275-F277 PolarHBondContact O-N 3.17Å; F277-L279 PolarHBondContact O-N 3.05Å; F277-R280 PolarHBondContact O-N 3.39Å; F277-R281 WeakPolarHBondContact O-CB 3.3Å; F277-R281 PolarHBondContact O-N 3.27Å
278	E	95.3	Very high	94.8	Very high	95 Å²	95	84.9 Å²	84.9	44%	0.444	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-43.9	177.3	-72.8	-173.7	171.4	0	0	112.2	A274 L275 R281 E282	A274-E278 WeakPolarHBondContact O-CG 3.34Å; A274-E278 PolarHBondContact O-N 2.82Å; L275-E278 PolarHBondContact O-N 3.17Å; E278-R281 WeakPolarHBondContact O-CB 3.15Å; E278-R281 PolarHBondContact O-N 3.35Å; E278-E282 WeakPolarHBondContact O-CB 3.36Å; E278-E282 PolarHBondContact O-N 3.1Å
279	L	96.9	Very high	94.8	Very high	97 Å²	97	79.1 Å²	79.1	51%	0.508	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	-44.6	177.2	-70.8	172.7	0	0	0	111.7	L275 E276 F277 R281 E282 I283	L275-L279 HydrophobicContact CD1-CD1 4.29Å; L275-L279 HydrophobicContact CD1-CG 4.28Å; L275-L279 HydrophobicContact CG-CD1 4.06Å; L275-L279 HydrophobicContact CG-CG 4.46Å; L275-L279 WeakPolarHBondContact O-CB 3.37Å; L275-L279 VanDerWaalsContact O-CG 3.29Å; L275-L279 WeakPolarHBondContact O-CG 3.13Å; L275-L279 PolarHBondContact O-N 3.49Å; E276-L279 PolarHBondContact O-N 3.42Å; F277-L279 PolarHBondContact O-N 3.05Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 3.24Å; L279-E282 PolarHBondContact O-N 2.73Å; L279-I283 WeakPolarHBondContact O-CB 3.23Å; L279-I283 VanDerWaalsContact O-CG1 3.23Å; L279-I283 WeakPolarHBondContact O-CG1 3.49Å; L279-I283 PolarHBondContact O-N 3.03Å
280	R	96.4	Very high	94.9	Very high	165 Å²	165	84.4 Å²	84.4	62%	0.623	38%	0.384	S	S	*	.	H	α-helix	trans	-61.5	-41.6	175.8	-74.6	-180	179.5	-148.1	2.1	111.5	E276 F277 K284	E276-R280 WeakPolarHBondContact O-CB 3.39Å; E276-R280 WeakPolarHBondContact O-CG 3.47Å; E276-R280 PolarHBondContact O-N 2.69Å; E276-R280 IonicContact OE1-CZ 2.86Å; E276-R280 IonicContact OE1-NE 3.39Å; E276-R280 PolarHBondContact OE1-NE 3.33Å; E276-R280 IonicContact OE1-NH2 3.15Å; E276-R280 PolarHBondContact OE1-NH2 3.12Å; F277-R280 PolarHBondContact O-N 3.39Å; R280-K284 WeakPolarHBondContact O-CB 3.19Å; R280-K284 PolarHBondContact O-N 2.96Å
281	R	94.8	Very high	95.1	Very high	143 Å²	143	90.3 Å²	90.3	54%	0.54	42%	0.42	S	S	.	.	H	α-helix	trans	-62.1	-44.2	175.7	-171.7	-177.7	71.9	-173.4	-2.7	111.1	F277 E278 L279 K284 R285	F277-R281 WeakPolarHBondContact O-CB 3.3Å; F277-R281 PolarHBondContact O-N 3.27Å; E278-R281 WeakPolarHBondContact O-CB 3.15Å; E278-R281 PolarHBondContact O-N 3.35Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 3.24Å; R281-K284 PolarHBondContact O-N 3.26Å; R281-R285 WeakPolarHBondContact O-CB 3.33Å; R281-R285 PolarHBondContact O-N 3.32Å
282	E	95.4	Very high	95	Very high	61 Å²	61	88.1 Å²	88.1	29%	0.285	42%	0.419	S	S	.	.	H	α-helix	trans	-67.6	-43.4	179.6	-174.3	58.5	-164	0	0	112.2	E278 L279 K284 R285 L286	E278-E282 WeakPolarHBondContact O-CB 3.36Å; E278-E282 PolarHBondContact O-N 3.1Å; L279-E282 PolarHBondContact O-N 2.73Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.44Å; E282-R285 WeakPolarHBondContact O-CB 3.33Å; E282-R285 PolarHBondContact O-N 3.25Å; E282-R285 VanDerWaalsContact O-N 3.16Å; E282-R285 IonicContact OE1-CZ 2.72Å; E282-R285 IonicContact OE1-NE 3.97Å; E282-R285 PolarHBondContact OE1-NE 3.21Å; E282-R285 IonicContact OE1-NH2 3.42Å; E282-R285 PolarHBondContact OE1-NH2 3.2Å; E282-R285 IonicContact OE2-CZ 2.9Å; E282-R285 IonicContact OE2-NE 3.12Å; E282-R285 PolarHBondContact OE2-NE 3.36Å; E282-R285 IonicContact OE2-NH2 2.82Å; E282-R285 PolarHBondContact OE2-NH2 3.37Å; E282-L286 HydrophobicContact CG-CD1 4.23Å; E282-L286 HydrophobicContact CG-CG 4.48Å; E282-L286 WeakPolarHBondContact O-CG 3.43Å; E282-L286 PolarHBondContact O-N 3.15Å
283	I	96.8	Very high	95	Very high	93 Å²	93	87.3 Å²	87.3	48%	0.477	42%	0.423	S	S	.	.	H	α-helix	trans	-57	-47	174.7	-71.4	164.8	0	0	0	110.2	L279 R285 L286 Q287	L279-I283 WeakPolarHBondContact O-CB 3.23Å; L279-I283 VanDerWaalsContact O-CG1 3.23Å; L279-I283 WeakPolarHBondContact O-CG1 3.49Å; L279-I283 PolarHBondContact O-N 3.03Å; I283-R285 VanDerWaalsContact C-N 3.35Å; I283-R285 PolarHBondContact O-N 2.67Å; I283-L286 PolarHBondContact O-N 3.39Å; I283-Q287 HydrophobicContact CG2-CG 4.4Å; I283-Q287 WeakPolarHBondContact O-CB 3.37Å; I283-Q287 VanDerWaalsContact O-CG 3.26Å; I283-Q287 WeakPolarHBondContact O-CG 3.19Å; I283-Q287 PolarHBondContact O-N 2.97Å
284	K	96.1	Very high	95.1	Very high	129 Å²	129	86 Å²	86	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-61.2	-43.5	177.5	-172.6	179.1	177	-177.4	0	111.5	R280 R281 E282 L286 Q287 E288	R280-K284 WeakPolarHBondContact O-CB 3.19Å; R280-K284 PolarHBondContact O-N 2.96Å; R281-K284 PolarHBondContact O-N 3.26Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.44Å; K284-L286 PolarHBondContact O-N 3.41Å; K284-Q287 PolarHBondContact O-N 3.35Å; K284-E288 WeakPolarHBondContact O-CG 3.47Å; K284-E288 PolarHBondContact O-N 3.4Å
285	R	93.9	Very high	95	Very high	94 Å²	94	92.1 Å²	92.1	36%	0.355	45%	0.454	S	S	.	.	H	α-helix	trans	-59.4	-45.8	176.4	-172.9	174.5	73.7	142.4	-0.6	112	R281 E282 I283 E288 Y289 D304	R281-R285 WeakPolarHBondContact O-CB 3.33Å; R281-R285 PolarHBondContact O-N 3.32Å; E282-R285 WeakPolarHBondContact O-CB 3.33Å; E282-R285 PolarHBondContact O-N 3.25Å; E282-R285 VanDerWaalsContact O-N 3.16Å; E282-R285 IonicContact OE1-CZ 2.72Å; E282-R285 IonicContact OE1-NE 3.97Å; E282-R285 PolarHBondContact OE1-NE 3.21Å; E282-R285 IonicContact OE1-NH2 3.42Å; E282-R285 PolarHBondContact OE1-NH2 3.2Å; E282-R285 IonicContact OE2-CZ 2.9Å; E282-R285 IonicContact OE2-NE 3.12Å; E282-R285 PolarHBondContact OE2-NE 3.36Å; E282-R285 IonicContact OE2-NH2 2.82Å; E282-R285 PolarHBondContact OE2-NH2 3.37Å; I283-R285 VanDerWaalsContact C-N 3.35Å; I283-R285 PolarHBondContact O-N 2.67Å; R285-E288 WeakPolarHBondContact O-CB 3.02Å; R285-E288 PolarHBondContact O-N 3.43Å; R285-Y289 WeakPolarHBondContact CD-OH 3.48Å; R285-Y289 HydrophobicContact CG-CE1 4.23Å; R285-Y289 HydrophobicContact CG-CE2 3.95Å; R285-Y289 PolarHBondContact O-N 3.17Å; R285-Y289 VanDerWaalsContact O-N 3.1Å; R285-D304 IonicContact NH1-OD2 2.66Å
286	L	94.7	Very high	94.8	Very high	61 Å²	61	91.3 Å²	91.3	32%	0.319	45%	0.45	S	S	.	.	H	α-helix	trans	-67	-36.6	177.6	-66.4	174.1	0	0	0	112.4	E282 I283 K284 Y289 R290 F297	E282-L286 HydrophobicContact CG-CD1 4.23Å; E282-L286 HydrophobicContact CG-CG 4.48Å; E282-L286 WeakPolarHBondContact O-CG 3.43Å; E282-L286 PolarHBondContact O-N 3.15Å; I283-L286 PolarHBondContact O-N 3.39Å; K284-L286 PolarHBondContact O-N 3.41Å; L286-Y289 HydrophobicContact CD2-CD2 4.1Å; L286-Y289 HydrophobicContact CD2-CE2 4.34Å; L286-Y289 PolarHBondContact O-N 3.02Å; L286-R290 WeakPolarHBondContact O-CG 3.44Å; L286-R290 PolarHBondContact O-N 2.93Å; L286-R290 VanDerWaalsContact O-N 3.16Å; L286-F297 HydrophobicContact CD2-CE1 4.12Å
287	Q	95.8	Very high	94.6	Very high	109 Å²	109	95 Å²	95	51%	0.509	47%	0.466	S	S	.	.	H	α-helix	trans	-63.2	-42.6	172.7	-74	172.1	-11.2	0	0	111.2	I283 K284 Y289 R290 T291	I283-Q287 HydrophobicContact CG2-CG 4.4Å; I283-Q287 WeakPolarHBondContact O-CB 3.37Å; I283-Q287 VanDerWaalsContact O-CG 3.26Å; I283-Q287 WeakPolarHBondContact O-CG 3.19Å; I283-Q287 PolarHBondContact O-N 2.97Å; K284-Q287 PolarHBondContact O-N 3.35Å; Q287-Y289 PolarHBondContact O-N 3.16Å; Q287-R290 PolarHBondContact O-N 3.36Å; Q287-T291 WeakPolarHBondContact O-CG2 3.49Å; Q287-T291 PolarHBondContact O-N 3.39Å
288	E	94.7	Very high	94.4	Very high	57 Å²	57	97.7 Å²	97.7	27%	0.266	49%	0.488	S	S	.	.	H	α-helix	trans	-58.8	-44.7	175.2	-74.4	177.8	-163.9	0	0	111.7	K284 R285 R290 T291 A292 K307	K284-E288 WeakPolarHBondContact O-CG 3.47Å; K284-E288 PolarHBondContact O-N 3.4Å; R285-E288 WeakPolarHBondContact O-CB 3.02Å; R285-E288 PolarHBondContact O-N 3.43Å; E288-R290 VanDerWaalsContact C-N 3.33Å; E288-R290 PolarHBondContact O-N 2.99Å; E288-T291 WeakPolarHBondContact CA-OG1 3.19Å; E288-T291 PolarHBondContact O-N 3.29Å; E288-T291 PolarHBondContact O-OG1 2.92Å; E288-A292 WeakPolarHBondContact O-CB 3.43Å; E288-A292 PolarHBondContact O-N 2.9Å; E288-K307 IonicContact OE2-NZ 3.8Å; E288-K307 PolarHBondContact OE2-NZ 3.45Å
289	Y	94.6	Very high	94.1	Very high	12 Å²	12	95.1 Å²	95.1	5%	0.047	48%	0.481	C	S	.	.	H	α-helix	trans	-57.1	-45.6	174.7	-64.7	-22.4	0	0	0	112.4	R285 L286 Q287 T291 A292 G293 I294 A300 Y303 D304	R285-Y289 WeakPolarHBondContact CD-OH 3.48Å; R285-Y289 HydrophobicContact CG-CE1 4.23Å; R285-Y289 HydrophobicContact CG-CE2 3.95Å; R285-Y289 PolarHBondContact O-N 3.17Å; R285-Y289 VanDerWaalsContact O-N 3.1Å; L286-Y289 HydrophobicContact CD2-CD2 4.1Å; L286-Y289 HydrophobicContact CD2-CE2 4.34Å; L286-Y289 PolarHBondContact O-N 3.02Å; Q287-Y289 PolarHBondContact O-N 3.16Å; Y289-T291 VanDerWaalsContact C-N 3.34Å; Y289-T291 PolarHBondContact O-N 3.39Å; Y289-A292 CarbonylContact O-C 3.54Å; Y289-A292 PolarHBondContact O-N 3.3Å; Y289-A292 VanDerWaalsContact O-N 3.17Å; Y289-G293 PolarHBondContact O-N 2.92Å; Y289-G293 VanDerWaalsContact O-N 3.17Å; Y289-I294 HydrophobicContact CD1-CD1 4.04Å; Y289-I294 HydrophobicContact CG-CG2 4.46Å; Y289-I294 WeakPolarHBondContact O-CB 3.37Å; Y289-I294 PolarHBondContact O-N 3.41Å; Y289-A300 HydrophobicContact CD1-CB 4.46Å; Y289-A300 HydrophobicContact CD2-CB 3.97Å; Y289-A300 HydrophobicContact CE1-CB 4.21Å; Y289-A300 HydrophobicContact CE2-CB 3.69Å; Y289-A300 HydrophobicContact CG-CB 4.36Å; Y289-Y303 AromaticContact CD1-CD1 3.9Å; Y289-Y303 HydrophobicContact CD1-CD1 3.9Å; Y289-Y303 HydrophobicContact CD1-CE1 4.07Å; Y289-Y303 AromaticContact CE1-CD1 3.7Å; Y289-Y303 HydrophobicContact CE1-CD1 3.7Å; Y289-Y303 HydrophobicContact CE1-CE1 4.05Å; Y289-D304 VanDerWaalsContact CE1-OD1 3.23Å; Y289-D304 WeakPolarHBondContact CE1-OD1 3.4Å; Y289-D304 PolarHBondContact OH-OD1 2.91Å; Y289-D304 PolarHBondContact OH-OD2 3.49Å
290	R	93.7	Very high	94	Very high	203 Å²	203	90.6 Å²	90.6	77%	0.766	46%	0.458	S	S	*	.	H	α-helix	trans	-61.2	-42.8	177	-70.9	179.3	178.2	177.8	0.3	111.8	L286 Q287 E288 A292 G293	L286-R290 WeakPolarHBondContact O-CG 3.44Å; L286-R290 PolarHBondContact O-N 2.93Å; L286-R290 VanDerWaalsContact O-N 3.16Å; Q287-R290 PolarHBondContact O-N 3.36Å; E288-R290 VanDerWaalsContact C-N 3.33Å; E288-R290 PolarHBondContact O-N 2.99Å; R290-A292 VanDerWaalsContact C-N 3.27Å; R290-A292 PolarHBondContact O-N 2.87Å; R290-G293 PolarHBondContact O-N 3.22Å; R290-G293 VanDerWaalsContact O-N 3.1Å
291	T	95.3	Very high	93.8	Very high	125 Å²	125	92.1 Å²	92.1	77%	0.767	46%	0.464	S	S	*	.	H	α-helix	trans	-66	-30.5	177	59.9	0	0	0	0	113	Q287 E288 Y289 G293	Q287-T291 WeakPolarHBondContact O-CG2 3.49Å; Q287-T291 PolarHBondContact O-N 3.39Å; E288-T291 WeakPolarHBondContact CA-OG1 3.19Å; E288-T291 PolarHBondContact O-N 3.29Å; E288-T291 PolarHBondContact O-OG1 2.92Å; Y289-T291 VanDerWaalsContact C-N 3.34Å; Y289-T291 PolarHBondContact O-N 3.39Å; T291-G293 PolarHBondContact O-N 2.96Å
292	A	92.9	Very high	93.7	Very high	50 Å²	50	89.3 Å²	89.3	41%	0.413	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0.7	175.1	0	0	0	0	0	113.4	E288 Y289 R290 I294 Y303	E288-A292 WeakPolarHBondContact O-CB 3.43Å; E288-A292 PolarHBondContact O-N 2.9Å; Y289-A292 CarbonylContact O-C 3.54Å; Y289-A292 PolarHBondContact O-N 3.3Å; Y289-A292 VanDerWaalsContact O-N 3.17Å; R290-A292 VanDerWaalsContact C-N 3.27Å; R290-A292 PolarHBondContact O-N 2.87Å; A292-I294 VanDerWaalsContact C-N 3.34Å; A292-I294 HydrophobicContact CB-CD1 4.02Å; A292-I294 HydrophobicContact CB-CG1 4.18Å; A292-Y303 HydrophobicContact CB-CE2 4.01Å
293	G	94.3	Very high	93.6	Very high	60 Å²	60	89.3 Å²	89.3	62%	0.619	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	16.1	-179	0	0	0	0	0	114.7	Y289 R290 T291	Y289-G293 PolarHBondContact O-N 2.92Å; Y289-G293 VanDerWaalsContact O-N 3.17Å; R290-G293 PolarHBondContact O-N 3.22Å; R290-G293 VanDerWaalsContact O-N 3.1Å; T291-G293 PolarHBondContact O-N 2.96Å
