A0A087YFP4_POEFO Loading...

Geranylgeranyl transferase type-2 subunit alpha

Catalyzes the transfer of a geranyl-geranyl moiety from geranyl-geranyl pyrophosphate to cysteines occuring in specific C-terminal amino acid sequences. Catalyzes the transfer of a geranylgeranyl moiety from geranylgeranyl diphosphate to both cysteines of Rab proteins with the C-terminal sequence -XXCC, -XCXC and -CCXX, such as RAB1A, RAB3A, RAB5A and RAB7A.

AlphaFold DB , UniProt , Accession A0A087YFP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 585 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	57.5	Low	71	Confident	223 Å²	223	140.2 Å²	140.2	100%	1.099	74%	0.741	S	S	*	*				0	6.7	0	-83.5	-156	-77.1	0	0	113.9
2	H	58.3	Low	71.4	Confident	181 Å²	181	140 Å²	140	84%	0.838	73%	0.733	S	S	*	*			trans	-101.1	153.8	-172.8	-55.2	-65.1	0	0	0	112.9	R4	H2-R4 VanDerWaalsContact C-N 3.27Å; H2-R4 PolarHBondContact O-N 2.88Å
3	G	62.6	Low	72	Confident	79 Å²	79	136.5 Å²	136.5	81%	0.814	71%	0.711	S	S	*	*			trans	70.7	6.9	168.8	0	0	0	0	0	117	V5	G3-V5 PolarHBondContact O-N 3.18Å; G3-V5 VanDerWaalsContact O-N 3.08Å
4	R	71.8	Confident	72.7	Confident	215 Å²	215	134.4 Å²	134.4	81%	0.811	70%	0.695	S	S	*	*			trans	-75.3	100.5	177.5	-72.3	-165.6	177.4	-175.4	1.3	110.7	H2 K6	H2-R4 VanDerWaalsContact C-N 3.27Å; H2-R4 PolarHBondContact O-N 2.88Å; R4-K6 PolarHBondContact O-N 3.16Å
5	V	75.8	Confident	73.4	Confident	124 Å²	124	129.4 Å²	129.4	75%	0.752	67%	0.668	S	S	*	*			trans	-61.8	130	172.4	-177.5	0	0	0	0	109.4	G3 V7	G3-V5 PolarHBondContact O-N 3.18Å; G3-V5 VanDerWaalsContact O-N 3.08Å; V5-V7 PolarHBondContact O-N 3.45Å
6	K	75.4	Confident	74.1	Confident	205 Å²	205	128.2 Å²	128.2	89%	0.891	66%	0.658	S	S	*	*			trans	-72.7	97.7	174.5	-169	176.8	-176.8	178.2	0	108.8	R4	R4-K6 PolarHBondContact O-N 3.16Å
7	V	77.4	Confident	74.8	Confident	101 Å²	101	126.4 Å²	126.4	61%	0.612	64%	0.644	S	S	*	*			trans	-84.4	129.6	175.1	-175.5	0	0	0	0	108.7	V5 T9	V5-V7 PolarHBondContact O-N 3.45Å; V7-T9 HydrophobicContact CG1-CG2 4.34Å; V7-T9 PolarHBondContact O-N 3.04Å
8	K	68.5	Low	75.5	Confident	213 Å²	213	126.8 Å²	126.8	93%	0.926	64%	0.637	S	S	*	*			trans	-72.3	105	168.8	-72.2	-176.3	179.9	179.2	0	108.1
9	T	76.8	Confident	76.2	Confident	37 Å²	37	126.8 Å²	126.8	23%	0.227	63%	0.632	C	S	.	*			trans	-99	148.6	175.1	32.1	0	0	0	0	110.4	V7 E14	V7-T9 HydrophobicContact CG1-CG2 4.34Å; V7-T9 PolarHBondContact O-N 3.04Å; T9-E14 WeakPolarHBondContact OG1-CG 3.4Å; T9-E14 PolarHBondContact OG1-OE1 2.82Å
10	T	79.6	Confident	76.9	Confident	82 Å²	82	125.5 Å²	125.5	50%	0.503	62%	0.624	S	S	.	*			trans	-71.7	153.6	171.9	62.6	0	0	0	0	109.8	Q12 Q13 E14	T10-Q12 PolarHBondContact O-N 3.28Å; T10-Q12 VanDerWaalsContact O-N 3.12Å; T10-Q13 PolarHBondContact O-N 2.95Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.42Å; T10-Q13 PolarHBondContact OG1-N 2.88Å; T10-E14 PolarHBondContact O-N 2.99Å
11	A	77.8	Confident	77.5	Confident	82 Å²	82	127.4 Å²	127.4	68%	0.678	62%	0.624	S	S	*	*	H	α-helix	trans	-54.9	-33.7	179.6	0	0	0	0	0	112.8	E15	A11-E15 WeakPolarHBondContact O-CB 3.32Å; A11-E15 PolarHBondContact O-N 3.42Å
