A0A077ZC75_TRITR Loading...

Cyclic nucleotide gated cation channel

AlphaFold DB , UniProt , Accession A0A077ZC75, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 623 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	34.2	Very low	41.7	Very low	248 Å²	248	133.4 Å²	133.4	100%	1.222	70%	0.701	S	S	*	*				0	86.1	0	-81.3	178	169.4	0	0	109.7
2	I	36.7	Very low	42.1	Very low	156 Å²	156	131 Å²	131	80%	0.8	69%	0.689	S	S	*	*			trans	-142.7	130.8	155.5	-59	-179.2	0	0	0	103.9	S4	I2-S4 PolarHBondContact O-N 3.18Å
3	P	37.8	Very low	42.1	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	68%	0.681	S	S	*	*			trans	-73.8	127.8	-164.5	-10.7	26.5	0	0	0	112.2	Q5 S6	P3-Q5 PolarHBondContact O-N 3.14Å; P3-Q5 VanDerWaalsContact O-N 3.13Å; P3-S6 PolarHBondContact O-OG 3.46Å
4	S	48	Very low	41.7	Very low	100 Å²	100	137 Å²	137	70%	0.699	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-65.8	-6.2	-178.1	49.3	0	0	0	0	115.4	I2 S6	I2-S4 PolarHBondContact O-N 3.18Å; S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 3.16Å
5	Q	44.2	Very low	41.8	Very low	147 Å²	147	131.5 Å²	131.5	69%	0.687	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-79	-3.6	-176.4	-68.6	-169.5	-10.6	0	0	115.3	P3	P3-Q5 PolarHBondContact O-N 3.14Å; P3-Q5 VanDerWaalsContact O-N 3.13Å
6	S	42.6	Very low	41.7	Very low	68 Å²	68	129.9 Å²	129.9	48%	0.476	66%	0.658	S	S	.	*	G	3₁₀ helix	trans	-90.1	-26.7	-177.3	57	0	0	0	0	114.1	P3 S4	P3-S6 PolarHBondContact O-OG 3.46Å; S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 3.16Å
7	F	41.1	Very low	41.5	Very low	165 Å²	165	129.2 Å²	129.2	72%	0.724	65%	0.649	S	S	*	*	H	α-helix	trans	-77.9	-35.3	-178.4	-100.5	-93.3	0	0	0	112.9	R9 L10 A11	F7-R9 VanDerWaalsContact C-N 3.35Å; F7-R9 PolarHBondContact O-N 2.85Å; F7-L10 PolarHBondContact O-N 2.92Å; F7-A11 PolarHBondContact O-N 3.21Å; F7-A11 VanDerWaalsContact O-N 3.08Å
8	D	46	Very low	41.7	Very low	113 Å²	113	127 Å²	127	60%	0.604	64%	0.643	S	S	*	*	H	α-helix	trans	-69.8	-30.9	179.8	-66	-28.8	0	0	0	113	N12	D8-N12 WeakPolarHBondContact O-CB 3.46Å; D8-N12 PolarHBondContact O-N 3.24Å; D8-N12 VanDerWaalsContact O-N 3.11Å
9	R	43.1	Very low	41.5	Very low	194 Å²	194	126.4 Å²	126.4	73%	0.732	64%	0.641	S	S	*	*	H	α-helix	trans	-71.2	-32.6	174.6	-70.1	-171.4	-170.5	-173.7	4.1	112.4	F7 W13	F7-R9 VanDerWaalsContact C-N 3.35Å; F7-R9 PolarHBondContact O-N 2.85Å; R9-W13 WeakPolarHBondContact O-CB 3.29Å; R9-W13 PolarHBondContact O-N 2.96Å
10	L	41.6	Very low	41.4	Very low	109 Å²	109	123.1 Å²	123.1	57%	0.571	63%	0.63	S	S	*	*	H	α-helix	trans	-75.3	-36.7	177.2	-86.5	160.1	0	0	0	112.2	F7 R14	F7-L10 PolarHBondContact O-N 2.92Å; L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 PolarHBondContact O-N 2.94Å; L10-R14 VanDerWaalsContact O-N 3.08Å
11	A	43.8	Very low	41.5	Very low	61 Å²	61	119.7 Å²	119.7	50%	0.504	62%	0.618	S	S	.	*	H	α-helix	trans	-67	-46.1	175.1	0	0	0	0	0	112	F7 R14 S15	F7-A11 PolarHBondContact O-N 3.21Å; F7-A11 VanDerWaalsContact O-N 3.08Å; A11-R14 PolarHBondContact O-N 3.23Å; A11-S15 PolarHBondContact O-N 3.44Å
12	N	45.9	Very low	41.9	Very low	105 Å²	105	114.6 Å²	114.6	56%	0.561	59%	0.589	S	S	*	*	H	α-helix	trans	-68.6	-32.2	175.6	-86.1	-23.5	0	0	0	113.1	D8 S15 N16	D8-N12 WeakPolarHBondContact O-CB 3.46Å; D8-N12 PolarHBondContact O-N 3.24Å; D8-N12 VanDerWaalsContact O-N 3.11Å; N12-S15 PolarHBondContact O-OG 2.81Å; N12-N16 VanDerWaalsContact O-CB 3.31Å; N12-N16 WeakPolarHBondContact O-CB 3.39Å; N12-N16 PolarHBondContact O-N 3.34Å
13	W	41.9	Very low	42.2	Very low	155 Å²	155	110.3 Å²	110.3	59%	0.587	57%	0.572	S	S	*	*	H	α-helix	trans	-68.2	-37.2	174.4	-172.7	83.3	0	0	0	112.1	R9 K17	R9-W13 WeakPolarHBondContact O-CB 3.29Å; R9-W13 PolarHBondContact O-N 2.96Å; W13-K17 HydrophobicContact CH2-CD 3.87Å; W13-K17 VanDerWaalsContact CH2-NZ 3.31Å; W13-K17 HydrophobicContact CZ2-CD 3.84Å; W13-K17 HydrophobicContact CZ3-CD 4.23Å; W13-K17 VanDerWaalsContact O-CB 3.24Å; W13-K17 WeakPolarHBondContact O-CB 3.43Å; W13-K17 PolarHBondContact O-N 3.2Å; W13-K17 VanDerWaalsContact O-N 3.08Å
14	R	37.7	Very low	42.6	Very low	191 Å²	191	111.5 Å²	111.5	72%	0.721	57%	0.569	S	S	*	*	H	α-helix	trans	-72.6	-40	178.6	-136.6	177.9	-166.2	-178.7	4	112.1	L10 A11 V18	L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 PolarHBondContact O-N 2.94Å; L10-R14 VanDerWaalsContact O-N 3.08Å; A11-R14 PolarHBondContact O-N 3.23Å; R14-V18 VanDerWaalsContact O-CG2 3.23Å; R14-V18 WeakPolarHBondContact O-CG2 3.44Å; R14-V18 PolarHBondContact O-N 3.13Å
15	S	42.1	Very low	42.6	Very low	54 Å²	54	113.7 Å²	113.7	38%	0.378	57%	0.566	S	S	.	*	H	α-helix	trans	-69.5	-43.1	177.5	83	0	0	0	0	111.7	A11 N12 K17 V18 L19	A11-S15 PolarHBondContact O-N 3.44Å; N12-S15 PolarHBondContact O-OG 2.81Å; S15-K17 PolarHBondContact O-N 3.03Å; S15-V18 PolarHBondContact O-N 2.77Å; S15-L19 WeakPolarHBondContact O-CB 3.28Å; S15-L19 WeakPolarHBondContact O-CG 3.22Å; S15-L19 PolarHBondContact O-N 2.89Å
16	N	41.1	Very low	42.7	Very low	107 Å²	107	110.6 Å²	110.6	57%	0.572	55%	0.554	S	S	*	*	H	α-helix	trans	-66.7	-35.9	177.7	-84.6	-19.9	0	0	0	112.9	N12 S20	N12-N16 VanDerWaalsContact O-CB 3.31Å; N12-N16 WeakPolarHBondContact O-CB 3.39Å; N12-N16 PolarHBondContact O-N 3.34Å; N16-S20 WeakPolarHBondContact O-CB 3.45Å; N16-S20 PolarHBondContact O-N 3.13Å
17	K	38.8	Very low	43	Very low	118 Å²	118	111.5 Å²	111.5	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-73.2	-32.6	178.4	-154.8	176.6	-169.3	-178.4	0	112.6	W13 S15 S21	W13-K17 HydrophobicContact CH2-CD 3.87Å; W13-K17 VanDerWaalsContact CH2-NZ 3.31Å; W13-K17 HydrophobicContact CZ2-CD 3.84Å; W13-K17 HydrophobicContact CZ3-CD 4.23Å; W13-K17 VanDerWaalsContact O-CB 3.24Å; W13-K17 WeakPolarHBondContact O-CB 3.43Å; W13-K17 PolarHBondContact O-N 3.2Å; W13-K17 VanDerWaalsContact O-N 3.08Å; S15-K17 PolarHBondContact O-N 3.03Å; K17-S21 VanDerWaalsContact O-CB 3.26Å; K17-S21 WeakPolarHBondContact O-CB 3.25Å; K17-S21 PolarHBondContact O-N 2.9Å; K17-S21 PolarHBondContact O-OG 2.85Å
18	V	44.1	Very low	43.4	Very low	89 Å²	89	108.4 Å²	108.4	54%	0.539	54%	0.541	S	S	.	.	H	α-helix	trans	-72.2	-42.3	174	173.8	0	0	0	0	110.6	R14 S15 S21 K22	R14-V18 VanDerWaalsContact O-CG2 3.23Å; R14-V18 WeakPolarHBondContact O-CG2 3.44Å; R14-V18 PolarHBondContact O-N 3.13Å; S15-V18 PolarHBondContact O-N 2.77Å; V18-S21 PolarHBondContact O-OG 2.81Å; V18-S21 VanDerWaalsContact O-OG 3.11Å; V18-K22 WeakPolarHBondContact O-CB 3.34Å; V18-K22 PolarHBondContact O-N 2.76Å; V18-K22 VanDerWaalsContact O-N 3.11Å
19	L	38.8	Very low	43.6	Very low	115 Å²	115	107.7 Å²	107.7	60%	0.602	53%	0.533	S	S	*	.	H	α-helix	trans	-66.8	-42.6	175.9	-77	160.6	0	0	0	112.6	S15 K22 S23	S15-L19 WeakPolarHBondContact O-CB 3.28Å; S15-L19 WeakPolarHBondContact O-CG 3.22Å; S15-L19 PolarHBondContact O-N 2.89Å; L19-K22 PolarHBondContact O-N 2.83Å; L19-S23 PolarHBondContact O-N 2.97Å
20	S	39	Very low	43.9	Very low	60 Å²	60	103.5 Å²	103.5	42%	0.42	52%	0.524	S	S	.	.	H	α-helix	trans	-64.6	-43.8	174.2	141.7	0	0	0	0	111.8	N16 K22 S23 E24	N16-S20 WeakPolarHBondContact O-CB 3.45Å; N16-S20 PolarHBondContact O-N 3.13Å; S20-K22 PolarHBondContact O-N 2.94Å; S20-S23 PolarHBondContact O-N 3.43Å; S20-S23 PolarHBondContact O-OG 2.79Å; S20-E24 WeakPolarHBondContact O-CB 3.48Å; S20-E24 PolarHBondContact O-N 2.75Å
21	S	43.6	Very low	44.3	Very low	53 Å²	53	104.8 Å²	104.8	37%	0.371	53%	0.525	S	S	.	.	H	α-helix	trans	-68.5	-25.6	179.9	77.8	0	0	0	0	113.4	K17 V18 K25	K17-S21 VanDerWaalsContact O-CB 3.26Å; K17-S21 WeakPolarHBondContact O-CB 3.25Å; K17-S21 PolarHBondContact O-N 2.9Å; K17-S21 PolarHBondContact O-OG 2.85Å; V18-S21 PolarHBondContact O-OG 2.81Å; V18-S21 VanDerWaalsContact O-OG 3.11Å; S21-K25 WeakPolarHBondContact O-CB 3.45Å; S21-K25 VanDerWaalsContact O-CG 3.26Å; S21-K25 WeakPolarHBondContact O-CG 3.41Å; S21-K25 PolarHBondContact O-N 3.47Å
22	K	42.8	Very low	44.5	Very low	141 Å²	141	108.5 Å²	108.5	61%	0.613	53%	0.529	S	S	*	.	H	α-helix	trans	-80.5	-46.4	177.3	-156.5	172.6	-176.4	-177.9	0	110.1	V18 L19 S20 E24 K25 D26	V18-K22 WeakPolarHBondContact O-CB 3.34Å; V18-K22 PolarHBondContact O-N 2.76Å; V18-K22 VanDerWaalsContact O-N 3.11Å; L19-K22 PolarHBondContact O-N 2.83Å; S20-K22 PolarHBondContact O-N 2.94Å; K22-E24 PolarHBondContact O-N 3.21Å; K22-K25 PolarHBondContact O-N 3.33Å; K22-D26 VanDerWaalsContact O-CB 3.31Å; K22-D26 WeakPolarHBondContact O-CB 3.47Å; K22-D26 PolarHBondContact O-N 3.25Å
23	S	42.3	Very low	44.6	Very low	65 Å²	65	108.8 Å²	108.8	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-65.8	-37	176.5	86	0	0	0	0	112.7	L19 S20 D26 D27	L19-S23 PolarHBondContact O-N 2.97Å; S20-S23 PolarHBondContact O-N 3.43Å; S20-S23 PolarHBondContact O-OG 2.79Å; S23-D26 PolarHBondContact O-N 3.42Å; S23-D27 VanDerWaalsContact O-CB 3.31Å; S23-D27 WeakPolarHBondContact O-CB 3.32Å; S23-D27 PolarHBondContact O-N 2.87Å
24	E	47.1	Very low	44.7	Very low	131 Å²	131	103.9 Å²	103.9	61%	0.612	52%	0.518	S	S	*	.	H	α-helix	trans	-71.9	-35.9	-179.2	-161.5	171.5	-152.5	0	0	111.7	S20 K22 E28	S20-E24 WeakPolarHBondContact O-CB 3.48Å; S20-E24 PolarHBondContact O-N 2.75Å; K22-E24 PolarHBondContact O-N 3.21Å; E24-E28 WeakPolarHBondContact O-CB 3.47Å; E24-E28 PolarHBondContact O-N 3.2Å
25	K	47.5	Very low	45.2	Very low	146 Å²	146	97.5 Å²	97.5	64%	0.635	50%	0.501	S	S	*	.	H	α-helix	trans	-71.3	-37.9	171.4	-77.8	-179.2	179.2	180	0	112.6	S21 K22 F29	S21-K25 WeakPolarHBondContact O-CB 3.45Å; S21-K25 VanDerWaalsContact O-CG 3.26Å; S21-K25 WeakPolarHBondContact O-CG 3.41Å; S21-K25 PolarHBondContact O-N 3.47Å; K22-K25 PolarHBondContact O-N 3.33Å; K25-F29 VanDerWaalsContact O-CB 3.22Å; K25-F29 WeakPolarHBondContact O-CB 3.27Å; K25-F29 PolarHBondContact O-N 3.43Å
26	D	47	Very low	45.3	Very low	83 Å²	83	97 Å²	97	44%	0.444	50%	0.504	S	S	.	.	H	α-helix	trans	-67.6	-39.5	176.4	-68.3	-20.9	0	0	0	110.4	K22 S23 F29 I30	K22-D26 VanDerWaalsContact O-CB 3.31Å; K22-D26 WeakPolarHBondContact O-CB 3.47Å; K22-D26 PolarHBondContact O-N 3.25Å; S23-D26 PolarHBondContact O-N 3.42Å; D26-F29 PolarHBondContact O-N 3.36Å; D26-I30 WeakPolarHBondContact O-CB 3.44Å; D26-I30 WeakPolarHBondContact O-CG1 3.5Å; D26-I30 PolarHBondContact O-N 3.41Å
27	D	48.6	Very low	45.4	Very low	86 Å²	86	95.3 Å²	95.3	46%	0.46	50%	0.5	S	S	.	.	H	α-helix	trans	-67.3	-40.9	174.4	-81.5	-15	0	0	0	112.6	S23 F29 I30 K31	S23-D27 VanDerWaalsContact O-CB 3.31Å; S23-D27 WeakPolarHBondContact O-CB 3.32Å; S23-D27 PolarHBondContact O-N 2.87Å; D27-F29 VanDerWaalsContact C-N 3.35Å; D27-I30 PolarHBondContact O-N 3.07Å; D27-K31 WeakPolarHBondContact O-CB 3.46Å; D27-K31 WeakPolarHBondContact O-CG 3.38Å; D27-K31 PolarHBondContact O-N 3.49Å
28	E	49.3	Very low	45.8	Very low	100 Å²	100	91.6 Å²	91.6	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-38.2	175.5	-159.8	-165.8	150.1	0	0	111.4	E24 K31 K32	E24-E28 WeakPolarHBondContact O-CB 3.47Å; E24-E28 PolarHBondContact O-N 3.2Å; E28-K31 PolarHBondContact O-N 3.43Å; E28-K32 PolarHBondContact O-N 3.5Å; E28-K32 IonicContact OE1-NZ 3.34Å; E28-K32 PolarHBondContact OE1-NZ 3.23Å
29	F	50.1	Low	46	Very low	99 Å²	99	90 Å²	90	43%	0.434	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-47.6	173.4	-178.4	-89.5	0	0	0	111.4	K25 D26 D27 K31 K32 F33 K411	K25-F29 VanDerWaalsContact O-CB 3.22Å; K25-F29 WeakPolarHBondContact O-CB 3.27Å; K25-F29 PolarHBondContact O-N 3.43Å; D26-F29 PolarHBondContact O-N 3.36Å; D27-F29 VanDerWaalsContact C-N 3.35Å; F29-K31 VanDerWaalsContact C-N 3.31Å; F29-K31 PolarHBondContact O-N 3.27Å; F29-K32 PolarHBondContact O-N 2.8Å; F29-F33 AromaticContact CE1-CD2 3.94Å; F29-F33 HydrophobicContact CE1-CD2 3.94Å; F29-F33 HydrophobicContact CE1-CG 4.45Å; F29-F33 AromaticContact CZ-CD2 3.93Å; F29-F33 HydrophobicContact CZ-CD2 3.93Å; F29-F33 HydrophobicContact CZ-CE2 4.23Å; F29-F33 WeakPolarHBondContact O-CB 3.08Å; F29-F33 PolarHBondContact O-N 2.83Å; F29-K411 HydrophobicContact CE2-CD 3.91Å
30	I	49.9	Very low	46.4	Very low	105 Å²	105	87.4 Å²	87.4	54%	0.538	48%	0.482	S	S	.	.	H	α-helix	trans	-60.9	-41.2	176.7	-72.1	168.2	0	0	0	110.2	D26 D27 F33 A34	D26-I30 WeakPolarHBondContact O-CB 3.44Å; D26-I30 WeakPolarHBondContact O-CG1 3.5Å; D26-I30 PolarHBondContact O-N 3.41Å; D27-I30 PolarHBondContact O-N 3.07Å; I30-F33 PolarHBondContact O-N 2.84Å; I30-A34 WeakPolarHBondContact O-CB 3.39Å; I30-A34 PolarHBondContact O-N 3.36Å
31	K	48.2	Very low	47	Very low	136 Å²	136	87.3 Å²	87.3	59%	0.591	49%	0.485	S	S	*	.	H	α-helix	trans	-61.8	-46.9	174.8	-75.5	170	-174.9	174.1	0	111.9	D27 E28 F29 A34 V35	D27-K31 WeakPolarHBondContact O-CB 3.46Å; D27-K31 WeakPolarHBondContact O-CG 3.38Å; D27-K31 PolarHBondContact O-N 3.49Å; E28-K31 PolarHBondContact O-N 3.43Å; F29-K31 VanDerWaalsContact C-N 3.31Å; F29-K31 PolarHBondContact O-N 3.27Å; K31-A34 PolarHBondContact O-N 2.88Å; K31-V35 WeakPolarHBondContact O-CG2 3.41Å; K31-V35 PolarHBondContact O-N 3.43Å
32	K	48.8	Very low	47.5	Very low	139 Å²	139	86.4 Å²	86.4	60%	0.604	47%	0.474	S	S	*	.	H	α-helix	trans	-64.9	-39.9	177	-79.7	172.1	171.8	159.7	0	112.5	E28 F29 V35 G36	E28-K32 PolarHBondContact O-N 3.5Å; E28-K32 IonicContact OE1-NZ 3.34Å; E28-K32 PolarHBondContact OE1-NZ 3.23Å; F29-K32 PolarHBondContact O-N 2.8Å; K32-V35 PolarHBondContact O-N 3.13Å; K32-G36 PolarHBondContact O-N 2.89Å; K32-G36 VanDerWaalsContact O-N 3.16Å
33	F	48.9	Very low	48	Very low	112 Å²	112	82.5 Å²	82.5	49%	0.491	47%	0.467	S	S	.	.	H	α-helix	trans	-69.1	-37.8	176.9	-139.9	-90.7	0	0	0	111.7	F29 I30 V35 G36 C37	F29-F33 AromaticContact CE1-CD2 3.94Å; F29-F33 HydrophobicContact CE1-CD2 3.94Å; F29-F33 HydrophobicContact CE1-CG 4.45Å; F29-F33 AromaticContact CZ-CD2 3.93Å; F29-F33 HydrophobicContact CZ-CD2 3.93Å; F29-F33 HydrophobicContact CZ-CE2 4.23Å; F29-F33 WeakPolarHBondContact O-CB 3.08Å; F29-F33 PolarHBondContact O-N 2.83Å; I30-F33 PolarHBondContact O-N 2.84Å; F33-V35 VanDerWaalsContact C-N 3.35Å; F33-V35 PolarHBondContact O-N 3.14Å; F33-G36 PolarHBondContact O-N 2.85Å; F33-C37 WeakPolarHBondContact O-CB 3.49Å; F33-C37 PolarHBondContact O-N 2.94Å
34	A	44	Very low	48.5	Very low	51 Å²	51	84.5 Å²	84.5	42%	0.421	47%	0.473	S	S	.	.	H	α-helix	trans	-64.2	-37.6	174.5	0	0	0	0	0	111.9	I30 K31 A38	I30-A34 WeakPolarHBondContact O-CB 3.39Å; I30-A34 PolarHBondContact O-N 3.36Å; K31-A34 PolarHBondContact O-N 2.88Å; A34-A38 WeakPolarHBondContact O-CB 3.36Å; A34-A38 PolarHBondContact O-N 2.81Å
35	V	48.4	Very low	48.9	Very low	58 Å²	58	84.6 Å²	84.6	35%	0.352	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-44.2	173.5	173.9	0	0	0	0	111.1	K31 K32 F33 A38 A39 L181	K31-V35 WeakPolarHBondContact O-CG2 3.41Å; K31-V35 PolarHBondContact O-N 3.43Å; K32-V35 PolarHBondContact O-N 3.13Å; F33-V35 VanDerWaalsContact C-N 3.35Å; F33-V35 PolarHBondContact O-N 3.14Å; V35-A38 PolarHBondContact O-N 3.4Å; V35-A39 WeakPolarHBondContact O-CB 3.3Å; V35-A39 PolarHBondContact O-N 2.98Å; V35-L181 HydrophobicContact CG2-CD2 3.83Å
36	G	42.3	Very low	49.2	Very low	43 Å²	43	79.1 Å²	79.1	44%	0.443	45%	0.452	S	S	.	.	H	α-helix	trans	-63.4	-48	176.2	0	0	0	0	0	113.3	K32 F33 A39 A40	K32-G36 PolarHBondContact O-N 2.89Å; K32-G36 VanDerWaalsContact O-N 3.16Å; F33-G36 PolarHBondContact O-N 2.85Å; G36-A39 PolarHBondContact O-N 2.94Å; G36-A40 WeakPolarHBondContact O-CB 3.28Å; G36-A40 PolarHBondContact O-N 2.99Å
37	C	43.6	Very low	49.6	Very low	72 Å²	72	83.6 Å²	83.6	49%	0.486	47%	0.468	S	S	.	.	H	α-helix	trans	-65	-37.3	175.6	-82.3	0	0	0	0	112.4	F33 A40 A41	F33-C37 WeakPolarHBondContact O-CB 3.49Å; F33-C37 PolarHBondContact O-N 2.94Å; C37-A40 PolarHBondContact O-N 2.93Å; C37-A41 WeakPolarHBondContact O-CB 3.43Å; C37-A41 PolarHBondContact O-N 2.91Å
38	A	47.9	Very low	50	Low	39 Å²	39	90.9 Å²	90.9	32%	0.322	49%	0.489	S	S	.	.	H	α-helix	trans	-68.8	-36.5	176.2	0	0	0	0	0	112.1	A34 V35 Y42	A34-A38 WeakPolarHBondContact O-CB 3.36Å; A34-A38 PolarHBondContact O-N 2.81Å; V35-A38 PolarHBondContact O-N 3.4Å; A38-Y42 VanDerWaalsContact O-CB 3.26Å; A38-Y42 WeakPolarHBondContact O-CB 3.39Å; A38-Y42 PolarHBondContact O-N 3.28Å
39	A	47.4	Very low	50.5	Low	57 Å²	57	88.8 Å²	88.8	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-68	-41.2	173.5	0	0	0	0	0	111.7	V35 G36 A43	V35-A39 WeakPolarHBondContact O-CB 3.3Å; V35-A39 PolarHBondContact O-N 2.98Å; G36-A39 PolarHBondContact O-N 2.94Å; A39-A43 WeakPolarHBondContact O-CB 3.36Å; A39-A43 PolarHBondContact O-N 3.1Å
40	A	48.2	Very low	51.3	Low	59 Å²	59	86 Å²	86	49%	0.488	48%	0.484	S	S	.	.	H	α-helix	trans	-66.6	-44	175.1	0	0	0	0	0	112.2	G36 C37 A43 D44	G36-A40 WeakPolarHBondContact O-CB 3.28Å; G36-A40 PolarHBondContact O-N 2.99Å; C37-A40 PolarHBondContact O-N 2.93Å; A40-A43 WeakPolarHBondContact O-CB 3.48Å; A40-A43 PolarHBondContact O-N 3.05Å; A40-D44 PolarHBondContact O-N 2.98Å
41	A	51.5	Low	52.1	Low	58 Å²	58	86.3 Å²	86.3	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-63.6	-40.6	175.9	0	0	0	0	0	112	C37 D44 E45	C37-A41 WeakPolarHBondContact O-CB 3.43Å; C37-A41 PolarHBondContact O-N 2.91Å; A41-D44 PolarHBondContact O-N 3.27Å; A41-E45 WeakPolarHBondContact O-CB 3.36Å; A41-E45 PolarHBondContact O-N 3Å
42	Y	53.2	Low	53.1	Low	35 Å²	35	86 Å²	86	14%	0.137	49%	0.486	C	S	.	.	H	α-helix	trans	-66	-39.4	173.3	-177.4	-99.6	0	0	0	111.9	A38 D44 E45 V46 V59 V61	A38-Y42 VanDerWaalsContact O-CB 3.26Å; A38-Y42 WeakPolarHBondContact O-CB 3.39Å; A38-Y42 PolarHBondContact O-N 3.28Å; Y42-D44 VanDerWaalsContact C-N 3.31Å; Y42-D44 PolarHBondContact O-N 3.38Å; Y42-E45 PolarHBondContact O-N 3.3Å; Y42-V46 HydrophobicContact CD1-CG2 4.19Å; Y42-V46 HydrophobicContact CE1-CG2 3.83Å; Y42-V46 HydrophobicContact CE2-CG2 4.27Å; Y42-V46 WeakPolarHBondContact O-CG2 3.17Å; Y42-V46 PolarHBondContact O-N 2.97Å; Y42-V59 PolarHBondContact OH-O 3Å; Y42-V59 VanDerWaalsContact OH-O 3.13Å; Y42-V61 HydrophobicContact CD1-CB 4.13Å; Y42-V61 HydrophobicContact CD1-CG2 3.79Å; Y42-V61 HydrophobicContact CD2-CG2 4.38Å; Y42-V61 HydrophobicContact CE1-CB 3.67Å; Y42-V61 HydrophobicContact CE1-CG2 3.56Å; Y42-V61 HydrophobicContact CE2-CG2 4.17Å; Y42-V61 HydrophobicContact CG-CG2 4.19Å; Y42-V61 PolarHBondContact OH-N 3.28Å
43	A	53.4	Low	54.1	Low	58 Å²	58	80.1 Å²	80.1	48%	0.479	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-39.7	174.9	0	0	0	0	0	111.7	A39 A40 K47	A39-A43 WeakPolarHBondContact O-CB 3.36Å; A39-A43 PolarHBondContact O-N 3.1Å; A40-A43 WeakPolarHBondContact O-CB 3.48Å; A40-A43 PolarHBondContact O-N 3.05Å; A43-K47 WeakPolarHBondContact O-CB 3.36Å; A43-K47 PolarHBondContact O-N 3.11Å; A43-K47 VanDerWaalsContact O-N 3.07Å
44	D	53.2	Low	55.3	Low	108 Å²	108	75 Å²	75	58%	0.578	44%	0.442	S	S	*	.	H	α-helix	trans	-70	-37.8	175.1	-109.7	2.8	0	0	0	112.9	A40 A41 Y42 K47 R48	A40-D44 PolarHBondContact O-N 2.98Å; A41-D44 PolarHBondContact O-N 3.27Å; Y42-D44 VanDerWaalsContact C-N 3.31Å; Y42-D44 PolarHBondContact O-N 3.38Å; D44-K47 PolarHBondContact O-N 2.94Å; D44-R48 PolarHBondContact O-N 2.76Å; D44-R48 VanDerWaalsContact O-N 3.09Å
45	E	55.6	Low	56.6	Low	133 Å²	133	75.2 Å²	75.2	62%	0.621	44%	0.436	S	S	*	.	H	α-helix	trans	-67	-39.1	177.3	-167.6	170.7	-165.4	0	0	112.1	A41 Y42 R48 S49	A41-E45 WeakPolarHBondContact O-CB 3.36Å; A41-E45 PolarHBondContact O-N 3Å; Y42-E45 PolarHBondContact O-N 3.3Å; E45-R48 PolarHBondContact O-N 3.44Å; E45-S49 WeakPolarHBondContact O-CB 3.34Å; E45-S49 PolarHBondContact O-N 3.2Å; E45-S49 VanDerWaalsContact O-N 3.16Å; E45-S49 PolarHBondContact O-OG 3.47Å
46	V	53.9	Low	57.7	Low	31 Å²	31	79.2 Å²	79.2	19%	0.188	45%	0.451	C	S	.	.	H	α-helix	trans	-68.9	-36.3	173.1	173.6	0	0	0	0	111.2	Y42 R48 S49 G50 W54 A66	Y42-V46 HydrophobicContact CD1-CG2 4.19Å; Y42-V46 HydrophobicContact CE1-CG2 3.83Å; Y42-V46 HydrophobicContact CE2-CG2 4.27Å; Y42-V46 WeakPolarHBondContact O-CG2 3.17Å; Y42-V46 PolarHBondContact O-N 2.97Å; V46-R48 VanDerWaalsContact C-N 3.28Å; V46-R48 PolarHBondContact O-N 3.42Å; V46-S49 PolarHBondContact O-N 3.25Å; V46-G50 PolarHBondContact O-N 3.44Å; V46-W54 HydrophobicContact CG1-CB 4.32Å; V46-A66 HydrophobicContact CG1-CB 4.08Å
47	K	55.6	Low	59.1	Low	177 Å²	177	78.3 Å²	78.3	77%	0.77	44%	0.438	S	S	*	.	H	α-helix	trans	-65.7	-31	177.5	-154.1	177	-175.5	-175.3	0	112.3	A43 D44	A43-K47 WeakPolarHBondContact O-CB 3.36Å; A43-K47 PolarHBondContact O-N 3.11Å; A43-K47 VanDerWaalsContact O-N 3.07Å; D44-K47 PolarHBondContact O-N 2.94Å
48	R	56.2	Low	60.5	Low	238 Å²	238	82.9 Å²	82.9	90%	0.898	45%	0.45	S	S	*	.	H	α-helix	trans	-80.6	-30.7	175.7	-90.2	-178.7	171.3	158	-0.7	114.6	D44 E45 V46	D44-R48 PolarHBondContact O-N 2.76Å; D44-R48 VanDerWaalsContact O-N 3.09Å; E45-R48 PolarHBondContact O-N 3.44Å; V46-R48 VanDerWaalsContact C-N 3.28Å; V46-R48 PolarHBondContact O-N 3.42Å
49	S	59.7	Low	61.9	Low	56 Å²	56	82.1 Å²	82.1	39%	0.392	44%	0.441	S	S	.	.	H	α-helix	trans	-94.1	-7.8	-169.6	58.5	0	0	0	0	114.6	E45 V46 G53	E45-S49 WeakPolarHBondContact O-CB 3.34Å; E45-S49 PolarHBondContact O-N 3.2Å; E45-S49 VanDerWaalsContact O-N 3.16Å; E45-S49 PolarHBondContact O-OG 3.47Å; V46-S49 PolarHBondContact O-N 3.25Å; S49-G53 WeakPolarHBondContact O-CA 3.5Å; S49-G53 PolarHBondContact O-N 3.26Å
50	G	67.2	Low	63.3	Low	40 Å²	40	79.6 Å²	79.6	41%	0.412	42%	0.42	S	S	.	.	H	α-helix	trans	65.9	-179.4	179.8	0	0	0	0	0	113	V46 L52 G53 W54	V46-G50 PolarHBondContact O-N 3.44Å; G50-L52 VanDerWaalsContact C-N 3.32Å; G50-L52 PolarHBondContact O-N 3.4Å; G50-G53 PolarHBondContact O-N 2.92Å; G50-W54 PolarHBondContact O-N 2.83Å
51	F	67.9	Low	64.5	Low	113 Å²	113	77.8 Å²	77.8	50%	0.496	40%	0.402	S	S	.	.	H	α-helix	trans	-60.4	-40.2	-177.7	178.7	-103.6	0	0	0	112.9	W54 L55 W70	F51-W54 HydrophobicContact CD2-CE3 4.35Å; F51-W54 HydrophobicContact CE2-CE3 4.09Å; F51-W54 HydrophobicContact CE2-CZ3 4.16Å; F51-W54 PolarHBondContact O-N 3.22Å; F51-L55 HydrophobicContact CE1-CD1 4.43Å; F51-L55 HydrophobicContact CZ-CD1 4.23Å; F51-L55 PolarHBondContact O-N 3.5Å; F51-W70 HydrophobicContact CE2-CE3 4.21Å; F51-W70 AromaticContact CZ-CE3 3.96Å; F51-W70 HydrophobicContact CZ-CE3 3.96Å; F51-W70 AromaticContact CZ-CZ3 3.93Å; F51-W70 HydrophobicContact CZ-CZ3 3.93Å
52	L	69.2	Low	65.4	Low	129 Å²	129	75 Å²	75	68%	0.675	38%	0.379	S	S	*	.	H	α-helix	trans	-65.1	-41.1	178.9	-122.2	113.4	0	0	0	111.9	G50 L55 Q56	G50-L52 VanDerWaalsContact C-N 3.32Å; G50-L52 PolarHBondContact O-N 3.4Å; L52-L55 PolarHBondContact O-N 3.39Å; L52-Q56 WeakPolarHBondContact O-CG 3.18Å; L52-Q56 PolarHBondContact O-N 2.88Å; L52-Q56 VanDerWaalsContact O-N 3.14Å
53	G	68.9	Low	66.1	Low	16 Å²	16	77.3 Å²	77.3	17%	0.165	39%	0.388	C	S	.	.	H	α-helix	trans	-67	-35.8	175.9	0	0	0	0	0	112.8	S49 G50 Q56 S57	S49-G53 WeakPolarHBondContact O-CA 3.5Å; S49-G53 PolarHBondContact O-N 3.26Å; G50-G53 PolarHBondContact O-N 2.92Å; G53-Q56 CarbonylContact O-C 3.55Å; G53-Q56 PolarHBondContact O-N 2.75Å; G53-S57 PolarHBondContact O-N 2.8Å; G53-S57 VanDerWaalsContact O-N 3.11Å
54	W	75.1	Confident	66.9	Low	4 Å²	4	75.3 Å²	75.3	2%	0.015	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-43.4	171.2	175.5	77.9	0	0	0	112.3	V46 G50 F51 Q56 S57 V60 A66 Y67 W70 V119	V46-W54 HydrophobicContact CG1-CB 4.32Å; G50-W54 PolarHBondContact O-N 2.83Å; F51-W54 HydrophobicContact CD2-CE3 4.35Å; F51-W54 HydrophobicContact CE2-CE3 4.09Å; F51-W54 HydrophobicContact CE2-CZ3 4.16Å; F51-W54 PolarHBondContact O-N 3.22Å; W54-Q56 PolarHBondContact O-N 3.49Å; W54-S57 WeakPolarHBondContact O-CB 3.49Å; W54-S57 PolarHBondContact O-N 3.43Å; W54-S57 PolarHBondContact O-OG 3.14Å; W54-V60 HydrophobicContact CZ2-CG1 3.62Å; W54-V60 HydrophobicContact CZ2-CG2 4.42Å; W54-A66 HydrophobicContact CB-CB 4.41Å; W54-A66 VanDerWaalsContact CD1-CB 3.41Å; W54-A66 HydrophobicContact CD2-CB 3.7Å; W54-A66 HydrophobicContact CG-CB 3.57Å; W54-A66 HydrophobicContact CZ2-CB 4.35Å; W54-Y67 HydrophobicContact CZ2-CD2 4.48Å; W54-W70 HydrophobicContact CH2-CB 3.56Å; W54-W70 HydrophobicContact CH2-CD2 4.12Å; W54-W70 AromaticContact CH2-CG 3.66Å; W54-W70 HydrophobicContact CH2-CG 3.66Å; W54-W70 HydrophobicContact CZ2-CB 4.39Å; W54-W70 HydrophobicContact CZ3-CB 4.09Å; W54-W70 HydrophobicContact CZ3-CD2 4.16Å; W54-W70 HydrophobicContact CZ3-CE3 4.14Å; W54-W70 HydrophobicContact CZ3-CG 4.14Å; W54-V119 HydrophobicContact CH2-CG1 4.15Å; W54-V119 HydrophobicContact CH2-CG2 4.18Å; W54-V119 HydrophobicContact CZ2-CG1 4.46Å
55	L	70.6	Confident	68.2	Low	55 Å²	55	75 Å²	75	29%	0.288	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-29.5	177.7	-154.6	100.2	0	0	0	112.3	F51 L52 S57 W70 F115 R122	F51-L55 HydrophobicContact CE1-CD1 4.43Å; F51-L55 HydrophobicContact CZ-CD1 4.23Å; F51-L55 PolarHBondContact O-N 3.5Å; L52-L55 PolarHBondContact O-N 3.39Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-W70 HydrophobicContact CD1-CZ3 4.43Å; L55-F115 HydrophobicContact CD2-CD1 4.42Å; L55-F115 HydrophobicContact CD2-CE1 4.3Å; L55-R122 PolarHBondContact O-NH1 3Å
56	Q	72	Confident	69.4	Low	142 Å²	142	69.6 Å²	69.6	66%	0.664	35%	0.35	S	S	*	.	H	α-helix	trans	-82.5	-9.2	174.9	-70.1	178	-15.8	0	0	113.6	L52 G53 W54 K58	L52-Q56 WeakPolarHBondContact O-CG 3.18Å; L52-Q56 PolarHBondContact O-N 2.88Å; L52-Q56 VanDerWaalsContact O-N 3.14Å; G53-Q56 CarbonylContact O-C 3.55Å; G53-Q56 PolarHBondContact O-N 2.75Å; W54-Q56 PolarHBondContact O-N 3.49Å; Q56-K58 PolarHBondContact O-N 2.99Å
57	S	70.3	Confident	70.8	Confident	24 Å²	24	68.1 Å²	68.1	17%	0.168	34%	0.341	C	S	.	.			trans	-60.4	137	179.7	71.5	0	0	0	0	111	G53 W54 L55 V59 R122	G53-S57 PolarHBondContact O-N 2.8Å; G53-S57 VanDerWaalsContact O-N 3.11Å; W54-S57 WeakPolarHBondContact O-CB 3.49Å; W54-S57 PolarHBondContact O-N 3.43Å; W54-S57 PolarHBondContact O-OG 3.14Å; L55-S57 VanDerWaalsContact C-N 3.34Å; S57-V59 VanDerWaalsContact C-N 3.34Å; S57-R122 PolarHBondContact O-NH1 3Å
58	K	73.7	Confident	72.2	Confident	169 Å²	169	61.5 Å²	61.5	74%	0.735	31%	0.311	S	S	*	.	S	Bend	trans	-67	-37.9	-180	-72.4	-176.3	178.5	177.6	0	111.3	Q56 L186	Q56-K58 PolarHBondContact O-N 2.99Å; K58-L186 WeakPolarHBondContact O-CD2 3.17Å
59	V	77.9	Confident	73.8	Confident	23 Å²	23	57 Å²	57	14%	0.139	30%	0.296	C	S	.	.	S	Bend	trans	-128.7	131.4	-178.6	-178.8	0	0	0	0	109	Y42 S57 R184 L189	Y42-V59 PolarHBondContact OH-O 3Å; Y42-V59 VanDerWaalsContact OH-O 3.13Å; S57-V59 VanDerWaalsContact C-N 3.34Å; V59-R184 HydrophobicContact CG1-CG 4.47Å; V59-R184 HydrophobicContact CG2-CB 4.08Å; V59-R184 WeakPolarHBondContact CG2-O 3.48Å; V59-L189 HydrophobicContact CG1-CD1 4.12Å
60	V	76.4	Confident	75.3	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.024	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-103.8	120	-179.7	179.5	0	0	0	0	108.9	W54 Y67 V119 R122	W54-V60 HydrophobicContact CZ2-CG1 3.62Å; W54-V60 HydrophobicContact CZ2-CG2 4.42Å; V60-Y67 HydrophobicContact CG1-CD2 3.6Å; V60-Y67 HydrophobicContact CG1-CG 4.29Å; V60-V119 HydrophobicContact CG1-CG1 4.27Å; V60-V119 HydrophobicContact CG2-CG1 4.43Å; V60-R122 HydrophobicContact CG2-CB 4.14Å; V60-R122 PolarHBondContact N-O 3Å
61	V	71.8	Confident	76.3	Confident	20 Å²	20	53 Å²	53	12%	0.121	26%	0.259	C	S	.	.			trans	-81.2	123	177.2	179.2	0	0	0	0	109	Y42 Y63 G64 I182	Y42-V61 HydrophobicContact CD1-CB 4.13Å; Y42-V61 HydrophobicContact CD1-CG2 3.79Å; Y42-V61 HydrophobicContact CD2-CG2 4.38Å; Y42-V61 HydrophobicContact CE1-CB 3.67Å; Y42-V61 HydrophobicContact CE1-CG2 3.56Å; Y42-V61 HydrophobicContact CE2-CG2 4.17Å; Y42-V61 HydrophobicContact CG-CG2 4.19Å; Y42-V61 PolarHBondContact OH-N 3.28Å; V61-Y63 HydrophobicContact CG1-CD2 3.88Å; V61-Y63 PolarHBondContact O-N 3Å; V61-G64 PolarHBondContact O-N 3.44Å; V61-G64 VanDerWaalsContact O-N 3.09Å; V61-I182 HydrophobicContact CG1-CD1 4.02Å
62	P	71	Confident	77.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.8	-174.4	23.2	-32.8	0	0	0	113.4	Y67 T123 R240	P62-Y67 WeakPolarHBondContact O-CD1 3.37Å; P62-T123 HydrophobicContact CB-CG2 3.94Å; P62-T123 HydrophobicContact CG-CG2 4.44Å; P62-R240 PolarHBondContact O-NH1 3.34Å
63	Y	67.9	Low	78.7	Confident	83 Å²	83	46 Å²	46	33%	0.325	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.1	178.5	-41.8	-73.2	0	0	0	114.2	V61 T173 N174 G175 R244	V61-Y63 HydrophobicContact CG1-CD2 3.88Å; V61-Y63 PolarHBondContact O-N 3Å; Y63-T173 HydrophobicContact CE1-CG2 4.49Å; Y63-T173 WeakPolarHBondContact OH-CA 3.41Å; Y63-T173 WeakPolarHBondContact OH-CB 3.09Å; Y63-T173 PolarHBondContact OH-O 3.32Å; Y63-N174 HydrophobicContact CE1-CB 4.25Å; Y63-N174 PolarHBondContact OH-N 3.2Å; Y63-G175 VanDerWaalsContact OH-CA 3.3Å; Y63-G175 WeakPolarHBondContact OH-CA 3.26Å; Y63-G175 PolarHBondContact OH-N 2.85Å; Y63-R244 PolarHBondContact O-NH2 3.48Å
64	G	70.5	Confident	79.8	Confident	17 Å²	17	45.2 Å²	45.2	18%	0.175	22%	0.222	C	C	.	.	S	Bend	trans	-63.6	146.6	-178.2	0	0	0	0	0	112	V61 A66 Y67 Y68	V61-G64 PolarHBondContact O-N 3.44Å; V61-G64 VanDerWaalsContact O-N 3.09Å; G64-A66 PolarHBondContact O-N 2.89Å; G64-Y67 PolarHBondContact O-N 2.87Å; G64-Y68 PolarHBondContact O-N 2.63Å; G64-Y68 VanDerWaalsContact O-N 3.11Å
65	N	80.3	Confident	80.7	Confident	101 Å²	101	45.3 Å²	45.3	54%	0.54	22%	0.223	S	C	.	.	H	α-helix	trans	-58.5	-37	173.7	-72.7	-21.1	0	0	0	112	Y68 Y69 R244	N65-Y68 WeakPolarHBondContact O-CB 3.35Å; N65-Y68 PolarHBondContact O-N 3.03Å; N65-Y69 HydrophobicContact CB-CD2 4.5Å; N65-Y69 HydrophobicContact CB-CE2 4.13Å; N65-Y69 WeakPolarHBondContact O-CD2 3.34Å; N65-Y69 PolarHBondContact O-N 3.43Å; N65-R244 PolarHBondContact OD1-NH1 3.45Å; N65-R244 PolarHBondContact OD1-NH2 3.17Å
66	A	81.1	Confident	81.8	Confident	19 Å²	19	47.5 Å²	47.5	16%	0.157	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-44.5	178.2	0	0	0	0	0	112.6	V46 W54 G64 Y68 Y69 W70	V46-A66 HydrophobicContact CG1-CB 4.08Å; W54-A66 HydrophobicContact CB-CB 4.41Å; W54-A66 VanDerWaalsContact CD1-CB 3.41Å; W54-A66 HydrophobicContact CD2-CB 3.7Å; W54-A66 HydrophobicContact CG-CB 3.57Å; W54-A66 HydrophobicContact CZ2-CB 4.35Å; G64-A66 PolarHBondContact O-N 2.89Å; A66-Y68 VanDerWaalsContact C-N 3.34Å; A66-Y68 PolarHBondContact O-N 3Å; A66-Y69 PolarHBondContact O-N 2.58Å; A66-W70 WeakPolarHBondContact O-CB 3.09Å; A66-W70 PolarHBondContact O-N 2.8Å
67	Y	84.1	Confident	82.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-38.9	174.9	-176.3	-81.5	0	0	0	111.4	W54 V60 P62 G64 Y69 W70 T71 V119 T123 E125	W54-Y67 HydrophobicContact CZ2-CD2 4.48Å; V60-Y67 HydrophobicContact CG1-CD2 3.6Å; V60-Y67 HydrophobicContact CG1-CG 4.29Å; P62-Y67 WeakPolarHBondContact O-CD1 3.37Å; G64-Y67 PolarHBondContact O-N 2.87Å; Y67-Y69 PolarHBondContact O-N 2.7Å; Y67-W70 WeakPolarHBondContact O-CB 3.3Å; Y67-W70 PolarHBondContact O-N 3.09Å; Y67-T71 HydrophobicContact CD1-CG2 3.8Å; Y67-T71 HydrophobicContact CE1-CG2 3.27Å; Y67-T71 WeakPolarHBondContact O-CG2 3.4Å; Y67-T71 PolarHBondContact O-N 3.33Å; Y67-T71 PolarHBondContact O-OG1 3.28Å; Y67-V119 HydrophobicContact CD2-CG1 4Å; Y67-V119 HydrophobicContact CE2-CG1 3.97Å; Y67-T123 HydrophobicContact CD2-CG2 4.26Å; Y67-T123 HydrophobicContact CE2-CG2 3.73Å; Y67-T123 WeakPolarHBondContact CE2-OG1 3.44Å; Y67-E125 PolarHBondContact OH-OE1 2.98Å
68	Y	85	Confident	83.9	Confident	38 Å²	38	40.3 Å²	40.3	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-57.5	-49.5	173.3	167.6	-100.6	0	0	0	112.2	G64 N65 A66 W70 T71 A72 F237 R240 T241	G64-Y68 PolarHBondContact O-N 2.63Å; G64-Y68 VanDerWaalsContact O-N 3.11Å; N65-Y68 WeakPolarHBondContact O-CB 3.35Å; N65-Y68 PolarHBondContact O-N 3.03Å; A66-Y68 VanDerWaalsContact C-N 3.34Å; A66-Y68 PolarHBondContact O-N 3Å; Y68-W70 VanDerWaalsContact C-N 3.3Å; Y68-W70 PolarHBondContact O-N 2.93Å; Y68-T71 PolarHBondContact O-N 3.37Å; Y68-T71 PolarHBondContact O-OG1 2.84Å; Y68-A72 PolarHBondContact O-N 3.35Å; Y68-F237 HydrophobicContact CE2-CD2 4.34Å; Y68-F237 AromaticContact CE2-CE2 3.95Å; Y68-F237 HydrophobicContact CE2-CE2 3.95Å; Y68-R240 HydrophobicContact CD2-CB 4.21Å; Y68-R240 HydrophobicContact CE2-CB 4.48Å; Y68-T241 PolarHBondContact OH-OG1 3.5Å
69	Y	89	Confident	84.8	Confident	144 Å²	144	35 Å²	35	57%	0.565	19%	0.186	S	C	*	.	H	α-helix	trans	-64.2	-35.7	176.1	-65.7	-57.8	0	0	0	112.4	N65 A66 Y67 A72 I73	N65-Y69 HydrophobicContact CB-CD2 4.5Å; N65-Y69 HydrophobicContact CB-CE2 4.13Å; N65-Y69 WeakPolarHBondContact O-CD2 3.34Å; N65-Y69 PolarHBondContact O-N 3.43Å; A66-Y69 PolarHBondContact O-N 2.58Å; Y67-Y69 PolarHBondContact O-N 2.7Å; Y69-A72 VanDerWaalsContact O-CB 3.31Å; Y69-A72 WeakPolarHBondContact O-CB 3.35Å; Y69-A72 PolarHBondContact O-N 2.69Å; Y69-I73 WeakPolarHBondContact O-CG1 3.41Å; Y69-I73 PolarHBondContact O-N 2.8Å
70	W	90.7	Very high	85.5	Confident	12 Å²	12	36 Å²	36	5%	0.045	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-47.6	173.1	-178.5	-101.8	0	0	0	111.9	F51 W54 L55 A66 Y67 Y68 A72 I73 V74 F115 D116 V119	F51-W70 HydrophobicContact CE2-CE3 4.21Å; F51-W70 AromaticContact CZ-CE3 3.96Å; F51-W70 HydrophobicContact CZ-CE3 3.96Å; F51-W70 AromaticContact CZ-CZ3 3.93Å; F51-W70 HydrophobicContact CZ-CZ3 3.93Å; W54-W70 HydrophobicContact CH2-CB 3.56Å; W54-W70 HydrophobicContact CH2-CD2 4.12Å; W54-W70 AromaticContact CH2-CG 3.66Å; W54-W70 HydrophobicContact CH2-CG 3.66Å; W54-W70 HydrophobicContact CZ2-CB 4.39Å; W54-W70 HydrophobicContact CZ3-CB 4.09Å; W54-W70 HydrophobicContact CZ3-CD2 4.16Å; W54-W70 HydrophobicContact CZ3-CE3 4.14Å; W54-W70 HydrophobicContact CZ3-CG 4.14Å; L55-W70 HydrophobicContact CD1-CZ3 4.43Å; A66-W70 WeakPolarHBondContact O-CB 3.09Å; A66-W70 PolarHBondContact O-N 2.8Å; Y67-W70 WeakPolarHBondContact O-CB 3.3Å; Y67-W70 PolarHBondContact O-N 3.09Å; Y68-W70 VanDerWaalsContact C-N 3.3Å; Y68-W70 PolarHBondContact O-N 2.93Å; W70-A72 PolarHBondContact O-N 3.31Å; W70-I73 HydrophobicContact CE3-CD1 4.47Å; W70-I73 PolarHBondContact O-N 2.79Å; W70-I73 VanDerWaalsContact O-N 3.09Å; W70-V74 HydrophobicContact CD2-CG2 4.43Å; W70-V74 HydrophobicContact CZ2-CG2 4.16Å; W70-V74 WeakPolarHBondContact O-CG2 3.09Å; W70-V74 PolarHBondContact O-N 3.13Å; W70-F115 HydrophobicContact CH2-CB 3.57Å; W70-F115 HydrophobicContact CH2-CG 4.44Å; W70-F115 HydrophobicContact CZ2-CB 3.63Å; W70-D116 HydrophobicContact CZ2-CB 4.25Å; W70-D116 PolarHBondContact NE1-OD1 3.12Å; W70-D116 VanDerWaalsContact NE1-OD1 3.1Å; W70-V119 HydrophobicContact CZ2-CG2 4.46Å
71	T	89.8	Confident	86.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-30.3	175.1	56.1	0	0	0	0	112.9	Y67 Y68 S75 I233	Y67-T71 HydrophobicContact CD1-CG2 3.8Å; Y67-T71 HydrophobicContact CE1-CG2 3.27Å; Y67-T71 WeakPolarHBondContact O-CG2 3.4Å; Y67-T71 PolarHBondContact O-N 3.33Å; Y67-T71 PolarHBondContact O-OG1 3.28Å; Y68-T71 PolarHBondContact O-N 3.37Å; Y68-T71 PolarHBondContact O-OG1 2.84Å; T71-S75 VanDerWaalsContact O-CB 3.26Å; T71-S75 WeakPolarHBondContact O-CB 3.31Å; T71-S75 PolarHBondContact O-N 3.03Å; T71-S75 PolarHBondContact O-OG 3.39Å; T71-I233 HydrophobicContact CG2-CD1 4.15Å
72	A	92	Very high	87.2	Confident	22 Å²	22	35.7 Å²	35.7	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-46.9	173.1	0	0	0	0	0	111.4	Y68 Y69 W70 V74 S75 V76 F237	Y68-A72 PolarHBondContact O-N 3.35Å; Y69-A72 VanDerWaalsContact O-CB 3.31Å; Y69-A72 WeakPolarHBondContact O-CB 3.35Å; Y69-A72 PolarHBondContact O-N 2.69Å; W70-A72 PolarHBondContact O-N 3.31Å; A72-V74 PolarHBondContact O-N 3.13Å; A72-S75 PolarHBondContact O-N 3.16Å; A72-V76 WeakPolarHBondContact O-CG2 3.29Å; A72-V76 PolarHBondContact O-N 3.08Å; A72-F237 HydrophobicContact CB-CD2 3.92Å; A72-F237 HydrophobicContact CB-CE2 3.37Å; A72-F237 HydrophobicContact CB-CZ 3.89Å
73	I	94	Very high	88.2	Confident	73 Å²	73	38.6 Å²	38.6	37%	0.374	20%	0.2	S	C	.	.	H	α-helix	trans	-58.7	-48.1	177	-65.9	166.8	0	0	0	110.6	Y69 W70 S75 V76 T77 V112	Y69-I73 WeakPolarHBondContact O-CG1 3.41Å; Y69-I73 PolarHBondContact O-N 2.8Å; W70-I73 HydrophobicContact CE3-CD1 4.47Å; W70-I73 PolarHBondContact O-N 2.79Å; W70-I73 VanDerWaalsContact O-N 3.09Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 2.91Å; I73-V76 PolarHBondContact O-N 3.45Å; I73-T77 PolarHBondContact O-N 3Å; I73-V112 HydrophobicContact CG2-CG1 4.3Å
74	V	93.4	Very high	89.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-36.1	178.2	-176.5	0	0	0	0	111.2	W70 A72 V76 T77 V78 V112 D116 I233	W70-V74 HydrophobicContact CD2-CG2 4.43Å; W70-V74 HydrophobicContact CZ2-CG2 4.16Å; W70-V74 WeakPolarHBondContact O-CG2 3.09Å; W70-V74 PolarHBondContact O-N 3.13Å; A72-V74 PolarHBondContact O-N 3.13Å; V74-V76 VanDerWaalsContact C-N 3.34Å; V74-V76 PolarHBondContact O-N 3.36Å; V74-T77 PolarHBondContact O-N 3.25Å; V74-T77 PolarHBondContact O-OG1 3.16Å; V74-V78 HydrophobicContact CG1-CG2 4.29Å; V74-V78 WeakPolarHBondContact O-CG2 3.32Å; V74-V78 PolarHBondContact O-N 2.89Å; V74-V112 HydrophobicContact CB-CG1 4.46Å; V74-V112 HydrophobicContact CG2-CG1 3.86Å; V74-D116 HydrophobicContact CG1-CB 4.44Å; V74-D116 HydrophobicContact CG2-CB 3.98Å; V74-I233 HydrophobicContact CB-CG1 4.35Å; V74-I233 HydrophobicContact CG1-CG1 3.99Å; V74-I233 HydrophobicContact CG1-CG2 3.89Å
75	S	92.4	Very high	90.1	Very high	5 Å²	5	34.7 Å²	34.7	4%	0.035	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-35.2	177.3	-62.4	0	0	0	0	112.7	T71 A72 I73 V78 T79 F237	T71-S75 VanDerWaalsContact O-CB 3.26Å; T71-S75 WeakPolarHBondContact O-CB 3.31Å; T71-S75 PolarHBondContact O-N 3.03Å; T71-S75 PolarHBondContact O-OG 3.39Å; A72-S75 PolarHBondContact O-N 3.16Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 2.91Å; S75-V78 PolarHBondContact O-N 2.89Å; S75-T79 WeakPolarHBondContact O-CB 3.44Å; S75-T79 PolarHBondContact O-N 2.99Å; S75-T79 PolarHBondContact O-OG1 2.84Å; S75-F237 WeakPolarHBondContact OG-CB 3.32Å; S75-F237 WeakPolarHBondContact OG-CG 3.49Å
76	V	93.6	Very high	90.7	Very high	101 Å²	101	30.9 Å²	30.9	61%	0.612	16%	0.162	S	C	*	.	H	α-helix	trans	-64	-44.5	173.7	171.2	0	0	0	0	110.7	A72 I73 V74 T79 Y80	A72-V76 WeakPolarHBondContact O-CG2 3.29Å; A72-V76 PolarHBondContact O-N 3.08Å; I73-V76 PolarHBondContact O-N 3.45Å; V74-V76 VanDerWaalsContact C-N 3.34Å; V74-V76 PolarHBondContact O-N 3.36Å; V76-T79 PolarHBondContact O-N 3.28Å; V76-Y80 WeakPolarHBondContact O-CB 3.41Å; V76-Y80 PolarHBondContact O-N 2.85Å
77	T	94.4	Very high	91.1	Very high	15 Å²	15	31 Å²	31	9%	0.092	16%	0.159	C	C	.	.	H	α-helix	trans	-67.8	-36.2	178.6	57.8	0	0	0	0	112.4	I73 V74 Y80 N81 C109 V112 Y113	I73-T77 PolarHBondContact O-N 3Å; V74-T77 PolarHBondContact O-N 3.25Å; V74-T77 PolarHBondContact O-OG1 3.16Å; T77-Y80 WeakPolarHBondContact O-CB 3.15Å; T77-Y80 PolarHBondContact O-N 3.34Å; T77-N81 PolarHBondContact O-N 3.22Å; T77-N81 PolarHBondContact O-ND2 2.76Å; T77-C109 HydrophobicContact CG2-CB 4.43Å; T77-V112 HydrophobicContact CG2-CB 4.19Å; T77-V112 HydrophobicContact CG2-CG1 4.07Å; T77-V112 HydrophobicContact CG2-CG2 4.18Å; T77-Y113 WeakPolarHBondContact OG1-CE1 3.38Å
78	V	92.7	Very high	91.4	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-44.9	173.1	179.7	0	0	0	0	111	V74 S75 Y80 N81 V82 Y113 K230 I233 V234	V74-V78 HydrophobicContact CG1-CG2 4.29Å; V74-V78 WeakPolarHBondContact O-CG2 3.32Å; V74-V78 PolarHBondContact O-N 2.89Å; S75-V78 PolarHBondContact O-N 2.89Å; V78-Y80 VanDerWaalsContact C-N 3.32Å; V78-Y80 PolarHBondContact O-N 2.73Å; V78-N81 PolarHBondContact O-N 3.32Å; V78-N81 VanDerWaalsContact O-N 3.15Å; V78-V82 HydrophobicContact CG1-CG2 4.26Å; V78-V82 VanDerWaalsContact O-CG2 3.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 3.02Å; V78-Y113 WeakPolarHBondContact CA-OH 3.16Å; V78-Y113 HydrophobicContact CG2-CE1 3.9Å; V78-Y113 VanDerWaalsContact CG2-OH 3.29Å; V78-Y113 WeakPolarHBondContact CG2-OH 3.34Å; V78-K230 HydrophobicContact CG2-CB 4.03Å; V78-K230 HydrophobicContact CG2-CG 3.83Å; V78-I233 HydrophobicContact CB-CG2 4.5Å; V78-I233 HydrophobicContact CG2-CG2 3.54Å; V78-V234 HydrophobicContact CB-CG2 3.68Å; V78-V234 HydrophobicContact CG1-CG2 3.56Å; V78-V234 HydrophobicContact CG2-CG2 4.34Å
79	T	92	Very high	91.4	Very high	58 Å²	58	30.5 Å²	30.5	36%	0.356	16%	0.162	S	C	.	.	H	α-helix	trans	-62	-42.3	178.3	-55.6	0	0	0	0	111	S75 V76 N81 V82 I83	S75-T79 WeakPolarHBondContact O-CB 3.44Å; S75-T79 PolarHBondContact O-N 2.99Å; S75-T79 PolarHBondContact O-OG1 2.84Å; V76-T79 PolarHBondContact O-N 3.28Å; T79-N81 PolarHBondContact O-N 3.22Å; T79-V82 PolarHBondContact O-N 3.32Å; T79-I83 HydrophobicContact CG2-CD1 4Å; T79-I83 WeakPolarHBondContact O-CG1 3.24Å; T79-I83 PolarHBondContact O-N 3.44Å; T79-I83 VanDerWaalsContact O-N 3.17Å
80	Y	93.5	Very high	91.4	Very high	43 Å²	43	24.2 Å²	24.2	17%	0.169	14%	0.138	C	C	.	.	H	α-helix	trans	-56.2	-48.9	171.5	163.8	-91.8	0	0	0	111.6	V76 T77 V78 V82 I83 T84 W102 I105 D106	V76-Y80 WeakPolarHBondContact O-CB 3.41Å; V76-Y80 PolarHBondContact O-N 2.85Å; T77-Y80 WeakPolarHBondContact O-CB 3.15Å; T77-Y80 PolarHBondContact O-N 3.34Å; V78-Y80 VanDerWaalsContact C-N 3.32Å; V78-Y80 PolarHBondContact O-N 2.73Å; Y80-V82 PolarHBondContact O-N 2.95Å; Y80-I83 PolarHBondContact O-N 3.45Å; Y80-T84 HydrophobicContact CD2-CG2 3.65Å; Y80-T84 WeakPolarHBondContact CE1-OG1 2.96Å; Y80-T84 HydrophobicContact CE2-CG2 3.52Å; Y80-T84 HydrophobicContact CG-CG2 4.38Å; Y80-T84 WeakPolarHBondContact O-CB 3.46Å; Y80-T84 WeakPolarHBondContact O-CG2 3.2Å; Y80-T84 PolarHBondContact O-N 2.94Å; Y80-T84 PolarHBondContact O-OG1 2.84Å; Y80-W102 AromaticContact CE2-CZ3 3.99Å; Y80-W102 HydrophobicContact CE2-CZ3 3.99Å; Y80-W102 VanDerWaalsContact OH-CE3 3.3Å; Y80-W102 WeakPolarHBondContact OH-CZ3 3.4Å; Y80-I105 HydrophobicContact CD2-CG2 4.49Å; Y80-I105 HydrophobicContact CE1-CG2 3.88Å; Y80-I105 HydrophobicContact CE2-CG2 3.72Å; Y80-I105 WeakPolarHBondContact OH-CG2 3.47Å; Y80-D106 PolarHBondContact OH-OD1 3.05Å
81	N	92.5	Very high	91.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-40.9	-179.6	-78.4	-40.2	0	0	0	112.1	T77 V78 T79 I83 V85 Y113 R227	T77-N81 PolarHBondContact O-N 3.22Å; T77-N81 PolarHBondContact O-ND2 2.76Å; V78-N81 PolarHBondContact O-N 3.32Å; V78-N81 VanDerWaalsContact O-N 3.15Å; T79-N81 PolarHBondContact O-N 3.22Å; N81-I83 VanDerWaalsContact C-N 3.31Å; N81-I83 PolarHBondContact O-N 3.46Å; N81-V85 HydrophobicContact CB-CG2 4.31Å; N81-V85 WeakPolarHBondContact O-CB 3.49Å; N81-V85 WeakPolarHBondContact O-CG2 3.2Å; N81-V85 PolarHBondContact O-N 2.93Å; N81-Y113 PolarHBondContact ND2-OH 2.96Å; N81-Y113 VanDerWaalsContact ND2-OH 3.11Å; N81-R227 HydrophobicContact CB-CB 4.38Å
82	V	90.8	Very high	90.8	Very high	16 Å²	16	26.6 Å²	26.6	10%	0.097	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-41.6	178.1	172	0	0	0	0	112	V78 T79 Y80 L228 V262	V78-V82 HydrophobicContact CG1-CG2 4.26Å; V78-V82 VanDerWaalsContact O-CG2 3.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 3.02Å; T79-V82 PolarHBondContact O-N 3.32Å; Y80-V82 PolarHBondContact O-N 2.95Å; V82-L228 VanDerWaalsContact CA-CD2 3.48Å; V82-L228 HydrophobicContact CB-CD2 4.07Å; V82-L228 HydrophobicContact CG2-CD2 3.64Å; V82-V262 HydrophobicContact CG1-CG1 3.64Å
83	I	91.9	Very high	90.1	Very high	62 Å²	62	29.9 Å²	29.9	32%	0.318	16%	0.163	S	C	.	.	H	α-helix	trans	-80.7	-54	-178.9	-62.3	169	0	0	0	110.5	T79 Y80 N81 L87 H265	T79-I83 HydrophobicContact CG2-CD1 4Å; T79-I83 WeakPolarHBondContact O-CG1 3.24Å; T79-I83 PolarHBondContact O-N 3.44Å; T79-I83 VanDerWaalsContact O-N 3.17Å; Y80-I83 PolarHBondContact O-N 3.45Å; N81-I83 VanDerWaalsContact C-N 3.31Å; N81-I83 PolarHBondContact O-N 3.46Å; I83-L87 VanDerWaalsContact O-CB 3.3Å; I83-L87 WeakPolarHBondContact O-CB 3.4Å; I83-L87 PolarHBondContact O-N 3.37Å; I83-L87 VanDerWaalsContact O-N 3.09Å; I83-H265 PolarHBondContact O-NE2 3.46Å; I83-H265 VanDerWaalsContact O-NE2 3.11Å
84	T	90.9	Very high	89.3	Confident	17 Å²	17	30.1 Å²	30.1	10%	0.104	16%	0.16	C	C	.	.	H	α-helix	trans	-78.2	-31.9	-167.8	63.4	0	0	0	0	114	Y80 R88 W102	Y80-T84 HydrophobicContact CD2-CG2 3.65Å; Y80-T84 WeakPolarHBondContact CE1-OG1 2.96Å; Y80-T84 HydrophobicContact CE2-CG2 3.52Å; Y80-T84 HydrophobicContact CG-CG2 4.38Å; Y80-T84 WeakPolarHBondContact O-CB 3.46Å; Y80-T84 WeakPolarHBondContact O-CG2 3.2Å; Y80-T84 PolarHBondContact O-N 2.94Å; Y80-T84 PolarHBondContact O-OG1 2.84Å; T84-R88 WeakPolarHBondContact O-CB 3.3Å; T84-R88 WeakPolarHBondContact O-CG 3.35Å; T84-R88 PolarHBondContact O-N 2.98Å; T84-R88 PolarHBondContact O-NE 2.95Å; T84-W102 HydrophobicContact CG2-CZ3 4.47Å
85	V	89.1	Confident	88.6	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-65.9	-44.5	179	174.1	0	0	0	0	109.9	N81 S89 R224 L225	N81-V85 HydrophobicContact CB-CG2 4.31Å; N81-V85 WeakPolarHBondContact O-CB 3.49Å; N81-V85 WeakPolarHBondContact O-CG2 3.2Å; N81-V85 PolarHBondContact O-N 2.93Å; V85-S89 WeakPolarHBondContact O-CB 3.34Å; V85-S89 PolarHBondContact O-N 3.48Å; V85-S89 PolarHBondContact O-OG 2.99Å; V85-R224 HydrophobicContact CG1-CB 3.92Å; V85-R224 HydrophobicContact CG2-CB 4.07Å; V85-L225 HydrophobicContact CG1-CD2 3.97Å; V85-L225 HydrophobicContact CG1-CG 4.36Å
86	V	91	Very high	87.9	Confident	20 Å²	20	36.1 Å²	36.1	12%	0.121	19%	0.188	C	C	.	.	H	α-helix	trans	-69.6	-46.1	179.9	-177.9	0	0	0	0	110.7	R88 S89 V90 L225 L266 C269	V86-R88 PolarHBondContact O-N 2.89Å; V86-S89 WeakPolarHBondContact CA-OG 3.42Å; V86-S89 PolarHBondContact O-N 3.44Å; V86-S89 PolarHBondContact O-OG 2.97Å; V86-V90 PolarHBondContact O-N 2.69Å; V86-L225 HydrophobicContact CG2-CD2 4.29Å; V86-L266 HydrophobicContact CB-CD2 3.93Å; V86-L266 HydrophobicContact CG1-CD2 3.87Å; V86-L266 HydrophobicContact CG2-CD2 3.63Å; V86-C269 HydrophobicContact CG1-CB 3.64Å
87	L	91.4	Very high	87.4	Confident	21 Å²	21	35.4 Å²	35.4	11%	0.11	19%	0.187	C	C	.	.	H	α-helix	trans	-55.5	-48.9	175.2	-174.6	74.1	0	0	0	112	I83 S89 V90 F91 F296 Y300	I83-L87 VanDerWaalsContact O-CB 3.3Å; I83-L87 WeakPolarHBondContact O-CB 3.4Å; I83-L87 PolarHBondContact O-N 3.37Å; I83-L87 VanDerWaalsContact O-N 3.09Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.8Å; L87-V90 PolarHBondContact O-N 2.97Å; L87-F91 HydrophobicContact CD1-CD2 3.52Å; L87-F91 HydrophobicContact CD1-CE2 3.87Å; L87-F91 HydrophobicContact CG-CD2 4.22Å; L87-F91 WeakPolarHBondContact O-CD2 3.26Å; L87-F91 PolarHBondContact O-N 3.4Å; L87-F296 HydrophobicContact CD1-CE2 4.38Å; L87-F296 HydrophobicContact CD1-CZ 4.4Å; L87-F296 HydrophobicContact CD2-CZ 4.48Å; L87-Y300 HydrophobicContact CD1-CD2 3.62Å; L87-Y300 HydrophobicContact CD1-CE2 3.71Å
88	R	89.5	Confident	86.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.8	-29.6	-178.3	-70.7	177.5	-60.8	166.2	-9.4	112.9	T84 V86 V90 N92 Y94 D106 P221	T84-R88 WeakPolarHBondContact O-CB 3.3Å; T84-R88 WeakPolarHBondContact O-CG 3.35Å; T84-R88 PolarHBondContact O-N 2.98Å; T84-R88 PolarHBondContact O-NE 2.95Å; V86-R88 PolarHBondContact O-N 2.89Å; R88-V90 PolarHBondContact O-N 3.48Å; R88-N92 PolarHBondContact O-OD1 3.41Å; R88-Y94 HydrophobicContact CG-CD1 4.09Å; R88-D106 IonicContact CZ-OD1 3.87Å; R88-D106 IonicContact CZ-OD2 3.81Å; R88-D106 IonicContact NH1-OD1 3.77Å; R88-D106 PolarHBondContact NH1-OD1 2.86Å; R88-D106 IonicContact NH1-OD2 2.83Å; R88-D106 PolarHBondContact NH1-OD2 2.91Å; R88-D106 IonicContact NH2-OD1 3.15Å; R88-D106 PolarHBondContact NH2-OD1 2.89Å; R88-D106 IonicContact NH2-OD2 3Å; R88-D106 PolarHBondContact NH2-OD2 2.9Å; R88-P221 HydrophobicContact CB-CB 4.03Å; R88-P221 HydrophobicContact CB-CG 3.96Å
89	S	85.8	Confident	86.5	Confident	28 Å²	28	44 Å²	44	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-69.8	-18.6	177.9	66.5	0	0	0	0	114.2	V85 V86 L87	V85-S89 WeakPolarHBondContact O-CB 3.34Å; V85-S89 PolarHBondContact O-N 3.48Å; V85-S89 PolarHBondContact O-OG 2.99Å; V86-S89 WeakPolarHBondContact CA-OG 3.42Å; V86-S89 PolarHBondContact O-N 3.44Å; V86-S89 PolarHBondContact O-OG 2.97Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.8Å