294	I	94.8	Very high	93.4	Very high	27 Å²	27	87.5 Å²	87.5	14%	0.138	45%	0.451	C	S	.	.			trans	-84.9	121.5	-178.8	-62.3	170	0	0	0	109.2	Y289 A292 S299 A300 Y303	Y289-I294 HydrophobicContact CD1-CD1 4.04Å; Y289-I294 HydrophobicContact CG-CG2 4.46Å; Y289-I294 WeakPolarHBondContact O-CB 3.37Å; Y289-I294 PolarHBondContact O-N 3.41Å; A292-I294 VanDerWaalsContact C-N 3.34Å; A292-I294 HydrophobicContact CB-CD1 4.02Å; A292-I294 HydrophobicContact CB-CG1 4.18Å; I294-S299 WeakPolarHBondContact CG2-OG 3.38Å; I294-A300 HydrophobicContact CG2-CB 4Å; I294-Y303 HydrophobicContact CD1-CD1 3.73Å; I294-Y303 HydrophobicContact CD1-CD2 3.49Å; I294-Y303 VanDerWaalsContact CD1-CD2 3.49Å; I294-Y303 HydrophobicContact CD1-CE1 4.34Å; I294-Y303 HydrophobicContact CD1-CE2 4.12Å; I294-Y303 HydrophobicContact CD1-CG 3.25Å
295	T	92	Very high	93.2	Very high	137 Å²	137	87.3 Å²	87.3	84%	0.84	45%	0.452	S	S	*	.			trans	-112.9	-8.7	-175.2	57.3	0	0	0	0	114
296	N	92.1	Very high	93.2	Very high	82 Å²	82	87.5 Å²	87.5	44%	0.439	46%	0.46	S	S	.	.	S	Bend	trans	-134.9	151	-178.9	67.7	60.9	0	0	0	112.5	C298 S299 A300	N296-C298 PolarHBondContact O-N 3.41Å; N296-C298 PolarHBondContact OD1-N 2.79Å; N296-S299 PolarHBondContact O-N 2.97Å; N296-S299 PolarHBondContact O-OG 2.74Å; N296-S299 WeakPolarHBondContact OD1-CB 3.38Å; N296-S299 PolarHBondContact OD1-N 2.86Å; N296-S299 PolarHBondContact OD1-OG 3.12Å; N296-A300 PolarHBondContact O-N 2.81Å; N296-A300 VanDerWaalsContact O-N 3.12Å
297	F	90.9	Very high	93.1	Very high	151 Å²	151	87.1 Å²	87.1	66%	0.662	46%	0.456	S	S	*	.	H	α-helix	trans	-70.8	-26.4	-175.9	-72.9	-72.5	0	0	0	114.4	L286 A300 R301	L286-F297 HydrophobicContact CD2-CE1 4.12Å; F297-A300 WeakPolarHBondContact O-CB 3.43Å; F297-A300 PolarHBondContact O-N 2.77Å; F297-R301 PolarHBondContact O-N 3.06Å; F297-R301 VanDerWaalsContact O-N 3.09Å
298	C	90.2	Very high	93	Very high	100 Å²	100	87.9 Å²	87.9	68%	0.676	46%	0.457	S	S	*	.	H	α-helix	trans	-62.4	-47.4	174.1	-86.7	0	0	0	0	111.3	N296 A300 R301 T302	N296-C298 PolarHBondContact O-N 3.41Å; N296-C298 PolarHBondContact OD1-N 2.79Å; C298-A300 VanDerWaalsContact C-N 3.33Å; C298-R301 PolarHBondContact O-N 3.36Å; C298-T302 PolarHBondContact O-N 3.48Å
299	S	91	Very high	92.9	Very high	41 Å²	41	87.8 Å²	87.8	29%	0.287	46%	0.46	S	S	.	.	H	α-helix	trans	-68.5	-31.5	175.9	57.8	0	0	0	0	112.3	I294 N296 R301 T302 Y303	I294-S299 WeakPolarHBondContact CG2-OG 3.38Å; N296-S299 PolarHBondContact O-N 2.97Å; N296-S299 PolarHBondContact O-OG 2.74Å; N296-S299 WeakPolarHBondContact OD1-CB 3.38Å; N296-S299 PolarHBondContact OD1-N 2.86Å; N296-S299 PolarHBondContact OD1-OG 3.12Å; S299-R301 PolarHBondContact O-N 3.02Å; S299-T302 PolarHBondContact O-N 3.43Å; S299-Y303 WeakPolarHBondContact O-CB 3.45Å; S299-Y303 PolarHBondContact O-N 2.95Å
300	A	93.5	Very high	92.8	Very high	3 Å²	3	95.4 Å²	95.4	3%	0.025	49%	0.489	C	S	.	.	H	α-helix	trans	-59.4	-42.5	171.7	0	0	0	0	0	112.4	Y289 I294 N296 F297 C298 T302 Y303 D304	Y289-A300 HydrophobicContact CD1-CB 4.46Å; Y289-A300 HydrophobicContact CD2-CB 3.97Å; Y289-A300 HydrophobicContact CE1-CB 4.21Å; Y289-A300 HydrophobicContact CE2-CB 3.69Å; Y289-A300 HydrophobicContact CG-CB 4.36Å; I294-A300 HydrophobicContact CG2-CB 4Å; N296-A300 PolarHBondContact O-N 2.81Å; N296-A300 VanDerWaalsContact O-N 3.12Å; F297-A300 WeakPolarHBondContact O-CB 3.43Å; F297-A300 PolarHBondContact O-N 2.77Å; C298-A300 VanDerWaalsContact C-N 3.33Å; A300-T302 PolarHBondContact O-N 3.35Å; A300-Y303 PolarHBondContact O-N 2.93Å; A300-D304 PolarHBondContact O-N 3.44Å
301	R	91.8	Very high	92.6	Very high	197 Å²	197	90.3 Å²	90.3	74%	0.743	47%	0.474	S	S	*	.	H	α-helix	trans	-60.8	-44.4	175.5	-73.9	180	62.4	-163.7	-2	112.3	F297 C298 S299 Y303 H305	F297-R301 PolarHBondContact O-N 3.06Å; F297-R301 VanDerWaalsContact O-N 3.09Å; C298-R301 PolarHBondContact O-N 3.36Å; S299-R301 PolarHBondContact O-N 3.02Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; R301-H305 PolarHBondContact O-N 3.41Å; R301-H305 VanDerWaalsContact O-N 3.1Å
302	T	92.4	Very high	92.3	Very high	84 Å²	84	88.5 Å²	88.5	52%	0.515	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-41.2	176.8	-53.8	0	0	0	0	111	C298 S299 A300 H305 L306	C298-T302 PolarHBondContact O-N 3.48Å; S299-T302 PolarHBondContact O-N 3.43Å; A300-T302 PolarHBondContact O-N 3.35Å; T302-H305 PolarHBondContact O-N 3.25Å; T302-L306 HydrophobicContact CG2-CD1 3.98Å; T302-L306 HydrophobicContact CG2-CG 4.42Å; T302-L306 WeakPolarHBondContact O-CB 3.4Å; T302-L306 VanDerWaalsContact O-CG 3.29Å; T302-L306 WeakPolarHBondContact O-CG 3.49Å; T302-L306 PolarHBondContact O-N 3.39Å
303	Y	93.8	Very high	92.1	Very high	61 Å²	61	89.7 Å²	89.7	24%	0.239	45%	0.454	C	S	.	.	H	α-helix	trans	-61.6	-47.5	175.8	173.5	-94.6	0	0	0	112.2	Y289 A292 I294 S299 A300 R301 H305 L306 K307	Y289-Y303 AromaticContact CD1-CD1 3.9Å; Y289-Y303 HydrophobicContact CD1-CD1 3.9Å; Y289-Y303 HydrophobicContact CD1-CE1 4.07Å; Y289-Y303 AromaticContact CE1-CD1 3.7Å; Y289-Y303 HydrophobicContact CE1-CD1 3.7Å; Y289-Y303 HydrophobicContact CE1-CE1 4.05Å; A292-Y303 HydrophobicContact CB-CE2 4.01Å; I294-Y303 HydrophobicContact CD1-CD1 3.73Å; I294-Y303 HydrophobicContact CD1-CD2 3.49Å; I294-Y303 VanDerWaalsContact CD1-CD2 3.49Å; I294-Y303 HydrophobicContact CD1-CE1 4.34Å; I294-Y303 HydrophobicContact CD1-CE2 4.12Å; I294-Y303 HydrophobicContact CD1-CG 3.25Å; S299-Y303 WeakPolarHBondContact O-CB 3.45Å; S299-Y303 PolarHBondContact O-N 2.95Å; A300-Y303 PolarHBondContact O-N 2.93Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; Y303-H305 VanDerWaalsContact C-N 3.3Å; Y303-H305 PolarHBondContact O-N 2.92Å; Y303-L306 PolarHBondContact O-N 2.96Å; Y303-K307 HydrophobicContact CE1-CB 4.42Å; Y303-K307 HydrophobicContact CE1-CD 3.79Å; Y303-K307 WeakPolarHBondContact O-CB 3.18Å; Y303-K307 PolarHBondContact O-N 3.24Å
304	D	93.1	Very high	91.8	Very high	54 Å²	54	95.1 Å²	95.1	29%	0.289	46%	0.456	S	S	.	.	H	α-helix	trans	-57.9	-45	177.1	-77.8	-8.3	0	0	0	111.2	R285 Y289 A300 K307 K308	R285-D304 IonicContact NH1-OD2 2.66Å; Y289-D304 VanDerWaalsContact CE1-OD1 3.23Å; Y289-D304 WeakPolarHBondContact CE1-OD1 3.4Å; Y289-D304 PolarHBondContact OH-OD1 2.91Å; Y289-D304 PolarHBondContact OH-OD2 3.49Å; A300-D304 PolarHBondContact O-N 3.44Å; D304-K307 PolarHBondContact O-N 3.02Å; D304-K308 VanDerWaalsContact O-CB 3.31Å; D304-K308 WeakPolarHBondContact O-CB 3.46Å; D304-K308 PolarHBondContact O-N 2.98Å
305	H	92.8	Very high	91.4	Very high	126 Å²	126	98.7 Å²	98.7	58%	0.583	48%	0.475	S	S	*	.	H	α-helix	trans	-60.7	-51	177.7	-175.9	65.6	0	0	0	111.3	R301 T302 Y303 K307 K308 T309	R301-H305 PolarHBondContact O-N 3.41Å; R301-H305 VanDerWaalsContact O-N 3.1Å; T302-H305 PolarHBondContact O-N 3.25Å; Y303-H305 VanDerWaalsContact C-N 3.3Å; Y303-H305 PolarHBondContact O-N 2.92Å; H305-K307 VanDerWaalsContact C-N 3.34Å; H305-K307 PolarHBondContact O-N 3.32Å; H305-K308 PolarHBondContact O-N 3.4Å; H305-T309 PolarHBondContact O-N 2.9Å; H305-T309 PolarHBondContact O-OG1 2.61Å; H305-T309 VanDerWaalsContact O-OG1 3.05Å
306	L	93.5	Very high	91	Very high	98 Å²	98	97.9 Å²	97.9	51%	0.513	46%	0.46	S	S	.	.	H	α-helix	trans	-65.4	-36.3	179.1	-68.7	173.9	0	0	0	112.6	T302 Y303 R310	T302-L306 HydrophobicContact CG2-CD1 3.98Å; T302-L306 HydrophobicContact CG2-CG 4.42Å; T302-L306 WeakPolarHBondContact O-CB 3.4Å; T302-L306 VanDerWaalsContact O-CG 3.29Å; T302-L306 WeakPolarHBondContact O-CG 3.49Å; T302-L306 PolarHBondContact O-N 3.39Å; Y303-L306 PolarHBondContact O-N 2.96Å; L306-R310 VanDerWaalsContact O-CB 3.28Å; L306-R310 WeakPolarHBondContact O-CB 3.39Å; L306-R310 PolarHBondContact O-N 2.83Å
307	K	93	Very high	90.6	Very high	53 Å²	53	102.5 Å²	102.5	23%	0.23	47%	0.471	C	S	.	.	H	α-helix	trans	-64.4	-47.8	176	-176.6	-179	178.5	-171.2	0	110.1	E288 Y303 D304 H305 R310 E311	E288-K307 IonicContact OE2-NZ 3.8Å; E288-K307 PolarHBondContact OE2-NZ 3.45Å; Y303-K307 HydrophobicContact CE1-CB 4.42Å; Y303-K307 HydrophobicContact CE1-CD 3.79Å; Y303-K307 WeakPolarHBondContact O-CB 3.18Å; Y303-K307 PolarHBondContact O-N 3.24Å; D304-K307 PolarHBondContact O-N 3.02Å; H305-K307 VanDerWaalsContact C-N 3.34Å; H305-K307 PolarHBondContact O-N 3.32Å; K307-R310 WeakPolarHBondContact O-CB 3.38Å; K307-R310 PolarHBondContact O-N 2.87Å; K307-E311 VanDerWaalsContact CE-OE1 3.23Å; K307-E311 WeakPolarHBondContact CE-OE1 3.4Å; K307-E311 WeakPolarHBondContact O-CG 3.35Å; K307-E311 PolarHBondContact O-N 2.93Å
308	K	92.6	Very high	90.2	Very high	124 Å²	124	98.5 Å²	98.5	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-58.6	-49.3	175.5	-177.3	175.8	174.5	177.8	0	111.4	D304 H305 R310 E311 E312	D304-K308 VanDerWaalsContact O-CB 3.31Å; D304-K308 WeakPolarHBondContact O-CB 3.46Å; D304-K308 PolarHBondContact O-N 2.98Å; H305-K308 PolarHBondContact O-N 3.4Å; K308-R310 VanDerWaalsContact C-N 3.3Å; K308-R310 PolarHBondContact O-N 3.18Å; K308-E311 PolarHBondContact O-N 3.41Å; K308-E312 WeakPolarHBondContact CE-OE1 3.46Å; K308-E312 HydrophobicContact CG-CG 4.5Å; K308-E312 WeakPolarHBondContact O-CG 3.27Å; K308-E312 PolarHBondContact O-N 3.48Å
309	T	92.6	Very high	89.8	Confident	55 Å²	55	96.1 Å²	96.1	34%	0.337	44%	0.438	S	S	.	.	H	α-helix	trans	-59.2	-41.9	176.2	-55.8	0	0	0	0	111.7	H305 E312 E313	H305-T309 PolarHBondContact O-N 2.9Å; H305-T309 PolarHBondContact O-OG1 2.61Å; H305-T309 VanDerWaalsContact O-OG1 3.05Å; T309-E312 PolarHBondContact O-N 3.04Å; T309-E313 HydrophobicContact CG2-CG 4.47Å; T309-E313 WeakPolarHBondContact O-CB 3.49Å; T309-E313 VanDerWaalsContact O-CG 3.31Å; T309-E313 WeakPolarHBondContact O-CG 3.23Å; T309-E313 PolarHBondContact O-N 2.94Å
310	R	92.4	Very high	89.4	Confident	172 Å²	172	99.5 Å²	99.5	65%	0.649	45%	0.453	S	S	*	.	H	α-helix	trans	-63.9	-40.8	176.9	-175.2	-174.8	-64.1	153.7	0.1	112.1	L306 K307 K308 R314	L306-R310 VanDerWaalsContact O-CB 3.28Å; L306-R310 WeakPolarHBondContact O-CB 3.39Å; L306-R310 PolarHBondContact O-N 2.83Å; K307-R310 WeakPolarHBondContact O-CB 3.38Å; K307-R310 PolarHBondContact O-N 2.87Å; K308-R310 VanDerWaalsContact C-N 3.3Å; K308-R310 PolarHBondContact O-N 3.18Å; R310-R314 VanDerWaalsContact O-CB 3.31Å; R310-R314 WeakPolarHBondContact O-CB 3.44Å; R310-R314 PolarHBondContact O-N 3.48Å
311	E	90.3	Very high	88.9	Confident	96 Å²	96	103.1 Å²	103.1	45%	0.449	48%	0.478	S	S	.	.	H	α-helix	trans	-66.7	-44	177.2	-75.2	173.3	179.6	0	0	111.6	K307 K308 R314 L315	K307-E311 VanDerWaalsContact CE-OE1 3.23Å; K307-E311 WeakPolarHBondContact CE-OE1 3.4Å; K307-E311 WeakPolarHBondContact O-CG 3.35Å; K307-E311 PolarHBondContact O-N 2.93Å; K308-E311 PolarHBondContact O-N 3.41Å; E311-R314 WeakPolarHBondContact O-CB 3.19Å; E311-R314 PolarHBondContact O-N 2.89Å; E311-L315 WeakPolarHBondContact O-CD1 3.42Å; E311-L315 PolarHBondContact O-N 2.81Å
312	E	89.1	Confident	88.4	Confident	87 Å²	87	97.7 Å²	97.7	41%	0.407	46%	0.461	S	S	.	.	H	α-helix	trans	-59.9	-47.4	174.3	-73	171.3	178.5	0	0	111.5	K308 T309 R314 L315 K316	K308-E312 WeakPolarHBondContact CE-OE1 3.46Å; K308-E312 HydrophobicContact CG-CG 4.5Å; K308-E312 WeakPolarHBondContact O-CG 3.27Å; K308-E312 PolarHBondContact O-N 3.48Å; T309-E312 PolarHBondContact O-N 3.04Å; E312-R314 VanDerWaalsContact C-N 3.32Å; E312-R314 PolarHBondContact O-N 3.1Å; E312-L315 WeakPolarHBondContact O-CB 3.49Å; E312-L315 PolarHBondContact O-N 2.81Å; E312-K316 WeakPolarHBondContact O-CG 3.15Å; E312-K316 PolarHBondContact O-N 2.89Å
313	E	88.1	Confident	88	Confident	75 Å²	75	94.7 Å²	94.7	35%	0.35	44%	0.442	S	S	.	.	H	α-helix	trans	-64.3	-36.5	175.7	-73.8	-59.3	124.8	0	0	112.1	T309 K316 R317	T309-E313 HydrophobicContact CG2-CG 4.47Å; T309-E313 WeakPolarHBondContact O-CB 3.49Å; T309-E313 VanDerWaalsContact O-CG 3.31Å; T309-E313 WeakPolarHBondContact O-CG 3.23Å; T309-E313 PolarHBondContact O-N 2.94Å; E313-K316 PolarHBondContact O-N 3.38Å; E313-K316 WeakPolarHBondContact OE1-CD 3.13Å; E313-K316 IonicContact OE1-NZ 2.82Å; E313-K316 PolarHBondContact OE1-NZ 3.19Å; E313-R317 VanDerWaalsContact O-CG 3.26Å; E313-R317 WeakPolarHBondContact O-CG 3.35Å; E313-R317 PolarHBondContact O-N 3.08Å
314	R	88.8	Confident	87.5	Confident	174 Å²	174	96.4 Å²	96.4	66%	0.657	46%	0.455	S	S	*	.	H	α-helix	trans	-63.6	-45.4	173.8	-165.5	-175.8	80.2	161.9	4.3	110.8	R310 E311 E312 R317 T318	R310-R314 VanDerWaalsContact O-CB 3.31Å; R310-R314 WeakPolarHBondContact O-CB 3.44Å; R310-R314 PolarHBondContact O-N 3.48Å; E311-R314 WeakPolarHBondContact O-CB 3.19Å; E311-R314 PolarHBondContact O-N 2.89Å; E312-R314 VanDerWaalsContact C-N 3.32Å; E312-R314 PolarHBondContact O-N 3.1Å; R314-R317 WeakPolarHBondContact O-CB 3.42Å; R314-R317 PolarHBondContact O-N 3.4Å; R314-T318 PolarHBondContact O-N 2.92Å; R314-T318 PolarHBondContact O-OG1 3.17Å