12	Q	74.9	Confident	79.2	Confident	138 Å²	138	121.1 Å²	121.1	65%	0.645	59%	0.592	S	S	*	*	H	α-helix	trans	-67.7	-44.8	176	-174.7	178.4	-8.7	0	0	112.6	T10 E14 E15 E16	T10-Q12 PolarHBondContact O-N 3.28Å; T10-Q12 VanDerWaalsContact O-N 3.12Å; Q12-E14 VanDerWaalsContact C-N 3.31Å; Q12-E14 PolarHBondContact O-N 3.17Å; Q12-E15 PolarHBondContact O-N 3.11Å; Q12-E16 PolarHBondContact NE2-OE1 3.18Å; Q12-E16 WeakPolarHBondContact O-CG 2.91Å; Q12-E16 PolarHBondContact O-N 3.1Å
13	Q	79.9	Confident	80.8	Confident	95 Å²	95	120.1 Å²	120.1	44%	0.444	59%	0.585	S	S	.	*	H	α-helix	trans	-68	-31.8	177.4	-71.9	174.7	-14.4	0	0	112.3	T10 K17	T10-Q13 PolarHBondContact O-N 2.95Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.42Å; T10-Q13 PolarHBondContact OG1-N 2.88Å; Q13-K17 WeakPolarHBondContact O-CB 3.48Å; Q13-K17 WeakPolarHBondContact O-CG 3.44Å; Q13-K17 PolarHBondContact O-N 3.01Å; Q13-K17 VanDerWaalsContact O-N 3.09Å
14	E	81.3	Confident	82.1	Confident	106 Å²	106	122.6 Å²	122.6	50%	0.495	57%	0.574	S	S	.	*	H	α-helix	trans	-66.4	-43.5	173.1	-72.1	-178.8	178	0	0	111.5	T9 T10 Q12 K17 R18	T9-E14 WeakPolarHBondContact OG1-CG 3.4Å; T9-E14 PolarHBondContact OG1-OE1 2.82Å; T10-E14 PolarHBondContact O-N 2.99Å; Q12-E14 VanDerWaalsContact C-N 3.31Å; Q12-E14 PolarHBondContact O-N 3.17Å; E14-K17 PolarHBondContact O-N 3.39Å; E14-R18 VanDerWaalsContact O-CB 3.3Å; E14-R18 WeakPolarHBondContact O-CB 3.45Å; E14-R18 PolarHBondContact O-N 3.1Å
15	E	83.4	Confident	83.1	Confident	60 Å²	60	117.3 Å²	117.3	28%	0.28	56%	0.561	S	S	.	*	H	α-helix	trans	-64.2	-43.6	177.8	-173.9	57.8	-151.4	0	0	112.3	A11 Q12 R18 K19	A11-E15 WeakPolarHBondContact O-CB 3.32Å; A11-E15 PolarHBondContact O-N 3.42Å; Q12-E15 PolarHBondContact O-N 3.11Å; E15-R18 WeakPolarHBondContact O-CB 3.49Å; E15-R18 PolarHBondContact O-N 2.77Å; E15-R18 IonicContact OE1-CZ 2.74Å; E15-R18 IonicContact OE1-NE 3.62Å; E15-R18 IonicContact OE1-NH2 2.69Å; E15-R18 PolarHBondContact OE1-NH2 3.27Å; E15-R18 IonicContact OE2-CZ 2.73Å; E15-R18 IonicContact OE2-NE 3.9Å; E15-R18 PolarHBondContact OE2-NE 3.14Å; E15-R18 IonicContact OE2-NH1 3.08Å; E15-R18 IonicContact OE2-NH2 2.86Å; E15-R18 PolarHBondContact OE2-NH2 2.97Å; E15-K19 WeakPolarHBondContact O-CG 3.21Å; E15-K19 PolarHBondContact O-N 3.23Å; E15-K19 WeakPolarHBondContact OE1-CE 3.4Å
16	E	84.9	Confident	84	Confident	110 Å²	110	118.9 Å²	118.9	51%	0.514	56%	0.557	S	S	.	*	H	α-helix	trans	-62.3	-47.4	176.1	-73.9	170.5	-171.5	0	0	111.5	Q12 R18 K19 E20	Q12-E16 PolarHBondContact NE2-OE1 3.18Å; Q12-E16 WeakPolarHBondContact O-CG 2.91Å; Q12-E16 PolarHBondContact O-N 3.1Å; E16-R18 VanDerWaalsContact C-N 3.28Å; E16-R18 PolarHBondContact O-N 3.29Å; E16-K19 PolarHBondContact O-N 3.1Å; E16-E20 PolarHBondContact O-N 2.75Å
17	K	85	Confident	84.7	Confident	98 Å²	98	112.8 Å²	112.8	43%	0.426	54%	0.538	S	S	.	.	H	α-helix	trans	-63	-34.5	175.3	-76.3	177.4	-179.4	174.3	0	112.2	Q13 E14 R21	Q13-K17 WeakPolarHBondContact O-CB 3.48Å; Q13-K17 WeakPolarHBondContact O-CG 3.44Å; Q13-K17 PolarHBondContact O-N 3.01Å; Q13-K17 VanDerWaalsContact O-N 3.09Å; E14-K17 PolarHBondContact O-N 3.39Å; K17-R21 WeakPolarHBondContact O-CB 3.46Å; K17-R21 WeakPolarHBondContact O-CG 3.15Å; K17-R21 PolarHBondContact O-N 3.5Å