90	V	89	Confident	86.1	Confident	13 Å²	13	46.7 Å²	46.7	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-109.5	-41.7	-177	177.3	0	0	0	0	110.8	V86 L87 R88 N92 C269 F272 A273	V86-V90 PolarHBondContact O-N 2.69Å; L87-V90 PolarHBondContact O-N 2.97Å; R88-V90 PolarHBondContact O-N 3.48Å; V90-N92 PolarHBondContact O-N 3.25Å; V90-C269 HydrophobicContact CG2-CB 4.17Å; V90-F272 HydrophobicContact CG1-CB 4.02Å; V90-F272 HydrophobicContact CG1-CD1 3.43Å; V90-F272 VanDerWaalsContact CG1-CD1 3.43Å; V90-F272 HydrophobicContact CG1-CE1 4.36Å; V90-F272 HydrophobicContact CG1-CG 4.16Å; V90-A273 HydrophobicContact CG1-CB 4.13Å; V90-A273 HydrophobicContact CG2-CB 3.95Å
91	F	87.5	Confident	85.9	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.026	25%	0.248	C	C	.	.			trans	-101.9	75.6	-179.6	-60.2	-78.5	0	0	0	111.1	L87 E93 Y94 F272 F296 R299 Y300	L87-F91 HydrophobicContact CD1-CD2 3.52Å; L87-F91 HydrophobicContact CD1-CE2 3.87Å; L87-F91 HydrophobicContact CG-CD2 4.22Å; L87-F91 WeakPolarHBondContact O-CD2 3.26Å; L87-F91 PolarHBondContact O-N 3.4Å; F91-E93 VanDerWaalsContact C-N 3.27Å; F91-E93 PolarHBondContact O-N 3.26Å; F91-Y94 WeakPolarHBondContact O-CB 3.45Å; F91-Y94 PolarHBondContact O-N 2.98Å; F91-Y94 VanDerWaalsContact O-N 3.14Å; F91-F272 HydrophobicContact CD1-CD1 4.2Å; F91-F272 HydrophobicContact CD1-CE1 4.06Å; F91-F272 HydrophobicContact CD1-CZ 4.42Å; F91-F272 HydrophobicContact CE1-CB 4.36Å; F91-F272 AromaticContact CE1-CD1 3.59Å; F91-F272 HydrophobicContact CE1-CD1 3.59Å; F91-F272 AromaticContact CE1-CD2 3.84Å; F91-F272 HydrophobicContact CE1-CD2 3.84Å; F91-F272 AromaticContact CE1-CE1 3.73Å; F91-F272 HydrophobicContact CE1-CE1 3.73Å; F91-F272 HydrophobicContact CE1-CE2 4.01Å; F91-F272 AromaticContact CE1-CG 3.63Å; F91-F272 HydrophobicContact CE1-CG 3.63Å; F91-F272 AromaticContact CE1-CZ 3.95Å; F91-F272 HydrophobicContact CE1-CZ 3.95Å; F91-F272 HydrophobicContact CZ-CB 3.9Å; F91-F272 AromaticContact CZ-CD1 3.91Å; F91-F272 HydrophobicContact CZ-CD1 3.91Å; F91-F272 HydrophobicContact CZ-CD2 4.13Å; F91-F272 AromaticContact CZ-CG 3.67Å; F91-F272 HydrophobicContact CZ-CG 3.67Å; F91-F296 HydrophobicContact CB-CD2 3.88Å; F91-F296 HydrophobicContact CB-CE2 3.71Å; F91-F296 AromaticContact CD1-CD2 3.96Å; F91-F296 HydrophobicContact CD1-CD2 3.96Å; F91-F296 HydrophobicContact CD1-CE2 4.09Å; F91-F296 HydrophobicContact CD2-CE2 4.16Å; F91-F296 AromaticContact CG-CD2 3.97Å; F91-F296 HydrophobicContact CG-CD2 3.97Å; F91-F296 AromaticContact CG-CE2 3.71Å; F91-F296 HydrophobicContact CG-CE2 3.71Å; F91-R299 HydrophobicContact CD1-CB 4.5Å; F91-R299 HydrophobicContact CE1-CB 3.82Å; F91-Y300 HydrophobicContact CE2-CD2 4.01Å; F91-Y300 HydrophobicContact CZ-CD2 4.35Å
92	N	79.3	Confident	85.7	Confident	56 Å²	56	48 Å²	48	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-58.8	-31.9	-172.3	-68.3	-31	0	0	0	114.4	R88 V90 Y94 Q95 E96	R88-N92 PolarHBondContact O-OD1 3.41Å; V90-N92 PolarHBondContact O-N 3.25Å; N92-Y94 PolarHBondContact O-N 3.49Å; N92-Q95 WeakPolarHBondContact O-CB 3.34Å; N92-Q95 PolarHBondContact O-N 3.44Å; N92-E96 PolarHBondContact O-N 2.94Å; N92-E96 VanDerWaalsContact O-N 3.07Å
93	E	78.3	Confident	85.5	Confident	90 Å²	90	48.6 Å²	48.6	42%	0.421	26%	0.255	S	S	.	.	H	α-helix	trans	-52.1	-33.4	177	-66	175.4	-176.3	0	0	112.8	F91 S97 R299	F91-E93 VanDerWaalsContact C-N 3.27Å; F91-E93 PolarHBondContact O-N 3.26Å; E93-S97 PolarHBondContact O-N 3.37Å; E93-S97 PolarHBondContact O-OG 3.22Å; E93-R299 VanDerWaalsContact CD-NH1 3.31Å; E93-R299 IonicContact OE1-CZ 3.98Å; E93-R299 IonicContact OE1-NH1 2.95Å; E93-R299 PolarHBondContact OE1-NH1 2.82Å; E93-R299 IonicContact OE1-NH2 3.16Å; E93-R299 PolarHBondContact OE1-NH2 2.89Å; E93-R299 IonicContact OE2-NH1 2.72Å
94	Y	76.4	Confident	85.5	Confident	78 Å²	78	48.7 Å²	48.7	31%	0.306	27%	0.265	S	S	.	.	H	α-helix	trans	-75	-33.1	-179.3	-165.8	-113.9	0	0	0	112.9	R88 F91 N92 W102	R88-Y94 HydrophobicContact CG-CD1 4.09Å; F91-Y94 WeakPolarHBondContact O-CB 3.45Å; F91-Y94 PolarHBondContact O-N 2.98Å; F91-Y94 VanDerWaalsContact O-N 3.14Å; N92-Y94 PolarHBondContact O-N 3.49Å; Y94-W102 AromaticContact CD1-CZ2 3.8Å; Y94-W102 HydrophobicContact CD1-CZ2 3.8Å; Y94-W102 AromaticContact CD1-NE1 3.99Å; Y94-W102 AromaticContact CE1-CE2 3.62Å; Y94-W102 AromaticContact CE1-CH2 3.5Å; Y94-W102 HydrophobicContact CE1-CH2 3.5Å; Y94-W102 AromaticContact CE1-CZ2 2.95Å; Y94-W102 HydrophobicContact CE1-CZ2 2.95Å; Y94-W102 HydrophobicContact CE2-CZ2 4.3Å; Y94-W102 AromaticContact CZ-CH2 3.86Å; Y94-W102 AromaticContact CZ-CZ2 3.26Å; Y94-W102 PolarHBondContact O-NE1 3.03Å; Y94-W102 VanDerWaalsContact O-NE1 3.07Å; Y94-W102 WeakPolarHBondContact OH-CH2 3.33Å; Y94-W102 VanDerWaalsContact OH-CZ2 3.25Å; Y94-W102 WeakPolarHBondContact OH-CZ2 3.31Å
95	Q	79.2	Confident	85.5	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-71.4	-44.7	174.9	176.2	70.9	0.9	0	0	110.3	N92 S97 I99 P221	N92-Q95 WeakPolarHBondContact O-CB 3.34Å; N92-Q95 PolarHBondContact O-N 3.44Å; Q95-S97 PolarHBondContact O-N 3.43Å; Q95-I99 VanDerWaalsContact O-CA 3.32Å; Q95-I99 WeakPolarHBondContact O-CA 3.24Å; Q95-I99 WeakPolarHBondContact O-CB 3.41Å; Q95-I99 PolarHBondContact O-N 3.45Å; Q95-I99 VanDerWaalsContact O-N 3.15Å; Q95-P221 HydrophobicContact CB-CG 4.31Å; Q95-P221 HydrophobicContact CG-CG 3.9Å
96	E	78	Confident	85.6	Confident	130 Å²	130	51.2 Å²	51.2	61%	0.607	28%	0.277	S	S	*	.	H	α-helix	trans	-65.7	-39.8	-176.1	-68.5	-176	173.5	0	0	112.7	N92 Y98	N92-E96 PolarHBondContact O-N 2.94Å; N92-E96 VanDerWaalsContact O-N 3.07Å; E96-Y98 VanDerWaalsContact C-N 3.33Å; E96-Y98 PolarHBondContact O-N 3.31Å
97	S	81.5	Confident	85.6	Confident	85 Å²	85	55.6 Å²	55.6	59%	0.594	29%	0.292	S	S	*	.	H	α-helix	trans	-65.6	-32.1	-176.6	-61.4	0	0	0	0	113.9	E93 Q95	E93-S97 PolarHBondContact O-N 3.37Å; E93-S97 PolarHBondContact O-OG 3.22Å; Q95-S97 PolarHBondContact O-N 3.43Å
98	Y	84.7	Confident	85.6	Confident	149 Å²	149	60.2 Å²	60.2	58%	0.584	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.9	34.5	-170.4	-61.8	-72.1	0	0	0	113.3	E96 T100 A101 W102	E96-Y98 VanDerWaalsContact C-N 3.33Å; E96-Y98 PolarHBondContact O-N 3.31Å; Y98-T100 VanDerWaalsContact C-N 3.27Å; Y98-T100 PolarHBondContact O-N 3.18Å; Y98-T100 VanDerWaalsContact O-N 3.14Å; Y98-A101 PolarHBondContact O-N 2.83Å; Y98-W102 PolarHBondContact O-N 2.85Å
99	I	83.4	Confident	85.8	Confident	48 Å²	48	60.6 Å²	60.6	25%	0.246	32%	0.319	C	S	.	.	H	α-helix	trans	-54.9	-39.4	-170.3	-159.2	165.3	0	0	0	113.9	Q95 W102 L103 L218	Q95-I99 VanDerWaalsContact O-CA 3.32Å; Q95-I99 WeakPolarHBondContact O-CA 3.24Å; Q95-I99 WeakPolarHBondContact O-CB 3.41Å; Q95-I99 PolarHBondContact O-N 3.45Å; Q95-I99 VanDerWaalsContact O-N 3.15Å; I99-W102 PolarHBondContact O-N 2.85Å; I99-L103 HydrophobicContact CG1-CD1 4.29Å; I99-L103 WeakPolarHBondContact O-CB 3.22Å; I99-L103 VanDerWaalsContact O-CG 3.26Å; I99-L103 WeakPolarHBondContact O-CG 3.48Å; I99-L103 PolarHBondContact O-N 2.93Å; I99-L218 HydrophobicContact CD1-CB 3.56Å; I99-L218 HydrophobicContact CD1-CD2 4.36Å; I99-L218 HydrophobicContact CD1-CG 4.47Å
100	T	85.2	Confident	86.1	Confident	114 Å²	114	60 Å²	60	70%	0.699	31%	0.314	S	S	*	.	H	α-helix	trans	-68.1	-40.7	-179.9	51	0	0	0	0	112.2	Y98 A104	Y98-T100 VanDerWaalsContact C-N 3.27Å; Y98-T100 PolarHBondContact O-N 3.18Å; Y98-T100 VanDerWaalsContact O-N 3.14Å; T100-A104 WeakPolarHBondContact O-CB 3.47Å; T100-A104 PolarHBondContact O-N 2.97Å
101	A	89.3	Confident	86.2	Confident	46 Å²	46	64.4 Å²	64.4	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-42.5	176.6	0	0	0	0	0	111	Y98 A104 I105	Y98-A101 PolarHBondContact O-N 2.83Å; A101-A104 PolarHBondContact O-N 3.14Å; A101-I105 WeakPolarHBondContact O-CG1 3.49Å; A101-I105 PolarHBondContact O-N 3.47Å
102	W	88.5	Confident	86.5	Confident	26 Å²	26	65.1 Å²	65.1	10%	0.098	34%	0.34	C	S	.	.	H	α-helix	trans	-60.7	-48.8	176.1	-73.1	125.4	0	0	0	112.5	Y80 T84 Y94 Y98 I99 A104 I105 D106	Y80-W102 AromaticContact CE2-CZ3 3.99Å; Y80-W102 HydrophobicContact CE2-CZ3 3.99Å; Y80-W102 VanDerWaalsContact OH-CE3 3.3Å; Y80-W102 WeakPolarHBondContact OH-CZ3 3.4Å; T84-W102 HydrophobicContact CG2-CZ3 4.47Å; Y94-W102 AromaticContact CD1-CZ2 3.8Å; Y94-W102 HydrophobicContact CD1-CZ2 3.8Å; Y94-W102 AromaticContact CD1-NE1 3.99Å; Y94-W102 AromaticContact CE1-CE2 3.62Å; Y94-W102 AromaticContact CE1-CH2 3.5Å; Y94-W102 HydrophobicContact CE1-CH2 3.5Å; Y94-W102 AromaticContact CE1-CZ2 2.95Å; Y94-W102 HydrophobicContact CE1-CZ2 2.95Å; Y94-W102 HydrophobicContact CE2-CZ2 4.3Å; Y94-W102 AromaticContact CZ-CH2 3.86Å; Y94-W102 AromaticContact CZ-CZ2 3.26Å; Y94-W102 PolarHBondContact O-NE1 3.03Å; Y94-W102 VanDerWaalsContact O-NE1 3.07Å; Y94-W102 WeakPolarHBondContact OH-CH2 3.33Å; Y94-W102 VanDerWaalsContact OH-CZ2 3.25Å; Y94-W102 WeakPolarHBondContact OH-CZ2 3.31Å; Y98-W102 PolarHBondContact O-N 2.85Å; I99-W102 PolarHBondContact O-N 2.85Å; W102-A104 VanDerWaalsContact C-N 3.29Å; W102-A104 PolarHBondContact O-N 2.92Å; W102-I105 HydrophobicContact CZ3-CD1 4.44Å; W102-I105 PolarHBondContact O-N 2.69Å; W102-D106 WeakPolarHBondContact O-CB 3.39Å; W102-D106 PolarHBondContact O-N 3.05Å
103	L	86.5	Confident	87.1	Confident	29 Å²	29	62.5 Å²	62.5	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-41.2	177.3	-71.8	172.4	0	0	0	111.4	I99 I105 D106 Y107 L218	I99-L103 HydrophobicContact CG1-CD1 4.29Å; I99-L103 WeakPolarHBondContact O-CB 3.22Å; I99-L103 VanDerWaalsContact O-CG 3.26Å; I99-L103 WeakPolarHBondContact O-CG 3.48Å; I99-L103 PolarHBondContact O-N 2.93Å; L103-I105 PolarHBondContact O-N 2.95Å; L103-D106 PolarHBondContact O-N 3.21Å; L103-Y107 HydrophobicContact CB-CD2 4.31Å; L103-Y107 HydrophobicContact CB-CE2 4.13Å; L103-Y107 HydrophobicContact CD2-CE2 4.18Å; L103-Y107 WeakPolarHBondContact O-CB 3.36Å; L103-Y107 WeakPolarHBondContact O-CD2 3.35Å; L103-Y107 PolarHBondContact O-N 2.8Å; L103-L218 HydrophobicContact CD1-CD2 3.93Å
104	A	90.4	Very high	87.8	Confident	64 Å²	64	61.6 Å²	61.6	53%	0.529	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-45.1	177.2	0	0	0	0	0	112.5	T100 A101 W102 L108	T100-A104 WeakPolarHBondContact O-CB 3.47Å; T100-A104 PolarHBondContact O-N 2.97Å; A101-A104 PolarHBondContact O-N 3.14Å; W102-A104 VanDerWaalsContact C-N 3.29Å; W102-A104 PolarHBondContact O-N 2.92Å; A104-L108 WeakPolarHBondContact O-CB 3.5Å; A104-L108 PolarHBondContact O-N 2.71Å; A104-L108 VanDerWaalsContact O-N 3.08Å
105	I	91.8	Very high	88.5	Confident	69 Å²	69	61.9 Å²	61.9	35%	0.354	33%	0.326	S	S	.	.	H	α-helix	trans	-68	-41.4	177.9	-62.5	167.3	0	0	0	110.9	Y80 A101 W102 L103 L108 C109	Y80-I105 HydrophobicContact CD2-CG2 4.49Å; Y80-I105 HydrophobicContact CE1-CG2 3.88Å; Y80-I105 HydrophobicContact CE2-CG2 3.72Å; Y80-I105 WeakPolarHBondContact OH-CG2 3.47Å; A101-I105 WeakPolarHBondContact O-CG1 3.49Å; A101-I105 PolarHBondContact O-N 3.47Å; W102-I105 HydrophobicContact CZ3-CD1 4.44Å; W102-I105 PolarHBondContact O-N 2.69Å; L103-I105 PolarHBondContact O-N 2.95Å; I105-L108 WeakPolarHBondContact O-CB 3.08Å; I105-L108 PolarHBondContact O-N 3.45Å; I105-C109 PolarHBondContact O-N 2.92Å; I105-C109 PolarHBondContact O-SG 3.44Å
106	D	90.8	Very high	89.1	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-43.4	-179.4	-67.2	-17.5	0	0	0	111.6	Y80 R88 W102 L103 L108 C109 D110 R224	Y80-D106 PolarHBondContact OH-OD1 3.05Å; R88-D106 IonicContact CZ-OD1 3.87Å; R88-D106 IonicContact CZ-OD2 3.81Å; R88-D106 IonicContact NH1-OD1 3.77Å; R88-D106 PolarHBondContact NH1-OD1 2.86Å; R88-D106 IonicContact NH1-OD2 2.83Å; R88-D106 PolarHBondContact NH1-OD2 2.91Å; R88-D106 IonicContact NH2-OD1 3.15Å; R88-D106 PolarHBondContact NH2-OD1 2.89Å; R88-D106 IonicContact NH2-OD2 3Å; R88-D106 PolarHBondContact NH2-OD2 2.9Å; W102-D106 WeakPolarHBondContact O-CB 3.39Å; W102-D106 PolarHBondContact O-N 3.05Å; L103-D106 PolarHBondContact O-N 3.21Å; D106-L108 VanDerWaalsContact C-N 3.3Å; D106-L108 PolarHBondContact O-N 3.17Å; D106-C109 WeakPolarHBondContact O-CB 3.39Å; D106-C109 PolarHBondContact O-N 3.01Å; D106-C109 VanDerWaalsContact O-N 3.14Å; D106-D110 PolarHBondContact O-N 2.78Å; D106-R224 WeakPolarHBondContact OD2-CD 3.43Å; D106-R224 IonicContact OD2-CZ 3.56Å; D106-R224 IonicContact OD2-NE 2.86Å; D106-R224 IonicContact OD2-NH1 2.89Å; D106-R224 PolarHBondContact OD2-NH1 2.84Å; D106-R224 VanDerWaalsContact OD2-NH1 3.09Å
107	Y	90.2	Very high	89.6	Confident	112 Å²	112	56.6 Å²	56.6	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-67	-31.8	175.4	-72.4	-56.3	0	0	0	112.2	L103 C109 D110 M111	L103-Y107 HydrophobicContact CB-CD2 4.31Å; L103-Y107 HydrophobicContact CB-CE2 4.13Å; L103-Y107 HydrophobicContact CD2-CE2 4.18Å; L103-Y107 WeakPolarHBondContact O-CB 3.36Å; L103-Y107 WeakPolarHBondContact O-CD2 3.35Å; L103-Y107 PolarHBondContact O-N 2.8Å; Y107-C109 VanDerWaalsContact C-N 3.34Å; Y107-D110 PolarHBondContact O-N 2.78Å; Y107-M111 VanDerWaalsContact O-CG 3.27Å; Y107-M111 WeakPolarHBondContact O-CG 3.45Å; Y107-M111 PolarHBondContact O-N 3.38Å
108	L	92.8	Very high	90	Very high	119 Å²	119	55.6 Å²	55.6	62%	0.623	29%	0.289	S	S	*	.	H	α-helix	trans	-63.5	-41.4	170.3	-175.8	69.3	0	0	0	111.3	A104 I105 D106 M111 V112	A104-L108 WeakPolarHBondContact O-CB 3.5Å; A104-L108 PolarHBondContact O-N 2.71Å; A104-L108 VanDerWaalsContact O-N 3.08Å; I105-L108 WeakPolarHBondContact O-CB 3.08Å; I105-L108 PolarHBondContact O-N 3.45Å; D106-L108 VanDerWaalsContact C-N 3.3Å; D106-L108 PolarHBondContact O-N 3.17Å; L108-M111 WeakPolarHBondContact O-CB 3.4Å; L108-M111 PolarHBondContact O-N 3.28Å; L108-V112 WeakPolarHBondContact O-CG2 3.25Å; L108-V112 PolarHBondContact O-N 3.24Å; L108-V112 VanDerWaalsContact O-N 3.13Å
109	C	92.5	Very high	90.2	Very high	7 Å²	7	49 Å²	49	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-41.8	175.9	-66.1	0	0	0	0	112.2	T77 I105 D106 Y107 M111 V112 Y113	T77-C109 HydrophobicContact CG2-CB 4.43Å; I105-C109 PolarHBondContact O-N 2.92Å; I105-C109 PolarHBondContact O-SG 3.44Å; D106-C109 WeakPolarHBondContact O-CB 3.39Å; D106-C109 PolarHBondContact O-N 3.01Å; D106-C109 VanDerWaalsContact O-N 3.14Å; Y107-C109 VanDerWaalsContact C-N 3.34Å; C109-M111 VanDerWaalsContact C-N 3.31Å; C109-M111 PolarHBondContact O-N 3.41Å; C109-V112 WeakPolarHBondContact O-CB 3.31Å; C109-V112 PolarHBondContact O-N 3.3Å; C109-V112 VanDerWaalsContact O-N 3.15Å; C109-Y113 WeakPolarHBondContact O-CD1 3.38Å; C109-Y113 PolarHBondContact O-N 3.07Å
110	D	92.1	Very high	90.3	Very high	16 Å²	16	47 Å²	47	9%	0.086	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-37.4	175.9	-75.3	-26.1	0	0	0	111.1	D106 Y107 V112 Y113 I114 R224 R227	D106-D110 PolarHBondContact O-N 2.78Å; Y107-D110 PolarHBondContact O-N 2.78Å; D110-V112 PolarHBondContact O-N 2.86Å; D110-Y113 WeakPolarHBondContact O-CB 3.21Å; D110-Y113 PolarHBondContact O-N 2.72Å; D110-Y113 VanDerWaalsContact O-N 3.15Å; D110-I114 WeakPolarHBondContact O-CG1 3.35Å; D110-I114 PolarHBondContact O-N 3.33Å; D110-R224 IonicContact OD2-CZ 3.52Å; D110-R224 IonicContact OD2-NH2 2.85Å; D110-R224 PolarHBondContact OD2-NH2 2.91Å; D110-R227 IonicContact OD1-CZ 3.16Å; D110-R227 IonicContact OD1-NE 3.68Å; D110-R227 PolarHBondContact OD1-NE 2.97Å; D110-R227 VanDerWaalsContact OD1-NE 3.15Å; D110-R227 IonicContact OD1-NH2 3.94Å; D110-R227 IonicContact OD2-CZ 2.83Å; D110-R227 IonicContact OD2-NE 3.82Å; D110-R227 IonicContact OD2-NH2 3.04Å; D110-R227 PolarHBondContact OD2-NH2 3.13Å
111	M	92.2	Very high	90.4	Very high	105 Å²	105	44.6 Å²	44.6	52%	0.517	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-44	171.4	-72.4	-66.9	-178.4	0	0	112	Y107 L108 C109 Y113 I114 F115	Y107-M111 VanDerWaalsContact O-CG 3.27Å; Y107-M111 WeakPolarHBondContact O-CG 3.45Å; Y107-M111 PolarHBondContact O-N 3.38Å; L108-M111 WeakPolarHBondContact O-CB 3.4Å; L108-M111 PolarHBondContact O-N 3.28Å; C109-M111 VanDerWaalsContact C-N 3.31Å; C109-M111 PolarHBondContact O-N 3.41Å; M111-Y113 VanDerWaalsContact C-N 3.26Å; M111-Y113 PolarHBondContact O-N 2.87Å; M111-I114 PolarHBondContact O-N 2.93Å; M111-I114 HydrophobicContact SD-CD1 4.1Å; M111-F115 WeakPolarHBondContact O-CD2 3.35Å; M111-F115 PolarHBondContact O-N 3.47Å
112	V	93.5	Very high	90.2	Very high	22 Å²	22	46.1 Å²	46.1	13%	0.133	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-39.2	174.9	172	0	0	0	0	111	I73 V74 T77 L108 C109 D110 F115 D116	I73-V112 HydrophobicContact CG2-CG1 4.3Å; V74-V112 HydrophobicContact CB-CG1 4.46Å; V74-V112 HydrophobicContact CG2-CG1 3.86Å; T77-V112 HydrophobicContact CG2-CB 4.19Å; T77-V112 HydrophobicContact CG2-CG1 4.07Å; T77-V112 HydrophobicContact CG2-CG2 4.18Å; L108-V112 WeakPolarHBondContact O-CG2 3.25Å; L108-V112 PolarHBondContact O-N 3.24Å; L108-V112 VanDerWaalsContact O-N 3.13Å; C109-V112 WeakPolarHBondContact O-CB 3.31Å; C109-V112 PolarHBondContact O-N 3.3Å; C109-V112 VanDerWaalsContact O-N 3.15Å; D110-V112 PolarHBondContact O-N 2.86Å; V112-F115 PolarHBondContact O-N 3.5Å; V112-D116 WeakPolarHBondContact O-CB 3.41Å; V112-D116 PolarHBondContact O-N 2.96Å
113	Y	92.6	Very high	89.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.6	-40.1	177.2	-77.5	21.3	0	0	0	112.4	T77 V78 N81 C109 D110 M111 D116 I117 R227 K230	T77-Y113 WeakPolarHBondContact OG1-CE1 3.38Å; V78-Y113 WeakPolarHBondContact CA-OH 3.16Å; V78-Y113 HydrophobicContact CG2-CE1 3.9Å; V78-Y113 VanDerWaalsContact CG2-OH 3.29Å; V78-Y113 WeakPolarHBondContact CG2-OH 3.34Å; N81-Y113 PolarHBondContact ND2-OH 2.96Å; N81-Y113 VanDerWaalsContact ND2-OH 3.11Å; C109-Y113 WeakPolarHBondContact O-CD1 3.38Å; C109-Y113 PolarHBondContact O-N 3.07Å; D110-Y113 WeakPolarHBondContact O-CB 3.21Å; D110-Y113 PolarHBondContact O-N 2.72Å; D110-Y113 VanDerWaalsContact O-N 3.15Å; M111-Y113 VanDerWaalsContact C-N 3.26Å; M111-Y113 PolarHBondContact O-N 2.87Å; Y113-D116 PolarHBondContact O-N 3.39Å; Y113-I117 WeakPolarHBondContact O-CG1 3.38Å; Y113-I117 PolarHBondContact O-N 3.43Å; Y113-I117 VanDerWaalsContact O-N 3.09Å; Y113-R227 HydrophobicContact CE2-CB 4.13Å; Y113-R227 HydrophobicContact CE2-CG 4.08Å; Y113-K230 HydrophobicContact CD2-CB 4.43Å; Y113-K230 HydrophobicContact CD2-CD 4.28Å; Y113-K230 HydrophobicContact CD2-CG 4.25Å; Y113-K230 HydrophobicContact CE1-CG 4.13Å; Y113-K230 HydrophobicContact CE2-CB 3.67Å; Y113-K230 HydrophobicContact CE2-CD 4.33Å; Y113-K230 HydrophobicContact CE2-CG 3.84Å
114	I	92	Very high	88.6	Confident	71 Å²	71	43.8 Å²	43.8	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-59.1	-50.8	174.1	-65.8	165.9	0	0	0	109.6	D110 M111 D116 I117 I118 I206	D110-I114 WeakPolarHBondContact O-CG1 3.35Å; D110-I114 PolarHBondContact O-N 3.33Å; M111-I114 PolarHBondContact O-N 2.93Å; M111-I114 HydrophobicContact SD-CD1 4.1Å; I114-D116 VanDerWaalsContact C-N 3.28Å; I114-D116 PolarHBondContact O-N 2.96Å; I114-I117 PolarHBondContact O-N 3.37Å; I114-I118 HydrophobicContact CG2-CD1 4.2Å; I114-I118 WeakPolarHBondContact O-CG1 3.27Å; I114-I118 PolarHBondContact O-N 2.89Å; I114-I118 VanDerWaalsContact O-N 3.16Å; I114-I206 HydrophobicContact CB-CD1 4.02Å; I114-I206 HydrophobicContact CG1-CD1 3.29Å; I114-I206 HydrophobicContact CG1-CG1 4.11Å
115	F	91.4	Very high	87.2	Confident	85 Å²	85	41.6 Å²	41.6	37%	0.373	20%	0.198	S	C	.	.	H	α-helix	trans	-61.3	-37.3	178.4	-78	-64.8	0	0	0	112.2	L55 W70 M111 V112 I117 I118 V119	L55-F115 HydrophobicContact CD2-CD1 4.42Å; L55-F115 HydrophobicContact CD2-CE1 4.3Å; W70-F115 HydrophobicContact CH2-CB 3.57Å; W70-F115 HydrophobicContact CH2-CG 4.44Å; W70-F115 HydrophobicContact CZ2-CB 3.63Å; M111-F115 WeakPolarHBondContact O-CD2 3.35Å; M111-F115 PolarHBondContact O-N 3.47Å; V112-F115 PolarHBondContact O-N 3.5Å; F115-I117 PolarHBondContact O-N 2.74Å; F115-I118 HydrophobicContact CD1-CD1 4.36Å; F115-I118 WeakPolarHBondContact O-CB 3.38Å; F115-I118 PolarHBondContact O-N 2.9Å; F115-V119 WeakPolarHBondContact O-CG2 3.39Å; F115-V119 PolarHBondContact O-N 3.15Å
116	D	91.7	Very high	85.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-41.2	177.9	-177.5	65	0	0	0	111.9	W70 V74 V112 Y113 I114 I118 V119 K120 K230	W70-D116 HydrophobicContact CZ2-CB 4.25Å; W70-D116 PolarHBondContact NE1-OD1 3.12Å; W70-D116 VanDerWaalsContact NE1-OD1 3.1Å; V74-D116 HydrophobicContact CG1-CB 4.44Å; V74-D116 HydrophobicContact CG2-CB 3.98Å; V112-D116 WeakPolarHBondContact O-CB 3.41Å; V112-D116 PolarHBondContact O-N 2.96Å; Y113-D116 PolarHBondContact O-N 3.39Å; I114-D116 VanDerWaalsContact C-N 3.28Å; I114-D116 PolarHBondContact O-N 2.96Å; D116-I118 VanDerWaalsContact C-N 3.32Å; D116-I118 PolarHBondContact O-N 3.22Å; D116-V119 PolarHBondContact O-N 2.99Å; D116-K120 WeakPolarHBondContact O-CG 3.15Å; D116-K120 PolarHBondContact O-N 3.32Å; D116-K120 WeakPolarHBondContact OD2-CE 3.31Å; D116-K120 IonicContact OD2-NZ 3.47Å; D116-K120 PolarHBondContact OD2-NZ 2.9Å; D116-K230 WeakPolarHBondContact OD2-CE 3.33Å; D116-K230 IonicContact OD2-NZ 2.78Å; D116-K230 PolarHBondContact OD2-NZ 3.13Å
117	I	89.3	Confident	82.9	Confident	20 Å²	20	44 Å²	44	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-43.3	174	-66.9	-178.6	0	0	0	110.6	Y113 I114 F115 V119 K120 F121 D202 I206	Y113-I117 WeakPolarHBondContact O-CG1 3.38Å; Y113-I117 PolarHBondContact O-N 3.43Å; Y113-I117 VanDerWaalsContact O-N 3.09Å; I114-I117 PolarHBondContact O-N 3.37Å; F115-I117 PolarHBondContact O-N 2.74Å; I117-V119 VanDerWaalsContact C-N 3.33Å; I117-V119 PolarHBondContact O-N 3.43Å; I117-K120 PolarHBondContact O-N 3.42Å; I117-F121 HydrophobicContact CG2-CD2 3.74Å; I117-F121 HydrophobicContact CG2-CE2 3.51Å; I117-F121 WeakPolarHBondContact O-CD2 3.45Å; I117-F121 PolarHBondContact O-N 2.88Å; I117-D202 HydrophobicContact CD1-CB 4.25Å; I117-D202 HydrophobicContact CG1-CB 4.23Å; I117-I206 HydrophobicContact CD1-CB 4.35Å; I117-I206 HydrophobicContact CD1-CD1 3.8Å; I117-I206 HydrophobicContact CD1-CG2 4.04Å
118	I	89.2	Confident	80.5	Confident	65 Å²	65	42.3 Å²	42.3	33%	0.333	22%	0.216	S	C	.	.	H	α-helix	trans	-60.7	-43.2	176.6	-63.4	168.7	0	0	0	111	I114 F115 D116 F121 R122	I114-I118 HydrophobicContact CG2-CD1 4.2Å; I114-I118 WeakPolarHBondContact O-CG1 3.27Å; I114-I118 PolarHBondContact O-N 2.89Å; I114-I118 VanDerWaalsContact O-N 3.16Å; F115-I118 HydrophobicContact CD1-CD1 4.36Å; F115-I118 WeakPolarHBondContact O-CB 3.38Å; F115-I118 PolarHBondContact O-N 2.9Å; D116-I118 VanDerWaalsContact C-N 3.32Å; D116-I118 PolarHBondContact O-N 3.22Å; I118-F121 PolarHBondContact O-N 3.2Å; I118-R122 PolarHBondContact O-N 2.99Å
119	V	88.1	Confident	77.4	Confident	9 Å²	9	45.2 Å²	45.2	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-43.5	176.1	170.1	0	0	0	0	110.5	W54 V60 Y67 W70 F115 D116 I117 F121 R122 T123	W54-V119 HydrophobicContact CH2-CG1 4.15Å; W54-V119 HydrophobicContact CH2-CG2 4.18Å; W54-V119 HydrophobicContact CZ2-CG1 4.46Å; V60-V119 HydrophobicContact CG1-CG1 4.27Å; V60-V119 HydrophobicContact CG2-CG1 4.43Å; Y67-V119 HydrophobicContact CD2-CG1 4Å; Y67-V119 HydrophobicContact CE2-CG1 3.97Å; W70-V119 HydrophobicContact CZ2-CG2 4.46Å; F115-V119 WeakPolarHBondContact O-CG2 3.39Å; F115-V119 PolarHBondContact O-N 3.15Å; D116-V119 PolarHBondContact O-N 2.99Å; I117-V119 VanDerWaalsContact C-N 3.33Å; I117-V119 PolarHBondContact O-N 3.43Å; V119-F121 PolarHBondContact O-N 2.96Å; V119-R122 CarbonylContact O-C 3.6Å; V119-R122 WeakPolarHBondContact O-CA 3.44Å; V119-R122 PolarHBondContact O-N 2.94Å; V119-T123 PolarHBondContact O-N 3.02Å; V119-T123 PolarHBondContact O-OG1 3.34Å
120	K	86.8	Confident	74.4	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.035	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-36.4	178.9	-74.8	-177.6	-177.2	177.6	0	113.4	D116 I117 R122 T123 Y193 D202	D116-K120 WeakPolarHBondContact O-CG 3.15Å; D116-K120 PolarHBondContact O-N 3.32Å; D116-K120 WeakPolarHBondContact OD2-CE 3.31Å; D116-K120 IonicContact OD2-NZ 3.47Å; D116-K120 PolarHBondContact OD2-NZ 2.9Å; I117-K120 PolarHBondContact O-N 3.42Å; K120-R122 PolarHBondContact O-N 3Å; K120-T123 PolarHBondContact O-N 3.11Å; K120-T123 VanDerWaalsContact O-N 3.12Å; K120-Y193 HydrophobicContact CB-CD1 4.41Å; K120-Y193 HydrophobicContact CB-CD2 4.31Å; K120-Y193 HydrophobicContact CB-CE1 3.95Å; K120-Y193 HydrophobicContact CB-CE2 3.89Å; K120-Y193 HydrophobicContact CD-CE2 3.86Å; K120-Y193 HydrophobicContact CG-CE2 4.45Å; K120-D202 VanDerWaalsContact CD-OD2 3.32Å; K120-D202 WeakPolarHBondContact CD-OD2 3.36Å; K120-D202 IonicContact NZ-OD1 3.85Å; K120-D202 PolarHBondContact NZ-OD1 3.43Å; K120-D202 IonicContact NZ-OD2 3.94Å; K120-D202 PolarHBondContact NZ-OD2 3.24Å
121	F	87.2	Confident	71.6	Confident	63 Å²	63	54.1 Å²	54.1	28%	0.276	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-25.8	171.2	-86.1	-71.2	0	0	0	113.4	I117 I118 V119 A190 Y193 M194 F199	I117-F121 HydrophobicContact CG2-CD2 3.74Å; I117-F121 HydrophobicContact CG2-CE2 3.51Å; I117-F121 WeakPolarHBondContact O-CD2 3.45Å; I117-F121 PolarHBondContact O-N 2.88Å; I118-F121 PolarHBondContact O-N 3.2Å; V119-F121 PolarHBondContact O-N 2.96Å; F121-A190 HydrophobicContact CD1-CB 3.82Å; F121-A190 HydrophobicContact CE1-CB 4.31Å; F121-Y193 AromaticContact CD1-CD1 3.86Å; F121-Y193 HydrophobicContact CD1-CD1 3.86Å; F121-Y193 HydrophobicContact CD2-CD1 4.22Å; F121-Y193 HydrophobicContact CD2-CE1 4.12Å; F121-Y193 AromaticContact CE1-CD1 3.89Å; F121-Y193 HydrophobicContact CE1-CD1 3.89Å; F121-Y193 HydrophobicContact CE1-CE1 4.46Å; F121-Y193 HydrophobicContact CE2-CD1 4.23Å; F121-Y193 HydrophobicContact CE2-CE1 4.02Å; F121-Y193 HydrophobicContact CG-CD1 4.03Å; F121-Y193 HydrophobicContact CG-CE1 4.38Å; F121-Y193 HydrophobicContact CZ-CD1 4.06Å; F121-Y193 HydrophobicContact CZ-CE1 4.19Å; F121-M194 HydrophobicContact CE1-CG 3.81Å; F121-M194 HydrophobicContact CE1-SD 4.23Å; F121-M194 HydrophobicContact CZ-CG 4.3Å; F121-F199 HydrophobicContact CE2-CE2 4.11Å; F121-F199 HydrophobicContact CZ-CD2 4.22Å; F121-F199 AromaticContact CZ-CE2 3.64Å; F121-F199 HydrophobicContact CZ-CE2 3.64Å; F121-F199 HydrophobicContact CZ-CZ 4.39Å
122	R	84.8	Confident	68.5	Low	78 Å²	78	54 Å²	54	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-100.3	-5	178.2	-59.6	179.7	-167.3	169.9	7.3	113.5	L55 S57 V60 I118 V119 K120 L186 L189	L55-R122 PolarHBondContact O-NH1 3Å; S57-R122 PolarHBondContact O-NH1 3Å; V60-R122 HydrophobicContact CG2-CB 4.14Å; V60-R122 PolarHBondContact N-O 3Å; I118-R122 PolarHBondContact O-N 2.99Å; V119-R122 CarbonylContact O-C 3.6Å; V119-R122 WeakPolarHBondContact O-CA 3.44Å; V119-R122 PolarHBondContact O-N 2.94Å; K120-R122 PolarHBondContact O-N 3Å; R122-L186 HydrophobicContact CG-CD2 4.2Å; R122-L189 WeakPolarHBondContact O-CD1 3.3Å
123	T	78.2	Confident	65.7	Low	4 Å²	4	58.2 Å²	58.2	3%	0.025	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-96.4	120.6	179.8	-53.8	0	0	0	0	107.9	P62 Y67 V119 K120 E125	P62-T123 HydrophobicContact CB-CG2 3.94Å; P62-T123 HydrophobicContact CG-CG2 4.44Å; Y67-T123 HydrophobicContact CD2-CG2 4.26Å; Y67-T123 HydrophobicContact CE2-CG2 3.73Å; Y67-T123 WeakPolarHBondContact CE2-OG1 3.44Å; V119-T123 PolarHBondContact O-N 3.02Å; V119-T123 PolarHBondContact O-OG1 3.34Å; K120-T123 PolarHBondContact O-N 3.11Å; K120-T123 VanDerWaalsContact O-N 3.12Å; T123-E125 HydrophobicContact CG2-CG 4.02Å; T123-E125 PolarHBondContact O-N 3.48Å; T123-E125 VanDerWaalsContact O-N 3.08Å
124	G	63.1	Low	63	Low	2 Å²	2	60.5 Å²	60.5	2%	0.021	31%	0.311	C	S	.	.			trans	-77	97.6	169.4	0	0	0	0	0	108.3	G175 Y176	G124-G175 CarbonylContact O-C 3.49Å; G124-G175 WeakPolarHBondContact O-CA 3.41Å; G124-Y176 VanDerWaalsContact C-N 3.25Å; G124-Y176 PolarHBondContact O-N 3.1Å
125	E	61.6	Low	60.2	Low	18 Å²	18	64.2 Å²	64.2	8%	0.084	33%	0.331	C	S	.	.			trans	-94.8	132.9	166.1	-72.3	177.5	-173.7	0	0	109.3	Y67 T123 N174 N192 R198	Y67-E125 PolarHBondContact OH-OE1 2.98Å; T123-E125 HydrophobicContact CG2-CG 4.02Å; T123-E125 PolarHBondContact O-N 3.48Å; T123-E125 VanDerWaalsContact O-N 3.08Å; E125-N174 WeakPolarHBondContact CA-O 3.27Å; E125-N192 PolarHBondContact O-ND2 3.36Å; E125-R198 IonicContact OE1-NH1 2.74Å; E125-R198 IonicContact OE2-CZ 3.21Å; E125-R198 IonicContact OE2-NE 3.27Å; E125-R198 IonicContact OE2-NH1 3.8Å; E125-R198 PolarHBondContact OE2-NH1 2.92Å
126	S	49.3	Very low	57.3	Low	45 Å²	45	64.1 Å²	64.1	32%	0.315	34%	0.335	S	S	.	.			trans	-63.1	144.2	172	41.3	0	0	0	0	109.3	M128 T173 N174 G175	S126-M128 PolarHBondContact O-N 3.13Å; S126-T173 PolarHBondContact OG-O 3.36Å; S126-N174 PolarHBondContact N-O 3.45Å; S126-G175 VanDerWaalsContact CB-O 3.28Å; S126-G175 WeakPolarHBondContact CB-O 3.43Å; S126-G175 VanDerWaalsContact N-C 3.3Å; S126-G175 PolarHBondContact OG-O 3.45Å
127	P	42.2	Very low	54.6	Low	74 Å²	74	72.3 Å²	72.3	48%	0.481	37%	0.366	S	S	.	.			trans	-58.2	107	169.7	24.4	-31.1	0	0	0	107	F129	P127-F129 VanDerWaalsContact C-N 3.35Å; P127-F129 PolarHBondContact O-N 3.46Å
128	M	40.2	Very low	52	Low	77 Å²	77	77.4 Å²	77.4	38%	0.379	39%	0.392	S	S	.	.			trans	-61.2	105.6	169.8	-171.2	178.6	-77.1	0	0	105	S126 R131	S126-M128 PolarHBondContact O-N 3.13Å; M128-R131 HydrophobicContact CG-CG 4.25Å; M128-R131 HydrophobicContact SD-CG 4.27Å
129	F	28	Very low	49.2	Very low	180 Å²	180	76.8 Å²	76.8	79%	0.789	40%	0.397	S	S	*	.			trans	-44.1	134.5	169.8	-91	-87.5	0	0	0	107.3	P127 R131	P127-F129 VanDerWaalsContact C-N 3.35Å; P127-F129 PolarHBondContact O-N 3.46Å; F129-R131 PolarHBondContact O-N 3.44Å
130	P	29.6	Very low	46.3	Very low	115 Å²	115	79.8 Å²	79.8	75%	0.747	42%	0.418	S	S	*	.			trans	-52.5	110	-177.3	21.5	-30.6	0	0	0	106.5	S132	P130-S132 PolarHBondContact O-N 3.07Å
131	R	33.3	Very low	43.8	Very low	95 Å²	95	83.1 Å²	83.1	36%	0.358	44%	0.441	S	S	.	.			trans	-66.1	84.5	-178.8	-79.6	169.3	156.6	-167.9	6.8	106.3	M128 F129 I133 H134 E239	M128-R131 HydrophobicContact CG-CG 4.25Å; M128-R131 HydrophobicContact SD-CG 4.27Å; F129-R131 PolarHBondContact O-N 3.44Å; R131-I133 PolarHBondContact O-N 2.82Å; R131-H134 HydrophobicContact CB-CB 3.89Å; R131-H134 WeakPolarHBondContact CD-CD2 3.49Å; R131-H134 HydrophobicContact CG-CB 4.3Å; R131-H134 WeakPolarHBondContact CG-CD2 3.27Å; R131-H134 PolarHBondContact NE-CD2 3.44Å; R131-H134 PolarHBondContact NE-NE2 3.43Å; R131-H134 VanDerWaalsContact NE-NE2 3.14Å; R131-H134 PolarHBondContact NH1-CE1 3.04Å; R131-H134 PolarHBondContact NH1-ND1 2.91Å; R131-H134 VanDerWaalsContact NH1-ND1 3.16Å; R131-H134 PolarHBondContact O-N 3.44Å; R131-E239 IonicContact CZ-OE1 3.18Å; R131-E239 IonicContact NH1-OE1 3.04Å; R131-E239 PolarHBondContact NH1-OE1 3.48Å; R131-E239 IonicContact NH1-OE2 2.69Å; R131-E239 IonicContact NH2-OE1 3.48Å; R131-E239 PolarHBondContact NH2-OE1 3.17Å; R131-E239 IonicContact NH2-OE2 3.41Å; R131-E239 PolarHBondContact NH2-OE2 2.62Å
132	S	27.3	Very low	41.1	Very low	103 Å²	103	83.7 Å²	83.7	72%	0.72	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	8.3	156.3	60.3	0	0	0	0	111.7	P130 N136	P130-S132 PolarHBondContact O-N 3.07Å; S132-N136 PolarHBondContact O-ND2 2.69Å
133	I	32.7	Very low	38.4	Very low	110 Å²	110	85.1 Å²	85.1	56%	0.564	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-1.8	-175.2	-63.7	173.3	0	0	0	112.9	R131 R137	R131-I133 PolarHBondContact O-N 2.82Å; I133-R137 PolarHBondContact O-N 3.23Å
134	H	36.7	Very low	36.2	Very low	48 Å²	48	90.7 Å²	90.7	22%	0.222	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-16.3	179.2	-80.7	-101	0	0	0	117.3	R131 N136 R137	R131-H134 HydrophobicContact CB-CB 3.89Å; R131-H134 WeakPolarHBondContact CD-CD2 3.49Å; R131-H134 HydrophobicContact CG-CB 4.3Å; R131-H134 WeakPolarHBondContact CG-CD2 3.27Å; R131-H134 PolarHBondContact NE-CD2 3.44Å; R131-H134 PolarHBondContact NE-NE2 3.43Å; R131-H134 VanDerWaalsContact NE-NE2 3.14Å; R131-H134 PolarHBondContact NH1-CE1 3.04Å; R131-H134 PolarHBondContact NH1-ND1 2.91Å; R131-H134 VanDerWaalsContact NH1-ND1 3.16Å; R131-H134 PolarHBondContact O-N 3.44Å; H134-N136 PolarHBondContact O-N 3.34Å; H134-R137 PolarHBondContact O-N 3.04Å
135	L	33.6	Very low	34.6	Very low	149 Å²	149	101 Å²	101	78%	0.78	55%	0.55	S	S	*	*	H	α-helix	trans	-64.2	-30.9	151.9	-107.2	94.2	0	0	0	109.8	R137 L138 A139	L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 2.98Å; L135-L138 PolarHBondContact O-N 3.41Å; L135-A139 WeakPolarHBondContact O-CA 3.41Å; L135-A139 WeakPolarHBondContact O-CB 3.35Å; L135-A139 PolarHBondContact O-N 3.44Å
136	N	29.8	Very low	33.2	Very low	83 Å²	83	108 Å²	108	44%	0.444	59%	0.586	S	S	.	*	H	α-helix	trans	-71.9	-7.8	171.6	-76	-27.1	0	0	0	114.3	S132 H134 C140	S132-N136 PolarHBondContact O-ND2 2.69Å; H134-N136 PolarHBondContact O-N 3.34Å; N136-C140 HydrophobicContact CB-CB 4.03Å; N136-C140 VanDerWaalsContact O-CA 3.23Å; N136-C140 WeakPolarHBondContact O-CA 3.43Å; N136-C140 WeakPolarHBondContact O-CB 3.4Å; N136-C140 PolarHBondContact O-N 3.47Å
137	R	35.7	Very low	32.3	Very low	173 Å²	173	117.4 Å²	117.4	65%	0.653	62%	0.615	S	S	*	*	H	α-helix	trans	-87.5	-22.7	169.2	-78.7	-162.7	-177.8	-171.7	-1.1	113.6	I133 H134 L135	I133-R137 PolarHBondContact O-N 3.23Å; H134-R137 PolarHBondContact O-N 3.04Å; L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 2.98Å
138	L	34.7	Very low	31.8	Very low	126 Å²	126	122 Å²	122	66%	0.66	63%	0.63	S	S	*	*	H	α-helix	trans	-91.2	-26	167.5	-79.6	150.8	0	0	0	112.2	L135	L135-L138 PolarHBondContact O-N 3.41Å
139	A	29.3	Very low	31.5	Very low	52 Å²	52	124.7 Å²	124.7	43%	0.43	64%	0.641	S	S	.	*	H	α-helix	trans	-102.9	-23.4	-179.6	0	0	0	0	0	115.5	L135 C141 A142	L135-A139 WeakPolarHBondContact O-CA 3.41Å; L135-A139 WeakPolarHBondContact O-CB 3.35Å; L135-A139 PolarHBondContact O-N 3.44Å; A139-C141 VanDerWaalsContact C-N 3.34Å; A139-A142 WeakPolarHBondContact O-CB 3.43Å; A139-A142 PolarHBondContact O-N 2.97Å
140	C	28.5	Very low	32	Very low	73 Å²	73	127.2 Å²	127.2	49%	0.493	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-84.4	-7.7	179.1	-155.7	0	0	0	0	113	N136 A142 C143	N136-C140 HydrophobicContact CB-CB 4.03Å; N136-C140 VanDerWaalsContact O-CA 3.23Å; N136-C140 WeakPolarHBondContact O-CA 3.43Å; N136-C140 WeakPolarHBondContact O-CB 3.4Å; N136-C140 PolarHBondContact O-N 3.47Å; C140-A142 PolarHBondContact O-N 3.45Å; C140-C143 PolarHBondContact O-N 3.35Å
141	C	33.1	Very low	32.5	Very low	77 Å²	77	128.8 Å²	128.8	52%	0.52	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-72	-9	163.7	-69.5	0	0	0	0	112.6	A139	A139-C141 VanDerWaalsContact C-N 3.34Å
142	A	31.3	Very low	32.7	Very low	75 Å²	75	130.7 Å²	130.7	62%	0.62	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-90	2.8	171.8	0	0	0	0	0	114	A139 C140 V144	A139-A142 WeakPolarHBondContact O-CB 3.43Å; A139-A142 PolarHBondContact O-N 2.97Å; C140-A142 PolarHBondContact O-N 3.45Å; A142-V144 PolarHBondContact O-N 3.37Å
143	C	27.5	Very low	33.3	Very low	108 Å²	108	128.9 Å²	128.9	73%	0.73	65%	0.645	S	S	*	*			trans	-78.3	76.4	167.3	-103	0	0	0	0	110.7	C140 R145	C140-C143 PolarHBondContact O-N 3.35Å; C143-R145 PolarHBondContact O-N 2.92Å
144	V	31.6	Very low	33.7	Very low	121 Å²	121	128.2 Å²	128.2	73%	0.733	65%	0.646	S	S	*	*			trans	-44.6	113.6	156.8	169.4	0	0	0	0	109.7	A142	A142-V144 PolarHBondContact O-N 3.37Å
145	R	30.7	Very low	33.9	Very low	220 Å²	220	129.2 Å²	129.2	83%	0.83	66%	0.655	S	S	*	*			trans	70.8	80.6	131	-160.4	-172.9	-155.9	170.8	4.5	118.3	C143	C143-R145 PolarHBondContact O-N 2.92Å
146	I	31.1	Very low	34.1	Very low	165 Å²	165	126.6 Å²	126.6	85%	0.846	64%	0.642	S	S	*	*			trans	-132.7	106.6	138.4	-76.6	159	0	0	0	109.1	H148	I146-H148 PolarHBondContact O-N 2.97Å
147	R	30.8	Very low	34.5	Very low	242 Å²	242	131.8 Å²	131.8	91%	0.913	66%	0.655	S	S	*	*			trans	-94.1	57.5	-178.3	-163.9	-173	-159.1	177.3	5.1	109.2
148	H	33.2	Very low	34.7	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.787	65%	0.645	S	S	*	*			trans	-166.9	127.4	172.8	-106.9	-81.4	0	0	0	108.6	I146	I146-H148 PolarHBondContact O-N 2.97Å
149	Q	33.3	Very low	34.8	Very low	133 Å²	133	125.1 Å²	125.1	62%	0.621	64%	0.639	S	S	*	*			trans	121.4	57	177.7	-67.2	-79.2	-11.3	0	0	113.6	H151 F152	Q149-H151 PolarHBondContact O-N 3.12Å; Q149-F152 HydrophobicContact CB-CB 4.27Å; Q149-F152 PolarHBondContact O-N 3.26Å
150	R	38.7	Very low	35.4	Very low	233 Å²	233	127.4 Å²	127.4	88%	0.879	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-7.2	165.5	-88.4	-178.2	167.4	175.9	-4.5	113.8	T154	R150-T154 PolarHBondContact O-OG1 3.12Å
151	H	40.4	Very low	36.1	Very low	148 Å²	148	129.8 Å²	129.8	69%	0.685	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-27.8	179.1	-73.6	-77.6	0	0	0	113.7	Q149 V155	Q149-H151 PolarHBondContact O-N 3.12Å; H151-V155 VanDerWaalsContact O-CB 3.32Å; H151-V155 WeakPolarHBondContact O-CB 3.45Å; H151-V155 WeakPolarHBondContact O-CG2 3.42Å; H151-V155 PolarHBondContact O-N 2.87Å
152	F	37.6	Very low	36.3	Very low	135 Å²	135	134 Å²	134	59%	0.592	67%	0.666	S	S	*	*	H	α-helix	trans	-77	-36	-173.4	-136.5	-100.2	0	0	0	113.7	Q149 V155 L156	Q149-F152 HydrophobicContact CB-CB 4.27Å; Q149-F152 PolarHBondContact O-N 3.26Å; F152-V155 PolarHBondContact O-N 3.26Å; F152-L156 HydrophobicContact CD1-CD1 3.64Å; F152-L156 HydrophobicContact CE1-CD1 3.82Å; F152-L156 WeakPolarHBondContact O-CB 3.31Å; F152-L156 PolarHBondContact O-N 2.76Å
153	A	38.3	Very low	36.5	Very low	66 Å²	66	137.6 Å²	137.6	55%	0.545	68%	0.675	S	S	.	*	H	α-helix	trans	-71.7	-30.2	176.9	0	0	0	0	0	113.1	R157	A153-R157 WeakPolarHBondContact O-CG 3.46Å; A153-R157 PolarHBondContact O-N 3.17Å
154	T	40.8	Very low	36.7	Very low	95 Å²	95	135.7 Å²	135.7	58%	0.583	66%	0.663	S	S	*	*	H	α-helix	trans	-77.1	-37.1	175.7	-46.5	0	0	0	0	110.9	R150 A158	R150-T154 PolarHBondContact O-OG1 3.12Å; T154-A158 VanDerWaalsContact O-CB 3.28Å; T154-A158 WeakPolarHBondContact O-CB 3.38Å; T154-A158 PolarHBondContact O-N 2.93Å
155	V	41	Very low	36.5	Very low	69 Å²	69	134.5 Å²	134.5	42%	0.418	68%	0.675	S	S	.	*	H	α-helix	trans	-72.6	-37.3	176.3	171.3	0	0	0	0	111.8	H151 F152 A158 I159	H151-V155 VanDerWaalsContact O-CB 3.32Å; H151-V155 WeakPolarHBondContact O-CB 3.45Å; H151-V155 WeakPolarHBondContact O-CG2 3.42Å; H151-V155 PolarHBondContact O-N 2.87Å; F152-V155 PolarHBondContact O-N 3.26Å; V155-A158 PolarHBondContact O-N 3.16Å; V155-I159 HydrophobicContact CG1-CD1 3.45Å; V155-I159 VanDerWaalsContact CG1-CD1 3.45Å; V155-I159 HydrophobicContact CG1-CG1 4.14Å; V155-I159 VanDerWaalsContact O-CB 3.31Å; V155-I159 WeakPolarHBondContact O-CB 3.36Å; V155-I159 WeakPolarHBondContact O-CG1 3.32Å; V155-I159 PolarHBondContact O-N 3.43Å
156	L	38.2	Very low	36.4	Very low	94 Å²	94	131 Å²	131	49%	0.492	67%	0.672	S	S	.	*	H	α-helix	trans	-68.7	-35.9	172.6	-95.9	149.2	0	0	0	113	F152 V160	F152-L156 HydrophobicContact CD1-CD1 3.64Å; F152-L156 HydrophobicContact CE1-CD1 3.82Å; F152-L156 WeakPolarHBondContact O-CB 3.31Å; F152-L156 PolarHBondContact O-N 2.76Å; L156-V160 WeakPolarHBondContact O-CB 3.45Å; L156-V160 VanDerWaalsContact O-CG2 3.22Å; L156-V160 WeakPolarHBondContact O-CG2 3.3Å; L156-V160 PolarHBondContact O-N 2.89Å; L156-V160 VanDerWaalsContact O-N 3.14Å
157	R	38.3	Very low	36.3	Very low	193 Å²	193	126.6 Å²	126.6	73%	0.728	67%	0.667	S	S	*	*	H	α-helix	trans	-67.7	-37.9	170.3	-76.3	-174.6	-170.3	-155.7	2.4	111.8	A153 I161	A153-R157 WeakPolarHBondContact O-CG 3.46Å; A153-R157 PolarHBondContact O-N 3.17Å; R157-I161 VanDerWaalsContact O-CB 3.32Å; R157-I161 WeakPolarHBondContact O-CB 3.27Å; R157-I161 WeakPolarHBondContact O-CD1 3.38Å; R157-I161 WeakPolarHBondContact O-CG1 3.18Å; R157-I161 PolarHBondContact O-N 2.94Å
158	A	40	Very low	36.2	Very low	53 Å²	53	122.7 Å²	122.7	44%	0.438	66%	0.663	S	S	.	*	H	α-helix	trans	-71.4	-37.1	177.3	0	0	0	0	0	113.2	T154 V155 I161 H162	T154-A158 VanDerWaalsContact O-CB 3.28Å; T154-A158 WeakPolarHBondContact O-CB 3.38Å; T154-A158 PolarHBondContact O-N 2.93Å; V155-A158 PolarHBondContact O-N 3.16Å; A158-I161 PolarHBondContact O-N 3.19Å; A158-H162 WeakPolarHBondContact O-CB 2.97Å; A158-H162 PolarHBondContact O-N 3.43Å
159	I	38	Very low	36.1	Very low	106 Å²	106	120.4 Å²	120.4	54%	0.544	66%	0.664	S	S	.	*	H	α-helix	trans	-73.6	-32.8	179.8	-70.7	171.3	0	0	0	111.7	V155	V155-I159 HydrophobicContact CG1-CD1 3.45Å; V155-I159 VanDerWaalsContact CG1-CD1 3.45Å; V155-I159 HydrophobicContact CG1-CG1 4.14Å; V155-I159 VanDerWaalsContact O-CB 3.31Å; V155-I159 WeakPolarHBondContact O-CB 3.36Å; V155-I159 WeakPolarHBondContact O-CG1 3.32Å; V155-I159 PolarHBondContact O-N 3.43Å
160	V	42	Very low	36	Very low	99 Å²	99	120.2 Å²	120.2	60%	0.6	67%	0.667	S	S	*	*	H	α-helix	trans	-76	-28.5	175.3	174.4	0	0	0	0	111.8	L156	L156-V160 WeakPolarHBondContact O-CB 3.45Å; L156-V160 VanDerWaalsContact O-CG2 3.22Å; L156-V160 WeakPolarHBondContact O-CG2 3.3Å; L156-V160 PolarHBondContact O-N 2.89Å; L156-V160 VanDerWaalsContact O-N 3.14Å
161	I	41.8	Very low	35.8	Very low	124 Å²	124	117.5 Å²	117.5	64%	0.636	66%	0.664	S	S	*	*	H	α-helix	trans	-81.9	-22.3	-179.7	-69.1	169.2	0	0	0	112.8	R157 A158	R157-I161 VanDerWaalsContact O-CB 3.32Å; R157-I161 WeakPolarHBondContact O-CB 3.27Å; R157-I161 WeakPolarHBondContact O-CD1 3.38Å; R157-I161 WeakPolarHBondContact O-CG1 3.18Å; R157-I161 PolarHBondContact O-N 2.94Å; A158-I161 PolarHBondContact O-N 3.19Å
162	H	38.1	Very low	35.7	Very low	165 Å²	165	118.3 Å²	118.3	76%	0.764	67%	0.669	S	S	*	*	S	Bend	trans	-98.3	-1	-170	-127.4	-70.5	0	0	0	116.5	A158	A158-H162 WeakPolarHBondContact O-CB 2.97Å; A158-H162 PolarHBondContact O-N 3.43Å
163	N	34.2	Very low	35.6	Very low	150 Å²	150	114.4 Å²	114.4	80%	0.802	66%	0.656	S	S	*	*	S	Bend	trans	-129.8	15.9	-172.2	-107	-22.6	0	0	0	116.2
164	S	32.3	Very low	36.2	Very low	68 Å²	68	114.2 Å²	114.2	48%	0.476	65%	0.646	S	S	.	*			trans	-149.2	121.5	170.4	36.3	0	0	0	0	110.8	L166	S164-L166 PolarHBondContact O-N 3.44Å
165	G	28.4	Very low	36.9	Very low	96 Å²	96	109.8 Å²	109.8	99%	0.99	62%	0.618	S	S	*	*			trans	-69.2	44.5	169.4	0	0	0	0	0	112.8
166	L	28.7	Very low	38.1	Very low	148 Å²	148	109 Å²	109	78%	0.775	61%	0.608	S	S	*	*			trans	-105.4	111.7	179.3	-82.6	159.3	0	0	0	107.7	S164 L168	S164-L166 PolarHBondContact O-N 3.44Å; L166-L168 PolarHBondContact O-N 3.32Å
167	G	27.4	Very low	39.4	Very low	72 Å²	72	106.8 Å²	106.8	74%	0.742	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-48.1	137.2	174.5	0	0	0	0	0	111
168	L	30	Very low	40.7	Very low	159 Å²	159	101.7 Å²	101.7	83%	0.832	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-46.4	121.7	170.2	-71.5	156.8	0	0	0	108.5	L166 D170	L166-L168 PolarHBondContact O-N 3.32Å; L168-D170 PolarHBondContact O-N 3.3Å
169	P	30.7	Very low	42	Very low	123 Å²	123	108 Å²	108	80%	0.799	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-65.9	125.6	174.1	26.9	-29.4	0	0	0	107.4	E171	P169-E171 PolarHBondContact O-N 3.37Å; P169-E171 VanDerWaalsContact O-N 3.16Å
170	D	30.9	Very low	43.2	Very low	128 Å²	128	104.7 Å²	104.7	68%	0.684	59%	0.593	S	S	*	*			trans	-40.3	117.4	-177.7	-75.5	-46.3	0	0	0	112.2	L168 Q172	L168-D170 PolarHBondContact O-N 3.3Å; D170-Q172 PolarHBondContact O-N 3.35Å
171	E	34.6	Very low	44.3	Very low	177 Å²	177	104.3 Å²	104.3	83%	0.827	59%	0.587	S	S	*	*	S	Bend	trans	-70.7	117.1	178.2	-158.5	167.2	-164.7	0	0	109.1	P169	P169-E171 PolarHBondContact O-N 3.37Å; P169-E171 VanDerWaalsContact O-N 3.16Å
172	Q	37.8	Very low	45.6	Very low	165 Å²	165	100.8 Å²	100.8	77%	0.771	57%	0.569	S	S	*	*			trans	61.5	50.7	158.9	-64.8	-173.8	1.8	0	0	118.9	D170	D170-Q172 PolarHBondContact O-N 3.35Å
173	T	36.8	Very low	47.3	Very low	53 Å²	53	93.5 Å²	93.5	33%	0.325	54%	0.537	S	S	.	.			trans	-104.9	99.9	156.4	43.2	0	0	0	0	109.5	Y63 S126 G175 L177	Y63-T173 HydrophobicContact CE1-CG2 4.49Å; Y63-T173 WeakPolarHBondContact OH-CA 3.41Å; Y63-T173 WeakPolarHBondContact OH-CB 3.09Å; Y63-T173 PolarHBondContact OH-O 3.32Å; S126-T173 PolarHBondContact OG-O 3.36Å; T173-G175 PolarHBondContact O-N 3.44Å; T173-L177 HydrophobicContact CG2-CD1 4.09Å; T173-L177 WeakPolarHBondContact OG1-CD1 3.27Å
174	N	51.3	Low	49.3	Very low	62 Å²	62	93.9 Å²	93.9	33%	0.332	53%	0.527	S	S	.	.			trans	-57.2	10.9	171.3	-73.3	-10.7	0	0	0	115.1	Y63 E125 S126	Y63-N174 HydrophobicContact CE1-CB 4.25Å; Y63-N174 PolarHBondContact OH-N 3.2Å; E125-N174 WeakPolarHBondContact CA-O 3.27Å; S126-N174 PolarHBondContact N-O 3.45Å
175	G	55.1	Low	51.6	Low	1 Å²	1	94.2 Å²	94.2	1%	0.01	52%	0.523	C	S	.	.	S	Bend	trans	-107.9	147.3	-174.4	0	0	0	0	0	111.6	Y63 G124 S126 T173 L177	Y63-G175 VanDerWaalsContact OH-CA 3.3Å; Y63-G175 WeakPolarHBondContact OH-CA 3.26Å; Y63-G175 PolarHBondContact OH-N 2.85Å; G124-G175 CarbonylContact O-C 3.49Å; G124-G175 WeakPolarHBondContact O-CA 3.41Å; S126-G175 VanDerWaalsContact CB-O 3.28Å; S126-G175 WeakPolarHBondContact CB-O 3.43Å; S126-G175 VanDerWaalsContact N-C 3.3Å; S126-G175 PolarHBondContact OG-O 3.45Å; T173-G175 PolarHBondContact O-N 3.44Å; G175-L177 VanDerWaalsContact C-N 3.32Å; G175-L177 PolarHBondContact O-N 3.05Å
176	Y	65.6	Low	54.3	Low	53 Å²	53	93.3 Å²	93.3	21%	0.208	50%	0.495	C	S	.	.			trans	-70.1	93.3	174.3	-170.6	-117.6	0	0	0	108.2	G124 V183 K188 L189 N192	G124-Y176 VanDerWaalsContact C-N 3.25Å; G124-Y176 PolarHBondContact O-N 3.1Å; Y176-V183 HydrophobicContact CD1-CB 3.51Å; Y176-V183 HydrophobicContact CD1-CG1 3.87Å; Y176-V183 HydrophobicContact CD1-CG2 3.56Å; Y176-V183 HydrophobicContact CE1-CB 3.89Å; Y176-V183 HydrophobicContact CE1-CG1 3.89Å; Y176-V183 HydrophobicContact CE1-CG2 3.62Å; Y176-V183 HydrophobicContact CG-CG2 4.49Å; Y176-V183 PolarHBondContact O-N 3.14Å; Y176-V183 VanDerWaalsContact O-N 3.08Å; Y176-K188 HydrophobicContact CE1-CB 4.18Å; Y176-L189 HydrophobicContact CD1-CD2 3.7Å; Y176-L189 HydrophobicContact CG-CD2 4.32Å; Y176-N192 HydrophobicContact CE2-CB 4.45Å
177	L	65.5	Low	57	Low	48 Å²	48	95.7 Å²	95.7	25%	0.251	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.8	177.4	-60.5	-173.8	0	0	0	109.9	T173 G175 L181 I182	T173-L177 HydrophobicContact CG2-CD1 4.09Å; T173-L177 WeakPolarHBondContact OG1-CD1 3.27Å; G175-L177 VanDerWaalsContact C-N 3.32Å; G175-L177 PolarHBondContact O-N 3.05Å; L177-L181 VanDerWaalsContact CA-O 3.28Å; L177-L181 WeakPolarHBondContact CA-O 3.46Å; L177-I182 HydrophobicContact CD2-CB 4.19Å; L177-I182 HydrophobicContact CD2-CG1 3.5Å; L177-I182 VanDerWaalsContact CD2-CG1 3.5Å
178	E	66.1	Low	59.7	Low	85 Å²	85	96 Å²	96	40%	0.397	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118	169	-165.9	174.1	178.9	0	0	105.9	G180 L181 V183 K188	E178-G180 VanDerWaalsContact C-N 3.3Å; E178-G180 PolarHBondContact O-N 3.29Å; E178-L181 PolarHBondContact N-O 3.39Å; E178-L181 PolarHBondContact O-N 3.48Å; E178-L181 VanDerWaalsContact O-N 3.09Å; E178-V183 HydrophobicContact CB-CG2 3.42Å; E178-V183 VanDerWaalsContact CB-CG2 3.42Å; E178-K188 IonicContact OE1-NZ 3.45Å; E178-K188 PolarHBondContact OE1-NZ 2.88Å; E178-K188 IonicContact OE2-NZ 2.7Å; E178-K188 PolarHBondContact OE2-NZ 2.95Å
179	Q	67.2	Low	62.2	Low	187 Å²	187	88.4 Å²	88.4	87%	0.874	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	36.2	-175.4	-54.7	176.6	-26.2	0	0	114.4	L181	Q179-L181 PolarHBondContact O-N 2.91Å
180	G	62.1	Low	64.8	Low	35 Å²	35	83.7 Å²	83.7	36%	0.361	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	0.8	-178.1	0	0	0	0	0	114.6	E178	E178-G180 VanDerWaalsContact C-N 3.3Å; E178-G180 PolarHBondContact O-N 3.29Å
181	L	66.8	Low	67.5	Low	91 Å²	91	82 Å²	82	48%	0.476	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.1	176.5	-64.4	173.1	0	0	0	110.5	V35 L177 E178 Q179 V183	V35-L181 HydrophobicContact CG2-CD2 3.83Å; L177-L181 VanDerWaalsContact CA-O 3.28Å; L177-L181 WeakPolarHBondContact CA-O 3.46Å; E178-L181 PolarHBondContact N-O 3.39Å; E178-L181 PolarHBondContact O-N 3.48Å; E178-L181 VanDerWaalsContact O-N 3.09Å; Q179-L181 PolarHBondContact O-N 2.91Å; L181-V183 PolarHBondContact O-N 3.3Å
182	I	68.9	Low	69.7	Low	50 Å²	50	75 Å²	75	26%	0.256	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	119.7	172.9	-61.8	166.8	0	0	0	108.2	V61 L177 R184	V61-I182 HydrophobicContact CG1-CD1 4.02Å; L177-I182 HydrophobicContact CD2-CB 4.19Å; L177-I182 HydrophobicContact CD2-CG1 3.5Å; L177-I182 VanDerWaalsContact CD2-CG1 3.5Å; I182-R184 PolarHBondContact O-N 2.92Å
