A0A087Y524_POEFO Loading...

DNA/RNA-binding protein KIN17

Involved in DNA replication and the cellular response to DNA damage. May participate in DNA replication factories and create a bridge between DNA replication and repair mediated by high molecular weight complexes. May play a role in illegitimate recombination and regulation of gene expression. May participate in mRNA processing. Binds, in vitro, to double-stranded DNA. Also shown to bind preferentially to curved DNA in vitro and in vivo. Binds via its C-terminal domain to RNA in vitro.

AlphaFold DB , UniProt , Accession A0A087Y524, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.5	Very low	63.2	Low	246 Å²	246	120.3 Å²	120.3	100%	1.212	66%	0.662	S	S	*	*				0	140.7	0	-75.3	-166.9	-103.3	0	0	109.1
2	G	49.4	Very low	64.3	Low	78 Å²	78	116.4 Å²	116.4	80%	0.804	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-68.3	147.3	-179.3	0	0	0	0	0	113.3
3	K	49.8	Very low	64.8	Low	208 Å²	208	110.8 Å²	110.8	90%	0.904	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-71.2	125.3	166.8	-65.2	175.7	-178.3	174.3	0	107.4
4	A	55.3	Low	65.1	Low	63 Å²	63	107.8 Å²	107.8	52%	0.521	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-74	134.2	176.6	0	0	0	0	0	110.4
5	D	64	Low	65.4	Low	128 Å²	128	108.2 Å²	108.2	68%	0.684	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-58.9	153.1	-176.4	-62.3	-71.8	0	0	0	113.7	L7 S8 A11	D5-L7 PolarHBondContact O-N 3.48Å; D5-S8 WeakPolarHBondContact O-CB 3.38Å; D5-S8 PolarHBondContact O-N 3.19Å; D5-A11 WeakPolarHBondContact O-CB 3.33Å
6	F	58.5	Low	65.6	Low	142 Å²	142	108.3 Å²	108.3	62%	0.623	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-28.4	-173.6	-175.7	-83.8	0	0	0	114	R15	F6-R15 VanDerWaalsContact CE1-NH1 3.27Å; F6-R15 VanDerWaalsContact CZ-NH1 3.31Å; F6-R15 VanDerWaalsContact CZ-NH2 3.31Å
7	L	71.1	Confident	65.6	Low	138 Å²	138	108.8 Å²	108.8	72%	0.723	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	4.5	177.4	-65.2	94	0	0	0	113.9	D5 I12	D5-L7 PolarHBondContact O-N 3.48Å; L7-I12 VanDerWaalsContact O-CD1 3.24Å; L7-I12 WeakPolarHBondContact O-CD1 3.32Å
8	S	83	Confident	65.3	Low	33 Å²	33	105.2 Å²	105.2	23%	0.231	56%	0.563	C	S	.	*			trans	-57	138.9	175.6	177	0	0	0	0	110.7	D5 K10 A11 I12	D5-S8 WeakPolarHBondContact O-CB 3.38Å; D5-S8 PolarHBondContact O-N 3.19Å; S8-K10 PolarHBondContact O-N 2.94Å; S8-K10 PolarHBondContact OG-N 3.5Å; S8-A11 CarbonylContact O-C 3.49Å; S8-A11 WeakPolarHBondContact O-CA 3.43Å; S8-A11 WeakPolarHBondContact O-CB 3.38Å; S8-A11 PolarHBondContact O-N 3.15Å; S8-I12 PolarHBondContact O-N 3.43Å
9	P	75.6	Confident	65	Low	107 Å²	107	108.1 Å²	108.1	70%	0.695	57%	0.57	S	S	*	*	H	α-helix	trans	-52.4	-29	173.1	-28.9	35.9	0	0	0	113.4	S13	P9-S13 WeakPolarHBondContact O-CB 3.14Å; P9-S13 PolarHBondContact O-N 2.85Å
10	K	73.2	Confident	64.5	Low	155 Å²	155	104.8 Å²	104.8	67%	0.674	56%	0.563	S	S	*	*	H	α-helix	trans	-72.6	-37.7	175	-162.9	167.5	-174.7	172.6	0	112.4	S8 N14	S8-K10 PolarHBondContact O-N 2.94Å; S8-K10 PolarHBondContact OG-N 3.5Å; K10-N14 WeakPolarHBondContact O-CB 3.33Å; K10-N14 PolarHBondContact O-N 2.63Å; K10-N14 VanDerWaalsContact O-N 3.1Å; K10-N14 PolarHBondContact O-ND2 2.99Å
11	A	73.4	Confident	64	Low	25 Å²	25	105 Å²	105	21%	0.207	56%	0.564	C	S	.	*	H	α-helix	trans	-69.8	-44.1	172.9	0	0	0	0	0	111.5	D5 S8 N14 R15	D5-A11 WeakPolarHBondContact O-CB 3.33Å; S8-A11 CarbonylContact O-C 3.49Å; S8-A11 WeakPolarHBondContact O-CA 3.43Å; S8-A11 WeakPolarHBondContact O-CB 3.38Å; S8-A11 PolarHBondContact O-N 3.15Å; A11-N14 PolarHBondContact O-N 3.3Å; A11-R15 WeakPolarHBondContact O-CB 3.31Å; A11-R15 PolarHBondContact O-N 2.96Å
12	I	76.2	Confident	64.9	Low	74 Å²	74	95.4 Å²	95.4	38%	0.379	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-48.6	176.5	-64.1	172.9	0	0	0	110.7	L7 S8 N14 R15 I16	L7-I12 VanDerWaalsContact O-CD1 3.24Å; L7-I12 WeakPolarHBondContact O-CD1 3.32Å; S8-I12 PolarHBondContact O-N 3.43Å; I12-N14 VanDerWaalsContact C-N 3.26Å; I12-N14 PolarHBondContact O-N 2.85Å; I12-R15 PolarHBondContact O-N 2.76Å; I12-R15 VanDerWaalsContact O-N 3.12Å; I12-I16 HydrophobicContact CG2-CD1 3.78Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 WeakPolarHBondContact O-CG1 3.36Å; I12-I16 PolarHBondContact O-N 3.43Å
13	S	70.9	Confident	65.3	Low	44 Å²	44	100.9 Å²	100.9	31%	0.308	52%	0.518	S	S	.	.	H	α-helix	trans	-58.7	-38.8	175.8	-168.6	0	0	0	0	111.7	P9 K17	P9-S13 WeakPolarHBondContact O-CB 3.14Å; P9-S13 PolarHBondContact O-N 2.85Å; S13-K17 VanDerWaalsContact O-CB 3.31Å; S13-K17 WeakPolarHBondContact O-CB 3.23Å; S13-K17 WeakPolarHBondContact O-CD 3.22Å; S13-K17 VanDerWaalsContact O-CG 3.24Å; S13-K17 WeakPolarHBondContact O-CG 3.34Å; S13-K17 PolarHBondContact O-N 2.83Å; S13-K17 WeakPolarHBondContact OG-CE 3.45Å; S13-K17 PolarHBondContact OG-NZ 3.1Å; S13-K17 VanDerWaalsContact OG-NZ 3.12Å
14	N	69	Low	65.8	Low	68 Å²	68	94.4 Å²	94.4	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-67.5	-42.2	174.5	-81.8	-26.3	0	0	0	112.8	K10 A11 I12 K17 S18 R36	K10-N14 WeakPolarHBondContact O-CB 3.33Å; K10-N14 PolarHBondContact O-N 2.63Å; K10-N14 VanDerWaalsContact O-N 3.1Å; K10-N14 PolarHBondContact O-ND2 2.99Å; A11-N14 PolarHBondContact O-N 3.3Å; I12-N14 VanDerWaalsContact C-N 3.26Å; I12-N14 PolarHBondContact O-N 2.85Å; N14-K17 PolarHBondContact O-N 3.41Å; N14-S18 VanDerWaalsContact O-CB 3.28Å; N14-S18 WeakPolarHBondContact O-CB 3.36Å; N14-S18 PolarHBondContact O-N 2.97Å; N14-S18 PolarHBondContact O-OG 3.39Å; N14-S18 VanDerWaalsContact O-OG 3.13Å; N14-R36 PolarHBondContact OD1-NH1 2.85Å; N14-R36 PolarHBondContact OD1-NH2 2.97Å
15	R	69.1	Low	66.5	Low	114 Å²	114	99.8 Å²	99.8	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-66.1	-34.4	176.9	-173.8	176.9	-73.7	157.3	-1.7	112.6	F6 A11 I12 S18 K19	F6-R15 VanDerWaalsContact CE1-NH1 3.27Å; F6-R15 VanDerWaalsContact CZ-NH1 3.31Å; F6-R15 VanDerWaalsContact CZ-NH2 3.31Å; A11-R15 WeakPolarHBondContact O-CB 3.31Å; A11-R15 PolarHBondContact O-N 2.96Å; I12-R15 PolarHBondContact O-N 2.76Å; I12-R15 VanDerWaalsContact O-N 3.12Å; R15-S18 WeakPolarHBondContact CA-OG 3.26Å; R15-S18 PolarHBondContact O-OG 2.94Å; R15-K19 WeakPolarHBondContact O-CG 3.08Å; R15-K19 PolarHBondContact O-N 2.6Å
16	I	68.9	Low	67	Low	110 Å²	110	95.8 Å²	95.8	56%	0.564	48%	0.475	S	S	*	.	H	α-helix	trans	-69.9	-49.8	173.1	-67.9	169.9	0	0	0	110	I12 S18 K19	I12-I16 HydrophobicContact CG2-CD1 3.78Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 WeakPolarHBondContact O-CG1 3.36Å; I12-I16 PolarHBondContact O-N 3.43Å; I16-S18 PolarHBondContact O-N 3.5Å; I16-K19 WeakPolarHBondContact O-CB 3.49Å; I16-K19 PolarHBondContact O-N 2.94Å
17	K	65.4	Low	67.9	Low	116 Å²	116	90.8 Å²	90.8	50%	0.504	45%	0.452	S	S	.	.	H	α-helix	trans	-62.1	-28.5	177.7	-72.2	166.9	-179.2	166.2	0	112.5	S13 N14 Q22	S13-K17 VanDerWaalsContact O-CB 3.31Å; S13-K17 WeakPolarHBondContact O-CB 3.23Å; S13-K17 WeakPolarHBondContact O-CD 3.22Å; S13-K17 VanDerWaalsContact O-CG 3.24Å; S13-K17 WeakPolarHBondContact O-CG 3.34Å; S13-K17 PolarHBondContact O-N 2.83Å; S13-K17 WeakPolarHBondContact OG-CE 3.45Å; S13-K17 PolarHBondContact OG-NZ 3.1Å; S13-K17 VanDerWaalsContact OG-NZ 3.12Å; N14-K17 PolarHBondContact O-N 3.41Å; K17-Q22 PolarHBondContact O-NE2 3.27Å
18	S	60.1	Low	68.4	Low	45 Å²	45	84.7 Å²	84.7	32%	0.315	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	9.9	174.5	76	0	0	0	0	114.9	N14 R15 I16 R102	N14-S18 VanDerWaalsContact O-CB 3.28Å; N14-S18 WeakPolarHBondContact O-CB 3.36Å; N14-S18 PolarHBondContact O-N 2.97Å; N14-S18 PolarHBondContact O-OG 3.39Å; N14-S18 VanDerWaalsContact O-OG 3.13Å; R15-S18 WeakPolarHBondContact CA-OG 3.26Å; R15-S18 PolarHBondContact O-OG 2.94Å; I16-S18 PolarHBondContact O-N 3.5Å; S18-R102 PolarHBondContact O-NH1 2.77Å; S18-R102 PolarHBondContact O-NH2 3.17Å; S18-R102 VanDerWaalsContact O-NH2 3.15Å
19	K	59.3	Low	68.1	Low	160 Å²	160	84 Å²	84	70%	0.696	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-25.3	172.3	-88.4	177.2	175.2	-169.3	0	113.6	R15 I16	R15-K19 WeakPolarHBondContact O-CG 3.08Å; R15-K19 PolarHBondContact O-N 2.6Å; I16-K19 WeakPolarHBondContact O-CB 3.49Å; I16-K19 PolarHBondContact O-N 2.94Å
20	G	55.2	Low	68.3	Low	42 Å²	42	81.7 Å²	81.7	43%	0.433	40%	0.395	S	S	.	.	S	Bend	trans	-73	152.3	175	0	0	0	0	0	112.6	Q22	G20-Q22 VanDerWaalsContact C-N 3.3Å; G20-Q22 PolarHBondContact O-N 2.84Å
21	L	55.3	Low	68.5	Low	108 Å²	108	75.5 Å²	75.5	57%	0.565	37%	0.37	S	S	*	.			trans	-74.1	82.7	173.8	-169.1	66.6	0	0	0	109.7	R102	L21-R102 HydrophobicContact CD1-CG 3.86Å
22	Q	61	Low	68.7	Low	45 Å²	45	79.8 Å²	79.8	21%	0.21	39%	0.386	C	S	.	.			trans	-64.5	142.5	179	-63.4	178.9	3	0	0	110.7	K17 G20 L24 Q34	K17-Q22 PolarHBondContact O-NE2 3.27Å; G20-Q22 VanDerWaalsContact C-N 3.3Å; G20-Q22 PolarHBondContact O-N 2.84Å; Q22-L24 PolarHBondContact O-N 2.64Å; Q22-Q34 PolarHBondContact O-NE2 3.28Å
23	K	57.9	Low	68.6	Low	193 Å²	193	80.8 Å²	80.8	84%	0.839	39%	0.388	S	S	*	.			trans	-52.1	127.1	-179.7	-70.9	-176.1	176.3	-177.9	0	110.6	R25	K23-R25 PolarHBondContact O-N 2.74Å
24	L	59.6	Low	68.8	Low	73 Å²	73	81.1 Å²	81.1	38%	0.382	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-62.5	-3.4	-172.9	-67.6	158.6	0	0	0	115.5	Q22 W26 Y27	Q22-L24 PolarHBondContact O-N 2.64Å; L24-W26 PolarHBondContact O-N 2.98Å; L24-Y27 PolarHBondContact O-N 2.75Å
25	R	69.1	Low	69.2	Low	175 Å²	175	78.4 Å²	78.4	66%	0.66	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-51.5	-23.7	179.6	-169.3	176.8	-173.8	-127.3	-5.3	114.2	K23 E38	K23-R25 PolarHBondContact O-N 2.74Å; R25-E38 IonicContact NH1-OE2 2.67Å
26	W	75.8	Confident	69.4	Low	44 Å²	44	77.2 Å²	77.2	17%	0.167	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-115.5	22.5	-176.9	-52.7	134.1	0	0	0	114	L24 C35 E38 F41	L24-W26 PolarHBondContact O-N 2.98Å; W26-C35 HydrophobicContact CB-CB 4.22Å; W26-C35 VanDerWaalsContact CB-O 3.29Å; W26-C35 WeakPolarHBondContact CB-O 3.41Å; W26-C35 WeakPolarHBondContact O-CA 3.49Å; W26-C35 VanDerWaalsContact O-CB 3.24Å; W26-C35 WeakPolarHBondContact O-CB 3.36Å; W26-C35 PolarHBondContact O-N 2.76Å; W26-E38 HydrophobicContact CH2-CB 3.5Å; W26-E38 HydrophobicContact CH2-CG 3.34Å; W26-E38 WeakPolarHBondContact CH2-OE2 3.49Å; W26-E38 HydrophobicContact CZ2-CB 3.39Å; W26-E38 HydrophobicContact CZ2-CG 3.81Å; W26-E38 HydrophobicContact CZ3-CB 4.15Å; W26-E38 HydrophobicContact CZ3-CG 3.84Å; W26-F41 HydrophobicContact CB-CB 4.27Å; W26-F41 HydrophobicContact CB-CD2 4.46Å; W26-F41 HydrophobicContact CD2-CB 4.34Å; W26-F41 HydrophobicContact CE3-CB 3.79Å; W26-F41 AromaticContact CE3-CD1 4Å; W26-F41 HydrophobicContact CE3-CD1 4Å; W26-F41 AromaticContact CE3-CG 3.92Å; W26-F41 HydrophobicContact CE3-CG 3.92Å; W26-F41 HydrophobicContact CZ3-CD1 4.35Å; W26-F41 WeakPolarHBondContact O-CD2 3.39Å
27	Y	77.6	Confident	69.9	Low	38 Å²	38	76.6 Å²	76.6	15%	0.149	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.7	174.8	-173.5	-102.8	0	0	0	111.9	L24 Q29 Q32 Q34	L24-Y27 PolarHBondContact O-N 2.75Å; Y27-Q29 HydrophobicContact CE1-CB 4.45Å; Y27-Q32 WeakPolarHBondContact OH-CA 3.45Å; Y27-Q34 HydrophobicContact CD2-CB 3.85Å; Y27-Q34 HydrophobicContact CD2-CG 4.35Å; Y27-Q34 HydrophobicContact CE2-CB 4.4Å
28	C	81.5	Confident	70.7	Confident	10 Å²	10	74.8 Å²	74.8	7%	0.068	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	110.9	171.9	-173.6	0	0	0	0	110.8	C31 Q32 K33 F41 H44 H50	C28-C31 HydrophobicContact CB-CB 4.38Å; C28-C31 PolarHBondContact O-N 2.79Å; C28-Q32 CarbonylContact O-C 3.58Å; C28-Q32 WeakPolarHBondContact O-CA 3.38Å; C28-Q32 PolarHBondContact O-N 3.15Å; C28-K33 PolarHBondContact N-O 2.95Å; C28-K33 PolarHBondContact O-N 3.04Å; C28-F41 HydrophobicContact CB-CE2 4.03Å; C28-H44 WeakPolarHBondContact CB-NE2 3.27Å; C28-H50 PolarHBondContact SG-CE1 2.92Å; C28-H50 PolarHBondContact SG-ND1 3Å; C28-H50 VanDerWaalsContact SG-ND1 3.41Å
29	Q	77	Confident	71.8	Confident	18 Å²	18	78.3 Å²	78.3	8%	0.084	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-62	-45.2	-180	-170.1	71.3	44.3	0	0	112.6	Y27 C31 Q32 F68	Y27-Q29 HydrophobicContact CE1-CB 4.45Å; Q29-C31 PolarHBondContact O-N 3.46Å; Q29-C31 VanDerWaalsContact O-N 3.1Å; Q29-Q32 PolarHBondContact O-N 3Å; Q29-Q32 VanDerWaalsContact O-N 3.07Å; Q29-F68 HydrophobicContact CG-CD1 4.38Å; Q29-F68 HydrophobicContact CG-CE1 4.07Å; Q29-F68 HydrophobicContact CG-CZ 4.19Å
30	M	78.4	Confident	73	Confident	59 Å²	59	72.3 Å²	72.3	29%	0.291	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25.5	-176.9	-58.3	-59.4	96.5	0	0	113.4	Q53 A57 F68	M30-Q53 PolarHBondContact O-NE2 3.27Å; M30-A57 HydrophobicContact SD-CB 4.41Å; M30-F68 HydrophobicContact CE-CD2 4.26Å; M30-F68 HydrophobicContact CE-CE2 3.38Å; M30-F68 HydrophobicContact CE-CZ 3.76Å; M30-F68 HydrophobicContact SD-CE2 4.25Å
31	C	77.6	Confident	74.3	Confident	24 Å²	24	72.7 Å²	72.7	16%	0.162	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-112.7	3.6	-177.9	-51	0	0	0	0	112.5	C28 Q29 K33 H44 H50 Q53	C28-C31 HydrophobicContact CB-CB 4.38Å; C28-C31 PolarHBondContact O-N 2.79Å; Q29-C31 PolarHBondContact O-N 3.46Å; Q29-C31 VanDerWaalsContact O-N 3.1Å; C31-K33 HydrophobicContact CB-CB 3.99Å; C31-K33 WeakPolarHBondContact O-CB 3.45Å; C31-K33 PolarHBondContact O-N 3.09Å; C31-H44 VanDerWaalsContact CB-NE2 3.3Å; C31-H44 WeakPolarHBondContact CB-NE2 3.48Å; C31-H44 PolarHBondContact SG-CE1 2.94Å; C31-H44 PolarHBondContact SG-NE2 3.13Å; C31-H50 PolarHBondContact SG-ND1 2.86Å; C31-Q53 PolarHBondContact SG-OE1 2.94Å
32	Q	77.3	Confident	75.8	Confident	116 Å²	116	72.9 Å²	72.9	54%	0.542	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	45	31.5	-169.4	-67.8	174.1	-26.3	0	0	114.2	Y27 C28 Q29	Y27-Q32 WeakPolarHBondContact OH-CA 3.45Å; C28-Q32 CarbonylContact O-C 3.58Å; C28-Q32 WeakPolarHBondContact O-CA 3.38Å; C28-Q32 PolarHBondContact O-N 3.15Å; Q29-Q32 PolarHBondContact O-N 3Å; Q29-Q32 VanDerWaalsContact O-N 3.07Å
33	K	74.4	Confident	77	Confident	95 Å²	95	74.6 Å²	74.6	41%	0.413	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111.9	-162.9	-167.9	-171.9	179.5	-170.2	0	112.4	C28 C31 C35 H44	C28-K33 PolarHBondContact N-O 2.95Å; C28-K33 PolarHBondContact O-N 3.04Å; C31-K33 HydrophobicContact CB-CB 3.99Å; C31-K33 WeakPolarHBondContact O-CB 3.45Å; C31-K33 PolarHBondContact O-N 3.09Å; K33-C35 PolarHBondContact O-N 2.84Å; K33-H44 WeakPolarHBondContact CD-NE2 3.44Å; K33-H44 PolarHBondContact NZ-ND1 2.9Å
34	Q	74.4	Confident	78.3	Confident	50 Å²	50	65.6 Å²	65.6	23%	0.234	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	106.4	167.8	-162.7	168.6	36.7	0	0	110.2	Q22 Y27	Q22-Q34 PolarHBondContact O-NE2 3.28Å; Y27-Q34 HydrophobicContact CD2-CB 3.85Å; Y27-Q34 HydrophobicContact CD2-CG 4.35Å; Y27-Q34 HydrophobicContact CE2-CB 4.4Å
35	C	77.5	Confident	79.5	Confident	12 Å²	12	64.1 Å²	64.1	8%	0.081	32%	0.315	C	S	.	.			trans	-82.2	157.2	164.4	-57.7	0	0	0	0	109.1	W26 K33 F41 H44	W26-C35 HydrophobicContact CB-CB 4.22Å; W26-C35 VanDerWaalsContact CB-O 3.29Å; W26-C35 WeakPolarHBondContact CB-O 3.41Å; W26-C35 WeakPolarHBondContact O-CA 3.49Å; W26-C35 VanDerWaalsContact O-CB 3.24Å; W26-C35 WeakPolarHBondContact O-CB 3.36Å; W26-C35 PolarHBondContact O-N 2.76Å; K33-C35 PolarHBondContact O-N 2.84Å; C35-F41 HydrophobicContact CB-CB 3.97Å; C35-F41 HydrophobicContact CB-CD2 4.19Å; C35-H44 VanDerWaalsContact SG-CD2 3.58Å
36	R	74.1	Confident	80.3	Confident	88 Å²	88	63.4 Å²	63.4	33%	0.332	32%	0.321	S	S	.	.			trans	-99.4	-38.4	-167.9	-177.4	152.4	142.2	-163.2	-20	113.7	N14	N14-R36 PolarHBondContact OD1-NH1 2.85Å; N14-R36 PolarHBondContact OD1-NH2 2.97Å
37	D	79.9	Confident	81	Confident	98 Å²	98	62.6 Å²	62.6	52%	0.524	32%	0.322	S	S	.	.	S	Bend	trans	-135.5	159.5	-173.8	-45.1	-72.4	0	0	0	109.1	N39 G40 F41	D37-N39 VanDerWaalsContact C-N 3.27Å; D37-N39 PolarHBondContact O-N 2.9Å; D37-G40 WeakPolarHBondContact O-CA 3.37Å; D37-G40 PolarHBondContact O-N 2.81Å; D37-F41 PolarHBondContact O-N 3.16Å
38	E	81.8	Confident	81.4	Confident	78 Å²	78	68.5 Å²	68.5	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-52.7	-44.1	-177.4	-173.1	164.9	135.7	0	0	112.8	R25 W26 G40 F41 K42	R25-E38 IonicContact NH1-OE2 2.67Å; W26-E38 HydrophobicContact CH2-CB 3.5Å; W26-E38 HydrophobicContact CH2-CG 3.34Å; W26-E38 WeakPolarHBondContact CH2-OE2 3.49Å; W26-E38 HydrophobicContact CZ2-CB 3.39Å; W26-E38 HydrophobicContact CZ2-CG 3.81Å; W26-E38 HydrophobicContact CZ3-CB 4.15Å; W26-E38 HydrophobicContact CZ3-CG 3.84Å; E38-G40 VanDerWaalsContact C-N 3.32Å; E38-G40 PolarHBondContact O-N 2.76Å; E38-F41 PolarHBondContact O-N 3.35Å; E38-K42 HydrophobicContact CG-CD 4.16Å; E38-K42 WeakPolarHBondContact O-CG 3.31Å; E38-K42 PolarHBondContact O-N 3.3Å; E38-K42 WeakPolarHBondContact OE1-CE 3.38Å; E38-K42 IonicContact OE1-NZ 2.79Å; E38-K42 PolarHBondContact OE1-NZ 2.92Å
39	N	83.4	Confident	81.6	Confident	118 Å²	118	71.3 Å²	71.3	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-67.9	-33.3	179.1	-161.6	43.2	0	0	0	112.1	D37 F41 K42 C43	D37-N39 VanDerWaalsContact C-N 3.27Å; D37-N39 PolarHBondContact O-N 2.9Å; N39-F41 VanDerWaalsContact C-N 3.34Å; N39-K42 PolarHBondContact O-N 3.1Å; N39-C43 WeakPolarHBondContact O-CB 3.37Å; N39-C43 PolarHBondContact O-N 2.7Å; N39-C43 PolarHBondContact O-SG 2.88Å
40	G	84	Confident	82	Confident	34 Å²	34	71.5 Å²	71.5	35%	0.351	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-34.5	174.2	0	0	0	0	0	112.7	D37 E38 H44	D37-G40 WeakPolarHBondContact O-CA 3.37Å; D37-G40 PolarHBondContact O-N 2.81Å; E38-G40 VanDerWaalsContact C-N 3.32Å; E38-G40 PolarHBondContact O-N 2.76Å; G40-H44 WeakPolarHBondContact O-CB 3.47Å; G40-H44 PolarHBondContact O-N 2.9Å
41	F	83.7	Confident	82.4	Confident	51 Å²	51	74.9 Å²	74.9	22%	0.224	39%	0.387	C	S	.	.	H	α-helix	trans	-71.2	-45.8	172.7	-171.8	-103.7	0	0	0	111.4	W26 C28 C35 D37 E38 N39 C43 H44 C45	W26-F41 HydrophobicContact CB-CB 4.27Å; W26-F41 HydrophobicContact CB-CD2 4.46Å; W26-F41 HydrophobicContact CD2-CB 4.34Å; W26-F41 HydrophobicContact CE3-CB 3.79Å; W26-F41 AromaticContact CE3-CD1 4Å; W26-F41 HydrophobicContact CE3-CD1 4Å; W26-F41 AromaticContact CE3-CG 3.92Å; W26-F41 HydrophobicContact CE3-CG 3.92Å; W26-F41 HydrophobicContact CZ3-CD1 4.35Å; W26-F41 WeakPolarHBondContact O-CD2 3.39Å; C28-F41 HydrophobicContact CB-CE2 4.03Å; C35-F41 HydrophobicContact CB-CB 3.97Å; C35-F41 HydrophobicContact CB-CD2 4.19Å; D37-F41 PolarHBondContact O-N 3.16Å; E38-F41 PolarHBondContact O-N 3.35Å; N39-F41 VanDerWaalsContact C-N 3.34Å; F41-C43 PolarHBondContact O-N 2.71Å; F41-H44 CarbonylContact O-C 3.59Å; F41-H44 WeakPolarHBondContact O-CA 3.3Å; F41-H44 WeakPolarHBondContact O-CB 3.31Å; F41-H44 PolarHBondContact O-N 2.94Å; F41-C45 PolarHBondContact O-N 2.77Å; F41-C45 PolarHBondContact O-SG 2.8Å; F41-C45 VanDerWaalsContact O-SG 3.39Å
42	K	85.3	Confident	82.8	Confident	112 Å²	112	82 Å²	82	49%	0.487	41%	0.41	S	S	.	.	H	α-helix	trans	-56.8	-50.2	174.9	-75.5	171	170.3	170.1	0	112.2	E38 N39 H44 C45 M46	E38-K42 HydrophobicContact CG-CD 4.16Å; E38-K42 WeakPolarHBondContact O-CG 3.31Å; E38-K42 PolarHBondContact O-N 3.3Å; E38-K42 WeakPolarHBondContact OE1-CE 3.38Å; E38-K42 IonicContact OE1-NZ 2.79Å; E38-K42 PolarHBondContact OE1-NZ 2.92Å; N39-K42 PolarHBondContact O-N 3.1Å; K42-H44 PolarHBondContact O-N 3.27Å; K42-C45 PolarHBondContact O-N 2.83Å; K42-M46 WeakPolarHBondContact O-CG 3.32Å; K42-M46 PolarHBondContact O-N 3.35Å
43	C	86.4	Confident	83	Confident	80 Å²	80	80.4 Å²	80.4	54%	0.541	40%	0.403	S	S	.	.	H	α-helix	trans	-64.4	-19	174.9	-67.8	0	0	0	0	113.8	N39 F41	N39-C43 WeakPolarHBondContact O-CB 3.37Å; N39-C43 PolarHBondContact O-N 2.7Å; N39-C43 PolarHBondContact O-SG 2.88Å; F41-C43 PolarHBondContact O-N 2.71Å
44	H	86.4	Confident	83.4	Confident	4 Å²	4	80.1 Å²	80.1	2%	0.019	41%	0.405	C	S	.	.	H	α-helix	trans	-82.7	-43.8	172.2	177.4	34	0	0	0	112.4	C28 C31 K33 C35 G40 F41 K42 M46 S47 H50	C28-H44 WeakPolarHBondContact CB-NE2 3.27Å; C31-H44 VanDerWaalsContact CB-NE2 3.3Å; C31-H44 WeakPolarHBondContact CB-NE2 3.48Å; C31-H44 PolarHBondContact SG-CE1 2.94Å; C31-H44 PolarHBondContact SG-NE2 3.13Å; K33-H44 WeakPolarHBondContact CD-NE2 3.44Å; K33-H44 PolarHBondContact NZ-ND1 2.9Å; C35-H44 VanDerWaalsContact SG-CD2 3.58Å; G40-H44 WeakPolarHBondContact O-CB 3.47Å; G40-H44 PolarHBondContact O-N 2.9Å; F41-H44 CarbonylContact O-C 3.59Å; F41-H44 WeakPolarHBondContact O-CA 3.3Å; F41-H44 WeakPolarHBondContact O-CB 3.31Å; F41-H44 PolarHBondContact O-N 2.94Å; K42-H44 PolarHBondContact O-N 3.27Å; H44-M46 PolarHBondContact O-N 3.31Å; H44-S47 PolarHBondContact ND1-OG 2.76Å; H44-S47 WeakPolarHBondContact O-CB 3.29Å; H44-S47 PolarHBondContact O-N 3.24Å; H44-S47 PolarHBondContact O-OG 3.48Å; H44-H50 WeakPolarHBondContact O-CB 3.12Å
45	C	84.4	Confident	83.9	Confident	43 Å²	43	82.7 Å²	82.7	29%	0.291	42%	0.42	S	S	.	.	H	α-helix	trans	-62.1	-34.5	175	-59.6	0	0	0	0	111.6	F41 K42 S47 H50	F41-C45 PolarHBondContact O-N 2.77Å; F41-C45 PolarHBondContact O-SG 2.8Å; F41-C45 VanDerWaalsContact O-SG 3.39Å; K42-C45 PolarHBondContact O-N 2.83Å; C45-S47 PolarHBondContact O-N 2.94Å; C45-H50 PolarHBondContact O-CD2 2.93Å; C45-H50 VanDerWaalsContact O-CD2 3.29Å
46	M	85.1	Confident	84.1	Confident	159 Å²	159	85.6 Å²	85.6	78%	0.783	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	5.5	173.1	-60.9	-60	-64.9	0	0	114.5	K42 H44	K42-M46 WeakPolarHBondContact O-CG 3.32Å; K42-M46 PolarHBondContact O-N 3.35Å; H44-M46 PolarHBondContact O-N 3.31Å
47	S	89.8	Confident	84.3	Confident	27 Å²	27	82 Å²	82	19%	0.189	42%	0.423	C	S	.	.	S	Bend	trans	-91.8	137.7	179.7	68.4	0	0	0	0	112	H44 C45 S49 H50 Q51	H44-S47 PolarHBondContact ND1-OG 2.76Å; H44-S47 WeakPolarHBondContact O-CB 3.29Å; H44-S47 PolarHBondContact O-N 3.24Å; H44-S47 PolarHBondContact O-OG 3.48Å; C45-S47 PolarHBondContact O-N 2.94Å; S47-S49 PolarHBondContact O-N 3.42Å; S47-S49 VanDerWaalsContact O-N 3.1Å; S47-H50 WeakPolarHBondContact O-CB 3.31Å; S47-H50 PolarHBondContact O-N 3.02Å; S47-Q51 PolarHBondContact O-N 3.31Å
48	E	87.8	Confident	84.2	Confident	162 Å²	162	81 Å²	81	76%	0.757	42%	0.424	S	S	*	.	H	α-helix	trans	-50.7	-37.2	-179.7	-170.9	-165.7	159.8	0	0	113	Q51 R52	E48-Q51 PolarHBondContact O-N 2.89Å; E48-R52 VanDerWaalsContact O-CB 3.25Å; E48-R52 WeakPolarHBondContact O-CB 3.29Å; E48-R52 PolarHBondContact O-N 3.46Å
49	S	84.2	Confident	84.3	Confident	70 Å²	70	82.9 Å²	82.9	49%	0.49	43%	0.433	S	S	.	.	H	α-helix	trans	-65.3	-39.3	177.8	54.2	0	0	0	0	113.2	S47 Q53	S47-S49 PolarHBondContact O-N 3.42Å; S47-S49 VanDerWaalsContact O-N 3.1Å; S49-Q53 WeakPolarHBondContact O-CG 3.25Å; S49-Q53 PolarHBondContact O-N 2.87Å; S49-Q53 VanDerWaalsContact O-N 3.15Å
50	H	87.2	Confident	84	Confident	22 Å²	22	80 Å²	80	10%	0.102	42%	0.417	C	S	.	.	H	α-helix	trans	-67	-47.3	171.7	176.4	80.4	0	0	0	111	C28 C31 H44 C45 S47 R52 Q53 L54	C28-H50 PolarHBondContact SG-CE1 2.92Å; C28-H50 PolarHBondContact SG-ND1 3Å; C28-H50 VanDerWaalsContact SG-ND1 3.41Å; C31-H50 PolarHBondContact SG-ND1 2.86Å; H44-H50 WeakPolarHBondContact O-CB 3.12Å; C45-H50 PolarHBondContact O-CD2 2.93Å; C45-H50 VanDerWaalsContact O-CD2 3.29Å; S47-H50 WeakPolarHBondContact O-CB 3.31Å; S47-H50 PolarHBondContact O-N 3.02Å; H50-R52 VanDerWaalsContact C-N 3.3Å; H50-R52 PolarHBondContact O-N 3.37Å; H50-Q53 PolarHBondContact O-N 2.84Å; H50-Q53 VanDerWaalsContact O-N 3.14Å; H50-L54 WeakPolarHBondContact O-CB 3.39Å; H50-L54 PolarHBondContact O-N 3.43Å
51	Q	85.1	Confident	83.9	Confident	130 Å²	130	82 Å²	82	61%	0.607	42%	0.424	S	S	*	.	H	α-helix	trans	-63.4	-35.8	-177.7	-166	171.7	3.7	0	0	112.2	S47 E48 L54 L55	S47-Q51 PolarHBondContact O-N 3.31Å; E48-Q51 PolarHBondContact O-N 2.89Å; Q51-L54 PolarHBondContact O-N 3.36Å; Q51-L55 PolarHBondContact O-N 2.97Å
52	R	87.3	Confident	83.8	Confident	174 Å²	174	84 Å²	84	66%	0.657	44%	0.441	S	S	*	.	H	α-helix	trans	-68.1	-41.3	172.4	-176.6	177.5	175.9	-170.6	-2	112.6	E48 H50 L54 L55 L56	E48-R52 VanDerWaalsContact O-CB 3.25Å; E48-R52 WeakPolarHBondContact O-CB 3.29Å; E48-R52 PolarHBondContact O-N 3.46Å; H50-R52 VanDerWaalsContact C-N 3.3Å; H50-R52 PolarHBondContact O-N 3.37Å; R52-L54 VanDerWaalsContact C-N 3.33Å; R52-L55 PolarHBondContact O-N 3.08Å; R52-L56 HydrophobicContact CG-CD1 4.41Å; R52-L56 WeakPolarHBondContact O-CG 3.48Å; R52-L56 PolarHBondContact O-N 3Å
53	Q	80.8	Confident	83.8	Confident	81 Å²	81	85 Å²	85	38%	0.379	45%	0.445	S	S	.	.	H	α-helix	trans	-66.4	-36.7	174.4	-74.3	179.8	-60.2	0	0	111.7	M30 C31 S49 H50 L56 A57	M30-Q53 PolarHBondContact O-NE2 3.27Å; C31-Q53 PolarHBondContact SG-OE1 2.94Å; S49-Q53 WeakPolarHBondContact O-CG 3.25Å; S49-Q53 PolarHBondContact O-N 2.87Å; S49-Q53 VanDerWaalsContact O-N 3.15Å; H50-Q53 PolarHBondContact O-N 2.84Å; H50-Q53 VanDerWaalsContact O-N 3.14Å; Q53-L56 PolarHBondContact O-N 3.45Å; Q53-A57 WeakPolarHBondContact O-CB 3.34Å; Q53-A57 PolarHBondContact O-N 2.89Å
54	L	82.6	Confident	83.6	Confident	90 Å²	90	84.8 Å²	84.8	47%	0.471	44%	0.435	S	S	.	.	H	α-helix	trans	-65.1	-39.9	173.5	-173.7	66.2	0	0	0	112.2	H50 Q51 R52 A57 S58	H50-L54 WeakPolarHBondContact O-CB 3.39Å; H50-L54 PolarHBondContact O-N 3.43Å; Q51-L54 PolarHBondContact O-N 3.36Å; R52-L54 VanDerWaalsContact C-N 3.33Å; L54-A57 PolarHBondContact O-N 3.41Å; L54-S58 WeakPolarHBondContact O-CB 3.29Å; L54-S58 PolarHBondContact O-N 2.85Å
55	L	84.8	Confident	83.5	Confident	103 Å²	103	89.2 Å²	89.2	54%	0.539	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-50.3	174.9	-172.6	67.2	0	0	0	111.1	Q51 R52 A57 S58 E59	Q51-L55 PolarHBondContact O-N 2.97Å; R52-L55 PolarHBondContact O-N 3.08Å; L55-A57 VanDerWaalsContact C-N 3.27Å; L55-A57 PolarHBondContact O-N 2.87Å; L55-S58 WeakPolarHBondContact O-CA 3.48Å; L55-S58 WeakPolarHBondContact O-CB 3.41Å; L55-S58 PolarHBondContact O-N 2.9Å; L55-S58 PolarHBondContact O-OG 3.09Å; L55-E59 PolarHBondContact O-N 3.34Å; L55-E59 VanDerWaalsContact O-N 3.1Å