18	R	87.4	Confident	85.4	Confident	133 Å²	133	110.5 Å²	110.5	50%	0.502	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-51.5	176	-173.6	178.6	73.1	179.5	6	110.5	E14 E15 E16 E20 R21 E22	E14-R18 VanDerWaalsContact O-CB 3.3Å; E14-R18 WeakPolarHBondContact O-CB 3.45Å; E14-R18 PolarHBondContact O-N 3.1Å; E15-R18 WeakPolarHBondContact O-CB 3.49Å; E15-R18 PolarHBondContact O-N 2.77Å; E15-R18 IonicContact OE1-CZ 2.74Å; E15-R18 IonicContact OE1-NE 3.62Å; E15-R18 IonicContact OE1-NH2 2.69Å; E15-R18 PolarHBondContact OE1-NH2 3.27Å; E15-R18 IonicContact OE2-CZ 2.73Å; E15-R18 IonicContact OE2-NE 3.9Å; E15-R18 PolarHBondContact OE2-NE 3.14Å; E15-R18 IonicContact OE2-NH1 3.08Å; E15-R18 IonicContact OE2-NH2 2.86Å; E15-R18 PolarHBondContact OE2-NH2 2.97Å; E16-R18 VanDerWaalsContact C-N 3.28Å; E16-R18 PolarHBondContact O-N 3.29Å; R18-E20 VanDerWaalsContact C-N 3.31Å; R18-E20 PolarHBondContact O-N 2.98Å; R18-R21 PolarHBondContact O-N 3.06Å; R18-R21 VanDerWaalsContact O-N 3.17Å; R18-E22 WeakPolarHBondContact CG-OE1 3.4Å; R18-E22 IonicContact NE-OE1 3.5Å; R18-E22 WeakPolarHBondContact O-CG 3.39Å; R18-E22 PolarHBondContact O-N 3.42Å
19	K	89.9	Confident	86.7	Confident	127 Å²	127	102.6 Å²	102.6	55%	0.552	49%	0.487	S	S	*	.	H	α-helix	trans	-58.7	-41.3	177.6	-71.7	178.1	-178.3	175.9	0	112.3	E15 E16 E22 K23	E15-K19 WeakPolarHBondContact O-CG 3.21Å; E15-K19 PolarHBondContact O-N 3.23Å; E15-K19 WeakPolarHBondContact OE1-CE 3.4Å; E16-K19 PolarHBondContact O-N 3.1Å; K19-E22 PolarHBondContact O-N 3.33Å; K19-K23 PolarHBondContact O-N 2.84Å
20	E	90.3	Very high	87.5	Confident	101 Å²	101	103.7 Å²	103.7	47%	0.472	50%	0.5	S	S	.	.	H	α-helix	trans	-63.3	-45.5	176.2	-166.2	-163.6	158.7	0	0	111.9	E16 R18 K23 K24	E16-E20 PolarHBondContact O-N 2.75Å; R18-E20 VanDerWaalsContact C-N 3.31Å; R18-E20 PolarHBondContact O-N 2.98Å; E20-K23 PolarHBondContact O-N 3.26Å; E20-K24 PolarHBondContact O-N 2.72Å; E20-K24 VanDerWaalsContact OE1-CE 3.23Å; E20-K24 WeakPolarHBondContact OE1-CE 3.49Å; E20-K24 IonicContact OE1-NZ 2.82Å; E20-K24 PolarHBondContact OE1-NZ 2.9Å
21	R	89.6	Confident	88.2	Confident	166 Å²	166	100.2 Å²	100.2	63%	0.626	48%	0.48	S	S	*	.	H	α-helix	trans	-63.6	-41.3	177.2	-75.4	172.7	-177.1	179.2	3.7	112	K17 R18 K23 K24 L25	K17-R21 WeakPolarHBondContact O-CB 3.46Å; K17-R21 WeakPolarHBondContact O-CG 3.15Å; K17-R21 PolarHBondContact O-N 3.5Å; R18-R21 PolarHBondContact O-N 3.06Å; R18-R21 VanDerWaalsContact O-N 3.17Å; R21-K23 VanDerWaalsContact C-N 3.34Å; R21-K23 PolarHBondContact O-N 2.9Å; R21-K24 PolarHBondContact O-N 2.73Å; R21-L25 VanDerWaalsContact O-CB 3.24Å; R21-L25 WeakPolarHBondContact O-CB 3.45Å; R21-L25 PolarHBondContact O-N 2.96Å
22	E	92.5	Very high	89.1	Confident	90 Å²	90	100.3 Å²	100.3	42%	0.421	46%	0.463	S	S	.	.	H	α-helix	trans	-61.8	-42	176.2	-75.7	173.9	-172.3	0	0	111.7	R18 K19 L25 K26	R18-E22 WeakPolarHBondContact CG-OE1 3.4Å; R18-E22 IonicContact NE-OE1 3.5Å; R18-E22 WeakPolarHBondContact O-CG 3.39Å; R18-E22 PolarHBondContact O-N 3.42Å; K19-E22 PolarHBondContact O-N 3.33Å; E22-L25 PolarHBondContact O-N 3.09Å; E22-K26 WeakPolarHBondContact O-CG 3.46Å; E22-K26 PolarHBondContact O-N 2.86Å
23	K	92.2	Very high	90.1	Very high	161 Å²	161	97.2 Å²	97.2	70%	0.7	45%	0.451	S	S	*	.	H	α-helix	trans	-62.4	-46.4	175.5	-172	177.4	178.6	-178.7	0	111.5	K19 E20 R21 L25 K26 V27	K19-K23 PolarHBondContact O-N 2.84Å; E20-K23 PolarHBondContact O-N 3.26Å; R21-K23 VanDerWaalsContact C-N 3.34Å; R21-K23 PolarHBondContact O-N 2.9Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 2.91Å; K23-K26 PolarHBondContact O-N 3.32Å; K23-V27 PolarHBondContact O-N 3.08Å