183	V	72.9	Confident	72	Confident	13 Å²	13	67.5 Å²	67.5	8%	0.079	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68.7	124.1	175.3	177	0	0	0	0	109	Y176 E178 L181 D185 K188 L189	Y176-V183 HydrophobicContact CD1-CB 3.51Å; Y176-V183 HydrophobicContact CD1-CG1 3.87Å; Y176-V183 HydrophobicContact CD1-CG2 3.56Å; Y176-V183 HydrophobicContact CE1-CB 3.89Å; Y176-V183 HydrophobicContact CE1-CG1 3.89Å; Y176-V183 HydrophobicContact CE1-CG2 3.62Å; Y176-V183 HydrophobicContact CG-CG2 4.49Å; Y176-V183 PolarHBondContact O-N 3.14Å; Y176-V183 VanDerWaalsContact O-N 3.08Å; E178-V183 HydrophobicContact CB-CG2 3.42Å; E178-V183 VanDerWaalsContact CB-CG2 3.42Å; L181-V183 PolarHBondContact O-N 3.3Å; V183-D185 HydrophobicContact CG1-CB 4.19Å; V183-K188 HydrophobicContact CG1-CB 3.97Å; V183-K188 HydrophobicContact CG1-CD 3.89Å; V183-L189 HydrophobicContact CB-CD2 4.21Å; V183-L189 HydrophobicContact CG1-CD2 4.12Å
184	R	75.4	Confident	74.4	Confident	158 Å²	158	69.9 Å²	69.9	60%	0.596	34%	0.338	S	S	*	.			trans	-101.9	-3.9	178.5	-65	-176.4	177.4	-168.4	-3	113.5	V59 I182 L186	V59-R184 HydrophobicContact CG1-CG 4.47Å; V59-R184 HydrophobicContact CG2-CB 4.08Å; V59-R184 WeakPolarHBondContact CG2-O 3.48Å; I182-R184 PolarHBondContact O-N 2.92Å; R184-L186 PolarHBondContact O-N 2.72Å
185	D	81.9	Confident	76	Confident	74 Å²	74	74.9 Å²	74.9	40%	0.396	36%	0.357	S	S	.	.			trans	-75.9	108.8	-179.4	-177	-5.2	0	0	0	111.1	V183 R187 K188 L189	V183-D185 HydrophobicContact CG1-CB 4.19Å; D185-R187 PolarHBondContact O-N 2.95Å; D185-R187 VanDerWaalsContact O-N 3.15Å; D185-R187 PolarHBondContact OD1-N 2.99Å; D185-K188 HydrophobicContact CB-CB 4.22Å; D185-K188 HydrophobicContact CB-CD 4.15Å; D185-K188 HydrophobicContact CB-CG 4.15Å; D185-K188 WeakPolarHBondContact O-CB 3.35Å; D185-K188 PolarHBondContact O-N 3.49Å; D185-L189 WeakPolarHBondContact O-CG 3.43Å; D185-L189 PolarHBondContact O-N 3.14Å
186	L	83.6	Confident	77.1	Confident	77 Å²	77	76.3 Å²	76.3	40%	0.403	37%	0.367	S	S	.	.	H	α-helix	trans	-50.2	-37.2	178.6	-73.7	175	0	0	0	113.7	K58 R122 R184 L189 A190	K58-L186 WeakPolarHBondContact O-CD2 3.17Å; R122-L186 HydrophobicContact CG-CD2 4.2Å; R184-L186 PolarHBondContact O-N 2.72Å; L186-L189 PolarHBondContact O-N 2.89Å; L186-A190 WeakPolarHBondContact O-CB 3.4Å; L186-A190 PolarHBondContact O-N 2.88Å
187	R	85.6	Confident	77.9	Confident	198 Å²	198	78.7 Å²	78.7	75%	0.747	39%	0.387	S	S	*	.	H	α-helix	trans	-69	-43.4	-179.1	-67.9	-175.9	-176.3	-172.6	2.1	110.8	D185 L189 A190 I191	D185-R187 PolarHBondContact O-N 2.95Å; D185-R187 VanDerWaalsContact O-N 3.15Å; D185-R187 PolarHBondContact OD1-N 2.99Å; R187-L189 VanDerWaalsContact C-N 3.35Å; R187-A190 PolarHBondContact O-N 3.32Å; R187-I191 WeakPolarHBondContact O-CB 3.27Å; R187-I191 WeakPolarHBondContact O-CD1 3.35Å; R187-I191 VanDerWaalsContact O-CG1 3.24Å; R187-I191 WeakPolarHBondContact O-CG1 3.38Å; R187-I191 PolarHBondContact O-N 3.38Å
188	K	84	Confident	78.7	Confident	78 Å²	78	78.8 Å²	78.8	34%	0.339	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-43.6	176.2	-71	-175.7	171.5	-172.1	0	111	Y176 E178 V183 D185 N192	Y176-K188 HydrophobicContact CE1-CB 4.18Å; E178-K188 IonicContact OE1-NZ 3.45Å; E178-K188 PolarHBondContact OE1-NZ 2.88Å; E178-K188 IonicContact OE2-NZ 2.7Å; E178-K188 PolarHBondContact OE2-NZ 2.95Å; V183-K188 HydrophobicContact CG1-CB 3.97Å; V183-K188 HydrophobicContact CG1-CD 3.89Å; D185-K188 HydrophobicContact CB-CB 4.22Å; D185-K188 HydrophobicContact CB-CD 4.15Å; D185-K188 HydrophobicContact CB-CG 4.15Å; D185-K188 WeakPolarHBondContact O-CB 3.35Å; D185-K188 PolarHBondContact O-N 3.49Å; K188-N192 VanDerWaalsContact O-CB 3.3Å; K188-N192 WeakPolarHBondContact O-CB 3.49Å; K188-N192 PolarHBondContact O-N 2.91Å
189	L	83.5	Confident	79.6	Confident	1 Å²	1	77 Å²	77	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-61.4	-48.6	177.6	-58	-170.9	0	0	0	111.8	V59 R122 Y176 V183 D185 L186 R187 N192 Y193	V59-L189 HydrophobicContact CG1-CD1 4.12Å; R122-L189 WeakPolarHBondContact O-CD1 3.3Å; Y176-L189 HydrophobicContact CD1-CD2 3.7Å; Y176-L189 HydrophobicContact CG-CD2 4.32Å; V183-L189 HydrophobicContact CB-CD2 4.21Å; V183-L189 HydrophobicContact CG1-CD2 4.12Å; D185-L189 WeakPolarHBondContact O-CG 3.43Å; D185-L189 PolarHBondContact O-N 3.14Å; L186-L189 PolarHBondContact O-N 2.89Å; R187-L189 VanDerWaalsContact C-N 3.35Å; L189-N192 PolarHBondContact O-N 3.15Å; L189-Y193 PolarHBondContact O-N 3.24Å
190	A	85.4	Confident	80.6	Confident	24 Å²	24	74.7 Å²	74.7	20%	0.198	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-45.9	-179.6	0	0	0	0	0	112.6	F121 L186 R187 N192 Y193 M194	F121-A190 HydrophobicContact CD1-CB 3.82Å; F121-A190 HydrophobicContact CE1-CB 4.31Å; L186-A190 WeakPolarHBondContact O-CB 3.4Å; L186-A190 PolarHBondContact O-N 2.88Å; R187-A190 PolarHBondContact O-N 3.32Å; A190-N192 VanDerWaalsContact C-N 3.31Å; A190-N192 PolarHBondContact O-N 2.92Å; A190-Y193 PolarHBondContact O-N 3.01Å; A190-M194 WeakPolarHBondContact O-CB 3.42Å; A190-M194 VanDerWaalsContact O-CG 3.25Å; A190-M194 WeakPolarHBondContact O-CG 3.45Å; A190-M194 PolarHBondContact O-N 3.45Å
191	I	86.4	Confident	81.9	Confident	93 Å²	93	75.7 Å²	75.7	48%	0.477	36%	0.359	S	S	.	.	H	α-helix	trans	-62.2	-41.1	178	-68.8	166.6	0	0	0	110.7	R187 K195	R187-I191 WeakPolarHBondContact O-CB 3.27Å; R187-I191 WeakPolarHBondContact O-CD1 3.35Å; R187-I191 VanDerWaalsContact O-CG1 3.24Å; R187-I191 WeakPolarHBondContact O-CG1 3.38Å; R187-I191 PolarHBondContact O-N 3.38Å; I191-K195 HydrophobicContact CG2-CD 4.22Å; I191-K195 WeakPolarHBondContact O-CG 3.46Å; I191-K195 PolarHBondContact O-N 2.91Å; I191-K195 VanDerWaalsContact O-N 3.15Å
192	N	82.6	Confident	82.9	Confident	28 Å²	28	71.6 Å²	71.6	15%	0.15	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-44.5	178.1	-177.4	65.1	0	0	0	111.7	E125 Y176 K188 L189 A190 K195 S196	E125-N192 PolarHBondContact O-ND2 3.36Å; Y176-N192 HydrophobicContact CE2-CB 4.45Å; K188-N192 VanDerWaalsContact O-CB 3.3Å; K188-N192 WeakPolarHBondContact O-CB 3.49Å; K188-N192 PolarHBondContact O-N 2.91Å; L189-N192 PolarHBondContact O-N 3.15Å; A190-N192 VanDerWaalsContact C-N 3.31Å; A190-N192 PolarHBondContact O-N 2.92Å; N192-K195 PolarHBondContact O-N 3.15Å; N192-S196 PolarHBondContact O-N 3.12Å
193	Y	84.8	Confident	83.9	Confident	8 Å²	8	71 Å²	71	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-46.6	175.8	179.4	-125.5	0	0	0	112	K120 F121 L189 A190 K195 S196 R198 F199 D202	K120-Y193 HydrophobicContact CB-CD1 4.41Å; K120-Y193 HydrophobicContact CB-CD2 4.31Å; K120-Y193 HydrophobicContact CB-CE1 3.95Å; K120-Y193 HydrophobicContact CB-CE2 3.89Å; K120-Y193 HydrophobicContact CD-CE2 3.86Å; K120-Y193 HydrophobicContact CG-CE2 4.45Å; F121-Y193 AromaticContact CD1-CD1 3.86Å; F121-Y193 HydrophobicContact CD1-CD1 3.86Å; F121-Y193 HydrophobicContact CD2-CD1 4.22Å; F121-Y193 HydrophobicContact CD2-CE1 4.12Å; F121-Y193 AromaticContact CE1-CD1 3.89Å; F121-Y193 HydrophobicContact CE1-CD1 3.89Å; F121-Y193 HydrophobicContact CE1-CE1 4.46Å; F121-Y193 HydrophobicContact CE2-CD1 4.23Å; F121-Y193 HydrophobicContact CE2-CE1 4.02Å; F121-Y193 HydrophobicContact CG-CD1 4.03Å; F121-Y193 HydrophobicContact CG-CE1 4.38Å; F121-Y193 HydrophobicContact CZ-CD1 4.06Å; F121-Y193 HydrophobicContact CZ-CE1 4.19Å; L189-Y193 PolarHBondContact O-N 3.24Å; A190-Y193 PolarHBondContact O-N 3.01Å; Y193-K195 PolarHBondContact O-N 2.84Å; Y193-S196 VanDerWaalsContact O-CB 3.25Å; Y193-S196 WeakPolarHBondContact O-CB 3.49Å; Y193-S196 PolarHBondContact O-N 3.34Å; Y193-R198 HydrophobicContact CE2-CB 4.36Å; Y193-F199 AromaticContact CD1-CD2 3.96Å; Y193-F199 HydrophobicContact CD1-CD2 3.96Å; Y193-F199 HydrophobicContact CD2-CB 4.42Å; Y193-F199 HydrophobicContact CE1-CB 4.27Å; Y193-F199 AromaticContact CE1-CD2 3.46Å; Y193-F199 HydrophobicContact CE1-CD2 3.46Å; Y193-F199 VanDerWaalsContact CE1-CD2 3.46Å; Y193-F199 HydrophobicContact CE1-CE2 4.27Å; Y193-F199 HydrophobicContact CE1-CG 4.31Å; Y193-F199 HydrophobicContact CE2-CB 4.13Å; Y193-F199 AromaticContact CZ-CD2 3.88Å; Y193-F199 VanDerWaalsContact O-CB 3.24Å; Y193-F199 WeakPolarHBondContact O-CB 3.37Å; Y193-D202 WeakPolarHBondContact OH-CB 3.14Å; Y193-D202 PolarHBondContact OH-OD2 3.17Å
194	M	86.6	Confident	84.7	Confident	104 Å²	104	73.6 Å²	73.6	51%	0.512	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-29.2	179	-72.8	175.9	70.8	0	0	113.7	F121 A190	F121-M194 HydrophobicContact CE1-CG 3.81Å; F121-M194 HydrophobicContact CE1-SD 4.23Å; F121-M194 HydrophobicContact CZ-CG 4.3Å; A190-M194 WeakPolarHBondContact O-CB 3.42Å; A190-M194 VanDerWaalsContact O-CG 3.25Å; A190-M194 WeakPolarHBondContact O-CG 3.45Å; A190-M194 PolarHBondContact O-N 3.45Å
195	K	85.1	Confident	85.3	Confident	167 Å²	167	66.1 Å²	66.1	73%	0.726	32%	0.322	S	S	*	.	H	α-helix	trans	-77.4	-22.1	174.7	-74	177.1	179.2	-177.3	0	112.9	I191 N192 Y193	I191-K195 HydrophobicContact CG2-CD 4.22Å; I191-K195 WeakPolarHBondContact O-CG 3.46Å; I191-K195 PolarHBondContact O-N 2.91Å; I191-K195 VanDerWaalsContact O-N 3.15Å; N192-K195 PolarHBondContact O-N 3.15Å; Y193-K195 PolarHBondContact O-N 2.84Å
196	S	80.1	Confident	85.6	Confident	31 Å²	31	64.8 Å²	64.8	22%	0.217	32%	0.315	C	S	.	.	S	Bend	trans	-72	145.4	-178.3	-173.9	0	0	0	0	112	N192 Y193 R198 F199	N192-S196 PolarHBondContact O-N 3.12Å; Y193-S196 VanDerWaalsContact O-CB 3.25Å; Y193-S196 WeakPolarHBondContact O-CB 3.49Å; Y193-S196 PolarHBondContact O-N 3.34Å; S196-R198 PolarHBondContact O-N 2.88Å; S196-R198 PolarHBondContact OG-N 2.93Å; S196-F199 PolarHBondContact O-N 3.44Å
197	T	80.5	Confident	85.7	Confident	103 Å²	103	65.5 Å²	65.5	63%	0.632	32%	0.318	S	S	*	.	H	α-helix	trans	-62.4	-23.6	172.6	52.3	0	0	0	0	112.4	F199 K200 L201	T197-F199 VanDerWaalsContact C-N 3.32Å; T197-F199 PolarHBondContact O-N 3.15Å; T197-K200 PolarHBondContact O-N 3.4Å; T197-L201 PolarHBondContact O-N 3.1Å
198	R	82.3	Confident	85.5	Confident	49 Å²	49	60.1 Å²	60.1	19%	0.185	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-41.9	174.2	-65.4	-179	-179.4	-152	-12.7	112	E125 Y193 S196 K200 L201 D202 E236	E125-R198 IonicContact OE1-NH1 2.74Å; E125-R198 IonicContact OE2-CZ 3.21Å; E125-R198 IonicContact OE2-NE 3.27Å; E125-R198 IonicContact OE2-NH1 3.8Å; E125-R198 PolarHBondContact OE2-NH1 2.92Å; Y193-R198 HydrophobicContact CE2-CB 4.36Å; S196-R198 PolarHBondContact O-N 2.88Å; S196-R198 PolarHBondContact OG-N 2.93Å; R198-K200 VanDerWaalsContact C-N 3.29Å; R198-K200 PolarHBondContact O-N 3.32Å; R198-L201 PolarHBondContact O-N 2.97Å; R198-D202 WeakPolarHBondContact O-CB 3.44Å; R198-D202 PolarHBondContact O-N 2.84Å; R198-E236 IonicContact CZ-OE2 3.77Å; R198-E236 IonicContact NH1-OE2 2.73Å; R198-E236 PolarHBondContact NH1-OE2 3.37Å; R198-E236 IonicContact NH2-OE2 2.79Å
199	F	86.7	Confident	85.3	Confident	48 Å²	48	57.7 Å²	57.7	21%	0.211	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-37	179.2	174.8	-107.9	0	0	0	112.3	F121 Y193 S196 T197 S203	F121-F199 HydrophobicContact CE2-CE2 4.11Å; F121-F199 HydrophobicContact CZ-CD2 4.22Å; F121-F199 AromaticContact CZ-CE2 3.64Å; F121-F199 HydrophobicContact CZ-CE2 3.64Å; F121-F199 HydrophobicContact CZ-CZ 4.39Å; Y193-F199 AromaticContact CD1-CD2 3.96Å; Y193-F199 HydrophobicContact CD1-CD2 3.96Å; Y193-F199 HydrophobicContact CD2-CB 4.42Å; Y193-F199 HydrophobicContact CE1-CB 4.27Å; Y193-F199 AromaticContact CE1-CD2 3.46Å; Y193-F199 HydrophobicContact CE1-CD2 3.46Å; Y193-F199 VanDerWaalsContact CE1-CD2 3.46Å; Y193-F199 HydrophobicContact CE1-CE2 4.27Å; Y193-F199 HydrophobicContact CE1-CG 4.31Å; Y193-F199 HydrophobicContact CE2-CB 4.13Å; Y193-F199 AromaticContact CZ-CD2 3.88Å; Y193-F199 VanDerWaalsContact O-CB 3.24Å; Y193-F199 WeakPolarHBondContact O-CB 3.37Å; S196-F199 PolarHBondContact O-N 3.44Å; T197-F199 VanDerWaalsContact C-N 3.32Å; T197-F199 PolarHBondContact O-N 3.15Å; F199-S203 WeakPolarHBondContact CZ-OG 3.26Å; F199-S203 VanDerWaalsContact O-CB 3.27Å; F199-S203 WeakPolarHBondContact O-CB 3.48Å; F199-S203 PolarHBondContact O-N 3.25Å; F199-S203 PolarHBondContact O-OG 3.03Å
200	K	88.1	Confident	84.9	Confident	138 Å²	138	58.2 Å²	58.2	60%	0.6	30%	0.304	S	S	*	.	H	α-helix	trans	-64.3	-46.9	176.2	-62.4	-175.8	-179.7	-178.2	0	111.4	T197 R198 S203 I204	T197-K200 PolarHBondContact O-N 3.4Å; R198-K200 VanDerWaalsContact C-N 3.29Å; R198-K200 PolarHBondContact O-N 3.32Å; K200-S203 PolarHBondContact O-N 3.36Å; K200-I204 VanDerWaalsContact O-CG1 3.29Å; K200-I204 WeakPolarHBondContact O-CG1 3.49Å; K200-I204 PolarHBondContact O-N 3.12Å
201	L	88.1	Confident	84.4	Confident	57 Å²	57	61.2 Å²	61.2	30%	0.298	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-43.5	177.4	-66	175.9	0	0	0	111.8	T197 R198 S203 I204 S205 F229 P232	T197-L201 PolarHBondContact O-N 3.1Å; R198-L201 PolarHBondContact O-N 2.97Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 2.93Å; L201-I204 PolarHBondContact O-N 3.24Å; L201-S205 WeakPolarHBondContact O-CB 3.34Å; L201-S205 PolarHBondContact O-N 3.41Å; L201-F229 HydrophobicContact CD2-CD1 4.06Å; L201-P232 HydrophobicContact CD1-CG 4.02Å
202	D	89.2	Confident	83.8	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-39.4	177.5	-82.2	24.8	0	0	0	111.6	I117 K120 Y193 R198 S205 I206 K230	I117-D202 HydrophobicContact CD1-CB 4.25Å; I117-D202 HydrophobicContact CG1-CB 4.23Å; K120-D202 VanDerWaalsContact CD-OD2 3.32Å; K120-D202 WeakPolarHBondContact CD-OD2 3.36Å; K120-D202 IonicContact NZ-OD1 3.85Å; K120-D202 PolarHBondContact NZ-OD1 3.43Å; K120-D202 IonicContact NZ-OD2 3.94Å; K120-D202 PolarHBondContact NZ-OD2 3.24Å; Y193-D202 WeakPolarHBondContact OH-CB 3.14Å; Y193-D202 PolarHBondContact OH-OD2 3.17Å; R198-D202 WeakPolarHBondContact O-CB 3.44Å; R198-D202 PolarHBondContact O-N 2.84Å; D202-S205 PolarHBondContact O-N 3.41Å; D202-S205 PolarHBondContact O-OG 3.46Å; D202-I206 PolarHBondContact O-N 2.94Å; D202-K230 VanDerWaalsContact CG-NZ 3.25Å; D202-K230 IonicContact OD1-NZ 3.79Å; D202-K230 IonicContact OD2-NZ 3.66Å; D202-K230 PolarHBondContact OD2-NZ 3.48Å
203	S	89.1	Confident	83.3	Confident	38 Å²	38	62 Å²	62	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-66.8	-39.6	176.3	-64	0	0	0	0	112.3	F199 K200 L201 S205 I206	F199-S203 WeakPolarHBondContact CZ-OG 3.26Å; F199-S203 VanDerWaalsContact O-CB 3.27Å; F199-S203 WeakPolarHBondContact O-CB 3.48Å; F199-S203 PolarHBondContact O-N 3.25Å; F199-S203 PolarHBondContact O-OG 3.03Å; K200-S203 PolarHBondContact O-N 3.36Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 2.93Å; S203-S205 VanDerWaalsContact C-N 3.31Å; S203-S205 PolarHBondContact O-N 3.42Å; S203-I206 WeakPolarHBondContact O-CG2 3.39Å
204	I	89.9	Confident	82.7	Confident	67 Å²	67	67.3 Å²	67.3	34%	0.344	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-38.7	174.7	-66.3	163.9	0	0	0	110.5	K200 L201 I206 L207 N226 F229	K200-I204 VanDerWaalsContact O-CG1 3.29Å; K200-I204 WeakPolarHBondContact O-CG1 3.49Å; K200-I204 PolarHBondContact O-N 3.12Å; L201-I204 PolarHBondContact O-N 3.24Å; I204-I206 PolarHBondContact O-N 2.84Å; I204-L207 PolarHBondContact O-N 3.45Å; I204-N226 PolarHBondContact O-ND2 3.4Å; I204-N226 VanDerWaalsContact O-ND2 3.14Å; I204-F229 HydrophobicContact CB-CD2 4.5Å; I204-F229 HydrophobicContact CG2-CB 4.45Å; I204-F229 HydrophobicContact CG2-CD2 3.45Å; I204-F229 VanDerWaalsContact CG2-CD2 3.45Å; I204-F229 HydrophobicContact CG2-CE2 3.85Å; I204-F229 HydrophobicContact CG2-CG 4.01Å
205	S	88.6	Confident	82	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-66	-22.1	-176.5	75.2	0	0	0	0	115.1	L201 D202 S203 N226 R227 K230	L201-S205 WeakPolarHBondContact O-CB 3.34Å; L201-S205 PolarHBondContact O-N 3.41Å; D202-S205 PolarHBondContact O-N 3.41Å; D202-S205 PolarHBondContact O-OG 3.46Å; S203-S205 VanDerWaalsContact C-N 3.31Å; S203-S205 PolarHBondContact O-N 3.42Å; S205-N226 WeakPolarHBondContact CA-O 3.21Å; S205-R227 WeakPolarHBondContact O-CD 3.27Å; S205-K230 WeakPolarHBondContact OG-CD 3.41Å
206	I	87.3	Confident	81.2	Confident	47 Å²	47	65.6 Å²	65.6	24%	0.241	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-3.8	-176.2	-158.7	161.5	0	0	0	113.4	I114 I117 D202 S203 I204	I114-I206 HydrophobicContact CB-CD1 4.02Å; I114-I206 HydrophobicContact CG1-CD1 3.29Å; I114-I206 HydrophobicContact CG1-CG1 4.11Å; I117-I206 HydrophobicContact CD1-CB 4.35Å; I117-I206 HydrophobicContact CD1-CD1 3.8Å; I117-I206 HydrophobicContact CD1-CG2 4.04Å; D202-I206 PolarHBondContact O-N 2.94Å; S203-I206 WeakPolarHBondContact O-CG2 3.39Å; I204-I206 PolarHBondContact O-N 2.84Å
207	L	85.9	Confident	80.7	Confident	91 Å²	91	65.7 Å²	65.7	48%	0.476	35%	0.352	S	S	.	.			trans	-53.1	129	177.3	-73.7	173.3	0	0	0	109	I204 T209 N226	I204-L207 PolarHBondContact O-N 3.45Å; L207-T209 HydrophobicContact CB-CG2 4.18Å; L207-T209 PolarHBondContact O-N 3.3Å; L207-N226 PolarHBondContact O-ND2 3.47Å
208	P	80.5	Confident	80.2	Confident	85 Å²	85	65.3 Å²	65.3	55%	0.552	35%	0.346	S	S	*	.			trans	-77.7	60.1	-176.8	34.4	-37.3	0	0	0	109.5	D210 V211	P208-D210 PolarHBondContact O-N 2.87Å; P208-D210 VanDerWaalsContact O-N 3.1Å; P208-V211 HydrophobicContact CB-CG2 4.13Å; P208-V211 HydrophobicContact CG-CG2 4.48Å; P208-V211 WeakPolarHBondContact O-CB 3.27Å; P208-V211 VanDerWaalsContact O-CG2 3.26Å; P208-V211 WeakPolarHBondContact O-CG2 3.49Å; P208-V211 PolarHBondContact O-N 2.77Å
209	T	80.4	Confident	79.5	Confident	27 Å²	27	65.1 Å²	65.1	17%	0.166	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-62.7	-14	175.9	51.4	0	0	0	0	111.4	L207 V211 F212 A223 N226 R227	L207-T209 HydrophobicContact CB-CG2 4.18Å; L207-T209 PolarHBondContact O-N 3.3Å; T209-V211 PolarHBondContact O-N 3.24Å; T209-F212 WeakPolarHBondContact O-CB 3.47Å; T209-F212 WeakPolarHBondContact O-CD2 3.44Å; T209-F212 PolarHBondContact O-N 2.92Å; T209-A223 VanDerWaalsContact CB-O 3.23Å; T209-A223 WeakPolarHBondContact CB-O 3.42Å; T209-A223 PolarHBondContact OG1-O 3.17Å; T209-N226 PolarHBondContact OG1-OD1 2.96Å; T209-R227 PolarHBondContact OG1-NH1 3.48Å
210	D	75.5	Confident	78.9	Confident	13 Å²	13	66.1 Å²	66.1	7%	0.07	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-62.6	-20.2	169.8	-51.6	-11.8	0	0	0	112.6	P208 F212 Y213 R224 R227	P208-D210 PolarHBondContact O-N 2.87Å; P208-D210 VanDerWaalsContact O-N 3.1Å; D210-F212 PolarHBondContact O-N 3.11Å; D210-F212 VanDerWaalsContact O-N 3.17Å; D210-Y213 HydrophobicContact CB-CD2 3.65Å; D210-Y213 HydrophobicContact CB-CE2 3.69Å; D210-Y213 WeakPolarHBondContact O-CB 3.21Å; D210-Y213 WeakPolarHBondContact O-CD2 3.43Å; D210-Y213 PolarHBondContact O-N 3.25Å; D210-R224 VanDerWaalsContact CG-CZ 3.46Å; D210-R224 WeakPolarHBondContact OD1-CG 3.24Å; D210-R224 IonicContact OD1-CZ 3.45Å; D210-R224 IonicContact OD1-NE 4Å; D210-R224 IonicContact OD1-NH1 3.92Å; D210-R224 IonicContact OD1-NH2 3.71Å; D210-R224 IonicContact OD2-CZ 2.69Å; D210-R224 IonicContact OD2-NE 2.67Å; D210-R224 IonicContact OD2-NH1 3.17Å; D210-R224 PolarHBondContact OD2-NH1 3.36Å; D210-R224 IonicContact OD2-NH2 2.66Å; D210-R224 PolarHBondContact OD2-NH2 3.03Å; D210-R227 IonicContact OD1-CZ 3.64Å; D210-R227 VanDerWaalsContact OD1-CZ 3.32Å; D210-R227 IonicContact OD1-NH1 3.24Å; D210-R227 PolarHBondContact OD1-NH1 2.92Å; D210-R227 IonicContact OD1-NH2 2.67Å; D210-R227 PolarHBondContact OD1-NH2 3.24Å; D210-R227 IonicContact OD2-CZ 3.44Å; D210-R227 IonicContact OD2-NH2 2.97Å; D210-R227 PolarHBondContact OD2-NH2 3.03Å
211	V	74.1	Confident	78.4	Confident	86 Å²	86	59.6 Å²	59.6	52%	0.521	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-59.3	-25.3	171.4	176.2	0	0	0	0	110.4	P208 T209 Y213 V214	P208-V211 HydrophobicContact CB-CG2 4.13Å; P208-V211 HydrophobicContact CG-CG2 4.48Å; P208-V211 WeakPolarHBondContact O-CB 3.27Å; P208-V211 VanDerWaalsContact O-CG2 3.26Å; P208-V211 WeakPolarHBondContact O-CG2 3.49Å; P208-V211 PolarHBondContact O-N 2.77Å; T209-V211 PolarHBondContact O-N 3.24Å; V211-Y213 PolarHBondContact O-N 3.05Å; V211-V214 WeakPolarHBondContact O-CB 3.19Å; V211-V214 WeakPolarHBondContact O-CG2 3.44Å; V211-V214 PolarHBondContact O-N 3.36Å
212	F	73.7	Confident	78	Confident	120 Å²	120	60.3 Å²	60.3	53%	0.526	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-63.9	-20.1	171.8	-69.4	-70.9	0	0	0	113.5	T209 D210 V214 F215 T216	T209-F212 WeakPolarHBondContact O-CB 3.47Å; T209-F212 WeakPolarHBondContact O-CD2 3.44Å; T209-F212 PolarHBondContact O-N 2.92Å; D210-F212 PolarHBondContact O-N 3.11Å; D210-F212 VanDerWaalsContact O-N 3.17Å; F212-V214 PolarHBondContact O-N 3.35Å; F212-V214 VanDerWaalsContact O-N 3.11Å; F212-F215 PolarHBondContact O-N 3.14Å; F212-T216 PolarHBondContact O-N 2.9Å; F212-T216 PolarHBondContact O-OG1 3.5Å
213	Y	73.5	Confident	77.6	Confident	17 Å²	17	61.1 Å²	61.1	7%	0.067	35%	0.348	C	S	.	.	H	α-helix	trans	-57.1	-26.7	172.6	-71.1	-51.7	0	0	0	112.9	D210 V211 F215 G217 N220	D210-Y213 HydrophobicContact CB-CD2 3.65Å; D210-Y213 HydrophobicContact CB-CE2 3.69Å; D210-Y213 WeakPolarHBondContact O-CB 3.21Å; D210-Y213 WeakPolarHBondContact O-CD2 3.43Å; D210-Y213 PolarHBondContact O-N 3.25Å; V211-Y213 PolarHBondContact O-N 3.05Å; Y213-F215 PolarHBondContact O-N 3.48Å; Y213-G217 WeakPolarHBondContact CD1-O 3.42Å; Y213-G217 CarbonylContact O-C 3.45Å; Y213-G217 WeakPolarHBondContact O-CA 3.39Å; Y213-G217 PolarHBondContact O-N 2.9Å; Y213-N220 VanDerWaalsContact CE1-O 3.24Å; Y213-N220 WeakPolarHBondContact CE1-O 3.48Å
214	V	71.2	Confident	77.5	Confident	120 Å²	120	59.4 Å²	59.4	73%	0.727	34%	0.336	S	S	*	.	H	α-helix	trans	-63.5	-32.4	175.3	-179.3	0	0	0	0	111.2	V211 F212	V211-V214 WeakPolarHBondContact O-CB 3.19Å; V211-V214 WeakPolarHBondContact O-CG2 3.44Å; V211-V214 PolarHBondContact O-N 3.36Å; F212-V214 PolarHBondContact O-N 3.35Å; F212-V214 VanDerWaalsContact O-N 3.11Å
215	F	72.5	Confident	77.3	Confident	168 Å²	168	59.6 Å²	59.6	74%	0.737	34%	0.337	S	S	*	.	H	α-helix	trans	-98.4	-37.9	-177.7	-63.1	-75.1	0	0	0	113.1	F212 Y213	F212-F215 PolarHBondContact O-N 3.14Å; Y213-F215 PolarHBondContact O-N 3.48Å
216	T	68.9	Low	77.3	Confident	68 Å²	68	60.3 Å²	60.3	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-95.4	-6.5	-173.6	60.5	0	0	0	0	113.5	F212 N220	F212-T216 PolarHBondContact O-N 2.9Å; F212-T216 PolarHBondContact O-OG1 3.5Å; T216-N220 PolarHBondContact O-ND2 3.46Å
217	G	70.1	Confident	77.5	Confident	33 Å²	33	58.2 Å²	58.2	34%	0.34	33%	0.33	S	S	.	.			trans	80.9	152.5	-171.2	0	0	0	0	0	112.3	Y213 A219 N220	Y213-G217 WeakPolarHBondContact CD1-O 3.42Å; Y213-G217 CarbonylContact O-C 3.45Å; Y213-G217 WeakPolarHBondContact O-CA 3.39Å; Y213-G217 PolarHBondContact O-N 2.9Å; G217-A219 PolarHBondContact O-N 2.89Å; G217-N220 PolarHBondContact O-N 3.33Å
218	L	69.5	Low	77.5	Confident	95 Å²	95	56.3 Å²	56.3	50%	0.497	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.4	-179	-69.9	131.5	0	0	0	114.1	I99 L103 N220	I99-L218 HydrophobicContact CD1-CB 3.56Å; I99-L218 HydrophobicContact CD1-CD2 4.36Å; I99-L218 HydrophobicContact CD1-CG 4.47Å; L103-L218 HydrophobicContact CD1-CD2 3.93Å; L218-N220 VanDerWaalsContact C-N 3.33Å
219	A	66.4	Low	77.9	Confident	44 Å²	44	57.2 Å²	57.2	36%	0.364	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.1	-177.6	0	0	0	0	0	114.2	G217 P221	G217-A219 PolarHBondContact O-N 2.89Å; A219-P221 VanDerWaalsContact C-CD 3.47Å; A219-P221 WeakPolarHBondContact O-CD 3.45Å
220	N	74.2	Confident	78.3	Confident	70 Å²	70	56 Å²	56	37%	0.374	31%	0.308	S	S	.	.			trans	-113.5	79.2	-177.3	-80	-49	0	0	0	113.8	Y213 T216 G217 L218 T222	Y213-N220 VanDerWaalsContact CE1-O 3.24Å; Y213-N220 WeakPolarHBondContact CE1-O 3.48Å; T216-N220 PolarHBondContact O-ND2 3.46Å; G217-N220 PolarHBondContact O-N 3.33Å; L218-N220 VanDerWaalsContact C-N 3.33Å; N220-T222 PolarHBondContact O-N 3.41Å; N220-T222 VanDerWaalsContact O-N 3.08Å
221	P	77.8	Confident	78.8	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-62.5	-13.6	-179.8	-25.3	36	0	0	0	115.6	R88 Q95 A219 A223 R224	R88-P221 HydrophobicContact CB-CB 4.03Å; R88-P221 HydrophobicContact CB-CG 3.96Å; Q95-P221 HydrophobicContact CB-CG 4.31Å; Q95-P221 HydrophobicContact CG-CG 3.9Å; A219-P221 VanDerWaalsContact C-CD 3.47Å; A219-P221 WeakPolarHBondContact O-CD 3.45Å; P221-A223 PolarHBondContact O-N 3.32Å; P221-A223 VanDerWaalsContact O-N 3.12Å; P221-R224 PolarHBondContact O-N 3.07Å
222	T	80.5	Confident	79.4	Confident	72 Å²	72	58 Å²	58	44%	0.442	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-56.6	-26.9	179.4	52.6	0	0	0	0	113	N220 R224 L225	N220-T222 PolarHBondContact O-N 3.41Å; N220-T222 VanDerWaalsContact O-N 3.08Å; T222-R224 PolarHBondContact O-N 3.08Å; T222-R224 VanDerWaalsContact O-N 3.11Å; T222-L225 WeakPolarHBondContact O-CB 3.33Å; T222-L225 VanDerWaalsContact O-CG 3.3Å; T222-L225 WeakPolarHBondContact O-CG 3.33Å; T222-L225 PolarHBondContact O-N 2.69Å
223	A	80.6	Confident	80	Confident	22 Å²	22	52.5 Å²	52.5	18%	0.182	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-57.5	-25.3	174.9	0	0	0	0	0	113	T209 P221 N226	T209-A223 VanDerWaalsContact CB-O 3.23Å; T209-A223 WeakPolarHBondContact CB-O 3.42Å; T209-A223 PolarHBondContact OG1-O 3.17Å; P221-A223 PolarHBondContact O-N 3.32Å; P221-A223 VanDerWaalsContact O-N 3.12Å; A223-N226 PolarHBondContact O-OD1 3.26Å
224	R	86.9	Confident	80.6	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-85.7	1.1	-178.9	-57.7	-164.3	102	108.3	10.5	115.2	V85 D106 D110 D210 P221 T222 N226 R227	V85-R224 HydrophobicContact CG1-CB 3.92Å; V85-R224 HydrophobicContact CG2-CB 4.07Å; D106-R224 WeakPolarHBondContact OD2-CD 3.43Å; D106-R224 IonicContact OD2-CZ 3.56Å; D106-R224 IonicContact OD2-NE 2.86Å; D106-R224 IonicContact OD2-NH1 2.89Å; D106-R224 PolarHBondContact OD2-NH1 2.84Å; D106-R224 VanDerWaalsContact OD2-NH1 3.09Å; D110-R224 IonicContact OD2-CZ 3.52Å; D110-R224 IonicContact OD2-NH2 2.85Å; D110-R224 PolarHBondContact OD2-NH2 2.91Å; D210-R224 VanDerWaalsContact CG-CZ 3.46Å; D210-R224 WeakPolarHBondContact OD1-CG 3.24Å; D210-R224 IonicContact OD1-CZ 3.45Å; D210-R224 IonicContact OD1-NE 4Å; D210-R224 IonicContact OD1-NH1 3.92Å; D210-R224 IonicContact OD1-NH2 3.71Å; D210-R224 IonicContact OD2-CZ 2.69Å; D210-R224 IonicContact OD2-NE 2.67Å; D210-R224 IonicContact OD2-NH1 3.17Å; D210-R224 PolarHBondContact OD2-NH1 3.36Å; D210-R224 IonicContact OD2-NH2 2.66Å; D210-R224 PolarHBondContact OD2-NH2 3.03Å; P221-R224 PolarHBondContact O-N 3.07Å; T222-R224 PolarHBondContact O-N 3.08Å; T222-R224 VanDerWaalsContact O-N 3.11Å; R224-N226 PolarHBondContact O-N 2.98Å; R224-N226 PolarHBondContact O-OD1 3.24Å; R224-R227 WeakPolarHBondContact O-CB 3.36Å; R224-R227 PolarHBondContact O-N 2.79Å
225	L	86.1	Confident	81.2	Confident	72 Å²	72	51.6 Å²	51.6	38%	0.377	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-59.5	-22.3	-178.7	-73.3	171.9	0	0	0	113.4	V85 V86 T222 R227 L228	V85-L225 HydrophobicContact CG1-CD2 3.97Å; V85-L225 HydrophobicContact CG1-CG 4.36Å; V86-L225 HydrophobicContact CG2-CD2 4.29Å; T222-L225 WeakPolarHBondContact O-CB 3.33Å; T222-L225 VanDerWaalsContact O-CG 3.3Å; T222-L225 WeakPolarHBondContact O-CG 3.33Å; T222-L225 PolarHBondContact O-N 2.69Å; L225-R227 PolarHBondContact O-N 2.9Å; L225-L228 HydrophobicContact CD2-CD1 3.73Å; L225-L228 WeakPolarHBondContact O-CB 3.14Å; L225-L228 VanDerWaalsContact O-CG 3.26Å; L225-L228 WeakPolarHBondContact O-CG 3.3Å; L225-L228 PolarHBondContact O-N 3.32Å
226	N	89	Confident	81.8	Confident	15 Å²	15	44.3 Å²	44.3	8%	0.08	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-59.3	-25.9	174.5	67.4	-45.4	0	0	0	113.4	I204 S205 L207 T209 A223 R224 L228 F229	I204-N226 PolarHBondContact O-ND2 3.4Å; I204-N226 VanDerWaalsContact O-ND2 3.14Å; S205-N226 WeakPolarHBondContact CA-O 3.21Å; L207-N226 PolarHBondContact O-ND2 3.47Å; T209-N226 PolarHBondContact OG1-OD1 2.96Å; A223-N226 PolarHBondContact O-OD1 3.26Å; R224-N226 PolarHBondContact O-N 2.98Å; R224-N226 PolarHBondContact O-OD1 3.24Å; N226-L228 PolarHBondContact O-N 3.07Å; N226-L228 VanDerWaalsContact O-N 3.15Å; N226-F229 VanDerWaalsContact O-CD2 3.28Å; N226-F229 WeakPolarHBondContact O-CD2 3.48Å; N226-F229 PolarHBondContact O-N 3.38Å
227	R	89.9	Confident	82.6	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.008	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-65.5	-19.5	179.6	-80.5	58.6	175.5	-149.2	-9.2	112.8	N81 D110 Y113 S205 T209 D210 R224 L225 F229 K230	N81-R227 HydrophobicContact CB-CB 4.38Å; D110-R227 IonicContact OD1-CZ 3.16Å; D110-R227 IonicContact OD1-NE 3.68Å; D110-R227 PolarHBondContact OD1-NE 2.97Å; D110-R227 VanDerWaalsContact OD1-NE 3.15Å; D110-R227 IonicContact OD1-NH2 3.94Å; D110-R227 IonicContact OD2-CZ 2.83Å; D110-R227 IonicContact OD2-NE 3.82Å; D110-R227 IonicContact OD2-NH2 3.04Å; D110-R227 PolarHBondContact OD2-NH2 3.13Å; Y113-R227 HydrophobicContact CE2-CB 4.13Å; Y113-R227 HydrophobicContact CE2-CG 4.08Å; S205-R227 WeakPolarHBondContact O-CD 3.27Å; T209-R227 PolarHBondContact OG1-NH1 3.48Å; D210-R227 IonicContact OD1-CZ 3.64Å; D210-R227 VanDerWaalsContact OD1-CZ 3.32Å; D210-R227 IonicContact OD1-NH1 3.24Å; D210-R227 PolarHBondContact OD1-NH1 2.92Å; D210-R227 IonicContact OD1-NH2 2.67Å; D210-R227 PolarHBondContact OD1-NH2 3.24Å; D210-R227 IonicContact OD2-CZ 3.44Å; D210-R227 IonicContact OD2-NH2 2.97Å; D210-R227 PolarHBondContact OD2-NH2 3.03Å; R224-R227 WeakPolarHBondContact O-CB 3.36Å; R224-R227 PolarHBondContact O-N 2.79Å; L225-R227 PolarHBondContact O-N 2.9Å; R227-F229 PolarHBondContact O-N 3.43Å; R227-K230 WeakPolarHBondContact O-CB 3.09Å; R227-K230 PolarHBondContact O-N 3.48Å
228	L	86.5	Confident	83.3	Confident	52 Å²	52	42.4 Å²	42.4	27%	0.272	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-66.2	-23.7	177.6	-57.8	176	0	0	0	112.9	V82 L225 N226 K230 F231	V82-L228 VanDerWaalsContact CA-CD2 3.48Å; V82-L228 HydrophobicContact CB-CD2 4.07Å; V82-L228 HydrophobicContact CG2-CD2 3.64Å; L225-L228 HydrophobicContact CD2-CD1 3.73Å; L225-L228 WeakPolarHBondContact O-CB 3.14Å; L225-L228 VanDerWaalsContact O-CG 3.26Å; L225-L228 WeakPolarHBondContact O-CG 3.3Å; L225-L228 PolarHBondContact O-N 3.32Å; N226-L228 PolarHBondContact O-N 3.07Å; N226-L228 VanDerWaalsContact O-N 3.15Å; L228-K230 PolarHBondContact O-N 3.21Å; L228-F231 WeakPolarHBondContact O-CB 3.22Å; L228-F231 PolarHBondContact O-N 3.13Å
229	F	89.2	Confident	83.9	Confident	104 Å²	104	41.4 Å²	41.4	46%	0.456	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-64.1	-12.3	177.4	-72.7	-71.7	0	0	0	113.6	L201 I204 N226 R227 F231 P232	L201-F229 HydrophobicContact CD2-CD1 4.06Å; I204-F229 HydrophobicContact CB-CD2 4.5Å; I204-F229 HydrophobicContact CG2-CB 4.45Å; I204-F229 HydrophobicContact CG2-CD2 3.45Å; I204-F229 VanDerWaalsContact CG2-CD2 3.45Å; I204-F229 HydrophobicContact CG2-CE2 3.85Å; I204-F229 HydrophobicContact CG2-CG 4.01Å; N226-F229 VanDerWaalsContact O-CD2 3.28Å; N226-F229 WeakPolarHBondContact O-CD2 3.48Å; N226-F229 PolarHBondContact O-N 3.38Å; R227-F229 PolarHBondContact O-N 3.43Å; F229-F231 PolarHBondContact O-N 3.28Å; F229-P232 VanDerWaalsContact O-CD 3.28Å; F229-P232 WeakPolarHBondContact O-CD 3.34Å
230	K	88.7	Confident	84.6	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-77	-3.9	173.5	-157	77.9	177.7	-171.3	0	113.5	V78 Y113 D116 D202 S205 R227 L228 P232 I233	V78-K230 HydrophobicContact CG2-CB 4.03Å; V78-K230 HydrophobicContact CG2-CG 3.83Å; Y113-K230 HydrophobicContact CD2-CB 4.43Å; Y113-K230 HydrophobicContact CD2-CD 4.28Å; Y113-K230 HydrophobicContact CD2-CG 4.25Å; Y113-K230 HydrophobicContact CE1-CG 4.13Å; Y113-K230 HydrophobicContact CE2-CB 3.67Å; Y113-K230 HydrophobicContact CE2-CD 4.33Å; Y113-K230 HydrophobicContact CE2-CG 3.84Å; D116-K230 WeakPolarHBondContact OD2-CE 3.33Å; D116-K230 IonicContact OD2-NZ 2.78Å; D116-K230 PolarHBondContact OD2-NZ 3.13Å; D202-K230 VanDerWaalsContact CG-NZ 3.25Å; D202-K230 IonicContact OD1-NZ 3.79Å; D202-K230 IonicContact OD2-NZ 3.66Å; D202-K230 PolarHBondContact OD2-NZ 3.48Å; S205-K230 WeakPolarHBondContact OG-CD 3.41Å; R227-K230 WeakPolarHBondContact O-CB 3.09Å; R227-K230 PolarHBondContact O-N 3.48Å; L228-K230 PolarHBondContact O-N 3.21Å; K230-P232 VanDerWaalsContact C-N 3.3Å; K230-P232 WeakPolarHBondContact O-CD 3.47Å; K230-I233 HydrophobicContact CG-CG2 4.23Å; K230-I233 WeakPolarHBondContact O-CG2 3.25Å; K230-I233 PolarHBondContact O-N 2.87Å
231	F	85.4	Confident	85.2	Confident	88 Å²	88	37.5 Å²	37.5	39%	0.386	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.8	-36.1	179.9	-173	-103.2	0	0	0	116.8	L228 F229 I233 V234 L235	L228-F231 WeakPolarHBondContact O-CB 3.22Å; L228-F231 PolarHBondContact O-N 3.13Å; F229-F231 PolarHBondContact O-N 3.28Å; F231-I233 PolarHBondContact O-N 3.09Å; F231-V234 WeakPolarHBondContact O-CB 3.39Å; F231-V234 PolarHBondContact O-N 3.29Å; F231-L235 HydrophobicContact CD1-CD1 4.22Å; F231-L235 HydrophobicContact CD1-CG 4.27Å; F231-L235 HydrophobicContact CE1-CD1 3.89Å; F231-L235 HydrophobicContact CE1-CD2 3.9Å; F231-L235 HydrophobicContact CE1-CG 3.81Å; F231-L235 HydrophobicContact CZ-CD2 4.17Å; F231-L235 HydrophobicContact CZ-CG 4.43Å
232	P	86.3	Confident	85.5	Confident	54 Å²	54	39.9 Å²	39.9	35%	0.351	21%	0.208	S	C	.	.	H	α-helix	trans	-55.3	-26.6	-180	-28.7	36.7	0	0	0	115.2	L201 F229 K230 V234 L235 E236	L201-P232 HydrophobicContact CD1-CG 4.02Å; F229-P232 VanDerWaalsContact O-CD 3.28Å; F229-P232 WeakPolarHBondContact O-CD 3.34Å; K230-P232 VanDerWaalsContact C-N 3.3Å; K230-P232 WeakPolarHBondContact O-CD 3.47Å; P232-V234 VanDerWaalsContact C-N 3.3Å; P232-V234 PolarHBondContact O-N 2.89Å; P232-L235 PolarHBondContact O-N 3.46Å; P232-E236 PolarHBondContact O-N 3.15Å
233	I	86.9	Confident	85.3	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-31.4	177.6	-162.8	65.9	0	0	0	112.4	T71 V74 V78 K230 F231 L235 E236 F237	T71-I233 HydrophobicContact CG2-CD1 4.15Å; V74-I233 HydrophobicContact CB-CG1 4.35Å; V74-I233 HydrophobicContact CG1-CG1 3.99Å; V74-I233 HydrophobicContact CG1-CG2 3.89Å; V78-I233 HydrophobicContact CB-CG2 4.5Å; V78-I233 HydrophobicContact CG2-CG2 3.54Å; K230-I233 HydrophobicContact CG-CG2 4.23Å; K230-I233 WeakPolarHBondContact O-CG2 3.25Å; K230-I233 PolarHBondContact O-N 2.87Å; F231-I233 PolarHBondContact O-N 3.09Å; I233-L235 VanDerWaalsContact C-N 3.35Å; I233-E236 WeakPolarHBondContact O-CB 3.26Å; I233-E236 PolarHBondContact O-N 3.42Å; I233-F237 WeakPolarHBondContact O-CB 3.27Å; I233-F237 PolarHBondContact O-N 3.24Å
234	V	86.5	Confident	85.4	Confident	30 Å²	30	45 Å²	45	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-40.7	177.6	179	0	0	0	0	109.8	V78 F231 P232 E236 F237 A238	V78-V234 HydrophobicContact CB-CG2 3.68Å; V78-V234 HydrophobicContact CG1-CG2 3.56Å; V78-V234 HydrophobicContact CG2-CG2 4.34Å; F231-V234 WeakPolarHBondContact O-CB 3.39Å; F231-V234 PolarHBondContact O-N 3.29Å; P232-V234 VanDerWaalsContact C-N 3.3Å; P232-V234 PolarHBondContact O-N 2.89Å; V234-E236 VanDerWaalsContact C-N 3.34Å; V234-F237 PolarHBondContact O-N 2.93Å; V234-A238 WeakPolarHBondContact O-CB 3.41Å; V234-A238 PolarHBondContact O-N 3.34Å
235	L	84.4	Confident	85.3	Confident	88 Å²	88	47.2 Å²	47.2	46%	0.461	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-41.7	174	-61.4	178.7	0	0	0	111.2	F231 P232 I233 A238 E239	F231-L235 HydrophobicContact CD1-CD1 4.22Å; F231-L235 HydrophobicContact CD1-CG 4.27Å; F231-L235 HydrophobicContact CE1-CD1 3.89Å; F231-L235 HydrophobicContact CE1-CD2 3.9Å; F231-L235 HydrophobicContact CE1-CG 3.81Å; F231-L235 HydrophobicContact CZ-CD2 4.17Å; F231-L235 HydrophobicContact CZ-CG 4.43Å; P232-L235 PolarHBondContact O-N 3.46Å; I233-L235 VanDerWaalsContact C-N 3.35Å; L235-A238 PolarHBondContact O-N 2.64Å; L235-E239 WeakPolarHBondContact O-CG 3.39Å; L235-E239 PolarHBondContact O-N 3.05Å
236	E	83.3	Confident	85.3	Confident	16 Å²	16	48.7 Å²	48.7	8%	0.075	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-44	175.7	174.1	163.4	179	0	0	112.2	R198 P232 I233 V234 E239 R240	R198-E236 IonicContact CZ-OE2 3.77Å; R198-E236 IonicContact NH1-OE2 2.73Å; R198-E236 PolarHBondContact NH1-OE2 3.37Å; R198-E236 IonicContact NH2-OE2 2.79Å; P232-E236 PolarHBondContact O-N 3.15Å; I233-E236 WeakPolarHBondContact O-CB 3.26Å; I233-E236 PolarHBondContact O-N 3.42Å; V234-E236 VanDerWaalsContact C-N 3.34Å; E236-E239 PolarHBondContact O-N 2.94Å; E236-R240 WeakPolarHBondContact O-CB 3.32Å; E236-R240 WeakPolarHBondContact O-CD 3.36Å; E236-R240 VanDerWaalsContact O-CG 3.24Å; E236-R240 WeakPolarHBondContact O-CG 3.47Å; E236-R240 PolarHBondContact O-N 3.35Å; E236-R240 IonicContact OE1-CZ 3.13Å; E236-R240 IonicContact OE1-NE 2.73Å; E236-R240 PolarHBondContact OE1-NE 3.05Å; E236-R240 IonicContact OE1-NH2 3.28Å; E236-R240 PolarHBondContact OE1-NH2 3.03Å
237	F	87.3	Confident	85.2	Confident	45 Å²	45	57 Å²	57	20%	0.197	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-42.1	174.2	170.1	-108	0	0	0	112	Y68 A72 S75 I233 V234 R240 T241	Y68-F237 HydrophobicContact CE2-CD2 4.34Å; Y68-F237 AromaticContact CE2-CE2 3.95Å; Y68-F237 HydrophobicContact CE2-CE2 3.95Å; A72-F237 HydrophobicContact CB-CD2 3.92Å; A72-F237 HydrophobicContact CB-CE2 3.37Å; A72-F237 HydrophobicContact CB-CZ 3.89Å; S75-F237 WeakPolarHBondContact OG-CB 3.32Å; S75-F237 WeakPolarHBondContact OG-CG 3.49Å; I233-F237 WeakPolarHBondContact O-CB 3.27Å; I233-F237 PolarHBondContact O-N 3.24Å; V234-F237 PolarHBondContact O-N 2.93Å; F237-R240 PolarHBondContact O-N 3.38Å; F237-T241 VanDerWaalsContact CE2-OG1 3.25Å; F237-T241 WeakPolarHBondContact CE2-OG1 3.29Å; F237-T241 WeakPolarHBondContact CZ-OG1 3.34Å; F237-T241 WeakPolarHBondContact O-CB 3.39Å; F237-T241 PolarHBondContact O-N 3.41Å; F237-T241 PolarHBondContact O-OG1 3.28Å
238	A	84.5	Confident	84.9	Confident	16 Å²	16	59.2 Å²	59.2	13%	0.132	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-47.2	177	0	0	0	0	0	111.7	V234 L235 R240 T241 E242 F251 T255	V234-A238 WeakPolarHBondContact O-CB 3.41Å; V234-A238 PolarHBondContact O-N 3.34Å; L235-A238 PolarHBondContact O-N 2.64Å; A238-R240 VanDerWaalsContact C-N 3.32Å; A238-R240 PolarHBondContact O-N 3Å; A238-T241 PolarHBondContact O-N 3.45Å; A238-E242 WeakPolarHBondContact O-CB 3.45Å; A238-E242 PolarHBondContact O-N 2.67Å; A238-F251 HydrophobicContact CB-CE1 4.37Å; A238-F251 WeakPolarHBondContact O-CE1 3.43Å; A238-T255 HydrophobicContact CB-CG2 4.31Å
239	E	82	Confident	84.8	Confident	74 Å²	74	58.8 Å²	58.8	35%	0.346	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-41.8	176.6	-73.1	-175.4	-178.9	0	0	111.5	R131 L235 E236 S243	R131-E239 IonicContact CZ-OE1 3.18Å; R131-E239 IonicContact NH1-OE1 3.04Å; R131-E239 PolarHBondContact NH1-OE1 3.48Å; R131-E239 IonicContact NH1-OE2 2.69Å; R131-E239 IonicContact NH2-OE1 3.48Å; R131-E239 PolarHBondContact NH2-OE1 3.17Å; R131-E239 IonicContact NH2-OE2 3.41Å; R131-E239 PolarHBondContact NH2-OE2 2.62Å; L235-E239 WeakPolarHBondContact O-CG 3.39Å; L235-E239 PolarHBondContact O-N 3.05Å; E236-E239 PolarHBondContact O-N 2.94Å; E239-S243 PolarHBondContact O-N 2.89Å; E239-S243 PolarHBondContact O-OG 3.11Å
240	R	81.2	Confident	84.7	Confident	18 Å²	18	56.4 Å²	56.4	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-68.8	-38	177.4	-71.4	163.2	175.8	-107	3.4	112.6	P62 Y68 E236 F237 A238 S243 R244	P62-R240 PolarHBondContact O-NH1 3.34Å; Y68-R240 HydrophobicContact CD2-CB 4.21Å; Y68-R240 HydrophobicContact CE2-CB 4.48Å; E236-R240 WeakPolarHBondContact O-CB 3.32Å; E236-R240 WeakPolarHBondContact O-CD 3.36Å; E236-R240 VanDerWaalsContact O-CG 3.24Å; E236-R240 WeakPolarHBondContact O-CG 3.47Å; E236-R240 PolarHBondContact O-N 3.35Å; E236-R240 IonicContact OE1-CZ 3.13Å; E236-R240 IonicContact OE1-NE 2.73Å; E236-R240 PolarHBondContact OE1-NE 3.05Å; E236-R240 IonicContact OE1-NH2 3.28Å; E236-R240 PolarHBondContact OE1-NH2 3.03Å; F237-R240 PolarHBondContact O-N 3.38Å; A238-R240 VanDerWaalsContact C-N 3.32Å; A238-R240 PolarHBondContact O-N 3Å; R240-S243 PolarHBondContact O-OG 3.35Å; R240-R244 WeakPolarHBondContact O-CG 3.41Å; R240-R244 PolarHBondContact O-N 3.42Å
241	T	86.8	Confident	84.7	Confident	13 Å²	13	58.2 Å²	58.2	8%	0.08	31%	0.309	C	S	.	.	H	α-helix	trans	-71.2	-38.6	178.4	-55	0	0	0	0	110.8	Y68 F237 A238 S243 R244 T245 F251	Y68-T241 PolarHBondContact OH-OG1 3.5Å; F237-T241 VanDerWaalsContact CE2-OG1 3.25Å; F237-T241 WeakPolarHBondContact CE2-OG1 3.29Å; F237-T241 WeakPolarHBondContact CZ-OG1 3.34Å; F237-T241 WeakPolarHBondContact O-CB 3.39Å; F237-T241 PolarHBondContact O-N 3.41Å; F237-T241 PolarHBondContact O-OG1 3.28Å; A238-T241 PolarHBondContact O-N 3.45Å; T241-S243 VanDerWaalsContact C-N 3.32Å; T241-S243 PolarHBondContact O-N 2.89Å; T241-R244 PolarHBondContact O-N 3.2Å; T241-T245 WeakPolarHBondContact O-CB 3.44Å; T241-T245 WeakPolarHBondContact O-CG2 3.42Å; T241-T245 PolarHBondContact O-N 3.01Å; T241-F251 VanDerWaalsContact CB-CZ 3.46Å; T241-F251 HydrophobicContact CG2-CD1 4.42Å; T241-F251 HydrophobicContact CG2-CD2 3.84Å; T241-F251 HydrophobicContact CG2-CE1 3.99Å; T241-F251 HydrophobicContact CG2-CE2 3.34Å; T241-F251 HydrophobicContact CG2-CG 4.35Å; T241-F251 HydrophobicContact CG2-CZ 3.43Å; T241-F251 VanDerWaalsContact CG2-CZ 3.43Å
242	E	83.1	Confident	84.6	Confident	52 Å²	52	58.8 Å²	58.8	24%	0.243	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-38.8	176.1	-173.3	176.7	-175.4	0	0	112.4	A238 T245 P248 F251 R252	A238-E242 WeakPolarHBondContact O-CB 3.45Å; A238-E242 PolarHBondContact O-N 2.67Å; E242-T245 WeakPolarHBondContact O-CG2 3.42Å; E242-P248 HydrophobicContact CG-CB 4.14Å; E242-F251 HydrophobicContact CB-CD1 3.97Å; E242-F251 HydrophobicContact CB-CE1 4.29Å; E242-R252 IonicContact OE1-CZ 2.63Å; E242-R252 IonicContact OE1-NE 3.71Å; E242-R252 PolarHBondContact OE1-NE 2.97Å; E242-R252 IonicContact OE1-NH2 2.79Å; E242-R252 PolarHBondContact OE1-NH2 3.32Å
243	S	77.8	Confident	84.6	Confident	98 Å²	98	59.3 Å²	59.3	69%	0.685	31%	0.308	S	S	*	.	H	α-helix	trans	-76.2	-25.2	177.2	55.8	0	0	0	0	114.2	E239 R240 T241	E239-S243 PolarHBondContact O-N 2.89Å; E239-S243 PolarHBondContact O-OG 3.11Å; R240-S243 PolarHBondContact O-OG 3.35Å; T241-S243 VanDerWaalsContact C-N 3.32Å; T241-S243 PolarHBondContact O-N 2.89Å
244	R	81.7	Confident	84.8	Confident	103 Å²	103	65.4 Å²	65.4	39%	0.389	34%	0.335	S	S	.	.	H	α-helix	trans	-90.4	-26.1	180	-73	-178.8	174.7	-140.1	-6.5	113.8	Y63 N65 R240 T241	Y63-R244 PolarHBondContact O-NH2 3.48Å; N65-R244 PolarHBondContact OD1-NH1 3.45Å; N65-R244 PolarHBondContact OD1-NH2 3.17Å; R240-R244 WeakPolarHBondContact O-CG 3.41Å; R240-R244 PolarHBondContact O-N 3.42Å; T241-R244 PolarHBondContact O-N 3.2Å
245	T	84.6	Confident	84.8	Confident	48 Å²	48	65.8 Å²	65.8	29%	0.294	34%	0.338	S	S	.	.			trans	-71.5	142.8	-179	-172.8	0	0	0	0	111	T241 E242 W247 P248 F251	T241-T245 WeakPolarHBondContact O-CB 3.44Å; T241-T245 WeakPolarHBondContact O-CG2 3.42Å; T241-T245 PolarHBondContact O-N 3.01Å; E242-T245 WeakPolarHBondContact O-CG2 3.42Å; T245-W247 PolarHBondContact O-N 3.16Å; T245-W247 PolarHBondContact OG1-N 2.99Å; T245-P248 HydrophobicContact CG2-CB 4.34Å; T245-F251 HydrophobicContact CG2-CB 3.95Å; T245-F251 HydrophobicContact CG2-CG 4.46Å
246	S	87.1	Confident	84.9	Confident	102 Å²	102	63 Å²	63	71%	0.713	32%	0.323	S	S	*	.	S	Bend	trans	-69.3	-19.4	170.4	52.9	0	0	0	0	112	P248	S246-P248 VanDerWaalsContact C-CD 3.43Å; S246-P248 VanDerWaalsContact O-CD 3.29Å; S246-P248 WeakPolarHBondContact O-CD 3.41Å
247	W	85.4	Confident	85.2	Confident	190 Å²	190	66 Å²	66	72%	0.72	34%	0.339	S	S	*	.			trans	-120.6	67.8	-174.7	-58.4	-6	0	0	0	111.9	T245 N249 A250 F251	T245-W247 PolarHBondContact O-N 3.16Å; T245-W247 PolarHBondContact OG1-N 2.99Å; W247-N249 VanDerWaalsContact C-N 3.31Å; W247-N249 PolarHBondContact O-N 3.25Å; W247-A250 HydrophobicContact CB-CB 4.14Å; W247-A250 PolarHBondContact O-N 3.46Å; W247-F251 PolarHBondContact O-N 3.31Å; W247-F251 VanDerWaalsContact O-N 3.16Å
248	P	85.3	Confident	85.2	Confident	48 Å²	48	65.8 Å²	65.8	31%	0.312	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-37.5	-173	22.6	-34	0	0	0	113.1	E242 T245 S246 F251 R252	E242-P248 HydrophobicContact CG-CB 4.14Å; T245-P248 HydrophobicContact CG2-CB 4.34Å; S246-P248 VanDerWaalsContact C-CD 3.43Å; S246-P248 VanDerWaalsContact O-CD 3.29Å; S246-P248 WeakPolarHBondContact O-CD 3.41Å; P248-F251 PolarHBondContact O-N 3.22Å; P248-R252 WeakPolarHBondContact O-CB 3.49Å; P248-R252 PolarHBondContact O-N 3.37Å
249	N	84.1	Confident	85.4	Confident	44 Å²	44	67.8 Å²	67.8	24%	0.235	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-42.5	179.2	-65.1	-45.1	0	0	0	112.3	W247 R252 L253 M350 M354	W247-N249 VanDerWaalsContact C-N 3.31Å; W247-N249 PolarHBondContact O-N 3.25Å; N249-R252 PolarHBondContact O-N 2.99Å; N249-L253 PolarHBondContact O-N 2.9Å; N249-M350 HydrophobicContact CB-CG 3.98Å; N249-M350 HydrophobicContact CB-SD 4.16Å; N249-M354 HydrophobicContact CB-CG 3.87Å; N249-M354 HydrophobicContact CB-SD 3.83Å; N249-M354 VanDerWaalsContact ND2-CG 3.27Å; N249-M354 WeakPolarHBondContact ND2-CG 3.03Å
250	A	86.4	Confident	85.7	Confident	53 Å²	53	66.1 Å²	66.1	44%	0.438	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-41.9	178.3	0	0	0	0	0	111.6	W247 L253 F254	W247-A250 HydrophobicContact CB-CB 4.14Å; W247-A250 PolarHBondContact O-N 3.46Å; A250-L253 PolarHBondContact O-N 3.44Å; A250-F254 PolarHBondContact O-N 3.22Å
251	F	88.6	Confident	86.3	Confident	40 Å²	40	69.7 Å²	69.7	18%	0.175	37%	0.368	C	S	.	.	H	α-helix	trans	-64.7	-40.6	175.8	-177.5	-98.4	0	0	0	112.3	A238 T241 E242 T245 W247 P248 L253 F254 T255	A238-F251 HydrophobicContact CB-CE1 4.37Å; A238-F251 WeakPolarHBondContact O-CE1 3.43Å; T241-F251 VanDerWaalsContact CB-CZ 3.46Å; T241-F251 HydrophobicContact CG2-CD1 4.42Å; T241-F251 HydrophobicContact CG2-CD2 3.84Å; T241-F251 HydrophobicContact CG2-CE1 3.99Å; T241-F251 HydrophobicContact CG2-CE2 3.34Å; T241-F251 HydrophobicContact CG2-CG 4.35Å; T241-F251 HydrophobicContact CG2-CZ 3.43Å; T241-F251 VanDerWaalsContact CG2-CZ 3.43Å; E242-F251 HydrophobicContact CB-CD1 3.97Å; E242-F251 HydrophobicContact CB-CE1 4.29Å; T245-F251 HydrophobicContact CG2-CB 3.95Å; T245-F251 HydrophobicContact CG2-CG 4.46Å; W247-F251 PolarHBondContact O-N 3.31Å; W247-F251 VanDerWaalsContact O-N 3.16Å; P248-F251 PolarHBondContact O-N 3.22Å; F251-L253 VanDerWaalsContact C-N 3.32Å; F251-L253 PolarHBondContact O-N 3.16Å; F251-F254 PolarHBondContact O-N 3.23Å; F251-T255 WeakPolarHBondContact CE1-OG1 3.37Å; F251-T255 WeakPolarHBondContact O-CB 3.26Å; F251-T255 PolarHBondContact O-N 3.49Å; F251-T255 PolarHBondContact O-OG1 3.32Å
252	R	84	Confident	86.5	Confident	100 Å²	100	70.8 Å²	70.8	38%	0.377	38%	0.375	S	S	.	.	H	α-helix	trans	-61.8	-40.9	175.1	-171.1	-176	-59.3	170.6	1.2	111.4	E242 P248 N249 T255 L256 M350	E242-R252 IonicContact OE1-CZ 2.63Å; E242-R252 IonicContact OE1-NE 3.71Å; E242-R252 PolarHBondContact OE1-NE 2.97Å; E242-R252 IonicContact OE1-NH2 2.79Å; E242-R252 PolarHBondContact OE1-NH2 3.32Å; P248-R252 WeakPolarHBondContact O-CB 3.49Å; P248-R252 PolarHBondContact O-N 3.37Å; N249-R252 PolarHBondContact O-N 2.99Å; R252-T255 PolarHBondContact O-N 3.28Å; R252-L256 WeakPolarHBondContact O-CB 3.23Å; R252-L256 PolarHBondContact O-N 3.4Å; R252-M350 HydrophobicContact CB-CE 3.76Å; R252-M350 HydrophobicContact CG-CE 3.75Å
253	L	86.5	Confident	86.9	Confident	64 Å²	64	71.3 Å²	71.3	34%	0.335	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-47.8	175.5	-179.3	63.3	0	0	0	111.3	N249 A250 F251 T255 L256 I257 I347 M350	N249-L253 PolarHBondContact O-N 2.9Å; A250-L253 PolarHBondContact O-N 3.44Å; F251-L253 VanDerWaalsContact C-N 3.32Å; F251-L253 PolarHBondContact O-N 3.16Å; L253-T255 PolarHBondContact O-N 2.9Å; L253-L256 HydrophobicContact CD1-CD2 4.45Å; L253-L256 PolarHBondContact O-N 3.41Å; L253-I257 HydrophobicContact CD1-CD1 4.08Å; L253-I257 HydrophobicContact CD1-CG1 4.39Å; L253-I257 HydrophobicContact CG-CD1 3.92Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 3.37Å; L253-I347 HydrophobicContact CD1-CG1 4.33Å; L253-M350 HydrophobicContact CB-CE 4.03Å; L253-M350 HydrophobicContact CB-SD 3.98Å