315	L	86.3	Confident	87	Confident	103 Å²	103	101 Å²	101	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-58.3	-47.8	175.5	-103.6	104.2	0	0	0	111.4	E311 E312 R317 T318 M319	E311-L315 WeakPolarHBondContact O-CD1 3.42Å; E311-L315 PolarHBondContact O-N 2.81Å; E312-L315 WeakPolarHBondContact O-CB 3.49Å; E312-L315 PolarHBondContact O-N 2.81Å; L315-R317 VanDerWaalsContact C-N 3.27Å; L315-R317 PolarHBondContact O-N 3.27Å; L315-T318 WeakPolarHBondContact O-CB 3.5Å; L315-T318 PolarHBondContact O-N 3.03Å; L315-T318 VanDerWaalsContact O-N 3.12Å; L315-M319 WeakPolarHBondContact O-CG 3.26Å; L315-M319 PolarHBondContact O-N 3.25Å
316	K	82.8	Confident	86.5	Confident	120 Å²	120	99.5 Å²	99.5	52%	0.522	47%	0.465	S	S	.	.	H	α-helix	trans	-58.2	-39.8	176.9	-69.2	174.5	-165.9	168.8	0	112.1	E312 E313 M319 L320	E312-K316 WeakPolarHBondContact O-CG 3.15Å; E312-K316 PolarHBondContact O-N 2.89Å; E313-K316 PolarHBondContact O-N 3.38Å; E313-K316 WeakPolarHBondContact OE1-CD 3.13Å; E313-K316 IonicContact OE1-NZ 2.82Å; E313-K316 PolarHBondContact OE1-NZ 3.19Å; K316-M319 PolarHBondContact O-N 2.81Å; K316-L320 WeakPolarHBondContact O-CB 3.47Å; K316-L320 PolarHBondContact O-N 3.3Å
317	R	83.1	Confident	85.9	Confident	178 Å²	178	99.6 Å²	99.6	67%	0.672	47%	0.465	S	S	*	.	H	α-helix	trans	-67	-39.9	175.5	-70.9	171.6	-172.2	-161.4	1.2	112.3	E313 R314 L315 L320 S321	E313-R317 VanDerWaalsContact O-CG 3.26Å; E313-R317 WeakPolarHBondContact O-CG 3.35Å; E313-R317 PolarHBondContact O-N 3.08Å; R314-R317 WeakPolarHBondContact O-CB 3.42Å; R314-R317 PolarHBondContact O-N 3.4Å; L315-R317 VanDerWaalsContact C-N 3.27Å; L315-R317 PolarHBondContact O-N 3.27Å; R317-L320 PolarHBondContact O-N 2.97Å; R317-S321 PolarHBondContact O-N 3.11Å
318	T	82.9	Confident	85.2	Confident	67 Å²	67	106.5 Å²	106.5	41%	0.411	50%	0.498	S	S	.	.	H	α-helix	trans	-62.9	-47.1	174.5	-52.2	0	0	0	0	110.7	R314 L315 L320 S321 E322	R314-T318 PolarHBondContact O-N 2.92Å; R314-T318 PolarHBondContact O-OG1 3.17Å; L315-T318 WeakPolarHBondContact O-CB 3.5Å; L315-T318 PolarHBondContact O-N 3.03Å; L315-T318 VanDerWaalsContact O-N 3.12Å; T318-L320 VanDerWaalsContact C-N 3.34Å; T318-L320 PolarHBondContact O-N 3.48Å; T318-S321 WeakPolarHBondContact O-CB 3.42Å; T318-S321 PolarHBondContact O-N 3.48Å; T318-S321 VanDerWaalsContact O-N 3.11Å; T318-E322 WeakPolarHBondContact O-CG 3.26Å; T318-E322 PolarHBondContact O-N 3.05Å
319	M	82.1	Confident	84.8	Confident	51 Å²	51	104.8 Å²	104.8	25%	0.251	50%	0.495	S	S	.	.	H	α-helix	trans	-56	-46.8	174.1	-72.2	-65.4	-163	0	0	111.9	L315 K316 S321 E322 V323 W336 Q340	L315-M319 WeakPolarHBondContact O-CG 3.26Å; L315-M319 PolarHBondContact O-N 3.25Å; K316-M319 PolarHBondContact O-N 2.81Å; M319-S321 VanDerWaalsContact C-N 3.34Å; M319-S321 PolarHBondContact O-N 3.45Å; M319-E322 PolarHBondContact O-N 2.95Å; M319-V323 WeakPolarHBondContact O-CG2 3.48Å; M319-V323 PolarHBondContact O-N 3.29Å; M319-W336 HydrophobicContact CB-CH2 4.01Å; M319-W336 HydrophobicContact CG-CH2 4.41Å; M319-W336 HydrophobicContact SD-CH2 3.63Å; M319-W336 HydrophobicContact SD-CZ2 3.65Å; M319-Q340 HydrophobicContact CE-CG 4.27Å; M319-Q340 HydrophobicContact SD-CG 4.32Å
320	L	81.4	Confident	84.4	Confident	112 Å²	112	106.2 Å²	106.2	59%	0.586	51%	0.507	S	S	*	.	H	α-helix	trans	-59	-46.6	175.6	-168.1	83	0	0	0	110.9	K316 R317 T318 E322 V323 L324	K316-L320 WeakPolarHBondContact O-CB 3.47Å; K316-L320 PolarHBondContact O-N 3.3Å; R317-L320 PolarHBondContact O-N 2.97Å; T318-L320 VanDerWaalsContact C-N 3.34Å; T318-L320 PolarHBondContact O-N 3.48Å; L320-E322 VanDerWaalsContact C-N 3.29Å; L320-E322 PolarHBondContact O-N 3.33Å; L320-V323 PolarHBondContact O-N 3.39Å; L320-L324 VanDerWaalsContact O-CG 3.23Å; L320-L324 WeakPolarHBondContact O-CG 3.43Å; L320-L324 PolarHBondContact O-N 2.99Å
321	S	83.6	Confident	84	Confident	78 Å²	78	101.1 Å²	101.1	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-60.2	-37.9	177.3	-171.1	0	0	0	0	112.7	R317 T318 M319 Q325	R317-S321 PolarHBondContact O-N 3.11Å; T318-S321 WeakPolarHBondContact O-CB 3.42Å; T318-S321 PolarHBondContact O-N 3.48Å; T318-S321 VanDerWaalsContact O-N 3.11Å; M319-S321 VanDerWaalsContact C-N 3.34Å; M319-S321 PolarHBondContact O-N 3.45Å; S321-Q325 PolarHBondContact O-N 2.88Å
322	E	82.2	Confident	83.6	Confident	83 Å²	83	97.9 Å²	97.9	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-68	-43.8	175.9	-71.8	179.6	-166.2	0	0	111.5	T318 M319 L320 L324 Q325 Y326 W336	T318-E322 WeakPolarHBondContact O-CG 3.26Å; T318-E322 PolarHBondContact O-N 3.05Å; M319-E322 PolarHBondContact O-N 2.95Å; L320-E322 VanDerWaalsContact C-N 3.29Å; L320-E322 PolarHBondContact O-N 3.33Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 3.28Å; E322-Q325 VanDerWaalsContact O-CB 3.29Å; E322-Q325 WeakPolarHBondContact O-CB 3.22Å; E322-Q325 PolarHBondContact O-N 2.83Å; E322-Q325 VanDerWaalsContact O-N 3.15Å; E322-Y326 WeakPolarHBondContact O-CD2 3.44Å; E322-Y326 VanDerWaalsContact O-CE2 3.31Å; E322-Y326 WeakPolarHBondContact O-CE2 3.16Å; E322-W336 HydrophobicContact CB-CZ2 3.98Å
323	V	83.4	Confident	83.3	Confident	21 Å²	21	94.7 Å²	94.7	13%	0.127	47%	0.474	C	S	.	.	H	α-helix	trans	-58.5	-44.5	174.5	175.3	0	0	0	0	111.6	M319 L320 Q325 Y326 I327 W336 L337	M319-V323 WeakPolarHBondContact O-CG2 3.48Å; M319-V323 PolarHBondContact O-N 3.29Å; L320-V323 PolarHBondContact O-N 3.39Å; V323-Q325 PolarHBondContact O-N 3.25Å; V323-Q325 VanDerWaalsContact O-N 3.15Å; V323-Y326 PolarHBondContact O-N 2.83Å; V323-I327 PolarHBondContact O-N 2.85Å; V323-W336 HydrophobicContact CB-CE3 4.5Å; V323-W336 HydrophobicContact CB-CZ3 4.44Å; V323-W336 HydrophobicContact CG2-CD2 3.94Å; V323-W336 HydrophobicContact CG2-CE3 3.25Å; V323-W336 HydrophobicContact CG2-CH2 3.37Å; V323-W336 HydrophobicContact CG2-CZ2 3.99Å; V323-W336 HydrophobicContact CG2-CZ3 2.97Å; V323-L337 HydrophobicContact CG2-CD2 4.19Å
324	L	83.8	Confident	83.1	Confident	97 Å²	97	96.4 Å²	96.4	51%	0.508	48%	0.482	S	S	.	.	H	α-helix	trans	-59.5	-26.7	-179.3	-70.3	176.8	0	0	0	111.9	L320 E322 Y326 I327	L320-L324 VanDerWaalsContact O-CG 3.23Å; L320-L324 WeakPolarHBondContact O-CG 3.43Å; L320-L324 PolarHBondContact O-N 2.99Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 3.28Å; L324-Y326 VanDerWaalsContact C-N 3.27Å; L324-Y326 PolarHBondContact O-N 3.41Å; L324-I327 HydrophobicContact CD2-CD1 3.51Å; L324-I327 PolarHBondContact O-N 2.8Å
325	Q	81.4	Confident	82.9	Confident	151 Å²	151	94.2 Å²	94.2	71%	0.706	48%	0.479	S	S	*	.	H	α-helix	trans	-68.5	-25.8	175.8	-163.7	171.8	11.1	0	0	113	S321 E322 V323	S321-Q325 PolarHBondContact O-N 2.88Å; E322-Q325 VanDerWaalsContact O-CB 3.29Å; E322-Q325 WeakPolarHBondContact O-CB 3.22Å; E322-Q325 PolarHBondContact O-N 2.83Å; E322-Q325 VanDerWaalsContact O-N 3.15Å; V323-Q325 PolarHBondContact O-N 3.25Å; V323-Q325 VanDerWaalsContact O-N 3.15Å
326	Y	82.4	Confident	82.9	Confident	94 Å²	94	91.3 Å²	91.3	37%	0.369	46%	0.461	S	S	.	.	H	α-helix	trans	-100.6	0.4	179.8	-55.5	-74.2	0	0	0	113.2	E322 V323 L324 Q328 D329 A332 W336	E322-Y326 WeakPolarHBondContact O-CD2 3.44Å; E322-Y326 VanDerWaalsContact O-CE2 3.31Å; E322-Y326 WeakPolarHBondContact O-CE2 3.16Å; V323-Y326 PolarHBondContact O-N 2.83Å; L324-Y326 VanDerWaalsContact C-N 3.27Å; L324-Y326 PolarHBondContact O-N 3.41Å; Y326-Q328 PolarHBondContact O-N 2.71Å; Y326-Q328 VanDerWaalsContact O-N 3.12Å; Y326-D329 CarbonylContact O-C 3.57Å; Y326-D329 PolarHBondContact O-N 3.29Å; Y326-A332 HydrophobicContact CD1-CB 4.13Å; Y326-W336 AromaticContact CD2-CD1 3.97Å; Y326-W336 HydrophobicContact CD2-CG 4.28Å; Y326-W336 AromaticContact CE2-CD1 3.68Å; Y326-W336 HydrophobicContact CE2-CG 4.41Å
327	I	80.8	Confident	83	Confident	101 Å²	101	89.8 Å²	89.8	52%	0.518	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.9	-171.1	-116.4	-179.9	0	0	0	113.9	V323 L324 D329	V323-I327 PolarHBondContact O-N 2.85Å; L324-I327 HydrophobicContact CD2-CD1 3.51Å; L324-I327 PolarHBondContact O-N 2.8Å; I327-D329 VanDerWaalsContact C-N 3.33Å
328	Q	80	Confident	83	Confident	197 Å²	197	89.6 Å²	89.6	92%	0.921	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-23.6	179.4	-63.7	-178.1	5.1	0	0	112.6	Y326	Y326-Q328 PolarHBondContact O-N 2.71Å; Y326-Q328 VanDerWaalsContact O-N 3.12Å
329	D	83.5	Confident	82.9	Confident	89 Å²	89	94.4 Å²	94.4	48%	0.476	47%	0.468	S	S	.	.			trans	-109.6	101.9	175	-178.8	-7.2	0	0	0	109.9	Y326 I327 S331 A332 C333	Y326-D329 CarbonylContact O-C 3.57Å; Y326-D329 PolarHBondContact O-N 3.29Å; I327-D329 VanDerWaalsContact C-N 3.33Å; D329-S331 PolarHBondContact O-N 3.21Å; D329-S331 VanDerWaalsContact O-N 3.17Å; D329-S331 WeakPolarHBondContact OD1-CB 3.03Å; D329-S331 PolarHBondContact OD1-N 3.38Å; D329-A332 HydrophobicContact CB-CB 3.96Å; D329-A332 PolarHBondContact O-N 3.06Å; D329-A332 PolarHBondContact OD1-N 3.15Å; D329-C333 WeakPolarHBondContact O-CB 3.46Å; D329-C333 PolarHBondContact O-N 2.98Å
330	S	83.3	Confident	82.9	Confident	85 Å²	85	93.4 Å²	93.4	59%	0.594	46%	0.463	S	S	*	.	H	α-helix	trans	-55.5	-33.3	-179.3	-172.2	0	0	0	0	113.1	Q334	S330-Q334 WeakPolarHBondContact O-CB 3.29Å; S330-Q334 WeakPolarHBondContact O-CG 3.35Å; S330-Q334 PolarHBondContact O-N 3.15Å
331	S	84.2	Confident	82.8	Confident	65 Å²	65	90.3 Å²	90.3	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-74.8	-45.1	179.8	-168.4	0	0	0	0	111.9	D329 Q334 Q335	D329-S331 PolarHBondContact O-N 3.21Å; D329-S331 VanDerWaalsContact O-N 3.17Å; D329-S331 WeakPolarHBondContact OD1-CB 3.03Å; D329-S331 PolarHBondContact OD1-N 3.38Å; S331-Q334 PolarHBondContact O-N 2.88Å; S331-Q335 WeakPolarHBondContact O-CG 3.46Å; S331-Q335 PolarHBondContact O-N 2.87Å; S331-Q335 PolarHBondContact OG-NE2 2.92Å
332	A	81.4	Confident	82.6	Confident	27 Å²	27	90.5 Å²	90.5	22%	0.223	45%	0.449	C	S	.	.	H	α-helix	trans	-65	-41	178.1	0	0	0	0	0	111.8	Y326 D329 Q335 W336	Y326-A332 HydrophobicContact CD1-CB 4.13Å; D329-A332 HydrophobicContact CB-CB 3.96Å; D329-A332 PolarHBondContact O-N 3.06Å; D329-A332 PolarHBondContact OD1-N 3.15Å; A332-Q335 PolarHBondContact O-N 3.29Å; A332-W336 PolarHBondContact O-N 2.96Å
333	C	84.3	Confident	82.3	Confident	21 Å²	21	90 Å²	90	14%	0.142	45%	0.448	C	S	.	.	H	α-helix	trans	-61.8	-46.2	176	-173.4	0	0	0	0	112	D329 Q335 W336 L337	D329-C333 WeakPolarHBondContact O-CB 3.46Å; D329-C333 PolarHBondContact O-N 2.98Å; C333-Q335 PolarHBondContact O-N 3.21Å; C333-W336 PolarHBondContact O-N 3.02Å; C333-L337 WeakPolarHBondContact O-CG 3.2Å; C333-L337 PolarHBondContact O-N 2.89Å
334	Q	84	Confident	81.9	Confident	110 Å²	110	94.7 Å²	94.7	51%	0.514	47%	0.472	S	S	.	.	H	α-helix	trans	-63.6	-37.8	176.4	-79	-169.5	1.7	0	0	113.1	S330 S331 R338	S330-Q334 WeakPolarHBondContact O-CB 3.29Å; S330-Q334 WeakPolarHBondContact O-CG 3.35Å; S330-Q334 PolarHBondContact O-N 3.15Å; S331-Q334 PolarHBondContact O-N 2.88Å; Q334-R338 WeakPolarHBondContact O-CG 3.36Å; Q334-R338 PolarHBondContact O-N 2.88Å; Q334-R338 VanDerWaalsContact O-N 3.08Å
335	Q	84.4	Confident	81.6	Confident	128 Å²	128	94.3 Å²	94.3	60%	0.598	48%	0.478	S	S	*	.	H	α-helix	trans	-67.9	-41.7	177.2	-74	176.4	32	0	0	112.2	S331 A332 C333 R338 R339	S331-Q335 WeakPolarHBondContact O-CG 3.46Å; S331-Q335 PolarHBondContact O-N 2.87Å; S331-Q335 PolarHBondContact OG-NE2 2.92Å; A332-Q335 PolarHBondContact O-N 3.29Å; C333-Q335 PolarHBondContact O-N 3.21Å; Q335-R338 PolarHBondContact O-N 2.86Å; Q335-R339 WeakPolarHBondContact O-CB 3.38Å; Q335-R339 PolarHBondContact O-N 3.26Å