24	K	90.7	Very high	90.9	Very high	131 Å²	131	94.6 Å²	94.6	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-62.9	-40.2	176.1	-71.7	179.7	-177.7	172.8	0	111.9	E20 R21 V27 Y28	E20-K24 PolarHBondContact O-N 2.72Å; E20-K24 VanDerWaalsContact OE1-CE 3.23Å; E20-K24 WeakPolarHBondContact OE1-CE 3.49Å; E20-K24 IonicContact OE1-NZ 2.82Å; E20-K24 PolarHBondContact OE1-NZ 2.9Å; R21-K24 PolarHBondContact O-N 2.73Å; K24-V27 PolarHBondContact O-N 2.81Å; K24-Y28 WeakPolarHBondContact O-CB 3.23Å; K24-Y28 PolarHBondContact O-N 3.08Å
25	L	92.1	Very high	91.6	Very high	103 Å²	103	89.6 Å²	89.6	54%	0.539	42%	0.422	S	S	.	.	H	α-helix	trans	-64.2	-42.3	179	-178	62.9	0	0	0	111.7	R21 E22 K23 V27 Y28 V29	R21-L25 VanDerWaalsContact O-CB 3.24Å; R21-L25 WeakPolarHBondContact O-CB 3.45Å; R21-L25 PolarHBondContact O-N 2.96Å; E22-L25 PolarHBondContact O-N 3.09Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 2.91Å; L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 2.79Å; L25-Y28 PolarHBondContact O-N 3.21Å; L25-V29 HydrophobicContact CD1-CG2 4.03Å; L25-V29 HydrophobicContact CG-CG2 4.26Å; L25-V29 WeakPolarHBondContact O-CB 3.36Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.45Å; L25-V29 PolarHBondContact O-N 2.98Å
26	K	93.5	Very high	92.3	Very high	157 Å²	157	90.4 Å²	90.4	68%	0.683	43%	0.425	S	S	*	.	H	α-helix	trans	-58.3	-45.9	176.1	-74.9	177.5	-178.1	-178.1	0	111.9	E22 K23 V29 A30	E22-K26 WeakPolarHBondContact O-CG 3.46Å; E22-K26 PolarHBondContact O-N 2.86Å; K23-K26 PolarHBondContact O-N 3.32Å; K26-V29 PolarHBondContact O-N 3.31Å; K26-A30 WeakPolarHBondContact O-CB 3.33Å; K26-A30 PolarHBondContact O-N 2.99Å
27	V	91.4	Very high	92.9	Very high	78 Å²	78	88.1 Å²	88.1	47%	0.473	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-43.8	176.5	177.6	0	0	0	0	111	K23 K24 L25 A30 A31	K23-V27 PolarHBondContact O-N 3.08Å; K24-V27 PolarHBondContact O-N 2.81Å; L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 2.79Å; V27-A30 PolarHBondContact O-N 3.19Å; V27-A31 WeakPolarHBondContact O-CB 3.48Å; V27-A31 PolarHBondContact O-N 2.97Å
28	Y	92.8	Very high	93.4	Very high	53 Å²	53	85 Å²	85	21%	0.208	41%	0.408	C	S	.	.	H	α-helix	trans	-62.2	-43.8	178.7	-172.2	-86.4	0	0	0	112.5	K24 L25 A31 R32 L55 A58 N59 F62	K24-Y28 WeakPolarHBondContact O-CB 3.23Å; K24-Y28 PolarHBondContact O-N 3.08Å; L25-Y28 PolarHBondContact O-N 3.21Å; Y28-A31 PolarHBondContact O-N 3.18Å; Y28-R32 WeakPolarHBondContact O-CB 3.34Å; Y28-R32 PolarHBondContact O-N 3.37Å; Y28-L55 HydrophobicContact CD1-CD2 4.17Å; Y28-L55 HydrophobicContact CD2-CD2 3.52Å; Y28-L55 HydrophobicContact CE1-CD2 4.16Å; Y28-L55 HydrophobicContact CE2-CB 4.18Å; Y28-L55 HydrophobicContact CE2-CD2 3.51Å; Y28-L55 HydrophobicContact CE2-CG 4.48Å; Y28-L55 HydrophobicContact CG-CD2 3.86Å; Y28-L55 WeakPolarHBondContact O-CD2 3.36Å; Y28-A58 HydrophobicContact CE2-CB 4.45Å; Y28-N59 HydrophobicContact CE2-CB 4.46Å; Y28-F62 WeakPolarHBondContact OH-CD2 3.4Å
29	V	94.6	Very high	93.9	Very high	46 Å²	46	82 Å²	82	28%	0.279	40%	0.396	S	S	.	.	H	α-helix	trans	-64.8	-45.3	178.3	168.2	0	0	0	0	110.9	L25 K26 A31 R32 D33	L25-V29 HydrophobicContact CD1-CG2 4.03Å; L25-V29 HydrophobicContact CG-CG2 4.26Å; L25-V29 WeakPolarHBondContact O-CB 3.36Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.45Å; L25-V29 PolarHBondContact O-N 2.98Å; K26-V29 PolarHBondContact O-N 3.31Å; V29-A31 PolarHBondContact O-N 3.3Å; V29-R32 WeakPolarHBondContact O-CB 3.49Å; V29-R32 PolarHBondContact O-N 3.2Å; V29-D33 VanDerWaalsContact O-CG 3.23Å; V29-D33 PolarHBondContact O-N 3.19Å