254	F	89.4	Confident	87.7	Confident	131 Å²	131	67.3 Å²	67.3	58%	0.575	35%	0.349	S	S	*	.	H	α-helix	trans	-59.6	-44.8	177.5	174.9	-96.7	0	0	0	112.6	A250 F251 L256 I257 S258	A250-F254 PolarHBondContact O-N 3.22Å; F251-F254 PolarHBondContact O-N 3.23Å; F254-L256 VanDerWaalsContact C-N 3.32Å; F254-L256 PolarHBondContact O-N 3.11Å; F254-I257 PolarHBondContact O-N 2.95Å; F254-S258 WeakPolarHBondContact O-CB 3.17Å; F254-S258 PolarHBondContact O-N 2.82Å; F254-S258 PolarHBondContact O-OG 3.16Å
255	T	86.9	Confident	88.4	Confident	39 Å²	39	62.8 Å²	62.8	24%	0.239	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-44.6	177.7	-57.2	0	0	0	0	110.7	A238 F251 R252 L253 S258 C259	A238-T255 HydrophobicContact CB-CG2 4.31Å; F251-T255 WeakPolarHBondContact CE1-OG1 3.37Å; F251-T255 WeakPolarHBondContact O-CB 3.26Å; F251-T255 PolarHBondContact O-N 3.49Å; F251-T255 PolarHBondContact O-OG1 3.32Å; R252-T255 PolarHBondContact O-N 3.28Å; L253-T255 PolarHBondContact O-N 2.9Å; T255-S258 PolarHBondContact O-N 3.29Å; T255-C259 PolarHBondContact O-N 2.82Å; T255-C259 PolarHBondContact O-SG 3.41Å; T255-C259 VanDerWaalsContact O-SG 3.32Å
256	L	86.9	Confident	88.8	Confident	28 Å²	28	63.5 Å²	63.5	15%	0.147	33%	0.334	C	S	.	.	H	α-helix	trans	-68.1	-39.9	179.6	163.6	152.5	0	0	0	112.4	R252 L253 F254 S258 C259 I260 L343 N346 I347	R252-L256 WeakPolarHBondContact O-CB 3.23Å; R252-L256 PolarHBondContact O-N 3.4Å; L253-L256 HydrophobicContact CD1-CD2 4.45Å; L253-L256 PolarHBondContact O-N 3.41Å; F254-L256 VanDerWaalsContact C-N 3.32Å; F254-L256 PolarHBondContact O-N 3.11Å; L256-S258 VanDerWaalsContact C-N 3.33Å; L256-S258 PolarHBondContact O-N 3.28Å; L256-C259 PolarHBondContact O-N 3.11Å; L256-I260 HydrophobicContact CD2-CD1 4.11Å; L256-I260 WeakPolarHBondContact O-CG1 3.36Å; L256-I260 PolarHBondContact O-N 3.25Å; L256-I260 VanDerWaalsContact O-N 3.11Å; L256-L343 HydrophobicContact CD1-CD1 3.82Å; L256-L343 HydrophobicContact CD2-CD1 3.11Å; L256-L343 HydrophobicContact CG-CD1 3.7Å; L256-N346 HydrophobicContact CD1-CB 3.69Å; L256-I347 HydrophobicContact CD2-CD1 4.41Å; L256-I347 HydrophobicContact CD2-CG1 4.35Å
257	I	88.9	Confident	89.2	Confident	80 Å²	80	59.2 Å²	59.2	41%	0.41	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-42.9	171.6	-68.1	168.7	0	0	0	110.9	L253 F254 C259 I260 L261	L253-I257 HydrophobicContact CD1-CD1 4.08Å; L253-I257 HydrophobicContact CD1-CG1 4.39Å; L253-I257 HydrophobicContact CG-CD1 3.92Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 3.37Å; F254-I257 PolarHBondContact O-N 2.95Å; I257-C259 PolarHBondContact O-N 3.18Å; I257-I260 WeakPolarHBondContact O-CB 3.36Å; I257-I260 PolarHBondContact O-N 3.49Å; I257-L261 HydrophobicContact CG2-CD1 4.28Å; I257-L261 WeakPolarHBondContact O-CG 3.34Å; I257-L261 PolarHBondContact O-N 2.96Å
258	S	88.6	Confident	89.7	Confident	40 Å²	40	50.2 Å²	50.2	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-41.1	178.4	-57.6	0	0	0	0	111.9	F254 T255 L256 I260 L261 V262	F254-S258 WeakPolarHBondContact O-CB 3.17Å; F254-S258 PolarHBondContact O-N 2.82Å; F254-S258 PolarHBondContact O-OG 3.16Å; T255-S258 PolarHBondContact O-N 3.29Å; L256-S258 VanDerWaalsContact C-N 3.33Å; L256-S258 PolarHBondContact O-N 3.28Å; S258-I260 VanDerWaalsContact C-N 3.33Å; S258-I260 PolarHBondContact O-N 3.43Å; S258-L261 PolarHBondContact O-N 2.91Å; S258-V262 WeakPolarHBondContact O-CG2 3.47Å; S258-V262 PolarHBondContact O-N 3.41Å
259	C	88.1	Confident	90.1	Very high	58 Å²	58	48 Å²	48	39%	0.392	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-41.3	173.4	-71.6	0	0	0	0	112.1	T255 L256 I257 V262 I263	T255-C259 PolarHBondContact O-N 2.82Å; T255-C259 PolarHBondContact O-SG 3.41Å; T255-C259 VanDerWaalsContact O-SG 3.32Å; L256-C259 PolarHBondContact O-N 3.11Å; I257-C259 PolarHBondContact O-N 3.18Å; C259-V262 PolarHBondContact O-N 3.45Å; C259-I263 VanDerWaalsContact O-CG1 3.29Å; C259-I263 WeakPolarHBondContact O-CG1 3.36Å; C259-I263 PolarHBondContact O-N 3.42Å
260	I	89.3	Confident	90.6	Very high	40 Å²	40	50 Å²	50	21%	0.205	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-47.3	176.8	-64.9	160.6	0	0	0	110.8	L256 I257 S258 V262 I263 I264 L343	L256-I260 HydrophobicContact CD2-CD1 4.11Å; L256-I260 WeakPolarHBondContact O-CG1 3.36Å; L256-I260 PolarHBondContact O-N 3.25Å; L256-I260 VanDerWaalsContact O-N 3.11Å; I257-I260 WeakPolarHBondContact O-CB 3.36Å; I257-I260 PolarHBondContact O-N 3.49Å; S258-I260 VanDerWaalsContact C-N 3.33Å; S258-I260 PolarHBondContact O-N 3.43Å; I260-V262 VanDerWaalsContact C-N 3.25Å; I260-V262 PolarHBondContact O-N 2.82Å; I260-I263 PolarHBondContact O-N 3.46Å; I260-I263 VanDerWaalsContact O-N 3.07Å; I260-I264 HydrophobicContact CG2-CD1 3.64Å; I260-I264 HydrophobicContact CG2-CG1 4.12Å; I260-I264 WeakPolarHBondContact O-CG1 3.18Å; I260-I264 PolarHBondContact O-N 3.4Å; I260-L343 HydrophobicContact CD1-CD1 3.53Å; I260-L343 HydrophobicContact CD1-CD2 3.46Å; I260-L343 VanDerWaalsContact CD1-CD2 3.46Å; I260-L343 HydrophobicContact CD1-CG 4.07Å; I260-L343 HydrophobicContact CG1-CD2 4.4Å
261	L	92.4	Very high	91	Very high	92 Å²	92	47.5 Å²	47.5	48%	0.482	25%	0.245	S	C	.	.	H	α-helix	trans	-59.6	-38.8	179.6	-69.2	173.8	0	0	0	111.7	I257 S258 H265 F304	I257-L261 HydrophobicContact CG2-CD1 4.28Å; I257-L261 WeakPolarHBondContact O-CG 3.34Å; I257-L261 PolarHBondContact O-N 2.96Å; S258-L261 PolarHBondContact O-N 2.91Å; L261-H265 VanDerWaalsContact O-CB 3.26Å; L261-H265 WeakPolarHBondContact O-CB 3.31Å; L261-H265 PolarHBondContact O-N 2.9Å; L261-F304 HydrophobicContact CD2-CZ 4.34Å
262	V	91.7	Very high	91.3	Very high	37 Å²	37	45.9 Å²	45.9	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-43.5	173.8	172.5	0	0	0	0	111.2	V82 S258 C259 I260 H265 L266	V82-V262 HydrophobicContact CG1-CG1 3.64Å; S258-V262 WeakPolarHBondContact O-CG2 3.47Å; S258-V262 PolarHBondContact O-N 3.41Å; C259-V262 PolarHBondContact O-N 3.45Å; I260-V262 VanDerWaalsContact C-N 3.25Å; I260-V262 PolarHBondContact O-N 2.82Å; V262-H265 WeakPolarHBondContact O-CB 3.44Å; V262-H265 PolarHBondContact O-N 3.43Å; V262-L266 HydrophobicContact CG1-CD1 4.12Å; V262-L266 HydrophobicContact CG1-CG 4.34Å; V262-L266 VanDerWaalsContact O-CG 3.27Å; V262-L266 WeakPolarHBondContact O-CG 3.41Å; V262-L266 PolarHBondContact O-N 2.83Å
263	I	92.3	Very high	91.7	Very high	63 Å²	63	42.7 Å²	42.7	32%	0.323	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-45.6	178.1	-66.3	163.2	0	0	0	111.4	C259 I260 H265 L266 N267 L311 I339	C259-I263 VanDerWaalsContact O-CG1 3.29Å; C259-I263 WeakPolarHBondContact O-CG1 3.36Å; C259-I263 PolarHBondContact O-N 3.42Å; I260-I263 PolarHBondContact O-N 3.46Å; I260-I263 VanDerWaalsContact O-N 3.07Å; I263-H265 VanDerWaalsContact C-N 3.27Å; I263-H265 PolarHBondContact O-N 2.95Å; I263-L266 PolarHBondContact O-N 3.22Å; I263-N267 WeakPolarHBondContact O-CB 3.34Å; I263-N267 PolarHBondContact O-N 2.91Å; I263-L311 HydrophobicContact CG2-CD1 4.1Å; I263-I339 HydrophobicContact CG2-CD1 3.92Å
264	I	94.5	Very high	92	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.072	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-42.8	176.3	-66.7	172.4	0	0	0	110.1	I260 N267 A268 F304 S307 T308 L311	I260-I264 HydrophobicContact CG2-CD1 3.64Å; I260-I264 HydrophobicContact CG2-CG1 4.12Å; I260-I264 WeakPolarHBondContact O-CG1 3.18Å; I260-I264 PolarHBondContact O-N 3.4Å; I264-N267 PolarHBondContact O-N 2.92Å; I264-A268 VanDerWaalsContact O-CB 3.24Å; I264-A268 WeakPolarHBondContact O-CB 3.15Å; I264-A268 PolarHBondContact O-N 2.8Å; I264-F304 HydrophobicContact CB-CE2 4.16Å; I264-F304 HydrophobicContact CB-CZ 4.21Å; I264-F304 HydrophobicContact CG2-CD1 4.2Å; I264-F304 HydrophobicContact CG2-CD2 3.85Å; I264-F304 HydrophobicContact CG2-CE1 3.88Å; I264-F304 HydrophobicContact CG2-CE2 3.51Å; I264-F304 HydrophobicContact CG2-CG 4.19Å; I264-F304 HydrophobicContact CG2-CZ 3.52Å; I264-S307 PolarHBondContact O-OG 3.01Å; I264-T308 WeakPolarHBondContact CG2-OG1 3.45Å; I264-L311 HydrophobicContact CG1-CD1 3.98Å
265	H	95.2	Very high	92.2	Very high	7 Å²	7	35 Å²	35	3%	0.032	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-48	175.3	169.9	78.6	0	0	0	112.3	I83 L261 V262 I263 N267 A268 C269 Y300 F304	I83-H265 PolarHBondContact O-NE2 3.46Å; I83-H265 VanDerWaalsContact O-NE2 3.11Å; L261-H265 VanDerWaalsContact O-CB 3.26Å; L261-H265 WeakPolarHBondContact O-CB 3.31Å; L261-H265 PolarHBondContact O-N 2.9Å; V262-H265 WeakPolarHBondContact O-CB 3.44Å; V262-H265 PolarHBondContact O-N 3.43Å; I263-H265 VanDerWaalsContact C-N 3.27Å; I263-H265 PolarHBondContact O-N 2.95Å; H265-N267 VanDerWaalsContact C-N 3.34Å; H265-N267 PolarHBondContact O-N 2.79Å; H265-A268 WeakPolarHBondContact O-CB 3.42Å; H265-A268 PolarHBondContact O-N 3.15Å; H265-C269 PolarHBondContact O-N 3.34Å; H265-C269 PolarHBondContact O-SG 2.94Å; H265-C269 VanDerWaalsContact O-SG 3.32Å; H265-Y300 AromaticContact CE1-CE2 3.93Å; H265-Y300 AromaticContact ND1-CE2 3.57Å; H265-Y300 AromaticContact ND1-CZ 3.72Å; H265-Y300 PolarHBondContact ND1-OH 2.87Å; H265-F304 HydrophobicContact CB-CE2 4.4Å
266	L	94.1	Very high	92.4	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.335	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-42.2	178.2	-68.2	176.4	0	0	0	111.6	V86 V262 I263 C269 L270	V86-L266 HydrophobicContact CB-CD2 3.93Å; V86-L266 HydrophobicContact CG1-CD2 3.87Å; V86-L266 HydrophobicContact CG2-CD2 3.63Å; V262-L266 HydrophobicContact CG1-CD1 4.12Å; V262-L266 HydrophobicContact CG1-CG 4.34Å; V262-L266 VanDerWaalsContact O-CG 3.27Å; V262-L266 WeakPolarHBondContact O-CG 3.41Å; V262-L266 PolarHBondContact O-N 2.83Å; I263-L266 PolarHBondContact O-N 3.22Å; L266-C269 PolarHBondContact O-N 3.48Å; L266-L270 WeakPolarHBondContact O-CB 3.31Å; L266-L270 PolarHBondContact O-N 2.91Å
267	N	94.6	Very high	92.7	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	24%	0.236	C	C	.	.	H	α-helix	trans	-69.9	-34	177.5	-170.6	48.7	0	0	0	112.5	I263 I264 H265 L270 Y271 S307 L311 D332	I263-N267 WeakPolarHBondContact O-CB 3.34Å; I263-N267 PolarHBondContact O-N 2.91Å; I264-N267 PolarHBondContact O-N 2.92Å; H265-N267 VanDerWaalsContact C-N 3.34Å; H265-N267 PolarHBondContact O-N 2.79Å; N267-L270 PolarHBondContact O-N 2.86Å; N267-Y271 WeakPolarHBondContact O-CB 3.37Å; N267-Y271 PolarHBondContact O-N 2.87Å; N267-S307 WeakPolarHBondContact CB-OG 3.21Å; N267-S307 PolarHBondContact ND2-OG 3.5Å; N267-L311 HydrophobicContact CB-CD1 3.88Å; N267-D332 PolarHBondContact ND2-OD1 3.44Å; N267-D332 VanDerWaalsContact ND2-OD1 3.16Å; N267-D332 PolarHBondContact ND2-OD2 2.95Å; N267-D332 PolarHBondContact OD1-OD1 3.44Å
268	A	95.7	Very high	92.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-44.9	173.5	0	0	0	0	0	111.9	I264 H265 L270 Y271 F272 S303 F304 S307	I264-A268 VanDerWaalsContact O-CB 3.24Å; I264-A268 WeakPolarHBondContact O-CB 3.15Å; I264-A268 PolarHBondContact O-N 2.8Å; H265-A268 WeakPolarHBondContact O-CB 3.42Å; H265-A268 PolarHBondContact O-N 3.15Å; A268-L270 VanDerWaalsContact C-N 3.32Å; A268-Y271 PolarHBondContact O-N 3.35Å; A268-F272 PolarHBondContact O-N 2.99Å; A268-F272 VanDerWaalsContact O-N 3.09Å; A268-S303 WeakPolarHBondContact CB-O 3.43Å; A268-S303 WeakPolarHBondContact O-CB 3.31Å; A268-F304 HydrophobicContact CB-CB 4.27Å; A268-F304 HydrophobicContact CB-CD2 4.4Å; A268-S307 PolarHBondContact N-OG 3.44Å
269	C	94.2	Very high	92.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-39.3	174.2	-66.6	0	0	0	0	111.3	V86 V90 H265 L266 F272 A273	V86-C269 HydrophobicContact CG1-CB 3.64Å; V90-C269 HydrophobicContact CG2-CB 4.17Å; H265-C269 PolarHBondContact O-N 3.34Å; H265-C269 PolarHBondContact O-SG 2.94Å; H265-C269 VanDerWaalsContact O-SG 3.32Å; L266-C269 PolarHBondContact O-N 3.48Å; C269-F272 PolarHBondContact O-N 3.28Å; C269-A273 WeakPolarHBondContact O-CB 3.4Å; C269-A273 PolarHBondContact O-N 3.27Å
270	L	94.1	Very high	93	Very high	88 Å²	88	37 Å²	37	46%	0.461	22%	0.217	S	C	.	.	H	α-helix	trans	-64.2	-45.7	176.4	-176.4	62	0	0	0	112.1	L266 N267 A268 F272 A273 V274 F328	L266-L270 WeakPolarHBondContact O-CB 3.31Å; L266-L270 PolarHBondContact O-N 2.91Å; N267-L270 PolarHBondContact O-N 2.86Å; A268-L270 VanDerWaalsContact C-N 3.32Å; L270-F272 PolarHBondContact O-N 3.07Å; L270-A273 PolarHBondContact O-N 3.48Å; L270-V274 HydrophobicContact CD1-CG2 4.47Å; L270-V274 WeakPolarHBondContact O-CG2 3.49Å; L270-V274 PolarHBondContact O-N 3.39Å; L270-F328 HydrophobicContact CD2-CE2 3.73Å; L270-F328 HydrophobicContact CD2-CZ 4.19Å; L270-F328 HydrophobicContact CG-CE2 3.75Å; L270-F328 HydrophobicContact CG-CZ 4.06Å
271	Y	95.2	Very high	92.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.2	-46.1	176	166.3	-103.3	0	0	0	112	N267 A268 V274 S275 W285 Y302 W306 F328	N267-Y271 WeakPolarHBondContact O-CB 3.37Å; N267-Y271 PolarHBondContact O-N 2.87Å; A268-Y271 PolarHBondContact O-N 3.35Å; Y271-V274 PolarHBondContact O-N 3.38Å; Y271-S275 WeakPolarHBondContact O-CB 3.41Å; Y271-S275 PolarHBondContact O-N 3.09Å; Y271-S275 PolarHBondContact O-OG 2.93Å; Y271-W285 AromaticContact CD2-CH2 3.73Å; Y271-W285 HydrophobicContact CD2-CH2 3.73Å; Y271-W285 AromaticContact CD2-CZ2 3.75Å; Y271-W285 HydrophobicContact CD2-CZ2 3.75Å; Y271-W285 HydrophobicContact CD2-CZ3 4.42Å; Y271-W285 HydrophobicContact CE2-CD2 4.28Å; Y271-W285 AromaticContact CE2-CE2 3.93Å; Y271-W285 HydrophobicContact CE2-CE3 4.35Å; Y271-W285 AromaticContact CE2-CH2 3.77Å; Y271-W285 HydrophobicContact CE2-CH2 3.77Å; Y271-W285 AromaticContact CE2-CZ2 3.66Å; Y271-W285 HydrophobicContact CE2-CZ2 3.66Å; Y271-W285 HydrophobicContact CE2-CZ3 4.11Å; Y271-W285 PolarHBondContact OH-O 2.94Å; Y271-Y302 HydrophobicContact CE1-CD1 4.29Å; Y271-Y302 HydrophobicContact CE1-CE1 4.12Å; Y271-W306 HydrophobicContact CD1-CB 4.37Å; Y271-W306 HydrophobicContact CD1-CD2 4.2Å; Y271-W306 HydrophobicContact CD1-CE3 4.15Å; Y271-W306 HydrophobicContact CD1-CG 4.28Å; Y271-W306 AromaticContact CD2-CD2 3.55Å; Y271-W306 HydrophobicContact CD2-CD2 3.55Å; Y271-W306 AromaticContact CD2-CE2 3.66Å; Y271-W306 AromaticContact CD2-CE3 3.52Å; Y271-W306 HydrophobicContact CD2-CE3 3.52Å; Y271-W306 HydrophobicContact CD2-CG 4.27Å; Y271-W306 AromaticContact CD2-CH2 3.86Å; Y271-W306 HydrophobicContact CD2-CH2 3.86Å; Y271-W306 AromaticContact CD2-CZ2 3.84Å; Y271-W306 HydrophobicContact CD2-CZ2 3.84Å; Y271-W306 AromaticContact CD2-CZ3 3.7Å; Y271-W306 HydrophobicContact CD2-CZ3 3.7Å; Y271-W306 HydrophobicContact CE1-CB 4.16Å; Y271-W306 HydrophobicContact CE1-CD2 4.28Å; Y271-W306 HydrophobicContact CE1-CG 4.02Å; Y271-W306 AromaticContact CE2-CD1 3.99Å; Y271-W306 AromaticContact CE2-CD2 3.68Å; Y271-W306 HydrophobicContact CE2-CD2 3.68Å; Y271-W306 AromaticContact CE2-CE2 3.53Å; Y271-W306 HydrophobicContact CE2-CE3 4.16Å; Y271-W306 HydrophobicContact CE2-CG 4.03Å; Y271-W306 HydrophobicContact CE2-CH2 4.47Å; Y271-W306 AromaticContact CE2-CZ2 3.98Å; Y271-W306 HydrophobicContact CE2-CZ2 3.98Å; Y271-W306 AromaticContact CE2-NE1 3.67Å; Y271-W306 AromaticContact CG-CD2 3.83Å; Y271-W306 HydrophobicContact CG-CD2 3.83Å; Y271-W306 AromaticContact CG-CE3 3.52Å; Y271-W306 HydrophobicContact CG-CE3 3.52Å; Y271-W306 HydrophobicContact CG-CG 4.39Å; Y271-W306 AromaticContact CG-CZ3 3.94Å; Y271-W306 HydrophobicContact CG-CZ3 3.94Å; Y271-W306 AromaticContact CZ-CD1 3.84Å; Y271-W306 AromaticContact CZ-CG 3.89Å; Y271-W306 AromaticContact CZ-NE1 3.99Å; Y271-F328 HydrophobicContact CD2-CE1 4.49Å
272	F	94.2	Very high	92.8	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.022	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-41.6	177.7	-169.5	-88.5	0	0	0	111.8	V90 F91 A268 C269 L270 V274 S275 E276 L280 Y287 R299	V90-F272 HydrophobicContact CG1-CB 4.02Å; V90-F272 HydrophobicContact CG1-CD1 3.43Å; V90-F272 VanDerWaalsContact CG1-CD1 3.43Å; V90-F272 HydrophobicContact CG1-CE1 4.36Å; V90-F272 HydrophobicContact CG1-CG 4.16Å; F91-F272 HydrophobicContact CD1-CD1 4.2Å; F91-F272 HydrophobicContact CD1-CE1 4.06Å; F91-F272 HydrophobicContact CD1-CZ 4.42Å; F91-F272 HydrophobicContact CE1-CB 4.36Å; F91-F272 AromaticContact CE1-CD1 3.59Å; F91-F272 HydrophobicContact CE1-CD1 3.59Å; F91-F272 AromaticContact CE1-CD2 3.84Å; F91-F272 HydrophobicContact CE1-CD2 3.84Å; F91-F272 AromaticContact CE1-CE1 3.73Å; F91-F272 HydrophobicContact CE1-CE1 3.73Å; F91-F272 HydrophobicContact CE1-CE2 4.01Å; F91-F272 AromaticContact CE1-CG 3.63Å; F91-F272 HydrophobicContact CE1-CG 3.63Å; F91-F272 AromaticContact CE1-CZ 3.95Å; F91-F272 HydrophobicContact CE1-CZ 3.95Å; F91-F272 HydrophobicContact CZ-CB 3.9Å; F91-F272 AromaticContact CZ-CD1 3.91Å; F91-F272 HydrophobicContact CZ-CD1 3.91Å; F91-F272 HydrophobicContact CZ-CD2 4.13Å; F91-F272 AromaticContact CZ-CG 3.67Å; F91-F272 HydrophobicContact CZ-CG 3.67Å; A268-F272 PolarHBondContact O-N 2.99Å; A268-F272 VanDerWaalsContact O-N 3.09Å; C269-F272 PolarHBondContact O-N 3.28Å; L270-F272 PolarHBondContact O-N 3.07Å; F272-V274 VanDerWaalsContact C-N 3.32Å; F272-V274 PolarHBondContact O-N 2.97Å; F272-S275 WeakPolarHBondContact O-CB 3.46Å; F272-S275 PolarHBondContact O-N 3.47Å; F272-E276 PolarHBondContact O-N 2.79Å; F272-L280 HydrophobicContact CE2-CD2 4.43Å; F272-L280 HydrophobicContact CZ-CD2 4.36Å; F272-Y287 HydrophobicContact CE2-CD1 4.05Å; F272-Y287 HydrophobicContact CE2-CG 4.11Å; F272-R299 HydrophobicContact CD2-CB 4.22Å; F272-R299 HydrophobicContact CE2-CB 3.65Å; F272-R299 HydrophobicContact CE2-CG 3.8Å; F272-R299 HydrophobicContact CZ-CB 4.2Å; F272-R299 HydrophobicContact CZ-CG 4.16Å
273	A	92.7	Very high	92.7	Very high	33 Å²	33	34.1 Å²	34.1	27%	0.273	21%	0.212	S	C	.	.	H	α-helix	trans	-61.6	-39.1	177.1	0	0	0	0	0	112.4	V90 C269 L270 A277	V90-A273 HydrophobicContact CG1-CB 4.13Å; V90-A273 HydrophobicContact CG2-CB 3.95Å; C269-A273 WeakPolarHBondContact O-CB 3.4Å; C269-A273 PolarHBondContact O-N 3.27Å; L270-A273 PolarHBondContact O-N 3.48Å; A273-A277 WeakPolarHBondContact O-CB 3.32Å; A273-A277 PolarHBondContact O-N 3.39Å
274	V	93.5	Very high	92.6	Very high	34 Å²	34	37.9 Å²	37.9	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-67.7	-42.8	174.1	173.3	0	0	0	0	110.7	L270 Y271 F272 E276 A277 I278 W285 F328	L270-V274 HydrophobicContact CD1-CG2 4.47Å; L270-V274 WeakPolarHBondContact O-CG2 3.49Å; L270-V274 PolarHBondContact O-N 3.39Å; Y271-V274 PolarHBondContact O-N 3.38Å; F272-V274 VanDerWaalsContact C-N 3.32Å; F272-V274 PolarHBondContact O-N 2.97Å; V274-E276 VanDerWaalsContact C-N 3.31Å; V274-E276 PolarHBondContact O-N 3.34Å; V274-A277 PolarHBondContact O-N 2.9Å; V274-I278 HydrophobicContact CG1-CD1 3.8Å; V274-I278 HydrophobicContact CG1-CG1 4.41Å; V274-I278 WeakPolarHBondContact O-CG1 3.42Å; V274-I278 PolarHBondContact O-N 2.98Å; V274-W285 HydrophobicContact CG1-CH2 4.13Å; V274-W285 HydrophobicContact CG1-CZ3 4.13Å; V274-F328 HydrophobicContact CG2-CD2 4.21Å; V274-F328 HydrophobicContact CG2-CE2 4.08Å
275	S	93.6	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-41.4	176.3	-61.8	0	0	0	0	112.1	Y271 F272 G279	Y271-S275 WeakPolarHBondContact O-CB 3.41Å; Y271-S275 PolarHBondContact O-N 3.09Å; Y271-S275 PolarHBondContact O-OG 2.93Å; F272-S275 WeakPolarHBondContact O-CB 3.46Å; F272-S275 PolarHBondContact O-N 3.47Å; S275-G279 CarbonylContact O-C 3.33Å; S275-G279 PolarHBondContact O-N 3.35Å
276	E	91.2	Very high	92.4	Very high	93 Å²	93	37 Å²	37	44%	0.435	22%	0.224	S	C	.	.	H	α-helix	trans	-67.6	-40	176	-173.2	176.5	-157.9	0	0	111.9	F272 V274 G279 L280	F272-E276 PolarHBondContact O-N 2.79Å; V274-E276 VanDerWaalsContact C-N 3.31Å; V274-E276 PolarHBondContact O-N 3.34Å; E276-G279 PolarHBondContact O-N 3.16Å; E276-L280 HydrophobicContact CB-CD2 4.3Å
277	A	91.7	Very high	92.3	Very high	89 Å²	89	34.3 Å²	34.3	74%	0.736	21%	0.209	S	C	*	.	H	α-helix	trans	-67.4	-35.2	179	0	0	0	0	0	113.5	A273 V274	A273-A277 WeakPolarHBondContact O-CB 3.32Å; A273-A277 PolarHBondContact O-N 3.39Å; V274-A277 PolarHBondContact O-N 2.9Å
278	I	92.1	Very high	92	Very high	36 Å²	36	37.1 Å²	37.1	19%	0.185	22%	0.224	C	C	.	.	H	α-helix	trans	-74.4	-38.6	174.2	-65.4	171.2	0	0	0	110.4	V274 W285 V286 E324 E325	V274-I278 HydrophobicContact CG1-CD1 3.8Å; V274-I278 HydrophobicContact CG1-CG1 4.41Å; V274-I278 WeakPolarHBondContact O-CG1 3.42Å; V274-I278 PolarHBondContact O-N 2.98Å; I278-W285 HydrophobicContact CD1-CZ3 4.22Å; I278-V286 HydrophobicContact CB-CG1 4.19Å; I278-V286 HydrophobicContact CD1-CG1 4.4Å; I278-V286 HydrophobicContact CG2-CG1 4.07Å; I278-E324 HydrophobicContact CD1-CG 4.24Å; I278-E325 HydrophobicContact CD1-CG 3.69Å
279	G	90.8	Very high	91.4	Very high	25 Å²	25	40.2 Å²	40.2	26%	0.258	24%	0.241	S	C	.	.			trans	123.1	118.1	-179.4	0	0	0	0	0	110.9	S275 E276 G281 S282	S275-G279 CarbonylContact O-C 3.33Å; S275-G279 PolarHBondContact O-N 3.35Å; E276-G279 PolarHBondContact O-N 3.16Å; G279-G281 PolarHBondContact O-N 3.42Å; G279-S282 VanDerWaalsContact O-CB 3.25Å; G279-S282 WeakPolarHBondContact O-CB 3.47Å; G279-S282 PolarHBondContact O-N 2.84Å; G279-S282 PolarHBondContact O-OG 3.24Å
280	L	89.9	Confident	90.5	Very high	45 Å²	45	46 Å²	46	24%	0.236	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	133.7	-178.6	-58.8	177.2	0	0	0	111.4	F272 E276 S282 Y287 N289	F272-L280 HydrophobicContact CE2-CD2 4.43Å; F272-L280 HydrophobicContact CZ-CD2 4.36Å; E276-L280 HydrophobicContact CB-CD2 4.3Å; L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 3.18Å; L280-Y287 HydrophobicContact CD2-CD1 4.49Å; L280-N289 HydrophobicContact CB-CB 4.11Å; L280-N289 HydrophobicContact CD1-CB 4.41Å
281	G	87.6	Confident	89.6	Confident	27 Å²	27	44.3 Å²	44.3	28%	0.278	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	16.1	-178.6	0	0	0	0	0	115.7	G279 Y287	G279-G281 PolarHBondContact O-N 3.42Å; G281-Y287 PolarHBondContact N-O 3.42Å
282	S	89.6	Confident	88.4	Confident	57 Å²	57	53.4 Å²	53.4	40%	0.399	31%	0.313	S	S	.	.	S	Bend	trans	-75.1	-26.7	179.8	61.7	0	0	0	0	114.4	G279 L280	G279-S282 VanDerWaalsContact O-CB 3.25Å; G279-S282 WeakPolarHBondContact O-CB 3.47Å; G279-S282 PolarHBondContact O-N 2.84Å; G279-S282 PolarHBondContact O-OG 3.24Å; L280-S282 VanDerWaalsContact C-N 3.27Å; L280-S282 PolarHBondContact O-N 3.18Å
283	D	90.2	Very high	87.6	Confident	24 Å²	24	57.7 Å²	57.7	13%	0.128	34%	0.339	C	S	.	.	S	Bend	trans	-150.1	-176.1	175.1	53.9	60	0	0	0	110.4	W285 V286 R322	D283-W285 VanDerWaalsContact C-N 3.34Å; D283-W285 WeakPolarHBondContact OD1-CA 3.46Å; D283-W285 WeakPolarHBondContact OD1-CB 3.35Å; D283-W285 PolarHBondContact OD1-N 3.42Å; D283-V286 WeakPolarHBondContact O-CG2 3.37Å; D283-V286 WeakPolarHBondContact OD1-CG2 3.33Å; D283-V286 PolarHBondContact OD1-N 2.89Å; D283-R322 IonicContact OD2-NE 3.77Å; D283-R322 PolarHBondContact OD2-NE 3.5Å
284	Q	89.6	Confident	87.2	Confident	142 Å²	142	58.2 Å²	58.2	66%	0.664	34%	0.337	S	S	*	.	S	Bend	trans	-76.3	-19.7	-178	-163.2	-177.3	-19	0	0	113.3	P318	Q284-P318 HydrophobicContact CG-CB 4.21Å; Q284-P318 VanDerWaalsContact O-CB 3.3Å; Q284-P318 WeakPolarHBondContact O-CB 3.38Å; Q284-P318 WeakPolarHBondContact O-CG 3.43Å
285	W	92.5	Very high	86.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-83.7	-40.5	-176.4	-178	87.4	0	0	0	112.3	Y271 V274 I278 D283 W306 P318 P320 E325 F328	Y271-W285 AromaticContact CD2-CH2 3.73Å; Y271-W285 HydrophobicContact CD2-CH2 3.73Å; Y271-W285 AromaticContact CD2-CZ2 3.75Å; Y271-W285 HydrophobicContact CD2-CZ2 3.75Å; Y271-W285 HydrophobicContact CD2-CZ3 4.42Å; Y271-W285 HydrophobicContact CE2-CD2 4.28Å; Y271-W285 AromaticContact CE2-CE2 3.93Å; Y271-W285 HydrophobicContact CE2-CE3 4.35Å; Y271-W285 AromaticContact CE2-CH2 3.77Å; Y271-W285 HydrophobicContact CE2-CH2 3.77Å; Y271-W285 AromaticContact CE2-CZ2 3.66Å; Y271-W285 HydrophobicContact CE2-CZ2 3.66Å; Y271-W285 HydrophobicContact CE2-CZ3 4.11Å; Y271-W285 PolarHBondContact OH-O 2.94Å; V274-W285 HydrophobicContact CG1-CH2 4.13Å; V274-W285 HydrophobicContact CG1-CZ3 4.13Å; I278-W285 HydrophobicContact CD1-CZ3 4.22Å; D283-W285 VanDerWaalsContact C-N 3.34Å; D283-W285 WeakPolarHBondContact OD1-CA 3.46Å; D283-W285 WeakPolarHBondContact OD1-CB 3.35Å; D283-W285 PolarHBondContact OD1-N 3.42Å; W285-W306 AromaticContact CE2-CZ2 3.81Å; W285-W306 AromaticContact CZ2-CH2 3.99Å; W285-W306 HydrophobicContact CZ2-CH2 3.99Å; W285-W306 AromaticContact CZ2-CZ2 3.58Å; W285-W306 HydrophobicContact CZ2-CZ2 3.58Å; W285-W306 AromaticContact NE1-CZ2 3.59Å; W285-W306 AromaticContact NE1-NE1 3.93Å; W285-P318 VanDerWaalsContact CD1-O 3.32Å; W285-P320 HydrophobicContact CG-CB 4.31Å; W285-E325 HydrophobicContact CD2-CB 4.2Å; W285-E325 HydrophobicContact CD2-CG 4.09Å; W285-E325 HydrophobicContact CE3-CB 4.13Å; W285-E325 HydrophobicContact CE3-CG 3.56Å; W285-E325 HydrophobicContact CZ3-CB 4.39Å; W285-E325 HydrophobicContact CZ3-CG 3.83Å; W285-F328 AromaticContact CH2-CD1 3.68Å; W285-F328 HydrophobicContact CH2-CD1 3.68Å; W285-F328 HydrophobicContact CH2-CE1 4.05Å; W285-F328 AromaticContact CZ2-CD1 3.66Å; W285-F328 HydrophobicContact CZ2-CD1 3.66Å; W285-F328 HydrophobicContact CZ2-CE1 4.05Å
286	V	92.8	Very high	86.5	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.018	36%	0.357	C	S	.	.	S	Bend	trans	-68.4	155.7	175	-60.9	0	0	0	0	111.8	I278 D283 D288	I278-V286 HydrophobicContact CB-CG1 4.19Å; I278-V286 HydrophobicContact CD1-CG1 4.4Å; I278-V286 HydrophobicContact CG2-CG1 4.07Å; D283-V286 WeakPolarHBondContact O-CG2 3.37Å; D283-V286 WeakPolarHBondContact OD1-CG2 3.33Å; D283-V286 PolarHBondContact OD1-N 2.89Å; V286-D288 PolarHBondContact O-N 3.39Å
287	Y	91.7	Very high	86.3	Confident	7 Å²	7	60.3 Å²	60.3	3%	0.027	36%	0.357	C	S	.	.			trans	-60.7	127	174.8	179.6	-91.2	0	0	0	111.8	F272 L280 G281 D294 R298 R299 Y302	F272-Y287 HydrophobicContact CE2-CD1 4.05Å; F272-Y287 HydrophobicContact CE2-CG 4.11Å; L280-Y287 HydrophobicContact CD2-CD1 4.49Å; G281-Y287 PolarHBondContact N-O 3.42Å; Y287-D294 WeakPolarHBondContact CE1-OD1 3.46Å; Y287-D294 PolarHBondContact OH-OD1 3.48Å; Y287-R298 WeakPolarHBondContact OH-CG 3.35Å; Y287-R299 HydrophobicContact CD1-CG 4.27Å; Y287-R299 HydrophobicContact CE1-CB 4.48Å; Y287-R299 HydrophobicContact CE1-CG 3.52Å; Y287-R299 HydrophobicContact CE2-CB 4.42Å; Y287-R299 HydrophobicContact CE2-CG 4.2Å; Y287-R299 VanDerWaalsContact CZ-CG 3.45Å; Y287-R299 WeakPolarHBondContact OH-CG 3.4Å; Y287-Y302 AromaticContact CD2-CD1 3.56Å; Y287-Y302 HydrophobicContact CD2-CD1 3.56Å; Y287-Y302 HydrophobicContact CD2-CE1 4.14Å; Y287-Y302 HydrophobicContact CD2-CG 4.07Å; Y287-Y302 HydrophobicContact CE2-CD1 4.14Å; Y287-Y302 HydrophobicContact CE2-CG 4.17Å
288	D	88.5	Confident	86.3	Confident	71 Å²	71	62.5 Å²	62.5	38%	0.38	35%	0.346	S	S	.	.			trans	-83.2	114.5	176.8	-178.8	23.1	0	0	0	111.9	V286 N290	V286-D288 PolarHBondContact O-N 3.39Å; D288-N290 VanDerWaalsContact OD1-CB 3.28Å; D288-N290 WeakPolarHBondContact OD1-CB 3.41Å; D288-N290 PolarHBondContact OD1-N 3.17Å; D288-N290 PolarHBondContact OD1-ND2 2.94Å; D288-N290 VanDerWaalsContact OD1-ND2 3.07Å
289	N	83.6	Confident	86.3	Confident	64 Å²	64	62.9 Å²	62.9	34%	0.342	35%	0.345	S	S	.	.			trans	-86.3	-6.2	176.7	67	-11.9	0	0	0	113.5	L280 T291	L280-N289 HydrophobicContact CB-CB 4.11Å; L280-N289 HydrophobicContact CD1-CB 4.41Å; N289-T291 PolarHBondContact O-N 3.06Å
290	N	75.4	Confident	86.4	Confident	123 Å²	123	63.8 Å²	63.8	66%	0.658	34%	0.342	S	S	*	.			trans	-80.9	-0.1	-175.6	-62.1	-56.8	0	0	0	113.7	D288	D288-N290 VanDerWaalsContact OD1-CB 3.28Å; D288-N290 WeakPolarHBondContact OD1-CB 3.41Å; D288-N290 PolarHBondContact OD1-N 3.17Å; D288-N290 PolarHBondContact OD1-ND2 2.94Å; D288-N290 VanDerWaalsContact OD1-ND2 3.07Å
291	T	75.6	Confident	86.6	Confident	53 Å²	53	68.1 Å²	68.1	33%	0.325	36%	0.359	S	S	.	.	S	Bend	trans	-73.7	132.6	176	68.9	0	0	0	0	110.7	N289 T293 D294	N289-T291 PolarHBondContact O-N 3.06Å; T291-T293 PolarHBondContact O-N 2.77Å; T291-D294 WeakPolarHBondContact O-CB 3.38Å; T291-D294 PolarHBondContact O-N 3.2Å
292	L	69.3	Low	86.8	Confident	191 Å²	191	69.7 Å²	69.7	100%	1	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.7	174.9	-81.4	145.9	0	0	0	113.8
293	T	78	Confident	87.1	Confident	95 Å²	95	67 Å²	67	58%	0.583	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	12.7	-179.3	54.8	0	0	0	0	113.4	T291 S295	T291-T293 PolarHBondContact O-N 2.77Å; T293-S295 PolarHBondContact O-N 3.03Å
294	D	83.3	Confident	87.3	Confident	43 Å²	43	68.2 Å²	68.2	23%	0.23	34%	0.342	C	S	.	.			trans	-61.7	123.1	-179.7	-169.7	32.4	0	0	0	110.6	Y287 T291 R299	Y287-D294 WeakPolarHBondContact CE1-OD1 3.46Å; Y287-D294 PolarHBondContact OH-OD1 3.48Å; T291-D294 WeakPolarHBondContact O-CB 3.38Å; T291-D294 PolarHBondContact O-N 3.2Å; D294-R299 WeakPolarHBondContact OD1-CG 3.37Å; D294-R299 IonicContact OD1-CZ 3.52Å; D294-R299 IonicContact OD1-NE 3.93Å; D294-R299 PolarHBondContact OD1-NE 2.91Å; D294-R299 IonicContact OD2-CZ 2.62Å; D294-R299 VanDerWaalsContact OD2-CZ 3.27Å; D294-R299 IonicContact OD2-NE 3.32Å; D294-R299 PolarHBondContact OD2-NE 3.37Å; D294-R299 IonicContact OD2-NH2 2.72Å; D294-R299 PolarHBondContact OD2-NH2 3.47Å
295	S	85.9	Confident	87.5	Confident	54 Å²	54	67.6 Å²	67.6	38%	0.378	33%	0.334	S	S	.	.			trans	-153.3	154.6	-178.4	59.2	0	0	0	0	108.4	T293 S297 R298 R299	T293-S295 PolarHBondContact O-N 3.03Å; S295-S297 PolarHBondContact O-N 3.29Å; S295-S297 VanDerWaalsContact O-N 3.15Å; S295-R298 WeakPolarHBondContact O-CA 3.37Å; S295-R298 WeakPolarHBondContact O-CB 3.38Å; S295-R298 PolarHBondContact O-N 3.05Å; S295-R298 WeakPolarHBondContact OG-CB 3.37Å; S295-R298 PolarHBondContact OG-N 3.45Å; S295-R299 WeakPolarHBondContact O-CG 3.25Å; S295-R299 PolarHBondContact O-N 2.85Å
296	F	86.4	Confident	87.6	Confident	55 Å²	55	67.7 Å²	67.7	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-46.5	-47	173.5	161.7	-102.5	0	0	0	112.5	L87 F91 R298 R299 Y300	L87-F296 HydrophobicContact CD1-CE2 4.38Å; L87-F296 HydrophobicContact CD1-CZ 4.4Å; L87-F296 HydrophobicContact CD2-CZ 4.48Å; F91-F296 HydrophobicContact CB-CD2 3.88Å; F91-F296 HydrophobicContact CB-CE2 3.71Å; F91-F296 AromaticContact CD1-CD2 3.96Å; F91-F296 HydrophobicContact CD1-CD2 3.96Å; F91-F296 HydrophobicContact CD1-CE2 4.09Å; F91-F296 HydrophobicContact CD2-CE2 4.16Å; F91-F296 AromaticContact CG-CD2 3.97Å; F91-F296 HydrophobicContact CG-CD2 3.97Å; F91-F296 AromaticContact CG-CE2 3.71Å; F91-F296 HydrophobicContact CG-CE2 3.71Å; F296-R298 VanDerWaalsContact C-N 3.31Å; F296-R298 PolarHBondContact O-N 3.5Å; F296-R299 PolarHBondContact O-N 2.66Å; F296-Y300 WeakPolarHBondContact O-CB 3.39Å; F296-Y300 PolarHBondContact O-N 3.29Å
297	S	88.2	Confident	87.7	Confident	62 Å²	62	67.5 Å²	67.5	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-60.4	-43.5	-179.9	-65.5	0	0	0	0	110.9	S295 F301	S295-S297 PolarHBondContact O-N 3.29Å; S295-S297 VanDerWaalsContact O-N 3.15Å; S297-F301 WeakPolarHBondContact O-CB 3.14Å; S297-F301 WeakPolarHBondContact O-CD2 3.22Å; S297-F301 WeakPolarHBondContact O-CG 3.26Å; S297-F301 PolarHBondContact O-N 2.89Å
298	R	90.5	Very high	87.8	Confident	135 Å²	135	69.1 Å²	69.1	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-46.8	178.1	-175.5	62.3	176.7	-178.4	1.4	111.7	Y287 S295 F296 Y302	Y287-R298 WeakPolarHBondContact OH-CG 3.35Å; S295-R298 WeakPolarHBondContact O-CA 3.37Å; S295-R298 WeakPolarHBondContact O-CB 3.38Å; S295-R298 PolarHBondContact O-N 3.05Å; S295-R298 WeakPolarHBondContact OG-CB 3.37Å; S295-R298 PolarHBondContact OG-N 3.45Å; F296-R298 VanDerWaalsContact C-N 3.31Å; F296-R298 PolarHBondContact O-N 3.5Å; R298-Y302 WeakPolarHBondContact O-CB 3.24Å; R298-Y302 PolarHBondContact O-N 3.23Å
299	R	91.9	Very high	88.1	Confident	44 Å²	44	66.4 Å²	66.4	17%	0.166	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-50.1	177.6	-65.4	172.1	-175.8	169.9	6.2	111.7	F91 E93 F272 Y287 D294 S295 F296 S303	F91-R299 HydrophobicContact CD1-CB 4.5Å; F91-R299 HydrophobicContact CE1-CB 3.82Å; E93-R299 VanDerWaalsContact CD-NH1 3.31Å; E93-R299 IonicContact OE1-CZ 3.98Å; E93-R299 IonicContact OE1-NH1 2.95Å; E93-R299 PolarHBondContact OE1-NH1 2.82Å; E93-R299 IonicContact OE1-NH2 3.16Å; E93-R299 PolarHBondContact OE1-NH2 2.89Å; E93-R299 IonicContact OE2-NH1 2.72Å; F272-R299 HydrophobicContact CD2-CB 4.22Å; F272-R299 HydrophobicContact CE2-CB 3.65Å; F272-R299 HydrophobicContact CE2-CG 3.8Å; F272-R299 HydrophobicContact CZ-CB 4.2Å; F272-R299 HydrophobicContact CZ-CG 4.16Å; Y287-R299 HydrophobicContact CD1-CG 4.27Å; Y287-R299 HydrophobicContact CE1-CB 4.48Å; Y287-R299 HydrophobicContact CE1-CG 3.52Å; Y287-R299 HydrophobicContact CE2-CB 4.42Å; Y287-R299 HydrophobicContact CE2-CG 4.2Å; Y287-R299 VanDerWaalsContact CZ-CG 3.45Å; Y287-R299 WeakPolarHBondContact OH-CG 3.4Å; D294-R299 WeakPolarHBondContact OD1-CG 3.37Å; D294-R299 IonicContact OD1-CZ 3.52Å; D294-R299 IonicContact OD1-NE 3.93Å; D294-R299 PolarHBondContact OD1-NE 2.91Å; D294-R299 IonicContact OD2-CZ 2.62Å; D294-R299 VanDerWaalsContact OD2-CZ 3.27Å; D294-R299 IonicContact OD2-NE 3.32Å; D294-R299 PolarHBondContact OD2-NE 3.37Å; D294-R299 IonicContact OD2-NH2 2.72Å; D294-R299 PolarHBondContact OD2-NH2 3.47Å; S295-R299 WeakPolarHBondContact O-CG 3.25Å; S295-R299 PolarHBondContact O-N 2.85Å; F296-R299 PolarHBondContact O-N 2.66Å; R299-S303 WeakPolarHBondContact O-CB 3.39Å; R299-S303 PolarHBondContact O-N 2.77Å; R299-S303 PolarHBondContact O-OG 2.95Å
300	Y	93.7	Very high	88.5	Confident	45 Å²	45	63.3 Å²	63.3	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-51.2	179.7	178.4	-101.8	0	0	0	112.2	L87 F91 H265 F296 Y302 S303 F304	L87-Y300 HydrophobicContact CD1-CD2 3.62Å; L87-Y300 HydrophobicContact CD1-CE2 3.71Å; F91-Y300 HydrophobicContact CE2-CD2 4.01Å; F91-Y300 HydrophobicContact CZ-CD2 4.35Å; H265-Y300 AromaticContact CE1-CE2 3.93Å; H265-Y300 AromaticContact ND1-CE2 3.57Å; H265-Y300 AromaticContact ND1-CZ 3.72Å; H265-Y300 PolarHBondContact ND1-OH 2.87Å; F296-Y300 WeakPolarHBondContact O-CB 3.39Å; F296-Y300 PolarHBondContact O-N 3.29Å; Y300-Y302 VanDerWaalsContact C-N 3.33Å; Y300-Y302 PolarHBondContact O-N 2.86Å; Y300-S303 PolarHBondContact O-N 3.36Å; Y300-F304 HydrophobicContact CE1-CD2 4.48Å; Y300-F304 VanDerWaalsContact O-CB 3.3Å; Y300-F304 WeakPolarHBondContact O-CB 3.31Å; Y300-F304 PolarHBondContact O-N 3.26Å
301	F	93.6	Very high	89.3	Confident	136 Å²	136	58 Å²	58	60%	0.596	29%	0.285	S	S	*	.	H	α-helix	trans	-65.1	-35.8	-177.7	-76.4	-58.4	0	0	0	112.7	S297 Y305	S297-F301 WeakPolarHBondContact O-CB 3.14Å; S297-F301 WeakPolarHBondContact O-CD2 3.22Å; S297-F301 WeakPolarHBondContact O-CG 3.26Å; S297-F301 PolarHBondContact O-N 2.89Å; F301-Y305 VanDerWaalsContact O-CB 3.3Å; F301-Y305 WeakPolarHBondContact O-CB 3.44Å; F301-Y305 PolarHBondContact O-N 2.87Å
302	Y	93.2	Very high	90	Very high	60 Å²	60	57.4 Å²	57.4	24%	0.235	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-47.6	173.5	-179.5	-92	0	0	0	111.3	Y271 Y287 R298 Y300 F304 Y305 W306	Y271-Y302 HydrophobicContact CE1-CD1 4.29Å; Y271-Y302 HydrophobicContact CE1-CE1 4.12Å; Y287-Y302 AromaticContact CD2-CD1 3.56Å; Y287-Y302 HydrophobicContact CD2-CD1 3.56Å; Y287-Y302 HydrophobicContact CD2-CE1 4.14Å; Y287-Y302 HydrophobicContact CD2-CG 4.07Å; Y287-Y302 HydrophobicContact CE2-CD1 4.14Å; Y287-Y302 HydrophobicContact CE2-CG 4.17Å; R298-Y302 WeakPolarHBondContact O-CB 3.24Å; R298-Y302 PolarHBondContact O-N 3.23Å; Y300-Y302 VanDerWaalsContact C-N 3.33Å; Y300-Y302 PolarHBondContact O-N 2.86Å; Y302-F304 VanDerWaalsContact C-N 3.27Å; Y302-F304 PolarHBondContact O-N 3.38Å; Y302-Y305 WeakPolarHBondContact O-CB 3.42Å; Y302-Y305 PolarHBondContact O-N 3.04Å; Y302-Y305 VanDerWaalsContact O-N 3.13Å; Y302-W306 PolarHBondContact O-N 3.08Å
303	S	94.4	Very high	91	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-37.7	177.9	-55.4	0	0	0	0	111.9	A268 R299 Y300 S307	A268-S303 WeakPolarHBondContact CB-O 3.43Å; A268-S303 WeakPolarHBondContact O-CB 3.31Å; R299-S303 WeakPolarHBondContact O-CB 3.39Å; R299-S303 PolarHBondContact O-N 2.77Å; R299-S303 PolarHBondContact O-OG 2.95Å; Y300-S303 PolarHBondContact O-N 3.36Å; S303-S307 VanDerWaalsContact O-CB 3.25Å; S303-S307 WeakPolarHBondContact O-CB 3.45Å; S303-S307 PolarHBondContact O-N 3.43Å
304	F	95.1	Very high	91.6	Very high	50 Å²	50	51.5 Å²	51.5	22%	0.219	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-40.8	174.8	-167.3	-85.5	0	0	0	112.1	L261 I264 H265 A268 Y300 Y302 T308	L261-F304 HydrophobicContact CD2-CZ 4.34Å; I264-F304 HydrophobicContact CB-CE2 4.16Å; I264-F304 HydrophobicContact CB-CZ 4.21Å; I264-F304 HydrophobicContact CG2-CD1 4.2Å; I264-F304 HydrophobicContact CG2-CD2 3.85Å; I264-F304 HydrophobicContact CG2-CE1 3.88Å; I264-F304 HydrophobicContact CG2-CE2 3.51Å; I264-F304 HydrophobicContact CG2-CG 4.19Å; I264-F304 HydrophobicContact CG2-CZ 3.52Å; H265-F304 HydrophobicContact CB-CE2 4.4Å; A268-F304 HydrophobicContact CB-CB 4.27Å; A268-F304 HydrophobicContact CB-CD2 4.4Å; Y300-F304 HydrophobicContact CE1-CD2 4.48Å; Y300-F304 VanDerWaalsContact O-CB 3.3Å; Y300-F304 WeakPolarHBondContact O-CB 3.31Å; Y300-F304 PolarHBondContact O-N 3.26Å; Y302-F304 VanDerWaalsContact C-N 3.27Å; Y302-F304 PolarHBondContact O-N 3.38Å; F304-T308 WeakPolarHBondContact O-CB 3.31Å; F304-T308 PolarHBondContact O-N 3.44Å; F304-T308 PolarHBondContact O-OG1 3.22Å
305	Y	94.5	Very high	91.5	Very high	128 Å²	128	50.8 Å²	50.8	50%	0.502	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-48.1	174	172.5	-107.4	0	0	0	111.6	F301 Y302 S307 T308 L309	F301-Y305 VanDerWaalsContact O-CB 3.3Å; F301-Y305 WeakPolarHBondContact O-CB 3.44Å; F301-Y305 PolarHBondContact O-N 2.87Å; Y302-Y305 WeakPolarHBondContact O-CB 3.42Å; Y302-Y305 PolarHBondContact O-N 3.04Å; Y302-Y305 VanDerWaalsContact O-N 3.13Å; Y305-S307 PolarHBondContact O-N 3.08Å; Y305-T308 WeakPolarHBondContact O-CB 2.99Å; Y305-T308 PolarHBondContact O-N 3.25Å; Y305-L309 HydrophobicContact CD1-CD1 4.19Å; Y305-L309 HydrophobicContact CE1-CD1 3.58Å; Y305-L309 HydrophobicContact CE1-CG 4.48Å; Y305-L309 HydrophobicContact CE2-CD1 4.03Å; Y305-L309 HydrophobicContact CE2-CD2 4.35Å; Y305-L309 HydrophobicContact CE2-CG 4.18Å; Y305-L309 VanDerWaalsContact CZ-CD1 3.49Å; Y305-L309 WeakPolarHBondContact O-CG 3.26Å; Y305-L309 PolarHBondContact O-N 3.43Å
306	W	94.5	Very high	91.6	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-56.5	-52.5	175.9	-174.7	99.2	0	0	0	111.2	Y271 W285 Y302 T308 L309 T310 T317 F328	Y271-W306 HydrophobicContact CD1-CB 4.37Å; Y271-W306 HydrophobicContact CD1-CD2 4.2Å; Y271-W306 HydrophobicContact CD1-CE3 4.15Å; Y271-W306 HydrophobicContact CD1-CG 4.28Å; Y271-W306 AromaticContact CD2-CD2 3.55Å; Y271-W306 HydrophobicContact CD2-CD2 3.55Å; Y271-W306 AromaticContact CD2-CE2 3.66Å; Y271-W306 AromaticContact CD2-CE3 3.52Å; Y271-W306 HydrophobicContact CD2-CE3 3.52Å; Y271-W306 HydrophobicContact CD2-CG 4.27Å; Y271-W306 AromaticContact CD2-CH2 3.86Å; Y271-W306 HydrophobicContact CD2-CH2 3.86Å; Y271-W306 AromaticContact CD2-CZ2 3.84Å; Y271-W306 HydrophobicContact CD2-CZ2 3.84Å; Y271-W306 AromaticContact CD2-CZ3 3.7Å; Y271-W306 HydrophobicContact CD2-CZ3 3.7Å; Y271-W306 HydrophobicContact CE1-CB 4.16Å; Y271-W306 HydrophobicContact CE1-CD2 4.28Å; Y271-W306 HydrophobicContact CE1-CG 4.02Å; Y271-W306 AromaticContact CE2-CD1 3.99Å; Y271-W306 AromaticContact CE2-CD2 3.68Å; Y271-W306 HydrophobicContact CE2-CD2 3.68Å; Y271-W306 AromaticContact CE2-CE2 3.53Å; Y271-W306 HydrophobicContact CE2-CE3 4.16Å; Y271-W306 HydrophobicContact CE2-CG 4.03Å; Y271-W306 HydrophobicContact CE2-CH2 4.47Å; Y271-W306 AromaticContact CE2-CZ2 3.98Å; Y271-W306 HydrophobicContact CE2-CZ2 3.98Å; Y271-W306 AromaticContact CE2-NE1 3.67Å; Y271-W306 AromaticContact CG-CD2 3.83Å; Y271-W306 HydrophobicContact CG-CD2 3.83Å; Y271-W306 AromaticContact CG-CE3 3.52Å; Y271-W306 HydrophobicContact CG-CE3 3.52Å; Y271-W306 HydrophobicContact CG-CG 4.39Å; Y271-W306 AromaticContact CG-CZ3 3.94Å; Y271-W306 HydrophobicContact CG-CZ3 3.94Å; Y271-W306 AromaticContact CZ-CD1 3.84Å; Y271-W306 AromaticContact CZ-CG 3.89Å; Y271-W306 AromaticContact CZ-NE1 3.99Å; W285-W306 AromaticContact CE2-CZ2 3.81Å; W285-W306 AromaticContact CZ2-CH2 3.99Å; W285-W306 HydrophobicContact CZ2-CH2 3.99Å; W285-W306 AromaticContact CZ2-CZ2 3.58Å; W285-W306 HydrophobicContact CZ2-CZ2 3.58Å; W285-W306 AromaticContact NE1-CZ2 3.59Å; W285-W306 AromaticContact NE1-NE1 3.93Å; Y302-W306 PolarHBondContact O-N 3.08Å; W306-T308 VanDerWaalsContact C-N 3.27Å; W306-T308 PolarHBondContact O-N 2.7Å; W306-L309 PolarHBondContact O-N 2.89Å; W306-L309 VanDerWaalsContact O-N 3.08Å; W306-T310 HydrophobicContact CD2-CG2 4Å; W306-T310 HydrophobicContact CE3-CG2 3.97Å; W306-T310 HydrophobicContact CH2-CG2 3.59Å; W306-T310 HydrophobicContact CZ2-CG2 3.66Å; W306-T310 HydrophobicContact CZ3-CG2 3.76Å; W306-T310 PolarHBondContact O-N 3.38Å; W306-T317 HydrophobicContact CD2-CG2 4.43Å; W306-T317 HydrophobicContact CG-CG2 4.01Å; W306-F328 HydrophobicContact CH2-CD1 4.26Å; W306-F328 AromaticContact CH2-CE1 3.68Å; W306-F328 HydrophobicContact CH2-CE1 3.68Å; W306-F328 HydrophobicContact CZ3-CE1 4.02Å
307	S	94.7	Very high	91.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-36.7	177.9	168.9	0	0	0	0	112.7	I264 N267 A268 S303 Y305 T310 L311	I264-S307 PolarHBondContact O-OG 3.01Å; N267-S307 WeakPolarHBondContact CB-OG 3.21Å; N267-S307 PolarHBondContact ND2-OG 3.5Å; A268-S307 PolarHBondContact N-OG 3.44Å; S303-S307 VanDerWaalsContact O-CB 3.25Å; S303-S307 WeakPolarHBondContact O-CB 3.45Å; S303-S307 PolarHBondContact O-N 3.43Å; Y305-S307 PolarHBondContact O-N 3.08Å; S307-T310 PolarHBondContact O-OG1 3.08Å; S307-L311 VanDerWaalsContact O-CB 3.3Å; S307-L311 WeakPolarHBondContact O-CB 3.35Å; S307-L311 WeakPolarHBondContact O-CG 3.37Å; S307-L311 PolarHBondContact O-N 3.07Å
308	T	93.8	Very high	91.8	Very high	41 Å²	41	51.7 Å²	51.7	25%	0.252	25%	0.247	S	C	.	.	H	α-helix	trans	-65.2	-45.4	175.8	-58.7	0	0	0	0	110.7	I264 F304 Y305 W306 T310 T312	I264-T308 WeakPolarHBondContact CG2-OG1 3.45Å; F304-T308 WeakPolarHBondContact O-CB 3.31Å; F304-T308 PolarHBondContact O-N 3.44Å; F304-T308 PolarHBondContact O-OG1 3.22Å; Y305-T308 WeakPolarHBondContact O-CB 2.99Å; Y305-T308 PolarHBondContact O-N 3.25Å; W306-T308 VanDerWaalsContact C-N 3.27Å; W306-T308 PolarHBondContact O-N 2.7Å; T308-T310 PolarHBondContact O-N 3.46Å; T308-T312 HydrophobicContact CG2-CG2 4.25Å; T308-T312 VanDerWaalsContact O-CB 3.27Å; T308-T312 WeakPolarHBondContact O-CB 3.38Å; T308-T312 VanDerWaalsContact O-CG2 3.24Å; T308-T312 WeakPolarHBondContact O-CG2 3.42Å; T308-T312 PolarHBondContact O-N 3.07Å; T308-T312 PolarHBondContact O-OG1 3.49Å
309	L	94	Very high	91.8	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-38.7	-179.7	-70	178	0	0	0	113	Y305 W306 T313 I314 G315 E316 T317	Y305-L309 HydrophobicContact CD1-CD1 4.19Å; Y305-L309 HydrophobicContact CE1-CD1 3.58Å; Y305-L309 HydrophobicContact CE1-CG 4.48Å; Y305-L309 HydrophobicContact CE2-CD1 4.03Å; Y305-L309 HydrophobicContact CE2-CD2 4.35Å; Y305-L309 HydrophobicContact CE2-CG 4.18Å; Y305-L309 VanDerWaalsContact CZ-CD1 3.49Å; Y305-L309 WeakPolarHBondContact O-CG 3.26Å; Y305-L309 PolarHBondContact O-N 3.43Å; W306-L309 PolarHBondContact O-N 2.89Å; W306-L309 VanDerWaalsContact O-N 3.08Å; L309-T313 PolarHBondContact O-N 3Å; L309-I314 HydrophobicContact CD2-CB 3.99Å; L309-I314 HydrophobicContact CD2-CD1 4.03Å; L309-I314 HydrophobicContact CD2-CG2 3.89Å; L309-I314 PolarHBondContact O-N 3.04Å; L309-G315 PolarHBondContact O-N 3.22Å; L309-E316 HydrophobicContact CD1-CB 4.46Å; L309-T317 HydrophobicContact CB-CG2 3.93Å; L309-T317 HydrophobicContact CD1-CG2 4.01Å
310	T	92.6	Very high	91.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-71.4	-50.3	178.9	60.6	0	0	0	0	111.5	W306 S307 T308 T312 T313 T317 D332	W306-T310 HydrophobicContact CD2-CG2 4Å; W306-T310 HydrophobicContact CE3-CG2 3.97Å; W306-T310 HydrophobicContact CH2-CG2 3.59Å; W306-T310 HydrophobicContact CZ2-CG2 3.66Å; W306-T310 HydrophobicContact CZ3-CG2 3.76Å; W306-T310 PolarHBondContact O-N 3.38Å; S307-T310 PolarHBondContact O-OG1 3.08Å; T308-T310 PolarHBondContact O-N 3.46Å; T310-T312 VanDerWaalsContact C-N 3.29Å; T310-T312 PolarHBondContact O-N 3.34Å; T310-T313 PolarHBondContact O-N 3.11Å; T310-T317 HydrophobicContact CG2-CG2 4.02Å; T310-D332 VanDerWaalsContact CB-OD2 3.27Å; T310-D332 WeakPolarHBondContact CB-OD2 3.09Å; T310-D332 PolarHBondContact OG1-OD2 2.85Å
311	L	91.7	Very high	91.7	Very high	12 Å²	12	58 Å²	58	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-69.4	-24.4	-178.2	-67.5	177.7	0	0	0	113.5	I263 I264 N267 S307 T313 D332	I263-L311 HydrophobicContact CG2-CD1 4.1Å; I264-L311 HydrophobicContact CG1-CD1 3.98Å; N267-L311 HydrophobicContact CB-CD1 3.88Å; S307-L311 VanDerWaalsContact O-CB 3.3Å; S307-L311 WeakPolarHBondContact O-CB 3.35Å; S307-L311 WeakPolarHBondContact O-CG 3.37Å; S307-L311 PolarHBondContact O-N 3.07Å; L311-T313 VanDerWaalsContact C-N 3.32Å; L311-D332 WeakPolarHBondContact CD2-OD1 3.42Å
312	T	91	Very high	91.6	Very high	39 Å²	39	56 Å²	56	24%	0.239	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	5	172.7	61	0	0	0	0	113.5	T308 T310 I314	T308-T312 HydrophobicContact CG2-CG2 4.25Å; T308-T312 VanDerWaalsContact O-CB 3.27Å; T308-T312 WeakPolarHBondContact O-CB 3.38Å; T308-T312 VanDerWaalsContact O-CG2 3.24Å; T308-T312 WeakPolarHBondContact O-CG2 3.42Å; T308-T312 PolarHBondContact O-N 3.07Å; T308-T312 PolarHBondContact O-OG1 3.49Å; T310-T312 VanDerWaalsContact C-N 3.29Å; T310-T312 PolarHBondContact O-N 3.34Å; T312-I314 PolarHBondContact O-N 3.2Å; T312-I314 WeakPolarHBondContact OG1-CD1 3.48Å
313	T	89.9	Confident	91.7	Very high	65 Å²	65	59.5 Å²	59.5	40%	0.399	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	21.7	176.6	68.9	0	0	0	0	114.6	L309 T310 L311 V337	L309-T313 PolarHBondContact O-N 3Å; T310-T313 PolarHBondContact O-N 3.11Å; L311-T313 VanDerWaalsContact C-N 3.32Å; T313-V337 HydrophobicContact CG2-CG2 3.7Å
314	I	91.3	Very high	91.6	Very high	98 Å²	98	64.4 Å²	64.4	50%	0.503	32%	0.315	S	S	.	.			trans	-75.1	-43.3	174.8	-62.5	172.5	0	0	0	109.5	L309 T312 E316	L309-I314 HydrophobicContact CD2-CB 3.99Å; L309-I314 HydrophobicContact CD2-CD1 4.03Å; L309-I314 HydrophobicContact CD2-CG2 3.89Å; L309-I314 PolarHBondContact O-N 3.04Å; T312-I314 PolarHBondContact O-N 3.2Å; T312-I314 WeakPolarHBondContact OG1-CD1 3.48Å; I314-E316 VanDerWaalsContact C-N 3.32Å; I314-E316 HydrophobicContact CG2-CB 4.44Å; I314-E316 HydrophobicContact CG2-CG 4.04Å; I314-E316 PolarHBondContact O-N 3.42Å
315	G	81.4	Confident	91.6	Very high	27 Å²	27	62 Å²	62	28%	0.278	31%	0.305	S	S	.	.			trans	69.8	16.9	168.7	0	0	0	0	0	116.6	L309 T317 Y333	L309-G315 PolarHBondContact O-N 3.22Å; G315-T317 PolarHBondContact O-N 2.89Å; G315-Y333 WeakPolarHBondContact CA-OH 3.32Å
316	E	87.2	Confident	91.6	Very high	148 Å²	148	59.5 Å²	59.5	69%	0.692	30%	0.299	S	S	*	.			trans	-78.1	48.7	172.8	-67.6	-175.1	173.4	0	0	112	L309 I314	L309-E316 HydrophobicContact CD1-CB 4.46Å; I314-E316 VanDerWaalsContact C-N 3.32Å; I314-E316 HydrophobicContact CG2-CB 4.44Å; I314-E316 HydrophobicContact CG2-CG 4.04Å; I314-E316 PolarHBondContact O-N 3.42Å
317	T	88.4	Confident	91.6	Very high	16 Å²	16	64.9 Å²	64.9	10%	0.098	33%	0.327	C	S	.	.	S	Bend	trans	-107.4	156.5	177.6	56.5	0	0	0	0	110.6	W306 L309 T310 G315	W306-T317 HydrophobicContact CD2-CG2 4.43Å; W306-T317 HydrophobicContact CG-CG2 4.01Å; L309-T317 HydrophobicContact CB-CG2 3.93Å; L309-T317 HydrophobicContact CD1-CG2 4.01Å; T310-T317 HydrophobicContact CG2-CG2 4.02Å; G315-T317 PolarHBondContact O-N 2.89Å