56	L	82.3	Confident	83.7	Confident	73 Å²	73	91.3 Å²	91.3	38%	0.382	47%	0.465	S	S	.	.	H	α-helix	trans	-58.6	-38.1	176	-69.1	168.2	0	0	0	112.3	R52 Q53 E59 F64	R52-L56 HydrophobicContact CG-CD1 4.41Å; R52-L56 WeakPolarHBondContact O-CG 3.48Å; R52-L56 PolarHBondContact O-N 3Å; Q53-L56 PolarHBondContact O-N 3.45Å; L56-E59 PolarHBondContact O-N 3.26Å; L56-F64 HydrophobicContact CB-CZ 4.41Å; L56-F64 WeakPolarHBondContact O-CE2 3.32Å
57	A	77.6	Confident	83.9	Confident	12 Å²	12	89.3 Å²	89.3	10%	0.099	45%	0.45	C	S	.	.	H	α-helix	trans	-65.5	-39.2	173.2	0	0	0	0	0	112.4	M30 Q53 L54 L55 E59 N60 P61 F64	M30-A57 HydrophobicContact SD-CB 4.41Å; Q53-A57 WeakPolarHBondContact O-CB 3.34Å; Q53-A57 PolarHBondContact O-N 2.89Å; L54-A57 PolarHBondContact O-N 3.41Å; L55-A57 VanDerWaalsContact C-N 3.27Å; L55-A57 PolarHBondContact O-N 2.87Å; A57-E59 VanDerWaalsContact C-N 3.31Å; A57-E59 PolarHBondContact O-N 2.98Å; A57-N60 CarbonylContact O-C 3.59Å; A57-N60 PolarHBondContact O-N 2.97Å; A57-P61 VanDerWaalsContact O-CA 3.25Å; A57-P61 WeakPolarHBondContact O-CA 3.15Å; A57-P61 WeakPolarHBondContact O-CD 3.34Å; A57-P61 VanDerWaalsContact O-N 3.09Å; A57-F64 HydrophobicContact CB-CD2 4.22Å; A57-F64 HydrophobicContact CB-CE2 4.38Å; A57-F64 HydrophobicContact CB-CG 4.37Å
58	S	78.1	Confident	83.8	Confident	79 Å²	79	88.7 Å²	88.7	55%	0.552	44%	0.444	S	S	*	.	H	α-helix	trans	-67.5	-27.1	177.8	76.6	0	0	0	0	113.9	L54 L55	L54-S58 WeakPolarHBondContact O-CB 3.29Å; L54-S58 PolarHBondContact O-N 2.85Å; L55-S58 WeakPolarHBondContact O-CA 3.48Å; L55-S58 WeakPolarHBondContact O-CB 3.41Å; L55-S58 PolarHBondContact O-N 2.9Å; L55-S58 PolarHBondContact O-OG 3.09Å
59	E	83.3	Confident	83.9	Confident	117 Å²	117	81 Å²	81	55%	0.547	41%	0.408	S	S	.	.	H	α-helix	trans	-71.5	-29.9	176.4	-68.5	171.1	-161.8	0	0	113.1	L55 L56 A57	L55-E59 PolarHBondContact O-N 3.34Å; L55-E59 VanDerWaalsContact O-N 3.1Å; L56-E59 PolarHBondContact O-N 3.26Å; A57-E59 VanDerWaalsContact C-N 3.31Å; A57-E59 PolarHBondContact O-N 2.98Å
60	N	78.8	Confident	84.2	Confident	56 Å²	56	81.7 Å²	81.7	30%	0.299	41%	0.406	S	S	.	.	S	Bend	trans	-146	55.8	-174	-67.9	-105.2	0	0	0	112.5	A57 T62 K63 F64	A57-N60 CarbonylContact O-C 3.59Å; A57-N60 PolarHBondContact O-N 2.97Å; N60-T62 VanDerWaalsContact C-N 3.27Å; N60-T62 PolarHBondContact O-N 2.81Å; N60-T62 VanDerWaalsContact O-N 3.13Å; N60-K63 HydrophobicContact CB-CB 4.33Å; N60-K63 HydrophobicContact CB-CD 4.03Å; N60-K63 HydrophobicContact CB-CG 4.3Å; N60-K63 PolarHBondContact O-N 2.68Å; N60-K63 VanDerWaalsContact O-N 3.07Å; N60-K63 WeakPolarHBondContact OD1-CE 3.45Å; N60-K63 PolarHBondContact OD1-NZ 3.46Å; N60-F64 WeakPolarHBondContact O-CD2 3.38Å
61	P	80.3	Confident	84.3	Confident	77 Å²	77	83.7 Å²	83.7	50%	0.5	42%	0.416	S	S	.	.	H	α-helix	trans	-59.9	-33.1	-167.6	22.2	-34.1	0	0	0	114.1	A57 F64 M65	A57-P61 VanDerWaalsContact O-CA 3.25Å; A57-P61 WeakPolarHBondContact O-CA 3.15Å; A57-P61 WeakPolarHBondContact O-CD 3.34Å; A57-P61 VanDerWaalsContact O-N 3.09Å; P61-F64 PolarHBondContact O-N 3.24Å; P61-M65 PolarHBondContact O-N 3.21Å; P61-M65 VanDerWaalsContact O-N 3.09Å
62	T	83.2	Confident	84.6	Confident	93 Å²	93	77.5 Å²	77.5	57%	0.571	39%	0.387	S	S	*	.	H	α-helix	trans	-59.7	-47	175.6	49.6	0	0	0	0	112.3	N60 F64 M65 D66	N60-T62 VanDerWaalsContact C-N 3.27Å; N60-T62 PolarHBondContact O-N 2.81Å; N60-T62 VanDerWaalsContact O-N 3.13Å; T62-F64 VanDerWaalsContact C-N 3.26Å; T62-F64 PolarHBondContact O-N 2.66Å; T62-M65 CarbonylContact O-C 3.6Å; T62-M65 WeakPolarHBondContact O-CA 3.47Å; T62-M65 WeakPolarHBondContact O-CB 3.48Å; T62-M65 PolarHBondContact O-N 2.61Å; T62-M65 VanDerWaalsContact O-N 3.09Å; T62-D66 VanDerWaalsContact O-CG 3.27Å; T62-D66 PolarHBondContact O-N 2.97Å
63	K	84.7	Confident	84.8	Confident	132 Å²	132	71.3 Å²	71.3	57%	0.574	37%	0.365	S	S	*	.	H	α-helix	trans	-62.7	-32.8	-178.6	-64.5	-177.3	-176.4	159.3	0	113	N60 Y67	N60-K63 HydrophobicContact CB-CB 4.33Å; N60-K63 HydrophobicContact CB-CD 4.03Å; N60-K63 HydrophobicContact CB-CG 4.3Å; N60-K63 PolarHBondContact O-N 2.68Å; N60-K63 VanDerWaalsContact O-N 3.07Å; N60-K63 WeakPolarHBondContact OD1-CE 3.45Å; N60-K63 PolarHBondContact OD1-NZ 3.46Å; K63-Y67 WeakPolarHBondContact O-CB 3.42Å; K63-Y67 PolarHBondContact O-N 2.93Å
64	F	82.5	Confident	85.2	Confident	76 Å²	76	70.4 Å²	70.4	33%	0.333	37%	0.367	S	S	.	.	H	α-helix	trans	-73.3	-41.1	174.6	-75.4	-88.7	0	0	0	111.3	L56 A57 N60 P61 T62 D66 Y67 F68	L56-F64 HydrophobicContact CB-CZ 4.41Å; L56-F64 WeakPolarHBondContact O-CE2 3.32Å; A57-F64 HydrophobicContact CB-CD2 4.22Å; A57-F64 HydrophobicContact CB-CE2 4.38Å; A57-F64 HydrophobicContact CB-CG 4.37Å; N60-F64 WeakPolarHBondContact O-CD2 3.38Å; P61-F64 PolarHBondContact O-N 3.24Å; T62-F64 VanDerWaalsContact C-N 3.26Å; T62-F64 PolarHBondContact O-N 2.66Å; F64-D66 VanDerWaalsContact C-N 3.35Å; F64-D66 PolarHBondContact O-N 3.34Å; F64-Y67 PolarHBondContact O-N 2.82Å; F64-F68 HydrophobicContact CB-CE2 4.25Å; F64-F68 HydrophobicContact CD1-CE2 4.42Å; F64-F68 WeakPolarHBondContact O-CD2 3.39Å; F64-F68 WeakPolarHBondContact O-CG 3.21Å; F64-F68 PolarHBondContact O-N 3.37Å
65	M	84.3	Confident	85.6	Confident	97 Å²	97	69 Å²	69	48%	0.478	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-42	170.5	-85.2	-176.8	155	0	0	112.5	P61 T62 S69	P61-M65 PolarHBondContact O-N 3.21Å; P61-M65 VanDerWaalsContact O-N 3.09Å; T62-M65 CarbonylContact O-C 3.6Å; T62-M65 WeakPolarHBondContact O-CA 3.47Å; T62-M65 WeakPolarHBondContact O-CB 3.48Å; T62-M65 PolarHBondContact O-N 2.61Å; T62-M65 VanDerWaalsContact O-N 3.09Å; M65-S69 WeakPolarHBondContact O-CB 3.33Å; M65-S69 PolarHBondContact O-N 2.83Å; M65-S69 PolarHBondContact O-OG 3.47Å
66	D	88.8	Confident	85.8	Confident	87 Å²	87	64 Å²	64	47%	0.465	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-49.8	176.2	-67.2	-37.7	0	0	0	110.4	T62 F64 S69 D70	T62-D66 VanDerWaalsContact O-CG 3.27Å; T62-D66 PolarHBondContact O-N 2.97Å; F64-D66 VanDerWaalsContact C-N 3.35Å; F64-D66 PolarHBondContact O-N 3.34Å; D66-S69 WeakPolarHBondContact O-CB 3.48Å; D66-S69 PolarHBondContact O-N 3.26Å; D66-D70 PolarHBondContact O-N 3.43Å
67	Y	88.4	Confident	86.2	Confident	118 Å²	118	61.8 Å²	61.8	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-56.9	-53.2	177.1	179.9	-86.8	0	0	0	112.4	K63 F64 S69 D70 E71	K63-Y67 WeakPolarHBondContact O-CB 3.42Å; K63-Y67 PolarHBondContact O-N 2.93Å; F64-Y67 PolarHBondContact O-N 2.82Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 2.8Å; Y67-D70 PolarHBondContact O-N 3.32Å; Y67-E71 HydrophobicContact CD1-CG 4.25Å; Y67-E71 HydrophobicContact CE1-CG 3.71Å; Y67-E71 WeakPolarHBondContact CE1-OE2 3.49Å; Y67-E71 HydrophobicContact CE2-CG 4.41Å; Y67-E71 VanDerWaalsContact CZ-CD 3.44Å; Y67-E71 VanDerWaalsContact CZ-OE2 3.27Å; Y67-E71 PolarHBondContact O-N 2.83Å; Y67-E71 PolarHBondContact OH-OE1 3.44Å; Y67-E71 PolarHBondContact OH-OE2 2.85Å
68	F	88.2	Confident	86.7	Confident	13 Å²	13	65.9 Å²	65.9	6%	0.057	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-32.6	178.7	-69.3	-52.9	0	0	0	112.5	Q29 M30 F64 F72 V105 S109	Q29-F68 HydrophobicContact CG-CD1 4.38Å; Q29-F68 HydrophobicContact CG-CE1 4.07Å; Q29-F68 HydrophobicContact CG-CZ 4.19Å; M30-F68 HydrophobicContact CE-CD2 4.26Å; M30-F68 HydrophobicContact CE-CE2 3.38Å; M30-F68 HydrophobicContact CE-CZ 3.76Å; M30-F68 HydrophobicContact SD-CE2 4.25Å; F64-F68 HydrophobicContact CB-CE2 4.25Å; F64-F68 HydrophobicContact CD1-CE2 4.42Å; F64-F68 WeakPolarHBondContact O-CD2 3.39Å; F64-F68 WeakPolarHBondContact O-CG 3.21Å; F64-F68 PolarHBondContact O-N 3.37Å; F68-F72 WeakPolarHBondContact O-CB 3.49Å; F68-F72 PolarHBondContact O-N 3.39Å; F68-V105 HydrophobicContact CB-CG1 3.99Å; F68-V105 HydrophobicContact CD1-CG1 4.35Å; F68-V105 HydrophobicContact CD1-CG2 4.44Å; F68-V105 HydrophobicContact CG-CG1 4.49Å; F68-S109 WeakPolarHBondContact CB-O 3.29Å
69	S	90.6	Very high	87.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.9	-41	174.6	-60.4	0	0	0	0	112.1	M65 D66 Y67 K73 Q111 W112	M65-S69 WeakPolarHBondContact O-CB 3.33Å; M65-S69 PolarHBondContact O-N 2.83Å; M65-S69 PolarHBondContact O-OG 3.47Å; D66-S69 WeakPolarHBondContact O-CB 3.48Å; D66-S69 PolarHBondContact O-N 3.26Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 2.8Å; S69-K73 WeakPolarHBondContact O-CB 3.42Å; S69-K73 PolarHBondContact O-N 3.16Å; S69-Q111 VanDerWaalsContact CB-NE2 3.28Å; S69-Q111 PolarHBondContact OG-N 3.5Å; S69-Q111 PolarHBondContact OG-NE2 2.86Å; S69-W112 WeakPolarHBondContact O-CZ3 3.34Å
70	D	90	Very high	87.5	Confident	85 Å²	85	56.7 Å²	56.7	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-74.5	-34.5	179.7	-97.3	-19.1	0	0	0	112.9	D66 Y67 K73 S74	D66-D70 PolarHBondContact O-N 3.43Å; Y67-D70 PolarHBondContact O-N 3.32Å; D70-K73 WeakPolarHBondContact OD1-CE 3.45Å; D70-K73 IonicContact OD1-NZ 2.71Å; D70-K73 PolarHBondContact OD1-NZ 3.41Å; D70-S74 VanDerWaalsContact O-CB 3.25Å; D70-S74 WeakPolarHBondContact O-CB 3.45Å; D70-S74 PolarHBondContact O-N 2.85Å; D70-S74 PolarHBondContact O-OG 3.15Å
71	E	89.9	Confident	87.9	Confident	64 Å²	64	59.1 Å²	59.1	30%	0.299	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-54.3	169.5	-65.4	-135.3	107	0	0	110.9	Y67 K73 S74 D75 V105	Y67-E71 HydrophobicContact CD1-CG 4.25Å; Y67-E71 HydrophobicContact CE1-CG 3.71Å; Y67-E71 WeakPolarHBondContact CE1-OE2 3.49Å; Y67-E71 HydrophobicContact CE2-CG 4.41Å; Y67-E71 VanDerWaalsContact CZ-CD 3.44Å; Y67-E71 VanDerWaalsContact CZ-OE2 3.27Å; Y67-E71 PolarHBondContact O-N 2.83Å; Y67-E71 PolarHBondContact OH-OE1 3.44Å; Y67-E71 PolarHBondContact OH-OE2 2.85Å; E71-K73 VanDerWaalsContact C-N 3.3Å; E71-K73 PolarHBondContact O-N 3.03Å; E71-S74 PolarHBondContact O-N 2.86Å; E71-D75 PolarHBondContact O-N 2.94Å; E71-V105 HydrophobicContact CB-CG2 4.23Å
72	F	90.5	Very high	88.1	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-52	-47.9	177.3	173.7	-98.1	0	0	0	112.3	F68 S74 F76 Y95 Y98 V105 M107 T110 W112 F118	F68-F72 WeakPolarHBondContact O-CB 3.49Å; F68-F72 PolarHBondContact O-N 3.39Å; F72-S74 PolarHBondContact O-N 3.43Å; F72-F76 HydrophobicContact CZ-CD2 4.22Å; F72-F76 WeakPolarHBondContact O-CB 3.39Å; F72-F76 PolarHBondContact O-N 3.31Å; F72-Y95 HydrophobicContact CE2-CD2 4.42Å; F72-Y95 HydrophobicContact CE2-CE2 4.01Å; F72-Y95 HydrophobicContact CZ-CD2 4.37Å; F72-Y95 HydrophobicContact CZ-CE2 4.22Å; F72-Y98 HydrophobicContact CD2-CD1 4.24Å; F72-Y98 AromaticContact CD2-CE1 3.38Å; F72-Y98 HydrophobicContact CD2-CE1 3.38Å; F72-Y98 AromaticContact CD2-CZ 3.77Å; F72-Y98 AromaticContact CE2-CD1 3.74Å; F72-Y98 HydrophobicContact CE2-CD1 3.74Å; F72-Y98 AromaticContact CE2-CE1 3.34Å; F72-Y98 HydrophobicContact CE2-CE1 3.34Å; F72-V105 HydrophobicContact CB-CB 4.09Å; F72-V105 HydrophobicContact CB-CG1 4.22Å; F72-V105 HydrophobicContact CD2-CB 4.48Å; F72-M107 HydrophobicContact CE1-CE 3.93Å; F72-M107 HydrophobicContact CE1-SD 4.14Å; F72-M107 HydrophobicContact CE2-CE 4.12Å; F72-M107 HydrophobicContact CZ-CE 3.35Å; F72-M107 HydrophobicContact CZ-SD 4.03Å; F72-T110 HydrophobicContact CB-CG2 3.66Å; F72-T110 HydrophobicContact CD1-CG2 4.07Å; F72-T110 HydrophobicContact CD2-CG2 4.38Å; F72-T110 HydrophobicContact CG-CG2 3.77Å; F72-W112 AromaticContact CD1-CE3 3.95Å; F72-W112 HydrophobicContact CD1-CE3 3.95Å; F72-W112 AromaticContact CD1-CZ3 3.76Å; F72-W112 HydrophobicContact CD1-CZ3 3.76Å; F72-W112 HydrophobicContact CE1-CE3 4.26Å; F72-W112 HydrophobicContact CE1-CZ3 4.42Å; F72-F118 HydrophobicContact CD1-CD2 4.48Å; F72-F118 HydrophobicContact CD1-CE1 4.48Å; F72-F118 HydrophobicContact CD1-CE2 4.07Å; F72-F118 HydrophobicContact CD1-CZ 4.06Å; F72-F118 AromaticContact CE1-CD1 3.73Å; F72-F118 HydrophobicContact CE1-CD1 3.73Å; F72-F118 AromaticContact CE1-CD2 3.93Å; F72-F118 HydrophobicContact CE1-CD2 3.93Å; F72-F118 AromaticContact CE1-CE1 3.51Å; F72-F118 HydrophobicContact CE1-CE1 3.51Å; F72-F118 AromaticContact CE1-CE2 3.74Å; F72-F118 HydrophobicContact CE1-CE2 3.74Å; F72-F118 AromaticContact CE1-CG 3.92Å; F72-F118 HydrophobicContact CE1-CG 3.92Å; F72-F118 AromaticContact CE1-CZ 3.51Å; F72-F118 HydrophobicContact CE1-CZ 3.51Å; F72-F118 HydrophobicContact CZ-CD1 4.21Å; F72-F118 HydrophobicContact CZ-CE1 4.04Å; F72-F118 HydrophobicContact CZ-CZ 4.41Å
73	K	90.6	Very high	88.2	Confident	44 Å²	44	64 Å²	64	19%	0.191	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-45.5	175.1	159.9	178.8	143.9	-82.5	0	112	S69 D70 E71 L77 W112 W121	S69-K73 WeakPolarHBondContact O-CB 3.42Å; S69-K73 PolarHBondContact O-N 3.16Å; D70-K73 WeakPolarHBondContact OD1-CE 3.45Å; D70-K73 IonicContact OD1-NZ 2.71Å; D70-K73 PolarHBondContact OD1-NZ 3.41Å; E71-K73 VanDerWaalsContact C-N 3.3Å; E71-K73 PolarHBondContact O-N 3.03Å; K73-L77 HydrophobicContact CG-CD1 4.38Å; K73-L77 WeakPolarHBondContact O-CB 3.23Å; K73-L77 VanDerWaalsContact O-CD1 3.25Å; K73-L77 WeakPolarHBondContact O-CD1 3.37Å; K73-L77 PolarHBondContact O-N 2.83Å; K73-W112 HydrophobicContact CB-CH2 4.25Å; K73-W121 HydrophobicContact CD-CH2 3.69Å; K73-W121 HydrophobicContact CD-CZ3 3.9Å
74	S	90.3	Very high	88.1	Confident	62 Å²	62	59.7 Å²	59.7	43%	0.434	27%	0.272	S	S	.	.	H	α-helix	trans	-69.9	-46.5	-174.3	-59.4	0	0	0	0	111	D70 E71 F72 F76 L77 E78	D70-S74 VanDerWaalsContact O-CB 3.25Å; D70-S74 WeakPolarHBondContact O-CB 3.45Å; D70-S74 PolarHBondContact O-N 2.85Å; D70-S74 PolarHBondContact O-OG 3.15Å; E71-S74 PolarHBondContact O-N 2.86Å; F72-S74 PolarHBondContact O-N 3.43Å; S74-F76 PolarHBondContact O-N 3.4Å; S74-L77 PolarHBondContact O-N 2.81Å; S74-E78 PolarHBondContact O-N 2.91Å
75	D	90	Very high	88.1	Confident	60 Å²	60	57.2 Å²	57.2	32%	0.321	27%	0.268	S	S	.	.	H	α-helix	trans	-60.1	-44.4	174.1	-64.7	-19.5	0	0	0	112	E71 L77 E78 L79 Y98	E71-D75 PolarHBondContact O-N 2.94Å; D75-L77 VanDerWaalsContact C-N 3.35Å; D75-L77 PolarHBondContact O-N 2.93Å; D75-E78 PolarHBondContact O-N 2.77Å; D75-L79 WeakPolarHBondContact O-CB 3.5Å; D75-L79 PolarHBondContact O-N 3.1Å; D75-Y98 HydrophobicContact CB-CD2 4.22Å; D75-Y98 HydrophobicContact CB-CE2 3.4Å; D75-Y98 PolarHBondContact OD2-OH 2.81Å; D75-Y98 VanDerWaalsContact OD2-OH 3.05Å
76	F	90.4	Very high	88	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-40.5	-178.5	-171.3	-80.9	0	0	0	110.9	F72 S74 L80 V94 F118 L122 I139	F72-F76 HydrophobicContact CZ-CD2 4.22Å; F72-F76 WeakPolarHBondContact O-CB 3.39Å; F72-F76 PolarHBondContact O-N 3.31Å; S74-F76 PolarHBondContact O-N 3.4Å; F76-L80 WeakPolarHBondContact O-CB 3.18Å; F76-L80 PolarHBondContact O-N 3.49Å; F76-V94 HydrophobicContact CD2-CG1 4.35Å; F76-V94 HydrophobicContact CE1-CG1 4.03Å; F76-V94 HydrophobicContact CE2-CB 4.21Å; F76-V94 HydrophobicContact CE2-CG1 3.76Å; F76-V94 HydrophobicContact CZ-CB 3.94Å; F76-V94 HydrophobicContact CZ-CG1 3.57Å; F76-F118 HydrophobicContact CB-CE1 4.36Å; F76-F118 HydrophobicContact CB-CZ 4.26Å; F76-F118 AromaticContact CD1-CE1 3.61Å; F76-F118 HydrophobicContact CD1-CE1 3.61Å; F76-F118 AromaticContact CD1-CZ 3.97Å; F76-F118 HydrophobicContact CD1-CZ 3.97Å; F76-F118 AromaticContact CD2-CE1 3.96Å; F76-F118 HydrophobicContact CD2-CE1 3.96Å; F76-F118 AromaticContact CE1-CE1 3.77Å; F76-F118 HydrophobicContact CE1-CE1 3.77Å; F76-F118 HydrophobicContact CE2-CE1 4.1Å; F76-F118 AromaticContact CG-CE1 3.71Å; F76-F118 HydrophobicContact CG-CE1 3.71Å; F76-F118 HydrophobicContact CG-CZ 4.06Å; F76-F118 HydrophobicContact CZ-CE1 4.01Å; F76-L122 HydrophobicContact CD1-CD1 4.42Å; F76-L122 HydrophobicContact CE1-CD1 4.15Å; F76-I139 HydrophobicContact CE1-CD1 3.71Å; F76-I139 HydrophobicContact CZ-CD1 3.85Å
77	L	88.8	Confident	87.8	Confident	26 Å²	26	57 Å²	57	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-39.1	172	-96.6	74.2	0	0	0	112.1	K73 S74 D75 L80 R81 L122 L127 Y141	K73-L77 HydrophobicContact CG-CD1 4.38Å; K73-L77 WeakPolarHBondContact O-CB 3.23Å; K73-L77 VanDerWaalsContact O-CD1 3.25Å; K73-L77 WeakPolarHBondContact O-CD1 3.37Å; K73-L77 PolarHBondContact O-N 2.83Å; S74-L77 PolarHBondContact O-N 2.81Å; D75-L77 VanDerWaalsContact C-N 3.35Å; D75-L77 PolarHBondContact O-N 2.93Å; L77-L80 PolarHBondContact O-N 3.49Å; L77-R81 VanDerWaalsContact O-CB 3.24Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 3.22Å; L77-L122 HydrophobicContact CD1-CD2 3.77Å; L77-L127 HydrophobicContact CD2-CD1 4.27Å; L77-L127 HydrophobicContact CD2-CD2 4.42Å; L77-Y141 HydrophobicContact CD2-CE2 4.06Å; L77-Y141 HydrophobicContact CG-CE2 4.14Å
78	E	88.9	Confident	87.8	Confident	98 Å²	98	57.7 Å²	57.7	46%	0.458	26%	0.264	S	S	.	.	H	α-helix	trans	-65.5	-46.1	177.3	-156.5	-135.5	121.2	0	0	111.1	S74 D75 L80 R81 R82	S74-E78 PolarHBondContact O-N 2.91Å; D75-E78 PolarHBondContact O-N 2.77Å; E78-L80 VanDerWaalsContact C-N 3.35Å; E78-L80 PolarHBondContact O-N 3.33Å; E78-R81 PolarHBondContact O-N 2.78Å; E78-R82 WeakPolarHBondContact O-CB 3.41Å; E78-R82 PolarHBondContact O-N 2.78Å; E78-R82 WeakPolarHBondContact OE1-CD 3.41Å; E78-R82 IonicContact OE1-CZ 3.96Å; E78-R82 VanDerWaalsContact OE1-CZ 3.26Å; E78-R82 IonicContact OE1-NE 3.93Å; E78-R82 IonicContact OE1-NH1 3.45Å; E78-R82 PolarHBondContact OE1-NH1 3.29Å; E78-R82 IonicContact OE2-NH1 3.09Å
79	L	89.9	Confident	87.9	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-46.2	175.6	-176.7	67.5	0	0	0	111.4	D75 R82 R83 V94 E97	D75-L79 WeakPolarHBondContact O-CB 3.5Å; D75-L79 PolarHBondContact O-N 3.1Å; L79-R82 PolarHBondContact O-N 2.71Å; L79-R83 HydrophobicContact CD1-CG 4.26Å; L79-R83 PolarHBondContact O-N 3.21Å; L79-V94 HydrophobicContact CD2-CG1 4.29Å; L79-E97 HydrophobicContact CD1-CG 4.37Å; L79-E97 HydrophobicContact CD2-CB 4.28Å; L79-E97 HydrophobicContact CD2-CG 4.43Å
80	L	89	Confident	87.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.275	C	S	.	.	I	π-helix	trans	-60.5	-48.9	177.3	-170.4	68.6	0	0	0	111	F76 L77 E78 F84 G85 V94 I139 Y141	F76-L80 WeakPolarHBondContact O-CB 3.18Å; F76-L80 PolarHBondContact O-N 3.49Å; L77-L80 PolarHBondContact O-N 3.49Å; E78-L80 VanDerWaalsContact C-N 3.35Å; E78-L80 PolarHBondContact O-N 3.33Å; L80-F84 HydrophobicContact CD1-CB 4.19Å; L80-F84 HydrophobicContact CD1-CD2 4.2Å; L80-F84 CarbonylContact O-C 3.53Å; L80-F84 WeakPolarHBondContact O-CA 3.44Å; L80-F84 WeakPolarHBondContact O-CB 3.34Å; L80-F84 PolarHBondContact O-N 3.02Å; L80-G85 PolarHBondContact O-N 2.97Å; L80-V94 HydrophobicContact CD1-CG1 4.19Å; L80-V94 HydrophobicContact CD1-CG2 4Å; L80-I139 HydrophobicContact CD1-CD1 3.84Å; L80-I139 HydrophobicContact CD1-CG1 4.34Å; L80-I139 HydrophobicContact CD2-CD1 4.1Å; L80-Y141 HydrophobicContact CD2-CD2 4.03Å; L80-Y141 HydrophobicContact CD2-CG 4.24Å
81	R	86.2	Confident	87.9	Confident	106 Å²	106	55.9 Å²	55.9	40%	0.4	25%	0.254	S	S	.	.	I	π-helix	trans	-61.3	-45.8	177	-172	176.8	-165.3	175.4	11.8	112.3	L77 E78 G85 Y141 D143 D145	L77-R81 VanDerWaalsContact O-CB 3.24Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 3.22Å; E78-R81 PolarHBondContact O-N 2.78Å; R81-G85 PolarHBondContact O-N 3.02Å; R81-Y141 HydrophobicContact CB-CD1 4.5Å; R81-Y141 HydrophobicContact CB-CE1 4.14Å; R81-Y141 HydrophobicContact CG-CE1 4Å; R81-D143 IonicContact CZ-OD1 2.85Å; R81-D143 IonicContact CZ-OD2 2.7Å; R81-D143 IonicContact NE-OD2 3.99Å; R81-D143 IonicContact NH2-OD1 3.22Å; R81-D143 PolarHBondContact NH2-OD1 2.87Å; R81-D143 IonicContact NH2-OD2 2.65Å; R81-D143 PolarHBondContact NH2-OD2 2.78Å; R81-D145 IonicContact CZ-OD2 3.18Å; R81-D145 IonicContact NH1-OD2 2.78Å; R81-D145 PolarHBondContact NH1-OD2 2.89Å; R81-D145 VanDerWaalsContact NH1-OD2 3.11Å; R81-D145 IonicContact NH2-OD2 2.8Å; R81-D145 PolarHBondContact NH2-OD2 3.14Å
82	R	85.9	Confident	87.9	Confident	139 Å²	139	56.2 Å²	56.2	53%	0.525	26%	0.258	S	S	.	.	I	π-helix	trans	-74	-38.1	-171.2	-175.1	173.6	66.1	-164.2	1.5	113.9	E78 L79	E78-R82 WeakPolarHBondContact O-CB 3.41Å; E78-R82 PolarHBondContact O-N 2.78Å; E78-R82 WeakPolarHBondContact OE1-CD 3.41Å; E78-R82 IonicContact OE1-CZ 3.96Å; E78-R82 VanDerWaalsContact OE1-CZ 3.26Å; E78-R82 IonicContact OE1-NE 3.93Å; E78-R82 IonicContact OE1-NH1 3.45Å; E78-R82 PolarHBondContact OE1-NH1 3.29Å; E78-R82 IonicContact OE2-NH1 3.09Å; L79-R82 PolarHBondContact O-N 2.71Å
83	R	84.4	Confident	87.9	Confident	135 Å²	135	60.5 Å²	60.5	51%	0.509	28%	0.28	S	S	.	.	I	π-helix	trans	-102.6	-39.7	-177	-69.4	-176.1	-178.8	-112.4	2.1	114	L79 E97	L79-R83 HydrophobicContact CD1-CG 4.26Å; L79-R83 PolarHBondContact O-N 3.21Å; R83-E97 VanDerWaalsContact CD-OE1 3.25Å; R83-E97 WeakPolarHBondContact CD-OE1 3.37Å; R83-E97 WeakPolarHBondContact CD-OE2 3.5Å; R83-E97 IonicContact CZ-OE1 2.65Å; R83-E97 IonicContact NE-OE1 3.63Å; R83-E97 PolarHBondContact NE-OE1 2.99Å; R83-E97 IonicContact NE-OE2 3.96Å; R83-E97 IonicContact NH1-OE1 2.69Å; R83-E97 PolarHBondContact NH1-OE1 2.96Å; R83-E97 IonicContact NH2-OE1 3.33Å
84	F	82.4	Confident	87.9	Confident	41 Å²	41	58.4 Å²	58.4	18%	0.18	27%	0.271	C	S	.	.	I	π-helix	trans	-106.3	-29.2	-170.5	-58	-74.8	0	0	0	113	L80 K87 V89 I93 V94 E97	L80-F84 HydrophobicContact CD1-CB 4.19Å; L80-F84 HydrophobicContact CD1-CD2 4.2Å; L80-F84 CarbonylContact O-C 3.53Å; L80-F84 WeakPolarHBondContact O-CA 3.44Å; L80-F84 WeakPolarHBondContact O-CB 3.34Å; L80-F84 PolarHBondContact O-N 3.02Å; F84-K87 WeakPolarHBondContact O-CB 3.36Å; F84-K87 WeakPolarHBondContact O-CG 3.4Å; F84-K87 PolarHBondContact O-N 2.99Å; F84-V89 HydrophobicContact CB-CG2 3.91Å; F84-V89 HydrophobicContact CD1-CB 4.38Å; F84-V89 HydrophobicContact CD1-CG1 3.98Å; F84-V89 HydrophobicContact CD1-CG2 3.58Å; F84-V89 HydrophobicContact CE1-CG1 3.94Å; F84-V89 HydrophobicContact CE1-CG2 4.35Å; F84-V89 HydrophobicContact CG-CG1 4.49Å; F84-V89 HydrophobicContact CG-CG2 3.9Å; F84-V89 HydrophobicContact CZ-CG1 4.44Å; F84-I93 HydrophobicContact CZ-CG2 4.39Å; F84-V94 HydrophobicContact CD2-CG2 4.08Å; F84-V94 HydrophobicContact CE2-CB 4.42Å; F84-V94 HydrophobicContact CE2-CG1 4.31Å; F84-V94 HydrophobicContact CE2-CG2 3.86Å; F84-V94 HydrophobicContact CZ-CG2 4.3Å; F84-E97 WeakPolarHBondContact CE2-OE2 3.31Å; F84-E97 WeakPolarHBondContact CZ-OE2 3.29Å
85	G	82.8	Confident	87.8	Confident	23 Å²	23	56.8 Å²	56.8	24%	0.237	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	-136.7	-173.4	0	0	0	0	0	110.6	L80 R81 K87 Y141	L80-G85 PolarHBondContact O-N 2.97Å; R81-G85 PolarHBondContact O-N 3.02Å; G85-K87 VanDerWaalsContact C-N 3.27Å; G85-K87 PolarHBondContact O-N 3.33Å; G85-Y141 VanDerWaalsContact O-CB 3.31Å; G85-Y141 WeakPolarHBondContact O-CB 3.36Å
86	T	81.3	Confident	87.8	Confident	28 Å²	28	58.7 Å²	58.7	17%	0.172	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	21.3	178.7	61.8	0	0	0	0	114	Q140 Y141 D143 Q152	T86-Q140 WeakPolarHBondContact O-CG 3.39Å; T86-Q140 PolarHBondContact O-NE2 2.81Å; T86-Y141 WeakPolarHBondContact CG2-O 3.23Å; T86-D143 HydrophobicContact CG2-CB 4.03Å; T86-Q152 VanDerWaalsContact CB-OE1 3.24Å; T86-Q152 PolarHBondContact OG1-OE1 2.94Å
87	K	84.9	Confident	87.7	Confident	151 Å²	151	60.8 Å²	60.8	66%	0.657	28%	0.275	S	S	*	.			trans	-71.1	150.7	169.7	-69.3	176.7	177.6	174.9	0	110.8	F84 G85 V89	F84-K87 WeakPolarHBondContact O-CB 3.36Å; F84-K87 WeakPolarHBondContact O-CG 3.4Å; F84-K87 PolarHBondContact O-N 2.99Å; G85-K87 VanDerWaalsContact C-N 3.27Å; G85-K87 PolarHBondContact O-N 3.33Å; K87-V89 HydrophobicContact CB-CG2 4.19Å
88	R	87.8	Confident	87.6	Confident	133 Å²	133	59.8 Å²	59.8	50%	0.502	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.2	170.5	-170.6	-171.9	-166.4	-141.5	5.7	109.2	D131 Y138 I139	R88-D131 IonicContact CZ-OD2 3.8Å; R88-D131 IonicContact NE-OD2 2.63Å; R88-D131 PolarHBondContact NE-OD2 3.39Å; R88-D131 VanDerWaalsContact NH2-CG 3.35Å; R88-D131 IonicContact NH2-OD2 3.26Å; R88-D131 PolarHBondContact NH2-OD2 3.38Å; R88-Y138 HydrophobicContact CG-CD1 4.19Å; R88-I139 WeakPolarHBondContact CA-O 3.44Å
89	V	91	Very high	87.5	Confident	15 Å²	15	57.4 Å²	57.4	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.8	-170.7	-175.4	0	0	0	0	110.2	F84 K87 N91 I93 V94 Y138 I139	F84-V89 HydrophobicContact CB-CG2 3.91Å; F84-V89 HydrophobicContact CD1-CB 4.38Å; F84-V89 HydrophobicContact CD1-CG1 3.98Å; F84-V89 HydrophobicContact CD1-CG2 3.58Å; F84-V89 HydrophobicContact CE1-CG1 3.94Å; F84-V89 HydrophobicContact CE1-CG2 4.35Å; F84-V89 HydrophobicContact CG-CG1 4.49Å; F84-V89 HydrophobicContact CG-CG2 3.9Å; F84-V89 HydrophobicContact CZ-CG1 4.44Å; K87-V89 HydrophobicContact CB-CG2 4.19Å; V89-N91 PolarHBondContact O-N 2.95Å; V89-I93 HydrophobicContact CG1-CB 4.32Å; V89-V94 HydrophobicContact CB-CG2 4.31Å; V89-V94 HydrophobicContact CG1-CG2 3.75Å; V89-Y138 CarbonylContact O-C 3.45Å; V89-Y138 WeakPolarHBondContact O-CA 3.34Å; V89-I139 PolarHBondContact N-O 3.36Å; V89-I139 PolarHBondContact O-N 3.09Å
90	H	91.4	Very high	87.1	Confident	43 Å²	43	60 Å²	60	20%	0.199	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.7	175.3	-174.7	-99.4	0	0	0	110.4	N92 I93 W137 Y138	H90-N92 VanDerWaalsContact C-N 3.33Å; H90-N92 WeakPolarHBondContact CE1-CB 3.43Å; H90-N92 PolarHBondContact CE1-N 3.25Å; H90-N92 VanDerWaalsContact CE1-N 3.32Å; H90-N92 WeakPolarHBondContact NE2-CB 3.34Å; H90-N92 PolarHBondContact NE2-ND2 3.16Å; H90-N92 PolarHBondContact NE2-OD1 2.87Å; H90-N92 PolarHBondContact O-N 3.03Å; H90-I93 HydrophobicContact CB-CD1 3.98Å; H90-I93 HydrophobicContact CB-CG1 4.21Å; H90-I93 VanDerWaalsContact O-CB 3.32Å; H90-I93 WeakPolarHBondContact O-CB 3.35Å; H90-I93 PolarHBondContact O-N 3.04Å; H90-W137 PolarHBondContact CD2-O 3.23Å; H90-W137 VanDerWaalsContact CD2-O 3.28Å; H90-Y138 HydrophobicContact CB-CD1 4.17Å; H90-Y138 HydrophobicContact CB-CE1 3.78Å; H90-Y138 AromaticContact CD2-CE2 3.74Å; H90-Y138 AromaticContact CD2-CZ 3.98Å