336	W	86.6	Confident	80.3	Confident	43 Å²	43	90.5 Å²	90.5	16%	0.163	48%	0.478	C	S	.	.	H	α-helix	trans	-61.6	-47.3	175.7	-172.6	103.5	0	0	0	110.9	M319 E322 V323 Y326 A332 C333 R338 R339 Q340	M319-W336 HydrophobicContact CB-CH2 4.01Å; M319-W336 HydrophobicContact CG-CH2 4.41Å; M319-W336 HydrophobicContact SD-CH2 3.63Å; M319-W336 HydrophobicContact SD-CZ2 3.65Å; E322-W336 HydrophobicContact CB-CZ2 3.98Å; V323-W336 HydrophobicContact CB-CE3 4.5Å; V323-W336 HydrophobicContact CB-CZ3 4.44Å; V323-W336 HydrophobicContact CG2-CD2 3.94Å; V323-W336 HydrophobicContact CG2-CE3 3.25Å; V323-W336 HydrophobicContact CG2-CH2 3.37Å; V323-W336 HydrophobicContact CG2-CZ2 3.99Å; V323-W336 HydrophobicContact CG2-CZ3 2.97Å; Y326-W336 AromaticContact CD2-CD1 3.97Å; Y326-W336 HydrophobicContact CD2-CG 4.28Å; Y326-W336 AromaticContact CE2-CD1 3.68Å; Y326-W336 HydrophobicContact CE2-CG 4.41Å; A332-W336 PolarHBondContact O-N 2.96Å; C333-W336 PolarHBondContact O-N 3.02Å; W336-R338 PolarHBondContact O-N 3.46Å; W336-R339 PolarHBondContact O-N 3.31Å; W336-Q340 HydrophobicContact CE3-CB 4.14Å; W336-Q340 HydrophobicContact CH2-CB 4.11Å; W336-Q340 HydrophobicContact CH2-CG 3.92Å; W336-Q340 HydrophobicContact CZ3-CB 3.75Å; W336-Q340 HydrophobicContact CZ3-CG 3.96Å; W336-Q340 PolarHBondContact O-N 3.11Å
337	L	84.7	Confident	79	Confident	87 Å²	87	91.3 Å²	91.3	46%	0.455	49%	0.489	S	S	.	.	H	α-helix	trans	-62.6	-40.1	-179.5	-74.4	168.5	0	0	0	112.4	V323 C333 Q340 A341	V323-L337 HydrophobicContact CG2-CD2 4.19Å; C333-L337 WeakPolarHBondContact O-CG 3.2Å; C333-L337 PolarHBondContact O-N 2.89Å; L337-Q340 PolarHBondContact O-N 2.99Å; L337-A341 WeakPolarHBondContact O-CB 3.23Å; L337-A341 PolarHBondContact O-N 3.29Å
338	R	82.9	Confident	77.1	Confident	174 Å²	174	91 Å²	91	66%	0.657	50%	0.496	S	S	*	.	H	α-helix	trans	-63.3	-47.4	174.4	-75.3	179.4	-176.2	-153.5	2.3	111.8	Q334 Q335 W336 Q340 A341 D342	Q334-R338 WeakPolarHBondContact O-CG 3.36Å; Q334-R338 PolarHBondContact O-N 2.88Å; Q334-R338 VanDerWaalsContact O-N 3.08Å; Q335-R338 PolarHBondContact O-N 2.86Å; W336-R338 PolarHBondContact O-N 3.46Å; R338-Q340 VanDerWaalsContact C-N 3.26Å; R338-Q340 PolarHBondContact O-N 3.19Å; R338-A341 PolarHBondContact O-N 2.98Å; R338-D342 VanDerWaalsContact O-CG 3.28Å; R338-D342 PolarHBondContact O-N 3.47Å
339	R	80.6	Confident	75.3	Confident	169 Å²	169	84.2 Å²	84.2	64%	0.638	47%	0.469	S	S	*	.	H	α-helix	trans	-59.6	-39.1	178	-173.8	179.2	-175.5	-177.8	0.1	111.9	Q335 W336 I343	Q335-R339 WeakPolarHBondContact O-CB 3.38Å; Q335-R339 PolarHBondContact O-N 3.26Å; W336-R339 PolarHBondContact O-N 3.31Å; R339-I343 HydrophobicContact CG-CD1 4.27Å; R339-I343 WeakPolarHBondContact O-CD1 3.32Å; R339-I343 VanDerWaalsContact O-CG1 3.28Å; R339-I343 WeakPolarHBondContact O-CG1 3.49Å; R339-I343 PolarHBondContact O-N 3.17Å
340	Q	81.6	Confident	73	Confident	29 Å²	29	84.5 Å²	84.5	14%	0.136	48%	0.478	C	S	.	.	H	α-helix	trans	-70.2	-41.2	178	-167.7	54.2	45.7	0	0	112	M319 W336 L337 R338 D342 I343 D344	M319-Q340 HydrophobicContact CE-CG 4.27Å; M319-Q340 HydrophobicContact SD-CG 4.32Å; W336-Q340 HydrophobicContact CE3-CB 4.14Å; W336-Q340 HydrophobicContact CH2-CB 4.11Å; W336-Q340 HydrophobicContact CH2-CG 3.92Å; W336-Q340 HydrophobicContact CZ3-CB 3.75Å; W336-Q340 HydrophobicContact CZ3-CG 3.96Å; W336-Q340 PolarHBondContact O-N 3.11Å; L337-Q340 PolarHBondContact O-N 2.99Å; R338-Q340 VanDerWaalsContact C-N 3.26Å; R338-Q340 PolarHBondContact O-N 3.19Å; Q340-D342 VanDerWaalsContact C-N 3.3Å; Q340-D342 PolarHBondContact O-N 3.44Å; Q340-I343 PolarHBondContact O-N 2.76Å; Q340-D344 PolarHBondContact NE2-OD1 2.77Å; Q340-D344 VanDerWaalsContact O-CG 3.31Å; Q340-D344 PolarHBondContact O-N 2.93Å
341	A	80.7	Confident	70.8	Confident	48 Å²	48	87.4 Å²	87.4	40%	0.397	49%	0.485	S	S	.	.	H	α-helix	trans	-62.9	-35.5	175.1	0	0	0	0	0	112.9	L337 R338 S345	L337-A341 WeakPolarHBondContact O-CB 3.23Å; L337-A341 PolarHBondContact O-N 3.29Å; R338-A341 PolarHBondContact O-N 2.98Å; A341-S345 WeakPolarHBondContact O-CB 3.47Å; A341-S345 PolarHBondContact O-N 3.2Å; A341-S345 VanDerWaalsContact O-N 3.13Å; A341-S345 PolarHBondContact O-OG 3.43Å
342	D	77.7	Confident	68.3	Low	82 Å²	82	88.9 Å²	88.9	44%	0.439	49%	0.493	S	S	.	.	H	α-helix	trans	-63.4	-49.6	173.6	-67.2	-26.9	0	0	0	110.5	R338 Q340 D344 S345 L347	R338-D342 VanDerWaalsContact O-CG 3.28Å; R338-D342 PolarHBondContact O-N 3.47Å; Q340-D342 VanDerWaalsContact C-N 3.3Å; Q340-D342 PolarHBondContact O-N 3.44Å; D342-D344 VanDerWaalsContact C-N 3.35Å; D342-D344 PolarHBondContact O-N 3.38Å; D342-S345 PolarHBondContact O-N 3.35Å; D342-L347 CarbonylContact C-O 3.49Å; D342-L347 CarbonylContact O-C 3.47Å; D342-L347 WeakPolarHBondContact O-CB 3.22Å; D342-L347 PolarHBondContact O-N 2.93Å
343	I	75.8	Confident	66.1	Low	72 Å²	72	96.5 Å²	96.5	37%	0.369	53%	0.526	S	S	.	.	H	α-helix	trans	-57.7	-45.9	177.9	-68.3	163.6	0	0	0	111.4	R339 Q340 S345 G346 P349	R339-I343 HydrophobicContact CG-CD1 4.27Å; R339-I343 WeakPolarHBondContact O-CD1 3.32Å; R339-I343 VanDerWaalsContact O-CG1 3.28Å; R339-I343 WeakPolarHBondContact O-CG1 3.49Å; R339-I343 PolarHBondContact O-N 3.17Å; Q340-I343 PolarHBondContact O-N 2.76Å; I343-S345 VanDerWaalsContact C-N 3.26Å; I343-S345 PolarHBondContact O-N 3.48Å; I343-G346 PolarHBondContact O-N 2.64Å; I343-P349 HydrophobicContact CG1-CG 3.97Å
344	D	76.6	Confident	63.5	Low	120 Å²	120	99 Å²	99	64%	0.642	55%	0.549	S	S	*	.	H	α-helix	trans	-68.8	-25.1	-178	-69.2	-9.6	0	0	0	112.6	Q340 D342 G346	Q340-D344 PolarHBondContact NE2-OD1 2.77Å; Q340-D344 VanDerWaalsContact O-CG 3.31Å; Q340-D344 PolarHBondContact O-N 2.93Å; D342-D344 VanDerWaalsContact C-N 3.35Å; D342-D344 PolarHBondContact O-N 3.38Å; D344-G346 PolarHBondContact O-N 3.39Å
345	S	76.9	Confident	61.2	Low	89 Å²	89	98.8 Å²	98.8	62%	0.622	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	6.3	177.2	-58.4	0	0	0	0	113.4	A341 D342 I343 L347	A341-S345 WeakPolarHBondContact O-CB 3.47Å; A341-S345 PolarHBondContact O-N 3.2Å; A341-S345 VanDerWaalsContact O-N 3.13Å; A341-S345 PolarHBondContact O-OG 3.43Å; D342-S345 PolarHBondContact O-N 3.35Å; I343-S345 VanDerWaalsContact C-N 3.26Å; I343-S345 PolarHBondContact O-N 3.48Å; S345-L347 PolarHBondContact O-N 3.46Å; S345-L347 VanDerWaalsContact O-N 3.1Å
346	G	54.3	Low	58.6	Low	70 Å²	70	100 Å²	100	72%	0.722	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.1	1.7	-176.2	0	0	0	0	0	113.5	I343 D344 S348	I343-G346 PolarHBondContact O-N 2.64Å; D344-G346 PolarHBondContact O-N 3.39Å; G346-S348 PolarHBondContact O-N 3.44Å
347	L	53.8	Low	56.2	Low	111 Å²	111	103.3 Å²	103.3	58%	0.581	60%	0.599	S	S	*	*			trans	-73.1	90.4	160.9	-66.2	163.2	0	0	0	105	D342 S345 P349	D342-L347 CarbonylContact C-O 3.49Å; D342-L347 CarbonylContact O-C 3.47Å; D342-L347 WeakPolarHBondContact O-CB 3.22Å; D342-L347 PolarHBondContact O-N 2.93Å; S345-L347 PolarHBondContact O-N 3.46Å; S345-L347 VanDerWaalsContact O-N 3.1Å; L347-P349 WeakPolarHBondContact O-CD 3.47Å; L347-P349 VanDerWaalsContact O-N 3.09Å
348	S	41	Very low	53.8	Low	95 Å²	95	102.2 Å²	102.2	66%	0.664	61%	0.609	S	S	*	*			trans	-47.3	128.5	158.5	-170.2	0	0	0	0	105.3	G346 S350	G346-S348 PolarHBondContact O-N 3.44Å; S348-S350 PolarHBondContact O-N 3.12Å
349	P	42.2	Very low	51.6	Low	55 Å²	55	105.3 Å²	105.3	36%	0.357	62%	0.621	S	S	.	*			trans	-62	90.6	161.7	26.6	-29.1	0	0	0	103.4	I343 L347 I351	I343-P349 HydrophobicContact CG1-CG 3.97Å; L347-P349 WeakPolarHBondContact O-CD 3.47Å; L347-P349 VanDerWaalsContact O-N 3.09Å; P349-I351 PolarHBondContact O-N 3.22Å
350	S	36.1	Very low	49.9	Very low	95 Å²	95	108.8 Å²	108.8	66%	0.664	63%	0.634	S	S	*	*			trans	-42.2	111.4	140.3	48.2	0	0	0	0	101.6	S348 P352	S348-S350 PolarHBondContact O-N 3.12Å; S350-P352 VanDerWaalsContact C-N 3.29Å; S350-P352 WeakPolarHBondContact O-CD 3.44Å; S350-P352 WeakPolarHBondContact O-CG 3.43Å
351	I	36.2	Very low	48.3	Very low	146 Å²	146	112.5 Å²	112.5	75%	0.749	66%	0.663	S	S	*	*			trans	-42.4	109.6	171.3	-66.6	167.9	0	0	0	103.2	P349 M353	P349-I351 PolarHBondContact O-N 3.22Å; I351-M353 HydrophobicContact CG2-CG 4.44Å; I351-M353 PolarHBondContact O-N 2.94Å
352	P	33.1	Very low	46.9	Very low	96 Å²	96	112.5 Å²	112.5	62%	0.623	66%	0.663	S	S	*	*			trans	-71	101.8	171.9	-9.6	27.4	0	0	0	100	S350 A354	S350-P352 VanDerWaalsContact C-N 3.29Å; S350-P352 WeakPolarHBondContact O-CD 3.44Å; S350-P352 WeakPolarHBondContact O-CG 3.43Å; P352-A354 HydrophobicContact CB-CB 3.76Å; P352-A354 PolarHBondContact O-N 3.28Å
353	M	34.5	Very low	46.2	Very low	187 Å²	187	113.6 Å²	113.6	92%	0.921	68%	0.675	S	S	*	*			trans	-62.7	69.6	146.4	-72.3	-156.4	78.2	0	0	105.8	I351	I351-M353 HydrophobicContact CG2-CG 4.44Å; I351-M353 PolarHBondContact O-N 2.94Å
354	A	30.3	Very low	45.9	Very low	74 Å²	74	114.4 Å²	114.4	61%	0.612	68%	0.684	S	S	*	*			trans	-112.8	93.2	172.8	0	0	0	0	0	105.6	P352 N356	P352-A354 HydrophobicContact CB-CB 3.76Å; P352-A354 PolarHBondContact O-N 3.28Å; A354-N356 PolarHBondContact O-N 2.98Å
355	S	35	Very low	45.9	Very low	104 Å²	104	110.8 Å²	110.8	73%	0.727	67%	0.665	S	S	*	*			trans	-28.7	119.7	148.5	51.2	0	0	0	0	113.5
356	N	30.7	Very low	45.9	Very low	154 Å²	154	112.1 Å²	112.1	82%	0.824	67%	0.665	S	S	*	*			trans	144.7	128.6	133.2	-77.4	-6.1	0	0	0	108.8	A354	A354-N356 PolarHBondContact O-N 2.98Å
357	S	36.1	Very low	46.8	Very low	113 Å²	113	109.5 Å²	109.5	79%	0.79	63%	0.634	S	S	*	*	S	Bend	cis	-167.4	86.9	1.1	52.8	0	0	0	0	107.6
358	G	33.2	Very low	47.7	Very low	64 Å²	64	110.1 Å²	110.1	66%	0.66	64%	0.643	S	S	*	*	S	Bend	trans	-117.2	118.4	133.4	0	0	0	0	0	103.6	R360	G358-R360 PolarHBondContact O-N 3.42Å
359	R	37.3	Very low	48.9	Very low	239 Å²	239	109.2 Å²	109.2	90%	0.902	65%	0.649	S	S	*	*			trans	-59.3	88	172.6	-85.9	-178.8	177.8	172.2	-0.6	107.4	S361	R359-S361 PolarHBondContact O-N 3.19Å
360	R	45.8	Very low	50.4	Low	241 Å²	241	109.1 Å²	109.1	91%	0.909	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-65.1	120.2	163.1	-68.6	-170.5	-173.9	-168.8	2.6	104.8	G358 A362	G358-R360 PolarHBondContact O-N 3.42Å; R360-A362 PolarHBondContact O-N 3.44Å
361	S	46.8	Very low	52	Low	107 Å²	107	109.2 Å²	109.2	75%	0.748	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-57.8	133	-179.6	71.7	0	0	0	0	108	R359	R359-S361 PolarHBondContact O-N 3.19Å
362	A	51.6	Low	53.5	Low	48 Å²	48	102.7 Å²	102.7	40%	0.397	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-50.2	142.3	173.2	0	0	0	0	0	109.6	R360	R360-A362 PolarHBondContact O-N 3.44Å
363	P	63.8	Low	55.6	Low	106 Å²	106	99.5 Å²	99.5	69%	0.688	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-49.2	142.6	179.9	-26.2	32.7	0	0	0	111.1	L365	P363-L365 PolarHBondContact O-N 3.27Å
364	P	69.6	Low	57.7	Low	88 Å²	88	96.7 Å²	96.7	57%	0.571	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-55.6	137.1	-178.1	-17.3	27	0	0	0	110.7	N366 Q385	P364-N366 PolarHBondContact O-N 3.45Å; P364-Q385 WeakPolarHBondContact CA-O 3.31Å; P364-Q385 HydrophobicContact CB-CB 3.98Å
365	L	76	Confident	60.1	Low	44 Å²	44	100.1 Å²	100.1	23%	0.23	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-63.1	122.6	179.4	-177.9	71.4	0	0	0	110	P363 L367 L370 Q385 R388 L389	P363-L365 PolarHBondContact O-N 3.27Å; L365-L367 HydrophobicContact CD2-CD2 4.14Å; L365-L367 HydrophobicContact CG-CD2 4.41Å; L365-L367 PolarHBondContact O-N 2.81Å; L365-L370 HydrophobicContact CD2-CD1 4.48Å; L365-Q385 PolarHBondContact N-O 3Å; L365-Q385 WeakPolarHBondContact O-CG 3.21Å; L365-R388 HydrophobicContact CB-CB 4.38Å; L365-R388 HydrophobicContact CB-CG 4.27Å; L365-L389 WeakPolarHBondContact CD2-O 3.15Å
366	N	77.1	Confident	62.4	Low	117 Å²	117	95.5 Å²	95.5	63%	0.626	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-68.5	119.8	175.2	-162.2	-60	0	0	0	109.5	P364 T368	P364-N366 PolarHBondContact O-N 3.45Å; N366-T368 VanDerWaalsContact OD1-CB 3.24Å; N366-T368 WeakPolarHBondContact OD1-CB 3.23Å; N366-T368 PolarHBondContact OD1-N 3.44Å; N366-T368 PolarHBondContact OD1-OG1 3.45Å
367	L	73.4	Confident	65	Low	15 Å²	15	93 Å²	93	8%	0.079	53%	0.53	C	S	.	.			trans	-88.8	-1.5	-176.1	-62.8	-175.5	0	0	0	113.2	L365 G369 T373 K381 C384 Q385 P391	L365-L367 HydrophobicContact CD2-CD2 4.14Å; L365-L367 HydrophobicContact CG-CD2 4.41Å; L365-L367 PolarHBondContact O-N 2.81Å; L367-G369 PolarHBondContact O-N 3.29Å; L367-T373 HydrophobicContact CB-CG2 4.19Å; L367-T373 WeakPolarHBondContact O-CG2 3.2Å; L367-K381 HydrophobicContact CD1-CB 3.73Å; L367-K381 HydrophobicContact CD1-CG 3.99Å; L367-C384 HydrophobicContact CD1-CB 4.36Å; L367-C384 HydrophobicContact CD2-CB 4.21Å; L367-Q385 HydrophobicContact CD1-CG 3.71Å; L367-Q385 HydrophobicContact CD2-CG 4.41Å; L367-Q385 HydrophobicContact CG-CG 3.72Å; L367-P391 HydrophobicContact CD2-CG 3.82Å
368	T	71	Confident	67.1	Low	124 Å²	124	94.4 Å²	94.4	76%	0.761	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	120.9	-173.6	-40.7	0	0	0	0	110.6	N366	N366-T368 VanDerWaalsContact OD1-CB 3.24Å; N366-T368 WeakPolarHBondContact OD1-CB 3.23Å; N366-T368 PolarHBondContact OD1-N 3.44Å; N366-T368 PolarHBondContact OD1-OG1 3.45Å