318	P	90.3	Very high	91.6	Very high	27 Å²	27	66.5 Å²	66.5	18%	0.175	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-54.6	149.8	174.4	-23.6	33.4	0	0	0	111.7	Q284 W285	Q284-P318 HydrophobicContact CG-CB 4.21Å; Q284-P318 VanDerWaalsContact O-CB 3.3Å; Q284-P318 WeakPolarHBondContact O-CB 3.38Å; Q284-P318 WeakPolarHBondContact O-CG 3.43Å; W285-P318 VanDerWaalsContact CD1-O 3.32Å
319	Y	90.1	Very high	91.5	Very high	200 Å²	200	65.3 Å²	65.3	78%	0.784	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-73.6	133.5	-179.5	-63.8	-76.5	0	0	0	110.5
320	P	92.1	Very high	91.5	Very high	29 Å²	29	68.2 Å²	68.2	19%	0.188	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-67.3	136.4	172.1	29.7	-34.8	0	0	0	110	W285 E325 I326 N329	W285-P320 HydrophobicContact CG-CB 4.31Å; P320-E325 HydrophobicContact CB-CB 3.47Å; P320-E325 VanDerWaalsContact CB-CB 3.47Å; P320-I326 HydrophobicContact CB-CG1 4Å; P320-I326 HydrophobicContact CG-CG1 3.88Å; P320-N329 HydrophobicContact CG-CB 4.42Å
321	E	91.4	Very high	91.5	Very high	126 Å²	126	71.6 Å²	71.6	59%	0.589	37%	0.365	S	S	*	.			trans	-101.8	-31.9	-178.7	-66.7	-172.6	-165	0	0	112	E325	E321-E325 PolarHBondContact N-OE2 3.3Å
322	R	93.2	Very high	91.6	Very high	94 Å²	94	71.4 Å²	71.4	36%	0.355	36%	0.364	S	S	.	.	S	Bend	trans	-97.3	155.1	-176.2	-54.5	-177.1	-174.8	-145.4	2.6	113.2	D283 E324 E325 I326	D283-R322 IonicContact OD2-NE 3.77Å; D283-R322 PolarHBondContact OD2-NE 3.5Å; R322-E324 VanDerWaalsContact C-N 3.3Å; R322-E324 HydrophobicContact CB-CG 3.93Å; R322-E324 WeakPolarHBondContact CD-OE1 3.32Å; R322-E324 IonicContact NH1-OE1 3.64Å; R322-E324 PolarHBondContact O-N 3.26Å; R322-E325 HydrophobicContact CB-CB 4.48Å; R322-E325 HydrophobicContact CB-CG 4.03Å; R322-E325 VanDerWaalsContact CD-OE1 3.29Å; R322-E325 WeakPolarHBondContact CD-OE1 3.27Å; R322-E325 WeakPolarHBondContact CG-OE1 3.12Å; R322-E325 PolarHBondContact N-OE2 3.33Å; R322-E325 IonicContact NE-OE1 2.89Å; R322-E325 WeakPolarHBondContact O-CB 3.4Å; R322-E325 PolarHBondContact O-N 2.97Å; R322-E325 VanDerWaalsContact O-N 3.1Å; R322-I326 VanDerWaalsContact O-CG1 3.3Å; R322-I326 WeakPolarHBondContact O-CG1 3.44Å; R322-I326 PolarHBondContact O-N 3.09Å
323	D	94.6	Very high	91.6	Very high	135 Å²	135	72.7 Å²	72.7	72%	0.722	37%	0.365	S	S	*	.	H	α-helix	trans	-58.5	-41.6	178.1	-71.7	-20.3	0	0	0	111.9	E325 I326 L327	D323-E325 PolarHBondContact O-N 3.32Å; D323-I326 PolarHBondContact O-N 3.17Å; D323-L327 WeakPolarHBondContact O-CB 3.49Å; D323-L327 PolarHBondContact O-N 2.7Å
324	E	92.5	Very high	91.8	Very high	103 Å²	103	75 Å²	75	48%	0.481	37%	0.374	S	S	.	.	H	α-helix	trans	-60.4	-39.8	174.6	46.9	-91.8	-154.8	0	0	113.5	I278 R322 F328	I278-E324 HydrophobicContact CD1-CG 4.24Å; R322-E324 VanDerWaalsContact C-N 3.3Å; R322-E324 HydrophobicContact CB-CG 3.93Å; R322-E324 WeakPolarHBondContact CD-OE1 3.32Å; R322-E324 IonicContact NH1-OE1 3.64Å; R322-E324 PolarHBondContact O-N 3.26Å; E324-F328 WeakPolarHBondContact O-CB 3.34Å; E324-F328 PolarHBondContact O-N 3.07Å
325	E	94.3	Very high	91.8	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-72.5	-41.7	179	-61.7	163.2	-167.3	0	0	111.1	I278 W285 P320 E321 R322 D323 L327 F328 N329	I278-E325 HydrophobicContact CD1-CG 3.69Å; W285-E325 HydrophobicContact CD2-CB 4.2Å; W285-E325 HydrophobicContact CD2-CG 4.09Å; W285-E325 HydrophobicContact CE3-CB 4.13Å; W285-E325 HydrophobicContact CE3-CG 3.56Å; W285-E325 HydrophobicContact CZ3-CB 4.39Å; W285-E325 HydrophobicContact CZ3-CG 3.83Å; P320-E325 HydrophobicContact CB-CB 3.47Å; P320-E325 VanDerWaalsContact CB-CB 3.47Å; E321-E325 PolarHBondContact N-OE2 3.3Å; R322-E325 HydrophobicContact CB-CB 4.48Å; R322-E325 HydrophobicContact CB-CG 4.03Å; R322-E325 VanDerWaalsContact CD-OE1 3.29Å; R322-E325 WeakPolarHBondContact CD-OE1 3.27Å; R322-E325 WeakPolarHBondContact CG-OE1 3.12Å; R322-E325 PolarHBondContact N-OE2 3.33Å; R322-E325 IonicContact NE-OE1 2.89Å; R322-E325 WeakPolarHBondContact O-CB 3.4Å; R322-E325 PolarHBondContact O-N 2.97Å; R322-E325 VanDerWaalsContact O-N 3.1Å; D323-E325 PolarHBondContact O-N 3.32Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 3.26Å; E325-F328 PolarHBondContact O-N 3.47Å; E325-N329 VanDerWaalsContact O-CB 3.23Å; E325-N329 WeakPolarHBondContact O-CB 3.44Å; E325-N329 PolarHBondContact O-N 3.11Å
326	I	94.1	Very high	92.3	Very high	74 Å²	74	72.8 Å²	72.8	38%	0.379	36%	0.357	S	S	.	.	H	α-helix	trans	-60.1	-44.7	175.5	-67.5	166.5	0	0	0	109.7	P320 R322 D323 T330	P320-I326 HydrophobicContact CB-CG1 4Å; P320-I326 HydrophobicContact CG-CG1 3.88Å; R322-I326 VanDerWaalsContact O-CG1 3.3Å; R322-I326 WeakPolarHBondContact O-CG1 3.44Å; R322-I326 PolarHBondContact O-N 3.09Å; D323-I326 PolarHBondContact O-N 3.17Å; I326-T330 VanDerWaalsContact O-CB 3.3Å; I326-T330 WeakPolarHBondContact O-CB 3.19Å; I326-T330 PolarHBondContact O-N 3.45Å; I326-T330 PolarHBondContact O-OG1 2.84Å
327	L	94.9	Very high	92.5	Very high	116 Å²	116	69.5 Å²	69.5	61%	0.607	35%	0.346	S	S	*	.	H	α-helix	trans	-63.1	-48.1	176.9	179.7	62.3	0	0	0	111.4	D323 E325 T330 V331	D323-L327 WeakPolarHBondContact O-CB 3.49Å; D323-L327 PolarHBondContact O-N 2.7Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 3.26Å; L327-T330 PolarHBondContact O-N 2.88Å; L327-V331 HydrophobicContact CD1-CG2 4.37Å; L327-V331 WeakPolarHBondContact O-CG2 3.38Å; L327-V331 PolarHBondContact O-N 2.95Å
328	F	94	Very high	92.6	Very high	34 Å²	34	74.4 Å²	74.4	15%	0.149	37%	0.371	C	S	.	.	H	α-helix	trans	-57.7	-50.9	178.1	178	-99.4	0	0	0	111.6	L270 Y271 V274 W285 W306 E324 E325 T330 V331 D332	L270-F328 HydrophobicContact CD2-CE2 3.73Å; L270-F328 HydrophobicContact CD2-CZ 4.19Å; L270-F328 HydrophobicContact CG-CE2 3.75Å; L270-F328 HydrophobicContact CG-CZ 4.06Å; Y271-F328 HydrophobicContact CD2-CE1 4.49Å; V274-F328 HydrophobicContact CG2-CD2 4.21Å; V274-F328 HydrophobicContact CG2-CE2 4.08Å; W285-F328 AromaticContact CH2-CD1 3.68Å; W285-F328 HydrophobicContact CH2-CD1 3.68Å; W285-F328 HydrophobicContact CH2-CE1 4.05Å; W285-F328 AromaticContact CZ2-CD1 3.66Å; W285-F328 HydrophobicContact CZ2-CD1 3.66Å; W285-F328 HydrophobicContact CZ2-CE1 4.05Å; W306-F328 HydrophobicContact CH2-CD1 4.26Å; W306-F328 AromaticContact CH2-CE1 3.68Å; W306-F328 HydrophobicContact CH2-CE1 3.68Å; W306-F328 HydrophobicContact CZ3-CE1 4.02Å; E324-F328 WeakPolarHBondContact O-CB 3.34Å; E324-F328 PolarHBondContact O-N 3.07Å; E325-F328 PolarHBondContact O-N 3.47Å; F328-T330 VanDerWaalsContact C-N 3.34Å; F328-T330 PolarHBondContact O-N 2.99Å; F328-V331 PolarHBondContact O-N 2.95Å; F328-D332 PolarHBondContact O-N 2.95Å
329	N	93	Very high	92.4	Very high	15 Å²	15	75.1 Å²	75.1	8%	0.08	37%	0.373	C	S	.	.	H	α-helix	trans	-63	-39.9	-179.4	-159.7	28.9	0	0	0	111.6	P320 E325 V331 D332 Y333	P320-N329 HydrophobicContact CG-CB 4.42Å; E325-N329 VanDerWaalsContact O-CB 3.23Å; E325-N329 WeakPolarHBondContact O-CB 3.44Å; E325-N329 PolarHBondContact O-N 3.11Å; N329-V331 PolarHBondContact O-N 3.38Å; N329-D332 PolarHBondContact O-N 3.05Å; N329-Y333 WeakPolarHBondContact ND2-CE2 3.28Å; N329-Y333 WeakPolarHBondContact O-CB 3.42Å; N329-Y333 WeakPolarHBondContact O-CD2 3.3Å; N329-Y333 PolarHBondContact O-N 3.36Å; N329-Y333 VanDerWaalsContact OD1-CE2 3.26Å; N329-Y333 WeakPolarHBondContact OD1-CE2 3.31Å
330	T	93	Very high	92.3	Very high	74 Å²	74	69.7 Å²	69.7	45%	0.454	35%	0.354	S	S	.	.	H	α-helix	trans	-62.5	-44	176.8	-59.5	0	0	0	0	111.7	I326 L327 F328 L334	I326-T330 VanDerWaalsContact O-CB 3.3Å; I326-T330 WeakPolarHBondContact O-CB 3.19Å; I326-T330 PolarHBondContact O-N 3.45Å; I326-T330 PolarHBondContact O-OG1 2.84Å; L327-T330 PolarHBondContact O-N 2.88Å; F328-T330 VanDerWaalsContact C-N 3.34Å; F328-T330 PolarHBondContact O-N 2.99Å; T330-L334 HydrophobicContact CG2-CD1 4.49Å; T330-L334 WeakPolarHBondContact O-CG 3.24Å; T330-L334 PolarHBondContact O-N 3.28Å; T330-L334 VanDerWaalsContact O-N 3.15Å
331	V	93.8	Very high	92.1	Very high	71 Å²	71	71.2 Å²	71.2	43%	0.43	37%	0.369	S	S	.	.	H	α-helix	trans	-66.7	-43.2	177.2	172.7	0	0	0	0	110.9	L327 F328 N329 Y333 L334 I335	L327-V331 HydrophobicContact CD1-CG2 4.37Å; L327-V331 WeakPolarHBondContact O-CG2 3.38Å; L327-V331 PolarHBondContact O-N 2.95Å; F328-V331 PolarHBondContact O-N 2.95Å; N329-V331 PolarHBondContact O-N 3.38Å; V331-Y333 PolarHBondContact O-N 3.03Å; V331-L334 PolarHBondContact O-N 3.36Å; V331-I335 HydrophobicContact CG1-CD1 3.76Å; V331-I335 HydrophobicContact CG1-CG1 4.47Å; V331-I335 WeakPolarHBondContact O-CG1 3.47Å; V331-I335 PolarHBondContact O-N 3.13Å
332	D	93	Very high	91.9	Very high	8 Å²	8	68.3 Å²	68.3	4%	0.043	36%	0.36	C	S	.	.	H	α-helix	trans	-62.7	-42.4	178.7	-164.9	40.4	0	0	0	111.6	N267 T310 L311 F328 N329 L334 I335 G336	N267-D332 PolarHBondContact ND2-OD1 3.44Å; N267-D332 VanDerWaalsContact ND2-OD1 3.16Å; N267-D332 PolarHBondContact ND2-OD2 2.95Å; N267-D332 PolarHBondContact OD1-OD1 3.44Å; T310-D332 VanDerWaalsContact CB-OD2 3.27Å; T310-D332 WeakPolarHBondContact CB-OD2 3.09Å; T310-D332 PolarHBondContact OG1-OD2 2.85Å; L311-D332 WeakPolarHBondContact CD2-OD1 3.42Å; F328-D332 PolarHBondContact O-N 2.95Å; N329-D332 PolarHBondContact O-N 3.05Å; D332-L334 PolarHBondContact O-N 3.03Å; D332-I335 PolarHBondContact O-N 3.38Å; D332-G336 PolarHBondContact O-N 3.4Å
333	Y	91.9	Very high	91.5	Very high	66 Å²	66	65.1 Å²	65.1	26%	0.259	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-43	174.3	-83.8	-57.8	0	0	0	112.9	G315 N329 V331 I335 G336 V337	G315-Y333 WeakPolarHBondContact CA-OH 3.32Å; N329-Y333 WeakPolarHBondContact ND2-CE2 3.28Å; N329-Y333 WeakPolarHBondContact O-CB 3.42Å; N329-Y333 WeakPolarHBondContact O-CD2 3.3Å; N329-Y333 PolarHBondContact O-N 3.36Å; N329-Y333 VanDerWaalsContact OD1-CE2 3.26Å; N329-Y333 WeakPolarHBondContact OD1-CE2 3.31Å; V331-Y333 PolarHBondContact O-N 3.03Å; Y333-I335 VanDerWaalsContact C-N 3.33Å; Y333-I335 PolarHBondContact O-N 2.89Å; Y333-G336 PolarHBondContact O-N 3.31Å; Y333-V337 VanDerWaalsContact O-CG2 3.26Å; Y333-V337 WeakPolarHBondContact O-CG2 3.39Å; Y333-V337 PolarHBondContact O-N 2.93Å
334	L	93	Very high	91.1	Very high	113 Å²	113	62.5 Å²	62.5	59%	0.592	34%	0.338	S	S	*	.	H	α-helix	trans	-62.5	-42.4	177.2	-72.8	171.4	0	0	0	111.5	T330 V331 D332 L338	T330-L334 HydrophobicContact CG2-CD1 4.49Å; T330-L334 WeakPolarHBondContact O-CG 3.24Å; T330-L334 PolarHBondContact O-N 3.28Å; T330-L334 VanDerWaalsContact O-N 3.15Å; V331-L334 PolarHBondContact O-N 3.36Å; D332-L334 PolarHBondContact O-N 3.03Å; L334-L338 WeakPolarHBondContact O-CG 3.36Å; L334-L338 PolarHBondContact O-N 3.18Å
335	I	91.8	Very high	90.9	Very high	80 Å²	80	59.4 Å²	59.4	41%	0.41	33%	0.334	S	S	.	.	H	α-helix	trans	-65.7	-46.1	176.5	-69.5	170.7	0	0	0	110.6	V331 D332 Y333 V337 L338 I339	V331-I335 HydrophobicContact CG1-CD1 3.76Å; V331-I335 HydrophobicContact CG1-CG1 4.47Å; V331-I335 WeakPolarHBondContact O-CG1 3.47Å; V331-I335 PolarHBondContact O-N 3.13Å; D332-I335 PolarHBondContact O-N 3.38Å; Y333-I335 VanDerWaalsContact C-N 3.33Å; Y333-I335 PolarHBondContact O-N 2.89Å; I335-V337 PolarHBondContact O-N 3.19Å; I335-L338 PolarHBondContact O-N 3.11Å; I335-I339 HydrophobicContact CG2-CD1 3.48Å; I335-I339 VanDerWaalsContact CG2-CD1 3.48Å; I335-I339 HydrophobicContact CG2-CG1 4.31Å; I335-I339 VanDerWaalsContact O-CG1 3.31Å; I335-I339 WeakPolarHBondContact O-CG1 3.19Å; I335-I339 PolarHBondContact O-N 3.22Å
336	G	90.8	Very high	90.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-58.1	-47.8	178.2	0	0	0	0	0	112.8	D332 Y333 L338 I339 F340	D332-G336 PolarHBondContact O-N 3.4Å; Y333-G336 PolarHBondContact O-N 3.31Å; G336-L338 VanDerWaalsContact C-N 3.32Å; G336-L338 PolarHBondContact O-N 3.5Å; G336-I339 PolarHBondContact O-N 3.03Å; G336-F340 WeakPolarHBondContact O-CB 3.32Å; G336-F340 PolarHBondContact O-N 3.28Å
337	V	91.5	Very high	90	Very high	79 Å²	79	60.3 Å²	60.3	48%	0.479	34%	0.339	S	S	.	.	H	α-helix	trans	-58.5	-43.5	176.6	170.7	0	0	0	0	111.4	T313 Y333 I335 A341	T313-V337 HydrophobicContact CG2-CG2 3.7Å; Y333-V337 VanDerWaalsContact O-CG2 3.26Å; Y333-V337 WeakPolarHBondContact O-CG2 3.39Å; Y333-V337 PolarHBondContact O-N 2.93Å; I335-V337 PolarHBondContact O-N 3.19Å; V337-A341 VanDerWaalsContact O-CB 3.24Å; V337-A341 WeakPolarHBondContact O-CB 3.44Å; V337-A341 PolarHBondContact O-N 3.48Å
338	L	91.1	Very high	89.7	Confident	119 Å²	119	56.4 Å²	56.4	62%	0.623	33%	0.327	S	S	*	.	H	α-helix	trans	-66.4	-45.1	178.4	-69.1	173.2	0	0	0	111.9	L334 I335 G336 A341 T342	L334-L338 WeakPolarHBondContact O-CG 3.36Å; L334-L338 PolarHBondContact O-N 3.18Å; I335-L338 PolarHBondContact O-N 3.11Å; G336-L338 VanDerWaalsContact C-N 3.32Å; G336-L338 PolarHBondContact O-N 3.5Å; L338-A341 PolarHBondContact O-N 3.05Å; L338-T342 WeakPolarHBondContact O-CG2 3.35Å; L338-T342 PolarHBondContact O-N 3.25Å; L338-T342 PolarHBondContact O-OG1 3.38Å
339	I	87.1	Confident	89.3	Confident	42 Å²	42	56.8 Å²	56.8	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-48.5	177.7	-68.4	164	0	0	0	110.2	I263 I335 G336 A341 T342 L343	I263-I339 HydrophobicContact CG2-CD1 3.92Å; I335-I339 HydrophobicContact CG2-CD1 3.48Å; I335-I339 VanDerWaalsContact CG2-CD1 3.48Å; I335-I339 HydrophobicContact CG2-CG1 4.31Å; I335-I339 VanDerWaalsContact O-CG1 3.31Å; I335-I339 WeakPolarHBondContact O-CG1 3.19Å; I335-I339 PolarHBondContact O-N 3.22Å; G336-I339 PolarHBondContact O-N 3.03Å; I339-A341 PolarHBondContact O-N 3.22Å; I339-T342 PolarHBondContact O-N 2.59Å; I339-T342 PolarHBondContact O-OG1 3.5Å; I339-L343 WeakPolarHBondContact O-CB 3.3Å; I339-L343 PolarHBondContact O-N 3.02Å
340	F	86.3	Confident	88.9	Confident	85 Å²	85	56.5 Å²	56.5	37%	0.373	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-39.3	-179	-169.5	-102	0	0	0	112.2	G336 L343 V344	G336-F340 WeakPolarHBondContact O-CB 3.32Å; G336-F340 PolarHBondContact O-N 3.28Å; F340-L343 HydrophobicContact CD2-CD2 4.27Å; F340-L343 WeakPolarHBondContact O-CB 3.06Å; F340-L343 PolarHBondContact O-N 2.92Å; F340-V344 HydrophobicContact CD1-CG2 4.21Å; F340-V344 HydrophobicContact CE1-CG2 3.8Å; F340-V344 HydrophobicContact CE2-CG2 4.43Å; F340-V344 HydrophobicContact CZ-CG2 3.92Å; F340-V344 WeakPolarHBondContact O-CG2 3.4Å; F340-V344 PolarHBondContact O-N 3.05Å
341	A	89.9	Confident	88.6	Confident	61 Å²	61	57.3 Å²	57.3	50%	0.504	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-45	174.9	0	0	0	0	0	112.4	V337 L338 I339 L343 G345	V337-A341 VanDerWaalsContact O-CB 3.24Å; V337-A341 WeakPolarHBondContact O-CB 3.44Å; V337-A341 PolarHBondContact O-N 3.48Å; L338-A341 PolarHBondContact O-N 3.05Å; I339-A341 PolarHBondContact O-N 3.22Å; A341-L343 VanDerWaalsContact C-N 3.3Å; A341-L343 PolarHBondContact O-N 3.03Å; A341-G345 PolarHBondContact O-N 3.36Å
342	T	85.3	Confident	88.4	Confident	65 Å²	65	58.5 Å²	58.5	40%	0.399	34%	0.34	S	S	.	.	H	α-helix	trans	-65	-35.8	177	60.3	0	0	0	0	112.1	L338 I339 N346	L338-T342 WeakPolarHBondContact O-CG2 3.35Å; L338-T342 PolarHBondContact O-N 3.25Å; L338-T342 PolarHBondContact O-OG1 3.38Å; I339-T342 PolarHBondContact O-N 2.59Å; I339-T342 PolarHBondContact O-OG1 3.5Å; T342-N346 WeakPolarHBondContact O-CB 3.37Å; T342-N346 PolarHBondContact O-N 3.2Å; T342-N346 PolarHBondContact O-ND2 2.81Å
343	L	85	Confident	87.9	Confident	28 Å²	28	62.6 Å²	62.6	15%	0.147	36%	0.362	C	S	.	.	H	α-helix	trans	-60.9	-56.2	175.7	171.9	58.7	0	0	0	112	L256 I260 I339 F340 A341 G345 N346 I347	L256-L343 HydrophobicContact CD1-CD1 3.82Å; L256-L343 HydrophobicContact CD2-CD1 3.11Å; L256-L343 HydrophobicContact CG-CD1 3.7Å; I260-L343 HydrophobicContact CD1-CD1 3.53Å; I260-L343 HydrophobicContact CD1-CD2 3.46Å; I260-L343 VanDerWaalsContact CD1-CD2 3.46Å; I260-L343 HydrophobicContact CD1-CG 4.07Å; I260-L343 HydrophobicContact CG1-CD2 4.4Å; I339-L343 WeakPolarHBondContact O-CB 3.3Å; I339-L343 PolarHBondContact O-N 3.02Å; F340-L343 HydrophobicContact CD2-CD2 4.27Å; F340-L343 WeakPolarHBondContact O-CB 3.06Å; F340-L343 PolarHBondContact O-N 2.92Å; A341-L343 VanDerWaalsContact C-N 3.3Å; A341-L343 PolarHBondContact O-N 3.03Å; L343-G345 VanDerWaalsContact C-N 3.26Å; L343-G345 PolarHBondContact O-N 3.45Å; L343-N346 PolarHBondContact O-N 3.33Å; L343-N346 VanDerWaalsContact O-N 3.17Å; L343-I347 HydrophobicContact CD1-CD1 3.56Å; L343-I347 HydrophobicContact CD1-CG1 4.07Å; L343-I347 HydrophobicContact CG-CD1 3.98Å; L343-I347 WeakPolarHBondContact O-CG1 3.39Å; L343-I347 PolarHBondContact O-N 3.3Å
344	V	86.4	Confident	87.5	Confident	79 Å²	79	65 Å²	65	48%	0.479	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-39.4	-179.6	174.5	0	0	0	0	110.5	F340 G348	F340-V344 HydrophobicContact CD1-CG2 4.21Å; F340-V344 HydrophobicContact CE1-CG2 3.8Å; F340-V344 HydrophobicContact CE2-CG2 4.43Å; F340-V344 HydrophobicContact CZ-CG2 3.92Å; F340-V344 WeakPolarHBondContact O-CG2 3.4Å; F340-V344 PolarHBondContact O-N 3.05Å; V344-G348 PolarHBondContact O-N 3.2Å
345	G	87.8	Confident	87.2	Confident	38 Å²	38	63 Å²	63	39%	0.392	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-46.1	174.3	0	0	0	0	0	113.2	A341 L343 G348 S349	A341-G345 PolarHBondContact O-N 3.36Å; L343-G345 VanDerWaalsContact C-N 3.26Å; L343-G345 PolarHBondContact O-N 3.45Å; G345-G348 PolarHBondContact O-N 3.03Å; G345-S349 WeakPolarHBondContact O-CB 3.41Å; G345-S349 PolarHBondContact O-N 2.93Å
346	N	83.5	Confident	87	Confident	38 Å²	38	61.6 Å²	61.6	20%	0.203	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-44.3	178.8	-75.8	-27.8	0	0	0	112.1	L256 T342 L343 S349 M350	L256-N346 HydrophobicContact CD1-CB 3.69Å; T342-N346 WeakPolarHBondContact O-CB 3.37Å; T342-N346 PolarHBondContact O-N 3.2Å; T342-N346 PolarHBondContact O-ND2 2.81Å; L343-N346 PolarHBondContact O-N 3.33Å; L343-N346 VanDerWaalsContact O-N 3.17Å; N346-S349 PolarHBondContact O-N 2.95Å; N346-S349 PolarHBondContact O-OG 3.23Å; N346-M350 PolarHBondContact O-N 2.91Å
347	I	87.6	Confident	86.6	Confident	56 Å²	56	64.5 Å²	64.5	29%	0.287	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-45.4	176.1	-66.8	171.8	0	0	0	110.4	L253 L256 L343 S349 M350 I351	L253-I347 HydrophobicContact CD1-CG1 4.33Å; L256-I347 HydrophobicContact CD2-CD1 4.41Å; L256-I347 HydrophobicContact CD2-CG1 4.35Å; L343-I347 HydrophobicContact CD1-CD1 3.56Å; L343-I347 HydrophobicContact CD1-CG1 4.07Å; L343-I347 HydrophobicContact CG-CD1 3.98Å; L343-I347 WeakPolarHBondContact O-CG1 3.39Å; L343-I347 PolarHBondContact O-N 3.3Å; I347-S349 PolarHBondContact O-N 3.19Å; I347-M350 WeakPolarHBondContact O-CB 3.33Å; I347-M350 PolarHBondContact O-N 2.91Å; I347-M350 VanDerWaalsContact O-N 3.16Å; I347-I351 HydrophobicContact CG2-CD1 3.92Å; I347-I351 HydrophobicContact CG2-CG1 4.48Å; I347-I351 WeakPolarHBondContact O-CG1 3.47Å; I347-I351 PolarHBondContact O-N 3.5Å
348	G	88.3	Confident	86.4	Confident	34 Å²	34	67.5 Å²	67.5	35%	0.351	39%	0.394	S	S	.	.	H	α-helix	trans	-60.5	-41.7	177.2	0	0	0	0	0	113.1	V344 G345 M350 I351 T352	V344-G348 PolarHBondContact O-N 3.2Å; G345-G348 PolarHBondContact O-N 3.03Å; G348-M350 VanDerWaalsContact C-N 3.31Å; G348-M350 PolarHBondContact O-N 3.08Å; G348-I351 PolarHBondContact O-N 3.19Å; G348-T352 PolarHBondContact O-N 2.73Å; G348-T352 VanDerWaalsContact O-N 3.11Å; G348-T352 PolarHBondContact O-OG1 3.07Å
349	S	86.1	Confident	86.3	Confident	42 Å²	42	65.6 Å²	65.6	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-38	175.4	80.9	0	0	0	0	112.2	G345 N346 I347 T352 N353	G345-S349 WeakPolarHBondContact O-CB 3.41Å; G345-S349 PolarHBondContact O-N 2.93Å; N346-S349 PolarHBondContact O-N 2.95Å; N346-S349 PolarHBondContact O-OG 3.23Å; I347-S349 PolarHBondContact O-N 3.19Å; S349-T352 PolarHBondContact O-N 3.33Å; S349-N353 VanDerWaalsContact O-CG 3.29Å; S349-N353 PolarHBondContact O-N 3.32Å; S349-N353 PolarHBondContact O-ND2 3.45Å
350	M	83.5	Confident	86.3	Confident	8 Å²	8	68.6 Å²	68.6	4%	0.039	40%	0.401	C	S	.	.	H	α-helix	trans	-68.4	-45.8	179.2	-173.8	-170.2	-61.6	0	0	111.7	N249 R252 L253 N346 I347 G348 T352 N353 M354	N249-M350 HydrophobicContact CB-CG 3.98Å; N249-M350 HydrophobicContact CB-SD 4.16Å; R252-M350 HydrophobicContact CB-CE 3.76Å; R252-M350 HydrophobicContact CG-CE 3.75Å; L253-M350 HydrophobicContact CB-CE 4.03Å; L253-M350 HydrophobicContact CB-SD 3.98Å; N346-M350 PolarHBondContact O-N 2.91Å; I347-M350 WeakPolarHBondContact O-CB 3.33Å; I347-M350 PolarHBondContact O-N 2.91Å; I347-M350 VanDerWaalsContact O-N 3.16Å; G348-M350 VanDerWaalsContact C-N 3.31Å; G348-M350 PolarHBondContact O-N 3.08Å; M350-T352 PolarHBondContact O-N 2.84Å; M350-N353 PolarHBondContact O-N 3.11Å; M350-M354 HydrophobicContact CG-SD 4.24Å; M350-M354 WeakPolarHBondContact O-CG 3.48Å; M350-M354 PolarHBondContact O-N 3.45Å
351	I	87.5	Confident	86.3	Confident	92 Å²	92	65.8 Å²	65.8	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-58.8	-40.7	176.1	-67.8	169.2	0	0	0	110.5	I347 G348 M354 N355	I347-I351 HydrophobicContact CG2-CD1 3.92Å; I347-I351 HydrophobicContact CG2-CG1 4.48Å; I347-I351 WeakPolarHBondContact O-CG1 3.47Å; I347-I351 PolarHBondContact O-N 3.5Å; G348-I351 PolarHBondContact O-N 3.19Å; I351-M354 PolarHBondContact O-N 3.13Å; I351-N355 PolarHBondContact O-N 3.36Å; I351-N355 VanDerWaalsContact O-N 3.13Å; I351-N355 PolarHBondContact O-ND2 3.29Å
352	T	88.6	Confident	86.3	Confident	96 Å²	96	67.1 Å²	67.1	59%	0.589	38%	0.384	S	S	*	.	H	α-helix	trans	-64.1	-44.7	177.2	-55.9	0	0	0	0	111.4	G348 S349 M350 N355 A356	G348-T352 PolarHBondContact O-N 2.73Å; G348-T352 VanDerWaalsContact O-N 3.11Å; G348-T352 PolarHBondContact O-OG1 3.07Å; S349-T352 PolarHBondContact O-N 3.33Å; M350-T352 PolarHBondContact O-N 2.84Å; T352-N355 PolarHBondContact O-N 3.49Å; T352-A356 PolarHBondContact O-N 2.94Å; T352-A356 VanDerWaalsContact O-N 3.09Å
353	N	83	Confident	86.6	Confident	94 Å²	94	67.3 Å²	67.3	50%	0.503	39%	0.388	S	S	.	.	H	α-helix	trans	-66.6	-39.3	178.1	-72.3	-26.8	0	0	0	112.6	S349 M350 N355 A356	S349-N353 VanDerWaalsContact O-CG 3.29Å; S349-N353 PolarHBondContact O-N 3.32Å; S349-N353 PolarHBondContact O-ND2 3.45Å; M350-N353 PolarHBondContact O-N 3.11Å; N353-N355 VanDerWaalsContact C-N 3.29Å; N353-N355 PolarHBondContact O-N 3.2Å; N353-A356 VanDerWaalsContact O-CB 3.32Å; N353-A356 WeakPolarHBondContact O-CB 3.33Å; N353-A356 PolarHBondContact O-N 3.39Å
354	M	83.1	Confident	86.8	Confident	116 Å²	116	72.8 Å²	72.8	57%	0.571	41%	0.407	S	S	*	.	H	α-helix	trans	-61.9	-38.3	176.1	-76.1	177.9	65	0	0	112.2	N249 M350 I351	N249-M354 HydrophobicContact CB-CG 3.87Å; N249-M354 HydrophobicContact CB-SD 3.83Å; N249-M354 VanDerWaalsContact ND2-CG 3.27Å; N249-M354 WeakPolarHBondContact ND2-CG 3.03Å; M350-M354 HydrophobicContact CG-SD 4.24Å; M350-M354 WeakPolarHBondContact O-CG 3.48Å; M350-M354 PolarHBondContact O-N 3.45Å; I351-M354 PolarHBondContact O-N 3.13Å
355	N	87	Confident	87	Confident	72 Å²	72	69.6 Å²	69.6	39%	0.385	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.1	-179.4	-71.1	-43.8	0	0	0	113.7	I351 T352 N353 A357 R358 T359	I351-N355 PolarHBondContact O-N 3.36Å; I351-N355 VanDerWaalsContact O-N 3.13Å; I351-N355 PolarHBondContact O-ND2 3.29Å; T352-N355 PolarHBondContact O-N 3.49Å; N353-N355 VanDerWaalsContact C-N 3.29Å; N353-N355 PolarHBondContact O-N 3.2Å; N355-A357 PolarHBondContact O-N 2.9Å; N355-R358 PolarHBondContact O-N 2.99Å; N355-R358 VanDerWaalsContact O-N 3.07Å; N355-T359 PolarHBondContact O-N 3.32Å; N355-T359 PolarHBondContact O-OG1 2.92Å; N355-T359 VanDerWaalsContact O-OG1 3.07Å
356	A	87.3	Confident	87.3	Confident	50 Å²	50	72.1 Å²	72.1	41%	0.413	39%	0.392	S	S	.	.	H	α-helix	trans	-54.8	-47.5	-171.9	0	0	0	0	0	113.4	T352 N353 R358 T359 E360	T352-A356 PolarHBondContact O-N 2.94Å; T352-A356 VanDerWaalsContact O-N 3.09Å; N353-A356 VanDerWaalsContact O-CB 3.32Å; N353-A356 WeakPolarHBondContact O-CB 3.33Å; N353-A356 PolarHBondContact O-N 3.39Å; A356-R358 VanDerWaalsContact C-N 3.33Å; A356-R358 PolarHBondContact O-N 3.06Å; A356-T359 PolarHBondContact O-N 2.97Å; A356-E360 WeakPolarHBondContact O-CB 3.4Å; A356-E360 PolarHBondContact O-N 3.44Å
357	A	83.7	Confident	87.8	Confident	61 Å²	61	73.5 Å²	73.5	50%	0.504	40%	0.404	S	S	.	.	H	α-helix	trans	-64.5	-36.4	179.8	0	0	0	0	0	112.8	N355 F361	N355-A357 PolarHBondContact O-N 2.9Å; A357-F361 PolarHBondContact O-N 2.83Å; A357-F361 VanDerWaalsContact O-N 3.08Å
358	R	86.1	Confident	88.1	Confident	141 Å²	141	73.1 Å²	73.1	53%	0.532	40%	0.402	S	S	.	.	H	α-helix	trans	-69.6	-45.1	176.4	-176.9	177.4	-179.2	171.4	2.6	111	N355 A356 E360 F361 Q362 W393	N355-R358 PolarHBondContact O-N 2.99Å; N355-R358 VanDerWaalsContact O-N 3.07Å; A356-R358 VanDerWaalsContact C-N 3.33Å; A356-R358 PolarHBondContact O-N 3.06Å; R358-E360 VanDerWaalsContact C-N 3.31Å; R358-E360 PolarHBondContact O-N 3.36Å; R358-F361 PolarHBondContact O-N 2.97Å; R358-Q362 HydrophobicContact CG-CG 4.49Å; R358-Q362 WeakPolarHBondContact O-CB 3.4Å; R358-Q362 WeakPolarHBondContact O-CG 3.24Å; R358-Q362 PolarHBondContact O-N 3.16Å; R358-W393 HydrophobicContact CB-CH2 4.07Å; R358-W393 HydrophobicContact CB-CZ2 4.17Å; R358-W393 HydrophobicContact CG-CZ2 4.23Å
359	T	88.8	Confident	88.3	Confident	80 Å²	80	75.2 Å²	75.2	49%	0.491	40%	0.402	S	S	.	.	H	α-helix	trans	-61.5	-40.6	176.7	-56.7	0	0	0	0	111.2	N355 A356 Q362 S363	N355-T359 PolarHBondContact O-N 3.32Å; N355-T359 PolarHBondContact O-OG1 2.92Å; N355-T359 VanDerWaalsContact O-OG1 3.07Å; A356-T359 PolarHBondContact O-N 2.97Å; T359-Q362 PolarHBondContact O-N 3.45Å; T359-S363 VanDerWaalsContact O-CB 3.24Å; T359-S363 WeakPolarHBondContact O-CB 3.47Å; T359-S363 PolarHBondContact O-N 3.46Å
360	E	87.6	Confident	88.7	Confident	105 Å²	105	79.7 Å²	79.7	49%	0.491	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-46.2	176	-173.8	-179	175.7	0	0	111.9	A356 R358 S363 R364	A356-E360 WeakPolarHBondContact O-CB 3.4Å; A356-E360 PolarHBondContact O-N 3.44Å; R358-E360 VanDerWaalsContact C-N 3.31Å; R358-E360 PolarHBondContact O-N 3.36Å; E360-S363 PolarHBondContact O-N 2.92Å; E360-R364 WeakPolarHBondContact O-CG 3.26Å; E360-R364 PolarHBondContact O-N 3.34Å; E360-R364 IonicContact OE1-CZ 3.72Å; E360-R364 IonicContact OE1-NE 3.15Å; E360-R364 IonicContact OE1-NH2 3.63Å; E360-R364 PolarHBondContact OE1-NH2 3.31Å
361	F	86.7	Confident	89.3	Confident	26 Å²	26	85 Å²	85	11%	0.114	44%	0.441	C	S	.	.	H	α-helix	trans	-62	-45.4	176.8	177.7	-95.9	0	0	0	112.2	A357 R358 S363 R364 M365 F389 W393 L399	A357-F361 PolarHBondContact O-N 2.83Å; A357-F361 VanDerWaalsContact O-N 3.08Å; R358-F361 PolarHBondContact O-N 2.97Å; F361-S363 PolarHBondContact O-N 3.3Å; F361-R364 PolarHBondContact O-N 3.25Å; F361-M365 HydrophobicContact CE1-CE 4.16Å; F361-M365 HydrophobicContact CZ-CE 4.01Å; F361-M365 PolarHBondContact O-N 3.13Å; F361-F389 AromaticContact CE2-CD1 3.99Å; F361-F389 HydrophobicContact CE2-CD1 3.99Å; F361-F389 HydrophobicContact CZ-CB 4.23Å; F361-F389 HydrophobicContact CZ-CD1 4.27Å; F361-F389 WeakPolarHBondContact CZ-O 3.21Å; F361-W393 HydrophobicContact CB-CD2 4.43Å; F361-W393 HydrophobicContact CB-CE3 3.5Å; F361-W393 HydrophobicContact CB-CH2 4.16Å; F361-W393 HydrophobicContact CB-CZ3 3.34Å; F361-W393 HydrophobicContact CD1-CB 4.38Å; F361-W393 AromaticContact CD1-CD2 3.77Å; F361-W393 HydrophobicContact CD1-CD2 3.77Å; F361-W393 AromaticContact CD1-CE3 3.6Å; F361-W393 HydrophobicContact CD1-CE3 3.6Å; F361-W393 HydrophobicContact CD1-CG 4.1Å; F361-W393 HydrophobicContact CD1-CZ3 4.22Å; F361-W393 HydrophobicContact CD2-CB 4.36Å; F361-W393 HydrophobicContact CD2-CD2 4.23Å; F361-W393 AromaticContact CD2-CE3 3.46Å; F361-W393 HydrophobicContact CD2-CE3 3.46Å; F361-W393 VanDerWaalsContact CD2-CE3 3.46Å; F361-W393 HydrophobicContact CD2-CZ3 4.15Å; F361-W393 HydrophobicContact CE1-CB 3.8Å; F361-W393 HydrophobicContact CE1-CD2 4.07Å; F361-W393 HydrophobicContact CE1-CE3 4.2Å; F361-W393 AromaticContact CE1-CG 3.88Å; F361-W393 HydrophobicContact CE1-CG 3.88Å; F361-W393 HydrophobicContact CE2-CB 3.77Å; F361-W393 HydrophobicContact CE2-CD2 4.49Å; F361-W393 HydrophobicContact CE2-CE3 4.06Å; F361-W393 HydrophobicContact CE2-CG 4.41Å; F361-W393 AromaticContact CG-CD2 3.87Å; F361-W393 HydrophobicContact CG-CD2 3.87Å; F361-W393 AromaticContact CG-CE3 3.2Å; F361-W393 HydrophobicContact CG-CE3 3.2Å; F361-W393 HydrophobicContact CG-CG 4.47Å; F361-W393 AromaticContact CG-CZ3 3.65Å; F361-W393 HydrophobicContact CG-CZ3 3.65Å; F361-W393 HydrophobicContact CZ-CB 3.48Å; F361-W393 VanDerWaalsContact CZ-CB 3.48Å; F361-W393 HydrophobicContact CZ-CD2 4.43Å; F361-W393 HydrophobicContact CZ-CE3 4.42Å; F361-W393 HydrophobicContact CZ-CG 4.07Å; F361-L399 HydrophobicContact CD2-CD2 4.49Å
362	Q	89.3	Confident	89.7	Confident	88 Å²	88	81 Å²	81	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-60.4	-44.6	176.3	-75.1	178.7	-27	0	0	111.5	R358 T359 R364 M365 D366	R358-Q362 HydrophobicContact CG-CG 4.49Å; R358-Q362 WeakPolarHBondContact O-CB 3.4Å; R358-Q362 WeakPolarHBondContact O-CG 3.24Å; R358-Q362 PolarHBondContact O-N 3.16Å; T359-Q362 PolarHBondContact O-N 3.45Å; Q362-R364 VanDerWaalsContact C-N 3.32Å; Q362-R364 PolarHBondContact O-N 3.38Å; Q362-M365 WeakPolarHBondContact O-CB 3.35Å; Q362-M365 PolarHBondContact O-N 2.89Å; Q362-M365 VanDerWaalsContact O-N 3.14Å; Q362-D366 WeakPolarHBondContact O-CB 3.15Å; Q362-D366 VanDerWaalsContact O-CG 3.23Å; Q362-D366 PolarHBondContact O-N 2.91Å
363	S	91.5	Very high	89.9	Confident	70 Å²	70	82.8 Å²	82.8	49%	0.49	42%	0.422	S	S	.	.	H	α-helix	trans	-58.2	-41	176.1	-176.7	0	0	0	0	112.8	T359 E360 F361 S367	T359-S363 VanDerWaalsContact O-CB 3.24Å; T359-S363 WeakPolarHBondContact O-CB 3.47Å; T359-S363 PolarHBondContact O-N 3.46Å; E360-S363 PolarHBondContact O-N 2.92Å; F361-S363 PolarHBondContact O-N 3.3Å; S363-S367 PolarHBondContact O-N 3.07Å; S363-S367 VanDerWaalsContact O-N 3.11Å; S363-S367 PolarHBondContact O-OG 3.29Å
364	R	90.1	Very high	90.5	Very high	142 Å²	142	82.2 Å²	82.2	54%	0.536	43%	0.425	S	S	.	.	H	α-helix	trans	-66.7	-44.4	173.9	-68.3	179.1	-173	-160.4	3.8	112	E360 F361 Q362 S367 I368	E360-R364 WeakPolarHBondContact O-CG 3.26Å; E360-R364 PolarHBondContact O-N 3.34Å; E360-R364 IonicContact OE1-CZ 3.72Å; E360-R364 IonicContact OE1-NE 3.15Å; E360-R364 IonicContact OE1-NH2 3.63Å; E360-R364 PolarHBondContact OE1-NH2 3.31Å; F361-R364 PolarHBondContact O-N 3.25Å; Q362-R364 VanDerWaalsContact C-N 3.32Å; Q362-R364 PolarHBondContact O-N 3.38Å; R364-S367 WeakPolarHBondContact O-CB 3.42Å; R364-S367 PolarHBondContact O-N 3.49Å; R364-I368 WeakPolarHBondContact O-CG1 3.45Å; R364-I368 PolarHBondContact O-N 2.92Å; R364-I368 VanDerWaalsContact O-N 3.12Å
365	M	89.8	Confident	91.2	Very high	12 Å²	12	82.2 Å²	82.2	6%	0.059	42%	0.424	C	S	.	.	H	α-helix	trans	-59.3	-46.6	176.8	176.4	69.6	80.4	0	0	111.5	F361 Q362 S367 I368 K369 I386 F389	F361-M365 HydrophobicContact CE1-CE 4.16Å; F361-M365 HydrophobicContact CZ-CE 4.01Å; F361-M365 PolarHBondContact O-N 3.13Å; Q362-M365 WeakPolarHBondContact O-CB 3.35Å; Q362-M365 PolarHBondContact O-N 2.89Å; Q362-M365 VanDerWaalsContact O-N 3.14Å; M365-S367 VanDerWaalsContact C-N 3.32Å; M365-S367 PolarHBondContact O-N 3.44Å; M365-I368 PolarHBondContact O-N 2.73Å; M365-I368 VanDerWaalsContact O-N 3.15Å; M365-K369 HydrophobicContact CG-CD 4.26Å; M365-K369 WeakPolarHBondContact O-CG 3.46Å; M365-K369 PolarHBondContact O-N 3.32Å; M365-I386 HydrophobicContact CE-CG2 4.46Å; M365-I386 HydrophobicContact SD-CG1 4.36Å; M365-F389 HydrophobicContact CE-CB 3.31Å; M365-F389 HydrophobicContact CE-CG 4.08Å; M365-F389 HydrophobicContact SD-CB 4.22Å
366	D	93.5	Very high	91.5	Very high	92 Å²	92	87.9 Å²	87.9	49%	0.492	45%	0.445	S	S	.	.	H	α-helix	trans	-64.4	-38.9	-179.6	-66.5	-19.7	0	0	0	111.3	Q362 I368 K369 Q370	Q362-D366 WeakPolarHBondContact O-CB 3.15Å; Q362-D366 VanDerWaalsContact O-CG 3.23Å; Q362-D366 PolarHBondContact O-N 2.91Å; D366-I368 VanDerWaalsContact C-N 3.29Å; D366-I368 PolarHBondContact O-N 3.27Å; D366-K369 PolarHBondContact O-N 3.47Å; D366-Q370 WeakPolarHBondContact O-CB 3.25Å; D366-Q370 PolarHBondContact O-N 2.99Å
367	S	94.5	Very high	91.9	Very high	67 Å²	67	87.2 Å²	87.2	47%	0.469	44%	0.436	S	S	.	.	H	α-helix	trans	-60	-39.2	174	-56.9	0	0	0	0	112.1	S363 R364 M365 F371	S363-S367 PolarHBondContact O-N 3.07Å; S363-S367 VanDerWaalsContact O-N 3.11Å; S363-S367 PolarHBondContact O-OG 3.29Å; R364-S367 WeakPolarHBondContact O-CB 3.42Å; R364-S367 PolarHBondContact O-N 3.49Å; M365-S367 VanDerWaalsContact C-N 3.32Å; M365-S367 PolarHBondContact O-N 3.44Å; S367-F371 WeakPolarHBondContact O-CB 3.49Å; S367-F371 PolarHBondContact O-N 3.49Å
368	I	93.3	Very high	92.5	Very high	48 Å²	48	89 Å²	89	25%	0.246	44%	0.437	C	S	.	.	H	α-helix	trans	-74.2	-39.3	179.3	-67.1	171.2	0	0	0	111.2	R364 M365 D366 F371 M372 V385 F389	R364-I368 WeakPolarHBondContact O-CG1 3.45Å; R364-I368 PolarHBondContact O-N 2.92Å; R364-I368 VanDerWaalsContact O-N 3.12Å; M365-I368 PolarHBondContact O-N 2.73Å; M365-I368 VanDerWaalsContact O-N 3.15Å; D366-I368 VanDerWaalsContact C-N 3.29Å; D366-I368 PolarHBondContact O-N 3.27Å; I368-F371 WeakPolarHBondContact O-CB 3.37Å; I368-F371 PolarHBondContact O-N 2.68Å; I368-M372 HydrophobicContact CG2-CE 4.14Å; I368-M372 HydrophobicContact CG2-SD 4.38Å; I368-M372 WeakPolarHBondContact O-CG 3.07Å; I368-M372 PolarHBondContact O-N 3.18Å; I368-V385 HydrophobicContact CG2-CG1 3.9Å; I368-F389 HydrophobicContact CD1-CD2 4.29Å; I368-F389 HydrophobicContact CD1-CE1 3.77Å; I368-F389 HydrophobicContact CD1-CE2 3.33Å; I368-F389 HydrophobicContact CD1-CZ 3.02Å; I368-F389 HydrophobicContact CG2-CE2 4.49Å
369	K	93.9	Very high	92.9	Very high	77 Å²	77	92 Å²	92	34%	0.335	45%	0.448	S	S	.	.	H	α-helix	trans	-59	-47.6	172.3	-72.3	174.7	179.5	172.6	0	111	M365 D366 F371 M372 E373	M365-K369 HydrophobicContact CG-CD 4.26Å; M365-K369 WeakPolarHBondContact O-CG 3.46Å; M365-K369 PolarHBondContact O-N 3.32Å; D366-K369 PolarHBondContact O-N 3.47Å; K369-F371 VanDerWaalsContact C-N 3.3Å; K369-F371 PolarHBondContact O-N 2.91Å; K369-M372 HydrophobicContact CG-CE 4.34Å; K369-M372 PolarHBondContact O-N 3.43Å; K369-M372 VanDerWaalsContact O-N 3.15Å; K369-E373 WeakPolarHBondContact O-CG 3.26Å; K369-E373 PolarHBondContact O-N 2.67Å
370	Q	95	Very high	93.1	Very high	137 Å²	137	94.2 Å²	94.2	64%	0.64	46%	0.457	S	S	*	.	H	α-helix	trans	-60.1	-39.1	176.1	-170.7	178.9	23.7	0	0	112.2	D366 S374	D366-Q370 WeakPolarHBondContact O-CB 3.25Å; D366-Q370 PolarHBondContact O-N 2.99Å; Q370-S374 WeakPolarHBondContact O-CB 3.48Å; Q370-S374 PolarHBondContact O-N 2.79Å; Q370-S374 PolarHBondContact O-OG 2.97Å
371	F	95.6	Very high	93.4	Very high	118 Å²	118	93 Å²	93	52%	0.518	45%	0.453	S	S	.	.	H	α-helix	trans	-62.5	-46.3	174.2	178.8	-93.3	0	0	0	112	S367 I368 K369 S374 H375	S367-F371 WeakPolarHBondContact O-CB 3.49Å; S367-F371 PolarHBondContact O-N 3.49Å; I368-F371 WeakPolarHBondContact O-CB 3.37Å; I368-F371 PolarHBondContact O-N 2.68Å; K369-F371 VanDerWaalsContact C-N 3.3Å; K369-F371 PolarHBondContact O-N 2.91Å; F371-S374 WeakPolarHBondContact CA-OG 3.5Å; F371-S374 PolarHBondContact O-N 2.72Å; F371-S374 PolarHBondContact O-OG 3.45Å; F371-H375 AromaticContact CD2-CE1 3.67Å; F371-H375 AromaticContact CD2-ND1 3.78Å; F371-H375 AromaticContact CE2-CE1 3.35Å; F371-H375 WeakPolarHBondContact CE2-CE1 3.11Å; F371-H375 AromaticContact CE2-ND1 3.68Å; F371-H375 AromaticContact CE2-NE2 3.85Å; F371-H375 AromaticContact CZ-CE1 3.94Å; F371-H375 AromaticContact CZ-ND1 3.98Å; F371-H375 PolarHBondContact O-N 3.22Å; F371-H375 VanDerWaalsContact O-N 3.14Å; F371-H375 PolarHBondContact O-ND1 3.19Å
372	M	95.8	Very high	93.7	Very high	8 Å²	8	94 Å²	94	4%	0.039	46%	0.458	C	S	.	.	H	α-helix	trans	-65.9	-38.8	179.3	-69.6	-173.8	-57.6	0	0	112.7	I368 K369 K376 V377 Q382 V385 I386	I368-M372 HydrophobicContact CG2-CE 4.14Å; I368-M372 HydrophobicContact CG2-SD 4.38Å; I368-M372 WeakPolarHBondContact O-CG 3.07Å; I368-M372 PolarHBondContact O-N 3.18Å; K369-M372 HydrophobicContact CG-CE 4.34Å; K369-M372 PolarHBondContact O-N 3.43Å; K369-M372 VanDerWaalsContact O-N 3.15Å; M372-K376 PolarHBondContact O-N 2.87Å; M372-K376 VanDerWaalsContact O-N 3.13Å; M372-V377 HydrophobicContact CB-CB 4.07Å; M372-V377 HydrophobicContact CB-CG2 4.15Å; M372-V377 HydrophobicContact CG-CB 4.34Å; M372-V377 HydrophobicContact CG-CG2 4.24Å; M372-V377 PolarHBondContact O-N 3.32Å; M372-Q382 HydrophobicContact CB-CG 4Å; M372-Q382 HydrophobicContact CE-CB 4.21Å; M372-Q382 HydrophobicContact CE-CG 4.25Å; M372-Q382 HydrophobicContact CG-CG 4.44Å; M372-Q382 HydrophobicContact SD-CB 4.12Å; M372-Q382 HydrophobicContact SD-CG 3.88Å; M372-V385 HydrophobicContact CE-CG1 4.33Å; M372-V385 HydrophobicContact SD-CB 3.92Å; M372-V385 HydrophobicContact SD-CG1 3.99Å; M372-V385 HydrophobicContact SD-CG2 4.14Å; M372-I386 HydrophobicContact CE-CG1 4.33Å
373	E	93.6	Very high	93.9	Very high	135 Å²	135	97 Å²	97	63%	0.631	47%	0.47	S	S	*	.	H	α-helix	trans	-66.1	-47.6	176.4	-74.1	176.5	-175.5	0	0	111.8	K369 H375 K376	K369-E373 WeakPolarHBondContact O-CG 3.26Å; K369-E373 PolarHBondContact O-N 2.67Å; E373-H375 VanDerWaalsContact C-N 3.27Å; E373-H375 PolarHBondContact O-N 2.7Å; E373-K376 PolarHBondContact O-N 2.97Å; E373-K376 VanDerWaalsContact O-N 3.12Å
374	S	95.6	Very high	94	Very high	81 Å²	81	100 Å²	100	57%	0.566	47%	0.471	S	S	*	.	H	α-helix	trans	-62.7	-32.3	179.4	55.2	0	0	0	0	113.3	Q370 F371	Q370-S374 WeakPolarHBondContact O-CB 3.48Å; Q370-S374 PolarHBondContact O-N 2.79Å; Q370-S374 PolarHBondContact O-OG 2.97Å; F371-S374 WeakPolarHBondContact CA-OG 3.5Å; F371-S374 PolarHBondContact O-N 2.72Å; F371-S374 PolarHBondContact O-OG 3.45Å
375	H	96	Very high	94.2	Very high	117 Å²	117	95.1 Å²	95.1	54%	0.542	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	5.9	178.2	-66.6	74	0	0	0	113.5	F371 E373 V377	F371-H375 AromaticContact CD2-CE1 3.67Å; F371-H375 AromaticContact CD2-ND1 3.78Å; F371-H375 AromaticContact CE2-CE1 3.35Å; F371-H375 WeakPolarHBondContact CE2-CE1 3.11Å; F371-H375 AromaticContact CE2-ND1 3.68Å; F371-H375 AromaticContact CE2-NE2 3.85Å; F371-H375 AromaticContact CZ-CE1 3.94Å; F371-H375 AromaticContact CZ-ND1 3.98Å; F371-H375 PolarHBondContact O-N 3.22Å; F371-H375 VanDerWaalsContact O-N 3.14Å; F371-H375 PolarHBondContact O-ND1 3.19Å; E373-H375 VanDerWaalsContact C-N 3.27Å; E373-H375 PolarHBondContact O-N 2.7Å; H375-V377 HydrophobicContact CB-CG2 4.16Å; H375-V377 PolarHBondContact O-N 3.47Å
376	K	94.9	Very high	94.3	Very high	191 Å²	191	96.9 Å²	96.9	83%	0.83	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	42.2	-179.7	-57.7	179.7	-178.9	178.6	0	112.7	M372 E373	M372-K376 PolarHBondContact O-N 2.87Å; M372-K376 VanDerWaalsContact O-N 3.13Å; E373-K376 PolarHBondContact O-N 2.97Å; E373-K376 VanDerWaalsContact O-N 3.12Å
377	V	95.4	Very high	94.2	Very high	35 Å²	35	95.4 Å²	95.4	21%	0.212	46%	0.46	C	S	.	.			trans	-61	140.2	178.2	176.8	0	0	0	0	109.6	M372 H375 L381 Q382	M372-V377 HydrophobicContact CB-CB 4.07Å; M372-V377 HydrophobicContact CB-CG2 4.15Å; M372-V377 HydrophobicContact CG-CB 4.34Å; M372-V377 HydrophobicContact CG-CG2 4.24Å; M372-V377 PolarHBondContact O-N 3.32Å; H375-V377 HydrophobicContact CB-CG2 4.16Å; H375-V377 PolarHBondContact O-N 3.47Å; V377-L381 HydrophobicContact CG1-CB 3.93Å; V377-L381 HydrophobicContact CG1-CD2 3.72Å; V377-L381 HydrophobicContact CG1-CG 3.89Å; V377-Q382 HydrophobicContact CB-CG 4.2Å; V377-Q382 HydrophobicContact CG1-CG 4.12Å; V377-Q382 PolarHBondContact O-NE2 2.99Å
378	D	95.7	Very high	94	Very high	98 Å²	98	95.7 Å²	95.7	52%	0.524	45%	0.451	S	S	.	.			trans	-55.8	142.8	179.5	179.3	63.1	0	0	0	113	D380 L381 Q382	D378-D380 VanDerWaalsContact C-N 3.28Å; D378-D380 PolarHBondContact O-N 3.38Å; D378-D380 WeakPolarHBondContact OD2-CB 2.91Å; D378-D380 PolarHBondContact OD2-N 2.87Å; D378-L381 PolarHBondContact O-N 3.32Å; D378-L381 VanDerWaalsContact O-N 3.14Å; D378-Q382 WeakPolarHBondContact O-CG 3.4Å; D378-Q382 PolarHBondContact O-N 3.42Å
379	R	94	Very high	93.8	Very high	206 Å²	206	95.3 Å²	95.3	78%	0.777	45%	0.447	S	S	*	.	H	α-helix	trans	-63	-32.8	-172.9	-70.3	-174	178.5	-176.3	0.4	112.8	Q382 K383	R379-Q382 PolarHBondContact O-N 3.09Å; R379-K383 WeakPolarHBondContact O-CB 2.9Å; R379-K383 PolarHBondContact O-N 3.24Å
380	D	94.1	Very high	93.5	Very high	125 Å²	125	95.5 Å²	95.5	67%	0.668	45%	0.452	S	S	*	.	H	α-helix	trans	-70.1	-39.5	178.6	-67.8	-30.7	0	0	0	110.6	D378 K383 R384	D378-D380 VanDerWaalsContact C-N 3.28Å; D378-D380 PolarHBondContact O-N 3.38Å; D378-D380 WeakPolarHBondContact OD2-CB 2.91Å; D378-D380 PolarHBondContact OD2-N 2.87Å; D380-K383 PolarHBondContact O-N 3.09Å; D380-R384 WeakPolarHBondContact O-CB 3.43Å; D380-R384 PolarHBondContact O-N 3.25Å
381	L	93.6	Very high	93.2	Very high	80 Å²	80	90.7 Å²	90.7	42%	0.419	43%	0.428	S	S	.	.	H	α-helix	trans	-66.4	-40.8	174	-175.5	56.2	0	0	0	111.5	V377 D378 K383 R384 V385	V377-L381 HydrophobicContact CG1-CB 3.93Å; V377-L381 HydrophobicContact CG1-CD2 3.72Å; V377-L381 HydrophobicContact CG1-CG 3.89Å; D378-L381 PolarHBondContact O-N 3.32Å; D378-L381 VanDerWaalsContact O-N 3.14Å; L381-K383 PolarHBondContact O-N 2.93Å; L381-R384 PolarHBondContact O-N 3.36Å; L381-V385 HydrophobicContact CD1-CG2 4.4Å; L381-V385 WeakPolarHBondContact O-CG2 3.48Å; L381-V385 PolarHBondContact O-N 2.99Å
382	Q	93.7	Very high	92.8	Very high	46 Å²	46	85.6 Å²	85.6	22%	0.215	41%	0.406	C	S	.	.	H	α-helix	trans	-58.3	-48.5	174.5	-66.8	-175.2	10.2	0	0	112	M372 V377 D378 R379 R384 V385 I386	M372-Q382 HydrophobicContact CB-CG 4Å; M372-Q382 HydrophobicContact CE-CB 4.21Å; M372-Q382 HydrophobicContact CE-CG 4.25Å; M372-Q382 HydrophobicContact CG-CG 4.44Å; M372-Q382 HydrophobicContact SD-CB 4.12Å; M372-Q382 HydrophobicContact SD-CG 3.88Å; V377-Q382 HydrophobicContact CB-CG 4.2Å; V377-Q382 HydrophobicContact CG1-CG 4.12Å; V377-Q382 PolarHBondContact O-NE2 2.99Å; D378-Q382 WeakPolarHBondContact O-CG 3.4Å; D378-Q382 PolarHBondContact O-N 3.42Å; R379-Q382 PolarHBondContact O-N 3.09Å; Q382-R384 VanDerWaalsContact C-N 3.3Å; Q382-R384 PolarHBondContact O-N 2.93Å; Q382-V385 PolarHBondContact O-N 3.32Å; Q382-I386 WeakPolarHBondContact O-CG1 3.3Å; Q382-I386 PolarHBondContact O-N 3.28Å
383	K	93.6	Very high	92.3	Very high	151 Å²	151	89.1 Å²	89.1	66%	0.657	42%	0.419	S	S	*	.	H	α-helix	trans	-59.8	-42.1	177.9	-174.3	178.4	-179.8	-178.6	0	111.4	R379 D380 L381 I386 T387	R379-K383 WeakPolarHBondContact O-CB 2.9Å; R379-K383 PolarHBondContact O-N 3.24Å; D380-K383 PolarHBondContact O-N 3.09Å; L381-K383 PolarHBondContact O-N 2.93Å; K383-I386 PolarHBondContact O-N 3.49Å; K383-T387 WeakPolarHBondContact O-CB 3.47Å; K383-T387 PolarHBondContact O-N 3.29Å; K383-T387 PolarHBondContact O-OG1 2.66Å
384	R	93.3	Very high	91.8	Very high	135 Å²	135	86.7 Å²	86.7	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-62.5	-44.4	177	-179.1	-179.7	150	-178.1	-3.7	112.1	D380 L381 Q382 T387 W388 D455	D380-R384 WeakPolarHBondContact O-CB 3.43Å; D380-R384 PolarHBondContact O-N 3.25Å; L381-R384 PolarHBondContact O-N 3.36Å; Q382-R384 VanDerWaalsContact C-N 3.3Å; Q382-R384 PolarHBondContact O-N 2.93Å; R384-T387 PolarHBondContact O-N 3.29Å; R384-W388 WeakPolarHBondContact O-CB 3.29Å; R384-W388 PolarHBondContact O-N 3.42Å; R384-D455 IonicContact CZ-OD1 2.68Å; R384-D455 IonicContact NE-OD1 3.51Å; R384-D455 IonicContact NH1-OD1 3.26Å; R384-D455 IonicContact NH2-OD1 3.06Å; R384-D455 PolarHBondContact NH2-OD1 3.08Å; R384-D455 IonicContact NH2-OD2 3.27Å
385	V	92.8	Very high	91.2	Very high	39 Å²	39	87.2 Å²	87.2	24%	0.236	41%	0.407	C	S	.	.	H	α-helix	trans	-62.3	-48	177.1	171.8	0	0	0	0	111.1	I368 M372 L381 Q382 T387 W388 F389	I368-V385 HydrophobicContact CG2-CG1 3.9Å; M372-V385 HydrophobicContact CE-CG1 4.33Å; M372-V385 HydrophobicContact SD-CB 3.92Å; M372-V385 HydrophobicContact SD-CG1 3.99Å; M372-V385 HydrophobicContact SD-CG2 4.14Å; L381-V385 HydrophobicContact CD1-CG2 4.4Å; L381-V385 WeakPolarHBondContact O-CG2 3.48Å; L381-V385 PolarHBondContact O-N 2.99Å; Q382-V385 PolarHBondContact O-N 3.32Å; V385-T387 VanDerWaalsContact C-N 3.34Å; V385-T387 PolarHBondContact O-N 3.46Å; V385-W388 PolarHBondContact O-N 3.29Å; V385-F389 HydrophobicContact CG1-CD2 3.89Å; V385-F389 HydrophobicContact CG1-CE2 4.05Å; V385-F389 WeakPolarHBondContact O-CD2 3.35Å; V385-F389 PolarHBondContact O-N 2.93Å
386	I	92.7	Very high	90.3	Very high	48 Å²	48	89.2 Å²	89.2	25%	0.246	41%	0.414	C	S	.	.	H	α-helix	trans	-60.3	-45.9	179	-65.9	166.7	0	0	0	110.6	M365 M372 Q382 K383 W388 F389 D390	M365-I386 HydrophobicContact CE-CG2 4.46Å; M365-I386 HydrophobicContact SD-CG1 4.36Å; M372-I386 HydrophobicContact CE-CG1 4.33Å; Q382-I386 WeakPolarHBondContact O-CG1 3.3Å; Q382-I386 PolarHBondContact O-N 3.28Å; K383-I386 PolarHBondContact O-N 3.49Å; I386-W388 VanDerWaalsContact C-N 3.31Å; I386-W388 PolarHBondContact O-N 3.14Å; I386-F389 PolarHBondContact O-N 2.92Å; I386-F389 VanDerWaalsContact O-N 3.15Å; I386-D390 PolarHBondContact O-N 2.94Å
387	T	91.8	Very high	89	Confident	61 Å²	61	81 Å²	81	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-38.9	178.5	-50.5	0	0	0	0	111.8	K383 R384 V385 D390 Y391 Y521	K383-T387 WeakPolarHBondContact O-CB 3.47Å; K383-T387 PolarHBondContact O-N 3.29Å; K383-T387 PolarHBondContact O-OG1 2.66Å; R384-T387 PolarHBondContact O-N 3.29Å; V385-T387 VanDerWaalsContact C-N 3.34Å; V385-T387 PolarHBondContact O-N 3.46Å; T387-D390 PolarHBondContact O-N 2.92Å; T387-Y391 WeakPolarHBondContact O-CB 3.48Å; T387-Y391 PolarHBondContact O-N 2.96Å; T387-Y521 WeakPolarHBondContact CG2-OH 3.05Å
388	W	90.8	Very high	87.5	Confident	73 Å²	73	82.8 Å²	82.8	28%	0.277	39%	0.387	S	S	.	.	H	α-helix	trans	-63.9	-43.7	174.6	178.9	91.7	0	0	0	111.7	R384 V385 I386 Y391 Q392 V450	R384-W388 WeakPolarHBondContact O-CB 3.29Å; R384-W388 PolarHBondContact O-N 3.42Å; V385-W388 PolarHBondContact O-N 3.29Å; I386-W388 VanDerWaalsContact C-N 3.31Å; I386-W388 PolarHBondContact O-N 3.14Å; W388-Y391 WeakPolarHBondContact O-CB 3.22Å; W388-Y391 PolarHBondContact O-N 3.22Å; W388-Q392 HydrophobicContact CD2-CG 4.11Å; W388-Q392 HydrophobicContact CE3-CG 4.05Å; W388-Q392 HydrophobicContact CH2-CG 3.85Å; W388-Q392 HydrophobicContact CZ2-CG 3.9Å; W388-Q392 HydrophobicContact CZ3-CG 3.92Å; W388-Q392 WeakPolarHBondContact O-CG 3.26Å; W388-Q392 PolarHBondContact O-N 3.32Å; W388-V450 PolarHBondContact NE1-O 3.43Å
389	F	88.6	Confident	85.6	Confident	40 Å²	40	81.3 Å²	81.3	18%	0.175	38%	0.379	C	S	.	.	H	α-helix	trans	-65.1	-40.6	176.3	-93.1	-83.5	0	0	0	112.7	F361 M365 I368 V385 I386 Y391 Q392 W393	F361-F389 AromaticContact CE2-CD1 3.99Å; F361-F389 HydrophobicContact CE2-CD1 3.99Å; F361-F389 HydrophobicContact CZ-CB 4.23Å; F361-F389 HydrophobicContact CZ-CD1 4.27Å; F361-F389 WeakPolarHBondContact CZ-O 3.21Å; M365-F389 HydrophobicContact CE-CB 3.31Å; M365-F389 HydrophobicContact CE-CG 4.08Å; M365-F389 HydrophobicContact SD-CB 4.22Å; I368-F389 HydrophobicContact CD1-CD2 4.29Å; I368-F389 HydrophobicContact CD1-CE1 3.77Å; I368-F389 HydrophobicContact CD1-CE2 3.33Å; I368-F389 HydrophobicContact CD1-CZ 3.02Å; I368-F389 HydrophobicContact CG2-CE2 4.49Å; V385-F389 HydrophobicContact CG1-CD2 3.89Å; V385-F389 HydrophobicContact CG1-CE2 4.05Å; V385-F389 WeakPolarHBondContact O-CD2 3.35Å; V385-F389 PolarHBondContact O-N 2.93Å; I386-F389 PolarHBondContact O-N 2.92Å; I386-F389 VanDerWaalsContact O-N 3.15Å; F389-Y391 VanDerWaalsContact C-N 3.28Å; F389-Y391 PolarHBondContact O-N 3.02Å; F389-Q392 WeakPolarHBondContact O-CB 3.47Å; F389-Q392 PolarHBondContact O-N 3Å; F389-W393 PolarHBondContact O-N 2.92Å
390	D	88.2	Confident	83.9	Confident	82 Å²	82	73 Å²	73	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-37.9	175.6	-70.7	-22.9	0	0	0	111.4	I386 T387 W393 S394	I386-D390 PolarHBondContact O-N 2.94Å; T387-D390 PolarHBondContact O-N 2.92Å; D390-W393 PolarHBondContact O-N 3.5Å; D390-S394 WeakPolarHBondContact O-CB 3.41Å; D390-S394 PolarHBondContact O-N 3.31Å; D390-S394 PolarHBondContact O-OG 2.89Å