91	N	89.6	Confident	86.6	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-37	-166	-173.6	44.3	0	0	0	114	V89 I93 V94 Y95 L115 T119 W137 I139	V89-N91 PolarHBondContact O-N 2.95Å; N91-I93 PolarHBondContact O-N 2.86Å; N91-V94 PolarHBondContact O-N 3.42Å; N91-V94 VanDerWaalsContact O-N 3.17Å; N91-Y95 PolarHBondContact O-N 3.37Å; N91-L115 VanDerWaalsContact ND2-CD1 3.29Å; N91-L115 WeakPolarHBondContact ND2-CD1 3.17Å; N91-L115 WeakPolarHBondContact ND2-CG 3.41Å; N91-L115 PolarHBondContact ND2-O 2.8Å; N91-T119 HydrophobicContact CB-CG2 4.22Å; N91-T119 WeakPolarHBondContact ND2-CG2 3.4Å; N91-T119 WeakPolarHBondContact OD1-CG2 3.36Å; N91-W137 HydrophobicContact CB-CB 4.31Å; N91-W137 VanDerWaalsContact CB-O 3.25Å; N91-W137 WeakPolarHBondContact CB-O 3.31Å; N91-W137 PolarHBondContact N-O 3.29Å; N91-I139 HydrophobicContact CB-CG2 4.43Å
92	N	89.8	Confident	85.8	Confident	72 Å²	72	62.9 Å²	62.9	39%	0.385	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-24	176.6	-64	5	0	0	0	112.9	H90 N96 L115	H90-N92 VanDerWaalsContact C-N 3.33Å; H90-N92 WeakPolarHBondContact CE1-CB 3.43Å; H90-N92 PolarHBondContact CE1-N 3.25Å; H90-N92 VanDerWaalsContact CE1-N 3.32Å; H90-N92 WeakPolarHBondContact NE2-CB 3.34Å; H90-N92 PolarHBondContact NE2-ND2 3.16Å; H90-N92 PolarHBondContact NE2-OD1 2.87Å; H90-N92 PolarHBondContact O-N 3.03Å; N92-N96 WeakPolarHBondContact O-CB 3.49Å; N92-N96 PolarHBondContact O-N 3.48Å; N92-N96 PolarHBondContact O-ND2 3.49Å; N92-L115 WeakPolarHBondContact OD1-CD2 3.15Å
93	I	90.6	Very high	85.2	Confident	89 Å²	89	64.4 Å²	64.4	46%	0.456	31%	0.305	S	S	.	.	H	α-helix	trans	-69.2	-46.5	176.4	-57.9	175.9	0	0	0	109.4	F84 V89 H90 N91 N96 E97	F84-I93 HydrophobicContact CZ-CG2 4.39Å; V89-I93 HydrophobicContact CG1-CB 4.32Å; H90-I93 HydrophobicContact CB-CD1 3.98Å; H90-I93 HydrophobicContact CB-CG1 4.21Å; H90-I93 VanDerWaalsContact O-CB 3.32Å; H90-I93 WeakPolarHBondContact O-CB 3.35Å; H90-I93 PolarHBondContact O-N 3.04Å; N91-I93 PolarHBondContact O-N 2.86Å; I93-N96 PolarHBondContact O-N 2.78Å; I93-E97 WeakPolarHBondContact O-CB 3.26Å; I93-E97 PolarHBondContact O-N 3.03Å
94	V	90	Very high	85.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-41.9	178.5	-171.4	0	0	0	0	110.7	F76 L79 L80 F84 V89 N91 E97 Y98 I139	F76-V94 HydrophobicContact CD2-CG1 4.35Å; F76-V94 HydrophobicContact CE1-CG1 4.03Å; F76-V94 HydrophobicContact CE2-CB 4.21Å; F76-V94 HydrophobicContact CE2-CG1 3.76Å; F76-V94 HydrophobicContact CZ-CB 3.94Å; F76-V94 HydrophobicContact CZ-CG1 3.57Å; L79-V94 HydrophobicContact CD2-CG1 4.29Å; L80-V94 HydrophobicContact CD1-CG1 4.19Å; L80-V94 HydrophobicContact CD1-CG2 4Å; F84-V94 HydrophobicContact CD2-CG2 4.08Å; F84-V94 HydrophobicContact CE2-CB 4.42Å; F84-V94 HydrophobicContact CE2-CG1 4.31Å; F84-V94 HydrophobicContact CE2-CG2 3.86Å; F84-V94 HydrophobicContact CZ-CG2 4.3Å; V89-V94 HydrophobicContact CB-CG2 4.31Å; V89-V94 HydrophobicContact CG1-CG2 3.75Å; N91-V94 PolarHBondContact O-N 3.42Å; N91-V94 VanDerWaalsContact O-N 3.17Å; V94-E97 PolarHBondContact O-N 3.35Å; V94-Y98 WeakPolarHBondContact O-CB 3.35Å; V94-Y98 PolarHBondContact O-N 3Å; V94-I139 HydrophobicContact CG2-CD1 4.18Å
95	Y	89.4	Confident	85.3	Confident	29 Å²	29	56.6 Å²	56.6	11%	0.114	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-41	175.9	-172.7	-103.7	0	0	0	113	F72 N91 E97 Y98 I99 M107 L115	F72-Y95 HydrophobicContact CE2-CD2 4.42Å; F72-Y95 HydrophobicContact CE2-CE2 4.01Å; F72-Y95 HydrophobicContact CZ-CD2 4.37Å; F72-Y95 HydrophobicContact CZ-CE2 4.22Å; N91-Y95 PolarHBondContact O-N 3.37Å; Y95-E97 VanDerWaalsContact C-N 3.27Å; Y95-E97 PolarHBondContact O-N 3.48Å; Y95-Y98 HydrophobicContact CD2-CD1 4.38Å; Y95-Y98 HydrophobicContact CE2-CD1 4.29Å; Y95-Y98 WeakPolarHBondContact O-CB 3.43Å; Y95-Y98 PolarHBondContact O-N 3.12Å; Y95-I99 HydrophobicContact CD1-CG2 4.23Å; Y95-I99 HydrophobicContact CE1-CD1 4.33Å; Y95-I99 HydrophobicContact CE1-CG2 3.7Å; Y95-I99 HydrophobicContact CE2-CG2 4Å; Y95-I99 WeakPolarHBondContact O-CG1 3.47Å; Y95-I99 PolarHBondContact O-N 2.97Å; Y95-M107 HydrophobicContact CD2-CE 3.96Å; Y95-M107 HydrophobicContact CE2-CB 4.3Å; Y95-M107 HydrophobicContact CE2-CE 3.63Å; Y95-M107 WeakPolarHBondContact OH-CB 3.48Å; Y95-L115 HydrophobicContact CD1-CD2 4Å; Y95-L115 HydrophobicContact CD2-CD1 3.95Å; Y95-L115 HydrophobicContact CD2-CD2 4.47Å; Y95-L115 HydrophobicContact CG-CD1 4.01Å; Y95-L115 HydrophobicContact CG-CD2 3.77Å; Y95-L115 HydrophobicContact CG-CG 4.49Å
96	N	88.3	Confident	85.2	Confident	99 Å²	99	58.9 Å²	58.9	53%	0.529	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-33.1	175.6	-76	-12.5	0	0	0	112.4	N92 I93 I99 S100	N92-N96 WeakPolarHBondContact O-CB 3.49Å; N92-N96 PolarHBondContact O-N 3.48Å; N92-N96 PolarHBondContact O-ND2 3.49Å; I93-N96 PolarHBondContact O-N 2.78Å; N96-I99 WeakPolarHBondContact O-CG1 3.36Å; N96-S100 PolarHBondContact O-N 2.94Å
97	E	89	Confident	85.2	Confident	44 Å²	44	57.8 Å²	57.8	21%	0.206	27%	0.273	C	S	.	.	H	α-helix	trans	-75.9	-34.8	173.9	-166.1	167.7	-133.7	0	0	111.9	L79 R83 F84 I93 V94 Y95 S100	L79-E97 HydrophobicContact CD1-CG 4.37Å; L79-E97 HydrophobicContact CD2-CB 4.28Å; L79-E97 HydrophobicContact CD2-CG 4.43Å; R83-E97 VanDerWaalsContact CD-OE1 3.25Å; R83-E97 WeakPolarHBondContact CD-OE1 3.37Å; R83-E97 WeakPolarHBondContact CD-OE2 3.5Å; R83-E97 IonicContact CZ-OE1 2.65Å; R83-E97 IonicContact NE-OE1 3.63Å; R83-E97 PolarHBondContact NE-OE1 2.99Å; R83-E97 IonicContact NE-OE2 3.96Å; R83-E97 IonicContact NH1-OE1 2.69Å; R83-E97 PolarHBondContact NH1-OE1 2.96Å; R83-E97 IonicContact NH2-OE1 3.33Å; F84-E97 WeakPolarHBondContact CE2-OE2 3.31Å; F84-E97 WeakPolarHBondContact CZ-OE2 3.29Å; I93-E97 WeakPolarHBondContact O-CB 3.26Å; I93-E97 PolarHBondContact O-N 3.03Å; V94-E97 PolarHBondContact O-N 3.35Å; Y95-E97 VanDerWaalsContact C-N 3.27Å; Y95-E97 PolarHBondContact O-N 3.48Å; E97-S100 WeakPolarHBondContact O-CB 3.45Å; E97-S100 PolarHBondContact O-N 3.08Å; E97-S100 PolarHBondContact O-OG 3.45Å
98	Y	87.6	Confident	84.9	Confident	5 Å²	5	56.4 Å²	56.4	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-60.1	-51.9	172.5	178.8	-112.1	0	0	0	111.8	F72 D75 V94 Y95 S100 H101 H104 V105	F72-Y98 HydrophobicContact CD2-CD1 4.24Å; F72-Y98 AromaticContact CD2-CE1 3.38Å; F72-Y98 HydrophobicContact CD2-CE1 3.38Å; F72-Y98 AromaticContact CD2-CZ 3.77Å; F72-Y98 AromaticContact CE2-CD1 3.74Å; F72-Y98 HydrophobicContact CE2-CD1 3.74Å; F72-Y98 AromaticContact CE2-CE1 3.34Å; F72-Y98 HydrophobicContact CE2-CE1 3.34Å; D75-Y98 HydrophobicContact CB-CD2 4.22Å; D75-Y98 HydrophobicContact CB-CE2 3.4Å; D75-Y98 PolarHBondContact OD2-OH 2.81Å; D75-Y98 VanDerWaalsContact OD2-OH 3.05Å; V94-Y98 WeakPolarHBondContact O-CB 3.35Å; V94-Y98 PolarHBondContact O-N 3Å; Y95-Y98 HydrophobicContact CD2-CD1 4.38Å; Y95-Y98 HydrophobicContact CE2-CD1 4.29Å; Y95-Y98 WeakPolarHBondContact O-CB 3.43Å; Y95-Y98 PolarHBondContact O-N 3.12Å; Y98-S100 PolarHBondContact O-N 3.04Å; Y98-H101 WeakPolarHBondContact O-CB 3.49Å; Y98-H101 PolarHBondContact O-N 2.79Å; Y98-H104 HydrophobicContact CD1-CB 4.2Å; Y98-H104 HydrophobicContact CE1-CB 3.67Å; Y98-H104 HydrophobicContact CE2-CB 4.06Å; Y98-V105 WeakPolarHBondContact CE1-O 3.27Å; Y98-V105 PolarHBondContact OH-N 2.75Å
99	I	85.6	Confident	84.5	Confident	48 Å²	48	51.5 Å²	51.5	25%	0.246	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-6.6	179.2	69.3	-178.5	0	0	0	114.2	Y95 N96 H101 H104	Y95-I99 HydrophobicContact CD1-CG2 4.23Å; Y95-I99 HydrophobicContact CE1-CD1 4.33Å; Y95-I99 HydrophobicContact CE1-CG2 3.7Å; Y95-I99 HydrophobicContact CE2-CG2 4Å; Y95-I99 WeakPolarHBondContact O-CG1 3.47Å; Y95-I99 PolarHBondContact O-N 2.97Å; N96-I99 WeakPolarHBondContact O-CG1 3.36Å; I99-H101 VanDerWaalsContact C-N 3.32Å; I99-H104 PolarHBondContact O-CE1 3.04Å; I99-H104 VanDerWaalsContact O-CE1 3.31Å; I99-H104 PolarHBondContact O-ND1 2.63Å
100	S	81.6	Confident	84.2	Confident	58 Å²	58	51.1 Å²	51.1	41%	0.406	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-24.3	171	83.3	0	0	0	0	112.7	N96 E97 Y98	N96-S100 PolarHBondContact O-N 2.94Å; E97-S100 WeakPolarHBondContact O-CB 3.45Å; E97-S100 PolarHBondContact O-N 3.08Å; E97-S100 PolarHBondContact O-OG 3.45Å; Y98-S100 PolarHBondContact O-N 3.04Å
101	H	78.7	Confident	84	Confident	74 Å²	74	53.4 Å²	53.4	34%	0.343	27%	0.267	S	S	.	.	S	Bend	trans	-71.5	144.3	170.7	-70.4	-87.2	0	0	0	110.1	Y98 I99 H104	Y98-H101 WeakPolarHBondContact O-CB 3.49Å; Y98-H101 PolarHBondContact O-N 2.79Å; I99-H101 VanDerWaalsContact C-N 3.32Å; H101-H104 PolarHBondContact O-ND1 3.33Å
102	R	70.3	Confident	84	Confident	93 Å²	93	53.5 Å²	53.5	35%	0.351	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-18.8	-169.6	-72.7	-173.6	63.2	-176.2	3.5	115.6	S18 L21	S18-R102 PolarHBondContact O-NH1 2.77Å; S18-R102 PolarHBondContact O-NH2 3.17Å; S18-R102 VanDerWaalsContact O-NH2 3.15Å; L21-R102 HydrophobicContact CD1-CG 3.86Å
103	E	73.4	Confident	83.7	Confident	170 Å²	170	58.4 Å²	58.4	79%	0.794	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	18.2	-173.9	-70.7	154.2	166.6	0	0	110.7
104	H	83.5	Confident	83.6	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.037	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-64.9	143.5	179.1	75.6	-101.1	0	0	0	112	Y98 I99 H101	Y98-H104 HydrophobicContact CD1-CB 4.2Å; Y98-H104 HydrophobicContact CE1-CB 3.67Å; Y98-H104 HydrophobicContact CE2-CB 4.06Å; I99-H104 PolarHBondContact O-CE1 3.04Å; I99-H104 VanDerWaalsContact O-CE1 3.31Å; I99-H104 PolarHBondContact O-ND1 2.63Å; H101-H104 PolarHBondContact O-ND1 3.33Å
105	V	84.4	Confident	83.4	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.024	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-76.1	123.6	169.8	179.2	0	0	0	0	108.5	F68 E71 F72 Y98 T110	F68-V105 HydrophobicContact CB-CG1 3.99Å; F68-V105 HydrophobicContact CD1-CG1 4.35Å; F68-V105 HydrophobicContact CD1-CG2 4.44Å; F68-V105 HydrophobicContact CG-CG1 4.49Å; E71-V105 HydrophobicContact CB-CG2 4.23Å; F72-V105 HydrophobicContact CB-CB 4.09Å; F72-V105 HydrophobicContact CB-CG1 4.22Å; F72-V105 HydrophobicContact CD2-CB 4.48Å; Y98-V105 WeakPolarHBondContact CE1-O 3.27Å; Y98-V105 PolarHBondContact OH-N 2.75Å; V105-T110 HydrophobicContact CG1-CG2 4Å
106	H	81.4	Confident	83.4	Confident	71 Å²	71	60.2 Å²	60.2	33%	0.329	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-71.6	137.6	177.1	-165	-90.1	0	0	0	111	N108 S109	H106-N108 VanDerWaalsContact C-N 3.26Å; H106-N108 PolarHBondContact CE1-OD1 3.46Å; H106-N108 PolarHBondContact ND1-OD1 3.11Å; H106-N108 VanDerWaalsContact ND1-OD1 3.16Å; H106-N108 PolarHBondContact O-N 3.24Å; H106-N108 VanDerWaalsContact O-N 3.1Å; H106-S109 WeakPolarHBondContact O-CB 3.31Å; H106-S109 PolarHBondContact O-N 3.37Å
107	M	81.6	Confident	83.5	Confident	6 Å²	6	58.3 Å²	58.3	3%	0.03	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-45.4	-47.4	-176.5	-176.4	69.5	67.9	0	0	113.1	F72 Y95 S109 T110 W112 L115 F118	F72-M107 HydrophobicContact CE1-CE 3.93Å; F72-M107 HydrophobicContact CE1-SD 4.14Å; F72-M107 HydrophobicContact CE2-CE 4.12Å; F72-M107 HydrophobicContact CZ-CE 3.35Å; F72-M107 HydrophobicContact CZ-SD 4.03Å; Y95-M107 HydrophobicContact CD2-CE 3.96Å; Y95-M107 HydrophobicContact CE2-CB 4.3Å; Y95-M107 HydrophobicContact CE2-CE 3.63Å; Y95-M107 WeakPolarHBondContact OH-CB 3.48Å; M107-S109 PolarHBondContact O-N 3.03Å; M107-T110 WeakPolarHBondContact O-CB 3.48Å; M107-T110 PolarHBondContact O-N 3.26Å; M107-T110 PolarHBondContact O-OG1 2.94Å; M107-W112 VanDerWaalsContact CG-O 3.26Å; M107-W112 WeakPolarHBondContact CG-O 3.25Å; M107-W112 HydrophobicContact SD-CB 4.06Å; M107-W112 VanDerWaalsContact SD-O 3.36Å; M107-L115 HydrophobicContact CE-CB 3.92Å; M107-L115 HydrophobicContact CE-CD1 3.63Å; M107-L115 HydrophobicContact CE-CG 4.37Å; M107-F118 HydrophobicContact SD-CB 4.46Å
108	N	78.9	Confident	83.6	Confident	122 Å²	122	56.2 Å²	56.2	65%	0.652	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-59.6	-6.2	178.1	-53.1	36	0	0	0	115.7	H106	H106-N108 VanDerWaalsContact C-N 3.26Å; H106-N108 PolarHBondContact CE1-OD1 3.46Å; H106-N108 PolarHBondContact ND1-OD1 3.11Å; H106-N108 VanDerWaalsContact ND1-OD1 3.16Å; H106-N108 PolarHBondContact O-N 3.24Å; H106-N108 VanDerWaalsContact O-N 3.1Å
109	S	79.1	Confident	83.7	Confident	30 Å²	30	56 Å²	56	21%	0.21	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-102.8	2.9	174.4	-59.6	0	0	0	0	113.3	F68 H106 M107	F68-S109 WeakPolarHBondContact CB-O 3.29Å; H106-S109 WeakPolarHBondContact O-CB 3.31Å; H106-S109 PolarHBondContact O-N 3.37Å; M107-S109 PolarHBondContact O-N 3.03Å
110	T	84.8	Confident	84	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.043	29%	0.292	C	S	.	.	S	Bend	trans	-103.6	177.2	174.9	75.2	0	0	0	0	110.9	F72 V105 M107 W112	F72-T110 HydrophobicContact CB-CG2 3.66Å; F72-T110 HydrophobicContact CD1-CG2 4.07Å; F72-T110 HydrophobicContact CD2-CG2 4.38Å; F72-T110 HydrophobicContact CG-CG2 3.77Å; V105-T110 HydrophobicContact CG1-CG2 4Å; M107-T110 WeakPolarHBondContact O-CB 3.48Å; M107-T110 PolarHBondContact O-N 3.26Å; M107-T110 PolarHBondContact O-OG1 2.94Å; T110-W112 HydrophobicContact CG2-CE3 4.32Å; T110-W112 PolarHBondContact O-N 3.07Å; T110-W112 PolarHBondContact OG1-N 3.38Å; T110-W112 VanDerWaalsContact OG1-N 3.12Å; T110-W112 PolarHBondContact OG1-O 2.89Å
111	Q	86.7	Confident	84.5	Confident	91 Å²	91	57.5 Å²	57.5	43%	0.425	28%	0.28	S	S	.	.	S	Bend	trans	-69	-7.8	171.3	74.5	-167.5	-93.7	0	0	114.4	S69	S69-Q111 VanDerWaalsContact CB-NE2 3.28Å; S69-Q111 PolarHBondContact OG-N 3.5Å; S69-Q111 PolarHBondContact OG-NE2 2.86Å
112	W	88.6	Confident	85.1	Confident	3 Å²	3	54 Å²	54	1%	0.011	26%	0.264	C	S	.	.			trans	-108	103.8	-176.3	-52.2	-70.6	0	0	0	110.7	S69 F72 K73 M107 T110 T114 F118 W121	S69-W112 WeakPolarHBondContact O-CZ3 3.34Å; F72-W112 AromaticContact CD1-CE3 3.95Å; F72-W112 HydrophobicContact CD1-CE3 3.95Å; F72-W112 AromaticContact CD1-CZ3 3.76Å; F72-W112 HydrophobicContact CD1-CZ3 3.76Å; F72-W112 HydrophobicContact CE1-CE3 4.26Å; F72-W112 HydrophobicContact CE1-CZ3 4.42Å; K73-W112 HydrophobicContact CB-CH2 4.25Å; M107-W112 VanDerWaalsContact CG-O 3.26Å; M107-W112 WeakPolarHBondContact CG-O 3.25Å; M107-W112 HydrophobicContact SD-CB 4.06Å; M107-W112 VanDerWaalsContact SD-O 3.36Å; T110-W112 HydrophobicContact CG2-CE3 4.32Å; T110-W112 PolarHBondContact O-N 3.07Å; T110-W112 PolarHBondContact OG1-N 3.38Å; T110-W112 VanDerWaalsContact OG1-N 3.12Å; T110-W112 PolarHBondContact OG1-O 2.89Å; W112-T114 PolarHBondContact O-N 3.34Å; W112-F118 HydrophobicContact CB-CB 4Å; W112-F118 HydrophobicContact CD2-CB 4.24Å; W112-F118 AromaticContact CD2-CD2 3.54Å; W112-F118 HydrophobicContact CD2-CD2 3.54Å; W112-F118 HydrophobicContact CD2-CE2 4.36Å; W112-F118 HydrophobicContact CD2-CG 4.3Å; W112-F118 AromaticContact CE2-CD2 3.77Å; W112-F118 AromaticContact CE3-CD2 3.58Å; W112-F118 HydrophobicContact CE3-CD2 3.58Å; W112-F118 HydrophobicContact CE3-CE2 4.05Å; W112-F118 HydrophobicContact CE3-CG 4.4Å; W112-F118 HydrophobicContact CG-CB 3.92Å; W112-F118 HydrophobicContact CG-CD2 4.13Å; W112-F118 HydrophobicContact CG-CG 4.49Å; W112-F118 HydrophobicContact CH2-CD2 4.11Å; W112-F118 AromaticContact CH2-CE2 3.99Å; W112-F118 HydrophobicContact CH2-CE2 3.99Å; W112-F118 HydrophobicContact CZ2-CD2 4.06Å; W112-F118 HydrophobicContact CZ2-CE2 4.27Å; W112-F118 AromaticContact CZ3-CD2 3.88Å; W112-F118 HydrophobicContact CZ3-CD2 3.88Å; W112-F118 AromaticContact CZ3-CE2 3.87Å; W112-F118 HydrophobicContact CZ3-CE2 3.87Å; W112-W121 AromaticContact CE2-CD2 3.97Å; W112-W121 AromaticContact CE2-CG 3.96Å; W112-W121 AromaticContact CZ2-CD2 3.61Å; W112-W121 HydrophobicContact CZ2-CD2 3.61Å; W112-W121 AromaticContact CZ2-CE2 3.63Å; W112-W121 AromaticContact CZ2-CE3 3.81Å; W112-W121 HydrophobicContact CZ2-CE3 3.81Å; W112-W121 HydrophobicContact CZ2-CG 4.1Å; W112-W121 HydrophobicContact CZ2-CH2 4.11Å; W112-W121 AromaticContact CZ2-CZ2 3.88Å; W112-W121 HydrophobicContact CZ2-CZ2 3.88Å; W112-W121 HydrophobicContact CZ2-CZ3 4.06Å; W112-W121 AromaticContact NE1-CD1 3.35Å; W112-W121 AromaticContact NE1-CD2 3.81Å; W112-W121 AromaticContact NE1-CG 3.31Å; W112-W121 VanDerWaalsContact NE1-CG 3.31Å; W112-W121 AromaticContact NE1-NE1 3.84Å
113	E	83.8	Confident	86	Confident	176 Å²	176	51 Å²	51	82%	0.822	26%	0.262	S	S	*	.	S	Bend	trans	-65.7	-27.2	178.1	-62.5	-174.7	165.5	0	0	113.1
114	T	88.4	Confident	86.9	Confident	75 Å²	75	51 Å²	51	46%	0.46	26%	0.255	S	S	.	.	S	Bend	trans	-128.3	142.3	-179.9	70.8	0	0	0	0	111.9	W112 T116 D117 F118	W112-T114 PolarHBondContact O-N 3.34Å; T114-T116 PolarHBondContact O-N 3.34Å; T114-D117 PolarHBondContact O-N 2.67Å; T114-D117 PolarHBondContact OG1-N 2.77Å; T114-F118 PolarHBondContact O-N 3.24Å
115	L	87.1	Confident	87.2	Confident	28 Å²	28	56.6 Å²	56.6	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-55.9	-22.5	172.7	178.6	58.9	0	0	0	113	N91 N92 Y95 M107 F118 T119	N91-L115 VanDerWaalsContact ND2-CD1 3.29Å; N91-L115 WeakPolarHBondContact ND2-CD1 3.17Å; N91-L115 WeakPolarHBondContact ND2-CG 3.41Å; N91-L115 PolarHBondContact ND2-O 2.8Å; N92-L115 WeakPolarHBondContact OD1-CD2 3.15Å; Y95-L115 HydrophobicContact CD1-CD2 4Å; Y95-L115 HydrophobicContact CD2-CD1 3.95Å; Y95-L115 HydrophobicContact CD2-CD2 4.47Å; Y95-L115 HydrophobicContact CG-CD1 4.01Å; Y95-L115 HydrophobicContact CG-CD2 3.77Å; Y95-L115 HydrophobicContact CG-CG 4.49Å; M107-L115 HydrophobicContact CE-CB 3.92Å; M107-L115 HydrophobicContact CE-CD1 3.63Å; M107-L115 HydrophobicContact CE-CG 4.37Å; L115-F118 HydrophobicContact CD1-CD1 4.41Å; L115-T119 PolarHBondContact O-N 3.11Å
116	T	89.4	Confident	87.2	Confident	52 Å²	52	58 Å²	58	32%	0.319	29%	0.294	S	S	.	.	H	α-helix	trans	-79	-35.5	175.1	-59.5	0	0	0	0	113.4	T114 T119 K120 W137	T114-T116 PolarHBondContact O-N 3.34Å; T116-T119 PolarHBondContact O-OG1 3.37Å; T116-K120 HydrophobicContact CG2-CD 4.36Å; T116-K120 VanDerWaalsContact O-CG 3.31Å; T116-K120 WeakPolarHBondContact O-CG 3.13Å; T116-K120 PolarHBondContact O-N 2.67Å; T116-K120 VanDerWaalsContact O-N 3.17Å; T116-W137 HydrophobicContact CG2-CD2 4.34Å; T116-W137 HydrophobicContact CG2-CZ2 4.03Å
117	D	90.6	Very high	87.4	Confident	60 Å²	60	56.3 Å²	56.3	32%	0.321	29%	0.288	S	S	.	.	H	α-helix	trans	-73.6	-34.8	173.3	-172.4	58.8	0	0	0	111.2	T114 T119 K120 W121 R124	T114-D117 PolarHBondContact O-N 2.67Å; T114-D117 PolarHBondContact OG1-N 2.77Å; D117-T119 PolarHBondContact O-N 2.67Å; D117-K120 CarbonylContact O-C 3.57Å; D117-K120 PolarHBondContact O-N 2.83Å; D117-W121 WeakPolarHBondContact O-CB 3.24Å; D117-W121 PolarHBondContact O-N 2.85Å; D117-R124 IonicContact OD1-CZ 3.2Å; D117-R124 IonicContact OD1-NH2 3.5Å; D117-R124 PolarHBondContact OD1-NH2 3.44Å; D117-R124 IonicContact OD2-NH2 3.37Å
118	F	91	Very high	87.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57	-43.8	171.8	178.2	-121.6	0	0	0	112.6	F72 F76 M107 W112 T114 L115 W121 L122	F72-F118 HydrophobicContact CD1-CD2 4.48Å; F72-F118 HydrophobicContact CD1-CE1 4.48Å; F72-F118 HydrophobicContact CD1-CE2 4.07Å; F72-F118 HydrophobicContact CD1-CZ 4.06Å; F72-F118 AromaticContact CE1-CD1 3.73Å; F72-F118 HydrophobicContact CE1-CD1 3.73Å; F72-F118 AromaticContact CE1-CD2 3.93Å; F72-F118 HydrophobicContact CE1-CD2 3.93Å; F72-F118 AromaticContact CE1-CE1 3.51Å; F72-F118 HydrophobicContact CE1-CE1 3.51Å; F72-F118 AromaticContact CE1-CE2 3.74Å; F72-F118 HydrophobicContact CE1-CE2 3.74Å; F72-F118 AromaticContact CE1-CG 3.92Å; F72-F118 HydrophobicContact CE1-CG 3.92Å; F72-F118 AromaticContact CE1-CZ 3.51Å; F72-F118 HydrophobicContact CE1-CZ 3.51Å; F72-F118 HydrophobicContact CZ-CD1 4.21Å; F72-F118 HydrophobicContact CZ-CE1 4.04Å; F72-F118 HydrophobicContact CZ-CZ 4.41Å; F76-F118 HydrophobicContact CB-CE1 4.36Å; F76-F118 HydrophobicContact CB-CZ 4.26Å; F76-F118 AromaticContact CD1-CE1 3.61Å; F76-F118 HydrophobicContact CD1-CE1 3.61Å; F76-F118 AromaticContact CD1-CZ 3.97Å; F76-F118 HydrophobicContact CD1-CZ 3.97Å; F76-F118 AromaticContact CD2-CE1 3.96Å; F76-F118 HydrophobicContact CD2-CE1 3.96Å; F76-F118 AromaticContact CE1-CE1 3.77Å; F76-F118 HydrophobicContact CE1-CE1 3.77Å; F76-F118 HydrophobicContact CE2-CE1 4.1Å; F76-F118 AromaticContact CG-CE1 3.71Å; F76-F118 HydrophobicContact CG-CE1 3.71Å; F76-F118 HydrophobicContact CG-CZ 4.06Å; F76-F118 HydrophobicContact CZ-CE1 4.01Å; M107-F118 HydrophobicContact SD-CB 4.46Å; W112-F118 HydrophobicContact CB-CB 4Å; W112-F118 HydrophobicContact CD2-CB 4.24Å; W112-F118 AromaticContact CD2-CD2 3.54Å; W112-F118 HydrophobicContact CD2-CD2 3.54Å; W112-F118 HydrophobicContact CD2-CE2 4.36Å; W112-F118 HydrophobicContact CD2-CG 4.3Å; W112-F118 AromaticContact CE2-CD2 3.77Å; W112-F118 AromaticContact CE3-CD2 3.58Å; W112-F118 HydrophobicContact CE3-CD2 3.58Å; W112-F118 HydrophobicContact CE3-CE2 4.05Å; W112-F118 HydrophobicContact CE3-CG 4.4Å; W112-F118 HydrophobicContact CG-CB 3.92Å; W112-F118 HydrophobicContact CG-CD2 4.13Å; W112-F118 HydrophobicContact CG-CG 4.49Å; W112-F118 HydrophobicContact CH2-CD2 4.11Å; W112-F118 AromaticContact CH2-CE2 3.99Å; W112-F118 HydrophobicContact CH2-CE2 3.99Å; W112-F118 HydrophobicContact CZ2-CD2 4.06Å; W112-F118 HydrophobicContact CZ2-CE2 4.27Å; W112-F118 AromaticContact CZ3-CD2 3.88Å; W112-F118 HydrophobicContact CZ3-CD2 3.88Å; W112-F118 AromaticContact CZ3-CE2 3.87Å; W112-F118 HydrophobicContact CZ3-CE2 3.87Å; T114-F118 PolarHBondContact O-N 3.24Å; L115-F118 HydrophobicContact CD1-CD1 4.41Å; F118-W121 WeakPolarHBondContact O-CB 3.48Å; F118-W121 PolarHBondContact O-N 2.96Å; F118-L122 HydrophobicContact CD1-CD1 4.09Å; F118-L122 HydrophobicContact CD2-CG 4.34Å; F118-L122 HydrophobicContact CE1-CD1 3.61Å; F118-L122 HydrophobicContact CE1-CG 4.25Å; F118-L122 HydrophobicContact CE2-CD1 4.23Å; F118-L122 HydrophobicContact CE2-CD2 4.06Å; F118-L122 HydrophobicContact CE2-CG 3.98Å; F118-L122 HydrophobicContact CZ-CD1 3.69Å; F118-L122 HydrophobicContact CZ-CD2 4.02Å; F118-L122 HydrophobicContact CZ-CG 3.94Å; F118-L122 WeakPolarHBondContact O-CG 3.41Å; F118-L122 PolarHBondContact O-N 2.89Å
119	T	90.1	Very high	88.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.5	-41.9	174.4	51.9	0	0	0	0	112.5	N91 L115 T116 D117 W121 L122 G123 I139	N91-T119 HydrophobicContact CB-CG2 4.22Å; N91-T119 WeakPolarHBondContact ND2-CG2 3.4Å; N91-T119 WeakPolarHBondContact OD1-CG2 3.36Å; L115-T119 PolarHBondContact O-N 3.11Å; T116-T119 PolarHBondContact O-OG1 3.37Å; D117-T119 PolarHBondContact O-N 2.67Å; T119-W121 PolarHBondContact O-N 2.88Å; T119-L122 PolarHBondContact O-N 2.71Å; T119-G123 PolarHBondContact O-N 3.49Å; T119-I139 HydrophobicContact CG2-CG2 3.6Å
120	K	90.5	Very high	88.9	Confident	93 Å²	93	56.7 Å²	56.7	40%	0.404	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-31.5	172.8	-70.7	172.7	-179.9	-176.9	0	111.7	T116 D117 R124 W137	T116-K120 HydrophobicContact CG2-CD 4.36Å; T116-K120 VanDerWaalsContact O-CG 3.31Å; T116-K120 WeakPolarHBondContact O-CG 3.13Å; T116-K120 PolarHBondContact O-N 2.67Å; T116-K120 VanDerWaalsContact O-N 3.17Å; D117-K120 CarbonylContact O-C 3.57Å; D117-K120 PolarHBondContact O-N 2.83Å; K120-R124 WeakPolarHBondContact O-CB 3.36Å; K120-R124 VanDerWaalsContact O-CG 3.24Å; K120-R124 WeakPolarHBondContact O-CG 3.5Å; K120-R124 PolarHBondContact O-N 3.04Å; K120-R124 VanDerWaalsContact O-N 3.09Å; K120-R124 PolarHBondContact O-NE 2.88Å; K120-W137 HydrophobicContact CD-CH2 4.34Å; K120-W137 HydrophobicContact CG-CH2 4.06Å; K120-W137 HydrophobicContact CG-CZ3 4.24Å
121	W	92.1	Very high	89.2	Confident	44 Å²	44	59.1 Å²	59.1	17%	0.167	30%	0.296	C	S	.	.	H	α-helix	trans	-74	-45.3	174.1	-173.3	104.4	0	0	0	112.3	K73 W112 D117 F118 T119 G123 R124 K125 L127	K73-W121 HydrophobicContact CD-CH2 3.69Å; K73-W121 HydrophobicContact CD-CZ3 3.9Å; W112-W121 AromaticContact CE2-CD2 3.97Å; W112-W121 AromaticContact CE2-CG 3.96Å; W112-W121 AromaticContact CZ2-CD2 3.61Å; W112-W121 HydrophobicContact CZ2-CD2 3.61Å; W112-W121 AromaticContact CZ2-CE2 3.63Å; W112-W121 AromaticContact CZ2-CE3 3.81Å; W112-W121 HydrophobicContact CZ2-CE3 3.81Å; W112-W121 HydrophobicContact CZ2-CG 4.1Å; W112-W121 HydrophobicContact CZ2-CH2 4.11Å; W112-W121 AromaticContact CZ2-CZ2 3.88Å; W112-W121 HydrophobicContact CZ2-CZ2 3.88Å; W112-W121 HydrophobicContact CZ2-CZ3 4.06Å; W112-W121 AromaticContact NE1-CD1 3.35Å; W112-W121 AromaticContact NE1-CD2 3.81Å; W112-W121 AromaticContact NE1-CG 3.31Å; W112-W121 VanDerWaalsContact NE1-CG 3.31Å; W112-W121 AromaticContact NE1-NE1 3.84Å; D117-W121 WeakPolarHBondContact O-CB 3.24Å; D117-W121 PolarHBondContact O-N 2.85Å; F118-W121 WeakPolarHBondContact O-CB 3.48Å; F118-W121 PolarHBondContact O-N 2.96Å; T119-W121 PolarHBondContact O-N 2.88Å; W121-G123 VanDerWaalsContact C-N 3.28Å; W121-G123 PolarHBondContact O-N 3.37Å; W121-R124 PolarHBondContact O-N 2.84Å; W121-R124 VanDerWaalsContact O-N 3.16Å; W121-K125 HydrophobicContact CD2-CG 4Å; W121-K125 HydrophobicContact CE3-CG 3.93Å; W121-K125 HydrophobicContact CH2-CD 4.33Å; W121-K125 HydrophobicContact CH2-CG 3.8Å; W121-K125 HydrophobicContact CZ2-CD 4.23Å; W121-K125 VanDerWaalsContact CZ2-CE 3.41Å; W121-K125 HydrophobicContact CZ2-CG 3.89Å; W121-K125 HydrophobicContact CZ3-CB 4.44Å; W121-K125 HydrophobicContact CZ3-CG 3.82Å; W121-K125 PolarHBondContact O-N 2.7Å; W121-L127 HydrophobicContact CZ3-CD1 4.16Å