369	G	66.4	Low	69.6	Low	76 Å²	76	96.4 Å²	96.4	78%	0.784	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	5.5	175.6	0	0	0	0	0	116.3	L367	L367-G369 PolarHBondContact O-N 3.29Å
370	L	75.4	Confident	71.9	Confident	53 Å²	53	85.3 Å²	85.3	28%	0.277	47%	0.474	S	S	.	.			trans	-85.2	141.3	174.7	-66.4	174.7	0	0	0	111.6	L365 T373	L365-L370 HydrophobicContact CD2-CD1 4.48Å; L370-T373 HydrophobicContact CB-CG2 3.79Å; L370-T373 WeakPolarHBondContact O-CB 3.49Å; L370-T373 WeakPolarHBondContact O-CG2 3.26Å; L370-T373 PolarHBondContact O-N 3.39Å; L370-T373 PolarHBondContact O-OG1 3.44Å
371	P	68.3	Low	73.6	Confident	98 Å²	98	77.1 Å²	77.1	64%	0.636	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	136.1	179	27	-33.5	0	0	0	111.6
372	G	67.8	Low	75.4	Confident	9 Å²	9	77 Å²	77	9%	0.093	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	4.2	-179.5	0	0	0	0	0	114.6	E374 K375	G372-E374 VanDerWaalsContact C-N 3.31Å; G372-E374 WeakPolarHBondContact CA-OE1 3.3Å; G372-E374 WeakPolarHBondContact CA-OE2 3.33Å; G372-E374 PolarHBondContact N-OE1 3.11Å; G372-E374 PolarHBondContact N-OE2 3.41Å; G372-E374 VanDerWaalsContact N-OE2 3.16Å; G372-K375 PolarHBondContact O-N 3.41Å
373	T	77.6	Confident	77	Confident	29 Å²	29	75.4 Å²	75.4	18%	0.178	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-69.2	-31	176.9	47.6	0	0	0	0	112.8	L367 L370 K375 L376 K381 P391	L367-T373 HydrophobicContact CB-CG2 4.19Å; L367-T373 WeakPolarHBondContact O-CG2 3.2Å; L370-T373 HydrophobicContact CB-CG2 3.79Å; L370-T373 WeakPolarHBondContact O-CB 3.49Å; L370-T373 WeakPolarHBondContact O-CG2 3.26Å; L370-T373 PolarHBondContact O-N 3.39Å; L370-T373 PolarHBondContact O-OG1 3.44Å; T373-K375 PolarHBondContact O-N 3.46Å; T373-L376 PolarHBondContact O-N 3Å; T373-K381 WeakPolarHBondContact O-CE 3.37Å; T373-P391 HydrophobicContact CG2-CB 4.02Å; T373-P391 HydrophobicContact CG2-CG 3.56Å
374	E	78.9	Confident	78	Confident	127 Å²	127	70.4 Å²	70.4	59%	0.593	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-68.8	-19.8	177.8	68.4	-68.5	161.3	0	0	113.4	G372	G372-E374 VanDerWaalsContact C-N 3.31Å; G372-E374 WeakPolarHBondContact CA-OE1 3.3Å; G372-E374 WeakPolarHBondContact CA-OE2 3.33Å; G372-E374 PolarHBondContact N-OE1 3.11Å; G372-E374 PolarHBondContact N-OE2 3.41Å; G372-E374 VanDerWaalsContact N-OE2 3.16Å
375	K	80.3	Confident	78.7	Confident	147 Å²	147	69.4 Å²	69.4	64%	0.639	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-96.2	1.8	-179.1	-60.3	-179	-175.2	177.1	0	113.8	G372 T373 L395	G372-K375 PolarHBondContact O-N 3.41Å; T373-K375 PolarHBondContact O-N 3.46Å; K375-L395 HydrophobicContact CB-CD1 3.9Å; K375-L395 HydrophobicContact CD-CD1 4.32Å
376	L	83.1	Confident	78.9	Confident	6 Å²	6	73.5 Å²	73.5	3%	0.031	39%	0.392	C	S	.	.			trans	-100.3	139.2	179.6	-62.9	-178.5	0	0	0	111.8	T373 E380 K381 C384 P391 Y394 L395	T373-L376 PolarHBondContact O-N 3Å; L376-E380 WeakPolarHBondContact CA-OE2 3.04Å; L376-E380 HydrophobicContact CB-CB 4.13Å; L376-E380 HydrophobicContact CD2-CB 4.06Å; L376-K381 HydrophobicContact CB-CG 3.79Å; L376-K381 HydrophobicContact CD1-CG 4.37Å; L376-K381 VanDerWaalsContact O-CE 3.23Å; L376-K381 WeakPolarHBondContact O-CE 3.29Å; L376-C384 HydrophobicContact CD1-CB 4.49Å; L376-P391 HydrophobicContact CD1-CB 3.52Å; L376-P391 HydrophobicContact CD1-CG 3.71Å; L376-P391 HydrophobicContact CG-CB 4.27Å; L376-Y394 HydrophobicContact CD2-CD1 3.39Å; L376-Y394 HydrophobicContact CD2-CE1 3.75Å; L376-Y394 HydrophobicContact CD2-CG 4.49Å; L376-L395 HydrophobicContact CD2-CD1 4.49Å; L376-L395 HydrophobicContact CD2-CD2 3.72Å; L376-L395 HydrophobicContact CD2-CG 3.98Å
377	N	85.2	Confident	79.3	Confident	102 Å²	102	68.3 Å²	68.3	55%	0.545	36%	0.364	S	S	.	.			trans	-77.5	163.1	169.6	-70.5	-8.2	0	0	0	111.6	K379 E380 K381	N377-K379 VanDerWaalsContact C-N 3.28Å; N377-K379 PolarHBondContact O-N 3.06Å; N377-E380 HydrophobicContact CB-CG 4.44Å; N377-E380 PolarHBondContact N-OE2 3.04Å; N377-E380 WeakPolarHBondContact O-CA 3.25Å; N377-E380 WeakPolarHBondContact O-CB 3.41Å; N377-E380 PolarHBondContact O-N 3.12Å; N377-K381 PolarHBondContact O-N 2.88Å
378	E	81.2	Confident	79.8	Confident	143 Å²	143	74 Å²	74	67%	0.668	39%	0.385	S	S	*	.	H	α-helix	trans	-47.3	-47.9	-179.3	-131.4	80.6	-142	0	0	112.8	E380 K381 E382	E378-E380 VanDerWaalsContact C-N 3.32Å; E378-E380 PolarHBondContact O-N 3.2Å; E378-K381 WeakPolarHBondContact O-CB 3.33Å; E378-K381 PolarHBondContact O-N 3.33Å; E378-E382 WeakPolarHBondContact O-CG 3.33Å; E378-E382 PolarHBondContact O-N 3.09Å
379	K	84.3	Confident	80.4	Confident	105 Å²	105	68.8 Å²	68.8	46%	0.457	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-32.4	179.5	-61.5	-176	-179.5	-179.5	0	113.5	N377 L383 F433 E437	N377-K379 VanDerWaalsContact C-N 3.28Å; N377-K379 PolarHBondContact O-N 3.06Å; K379-L383 PolarHBondContact O-N 3.5Å; K379-L383 VanDerWaalsContact O-N 3.08Å; K379-F433 HydrophobicContact CB-CE2 4.08Å; K379-F433 HydrophobicContact CB-CZ 4Å; K379-E437 WeakPolarHBondContact CD-OE1 3.46Å; K379-E437 WeakPolarHBondContact CD-OE2 3.33Å; K379-E437 IonicContact NZ-OE1 3.68Å; K379-E437 PolarHBondContact NZ-OE1 3.43Å; K379-E437 IonicContact NZ-OE2 2.72Å; K379-E437 PolarHBondContact NZ-OE2 3.35Å
380	E	85.8	Confident	81.4	Confident	7 Å²	7	68.5 Å²	68.5	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-78.3	-33.7	178.5	-61	177.8	137	0	0	111	L376 N377 E378 L383 C384 Y394 K398 F433	L376-E380 WeakPolarHBondContact CA-OE2 3.04Å; L376-E380 HydrophobicContact CB-CB 4.13Å; L376-E380 HydrophobicContact CD2-CB 4.06Å; N377-E380 HydrophobicContact CB-CG 4.44Å; N377-E380 PolarHBondContact N-OE2 3.04Å; N377-E380 WeakPolarHBondContact O-CA 3.25Å; N377-E380 WeakPolarHBondContact O-CB 3.41Å; N377-E380 PolarHBondContact O-N 3.12Å; E378-E380 VanDerWaalsContact C-N 3.32Å; E378-E380 PolarHBondContact O-N 3.2Å; E380-L383 PolarHBondContact O-N 3.08Å; E380-C384 WeakPolarHBondContact O-CB 3.49Å; E380-C384 PolarHBondContact O-N 3.13Å; E380-C384 PolarHBondContact O-SG 2.91Å; E380-Y394 HydrophobicContact CB-CE1 4Å; E380-Y394 HydrophobicContact CG-CE1 4.05Å; E380-Y394 PolarHBondContact OE1-OH 3.23Å; E380-K398 IonicContact OE1-NZ 2.74Å; E380-K398 PolarHBondContact OE1-NZ 2.87Å; E380-F433 HydrophobicContact CG-CE1 4.04Å; E380-F433 HydrophobicContact CG-CZ 4.03Å
381	K	82.8	Confident	81.9	Confident	68 Å²	68	66 Å²	66	30%	0.296	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-48.4	169.5	-69.4	176.4	-178.2	167.5	0	110.2	L367 T373 L376 N377 E378 L383 C384 Q385	L367-K381 HydrophobicContact CD1-CB 3.73Å; L367-K381 HydrophobicContact CD1-CG 3.99Å; T373-K381 WeakPolarHBondContact O-CE 3.37Å; L376-K381 HydrophobicContact CB-CG 3.79Å; L376-K381 HydrophobicContact CD1-CG 4.37Å; L376-K381 VanDerWaalsContact O-CE 3.23Å; L376-K381 WeakPolarHBondContact O-CE 3.29Å; N377-K381 PolarHBondContact O-N 2.88Å; E378-K381 WeakPolarHBondContact O-CB 3.33Å; E378-K381 PolarHBondContact O-N 3.33Å; K381-L383 VanDerWaalsContact C-N 3.33Å; K381-L383 PolarHBondContact O-N 3.47Å; K381-C384 PolarHBondContact O-N 3.14Å; K381-Q385 WeakPolarHBondContact O-CB 3.31Å; K381-Q385 WeakPolarHBondContact O-CG 3.38Å; K381-Q385 PolarHBondContact O-N 2.63Å
382	E	84.8	Confident	82.6	Confident	106 Å²	106	62.5 Å²	62.5	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-58.4	-42.2	175.1	-73.1	177.6	-178.1	0	0	112.5	E378 Q385 M386	E378-E382 WeakPolarHBondContact O-CG 3.33Å; E378-E382 PolarHBondContact O-N 3.09Å; E382-Q385 PolarHBondContact O-N 2.84Å; E382-M386 WeakPolarHBondContact O-CB 3.17Å; E382-M386 WeakPolarHBondContact O-CG 3.4Å; E382-M386 PolarHBondContact O-N 2.69Å
383	L	85.1	Confident	83.5	Confident	14 Å²	14	63.3 Å²	63.3	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-47.5	175.3	-175.5	75.2	0	0	0	111.5	K379 E380 K381 Q385 M386 V387 Y394 F433	K379-L383 PolarHBondContact O-N 3.5Å; K379-L383 VanDerWaalsContact O-N 3.08Å; E380-L383 PolarHBondContact O-N 3.08Å; K381-L383 VanDerWaalsContact C-N 3.33Å; K381-L383 PolarHBondContact O-N 3.47Å; L383-Q385 VanDerWaalsContact C-N 3.29Å; L383-Q385 PolarHBondContact O-N 3.49Å; L383-M386 PolarHBondContact O-N 2.99Å; L383-V387 HydrophobicContact CD1-CG2 3.72Å; L383-V387 HydrophobicContact CG-CG2 4.07Å; L383-V387 VanDerWaalsContact O-CB 3.22Å; L383-V387 WeakPolarHBondContact O-CB 3.24Å; L383-V387 VanDerWaalsContact O-CG2 3.26Å; L383-V387 WeakPolarHBondContact O-CG2 3.4Å; L383-V387 PolarHBondContact O-N 3.34Å; L383-Y394 HydrophobicContact CD2-CD2 4.36Å; L383-Y394 HydrophobicContact CD2-CE2 3.61Å; L383-F433 HydrophobicContact CD1-CB 4.09Å; L383-F433 HydrophobicContact CD1-CD2 4.24Å; L383-F433 HydrophobicContact CD1-CG 4.21Å; L383-F433 HydrophobicContact CD2-CB 3.97Å; L383-F433 HydrophobicContact CD2-CD1 3.67Å; L383-F433 HydrophobicContact CD2-CD2 4.22Å; L383-F433 HydrophobicContact CD2-CE1 4.17Å; L383-F433 HydrophobicContact CD2-CG 3.69Å; L383-F433 HydrophobicContact CG-CG 4.45Å
384	C	84.1	Confident	84.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-38.1	178.5	-70.2	0	0	0	0	111.8	L367 L376 E380 K381 R388 L389	L367-C384 HydrophobicContact CD1-CB 4.36Å; L367-C384 HydrophobicContact CD2-CB 4.21Å; L376-C384 HydrophobicContact CD1-CB 4.49Å; E380-C384 WeakPolarHBondContact O-CB 3.49Å; E380-C384 PolarHBondContact O-N 3.13Å; E380-C384 PolarHBondContact O-SG 2.91Å; K381-C384 PolarHBondContact O-N 3.14Å; C384-R388 CarbonylContact O-C 3.55Å; C384-R388 WeakPolarHBondContact O-CA 3.3Å; C384-R388 PolarHBondContact O-N 2.89Å; C384-L389 WeakPolarHBondContact CB-O 3.07Å; C384-L389 PolarHBondContact O-N 3.38Å
385	Q	83.9	Confident	84.5	Confident	68 Å²	68	58.2 Å²	58.2	32%	0.318	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-50.1	173.9	-74	179.9	5.7	0	0	111.8	P364 L365 L367 K381 E382 L383	P364-Q385 WeakPolarHBondContact CA-O 3.31Å; P364-Q385 HydrophobicContact CB-CB 3.98Å; L365-Q385 PolarHBondContact N-O 3Å; L365-Q385 WeakPolarHBondContact O-CG 3.21Å; L367-Q385 HydrophobicContact CD1-CG 3.71Å; L367-Q385 HydrophobicContact CD2-CG 4.41Å; L367-Q385 HydrophobicContact CG-CG 3.72Å; K381-Q385 WeakPolarHBondContact O-CB 3.31Å; K381-Q385 WeakPolarHBondContact O-CG 3.38Å; K381-Q385 PolarHBondContact O-N 2.63Å; E382-Q385 PolarHBondContact O-N 2.84Å; L383-Q385 VanDerWaalsContact C-N 3.29Å; L383-Q385 PolarHBondContact O-N 3.49Å
386	M	81.4	Confident	84.9	Confident	130 Å²	130	57.4 Å²	57.4	64%	0.64	28%	0.283	S	S	*	.	H	α-helix	trans	-72.6	-36.3	-177.9	-75.4	-159.5	-75.6	0	0	114.1	E382 L383 R388	E382-M386 WeakPolarHBondContact O-CB 3.17Å; E382-M386 WeakPolarHBondContact O-CG 3.4Å; E382-M386 PolarHBondContact O-N 2.69Å; L383-M386 PolarHBondContact O-N 2.99Å; M386-R388 VanDerWaalsContact C-N 3.33Å
387	V	83.7	Confident	85.3	Confident	8 Å²	8	59.7 Å²	59.7	5%	0.048	29%	0.292	C	S	.	.	H	α-helix	trans	-87.8	-10.9	-179.6	-177.1	0	0	0	0	111.1	L383 K426 K429	L383-V387 HydrophobicContact CD1-CG2 3.72Å; L383-V387 HydrophobicContact CG-CG2 4.07Å; L383-V387 VanDerWaalsContact O-CB 3.22Å; L383-V387 WeakPolarHBondContact O-CB 3.24Å; L383-V387 VanDerWaalsContact O-CG2 3.26Å; L383-V387 WeakPolarHBondContact O-CG2 3.4Å; L383-V387 PolarHBondContact O-N 3.34Å; V387-K426 HydrophobicContact CG1-CB 3.69Å; V387-K426 HydrophobicContact CG1-CD 3.96Å; V387-K426 HydrophobicContact CG1-CG 3.65Å; V387-K426 WeakPolarHBondContact O-CE 3.42Å; V387-K426 PolarHBondContact O-NZ 3.1Å; V387-K429 HydrophobicContact CG2-CB 3.94Å; V387-K429 HydrophobicContact CG2-CD 3.81Å
388	R	84.6	Confident	85.4	Confident	135 Å²	135	56.4 Å²	56.4	51%	0.509	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	63	-174.9	-58.8	-180	63	-149.9	0.8	110.2	L365 C384 M386 K426	L365-R388 HydrophobicContact CB-CB 4.38Å; L365-R388 HydrophobicContact CB-CG 4.27Å; C384-R388 CarbonylContact O-C 3.55Å; C384-R388 WeakPolarHBondContact O-CA 3.3Å; C384-R388 PolarHBondContact O-N 2.89Å; M386-R388 VanDerWaalsContact C-N 3.33Å; R388-K426 PolarHBondContact O-NZ 2.91Å