30	A	94.6	Very high	94.2	Very high	60 Å²	60	84.5 Å²	84.5	50%	0.496	41%	0.407	S	S	.	.	H	α-helix	trans	-60.2	-45.4	177.3	0	0	0	0	0	112	K26 V27 D33 A34	K26-A30 WeakPolarHBondContact O-CB 3.33Å; K26-A30 PolarHBondContact O-N 2.99Å; V27-A30 PolarHBondContact O-N 3.19Å; A30-D33 PolarHBondContact O-N 2.87Å; A30-A34 WeakPolarHBondContact O-CB 3.22Å; A30-A34 PolarHBondContact O-N 3Å
31	A	94.1	Very high	94.6	Very high	9 Å²	9	84.8 Å²	84.8	7%	0.074	41%	0.412	C	S	.	.	H	α-helix	trans	-65.2	-38.2	176.8	0	0	0	0	0	112.4	V27 Y28 V29 A34 C35 L55	V27-A31 WeakPolarHBondContact O-CB 3.48Å; V27-A31 PolarHBondContact O-N 2.97Å; Y28-A31 PolarHBondContact O-N 3.18Å; V29-A31 PolarHBondContact O-N 3.3Å; A31-A34 PolarHBondContact O-N 3.18Å; A31-C35 PolarHBondContact O-N 3.41Å; A31-C35 PolarHBondContact O-SG 2.86Å; A31-L55 HydrophobicContact CB-CD1 4.47Å; A31-L55 HydrophobicContact CB-CD2 3.86Å; A31-L55 HydrophobicContact CB-CG 4.22Å
32	R	96.2	Very high	94.8	Very high	84 Å²	84	78.9 Å²	78.9	32%	0.317	40%	0.402	S	S	.	.	H	α-helix	trans	-60.3	-48.6	173.3	176.1	-159	71.7	-172.7	0.4	111.4	Y28 V29 A34 C35 F36 L55 F62	Y28-R32 WeakPolarHBondContact O-CB 3.34Å; Y28-R32 PolarHBondContact O-N 3.37Å; V29-R32 WeakPolarHBondContact O-CB 3.49Å; V29-R32 PolarHBondContact O-N 3.2Å; R32-A34 VanDerWaalsContact C-N 3.3Å; R32-A34 PolarHBondContact O-N 3.21Å; R32-C35 WeakPolarHBondContact O-CB 3.25Å; R32-C35 PolarHBondContact O-N 3Å; R32-F36 HydrophobicContact CG-CD2 4.09Å; R32-F36 HydrophobicContact CG-CE2 3.83Å; R32-F36 HydrophobicContact CG-CZ 4.26Å; R32-F36 PolarHBondContact O-N 3.01Å; R32-L55 HydrophobicContact CB-CD1 4.32Å; R32-F62 HydrophobicContact CG-CE2 3.99Å; R32-F62 HydrophobicContact CG-CZ 4.29Å
33	D	96.6	Very high	95	Very high	74 Å²	74	76.8 Å²	76.8	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-66.4	-37.4	-176.2	-65.7	-15.1	0	0	0	110.7	V29 A30 F36 S37	V29-D33 VanDerWaalsContact O-CG 3.23Å; V29-D33 PolarHBondContact O-N 3.19Å; A30-D33 PolarHBondContact O-N 2.87Å; D33-F36 PolarHBondContact O-N 3.41Å; D33-S37 PolarHBondContact O-N 2.96Å
34	A	96.2	Very high	95.1	Very high	40 Å²	40	72 Å²	72	33%	0.331	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-45.9	170.7	0	0	0	0	0	112.4	A30 A31 R32 F36 S37 K38 L51	A30-A34 WeakPolarHBondContact O-CB 3.22Å; A30-A34 PolarHBondContact O-N 3Å; A31-A34 PolarHBondContact O-N 3.18Å; R32-A34 VanDerWaalsContact C-N 3.3Å; R32-A34 PolarHBondContact O-N 3.21Å; A34-F36 VanDerWaalsContact C-N 3.33Å; A34-F36 PolarHBondContact O-N 3.16Å; A34-S37 PolarHBondContact O-N 2.83Å; A34-K38 PolarHBondContact O-N 2.93Å; A34-L51 HydrophobicContact CB-CD1 4.28Å
35	C	96.3	Very high	95.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-57.3	-44.4	174.2	-78.4	0	0	0	0	112.2	A31 R32 R39 L51 L55 L65 Y68	A31-C35 PolarHBondContact O-N 3.41Å; A31-C35 PolarHBondContact O-SG 2.86Å; R32-C35 WeakPolarHBondContact O-CB 3.25Å; R32-C35 PolarHBondContact O-N 3Å; C35-R39 WeakPolarHBondContact O-CB 3.33Å; C35-R39 PolarHBondContact O-N 3.32Å; C35-L51 WeakPolarHBondContact SG-CB 3.39Å; C35-L55 HydrophobicContact CB-CD1 4.42Å; C35-L65 HydrophobicContact CB-CD2 4.29Å; C35-Y68 HydrophobicContact CB-CE1 4.45Å; C35-Y68 WeakPolarHBondContact O-CE1 3.23Å