122	L	91.5	Very high	89.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.7	-39.2	174.8	-73.6	176.9	0	0	0	112.4	F76 L77 F118 T119 G126 L127 C128	F76-L122 HydrophobicContact CD1-CD1 4.42Å; F76-L122 HydrophobicContact CE1-CD1 4.15Å; L77-L122 HydrophobicContact CD1-CD2 3.77Å; F118-L122 HydrophobicContact CD1-CD1 4.09Å; F118-L122 HydrophobicContact CD2-CG 4.34Å; F118-L122 HydrophobicContact CE1-CD1 3.61Å; F118-L122 HydrophobicContact CE1-CG 4.25Å; F118-L122 HydrophobicContact CE2-CD1 4.23Å; F118-L122 HydrophobicContact CE2-CD2 4.06Å; F118-L122 HydrophobicContact CE2-CG 3.98Å; F118-L122 HydrophobicContact CZ-CD1 3.69Å; F118-L122 HydrophobicContact CZ-CD2 4.02Å; F118-L122 HydrophobicContact CZ-CG 3.94Å; F118-L122 WeakPolarHBondContact O-CG 3.41Å; F118-L122 PolarHBondContact O-N 2.89Å; T119-L122 PolarHBondContact O-N 2.71Å; L122-G126 PolarHBondContact O-N 2.66Å; L122-L127 HydrophobicContact CD2-CB 4.24Å; L122-L127 HydrophobicContact CD2-CD1 4Å; L122-L127 PolarHBondContact O-N 2.68Å; L122-C128 HydrophobicContact CB-CB 4.32Å
123	G	90.4	Very high	89.4	Confident	30 Å²	30	62.7 Å²	62.7	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-64.6	-50	171.9	0	0	0	0	0	112.1	T119 W121 K125 G126	T119-G123 PolarHBondContact O-N 3.49Å; W121-G123 VanDerWaalsContact C-N 3.28Å; W121-G123 PolarHBondContact O-N 3.37Å; G123-K125 PolarHBondContact O-N 2.94Å; G123-G126 PolarHBondContact O-N 3.11Å
124	R	91.3	Very high	89.4	Confident	171 Å²	171	61.3 Å²	61.3	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-58.3	-30.8	175.6	-79.8	175.7	-76.6	-177.9	-1.5	113.4	D117 K120 W121	D117-R124 IonicContact OD1-CZ 3.2Å; D117-R124 IonicContact OD1-NH2 3.5Å; D117-R124 PolarHBondContact OD1-NH2 3.44Å; D117-R124 IonicContact OD2-NH2 3.37Å; K120-R124 WeakPolarHBondContact O-CB 3.36Å; K120-R124 VanDerWaalsContact O-CG 3.24Å; K120-R124 WeakPolarHBondContact O-CG 3.5Å; K120-R124 PolarHBondContact O-N 3.04Å; K120-R124 VanDerWaalsContact O-N 3.09Å; K120-R124 PolarHBondContact O-NE 2.88Å; W121-R124 PolarHBondContact O-N 2.84Å; W121-R124 VanDerWaalsContact O-N 3.16Å
125	K	88.8	Confident	89.2	Confident	126 Å²	126	66.2 Å²	66.2	55%	0.548	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.3	174	-70.6	-73.1	-172	175.7	0	114.2	W121 G123 L127	W121-K125 HydrophobicContact CD2-CG 4Å; W121-K125 HydrophobicContact CE3-CG 3.93Å; W121-K125 HydrophobicContact CH2-CD 4.33Å; W121-K125 HydrophobicContact CH2-CG 3.8Å; W121-K125 HydrophobicContact CZ2-CD 4.23Å; W121-K125 VanDerWaalsContact CZ2-CE 3.41Å; W121-K125 HydrophobicContact CZ2-CG 3.89Å; W121-K125 HydrophobicContact CZ3-CB 4.44Å; W121-K125 HydrophobicContact CZ3-CG 3.82Å; W121-K125 PolarHBondContact O-N 2.7Å; G123-K125 PolarHBondContact O-N 2.94Å; K125-L127 VanDerWaalsContact C-N 3.27Å; K125-L127 HydrophobicContact CB-CD1 4.01Å; K125-L127 HydrophobicContact CB-CG 3.98Å; K125-L127 PolarHBondContact O-N 2.94Å
126	G	86	Confident	89.2	Confident	33 Å²	33	66 Å²	66	34%	0.34	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	29.8	-177.1	0	0	0	0	0	113.8	L122 G123 R144	L122-G126 PolarHBondContact O-N 2.66Å; G123-G126 PolarHBondContact O-N 3.11Å; G126-R144 PolarHBondContact O-NH2 3.24Å
127	L	85.9	Confident	89.3	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.188	33%	0.332	C	S	.	.	S	Bend	trans	-88.3	-33.6	176.7	-65	172.6	0	0	0	111.4	L77 W121 L122 K125 V142	L77-L127 HydrophobicContact CD2-CD1 4.27Å; L77-L127 HydrophobicContact CD2-CD2 4.42Å; W121-L127 HydrophobicContact CZ3-CD1 4.16Å; L122-L127 HydrophobicContact CD2-CB 4.24Å; L122-L127 HydrophobicContact CD2-CD1 4Å; L122-L127 PolarHBondContact O-N 2.68Å; K125-L127 VanDerWaalsContact C-N 3.27Å; K125-L127 HydrophobicContact CB-CD1 4.01Å; K125-L127 HydrophobicContact CB-CG 3.98Å; K125-L127 PolarHBondContact O-N 2.94Å; L127-V142 PolarHBondContact O-N 2.7Å
128	C	88.5	Confident	89.4	Confident	4 Å²	4	65.3 Å²	65.3	3%	0.027	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.8	173.1	-61.4	0	0	0	0	109.5	L122 V130 Q140	L122-C128 HydrophobicContact CB-CB 4.32Å; C128-V130 HydrophobicContact CB-CG2 4.08Å; C128-Q140 CarbonylContact C-O 3.48Å; C128-Q140 WeakPolarHBondContact CA-O 3.45Å; C128-Q140 WeakPolarHBondContact CB-O 3.17Å
129	K	88.8	Confident	89.4	Confident	126 Å²	126	65.3 Å²	65.3	55%	0.548	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	140.8	153.6	-73.6	176.1	178.9	179.9	0	107.6	I139 Q140 V142	K129-I139 WeakPolarHBondContact O-CA 3.35Å; K129-Q140 HydrophobicContact CB-CB 4.25Å; K129-Q140 PolarHBondContact N-O 2.95Å; K129-Q140 PolarHBondContact O-N 2.92Å; K129-V142 HydrophobicContact CG-CG2 3.93Å
130	V	92.2	Very high	89.4	Confident	36 Å²	36	68 Å²	68	22%	0.218	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.5	-171	-177.9	0	0	0	0	107.9	C128 W137 Y138 I139	C128-V130 HydrophobicContact CB-CG2 4.08Å; V130-W137 HydrophobicContact CG1-CE3 3.54Å; V130-W137 HydrophobicContact CG1-CZ3 3.77Å; V130-Y138 WeakPolarHBondContact CA-O 3.25Å; V130-I139 HydrophobicContact CG1-CG2 4.46Å; V130-I139 HydrophobicContact CG2-CG2 4.2Å
131	D	91.4	Very high	89.3	Confident	57 Å²	57	65 Å²	65	31%	0.305	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.8	-178.7	-43.1	-50.3	0	0	0	110	R88 Y138	R88-D131 IonicContact CZ-OD2 3.8Å; R88-D131 IonicContact NE-OD2 2.63Å; R88-D131 PolarHBondContact NE-OD2 3.39Å; R88-D131 VanDerWaalsContact NH2-CG 3.35Å; R88-D131 IonicContact NH2-OD2 3.26Å; R88-D131 PolarHBondContact NH2-OD2 3.38Å; D131-Y138 PolarHBondContact N-O 3.16Å; D131-Y138 PolarHBondContact O-N 3.3Å
132	E	90.9	Very high	89	Confident	134 Å²	134	65.3 Å²	65.3	63%	0.626	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	139.7	169.1	-170	157.1	-149.8	0	0	110	W137	E132-W137 HydrophobicContact CB-CE3 4.36Å; E132-W137 HydrophobicContact CB-CH2 3.92Å; E132-W137 HydrophobicContact CB-CZ2 4.11Å; E132-W137 HydrophobicContact CB-CZ3 4.06Å; E132-W137 HydrophobicContact CG-CH2 4.2Å; E132-W137 HydrophobicContact CG-CZ2 3.87Å; E132-W137 WeakPolarHBondContact OE1-CZ2 3.45Å; E132-W137 PolarHBondContact OE1-NE1 2.89Å; E132-W137 WeakPolarHBondContact OE2-CH2 3.49Å; E132-W137 VanDerWaalsContact OE2-CZ2 3.24Å; E132-W137 WeakPolarHBondContact OE2-CZ2 3.45Å
133	T	89.5	Confident	88.2	Confident	36 Å²	36	66 Å²	66	22%	0.221	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.6	177.7	75	0	0	0	0	110	K135 G136 Y138	T133-K135 PolarHBondContact O-N 3.2Å; T133-K135 PolarHBondContact OG1-N 2.93Å; T133-G136 PolarHBondContact N-O 3.06Å; T133-G136 VanDerWaalsContact N-O 3.14Å; T133-G136 PolarHBondContact O-N 3.34Å; T133-G136 PolarHBondContact OG1-N 3Å; T133-G136 PolarHBondContact OG1-O 2.81Å; T133-Y138 HydrophobicContact CG2-CD2 3.7Å; T133-Y138 HydrophobicContact CG2-CE2 4.06Å; T133-Y138 VanDerWaalsContact OG1-CE2 3.31Å; T133-Y138 WeakPolarHBondContact OG1-CE2 3.49Å
134	P	82.9	Confident	87.2	Confident	147 Å²	147	72.3 Å²	72.3	96%	0.955	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.2	175.1	-25	35.1	0	0	0	115
135	K	83.6	Confident	85.9	Confident	177 Å²	177	67.9 Å²	67.9	77%	0.77	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	3.7	176.6	-63.1	-170.7	177.8	-176.5	0	113.5	T133	T133-K135 PolarHBondContact O-N 3.2Å; T133-K135 PolarHBondContact OG1-N 2.93Å
136	G	87.6	Confident	84.4	Confident	23 Å²	23	66.1 Å²	66.1	24%	0.237	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.2	-167.3	-178.4	0	0	0	0	0	113.8	T133	T133-G136 PolarHBondContact N-O 3.06Å; T133-G136 VanDerWaalsContact N-O 3.14Å; T133-G136 PolarHBondContact O-N 3.34Å; T133-G136 PolarHBondContact OG1-N 3Å; T133-G136 PolarHBondContact OG1-O 2.81Å
137	W	91.7	Very high	83.2	Confident	40 Å²	40	72.1 Å²	72.1	15%	0.152	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.5	-171.3	-71.3	80.6	0	0	0	111.6	H90 N91 T116 K120 V130 E132	H90-W137 PolarHBondContact CD2-O 3.23Å; H90-W137 VanDerWaalsContact CD2-O 3.28Å; N91-W137 HydrophobicContact CB-CB 4.31Å; N91-W137 VanDerWaalsContact CB-O 3.25Å; N91-W137 WeakPolarHBondContact CB-O 3.31Å; N91-W137 PolarHBondContact N-O 3.29Å; T116-W137 HydrophobicContact CG2-CD2 4.34Å; T116-W137 HydrophobicContact CG2-CZ2 4.03Å; K120-W137 HydrophobicContact CD-CH2 4.34Å; K120-W137 HydrophobicContact CG-CH2 4.06Å; K120-W137 HydrophobicContact CG-CZ3 4.24Å; V130-W137 HydrophobicContact CG1-CE3 3.54Å; V130-W137 HydrophobicContact CG1-CZ3 3.77Å; E132-W137 HydrophobicContact CB-CE3 4.36Å; E132-W137 HydrophobicContact CB-CH2 3.92Å; E132-W137 HydrophobicContact CB-CZ2 4.11Å; E132-W137 HydrophobicContact CB-CZ3 4.06Å; E132-W137 HydrophobicContact CG-CH2 4.2Å; E132-W137 HydrophobicContact CG-CZ2 3.87Å; E132-W137 WeakPolarHBondContact OE1-CZ2 3.45Å; E132-W137 PolarHBondContact OE1-NE1 2.89Å; E132-W137 WeakPolarHBondContact OE2-CH2 3.49Å; E132-W137 VanDerWaalsContact OE2-CZ2 3.24Å; E132-W137 WeakPolarHBondContact OE2-CZ2 3.45Å
138	Y	92.1	Very high	82.1	Confident	59 Å²	59	72.4 Å²	72.4	23%	0.231	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.7	173	-76	-99.7	0	0	0	110.4	R88 V89 H90 V130 D131 T133	R88-Y138 HydrophobicContact CG-CD1 4.19Å; V89-Y138 CarbonylContact O-C 3.45Å; V89-Y138 WeakPolarHBondContact O-CA 3.34Å; H90-Y138 HydrophobicContact CB-CD1 4.17Å; H90-Y138 HydrophobicContact CB-CE1 3.78Å; H90-Y138 AromaticContact CD2-CE2 3.74Å; H90-Y138 AromaticContact CD2-CZ 3.98Å; V130-Y138 WeakPolarHBondContact CA-O 3.25Å; D131-Y138 PolarHBondContact N-O 3.16Å; D131-Y138 PolarHBondContact O-N 3.3Å; T133-Y138 HydrophobicContact CG2-CD2 3.7Å; T133-Y138 HydrophobicContact CG2-CE2 4.06Å; T133-Y138 VanDerWaalsContact OG1-CE2 3.31Å; T133-Y138 WeakPolarHBondContact OG1-CE2 3.49Å
139	I	91.6	Very high	81	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.8	174.9	59.6	171.6	0	0	0	110.7	F76 L80 R88 V89 N91 V94 T119 K129 V130	F76-I139 HydrophobicContact CE1-CD1 3.71Å; F76-I139 HydrophobicContact CZ-CD1 3.85Å; L80-I139 HydrophobicContact CD1-CD1 3.84Å; L80-I139 HydrophobicContact CD1-CG1 4.34Å; L80-I139 HydrophobicContact CD2-CD1 4.1Å; R88-I139 WeakPolarHBondContact CA-O 3.44Å; V89-I139 PolarHBondContact N-O 3.36Å; V89-I139 PolarHBondContact O-N 3.09Å; N91-I139 HydrophobicContact CB-CG2 4.43Å; V94-I139 HydrophobicContact CG2-CD1 4.18Å; T119-I139 HydrophobicContact CG2-CG2 3.6Å; K129-I139 WeakPolarHBondContact O-CA 3.35Å; V130-I139 HydrophobicContact CG1-CG2 4.46Å; V130-I139 HydrophobicContact CG2-CG2 4.2Å
140	Q	90	Very high	79.8	Confident	56 Å²	56	78.3 Å²	78.3	26%	0.262	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122.2	170.7	165.9	174.5	63.8	0	0	107.7	T86 C128 K129	T86-Q140 WeakPolarHBondContact O-CG 3.39Å; T86-Q140 PolarHBondContact O-NE2 2.81Å; C128-Q140 CarbonylContact C-O 3.48Å; C128-Q140 WeakPolarHBondContact CA-O 3.45Å; C128-Q140 WeakPolarHBondContact CB-O 3.17Å; K129-Q140 HydrophobicContact CB-CB 4.25Å; K129-Q140 PolarHBondContact N-O 2.95Å; K129-Q140 PolarHBondContact O-N 2.92Å
141	Y	89.2	Confident	78.8	Confident	31 Å²	31	84.9 Å²	84.9	12%	0.122	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	139	176.4	-172.8	-125.8	0	0	0	111	L77 L80 R81 G85 T86 D143	L77-Y141 HydrophobicContact CD2-CE2 4.06Å; L77-Y141 HydrophobicContact CG-CE2 4.14Å; L80-Y141 HydrophobicContact CD2-CD2 4.03Å; L80-Y141 HydrophobicContact CD2-CG 4.24Å; R81-Y141 HydrophobicContact CB-CD1 4.5Å; R81-Y141 HydrophobicContact CB-CE1 4.14Å; R81-Y141 HydrophobicContact CG-CE1 4Å; G85-Y141 VanDerWaalsContact O-CB 3.31Å; G85-Y141 WeakPolarHBondContact O-CB 3.36Å; T86-Y141 WeakPolarHBondContact CG2-O 3.23Å; Y141-D143 HydrophobicContact CD1-CB 3.88Å; Y141-D143 HydrophobicContact CE1-CB 3.68Å
142	V	84.3	Confident	77.7	Confident	50 Å²	50	85.2 Å²	85.2	30%	0.303	41%	0.408	S	S	.	.			trans	-102.3	87.7	169.8	-176.9	0	0	0	0	107.5	L127 K129 R144	L127-V142 PolarHBondContact O-N 2.7Å; K129-V142 HydrophobicContact CG-CG2 3.93Å; V142-R144 PolarHBondContact O-N 2.9Å
143	D	75.9	Confident	77	Confident	14 Å²	14	84.7 Å²	84.7	8%	0.075	41%	0.406	C	S	.	.			trans	-64.3	130.2	171.4	-160.7	-20	0	0	0	109.1	R81 T86 Y141 D145 T148	R81-D143 IonicContact CZ-OD1 2.85Å; R81-D143 IonicContact CZ-OD2 2.7Å; R81-D143 IonicContact NE-OD2 3.99Å; R81-D143 IonicContact NH2-OD1 3.22Å; R81-D143 PolarHBondContact NH2-OD1 2.87Å; R81-D143 IonicContact NH2-OD2 2.65Å; R81-D143 PolarHBondContact NH2-OD2 2.78Å; T86-D143 HydrophobicContact CG2-CB 4.03Å; Y141-D143 HydrophobicContact CD1-CB 3.88Å; Y141-D143 HydrophobicContact CE1-CB 3.68Å; D143-D145 PolarHBondContact OD1-N 2.93Å; D143-T148 HydrophobicContact CB-CG2 4.1Å; D143-T148 VanDerWaalsContact OD2-CB 3.25Å; D143-T148 WeakPolarHBondContact OD2-CB 3.46Å; D143-T148 WeakPolarHBondContact OD2-CG2 3.45Å; D143-T148 PolarHBondContact OD2-OG1 3.26Å
144	R	68.6	Low	76.4	Confident	162 Å²	162	87.5 Å²	87.5	61%	0.611	42%	0.416	S	S	*	.			trans	-102.5	-5.9	-178.8	-61.1	-174.8	-177.3	-176.7	1.7	112.2	G126 V142	G126-R144 PolarHBondContact O-NH2 3.24Å; V142-R144 PolarHBondContact O-N 2.9Å
145	D	64.8	Low	76.1	Confident	78 Å²	78	85.8 Å²	85.8	42%	0.417	40%	0.396	S	S	.	.	S	Bend	trans	-75.3	131.5	176.3	-73.3	-35.3	0	0	0	110.7	R81 D143 E147 T148 I149	R81-D145 IonicContact CZ-OD2 3.18Å; R81-D145 IonicContact NH1-OD2 2.78Å; R81-D145 PolarHBondContact NH1-OD2 2.89Å; R81-D145 VanDerWaalsContact NH1-OD2 3.11Å; R81-D145 IonicContact NH2-OD2 2.8Å; R81-D145 PolarHBondContact NH2-OD2 3.14Å; D143-D145 PolarHBondContact OD1-N 2.93Å; D145-E147 PolarHBondContact O-N 2.79Å; D145-T148 PolarHBondContact O-N 2.8Å; D145-I149 PolarHBondContact O-N 2.7Å
146	P	56.8	Low	76	Confident	89 Å²	89	80.4 Å²	80.4	58%	0.578	38%	0.384	S	S	*	.	H	α-helix	trans	-68.1	-20.7	-168.9	27	-35.7	0	0	0	113.7	R150	P146-R150 WeakPolarHBondContact O-CB 3.39Å; P146-R150 WeakPolarHBondContact O-CG 3.3Å; P146-R150 PolarHBondContact O-N 3.3Å
147	E	61.2	Low	75.8	Confident	160 Å²	160	87.1 Å²	87.1	75%	0.748	40%	0.402	S	S	*	.	H	α-helix	trans	-71.4	-42.2	176.9	-58.2	-168.2	150.7	0	0	111.8	D145 I149 R150 R151	D145-E147 PolarHBondContact O-N 2.79Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 2.98Å; E147-R150 PolarHBondContact O-N 3.26Å; E147-R151 WeakPolarHBondContact O-CB 3.15Å; E147-R151 PolarHBondContact O-N 2.9Å
148	T	63	Low	75.4	Confident	41 Å²	41	89.9 Å²	89.9	25%	0.252	42%	0.415	S	S	.	.	H	α-helix	trans	-69.3	-33.8	177.6	-37.2	0	0	0	0	111.2	D143 D145 Q152	D143-T148 HydrophobicContact CB-CG2 4.1Å; D143-T148 VanDerWaalsContact OD2-CB 3.25Å; D143-T148 WeakPolarHBondContact OD2-CB 3.46Å; D143-T148 WeakPolarHBondContact OD2-CG2 3.45Å; D143-T148 PolarHBondContact OD2-OG1 3.26Å; D145-T148 PolarHBondContact O-N 2.8Å; T148-Q152 WeakPolarHBondContact O-CG 3.34Å; T148-Q152 PolarHBondContact O-N 3.47Å; T148-Q152 VanDerWaalsContact O-N 3.11Å; T148-Q152 PolarHBondContact O-NE2 3.49Å
149	I	65.2	Low	74.8	Confident	69 Å²	69	93.7 Å²	93.7	35%	0.354	43%	0.433	S	S	.	.	H	α-helix	trans	-63.1	-53.5	172.2	-62.9	171.9	0	0	0	109.7	D145 E147 R151 Q152 E153	D145-I149 PolarHBondContact O-N 2.7Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 2.98Å; I149-R151 VanDerWaalsContact C-N 3.29Å; I149-R151 PolarHBondContact O-N 2.83Å; I149-Q152 WeakPolarHBondContact O-CB 3.45Å; I149-Q152 PolarHBondContact O-N 3.28Å; I149-E153 HydrophobicContact CG2-CG 4.41Å; I149-E153 WeakPolarHBondContact O-CG 3.45Å; I149-E153 PolarHBondContact O-N 2.88Å
150	R	63.8	Low	74.4	Confident	186 Å²	186	101.4 Å²	101.4	70%	0.702	47%	0.466	S	S	*	.	H	α-helix	trans	-53.8	-42.6	176	-81.9	175.6	156.6	-164.1	-7.2	113.2	P146 E147 Q152 E153 E154	P146-R150 WeakPolarHBondContact O-CB 3.39Å; P146-R150 WeakPolarHBondContact O-CG 3.3Å; P146-R150 PolarHBondContact O-N 3.3Å; E147-R150 PolarHBondContact O-N 3.26Å; R150-Q152 VanDerWaalsContact C-N 3.32Å; R150-Q152 PolarHBondContact O-N 2.81Å; R150-E153 PolarHBondContact O-N 3.1Å; R150-E154 WeakPolarHBondContact O-CB 3.31Å; R150-E154 PolarHBondContact O-N 2.86Å
151	R	71.3	Confident	74	Confident	173 Å²	173	103 Å²	103	65%	0.653	47%	0.474	S	S	*	.	H	α-helix	trans	-67.4	-32.1	179	-165.7	173	-173.1	169.6	2.6	112.7	E147 I149 Q155	E147-R151 WeakPolarHBondContact O-CB 3.15Å; E147-R151 PolarHBondContact O-N 2.9Å; I149-R151 VanDerWaalsContact C-N 3.29Å; I149-R151 PolarHBondContact O-N 2.83Å; R151-Q155 WeakPolarHBondContact O-CB 3.43Å; R151-Q155 VanDerWaalsContact O-CG 3.3Å; R151-Q155 WeakPolarHBondContact O-CG 3.39Å; R151-Q155 PolarHBondContact O-N 3.39Å; R151-Q155 VanDerWaalsContact O-N 3.07Å
152	Q	67.3	Low	73.7	Confident	65 Å²	65	107.1 Å²	107.1	30%	0.304	49%	0.494	S	S	.	.	H	α-helix	trans	-73.8	-41.2	172.8	-74.3	167.3	92.2	0	0	112	T86 T148 I149 R150 E154 Q155 A156	T86-Q152 VanDerWaalsContact CB-OE1 3.24Å; T86-Q152 PolarHBondContact OG1-OE1 2.94Å; T148-Q152 WeakPolarHBondContact O-CG 3.34Å; T148-Q152 PolarHBondContact O-N 3.47Å; T148-Q152 VanDerWaalsContact O-N 3.11Å; T148-Q152 PolarHBondContact O-NE2 3.49Å; I149-Q152 WeakPolarHBondContact O-CB 3.45Å; I149-Q152 PolarHBondContact O-N 3.28Å; R150-Q152 VanDerWaalsContact C-N 3.32Å; R150-Q152 PolarHBondContact O-N 2.81Å; Q152-E154 VanDerWaalsContact C-N 3.34Å; Q152-Q155 PolarHBondContact O-N 3.18Å; Q152-A156 VanDerWaalsContact O-CB 3.27Å; Q152-A156 WeakPolarHBondContact O-CB 3.48Å; Q152-A156 PolarHBondContact O-N 2.86Å
153	E	76.5	Confident	73.4	Confident	123 Å²	123	109.8 Å²	109.8	58%	0.575	51%	0.506	S	S	*	.	H	α-helix	trans	-61.7	-42.2	173.4	-70.1	175.8	161	0	0	111.3	I149 R150 A156 R157	I149-E153 HydrophobicContact CG2-CG 4.41Å; I149-E153 WeakPolarHBondContact O-CG 3.45Å; I149-E153 PolarHBondContact O-N 2.88Å; R150-E153 PolarHBondContact O-N 3.1Å; E153-A156 PolarHBondContact O-N 3.37Å; E153-R157 VanDerWaalsContact O-CB 3.29Å; E153-R157 WeakPolarHBondContact O-CB 3.33Å; E153-R157 PolarHBondContact O-N 3.13Å
154	E	77.4	Confident	73.7	Confident	95 Å²	95	112.7 Å²	112.7	44%	0.444	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-42	175.6	-163.5	-163.9	164.5	0	0	111.8	R150 Q152 R157 K158	R150-E154 WeakPolarHBondContact O-CB 3.31Å; R150-E154 PolarHBondContact O-N 2.86Å; Q152-E154 VanDerWaalsContact C-N 3.34Å; E154-R157 PolarHBondContact O-N 2.84Å; E154-K158 WeakPolarHBondContact O-CB 3.37Å; E154-K158 WeakPolarHBondContact O-CG 3.44Å; E154-K158 PolarHBondContact O-N 2.86Å; E154-K158 WeakPolarHBondContact OE1-CE 3.42Å; E154-K158 IonicContact OE1-NZ 3.3Å; E154-K158 PolarHBondContact OE1-NZ 2.93Å
155	Q	75.9	Confident	74.3	Confident	111 Å²	111	109.5 Å²	109.5	52%	0.519	52%	0.517	S	S	.	.	H	α-helix	trans	-67.5	-39.1	174.9	-77.3	-179.8	-2.5	0	0	112.7	R151 Q152 K158 K159	R151-Q155 WeakPolarHBondContact O-CB 3.43Å; R151-Q155 VanDerWaalsContact O-CG 3.3Å; R151-Q155 WeakPolarHBondContact O-CG 3.39Å; R151-Q155 PolarHBondContact O-N 3.39Å; R151-Q155 VanDerWaalsContact O-N 3.07Å; Q152-Q155 PolarHBondContact O-N 3.18Å; Q155-K158 PolarHBondContact O-N 3.04Å; Q155-K159 WeakPolarHBondContact O-CB 3.49Å; Q155-K159 WeakPolarHBondContact O-CG 3.46Å; Q155-K159 PolarHBondContact O-N 3.06Å
156	A	81.2	Confident	75	Confident	63 Å²	63	111.8 Å²	111.8	52%	0.521	53%	0.525	S	S	.	.	H	α-helix	trans	-67.1	-38.1	174.8	0	0	0	0	0	111.4	Q152 E153 K160	Q152-A156 VanDerWaalsContact O-CB 3.27Å; Q152-A156 WeakPolarHBondContact O-CB 3.48Å; Q152-A156 PolarHBondContact O-N 2.86Å; E153-A156 PolarHBondContact O-N 3.37Å; A156-K160 WeakPolarHBondContact O-CB 3.17Å; A156-K160 PolarHBondContact O-N 3.06Å
157	R	84.1	Confident	76.3	Confident	164 Å²	164	113 Å²	113	62%	0.619	52%	0.523	S	S	*	.	H	α-helix	trans	-66.1	-46.8	174	-158.8	-174	89.4	-170.3	5.6	111.2	E153 E154 K159 K160 Q161	E153-R157 VanDerWaalsContact O-CB 3.29Å; E153-R157 WeakPolarHBondContact O-CB 3.33Å; E153-R157 PolarHBondContact O-N 3.13Å; E154-R157 PolarHBondContact O-N 2.84Å; R157-K159 PolarHBondContact O-N 3.49Å; R157-K160 PolarHBondContact O-N 2.77Å; R157-K160 VanDerWaalsContact O-N 3.15Å; R157-Q161 VanDerWaalsContact NE-OE1 3.09Å; R157-Q161 VanDerWaalsContact O-CG 3.29Å; R157-Q161 WeakPolarHBondContact O-CG 3.25Å; R157-Q161 PolarHBondContact O-N 3.09Å
158	K	82.3	Confident	77.2	Confident	99 Å²	99	112.4 Å²	112.4	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-57.3	-49.3	174.9	-76.7	176.2	-174.8	173	0	111.2	E154 Q155 K160 Q161 E162	E154-K158 WeakPolarHBondContact O-CB 3.37Å; E154-K158 WeakPolarHBondContact O-CG 3.44Å; E154-K158 PolarHBondContact O-N 2.86Å; E154-K158 WeakPolarHBondContact OE1-CE 3.42Å; E154-K158 IonicContact OE1-NZ 3.3Å; E154-K158 PolarHBondContact OE1-NZ 2.93Å; Q155-K158 PolarHBondContact O-N 3.04Å; K158-K160 VanDerWaalsContact C-N 3.31Å; K158-K160 PolarHBondContact O-N 3.46Å; K158-Q161 CarbonylContact O-C 3.55Å; K158-Q161 WeakPolarHBondContact O-CA 3.4Å; K158-Q161 WeakPolarHBondContact O-CB 3.06Å; K158-Q161 PolarHBondContact O-N 3.31Å; K158-E162 WeakPolarHBondContact O-CB 3.4Å; K158-E162 VanDerWaalsContact O-CG 3.31Å; K158-E162 WeakPolarHBondContact O-CG 3.3Å; K158-E162 PolarHBondContact O-N 3.05Å
159	K	80.9	Confident	78.2	Confident	138 Å²	138	113.2 Å²	113.2	60%	0.6	52%	0.521	S	S	*	.	H	α-helix	trans	-59.5	-36.9	174.6	-74.6	-173.3	173.6	-159.8	0	114.2	Q155 R157 Q161 E162 L163	Q155-K159 WeakPolarHBondContact O-CB 3.49Å; Q155-K159 WeakPolarHBondContact O-CG 3.46Å; Q155-K159 PolarHBondContact O-N 3.06Å; R157-K159 PolarHBondContact O-N 3.49Å; K159-Q161 VanDerWaalsContact C-N 3.34Å; K159-E162 WeakPolarHBondContact CA-OE2 3.37Å; K159-L163 WeakPolarHBondContact O-CB 3.42Å; K159-L163 WeakPolarHBondContact O-CD1 3.39Å; K159-L163 VanDerWaalsContact O-CG 3.25Å; K159-L163 WeakPolarHBondContact O-CG 3.41Å; K159-L163 PolarHBondContact O-N 2.87Å
160	K	83.1	Confident	79.1	Confident	162 Å²	162	112 Å²	112	70%	0.704	52%	0.522	S	S	*	.	H	α-helix	trans	-68.9	-33.2	174.9	-170.9	178.7	178	-176	0	112.2	A156 R157 K158 D164	A156-K160 WeakPolarHBondContact O-CB 3.17Å; A156-K160 PolarHBondContact O-N 3.06Å; R157-K160 PolarHBondContact O-N 2.77Å; R157-K160 VanDerWaalsContact O-N 3.15Å; K158-K160 VanDerWaalsContact C-N 3.31Å; K158-K160 PolarHBondContact O-N 3.46Å; K160-D164 PolarHBondContact O-N 2.65Å
161	Q	81.1	Confident	80.1	Confident	91 Å²	91	109 Å²	109	43%	0.425	51%	0.514	S	S	.	.	H	α-helix	trans	-73.9	-45.8	174.9	-66.2	179	-92.1	0	0	110.7	R157 K158 K159 L163 D164 D165	R157-Q161 VanDerWaalsContact NE-OE1 3.09Å; R157-Q161 VanDerWaalsContact O-CG 3.29Å; R157-Q161 WeakPolarHBondContact O-CG 3.25Å; R157-Q161 PolarHBondContact O-N 3.09Å; K158-Q161 CarbonylContact O-C 3.55Å; K158-Q161 WeakPolarHBondContact O-CA 3.4Å; K158-Q161 WeakPolarHBondContact O-CB 3.06Å; K158-Q161 PolarHBondContact O-N 3.31Å; K159-Q161 VanDerWaalsContact C-N 3.34Å; Q161-L163 VanDerWaalsContact C-N 3.3Å; Q161-L163 PolarHBondContact O-N 2.86Å; Q161-D164 PolarHBondContact O-N 3.48Å; Q161-D164 VanDerWaalsContact O-N 3.1Å; Q161-D165 PolarHBondContact O-N 3.2Å
162	E	82	Confident	80.6	Confident	116 Å²	116	107.1 Å²	107.1	54%	0.542	51%	0.511	S	S	.	.	H	α-helix	trans	-53.9	-43.7	172.5	-71.1	163.7	168	0	0	111.4	K158 K159 D165 E166	K158-E162 WeakPolarHBondContact O-CB 3.4Å; K158-E162 VanDerWaalsContact O-CG 3.31Å; K158-E162 WeakPolarHBondContact O-CG 3.3Å; K158-E162 PolarHBondContact O-N 3.05Å; K159-E162 WeakPolarHBondContact CA-OE2 3.37Å; E162-D165 PolarHBondContact O-N 3.22Å; E162-E166 WeakPolarHBondContact O-CB 3.44Å; E162-E166 PolarHBondContact O-N 3.17Å
163	L	78.1	Confident	81.4	Confident	106 Å²	106	108.7 Å²	108.7	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-67.2	-34.6	176.5	-75.1	166.5	0	0	0	114.2	K159 Q161 E167	K159-L163 WeakPolarHBondContact O-CB 3.42Å; K159-L163 WeakPolarHBondContact O-CD1 3.39Å; K159-L163 VanDerWaalsContact O-CG 3.25Å; K159-L163 WeakPolarHBondContact O-CG 3.41Å; K159-L163 PolarHBondContact O-N 2.87Å; Q161-L163 VanDerWaalsContact C-N 3.3Å; Q161-L163 PolarHBondContact O-N 2.86Å; L163-E167 WeakPolarHBondContact O-CB 3.24Å; L163-E167 PolarHBondContact O-N 3.34Å
164	D	82.1	Confident	81.6	Confident	76 Å²	76	109.2 Å²	109.2	41%	0.406	52%	0.523	S	S	.	.	H	α-helix	trans	-70	-41.3	175.1	-175.7	11.2	0	0	0	110.4	K160 Q161 R168	K160-D164 PolarHBondContact O-N 2.65Å; Q161-D164 PolarHBondContact O-N 3.48Å; Q161-D164 VanDerWaalsContact O-N 3.1Å; D164-R168 WeakPolarHBondContact O-CB 3.24Å; D164-R168 WeakPolarHBondContact O-CD 3.31Å; D164-R168 WeakPolarHBondContact O-CG 3.38Å; D164-R168 PolarHBondContact O-N 3.19Å; D164-R168 IonicContact OD1-CZ 2.6Å; D164-R168 VanDerWaalsContact OD1-CZ 3.27Å; D164-R168 IonicContact OD1-NE 3.56Å; D164-R168 PolarHBondContact OD1-NE 2.87Å; D164-R168 IonicContact OD1-NH2 2.64Å; D164-R168 PolarHBondContact OD1-NH2 2.88Å; D164-R168 IonicContact OD2-CZ 2.77Å; D164-R168 IonicContact OD2-NE 2.63Å; D164-R168 IonicContact OD2-NH2 3.7Å; D164-R168 PolarHBondContact OD2-NH2 2.87Å
165	D	82.4	Confident	81.8	Confident	95 Å²	95	109 Å²	109	51%	0.508	52%	0.521	S	S	.	.	H	α-helix	trans	-70.7	-31.8	174.3	-68.4	-34.4	0	0	0	112.7	Q161 E162 R168 S169	Q161-D165 PolarHBondContact O-N 3.2Å; E162-D165 PolarHBondContact O-N 3.22Å; D165-R168 PolarHBondContact O-N 2.85Å; D165-S169 WeakPolarHBondContact O-CB 3.41Å; D165-S169 PolarHBondContact O-N 2.77Å; D165-S169 PolarHBondContact O-OG 3.19Å
166	E	79.8	Confident	82	Confident	126 Å²	126	109.5 Å²	109.5	59%	0.589	52%	0.524	S	S	*	.	H	α-helix	trans	-71.8	-40.3	174.1	-167.4	165.1	-133.2	0	0	111.2	E162 S169 A170	E162-E166 WeakPolarHBondContact O-CB 3.44Å; E162-E166 PolarHBondContact O-N 3.17Å; E166-S169 WeakPolarHBondContact CA-OG 3.19Å; E166-S169 PolarHBondContact O-OG 3.4Å; E166-A170 WeakPolarHBondContact O-CB 3.46Å; E166-A170 PolarHBondContact O-N 3.21Å