391	Y	88.1	Confident	82.1	Confident	36 Å²	36	69.7 Å²	69.7	14%	0.141	34%	0.344	C	S	.	.	H	α-helix	trans	-64.3	-44.7	172.6	179.9	-97.1	0	0	0	112.2	T387 W388 F389 W393 S394 R395 I397 V450 Y521	T387-Y391 WeakPolarHBondContact O-CB 3.48Å; T387-Y391 PolarHBondContact O-N 2.96Å; W388-Y391 WeakPolarHBondContact O-CB 3.22Å; W388-Y391 PolarHBondContact O-N 3.22Å; F389-Y391 VanDerWaalsContact C-N 3.28Å; F389-Y391 PolarHBondContact O-N 3.02Å; Y391-W393 VanDerWaalsContact C-N 3.33Å; Y391-W393 PolarHBondContact O-N 3.28Å; Y391-S394 WeakPolarHBondContact CA-OG 3.41Å; Y391-S394 PolarHBondContact O-N 2.85Å; Y391-S394 PolarHBondContact O-OG 3.37Å; Y391-R395 HydrophobicContact CD2-CG 4.42Å; Y391-R395 HydrophobicContact CE1-CG 4.43Å; Y391-R395 VanDerWaalsContact CE2-CD 3.47Å; Y391-R395 HydrophobicContact CE2-CG 4.02Å; Y391-R395 PolarHBondContact O-N 3.45Å; Y391-R395 VanDerWaalsContact O-N 3.1Å; Y391-R395 WeakPolarHBondContact OH-CD 3.24Å; Y391-R395 PolarHBondContact OH-NH1 3.36Å; Y391-I397 HydrophobicContact CE1-CD1 4.21Å; Y391-V450 HydrophobicContact CD1-CG1 4.09Å; Y391-V450 HydrophobicContact CE1-CG1 3.71Å; Y391-Y521 AromaticContact CD1-CD1 3.46Å; Y391-Y521 HydrophobicContact CD1-CD1 3.46Å; Y391-Y521 VanDerWaalsContact CD1-CD1 3.46Å; Y391-Y521 AromaticContact CD1-CE1 3.79Å; Y391-Y521 HydrophobicContact CD1-CE1 3.79Å; Y391-Y521 HydrophobicContact CD1-CG 4.01Å; Y391-Y521 AromaticContact CD2-CD1 3.92Å; Y391-Y521 HydrophobicContact CD2-CD1 3.92Å; Y391-Y521 AromaticContact CD2-CD2 3.81Å; Y391-Y521 HydrophobicContact CD2-CD2 3.81Å; Y391-Y521 HydrophobicContact CD2-CE1 4.03Å; Y391-Y521 AromaticContact CD2-CE2 3.94Å; Y391-Y521 HydrophobicContact CD2-CE2 3.94Å; Y391-Y521 AromaticContact CD2-CG 3.8Å; Y391-Y521 HydrophobicContact CD2-CG 3.8Å; Y391-Y521 AromaticContact CE1-CD1 3.55Å; Y391-Y521 HydrophobicContact CE1-CD1 3.55Å; Y391-Y521 HydrophobicContact CE1-CE1 4.33Å; Y391-Y521 AromaticContact CE1-CG 3.74Å; Y391-Y521 HydrophobicContact CE1-CG 3.74Å; Y391-Y521 AromaticContact CE2-CD1 4Å; Y391-Y521 HydrophobicContact CE2-CD1 4Å; Y391-Y521 AromaticContact CE2-CD2 3.68Å; Y391-Y521 HydrophobicContact CE2-CD2 3.68Å; Y391-Y521 HydrophobicContact CE2-CE2 4.29Å; Y391-Y521 AromaticContact CE2-CG 3.51Å; Y391-Y521 HydrophobicContact CE2-CG 3.51Å; Y391-Y521 AromaticContact CG-CD1 3.63Å; Y391-Y521 HydrophobicContact CG-CD1 3.63Å; Y391-Y521 HydrophobicContact CG-CD2 4.35Å; Y391-Y521 AromaticContact CG-CE1 3.59Å; Y391-Y521 HydrophobicContact CG-CE1 3.59Å; Y391-Y521 HydrophobicContact CG-CE2 4.33Å; Y391-Y521 HydrophobicContact CG-CG 4.02Å; Y391-Y521 AromaticContact CG-CZ 3.96Å; Y391-Y521 AromaticContact CZ-CD1 3.79Å; Y391-Y521 AromaticContact CZ-CG 3.46Å; Y391-Y521 VanDerWaalsContact CZ-CG 3.46Å; Y391-Y521 WeakPolarHBondContact OH-CB 3.33Å
392	Q	86.4	Confident	80.6	Confident	10 Å²	10	70.8 Å²	70.8	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-45.9	174.7	-68.7	-64.2	-54.6	0	0	111.6	W388 F389 K396 I397 N398 V450	W388-Q392 HydrophobicContact CD2-CG 4.11Å; W388-Q392 HydrophobicContact CE3-CG 4.05Å; W388-Q392 HydrophobicContact CH2-CG 3.85Å; W388-Q392 HydrophobicContact CZ2-CG 3.9Å; W388-Q392 HydrophobicContact CZ3-CG 3.92Å; W388-Q392 WeakPolarHBondContact O-CG 3.26Å; W388-Q392 PolarHBondContact O-N 3.32Å; F389-Q392 WeakPolarHBondContact O-CB 3.47Å; F389-Q392 PolarHBondContact O-N 3Å; Q392-K396 PolarHBondContact O-N 3.03Å; Q392-K396 VanDerWaalsContact O-N 3.11Å; Q392-I397 PolarHBondContact O-N 3.5Å; Q392-N398 PolarHBondContact OE1-ND2 3.05Å; Q392-V450 VanDerWaalsContact NE2-CG1 3.27Å; Q392-V450 VanDerWaalsContact NE2-CG2 3.26Å
393	W	84.8	Confident	79.3	Confident	82 Å²	82	72.2 Å²	72.2	31%	0.311	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-50	179.7	179.1	-107.7	0	0	0	112.7	R358 F361 F389 D390 Y391 R395 K396 L399	R358-W393 HydrophobicContact CB-CH2 4.07Å; R358-W393 HydrophobicContact CB-CZ2 4.17Å; R358-W393 HydrophobicContact CG-CZ2 4.23Å; F361-W393 HydrophobicContact CB-CD2 4.43Å; F361-W393 HydrophobicContact CB-CE3 3.5Å; F361-W393 HydrophobicContact CB-CH2 4.16Å; F361-W393 HydrophobicContact CB-CZ3 3.34Å; F361-W393 HydrophobicContact CD1-CB 4.38Å; F361-W393 AromaticContact CD1-CD2 3.77Å; F361-W393 HydrophobicContact CD1-CD2 3.77Å; F361-W393 AromaticContact CD1-CE3 3.6Å; F361-W393 HydrophobicContact CD1-CE3 3.6Å; F361-W393 HydrophobicContact CD1-CG 4.1Å; F361-W393 HydrophobicContact CD1-CZ3 4.22Å; F361-W393 HydrophobicContact CD2-CB 4.36Å; F361-W393 HydrophobicContact CD2-CD2 4.23Å; F361-W393 AromaticContact CD2-CE3 3.46Å; F361-W393 HydrophobicContact CD2-CE3 3.46Å; F361-W393 VanDerWaalsContact CD2-CE3 3.46Å; F361-W393 HydrophobicContact CD2-CZ3 4.15Å; F361-W393 HydrophobicContact CE1-CB 3.8Å; F361-W393 HydrophobicContact CE1-CD2 4.07Å; F361-W393 HydrophobicContact CE1-CE3 4.2Å; F361-W393 AromaticContact CE1-CG 3.88Å; F361-W393 HydrophobicContact CE1-CG 3.88Å; F361-W393 HydrophobicContact CE2-CB 3.77Å; F361-W393 HydrophobicContact CE2-CD2 4.49Å; F361-W393 HydrophobicContact CE2-CE3 4.06Å; F361-W393 HydrophobicContact CE2-CG 4.41Å; F361-W393 AromaticContact CG-CD2 3.87Å; F361-W393 HydrophobicContact CG-CD2 3.87Å; F361-W393 AromaticContact CG-CE3 3.2Å; F361-W393 HydrophobicContact CG-CE3 3.2Å; F361-W393 HydrophobicContact CG-CG 4.47Å; F361-W393 AromaticContact CG-CZ3 3.65Å; F361-W393 HydrophobicContact CG-CZ3 3.65Å; F361-W393 HydrophobicContact CZ-CB 3.48Å; F361-W393 VanDerWaalsContact CZ-CB 3.48Å; F361-W393 HydrophobicContact CZ-CD2 4.43Å; F361-W393 HydrophobicContact CZ-CE3 4.42Å; F361-W393 HydrophobicContact CZ-CG 4.07Å; F389-W393 PolarHBondContact O-N 2.92Å; D390-W393 PolarHBondContact O-N 3.5Å; Y391-W393 VanDerWaalsContact C-N 3.33Å; Y391-W393 PolarHBondContact O-N 3.28Å; W393-R395 VanDerWaalsContact C-N 3.28Å; W393-R395 PolarHBondContact O-N 2.95Å; W393-K396 PolarHBondContact O-N 3.29Å; W393-L399 HydrophobicContact CD2-CD1 4.47Å; W393-L399 HydrophobicContact CE3-CD1 3.71Å; W393-L399 HydrophobicContact CE3-CD2 3.61Å; W393-L399 HydrophobicContact CE3-CG 4.25Å; W393-L399 HydrophobicContact CH2-CD1 4.43Å; W393-L399 HydrophobicContact CZ3-CD1 3.69Å; W393-L399 HydrophobicContact CZ3-CD2 3.51Å; W393-L399 HydrophobicContact CZ3-CG 4.27Å
394	S	84.7	Confident	78.1	Confident	84 Å²	84	67.6 Å²	67.6	59%	0.587	36%	0.355	S	S	*	.	H	α-helix	trans	-61.5	-36.7	-178.5	57.8	0	0	0	0	112.4	D390 Y391 K396	D390-S394 WeakPolarHBondContact O-CB 3.41Å; D390-S394 PolarHBondContact O-N 3.31Å; D390-S394 PolarHBondContact O-OG 2.89Å; Y391-S394 WeakPolarHBondContact CA-OG 3.41Å; Y391-S394 PolarHBondContact O-N 2.85Å; Y391-S394 PolarHBondContact O-OG 3.37Å; S394-K396 VanDerWaalsContact C-N 3.32Å
395	R	82.1	Confident	77	Confident	93 Å²	93	63.8 Å²	63.8	35%	0.351	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.1	176.2	-67.5	-157.8	64.1	174.5	-1.9	114.7	Y391 W393 I397 E472 N523	Y391-R395 HydrophobicContact CD2-CG 4.42Å; Y391-R395 HydrophobicContact CE1-CG 4.43Å; Y391-R395 VanDerWaalsContact CE2-CD 3.47Å; Y391-R395 HydrophobicContact CE2-CG 4.02Å; Y391-R395 PolarHBondContact O-N 3.45Å; Y391-R395 VanDerWaalsContact O-N 3.1Å; Y391-R395 WeakPolarHBondContact OH-CD 3.24Å; Y391-R395 PolarHBondContact OH-NH1 3.36Å; W393-R395 VanDerWaalsContact C-N 3.28Å; W393-R395 PolarHBondContact O-N 2.95Å; R395-I397 HydrophobicContact CB-CD1 3.54Å; R395-I397 HydrophobicContact CB-CG1 3.59Å; R395-I397 HydrophobicContact CG-CD1 4.3Å; R395-I397 PolarHBondContact O-N 3.24Å; R395-I397 VanDerWaalsContact O-N 3.13Å; R395-E472 IonicContact CZ-OE1 3.53Å; R395-E472 IonicContact CZ-OE2 2.77Å; R395-E472 VanDerWaalsContact NH1-CD 3.29Å; R395-E472 IonicContact NH1-OE1 3.48Å; R395-E472 PolarHBondContact NH1-OE1 2.94Å; R395-E472 IonicContact NH1-OE2 3.52Å; R395-E472 PolarHBondContact NH1-OE2 3.25Å; R395-E472 VanDerWaalsContact NH2-CD 3.32Å; R395-E472 IonicContact NH2-OE1 2.69Å; R395-E472 PolarHBondContact NH2-OE1 3.14Å; R395-E472 VanDerWaalsContact NH2-OE1 3.13Å; R395-E472 IonicContact NH2-OE2 2.89Å; R395-E472 PolarHBondContact NH2-OE2 3.45Å; R395-N523 PolarHBondContact NH1-ND2 3.4Å; R395-N523 PolarHBondContact NH2-ND2 3.28Å
396	K	76.5	Confident	76.2	Confident	159 Å²	159	69.3 Å²	69.3	69%	0.691	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	27.6	-173.7	-55.6	-177.5	179	178.4	0	113.3	Q392 W393 S394 L399	Q392-K396 PolarHBondContact O-N 3.03Å; Q392-K396 VanDerWaalsContact O-N 3.11Å; W393-K396 PolarHBondContact O-N 3.29Å; S394-K396 VanDerWaalsContact C-N 3.32Å; K396-L399 HydrophobicContact CB-CD1 3.87Å; K396-L399 HydrophobicContact CG-CD1 3.99Å
397	I	68.3	Low	75.6	Confident	18 Å²	18	72.6 Å²	72.6	9%	0.092	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	131.5	179.7	-60.5	169.4	0	0	0	107.3	Y391 Q392 R395 L399 L448 V450	Y391-I397 HydrophobicContact CE1-CD1 4.21Å; Q392-I397 PolarHBondContact O-N 3.5Å; R395-I397 HydrophobicContact CB-CD1 3.54Å; R395-I397 HydrophobicContact CB-CG1 3.59Å; R395-I397 HydrophobicContact CG-CD1 4.3Å; R395-I397 PolarHBondContact O-N 3.24Å; R395-I397 VanDerWaalsContact O-N 3.13Å; I397-L399 PolarHBondContact O-N 3.23Å; I397-L399 VanDerWaalsContact O-N 3.15Å; I397-L448 HydrophobicContact CG2-CD2 3.81Å; I397-V450 HydrophobicContact CD1-CG2 4.08Å; I397-V450 HydrophobicContact CG2-CG2 3.88Å
398	N	63	Low	75	Confident	73 Å²	73	72.4 Å²	72.4	39%	0.39	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	15.8	-178.7	-58.8	-35.4	0	0	0	115.9	Q392 G400	Q392-N398 PolarHBondContact OE1-ND2 3.05Å; N398-G400 PolarHBondContact O-N 3.31Å
399	L	56.8	Low	74.6	Confident	67 Å²	67	72.4 Å²	72.4	35%	0.351	39%	0.394	S	S	.	.	S	Bend	trans	-75.4	79.9	168.9	-69.3	-179.3	0	0	0	110	F361 W393 K396 I397 S401	F361-L399 HydrophobicContact CD2-CD2 4.49Å; W393-L399 HydrophobicContact CD2-CD1 4.47Å; W393-L399 HydrophobicContact CE3-CD1 3.71Å; W393-L399 HydrophobicContact CE3-CD2 3.61Å; W393-L399 HydrophobicContact CE3-CG 4.25Å; W393-L399 HydrophobicContact CH2-CD1 4.43Å; W393-L399 HydrophobicContact CZ3-CD1 3.69Å; W393-L399 HydrophobicContact CZ3-CD2 3.51Å; W393-L399 HydrophobicContact CZ3-CG 4.27Å; K396-L399 HydrophobicContact CB-CD1 3.87Å; K396-L399 HydrophobicContact CG-CD1 3.99Å; I397-L399 PolarHBondContact O-N 3.23Å; I397-L399 VanDerWaalsContact O-N 3.15Å; L399-S401 PolarHBondContact O-N 3.37Å; L399-S401 VanDerWaalsContact O-N 3.17Å
400	G	57.1	Low	74.1	Confident	32 Å²	32	75.2 Å²	75.2	33%	0.33	42%	0.415	S	S	.	.	S	Bend	trans	72.5	5.3	172.2	0	0	0	0	0	115.5	N398 D402 S403 A404	N398-G400 PolarHBondContact O-N 3.31Å; G400-D402 VanDerWaalsContact C-N 3.33Å; G400-D402 PolarHBondContact O-N 3.33Å; G400-S403 WeakPolarHBondContact CA-OG 3.33Å; G400-S403 PolarHBondContact O-N 2.84Å; G400-S403 PolarHBondContact O-OG 3.04Å; G400-A404 WeakPolarHBondContact O-CB 3.38Å; G400-A404 PolarHBondContact O-N 2.95Å
401	S	56.5	Low	73.7	Confident	54 Å²	54	75.6 Å²	75.6	38%	0.378	41%	0.413	S	S	.	.	H	α-helix	trans	-57	-44.7	-179.8	-55.6	0	0	0	0	111.9	L399 L405	L399-S401 PolarHBondContact O-N 3.37Å; L399-S401 VanDerWaalsContact O-N 3.17Å; S401-L405 VanDerWaalsContact O-CB 3.22Å; S401-L405 WeakPolarHBondContact O-CB 3.23Å; S401-L405 WeakPolarHBondContact O-CG 3.27Å; S401-L405 PolarHBondContact O-N 3.14Å
402	D	62.3	Low	73.5	Confident	104 Å²	104	77.8 Å²	77.8	56%	0.556	43%	0.427	S	S	*	.	H	α-helix	trans	-69.5	-39	178.7	-75.7	0.6	0	0	0	112.8	G400 K406	G400-D402 VanDerWaalsContact C-N 3.33Å; G400-D402 PolarHBondContact O-N 3.33Å; D402-K406 VanDerWaalsContact O-CB 3.27Å; D402-K406 WeakPolarHBondContact O-CB 3.33Å; D402-K406 WeakPolarHBondContact O-CD 3.44Å; D402-K406 WeakPolarHBondContact O-CG 3.3Å; D402-K406 PolarHBondContact O-N 3.29Å
403	S	66.2	Low	73.2	Confident	76 Å²	76	81.2 Å²	81.2	53%	0.531	44%	0.44	S	S	.	.	H	α-helix	trans	-69.9	-41.6	177.9	49	0	0	0	0	111.7	G400 K406 T407	G400-S403 WeakPolarHBondContact CA-OG 3.33Å; G400-S403 PolarHBondContact O-N 2.84Å; G400-S403 PolarHBondContact O-OG 3.04Å; S403-K406 PolarHBondContact O-N 2.69Å; S403-T407 WeakPolarHBondContact O-CG2 3.31Å; S403-T407 PolarHBondContact O-N 2.82Å
404	A	69.9	Low	72.9	Confident	53 Å²	53	77.9 Å²	77.9	44%	0.438	43%	0.429	S	S	.	.	H	α-helix	trans	-66.4	-45.9	178.2	0	0	0	0	0	110.7	G400 K406 T407	G400-A404 WeakPolarHBondContact O-CB 3.38Å; G400-A404 PolarHBondContact O-N 2.95Å; A404-K406 VanDerWaalsContact C-N 3.3Å; A404-K406 PolarHBondContact O-N 2.94Å; A404-T407 PolarHBondContact O-N 2.94Å; A404-T407 VanDerWaalsContact O-N 3.15Å; A404-T407 PolarHBondContact O-OG1 3.33Å
405	L	70.2	Confident	72.7	Confident	55 Å²	55	78.7 Å²	78.7	29%	0.288	42%	0.424	S	S	.	.	H	α-helix	trans	-66.6	-30	178	-69.8	174.6	0	0	0	112.8	S401 T407 L408 R413 I416	S401-L405 VanDerWaalsContact O-CB 3.22Å; S401-L405 WeakPolarHBondContact O-CB 3.23Å; S401-L405 WeakPolarHBondContact O-CG 3.27Å; S401-L405 PolarHBondContact O-N 3.14Å; L405-T407 VanDerWaalsContact C-N 3.29Å; L405-T407 PolarHBondContact O-N 2.74Å; L405-L408 HydrophobicContact CD2-CD1 4.04Å; L405-L408 PolarHBondContact O-N 2.78Å; L405-R413 HydrophobicContact CB-CG 4.32Å; L405-I416 HydrophobicContact CD2-CG2 4.1Å
406	K	74.3	Confident	72.7	Confident	156 Å²	156	77.6 Å²	77.6	68%	0.678	42%	0.424	S	S	*	.	H	α-helix	trans	-69.3	-22.5	174	-78.2	170.6	-172.8	179.3	0	113.7	D402 S403 A404 L408	D402-K406 VanDerWaalsContact O-CB 3.27Å; D402-K406 WeakPolarHBondContact O-CB 3.33Å; D402-K406 WeakPolarHBondContact O-CD 3.44Å; D402-K406 WeakPolarHBondContact O-CG 3.3Å; D402-K406 PolarHBondContact O-N 3.29Å; S403-K406 PolarHBondContact O-N 2.69Å; A404-K406 VanDerWaalsContact C-N 3.3Å; A404-K406 PolarHBondContact O-N 2.94Å; K406-L408 VanDerWaalsContact C-N 3.28Å
407	T	80.3	Confident	72.8	Confident	116 Å²	116	70.4 Å²	70.4	71%	0.712	40%	0.395	S	S	*	.	H	α-helix	trans	-76.3	-19.3	173.9	62.9	0	0	0	0	112.9	S403 A404 L405	S403-T407 WeakPolarHBondContact O-CG2 3.31Å; S403-T407 PolarHBondContact O-N 2.82Å; A404-T407 PolarHBondContact O-N 2.94Å; A404-T407 VanDerWaalsContact O-N 3.15Å; A404-T407 PolarHBondContact O-OG1 3.33Å; L405-T407 VanDerWaalsContact C-N 3.29Å; L405-T407 PolarHBondContact O-N 2.74Å
408	L	79.5	Confident	73.2	Confident	58 Å²	58	71.9 Å²	71.9	30%	0.304	40%	0.402	S	S	.	.	S	Bend	trans	-81.4	145.7	-179.2	-61.8	176.2	0	0	0	111.2	L405 K406 L412 I416	L405-L408 HydrophobicContact CD2-CD1 4.04Å; L405-L408 PolarHBondContact O-N 2.78Å; K406-L408 VanDerWaalsContact C-N 3.28Å; L408-L412 HydrophobicContact CB-CB 4.47Å; L408-I416 HydrophobicContact CD1-CD1 3.44Å; L408-I416 VanDerWaalsContact CD1-CD1 3.44Å
409	P	83.3	Confident	74	Confident	73 Å²	73	76.3 Å²	76.3	47%	0.474	42%	0.42	S	S	.	.			trans	-53	144.9	168.1	-25.5	33	0	0	0	111.8	K411 L412 R413	P409-K411 PolarHBondContact O-N 3.14Å; P409-L412 HydrophobicContact CG-CD1 4.31Å; P409-L412 PolarHBondContact O-N 2.7Å; P409-R413 PolarHBondContact O-N 3.35Å
410	P	78.2	Confident	75	Confident	98 Å²	98	76.6 Å²	76.6	64%	0.636	42%	0.424	S	S	*	.	H	α-helix	trans	-52.1	-36.4	-176.5	-28.6	34.4	0	0	0	114.2	R413 A414	P410-R413 PolarHBondContact O-N 2.92Å; P410-A414 WeakPolarHBondContact O-CB 2.69Å; P410-A414 PolarHBondContact O-N 3.4Å
411	K	79.1	Confident	75.9	Confident	90 Å²	90	76.6 Å²	76.6	39%	0.391	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-48.1	177	-172.3	-178.1	-179.2	-163.7	0	112.8	F29 P409 R413 A414 E415	F29-K411 HydrophobicContact CE2-CD 3.91Å; P409-K411 PolarHBondContact O-N 3.14Å; K411-R413 VanDerWaalsContact C-N 3.33Å; K411-A414 WeakPolarHBondContact O-CB 3.22Å; K411-A414 PolarHBondContact O-N 2.83Å; K411-E415 VanDerWaalsContact CE-OE1 3.26Å; K411-E415 WeakPolarHBondContact CE-OE1 3.46Å; K411-E415 IonicContact NZ-OE1 3.53Å; K411-E415 WeakPolarHBondContact O-CG 3.45Å; K411-E415 PolarHBondContact O-N 2.83Å
412	L	83.9	Confident	76.8	Confident	83 Å²	83	78.4 Å²	78.4	44%	0.435	42%	0.417	S	S	.	.	H	α-helix	trans	-67.9	-37.2	177.9	-70.3	-179.7	0	0	0	111.1	L408 P409 A414 E415 I416	L408-L412 HydrophobicContact CB-CB 4.47Å; P409-L412 HydrophobicContact CG-CD1 4.31Å; P409-L412 PolarHBondContact O-N 2.7Å; L412-A414 VanDerWaalsContact C-N 3.31Å; L412-A414 PolarHBondContact O-N 3.03Å; L412-E415 PolarHBondContact O-N 3.25Å; L412-I416 WeakPolarHBondContact O-CB 3.25Å; L412-I416 VanDerWaalsContact O-CG1 3.3Å; L412-I416 WeakPolarHBondContact O-CG1 3.47Å; L412-I416 PolarHBondContact O-N 2.83Å
413	R	81.2	Confident	77.5	Confident	82 Å²	82	76.8 Å²	76.8	31%	0.309	41%	0.414	S	S	.	.	H	α-helix	trans	-58.3	-45.6	172.5	-169.4	-176.3	75.2	163.9	8.9	111.1	L405 P409 P410 K411 A417 L444	L405-R413 HydrophobicContact CB-CG 4.32Å; P409-R413 PolarHBondContact O-N 3.35Å; P410-R413 PolarHBondContact O-N 2.92Å; K411-R413 VanDerWaalsContact C-N 3.33Å; R413-A417 WeakPolarHBondContact O-CB 3.33Å; R413-A417 PolarHBondContact O-N 3.43Å; R413-L444 HydrophobicContact CG-CD2 4.05Å
414	A	77.2	Confident	78	Confident	11 Å²	11	73.4 Å²	73.4	9%	0.091	39%	0.39	C	S	.	.	H	α-helix	trans	-62	-49.7	176.6	0	0	0	0	0	112.1	P410 K411 L412 I416 A417 I418 V440 L444	P410-A414 WeakPolarHBondContact O-CB 2.69Å; P410-A414 PolarHBondContact O-N 3.4Å; K411-A414 WeakPolarHBondContact O-CB 3.22Å; K411-A414 PolarHBondContact O-N 2.83Å; L412-A414 VanDerWaalsContact C-N 3.31Å; L412-A414 PolarHBondContact O-N 3.03Å; A414-I416 PolarHBondContact O-N 3.45Å; A414-A417 PolarHBondContact O-N 2.9Å; A414-I418 WeakPolarHBondContact O-CB 3.41Å; A414-I418 WeakPolarHBondContact O-CD1 3.21Å; A414-I418 WeakPolarHBondContact O-CG1 3.35Å; A414-I418 PolarHBondContact O-N 3.21Å; A414-V440 HydrophobicContact CB-CG1 3.65Å; A414-L444 HydrophobicContact CB-CD1 4.14Å; A414-L444 HydrophobicContact CB-CD2 4.23Å; A414-L444 HydrophobicContact CB-CG 4.44Å
415	E	80.9	Confident	78.3	Confident	101 Å²	101	71 Å²	71	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-44.6	179.5	-73.5	175.7	-165.1	0	0	112.3	K411 L412 H419	K411-E415 VanDerWaalsContact CE-OE1 3.26Å; K411-E415 WeakPolarHBondContact CE-OE1 3.46Å; K411-E415 IonicContact NZ-OE1 3.53Å; K411-E415 WeakPolarHBondContact O-CG 3.45Å; K411-E415 PolarHBondContact O-N 2.83Å; L412-E415 PolarHBondContact O-N 3.25Å; E415-H419 WeakPolarHBondContact O-CB 3.48Å; E415-H419 PolarHBondContact O-N 3.39Å
416	I	83.1	Confident	78.6	Confident	70 Å²	70	76.4 Å²	76.4	36%	0.359	39%	0.387	S	S	.	.	H	α-helix	trans	-63.7	-47.8	175.6	-68.4	168.8	0	0	0	110.4	L405 L408 L412 A414 I418 H419 V420	L405-I416 HydrophobicContact CD2-CG2 4.1Å; L408-I416 HydrophobicContact CD1-CD1 3.44Å; L408-I416 VanDerWaalsContact CD1-CD1 3.44Å; L412-I416 WeakPolarHBondContact O-CB 3.25Å; L412-I416 VanDerWaalsContact O-CG1 3.3Å; L412-I416 WeakPolarHBondContact O-CG1 3.47Å; L412-I416 PolarHBondContact O-N 2.83Å; A414-I416 PolarHBondContact O-N 3.45Å; I416-I418 VanDerWaalsContact C-N 3.31Å; I416-I418 PolarHBondContact O-N 3.27Å; I416-H419 PolarHBondContact O-N 3.21Å; I416-H419 VanDerWaalsContact O-N 3.1Å; I416-V420 HydrophobicContact CG2-CG2 4.13Å; I416-V420 VanDerWaalsContact O-CG2 3.27Å; I416-V420 WeakPolarHBondContact O-CG2 3.29Å; I416-V420 PolarHBondContact O-N 3.42Å
417	A	78.4	Confident	78.7	Confident	9 Å²	9	73.8 Å²	73.8	7%	0.074	38%	0.375	C	S	.	.	H	α-helix	trans	-65	-37.8	-176	0	0	0	0	0	111.2	R413 A414 V420 H421 V443 L444	R413-A417 WeakPolarHBondContact O-CB 3.33Å; R413-A417 PolarHBondContact O-N 3.43Å; A414-A417 PolarHBondContact O-N 2.9Å; A417-V420 PolarHBondContact O-N 2.81Å; A417-H421 VanDerWaalsContact O-CB 3.27Å; A417-H421 WeakPolarHBondContact O-CB 3.45Å; A417-H421 PolarHBondContact O-CD2 3.29Å; A417-H421 PolarHBondContact O-N 2.93Å; A417-V443 HydrophobicContact CB-CG1 3.17Å; A417-L444 HydrophobicContact CB-CD2 4.41Å
418	I	77	Confident	78.6	Confident	49 Å²	49	68.3 Å²	68.3	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-59.7	-53.3	169.6	-65.8	160.8	0	0	0	108.8	A414 I416 V420 H421 F422 V440	A414-I418 WeakPolarHBondContact O-CB 3.41Å; A414-I418 WeakPolarHBondContact O-CD1 3.21Å; A414-I418 WeakPolarHBondContact O-CG1 3.35Å; A414-I418 PolarHBondContact O-N 3.21Å; I416-I418 VanDerWaalsContact C-N 3.31Å; I416-I418 PolarHBondContact O-N 3.27Å; I418-V420 PolarHBondContact O-N 2.99Å; I418-V420 VanDerWaalsContact O-N 3.16Å; I418-H421 PolarHBondContact O-N 2.95Å; I418-F422 HydrophobicContact CG2-CB 4.15Å; I418-F422 HydrophobicContact CG2-CD2 4.1Å; I418-F422 HydrophobicContact CG2-CG 4.43Å; I418-F422 WeakPolarHBondContact O-CA 3.48Å; I418-F422 WeakPolarHBondContact O-CB 3.24Å; I418-F422 PolarHBondContact O-N 3.15Å; I418-V440 HydrophobicContact CD1-CB 4.18Å; I418-V440 HydrophobicContact CD1-CG1 4.03Å; I418-V440 HydrophobicContact CD1-CG2 3.38Å; I418-V440 HydrophobicContact CG1-CG2 4.1Å
419	H	79.5	Confident	78.3	Confident	165 Å²	165	69.6 Å²	69.6	76%	0.764	35%	0.352	S	S	*	.	H	α-helix	trans	-57.1	-36.7	-177.8	-166.8	76.8	0	0	0	113.3	E415 I416	E415-H419 WeakPolarHBondContact O-CB 3.48Å; E415-H419 PolarHBondContact O-N 3.39Å; I416-H419 PolarHBondContact O-N 3.21Å; I416-H419 VanDerWaalsContact O-N 3.1Å
420	V	76.7	Confident	77.8	Confident	73 Å²	73	66.6 Å²	66.6	44%	0.442	33%	0.332	S	S	.	.	H	α-helix	trans	-80.1	-31.8	-179.4	-179.5	0	0	0	0	112.7	I416 A417 I418	I416-V420 HydrophobicContact CG2-CG2 4.13Å; I416-V420 VanDerWaalsContact O-CG2 3.27Å; I416-V420 WeakPolarHBondContact O-CG2 3.29Å; I416-V420 PolarHBondContact O-N 3.42Å; A417-V420 PolarHBondContact O-N 2.81Å; I418-V420 PolarHBondContact O-N 2.99Å; I418-V420 VanDerWaalsContact O-N 3.16Å
421	H	76.3	Confident	77.7	Confident	32 Å²	32	62.1 Å²	62.1	15%	0.148	30%	0.302	C	S	.	.	H	α-helix	trans	-112.3	-10	-170.6	-58.1	-35	0	0	0	114.8	A417 I418 S423 T424 L425 V443 F525	A417-H421 VanDerWaalsContact O-CB 3.27Å; A417-H421 WeakPolarHBondContact O-CB 3.45Å; A417-H421 PolarHBondContact O-CD2 3.29Å; A417-H421 PolarHBondContact O-N 2.93Å; I418-H421 PolarHBondContact O-N 2.95Å; H421-S423 VanDerWaalsContact C-N 3.32Å; H421-S423 PolarHBondContact O-N 2.65Å; H421-T424 PolarHBondContact O-N 3.04Å; H421-T424 VanDerWaalsContact O-N 3.17Å; H421-L425 HydrophobicContact CB-CD1 4.46Å; H421-L425 PolarHBondContact O-N 2.89Å; H421-V443 HydrophobicContact CB-CG2 4.36Å; H421-F525 AromaticContact CE1-CE1 3.55Å; H421-F525 AromaticContact CE1-CZ 3.32Å; H421-F525 WeakPolarHBondContact CE1-CZ 3.33Å; H421-F525 AromaticContact CG-CZ 3.84Å; H421-F525 AromaticContact ND1-CE1 3.84Å; H421-F525 AromaticContact ND1-CE2 3.98Å; H421-F525 AromaticContact ND1-CZ 3.18Å; H421-F525 WeakPolarHBondContact ND1-CZ 3.38Å; H421-F525 AromaticContact NE2-CE1 3.9Å
422	F	75.7	Confident	77.5	Confident	93 Å²	93	62.8 Å²	62.8	41%	0.408	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-39	-174.9	-176.7	-103.3	0	0	0	113	I418 T424 L425 R426	I418-F422 HydrophobicContact CG2-CB 4.15Å; I418-F422 HydrophobicContact CG2-CD2 4.1Å; I418-F422 HydrophobicContact CG2-CG 4.43Å; I418-F422 WeakPolarHBondContact O-CA 3.48Å; I418-F422 WeakPolarHBondContact O-CB 3.24Å; I418-F422 PolarHBondContact O-N 3.15Å; F422-T424 PolarHBondContact O-N 2.94Å; F422-L425 PolarHBondContact O-N 3.32Å; F422-R426 VanDerWaalsContact O-CB 3.31Å; F422-R426 WeakPolarHBondContact O-CB 3.45Å; F422-R426 PolarHBondContact O-N 2.99Å
423	S	76.4	Confident	77.1	Confident	70 Å²	70	65 Å²	65	49%	0.49	32%	0.319	S	S	.	.	H	α-helix	trans	-64.5	-38.1	179.3	58.7	0	0	0	0	112.7	H421 K427	H421-S423 VanDerWaalsContact C-N 3.32Å; H421-S423 PolarHBondContact O-N 2.65Å; S423-K427 WeakPolarHBondContact O-CG 3.43Å
424	T	76.2	Confident	76.9	Confident	4 Å²	4	62 Å²	62	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-73.3	-43.7	176.5	-52.2	0	0	0	0	110.8	H421 F422 K427 I469 K471 F525	H421-T424 PolarHBondContact O-N 3.04Å; H421-T424 VanDerWaalsContact O-N 3.17Å; F422-T424 PolarHBondContact O-N 2.94Å; T424-K427 WeakPolarHBondContact O-CB 3.36Å; T424-K427 PolarHBondContact O-N 3.31Å; T424-I469 HydrophobicContact CG2-CG2 4.25Å; T424-K471 HydrophobicContact CG2-CB 4.4Å; T424-K471 HydrophobicContact CG2-CG 4.43Å; T424-F525 HydrophobicContact CG2-CE2 4.36Å
425	L	76.3	Confident	77.1	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-70.1	-34	-178.1	-74	174.1	0	0	0	113.6	H421 F422 K427 V428 F431 V443 L446 I469	H421-L425 HydrophobicContact CB-CD1 4.46Å; H421-L425 PolarHBondContact O-N 2.89Å; F422-L425 PolarHBondContact O-N 3.32Å; L425-K427 PolarHBondContact O-N 3.14Å; L425-V428 WeakPolarHBondContact O-CB 3.33Å; L425-V428 PolarHBondContact O-N 3.16Å; L425-F431 HydrophobicContact CD2-CD2 4.15Å; L425-F431 HydrophobicContact CD2-CE2 4.49Å; L425-V443 HydrophobicContact CD1-CB 4.4Å; L425-V443 HydrophobicContact CD1-CG2 3.07Å; L425-L446 HydrophobicContact CD1-CD1 4.09Å; L425-L446 HydrophobicContact CD2-CD1 4.04Å; L425-L446 HydrophobicContact CG-CD1 4.4Å; L425-I469 HydrophobicContact CD2-CD1 3.69Å
426	R	76.6	Confident	77	Confident	169 Å²	169	66.5 Å²	66.5	64%	0.638	34%	0.342	S	S	*	.	H	α-helix	trans	-66.6	-24.9	174.3	-159.9	-179.3	79.2	179.4	5.2	112.6	F422 V428 Q432	F422-R426 VanDerWaalsContact O-CB 3.31Å; F422-R426 WeakPolarHBondContact O-CB 3.45Å; F422-R426 PolarHBondContact O-N 2.99Å; R426-V428 VanDerWaalsContact C-N 3.27Å; R426-Q432 VanDerWaalsContact O-CG 3.22Å; R426-Q432 WeakPolarHBondContact O-CG 3.33Å; R426-Q432 PolarHBondContact O-NE2 3.39Å
427	K	77.3	Confident	77	Confident	101 Å²	101	64.6 Å²	64.6	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-74.4	-19.5	173.5	-68.5	172.3	-175.5	179.5	0	112.2	S423 T424 L425 T429 E491	S423-K427 WeakPolarHBondContact O-CG 3.43Å; T424-K427 WeakPolarHBondContact O-CB 3.36Å; T424-K427 PolarHBondContact O-N 3.31Å; L425-K427 PolarHBondContact O-N 3.14Å; K427-T429 PolarHBondContact O-N 3.24Å; K427-E491 HydrophobicContact CD-CG 4.47Å; K427-E491 IonicContact NZ-OE1 3.61Å; K427-E491 PolarHBondContact NZ-OE1 2.86Å; K427-E491 IonicContact NZ-OE2 3.38Å; K427-E491 PolarHBondContact NZ-OE2 3.18Å
428	V	77.4	Confident	77.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.336	C	S	.	.			trans	-75	109.9	179.5	174.4	0	0	0	0	109.5	L425 R426 I430 F431 Q432 I469 V494	L425-V428 WeakPolarHBondContact O-CB 3.33Å; L425-V428 PolarHBondContact O-N 3.16Å; R426-V428 VanDerWaalsContact C-N 3.27Å; V428-I430 HydrophobicContact CG1-CB 4.22Å; V428-I430 HydrophobicContact CG1-CG1 4.45Å; V428-I430 PolarHBondContact O-N 3.11Å; V428-F431 HydrophobicContact CB-CB 4.48Å; V428-F431 HydrophobicContact CB-CD2 3.83Å; V428-F431 HydrophobicContact CG1-CB 4.34Å; V428-F431 HydrophobicContact CG1-CD2 3.34Å; V428-F431 HydrophobicContact CG1-CE2 3.84Å; V428-F431 HydrophobicContact CG1-CG 4.03Å; V428-F431 HydrophobicContact CG2-CD2 4.43Å; V428-F431 PolarHBondContact O-N 3.09Å; V428-Q432 PolarHBondContact O-N 3.13Å; V428-I469 HydrophobicContact CG2-CD1 4.47Å; V428-I469 HydrophobicContact CG2-CG2 3.56Å; V428-V494 HydrophobicContact CB-CG2 4.18Å; V428-V494 HydrophobicContact CG1-CG2 3.31Å; V428-V494 HydrophobicContact CG2-CG2 3.85Å
429	T	73.9	Confident	77.5	Confident	85 Å²	85	63.1 Å²	63.1	52%	0.521	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.9	-176.4	61.9	0	0	0	0	114.4	K427 K549	K427-T429 PolarHBondContact O-N 3.24Å; T429-K549 PolarHBondContact OG1-NZ 3.24Å
430	I	73.4	Confident	77.6	Confident	11 Å²	11	57 Å²	57	6%	0.056	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-24	179	-44.8	172.7	0	0	0	111.8	V428 V494 L546 K549	V428-I430 HydrophobicContact CG1-CB 4.22Å; V428-I430 HydrophobicContact CG1-CG1 4.45Å; V428-I430 PolarHBondContact O-N 3.11Å; I430-V494 HydrophobicContact CD1-CB 4.28Å; I430-V494 HydrophobicContact CD1-CG1 4.14Å; I430-L546 HydrophobicContact CG2-CD2 3.32Å; I430-L546 HydrophobicContact CG2-CG 3.86Å; I430-K549 HydrophobicContact CG1-CD 3.98Å; I430-K549 HydrophobicContact CG2-CD 4.32Å
431	F	75	Confident	77.9	Confident	4 Å²	4	58 Å²	58	2%	0.018	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	2.8	-174.9	-58.6	-45.7	0	0	0	113.3	L425 V428 C434 L439 L442 M467 I469 L546	L425-F431 HydrophobicContact CD2-CD2 4.15Å; L425-F431 HydrophobicContact CD2-CE2 4.49Å; V428-F431 HydrophobicContact CB-CB 4.48Å; V428-F431 HydrophobicContact CB-CD2 3.83Å; V428-F431 HydrophobicContact CG1-CB 4.34Å; V428-F431 HydrophobicContact CG1-CD2 3.34Å; V428-F431 HydrophobicContact CG1-CE2 3.84Å; V428-F431 HydrophobicContact CG1-CG 4.03Å; V428-F431 HydrophobicContact CG2-CD2 4.43Å; V428-F431 PolarHBondContact O-N 3.09Å; F431-C434 PolarHBondContact O-N 3.4Å; F431-L439 HydrophobicContact CB-CD2 3.81Å; F431-L442 HydrophobicContact CD1-CD1 3.92Å; F431-L442 HydrophobicContact CE1-CD1 3.61Å; F431-L442 HydrophobicContact CE2-CD1 4.4Å; F431-L442 HydrophobicContact CG-CD1 4.46Å; F431-L442 HydrophobicContact CZ-CD1 3.88Å; F431-M467 HydrophobicContact CE2-CE 4.49Å; F431-M467 HydrophobicContact CZ-CE 4.25Å; F431-I469 HydrophobicContact CE2-CD1 3.99Å; F431-L546 HydrophobicContact CE1-CD1 4.45Å
432	Q	75.2	Confident	78.4	Confident	104 Å²	104	56.6 Å²	56.6	49%	0.486	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-38.7	179.1	-80.1	174.7	-3.2	0	0	112.7	R426 V428	R426-Q432 VanDerWaalsContact O-CG 3.22Å; R426-Q432 WeakPolarHBondContact O-CG 3.33Å; R426-Q432 PolarHBondContact O-NE2 3.39Å; V428-Q432 PolarHBondContact O-N 3.13Å
433	D	74.6	Confident	78.7	Confident	128 Å²	128	52.5 Å²	52.5	68%	0.684	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	8.4	-176.8	-56.9	-42.5	0	0	0	113	M545	D433-M545 HydrophobicContact CB-CE 3.9Å; D433-M545 HydrophobicContact CB-SD 4.25Å
434	C	77.3	Confident	78.9	Confident	19 Å²	19	51.2 Å²	51.2	13%	0.128	27%	0.268	C	S	.	.	S	Bend	trans	-86.3	148.9	-178.7	-71.4	0	0	0	0	112	F431 L438	F431-C434 PolarHBondContact O-N 3.4Å; C434-L438 HydrophobicContact CB-CD2 3.61Å; C434-L438 VanDerWaalsContact SG-CD2 3.54Å
435	E	81.6	Confident	79.3	Confident	135 Å²	135	52 Å²	52	63%	0.631	28%	0.275	S	S	*	.			trans	-58.8	144.3	173.6	-63.7	178.6	-177.9	0	0	111.7	G437 L438 L439	E435-G437 PolarHBondContact O-N 3.17Å; E435-G437 VanDerWaalsContact O-N 3.14Å; E435-L438 WeakPolarHBondContact O-CB 3.43Å; E435-L438 PolarHBondContact O-N 2.97Å; E435-L439 PolarHBondContact O-N 2.72Å
436	A	80	Confident	79.7	Confident	73 Å²	73	52.9 Å²	52.9	60%	0.603	28%	0.28	S	S	*	.	H	α-helix	trans	-57.3	-33.1	-179.2	0	0	0	0	0	113	L438 L439 V440	A436-L438 VanDerWaalsContact C-N 3.35Å; A436-L438 PolarHBondContact O-N 3.36Å; A436-L439 WeakPolarHBondContact O-CB 3.27Å; A436-L439 PolarHBondContact O-N 2.84Å; A436-V440 VanDerWaalsContact O-CG2 3.3Å; A436-V440 WeakPolarHBondContact O-CG2 3.49Å; A436-V440 PolarHBondContact O-N 3.39Å
437	G	81.6	Confident	80.2	Confident	29 Å²	29	50.1 Å²	50.1	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-59.8	-41.6	176.4	0	0	0	0	0	113	E435 L439 V440 E441 Y539	E435-G437 PolarHBondContact O-N 3.17Å; E435-G437 VanDerWaalsContact O-N 3.14Å; G437-L439 VanDerWaalsContact C-N 3.32Å; G437-L439 PolarHBondContact O-N 3.49Å; G437-V440 PolarHBondContact O-N 2.88Å; G437-E441 PolarHBondContact O-N 3.5Å; G437-Y539 VanDerWaalsContact C-OH 3.28Å
438	L	84.9	Confident	80.6	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-43.3	175.5	177.5	69.6	0	0	0	111	C434 E435 A436 V440 E441 L442 V535 L536 Y539 A542	C434-L438 HydrophobicContact CB-CD2 3.61Å; C434-L438 VanDerWaalsContact SG-CD2 3.54Å; E435-L438 WeakPolarHBondContact O-CB 3.43Å; E435-L438 PolarHBondContact O-N 2.97Å; A436-L438 VanDerWaalsContact C-N 3.35Å; A436-L438 PolarHBondContact O-N 3.36Å; L438-V440 VanDerWaalsContact C-N 3.28Å; L438-V440 PolarHBondContact O-N 3.03Å; L438-E441 PolarHBondContact O-N 3.46Å; L438-L442 HydrophobicContact CD1-CD1 4.14Å; L438-L442 HydrophobicContact CD1-CG 4.13Å; L438-L442 HydrophobicContact CD2-CD1 4.2Å; L438-L442 HydrophobicContact CG-CD1 3.8Å; L438-L442 HydrophobicContact CG-CG 4.19Å; L438-L442 WeakPolarHBondContact O-CB 3.39Å; L438-L442 VanDerWaalsContact O-CG 3.3Å; L438-L442 WeakPolarHBondContact O-CG 3.3Å; L438-L442 PolarHBondContact O-N 3.15Å; L438-V535 HydrophobicContact CD1-CG1 3.36Å; L438-L536 HydrophobicContact CD1-CD2 4.48Å; L438-Y539 HydrophobicContact CB-CD1 4.13Å; L438-Y539 HydrophobicContact CB-CD2 4.12Å; L438-Y539 HydrophobicContact CB-CE1 4.27Å; L438-Y539 HydrophobicContact CB-CE2 4.26Å; L438-Y539 HydrophobicContact CB-CG 4.06Å; L438-Y539 HydrophobicContact CD1-CD2 3.48Å; L438-Y539 VanDerWaalsContact CD1-CD2 3.48Å; L438-Y539 HydrophobicContact CD1-CE2 4.14Å; L438-Y539 HydrophobicContact CD1-CG 3.81Å; L438-Y539 HydrophobicContact CG-CD2 4.41Å; L438-Y539 HydrophobicContact CG-CG 4.46Å; L438-A542 HydrophobicContact CD2-CB 3.42Å; L438-A542 VanDerWaalsContact CD2-CB 3.42Å
439	L	82.3	Confident	81.1	Confident	26 Å²	26	50 Å²	50	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-40.2	179.6	-62.2	178	0	0	0	111.3	F431 E435 A436 G437 V443	F431-L439 HydrophobicContact CB-CD2 3.81Å; E435-L439 PolarHBondContact O-N 2.72Å; A436-L439 WeakPolarHBondContact O-CB 3.27Å; A436-L439 PolarHBondContact O-N 2.84Å; G437-L439 VanDerWaalsContact C-N 3.32Å; G437-L439 PolarHBondContact O-N 3.49Å; L439-V443 VanDerWaalsContact O-CB 3.27Å; L439-V443 WeakPolarHBondContact O-CB 3.09Å; L439-V443 WeakPolarHBondContact O-CG2 3.41Å; L439-V443 PolarHBondContact O-N 3.47Å
440	V	81.1	Confident	82	Confident	36 Å²	36	46.7 Å²	46.7	22%	0.218	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-49	178.1	-175.6	0	0	0	0	111.5	A414 I418 A436 G437 L438 V443 L444	A414-V440 HydrophobicContact CB-CG1 3.65Å; I418-V440 HydrophobicContact CD1-CB 4.18Å; I418-V440 HydrophobicContact CD1-CG1 4.03Å; I418-V440 HydrophobicContact CD1-CG2 3.38Å; I418-V440 HydrophobicContact CG1-CG2 4.1Å; A436-V440 VanDerWaalsContact O-CG2 3.3Å; A436-V440 WeakPolarHBondContact O-CG2 3.49Å; A436-V440 PolarHBondContact O-N 3.39Å; G437-V440 PolarHBondContact O-N 2.88Å; L438-V440 VanDerWaalsContact C-N 3.28Å; L438-V440 PolarHBondContact O-N 3.03Å; V440-V443 PolarHBondContact O-N 2.97Å; V440-L444 HydrophobicContact CG1-CD1 4.42Å; V440-L444 WeakPolarHBondContact O-CG 3.28Å; V440-L444 PolarHBondContact O-N 3.19Å; V440-L444 VanDerWaalsContact O-N 3.12Å
441	E	83.7	Confident	82.9	Confident	94 Å²	94	47.7 Å²	47.7	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-42.1	-179.4	-68.1	-59.6	140.2	0	0	111.6	G437 L438 L444 A445 V535 Y539	G437-E441 PolarHBondContact O-N 3.5Å; L438-E441 PolarHBondContact O-N 3.46Å; E441-L444 PolarHBondContact O-N 2.89Å; E441-A445 PolarHBondContact O-N 2.7Å; E441-V535 HydrophobicContact CB-CG1 3.82Å; E441-V535 HydrophobicContact CB-CG2 4.07Å; E441-Y539 HydrophobicContact CG-CE2 4.45Å
442	L	85.3	Confident	83.8	Confident	3 Å²	3	48 Å²	48	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-48	175	-70.9	176	0	0	0	111.3	F431 L438 L444 A445 L446 L527 L532 V535	F431-L442 HydrophobicContact CD1-CD1 3.92Å; F431-L442 HydrophobicContact CE1-CD1 3.61Å; F431-L442 HydrophobicContact CE2-CD1 4.4Å; F431-L442 HydrophobicContact CG-CD1 4.46Å; F431-L442 HydrophobicContact CZ-CD1 3.88Å; L438-L442 HydrophobicContact CD1-CD1 4.14Å; L438-L442 HydrophobicContact CD1-CG 4.13Å; L438-L442 HydrophobicContact CD2-CD1 4.2Å; L438-L442 HydrophobicContact CG-CD1 3.8Å; L438-L442 HydrophobicContact CG-CG 4.19Å; L438-L442 WeakPolarHBondContact O-CB 3.39Å; L438-L442 VanDerWaalsContact O-CG 3.3Å; L438-L442 WeakPolarHBondContact O-CG 3.3Å; L438-L442 PolarHBondContact O-N 3.15Å; L442-L444 PolarHBondContact O-N 2.98Å; L442-A445 CarbonylContact O-C 3.43Å; L442-A445 WeakPolarHBondContact O-CA 3.42Å; L442-A445 PolarHBondContact O-N 3.45Å; L442-L446 WeakPolarHBondContact O-CG 3.4Å; L442-L446 PolarHBondContact O-N 3.44Å; L442-L527 HydrophobicContact CD2-CD2 3.68Å; L442-L532 HydrophobicContact CD2-CD1 4.05Å; L442-V535 HydrophobicContact CD2-CB 4.37Å; L442-V535 HydrophobicContact CD2-CG1 4.03Å; L442-V535 HydrophobicContact CG-CG1 4.22Å
443	V	82	Confident	84.7	Confident	7 Å²	7	46 Å²	46	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-54.4	-41.4	178.5	161.9	0	0	0	0	112.2	A417 H421 L425 L439 V440 A445 L446	A417-V443 HydrophobicContact CB-CG1 3.17Å; H421-V443 HydrophobicContact CB-CG2 4.36Å; L425-V443 HydrophobicContact CD1-CB 4.4Å; L425-V443 HydrophobicContact CD1-CG2 3.07Å; L439-V443 VanDerWaalsContact O-CB 3.27Å; L439-V443 WeakPolarHBondContact O-CB 3.09Å; L439-V443 WeakPolarHBondContact O-CG2 3.41Å; L439-V443 PolarHBondContact O-N 3.47Å; V440-V443 PolarHBondContact O-N 2.97Å; V443-A445 PolarHBondContact O-N 3.2Å; V443-L446 PolarHBondContact O-N 3.47Å
444	L	80.7	Confident	85.5	Confident	44 Å²	44	41.9 Å²	41.9	23%	0.23	25%	0.246	C	C	.	.	H	α-helix	trans	-70.1	-21.3	179.6	-70.9	179.3	0	0	0	113.3	R413 A414 A417 V440 E441 L442	R413-L444 HydrophobicContact CG-CD2 4.05Å; A414-L444 HydrophobicContact CB-CD1 4.14Å; A414-L444 HydrophobicContact CB-CD2 4.23Å; A414-L444 HydrophobicContact CB-CG 4.44Å; A417-L444 HydrophobicContact CB-CD2 4.41Å; V440-L444 HydrophobicContact CG1-CD1 4.42Å; V440-L444 WeakPolarHBondContact O-CG 3.28Å; V440-L444 PolarHBondContact O-N 3.19Å; V440-L444 VanDerWaalsContact O-N 3.12Å; E441-L444 PolarHBondContact O-N 2.89Å; L442-L444 PolarHBondContact O-N 2.98Å
445	A	84.9	Confident	86.3	Confident	20 Å²	20	42 Å²	42	17%	0.165	25%	0.246	C	C	.	.	H	α-helix	trans	-95.7	-13.7	178	0	0	0	0	0	113.9	E441 L442 V443 Q447 L527 D531	E441-A445 PolarHBondContact O-N 2.7Å; L442-A445 CarbonylContact O-C 3.43Å; L442-A445 WeakPolarHBondContact O-CA 3.42Å; L442-A445 PolarHBondContact O-N 3.45Å; V443-A445 PolarHBondContact O-N 3.2Å; A445-Q447 PolarHBondContact O-N 2.9Å; A445-L527 HydrophobicContact CB-CD1 3.62Å; A445-D531 HydrophobicContact CB-CB 3.97Å
446	L	85.4	Confident	86.9	Confident	22 Å²	22	39.6 Å²	39.6	12%	0.115	23%	0.231	C	C	.	.			trans	-68.6	129.6	178.9	-69.2	172.1	0	0	0	111.5	L425 L442 V443 I469 F525 L527	L425-L446 HydrophobicContact CD1-CD1 4.09Å; L425-L446 HydrophobicContact CD2-CD1 4.04Å; L425-L446 HydrophobicContact CG-CD1 4.4Å; L442-L446 WeakPolarHBondContact O-CG 3.4Å; L442-L446 PolarHBondContact O-N 3.44Å; V443-L446 PolarHBondContact O-N 3.47Å; L446-I469 HydrophobicContact CD2-CD1 4.06Å; L446-F525 HydrophobicContact CB-CB 4.15Å; L446-F525 HydrophobicContact CB-CD1 4.03Å; L446-F525 HydrophobicContact CB-CG 4.29Å; L446-F525 HydrophobicContact CD1-CB 4.22Å; L446-F525 HydrophobicContact CD1-CD2 4.49Å; L446-F525 HydrophobicContact CD1-CG 4.19Å; L446-F525 HydrophobicContact CD2-CB 3.83Å; L446-F525 HydrophobicContact CG-CB 4.26Å; L446-L527 HydrophobicContact CD2-CB 3.95Å; L446-L527 HydrophobicContact CD2-CD1 4.43Å
447	Q	86.2	Confident	87.6	Confident	110 Å²	110	37 Å²	37	51%	0.514	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.9	174.1	-63.2	-176.2	1.4	0	0	110.3	A445 Q449 F525 A526	A445-Q447 PolarHBondContact O-N 2.9Å; Q447-Q449 PolarHBondContact O-N 3.07Å; Q447-F525 CarbonylContact O-C 3.6Å; Q447-F525 WeakPolarHBondContact O-CA 3.48Å; Q447-A526 PolarHBondContact N-O 3.36Å; Q447-A526 PolarHBondContact O-N 2.97Å
448	L	86	Confident	88.2	Confident	52 Å²	52	35.9 Å²	35.9	27%	0.272	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.4	177.3	-175.5	68	0	0	0	110.5	I397 K471 N523 F525	I397-L448 HydrophobicContact CG2-CD2 3.81Å; L448-K471 HydrophobicContact CD1-CD 4.2Å; L448-N523 HydrophobicContact CD1-CB 4.19Å; L448-F525 HydrophobicContact CB-CD1 4.44Å; L448-F525 HydrophobicContact CB-CE1 4.33Å; L448-F525 HydrophobicContact CD1-CD1 4.15Å; L448-F525 HydrophobicContact CD1-CE1 3.87Å; L448-F525 HydrophobicContact CD1-CZ 4.39Å
449	Q	89.2	Confident	88.6	Confident	48 Å²	48	41.1 Å²	41.1	22%	0.224	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.3	174.4	-64.8	-173.9	10.6	0	0	110.7	Q447 F451 E466 L524 A526	Q447-Q449 PolarHBondContact O-N 3.07Å; Q449-F451 HydrophobicContact CB-CE2 3.87Å; Q449-F451 HydrophobicContact CB-CZ 4.48Å; Q449-E466 PolarHBondContact NE2-OE2 3.36Å; Q449-E466 VanDerWaalsContact NE2-OE2 3.14Å; Q449-L524 PolarHBondContact N-O 2.91Å; Q449-L524 PolarHBondContact O-N 3.25Å; Q449-A526 HydrophobicContact CG-CB 4Å; Q449-A526 VanDerWaalsContact NE2-CB 3.28Å
450	V	91.3	Very high	89.1	Confident	15 Å²	15	45.2 Å²	45.2	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.1	-178	-177.5	0	0	0	0	110.9	W388 Y391 Q392 I397 S522 N523	W388-V450 PolarHBondContact NE1-O 3.43Å; Y391-V450 HydrophobicContact CD1-CG1 4.09Å; Y391-V450 HydrophobicContact CE1-CG1 3.71Å; Q392-V450 VanDerWaalsContact NE2-CG1 3.27Å; Q392-V450 VanDerWaalsContact NE2-CG2 3.26Å; I397-V450 HydrophobicContact CD1-CG2 4.08Å; I397-V450 HydrophobicContact CG2-CG2 3.88Å; V450-S522 WeakPolarHBondContact CA-O 3.28Å; V450-N523 WeakPolarHBondContact CG2-OD1 3.35Å
451	F	93.1	Very high	89.5	Confident	32 Å²	32	45.2 Å²	45.2	14%	0.14	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.3	179.8	-66.2	-91.1	0	0	0	110.8	Q449 D455 I457 Y521 S522 L524	Q449-F451 HydrophobicContact CB-CE2 3.87Å; Q449-F451 HydrophobicContact CB-CZ 4.48Å; F451-D455 HydrophobicContact CB-CB 4.4Å; F451-D455 HydrophobicContact CD1-CB 4.42Å; F451-I457 HydrophobicContact CB-CG1 4.24Å; F451-I457 HydrophobicContact CD1-CB 4.41Å; F451-I457 HydrophobicContact CD1-CG1 3.59Å; F451-I457 HydrophobicContact CD2-CG1 3.92Å; F451-I457 HydrophobicContact CE1-CB 4.2Å; F451-I457 HydrophobicContact CE1-CG1 3.85Å; F451-I457 HydrophobicContact CE1-CG2 4.14Å; F451-I457 HydrophobicContact CE2-CG1 4.17Å; F451-I457 HydrophobicContact CE2-CG2 4.2Å; F451-I457 HydrophobicContact CG-CD1 4.45Å; F451-I457 HydrophobicContact CG-CG1 3.63Å; F451-I457 HydrophobicContact CZ-CB 4.4Å; F451-I457 HydrophobicContact CZ-CG1 4.13Å; F451-I457 HydrophobicContact CZ-CG2 3.86Å; F451-Y521 VanDerWaalsContact O-CA 3.31Å; F451-Y521 WeakPolarHBondContact O-CA 3.5Å; F451-S522 PolarHBondContact N-O 3.11Å; F451-S522 PolarHBondContact O-N 2.86Å; F451-L524 HydrophobicContact CD2-CD1 3.63Å; F451-L524 HydrophobicContact CD2-CG 3.99Å; F451-L524 HydrophobicContact CE2-CB 4.41Å; F451-L524 HydrophobicContact CE2-CD1 3.63Å; F451-L524 HydrophobicContact CE2-CG 4.2Å
452	S	92.9	Very high	89.9	Confident	10 Å²	10	44.4 Å²	44.4	7%	0.07	24%	0.24	C	C	.	.			trans	-84.8	162.8	178.7	-30.1	0	0	0	0	111	G454 D455 S518 G520	S452-G454 PolarHBondContact O-N 2.71Å; S452-D455 WeakPolarHBondContact CA-OD2 3.09Å; S452-D455 WeakPolarHBondContact CB-OD2 3.38Å; S452-D455 PolarHBondContact N-OD2 2.77Å; S452-D455 WeakPolarHBondContact O-CB 3.49Å; S452-D455 PolarHBondContact O-N 2.94Å; S452-D455 VanDerWaalsContact O-N 3.14Å; S452-D455 PolarHBondContact OG-OD2 3.08Å; S452-S518 WeakPolarHBondContact O-CB 3.3Å; S452-G520 CarbonylContact C-O 3.51Å
453	P	94.3	Very high	90.3	Very high	62 Å²	62	47.2 Å²	47.2	40%	0.403	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	132	171.8	-20.1	29.6	0	0	0	111.5	D455 G520 Y521	P453-D455 VanDerWaalsContact C-N 3.27Å; P453-D455 PolarHBondContact O-N 3.39Å; P453-G520 WeakPolarHBondContact CA-O 3.4Å; P453-Y521 HydrophobicContact CG-CD2 3.89Å; P453-Y521 HydrophobicContact CG-CE2 3.89Å; P453-Y521 HydrophobicContact CG-CG 4.37Å
454	G	92.1	Very high	90.7	Very high	41 Å²	41	47.1 Å²	47.1	42%	0.423	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-8.4	-179.5	0	0	0	0	0	115.1	S452 Y456 R517 S518	S452-G454 PolarHBondContact O-N 2.71Å; G454-Y456 PolarHBondContact O-N 3.1Å; G454-R517 WeakPolarHBondContact O-CG 3.37Å; G454-S518 WeakPolarHBondContact CA-O 3.26Å; G454-S518 PolarHBondContact N-O 2.99Å
455	D	93.5	Very high	91.2	Very high	22 Å²	22	52.1 Å²	52.1	12%	0.118	28%	0.277	C	S	.	.			trans	-68	133.5	178	-73.6	-20.1	0	0	0	111.2	R384 F451 S452 P453 R517 S518	R384-D455 IonicContact CZ-OD1 2.68Å; R384-D455 IonicContact NE-OD1 3.51Å; R384-D455 IonicContact NH1-OD1 3.26Å; R384-D455 IonicContact NH2-OD1 3.06Å; R384-D455 PolarHBondContact NH2-OD1 3.08Å; R384-D455 IonicContact NH2-OD2 3.27Å; F451-D455 HydrophobicContact CB-CB 4.4Å; F451-D455 HydrophobicContact CD1-CB 4.42Å; S452-D455 WeakPolarHBondContact CA-OD2 3.09Å; S452-D455 WeakPolarHBondContact CB-OD2 3.38Å; S452-D455 PolarHBondContact N-OD2 2.77Å; S452-D455 WeakPolarHBondContact O-CB 3.49Å; S452-D455 PolarHBondContact O-N 2.94Å; S452-D455 VanDerWaalsContact O-N 3.14Å; S452-D455 PolarHBondContact OG-OD2 3.08Å; P453-D455 VanDerWaalsContact C-N 3.27Å; P453-D455 PolarHBondContact O-N 3.39Å; D455-R517 CarbonylContact O-C 3.56Å; D455-R517 WeakPolarHBondContact O-CA 3.29Å; D455-S518 PolarHBondContact O-N 2.66Å
456	Y	94.4	Very high	91.6	Very high	84 Å²	84	53.1 Å²	53.1	33%	0.329	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	118.2	168	-75.7	-100.2	0	0	0	108.6	G454 K459 V478 N515 I516 R517	G454-Y456 PolarHBondContact O-N 3.1Å; Y456-K459 HydrophobicContact CD1-CG 4.12Å; Y456-K459 HydrophobicContact CG-CG 4.36Å; Y456-V478 HydrophobicContact CE1-CG2 3.71Å; Y456-N515 HydrophobicContact CD1-CB 4.24Å; Y456-N515 HydrophobicContact CE1-CB 4.05Å; Y456-I516 CarbonylContact C-O 3.44Å; Y456-I516 WeakPolarHBondContact CA-O 3.48Å; Y456-R517 HydrophobicContact CD1-CB 4.34Å; Y456-R517 HydrophobicContact CD2-CG 4.4Å; Y456-R517 HydrophobicContact CE1-CB 4.31Å; Y456-R517 HydrophobicContact CE2-CG 4.32Å; Y456-R517 PolarHBondContact OH-NH1 3.3Å
457	I	95.1	Very high	91.9	Very high	18 Å²	18	52.1 Å²	52.1	9%	0.092	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-39	176.5	-64.1	143.9	0	0	0	109.9	F451 Y468 L475 F495 I516 L524	F451-I457 HydrophobicContact CB-CG1 4.24Å; F451-I457 HydrophobicContact CD1-CB 4.41Å; F451-I457 HydrophobicContact CD1-CG1 3.59Å; F451-I457 HydrophobicContact CD2-CG1 3.92Å; F451-I457 HydrophobicContact CE1-CB 4.2Å; F451-I457 HydrophobicContact CE1-CG1 3.85Å; F451-I457 HydrophobicContact CE1-CG2 4.14Å; F451-I457 HydrophobicContact CE2-CG1 4.17Å; F451-I457 HydrophobicContact CE2-CG2 4.2Å; F451-I457 HydrophobicContact CG-CD1 4.45Å; F451-I457 HydrophobicContact CG-CG1 3.63Å; F451-I457 HydrophobicContact CZ-CB 4.4Å; F451-I457 HydrophobicContact CZ-CG1 4.13Å; F451-I457 HydrophobicContact CZ-CG2 3.86Å; I457-Y468 HydrophobicContact CG2-CD2 3.98Å; I457-Y468 HydrophobicContact CG2-CE2 3.85Å; I457-Y468 HydrophobicContact CG2-CG 4.4Å; I457-L475 HydrophobicContact CD1-CD1 3.72Å; I457-L475 HydrophobicContact CD1-CD2 3.4Å; I457-L475 HydrophobicContact CD1-CG 4.12Å; I457-F495 HydrophobicContact CD1-CZ 4.3Å; I457-F495 HydrophobicContact CG2-CE2 3.83Å; I457-F495 HydrophobicContact CG2-CZ 3.91Å; I457-I516 HydrophobicContact CD1-CG2 4.06Å; I457-I516 PolarHBondContact N-O 2.9Å; I457-L524 HydrophobicContact CD1-CD1 3.71Å; I457-L524 HydrophobicContact CG1-CD1 4.01Å; I457-L524 HydrophobicContact CG2-CD1 3.98Å
458	C	93.9	Very high	92.2	Very high	7 Å²	7	47.8 Å²	47.8	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	146.9	169.8	57.5	0	0	0	0	110	R512 N515 I516	C458-R512 HydrophobicContact CB-CG 4.04Å; C458-N515 WeakPolarHBondContact O-CA 3.21Å; C458-I516 PolarHBondContact O-N 3.49Å
459	K	93.5	Very high	92.5	Very high	111 Å²	111	45.3 Å²	45.3	48%	0.483	24%	0.24	S	C	.	.			trans	-105.8	151.2	168.6	-60.9	-178.8	178.7	-178.4	0	109.8	Y456 G461 D462 R512 N515	Y456-K459 HydrophobicContact CD1-CG 4.12Å; Y456-K459 HydrophobicContact CG-CG 4.36Å; K459-G461 PolarHBondContact O-N 2.94Å; K459-D462 WeakPolarHBondContact CB-OD2 3.19Å; K459-D462 PolarHBondContact N-OD2 3.45Å; K459-D462 WeakPolarHBondContact O-CB 3.28Å; K459-D462 PolarHBondContact O-N 3.01Å; K459-D462 VanDerWaalsContact O-N 3.13Å; K459-R512 VanDerWaalsContact O-CB 3.3Å; K459-R512 WeakPolarHBondContact O-CB 3.42Å; K459-N515 VanDerWaalsContact CA-OD1 3.28Å; K459-N515 WeakPolarHBondContact CA-OD1 3.46Å
460	K	91.8	Very high	92.6	Very high	112 Å²	112	43 Å²	43	49%	0.487	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	131.3	173.1	-177.9	-176.8	173.8	-170.8	0	109	D480 N515	K460-D480 VanDerWaalsContact CD-OD1 3.22Å; K460-D480 WeakPolarHBondContact CD-OD1 3.28Å; K460-D480 IonicContact NZ-OD1 2.71Å; K460-D480 IonicContact NZ-OD2 2.7Å; K460-D480 PolarHBondContact NZ-OD2 3.38Å; K460-N515 PolarHBondContact N-OD1 3.37Å