389	L	84.5	Confident	85.8	Confident	13 Å²	13	52.4 Å²	52.4	7%	0.068	26%	0.26	C	S	.	.			trans	-118.3	132.7	179.8	-156.9	75.1	0	0	0	108.4	L365 C384 Y394 Y397 I422 I430	L365-L389 WeakPolarHBondContact CD2-O 3.15Å; C384-L389 WeakPolarHBondContact CB-O 3.07Å; C384-L389 PolarHBondContact O-N 3.38Å; L389-Y394 HydrophobicContact CD2-CD2 3.77Å; L389-Y394 HydrophobicContact CD2-CG 4.14Å; L389-Y397 HydrophobicContact CD1-CD2 4.36Å; L389-Y397 HydrophobicContact CD1-CE2 4.01Å; L389-Y397 HydrophobicContact CD2-CD2 4.08Å; L389-Y397 HydrophobicContact CD2-CE2 4.48Å; L389-I422 HydrophobicContact CD1-CD1 4.39Å; L389-I430 HydrophobicContact CD2-CD1 3.73Å; L389-I430 HydrophobicContact CD2-CG1 4.49Å
390	V	86.7	Confident	86	Confident	71 Å²	71	49.1 Å²	49.1	43%	0.43	25%	0.253	S	S	.	.			trans	-69.7	133.2	175.3	179.3	0	0	0	0	108.3	G392 A393 Y394	V390-G392 VanDerWaalsContact C-N 3.34Å; V390-G392 PolarHBondContact O-N 3.12Å; V390-A393 PolarHBondContact O-N 3.3Å; V390-Y394 PolarHBondContact O-N 2.57Å
391	P	86.2	Confident	86.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-50	-43.2	-177.2	-39	45	0	0	0	115.9	L367 T373 L376 A393 Y394 L395	L367-P391 HydrophobicContact CD2-CG 3.82Å; T373-P391 HydrophobicContact CG2-CB 4.02Å; T373-P391 HydrophobicContact CG2-CG 3.56Å; L376-P391 HydrophobicContact CD1-CB 3.52Å; L376-P391 HydrophobicContact CD1-CG 3.71Å; L376-P391 HydrophobicContact CG-CB 4.27Å; P391-A393 PolarHBondContact O-N 3.07Å; P391-Y394 WeakPolarHBondContact O-CB 3.27Å; P391-Y394 PolarHBondContact O-N 2.93Å; P391-L395 WeakPolarHBondContact O-CG 3.45Å; P391-L395 PolarHBondContact O-N 2.8Å; P391-L395 VanDerWaalsContact O-N 3.12Å
392	G	83.7	Confident	86.4	Confident	25 Å²	25	47.4 Å²	47.4	26%	0.258	25%	0.247	S	C	.	.	H	α-helix	trans	-57	-49.4	174.4	0	0	0	0	0	113	V390 Y394 L395 E396	V390-G392 VanDerWaalsContact C-N 3.34Å; V390-G392 PolarHBondContact O-N 3.12Å; G392-Y394 VanDerWaalsContact C-N 3.33Å; G392-Y394 PolarHBondContact O-N 3.38Å; G392-L395 PolarHBondContact O-N 3.34Å; G392-E396 PolarHBondContact O-N 3.26Å
393	A	86	Confident	86.6	Confident	25 Å²	25	46.8 Å²	46.8	21%	0.207	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-35.5	178.5	0	0	0	0	0	112.4	V390 P391 E396 Y397	V390-A393 PolarHBondContact O-N 3.3Å; P391-A393 PolarHBondContact O-N 3.07Å; A393-E396 PolarHBondContact O-N 2.96Å; A393-Y397 HydrophobicContact CB-CE2 3.94Å; A393-Y397 WeakPolarHBondContact O-CD2 3.25Å; A393-Y397 WeakPolarHBondContact O-CE2 3.37Å; A393-Y397 PolarHBondContact O-N 3.46Å
394	Y	89.2	Confident	86.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-47.3	173.2	175.4	-104.1	0	0	0	112.4	L376 E380 L383 L389 V390 P391 G392 E396 Y397 K398 I430 F433	L376-Y394 HydrophobicContact CD2-CD1 3.39Å; L376-Y394 HydrophobicContact CD2-CE1 3.75Å; L376-Y394 HydrophobicContact CD2-CG 4.49Å; E380-Y394 HydrophobicContact CB-CE1 4Å; E380-Y394 HydrophobicContact CG-CE1 4.05Å; E380-Y394 PolarHBondContact OE1-OH 3.23Å; L383-Y394 HydrophobicContact CD2-CD2 4.36Å; L383-Y394 HydrophobicContact CD2-CE2 3.61Å; L389-Y394 HydrophobicContact CD2-CD2 3.77Å; L389-Y394 HydrophobicContact CD2-CG 4.14Å; V390-Y394 PolarHBondContact O-N 2.57Å; P391-Y394 WeakPolarHBondContact O-CB 3.27Å; P391-Y394 PolarHBondContact O-N 2.93Å; G392-Y394 VanDerWaalsContact C-N 3.33Å; G392-Y394 PolarHBondContact O-N 3.38Å; Y394-E396 VanDerWaalsContact C-N 3.31Å; Y394-E396 PolarHBondContact O-N 3.2Å; Y394-Y397 PolarHBondContact O-N 3.03Å; Y394-K398 HydrophobicContact CE1-CB 4.43Å; Y394-K398 HydrophobicContact CE1-CD 3.98Å; Y394-K398 WeakPolarHBondContact O-CB 3.49Å; Y394-K398 PolarHBondContact O-N 3.08Å; Y394-I430 HydrophobicContact CE2-CG2 4.27Å; Y394-F433 WeakPolarHBondContact OH-CE1 3.14Å
395	L	88.3	Confident	86.9	Confident	49 Å²	49	48.4 Å²	48.4	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-39.6	-178.3	-69.1	169.8	0	0	0	111.3	K375 L376 P391 G392 K398 S399	K375-L395 HydrophobicContact CB-CD1 3.9Å; K375-L395 HydrophobicContact CD-CD1 4.32Å; L376-L395 HydrophobicContact CD2-CD1 4.49Å; L376-L395 HydrophobicContact CD2-CD2 3.72Å; L376-L395 HydrophobicContact CD2-CG 3.98Å; P391-L395 WeakPolarHBondContact O-CG 3.45Å; P391-L395 PolarHBondContact O-N 2.8Å; P391-L395 VanDerWaalsContact O-N 3.12Å; G392-L395 PolarHBondContact O-N 3.34Å; L395-K398 PolarHBondContact O-N 2.95Å; L395-S399 WeakPolarHBondContact O-CB 3.25Å; L395-S399 PolarHBondContact O-N 3.43Å; L395-S399 PolarHBondContact O-OG 3.25Å
396	E	88.2	Confident	87	Confident	130 Å²	130	51.1 Å²	51.1	61%	0.607	27%	0.271	S	S	*	.	H	α-helix	trans	-60.8	-50.1	173.4	-71	173.7	-168.3	0	0	111.3	G392 A393 Y394 K398 S399 A400	G392-E396 PolarHBondContact O-N 3.26Å; A393-E396 PolarHBondContact O-N 2.96Å; Y394-E396 VanDerWaalsContact C-N 3.31Å; Y394-E396 PolarHBondContact O-N 3.2Å; E396-K398 PolarHBondContact O-N 3.47Å; E396-S399 PolarHBondContact O-N 3.42Å; E396-S399 PolarHBondContact O-OG 3.33Å; E396-A400 PolarHBondContact O-N 2.98Å
397	Y	90.8	Very high	87.1	Confident	55 Å²	55	52.5 Å²	52.5	22%	0.216	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-40.9	178.3	-59.8	-30.1	0	0	0	112.6	L389 A393 Y394 S399 A400 L401 I420 I422 I430	L389-Y397 HydrophobicContact CD1-CD2 4.36Å; L389-Y397 HydrophobicContact CD1-CE2 4.01Å; L389-Y397 HydrophobicContact CD2-CD2 4.08Å; L389-Y397 HydrophobicContact CD2-CE2 4.48Å; A393-Y397 HydrophobicContact CB-CE2 3.94Å; A393-Y397 WeakPolarHBondContact O-CD2 3.25Å; A393-Y397 WeakPolarHBondContact O-CE2 3.37Å; A393-Y397 PolarHBondContact O-N 3.46Å; Y394-Y397 PolarHBondContact O-N 3.03Å; Y397-S399 VanDerWaalsContact C-N 3.35Å; Y397-S399 PolarHBondContact O-N 3.46Å; Y397-A400 PolarHBondContact O-N 3.48Å; Y397-L401 VanDerWaalsContact O-CG 3.24Å; Y397-L401 WeakPolarHBondContact O-CG 3.27Å; Y397-L401 PolarHBondContact O-N 3.24Å; Y397-I420 HydrophobicContact CD1-CB 3.7Å; Y397-I420 HydrophobicContact CD1-CG2 3.76Å; Y397-I420 HydrophobicContact CE1-CB 4.25Å; Y397-I420 HydrophobicContact CG-CB 4.08Å; Y397-I420 HydrophobicContact CG-CD1 4.4Å; Y397-I420 HydrophobicContact CG-CG2 4.05Å; Y397-I422 HydrophobicContact CD2-CD1 4.06Å; Y397-I422 HydrophobicContact CE1-CG2 4.19Å; Y397-I422 HydrophobicContact CE2-CD1 3.98Å; Y397-I422 HydrophobicContact CE2-CG2 3.73Å; Y397-I422 VanDerWaalsContact CZ-CG2 3.48Å; Y397-I422 VanDerWaalsContact OH-CG2 3.29Å; Y397-I422 WeakPolarHBondContact OH-CG2 3.45Å; Y397-I430 HydrophobicContact CD2-CD1 4.49Å
398	K	89	Confident	87	Confident	33 Å²	33	56.9 Å²	56.9	14%	0.143	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-47.4	174.8	179	178.5	177.7	-176.7	0	110.5	E380 Y394 L395 E396 A400 L401 L402 L434	E380-K398 IonicContact OE1-NZ 2.74Å; E380-K398 PolarHBondContact OE1-NZ 2.87Å; Y394-K398 HydrophobicContact CE1-CB 4.43Å; Y394-K398 HydrophobicContact CE1-CD 3.98Å; Y394-K398 WeakPolarHBondContact O-CB 3.49Å; Y394-K398 PolarHBondContact O-N 3.08Å; L395-K398 PolarHBondContact O-N 2.95Å; E396-K398 PolarHBondContact O-N 3.47Å; K398-A400 PolarHBondContact O-N 3.14Å; K398-L401 PolarHBondContact O-N 3.43Å; K398-L402 HydrophobicContact CG-CD1 3.87Å; K398-L402 HydrophobicContact CG-CG 4.43Å; K398-L402 WeakPolarHBondContact O-CB 3.35Å; K398-L402 VanDerWaalsContact O-CG 3.27Å; K398-L402 WeakPolarHBondContact O-CG 3.34Å; K398-L402 PolarHBondContact O-N 3.18Å; K398-L434 HydrophobicContact CD-CD2 4.33Å; K398-L434 HydrophobicContact CG-CD2 4.04Å
399	S	89.5	Confident	86.7	Confident	58 Å²	58	53.4 Å²	53.4	41%	0.406	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-41.8	179.6	74.9	0	0	0	0	112.6	L395 E396 Y397 L402 N403	L395-S399 WeakPolarHBondContact O-CB 3.25Å; L395-S399 PolarHBondContact O-N 3.43Å; L395-S399 PolarHBondContact O-OG 3.25Å; E396-S399 PolarHBondContact O-N 3.42Å; E396-S399 PolarHBondContact O-OG 3.33Å; Y397-S399 VanDerWaalsContact C-N 3.35Å; Y397-S399 PolarHBondContact O-N 3.46Å; S399-L402 PolarHBondContact O-N 3.05Å; S399-N403 WeakPolarHBondContact O-CB 3.35Å; S399-N403 PolarHBondContact O-N 3.31Å; S399-N403 PolarHBondContact O-ND2 2.72Å
400	A	88.4	Confident	86.7	Confident	37 Å²	37	53.2 Å²	53.2	31%	0.306	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-43.8	178.8	0	0	0	0	0	112	E396 Y397 K398 E404 I420	E396-A400 PolarHBondContact O-N 2.98Å; Y397-A400 PolarHBondContact O-N 3.48Å; K398-A400 PolarHBondContact O-N 3.14Å; A400-E404 PolarHBondContact O-N 3.43Å; A400-I420 HydrophobicContact CB-CG2 4.48Å
401	L	88.4	Confident	86.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.3	-38.2	179.5	-64	173.5	0	0	0	112.2	Y397 K398 C405 L411 A416 L419 I420 I430 L434 I440	Y397-L401 VanDerWaalsContact O-CG 3.24Å; Y397-L401 WeakPolarHBondContact O-CG 3.27Å; Y397-L401 PolarHBondContact O-N 3.24Å; K398-L401 PolarHBondContact O-N 3.43Å; L401-C405 WeakPolarHBondContact O-CB 3.24Å; L401-C405 PolarHBondContact O-N 3.04Å; L401-L411 HydrophobicContact CB-CD2 4.05Å; L401-L411 HydrophobicContact CD2-CD2 3.68Å; L401-L411 HydrophobicContact CG-CD2 4.44Å; L401-A416 HydrophobicContact CD2-CB 3.64Å; L401-L419 HydrophobicContact CD2-CB 4.48Å; L401-L419 HydrophobicContact CD2-CD1 4.21Å; L401-I420 HydrophobicContact CD1-CD1 4.39Å; L401-I420 HydrophobicContact CD1-CG2 4.45Å; L401-I420 HydrophobicContact CD2-CG2 4.04Å; L401-I420 HydrophobicContact CG-CG2 4.01Å; L401-I430 HydrophobicContact CD1-CG2 4.07Å; L401-L434 HydrophobicContact CB-CD1 4.32Å; L401-L434 HydrophobicContact CD1-CD1 3.85Å; L401-I440 HydrophobicContact CB-CD1 3.59Å
402	L	88.7	Confident	86.8	Confident	38 Å²	38	57 Å²	57	20%	0.199	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-47	175.1	-79.5	174.5	0	0	0	112	K398 S399 E404 C405 N406 Y439 I440	K398-L402 HydrophobicContact CG-CD1 3.87Å; K398-L402 HydrophobicContact CG-CG 4.43Å; K398-L402 WeakPolarHBondContact O-CB 3.35Å; K398-L402 VanDerWaalsContact O-CG 3.27Å; K398-L402 WeakPolarHBondContact O-CG 3.34Å; K398-L402 PolarHBondContact O-N 3.18Å; S399-L402 PolarHBondContact O-N 3.05Å; L402-E404 VanDerWaalsContact C-N 3.28Å; L402-E404 PolarHBondContact O-N 3.49Å; L402-C405 PolarHBondContact O-N 3.01Å; L402-N406 WeakPolarHBondContact O-CB 3.47Å; L402-N406 PolarHBondContact O-N 3.5Å; L402-Y439 WeakPolarHBondContact CD2-O 3.45Å; L402-I440 HydrophobicContact CD2-CG1 3.96Å
403	N	88.8	Confident	87	Confident	94 Å²	94	57.3 Å²	57.3	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-38.9	-180	-75.6	-17.5	0	0	0	111.8	S399 K407	S399-N403 WeakPolarHBondContact O-CB 3.35Å; S399-N403 PolarHBondContact O-N 3.31Å; S399-N403 PolarHBondContact O-ND2 2.72Å; N403-K407 VanDerWaalsContact O-CG 3.31Å; N403-K407 WeakPolarHBondContact O-CG 3.36Å; N403-K407 PolarHBondContact O-N 2.98Å
404	E	86.4	Confident	86.9	Confident	42 Å²	42	59.5 Å²	59.5	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-73.6	-37.9	178.3	-161.1	64.1	-158.7	0	0	112.5	A400 L402 N406 K407 Q408 L411 L419	A400-E404 PolarHBondContact O-N 3.43Å; L402-E404 VanDerWaalsContact C-N 3.28Å; L402-E404 PolarHBondContact O-N 3.49Å; E404-N406 VanDerWaalsContact C-N 3.33Å; E404-N406 PolarHBondContact O-N 2.94Å; E404-K407 PolarHBondContact O-N 3.33Å; E404-K407 IonicContact OE2-NZ 3.42Å; E404-Q408 PolarHBondContact O-N 2.96Å; E404-Q408 VanDerWaalsContact O-N 3.09Å; E404-Q408 PolarHBondContact OE1-NE2 3.35Å; E404-L411 HydrophobicContact CB-CD1 4.1Å; E404-L411 HydrophobicContact CG-CD1 3.95Å; E404-L419 HydrophobicContact CB-CD1 3.76Å; E404-L419 HydrophobicContact CG-CD1 3.79Å
405	C	87.6	Confident	86.7	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.034	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-42.7	174.1	-172.5	0	0	0	0	111.8	L401 L402 K407 Q408 G409 G410 L411 I440 T441	L401-C405 WeakPolarHBondContact O-CB 3.24Å; L401-C405 PolarHBondContact O-N 3.04Å; L402-C405 PolarHBondContact O-N 3.01Å; C405-K407 VanDerWaalsContact C-N 3.27Å; C405-K407 PolarHBondContact O-N 2.86Å; C405-Q408 PolarHBondContact O-N 3.31Å; C405-G409 WeakPolarHBondContact O-CA 3.28Å; C405-G409 PolarHBondContact O-N 2.98Å; C405-G410 PolarHBondContact O-N 3.39Å; C405-L411 HydrophobicContact CB-CB 4.18Å; C405-I440 HydrophobicContact CB-CB 4.46Å; C405-I440 HydrophobicContact CB-CG1 4.19Å; C405-I440 HydrophobicContact CB-CG2 3.96Å; C405-T441 PolarHBondContact SG-N 2.89Å; C405-T441 VanDerWaalsContact SG-N 3.42Å; C405-T441 PolarHBondContact SG-OG1 3.04Å
406	N	85.9	Confident	86.6	Confident	126 Å²	126	60.2 Å²	60.2	67%	0.674	32%	0.323	S	S	*	.	H	α-helix	trans	-65.2	-31.4	178.3	-73.8	-15.1	0	0	0	112.5	L402 E404	L402-N406 WeakPolarHBondContact O-CB 3.47Å; L402-N406 PolarHBondContact O-N 3.5Å; E404-N406 VanDerWaalsContact C-N 3.33Å; E404-N406 PolarHBondContact O-N 2.94Å