167	E	83.2	Confident	82	Confident	115 Å²	115	110.5 Å²	110.5	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-40	169.4	-88.3	-159.4	-147.5	0	0	112.9	L163 K171	L163-E167 WeakPolarHBondContact O-CB 3.24Å; L163-E167 PolarHBondContact O-N 3.34Å; E167-K171 WeakPolarHBondContact O-CB 3.45Å; E167-K171 WeakPolarHBondContact O-CD 3.31Å; E167-K171 VanDerWaalsContact O-CG 3.29Å; E167-K171 WeakPolarHBondContact O-CG 3.4Å; E167-K171 PolarHBondContact O-N 2.93Å; E167-K171 VanDerWaalsContact O-N 3.08Å; E167-K171 IonicContact OE2-NZ 2.74Å; E167-K171 PolarHBondContact OE2-NZ 2.74Å
168	R	80.8	Confident	81.5	Confident	146 Å²	146	108.8 Å²	108.8	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-67.6	-45.6	178	-72	165.4	-164.9	-152.7	7.8	111.7	D164 D165 K171 F172	D164-R168 WeakPolarHBondContact O-CB 3.24Å; D164-R168 WeakPolarHBondContact O-CD 3.31Å; D164-R168 WeakPolarHBondContact O-CG 3.38Å; D164-R168 PolarHBondContact O-N 3.19Å; D164-R168 IonicContact OD1-CZ 2.6Å; D164-R168 VanDerWaalsContact OD1-CZ 3.27Å; D164-R168 IonicContact OD1-NE 3.56Å; D164-R168 PolarHBondContact OD1-NE 2.87Å; D164-R168 IonicContact OD1-NH2 2.64Å; D164-R168 PolarHBondContact OD1-NH2 2.88Å; D164-R168 IonicContact OD2-CZ 2.77Å; D164-R168 IonicContact OD2-NE 2.63Å; D164-R168 IonicContact OD2-NH2 3.7Å; D164-R168 PolarHBondContact OD2-NH2 2.87Å; D165-R168 PolarHBondContact O-N 2.85Å; R168-K171 PolarHBondContact O-N 2.83Å; R168-F172 WeakPolarHBondContact O-CB 3.1Å; R168-F172 PolarHBondContact O-N 2.99Å
169	S	82.7	Confident	81.3	Confident	59 Å²	59	113.1 Å²	113.1	41%	0.413	53%	0.53	S	S	.	.	H	α-helix	trans	-68.7	-37.8	178.1	54.3	0	0	0	0	111.8	D165 E166 K171 F172 I173	D165-S169 WeakPolarHBondContact O-CB 3.41Å; D165-S169 PolarHBondContact O-N 2.77Å; D165-S169 PolarHBondContact O-OG 3.19Å; E166-S169 WeakPolarHBondContact CA-OG 3.19Å; E166-S169 PolarHBondContact O-OG 3.4Å; S169-K171 PolarHBondContact O-N 2.88Å; S169-F172 PolarHBondContact O-N 3.28Å; S169-I173 WeakPolarHBondContact O-CB 3.45Å; S169-I173 WeakPolarHBondContact O-CD1 3.49Å; S169-I173 WeakPolarHBondContact O-CG1 3.45Å; S169-I173 PolarHBondContact O-N 3.48Å
170	A	84.7	Confident	81	Confident	44 Å²	44	108.4 Å²	108.4	36%	0.364	52%	0.521	S	S	.	.	H	α-helix	trans	-58.8	-45.1	171.1	0	0	0	0	0	112.3	E166 I173 Q174	E166-A170 WeakPolarHBondContact O-CB 3.46Å; E166-A170 PolarHBondContact O-N 3.21Å; A170-I173 PolarHBondContact O-N 2.87Å; A170-Q174 WeakPolarHBondContact O-CB 3.37Å; A170-Q174 WeakPolarHBondContact O-CG 3.31Å; A170-Q174 PolarHBondContact O-N 3.46Å
171	K	84.3	Confident	80.1	Confident	122 Å²	122	106 Å²	106	53%	0.53	51%	0.514	S	S	.	.	H	α-helix	trans	-64.6	-40.4	175.6	-72.9	163.4	-170.4	153.3	0	112.2	E167 R168 S169 Q174 E175	E167-K171 WeakPolarHBondContact O-CB 3.45Å; E167-K171 WeakPolarHBondContact O-CD 3.31Å; E167-K171 VanDerWaalsContact O-CG 3.29Å; E167-K171 WeakPolarHBondContact O-CG 3.4Å; E167-K171 PolarHBondContact O-N 2.93Å; E167-K171 VanDerWaalsContact O-N 3.08Å; E167-K171 IonicContact OE2-NZ 2.74Å; E167-K171 PolarHBondContact OE2-NZ 2.74Å; R168-K171 PolarHBondContact O-N 2.83Å; S169-K171 PolarHBondContact O-N 2.88Å; K171-Q174 PolarHBondContact O-N 3.34Å; K171-E175 PolarHBondContact O-N 2.8Å
172	F	82.8	Confident	79.2	Confident	134 Å²	134	106 Å²	106	59%	0.588	52%	0.517	S	S	*	.	H	α-helix	trans	-65.7	-41.8	176.3	-173.8	-95.2	0	0	0	112.4	R168 S169 E175 Q176	R168-F172 WeakPolarHBondContact O-CB 3.1Å; R168-F172 PolarHBondContact O-N 2.99Å; S169-F172 PolarHBondContact O-N 3.28Å; F172-E175 PolarHBondContact O-N 3.07Å; F172-Q176 HydrophobicContact CD1-CG 4.34Å; F172-Q176 HydrophobicContact CE1-CG 3.98Å; F172-Q176 HydrophobicContact CZ-CG 4.34Å; F172-Q176 WeakPolarHBondContact O-CG 3.3Å; F172-Q176 PolarHBondContact O-N 2.92Å
173	I	84.4	Confident	78	Confident	98 Å²	98	103.4 Å²	103.4	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-44.4	175.2	-69	163.4	0	0	0	110.5	S169 A170 E175 Q176 V177	S169-I173 WeakPolarHBondContact O-CB 3.45Å; S169-I173 WeakPolarHBondContact O-CD1 3.49Å; S169-I173 WeakPolarHBondContact O-CG1 3.45Å; S169-I173 PolarHBondContact O-N 3.48Å; A170-I173 PolarHBondContact O-N 2.87Å; I173-E175 VanDerWaalsContact C-N 3.32Å; I173-E175 PolarHBondContact O-N 2.87Å; I173-Q176 PolarHBondContact O-N 2.75Å; I173-V177 HydrophobicContact CG2-CG2 4.4Å; I173-V177 WeakPolarHBondContact O-CG2 3.17Å; I173-V177 PolarHBondContact O-N 2.87Å
174	Q	80.5	Confident	76.7	Confident	134 Å²	134	105.9 Å²	105.9	63%	0.626	53%	0.528	S	S	*	.	H	α-helix	trans	-58.1	-42.7	174.8	-78.9	178	-13.1	0	0	112	A170 K171 V177 R178	A170-Q174 WeakPolarHBondContact O-CB 3.37Å; A170-Q174 WeakPolarHBondContact O-CG 3.31Å; A170-Q174 PolarHBondContact O-N 3.46Å; K171-Q174 PolarHBondContact O-N 3.34Å; Q174-V177 PolarHBondContact O-N 2.59Å; Q174-R178 WeakPolarHBondContact O-CB 3.42Å; Q174-R178 PolarHBondContact O-N 2.93Å
175	E	82	Confident	74.9	Confident	89 Å²	89	110.3 Å²	110.3	42%	0.416	55%	0.546	S	S	.	.	H	α-helix	trans	-69.4	-35.8	177.9	-174.1	63.5	-178.3	0	0	112.6	K171 F172 I173 R178 R179	K171-E175 PolarHBondContact O-N 2.8Å; F172-E175 PolarHBondContact O-N 3.07Å; I173-E175 VanDerWaalsContact C-N 3.32Å; I173-E175 PolarHBondContact O-N 2.87Å; E175-R178 VanDerWaalsContact CD-NH2 3.26Å; E175-R178 IonicContact OE1-CZ 3.68Å; E175-R178 IonicContact OE1-NE 3.27Å; E175-R178 IonicContact OE1-NH2 2.76Å; E175-R178 PolarHBondContact OE1-NH2 3.2Å; E175-R178 IonicContact OE2-CZ 3.29Å; E175-R178 VanDerWaalsContact OE2-CZ 3.29Å; E175-R178 IonicContact OE2-NE 3.8Å; E175-R178 PolarHBondContact OE2-NE 2.97Å; E175-R178 IonicContact OE2-NH2 2.96Å; E175-R178 PolarHBondContact OE2-NH2 3.13Å; E175-R179 WeakPolarHBondContact O-CB 3.37Å; E175-R179 PolarHBondContact O-N 3.44Å
176	Q	78.7	Confident	73.2	Confident	122 Å²	122	110.3 Å²	110.3	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-66.6	-38.9	171.1	-71.7	-145.3	-85.1	0	0	112.7	F172 I173 G180	F172-Q176 HydrophobicContact CD1-CG 4.34Å; F172-Q176 HydrophobicContact CE1-CG 3.98Å; F172-Q176 HydrophobicContact CZ-CG 4.34Å; F172-Q176 WeakPolarHBondContact O-CG 3.3Å; F172-Q176 PolarHBondContact O-N 2.92Å; I173-Q176 PolarHBondContact O-N 2.75Å; Q176-G180 PolarHBondContact O-N 2.94Å
177	V	81.7	Confident	71.6	Confident	85 Å²	85	112.5 Å²	112.5	52%	0.515	57%	0.569	S	S	.	*	H	α-helix	trans	-65.3	-45.7	175	170.4	0	0	0	0	110.3	I173 Q174 G180 M181	I173-V177 HydrophobicContact CG2-CG2 4.4Å; I173-V177 WeakPolarHBondContact O-CG2 3.17Å; I173-V177 PolarHBondContact O-N 2.87Å; Q174-V177 PolarHBondContact O-N 2.59Å; V177-G180 CarbonylContact O-C 3.57Å; V177-G180 WeakPolarHBondContact O-CA 3.2Å; V177-G180 PolarHBondContact O-N 3.43Å; V177-G180 VanDerWaalsContact O-N 3.09Å; V177-M181 HydrophobicContact CG1-SD 4.24Å; V177-M181 WeakPolarHBondContact O-CG 3.29Å; V177-M181 PolarHBondContact O-N 2.92Å
178	R	74.4	Confident	69.8	Low	127 Å²	127	111.4 Å²	111.4	48%	0.479	58%	0.58	S	S	.	*	H	α-helix	trans	-57.1	-53.5	176	-169.4	171.8	75.2	90.8	-2.9	111.1	Q174 E175 G180 M181 D182	Q174-R178 WeakPolarHBondContact O-CB 3.42Å; Q174-R178 PolarHBondContact O-N 2.93Å; E175-R178 VanDerWaalsContact CD-NH2 3.26Å; E175-R178 IonicContact OE1-CZ 3.68Å; E175-R178 IonicContact OE1-NE 3.27Å; E175-R178 IonicContact OE1-NH2 2.76Å; E175-R178 PolarHBondContact OE1-NH2 3.2Å; E175-R178 IonicContact OE2-CZ 3.29Å; E175-R178 VanDerWaalsContact OE2-CZ 3.29Å; E175-R178 IonicContact OE2-NE 3.8Å; E175-R178 PolarHBondContact OE2-NE 2.97Å; E175-R178 IonicContact OE2-NH2 2.96Å; E175-R178 PolarHBondContact OE2-NH2 3.13Å; R178-G180 PolarHBondContact O-N 3.11Å; R178-G180 VanDerWaalsContact O-N 3.13Å; R178-M181 PolarHBondContact O-N 2.76Å; R178-D182 IonicContact NH1-OD2 3.9Å; R178-D182 PolarHBondContact O-N 3.36Å
179	R	77.6	Confident	67.9	Low	190 Å²	190	112.4 Å²	112.4	72%	0.717	59%	0.591	S	S	*	*	H	α-helix	trans	-64.8	-19.1	177.6	-148.1	179.4	84.9	-171.3	8.5	113.8	E175 G183	E175-R179 WeakPolarHBondContact O-CB 3.37Å; E175-R179 PolarHBondContact O-N 3.44Å; R179-G183 PolarHBondContact O-N 3.41Å
180	G	74.3	Confident	66.3	Low	39 Å²	39	115.5 Å²	115.5	40%	0.402	61%	0.61	S	S	.	*	H	α-helix	trans	-85.8	-20.5	171.5	0	0	0	0	0	114.6	Q176 V177 R178	Q176-G180 PolarHBondContact O-N 2.94Å; V177-G180 CarbonylContact O-C 3.57Å; V177-G180 WeakPolarHBondContact O-CA 3.2Å; V177-G180 PolarHBondContact O-N 3.43Å; V177-G180 VanDerWaalsContact O-N 3.09Å; R178-G180 PolarHBondContact O-N 3.11Å; R178-G180 VanDerWaalsContact O-N 3.13Å
181	M	65.1	Low	64.5	Low	112 Å²	112	118.9 Å²	118.9	55%	0.552	63%	0.625	S	S	*	*	H	α-helix	trans	-85	-44.8	170.4	-72	-178.4	62.9	0	0	111	V177 R178 G183 K184 E185	V177-M181 HydrophobicContact CG1-SD 4.24Å; V177-M181 WeakPolarHBondContact O-CG 3.29Å; V177-M181 PolarHBondContact O-N 2.92Å; R178-M181 PolarHBondContact O-N 2.76Å; M181-G183 PolarHBondContact O-N 2.87Å; M181-G183 VanDerWaalsContact O-N 3.15Å; M181-K184 CarbonylContact O-C 3.51Å; M181-K184 WeakPolarHBondContact O-CA 3.48Å; M181-K184 PolarHBondContact O-N 3.18Å; M181-E185 PolarHBondContact O-N 2.63Å
182	D	60.7	Low	62.7	Low	91 Å²	91	122.1 Å²	122.1	49%	0.487	64%	0.635	S	S	.	*	H	α-helix	trans	-56.1	-31.6	173.2	-58.6	-11.1	0	0	0	111.2	R178	R178-D182 IonicContact NH1-OD2 3.9Å; R178-D182 PolarHBondContact O-N 3.36Å
183	G	57	Low	61.4	Low	62 Å²	62	121.3 Å²	121.3	64%	0.639	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	2.3	173.9	0	0	0	0	0	115.7	R179 M181	R179-G183 PolarHBondContact O-N 3.41Å; M181-G183 PolarHBondContact O-N 2.87Å; M181-G183 VanDerWaalsContact O-N 3.15Å
184	K	52.4	Low	59.9	Low	158 Å²	158	123.3 Å²	123.3	69%	0.687	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	-20.7	179	-88.5	-168.7	167.6	-167.3	0	114.6	M181 A186 E187	M181-K184 CarbonylContact O-C 3.51Å; M181-K184 WeakPolarHBondContact O-CA 3.48Å; M181-K184 PolarHBondContact O-N 3.18Å; K184-A186 PolarHBondContact O-N 3.46Å; K184-E187 PolarHBondContact O-N 3.21Å
185	E	43	Very low	58.3	Low	169 Å²	169	124 Å²	124	79%	0.79	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	4.2	173	-96.9	-177	144.6	0	0	114.3	M181	M181-E185 PolarHBondContact O-N 2.63Å
186	A	47.8	Very low	56.7	Low	94 Å²	94	128.6 Å²	128.6	78%	0.777	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-5.8	173.6	0	0	0	0	0	114.8	K184	K184-A186 PolarHBondContact O-N 3.46Å
187	E	45.8	Very low	55.4	Low	172 Å²	172	132.2 Å²	132.2	80%	0.804	68%	0.683	S	S	*	*	S	Bend	trans	-103	125.9	169.3	-73.3	-164	140.7	0	0	110.8	K184	K184-E187 PolarHBondContact O-N 3.21Å
188	A	46.2	Very low	53.8	Low	93 Å²	93	137.3 Å²	137.3	77%	0.769	70%	0.701	S	S	*	*			trans	-73.1	171.7	-171.7	0	0	0	0	0	113.5
189	Q	40.3	Very low	52.4	Low	166 Å²	166	136.1 Å²	136.1	78%	0.776	71%	0.713	S	S	*	*			trans	-32.1	125.5	162.6	-67.5	-80.6	-1.2	0	0	111.4	V191	Q189-V191 VanDerWaalsContact C-N 3.28Å; Q189-V191 PolarHBondContact O-N 3.35Å
190	P	49.3	Very low	51.3	Low	125 Å²	125	136 Å²	136	81%	0.812	72%	0.72	S	S	*	*			trans	-71.6	84.9	-179.8	28.9	-34.5	0	0	0	110.4	Y192	P190-Y192 PolarHBondContact O-N 2.79Å; P190-Y192 VanDerWaalsContact O-N 3.11Å
191	V	46.4	Very low	50.6	Low	114 Å²	114	143.2 Å²	143.2	69%	0.691	74%	0.743	S	S	*	*			trans	-67	107.6	172.6	178.5	0	0	0	0	108.1	Q189 T193	Q189-V191 VanDerWaalsContact C-N 3.28Å; Q189-V191 PolarHBondContact O-N 3.35Å; V191-T193 HydrophobicContact CG1-CG2 4.44Å; V191-T193 PolarHBondContact O-N 3.46Å
192	Y	47.1	Very low	50.1	Low	190 Å²	190	146.9 Å²	146.9	75%	0.745	76%	0.759	S	S	*	*			trans	-70.1	96	173	175.3	-101.1	0	0	0	109.8	P190 E194	P190-Y192 PolarHBondContact O-N 2.79Å; P190-Y192 VanDerWaalsContact O-N 3.11Å; Y192-E194 HydrophobicContact CD1-CG 4.23Å; Y192-E194 HydrophobicContact CE1-CG 3.46Å; Y192-E194 VanDerWaalsContact CE1-CG 3.46Å
193	T	55.5	Low	50.1	Low	117 Å²	117	152.3 Å²	152.3	72%	0.718	78%	0.778	S	S	*	*			trans	-89.4	121.3	166.7	30.1	0	0	0	0	110.2	V191	V191-T193 HydrophobicContact CG1-CG2 4.44Å; V191-T193 PolarHBondContact O-N 3.46Å
194	E	52.2	Low	50	Low	141 Å²	141	155.1 Å²	155.1	66%	0.659	78%	0.783	S	S	*	*			trans	-67.8	134.4	176.7	-66.4	-173	150.3	0	0	111.7	Y192 K196	Y192-E194 HydrophobicContact CD1-CG 4.23Å; Y192-E194 HydrophobicContact CE1-CG 3.46Å; Y192-E194 VanDerWaalsContact CE1-CG 3.46Å; E194-K196 VanDerWaalsContact C-N 3.34Å; E194-K196 PolarHBondContact O-N 3.42Å
195	L	46.7	Very low	50	Low	149 Å²	149	151.7 Å²	151.7	78%	0.78	78%	0.784	S	S	*	*			trans	-79.7	79.7	179.6	-144.7	84.7	0	0	0	110.8	R197	L195-R197 PolarHBondContact O-N 2.82Å
196	K	48.8	Very low	50.1	Low	184 Å²	184	152.7 Å²	152.7	80%	0.8	79%	0.786	S	S	*	*			trans	-62.4	119.9	167	-82	-169.7	172.9	-173.7	0	109.6	E194	E194-K196 VanDerWaalsContact C-N 3.34Å; E194-K196 PolarHBondContact O-N 3.42Å
197	R	50.3	Low	50.3	Low	198 Å²	198	155.9 Å²	155.9	75%	0.747	79%	0.79	S	S	*	*			trans	-97.9	125	172.9	-54.7	-175.4	-170.3	100.5	3.9	108.7	L195	L195-R197 PolarHBondContact O-N 2.82Å
198	E	48.4	Very low	50.2	Low	193 Å²	193	155 Å²	155	90%	0.902	79%	0.79	S	S	*	*	S	Bend	trans	-114.5	30.1	170.7	-66.8	-170.2	141	0	0	111.8
199	S	45.9	Very low	50	Low	102 Å²	102	156 Å²	156	71%	0.713	79%	0.791	S	S	*	*			trans	-165.9	149.8	161.9	55.4	0	0	0	0	109.3
200	E	54.7	Low	50.2	Low	188 Å²	188	153.1 Å²	153.1	88%	0.879	79%	0.785	S	S	*	*			trans	-116	13.7	-170.9	-147.7	-179.5	157.1	0	0	114.6
201	E	58.7	Low	50.1	Low	190 Å²	190	153.5 Å²	153.5	89%	0.888	79%	0.788	S	S	*	*			trans	-126.4	44.5	-169	-62.9	-162.1	132.9	0	0	115.9
202	E	55.2	Low	49.7	Very low	188 Å²	188	154.6 Å²	154.6	88%	0.879	79%	0.794	S	S	*	*			trans	-124.7	133	160.3	-76.2	-153.6	138.8	0	0	113.1
203	K	61.5	Low	49.5	Very low	206 Å²	206	150.1 Å²	150.1	90%	0.896	80%	0.797	S	S	*	*			trans	-101.5	92.2	-166.3	-169.1	175.1	-176.1	175.5	0	111.8	A205	K203-A205 PolarHBondContact O-N 3.45Å
204	V	54.9	Low	48.5	Very low	120 Å²	120	150.4 Å²	150.4	73%	0.727	80%	0.804	S	S	*	*			trans	-62.4	120	-178.9	-171.9	0	0	0	0	111.6	F206	V204-F206 HydrophobicContact CG1-CD2 3.9Å; V204-F206 HydrophobicContact CG1-CE2 3.55Å; V204-F206 HydrophobicContact CG1-CZ 4.39Å
205	A	51.3	Low	47.9	Very low	86 Å²	86	149.3 Å²	149.3	71%	0.711	81%	0.811	S	S	*	*			trans	-111.4	105.9	-178	0	0	0	0	0	112.1	K203	K203-A205 PolarHBondContact O-N 3.45Å
206	F	45	Very low	47.2	Very low	191 Å²	191	147.3 Å²	147.3	84%	0.838	81%	0.81	S	S	*	*			trans	-94.4	109.7	171.4	-78.2	-83.4	0	0	0	110.9	V204	V204-F206 HydrophobicContact CG1-CD2 3.9Å; V204-F206 HydrophobicContact CG1-CE2 3.55Å; V204-F206 HydrophobicContact CG1-CZ 4.39Å
207	N	52.3	Low	46.6	Very low	160 Å²	160	149.5 Å²	149.5	86%	0.856	81%	0.813	S	S	*	*			trans	-89	111.7	170.5	-80.6	-46.3	0	0	0	110.3
208	L	42.6	Very low	45.8	Very low	153 Å²	153	144.7 Å²	144.7	80%	0.801	81%	0.81	S	S	*	*			trans	-123.5	106.1	174.2	-176.7	65.7	0	0	0	109.8	T210	L208-T210 PolarHBondContact O-N 3.03Å
209	S	43.5	Very low	45.1	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	81%	0.805	S	S	*	*			trans	-92.8	100	-174.6	-54.2	0	0	0	0	112.1
210	T	42.9	Very low	44.5	Very low	106 Å²	106	141 Å²	141	65%	0.65	81%	0.805	S	S	*	*			trans	-111.3	116.7	174.5	44.6	0	0	0	0	111.8	L208 V212	L208-T210 PolarHBondContact O-N 3.03Å; T210-V212 PolarHBondContact O-N 3.22Å
211	P	47.9	Very low	43.6	Very low	133 Å²	133	138.1 Å²	138.1	86%	0.864	80%	0.8	S	S	*	*			trans	-83.9	104.5	173.9	31.4	-31.3	0	0	0	110.9
212	V	37.9	Very low	42.5	Very low	137 Å²	137	137.3 Å²	137.3	83%	0.83	80%	0.801	S	S	*	*			trans	-90.6	138.4	167.8	163	0	0	0	0	110	T210	T210-V212 PolarHBondContact O-N 3.22Å
213	A	44	Very low	41.1	Very low	96 Å²	96	131.6 Å²	131.6	79%	0.793	79%	0.793	S	S	*	*			trans	-77.9	157.7	179.9	0	0	0	0	0	113.3
214	S	33.6	Very low	39.8	Very low	124 Å²	124	126.1 Å²	126.1	87%	0.867	79%	0.786	S	S	*	*			trans	-127.7	159.3	164.4	65.6	0	0	0	0	110.5
215	S	38.8	Very low	38.8	Very low	117 Å²	117	126.7 Å²	126.7	82%	0.818	79%	0.79	S	S	*	*			trans	-154.3	132.7	-165.2	-179.6	0	0	0	0	114.5
216	S	33.2	Very low	38	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	79%	0.791	S	S	*	*			trans	-162.7	126.4	162.6	34.9	0	0	0	0	107
217	R	35.2	Very low	37.3	Very low	230 Å²	230	124.1 Å²	124.1	87%	0.868	79%	0.785	S	S	*	*				63.5	123.7	62.1	-58.2	-177.1	82.1	151.7	5.4	110.6
218	S	34.4	Very low	36.4	Very low	98 Å²	98	124.8 Å²	124.8	69%	0.685	79%	0.788	S	S	*	*			cis	-158.7	168.3	28.2	-51.2	0	0	0	0	113.8
219	S	34.5	Very low	35.6	Very low	113 Å²	113	120.6 Å²	120.6	79%	0.79	78%	0.782	S	S	*	*			trans	42.5	143.3	142.7	54.1	0	0	0	0	121.8
220	S	33.2	Very low	35.2	Very low	103 Å²	103	119.8 Å²	119.8	72%	0.72	78%	0.782	S	S	*	*			cis	-171.7	141.7	22.8	34.9	0	0	0	0	115
221	V	35	Very low	34.7	Very low	129 Å²	129	121.1 Å²	121.1	78%	0.782	79%	0.79	S	S	*	*				50.8	145.9	129.5	-159.7	0	0	0	0	122.7
222	L	34.4	Very low	34.1	Very low	172 Å²	172	119.5 Å²	119.5	90%	0.901	78%	0.782	S	S	*	*			trans	85.3	140.6	173.1	-51.2	178.3	0	0	0	116.1
223	G	27.8	Very low	33.8	Very low	69 Å²	69	119.1 Å²	119.1	71%	0.711	78%	0.78	S	S	*	*			cis	172.7	160.3	-8.9	0	0	0	0	0	113.5
224	A	33.5	Very low	33.4	Very low	91 Å²	91	122.8 Å²	122.8	75%	0.752	79%	0.785	S	S	*	*			trans	67.9	141.6	179.2	0	0	0	0	0	116.2
225	T	33.7	Very low	33.3	Very low	131 Å²	131	120.1 Å²	120.1	80%	0.804	78%	0.778	S	S	*	*			cis	67.8	129.7	35.2	71	0	0	0	0	114.2
226	S	33.8	Very low	33.5	Very low	104 Å²	104	120.7 Å²	120.7	73%	0.727	78%	0.778	S	S	*	*			cis	-172.3	-169.4	-6.7	33	0	0	0	0	107
227	V	32.1	Very low	33.4	Very low	120 Å²	120	124.2 Å²	124.2	73%	0.727	79%	0.788	S	S	*	*			cis	-161.9	172.3	18.9	-150.6	0	0	0	0	109.2
228	L	32.3	Very low	33.1	Very low	173 Å²	173	122.5 Å²	122.5	91%	0.906	79%	0.787	S	S	*	*			trans	69.1	158.8	164.3	-57.6	166.8	0	0	0	117.2
229	G	26.6	Very low	33.1	Very low	66 Å²	66	122.2 Å²	122.2	68%	0.68	79%	0.79	S	S	*	*			cis	160.4	142.3	-12.7	0	0	0	0	0	114.4
230	A	34.2	Very low	33.3	Very low	97 Å²	97	122.8 Å²	122.8	80%	0.802	79%	0.791	S	S	*	*			trans	68.7	155.4	171.9	0	0	0	0	0	117
231	T	33.6	Very low	33.1	Very low	134 Å²	134	122.9 Å²	122.9	82%	0.822	80%	0.798	S	S	*	*			cis	-154.4	179.7	-2.1	-9	0	0	0	0	112.5
232	S	35.2	Very low	32.9	Very low	99 Å²	99	122.8 Å²	122.8	69%	0.692	80%	0.803	S	S	*	*			trans	-36.1	170.3	167	-45.3	0	0	0	0	117.6
233	V	31.9	Very low	32.7	Very low	129 Å²	129	120.1 Å²	120.1	78%	0.782	80%	0.799	S	S	*	*			cis	-155.2	156.2	36.9	-135.4	0	0	0	0	110.4
234	L	35.1	Very low	33	Very low	172 Å²	172	122.4 Å²	122.4	90%	0.901	80%	0.804	S	S	*	*				-170	165.4	85.8	-89.6	174.5	0	0	0	111.8
235	G	30.8	Very low	32.8	Very low	69 Å²	69	123.1 Å²	123.1	71%	0.711	80%	0.804	S	S	*	*			trans	-105.1	-167.6	-165	0	0	0	0	0	118.3
236	P	43.9	Very low	32.7	Very low	128 Å²	128	123.5 Å²	123.5	83%	0.831	81%	0.806	S	S	*	*			trans	-95.5	167.7	-162.9	38	-37.6	0	0	0	115.1
237	L	29.7	Very low	32.6	Very low	181 Å²	181	128.1 Å²	128.1	95%	0.948	81%	0.813	S	S	*	*			trans	-115.8	163.6	167.8	-75.3	176.1	0	0	0	112.9
238	K	29.8	Very low	32.7	Very low	195 Å²	195	134 Å²	134	85%	0.848	82%	0.821	S	S	*	*			trans	-135.7	147	-153.1	-175	-177.9	-179.5	-178.5	0	110.1
239	A	33.7	Very low	32.5	Very low	92 Å²	92	134 Å²	134	76%	0.76	82%	0.815	S	S	*	*			trans	-68.2	149.3	174	0	0	0	0	0	112.3
240	P	39.4	Very low	32.5	Very low	124 Å²	124	139 Å²	139	81%	0.805	82%	0.82	S	S	*	*			trans	-113.1	145.3	148.9	35.5	-27.3	0	0	0	111.3
241	A	28.8	Very low	32.4	Very low	105 Å²	105	138.7 Å²	138.7	87%	0.868	82%	0.818	S	S	*	*			trans	-91.6	157.4	163.1	0	0	0	0	0	110
242	S	30.5	Very low	33.1	Very low	128 Å²	128	138 Å²	138	90%	0.895	82%	0.815	S	S	*	*			trans	-142.8	159.2	162.4	59.7	0	0	0	0	109.8
243	S	31.3	Very low	33.7	Very low	116 Å²	116	139 Å²	139	81%	0.811	82%	0.82	S	S	*	*			trans	-133	149.3	-161.1	51.8	0	0	0	0	113.4
244	S	32.6	Very low	33.5	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	82%	0.82	S	S	*	*			trans	-148.7	78.3	177.7	44.9	0	0	0	0	113.8
245	S	30.1	Very low	33.1	Very low	106 Å²	106	134.4 Å²	134.4	74%	0.741	82%	0.82	S	S	*	*				43.1	114.8	122.9	-53.2	0	0	0	0	122
246	V	32.3	Very low	33.1	Very low	139 Å²	139	138.4 Å²	138.4	84%	0.842	83%	0.825	S	S	*	*			trans	60.1	154.3	152	-91.3	0	0	0	0	119
247	K	30.1	Very low	32.4	Very low	201 Å²	201	137.3 Å²	137.3	87%	0.874	82%	0.82	S	S	*	*			cis	-150.6	171.7	27.8	-138.1	166.3	-168.8	177.7	0	113
248	R	34.7	Very low	32.7	Very low	242 Å²	242	140.4 Å²	140.4	91%	0.913	82%	0.819	S	S	*	*			trans	-90.9	158.5	-176.9	-60.2	173.8	176.1	165.7	-3.8	114.3
249	K	28.2	Very low	33.3	Very low	175 Å²	175	135 Å²	135	76%	0.761	82%	0.819	S	S	*	*			trans	-162.2	99.1	134.4	-146.8	165.7	176.3	179.9	0	110.8
250	E	25.8	Very low	33.4	Very low	169 Å²	169	138.9 Å²	138.9	79%	0.79	82%	0.821	S	S	*	*				101.3	163.1	99.3	-79.2	171	-167.6	0	0	114.4
251	A	32.3	Very low	33.8	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	82%	0.823	S	S	*	*			trans	-145.3	-169.5	-178.7	0	0	0	0	0	106.9
252	P	49.5	Very low	34.7	Very low	119 Å²	119	147.1 Å²	147.1	77%	0.773	82%	0.824	S	S	*	*			cis	-131.7	-134.9	2.6	43.2	-21	0	0	0	109.8
253	P	46.5	Very low	35.9	Very low	121 Å²	121	149.9 Å²	149.9	79%	0.786	82%	0.821	S	S	*	*			cis	-126	177.6	-26.9	35.7	-16.9	0	0	0	115.5
254	G	28.4	Very low	36.7	Very low	77 Å²	77	149.8 Å²	149.8	79%	0.794	81%	0.806	S	S	*	*			trans	-77.3	178.8	-165.6	0	0	0	0	0	120.3
255	S	26.8	Very low	38.3	Very low	126 Å²	126	147.2 Å²	147.2	88%	0.881	79%	0.787	S	S	*	*			trans	-168.4	171.9	152.8	55.9	0	0	0	0	110.9
256	D	30	Very low	39.7	Very low	154 Å²	154	145.4 Å²	145.4	82%	0.824	78%	0.779	S	S	*	*			trans	-68.8	143.4	-170.8	-109.8	-72.8	0	0	0	116.7
257	S	29.7	Very low	40.8	Very low	104 Å²	104	145 Å²	145	73%	0.727	77%	0.771	S	S	*	*				161.7	156.4	103.5	58	0	0	0	0	115.4	G259	S257-G259 PolarHBondContact O-N 2.88Å
258	R	37	Very low	42.3	Very low	247 Å²	247	140.4 Å²	140.4	93%	0.932	75%	0.753	S	S	*	*			trans	16.9	92.8	159.1	-75.2	179.4	164.8	158.4	-4.4	119.7
259	G	41.8	Very low	43.8	Very low	81 Å²	81	134.2 Å²	134.2	84%	0.835	73%	0.734	S	S	*	*				76.5	81.9	110.8	0	0	0	0	0	119.5	S257	S257-G259 PolarHBondContact O-N 2.88Å
260	E	35.8	Very low	45.6	Very low	174 Å²	174	130.8 Å²	130.8	81%	0.813	72%	0.723	S	S	*	*			trans	-105.7	131.6	151.9	-79.5	-154.8	92.5	0	0	111.8	K262	E260-K262 PolarHBondContact O-N 3.2Å
261	K	47.4	Very low	47.7	Very low	195 Å²	195	128.9 Å²	128.9	85%	0.848	72%	0.716	S	S	*	*			trans	-69.1	109.4	164.5	-67.7	175	-179.1	175	0	107.5	K263	K261-K263 PolarHBondContact O-N 2.98Å
262	K	49	Very low	49.3	Very low	206 Å²	206	127.7 Å²	127.7	90%	0.896	70%	0.695	S	S	*	*			trans	-51	112.1	168	-82.7	-175.1	175	179.1	0	108.3	E260 K264	E260-K262 PolarHBondContact O-N 3.2Å; K262-K264 PolarHBondContact O-N 2.96Å; K262-K264 VanDerWaalsContact O-N 3.15Å
263	K	54.8	Low	50.1	Low	187 Å²	187	126.1 Å²	126.1	81%	0.813	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-62.7	116.5	178.8	-64.9	169.1	-174.7	165.9	0	106.6	K261	K261-K263 PolarHBondContact O-N 2.98Å
264	K	47.7	Very low	50.8	Low	114 Å²	114	125 Å²	125	50%	0.496	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-51.1	141.9	175.1	-78.7	-174.4	166.1	-175.9	0	108.8	K262 A266 E272	K262-K264 PolarHBondContact O-N 2.96Å; K262-K264 VanDerWaalsContact O-N 3.15Å; K264-A266 PolarHBondContact O-N 2.97Å; K264-E272 IonicContact NZ-OE1 3.86Å; K264-E272 IonicContact NZ-OE2 2.63Å; K264-E272 PolarHBondContact NZ-OE2 3.49Å
265	S	66.8	Low	52.3	Low	62 Å²	62	125.9 Å²	125.9	43%	0.434	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-63.8	141.2	178.7	-177.8	0	0	0	0	109.3	L267 E268 E269	S265-L267 PolarHBondContact O-N 2.96Å; S265-L267 VanDerWaalsContact O-N 3.1Å; S265-E268 PolarHBondContact N-OE2 3.26Å; S265-E268 WeakPolarHBondContact O-CA 3.24Å; S265-E268 VanDerWaalsContact O-CB 3.32Å; S265-E268 WeakPolarHBondContact O-CB 3.43Å; S265-E268 PolarHBondContact O-N 3.5Å; S265-E269 PolarHBondContact O-N 2.95Å
266	A	59.9	Low	53.8	Low	68 Å²	68	124.9 Å²	124.9	56%	0.562	63%	0.627	S	S	*	*	H	α-helix	trans	-56.2	-31.3	177.7	0	0	0	0	0	112	K264 I270	K264-A266 PolarHBondContact O-N 2.97Å; A266-I270 WeakPolarHBondContact O-CB 3.47Å; A266-I270 WeakPolarHBondContact O-CD1 3.38Å; A266-I270 WeakPolarHBondContact O-CG1 3.37Å; A266-I270 PolarHBondContact O-N 3.26Å
267	L	54.7	Low	55.2	Low	132 Å²	132	124.1 Å²	124.1	69%	0.691	62%	0.616	S	S	*	*	H	α-helix	trans	-67	-35.8	173.5	-71.4	163.8	0	0	0	113.1	S265 M271	S265-L267 PolarHBondContact O-N 2.96Å; S265-L267 VanDerWaalsContact O-N 3.1Å; L267-M271 VanDerWaalsContact O-CB 3.31Å; L267-M271 WeakPolarHBondContact O-CB 3.43Å; L267-M271 PolarHBondContact O-N 3.17Å
268	E	61	Low	56.4	Low	104 Å²	104	124.5 Å²	124.5	49%	0.486	61%	0.605	S	S	.	*	H	α-helix	trans	-74.3	-41.2	179.2	-171.1	-179	-169.3	0	0	110.8	S265 M271 E272	S265-E268 PolarHBondContact N-OE2 3.26Å; S265-E268 WeakPolarHBondContact O-CA 3.24Å; S265-E268 VanDerWaalsContact O-CB 3.32Å; S265-E268 WeakPolarHBondContact O-CB 3.43Å; S265-E268 PolarHBondContact O-N 3.5Å; E268-M271 PolarHBondContact O-N 2.98Å; E268-E272 WeakPolarHBondContact O-CB 3.25Å; E268-E272 PolarHBondContact O-N 2.99Å
269	E	66.4	Low	57.2	Low	112 Å²	112	118.6 Å²	118.6	52%	0.523	59%	0.586	S	S	.	*	H	α-helix	trans	-66.4	-40.2	173.2	-175.6	166.7	-152.3	0	0	112.1	S265 M271 E272 L273	S265-E269 PolarHBondContact O-N 2.95Å; E269-M271 VanDerWaalsContact C-N 3.34Å; E269-M271 PolarHBondContact O-N 3.28Å; E269-E272 PolarHBondContact O-N 3.32Å; E269-L273 HydrophobicContact CG-CD1 4.13Å; E269-L273 WeakPolarHBondContact O-CB 3.41Å; E269-L273 VanDerWaalsContact O-CG 3.23Å; E269-L273 WeakPolarHBondContact O-CG 3.42Å; E269-L273 PolarHBondContact O-N 2.94Å
270	I	65.5	Low	57.8	Low	103 Å²	103	122.2 Å²	122.2	53%	0.528	58%	0.578	S	S	.	*	H	α-helix	trans	-61.6	-42.5	172	-72.7	165.3	0	0	0	110.9	A266 L273 E274	A266-I270 WeakPolarHBondContact O-CB 3.47Å; A266-I270 WeakPolarHBondContact O-CD1 3.38Å; A266-I270 WeakPolarHBondContact O-CG1 3.37Å; A266-I270 PolarHBondContact O-N 3.26Å; I270-L273 PolarHBondContact O-N 3.39Å; I270-E274 WeakPolarHBondContact O-CB 3.35Å; I270-E274 PolarHBondContact O-N 2.63Å