461	G	90.5	Very high	92.5	Very high	36 Å²	36	44.8 Å²	44.8	37%	0.371	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-10.5	-176.7	0	0	0	0	0	115.7	K459 R511 R512	K459-G461 PolarHBondContact O-N 2.94Å; G461-R511 WeakPolarHBondContact O-CD 3.37Å; G461-R511 PolarHBondContact O-NH1 3.21Å; G461-R512 PolarHBondContact N-O 3.48Å
462	D	92.7	Very high	92.4	Very high	76 Å²	76	47 Å²	47	41%	0.406	25%	0.246	S	C	.	.	S	Bend	trans	-64.8	153.5	172.5	-73.4	-19.7	0	0	0	111	K459 G464 R511 R512	K459-D462 WeakPolarHBondContact CB-OD2 3.19Å; K459-D462 PolarHBondContact N-OD2 3.45Å; K459-D462 WeakPolarHBondContact O-CB 3.28Å; K459-D462 PolarHBondContact O-N 3.01Å; K459-D462 VanDerWaalsContact O-N 3.13Å; D462-G464 PolarHBondContact O-N 3.06Å; D462-R511 CarbonylContact O-C 3.51Å; D462-R511 VanDerWaalsContact O-CA 3.29Å; D462-R511 WeakPolarHBondContact O-CA 3.37Å; D462-R512 HydrophobicContact CB-CG 4.08Å; D462-R512 WeakPolarHBondContact O-CG 3.16Å; D462-R512 PolarHBondContact O-N 3.42Å
463	V	92.3	Very high	92.3	Very high	63 Å²	63	47.8 Å²	47.8	38%	0.382	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-73.7	119.8	173.3	-178.2	0	0	0	0	109.3	K465	V463-K465 HydrophobicContact CG1-CG 4.46Å; V463-K465 PolarHBondContact O-N 3.07Å
464	G	90	Very high	92.4	Very high	4 Å²	4	51.2 Å²	51.2	4%	0.041	26%	0.264	C	S	.	.			trans	-80.5	108.8	177.9	0	0	0	0	0	112.4	D462 N510 R512	D462-G464 PolarHBondContact O-N 3.06Å; G464-N510 PolarHBondContact N-O 3.14Å; G464-R512 VanDerWaalsContact CA-CZ 3.48Å
465	K	91.5	Very high	92.6	Very high	149 Å²	149	49.3 Å²	49.3	65%	0.648	24%	0.244	S	C	*	.			trans	-100.1	-22.3	179.1	-61.7	-178.5	-178.6	-179.9	0	113.8	V463 K529	V463-K465 HydrophobicContact CG1-CG 4.46Å; V463-K465 PolarHBondContact O-N 3.07Å; K465-K529 WeakPolarHBondContact O-CB 3.49Å; K465-K529 PolarHBondContact O-N 2.85Å
466	E	93.1	Very high	92.8	Very high	42 Å²	42	49.5 Å²	49.5	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.2	-170.4	-54.2	178.7	156.9	0	0	109.5	Q449 Y468 R512 L527	Q449-E466 PolarHBondContact NE2-OE2 3.36Å; Q449-E466 VanDerWaalsContact NE2-OE2 3.14Å; E466-Y468 PolarHBondContact OE2-OH 3.25Å; E466-R512 PolarHBondContact O-NH1 3.29Å; E466-R512 PolarHBondContact O-NH2 3.27Å; E466-L527 CarbonylContact C-O 3.58Å; E466-L527 WeakPolarHBondContact CA-O 3.43Å
467	M	91.5	Very high	92.8	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	157.2	161.3	60.4	178.4	-68.5	0	0	109.7	F431 I469 V494 I500 A526 L527 L532	F431-M467 HydrophobicContact CE2-CE 4.49Å; F431-M467 HydrophobicContact CZ-CE 4.25Å; M467-I469 HydrophobicContact CE-CG1 4.47Å; M467-V494 HydrophobicContact CE-CG1 3.33Å; M467-I500 HydrophobicContact CB-CD1 3.57Å; M467-I500 HydrophobicContact CG-CD1 3.56Å; M467-I500 HydrophobicContact SD-CD1 3.78Å; M467-A526 WeakPolarHBondContact O-CA 3.37Å; M467-L527 HydrophobicContact CG-CB 3.77Å; M467-L527 HydrophobicContact CG-CD2 4.37Å; M467-L527 PolarHBondContact N-O 3.46Å; M467-L527 PolarHBondContact O-N 3.09Å; M467-L527 HydrophobicContact SD-CB 4.42Å; M467-L527 HydrophobicContact SD-CD2 3.97Å; M467-L532 HydrophobicContact SD-CD2 4.11Å
468	Y	93.7	Very high	92.8	Very high	18 Å²	18	45.9 Å²	45.9	7%	0.071	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141	-179.4	-61.1	-77.1	0	0	0	111.6	I457 E466 V494 F495 L524 F525 A526	I457-Y468 HydrophobicContact CG2-CD2 3.98Å; I457-Y468 HydrophobicContact CG2-CE2 3.85Å; I457-Y468 HydrophobicContact CG2-CG 4.4Å; E466-Y468 PolarHBondContact OE2-OH 3.25Å; Y468-V494 WeakPolarHBondContact O-CA 3.47Å; Y468-F495 HydrophobicContact CD2-CD2 4.03Å; Y468-F495 AromaticContact CD2-CE2 3.39Å; Y468-F495 HydrophobicContact CD2-CE2 3.39Å; Y468-F495 AromaticContact CD2-CZ 3.85Å; Y468-F495 HydrophobicContact CD2-CZ 3.85Å; Y468-F495 HydrophobicContact CE2-CE2 4.36Å; Y468-F495 HydrophobicContact CG-CE1 4.45Å; Y468-F495 AromaticContact CG-CE2 3.84Å; Y468-F495 HydrophobicContact CG-CE2 3.84Å; Y468-F495 AromaticContact CG-CZ 3.8Å; Y468-F495 HydrophobicContact CG-CZ 3.8Å; Y468-F495 PolarHBondContact N-O 2.7Å; Y468-F495 PolarHBondContact O-N 3.47Å; Y468-L524 HydrophobicContact CD1-CB 4.21Å; Y468-L524 HydrophobicContact CD1-CD1 4.23Å; Y468-L524 HydrophobicContact CG-CD1 4.33Å; Y468-F525 CarbonylContact C-O 3.47Å; Y468-F525 VanDerWaalsContact CA-O 3.25Å; Y468-F525 WeakPolarHBondContact CA-O 3.26Å; Y468-A526 HydrophobicContact CD1-CB 3.83Å; Y468-A526 HydrophobicContact CE1-CB 3.58Å
469	I	91.6	Very high	92.8	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.5	172.1	-49.9	177.3	0	0	0	107.8	T424 L425 V428 F431 L446 M467 K471 V494 L524 F525	T424-I469 HydrophobicContact CG2-CG2 4.25Å; L425-I469 HydrophobicContact CD2-CD1 3.69Å; V428-I469 HydrophobicContact CG2-CD1 4.47Å; V428-I469 HydrophobicContact CG2-CG2 3.56Å; F431-I469 HydrophobicContact CE2-CD1 3.99Å; L446-I469 HydrophobicContact CD2-CD1 4.06Å; M467-I469 HydrophobicContact CE-CG1 4.47Å; I469-K471 PolarHBondContact O-N 3.08Å; I469-K471 VanDerWaalsContact O-N 3.16Å; I469-V494 HydrophobicContact CG1-CG2 4.16Å; I469-V494 HydrophobicContact CG2-CG2 4.37Å; I469-L524 WeakPolarHBondContact O-CA 3.43Å; I469-F525 HydrophobicContact CB-CB 4.28Å; I469-F525 PolarHBondContact N-O 3.07Å; I469-F525 PolarHBondContact O-N 2.91Å
470	V	92.5	Very high	92.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	108.7	178.9	-173.8	0	0	0	0	109.2	L475 L489 S490 E491 G492 A493 F495 L524	V470-L475 HydrophobicContact CG2-CD1 3.66Å; V470-L475 HydrophobicContact CG2-CG 4.3Å; V470-L489 HydrophobicContact CG2-CB 4.44Å; V470-S490 WeakPolarHBondContact CB-O 3.44Å; V470-E491 WeakPolarHBondContact O-CA 3.4Å; V470-G492 PolarHBondContact O-N 3.48Å; V470-A493 HydrophobicContact CG2-CB 4.22Å; V470-A493 PolarHBondContact N-O 3.06Å; V470-F495 HydrophobicContact CG2-CD1 4.22Å; V470-F495 HydrophobicContact CG2-CE1 3.89Å; V470-L524 HydrophobicContact CB-CD2 4.21Å; V470-L524 HydrophobicContact CG1-CD2 4.2Å; V470-L524 HydrophobicContact CG2-CD2 4Å
471	K	88.1	Confident	92.4	Very high	52 Å²	52	47.1 Å²	47.1	23%	0.226	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-44.6	173	-174.2	-164.8	-172.4	178.3	0	111.1	T424 L448 I469 E491 N523 F525	T424-K471 HydrophobicContact CG2-CB 4.4Å; T424-K471 HydrophobicContact CG2-CG 4.43Å; L448-K471 HydrophobicContact CD1-CD 4.2Å; I469-K471 PolarHBondContact O-N 3.08Å; I469-K471 VanDerWaalsContact O-N 3.16Å; K471-E491 WeakPolarHBondContact O-CG 3.47Å; K471-N523 HydrophobicContact CB-CB 4.48Å; K471-N523 VanDerWaalsContact CB-O 3.31Å; K471-N523 WeakPolarHBondContact CB-O 3.45Å; K471-N523 PolarHBondContact N-O 3.38Å; K471-F525 HydrophobicContact CB-CD2 3.97Å; K471-F525 HydrophobicContact CB-CE2 3.68Å; K471-F525 HydrophobicContact CB-CZ 4.38Å; K471-F525 HydrophobicContact CD-CE1 4.42Å; K471-F525 HydrophobicContact CD-CE2 3.61Å; K471-F525 HydrophobicContact CD-CZ 3.5Å; K471-F525 HydrophobicContact CG-CD2 4.39Å; K471-F525 HydrophobicContact CG-CE2 3.6Å; K471-F525 HydrophobicContact CG-CZ 4.05Å
472	E	90.5	Very high	92.1	Very high	78 Å²	78	45.8 Å²	45.8	36%	0.364	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	143.6	-176.6	-167.2	-171.6	150.7	0	0	109.7	R395 S522 N523	R395-E472 IonicContact CZ-OE1 3.53Å; R395-E472 IonicContact CZ-OE2 2.77Å; R395-E472 VanDerWaalsContact NH1-CD 3.29Å; R395-E472 IonicContact NH1-OE1 3.48Å; R395-E472 PolarHBondContact NH1-OE1 2.94Å; R395-E472 IonicContact NH1-OE2 3.52Å; R395-E472 PolarHBondContact NH1-OE2 3.25Å; R395-E472 VanDerWaalsContact NH2-CD 3.32Å; R395-E472 IonicContact NH2-OE1 2.69Å; R395-E472 PolarHBondContact NH2-OE1 3.14Å; R395-E472 VanDerWaalsContact NH2-OE1 3.13Å; R395-E472 IonicContact NH2-OE2 2.89Å; R395-E472 PolarHBondContact NH2-OE2 3.45Å; E472-S522 CarbonylContact O-C 3.55Å; E472-S522 WeakPolarHBondContact O-CA 3.48Å; E472-N523 HydrophobicContact CB-CB 4.11Å; E472-N523 PolarHBondContact N-O 3.3Å; E472-N523 VanDerWaalsContact N-O 3.13Å; E472-N523 PolarHBondContact O-N 3.49Å; E472-N523 PolarHBondContact OE2-ND2 3.3Å
473	G	92.4	Very high	91.9	Very high	26 Å²	26	46.2 Å²	46.2	27%	0.268	25%	0.246	S	C	.	.	S	Bend	trans	107.8	-177.2	-178.4	0	0	0	0	0	112.7
474	K	95.8	Very high	91.9	Very high	135 Å²	135	50.3 Å²	50.3	59%	0.587	26%	0.259	S	S	*	.			trans	-130.3	130.9	179.7	-67.4	-174.6	179.9	-178	0	108.9	T488 V519	K474-T488 HydrophobicContact CB-CG2 4.29Å; K474-V519 HydrophobicContact CB-CB 4.31Å; K474-V519 HydrophobicContact CB-CG2 4.35Å; K474-V519 WeakPolarHBondContact O-CB 3.47Å; K474-V519 WeakPolarHBondContact O-CG2 3.12Å; K474-V519 PolarHBondContact O-N 3.16Å
475	L	97.1	Very high	92.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139	178.1	-48.2	179.5	0	0	0	109.6	I457 V470 T488 L489 F495 I516 R517 S522 L524	I457-L475 HydrophobicContact CD1-CD1 3.72Å; I457-L475 HydrophobicContact CD1-CD2 3.4Å; I457-L475 HydrophobicContact CD1-CG 4.12Å; V470-L475 HydrophobicContact CG2-CD1 3.66Å; V470-L475 HydrophobicContact CG2-CG 4.3Å; L475-T488 CarbonylContact O-C 3.59Å; L475-T488 VanDerWaalsContact O-CA 3.25Å; L475-T488 WeakPolarHBondContact O-CA 3.15Å; L475-L489 HydrophobicContact CB-CB 4.2Å; L475-L489 PolarHBondContact N-O 3.45Å; L475-L489 PolarHBondContact O-N 3.15Å; L475-F495 HydrophobicContact CD1-CD1 4.19Å; L475-F495 HydrophobicContact CD1-CE1 3.27Å; L475-F495 HydrophobicContact CD1-CZ 3.57Å; L475-I516 HydrophobicContact CB-CG2 3.89Å; L475-I516 HydrophobicContact CD1-CG2 4.01Å; L475-R517 WeakPolarHBondContact CA-O 3.49Å; L475-S522 WeakPolarHBondContact CD2-OG 3.4Å; L475-L524 HydrophobicContact CD1-CD1 4.27Å; L475-L524 HydrophobicContact CD1-CD2 3.92Å
476	N	96.5	Very high	92.1	Very high	27 Å²	27	53.4 Å²	53.4	14%	0.144	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.1	174.1	-76.2	-12.1	0	0	0	109.8	V478 V485 T488 R517 V519	N476-V478 HydrophobicContact CB-CG1 3.98Å; N476-V485 HydrophobicContact CB-CG1 3.9Å; N476-V485 HydrophobicContact CB-CG2 4.26Å; N476-T488 WeakPolarHBondContact OD1-CG2 3.05Å; N476-T488 PolarHBondContact OD1-OG1 3.47Å; N476-R517 PolarHBondContact N-O 3.13Å; N476-R517 PolarHBondContact O-N 2.77Å; N476-V519 HydrophobicContact CB-CG2 4.19Å; N476-V519 VanDerWaalsContact CG-CG2 3.43Å; N476-V519 VanDerWaalsContact ND2-CG2 3.34Å; N476-V519 WeakPolarHBondContact ND2-CG2 3.48Å
477	V	95.5	Very high	92.1	Very high	23 Å²	23	53.6 Å²	53.6	14%	0.139	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.9	165.6	-173.1	0	0	0	0	107.1	V485 F486 A487 L489 A514 N515 I516	V477-V485 CarbonylContact O-C 3.47Å; V477-V485 WeakPolarHBondContact O-CA 3.45Å; V477-F486 HydrophobicContact CB-CB 4.48Å; V477-F486 HydrophobicContact CG1-CB 4.42Å; V477-F486 HydrophobicContact CG1-CD2 4.47Å; V477-F486 PolarHBondContact O-N 3.23Å; V477-A487 HydrophobicContact CB-CB 4.36Å; V477-A487 HydrophobicContact CG2-CB 4.18Å; V477-A487 PolarHBondContact N-O 2.89Å; V477-L489 HydrophobicContact CG2-CD1 4.28Å; V477-L489 HydrophobicContact CG2-CG 4.21Å; V477-A514 HydrophobicContact CG1-CB 3.83Å; V477-N515 CarbonylContact C-O 3.58Å; V477-N515 WeakPolarHBondContact CA-O 3.39Å; V477-I516 HydrophobicContact CG2-CG1 4.43Å
478	V	95.1	Very high	92.2	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.8	-171.2	-61.5	0	0	0	0	112.3	Y456 N476 K484 V485 N515 R517	Y456-V478 HydrophobicContact CE1-CG2 3.71Å; N476-V478 HydrophobicContact CB-CG1 3.98Å; V478-K484 CarbonylContact C-O 3.57Å; V478-K484 VanDerWaalsContact CA-O 3.29Å; V478-K484 WeakPolarHBondContact CA-O 3.38Å; V478-V485 HydrophobicContact CG1-CG2 4.34Å; V478-N515 HydrophobicContact CG2-CB 3.73Å; V478-N515 PolarHBondContact N-O 3.45Å; V478-N515 PolarHBondContact O-ND2 3.15Å; V478-R517 HydrophobicContact CG1-CB 4.45Å; V478-R517 HydrophobicContact CG2-CB 4.33Å
479	S	92.4	Very high	92.2	Very high	16 Å²	16	58.1 Å²	58.1	11%	0.112	31%	0.313	C	S	.	.			trans	-61	166.3	169	62.3	0	0	0	0	112.2	D481 G482 K484	S479-D481 PolarHBondContact O-N 2.9Å; S479-G482 WeakPolarHBondContact O-CA 3.46Å; S479-G482 PolarHBondContact O-N 3.36Å; S479-K484 PolarHBondContact N-O 3.22Å; S479-K484 PolarHBondContact OG-N 3.15Å
480	D	90.1	Very high	92.2	Very high	99 Å²	99	61.4 Å²	61.4	53%	0.529	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.9	177.6	-66.1	-26	0	0	0	111.3	K460 G482 N515	K460-D480 VanDerWaalsContact CD-OD1 3.22Å; K460-D480 WeakPolarHBondContact CD-OD1 3.28Å; K460-D480 IonicContact NZ-OD1 2.71Å; K460-D480 IonicContact NZ-OD2 2.7Å; K460-D480 PolarHBondContact NZ-OD2 3.38Å; D480-G482 VanDerWaalsContact C-N 3.32Å; D480-G482 PolarHBondContact O-N 3.29Å; D480-N515 PolarHBondContact OD1-ND2 3.03Å
481	D	87.1	Confident	92.1	Very high	142 Å²	142	65.4 Å²	65.4	76%	0.759	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.4	174.2	-49.9	-37.5	0	0	0	114.3	S479 S483	S479-D481 PolarHBondContact O-N 2.9Å; D481-S483 PolarHBondContact O-N 3.36Å
482	G	85.4	Confident	92	Very high	7 Å²	7	63.4 Å²	63.4	7%	0.072	35%	0.35	C	S	.	.	S	Bend	trans	71.2	3.7	-178.4	0	0	0	0	0	116.1	S479 D480 R517	S479-G482 WeakPolarHBondContact O-CA 3.46Å; S479-G482 PolarHBondContact O-N 3.36Å; D480-G482 VanDerWaalsContact C-N 3.32Å; D480-G482 PolarHBondContact O-N 3.29Å; G482-R517 PolarHBondContact O-NH1 3.44Å; G482-R517 VanDerWaalsContact O-NH1 3.14Å; G482-R517 PolarHBondContact O-NH2 2.97Å; G482-R517 VanDerWaalsContact O-NH2 3.16Å
483	S	87.9	Confident	92	Very high	86 Å²	86	60.9 Å²	60.9	60%	0.601	34%	0.342	S	S	*	.			trans	-89.5	-45	-173	59.2	0	0	0	0	113.4	D481	D481-S483 PolarHBondContact O-N 3.36Å
484	K	91.8	Very high	91.8	Very high	149 Å²	149	60.9 Å²	60.9	65%	0.648	34%	0.337	S	S	*	.			trans	-91.5	132.8	179.6	-67.4	-176.9	179.3	178.2	0	110.1	V478 S479	V478-K484 CarbonylContact C-O 3.57Å; V478-K484 VanDerWaalsContact CA-O 3.29Å; V478-K484 WeakPolarHBondContact CA-O 3.38Å; S479-K484 PolarHBondContact N-O 3.22Å; S479-K484 PolarHBondContact OG-N 3.15Å
485	V	93.4	Very high	91.6	Very high	70 Å²	70	55 Å²	55	42%	0.424	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.7	172.6	179.8	0	0	0	0	108.1	N476 V477 V478	N476-V485 HydrophobicContact CB-CG1 3.9Å; N476-V485 HydrophobicContact CB-CG2 4.26Å; V477-V485 CarbonylContact O-C 3.47Å; V477-V485 WeakPolarHBondContact O-CA 3.45Å; V478-V485 HydrophobicContact CG1-CG2 4.34Å
486	F	91.9	Very high	91.2	Very high	148 Å²	148	55.8 Å²	55.8	65%	0.649	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	-39.6	177.8	-65.7	-66.4	0	0	0	112.3	V477	V477-F486 HydrophobicContact CB-CB 4.48Å; V477-F486 HydrophobicContact CG1-CB 4.42Å; V477-F486 HydrophobicContact CG1-CD2 4.47Å; V477-F486 PolarHBondContact O-N 3.23Å
487	A	93	Very high	90.7	Very high	45 Å²	45	55.9 Å²	55.9	37%	0.372	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	156.3	-179.2	0	0	0	0	0	110.9	V477	V477-A487 HydrophobicContact CB-CB 4.36Å; V477-A487 HydrophobicContact CG2-CB 4.18Å; V477-A487 PolarHBondContact N-O 2.89Å
488	T	94.7	Very high	90.2	Very high	80 Å²	80	55.5 Å²	55.5	49%	0.491	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.3	172.4	-59	0	0	0	0	109.3	K474 L475 N476	K474-T488 HydrophobicContact CB-CG2 4.29Å; L475-T488 CarbonylContact O-C 3.59Å; L475-T488 VanDerWaalsContact O-CA 3.25Å; L475-T488 WeakPolarHBondContact O-CA 3.15Å; N476-T488 WeakPolarHBondContact OD1-CG2 3.05Å; N476-T488 PolarHBondContact OD1-OG1 3.47Å
489	L	93.5	Very high	89.7	Confident	34 Å²	34	55.6 Å²	55.6	18%	0.178	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.9	176.3	-52.1	176.4	0	0	0	109.2	V470 L475 V477 A493 F495 I516	V470-L489 HydrophobicContact CG2-CB 4.44Å; L475-L489 HydrophobicContact CB-CB 4.2Å; L475-L489 PolarHBondContact N-O 3.45Å; L475-L489 PolarHBondContact O-N 3.15Å; V477-L489 HydrophobicContact CG2-CD1 4.28Å; V477-L489 HydrophobicContact CG2-CG 4.21Å; L489-A493 HydrophobicContact CB-CB 3.88Å; L489-A493 HydrophobicContact CD2-CB 4.23Å; L489-F495 HydrophobicContact CD1-CB 4.05Å; L489-F495 HydrophobicContact CD1-CD1 3.82Å; L489-F495 HydrophobicContact CD1-CG 4.1Å; L489-I516 HydrophobicContact CD1-CD1 4.33Å
490	S	91.4	Very high	89.4	Confident	71 Å²	71	54.9 Å²	54.9	50%	0.497	31%	0.312	S	S	.	.			trans	-102.4	178.7	174.9	58	0	0	0	0	111.5	V470 G492 A493	V470-S490 WeakPolarHBondContact CB-O 3.44Å; S490-G492 PolarHBondContact O-N 3.45Å; S490-A493 WeakPolarHBondContact O-CB 3.4Å; S490-A493 PolarHBondContact O-N 3.44Å; S490-A493 VanDerWaalsContact O-N 3.11Å
491	E	89.6	Confident	89.1	Confident	83 Å²	83	50.3 Å²	50.3	39%	0.388	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	136	174	178.4	-176	173.3	0	0	112.4	K427 V470 K471 A493	K427-E491 HydrophobicContact CD-CG 4.47Å; K427-E491 IonicContact NZ-OE1 3.61Å; K427-E491 PolarHBondContact NZ-OE1 2.86Å; K427-E491 IonicContact NZ-OE2 3.38Å; K427-E491 PolarHBondContact NZ-OE2 3.18Å; V470-E491 WeakPolarHBondContact O-CA 3.4Å; K471-E491 WeakPolarHBondContact O-CG 3.47Å; E491-A493 VanDerWaalsContact C-N 3.31Å
492	G	86.3	Confident	88.8	Confident	11 Å²	11	48 Å²	48	11%	0.113	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-11.7	-178	0	0	0	0	0	114.4	V470 S490	V470-G492 PolarHBondContact O-N 3.48Å; S490-G492 PolarHBondContact O-N 3.45Å
493	A	90.2	Very high	88.7	Confident	24 Å²	24	48.3 Å²	48.3	20%	0.198	28%	0.275	C	S	.	.			trans	-69	142.9	173	0	0	0	0	0	111.2	V470 L489 S490 E491	V470-A493 HydrophobicContact CG2-CB 4.22Å; V470-A493 PolarHBondContact N-O 3.06Å; L489-A493 HydrophobicContact CB-CB 3.88Å; L489-A493 HydrophobicContact CD2-CB 4.23Å; S490-A493 WeakPolarHBondContact O-CB 3.4Å; S490-A493 PolarHBondContact O-N 3.44Å; S490-A493 VanDerWaalsContact O-N 3.11Å; E491-A493 VanDerWaalsContact C-N 3.31Å
494	V	89.8	Confident	88.2	Confident	27 Å²	27	45.4 Å²	45.4	16%	0.164	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.1	174.1	178.8	0	0	0	0	108.5	V428 I430 M467 Y468 I469 E497	V428-V494 HydrophobicContact CB-CG2 4.18Å; V428-V494 HydrophobicContact CG1-CG2 3.31Å; V428-V494 HydrophobicContact CG2-CG2 3.85Å; I430-V494 HydrophobicContact CD1-CB 4.28Å; I430-V494 HydrophobicContact CD1-CG1 4.14Å; M467-V494 HydrophobicContact CE-CG1 3.33Å; Y468-V494 WeakPolarHBondContact O-CA 3.47Å; I469-V494 HydrophobicContact CG1-CG2 4.16Å; I469-V494 HydrophobicContact CG2-CG2 4.37Å; V494-E497 HydrophobicContact CG1-CB 4.49Å
495	F	91.1	Very high	87.6	Confident	10 Å²	10	38.9 Å²	38.9	4%	0.044	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	157.7	173.2	65.4	-87.8	0	0	0	111.8	I457 Y468 V470 L475 L489 E497 I516 L524	I457-F495 HydrophobicContact CD1-CZ 4.3Å; I457-F495 HydrophobicContact CG2-CE2 3.83Å; I457-F495 HydrophobicContact CG2-CZ 3.91Å; Y468-F495 HydrophobicContact CD2-CD2 4.03Å; Y468-F495 AromaticContact CD2-CE2 3.39Å; Y468-F495 HydrophobicContact CD2-CE2 3.39Å; Y468-F495 AromaticContact CD2-CZ 3.85Å; Y468-F495 HydrophobicContact CD2-CZ 3.85Å; Y468-F495 HydrophobicContact CE2-CE2 4.36Å; Y468-F495 HydrophobicContact CG-CE1 4.45Å; Y468-F495 AromaticContact CG-CE2 3.84Å; Y468-F495 HydrophobicContact CG-CE2 3.84Å; Y468-F495 AromaticContact CG-CZ 3.8Å; Y468-F495 HydrophobicContact CG-CZ 3.8Å; Y468-F495 PolarHBondContact N-O 2.7Å; Y468-F495 PolarHBondContact O-N 3.47Å; V470-F495 HydrophobicContact CG2-CD1 4.22Å; V470-F495 HydrophobicContact CG2-CE1 3.89Å; L475-F495 HydrophobicContact CD1-CD1 4.19Å; L475-F495 HydrophobicContact CD1-CE1 3.27Å; L475-F495 HydrophobicContact CD1-CZ 3.57Å; L489-F495 HydrophobicContact CD1-CB 4.05Å; L489-F495 HydrophobicContact CD1-CD1 3.82Å; L489-F495 HydrophobicContact CD1-CG 4.1Å; F495-E497 VanDerWaalsContact C-N 3.31Å; F495-E497 WeakPolarHBondContact CA-OE2 3.41Å; F495-I516 HydrophobicContact CB-CD1 3.9Å; F495-I516 HydrophobicContact CD2-CD1 3.22Å; F495-I516 HydrophobicContact CE2-CD1 3.72Å; F495-I516 HydrophobicContact CE2-CG2 4.27Å; F495-I516 HydrophobicContact CG-CD1 3.65Å; F495-I516 HydrophobicContact CZ-CG2 4.32Å; F495-L524 HydrophobicContact CE1-CD1 4.23Å; F495-L524 HydrophobicContact CE1-CD2 4.5Å; F495-L524 HydrophobicContact CZ-CD1 3.74Å
496	G	89.5	Confident	87.1	Confident	17 Å²	17	36.4 Å²	36.4	18%	0.175	22%	0.216	C	C	.	.	S	Bend	trans	83	7.5	179.4	0	0	0	0	0	114.5	S499 R512	G496-S499 PolarHBondContact O-OG 3.12Å; G496-R512 PolarHBondContact O-NH1 3.01Å; G496-R512 VanDerWaalsContact O-NH1 3.09Å
497	E	85.4	Confident	86.7	Confident	30 Å²	30	35.5 Å²	35.5	14%	0.14	21%	0.211	C	C	.	.			trans	-63.1	-38.1	176.6	70.7	-77	-170.3	0	0	112.2	V494 F495 S499 I500 L501	V494-E497 HydrophobicContact CG1-CB 4.49Å; F495-E497 VanDerWaalsContact C-N 3.31Å; F495-E497 WeakPolarHBondContact CA-OE2 3.41Å; E497-S499 VanDerWaalsContact C-N 3.34Å; E497-S499 PolarHBondContact O-N 2.93Å; E497-I500 WeakPolarHBondContact O-CG1 3.49Å; E497-I500 PolarHBondContact O-N 3.03Å; E497-L501 HydrophobicContact CB-CD1 4.41Å; E497-L501 WeakPolarHBondContact O-CD1 3.39Å; E497-L501 VanDerWaalsContact O-CG 3.24Å; E497-L501 WeakPolarHBondContact O-CG 3.11Å; E497-L501 PolarHBondContact O-N 3.47Å
498	L	85.4	Confident	86.2	Confident	14 Å²	14	36 Å²	36	7%	0.073	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-37.6	-175.7	-61.4	178.5	0	0	0	113.3	I500 I553 L554	L498-I500 VanDerWaalsContact C-N 3.26Å; L498-I500 PolarHBondContact O-N 3.2Å; L498-I553 HydrophobicContact CD1-CG2 3.86Å; L498-I553 HydrophobicContact CD2-CB 4.26Å; L498-I553 HydrophobicContact CD2-CG2 4.3Å; L498-L554 HydrophobicContact CD1-CD2 4.14Å; L498-L554 HydrophobicContact CD2-CG 4.19Å
499	S	83.2	Confident	85.7	Confident	5 Å²	5	34.1 Å²	34.1	4%	0.035	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.4	-176.6	49.3	0	0	0	0	114.1	G496 E497 R512	G496-S499 PolarHBondContact O-OG 3.12Å; E497-S499 VanDerWaalsContact C-N 3.34Å; E497-S499 PolarHBondContact O-N 2.93Å; S499-R512 PolarHBondContact OG-NH1 3.45Å
500	I	86.6	Confident	85.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-16.7	-177.3	63.4	172	0	0	0	113.4	M467 E497 L498 N502 K529 L532 W533	M467-I500 HydrophobicContact CB-CD1 3.57Å; M467-I500 HydrophobicContact CG-CD1 3.56Å; M467-I500 HydrophobicContact SD-CD1 3.78Å; E497-I500 WeakPolarHBondContact O-CG1 3.49Å; E497-I500 PolarHBondContact O-N 3.03Å; L498-I500 VanDerWaalsContact C-N 3.26Å; L498-I500 PolarHBondContact O-N 3.2Å; I500-N502 VanDerWaalsContact C-N 3.33Å; I500-N502 PolarHBondContact O-N 3.23Å; I500-K529 HydrophobicContact CB-CB 4.19Å; I500-K529 HydrophobicContact CB-CD 4.5Å; I500-K529 HydrophobicContact CB-CG 4.13Å; I500-K529 HydrophobicContact CG2-CB 4.03Å; I500-K529 HydrophobicContact CG2-CG 4.41Å; I500-L532 HydrophobicContact CD1-CD2 3.34Å; I500-L532 HydrophobicContact CG1-CD2 4.05Å; I500-W533 PolarHBondContact O-NE1 2.69Å
501	L	82.9	Confident	85.4	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	-80.1	1.4	-173.9	-72.7	170	0	0	0	115.6	E497 I503 L546	E497-L501 HydrophobicContact CB-CD1 4.41Å; E497-L501 WeakPolarHBondContact O-CD1 3.39Å; E497-L501 VanDerWaalsContact O-CG 3.24Å; E497-L501 WeakPolarHBondContact O-CG 3.11Å; E497-L501 PolarHBondContact O-N 3.47Å; L501-I503 HydrophobicContact CB-CD1 4.11Å; L501-I503 HydrophobicContact CB-CG1 3.92Å; L501-I503 PolarHBondContact O-N 3.23Å; L501-I503 VanDerWaalsContact O-N 3.08Å; L501-L546 HydrophobicContact CD2-CB 4.09Å
502	N	81.1	Confident	85.5	Confident	93 Å²	93	35 Å²	35	50%	0.497	20%	0.196	S	C	.	.			trans	43.7	42.3	176.5	-69.5	-19.9	0	0	0	114.2	I500 A504 K529 W533	I500-N502 VanDerWaalsContact C-N 3.33Å; I500-N502 PolarHBondContact O-N 3.23Å; N502-A504 PolarHBondContact O-N 3.47Å; N502-K529 WeakPolarHBondContact OD1-CE 3.42Å; N502-K529 PolarHBondContact OD1-NZ 2.84Å; N502-W533 HydrophobicContact CB-CZ2 4Å
503	I	83.3	Confident	85.5	Confident	14 Å²	14	37.1 Å²	37.1	7%	0.072	21%	0.207	C	C	.	.			trans	-72.5	124.8	-178.9	-56.1	172.8	0	0	0	108.6	L501 N506 K551 L554 L560	L501-I503 HydrophobicContact CB-CD1 4.11Å; L501-I503 HydrophobicContact CB-CG1 3.92Å; L501-I503 PolarHBondContact O-N 3.23Å; L501-I503 VanDerWaalsContact O-N 3.08Å; I503-N506 WeakPolarHBondContact O-CB 3.37Å; I503-N506 PolarHBondContact O-N 2.83Å; I503-K551 HydrophobicContact CG2-CG 3.76Å; I503-L554 HydrophobicContact CB-CD1 4.15Å; I503-L554 HydrophobicContact CD1-CD1 3.75Å; I503-L554 HydrophobicContact CG2-CD1 4.08Å; I503-L560 HydrophobicContact CG2-CD1 4.17Å
504	A	77.7	Confident	85.6	Confident	24 Å²	24	37.4 Å²	37.4	20%	0.198	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	151.2	175.1	0	0	0	0	0	111.2	N502 N506 V564 E568	N502-A504 PolarHBondContact O-N 3.47Å; A504-N506 PolarHBondContact O-N 2.78Å; A504-V564 HydrophobicContact CB-CG1 4.31Å; A504-E568 HydrophobicContact CB-CB 4.24Å; A504-E568 HydrophobicContact CB-CG 4.28Å; A504-E568 WeakPolarHBondContact CB-OE1 3.23Å; A504-E568 WeakPolarHBondContact CB-OE2 3.49Å
505	G	78.5	Confident	85.8	Confident	12 Å²	12	36.7 Å²	36.7	12%	0.124	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	0.6	-172.8	0	0	0	0	0	114.6	K507 D561	G505-K507 PolarHBondContact O-N 3.41Å; G505-D561 WeakPolarHBondContact O-CB 3.39Å; G505-D561 PolarHBondContact O-N 3.49Å
506	N	84.1	Confident	86	Confident	19 Å²	19	36.8 Å²	36.8	10%	0.102	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-66.5	110.1	172.2	179.9	0.3	0	0	0	110.3	I503 A504 N508 G509 L554	I503-N506 WeakPolarHBondContact O-CB 3.37Å; I503-N506 PolarHBondContact O-N 2.83Å; A504-N506 PolarHBondContact O-N 2.78Å; N506-N508 PolarHBondContact O-N 3.11Å; N506-N508 VanDerWaalsContact O-N 3.1Å; N506-N508 PolarHBondContact OD1-N 3.34Å; N506-G509 PolarHBondContact ND2-O 2.99Å; N506-G509 PolarHBondContact O-N 2.84Å; N506-L554 HydrophobicContact CB-CD1 3.99Å
507	K	83.1	Confident	86.3	Confident	128 Å²	128	39.1 Å²	39.1	56%	0.557	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.9	-178.9	-66.9	178.2	-173.1	166.1	0	113.3	G505 N558 L559	G505-K507 PolarHBondContact O-N 3.41Å; K507-N558 PolarHBondContact NZ-O 2.97Å; K507-L559 WeakPolarHBondContact CB-O 3.39Å; K507-L559 WeakPolarHBondContact CG-O 3.5Å; K507-L559 PolarHBondContact N-O 2.88Å
508	N	82.1	Confident	86.8	Confident	56 Å²	56	37.7 Å²	37.7	30%	0.299	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-4	179.2	-68.8	-22	0	0	0	113.2	N506 N510 R511 L559	N506-N508 PolarHBondContact O-N 3.11Å; N506-N508 VanDerWaalsContact O-N 3.1Å; N506-N508 PolarHBondContact OD1-N 3.34Å; N508-N510 PolarHBondContact O-N 3.38Å; N508-R511 WeakPolarHBondContact O-CB 3.45Å; N508-R511 VanDerWaalsContact O-CG 3.28Å; N508-R511 WeakPolarHBondContact O-CG 3.47Å; N508-R511 PolarHBondContact O-N 2.98Å; N508-L559 WeakPolarHBondContact ND2-CD1 3.33Å; N508-L559 WeakPolarHBondContact ND2-CD2 3.45Å
509	G	84.3	Confident	87.3	Confident	40 Å²	40	40.7 Å²	40.7	41%	0.412	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-125.9	-178.1	0	0	0	0	0	112.7	N506 R511	N506-G509 PolarHBondContact ND2-O 2.99Å; N506-G509 PolarHBondContact O-N 2.84Å; G509-R511 VanDerWaalsContact C-N 3.32Å; G509-R511 PolarHBondContact O-N 3.28Å
510	N	87.7	Confident	87.8	Confident	69 Å²	69	41.8 Å²	41.8	37%	0.369	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	16.6	178.5	67.1	-10	0	0	0	113.8	G464 N508	G464-N510 PolarHBondContact N-O 3.14Å; N508-N510 PolarHBondContact O-N 3.38Å
511	R	90.8	Very high	88.1	Confident	122 Å²	122	44.9 Å²	44.9	46%	0.46	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-90.3	148.8	-177.7	-55.6	-78.2	172.8	179.4	0.5	111.2	G461 D462 N508 G509	G461-R511 WeakPolarHBondContact O-CD 3.37Å; G461-R511 PolarHBondContact O-NH1 3.21Å; D462-R511 CarbonylContact O-C 3.51Å; D462-R511 VanDerWaalsContact O-CA 3.29Å; D462-R511 WeakPolarHBondContact O-CA 3.37Å; N508-R511 WeakPolarHBondContact O-CB 3.45Å; N508-R511 VanDerWaalsContact O-CG 3.28Å; N508-R511 WeakPolarHBondContact O-CG 3.47Å; N508-R511 PolarHBondContact O-N 2.98Å; G509-R511 VanDerWaalsContact C-N 3.32Å; G509-R511 PolarHBondContact O-N 3.28Å
512	R	91.4	Very high	88.6	Confident	17 Å²	17	44.7 Å²	44.7	6%	0.064	24%	0.244	C	C	.	.			trans	-70.9	138.9	174.2	-62.3	-64.1	-165.3	-172.2	6.9	110.7	C458 K459 G461 D462 G464 E466 G496 S499	C458-R512 HydrophobicContact CB-CG 4.04Å; K459-R512 VanDerWaalsContact O-CB 3.3Å; K459-R512 WeakPolarHBondContact O-CB 3.42Å; G461-R512 PolarHBondContact N-O 3.48Å; D462-R512 HydrophobicContact CB-CG 4.08Å; D462-R512 WeakPolarHBondContact O-CG 3.16Å; D462-R512 PolarHBondContact O-N 3.42Å; G464-R512 VanDerWaalsContact CA-CZ 3.48Å; E466-R512 PolarHBondContact O-NH1 3.29Å; E466-R512 PolarHBondContact O-NH2 3.27Å; G496-R512 PolarHBondContact O-NH1 3.01Å; G496-R512 VanDerWaalsContact O-NH1 3.09Å; S499-R512 PolarHBondContact OG-NH1 3.45Å
513	T	87.9	Confident	89.1	Confident	55 Å²	55	40.4 Å²	40.4	34%	0.337	22%	0.221	S	C	.	.			trans	-89.8	-21.6	-174.9	56	0	0	0	0	114.1	L559	T513-L559 HydrophobicContact CG2-CD1 4.16Å
514	A	90.9	Very high	89.5	Confident	29 Å²	29	39.7 Å²	39.7	24%	0.24	22%	0.217	C	C	.	.	S	Bend	trans	-144.5	159.5	-174.9	0	0	0	0	0	112.4	V477	V477-A514 HydrophobicContact CG1-CB 3.83Å
515	N	94.6	Very high	90.2	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.07	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.7	170.6	-52.1	-71.2	0	0	0	109.7	Y456 C458 K459 K460 V477 V478 D480	Y456-N515 HydrophobicContact CD1-CB 4.24Å; Y456-N515 HydrophobicContact CE1-CB 4.05Å; C458-N515 WeakPolarHBondContact O-CA 3.21Å; K459-N515 VanDerWaalsContact CA-OD1 3.28Å; K459-N515 WeakPolarHBondContact CA-OD1 3.46Å; K460-N515 PolarHBondContact N-OD1 3.37Å; V477-N515 CarbonylContact C-O 3.58Å; V477-N515 WeakPolarHBondContact CA-O 3.39Å; V478-N515 HydrophobicContact CG2-CB 3.73Å; V478-N515 PolarHBondContact N-O 3.45Å; V478-N515 PolarHBondContact O-ND2 3.15Å; D480-N515 PolarHBondContact OD1-ND2 3.03Å
516	I	95.9	Very high	90.8	Very high	11 Å²	11	38.2 Å²	38.2	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.7	179	-58.9	178.2	0	0	0	108.8	Y456 I457 C458 L475 V477 L489 F495	Y456-I516 CarbonylContact C-O 3.44Å; Y456-I516 WeakPolarHBondContact CA-O 3.48Å; I457-I516 HydrophobicContact CD1-CG2 4.06Å; I457-I516 PolarHBondContact N-O 2.9Å; C458-I516 PolarHBondContact O-N 3.49Å; L475-I516 HydrophobicContact CB-CG2 3.89Å; L475-I516 HydrophobicContact CD1-CG2 4.01Å; V477-I516 HydrophobicContact CG2-CG1 4.43Å; L489-I516 HydrophobicContact CD1-CD1 4.33Å; F495-I516 HydrophobicContact CB-CD1 3.9Å; F495-I516 HydrophobicContact CD2-CD1 3.22Å; F495-I516 HydrophobicContact CE2-CD1 3.72Å; F495-I516 HydrophobicContact CE2-CG2 4.27Å; F495-I516 HydrophobicContact CG-CD1 3.65Å; F495-I516 HydrophobicContact CZ-CG2 4.32Å
517	R	95.7	Very high	91.2	Very high	66 Å²	66	37.4 Å²	37.4	25%	0.249	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.4	-177.5	-174.5	175.2	66.5	-157.7	-2.2	110.8	G454 D455 Y456 L475 N476 V478 G482	G454-R517 WeakPolarHBondContact O-CG 3.37Å; D455-R517 CarbonylContact O-C 3.56Å; D455-R517 WeakPolarHBondContact O-CA 3.29Å; Y456-R517 HydrophobicContact CD1-CB 4.34Å; Y456-R517 HydrophobicContact CD2-CG 4.4Å; Y456-R517 HydrophobicContact CE1-CB 4.31Å; Y456-R517 HydrophobicContact CE2-CG 4.32Å; Y456-R517 PolarHBondContact OH-NH1 3.3Å; L475-R517 WeakPolarHBondContact CA-O 3.49Å; N476-R517 PolarHBondContact N-O 3.13Å; N476-R517 PolarHBondContact O-N 2.77Å; V478-R517 HydrophobicContact CG1-CB 4.45Å; V478-R517 HydrophobicContact CG2-CB 4.33Å; G482-R517 PolarHBondContact O-NH1 3.44Å; G482-R517 VanDerWaalsContact O-NH1 3.14Å; G482-R517 PolarHBondContact O-NH2 2.97Å; G482-R517 VanDerWaalsContact O-NH2 3.16Å
518	S	96.2	Very high	91.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.1	174.7	-165.7	0	0	0	0	111.3	S452 G454 D455 G520 S522	S452-S518 WeakPolarHBondContact O-CB 3.3Å; G454-S518 WeakPolarHBondContact CA-O 3.26Å; G454-S518 PolarHBondContact N-O 2.99Å; D455-S518 PolarHBondContact O-N 2.66Å; S518-G520 PolarHBondContact OG-O 3.16Å; S518-S522 WeakPolarHBondContact OG-CB 3.05Å; S518-S522 PolarHBondContact OG-OG 3.33Å
519	V	94.8	Very high	92.1	Very high	77 Å²	77	32.2 Å²	32.2	47%	0.467	18%	0.177	S	C	.	.	S	Bend	trans	-78.7	-42.2	177.1	-179.9	0	0	0	0	110.9	K474 N476	K474-V519 HydrophobicContact CB-CB 4.31Å; K474-V519 HydrophobicContact CB-CG2 4.35Å; K474-V519 WeakPolarHBondContact O-CB 3.47Å; K474-V519 WeakPolarHBondContact O-CG2 3.12Å; K474-V519 PolarHBondContact O-N 3.16Å; N476-V519 HydrophobicContact CB-CG2 4.19Å; N476-V519 VanDerWaalsContact CG-CG2 3.43Å; N476-V519 VanDerWaalsContact ND2-CG2 3.34Å; N476-V519 WeakPolarHBondContact ND2-CG2 3.48Å
520	G	93.8	Very high	92.5	Very high	27 Å²	27	36.4 Å²	36.4	28%	0.278	19%	0.19	S	C	.	.	S	Bend	trans	-127	-157.2	177.2	0	0	0	0	0	111	S452 P453 S518 S522	S452-G520 CarbonylContact C-O 3.51Å; P453-G520 WeakPolarHBondContact CA-O 3.4Å; S518-G520 PolarHBondContact OG-O 3.16Å; G520-S522 PolarHBondContact O-N 3.22Å
521	Y	93.5	Very high	92.7	Very high	65 Å²	65	35.8 Å²	35.8	26%	0.255	19%	0.186	S	C	.	.			trans	-70.3	126.8	163.6	-71.8	-84.2	0	0	0	109.5	T387 Y391 F451 P453	T387-Y521 WeakPolarHBondContact CG2-OH 3.05Å; Y391-Y521 AromaticContact CD1-CD1 3.46Å; Y391-Y521 HydrophobicContact CD1-CD1 3.46Å; Y391-Y521 VanDerWaalsContact CD1-CD1 3.46Å; Y391-Y521 AromaticContact CD1-CE1 3.79Å; Y391-Y521 HydrophobicContact CD1-CE1 3.79Å; Y391-Y521 HydrophobicContact CD1-CG 4.01Å; Y391-Y521 AromaticContact CD2-CD1 3.92Å; Y391-Y521 HydrophobicContact CD2-CD1 3.92Å; Y391-Y521 AromaticContact CD2-CD2 3.81Å; Y391-Y521 HydrophobicContact CD2-CD2 3.81Å; Y391-Y521 HydrophobicContact CD2-CE1 4.03Å; Y391-Y521 AromaticContact CD2-CE2 3.94Å; Y391-Y521 HydrophobicContact CD2-CE2 3.94Å; Y391-Y521 AromaticContact CD2-CG 3.8Å; Y391-Y521 HydrophobicContact CD2-CG 3.8Å; Y391-Y521 AromaticContact CE1-CD1 3.55Å; Y391-Y521 HydrophobicContact CE1-CD1 3.55Å; Y391-Y521 HydrophobicContact CE1-CE1 4.33Å; Y391-Y521 AromaticContact CE1-CG 3.74Å; Y391-Y521 HydrophobicContact CE1-CG 3.74Å; Y391-Y521 AromaticContact CE2-CD1 4Å; Y391-Y521 HydrophobicContact CE2-CD1 4Å; Y391-Y521 AromaticContact CE2-CD2 3.68Å; Y391-Y521 HydrophobicContact CE2-CD2 3.68Å; Y391-Y521 HydrophobicContact CE2-CE2 4.29Å; Y391-Y521 AromaticContact CE2-CG 3.51Å; Y391-Y521 HydrophobicContact CE2-CG 3.51Å; Y391-Y521 AromaticContact CG-CD1 3.63Å; Y391-Y521 HydrophobicContact CG-CD1 3.63Å; Y391-Y521 HydrophobicContact CG-CD2 4.35Å; Y391-Y521 AromaticContact CG-CE1 3.59Å; Y391-Y521 HydrophobicContact CG-CE1 3.59Å; Y391-Y521 HydrophobicContact CG-CE2 4.33Å; Y391-Y521 HydrophobicContact CG-CG 4.02Å; Y391-Y521 AromaticContact CG-CZ 3.96Å; Y391-Y521 AromaticContact CZ-CD1 3.79Å; Y391-Y521 AromaticContact CZ-CG 3.46Å; Y391-Y521 VanDerWaalsContact CZ-CG 3.46Å; Y391-Y521 WeakPolarHBondContact OH-CB 3.33Å; F451-Y521 VanDerWaalsContact O-CA 3.31Å; F451-Y521 WeakPolarHBondContact O-CA 3.5Å; P453-Y521 HydrophobicContact CG-CD2 3.89Å; P453-Y521 HydrophobicContact CG-CE2 3.89Å; P453-Y521 HydrophobicContact CG-CG 4.37Å
522	S	93.1	Very high	92.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.5	-178.2	-60.7	0	0	0	0	110.6	V450 F451 E472 L475 S518 G520	V450-S522 WeakPolarHBondContact CA-O 3.28Å; F451-S522 PolarHBondContact N-O 3.11Å; F451-S522 PolarHBondContact O-N 2.86Å; E472-S522 CarbonylContact O-C 3.55Å; E472-S522 WeakPolarHBondContact O-CA 3.48Å; L475-S522 WeakPolarHBondContact CD2-OG 3.4Å; S518-S522 WeakPolarHBondContact OG-CB 3.05Å; S518-S522 PolarHBondContact OG-OG 3.33Å; G520-S522 PolarHBondContact O-N 3.22Å
523	N	91.6	Very high	92.7	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.4	175.4	-60.9	-29.3	0	0	0	107.7	R395 L448 V450 K471 E472	R395-N523 PolarHBondContact NH1-ND2 3.4Å; R395-N523 PolarHBondContact NH2-ND2 3.28Å; L448-N523 HydrophobicContact CD1-CB 4.19Å; V450-N523 WeakPolarHBondContact CG2-OD1 3.35Å; K471-N523 HydrophobicContact CB-CB 4.48Å; K471-N523 VanDerWaalsContact CB-O 3.31Å; K471-N523 WeakPolarHBondContact CB-O 3.45Å; K471-N523 PolarHBondContact N-O 3.38Å; E472-N523 HydrophobicContact CB-CB 4.11Å; E472-N523 PolarHBondContact N-O 3.3Å; E472-N523 VanDerWaalsContact N-O 3.13Å; E472-N523 PolarHBondContact O-N 3.49Å; E472-N523 PolarHBondContact OE2-ND2 3.3Å
524	L	92.6	Very high	92.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143	-178.8	-52.4	-174.9	0	0	0	109.5	Q449 F451 I457 Y468 I469 V470 L475 F495	Q449-L524 PolarHBondContact N-O 2.91Å; Q449-L524 PolarHBondContact O-N 3.25Å; F451-L524 HydrophobicContact CD2-CD1 3.63Å; F451-L524 HydrophobicContact CD2-CG 3.99Å; F451-L524 HydrophobicContact CE2-CB 4.41Å; F451-L524 HydrophobicContact CE2-CD1 3.63Å; F451-L524 HydrophobicContact CE2-CG 4.2Å; I457-L524 HydrophobicContact CD1-CD1 3.71Å; I457-L524 HydrophobicContact CG1-CD1 4.01Å; I457-L524 HydrophobicContact CG2-CD1 3.98Å; Y468-L524 HydrophobicContact CD1-CB 4.21Å; Y468-L524 HydrophobicContact CD1-CD1 4.23Å; Y468-L524 HydrophobicContact CG-CD1 4.33Å; I469-L524 WeakPolarHBondContact O-CA 3.43Å; V470-L524 HydrophobicContact CB-CD2 4.21Å; V470-L524 HydrophobicContact CG1-CD2 4.2Å; V470-L524 HydrophobicContact CG2-CD2 4Å; L475-L524 HydrophobicContact CD1-CD1 4.27Å; L475-L524 HydrophobicContact CD1-CD2 3.92Å; F495-L524 HydrophobicContact CE1-CD1 4.23Å; F495-L524 HydrophobicContact CE1-CD2 4.5Å; F495-L524 HydrophobicContact CZ-CD1 3.74Å
525	F	90.6	Very high	92.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.4	161.9	-65.6	-66.2	0	0	0	109.1	H421 T424 L446 Q447 L448 Y468 I469 K471	H421-F525 AromaticContact CE1-CE1 3.55Å; H421-F525 AromaticContact CE1-CZ 3.32Å; H421-F525 WeakPolarHBondContact CE1-CZ 3.33Å; H421-F525 AromaticContact CG-CZ 3.84Å; H421-F525 AromaticContact ND1-CE1 3.84Å; H421-F525 AromaticContact ND1-CE2 3.98Å; H421-F525 AromaticContact ND1-CZ 3.18Å; H421-F525 WeakPolarHBondContact ND1-CZ 3.38Å; H421-F525 AromaticContact NE2-CE1 3.9Å; T424-F525 HydrophobicContact CG2-CE2 4.36Å; L446-F525 HydrophobicContact CB-CB 4.15Å; L446-F525 HydrophobicContact CB-CD1 4.03Å; L446-F525 HydrophobicContact CB-CG 4.29Å; L446-F525 HydrophobicContact CD1-CB 4.22Å; L446-F525 HydrophobicContact CD1-CD2 4.49Å; L446-F525 HydrophobicContact CD1-CG 4.19Å; L446-F525 HydrophobicContact CD2-CB 3.83Å; L446-F525 HydrophobicContact CG-CB 4.26Å; Q447-F525 CarbonylContact O-C 3.6Å; Q447-F525 WeakPolarHBondContact O-CA 3.48Å; L448-F525 HydrophobicContact CB-CD1 4.44Å; L448-F525 HydrophobicContact CB-CE1 4.33Å; L448-F525 HydrophobicContact CD1-CD1 4.15Å; L448-F525 HydrophobicContact CD1-CE1 3.87Å; L448-F525 HydrophobicContact CD1-CZ 4.39Å; Y468-F525 CarbonylContact C-O 3.47Å; Y468-F525 VanDerWaalsContact CA-O 3.25Å; Y468-F525 WeakPolarHBondContact CA-O 3.26Å; I469-F525 HydrophobicContact CB-CB 4.28Å; I469-F525 PolarHBondContact N-O 3.07Å; I469-F525 PolarHBondContact O-N 2.91Å; K471-F525 HydrophobicContact CB-CD2 3.97Å; K471-F525 HydrophobicContact CB-CE2 3.68Å; K471-F525 HydrophobicContact CB-CZ 4.38Å; K471-F525 HydrophobicContact CD-CE1 4.42Å; K471-F525 HydrophobicContact CD-CE2 3.61Å; K471-F525 HydrophobicContact CD-CZ 3.5Å; K471-F525 HydrophobicContact CG-CD2 4.39Å; K471-F525 HydrophobicContact CG-CE2 3.6Å; K471-F525 HydrophobicContact CG-CZ 4.05Å
526	A	92.4	Very high	92.5	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.017	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133	171.4	0	0	0	0	0	109.3	Q447 Q449 M467 Y468	Q447-A526 PolarHBondContact N-O 3.36Å; Q447-A526 PolarHBondContact O-N 2.97Å; Q449-A526 HydrophobicContact CG-CB 4Å; Q449-A526 VanDerWaalsContact NE2-CB 3.28Å; M467-A526 WeakPolarHBondContact O-CA 3.37Å; Y468-A526 HydrophobicContact CD1-CB 3.83Å; Y468-A526 HydrophobicContact CE1-CB 3.58Å
527	L	91.4	Very high	92.2	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.1	168.9	-176.6	65.6	0	0	0	108.4	L442 A445 L446 E466 M467 D531 L532	L442-L527 HydrophobicContact CD2-CD2 3.68Å; A445-L527 HydrophobicContact CB-CD1 3.62Å; L446-L527 HydrophobicContact CD2-CB 3.95Å; L446-L527 HydrophobicContact CD2-CD1 4.43Å; E466-L527 CarbonylContact C-O 3.58Å; E466-L527 WeakPolarHBondContact CA-O 3.43Å; M467-L527 HydrophobicContact CG-CB 3.77Å; M467-L527 HydrophobicContact CG-CD2 4.37Å; M467-L527 PolarHBondContact N-O 3.46Å; M467-L527 PolarHBondContact O-N 3.09Å; M467-L527 HydrophobicContact SD-CB 4.42Å; M467-L527 HydrophobicContact SD-CD2 3.97Å; L527-D531 HydrophobicContact CD1-CB 4.03Å; L527-L532 HydrophobicContact CD2-CB 3.86Å; L527-L532 HydrophobicContact CD2-CD1 3.68Å; L527-L532 HydrophobicContact CD2-CG 4.27Å; L527-L532 HydrophobicContact CG-CB 4.15Å
528	S	93.4	Very high	91.9	Very high	26 Å²	26	44.7 Å²	44.7	18%	0.182	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	152.9	-179.7	84.1	0	0	0	0	111.3	D530 D531 L532	S528-D530 VanDerWaalsContact C-N 3.3Å; S528-D530 PolarHBondContact O-N 3.29Å; S528-D531 PolarHBondContact O-N 3.46Å; S528-D531 VanDerWaalsContact OG-CB 3.31Å; S528-D531 WeakPolarHBondContact OG-CB 3.28Å; S528-D531 PolarHBondContact OG-N 3.49Å; S528-D531 PolarHBondContact OG-OD2 3.45Å; S528-L532 WeakPolarHBondContact O-CB 3.21Å; S528-L532 PolarHBondContact O-N 2.97Å
529	K	91.8	Very high	91.5	Very high	49 Å²	49	47.1 Å²	47.1	21%	0.213	23%	0.227	C	C	.	.	H	α-helix	trans	-55.4	-48.2	174.1	-179.2	176.5	-176.4	176.8	0	110.9	K465 I500 N502 D531 L532 W533	K465-K529 WeakPolarHBondContact O-CB 3.49Å; K465-K529 PolarHBondContact O-N 2.85Å; I500-K529 HydrophobicContact CB-CB 4.19Å; I500-K529 HydrophobicContact CB-CD 4.5Å; I500-K529 HydrophobicContact CB-CG 4.13Å; I500-K529 HydrophobicContact CG2-CB 4.03Å; I500-K529 HydrophobicContact CG2-CG 4.41Å; N502-K529 WeakPolarHBondContact OD1-CE 3.42Å; N502-K529 PolarHBondContact OD1-NZ 2.84Å; K529-D531 PolarHBondContact O-N 3.47Å; K529-L532 PolarHBondContact O-N 3.45Å; K529-W533 PolarHBondContact O-N 2.77Å
530	D	92.7	Very high	91.2	Very high	129 Å²	129	46.9 Å²	46.9	69%	0.69	23%	0.227	S	C	*	.	H	α-helix	trans	-63.9	-42.8	-175.9	-61.7	-31.1	0	0	0	111.5	S528 W533 S534	S528-D530 VanDerWaalsContact C-N 3.3Å; S528-D530 PolarHBondContact O-N 3.29Å; D530-W533 PolarHBondContact O-N 3.48Å; D530-S534 WeakPolarHBondContact O-CB 3.22Å; D530-S534 PolarHBondContact O-N 3.46Å
531	D	92.1	Very high	90.8	Very high	55 Å²	55	51.2 Å²	51.2	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-46	177	-64.2	-40.4	0	0	0	111.1	A445 L527 S528 K529 W533 S534 V535	A445-D531 HydrophobicContact CB-CB 3.97Å; L527-D531 HydrophobicContact CD1-CB 4.03Å; S528-D531 PolarHBondContact O-N 3.46Å; S528-D531 VanDerWaalsContact OG-CB 3.31Å; S528-D531 WeakPolarHBondContact OG-CB 3.28Å; S528-D531 PolarHBondContact OG-N 3.49Å; S528-D531 PolarHBondContact OG-OD2 3.45Å; K529-D531 PolarHBondContact O-N 3.47Å; D531-W533 PolarHBondContact O-N 3.01Å; D531-S534 PolarHBondContact O-N 2.72Å; D531-S534 PolarHBondContact O-OG 2.68Å; D531-V535 WeakPolarHBondContact O-CG2 3.13Å; D531-V535 PolarHBondContact O-N 3.06Å
532	L	90.7	Very high	90.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-49.3	177.1	178.3	65.6	0	0	0	111.2	L442 M467 I500 L527 S528 K529 S534 V535 L536	L442-L532 HydrophobicContact CD2-CD1 4.05Å; M467-L532 HydrophobicContact SD-CD2 4.11Å; I500-L532 HydrophobicContact CD1-CD2 3.34Å; I500-L532 HydrophobicContact CG1-CD2 4.05Å; L527-L532 HydrophobicContact CD2-CB 3.86Å; L527-L532 HydrophobicContact CD2-CD1 3.68Å; L527-L532 HydrophobicContact CD2-CG 4.27Å; L527-L532 HydrophobicContact CG-CB 4.15Å; S528-L532 WeakPolarHBondContact O-CB 3.21Å; S528-L532 PolarHBondContact O-N 2.97Å; K529-L532 PolarHBondContact O-N 3.45Å; L532-S534 VanDerWaalsContact C-N 3.32Å; L532-S534 PolarHBondContact O-N 2.9Å; L532-V535 PolarHBondContact O-N 2.96Å; L532-L536 HydrophobicContact CD1-CD1 3.81Å; L532-L536 HydrophobicContact CD1-CD2 4.4Å; L532-L536 HydrophobicContact CD1-CG 3.86Å; L532-L536 HydrophobicContact CD2-CD1 4.23Å; L532-L536 HydrophobicContact CG-CD1 3.73Å; L532-L536 HydrophobicContact CG-CG 4.13Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 VanDerWaalsContact O-CG 3.27Å; L532-L536 WeakPolarHBondContact O-CG 3.4Å; L532-L536 PolarHBondContact O-N 3.31Å
533	W	90.7	Very high	90.1	Very high	57 Å²	57	53.9 Å²	53.9	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-33.5	-179.5	-80.9	101.4	0	0	0	112.7	I500 N502 K529 D530 D531 V535 R537 R543	I500-W533 PolarHBondContact O-NE1 2.69Å; N502-W533 HydrophobicContact CB-CZ2 4Å; K529-W533 PolarHBondContact O-N 2.77Å; D530-W533 PolarHBondContact O-N 3.48Å; D531-W533 PolarHBondContact O-N 3.01Å; W533-V535 VanDerWaalsContact C-N 3.33Å; W533-R537 PolarHBondContact O-N 3.44Å; W533-R537 VanDerWaalsContact O-N 3.12Å; W533-R543 VanDerWaalsContact CZ3-CZ 3.49Å
534	S	91.2	Very high	89.8	Confident	59 Å²	59	58.4 Å²	58.4	41%	0.413	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-41	174.4	80.1	0	0	0	0	111.8	D530 D531 L532 R537 Y538	D530-S534 WeakPolarHBondContact O-CB 3.22Å; D530-S534 PolarHBondContact O-N 3.46Å; D531-S534 PolarHBondContact O-N 2.72Å; D531-S534 PolarHBondContact O-OG 2.68Å; L532-S534 VanDerWaalsContact C-N 3.32Å; L532-S534 PolarHBondContact O-N 2.9Å; S534-R537 WeakPolarHBondContact O-CB 3.17Å; S534-Y538 VanDerWaalsContact O-CD2 3.26Å; S534-Y538 WeakPolarHBondContact O-CD2 3.46Å; S534-Y538 WeakPolarHBondContact O-CE2 3.32Å
535	V	89.2	Confident	89.4	Confident	9 Å²	9	61.7 Å²	61.7	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-73.4	-47.7	178.9	175	0	0	0	0	110.5	L438 E441 L442 D531 L532 W533 R537 Y538 Y539	L438-V535 HydrophobicContact CD1-CG1 3.36Å; E441-V535 HydrophobicContact CB-CG1 3.82Å; E441-V535 HydrophobicContact CB-CG2 4.07Å; L442-V535 HydrophobicContact CD2-CB 4.37Å; L442-V535 HydrophobicContact CD2-CG1 4.03Å; L442-V535 HydrophobicContact CG-CG1 4.22Å; D531-V535 WeakPolarHBondContact O-CG2 3.13Å; D531-V535 PolarHBondContact O-N 3.06Å; L532-V535 PolarHBondContact O-N 2.96Å; W533-V535 VanDerWaalsContact C-N 3.33Å; V535-R537 PolarHBondContact O-N 3.43Å; V535-R537 VanDerWaalsContact O-N 3.12Å; V535-Y538 PolarHBondContact O-N 2.7Å; V535-Y539 HydrophobicContact CG1-CD2 4.23Å; V535-Y539 HydrophobicContact CG1-CE2 4.48Å; V535-Y539 WeakPolarHBondContact O-CD2 3.45Å
536	L	88.9	Confident	89.1	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-19.3	179.9	-71.2	-176.7	0	0	0	113.9	L438 L532 Y538 Y539 A542 R543 L546	L438-L536 HydrophobicContact CD1-CD2 4.48Å; L532-L536 HydrophobicContact CD1-CD1 3.81Å; L532-L536 HydrophobicContact CD1-CD2 4.4Å; L532-L536 HydrophobicContact CD1-CG 3.86Å; L532-L536 HydrophobicContact CD2-CD1 4.23Å; L532-L536 HydrophobicContact CG-CD1 3.73Å; L532-L536 HydrophobicContact CG-CG 4.13Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 VanDerWaalsContact O-CG 3.27Å; L532-L536 WeakPolarHBondContact O-CG 3.4Å; L532-L536 PolarHBondContact O-N 3.31Å; L536-Y538 PolarHBondContact O-N 3.37Å; L536-Y539 CarbonylContact O-C 3.37Å; L536-Y539 PolarHBondContact O-N 3.23Å; L536-A542 HydrophobicContact CD2-CB 4.3Å; L536-R543 HydrophobicContact CB-CB 4.11Å; L536-R543 HydrophobicContact CB-CG 4.38Å; L536-R543 HydrophobicContact CD1-CB 4.39Å; L536-R543 HydrophobicContact CD1-CG 4.36Å; L536-R543 HydrophobicContact CD2-CB 4.28Å; L536-R543 HydrophobicContact CG-CB 4.49Å; L536-L546 HydrophobicContact CD1-CD1 3.89Å; L536-L546 HydrophobicContact CD2-CD1 3.61Å; L536-L546 HydrophobicContact CG-CD1 4.36Å
537	R	89.6	Confident	88.8	Confident	200 Å²	200	63.5 Å²	63.5	76%	0.755	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.7	171.8	-174	179.9	179.6	-177.1	1.3	112.4	W533 S534 V535	W533-R537 PolarHBondContact O-N 3.44Å; W533-R537 VanDerWaalsContact O-N 3.12Å; S534-R537 WeakPolarHBondContact O-CB 3.17Å; V535-R537 PolarHBondContact O-N 3.43Å; V535-R537 VanDerWaalsContact O-N 3.12Å
538	Y	89.2	Confident	88.5	Confident	173 Å²	173	69.2 Å²	69.2	68%	0.678	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-16.7	-179	-60.6	-77.6	0	0	0	113.2	S534 V535 L536 P540	S534-Y538 VanDerWaalsContact O-CD2 3.26Å; S534-Y538 WeakPolarHBondContact O-CD2 3.46Å; S534-Y538 WeakPolarHBondContact O-CE2 3.32Å; V535-Y538 PolarHBondContact O-N 2.7Å; L536-Y538 PolarHBondContact O-N 3.37Å; Y538-P540 WeakPolarHBondContact O-CD 3.48Å