407	K	85	Confident	86.6	Confident	159 Å²	159	58 Å²	58	69%	0.691	31%	0.309	S	S	*	.	H	α-helix	trans	-73.5	-39	176.3	-73.9	173.1	-174.7	176.2	0	113.1	N403 E404 C405	N403-K407 VanDerWaalsContact O-CG 3.31Å; N403-K407 WeakPolarHBondContact O-CG 3.36Å; N403-K407 PolarHBondContact O-N 2.98Å; E404-K407 PolarHBondContact O-N 3.33Å; E404-K407 IonicContact OE2-NZ 3.42Å; C405-K407 VanDerWaalsContact C-N 3.27Å; C405-K407 PolarHBondContact O-N 2.86Å
408	Q	80.8	Confident	86.3	Confident	100 Å²	100	58.7 Å²	58.7	47%	0.467	33%	0.326	S	S	.	.	H	α-helix	trans	-102.6	-4.1	-171.6	-60.6	-167.4	15.4	0	0	114.1	E404 C405 G410	E404-Q408 PolarHBondContact O-N 2.96Å; E404-Q408 VanDerWaalsContact O-N 3.09Å; E404-Q408 PolarHBondContact OE1-NE2 3.35Å; C405-Q408 PolarHBondContact O-N 3.31Å; Q408-G410 WeakPolarHBondContact CB-O 3.44Å; Q408-G410 PolarHBondContact O-N 3.35Å
409	G	79.4	Confident	86.1	Confident	62 Å²	62	60.5 Å²	60.5	64%	0.639	34%	0.337	S	S	*	.	S	Bend	trans	73.7	-0.5	-175.8	0	0	0	0	0	114.3	C405 T441	C405-G409 WeakPolarHBondContact O-CA 3.28Å; C405-G409 PolarHBondContact O-N 2.98Å; G409-T441 PolarHBondContact O-OG1 2.7Å
410	G	83.7	Confident	85.9	Confident	8 Å²	8	58.3 Å²	58.3	8%	0.082	32%	0.321	C	S	.	.	S	Bend	trans	178.8	158.8	177.8	0	0	0	0	0	110.5	C405 Q408 T441	C405-G410 PolarHBondContact O-N 3.39Å; Q408-G410 WeakPolarHBondContact CB-O 3.44Å; Q408-G410 PolarHBondContact O-N 3.35Å; G410-T441 VanDerWaalsContact CA-O 3.31Å; G410-T441 WeakPolarHBondContact CA-O 3.36Å; G410-T441 WeakPolarHBondContact CA-OG1 3.47Å
411	L	87.3	Confident	85.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-127.1	131.4	-179.4	-170.6	67.8	0	0	0	109.8	L401 E404 C405 Q415 A416 L419 Y431 I440 T441 G443	L401-L411 HydrophobicContact CB-CD2 4.05Å; L401-L411 HydrophobicContact CD2-CD2 3.68Å; L401-L411 HydrophobicContact CG-CD2 4.44Å; E404-L411 HydrophobicContact CB-CD1 4.1Å; E404-L411 HydrophobicContact CG-CD1 3.95Å; C405-L411 HydrophobicContact CB-CB 4.18Å; L411-Q415 HydrophobicContact CD1-CB 3.83Å; L411-A416 HydrophobicContact CD2-CB 4.08Å; L411-A416 HydrophobicContact CG-CB 4.48Å; L411-L419 HydrophobicContact CD1-CD1 4.06Å; L411-Y431 HydrophobicContact CB-CE2 4.43Å; L411-Y431 HydrophobicContact CD2-CD2 4.45Å; L411-Y431 HydrophobicContact CD2-CE2 4.37Å; L411-Y431 HydrophobicContact CG-CE2 4.33Å; L411-Y431 WeakPolarHBondContact O-CE2 3.31Å; L411-Y431 PolarHBondContact O-OH 3.5Å; L411-I440 HydrophobicContact CB-CG2 3.76Å; L411-I440 HydrophobicContact CD2-CD1 4.23Å; L411-I440 HydrophobicContact CD2-CG2 4.37Å; L411-T441 PolarHBondContact N-O 2.89Å; L411-G443 PolarHBondContact O-N 3.24Å
412	R	88.1	Confident	85.6	Confident	151 Å²	151	67.1 Å²	67.1	57%	0.57	35%	0.354	S	S	*	.			trans	-89.8	148.1	171.6	-68.2	-179.8	179.2	174.4	4.4	110.9	A414 Q415 A416 G443	R412-A414 PolarHBondContact O-N 3.04Å; R412-A414 VanDerWaalsContact O-N 3.1Å; R412-Q415 HydrophobicContact CB-CG 4.34Å; R412-Q415 WeakPolarHBondContact O-CB 3.44Å; R412-Q415 PolarHBondContact O-N 2.88Å; R412-A416 PolarHBondContact O-N 3.08Å; R412-G443 WeakPolarHBondContact CG-O 3.44Å; R412-G443 PolarHBondContact NE-OXT 3.2Å; R412-G443 PolarHBondContact NH2-OXT 2.84Å
413	L	86.9	Confident	85.6	Confident	32 Å²	32	69.4 Å²	69.4	17%	0.168	37%	0.366	C	S	.	.	H	α-helix	trans	-56.1	-31.8	177.4	-178.8	62.7	0	0	0	113.3	R417 R428 Y431	L413-R417 WeakPolarHBondContact O-CG 3.46Å; L413-R417 PolarHBondContact O-N 3.25Å; L413-R417 VanDerWaalsContact O-N 3.11Å; L413-R428 HydrophobicContact CD1-CB 4.33Å; L413-R428 HydrophobicContact CD1-CG 4.47Å; L413-R428 HydrophobicContact CD2-CG 4.31Å; L413-Y431 HydrophobicContact CB-CD1 4.33Å; L413-Y431 HydrophobicContact CB-CE1 3.98Å; L413-Y431 HydrophobicContact CD1-CD1 3.72Å; L413-Y431 HydrophobicContact CD1-CD2 4.42Å; L413-Y431 HydrophobicContact CD1-CE1 4.24Å; L413-Y431 HydrophobicContact CD1-CG 3.8Å; L413-Y431 PolarHBondContact N-OH 2.75Å
414	A	84.8	Confident	85.3	Confident	71 Å²	71	68.4 Å²	68.4	59%	0.587	36%	0.363	S	S	*	.	H	α-helix	trans	-66.8	-39.9	175.6	0	0	0	0	0	112.3	R412 R417 A418	R412-A414 PolarHBondContact O-N 3.04Å; R412-A414 VanDerWaalsContact O-N 3.1Å; A414-R417 PolarHBondContact O-N 3.25Å; A414-A418 PolarHBondContact O-N 2.97Å
415	Q	85	Confident	85.1	Confident	63 Å²	63	70.6 Å²	70.6	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-69	-42.3	176	-64.7	167.5	-38.7	0	0	110.5	L411 R412 R417 A418 L419	L411-Q415 HydrophobicContact CD1-CB 3.83Å; R412-Q415 HydrophobicContact CB-CG 4.34Å; R412-Q415 WeakPolarHBondContact O-CB 3.44Å; R412-Q415 PolarHBondContact O-N 2.88Å; Q415-R417 VanDerWaalsContact C-N 3.28Å; Q415-R417 PolarHBondContact O-N 3.44Å; Q415-A418 PolarHBondContact O-N 3.49Å; Q415-A418 VanDerWaalsContact O-N 3.08Å; Q415-L419 WeakPolarHBondContact O-CD1 3.18Å; Q415-L419 WeakPolarHBondContact O-CG 3.17Å; Q415-L419 PolarHBondContact O-N 2.92Å
416	A	85.9	Confident	85.1	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-55.6	-41.8	174.3	0	0	0	0	0	112.3	L401 L411 R412 L419 I420 T427 Y431	L401-A416 HydrophobicContact CD2-CB 3.64Å; L411-A416 HydrophobicContact CD2-CB 4.08Å; L411-A416 HydrophobicContact CG-CB 4.48Å; R412-A416 PolarHBondContact O-N 3.08Å; A416-L419 PolarHBondContact O-N 3.37Å; A416-I420 WeakPolarHBondContact O-CG1 3.42Å; A416-I420 PolarHBondContact O-N 3.49Å; A416-T427 HydrophobicContact CB-CG2 4.37Å; A416-Y431 HydrophobicContact CB-CD2 3.73Å; A416-Y431 HydrophobicContact CB-CE2 4.27Å
417	R	87.9	Confident	85.1	Confident	84 Å²	84	67.7 Å²	67.7	32%	0.317	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-38.2	175.6	-72.6	167.7	-179.5	171.6	-3	113.5	L413 A414 Q415 L419 K421 T427	L413-R417 WeakPolarHBondContact O-CG 3.46Å; L413-R417 PolarHBondContact O-N 3.25Å; L413-R417 VanDerWaalsContact O-N 3.11Å; A414-R417 PolarHBondContact O-N 3.25Å; Q415-R417 VanDerWaalsContact C-N 3.28Å; Q415-R417 PolarHBondContact O-N 3.44Å; R417-L419 VanDerWaalsContact C-N 3.31Å; R417-K421 PolarHBondContact O-N 3.43Å; R417-T427 HydrophobicContact CB-CG2 4.48Å; R417-T427 HydrophobicContact CG-CG2 3.79Å
418	A	84.9	Confident	85.2	Confident	69 Å²	69	65.6 Å²	65.6	57%	0.57	34%	0.344	S	S	*	.	H	α-helix	trans	-68.8	-32.1	177.9	0	0	0	0	0	112.3	A414 Q415	A414-A418 PolarHBondContact O-N 2.97Å; Q415-A418 PolarHBondContact O-N 3.49Å; Q415-A418 VanDerWaalsContact O-N 3.08Å
419	L	84.9	Confident	85.6	Confident	72 Å²	72	66.2 Å²	66.2	38%	0.377	35%	0.346	S	S	.	.	H	α-helix	trans	-75.7	-53	-175.9	-72.5	161.7	0	0	0	113.6	L401 E404 L411 Q415 A416 R417	L401-L419 HydrophobicContact CD2-CB 4.48Å; L401-L419 HydrophobicContact CD2-CD1 4.21Å; E404-L419 HydrophobicContact CB-CD1 3.76Å; E404-L419 HydrophobicContact CG-CD1 3.79Å; L411-L419 HydrophobicContact CD1-CD1 4.06Å; Q415-L419 WeakPolarHBondContact O-CD1 3.18Å; Q415-L419 WeakPolarHBondContact O-CG 3.17Å; Q415-L419 PolarHBondContact O-N 2.92Å; A416-L419 PolarHBondContact O-N 3.37Å; R417-L419 VanDerWaalsContact C-N 3.31Å
420	I	85.2	Confident	86	Confident	11 Å²	11	63.3 Å²	63.3	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-94.4	-8.5	-169.7	64.1	169.5	0	0	0	114.2	Y397 A400 L401 A416 I422 T427 I430	Y397-I420 HydrophobicContact CD1-CB 3.7Å; Y397-I420 HydrophobicContact CD1-CG2 3.76Å; Y397-I420 HydrophobicContact CE1-CB 4.25Å; Y397-I420 HydrophobicContact CG-CB 4.08Å; Y397-I420 HydrophobicContact CG-CD1 4.4Å; Y397-I420 HydrophobicContact CG-CG2 4.05Å; A400-I420 HydrophobicContact CB-CG2 4.48Å; L401-I420 HydrophobicContact CD1-CD1 4.39Å; L401-I420 HydrophobicContact CD1-CG2 4.45Å; L401-I420 HydrophobicContact CD2-CG2 4.04Å; L401-I420 HydrophobicContact CG-CG2 4.01Å; A416-I420 WeakPolarHBondContact O-CG1 3.42Å; A416-I420 PolarHBondContact O-N 3.49Å; I420-I422 HydrophobicContact CD1-CD1 3.7Å; I420-I422 HydrophobicContact CD1-CG1 3.79Å; I420-I422 HydrophobicContact CG1-CD1 4.43Å; I420-I422 HydrophobicContact CG1-CG1 4.03Å; I420-I422 WeakPolarHBondContact O-CG2 3.44Å; I420-I422 PolarHBondContact O-N 3.21Å; I420-T427 HydrophobicContact CD1-CG2 3.74Å; I420-T427 HydrophobicContact CG1-CG2 3.98Å; I420-I430 HydrophobicContact CD1-CD1 4.44Å
421	K	84.3	Confident	86.2	Confident	185 Å²	185	63.3 Å²	63.3	80%	0.804	31%	0.313	S	S	*	.			trans	42.6	37.4	173.1	-61.6	-174.2	-179.8	178.3	0	115.7	R417	R417-K421 PolarHBondContact O-N 3.43Å
422	I	86.8	Confident	86.3	Confident	38 Å²	38	66.4 Å²	66.4	20%	0.195	33%	0.33	C	S	.	.	S	Bend	trans	-107.2	177.5	172.4	65.8	176.3	0	0	0	111.3	L389 Y397 I420 V424 K426 T427 I430	L389-I422 HydrophobicContact CD1-CD1 4.39Å; Y397-I422 HydrophobicContact CD2-CD1 4.06Å; Y397-I422 HydrophobicContact CE1-CG2 4.19Å; Y397-I422 HydrophobicContact CE2-CD1 3.98Å; Y397-I422 HydrophobicContact CE2-CG2 3.73Å; Y397-I422 VanDerWaalsContact CZ-CG2 3.48Å; Y397-I422 VanDerWaalsContact OH-CG2 3.29Å; Y397-I422 WeakPolarHBondContact OH-CG2 3.45Å; I420-I422 HydrophobicContact CD1-CD1 3.7Å; I420-I422 HydrophobicContact CD1-CG1 3.79Å; I420-I422 HydrophobicContact CG1-CD1 4.43Å; I420-I422 HydrophobicContact CG1-CG1 4.03Å; I420-I422 WeakPolarHBondContact O-CG2 3.44Å; I420-I422 PolarHBondContact O-N 3.21Å; I422-V424 PolarHBondContact O-N 3.32Å; I422-K426 HydrophobicContact CD1-CB 3.98Å; I422-K426 HydrophobicContact CG1-CB 4.48Å; I422-T427 WeakPolarHBondContact CG1-OG1 3.21Å; I422-T427 PolarHBondContact O-OG1 3.24Å; I422-I430 HydrophobicContact CD1-CD1 3.76Å
423	D	87.5	Confident	86.4	Confident	85 Å²	85	60 Å²	60	46%	0.455	31%	0.306	S	S	.	.			trans	-44.8	134	174.9	175.8	-93.7	0	0	0	112.3	N425 K426 T427	D423-N425 PolarHBondContact O-N 2.93Å; D423-N425 WeakPolarHBondContact OD1-CA 3.45Å; D423-N425 VanDerWaalsContact OD1-CB 3.24Å; D423-N425 WeakPolarHBondContact OD1-CB 3.25Å; D423-N425 PolarHBondContact OD1-N 3Å; D423-K426 HydrophobicContact CB-CB 4.27Å; D423-K426 HydrophobicContact CB-CD 4.28Å; D423-K426 HydrophobicContact CB-CG 4Å; D423-K426 PolarHBondContact O-N 3.37Å; D423-K426 VanDerWaalsContact O-N 3.13Å; D423-K426 PolarHBondContact OD1-N 3.12Å; D423-K426 VanDerWaalsContact OD1-N 3.08Å; D423-T427 PolarHBondContact O-N 3.3Å; D423-T427 PolarHBondContact O-OG1 2.75Å
424	V	82.9	Confident	86.4	Confident	73 Å²	73	58.5 Å²	58.5	44%	0.442	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-31.5	-170.6	-175.2	0	0	0	0	111.7	I422 R428	I422-V424 PolarHBondContact O-N 3.32Å; V424-R428 WeakPolarHBondContact O-CB 3.3Å; V424-R428 PolarHBondContact O-N 3.21Å; V424-R428 VanDerWaalsContact O-N 3.12Å
425	N	82.8	Confident	86.5	Confident	88 Å²	88	57.5 Å²	57.5	47%	0.471	28%	0.283	S	S	.	.	H	α-helix	trans	-77.5	-38.7	178.1	-57.1	-57.4	0	0	0	111.3	D423 R428 K429	D423-N425 PolarHBondContact O-N 2.93Å; D423-N425 WeakPolarHBondContact OD1-CA 3.45Å; D423-N425 VanDerWaalsContact OD1-CB 3.24Å; D423-N425 WeakPolarHBondContact OD1-CB 3.25Å; D423-N425 PolarHBondContact OD1-N 3Å; N425-R428 PolarHBondContact O-N 3.37Å; N425-K429 WeakPolarHBondContact O-CG 3.39Å; N425-K429 PolarHBondContact O-N 3.06Å
426	K	86.2	Confident	86.7	Confident	70 Å²	70	63.2 Å²	63.2	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-45.2	172.9	-62.7	-166.8	178.7	-167.9	0	111.3	V387 R388 I422 D423 R428 K429 I430	V387-K426 HydrophobicContact CG1-CB 3.69Å; V387-K426 HydrophobicContact CG1-CD 3.96Å; V387-K426 HydrophobicContact CG1-CG 3.65Å; V387-K426 WeakPolarHBondContact O-CE 3.42Å; V387-K426 PolarHBondContact O-NZ 3.1Å; R388-K426 PolarHBondContact O-NZ 2.91Å; I422-K426 HydrophobicContact CD1-CB 3.98Å; I422-K426 HydrophobicContact CG1-CB 4.48Å; D423-K426 HydrophobicContact CB-CB 4.27Å; D423-K426 HydrophobicContact CB-CD 4.28Å; D423-K426 HydrophobicContact CB-CG 4Å; D423-K426 PolarHBondContact O-N 3.37Å; D423-K426 VanDerWaalsContact O-N 3.13Å; D423-K426 PolarHBondContact OD1-N 3.12Å; D423-K426 VanDerWaalsContact OD1-N 3.08Å; K426-R428 VanDerWaalsContact C-N 3.34Å; K426-R428 PolarHBondContact O-N 3.29Å; K426-K429 PolarHBondContact O-N 3.12Å; K426-I430 WeakPolarHBondContact O-CG1 3.07Å; K426-I430 PolarHBondContact O-N 2.96Å