36	F	96.9	Very high	95.1	Very high	77 Å²	77	67.8 Å²	67.8	34%	0.338	36%	0.359	S	S	.	.	H	α-helix	trans	-70.7	-35.9	-179.2	-72.4	-17.6	0	0	0	113.1	R32 D33 A34 K40 F62 T64 L65	R32-F36 HydrophobicContact CG-CD2 4.09Å; R32-F36 HydrophobicContact CG-CE2 3.83Å; R32-F36 HydrophobicContact CG-CZ 4.26Å; R32-F36 PolarHBondContact O-N 3.01Å; D33-F36 PolarHBondContact O-N 3.41Å; A34-F36 VanDerWaalsContact C-N 3.33Å; A34-F36 PolarHBondContact O-N 3.16Å; F36-K40 VanDerWaalsContact O-CB 3.3Å; F36-K40 WeakPolarHBondContact O-CB 3.42Å; F36-K40 PolarHBondContact O-N 2.65Å; F36-F62 HydrophobicContact CE1-CZ 4.42Å; F36-F62 HydrophobicContact CE2-CZ 4.39Å; F36-F62 HydrophobicContact CZ-CE1 4.27Å; F36-F62 AromaticContact CZ-CZ 3.67Å; F36-F62 HydrophobicContact CZ-CZ 3.67Å; F36-T64 HydrophobicContact CE1-CG2 3.88Å; F36-T64 HydrophobicContact CZ-CG2 4.34Å; F36-L65 HydrophobicContact CE1-CD2 4.25Å
37	S	97.5	Very high	95.1	Very high	63 Å²	63	65.3 Å²	65.3	44%	0.441	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-53.3	171.9	-161.7	0	0	0	0	110.6	D33 A34 R39 K40 D41	D33-S37 PolarHBondContact O-N 2.96Å; A34-S37 PolarHBondContact O-N 2.83Å; S37-R39 VanDerWaalsContact C-N 3.31Å; S37-R39 PolarHBondContact O-N 2.8Å; S37-K40 WeakPolarHBondContact O-CB 3.28Å; S37-K40 PolarHBondContact O-N 2.83Å; S37-D41 WeakPolarHBondContact O-CB 3.5Å; S37-D41 PolarHBondContact O-N 2.87Å; S37-D41 VanDerWaalsContact O-OD2 3.09Å; S37-D41 PolarHBondContact OG-OD2 3.06Å
38	K	97.1	Very high	95.3	Very high	33 Å²	33	61.6 Å²	61.6	14%	0.143	33%	0.327	C	S	.	.	H	α-helix	trans	-55.3	-44.6	178.8	-81.3	-175.8	168.6	-91.3	0	112.3	A34 D41 G42 V43 D45 E47 A48 L51 Y68	A34-K38 PolarHBondContact O-N 2.93Å; K38-D41 CarbonylContact O-C 3.59Å; K38-D41 PolarHBondContact O-N 2.62Å; K38-G42 PolarHBondContact O-N 3.06Å; K38-V43 HydrophobicContact CB-CB 4.08Å; K38-V43 HydrophobicContact CD-CG1 4.45Å; K38-V43 HydrophobicContact CG-CB 4.31Å; K38-V43 HydrophobicContact CG-CG1 4.38Å; K38-V43 WeakPolarHBondContact O-CB 3.36Å; K38-V43 PolarHBondContact O-N 3.39Å; K38-D45 IonicContact NZ-OD1 3.63Å; K38-D45 PolarHBondContact NZ-OD1 3.34Å; K38-D45 IonicContact NZ-OD2 3.09Å; K38-D45 PolarHBondContact NZ-OD2 3.02Å; K38-E47 VanDerWaalsContact CE-CD 3.49Å; K38-E47 VanDerWaalsContact CE-OE2 3.25Å; K38-E47 WeakPolarHBondContact CE-OE2 3.25Å; K38-E47 IonicContact NZ-OE2 3.69Å; K38-E47 PolarHBondContact NZ-OE2 3.39Å; K38-A48 HydrophobicContact CD-CB 4.23Å; K38-L51 HydrophobicContact CD-CD1 3.98Å; K38-Y68 VanDerWaalsContact CB-OH 3.29Å; K38-Y68 WeakPolarHBondContact CB-OH 3.35Å
39	R	97.3	Very high	95.4	Very high	69 Å²	69	59.9 Å²	59.9	26%	0.26	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-43.9	176.8	-171.5	177.4	-172.2	-153.3	-5.8	112.4	C35 S37 D41 G42 T64 Y68 E71	C35-R39 WeakPolarHBondContact O-CB 3.33Å; C35-R39 PolarHBondContact O-N 3.32Å; S37-R39 VanDerWaalsContact C-N 3.31Å; S37-R39 PolarHBondContact O-N 2.8Å; R39-D41 PolarHBondContact O-N 3.1Å; R39-G42 PolarHBondContact O-N 3.22Å; R39-T64 VanDerWaalsContact NH1-CG2 3.32Å; R39-Y68 HydrophobicContact CB-CD1 4.08Å; R39-Y68 HydrophobicContact CB-CD2 3.76Å; R39-Y68 HydrophobicContact CB-CE1 3.86Å; R39-Y68 HydrophobicContact CB-CE2 3.54Å; R39-Y68 HydrophobicContact CB-CG 