271	M	70.5	Confident	58.3	Low	128 Å²	128	121.3 Å²	121.3	63%	0.631	57%	0.572	S	S	*	*	H	α-helix	trans	-65.8	-43.8	177.7	-168.4	177.2	-63	0	0	111.9	L267 E268 E269 L273 E274 E275	L267-M271 VanDerWaalsContact O-CB 3.31Å; L267-M271 WeakPolarHBondContact O-CB 3.43Å; L267-M271 PolarHBondContact O-N 3.17Å; E268-M271 PolarHBondContact O-N 2.98Å; E269-M271 VanDerWaalsContact C-N 3.34Å; E269-M271 PolarHBondContact O-N 3.28Å; M271-L273 VanDerWaalsContact C-N 3.3Å; M271-L273 PolarHBondContact O-N 3.02Å; M271-E274 WeakPolarHBondContact O-CB 3.31Å; M271-E274 PolarHBondContact O-N 3.06Å; M271-E275 PolarHBondContact O-N 3.42Å
272	E	66.6	Low	58.3	Low	68 Å²	68	118 Å²	118	32%	0.318	56%	0.56	S	S	.	*	H	α-helix	trans	-64.9	-33.7	176.7	-162.9	-176	152.5	0	0	111.8	K264 E268 E269 K276	K264-E272 IonicContact NZ-OE1 3.86Å; K264-E272 IonicContact NZ-OE2 2.63Å; K264-E272 PolarHBondContact NZ-OE2 3.49Å; E268-E272 WeakPolarHBondContact O-CB 3.25Å; E268-E272 PolarHBondContact O-N 2.99Å; E269-E272 PolarHBondContact O-N 3.32Å; E272-K276 HydrophobicContact CG-CD 4.43Å; E272-K276 WeakPolarHBondContact O-CB 3.46Å; E272-K276 WeakPolarHBondContact O-CD 3.31Å; E272-K276 VanDerWaalsContact O-CG 3.22Å; E272-K276 WeakPolarHBondContact O-CG 3.49Å; E272-K276 PolarHBondContact O-N 3.23Å; E272-K276 WeakPolarHBondContact OE1-CE 3.35Å; E272-K276 IonicContact OE1-NZ 3.33Å; E272-K276 PolarHBondContact OE1-NZ 3.2Å
273	L	65.4	Low	58.3	Low	86 Å²	86	110.1 Å²	110.1	45%	0.45	53%	0.53	S	S	.	.	H	α-helix	trans	-74.7	-37.2	173.2	-72.9	170.7	0	0	0	113.1	E269 I270 M271 K277	E269-L273 HydrophobicContact CG-CD1 4.13Å; E269-L273 WeakPolarHBondContact O-CB 3.41Å; E269-L273 VanDerWaalsContact O-CG 3.23Å; E269-L273 WeakPolarHBondContact O-CG 3.42Å; E269-L273 PolarHBondContact O-N 2.94Å; I270-L273 PolarHBondContact O-N 3.39Å; M271-L273 VanDerWaalsContact C-N 3.3Å; M271-L273 PolarHBondContact O-N 3.02Å; L273-K277 VanDerWaalsContact O-CB 3.31Å; L273-K277 WeakPolarHBondContact O-CB 3.29Å; L273-K277 VanDerWaalsContact O-CG 3.25Å; L273-K277 WeakPolarHBondContact O-CG 3.42Å; L273-K277 PolarHBondContact O-N 2.86Å
274	E	62.7	Low	58	Low	97 Å²	97	105.2 Å²	105.2	45%	0.453	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-46.1	169.8	-94.1	-104	123.5	0	0	110.9	I270 M271 K277 K278	I270-E274 WeakPolarHBondContact O-CB 3.35Å; I270-E274 PolarHBondContact O-N 2.63Å; M271-E274 WeakPolarHBondContact O-CB 3.31Å; M271-E274 PolarHBondContact O-N 3.06Å; E274-K277 CarbonylContact O-C 3.55Å; E274-K277 PolarHBondContact O-N 2.59Å; E274-K278 WeakPolarHBondContact O-CB 3.33Å; E274-K278 WeakPolarHBondContact O-CG 3.38Å; E274-K278 PolarHBondContact O-N 2.77Å; E274-K278 IonicContact OE2-NZ 2.7Å; E274-K278 PolarHBondContact OE2-NZ 2.85Å
275	E	59.5	Low	57.9	Low	95 Å²	95	103.9 Å²	103.9	44%	0.444	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-46.1	175.3	-79.2	-145.4	167.3	0	0	112.2	M271 K277 K278 K279	M271-E275 PolarHBondContact O-N 3.42Å; E275-K277 PolarHBondContact O-N 3.22Å; E275-K278 PolarHBondContact O-N 2.94Å; E275-K278 VanDerWaalsContact O-N 3.16Å; E275-K279 VanDerWaalsContact O-CB 3.31Å; E275-K279 WeakPolarHBondContact O-CB 3.07Å; E275-K279 WeakPolarHBondContact O-CG 3.48Å; E275-K279 PolarHBondContact O-N 3.02Å; E275-K279 IonicContact OE2-NZ 2.98Å; E275-K279 PolarHBondContact OE2-NZ 3.26Å
276	K	57.9	Low	57.4	Low	106 Å²	106	104.4 Å²	104.4	46%	0.461	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-32.5	175.6	-74.2	168.5	-173.6	172.5	0	111.7	E272 K280	E272-K276 HydrophobicContact CG-CD 4.43Å; E272-K276 WeakPolarHBondContact O-CB 3.46Å; E272-K276 WeakPolarHBondContact O-CD 3.31Å; E272-K276 VanDerWaalsContact O-CG 3.22Å; E272-K276 WeakPolarHBondContact O-CG 3.49Å; E272-K276 PolarHBondContact O-N 3.23Å; E272-K276 WeakPolarHBondContact OE1-CE 3.35Å; E272-K276 IonicContact OE1-NZ 3.33Å; E272-K276 PolarHBondContact OE1-NZ 3.2Å; K276-K280 VanDerWaalsContact O-CB 3.29Å; K276-K280 WeakPolarHBondContact O-CB 3.37Å; K276-K280 VanDerWaalsContact O-CG 3.32Å; K276-K280 WeakPolarHBondContact O-CG 3.25Å; K276-K280 PolarHBondContact O-N 2.9Å
277	K	58.3	Low	57.7	Low	138 Å²	138	107 Å²	107	60%	0.6	53%	0.525	S	S	*	.	H	α-helix	trans	-72.3	-38.5	171.5	-76.9	170.7	-179.5	173.3	0	112.8	L273 E274 E275 K281	L273-K277 VanDerWaalsContact O-CB 3.31Å; L273-K277 WeakPolarHBondContact O-CB 3.29Å; L273-K277 VanDerWaalsContact O-CG 3.25Å; L273-K277 WeakPolarHBondContact O-CG 3.42Å; L273-K277 PolarHBondContact O-N 2.86Å; E274-K277 CarbonylContact O-C 3.55Å; E274-K277 PolarHBondContact O-N 2.59Å; E275-K277 PolarHBondContact O-N 3.22Å; K277-K281 WeakPolarHBondContact O-CB 3.21Å; K277-K281 WeakPolarHBondContact O-CG 3.37Å; K277-K281 PolarHBondContact O-N 3.07Å
278	K	55.8	Low	58.7	Low	111 Å²	111	102.4 Å²	102.4	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-66.7	-47.6	174.8	-79.3	163.7	173.3	155.5	0	110.9	E274 E275 K280 K281 Q282	E274-K278 WeakPolarHBondContact O-CB 3.33Å; E274-K278 WeakPolarHBondContact O-CG 3.38Å; E274-K278 PolarHBondContact O-N 2.77Å; E274-K278 IonicContact OE2-NZ 2.7Å; E274-K278 PolarHBondContact OE2-NZ 2.85Å; E275-K278 PolarHBondContact O-N 2.94Å; E275-K278 VanDerWaalsContact O-N 3.16Å; K278-K280 PolarHBondContact O-N 3.03Å; K278-K281 PolarHBondContact O-N 3.19Å; K278-K281 VanDerWaalsContact O-N 3.16Å; K278-Q282 WeakPolarHBondContact O-CB 3.32Å; K278-Q282 WeakPolarHBondContact O-CG 3.36Å; K278-Q282 PolarHBondContact O-N 2.88Å
279	K	54.1	Low	59.6	Low	123 Å²	123	102.9 Å²	102.9	54%	0.535	51%	0.509	S	S	.	.	H	α-helix	trans	-58.8	-43.6	172.6	-71.9	168.1	176.4	157.1	0	111.5	E275 Q282 S283	E275-K279 VanDerWaalsContact O-CB 3.31Å; E275-K279 WeakPolarHBondContact O-CB 3.07Å; E275-K279 WeakPolarHBondContact O-CG 3.48Å; E275-K279 PolarHBondContact O-N 3.02Å; E275-K279 IonicContact OE2-NZ 2.98Å; E275-K279 PolarHBondContact OE2-NZ 3.26Å; K279-Q282 PolarHBondContact O-N 3.19Å; K279-S283 WeakPolarHBondContact O-CB 3.35Å; K279-S283 PolarHBondContact O-N 2.92Å; K279-S283 PolarHBondContact O-OG 2.63Å
280	K	54.3	Low	60.5	Low	157 Å²	157	100.7 Å²	100.7	68%	0.683	50%	0.496	S	S	*	.	H	α-helix	trans	-66	-36.9	172.5	-78.9	-169.8	176.8	-167.4	0	114.1	K276 K278 S283 S284	K276-K280 VanDerWaalsContact O-CB 3.29Å; K276-K280 WeakPolarHBondContact O-CB 3.37Å; K276-K280 VanDerWaalsContact O-CG 3.32Å; K276-K280 WeakPolarHBondContact O-CG 3.25Å; K276-K280 PolarHBondContact O-N 2.9Å; K278-K280 PolarHBondContact O-N 3.03Å; K280-S283 WeakPolarHBondContact CA-OG 3.33Å; K280-S283 PolarHBondContact O-OG 3.34Å; K280-S284 WeakPolarHBondContact O-CB 3.21Å; K280-S284 PolarHBondContact O-N 2.9Å; K280-S284 PolarHBondContact O-OG 3.38Å; K280-S284 VanDerWaalsContact O-OG 3.12Å
281	K	46.4	Very low	61.7	Low	155 Å²	155	97.8 Å²	97.8	67%	0.674	48%	0.479	S	S	*	.	H	α-helix	trans	-68.8	-39	175	-80.6	-176.4	174.2	-171.1	0	112.1	K277 K278 S284 A285	K277-K281 WeakPolarHBondContact O-CB 3.21Å; K277-K281 WeakPolarHBondContact O-CG 3.37Å; K277-K281 PolarHBondContact O-N 3.07Å; K278-K281 PolarHBondContact O-N 3.19Å; K278-K281 VanDerWaalsContact O-N 3.16Å; K281-S284 WeakPolarHBondContact CA-OG 3.16Å; K281-S284 PolarHBondContact O-N 3.04Å; K281-S284 PolarHBondContact O-OG 3.13Å; K281-A285 WeakPolarHBondContact O-CB 3.16Å; K281-A285 PolarHBondContact O-N 3.39Å
282	Q	47.3	Very low	62.6	Low	127 Å²	127	91.8 Å²	91.8	59%	0.593	45%	0.449	S	S	*	.	H	α-helix	trans	-67.8	-44.6	173.9	-74.5	170.9	-40.3	0	0	111	K278 K279 S284 A285 V286	K278-Q282 WeakPolarHBondContact O-CB 3.32Å; K278-Q282 WeakPolarHBondContact O-CG 3.36Å; K278-Q282 PolarHBondContact O-N 2.88Å; K279-Q282 PolarHBondContact O-N 3.19Å; Q282-S284 VanDerWaalsContact C-N 3.3Å; Q282-S284 PolarHBondContact O-N 3.05Å; Q282-A285 CarbonylContact O-C 3.5Å; Q282-A285 WeakPolarHBondContact O-CA 3.47Å; Q282-A285 PolarHBondContact O-N 3Å; Q282-V286 WeakPolarHBondContact O-CG2 3.36Å; Q282-V286 PolarHBondContact O-N 3.5Å
283	S	49.3	Very low	63.6	Low	39 Å²	39	90.3 Å²	90.3	27%	0.273	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-35.2	175	70.7	0	0	0	0	112.4	K279 K280 A285 V286 R287	K279-S283 WeakPolarHBondContact O-CB 3.35Å; K279-S283 PolarHBondContact O-N 2.92Å; K279-S283 PolarHBondContact O-OG 2.63Å; K280-S283 WeakPolarHBondContact CA-OG 3.33Å; K280-S283 PolarHBondContact O-OG 3.34Å; S283-A285 VanDerWaalsContact C-N 3.3Å; S283-A285 PolarHBondContact O-N 2.8Å; S283-V286 PolarHBondContact O-N 2.96Å; S283-R287 PolarHBondContact O-N 2.96Å
284	S	46.8	Very low	64.8	Low	85 Å²	85	88.6 Å²	88.6	59%	0.594	44%	0.436	S	S	*	.	H	α-helix	trans	-71.4	-20.6	171.6	61.4	0	0	0	0	114.4	K280 K281 Q282	K280-S284 WeakPolarHBondContact O-CB 3.21Å; K280-S284 PolarHBondContact O-N 2.9Å; K280-S284 PolarHBondContact O-OG 3.38Å; K280-S284 VanDerWaalsContact O-OG 3.12Å; K281-S284 WeakPolarHBondContact CA-OG 3.16Å; K281-S284 PolarHBondContact O-N 3.04Å; K281-S284 PolarHBondContact O-OG 3.13Å; Q282-S284 VanDerWaalsContact C-N 3.3Å; Q282-S284 PolarHBondContact O-N 3.05Å
285	A	45.8	Very low	66.1	Low	85 Å²	85	88.9 Å²	88.9	70%	0.702	44%	0.441	S	S	*	.	H	α-helix	trans	-86.9	-17.7	173.3	0	0	0	0	0	112.9	K281 Q282 S283	K281-A285 WeakPolarHBondContact O-CB 3.16Å; K281-A285 PolarHBondContact O-N 3.39Å; Q282-A285 CarbonylContact O-C 3.5Å; Q282-A285 WeakPolarHBondContact O-CA 3.47Å; Q282-A285 PolarHBondContact O-N 3Å; S283-A285 VanDerWaalsContact C-N 3.3Å; S283-A285 PolarHBondContact O-N 2.8Å
286	V	57.7	Low	67.7	Low	74 Å²	74	84.4 Å²	84.4	45%	0.448	42%	0.42	S	S	.	.	H	α-helix	trans	-97.1	-20.9	177.4	174.3	0	0	0	0	112.3	Q282 S283 T288 G359	Q282-V286 WeakPolarHBondContact O-CG2 3.36Å; Q282-V286 PolarHBondContact O-N 3.5Å; S283-V286 PolarHBondContact O-N 2.96Å; V286-T288 PolarHBondContact O-N 2.65Å; V286-G359 WeakPolarHBondContact CG1-O 3.37Å
287	R	66.3	Low	69.4	Low	122 Å²	122	79.5 Å²	79.5	46%	0.46	40%	0.399	S	S	.	.			trans	-64.5	109.5	177.2	-162	178.8	-161.7	-158.6	0.3	110.4	S283 N358 E397 D398	S283-R287 PolarHBondContact O-N 2.96Å; R287-N358 WeakPolarHBondContact CA-OD1 3.4Å; R287-N358 WeakPolarHBondContact CG-ND2 3.34Å; R287-N358 WeakPolarHBondContact CG-OD1 3.35Å; R287-E397 IonicContact CZ-OE2 2.71Å; R287-E397 IonicContact NH1-OE2 2.66Å; R287-E397 IonicContact NH2-OE2 2.61Å; R287-E397 PolarHBondContact NH2-OE2 2.98Å; R287-D398 IonicContact CZ-OD1 2.95Å; R287-D398 IonicContact CZ-OD2 3.33Å; R287-D398 IonicContact NE-OD1 3.99Å; R287-D398 PolarHBondContact NE-OD1 2.67Å; R287-D398 IonicContact NE-OD2 3.64Å; R287-D398 IonicContact NH2-OD1 3.52Å; R287-D398 PolarHBondContact NH2-OD1 2.88Å; R287-D398 IonicContact NH2-OD2 2.68Å; R287-D398 PolarHBondContact NH2-OD2 3.06Å
288	T	75.2	Confident	71.1	Confident	35 Å²	35	73 Å²	73	22%	0.215	37%	0.37	C	S	.	.			trans	-86.9	145.6	176.9	48.3	0	0	0	0	111.1	V286 Y290 N358 R362	V286-T288 PolarHBondContact O-N 2.65Å; T288-Y290 VanDerWaalsContact C-N 3.26Å; T288-Y290 HydrophobicContact CG2-CE1 3.83Å; T288-Y290 PolarHBondContact O-N 3.33Å; T288-Y290 PolarHBondContact OG1-O 3.09Å; T288-N358 PolarHBondContact N-OD1 3.41Å; T288-N358 PolarHBondContact O-ND2 3.5Å; T288-N358 PolarHBondContact OG1-OD1 3.29Å; T288-R362 PolarHBondContact OG1-NH1 2.87Å
289	D	80.6	Confident	72.9	Confident	115 Å²	115	70.5 Å²	70.5	62%	0.615	36%	0.359	S	S	*	.	S	Bend	trans	-67.8	-25.3	174.8	-178.9	59	0	0	0	113.1	Y323 Q340	D289-Y323 WeakPolarHBondContact OD2-CE1 3.41Å; D289-Y323 VanDerWaalsContact OD2-CZ 3.28Å; D289-Y323 PolarHBondContact OD2-OH 3.49Å; D289-Q340 PolarHBondContact O-NE2 3.47Å
290	Y	85.6	Confident	74.7	Confident	66 Å²	66	64.6 Å²	64.6	26%	0.259	33%	0.334	S	S	.	.			trans	-96.4	127	171.7	59.8	-79.4	0	0	0	111.2	T288 K322 R362	T288-Y290 VanDerWaalsContact C-N 3.26Å; T288-Y290 HydrophobicContact CG2-CE1 3.83Å; T288-Y290 PolarHBondContact O-N 3.33Å; T288-Y290 PolarHBondContact OG1-O 3.09Å; Y290-K322 HydrophobicContact CD1-CD 4.37Å; Y290-K322 HydrophobicContact CD2-CB 4.08Å; Y290-K322 HydrophobicContact CD2-CG 4.48Å; Y290-K322 HydrophobicContact CE1-CD 4.23Å; Y290-K322 HydrophobicContact CE2-CD 4.38Å; Y290-K322 HydrophobicContact CG-CB 4.02Å; Y290-R362 PolarHBondContact O-NH1 3.36Å
291	W	89.3	Confident	76.4	Confident	42 Å²	42	59.7 Å²	59.7	16%	0.159	32%	0.317	C	S	.	.			trans	-116.7	-9.2	-178.3	60.6	-96.8	0	0	0	113.9	Q293 V298 Q340 L343 T345 L357	W291-Q293 PolarHBondContact O-N 3.09Å; W291-V298 HydrophobicContact CH2-CG1 4.32Å; W291-V298 HydrophobicContact CZ3-CG1 4.17Å; W291-Q340 HydrophobicContact CZ2-CB 4.26Å; W291-L343 HydrophobicContact CH2-CB 4Å; W291-L343 HydrophobicContact CZ2-CB 4.33Å; W291-T345 HydrophobicContact CE3-CG2 4.19Å; W291-T345 HydrophobicContact CH2-CG2 4.26Å; W291-T345 HydrophobicContact CZ3-CG2 3.82Å; W291-L357 HydrophobicContact CE3-CD1 3.92Å; W291-L357 HydrophobicContact CZ3-CD1 4.4Å; W291-L357 WeakPolarHBondContact O-CB 3.5Å
292	L	89.8	Confident	78.3	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	29%	0.289	C	S	.	.			trans	-65.9	134.6	179.9	-71.1	172.8	0	0	0	112.1	V319 Y323 A325 Q340 L343	L292-V319 HydrophobicContact CB-CG1 4.03Å; L292-V319 HydrophobicContact CB-CG2 4.05Å; L292-Y323 WeakPolarHBondContact CD1-O 3.35Å; L292-A325 HydrophobicContact CD1-CB 3.87Å; L292-A325 HydrophobicContact CD2-CB 4.18Å; L292-Q340 HydrophobicContact CD1-CB 3.66Å; L292-Q340 HydrophobicContact CD2-CB 4.46Å; L292-Q340 HydrophobicContact CG-CB 3.84Å; L292-L343 HydrophobicContact CD2-CD1 3.89Å
293	Q	87.5	Confident	80.1	Confident	37 Å²	37	53.4 Å²	53.4	17%	0.173	29%	0.289	C	S	.	.			trans	-135.1	157.6	168.4	-72.9	-65.6	22.1	0	0	110.5	W291 I296 V316 L355 L357 D363	W291-Q293 PolarHBondContact O-N 3.09Å; Q293-I296 WeakPolarHBondContact O-CD1 3.25Å; Q293-I296 WeakPolarHBondContact O-CG1 3.45Å; Q293-V316 WeakPolarHBondContact O-CB 2.85Å; Q293-V316 VanDerWaalsContact O-CG1 3.31Å; Q293-V316 WeakPolarHBondContact O-CG1 3.48Å; Q293-L355 HydrophobicContact CB-CD2 3.98Å; Q293-L355 HydrophobicContact CG-CD2 4.47Å; Q293-L357 HydrophobicContact CB-CD2 3.91Å; Q293-L357 HydrophobicContact CG-CD2 4.01Å; Q293-D363 PolarHBondContact NE2-OD1 2.93Å; Q293-D363 PolarHBondContact NE2-OD2 3.46Å; Q293-D363 VanDerWaalsContact NE2-OD2 3.1Å
294	P	90.3	Very high	81.5	Confident	49 Å²	49	59.8 Å²	59.8	32%	0.318	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	166.3	172.5	31.6	-35.7	0	0	0	111.8	I296	P294-I296 VanDerWaalsContact C-N 3.25Å; P294-I296 PolarHBondContact O-N 2.75Å
295	N	90.8	Very high	82.7	Confident	104 Å²	104	59.2 Å²	59.2	56%	0.556	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	23.9	174.8	-54.1	-32	0	0	0	115.4	V316 A403	N295-V316 PolarHBondContact N-O 2.63Å; N295-A403 VanDerWaalsContact O-CB 3.31Å; N295-A403 WeakPolarHBondContact O-CB 3.44Å; N295-A403 PolarHBondContact O-N 3.12Å
296	I	93.4	Very high	84.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-110.4	152.6	171.6	68.1	-178	0	0	0	111.8	Q293 P294 V298 V315 V316 L355 L357 K401	Q293-I296 WeakPolarHBondContact O-CD1 3.25Å; Q293-I296 WeakPolarHBondContact O-CG1 3.45Å; P294-I296 VanDerWaalsContact C-N 3.25Å; P294-I296 PolarHBondContact O-N 2.75Å; I296-V298 HydrophobicContact CD1-CG1 4.18Å; I296-V298 HydrophobicContact CG1-CG1 4.19Å; I296-V315 WeakPolarHBondContact O-CA 3.32Å; I296-V316 HydrophobicContact CD1-CG2 4.3Å; I296-V316 HydrophobicContact CG1-CB 4.13Å; I296-V316 HydrophobicContact CG1-CG2 3.67Å; I296-V316 PolarHBondContact O-N 3.04Å; I296-L355 HydrophobicContact CG2-CB 3.95Å; I296-L355 HydrophobicContact CG2-CD2 3.73Å; I296-L355 HydrophobicContact CG2-CG 4.47Å; I296-L357 HydrophobicContact CD1-CD1 3.88Å; I296-L357 HydrophobicContact CD1-CD2 3.97Å; I296-L357 HydrophobicContact CG2-CD2 4.19Å; I296-K401 WeakPolarHBondContact CA-O 3.15Å
297	V	93.4	Very high	85	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.6	168	-167.7	0	0	0	0	109.1	K313 A314 I330 V346 S400 K401 A403	V297-K313 HydrophobicContact CG1-CB 4.27Å; V297-A314 WeakPolarHBondContact CA-O 3.07Å; V297-I330 HydrophobicContact CG1-CD1 4.19Å; V297-V346 HydrophobicContact CB-CB 4.32Å; V297-V346 HydrophobicContact CG1-CB 4.25Å; V297-V346 HydrophobicContact CG1-CG1 4.3Å; V297-V346 HydrophobicContact CG1-CG2 4.17Å; V297-S400 PolarHBondContact O-OG 3.01Å; V297-K401 HydrophobicContact CB-CB 4.32Å; V297-K401 HydrophobicContact CB-CD 4.48Å; V297-K401 HydrophobicContact CG2-CB 4.33Å; V297-K401 HydrophobicContact CG2-CD 3.88Å; V297-K401 HydrophobicContact CG2-CG 4.08Å; V297-K401 PolarHBondContact N-O 2.85Å; V297-A403 HydrophobicContact CG2-CB 4.38Å
298	V	94.4	Very high	85.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.9	173.8	-70.9	0	0	0	0	110.2	W291 I296 K313 A314 V316 V327 L343 E344	W291-V298 HydrophobicContact CH2-CG1 4.32Å; W291-V298 HydrophobicContact CZ3-CG1 4.17Å; I296-V298 HydrophobicContact CD1-CG1 4.18Å; I296-V298 HydrophobicContact CG1-CG1 4.19Å; V298-K313 WeakPolarHBondContact O-CA 3.22Å; V298-A314 PolarHBondContact N-O 3.35Å; V298-A314 PolarHBondContact O-N 2.87Å; V298-V316 HydrophobicContact CG1-CG2 3.95Å; V298-V316 HydrophobicContact CG2-CG2 3.8Å; V298-V327 HydrophobicContact CG2-CG1 3.98Å; V298-L343 HydrophobicContact CB-CB 4.44Å; V298-L343 HydrophobicContact CB-CD2 4.33Å; V298-L343 HydrophobicContact CG2-CD1 4.33Å; V298-L343 HydrophobicContact CG2-CD2 3.88Å; V298-E344 CarbonylContact C-O 3.57Å; V298-E344 WeakPolarHBondContact CA-O 3.5Å
299	K	93.4	Very high	86	Confident	59 Å²	59	60.2 Å²	60.2	26%	0.257	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131	176.9	168.5	-177	166.3	-146.3	0	108.8	K312 L343 E344 V346	K299-K312 WeakPolarHBondContact CA-O 3.29Å; K299-L343 CarbonylContact O-C 3.56Å; K299-L343 WeakPolarHBondContact O-CA 3.47Å; K299-E344 HydrophobicContact CB-CB 4.21Å; K299-E344 WeakPolarHBondContact CD-OE2 3.42Å; K299-E344 WeakPolarHBondContact CE-OE2 3.08Å; K299-E344 PolarHBondContact N-O 3.12Å; K299-E344 IonicContact NZ-OE1 3.98Å; K299-E344 PolarHBondContact NZ-OE1 3.1Å; K299-E344 IonicContact NZ-OE2 3.96Å; K299-E344 PolarHBondContact NZ-OE2 3.38Å; K299-E344 PolarHBondContact O-N 2.92Å; K299-V346 HydrophobicContact CB-CG2 3.76Å
300	I	91.9	Very high	86.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.3	-176.3	-61.1	173.2	0	0	0	109	T302 Y309 K311 K312 A314 V327 L329 L336 L338 L343	I300-T302 HydrophobicContact CG2-CG2 3.9Å; I300-Y309 WeakPolarHBondContact CB-O 3.17Å; I300-K311 WeakPolarHBondContact O-CA 3.43Å; I300-K311 PolarHBondContact O-N 3.31Å; I300-K312 PolarHBondContact N-O 3.3Å; I300-A314 HydrophobicContact CD1-CB 4.05Å; I300-A314 HydrophobicContact CG1-CB 4.39Å; I300-V327 HydrophobicContact CD1-CG2 4.23Å; I300-L329 HydrophobicContact CD1-CD1 3.67Å; I300-L329 HydrophobicContact CD1-CG 4.29Å; I300-L336 HydrophobicContact CD1-CD1 4.2Å; I300-L338 HydrophobicContact CB-CD1 4.46Å; I300-L338 HydrophobicContact CD1-CD1 3.97Å; I300-L338 HydrophobicContact CG1-CD1 3.86Å; I300-L338 HydrophobicContact CG2-CD1 3.85Å; I300-L343 HydrophobicContact CG1-CD2 3.97Å
301	V	89.8	Confident	86.4	Confident	54 Å²	54	61 Å²	61	33%	0.327	30%	0.295	S	S	.	.			trans	-100.6	-10.3	-178.4	-66.1	0	0	0	0	114	H310 H342 E344	V301-H310 PolarHBondContact O-CD2 3.39Å; V301-H342 VanDerWaalsContact CG2-C 3.48Å; V301-H342 WeakPolarHBondContact CG2-O 3.44Å; V301-H342 PolarHBondContact N-O 3.14Å; V301-E344 HydrophobicContact CG1-CB 3.77Å; V301-E344 WeakPolarHBondContact CG1-OE2 3.46Å
302	T	86.1	Confident	86.5	Confident	12 Å²	12	61.7 Å²	61.7	7%	0.074	30%	0.299	C	S	.	.			trans	-73.2	136.6	178.9	-168.6	0	0	0	0	113.1	I300 K304 L305 L338 H342	I300-T302 HydrophobicContact CG2-CG2 3.9Å; T302-K304 WeakPolarHBondContact OG1-CB 3.21Å; T302-K304 PolarHBondContact OG1-N 3.19Å; T302-L305 HydrophobicContact CG2-CD1 4.22Å; T302-L338 HydrophobicContact CG2-CD2 3.92Å; T302-H342 VanDerWaalsContact CB-CD2 3.48Å; T302-H342 WeakPolarHBondContact CB-CD2 3.44Å; T302-H342 HydrophobicContact CG2-CB 4.07Å; T302-H342 PolarHBondContact OG1-CD2 3.38Å
303	K	84.9	Confident	86.6	Confident	138 Å²	138	67 Å²	67	60%	0.6	32%	0.322	S	S	*	.	S	Bend	trans	-87.4	-13.1	167.9	-60.3	-174.1	-178.9	-173.6	0	113	L305 G306	K303-L305 PolarHBondContact O-N 2.88Å; K303-G306 PolarHBondContact O-N 3.38Å
304	K	78.6	Confident	86.9	Confident	173 Å²	173	65.2 Å²	65.2	75%	0.752	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.4	-169.9	-64.5	177.4	-179.6	167.4	0	114.4	T302 H342	T302-K304 WeakPolarHBondContact OG1-CB 3.21Å; T302-K304 PolarHBondContact OG1-N 3.19Å; K304-H342 PolarHBondContact NZ-NE2 2.81Å
305	L	72.1	Confident	87.1	Confident	72 Å²	72	64.5 Å²	64.5	38%	0.377	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	11.2	177.6	-66.7	165.3	0	0	0	112.9	T302 K303 Y309 L336 L338	T302-L305 HydrophobicContact CG2-CD1 4.22Å; K303-L305 PolarHBondContact O-N 2.88Å; L305-Y309 HydrophobicContact CB-CD2 3.92Å; L305-Y309 WeakPolarHBondContact O-CD2 3.18Å; L305-L336 HydrophobicContact CD1-CD1 4.24Å; L305-L338 HydrophobicContact CD1-CD2 3.63Å; L305-L338 HydrophobicContact CD1-CG 4.29Å
306	G	74.4	Confident	87.2	Confident	31 Å²	31	59.5 Å²	59.5	32%	0.32	28%	0.282	S	S	.	.			trans	90.6	152.4	-176.8	0	0	0	0	0	113.3	K303 K308 Y309	K303-G306 PolarHBondContact O-N 3.38Å; G306-K308 PolarHBondContact O-N 3.38Å; G306-K308 VanDerWaalsContact O-N 3.13Å; G306-Y309 PolarHBondContact O-N 3Å
307	E	78.3	Confident	87.2	Confident	156 Å²	156	64 Å²	64	73%	0.729	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62	-25.2	-173.5	-56.1	-166.5	134.9	0	0	113.1	Y309 H310	E307-Y309 PolarHBondContact O-N 2.97Å; E307-H310 PolarHBondContact O-N 3.02Å
308	K	79.7	Confident	87	Confident	130 Å²	130	68.2 Å²	68.2	57%	0.565	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-54.8	-16.3	174.7	59.1	160.1	173.1	161.8	0	115.7	G306 K312	G306-K308 PolarHBondContact O-N 3.38Å; G306-K308 VanDerWaalsContact O-N 3.13Å; K308-K312 VanDerWaalsContact O-CD 3.29Å; K308-K312 WeakPolarHBondContact O-CD 3.2Å; K308-K312 WeakPolarHBondContact O-CE 3.19Å; K308-K312 PolarHBondContact O-NZ 2.69Å
309	Y	81.9	Confident	86.8	Confident	21 Å²	21	70.3 Å²	70.3	8%	0.082	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-117.7	-10.7	177.9	-56.9	-45	0	0	0	114	I300 L305 G306 E307 K312 L329 D334 L336	I300-Y309 WeakPolarHBondContact CB-O 3.17Å; L305-Y309 HydrophobicContact CB-CD2 3.92Å; L305-Y309 WeakPolarHBondContact O-CD2 3.18Å; G306-Y309 PolarHBondContact O-N 3Å; E307-Y309 PolarHBondContact O-N 2.97Å; Y309-K312 PolarHBondContact O-N 2.94Å; Y309-L329 HydrophobicContact CD1-CD2 3.42Å; Y309-L329 VanDerWaalsContact CD1-CD2 3.42Å; Y309-L329 HydrophobicContact CE1-CD2 3.9Å; Y309-L329 HydrophobicContact CG-CD2 4.41Å; Y309-D334 HydrophobicContact CE1-CB 4.47Å; Y309-D334 WeakPolarHBondContact CE1-OD2 3.2Å; Y309-D334 VanDerWaalsContact CZ-OD2 3.24Å; Y309-D334 PolarHBondContact OH-OD2 3.41Å; Y309-L336 HydrophobicContact CD2-CD1 4.16Å; Y309-L336 HydrophobicContact CE2-CD1 4.41Å; Y309-L336 HydrophobicContact CE2-CD2 4.39Å; Y309-L336 HydrophobicContact CG-CD1 4.23Å
310	H	86.6	Confident	86.3	Confident	52 Å²	52	71 Å²	71	24%	0.241	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	135	-179.2	171.3	-115.7	0	0	0	110.8	V301 E307 K312	V301-H310 PolarHBondContact O-CD2 3.39Å; E307-H310 PolarHBondContact O-N 3.02Å; H310-K312 PolarHBondContact O-N 2.91Å
311	K	87.9	Confident	85.5	Confident	144 Å²	144	78 Å²	78	63%	0.626	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	3.9	-173.3	-60.5	179.1	176.4	-178.8	0	116.2	I300	I300-K311 WeakPolarHBondContact O-CA 3.43Å; I300-K311 PolarHBondContact O-N 3.31Å
312	K	91	Very high	85	Confident	57 Å²	57	81.2 Å²	81.2	25%	0.248	38%	0.381	C	S	.	.			trans	-74.3	156.7	175.3	-75.9	-168	169.3	167.4	0	112.7	K299 I300 K308 Y309 H310 L329 D331 S332	K299-K312 WeakPolarHBondContact CA-O 3.29Å; I300-K312 PolarHBondContact N-O 3.3Å; K308-K312 VanDerWaalsContact O-CD 3.29Å; K308-K312 WeakPolarHBondContact O-CD 3.2Å; K308-K312 WeakPolarHBondContact O-CE 3.19Å; K308-K312 PolarHBondContact O-NZ 2.69Å; Y309-K312 PolarHBondContact O-N 2.94Å; H310-K312 PolarHBondContact O-N 2.91Å; K312-L329 HydrophobicContact CB-CD2 4.23Å; K312-L329 HydrophobicContact CD-CD2 3.7Å; K312-D331 WeakPolarHBondContact CD-OD2 3.15Å; K312-D331 VanDerWaalsContact CE-OD2 3.3Å; K312-D331 WeakPolarHBondContact CE-OD2 3.25Å; K312-D331 WeakPolarHBondContact CG-OD2 2.99Å; K312-S332 PolarHBondContact NZ-OG 3.07Å
313	K	92.7	Very high	84.9	Confident	113 Å²	113	84.8 Å²	84.8	49%	0.491	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.4	176.6	-64.8	177.4	-177.8	175.9	0	110.9	V297 V298 I330	V297-K313 HydrophobicContact CG1-CB 4.27Å; V298-K313 WeakPolarHBondContact O-CA 3.22Å; K313-I330 HydrophobicContact CB-CD1 3.99Å; K313-I330 PolarHBondContact O-N 2.94Å; K313-I330 VanDerWaalsContact O-N 3.13Å
314	A	93.3	Very high	85	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.2	179	0	0	0	0	0	110.5	V297 V298 I300 V327 K328 L329	V297-A314 WeakPolarHBondContact CA-O 3.07Å; V298-A314 PolarHBondContact N-O 3.35Å; V298-A314 PolarHBondContact O-N 2.87Å; I300-A314 HydrophobicContact CD1-CB 4.05Å; I300-A314 HydrophobicContact CG1-CB 4.39Å; A314-V327 HydrophobicContact CB-CB 3.89Å; A314-V327 HydrophobicContact CB-CG2 4.01Å; A314-K328 CarbonylContact C-O 3.56Å; A314-K328 WeakPolarHBondContact CA-O 3.49Å; A314-K328 WeakPolarHBondContact CB-O 3.2Å; A314-L329 HydrophobicContact CB-CD1 4.32Å; A314-L329 HydrophobicContact CB-CG 4.39Å
315	V	94.6	Very high	85.6	Confident	34 Å²	34	70.4 Å²	70.4	21%	0.206	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131	174.6	174.6	0	0	0	0	109.2	I296 M317 V327 K328 I330 A403	I296-V315 WeakPolarHBondContact O-CA 3.32Å; V315-M317 PolarHBondContact O-N 3.06Å; V315-V327 CarbonylContact O-C 3.58Å; V315-V327 VanDerWaalsContact O-CA 3.32Å; V315-V327 WeakPolarHBondContact O-CA 2.89Å; V315-K328 PolarHBondContact N-O 3.46Å; V315-K328 PolarHBondContact O-N 3.49Å; V315-I330 HydrophobicContact CG2-CD1 4.24Å; V315-I330 HydrophobicContact CG2-CG1 4.13Å; V315-A403 HydrophobicContact CB-CB 4.46Å; V315-A403 HydrophobicContact CG1-CB 3.61Å; V315-A403 HydrophobicContact CG2-CB 4.01Å