427	T	87.4	Confident	86.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.5	-46.4	176.3	-57.4	0	0	0	0	111.7	A416 R417 I420 I422 D423 K429 I430 Y431	A416-T427 HydrophobicContact CB-CG2 4.37Å; R417-T427 HydrophobicContact CB-CG2 4.48Å; R417-T427 HydrophobicContact CG-CG2 3.79Å; I420-T427 HydrophobicContact CD1-CG2 3.74Å; I420-T427 HydrophobicContact CG1-CG2 3.98Å; I422-T427 WeakPolarHBondContact CG1-OG1 3.21Å; I422-T427 PolarHBondContact O-OG1 3.24Å; D423-T427 PolarHBondContact O-N 3.3Å; D423-T427 PolarHBondContact O-OG1 2.75Å; T427-K429 PolarHBondContact O-N 3.05Å; T427-I430 PolarHBondContact O-N 2.93Å; T427-Y431 VanDerWaalsContact O-CB 3.28Å; T427-Y431 WeakPolarHBondContact O-CB 3.44Å; T427-Y431 PolarHBondContact O-N 3.45Å
428	R	87.5	Confident	86.5	Confident	115 Å²	115	65.4 Å²	65.4	43%	0.434	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-45.9	176.9	-175.5	-173.6	-71.6	-104.5	8.1	111.6	L413 V424 N425 K426 I430 Y431 D432	L413-R428 HydrophobicContact CD1-CB 4.33Å; L413-R428 HydrophobicContact CD1-CG 4.47Å; L413-R428 HydrophobicContact CD2-CG 4.31Å; V424-R428 WeakPolarHBondContact O-CB 3.3Å; V424-R428 PolarHBondContact O-N 3.21Å; V424-R428 VanDerWaalsContact O-N 3.12Å; N425-R428 PolarHBondContact O-N 3.37Å; K426-R428 VanDerWaalsContact C-N 3.34Å; K426-R428 PolarHBondContact O-N 3.29Å; R428-I430 PolarHBondContact O-N 3.38Å; R428-Y431 PolarHBondContact O-N 3.36Å; R428-D432 WeakPolarHBondContact CG-OD2 3.5Å; R428-D432 WeakPolarHBondContact O-CB 3.5Å; R428-D432 PolarHBondContact O-N 3.42Å
429	K	88.3	Confident	86.3	Confident	113 Å²	113	66.4 Å²	66.4	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-39	179.3	-73.6	-176.4	178.4	-171	0	113.1	V387 N425 K426 T427 F433	V387-K429 HydrophobicContact CG2-CB 3.94Å; V387-K429 HydrophobicContact CG2-CD 3.81Å; N425-K429 WeakPolarHBondContact O-CG 3.39Å; N425-K429 PolarHBondContact O-N 3.06Å; K426-K429 PolarHBondContact O-N 3.12Å; T427-K429 PolarHBondContact O-N 3.05Å; K429-F433 VanDerWaalsContact O-CB 3.31Å; K429-F433 WeakPolarHBondContact O-CB 3.33Å; K429-F433 PolarHBondContact O-N 3.05Å; K429-F433 VanDerWaalsContact O-N 3.11Å
430	I	87.8	Confident	86.4	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-67.6	-47.1	175.9	-64	164.4	0	0	0	110.3	L389 Y394 Y397 L401 I420 I422 K426 T427 R428 F433 L434	L389-I430 HydrophobicContact CD2-CD1 3.73Å; L389-I430 HydrophobicContact CD2-CG1 4.49Å; Y394-I430 HydrophobicContact CE2-CG2 4.27Å; Y397-I430 HydrophobicContact CD2-CD1 4.49Å; L401-I430 HydrophobicContact CD1-CG2 4.07Å; I420-I430 HydrophobicContact CD1-CD1 4.44Å; I422-I430 HydrophobicContact CD1-CD1 3.76Å; K426-I430 WeakPolarHBondContact O-CG1 3.07Å; K426-I430 PolarHBondContact O-N 2.96Å; T427-I430 PolarHBondContact O-N 2.93Å; R428-I430 PolarHBondContact O-N 3.38Å; I430-F433 PolarHBondContact O-N 3.42Å; I430-L434 HydrophobicContact CG2-CD1 3.95Å; I430-L434 HydrophobicContact CG2-CG 4.41Å; I430-L434 WeakPolarHBondContact O-CG 3.32Å; I430-L434 PolarHBondContact O-N 2.99Å
431	Y	88.1	Confident	86.3	Confident	8 Å²	8	66.6 Å²	66.6	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-46.8	178.7	175.8	-91.2	0	0	0	112.3	L411 L413 A416 T427 R428 F433 L434 I435	L411-Y431 HydrophobicContact CB-CE2 4.43Å; L411-Y431 HydrophobicContact CD2-CD2 4.45Å; L411-Y431 HydrophobicContact CD2-CE2 4.37Å; L411-Y431 HydrophobicContact CG-CE2 4.33Å; L411-Y431 WeakPolarHBondContact O-CE2 3.31Å; L411-Y431 PolarHBondContact O-OH 3.5Å; L413-Y431 HydrophobicContact CB-CD1 4.33Å; L413-Y431 HydrophobicContact CB-CE1 3.98Å; L413-Y431 HydrophobicContact CD1-CD1 3.72Å; L413-Y431 HydrophobicContact CD1-CD2 4.42Å; L413-Y431 HydrophobicContact CD1-CE1 4.24Å; L413-Y431 HydrophobicContact CD1-CG 3.8Å; L413-Y431 PolarHBondContact N-OH 2.75Å; A416-Y431 HydrophobicContact CB-CD2 3.73Å; A416-Y431 HydrophobicContact CB-CE2 4.27Å; T427-Y431 VanDerWaalsContact O-CB 3.28Å; T427-Y431 WeakPolarHBondContact O-CB 3.44Å; T427-Y431 PolarHBondContact O-N 3.45Å; R428-Y431 PolarHBondContact O-N 3.36Å; Y431-F433 VanDerWaalsContact C-N 3.31Å; Y431-F433 PolarHBondContact O-N 3.29Å; Y431-L434 PolarHBondContact O-N 3.08Å; Y431-I435 HydrophobicContact CD1-CD1 3.78Å; Y431-I435 HydrophobicContact CE1-CD1 3.19Å; Y431-I435 HydrophobicContact CE1-CG1 4.38Å; Y431-I435 HydrophobicContact CE2-CD1 4.06Å; Y431-I435 HydrophobicContact CG-CD1 4.44Å; Y431-I435 WeakPolarHBondContact O-CG1 3.42Å; Y431-I435 PolarHBondContact O-N 3.1Å
432	D	89.3	Confident	86.1	Confident	66 Å²	66	65.8 Å²	65.8	35%	0.353	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-35.2	178.3	-67.1	-19.3	0	0	0	111.8	R428 R436	R428-D432 WeakPolarHBondContact CG-OD2 3.5Å; R428-D432 WeakPolarHBondContact O-CB 3.5Å; R428-D432 PolarHBondContact O-N 3.42Å; D432-R436 WeakPolarHBondContact O-CB 3.49Å; D432-R436 PolarHBondContact O-N 3.22Å
433	F	90.3	Very high	85	Confident	16 Å²	16	66.9 Å²	66.9	7%	0.07	34%	0.344	C	S	.	.	H	α-helix	trans	-66.2	-46	173.9	175.9	-92.5	0	0	0	111.9	K379 E380 L383 Y394 K429 I430 Y431 I435 R436 E437	K379-F433 HydrophobicContact CB-CE2 4.08Å; K379-F433 HydrophobicContact CB-CZ 4Å; E380-F433 HydrophobicContact CG-CE1 4.04Å; E380-F433 HydrophobicContact CG-CZ 4.03Å; L383-F433 HydrophobicContact CD1-CB 4.09Å; L383-F433 HydrophobicContact CD1-CD2 4.24Å; L383-F433 HydrophobicContact CD1-CG 4.21Å; L383-F433 HydrophobicContact CD2-CB 3.97Å; L383-F433 HydrophobicContact CD2-CD1 3.67Å; L383-F433 HydrophobicContact CD2-CD2 4.22Å; L383-F433 HydrophobicContact CD2-CE1 4.17Å; L383-F433 HydrophobicContact CD2-CG 3.69Å; L383-F433 HydrophobicContact CG-CG 4.45Å; Y394-F433 WeakPolarHBondContact OH-CE1 3.14Å; K429-F433 VanDerWaalsContact O-CB 3.31Å; K429-F433 WeakPolarHBondContact O-CB 3.33Å; K429-F433 PolarHBondContact O-N 3.05Å; K429-F433 VanDerWaalsContact O-N 3.11Å; I430-F433 PolarHBondContact O-N 3.42Å; Y431-F433 VanDerWaalsContact C-N 3.31Å; Y431-F433 PolarHBondContact O-N 3.29Å; F433-I435 VanDerWaalsContact C-N 3.32Å; F433-I435 PolarHBondContact O-N 3.42Å; F433-R436 PolarHBondContact O-N 3.11Å; F433-E437 HydrophobicContact CD2-CG 4.44Å; F433-E437 HydrophobicContact CE1-CG 4.13Å; F433-E437 HydrophobicContact CE2-CG 4.03Å; F433-E437 HydrophobicContact CZ-CG 3.87Å; F433-E437 PolarHBondContact O-N 3.24Å
434	L	86.9	Confident	84.9	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-33.2	-179.9	-68.7	175	0	0	0	112.5	K398 L401 I430 Y431 G438 Y439 I440	K398-L434 HydrophobicContact CD-CD2 4.33Å; K398-L434 HydrophobicContact CG-CD2 4.04Å; L401-L434 HydrophobicContact CB-CD1 4.32Å; L401-L434 HydrophobicContact CD1-CD1 3.85Å; I430-L434 HydrophobicContact CG2-CD1 3.95Å; I430-L434 HydrophobicContact CG2-CG 4.41Å; I430-L434 WeakPolarHBondContact O-CG 3.32Å; I430-L434 PolarHBondContact O-N 2.99Å; Y431-L434 PolarHBondContact O-N 3.08Å; L434-G438 PolarHBondContact O-N 3.09Å; L434-Y439 HydrophobicContact CD2-CD2 3.84Å; L434-Y439 HydrophobicContact CD2-CG 4.23Å; L434-Y439 WeakPolarHBondContact O-CB 3.31Å; L434-Y439 PolarHBondContact O-N 3.47Å; L434-I440 HydrophobicContact CB-CB 4.45Å; L434-I440 HydrophobicContact CB-CD1 3.93Å; L434-I440 HydrophobicContact CB-CG1 4.15Å; L434-I440 HydrophobicContact CD1-CD1 3.69Å; L434-I440 HydrophobicContact CG-CD1 4.43Å; L434-I440 PolarHBondContact O-N 2.95Å
435	I	87.6	Confident	85	Confident	51 Å²	51	65.6 Å²	65.6	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-68.2	-44.9	170.9	-71.3	176.3	0	0	0	111	Y431 F433 E437 G438 I440 K442	Y431-I435 HydrophobicContact CD1-CD1 3.78Å; Y431-I435 HydrophobicContact CE1-CD1 3.19Å; Y431-I435 HydrophobicContact CE1-CG1 4.38Å; Y431-I435 HydrophobicContact CE2-CD1 4.06Å; Y431-I435 HydrophobicContact CG-CD1 4.44Å; Y431-I435 WeakPolarHBondContact O-CG1 3.42Å; Y431-I435 PolarHBondContact O-N 3.1Å; F433-I435 VanDerWaalsContact C-N 3.32Å; F433-I435 PolarHBondContact O-N 3.42Å; I435-E437 VanDerWaalsContact C-N 3.33Å; I435-E437 PolarHBondContact O-N 3.36Å; I435-G438 PolarHBondContact O-N 3.39Å; I435-I440 HydrophobicContact CG1-CB 4.49Å; I435-I440 HydrophobicContact CG1-CG2 4.46Å; I435-K442 HydrophobicContact CD1-CB 4.11Å; I435-K442 HydrophobicContact CD1-CG 4.38Å
436	R	89.1	Confident	85.1	Confident	182 Å²	182	64.4 Å²	64.4	69%	0.687	33%	0.325	S	S	*	.	H	α-helix	trans	-62.6	-39.7	-178	-173.2	-176	-59.5	130.7	5.2	112.4	D432 F433 G438	D432-R436 WeakPolarHBondContact O-CB 3.49Å; D432-R436 PolarHBondContact O-N 3.22Å; F433-R436 PolarHBondContact O-N 3.11Å; R436-G438 PolarHBondContact O-N 3.24Å
437	E	85	Confident	85	Confident	68 Å²	68	64.1 Å²	64.1	32%	0.318	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3.6	177	-63.9	-69.6	132.2	0	0	112.7	K379 F433 I435 Y439	K379-E437 WeakPolarHBondContact CD-OE1 3.46Å; K379-E437 WeakPolarHBondContact CD-OE2 3.33Å; K379-E437 IonicContact NZ-OE1 3.68Å; K379-E437 PolarHBondContact NZ-OE1 3.43Å; K379-E437 IonicContact NZ-OE2 2.72Å; K379-E437 PolarHBondContact NZ-OE2 3.35Å; F433-E437 HydrophobicContact CD2-CG 4.44Å; F433-E437 HydrophobicContact CE1-CG 4.13Å; F433-E437 HydrophobicContact CE2-CG 4.03Å; F433-E437 HydrophobicContact CZ-CG 3.87Å; F433-E437 PolarHBondContact O-N 3.24Å; I435-E437 VanDerWaalsContact C-N 3.33Å; I435-E437 PolarHBondContact O-N 3.36Å; E437-Y439 VanDerWaalsContact C-N 3.33Å; E437-Y439 HydrophobicContact CB-CD2 3.57Å; E437-Y439 HydrophobicContact CB-CE2 3.5Å; E437-Y439 VanDerWaalsContact CB-CE2 3.5Å; E437-Y439 HydrophobicContact CG-CE2 4.35Å; E437-Y439 PolarHBondContact O-N 3.41Å
438	G	83.1	Confident	84.9	Confident	63 Å²	63	68.1 Å²	68.1	65%	0.649	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	12.3	173.3	0	0	0	0	0	115.4	L434 I435 R436	L434-G438 PolarHBondContact O-N 3.09Å; I435-G438 PolarHBondContact O-N 3.39Å; R436-G438 PolarHBondContact O-N 3.24Å
439	Y	82.3	Confident	84.7	Confident	90 Å²	90	64.9 Å²	64.9	35%	0.353	34%	0.341	S	S	.	.	S	Bend	trans	-74.4	-27	179.1	-69.5	-64	0	0	0	113.1	L402 L434 E437	L402-Y439 WeakPolarHBondContact CD2-O 3.45Å; L434-Y439 HydrophobicContact CD2-CD2 3.84Å; L434-Y439 HydrophobicContact CD2-CG 4.23Å; L434-Y439 WeakPolarHBondContact O-CB 3.31Å; L434-Y439 PolarHBondContact O-N 3.47Å; E437-Y439 VanDerWaalsContact C-N 3.33Å; E437-Y439 HydrophobicContact CB-CD2 3.57Å; E437-Y439 HydrophobicContact CB-CE2 3.5Å; E437-Y439 VanDerWaalsContact CB-CE2 3.5Å; E437-Y439 HydrophobicContact CG-CE2 4.35Å; E437-Y439 PolarHBondContact O-N 3.41Å
440	I	85.6	Confident	84.4	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.031	33%	0.33	C	S	.	.	S	Bend	trans	-134.9	138.5	-176.3	-65.6	-178.4	0	0	0	109.4	L401 L402 C405 L411 L434 I435	L401-I440 HydrophobicContact CB-CD1 3.59Å; L402-I440 HydrophobicContact CD2-CG1 3.96Å; C405-I440 HydrophobicContact CB-CB 4.46Å; C405-I440 HydrophobicContact CB-CG1 4.19Å; C405-I440 HydrophobicContact CB-CG2 3.96Å; L411-I440 HydrophobicContact CB-CG2 3.76Å; L411-I440 HydrophobicContact CD2-CD1 4.23Å; L411-I440 HydrophobicContact CD2-CG2 4.37Å; L434-I440 HydrophobicContact CB-CB 4.45Å; L434-I440 HydrophobicContact CB-CD1 3.93Å; L434-I440 HydrophobicContact CB-CG1 4.15Å; L434-I440 HydrophobicContact CD1-CD1 3.69Å; L434-I440 HydrophobicContact CG-CD1 4.43Å; L434-I440 PolarHBondContact O-N 2.95Å; I435-I440 HydrophobicContact CG1-CB 4.49Å; I435-I440 HydrophobicContact CG1-CG2 4.46Å
441	T	84.4	Confident	84.2	Confident	80 Å²	80	66.2 Å²	66.2	49%	0.491	36%	0.355	S	S	.	.			trans	-90.7	139	172.9	47.4	0	0	0	0	111	C405 G409 G410 L411 G443	C405-T441 PolarHBondContact SG-N 2.89Å; C405-T441 VanDerWaalsContact SG-N 3.42Å; C405-T441 PolarHBondContact SG-OG1 3.04Å; G409-T441 PolarHBondContact O-OG1 2.7Å; G410-T441 VanDerWaalsContact CA-O 3.31Å; G410-T441 WeakPolarHBondContact CA-O 3.36Å; G410-T441 WeakPolarHBondContact CA-OG1 3.47Å; L411-T441 PolarHBondContact N-O 2.89Å; T441-G443 PolarHBondContact O-N 3.23Å
442	K	79.2	Confident	83.8	Confident	168 Å²	168	71 Å²	71	73%	0.73	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-77.5	115.2	178.9	-170.9	-180	178.5	-174.5	0	109.7	I435	I435-K442 HydrophobicContact CD1-CB 4.11Å; I435-K442 HydrophobicContact CD1-CG 4.38Å
443	G	63.6	Low	83.4	Confident	62 Å²	62	71.5 Å²	71.5	64%	0.639	39%	0.385	S	S	*	.			trans	-94.7	0	177.6	0	0	0	0	0	115.6	L411 R412 T441	L411-G443 PolarHBondContact O-N 3.24Å; R412-G443 WeakPolarHBondContact CG-O 3.44Å; R412-G443 PolarHBondContact NE-OXT 3.2Å; R412-G443 PolarHBondContact NH2-OXT 2.84Å; T441-G443 PolarHBondContact O-N 3.23Å

Retrieved 443 of 443 residues in 689.6 ms (Link to these results)

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