4.04Å; R39-Y68 HydrophobicContact CG-CD1 4.47Å; R39-Y68 HydrophobicContact CG-CD2 3.45Å; R39-Y68 VanDerWaalsContact CG-CD2 3.45Å; R39-Y68 HydrophobicContact CG-CE2 3.63Å; R39-Y68 HydrophobicContact CG-CG 3.93Å; R39-Y68 PolarHBondContact N-OH 3.35Å; R39-E71 IonicContact CZ-OE1 3.45Å; R39-E71 IonicContact CZ-OE2 3.54Å; R39-E71 IonicContact NE-OE1 3.27Å; R39-E71 IonicContact NE-OE2 3.59Å; R39-E71 PolarHBondContact NE-OE2 2.77Å; R39-E71 IonicContact NH2-OE1 3.75Å; R39-E71 PolarHBondContact NH2-OE1 2.93Å; R39-E71 IonicContact NH2-OE2 3.9Å; R39-E71 PolarHBondContact NH2-OE2 2.92Å
40	K	96.9	Very high	95.4	Very high	180 Å²	180	64 Å²	64	78%	0.783	34%	0.338	S	S	*	.	H	α-helix	trans	-61.9	-36.9	177.9	-177.1	-174.6	175.5	-170.6	0	111.5	F36 S37 G42	F36-K40 VanDerWaalsContact O-CB 3.3Å; F36-K40 WeakPolarHBondContact O-CB 3.42Å; F36-K40 PolarHBondContact O-N 2.65Å; S37-K40 WeakPolarHBondContact O-CB 3.28Å; S37-K40 PolarHBondContact O-N 2.83Å; K40-G42 PolarHBondContact O-N 3Å
41	D	96.9	Very high	95.4	Very high	107 Å²	107	62.5 Å²	62.5	57%	0.572	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	2.6	-179.5	-58.1	-29.5	0	0	0	112.7	S37 K38 R39 V43	S37-D41 WeakPolarHBondContact O-CB 3.5Å; S37-D41 PolarHBondContact O-N 2.87Å; S37-D41 VanDerWaalsContact O-OD2 3.09Å; S37-D41 PolarHBondContact OG-OD2 3.06Å; K38-D41 CarbonylContact O-C 3.59Å; K38-D41 PolarHBondContact O-N 2.62Å; R39-D41 PolarHBondContact O-N 3.1Å; D41-V43 VanDerWaalsContact C-N 3.35Å; D41-V43 HydrophobicContact CB-CG2 4.16Å
42	G	95.4	Very high	95.6	Very high	41 Å²	41	62.1 Å²	62.1	42%	0.423	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	24.6	177.9	0	0	0	0	0	114.2	K38 R39 K40 F44	K38-G42 PolarHBondContact O-N 3.06Å; R39-G42 PolarHBondContact O-N 3.22Å; K40-G42 PolarHBondContact O-N 3Å; G42-F44 WeakPolarHBondContact O-CD2 3.34Å; G42-F44 WeakPolarHBondContact O-CE2 3.45Å
43	V	96	Very high	95.6	Very high	47 Å²	47	62.1 Å²	62.1	29%	0.285	32%	0.322	S	S	.	.			trans	-86.1	120.6	-178.7	-178.8	0	0	0	0	110	K38 D41 D45 Y68	K38-V43 HydrophobicContact CB-CB 4.08Å; K38-V43 HydrophobicContact CD-CG1 4.45Å; K38-V43 HydrophobicContact CG-CB 4.31Å; K38-V43 HydrophobicContact CG-CG1 4.38Å; K38-V43 WeakPolarHBondContact O-CB 3.36Å; K38-V43 PolarHBondContact O-N 3.39Å; D41-V43 VanDerWaalsContact C-N 3.35Å; D41-V43 HydrophobicContact CB-CG2 4.16Å; V43-D45 HydrophobicContact CG1-CB 4.34Å; V43-D45 WeakPolarHBondContact CG1-OD2 3.35Å; V43-Y68 PolarHBondContact O-OH 2.7Å
44	F	94.9	Very high	95.5	Very high	59 Å²	59	63.4 Å²	63.4	26%	0.259	33%	0.325	S	S	.	.			trans	-126.6	65.4	-176.4	-56.5	-57.4	0	0	0	111.4	G42 Y68 E71 I72 H75	G42-F44 WeakPolarHBondContact O-CD2 3.34Å; G42-F44 WeakPolarHBondContact O-CE2 3.45Å; F44-Y68 AromaticContact CD1-CE2 3.86Å; F44-Y68 HydrophobicContact CD1-CE2 3.86Å; F44-Y68 HydrophobicContact CE1-CD2 4.37Å; F44-Y68 AromaticContact CE1-CE2 3.9Å; F44-Y68 HydrophobicContact CE1-CE2 3.9Å; F44-E71 HydrophobicContact CD1-CB 4.22Å; F44-E71 HydrophobicContact CE1-CB 3.82Å; F44-I72 HydrophobicContact CB-CG1 4.41Å; F44-I72 HydrophobicContact CB-CG2 4.43Å; F44-I72 HydrophobicContact CD1-CG1 4.01Å; F44-H75 HydrophobicContact CB-CB 3.75Å; F44-H75 HydrophobicContact CD2-CB 4.24Å; F44-H75 HydrophobicContact CG-CB 4.14Å; F44-H75 PolarHBondContact O-CD2 2.82Å