316	V	93.9	Very high	86.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	114.8	171.5	-174.9	0	0	0	0	108.9	Q293 N295 I296 V298 V319 A325 V327	Q293-V316 WeakPolarHBondContact O-CB 2.85Å; Q293-V316 VanDerWaalsContact O-CG1 3.31Å; Q293-V316 WeakPolarHBondContact O-CG1 3.48Å; N295-V316 PolarHBondContact N-O 2.63Å; I296-V316 HydrophobicContact CD1-CG2 4.3Å; I296-V316 HydrophobicContact CG1-CB 4.13Å; I296-V316 HydrophobicContact CG1-CG2 3.67Å; I296-V316 PolarHBondContact O-N 3.04Å; V298-V316 HydrophobicContact CG1-CG2 3.95Å; V298-V316 HydrophobicContact CG2-CG2 3.8Å; V316-V319 HydrophobicContact CG1-CG2 3.89Å; V316-A325 HydrophobicContact CG1-CB 3.88Å; V316-A325 HydrophobicContact CG2-CB 4.37Å; V316-V327 HydrophobicContact CG2-CG1 4.17Å
317	M	91.9	Very high	87.4	Confident	95 Å²	95	66.7 Å²	66.7	47%	0.468	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-38.8	176.3	-65.1	-165.5	71.5	0	0	112.5	V315 V326 K328	V315-M317 PolarHBondContact O-N 3.06Å; M317-V326 PolarHBondContact N-O 3.16Å; M317-K328 HydrophobicContact CG-CB 4.03Å; M317-K328 HydrophobicContact SD-CB 3.85Å; M317-K328 HydrophobicContact SD-CD 4.12Å; M317-K328 HydrophobicContact SD-CG 4.45Å
318	E	89.9	Confident	88.1	Confident	92 Å²	92	63.6 Å²	63.6	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	140.2	-170.7	-167.9	-170.6	174.3	0	0	109.2	K320 V326	E318-K320 WeakPolarHBondContact OE1-CE 3.47Å; E318-K320 IonicContact OE1-NZ 3.72Å; E318-K320 PolarHBondContact OE1-NZ 3.42Å; E318-K320 WeakPolarHBondContact OE2-CE 3.41Å; E318-K320 IonicContact OE2-NZ 3.56Å; E318-K320 PolarHBondContact OE2-NZ 3.1Å; E318-V326 HydrophobicContact CB-CB 4.16Å; E318-V326 HydrophobicContact CB-CG2 4.3Å; E318-V326 PolarHBondContact O-N 3.1Å
319	V	89.6	Confident	88.6	Confident	44 Å²	44	57.5 Å²	57.5	27%	0.267	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.2	174.7	-177.5	0	0	0	0	109.2	L292 V316 G324	L292-V319 HydrophobicContact CB-CG1 4.03Å; L292-V319 HydrophobicContact CB-CG2 4.05Å; V316-V319 HydrophobicContact CG1-CG2 3.89Å; V319-G324 CarbonylContact C-O 3.46Å; V319-G324 WeakPolarHBondContact CA-O 3.44Å
320	K	83.7	Confident	88.9	Confident	74 Å²	74	61.3 Å²	61.3	32%	0.322	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.8	-179.7	-63	-168.2	175.8	-178.6	0	110.2	E318 K322 G324 V326	E318-K320 WeakPolarHBondContact OE1-CE 3.47Å; E318-K320 IonicContact OE1-NZ 3.72Å; E318-K320 PolarHBondContact OE1-NZ 3.42Å; E318-K320 WeakPolarHBondContact OE2-CE 3.41Å; E318-K320 IonicContact OE2-NZ 3.56Å; E318-K320 PolarHBondContact OE2-NZ 3.1Å; K320-K322 PolarHBondContact O-N 2.86Å; K320-G324 PolarHBondContact N-O 3.06Å; K320-G324 WeakPolarHBondContact O-CA 3.46Å; K320-G324 PolarHBondContact O-N 3.31Å; K320-G324 VanDerWaalsContact O-O 3.1Å; K320-V326 HydrophobicContact CD-CG2 4.14Å; K320-V326 HydrophobicContact CG-CG2 4.47Å
321	E	74.9	Confident	88.9	Confident	146 Å²	146	63.7 Å²	63.7	68%	0.682	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	23.6	174.1	-56	140.3	-108.7	0	0	113.2	Y323 K337	E321-Y323 WeakPolarHBondContact O-CD2 3.42Å; E321-Y323 PolarHBondContact O-N 3.38Å; E321-K337 IonicContact OE1-NZ 3.55Å; E321-K337 PolarHBondContact OE1-NZ 3.26Å; E321-K337 IonicContact OE2-NZ 3.48Å
322	K	78.6	Confident	88.7	Confident	121 Å²	121	59.5 Å²	59.5	53%	0.526	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	-33.4	-174.1	-55.7	174.4	-178.2	176.6	0	116.3	Y290 K320	Y290-K322 HydrophobicContact CD1-CD 4.37Å; Y290-K322 HydrophobicContact CD2-CB 4.08Å; Y290-K322 HydrophobicContact CD2-CG 4.48Å; Y290-K322 HydrophobicContact CE1-CD 4.23Å; Y290-K322 HydrophobicContact CE2-CD 4.38Å; Y290-K322 HydrophobicContact CG-CB 4.02Å; K320-K322 PolarHBondContact O-N 2.86Å
323	Y	84.3	Confident	88.4	Confident	88 Å²	88	58.4 Å²	58.4	35%	0.345	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-19	-174.9	-67.7	-87	0	0	0	114.5	D289 L292 E321 Q340	D289-Y323 WeakPolarHBondContact OD2-CE1 3.41Å; D289-Y323 VanDerWaalsContact OD2-CZ 3.28Å; D289-Y323 PolarHBondContact OD2-OH 3.49Å; L292-Y323 WeakPolarHBondContact CD1-O 3.35Å; E321-Y323 WeakPolarHBondContact O-CD2 3.42Å; E321-Y323 PolarHBondContact O-N 3.38Å; Y323-Q340 HydrophobicContact CD1-CG 4.2Å; Y323-Q340 PolarHBondContact O-N 2.9Å
324	G	87.3	Confident	88.2	Confident	8 Å²	8	56 Å²	56	8%	0.082	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.8	178.1	0	0	0	0	0	112.5	V319 K320 L338	V319-G324 CarbonylContact C-O 3.46Å; V319-G324 WeakPolarHBondContact CA-O 3.44Å; K320-G324 PolarHBondContact N-O 3.06Å; K320-G324 WeakPolarHBondContact O-CA 3.46Å; K320-G324 PolarHBondContact O-N 3.31Å; K320-G324 VanDerWaalsContact O-O 3.1Å; G324-L338 CarbonylContact C-O 3.57Å; G324-L338 WeakPolarHBondContact CA-O 3.25Å
325	A	90.1	Very high	88	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.5	167.3	0	0	0	0	0	111	L292 V316 V327 K337 L338 L343	L292-A325 HydrophobicContact CD1-CB 3.87Å; L292-A325 HydrophobicContact CD2-CB 4.18Å; V316-A325 HydrophobicContact CG1-CB 3.88Å; V316-A325 HydrophobicContact CG2-CB 4.37Å; A325-V327 HydrophobicContact CB-CG1 3.71Å; A325-K337 WeakPolarHBondContact O-CA 3.5Å; A325-L338 PolarHBondContact N-O 2.66Å; A325-L338 PolarHBondContact O-N 2.76Å; A325-L343 HydrophobicContact CB-CD1 3.88Å
326	V	92.4	Very high	87.8	Confident	25 Å²	25	62.4 Å²	62.4	15%	0.152	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	103.4	158.1	-175.8	0	0	0	0	106.8	M317 E318 K320 L336	M317-V326 PolarHBondContact N-O 3.16Å; E318-V326 HydrophobicContact CB-CB 4.16Å; E318-V326 HydrophobicContact CB-CG2 4.3Å; E318-V326 PolarHBondContact O-N 3.1Å; K320-V326 HydrophobicContact CD-CG2 4.14Å; K320-V326 HydrophobicContact CG-CG2 4.47Å; V326-L336 WeakPolarHBondContact CA-O 3.49Å
327	V	92.7	Very high	87.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.1	-179.6	-53.9	0	0	0	0	110.8	V298 I300 A314 V315 V316 A325 K335 L336 L338 L343	V298-V327 HydrophobicContact CG2-CG1 3.98Å; I300-V327 HydrophobicContact CD1-CG2 4.23Å; A314-V327 HydrophobicContact CB-CB 3.89Å; A314-V327 HydrophobicContact CB-CG2 4.01Å; V315-V327 CarbonylContact O-C 3.58Å; V315-V327 VanDerWaalsContact O-CA 3.32Å; V315-V327 WeakPolarHBondContact O-CA 2.89Å; V316-V327 HydrophobicContact CG2-CG1 4.17Å; A325-V327 HydrophobicContact CB-CG1 3.71Å; V327-K335 CarbonylContact O-C 3.6Å; V327-K335 WeakPolarHBondContact O-CA 3.37Å; V327-L336 HydrophobicContact CG2-CB 4.09Å; V327-L336 PolarHBondContact N-O 3.31Å; V327-L336 PolarHBondContact O-N 3.07Å; V327-L338 HydrophobicContact CG2-CD1 4.02Å; V327-L343 HydrophobicContact CG1-CD1 4.06Å; V327-L343 HydrophobicContact CG1-CD2 4.33Å
328	K	92.6	Very high	87.6	Confident	91 Å²	91	64.3 Å²	64.3	40%	0.396	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.1	172.3	-171.7	-170.8	173.6	-171.9	0	109.6	A314 V315 M317 G333 D334 K335	A314-K328 CarbonylContact C-O 3.56Å; A314-K328 WeakPolarHBondContact CA-O 3.49Å; A314-K328 WeakPolarHBondContact CB-O 3.2Å; V315-K328 PolarHBondContact N-O 3.46Å; V315-K328 PolarHBondContact O-N 3.49Å; M317-K328 HydrophobicContact CG-CB 4.03Å; M317-K328 HydrophobicContact SD-CB 3.85Å; M317-K328 HydrophobicContact SD-CD 4.12Å; M317-K328 HydrophobicContact SD-CG 4.45Å; K328-G333 VanDerWaalsContact CE-O 3.31Å; K328-G333 WeakPolarHBondContact CE-O 3.37Å; K328-G333 VanDerWaalsContact CG-O 3.29Å; K328-G333 WeakPolarHBondContact CG-O 3.32Å; K328-D334 CarbonylContact C-O 3.52Å; K328-D334 WeakPolarHBondContact CA-O 3.01Å; K328-K335 HydrophobicContact CB-CG 4.49Å; K328-K335 HydrophobicContact CG-CG 4.32Å
329	L	90.9	Very high	87.7	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.6	177	-90	76.8	0	0	0	111.4	I300 Y309 K312 A314 G333 D334 L336	I300-L329 HydrophobicContact CD1-CD1 3.67Å; I300-L329 HydrophobicContact CD1-CG 4.29Å; Y309-L329 HydrophobicContact CD1-CD2 3.42Å; Y309-L329 VanDerWaalsContact CD1-CD2 3.42Å; Y309-L329 HydrophobicContact CE1-CD2 3.9Å; Y309-L329 HydrophobicContact CG-CD2 4.41Å; K312-L329 HydrophobicContact CB-CD2 4.23Å; K312-L329 HydrophobicContact CD-CD2 3.7Å; A314-L329 HydrophobicContact CB-CD1 4.32Å; A314-L329 HydrophobicContact CB-CG 4.39Å; L329-G333 WeakPolarHBondContact O-CA 3.43Å; L329-G333 PolarHBondContact O-N 3.02Å; L329-G333 VanDerWaalsContact O-N 3.07Å; L329-D334 PolarHBondContact N-O 3.1Å; L329-L336 HydrophobicContact CD1-CD1 3.61Å; L329-L336 HydrophobicContact CD1-CG 4.21Å
330	I	88.9	Confident	87.7	Confident	101 Å²	101	60.8 Å²	60.8	52%	0.518	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-49.7	175.9	-60.3	176.9	0	0	0	109.5	V297 K313 V315 S332	V297-I330 HydrophobicContact CG1-CD1 4.19Å; K313-I330 HydrophobicContact CB-CD1 3.99Å; K313-I330 PolarHBondContact O-N 2.94Å; K313-I330 VanDerWaalsContact O-N 3.13Å; V315-I330 HydrophobicContact CG2-CD1 4.24Å; V315-I330 HydrophobicContact CG2-CG1 4.13Å; I330-S332 VanDerWaalsContact C-N 3.34Å; I330-S332 PolarHBondContact O-N 3.37Å
331	D	86.4	Confident	88	Confident	102 Å²	102	63 Å²	63	55%	0.545	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.4	-173.7	-38.3	-25.9	0	0	0	114.3	K312	K312-D331 WeakPolarHBondContact CD-OD2 3.15Å; K312-D331 VanDerWaalsContact CE-OD2 3.3Å; K312-D331 WeakPolarHBondContact CE-OD2 3.25Å; K312-D331 WeakPolarHBondContact CG-OD2 2.99Å
332	S	82.4	Confident	88.7	Confident	56 Å²	56	58.1 Å²	58.1	39%	0.392	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-7.5	-165.7	-52	0	0	0	0	114.2	K312 I330 D334	K312-S332 PolarHBondContact NZ-OG 3.07Å; I330-S332 VanDerWaalsContact C-N 3.34Å; I330-S332 PolarHBondContact O-N 3.37Å; S332-D334 PolarHBondContact O-N 3.31Å
333	G	85.1	Confident	89.3	Confident	35 Å²	35	53 Å²	53	36%	0.361	27%	0.272	S	S	.	.			trans	70.6	-17	179.2	0	0	0	0	0	116.2	K328 L329	K328-G333 VanDerWaalsContact CE-O 3.31Å; K328-G333 WeakPolarHBondContact CE-O 3.37Å; K328-G333 VanDerWaalsContact CG-O 3.29Å; K328-G333 WeakPolarHBondContact CG-O 3.32Å; L329-G333 WeakPolarHBondContact O-CA 3.43Å; L329-G333 PolarHBondContact O-N 3.02Å; L329-G333 VanDerWaalsContact O-N 3.07Å
334	D	88.9	Confident	89.6	Confident	63 Å²	63	52.4 Å²	52.4	34%	0.337	27%	0.273	S	S	.	.			trans	-48	136.9	176.4	-74.7	-19.6	0	0	0	113	Y309 K328 L329 S332	Y309-D334 HydrophobicContact CE1-CB 4.47Å; Y309-D334 WeakPolarHBondContact CE1-OD2 3.2Å; Y309-D334 VanDerWaalsContact CZ-OD2 3.24Å; Y309-D334 PolarHBondContact OH-OD2 3.41Å; K328-D334 CarbonylContact C-O 3.52Å; K328-D334 WeakPolarHBondContact CA-O 3.01Å; L329-D334 PolarHBondContact N-O 3.1Å; S332-D334 PolarHBondContact O-N 3.31Å
335	K	89.7	Confident	89.9	Confident	142 Å²	142	53 Å²	53	62%	0.617	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.6	172.5	-65.1	-177.5	-179.5	-179.2	0	110.4	V327 K328	V327-K335 CarbonylContact O-C 3.6Å; V327-K335 WeakPolarHBondContact O-CA 3.37Å; K328-K335 HydrophobicContact CB-CG 4.49Å; K328-K335 HydrophobicContact CG-CG 4.32Å
336	L	89.8	Confident	90	Very high	26 Å²	26	53.6 Å²	53.6	14%	0.136	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.4	-179.9	-57.3	174	0	0	0	110.1	I300 L305 Y309 V326 V327 L329	I300-L336 HydrophobicContact CD1-CD1 4.2Å; L305-L336 HydrophobicContact CD1-CD1 4.24Å; Y309-L336 HydrophobicContact CD2-CD1 4.16Å; Y309-L336 HydrophobicContact CE2-CD1 4.41Å; Y309-L336 HydrophobicContact CE2-CD2 4.39Å; Y309-L336 HydrophobicContact CG-CD1 4.23Å; V326-L336 WeakPolarHBondContact CA-O 3.49Å; V327-L336 HydrophobicContact CG2-CB 4.09Å; V327-L336 PolarHBondContact N-O 3.31Å; V327-L336 PolarHBondContact O-N 3.07Å; L329-L336 HydrophobicContact CD1-CD1 3.61Å; L329-L336 HydrophobicContact CD1-CG 4.21Å
337	K	91.3	Very high	90	Very high	122 Å²	122	55.2 Å²	55.2	53%	0.53	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.7	162.7	-170.9	179.8	-177.1	-176.6	0	107.6	E321 A325	E321-K337 IonicContact OE1-NZ 3.55Å; E321-K337 PolarHBondContact OE1-NZ 3.26Å; E321-K337 IonicContact OE2-NZ 3.48Å; A325-K337 WeakPolarHBondContact O-CA 3.5Å
338	L	90.4	Very high	89.9	Confident	12 Å²	12	56 Å²	56	6%	0.063	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.2	177.2	-82.7	175.9	0	0	0	110.6	I300 T302 L305 G324 A325 V327 H342 L343	I300-L338 HydrophobicContact CB-CD1 4.46Å; I300-L338 HydrophobicContact CD1-CD1 3.97Å; I300-L338 HydrophobicContact CG1-CD1 3.86Å; I300-L338 HydrophobicContact CG2-CD1 3.85Å; T302-L338 HydrophobicContact CG2-CD2 3.92Å; L305-L338 HydrophobicContact CD1-CD2 3.63Å; L305-L338 HydrophobicContact CD1-CG 4.29Å; G324-L338 CarbonylContact C-O 3.57Å; G324-L338 WeakPolarHBondContact CA-O 3.25Å; A325-L338 PolarHBondContact N-O 2.66Å; A325-L338 PolarHBondContact O-N 2.76Å; V327-L338 HydrophobicContact CG2-CD1 4.02Å; L338-H342 HydrophobicContact CD2-CB 4Å; L338-L343 HydrophobicContact CB-CD1 4.26Å; L338-L343 HydrophobicContact CB-CD2 4.29Å; L338-L343 HydrophobicContact CB-CG 4.27Å; L338-L343 HydrophobicContact CD1-CD2 3.72Å
339	D	91.2	Very high	89.8	Confident	51 Å²	51	54.8 Å²	54.8	27%	0.273	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	151.6	172.4	166.3	53.7	0	0	0	110.1	N341 H342	D339-N341 PolarHBondContact O-N 2.83Å; D339-N341 VanDerWaalsContact O-N 3.11Å; D339-N341 WeakPolarHBondContact OD2-CB 3.43Å; D339-N341 PolarHBondContact OD2-ND2 3Å; D339-H342 WeakPolarHBondContact O-CB 3.44Å; D339-H342 PolarHBondContact O-N 3.15Å; D339-H342 IonicContact OD2-ND1 3.73Å
340	Q	89.7	Confident	89.7	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.056	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-56.4	-31.6	-174.4	74.5	176.1	22.6	0	0	113.2	D289 W291 L292 Y323 H342 L343	D289-Q340 PolarHBondContact O-NE2 3.47Å; W291-Q340 HydrophobicContact CZ2-CB 4.26Å; L292-Q340 HydrophobicContact CD1-CB 3.66Å; L292-Q340 HydrophobicContact CD2-CB 4.46Å; L292-Q340 HydrophobicContact CG-CB 3.84Å; Y323-Q340 HydrophobicContact CD1-CG 4.2Å; Y323-Q340 PolarHBondContact O-N 2.9Å; Q340-H342 PolarHBondContact O-N 2.95Å; Q340-L343 PolarHBondContact O-N 3.36Å; Q340-L343 VanDerWaalsContact O-N 3.09Å
341	N	90.2	Very high	89.7	Confident	120 Å²	120	55.8 Å²	55.8	64%	0.642	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.5	-7	177.3	-58.1	-67.4	0	0	0	114.3	D339	D339-N341 PolarHBondContact O-N 2.83Å; D339-N341 VanDerWaalsContact O-N 3.11Å; D339-N341 WeakPolarHBondContact OD2-CB 3.43Å; D339-N341 PolarHBondContact OD2-ND2 3Å
342	H	89.5	Confident	89.9	Confident	44 Å²	44	56.7 Å²	56.7	20%	0.204	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-110.9	7	177.9	-61.6	111.9	0	0	0	112.8	V301 T302 K304 L338 D339 Q340	V301-H342 VanDerWaalsContact CG2-C 3.48Å; V301-H342 WeakPolarHBondContact CG2-O 3.44Å; V301-H342 PolarHBondContact N-O 3.14Å; T302-H342 VanDerWaalsContact CB-CD2 3.48Å; T302-H342 WeakPolarHBondContact CB-CD2 3.44Å; T302-H342 HydrophobicContact CG2-CB 4.07Å; T302-H342 PolarHBondContact OG1-CD2 3.38Å; K304-H342 PolarHBondContact NZ-NE2 2.81Å; L338-H342 HydrophobicContact CD2-CB 4Å; D339-H342 WeakPolarHBondContact O-CB 3.44Å; D339-H342 PolarHBondContact O-N 3.15Å; D339-H342 IonicContact OD2-ND1 3.73Å; Q340-H342 PolarHBondContact O-N 2.95Å
343	L	90.7	Very high	90.4	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.063	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.9	-176.7	-63.4	174.4	0	0	0	110.8	W291 L292 V298 K299 I300 A325 V327 L338 Q340	W291-L343 HydrophobicContact CH2-CB 4Å; W291-L343 HydrophobicContact CZ2-CB 4.33Å; L292-L343 HydrophobicContact CD2-CD1 3.89Å; V298-L343 HydrophobicContact CB-CB 4.44Å; V298-L343 HydrophobicContact CB-CD2 4.33Å; V298-L343 HydrophobicContact CG2-CD1 4.33Å; V298-L343 HydrophobicContact CG2-CD2 3.88Å; K299-L343 CarbonylContact O-C 3.56Å; K299-L343 WeakPolarHBondContact O-CA 3.47Å; I300-L343 HydrophobicContact CG1-CD2 3.97Å; A325-L343 HydrophobicContact CB-CD1 3.88Å; V327-L343 HydrophobicContact CG1-CD1 4.06Å; V327-L343 HydrophobicContact CG1-CD2 4.33Å; L338-L343 HydrophobicContact CB-CD1 4.26Å; L338-L343 HydrophobicContact CB-CD2 4.29Å; L338-L343 HydrophobicContact CB-CG 4.27Å; L338-L343 HydrophobicContact CD1-CD2 3.72Å; Q340-L343 PolarHBondContact O-N 3.36Å; Q340-L343 VanDerWaalsContact O-N 3.09Å
344	E	91.9	Very high	90.8	Very high	76 Å²	76	58.2 Å²	58.2	36%	0.355	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.1	178.4	-174.7	-169.6	145.9	0	0	108.3	V298 K299 V301	V298-E344 CarbonylContact C-O 3.57Å; V298-E344 WeakPolarHBondContact CA-O 3.5Å; K299-E344 HydrophobicContact CB-CB 4.21Å; K299-E344 WeakPolarHBondContact CD-OE2 3.42Å; K299-E344 WeakPolarHBondContact CE-OE2 3.08Å; K299-E344 PolarHBondContact N-O 3.12Å; K299-E344 IonicContact NZ-OE1 3.98Å; K299-E344 PolarHBondContact NZ-OE1 3.1Å; K299-E344 IonicContact NZ-OE2 3.96Å; K299-E344 PolarHBondContact NZ-OE2 3.38Å; K299-E344 PolarHBondContact O-N 2.92Å; V301-E344 HydrophobicContact CG1-CB 3.77Å; V301-E344 WeakPolarHBondContact CG1-OE2 3.46Å
345	T	92.8	Very high	90.9	Very high	22 Å²	22	56.3 Å²	56.3	14%	0.135	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	156.5	174.1	52.1	0	0	0	0	110.8	W291 L357 Y396 F399	W291-T345 HydrophobicContact CE3-CG2 4.19Å; W291-T345 HydrophobicContact CH2-CG2 4.26Å; W291-T345 HydrophobicContact CZ3-CG2 3.82Å; T345-L357 HydrophobicContact CG2-CD1 4.14Å; T345-Y396 PolarHBondContact OG1-O 3.25Å; T345-F399 WeakPolarHBondContact CB-O 3.42Å; T345-F399 WeakPolarHBondContact CG2-O 3.17Å
346	V	92.6	Very high	91.1	Very high	12 Å²	12	49.6 Å²	49.6	7%	0.073	27%	0.266	C	S	.	.			trans	-121.6	103.9	-179.2	175.8	0	0	0	0	108.9	V297 K299 S400 K401	V297-V346 HydrophobicContact CB-CB 4.32Å; V297-V346 HydrophobicContact CG1-CB 4.25Å; V297-V346 HydrophobicContact CG1-CG1 4.3Å; V297-V346 HydrophobicContact CG1-CG2 4.17Å; K299-V346 HydrophobicContact CB-CG2 3.76Å; V346-S400 PolarHBondContact N-OG 2.86Å; V346-S400 PolarHBondContact O-OG 3.27Å; V346-K401 WeakPolarHBondContact O-CB 3.34Å; V346-K401 PolarHBondContact O-N 3.1Å
347	I	91.6	Very high	91	Very high	59 Å²	59	48.3 Å²	48.3	30%	0.303	26%	0.259	S	S	.	.			trans	-70.5	125.1	171.8	-49.9	170.4	0	0	0	108	L368 I371 Y396 F399	I347-L368 HydrophobicContact CG2-CD2 3.79Å; I347-I371 HydrophobicContact CG2-CD1 4.02Å; I347-Y396 HydrophobicContact CD1-CD1 3.56Å; I347-Y396 HydrophobicContact CD1-CD2 3.72Å; I347-Y396 HydrophobicContact CD1-CE1 3.89Å; I347-Y396 HydrophobicContact CD1-CE2 4.02Å; I347-Y396 HydrophobicContact CD1-CG 3.49Å; I347-Y396 VanDerWaalsContact CD1-CG 3.49Å; I347-Y396 HydrophobicContact CG1-CD1 4.46Å; I347-Y396 HydrophobicContact CG1-CG 4.49Å; I347-F399 HydrophobicContact CG1-CE2 4.3Å; I347-F399 HydrophobicContact CG1-CZ 4.28Å; I347-F399 HydrophobicContact CG2-CE2 4.21Å; I347-F399 HydrophobicContact CG2-CZ 4.33Å
348	P	91	Very high	90.8	Very high	16 Å²	16	43 Å²	43	10%	0.104	24%	0.236	C	C	.	.			trans	-80.1	179.1	173	32.9	-32.3	0	0	0	111.6	K352 V354 L368 K401	P348-K352 HydrophobicContact CB-CB 3.78Å; P348-K352 HydrophobicContact CB-CG 4.23Å; P348-K352 HydrophobicContact CG-CB 3.93Å; P348-V354 HydrophobicContact CG-CG1 3.54Å; P348-L368 HydrophobicContact CG-CD2 3.84Å; P348-L368 VanDerWaalsContact O-CD2 3.23Å; P348-L368 WeakPolarHBondContact O-CD2 3.38Å; P348-K401 HydrophobicContact CB-CB 4.13Å; P348-K401 HydrophobicContact CB-CD 4.16Å; P348-K401 HydrophobicContact CB-CG 4.05Å; P348-K401 HydrophobicContact CG-CB 4.11Å; P348-K401 HydrophobicContact CG-CG 4.35Å
349	A	90.3	Very high	90.5	Very high	65 Å²	65	42.9 Å²	42.9	54%	0.537	24%	0.238	S	C	.	.			trans	-65.5	153.7	162	0	0	0	0	0	110.4	K352	A349-K352 WeakPolarHBondContact O-CB 3.26Å; A349-K352 VanDerWaalsContact O-CG 3.31Å; A349-K352 WeakPolarHBondContact O-CG 3.49Å
350	P	89.9	Confident	89.9	Confident	75 Å²	75	44.6 Å²	44.6	49%	0.487	25%	0.252	S	S	.	.	S	Bend	trans	-58.3	155.5	171.4	25.9	-34.8	0	0	0	111.9	L368 E369	P350-L368 CarbonylContact C-O 3.58Å; P350-L368 VanDerWaalsContact CA-O 3.3Å; P350-L368 WeakPolarHBondContact CA-O 3.25Å; P350-E369 WeakPolarHBondContact CB-O 3.3Å
351	G	87.8	Confident	89.6	Confident	49 Å²	49	47.2 Å²	47.2	51%	0.505	26%	0.262	S	S	.	.	S	Bend	trans	77.6	20.2	-169.4	0	0	0	0	0	114.1	L368	G351-L368 PolarHBondContact N-O 3.02Å
352	K	92.1	Very high	89.3	Confident	121 Å²	121	44.1 Å²	44.1	53%	0.526	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.9	178.6	-61.4	-62.2	173.9	-163.8	0	112.3	P348 A349 L368	P348-K352 HydrophobicContact CB-CB 3.78Å; P348-K352 HydrophobicContact CB-CG 4.23Å; P348-K352 HydrophobicContact CG-CB 3.93Å; A349-K352 WeakPolarHBondContact O-CB 3.26Å; A349-K352 VanDerWaalsContact O-CG 3.31Å; A349-K352 WeakPolarHBondContact O-CG 3.49Å; K352-L368 PolarHBondContact O-N 3.47Å
353	R	91.2	Very high	89	Confident	124 Å²	124	46.1 Å²	46.1	47%	0.468	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	139.9	177.1	-70.7	-171.1	169.1	-166.8	3.2	112.4	E365 A366 D383 L402	R353-E365 WeakPolarHBondContact CD-OE2 3.18Å; R353-E365 IonicContact CZ-OE2 2.79Å; R353-E365 IonicContact NE-OE2 2.81Å; R353-E365 IonicContact NH1-OE2 3.89Å; R353-E365 PolarHBondContact NH1-OE2 2.97Å; R353-A366 CarbonylContact C-O 3.59Å; R353-A366 WeakPolarHBondContact CA-O 3.48Å; R353-D383 IonicContact CZ-OD2 2.66Å; R353-D383 IonicContact NE-OD2 3.11Å; R353-D383 PolarHBondContact NE-OD2 2.99Å; R353-D383 IonicContact NH2-OD2 2.75Å; R353-D383 PolarHBondContact NH2-OD2 3.15Å; R353-L402 PolarHBondContact O-N 3.04Å
354	V	94.1	Very high	88.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.9	173.6	-65	0	0	0	0	109.2	P348 A366 L368 L380 F399 S400	P348-V354 HydrophobicContact CG-CG1 3.54Å; V354-A366 HydrophobicContact CG2-CB 4.14Å; V354-A366 WeakPolarHBondContact CG2-O 3.5Å; V354-A366 PolarHBondContact N-O 3.1Å; V354-A366 PolarHBondContact O-N 3.37Å; V354-L368 HydrophobicContact CG1-CB 4.34Å; V354-L380 HydrophobicContact CG2-CD1 3.84Å; V354-L380 HydrophobicContact CG2-CD2 3.82Å; V354-L380 HydrophobicContact CG2-CG 4.42Å; V354-F399 HydrophobicContact CB-CD2 3.96Å; V354-F399 HydrophobicContact CG1-CD2 3.88Å; V354-F399 HydrophobicContact CG1-CE2 4.17Å; V354-F399 HydrophobicContact CG2-CD2 4.13Å; V354-S400 CarbonylContact C-O 3.57Å; V354-S400 VanDerWaalsContact CA-O 3.24Å; V354-S400 WeakPolarHBondContact CA-O 3.08Å; V354-S400 WeakPolarHBondContact CB-O 3.24Å
355	L	92.3	Very high	88.9	Confident	23 Å²	23	45.8 Å²	45.8	12%	0.12	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.2	168.5	-172.4	69.1	0	0	0	108.5	Q293 I296 L357 E365 F399 S400	Q293-L355 HydrophobicContact CB-CD2 3.98Å; Q293-L355 HydrophobicContact CG-CD2 4.47Å; I296-L355 HydrophobicContact CG2-CB 3.95Å; I296-L355 HydrophobicContact CG2-CD2 3.73Å; I296-L355 HydrophobicContact CG2-CG 4.47Å; L355-L357 HydrophobicContact CB-CD2 4.41Å; L355-L357 HydrophobicContact CD2-CD2 3.98Å; L355-L357 HydrophobicContact CG-CD2 4.18Å; L355-E365 HydrophobicContact CD1-CG 4.45Å; L355-F399 VanDerWaalsContact O-CA 3.31Å; L355-F399 WeakPolarHBondContact O-CA 3.45Å; L355-F399 WeakPolarHBondContact O-CB 3.32Å; L355-S400 PolarHBondContact N-O 2.72Å; L355-S400 PolarHBondContact O-N 2.86Å
356	I	92.1	Very high	88.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127	172.8	-61.2	165.1	0	0	0	108.5	N358 Y361 D363 T364 A366 L380 L382 I394	I356-N358 WeakPolarHBondContact CG2-O 3.44Å; I356-Y361 WeakPolarHBondContact CB-O 3.35Å; I356-Y361 WeakPolarHBondContact CG2-O 3.44Å; I356-D363 PolarHBondContact O-N 3.27Å; I356-T364 PolarHBondContact N-O 3.21Å; I356-A366 HydrophobicContact CD1-CB 3.96Å; I356-A366 HydrophobicContact CG1-CB 4.36Å; I356-L380 HydrophobicContact CD1-CD1 4.41Å; I356-L380 HydrophobicContact CG1-CD1 4.07Å; I356-L382 HydrophobicContact CD1-CD2 3.49Å; I356-L382 VanDerWaalsContact CD1-CD2 3.49Å; I356-I394 HydrophobicContact CD1-CD1 3.61Å; I356-I394 HydrophobicContact CG1-CD1 4Å; I356-I394 HydrophobicContact CG2-CD1 4.06Å
357	L	88.9	Confident	88.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.			trans	-104.6	-21.5	-166.4	-60	178.8	0	0	0	113.1	W291 Q293 I296 T345 L355 D398	W291-L357 HydrophobicContact CE3-CD1 3.92Å; W291-L357 HydrophobicContact CZ3-CD1 4.4Å; W291-L357 WeakPolarHBondContact O-CB 3.5Å; Q293-L357 HydrophobicContact CB-CD2 3.91Å; Q293-L357 HydrophobicContact CG-CD2 4.01Å; I296-L357 HydrophobicContact CD1-CD1 3.88Å; I296-L357 HydrophobicContact CD1-CD2 3.97Å; I296-L357 HydrophobicContact CG2-CD2 4.19Å; T345-L357 HydrophobicContact CG2-CD1 4.14Å; L355-L357 HydrophobicContact CB-CD2 4.41Å; L355-L357 HydrophobicContact CD2-CD2 3.98Å; L355-L357 HydrophobicContact CG-CD2 4.18Å; L357-D398 PolarHBondContact N-O 2.92Å
358	N	86.2	Confident	88.9	Confident	9 Å²	9	44.3 Å²	44.3	5%	0.048	25%	0.245	C	C	.	.	S	Bend	trans	-147.6	166.4	-174.2	-144.9	-19	0	0	0	112.3	R287 T288 I356 D398	R287-N358 WeakPolarHBondContact CA-OD1 3.4Å; R287-N358 WeakPolarHBondContact CG-ND2 3.34Å; R287-N358 WeakPolarHBondContact CG-OD1 3.35Å; T288-N358 PolarHBondContact N-OD1 3.41Å; T288-N358 PolarHBondContact O-ND2 3.5Å; T288-N358 PolarHBondContact OG1-OD1 3.29Å; I356-N358 WeakPolarHBondContact CG2-O 3.44Å; N358-D398 HydrophobicContact CB-CB 3.93Å; N358-D398 VanDerWaalsContact CB-OD1 3.3Å; N358-D398 WeakPolarHBondContact CB-OD1 3.43Å; N358-D398 PolarHBondContact N-O 3.21Å
359	G	83.9	Confident	88.9	Confident	10 Å²	10	47.8 Å²	47.8	10%	0.103	26%	0.26	C	S	.	.	S	Bend	trans	74.4	-164	179.7	0	0	0	0	0	114.3	V286 Y361 R362	V286-G359 WeakPolarHBondContact CG1-O 3.37Å; G359-Y361 PolarHBondContact O-N 2.95Å; G359-Y361 VanDerWaalsContact O-N 3.16Å; G359-R362 WeakPolarHBondContact O-CB 3.41Å; G359-R362 PolarHBondContact O-N 3.06Å