539	Y	88.7	Confident	88	Confident	52 Å²	52	70.9 Å²	70.9	20%	0.204	33%	0.329	C	S	.	.			trans	-123.8	74.9	-177	-61.2	-81.4	0	0	0	111	G437 L438 E441 V535 L536 E541 A542 R543	G437-Y539 VanDerWaalsContact C-OH 3.28Å; L438-Y539 HydrophobicContact CB-CD1 4.13Å; L438-Y539 HydrophobicContact CB-CD2 4.12Å; L438-Y539 HydrophobicContact CB-CE1 4.27Å; L438-Y539 HydrophobicContact CB-CE2 4.26Å; L438-Y539 HydrophobicContact CB-CG 4.06Å; L438-Y539 HydrophobicContact CD1-CD2 3.48Å; L438-Y539 VanDerWaalsContact CD1-CD2 3.48Å; L438-Y539 HydrophobicContact CD1-CE2 4.14Å; L438-Y539 HydrophobicContact CD1-CG 3.81Å; L438-Y539 HydrophobicContact CG-CD2 4.41Å; L438-Y539 HydrophobicContact CG-CG 4.46Å; E441-Y539 HydrophobicContact CG-CE2 4.45Å; V535-Y539 HydrophobicContact CG1-CD2 4.23Å; V535-Y539 HydrophobicContact CG1-CE2 4.48Å; V535-Y539 WeakPolarHBondContact O-CD2 3.45Å; L536-Y539 CarbonylContact O-C 3.37Å; L536-Y539 PolarHBondContact O-N 3.23Å; Y539-E541 VanDerWaalsContact C-N 3.33Å; Y539-E541 PolarHBondContact O-N 3.39Å; Y539-A542 PolarHBondContact O-N 3.04Å; Y539-R543 PolarHBondContact O-N 2.89Å
540	P	87.4	Confident	87.7	Confident	73 Å²	73	68.6 Å²	68.6	47%	0.474	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-32.5	-173	25.4	-34.5	0	0	0	113.5	Y538 R543 K544	Y538-P540 WeakPolarHBondContact O-CD 3.48Å; P540-R543 WeakPolarHBondContact O-CB 3.32Å; P540-R543 PolarHBondContact O-N 2.83Å; P540-K544 WeakPolarHBondContact O-CG 3.42Å; P540-K544 PolarHBondContact O-N 3.05Å
541	E	85.7	Confident	87.4	Confident	118 Å²	118	64.3 Å²	64.3	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-68	-42.1	177.7	-64.1	-50.6	120.5	0	0	111.8	Y539 R543 K544 M545	Y539-E541 VanDerWaalsContact C-N 3.33Å; Y539-E541 PolarHBondContact O-N 3.39Å; E541-R543 VanDerWaalsContact C-N 3.31Å; E541-R543 PolarHBondContact O-N 2.95Å; E541-K544 PolarHBondContact O-N 3.14Å; E541-K544 IonicContact OE1-NZ 2.78Å; E541-K544 PolarHBondContact OE1-NZ 3.05Å; E541-K544 IonicContact OE2-NZ 3.33Å; E541-M545 PolarHBondContact O-N 3.26Å
542	A	85.2	Confident	87	Confident	12 Å²	12	68.4 Å²	68.4	10%	0.099	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-39.3	173	0	0	0	0	0	111.7	L438 L536 Y539 M545 L546	L438-A542 HydrophobicContact CD2-CB 3.42Å; L438-A542 VanDerWaalsContact CD2-CB 3.42Å; L536-A542 HydrophobicContact CD2-CB 4.3Å; Y539-A542 PolarHBondContact O-N 3.04Å; A542-M545 PolarHBondContact O-N 2.87Å; A542-L546 WeakPolarHBondContact O-CB 3.3Å; A542-L546 PolarHBondContact O-N 3.07Å
543	R	87.7	Confident	86.7	Confident	108 Å²	108	70.8 Å²	70.8	41%	0.408	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-47.5	173.3	-178.7	-176.4	165.3	-174.5	-2.6	111.5	W533 L536 Y539 P540 E541 L546 I547	W533-R543 VanDerWaalsContact CZ3-CZ 3.49Å; L536-R543 HydrophobicContact CB-CB 4.11Å; L536-R543 HydrophobicContact CB-CG 4.38Å; L536-R543 HydrophobicContact CD1-CB 4.39Å; L536-R543 HydrophobicContact CD1-CG 4.36Å; L536-R543 HydrophobicContact CD2-CB 4.28Å; L536-R543 HydrophobicContact CG-CB 4.49Å; Y539-R543 PolarHBondContact O-N 2.89Å; P540-R543 WeakPolarHBondContact O-CB 3.32Å; P540-R543 PolarHBondContact O-N 2.83Å; E541-R543 VanDerWaalsContact C-N 3.31Å; E541-R543 PolarHBondContact O-N 2.95Å; R543-L546 PolarHBondContact O-N 3.01Å; R543-I547 HydrophobicContact CG-CD1 3.85Å; R543-I547 VanDerWaalsContact O-CG1 3.3Å; R543-I547 WeakPolarHBondContact O-CG1 3.26Å; R543-I547 PolarHBondContact O-N 2.94Å
544	K	85.6	Confident	86.5	Confident	99 Å²	99	68 Å²	68	43%	0.43	31%	0.314	S	S	.	.	H	α-helix	trans	-60.5	-46.9	177.1	-71.8	171.7	-173.6	166.7	0	111.2	P540 E541 L546 I547 M548	P540-K544 WeakPolarHBondContact O-CG 3.42Å; P540-K544 PolarHBondContact O-N 3.05Å; E541-K544 PolarHBondContact O-N 3.14Å; E541-K544 IonicContact OE1-NZ 2.78Å; E541-K544 PolarHBondContact OE1-NZ 3.05Å; E541-K544 IonicContact OE2-NZ 3.33Å; K544-L546 PolarHBondContact O-N 3.45Å; K544-I547 PolarHBondContact O-N 2.98Å; K544-M548 HydrophobicContact CB-CE 4.49Å; K544-M548 WeakPolarHBondContact O-CB 3.45Å; K544-M548 VanDerWaalsContact O-CG 3.31Å; K544-M548 WeakPolarHBondContact O-CG 3Å; K544-M548 PolarHBondContact O-N 3.34Å
545	M	84.3	Confident	86.2	Confident	68 Å²	68	72.1 Å²	72.1	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-44.9	178.9	-173.7	-175.3	-76.1	0	0	112.1	D433 E541 A542 M548 K549	D433-M545 HydrophobicContact CB-CE 3.9Å; D433-M545 HydrophobicContact CB-SD 4.25Å; E541-M545 PolarHBondContact O-N 3.26Å; A542-M545 PolarHBondContact O-N 2.87Å; M545-M548 PolarHBondContact O-N 3.21Å; M545-K549 WeakPolarHBondContact O-CB 3.47Å; M545-K549 PolarHBondContact O-N 3.2Å
546	L	83	Confident	86.1	Confident	5 Å²	5	80 Å²	80	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-45.5	175.1	-86.4	158.4	0	0	0	112.5	I430 F431 L501 L536 A542 R543 K544 G550	I430-L546 HydrophobicContact CG2-CD2 3.32Å; I430-L546 HydrophobicContact CG2-CG 3.86Å; F431-L546 HydrophobicContact CE1-CD1 4.45Å; L501-L546 HydrophobicContact CD2-CB 4.09Å; L536-L546 HydrophobicContact CD1-CD1 3.89Å; L536-L546 HydrophobicContact CD2-CD1 3.61Å; L536-L546 HydrophobicContact CG-CD1 4.36Å; A542-L546 WeakPolarHBondContact O-CB 3.3Å; A542-L546 PolarHBondContact O-N 3.07Å; R543-L546 PolarHBondContact O-N 3.01Å; K544-L546 PolarHBondContact O-N 3.45Å; L546-G550 PolarHBondContact O-N 3.17Å
547	I	86.8	Confident	85.8	Confident	38 Å²	38	84.1 Å²	84.1	20%	0.195	38%	0.376	C	S	.	.	H	α-helix	trans	-66.6	-43.9	178.5	-68.4	169.7	0	0	0	111	R543 K544 K549 G550 K551	R543-I547 HydrophobicContact CG-CD1 3.85Å; R543-I547 VanDerWaalsContact O-CG1 3.3Å; R543-I547 WeakPolarHBondContact O-CG1 3.26Å; R543-I547 PolarHBondContact O-N 2.94Å; K544-I547 PolarHBondContact O-N 2.98Å; I547-K549 PolarHBondContact O-N 3.06Å; I547-G550 CarbonylContact O-C 3.59Å; I547-G550 PolarHBondContact O-N 3.32Å; I547-K551 HydrophobicContact CG2-CD 4.41Å; I547-K551 HydrophobicContact CG2-CG 4.44Å; I547-K551 WeakPolarHBondContact O-CG 3.27Å; I547-K551 PolarHBondContact O-N 3.38Å
548	M	85.4	Confident	85.5	Confident	122 Å²	122	80.7 Å²	80.7	60%	0.601	37%	0.372	S	S	*	.	H	α-helix	trans	-60.4	-46.6	177.8	-74.3	-172.4	-63.6	0	0	111.5	K544 M545 G550 K551 E552	K544-M548 HydrophobicContact CB-CE 4.49Å; K544-M548 WeakPolarHBondContact O-CB 3.45Å; K544-M548 VanDerWaalsContact O-CG 3.31Å; K544-M548 WeakPolarHBondContact O-CG 3Å; K544-M548 PolarHBondContact O-N 3.34Å; M545-M548 PolarHBondContact O-N 3.21Å; M548-G550 VanDerWaalsContact C-N 3.31Å; M548-G550 PolarHBondContact O-N 3.42Å; M548-K551 PolarHBondContact O-N 3.4Å; M548-E552 PolarHBondContact O-N 3.15Å
549	K	83	Confident	85.2	Confident	60 Å²	60	74.1 Å²	74.1	26%	0.261	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-38.5	175.7	-169.3	166	-179.5	169.8	0	111.8	T429 I430 M545 I547 E552 I553	T429-K549 PolarHBondContact OG1-NZ 3.24Å; I430-K549 HydrophobicContact CG1-CD 3.98Å; I430-K549 HydrophobicContact CG2-CD 4.32Å; M545-K549 WeakPolarHBondContact O-CB 3.47Å; M545-K549 PolarHBondContact O-N 3.2Å; I547-K549 PolarHBondContact O-N 3.06Å; K549-E552 PolarHBondContact O-N 3.15Å; K549-I553 HydrophobicContact CG-CD1 4.32Å; K549-I553 WeakPolarHBondContact O-CD1 3.46Å; K549-I553 VanDerWaalsContact O-CG1 3.27Å; K549-I553 WeakPolarHBondContact O-CG1 3.46Å; K549-I553 PolarHBondContact O-N 2.78Å; K549-I553 VanDerWaalsContact O-N 3.07Å
550	G	84.6	Confident	84.9	Confident	2 Å²	2	72.2 Å²	72.2	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-43.2	172.7	0	0	0	0	0	113.3	L546 I547 M548 I553 L554	L546-G550 PolarHBondContact O-N 3.17Å; I547-G550 CarbonylContact O-C 3.59Å; I547-G550 PolarHBondContact O-N 3.32Å; M548-G550 VanDerWaalsContact C-N 3.31Å; M548-G550 PolarHBondContact O-N 3.42Å; G550-I553 PolarHBondContact O-N 3.09Å; G550-L554 WeakPolarHBondContact O-CG 3.48Å; G550-L554 PolarHBondContact O-N 2.67Å
551	K	85.6	Confident	84.7	Confident	39 Å²	39	71.5 Å²	71.5	17%	0.17	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-42.6	174.6	-74.8	-175.7	173.4	-168.5	0	111.2	I503 I547 M548 I553 L554 R555 L560 D569	I503-K551 HydrophobicContact CG2-CG 3.76Å; I547-K551 HydrophobicContact CG2-CD 4.41Å; I547-K551 HydrophobicContact CG2-CG 4.44Å; I547-K551 WeakPolarHBondContact O-CG 3.27Å; I547-K551 PolarHBondContact O-N 3.38Å; M548-K551 PolarHBondContact O-N 3.4Å; K551-I553 PolarHBondContact O-N 2.83Å; K551-L554 PolarHBondContact O-N 2.93Å; K551-R555 WeakPolarHBondContact O-CB 3.2Å; K551-R555 PolarHBondContact O-N 2.73Å; K551-L560 HydrophobicContact CB-CD2 4.41Å; K551-D569 IonicContact NZ-OD1 2.92Å; K551-D569 PolarHBondContact NZ-OD1 3.49Å
552	E	85.6	Confident	84.4	Confident	141 Å²	141	70 Å²	70	66%	0.659	33%	0.327	S	S	*	.	H	α-helix	trans	-59.8	-45.7	176.7	-172.7	-175	176.9	0	0	112	M548 K549 R555 K556	M548-E552 PolarHBondContact O-N 3.15Å; K549-E552 PolarHBondContact O-N 3.15Å; E552-R555 PolarHBondContact O-N 3.33Å; E552-K556 PolarHBondContact O-N 2.74Å
553	I	84.1	Confident	84	Confident	50 Å²	50	74.6 Å²	74.6	26%	0.256	35%	0.35	S	S	.	.	H	α-helix	trans	-64.8	-45.3	177.2	-63.6	164.1	0	0	0	110.7	L498 K549 G550 K551 R555 K556 D557	L498-I553 HydrophobicContact CD1-CG2 3.86Å; L498-I553 HydrophobicContact CD2-CB 4.26Å; L498-I553 HydrophobicContact CD2-CG2 4.3Å; K549-I553 HydrophobicContact CG-CD1 4.32Å; K549-I553 WeakPolarHBondContact O-CD1 3.46Å; K549-I553 VanDerWaalsContact O-CG1 3.27Å; K549-I553 WeakPolarHBondContact O-CG1 3.46Å; K549-I553 PolarHBondContact O-N 2.78Å; K549-I553 VanDerWaalsContact O-N 3.07Å; G550-I553 PolarHBondContact O-N 3.09Å; K551-I553 PolarHBondContact O-N 2.83Å; I553-R555 VanDerWaalsContact C-N 3.33Å; I553-R555 PolarHBondContact O-N 3.18Å; I553-K556 WeakPolarHBondContact O-CB 3.37Å; I553-K556 PolarHBondContact O-N 2.79Å; I553-D557 PolarHBondContact O-N 3.27Å; I553-D557 VanDerWaalsContact O-N 3.13Å
554	L	85.4	Confident	83.5	Confident	0 Å²	0	72 Å²	72	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.4	-37.1	178.3	-73.6	171.9	0	0	0	112.7	L498 I503 N506 G550 K551 D557 N558 L559 L560	L498-L554 HydrophobicContact CD1-CD2 4.14Å; L498-L554 HydrophobicContact CD2-CG 4.19Å; I503-L554 HydrophobicContact CB-CD1 4.15Å; I503-L554 HydrophobicContact CD1-CD1 3.75Å; I503-L554 HydrophobicContact CG2-CD1 4.08Å; N506-L554 HydrophobicContact CB-CD1 3.99Å; G550-L554 WeakPolarHBondContact O-CG 3.48Å; G550-L554 PolarHBondContact O-N 2.67Å; K551-L554 PolarHBondContact O-N 2.93Å; L554-D557 PolarHBondContact O-N 2.97Å; L554-N558 PolarHBondContact O-N 2.78Å; L554-L559 HydrophobicContact CD2-CB 3.78Å; L554-L559 HydrophobicContact CD2-CD1 4.46Å; L554-L559 PolarHBondContact O-N 3.45Å; L554-L560 HydrophobicContact CB-CB 4.06Å; L554-L560 HydrophobicContact CB-CD1 4.23Å; L554-L560 HydrophobicContact CD1-CD1 4.06Å
555	R	86.3	Confident	82.8	Confident	144 Å²	144	68.3 Å²	68.3	54%	0.543	33%	0.331	S	S	.	.	H	α-helix	trans	-66.4	-42.1	175.3	-175.7	177.7	-96.1	158.4	-6.5	111.1	K551 E552 I553 D557 N558 L560 E562	K551-R555 WeakPolarHBondContact O-CB 3.2Å; K551-R555 PolarHBondContact O-N 2.73Å; E552-R555 PolarHBondContact O-N 3.33Å; I553-R555 VanDerWaalsContact C-N 3.33Å; I553-R555 PolarHBondContact O-N 3.18Å; R555-D557 VanDerWaalsContact C-N 3.26Å; R555-D557 PolarHBondContact O-N 3.47Å; R555-N558 PolarHBondContact O-N 2.62Å; R555-N558 VanDerWaalsContact O-N 3.13Å; R555-L560 HydrophobicContact CB-CD2 4.32Å; R555-E562 IonicContact CZ-OE1 3.67Å; R555-E562 VanDerWaalsContact CZ-OE1 3.26Å; R555-E562 IonicContact NE-OE1 3.39Å; R555-E562 PolarHBondContact NE-OE1 2.96Å; R555-E562 IonicContact NH2-OE1 3.99Å; R555-E562 PolarHBondContact NH2-OE1 3.45Å
556	K	86	Confident	82.2	Confident	176 Å²	176	70.7 Å²	70.7	77%	0.765	34%	0.341	S	S	*	.	H	α-helix	trans	-60.3	-36.2	176.5	-172.2	178.6	179.6	179.7	0	112.7	E552 I553 N558	E552-K556 PolarHBondContact O-N 2.74Å; I553-K556 WeakPolarHBondContact O-CB 3.37Å; I553-K556 PolarHBondContact O-N 2.79Å; K556-N558 VanDerWaalsContact C-N 3.35Å
557	D	83.1	Confident	81.8	Confident	87 Å²	87	76.8 Å²	76.8	47%	0.465	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3.9	179.5	-68.1	-10.8	0	0	0	113.4	I553 L554 R555 L559	I553-D557 PolarHBondContact O-N 3.27Å; I553-D557 VanDerWaalsContact O-N 3.13Å; L554-D557 PolarHBondContact O-N 2.97Å; R555-D557 VanDerWaalsContact C-N 3.26Å; R555-D557 PolarHBondContact O-N 3.47Å; D557-L559 HydrophobicContact CB-CD1 3.85Å; D557-L559 HydrophobicContact CB-CG 3.98Å; D557-L559 PolarHBondContact O-N 2.92Å
558	N	83	Confident	81.3	Confident	127 Å²	127	78.3 Å²	78.3	68%	0.679	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	26.4	-174.4	-65.1	-51.3	0	0	0	114.5	K507 L554 R555 K556	K507-N558 PolarHBondContact NZ-O 2.97Å; L554-N558 PolarHBondContact O-N 2.78Å; R555-N558 PolarHBondContact O-N 2.62Å; R555-N558 VanDerWaalsContact O-N 3.13Å; K556-N558 VanDerWaalsContact C-N 3.35Å
559	L	82.2	Confident	80.9	Confident	36 Å²	36	75.1 Å²	75.1	19%	0.188	36%	0.361	C	S	.	.			trans	-96.6	3.4	-177.8	-68.7	175.9	0	0	0	113.7	K507 N508 T513 L554 D557	K507-L559 WeakPolarHBondContact CB-O 3.39Å; K507-L559 WeakPolarHBondContact CG-O 3.5Å; K507-L559 PolarHBondContact N-O 2.88Å; N508-L559 WeakPolarHBondContact ND2-CD1 3.33Å; N508-L559 WeakPolarHBondContact ND2-CD2 3.45Å; T513-L559 HydrophobicContact CG2-CD1 4.16Å; L554-L559 HydrophobicContact CD2-CB 3.78Å; L554-L559 HydrophobicContact CD2-CD1 4.46Å; L554-L559 PolarHBondContact O-N 3.45Å; D557-L559 HydrophobicContact CB-CD1 3.85Å; D557-L559 HydrophobicContact CB-CG 3.98Å; D557-L559 PolarHBondContact O-N 2.92Å
560	L	82.8	Confident	80.7	Confident	12 Å²	12	77.6 Å²	77.6	6%	0.063	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-100	129.7	176.5	-159.2	58.6	0	0	0	109.8	I503 K551 L554 R555	I503-L560 HydrophobicContact CG2-CD1 4.17Å; K551-L560 HydrophobicContact CB-CD2 4.41Å; L554-L560 HydrophobicContact CB-CB 4.06Å; L554-L560 HydrophobicContact CB-CD1 4.23Å; L554-L560 HydrophobicContact CD1-CD1 4.06Å; R555-L560 HydrophobicContact CB-CD2 4.32Å
561	D	82.5	Confident	80.5	Confident	57 Å²	57	83.3 Å²	83.3	31%	0.305	40%	0.404	S	S	.	.			trans	-88.3	103.1	166.9	-168.3	-18.8	0	0	0	108.1	G505 N563 V564 Q565	G505-D561 WeakPolarHBondContact O-CB 3.39Å; G505-D561 PolarHBondContact O-N 3.49Å; D561-N563 PolarHBondContact O-N 2.95Å; D561-N563 PolarHBondContact OD1-N 3.09Å; D561-V564 HydrophobicContact CB-CB 4.4Å; D561-V564 HydrophobicContact CB-CG2 4.17Å; D561-V564 PolarHBondContact O-N 3.16Å; D561-Q565 PolarHBondContact O-N 3.24Å
562	E	79.9	Confident	80.2	Confident	87 Å²	87	85 Å²	85	41%	0.407	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-29.1	-176.1	-60.3	-162.8	138.2	0	0	111.8	R555 Q565 E566	R555-E562 IonicContact CZ-OE1 3.67Å; R555-E562 VanDerWaalsContact CZ-OE1 3.26Å; R555-E562 IonicContact NE-OE1 3.39Å; R555-E562 PolarHBondContact NE-OE1 2.96Å; R555-E562 IonicContact NH2-OE1 3.99Å; R555-E562 PolarHBondContact NH2-OE1 3.45Å; E562-Q565 PolarHBondContact O-N 3Å; E562-E566 WeakPolarHBondContact O-CB 3.42Å; E562-E566 WeakPolarHBondContact O-CG 3.4Å; E562-E566 PolarHBondContact O-N 3.46Å
563	N	76.8	Confident	80	Confident	108 Å²	108	82.9 Å²	82.9	58%	0.578	41%	0.408	S	S	*	.	H	α-helix	trans	-65.8	-46.1	179.5	-60.7	-39.1	0	0	0	111.4	D561 Q565 E566 E567	D561-N563 PolarHBondContact O-N 2.95Å; D561-N563 PolarHBondContact OD1-N 3.09Å; N563-Q565 VanDerWaalsContact C-N 3.25Å; N563-Q565 PolarHBondContact O-N 3.47Å; N563-E566 PolarHBondContact O-N 3.05Å; N563-E567 WeakPolarHBondContact O-CG 3.48Å; N563-E567 PolarHBondContact O-N 2.99Å
564	V	77.4	Confident	80	Confident	54 Å²	54	84.1 Å²	84.1	33%	0.327	42%	0.415	S	S	.	.	H	α-helix	trans	-66	-35.1	177.8	179.2	0	0	0	0	110.4	A504 D561 E567 E568	A504-V564 HydrophobicContact CB-CG1 4.31Å; D561-V564 HydrophobicContact CB-CB 4.4Å; D561-V564 HydrophobicContact CB-CG2 4.17Å; D561-V564 PolarHBondContact O-N 3.16Å; V564-E567 PolarHBondContact O-N 2.93Å; V564-E568 PolarHBondContact O-N 3.46Å
565	Q	72	Confident	79.9	Confident	22 Å²	22	87.2 Å²	87.2	10%	0.103	44%	0.436	C	S	.	.	H	α-helix	trans	-69.2	-39.3	175.8	-159.5	-160.9	-52.1	0	0	111.8	D561 E562 N563 E567 E568 D569	D561-Q565 PolarHBondContact O-N 3.24Å; E562-Q565 PolarHBondContact O-N 3Å; N563-Q565 VanDerWaalsContact C-N 3.25Å; N563-Q565 PolarHBondContact O-N 3.47Å; Q565-E567 VanDerWaalsContact C-N 3.33Å; Q565-E568 PolarHBondContact O-N 3.44Å; Q565-D569 PolarHBondContact NE2-OD2 3.15Å; Q565-D569 VanDerWaalsContact O-CB 3.26Å; Q565-D569 WeakPolarHBondContact O-CB 3.3Å; Q565-D569 PolarHBondContact O-N 3.07Å
566	E	70.5	Confident	79.7	Confident	117 Å²	117	87.8 Å²	87.8	55%	0.547	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-42.2	173.8	-76.7	176.9	-174.6	0	0	111	E562 N563 D569 I570	E562-E566 WeakPolarHBondContact O-CB 3.42Å; E562-E566 WeakPolarHBondContact O-CG 3.4Å; E562-E566 PolarHBondContact O-N 3.46Å; N563-E566 PolarHBondContact O-N 3.05Å; E566-D569 PolarHBondContact O-N 2.72Å; E566-I570 VanDerWaalsContact O-CB 3.3Å; E566-I570 WeakPolarHBondContact O-CB 3.35Å; E566-I570 WeakPolarHBondContact O-CD1 3.41Å; E566-I570 WeakPolarHBondContact O-CG1 3.42Å; E566-I570 PolarHBondContact O-N 3.41Å
567	E	75.4	Confident	79.7	Confident	134 Å²	134	85.8 Å²	85.8	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-60.5	-44.4	173.6	-73.2	179.8	-179.6	0	0	112.3	N563 V564 Q565 I570 M571	N563-E567 WeakPolarHBondContact O-CG 3.48Å; N563-E567 PolarHBondContact O-N 2.99Å; V564-E567 PolarHBondContact O-N 2.93Å; Q565-E567 VanDerWaalsContact C-N 3.33Å; E567-I570 PolarHBondContact O-N 2.93Å; E567-M571 WeakPolarHBondContact O-CB 3.43Å; E567-M571 PolarHBondContact O-N 2.79Å
568	E	76.2	Confident	79.9	Confident	70 Å²	70	87 Å²	87	33%	0.327	43%	0.428	S	S	.	.	H	α-helix	trans	-67.2	-43.9	176.6	-168.8	-178.4	-139.2	0	0	111.5	A504 V564 Q565 I570 M571 D572	A504-E568 HydrophobicContact CB-CB 4.24Å; A504-E568 HydrophobicContact CB-CG 4.28Å; A504-E568 WeakPolarHBondContact CB-OE1 3.23Å; A504-E568 WeakPolarHBondContact CB-OE2 3.49Å; V564-E568 PolarHBondContact O-N 3.46Å; Q565-E568 PolarHBondContact O-N 3.44Å; E568-I570 VanDerWaalsContact C-N 3.31Å; E568-I570 PolarHBondContact O-N 2.89Å; E568-M571 CarbonylContact O-C 3.56Å; E568-M571 PolarHBondContact O-N 2.96Å; E568-M571 VanDerWaalsContact O-N 3.16Å; E568-D572 WeakPolarHBondContact O-CB 3.47Å; E568-D572 PolarHBondContact O-N 3.36Å
569	D	76.3	Confident	80.1	Confident	55 Å²	55	84.3 Å²	84.3	29%	0.294	42%	0.416	S	S	.	.	H	α-helix	trans	-65.3	-35.9	178.6	-70.4	-26.2	0	0	0	110.2	K551 Q565 E566 N573	K551-D569 IonicContact NZ-OD1 2.92Å; K551-D569 PolarHBondContact NZ-OD1 3.49Å; Q565-D569 PolarHBondContact NE2-OD2 3.15Å; Q565-D569 VanDerWaalsContact O-CB 3.26Å; Q565-D569 WeakPolarHBondContact O-CB 3.3Å; Q565-D569 PolarHBondContact O-N 3.07Å; E566-D569 PolarHBondContact O-N 2.72Å; D569-N573 VanDerWaalsContact O-CB 3.24Å; D569-N573 WeakPolarHBondContact O-CB 3.36Å; D569-N573 PolarHBondContact O-N 3.5Å; D569-N573 PolarHBondContact O-ND2 2.94Å
570	I	78.6	Confident	80.4	Confident	112 Å²	112	87.4 Å²	87.4	57%	0.574	43%	0.433	S	S	*	.	H	α-helix	trans	-64.5	-47.1	170.6	-70.6	162.2	0	0	0	110.5	E566 E567 E568 N573 L574	E566-I570 VanDerWaalsContact O-CB 3.3Å; E566-I570 WeakPolarHBondContact O-CB 3.35Å; E566-I570 WeakPolarHBondContact O-CD1 3.41Å; E566-I570 WeakPolarHBondContact O-CG1 3.42Å; E566-I570 PolarHBondContact O-N 3.41Å; E567-I570 PolarHBondContact O-N 2.93Å; E568-I570 VanDerWaalsContact C-N 3.31Å; E568-I570 PolarHBondContact O-N 2.89Å; I570-N573 PolarHBondContact O-N 3.34Å; I570-L574 VanDerWaalsContact O-CB 3.26Å; I570-L574 WeakPolarHBondContact O-CB 3.45Å; I570-L574 PolarHBondContact O-N 2.7Å
571	M	80.1	Confident	80.7	Confident	122 Å²	122	90.5 Å²	90.5	60%	0.601	45%	0.447	S	S	*	.	H	α-helix	trans	-63.2	-41.9	179.3	-170.3	64.9	65.2	0	0	111.7	E567 E568 L574 S575	E567-M571 WeakPolarHBondContact O-CB 3.43Å; E567-M571 PolarHBondContact O-N 2.79Å; E568-M571 CarbonylContact O-C 3.56Å; E568-M571 PolarHBondContact O-N 2.96Å; E568-M571 VanDerWaalsContact O-N 3.16Å; M571-L574 PolarHBondContact O-N 3.07Å; M571-S575 VanDerWaalsContact O-CB 3.27Å; M571-S575 WeakPolarHBondContact O-CB 3.35Å; M571-S575 PolarHBondContact O-N 3.46Å
572	D	80.5	Confident	81.1	Confident	73 Å²	73	93.2 Å²	93.2	39%	0.39	46%	0.461	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176.1	-95.5	7.9	0	0	0	111.2	E568 S575 R576	E568-D572 WeakPolarHBondContact O-CB 3.47Å; E568-D572 PolarHBondContact O-N 3.36Å; D572-S575 PolarHBondContact O-N 3.41Å; D572-R576 WeakPolarHBondContact O-CB 3.3Å; D572-R576 WeakPolarHBondContact O-CG 3.49Å; D572-R576 PolarHBondContact O-N 3.26Å
573	N	81.7	Confident	81.6	Confident	97 Å²	97	94.8 Å²	94.8	52%	0.519	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-41.3	175	-75.6	-30	0	0	0	111.6	D569 I570 R576 Y577	D569-N573 VanDerWaalsContact O-CB 3.24Å; D569-N573 WeakPolarHBondContact O-CB 3.36Å; D569-N573 PolarHBondContact O-N 3.5Å; D569-N573 PolarHBondContact O-ND2 2.94Å; I570-N573 PolarHBondContact O-N 3.34Å; N573-R576 PolarHBondContact O-N 3.32Å; N573-Y577 WeakPolarHBondContact O-CB 3.34Å; N573-Y577 PolarHBondContact O-N 2.85Å
574	L	83.5	Confident	82.2	Confident	77 Å²	77	92 Å²	92	40%	0.403	45%	0.453	S	S	.	.	H	α-helix	trans	-65.8	-42.3	175.5	-175	64.3	0	0	0	111.3	I570 M571 Y577 F578	I570-L574 VanDerWaalsContact O-CB 3.26Å; I570-L574 WeakPolarHBondContact O-CB 3.45Å; I570-L574 PolarHBondContact O-N 2.7Å; M571-L574 PolarHBondContact O-N 3.07Å; L574-Y577 PolarHBondContact O-N 2.94Å; L574-F578 HydrophobicContact CD1-CD2 4Å; L574-F578 HydrophobicContact CD1-CE2 3.46Å; L574-F578 VanDerWaalsContact CD1-CE2 3.46Å; L574-F578 HydrophobicContact CD1-CZ 4.09Å; L574-F578 HydrophobicContact CD2-CE2 3.96Å; L574-F578 HydrophobicContact CG-CD2 3.78Å; L574-F578 HydrophobicContact CG-CE2 3.46Å; L574-F578 VanDerWaalsContact CG-CE2 3.46Å; L574-F578 WeakPolarHBondContact O-CD2 3.41Å; L574-F578 PolarHBondContact O-N 3.35Å
575	S	82.8	Confident	82.9	Confident	65 Å²	65	93.9 Å²	93.9	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-62.4	-42.9	175.4	-175.2	0	0	0	0	111.7	M571 D572 F578 T579	M571-S575 VanDerWaalsContact O-CB 3.27Å; M571-S575 WeakPolarHBondContact O-CB 3.35Å; M571-S575 PolarHBondContact O-N 3.46Å; D572-S575 PolarHBondContact O-N 3.41Å; S575-F578 PolarHBondContact O-N 3.36Å; S575-T579 WeakPolarHBondContact O-CB 3.37Å; S575-T579 PolarHBondContact O-N 3.49Å; S575-T579 PolarHBondContact O-OG1 3.04Å
576	R	83.4	Confident	83.9	Confident	156 Å²	156	98.8 Å²	98.8	59%	0.589	49%	0.485	S	S	*	.	H	α-helix	trans	-63.1	-45	173.3	-75.3	-179.9	-167.8	169.3	10.2	111.9	D572 N573 F578 T579 D580	D572-R576 WeakPolarHBondContact O-CB 3.3Å; D572-R576 WeakPolarHBondContact O-CG 3.49Å; D572-R576 PolarHBondContact O-N 3.26Å; N573-R576 PolarHBondContact O-N 3.32Å; R576-F578 PolarHBondContact O-N 2.9Å; R576-T579 PolarHBondContact O-N 3Å; R576-D580 WeakPolarHBondContact O-CB 3.16Å; R576-D580 PolarHBondContact O-N 2.92Å
577	Y	85.2	Confident	84.9	Confident	133 Å²	133	101.2 Å²	101.2	52%	0.522	49%	0.489	S	S	.	.	H	α-helix	trans	-57.9	-48.1	175.9	177.4	-97.5	0	0	0	111.2	N573 L574 T579 D580 Q581	N573-Y577 WeakPolarHBondContact O-CB 3.34Å; N573-Y577 PolarHBondContact O-N 2.85Å; L574-Y577 PolarHBondContact O-N 2.94Å; Y577-T579 VanDerWaalsContact C-N 3.34Å; Y577-T579 PolarHBondContact O-N 3.18Å; Y577-D580 PolarHBondContact O-N 3.21Å; Y577-Q581 HydrophobicContact CD1-CG 4.24Å; Y577-Q581 HydrophobicContact CE1-CG 3.85Å; Y577-Q581 HydrophobicContact CE2-CG 4.22Å; Y577-Q581 WeakPolarHBondContact O-CB 3.28Å; Y577-Q581 VanDerWaalsContact O-CG 3.27Å; Y577-Q581 WeakPolarHBondContact O-CG 3.24Å; Y577-Q581 PolarHBondContact O-N 3.37Å
578	F	87.3	Confident	85.7	Confident	112 Å²	112	102.1 Å²	102.1	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-38.8	176.1	-77.5	-57.9	0	0	0	112.7	L574 S575 R576 Q581 I582	L574-F578 HydrophobicContact CD1-CD2 4Å; L574-F578 HydrophobicContact CD1-CE2 3.46Å; L574-F578 VanDerWaalsContact CD1-CE2 3.46Å; L574-F578 HydrophobicContact CD1-CZ 4.09Å; L574-F578 HydrophobicContact CD2-CE2 3.96Å; L574-F578 HydrophobicContact CG-CD2 3.78Å; L574-F578 HydrophobicContact CG-CE2 3.46Å; L574-F578 VanDerWaalsContact CG-CE2 3.46Å; L574-F578 WeakPolarHBondContact O-CD2 3.41Å; L574-F578 PolarHBondContact O-N 3.35Å; S575-F578 PolarHBondContact O-N 3.36Å; R576-F578 PolarHBondContact O-N 2.9Å; F578-Q581 PolarHBondContact O-N 3.46Å; F578-I582 WeakPolarHBondContact O-CB 3.35Å; F578-I582 WeakPolarHBondContact O-CD1 3.29Å; F578-I582 WeakPolarHBondContact O-CG1 3.49Å; F578-I582 PolarHBondContact O-N 2.93Å
579	T	86.9	Confident	86.4	Confident	71 Å²	71	106.4 Å²	106.4	44%	0.436	50%	0.501	S	S	.	.	H	α-helix	trans	-63.8	-44.1	178	-55.1	0	0	0	0	111.1	S575 R576 Y577 I582 E583	S575-T579 WeakPolarHBondContact O-CB 3.37Å; S575-T579 PolarHBondContact O-N 3.49Å; S575-T579 PolarHBondContact O-OG1 3.04Å; R576-T579 PolarHBondContact O-N 3Å; Y577-T579 VanDerWaalsContact C-N 3.34Å; Y577-T579 PolarHBondContact O-N 3.18Å; T579-I582 PolarHBondContact O-N 2.91Å; T579-E583 PolarHBondContact O-N 3.38Å
580	D	88	Confident	87.1	Confident	101 Å²	101	108.8 Å²	108.8	54%	0.54	51%	0.511	S	S	.	.	H	α-helix	trans	-65.2	-42.5	177.3	-167.7	53.4	0	0	0	111.6	R576 Y577 I582 E583 D584	R576-D580 WeakPolarHBondContact O-CB 3.16Å; R576-D580 PolarHBondContact O-N 2.92Å; Y577-D580 PolarHBondContact O-N 3.21Å; D580-I582 PolarHBondContact O-N 3.02Å; D580-E583 PolarHBondContact O-N 2.95Å; D580-D584 PolarHBondContact O-N 3.41Å
581	Q	90	Very high	87.8	Confident	77 Å²	77	108.5 Å²	108.5	36%	0.36	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-40.8	173.2	-69.5	-62.2	-57.1	0	0	112.3	Y577 F578 D584 V585	Y577-Q581 HydrophobicContact CD1-CG 4.24Å; Y577-Q581 HydrophobicContact CE1-CG 3.85Å; Y577-Q581 HydrophobicContact CE2-CG 4.22Å; Y577-Q581 WeakPolarHBondContact O-CB 3.28Å; Y577-Q581 VanDerWaalsContact O-CG 3.27Å; Y577-Q581 WeakPolarHBondContact O-CG 3.24Å; Y577-Q581 PolarHBondContact O-N 3.37Å; F578-Q581 PolarHBondContact O-N 3.46Å; Q581-D584 PolarHBondContact O-N 3.27Å; Q581-V585 WeakPolarHBondContact O-CB 3.36Å; Q581-V585 VanDerWaalsContact O-CG2 3.27Å; Q581-V585 WeakPolarHBondContact O-CG2 3.25Å; Q581-V585 PolarHBondContact O-N 2.87Å
582	I	90.2	Very high	88.4	Confident	114 Å²	114	107.7 Å²	107.7	59%	0.585	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-41.5	176.4	-72.8	166.1	0	0	0	110.5	F578 T579 D580 V585 K586	F578-I582 WeakPolarHBondContact O-CB 3.35Å; F578-I582 WeakPolarHBondContact O-CD1 3.29Å; F578-I582 WeakPolarHBondContact O-CG1 3.49Å; F578-I582 PolarHBondContact O-N 2.93Å; T579-I582 PolarHBondContact O-N 2.91Å; D580-I582 PolarHBondContact O-N 3.02Å; I582-V585 PolarHBondContact O-N 3.35Å; I582-K586 WeakPolarHBondContact O-CB 3.37Å; I582-K586 PolarHBondContact O-N 3.08Å
583	E	89.9	Confident	89	Confident	121 Å²	121	106.4 Å²	106.4	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-63.6	-40.5	175.2	-80.2	-171.5	169.7	0	0	112.1	T579 D580 K586 R587	T579-E583 PolarHBondContact O-N 3.38Å; D580-E583 PolarHBondContact O-N 2.95Å; E583-K586 PolarHBondContact O-N 3.12Å; E583-R587 WeakPolarHBondContact O-CB 3.27Å; E583-R587 PolarHBondContact O-N 3.34Å
584	D	91.2	Very high	89.5	Confident	50 Å²	50	104.9 Å²	104.9	27%	0.267	49%	0.494	S	S	.	.	H	α-helix	trans	-65.6	-45.8	175.2	-169.6	53	0	0	0	111.9	D580 Q581 K586 R587 R588	D580-D584 PolarHBondContact O-N 3.41Å; Q581-D584 PolarHBondContact O-N 3.27Å; D584-K586 VanDerWaalsContact C-N 3.31Å; D584-K586 PolarHBondContact O-N 2.99Å; D584-R587 PolarHBondContact O-N 3.03Å; D584-R588 WeakPolarHBondContact O-CG 3.4Å; D584-R588 PolarHBondContact O-N 2.97Å; D584-R588 IonicContact OD1-NE 3.09Å; D584-R588 IonicContact OD2-CZ 3.88Å; D584-R588 IonicContact OD2-NE 3.47Å; D584-R588 PolarHBondContact OD2-NE 3.18Å; D584-R588 IonicContact OD2-NH2 3.26Å; D584-R588 PolarHBondContact OD2-NH2 3.24Å
585	V	91	Very high	90	Very high	92 Å²	92	107.1 Å²	107.1	56%	0.558	50%	0.502	S	S	*	.	H	α-helix	trans	-60.6	-42.4	175.5	170.2	0	0	0	0	111	Q581 I582 R588 Y589	Q581-V585 WeakPolarHBondContact O-CB 3.36Å; Q581-V585 VanDerWaalsContact O-CG2 3.27Å; Q581-V585 WeakPolarHBondContact O-CG2 3.25Å; Q581-V585 PolarHBondContact O-N 2.87Å; I582-V585 PolarHBondContact O-N 3.35Å; V585-R588 PolarHBondContact O-N 3.28Å; V585-Y589 WeakPolarHBondContact O-CB 3.39Å; V585-Y589 PolarHBondContact O-N 3.11Å
586	K	93.1	Very high	90.4	Very high	125 Å²	125	111.1 Å²	111.1	54%	0.543	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-44.5	176.9	-173.4	-177	175.8	-165.7	0	111.2	I582 E583 D584 R588 Y589 E590	I582-K586 WeakPolarHBondContact O-CB 3.37Å; I582-K586 PolarHBondContact O-N 3.08Å; E583-K586 PolarHBondContact O-N 3.12Å; D584-K586 VanDerWaalsContact C-N 3.31Å; D584-K586 PolarHBondContact O-N 2.99Å; K586-R588 VanDerWaalsContact C-N 3.34Å; K586-R588 PolarHBondContact O-N 3.44Å; K586-Y589 PolarHBondContact O-N 3.06Å; K586-E590 VanDerWaalsContact CE-OE1 3.25Å; K586-E590 WeakPolarHBondContact CE-OE1 3.49Å; K586-E590 WeakPolarHBondContact O-CG 3.32Å; K586-E590 PolarHBondContact O-N 3.36Å
587	R	90.8	Very high	90.8	Very high	168 Å²	168	109 Å²	109	63%	0.634	51%	0.505	S	S	*	.	H	α-helix	trans	-61.2	-41.5	176.1	-170.4	-175.8	-72.8	175.3	-0.3	111.8	E583 D584 E590 L591	E583-R587 WeakPolarHBondContact O-CB 3.27Å; E583-R587 PolarHBondContact O-N 3.34Å; D584-R587 PolarHBondContact O-N 3.03Å; R587-E590 PolarHBondContact O-N 3.24Å; R587-L591 WeakPolarHBondContact O-CG 3.24Å; R587-L591 PolarHBondContact O-N 3.18Å; R587-L591 VanDerWaalsContact O-N 3.13Å
588	R	92.1	Very high	91.2	Very high	154 Å²	154	108.4 Å²	108.4	58%	0.581	51%	0.505	S	S	*	.	H	α-helix	trans	-65.6	-41.1	175	-68.5	178.4	-164.8	-163.1	5.2	112.3	D584 V585 K586 L591 I592	D584-R588 WeakPolarHBondContact O-CG 3.4Å; D584-R588 PolarHBondContact O-N 2.97Å; D584-R588 IonicContact OD1-NE 3.09Å; D584-R588 IonicContact OD2-CZ 3.88Å; D584-R588 IonicContact OD2-NE 3.47Å; D584-R588 PolarHBondContact OD2-NE 3.18Å; D584-R588 IonicContact OD2-NH2 3.26Å; D584-R588 PolarHBondContact OD2-NH2 3.24Å; V585-R588 PolarHBondContact O-N 3.28Å; K586-R588 VanDerWaalsContact C-N 3.34Å; K586-R588 PolarHBondContact O-N 3.44Å; R588-L591 PolarHBondContact O-N 2.88Å; R588-I592 WeakPolarHBondContact O-CG1 3.42Å; R588-I592 PolarHBondContact O-N 3.26Å
589	Y	91.2	Very high	91.4	Very high	159 Å²	159	109.3 Å²	109.3	62%	0.624	51%	0.511	S	S	*	.	H	α-helix	trans	-61.6	-46.5	176.1	178.8	-99.2	0	0	0	111.3	V585 K586 L591 I592 V593	V585-Y589 WeakPolarHBondContact O-CB 3.39Å; V585-Y589 PolarHBondContact O-N 3.11Å; K586-Y589 PolarHBondContact O-N 3.06Å; Y589-L591 VanDerWaalsContact C-N 3.29Å; Y589-L591 PolarHBondContact O-N 3.36Å; Y589-I592 PolarHBondContact O-N 3.03Å; Y589-I592 VanDerWaalsContact O-N 3.17Å; Y589-V593 HydrophobicContact CD1-CG2 4.11Å; Y589-V593 HydrophobicContact CE1-CG2 3.69Å; Y589-V593 HydrophobicContact CE2-CG2 4.12Å; Y589-V593 WeakPolarHBondContact O-CG2 3.08Å; Y589-V593 PolarHBondContact O-N 3.22Å
590	E	91.9	Very high	91.7	Very high	106 Å²	106	110 Å²	110	50%	0.495	51%	0.509	S	S	.	.	H	α-helix	trans	-58.2	-39.6	175.8	-73.2	171.6	-177.9	0	0	112	K586 R587 V593 D594	K586-E590 VanDerWaalsContact CE-OE1 3.25Å; K586-E590 WeakPolarHBondContact CE-OE1 3.49Å; K586-E590 WeakPolarHBondContact O-CG 3.32Å; K586-E590 PolarHBondContact O-N 3.36Å; R587-E590 PolarHBondContact O-N 3.24Å; E590-V593 PolarHBondContact O-N 3.29Å; E590-D594 PolarHBondContact O-N 3.44Å
591	L	93	Very high	91.8	Very high	105 Å²	105	111.1 Å²	111.1	55%	0.55	51%	0.511	S	S	.	.	H	α-helix	trans	-65.6	-41.4	174.7	-73.7	167.7	0	0	0	113.4	R587 R588 Y589 D594 Q595	R587-L591 WeakPolarHBondContact O-CG 3.24Å; R587-L591 PolarHBondContact O-N 3.18Å; R587-L591 VanDerWaalsContact O-N 3.13Å; R588-L591 PolarHBondContact O-N 2.88Å; Y589-L591 VanDerWaalsContact C-N 3.29Å; Y589-L591 PolarHBondContact O-N 3.36Å; L591-D594 PolarHBondContact O-N 2.97Å; L591-Q595 PolarHBondContact O-N 3.01Å
592	I	93.5	Very high	92	Very high	105 Å²	105	111.2 Å²	111.2	54%	0.538	52%	0.517	S	S	.	.	H	α-helix	trans	-66.8	-39.9	177.8	-69.1	168.4	0	0	0	110.6	R588 Y589 Q595 Y596	R588-I592 WeakPolarHBondContact O-CG1 3.42Å; R588-I592 PolarHBondContact O-N 3.26Å; Y589-I592 PolarHBondContact O-N 3.03Å; Y589-I592 VanDerWaalsContact O-N 3.17Å; I592-Q595 PolarHBondContact O-N 3Å; I592-Y596 WeakPolarHBondContact O-CB 3.47Å; I592-Y596 PolarHBondContact O-N 3.19Å
593	V	93	Very high	92.1	Very high	46 Å²	46	110.4 Å²	110.4	28%	0.279	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-45.8	176.1	172.4	0	0	0	0	110.6	Y589 E590 Q595 Y596 E597	Y589-V593 HydrophobicContact CD1-CG2 4.11Å; Y589-V593 HydrophobicContact CE1-CG2 3.69Å; Y589-V593 HydrophobicContact CE2-CG2 4.12Å; Y589-V593 WeakPolarHBondContact O-CG2 3.08Å; Y589-V593 PolarHBondContact O-N 3.22Å; E590-V593 PolarHBondContact O-N 3.29Å; V593-Q595 VanDerWaalsContact C-N 3.34Å; V593-Q595 PolarHBondContact O-N 2.83Å; V593-Y596 PolarHBondContact O-N 2.86Å; V593-E597 WeakPolarHBondContact O-CG 3.33Å; V593-E597 PolarHBondContact O-N 3.31Å
594	D	91.8	Very high	92.2	Very high	66 Å²	66	110 Å²	110	35%	0.353	51%	0.511	S	S	.	.	H	α-helix	trans	-61.5	-38.8	176	178.4	70.9	0	0	0	112.6	E590 L591 K598	E590-D594 PolarHBondContact O-N 3.44Å; L591-D594 PolarHBondContact O-N 2.97Å; D594-K598 WeakPolarHBondContact O-CG 3.25Å; D594-K598 PolarHBondContact O-N 2.75Å; D594-K598 VanDerWaalsContact O-N 3.15Å; D594-K598 IonicContact OD1-NZ 2.83Å; D594-K598 WeakPolarHBondContact OD2-CE 3.33Å; D594-K598 IonicContact OD2-NZ 3.43Å; D594-K598 PolarHBondContact OD2-NZ 3.43Å
595	Q	93.6	Very high	92.1	Very high	123 Å²	123	112.6 Å²	112.6	58%	0.575	53%	0.525	S	S	*	.	H	α-helix	trans	-64.7	-44.8	173.3	-78.6	-179.7	-24.5	0	0	112.2	L591 I592 V593 E597 K598 E599	L591-Q595 PolarHBondContact O-N 3.01Å; I592-Q595 PolarHBondContact O-N 3Å; V593-Q595 VanDerWaalsContact C-N 3.34Å; V593-Q595 PolarHBondContact O-N 2.83Å; Q595-E597 VanDerWaalsContact C-N 3.35Å; Q595-E597 PolarHBondContact O-N 2.95Å; Q595-K598 PolarHBondContact O-N 3.38Å; Q595-E599 PolarHBondContact O-N 2.89Å
596	Y	91.9	Very high	92.2	Very high	150 Å²	150	116.1 Å²	116.1	59%	0.588	53%	0.529	S	S	*	.	H	α-helix	trans	-62.3	-42.1	178.8	-175.8	-97	0	0	0	111.8	I592 V593 K598 E599 Q600	I592-Y596 WeakPolarHBondContact O-CB 3.47Å; I592-Y596 PolarHBondContact O-N 3.19Å; V593-Y596 PolarHBondContact O-N 2.86Å; Y596-K598 PolarHBondContact O-N 3.24Å; Y596-E599 PolarHBondContact O-N 2.84Å; Y596-Q600 VanDerWaalsContact O-CB 3.31Å; Y596-Q600 WeakPolarHBondContact O-CB 3.24Å; Y596-Q600 PolarHBondContact O-N 3.15Å
597	E	92.1	Very high	92.1	Very high	110 Å²	110	114.5 Å²	114.5	51%	0.514	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-42.7	175.9	-74.3	-179.9	174.5	0	0	111.7	V593 Q595 Q600 Q601	V593-E597 WeakPolarHBondContact O-CG 3.33Å; V593-E597 PolarHBondContact O-N 3.31Å; Q595-E597 VanDerWaalsContact C-N 3.35Å; Q595-E597 PolarHBondContact O-N 2.95Å; E597-Q600 PolarHBondContact O-N 2.88Å; E597-Q601 WeakPolarHBondContact O-CB 3.46Å; E597-Q601 PolarHBondContact O-N 3.14Å
598	K	92	Very high	92	Very high	122 Å²	122	108.7 Å²	108.7	53%	0.53	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-43.1	175.6	-75.6	169.1	-180	158.8	0	113	D594 Q595 Y596 Q601 T602	D594-K598 WeakPolarHBondContact O-CG 3.25Å; D594-K598 PolarHBondContact O-N 2.75Å; D594-K598 VanDerWaalsContact O-N 3.15Å; D594-K598 IonicContact OD1-NZ 2.83Å; D594-K598 WeakPolarHBondContact OD2-CE 3.33Å; D594-K598 IonicContact OD2-NZ 3.43Å; D594-K598 PolarHBondContact OD2-NZ 3.43Å; Q595-K598 PolarHBondContact O-N 3.38Å; Y596-K598 PolarHBondContact O-N 3.24Å; K598-Q601 PolarHBondContact O-N 2.88Å; K598-T602 WeakPolarHBondContact O-CB 3.42Å; K598-T602 PolarHBondContact O-N 3.41Å; K598-T602 PolarHBondContact O-OG1 3.49Å
599	E	93.2	Very high	91.9	Very high	130 Å²	130	103.9 Å²	103.9	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-65.7	-42.1	176.4	-74.1	-173.4	171.4	0	0	111.5	Q595 Y596 Q601 T602 L603	Q595-E599 PolarHBondContact O-N 2.89Å; Y596-E599 PolarHBondContact O-N 2.84Å; E599-Q601 VanDerWaalsContact C-N 3.31Å; E599-Q601 PolarHBondContact O-N 3.24Å; E599-T602 PolarHBondContact O-N 2.89Å; E599-L603 WeakPolarHBondContact O-CB 3.43Å; E599-L603 WeakPolarHBondContact O-CG 3.39Å; E599-L603 PolarHBondContact O-N 3.42Å
600	Q	93.2	Very high	91.8	Very high	87 Å²	87	101.6 Å²	101.6	41%	0.407	50%	0.504	S	S	.	.	H	α-helix	trans	-61.2	-42.2	176.9	-168.7	-175.5	-10	0	0	111.2	Y596 E597 L603 Q604	Y596-Q600 VanDerWaalsContact O-CB 3.31Å; Y596-Q600 WeakPolarHBondContact O-CB 3.24Å; Y596-Q600 PolarHBondContact O-N 3.15Å; E597-Q600 PolarHBondContact O-N 2.88Å; Q600-L603 PolarHBondContact O-N 3.3Å; Q600-Q604 WeakPolarHBondContact O-CG 3.3Å; Q600-Q604 PolarHBondContact O-N 2.79Å
601	Q	90.3	Very high	91.7	Very high	123 Å²	123	101.6 Å²	101.6	58%	0.575	50%	0.504	S	S	*	.	H	α-helix	trans	-66.8	-41.9	177	-166.4	146.8	9	0	0	111.9	E597 K598 E599 L603 Q604 D605	E597-Q601 WeakPolarHBondContact O-CB 3.46Å; E597-Q601 PolarHBondContact O-N 3.14Å; K598-Q601 PolarHBondContact O-N 2.88Å; E599-Q601 VanDerWaalsContact C-N 3.31Å; E599-Q601 PolarHBondContact O-N 3.24Å; Q601-L603 VanDerWaalsContact C-N 3.31Å; Q601-L603 PolarHBondContact O-N 3.31Å; Q601-Q604 PolarHBondContact O-N 3.35Å; Q601-D605 PolarHBondContact O-N 3.15Å
602	T	92.6	Very high	91.3	Very high	79 Å²	79	100.3 Å²	100.3	49%	0.485	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-39.2	174.7	-53.4	0	0	0	0	112	K598 E599 D605 R606	K598-T602 WeakPolarHBondContact O-CB 3.42Å; K598-T602 PolarHBondContact O-N 3.41Å; K598-T602 PolarHBondContact O-OG1 3.49Å; E599-T602 PolarHBondContact O-N 2.89Å; T602-D605 PolarHBondContact O-N 3.32Å; T602-R606 WeakPolarHBondContact O-CG 3.35Å; T602-R606 PolarHBondContact O-N 2.92Å
603	L	92.4	Very high	91.1	Very high	97 Å²	97	102.4 Å²	102.4	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-42.7	175	-78.3	168.3	0	0	0	111.8	E599 Q600 Q601 D605 R606 I607	E599-L603 WeakPolarHBondContact O-CB 3.43Å; E599-L603 WeakPolarHBondContact O-CG 3.39Å; E599-L603 PolarHBondContact O-N 3.42Å; Q600-L603 PolarHBondContact O-N 3.3Å; Q601-L603 VanDerWaalsContact C-N 3.31Å; Q601-L603 PolarHBondContact O-N 3.31Å; L603-D605 VanDerWaalsContact C-N 3.34Å; L603-D605 PolarHBondContact O-N 3.12Å; L603-R606 PolarHBondContact O-N 3.31Å; L603-I607 VanDerWaalsContact O-CG1 3.29Å; L603-I607 WeakPolarHBondContact O-CG1 3.38Å; L603-I607 PolarHBondContact O-N 3.4Å
604	Q	91.6	Very high	90.7	Very high	112 Å²	112	106.2 Å²	106.2	52%	0.523	52%	0.524	S	S	.	.	H	α-helix	trans	-59.8	-44.2	174.9	-76.1	179.7	-13.8	0	0	111.6	Q600 Q601 R606 I607 A608	Q600-Q604 WeakPolarHBondContact O-CG 3.3Å; Q600-Q604 PolarHBondContact O-N 2.79Å; Q601-Q604 PolarHBondContact O-N 3.35Å; Q604-R606 PolarHBondContact O-N 3.04Å; Q604-I607 PolarHBondContact O-N 3Å; Q604-A608 WeakPolarHBondContact O-CB 3.25Å; Q604-A608 PolarHBondContact O-N 3.07Å
605	D	91	Very high	90.2	Very high	106 Å²	106	109.8 Å²	109.8	57%	0.567	54%	0.536	S	S	*	.	H	α-helix	trans	-63	-40.7	176.8	-69.8	-21.4	0	0	0	112	Q601 T602 L603 A608 A609	Q601-D605 PolarHBondContact O-N 3.15Å; T602-D605 PolarHBondContact O-N 3.32Å; L603-D605 VanDerWaalsContact C-N 3.34Å; L603-D605 PolarHBondContact O-N 3.12Å; D605-A608 PolarHBondContact O-N 2.95Å; D605-A609 WeakPolarHBondContact O-CB 3.29Å; D605-A609 PolarHBondContact O-N 3.46Å
606	R	92.1	Very high	89.6	Confident	165 Å²	165	108.3 Å²	108.3	62%	0.623	53%	0.533	S	S	*	.	H	α-helix	trans	-65.6	-40.7	175.9	-74.9	176	67.9	179.2	1.5	112.4	T602 L603 Q604 A609 L610	T602-R606 WeakPolarHBondContact O-CG 3.35Å; T602-R606 PolarHBondContact O-N 2.92Å; L603-R606 PolarHBondContact O-N 3.31Å; Q604-R606 PolarHBondContact O-N 3.04Å; R606-A609 PolarHBondContact O-N 3.13Å; R606-L610 WeakPolarHBondContact O-CG 3.34Å; R606-L610 PolarHBondContact O-N 3.15Å
607	I	90.2	Very high	88.9	Confident	91 Å²	91	103.5 Å²	103.5	47%	0.467	52%	0.524	S	S	.	.	H	α-helix	trans	-63.2	-47.4	175.6	-69.4	166.2	0	0	0	109.4	L603 Q604 A609 L610 E611	L603-I607 VanDerWaalsContact O-CG1 3.29Å; L603-I607 WeakPolarHBondContact O-CG1 3.38Å; L603-I607 PolarHBondContact O-N 3.4Å; Q604-I607 PolarHBondContact O-N 3Å; I607-A609 VanDerWaalsContact C-N 3.31Å; I607-A609 PolarHBondContact O-N 3.04Å; I607-L610 PolarHBondContact O-N 3.34Å; I607-L610 VanDerWaalsContact O-N 3.11Å; I607-E611 HydrophobicContact CG2-CG 4.34Å; I607-E611 WeakPolarHBondContact O-CG 3.18Å; I607-E611 PolarHBondContact O-N 3.45Å
608	A	89.5	Confident	87.9	Confident	46 Å²	46	104.2 Å²	104.2	38%	0.38	53%	0.527	S	S	.	.	H	α-helix	trans	-59.9	-39.2	177.1	0	0	0	0	0	112.8	Q604 D605 E611 T612	Q604-A608 WeakPolarHBondContact O-CB 3.25Å; Q604-A608 PolarHBondContact O-N 3.07Å; D605-A608 PolarHBondContact O-N 2.95Å; A608-E611 PolarHBondContact O-N 2.77Å; A608-T612 WeakPolarHBondContact O-CB 3.46Å; A608-T612 PolarHBondContact O-N 3.39Å; A608-T612 PolarHBondContact O-OG1 3.44Å
609	A	89.9	Confident	86.6	Confident	53 Å²	53	102.9 Å²	102.9	44%	0.438	53%	0.528	S	S	.	.	H	α-helix	trans	-65.8	-41	174.4	0	0	0	0	0	112.4	D605 R606 I607 T612 K613	D605-A609 WeakPolarHBondContact O-CB 3.29Å; D605-A609 PolarHBondContact O-N 3.46Å; R606-A609 PolarHBondContact O-N 3.13Å; I607-A609 VanDerWaalsContact C-N 3.31Å; I607-A609 PolarHBondContact O-N 3.04Å; A609-T612 PolarHBondContact O-N 2.92Å; A609-K613 WeakPolarHBondContact O-CG 3.32Å; A609-K613 PolarHBondContact O-N 3.34Å
610	L	90.1	Very high	85.1	Confident	112 Å²	112	103.9 Å²	103.9	59%	0.586	53%	0.533	S	S	*	.	H	α-helix	trans	-66.5	-41.4	175.5	-74.4	171.1	0	0	0	111.8	R606 I607 T612 K613 L614	R606-L610 WeakPolarHBondContact O-CG 3.34Å; R606-L610 PolarHBondContact O-N 3.15Å; I607-L610 PolarHBondContact O-N 3.34Å; I607-L610 VanDerWaalsContact O-N 3.11Å; L610-T612 VanDerWaalsContact C-N 3.29Å; L610-T612 PolarHBondContact O-N 3.48Å; L610-K613 PolarHBondContact O-N 2.96Å; L610-L614 WeakPolarHBondContact O-CB 3.4Å; L610-L614 PolarHBondContact O-N 3.1Å
611	E	88.5	Confident	83.5	Confident	106 Å²	106	104.6 Å²	104.6	50%	0.495	54%	0.544	S	S	.	.	H	α-helix	trans	-61.4	-38.4	174.3	-74.1	-179.4	176.6	0	0	111.7	I607 A608 L614 K615	I607-E611 HydrophobicContact CG2-CG 4.34Å; I607-E611 WeakPolarHBondContact O-CG 3.18Å; I607-E611 PolarHBondContact O-N 3.45Å; A608-E611 PolarHBondContact O-N 2.77Å; E611-L614 PolarHBondContact O-N 2.99Å; E611-K615 WeakPolarHBondContact O-CB 3.21Å; E611-K615 WeakPolarHBondContact O-CG 3.23Å; E611-K615 PolarHBondContact O-N 3.35Å
612	T	86	Confident	81.8	Confident	77 Å²	77	104.7 Å²	104.7	47%	0.472	55%	0.548	S	S	.	.	H	α-helix	trans	-68	-43.5	176.3	-55.1	0	0	0	0	111.2	A608 A609 L610 L614 K615 N616	A608-T612 WeakPolarHBondContact O-CB 3.46Å; A608-T612 PolarHBondContact O-N 3.39Å; A608-T612 PolarHBondContact O-OG1 3.44Å; A609-T612 PolarHBondContact O-N 2.92Å; L610-T612 VanDerWaalsContact C-N 3.29Å; L610-T612 PolarHBondContact O-N 3.48Å; T612-L614 PolarHBondContact O-N 2.97Å; T612-K615 PolarHBondContact O-N 3.2Å; T612-N616 VanDerWaalsContact O-CG 3.27Å; T612-N616 PolarHBondContact O-N 3.41Å; T612-N616 PolarHBondContact O-OD1 2.84Å
613	K	87.9	Confident	79.5	Confident	149 Å²	149	109.3 Å²	109.3	65%	0.648	58%	0.576	S	S	*	*	H	α-helix	trans	-62.3	-41.4	173.8	-75.7	-176.6	178.9	-176	0	112.2	A609 L610 N616 A617	A609-K613 WeakPolarHBondContact O-CG 3.32Å; A609-K613 PolarHBondContact O-N 3.34Å; L610-K613 PolarHBondContact O-N 2.96Å; K613-N616 PolarHBondContact O-N 3.05Å; K613-A617 WeakPolarHBondContact O-CB 3.18Å; K613-A617 PolarHBondContact O-N 3Å
614	L	85.2	Confident	78.9	Confident	127 Å²	127	110 Å²	110	67%	0.665	58%	0.579	S	S	*	*	H	α-helix	trans	-63.6	-44.1	177.4	-164.8	86.8	0	0	0	110.8	L610 E611 T612 A617 H618	L610-L614 WeakPolarHBondContact O-CB 3.4Å; L610-L614 PolarHBondContact O-N 3.1Å; E611-L614 PolarHBondContact O-N 2.99Å; T612-L614 PolarHBondContact O-N 2.97Å; L614-A617 PolarHBondContact O-N 2.61Å; L614-H618 WeakPolarHBondContact O-CB 3.42Å; L614-H618 PolarHBondContact O-N 3.2Å
615	K	81.4	Confident	78.2	Confident	141 Å²	141	109.8 Å²	109.8	61%	0.613	58%	0.582	S	S	*	*	H	α-helix	trans	-59.6	-44.9	174.3	-78.1	174.8	-179.4	172.5	0	111.8	E611 T612 H618 V619	E611-K615 WeakPolarHBondContact O-CB 3.21Å; E611-K615 WeakPolarHBondContact O-CG 3.23Å; E611-K615 PolarHBondContact O-N 3.35Å; T612-K615 PolarHBondContact O-N 3.2Å; K615-H618 PolarHBondContact O-N 2.95Å; K615-V619 WeakPolarHBondContact O-CG2 3.26Å; K615-V619 PolarHBondContact O-N 2.88Å; K615-V619 VanDerWaalsContact O-N 3.07Å
616	N	81.3	Confident	77.5	Confident	92 Å²	92	110.1 Å²	110.1	49%	0.492	58%	0.583	S	S	.	*	H	α-helix	trans	-65.8	-43.1	178.5	-68.1	-6.4	0	0	0	112.2	T612 K613 H618 V619 E620	T612-N616 VanDerWaalsContact O-CG 3.27Å; T612-N616 PolarHBondContact O-N 3.41Å; T612-N616 PolarHBondContact O-OD1 2.84Å; K613-N616 PolarHBondContact O-N 3.05Å; N616-H618 VanDerWaalsContact C-N 3.29Å; N616-H618 PolarHBondContact O-N 3.25Å; N616-V619 WeakPolarHBondContact O-CB 3.34Å; N616-V619 PolarHBondContact O-N 3.17Å; N616-V619 VanDerWaalsContact O-N 3.12Å; N616-E620 PolarHBondContact O-N 2.84Å
617	A	76.8	Confident	76.7	Confident	49 Å²	49	106.8 Å²	106.8	41%	0.405	58%	0.581	S	S	.	*	H	α-helix	trans	-62.7	-36.6	175.3	0	0	0	0	0	112	K613 L614 V619 E620 T621	K613-A617 WeakPolarHBondContact O-CB 3.18Å; K613-A617 PolarHBondContact O-N 3Å; L614-A617 PolarHBondContact O-N 2.61Å; A617-V619 VanDerWaalsContact C-N 3.29Å; A617-V619 PolarHBondContact O-N 2.97Å; A617-E620 PolarHBondContact O-N 3.39Å; A617-T621 PolarHBondContact O-N 3.17Å; A617-T621 PolarHBondContact O-OG1 3.38Å; A617-T621 VanDerWaalsContact O-OG1 3.13Å
618	H	70	Confident	75.8	Confident	125 Å²	125	107.8 Å²	107.8	58%	0.579	59%	0.588	S	S	*	*	H	α-helix	trans	-69.2	-27.2	175.7	-136	67.1	0	0	0	112.9	L614 K615 N616 T621 N622	L614-H618 WeakPolarHBondContact O-CB 3.42Å; L614-H618 PolarHBondContact O-N 3.2Å; K615-H618 PolarHBondContact O-N 2.95Å; N616-H618 VanDerWaalsContact C-N 3.29Å; N616-H618 PolarHBondContact O-N 3.25Å; H618-T621 WeakPolarHBondContact CA-OG1 3.49Å; H618-T621 PolarHBondContact O-OG1 2.88Å; H618-N622 WeakPolarHBondContact O-CB 3.49Å; H618-N622 PolarHBondContact O-ND2 2.89Å
619	V	66.4	Low	74.9	Confident	93 Å²	93	111.9 Å²	111.9	56%	0.564	60%	0.602	S	S	*	*	H	α-helix	trans	-75.5	-40.7	172.5	173.8	0	0	0	0	110.5	K615 N616 A617 T621 N622 V623	K615-V619 WeakPolarHBondContact O-CG2 3.26Å; K615-V619 PolarHBondContact O-N 2.88Å; K615-V619 VanDerWaalsContact O-N 3.07Å; N616-V619 WeakPolarHBondContact O-CB 3.34Å; N616-V619 PolarHBondContact O-N 3.17Å; N616-V619 VanDerWaalsContact O-N 3.12Å; A617-V619 VanDerWaalsContact C-N 3.29Å; A617-V619 PolarHBondContact O-N 2.97Å; V619-T621 VanDerWaalsContact C-N 3.29Å; V619-T621 PolarHBondContact O-N 3.15Å; V619-N622 PolarHBondContact O-N 3.11Å; V619-N622 VanDerWaalsContact O-N 3.15Å; V619-V623 PolarHBondContact O-N 3.1Å
620	E	60.6	Low	73.8	Confident	152 Å²	152	116.1 Å²	116.1	71%	0.71	61%	0.614	S	S	*	*	H	α-helix	trans	-66.5	-26.8	175.9	-73.4	177.9	177.5	0	0	113.5	N616 A617	N616-E620 PolarHBondContact O-N 2.84Å; A617-E620 PolarHBondContact O-N 3.39Å
621	T	60	Low	72.6	Confident	101 Å²	101	116.5 Å²	116.5	62%	0.62	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-9.6	173.3	50.8	0	0	0	0	114.3	A617 H618 V619	A617-T621 PolarHBondContact O-N 3.17Å; A617-T621 PolarHBondContact O-OG1 3.38Å; A617-T621 VanDerWaalsContact O-OG1 3.13Å; H618-T621 WeakPolarHBondContact CA-OG1 3.49Å; H618-T621 PolarHBondContact O-OG1 2.88Å; V619-T621 VanDerWaalsContact C-N 3.29Å; V619-T621 PolarHBondContact O-N 3.15Å
622	N	53.6	Low	71.3	Confident	125 Å²	125	117.3 Å²	117.3	67%	0.668	63%	0.626	S	S	*	*			trans	-112.2	13.4	-179.1	-77.2	-49.8	0	0	0	113.3	H618 V619	H618-N622 WeakPolarHBondContact O-CB 3.49Å; H618-N622 PolarHBondContact O-ND2 2.89Å; V619-N622 PolarHBondContact O-N 3.11Å; V619-N622 VanDerWaalsContact O-N 3.15Å
623	V	45.8	Very low	69.9	Low	177 Å²	177	121 Å²	121	100%	1.073	64%	0.64	S	S	*	*			trans	-118	0	166	179.7	0	0	0	0	107.4	V619	V619-V623 PolarHBondContact O-N 3.1Å

Retrieved 623 of 623 residues in 1211.4 ms (Link to these results)

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