360	P	80.2	Confident	88.8	Confident	88 Å²	88	46 Å²	46	57%	0.571	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.5	-168.9	-25	35.5	0	0	0	115.7
361	Y	82.3	Confident	88.8	Confident	66 Å²	66	45.9 Å²	45.9	26%	0.259	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	19.9	-176.3	-52.8	-60	0	0	0	112.8	I356 G359 D363 T364 L382 Q387 V392 I394	I356-Y361 WeakPolarHBondContact CB-O 3.35Å; I356-Y361 WeakPolarHBondContact CG2-O 3.44Å; G359-Y361 PolarHBondContact O-N 2.95Å; G359-Y361 VanDerWaalsContact O-N 3.16Å; Y361-D363 PolarHBondContact O-N 3.22Å; Y361-T364 WeakPolarHBondContact O-CB 3.34Å; Y361-T364 PolarHBondContact O-N 2.95Å; Y361-T364 PolarHBondContact O-OG1 3.13Å; Y361-L382 HydrophobicContact CD1-CD1 3.91Å; Y361-L382 HydrophobicContact CE1-CD1 4.09Å; Y361-L382 HydrophobicContact CG-CD1 4.25Å; Y361-L382 HydrophobicContact CG-CD2 4.49Å; Y361-Q387 VanDerWaalsContact CE1-OE1 3.28Å; Y361-Q387 PolarHBondContact OH-OE1 3.25Å; Y361-V392 HydrophobicContact CD2-CG1 4.31Å; Y361-V392 HydrophobicContact CD2-CG2 4.31Å; Y361-V392 HydrophobicContact CE2-CB 4.19Å; Y361-V392 HydrophobicContact CE2-CG1 3.64Å; Y361-V392 HydrophobicContact CE2-CG2 4.43Å; Y361-I394 HydrophobicContact CD2-CD1 4.21Å
362	R	83.6	Confident	88.9	Confident	55 Å²	55	46 Å²	46	21%	0.208	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	140.6	175.2	173.7	172.8	179.4	135.2	15.6	111.3	T288 Y290 G359 T364	T288-R362 PolarHBondContact OG1-NH1 2.87Å; Y290-R362 PolarHBondContact O-NH1 3.36Å; G359-R362 WeakPolarHBondContact O-CB 3.41Å; G359-R362 PolarHBondContact O-N 3.06Å; R362-T364 PolarHBondContact O-N 2.89Å
363	D	84.7	Confident	88.6	Confident	87 Å²	87	47.4 Å²	47.4	47%	0.465	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	20.2	178.3	-52.8	-24.7	0	0	0	114.2	Q293 I356 Y361	Q293-D363 PolarHBondContact NE2-OD1 2.93Å; Q293-D363 PolarHBondContact NE2-OD2 3.46Å; Q293-D363 VanDerWaalsContact NE2-OD2 3.1Å; I356-D363 PolarHBondContact O-N 3.27Å; Y361-D363 PolarHBondContact O-N 3.22Å
364	T	88.3	Confident	88.3	Confident	24 Å²	24	51 Å²	51	15%	0.147	26%	0.258	C	S	.	.			trans	-100.5	133.9	174.1	-53.5	0	0	0	0	111.2	I356 Y361 R362 L382 S384	I356-T364 PolarHBondContact N-O 3.21Å; Y361-T364 WeakPolarHBondContact O-CB 3.34Å; Y361-T364 PolarHBondContact O-N 2.95Å; Y361-T364 PolarHBondContact O-OG1 3.13Å; R362-T364 PolarHBondContact O-N 2.89Å; T364-L382 HydrophobicContact CG2-CD2 4.12Å; T364-S384 WeakPolarHBondContact CG2-O 3.45Å
365	E	91.2	Very high	87.8	Confident	56 Å²	56	57.1 Å²	57.1	26%	0.262	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134	167.7	-75.6	-172	-123.9	0	0	111.2	R353 L355 D383 S384 L402	R353-E365 WeakPolarHBondContact CD-OE2 3.18Å; R353-E365 IonicContact CZ-OE2 2.79Å; R353-E365 IonicContact NE-OE2 2.81Å; R353-E365 IonicContact NH1-OE2 3.89Å; R353-E365 PolarHBondContact NH1-OE2 2.97Å; L355-E365 HydrophobicContact CD1-CG 4.45Å; E365-D383 PolarHBondContact O-N 3.2Å; E365-S384 PolarHBondContact O-N 3.47Å; E365-L402 HydrophobicContact CG-CD1 3.72Å
366	A	91.9	Very high	87.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.5	176.3	0	0	0	0	0	111.4	R353 V354 I356 L380 M381 L382	R353-A366 CarbonylContact C-O 3.59Å; R353-A366 WeakPolarHBondContact CA-O 3.48Å; V354-A366 HydrophobicContact CG2-CB 4.14Å; V354-A366 WeakPolarHBondContact CG2-O 3.5Å; V354-A366 PolarHBondContact N-O 3.1Å; V354-A366 PolarHBondContact O-N 3.37Å; I356-A366 HydrophobicContact CD1-CB 3.96Å; I356-A366 HydrophobicContact CG1-CB 4.36Å; A366-L380 HydrophobicContact CB-CB 4Å; A366-L380 HydrophobicContact CB-CD1 4.47Å; A366-M381 CarbonylContact C-O 3.49Å; A366-M381 VanDerWaalsContact CA-O 3.23Å; A366-M381 WeakPolarHBondContact CA-O 3.39Å; A366-M381 WeakPolarHBondContact CB-O 3.29Å; A366-L382 HydrophobicContact CB-CD2 4.1Å
367	L	92.4	Very high	87.3	Confident	62 Å²	62	63.8 Å²	63.8	33%	0.325	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.6	176.1	-172.2	153.3	0	0	0	109.1	E369 L380 M381	L367-E369 PolarHBondContact O-N 3.32Å; L367-L380 WeakPolarHBondContact O-CA 3.43Å; L367-M381 PolarHBondContact N-O 2.89Å; L367-M381 PolarHBondContact O-N 3.24Å
368	L	92.4	Very high	87.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	116.4	178	173.6	60.7	0	0	0	110.5	I347 P348 P350 G351 K352 V354 G370 I371 A378 L380	I347-L368 HydrophobicContact CG2-CD2 3.79Å; P348-L368 HydrophobicContact CG-CD2 3.84Å; P348-L368 VanDerWaalsContact O-CD2 3.23Å; P348-L368 WeakPolarHBondContact O-CD2 3.38Å; P350-L368 CarbonylContact C-O 3.58Å; P350-L368 VanDerWaalsContact CA-O 3.3Å; P350-L368 WeakPolarHBondContact CA-O 3.25Å; G351-L368 PolarHBondContact N-O 3.02Å; K352-L368 PolarHBondContact O-N 3.47Å; V354-L368 HydrophobicContact CG1-CB 4.34Å; L368-G370 WeakPolarHBondContact CD1-O 3.49Å; L368-I371 HydrophobicContact CD1-CG1 4.04Å; L368-I371 HydrophobicContact CD2-CD1 4.15Å; L368-I371 HydrophobicContact CD2-CG1 4.25Å; L368-I371 HydrophobicContact CG-CG1 4.48Å; L368-A378 HydrophobicContact CD1-CB 3.57Å; L368-L380 HydrophobicContact CB-CD2 3.98Å; L368-L380 HydrophobicContact CD1-CD2 3.55Å; L368-L380 HydrophobicContact CG-CD2 4.37Å
369	E	91.3	Very high	87.5	Confident	90 Å²	90	65 Å²	65	42%	0.421	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-52.3	-179.3	-175	172.9	-166	0	0	111.7	P350 L367 T379 M391	P350-E369 WeakPolarHBondContact CB-O 3.3Å; L367-E369 PolarHBondContact O-N 3.32Å; E369-T379 PolarHBondContact N-O 3.34Å; E369-T379 VanDerWaalsContact N-O 3.1Å; E369-M391 WeakPolarHBondContact OE2-CE 3.46Å
370	G	88.3	Confident	87.9	Confident	26 Å²	26	64.6 Å²	64.6	27%	0.268	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.9	-176.5	0	0	0	0	0	113.4	L368 A378 T379	L368-G370 WeakPolarHBondContact CD1-O 3.49Å; G370-A378 CarbonylContact O-C 3.52Å; G370-A378 VanDerWaalsContact O-CA 3.27Å; G370-A378 WeakPolarHBondContact O-CA 3.49Å; G370-A378 VanDerWaalsContact O-CB 3.31Å; G370-A378 WeakPolarHBondContact O-CB 3.44Å; G370-T379 PolarHBondContact N-O 3.02Å; G370-T379 PolarHBondContact O-N 2.96Å
371	I	90.8	Very high	88.3	Confident	74 Å²	74	63.4 Å²	63.4	38%	0.379	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.4	179.3	-60.7	175.5	0	0	0	107.8	I347 L368 E373 Y396	I347-I371 HydrophobicContact CG2-CD1 4.02Å; L368-I371 HydrophobicContact CD1-CG1 4.04Å; L368-I371 HydrophobicContact CD2-CD1 4.15Å; L368-I371 HydrophobicContact CD2-CG1 4.25Å; L368-I371 HydrophobicContact CG-CG1 4.48Å; I371-E373 HydrophobicContact CG2-CG 4.39Å; I371-Y396 HydrophobicContact CG2-CE1 4.18Å; I371-Y396 WeakPolarHBondContact CG2-OH 3.21Å
372	D	88.7	Confident	88.7	Confident	50 Å²	50	60.5 Å²	60.5	27%	0.267	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	73.7	-169.4	-157.7	11.7	0	0	0	110.3	K374 K375 F376 S377	D372-K374 PolarHBondContact O-N 3.43Å; D372-K375 PolarHBondContact O-N 3.02Å; D372-K375 VanDerWaalsContact OD2-CD 3.26Å; D372-K375 WeakPolarHBondContact OD2-CD 3.24Å; D372-K375 WeakPolarHBondContact OD2-CE 3.39Å; D372-K375 IonicContact OD2-NZ 3.69Å; D372-K375 PolarHBondContact OD2-NZ 2.61Å; D372-F376 PolarHBondContact O-N 2.85Å; D372-S377 WeakPolarHBondContact CA-O 3.43Å; D372-S377 WeakPolarHBondContact CB-O 3.44Å; D372-S377 PolarHBondContact N-O 3.35Å
373	E	86.1	Confident	88.8	Confident	152 Å²	152	59.9 Å²	59.9	71%	0.71	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-50.4	-35	-169.3	-63.8	-173.6	158.7	0	0	114.2	I371 K375 F376 Y396	I371-E373 HydrophobicContact CG2-CG 4.39Å; E373-K375 PolarHBondContact O-N 3.23Å; E373-F376 PolarHBondContact O-N 2.8Å; E373-Y396 WeakPolarHBondContact CA-OH 3.4Å
374	K	85.4	Confident	88.4	Confident	199 Å²	199	58 Å²	58	87%	0.865	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-66.9	-18.9	-179	-65	179	-178.4	174.3	0	113.9	D372	D372-K374 PolarHBondContact O-N 3.43Å
375	K	82.6	Confident	87.8	Confident	129 Å²	129	59.3 Å²	59.3	56%	0.561	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-112.4	-7.7	179.8	-62.6	-178.4	-162.8	146.2	0	113.3	D372 E373 S377	D372-K375 PolarHBondContact O-N 3.02Å; D372-K375 VanDerWaalsContact OD2-CD 3.26Å; D372-K375 WeakPolarHBondContact OD2-CD 3.24Å; D372-K375 WeakPolarHBondContact OD2-CE 3.39Å; D372-K375 IonicContact OD2-NZ 3.69Å; D372-K375 PolarHBondContact OD2-NZ 2.61Å; E373-K375 PolarHBondContact O-N 3.23Å; K375-S377 VanDerWaalsContact CB-OG 3.29Å; K375-S377 WeakPolarHBondContact CB-OG 3.28Å; K375-S377 PolarHBondContact O-N 3.37Å
376	F	85.6	Confident	86.8	Confident	149 Å²	149	63.3 Å²	63.3	65%	0.654	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	37.1	-167.8	-57.4	-89.4	0	0	0	113.4	D372 E373 A395 Y396	D372-F376 PolarHBondContact O-N 2.85Å; E373-F376 PolarHBondContact O-N 2.8Å; F376-A395 WeakPolarHBondContact O-CA 3.33Å; F376-Y396 HydrophobicContact CB-CD2 3.99Å; F376-Y396 HydrophobicContact CB-CE2 4.08Å; F376-Y396 HydrophobicContact CD1-CD2 4.2Å; F376-Y396 HydrophobicContact CD1-CE2 4.06Å; F376-Y396 WeakPolarHBondContact O-CD1 3.46Å; F376-Y396 PolarHBondContact O-N 3.31Å
377	S	88.3	Confident	85.9	Confident	13 Å²	13	67.5 Å²	67.5	9%	0.091	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.6	180	60	0	0	0	0	112	D372 K375 I394 Y396	D372-S377 WeakPolarHBondContact CA-O 3.43Å; D372-S377 WeakPolarHBondContact CB-O 3.44Å; D372-S377 PolarHBondContact N-O 3.35Å; K375-S377 VanDerWaalsContact CB-OG 3.29Å; K375-S377 WeakPolarHBondContact CB-OG 3.28Å; K375-S377 PolarHBondContact O-N 3.37Å; S377-I394 CarbonylContact C-O 3.49Å; S377-I394 VanDerWaalsContact CA-O 3.26Å; S377-I394 WeakPolarHBondContact CA-O 3.42Å; S377-I394 WeakPolarHBondContact CB-O 3.42Å; S377-Y396 VanDerWaalsContact O-CE1 3.32Å; S377-Y396 WeakPolarHBondContact O-CE1 3.37Å
378	A	89.5	Confident	85.3	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147	172.4	0	0	0	0	0	110.5	L368 G370 L380 D393 I394 Y396 F399	L368-A378 HydrophobicContact CD1-CB 3.57Å; G370-A378 CarbonylContact O-C 3.52Å; G370-A378 VanDerWaalsContact O-CA 3.27Å; G370-A378 WeakPolarHBondContact O-CA 3.49Å; G370-A378 VanDerWaalsContact O-CB 3.31Å; G370-A378 WeakPolarHBondContact O-CB 3.44Å; A378-L380 HydrophobicContact CB-CD2 4.18Å; A378-D393 WeakPolarHBondContact O-CA 3.47Å; A378-I394 PolarHBondContact N-O 2.95Å; A378-I394 PolarHBondContact O-N 2.98Å; A378-Y396 HydrophobicContact CB-CD1 4.49Å; A378-Y396 HydrophobicContact CB-CE1 4.18Å; A378-F399 HydrophobicContact CB-CE1 3.71Å; A378-F399 HydrophobicContact CB-CZ 3.48Å; A378-F399 VanDerWaalsContact CB-CZ 3.48Å
379	T	90.9	Very high	84.6	Confident	36 Å²	36	73.2 Å²	73.2	22%	0.221	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117	171.7	-50.9	0	0	0	0	108.1	E369 G370 M391 D393	E369-T379 PolarHBondContact N-O 3.34Å; E369-T379 VanDerWaalsContact N-O 3.1Å; G370-T379 PolarHBondContact N-O 3.02Å; G370-T379 PolarHBondContact O-N 2.96Å; T379-M391 HydrophobicContact CG2-CB 4.29Å; T379-D393 WeakPolarHBondContact CB-OD1 3.38Å; T379-D393 PolarHBondContact OG1-OD1 3.39Å
380	L	91.1	Very high	84.3	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.6	-177.7	-56	-175.1	0	0	0	109.9	V354 I356 A366 L367 L368 A378 V392 I394 F399	V354-L380 HydrophobicContact CG2-CD1 3.84Å; V354-L380 HydrophobicContact CG2-CD2 3.82Å; V354-L380 HydrophobicContact CG2-CG 4.42Å; I356-L380 HydrophobicContact CD1-CD1 4.41Å; I356-L380 HydrophobicContact CG1-CD1 4.07Å; A366-L380 HydrophobicContact CB-CB 4Å; A366-L380 HydrophobicContact CB-CD1 4.47Å; L367-L380 WeakPolarHBondContact O-CA 3.43Å; L368-L380 HydrophobicContact CB-CD2 3.98Å; L368-L380 HydrophobicContact CD1-CD2 3.55Å; L368-L380 HydrophobicContact CG-CD2 4.37Å; A378-L380 HydrophobicContact CB-CD2 4.18Å; L380-V392 HydrophobicContact CB-CG2 4.34Å; L380-V392 PolarHBondContact N-O 2.83Å; L380-V392 WeakPolarHBondContact O-CG2 3.37Å; L380-V392 PolarHBondContact O-N 3.29Å; L380-I394 HydrophobicContact CD1-CB 4.17Å; L380-I394 HydrophobicContact CD1-CD1 4.24Å; L380-F399 HydrophobicContact CD1-CB 4.04Å; L380-F399 HydrophobicContact CD1-CD1 3.92Å; L380-F399 HydrophobicContact CD1-CD2 4.26Å; L380-F399 HydrophobicContact CD1-CE1 4.45Å; L380-F399 HydrophobicContact CD1-CG 3.82Å; L380-F399 HydrophobicContact CD2-CE2 4.44Å
381	M	90.1	Very high	84.2	Confident	63 Å²	63	76.7 Å²	76.7	31%	0.31	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.3	173.7	-176.6	-175.7	-65.1	0	0	109.5	A366 L367 D383 M391	A366-M381 CarbonylContact C-O 3.49Å; A366-M381 VanDerWaalsContact CA-O 3.23Å; A366-M381 WeakPolarHBondContact CA-O 3.39Å; A366-M381 WeakPolarHBondContact CB-O 3.29Å; L367-M381 PolarHBondContact N-O 2.89Å; L367-M381 PolarHBondContact O-N 3.24Å; M381-D383 PolarHBondContact O-N 3.2Å; M381-M391 HydrophobicContact CE-CE 3.74Å
382	L	90.2	Very high	84.1	Confident	5 Å²	5	74 Å²	74	3%	0.026	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	120.9	-177.1	-60.5	-177	0	0	0	111.3	I356 Y361 T364 A366 Q387 K388 G389 D390 V392	I356-L382 HydrophobicContact CD1-CD2 3.49Å; I356-L382 VanDerWaalsContact CD1-CD2 3.49Å; Y361-L382 HydrophobicContact CD1-CD1 3.91Å; Y361-L382 HydrophobicContact CE1-CD1 4.09Å; Y361-L382 HydrophobicContact CG-CD1 4.25Å; Y361-L382 HydrophobicContact CG-CD2 4.49Å; T364-L382 HydrophobicContact CG2-CD2 4.12Å; A366-L382 HydrophobicContact CB-CD2 4.1Å; L382-Q387 HydrophobicContact CD1-CB 4.05Å; L382-K388 CarbonylContact O-C 3.54Å; L382-K388 WeakPolarHBondContact O-CA 3.37Å; L382-G389 PolarHBondContact O-N 2.86Å; L382-D390 PolarHBondContact N-O 3.31Å; L382-V392 HydrophobicContact CD2-CG2 3.88Å; L382-V392 HydrophobicContact CG-CG2 4.12Å
383	D	85.2	Confident	84.1	Confident	43 Å²	43	76.3 Å²	76.3	23%	0.23	41%	0.405	C	S	.	.			trans	-95.6	-17.9	177.3	-161	13.7	0	0	0	111.7	R353 E365 M381 K388	R353-D383 IonicContact CZ-OD2 2.66Å; R353-D383 IonicContact NE-OD2 3.11Å; R353-D383 PolarHBondContact NE-OD2 2.99Å; R353-D383 IonicContact NH2-OD2 2.75Å; R353-D383 PolarHBondContact NH2-OD2 3.15Å; E365-D383 PolarHBondContact O-N 3.2Å; M381-D383 PolarHBondContact O-N 3.2Å; D383-K388 WeakPolarHBondContact O-CD 3.19Å; D383-K388 PolarHBondContact O-NZ 3.48Å; D383-K388 IonicContact OD1-NZ 2.76Å; D383-K388 PolarHBondContact OD1-NZ 2.9Å
384	S	76.5	Confident	84.2	Confident	48 Å²	48	69.9 Å²	69.9	34%	0.336	38%	0.376	S	S	.	.	S	Bend	trans	-125	163.1	-179.1	-75.9	0	0	0	0	112.8	T364 E365	T364-S384 WeakPolarHBondContact CG2-O 3.45Å; E365-S384 PolarHBondContact O-N 3.47Å
385	G	74.8	Confident	84.5	Confident	50 Å²	50	62.1 Å²	62.1	52%	0.515	35%	0.349	S	S	.	.	S	Bend	trans	85.7	-176.3	174.4	0	0	0	0	0	115.3	Q387 K388	G385-Q387 PolarHBondContact O-N 3.39Å; G385-K388 PolarHBondContact O-N 3.02Å
386	P	70.5	Confident	84.7	Confident	141 Å²	141	57.9 Å²	57.9	92%	0.916	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.2	-173.6	31.4	-36.8	0	0	0	114.6
387	Q	72.8	Confident	84.8	Confident	88 Å²	88	56.5 Å²	56.5	41%	0.411	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	34.1	178.7	-78.4	-177.5	-36.8	0	0	111.5	Y361 L382 G385 G389 D390	Y361-Q387 VanDerWaalsContact CE1-OE1 3.28Å; Y361-Q387 PolarHBondContact OH-OE1 3.25Å; L382-Q387 HydrophobicContact CD1-CB 4.05Å; G385-Q387 PolarHBondContact O-N 3.39Å; Q387-G389 PolarHBondContact O-N 3.12Å; Q387-D390 HydrophobicContact CB-CB 4.4Å; Q387-D390 WeakPolarHBondContact CB-OD2 3.24Å; Q387-D390 WeakPolarHBondContact CG-OD2 3.31Å; Q387-D390 WeakPolarHBondContact O-CB 3.45Å; Q387-D390 PolarHBondContact O-N 2.86Å; Q387-D390 VanDerWaalsContact O-N 3.09Å
388	K	79.6	Confident	84.9	Confident	134 Å²	134	57 Å²	57	58%	0.583	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	125.5	175.1	-178.3	-175.3	178.1	82.4	0	110.5	L382 D383 G385	L382-K388 CarbonylContact O-C 3.54Å; L382-K388 WeakPolarHBondContact O-CA 3.37Å; D383-K388 WeakPolarHBondContact O-CD 3.19Å; D383-K388 PolarHBondContact O-NZ 3.48Å; D383-K388 IonicContact OD1-NZ 2.76Å; D383-K388 PolarHBondContact OD1-NZ 2.9Å; G385-K388 PolarHBondContact O-N 3.02Å
389	G	78	Confident	85	Confident	47 Å²	47	57 Å²	57	49%	0.485	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.7	-12.7	-177.1	0	0	0	0	0	114.9	L382 Q387	L382-G389 PolarHBondContact O-N 2.86Å; Q387-G389 PolarHBondContact O-N 3.12Å
390	D	85.4	Confident	85.1	Confident	76 Å²	76	55.3 Å²	55.3	41%	0.406	32%	0.316	S	S	.	.			trans	-69.8	137	173.3	-77.6	-23.3	0	0	0	110.8	L382 Q387	L382-D390 PolarHBondContact N-O 3.31Å; Q387-D390 HydrophobicContact CB-CB 4.4Å; Q387-D390 WeakPolarHBondContact CB-OD2 3.24Å; Q387-D390 WeakPolarHBondContact CG-OD2 3.31Å; Q387-D390 WeakPolarHBondContact O-CB 3.45Å; Q387-D390 PolarHBondContact O-N 2.86Å; Q387-D390 VanDerWaalsContact O-N 3.09Å
391	M	86.3	Confident	85.2	Confident	114 Å²	114	58.1 Å²	58.1	56%	0.562	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.2	172.3	-67.5	173.5	174.6	0	0	109.9	E369 T379 M381	E369-M391 WeakPolarHBondContact OE2-CE 3.46Å; T379-M391 HydrophobicContact CG2-CB 4.29Å; M381-M391 HydrophobicContact CE-CE 3.74Å
392	V	88.6	Confident	85.3	Confident	18 Å²	18	57.5 Å²	57.5	11%	0.109	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128.7	-175.9	-66.9	0	0	0	0	111.9	Y361 L380 L382 I394	Y361-V392 HydrophobicContact CD2-CG1 4.31Å; Y361-V392 HydrophobicContact CD2-CG2 4.31Å; Y361-V392 HydrophobicContact CE2-CB 4.19Å; Y361-V392 HydrophobicContact CE2-CG1 3.64Å; Y361-V392 HydrophobicContact CE2-CG2 4.43Å; L380-V392 HydrophobicContact CB-CG2 4.34Å; L380-V392 PolarHBondContact N-O 2.83Å; L380-V392 WeakPolarHBondContact O-CG2 3.37Å; L380-V392 PolarHBondContact O-N 3.29Å; L382-V392 HydrophobicContact CD2-CG2 3.88Å; L382-V392 HydrophobicContact CG-CG2 4.12Å; V392-I394 HydrophobicContact CB-CD1 4.45Å; V392-I394 HydrophobicContact CB-CG1 4.36Å; V392-I394 HydrophobicContact CG2-CD1 3.75Å; V392-I394 HydrophobicContact CG2-CG1 4.07Å
393	D	88.6	Confident	85	Confident	97 Å²	97	60.9 Å²	60.9	52%	0.519	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.6	173.1	-73.7	-16	0	0	0	110	A378 T379	A378-D393 WeakPolarHBondContact O-CA 3.47Å; T379-D393 WeakPolarHBondContact CB-OD1 3.38Å; T379-D393 PolarHBondContact OG1-OD1 3.39Å
394	I	88.4	Confident	85	Confident	18 Å²	18	61.8 Å²	61.8	9%	0.092	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.5	-176.3	-59.2	-170.7	0	0	0	110.3	I356 Y361 S377 A378 L380 V392 D398 F399	I356-I394 HydrophobicContact CD1-CD1 3.61Å; I356-I394 HydrophobicContact CG1-CD1 4Å; I356-I394 HydrophobicContact CG2-CD1 4.06Å; Y361-I394 HydrophobicContact CD2-CD1 4.21Å; S377-I394 CarbonylContact C-O 3.49Å; S377-I394 VanDerWaalsContact CA-O 3.26Å; S377-I394 WeakPolarHBondContact CA-O 3.42Å; S377-I394 WeakPolarHBondContact CB-O 3.42Å; A378-I394 PolarHBondContact N-O 2.95Å; A378-I394 PolarHBondContact O-N 2.98Å; L380-I394 HydrophobicContact CD1-CB 4.17Å; L380-I394 HydrophobicContact CD1-CD1 4.24Å; V392-I394 HydrophobicContact CB-CD1 4.45Å; V392-I394 HydrophobicContact CB-CG1 4.36Å; V392-I394 HydrophobicContact CG2-CD1 3.75Å; V392-I394 HydrophobicContact CG2-CG1 4.07Å; I394-D398 HydrophobicContact CG2-CB 3.77Å; I394-F399 HydrophobicContact CB-CD1 4.39Å; I394-F399 HydrophobicContact CG2-CD1 4.02Å
395	A	90.9	Very high	85.5	Confident	36 Å²	36	62.5 Å²	62.5	30%	0.298	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	149.8	-179.5	0	0	0	0	0	112.2	F376 E397 D398 F399	F376-A395 WeakPolarHBondContact O-CA 3.33Å; A395-E397 PolarHBondContact O-N 2.93Å; A395-E397 VanDerWaalsContact O-N 3.08Å; A395-D398 PolarHBondContact O-N 3.46Å; A395-F399 VanDerWaalsContact O-CD1 3.25Å; A395-F399 WeakPolarHBondContact O-CD1 3.42Å
396	Y	88.2	Confident	86.1	Confident	39 Å²	39	63.2 Å²	63.2	15%	0.153	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.2	-179	-59	-21.5	0	0	0	114.6	T345 I347 I371 E373 F376 S377 A378 D398 F399	T345-Y396 PolarHBondContact OG1-O 3.25Å; I347-Y396 HydrophobicContact CD1-CD1 3.56Å; I347-Y396 HydrophobicContact CD1-CD2 3.72Å; I347-Y396 HydrophobicContact CD1-CE1 3.89Å; I347-Y396 HydrophobicContact CD1-CE2 4.02Å; I347-Y396 HydrophobicContact CD1-CG 3.49Å; I347-Y396 VanDerWaalsContact CD1-CG 3.49Å; I347-Y396 HydrophobicContact CG1-CD1 4.46Å; I347-Y396 HydrophobicContact CG1-CG 4.49Å; I371-Y396 HydrophobicContact CG2-CE1 4.18Å; I371-Y396 WeakPolarHBondContact CG2-OH 3.21Å; E373-Y396 WeakPolarHBondContact CA-OH 3.4Å; F376-Y396 HydrophobicContact CB-CD2 3.99Å; F376-Y396 HydrophobicContact CB-CE2 4.08Å; F376-Y396 HydrophobicContact CD1-CD2 4.2Å; F376-Y396 HydrophobicContact CD1-CE2 4.06Å; F376-Y396 WeakPolarHBondContact O-CD1 3.46Å; F376-Y396 PolarHBondContact O-N 3.31Å; S377-Y396 VanDerWaalsContact O-CE1 3.32Å; S377-Y396 WeakPolarHBondContact O-CE1 3.37Å; A378-Y396 HydrophobicContact CB-CD1 4.49Å; A378-Y396 HydrophobicContact CB-CE1 4.18Å; Y396-D398 VanDerWaalsContact C-N 3.34Å; Y396-F399 HydrophobicContact CD1-CE1 4Å; Y396-F399 HydrophobicContact CD1-CZ 4.01Å
397	E	87.4	Confident	87	Confident	121 Å²	121	58.6 Å²	58.6	57%	0.565	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-29.5	174.4	-58.4	-178.7	156	0	0	112.7	R287 A395	R287-E397 IonicContact CZ-OE2 2.71Å; R287-E397 IonicContact NH1-OE2 2.66Å; R287-E397 IonicContact NH2-OE2 2.61Å; R287-E397 PolarHBondContact NH2-OE2 2.98Å; A395-E397 PolarHBondContact O-N 2.93Å; A395-E397 VanDerWaalsContact O-N 3.08Å
398	D	89.5	Confident	87.9	Confident	24 Å²	24	56.8 Å²	56.8	13%	0.128	32%	0.315	C	S	.	.	S	Bend	trans	-100	6.8	-165.5	-61.5	-39.1	0	0	0	112.9	R287 L357 N358 I394 A395 Y396	R287-D398 IonicContact CZ-OD1 2.95Å; R287-D398 IonicContact CZ-OD2 3.33Å; R287-D398 IonicContact NE-OD1 3.99Å; R287-D398 PolarHBondContact NE-OD1 2.67Å; R287-D398 IonicContact NE-OD2 3.64Å; R287-D398 IonicContact NH2-OD1 3.52Å; R287-D398 PolarHBondContact NH2-OD1 2.88Å; R287-D398 IonicContact NH2-OD2 2.68Å; R287-D398 PolarHBondContact NH2-OD2 3.06Å; L357-D398 PolarHBondContact N-O 2.92Å; N358-D398 HydrophobicContact CB-CB 3.93Å; N358-D398 VanDerWaalsContact CB-OD1 3.3Å; N358-D398 WeakPolarHBondContact CB-OD1 3.43Å; N358-D398 PolarHBondContact N-O 3.21Å; I394-D398 HydrophobicContact CG2-CB 3.77Å; A395-D398 PolarHBondContact O-N 3.46Å; Y396-D398 VanDerWaalsContact C-N 3.34Å
399	F	91.9	Very high	88.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.6	171.5	74	-90.9	0	0	0	112.9	T345 I347 V354 L355 A378 L380 I394 A395 Y396	T345-F399 WeakPolarHBondContact CB-O 3.42Å; T345-F399 WeakPolarHBondContact CG2-O 3.17Å; I347-F399 HydrophobicContact CG1-CE2 4.3Å; I347-F399 HydrophobicContact CG1-CZ 4.28Å; I347-F399 HydrophobicContact CG2-CE2 4.21Å; I347-F399 HydrophobicContact CG2-CZ 4.33Å; V354-F399 HydrophobicContact CB-CD2 3.96Å; V354-F399 HydrophobicContact CG1-CD2 3.88Å; V354-F399 HydrophobicContact CG1-CE2 4.17Å; V354-F399 HydrophobicContact CG2-CD2 4.13Å; L355-F399 VanDerWaalsContact O-CA 3.31Å; L355-F399 WeakPolarHBondContact O-CA 3.45Å; L355-F399 WeakPolarHBondContact O-CB 3.32Å; A378-F399 HydrophobicContact CB-CE1 3.71Å; A378-F399 HydrophobicContact CB-CZ 3.48Å; A378-F399 VanDerWaalsContact CB-CZ 3.48Å; L380-F399 HydrophobicContact CD1-CB 4.04Å; L380-F399 HydrophobicContact CD1-CD1 3.92Å; L380-F399 HydrophobicContact CD1-CD2 4.26Å; L380-F399 HydrophobicContact CD1-CE1 4.45Å; L380-F399 HydrophobicContact CD1-CG 3.82Å; L380-F399 HydrophobicContact CD2-CE2 4.44Å; I394-F399 HydrophobicContact CB-CD1 4.39Å; I394-F399 HydrophobicContact CG2-CD1 4.02Å; A395-F399 VanDerWaalsContact O-CD1 3.25Å; A395-F399 WeakPolarHBondContact O-CD1 3.42Å; Y396-F399 HydrophobicContact CD1-CE1 4Å; Y396-F399 HydrophobicContact CD1-CZ 4.01Å
400	S	93.1	Very high	89.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	160.1	170.3	-162.3	0	0	0	0	113.1	V297 V346 V354 L355 L402	V297-S400 PolarHBondContact O-OG 3.01Å; V346-S400 PolarHBondContact N-OG 2.86Å; V346-S400 PolarHBondContact O-OG 3.27Å; V354-S400 CarbonylContact C-O 3.57Å; V354-S400 VanDerWaalsContact CA-O 3.24Å; V354-S400 WeakPolarHBondContact CA-O 3.08Å; V354-S400 WeakPolarHBondContact CB-O 3.24Å; L355-S400 PolarHBondContact N-O 2.72Å; L355-S400 PolarHBondContact O-N 2.86Å; S400-L402 PolarHBondContact O-N 3.01Å
401	K	93.8	Very high	89.4	Confident	59 Å²	59	50.1 Å²	50.1	26%	0.257	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	129.9	173	178.7	-172.8	174.4	-68.7	0	110.9	I296 V297 V346 P348 A403	I296-K401 WeakPolarHBondContact CA-O 3.15Å; V297-K401 HydrophobicContact CB-CB 4.32Å; V297-K401 HydrophobicContact CB-CD 4.48Å; V297-K401 HydrophobicContact CG2-CB 4.33Å; V297-K401 HydrophobicContact CG2-CD 3.88Å; V297-K401 HydrophobicContact CG2-CG 4.08Å; V297-K401 PolarHBondContact N-O 2.85Å; V346-K401 WeakPolarHBondContact O-CB 3.34Å; V346-K401 PolarHBondContact O-N 3.1Å; P348-K401 HydrophobicContact CB-CB 4.13Å; P348-K401 HydrophobicContact CB-CD 4.16Å; P348-K401 HydrophobicContact CB-CG 4.05Å; P348-K401 HydrophobicContact CG-CB 4.11Å; P348-K401 HydrophobicContact CG-CG 4.35Å; K401-A403 PolarHBondContact NZ-OXT 3.37Å
402	L	91.4	Very high	89.7	Confident	50 Å²	50	44.8 Å²	44.8	26%	0.262	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-72.9	135	168.9	-161.8	154.4	0	0	0	109.9	R353 E365 S400	R353-L402 PolarHBondContact O-N 3.04Å; E365-L402 HydrophobicContact CG-CD1 3.72Å; S400-L402 PolarHBondContact O-N 3.01Å
403	A	84.8	Confident	89.8	Confident	75 Å²	75	47.2 Å²	47.2	62%	0.62	26%	0.263	S	S	*	.			trans	-57.4	0	-165.1	0	0	0	0	0	114.9	N295 V297 V315 K401	N295-A403 VanDerWaalsContact O-CB 3.31Å; N295-A403 WeakPolarHBondContact O-CB 3.44Å; N295-A403 PolarHBondContact O-N 3.12Å; V297-A403 HydrophobicContact CG2-CB 4.38Å; V315-A403 HydrophobicContact CB-CB 4.46Å; V315-A403 HydrophobicContact CG1-CB 3.61Å; V315-A403 HydrophobicContact CG2-CB 4.01Å; K401-A403 PolarHBondContact NZ-OXT 3.37Å

Retrieved 403 of 403 residues in 241.1 ms (Link to these results)

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