45	D	91.6	Very high	95.4	Very high	52 Å²	52	61.5 Å²	61.5	28%	0.278	31%	0.31	S	S	.	.	S	Bend	trans	-117	173.1	-172.4	60.9	12.3	0	0	0	113.6	K38 V43 E47 A48 L49	K38-D45 IonicContact NZ-OD1 3.63Å; K38-D45 PolarHBondContact NZ-OD1 3.34Å; K38-D45 IonicContact NZ-OD2 3.09Å; K38-D45 PolarHBondContact NZ-OD2 3.02Å; V43-D45 HydrophobicContact CG1-CB 4.34Å; V43-D45 WeakPolarHBondContact CG1-OD2 3.35Å; D45-E47 PolarHBondContact O-N 2.79Å; D45-E47 PolarHBondContact OD1-N 3.44Å; D45-A48 WeakPolarHBondContact O-CB 3.3Å; D45-A48 PolarHBondContact O-N 3.03Å; D45-A48 VanDerWaalsContact OD1-CB 3.26Å; D45-A48 WeakPolarHBondContact OD1-CB 3.32Å; D45-A48 PolarHBondContact OD1-N 2.9Å; D45-L49 PolarHBondContact O-N 3.29Å
46	D	90.4	Very high	95.5	Very high	94 Å²	94	61.5 Å²	61.5	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-30.2	177.2	-69	-31.2	0	0	0	112.4	L49 Q50	D46-L49 WeakPolarHBondContact O-CB 3.46Å; D46-L49 PolarHBondContact O-N 2.89Å; D46-Q50 WeakPolarHBondContact O-CG 3.48Å; D46-Q50 PolarHBondContact O-N 3.25Å
47	E	93.6	Very high	95.4	Very high	105 Å²	105	60.2 Å²	60.2	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-65.6	-42.5	175.7	-169.4	-171.7	177.7	0	0	111	K38 D45 L49 Q50 L51	K38-E47 VanDerWaalsContact CE-CD 3.49Å; K38-E47 VanDerWaalsContact CE-OE2 3.25Å; K38-E47 WeakPolarHBondContact CE-OE2 3.25Å; K38-E47 IonicContact NZ-OE2 3.69Å; K38-E47 PolarHBondContact NZ-OE2 3.39Å; D45-E47 PolarHBondContact O-N 2.79Å; D45-E47 PolarHBondContact OD1-N 3.44Å; E47-L49 VanDerWaalsContact C-N 3.29Å; E47-L49 PolarHBondContact O-N 2.84Å; E47-Q50 PolarHBondContact O-N 2.59Å; E47-Q50 VanDerWaalsContact O-N 3.14Å; E47-L51 HydrophobicContact CG-CD1 4.43Å; E47-L51 WeakPolarHBondContact O-CG 3.4Å; E47-L51 PolarHBondContact O-N 2.89Å
48	A	95	Very high	95.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-36.1	173.8	0	0	0	0	0	112	K38 D45 T52 Y68 I72	K38-A48 HydrophobicContact CD-CB 4.23Å; D45-A48 WeakPolarHBondContact O-CB 3.3Å; D45-A48 PolarHBondContact O-N 3.03Å; D45-A48 VanDerWaalsContact OD1-CB 3.26Å; D45-A48 WeakPolarHBondContact OD1-CB 3.32Å; D45-A48 PolarHBondContact OD1-N 2.9Å; A48-T52 WeakPolarHBondContact O-CB 3.03Å; A48-T52 WeakPolarHBondContact O-CG2 3.19Å; A48-T52 PolarHBondContact O-N 3.07Å; A48-T52 PolarHBondContact O-OG1 2.91Å; A48-Y68 HydrophobicContact CB-CE1 4.09Å; A48-Y68 WeakPolarHBondContact CB-OH 3.29Å; A48-I72 HydrophobicContact CB-CD1 3.55Å; A48-I72 HydrophobicContact CB-CG1 4.29Å
49	L	94.9	Very high	95	Very high	17 Å²	17	62 Å²	62	9%	0.089	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-43.1	170.3	-73.5	176.6	0	0	0	111.8	D45 D46 E47 T52 Q53 R69 I72 L73 L76	D45-L49 PolarHBondContact O-N 3.29Å; D46-L49 WeakPolarHBondContact O-CB 3.46Å; D46-L49 PolarHBondContact O-N 2.89Å; E47-L49 VanDerWaalsContact C-N 3.29Å; E47-L49 PolarHBondContact O-N 2.84Å; L49-T52 PolarHBondContact O-OG1 3.12Å; L49-T52 VanDerWaalsContact O-OG1 3.11Å; L49-Q53 VanDerWaalsContact O-CB 3.23Å; L49-Q53 WeakPolarHBondContact O-CB 3.5Å; L49-Q53 PolarHBondContact O-N 3.32Å; L49-R69 HydrophobicContact CD2-CG 4.4Å; L49-R69 PolarHBondContact O-NH1 3.35Å; L49-I72 HydrophobicContact CD1-CG2 4.07Å; L49-I72 HydrophobicContact CD2-CB 4.02Å; L49-I72 HydrophobicContact CD2-CD1 4.11Å; L49-I72 HydrophobicContact CD2-CG2 3.88Å; L49-I72 HydrophobicContact CG-CB 4.31Å; L49-I72 HydrophobicContact CG-CD1 4.39Å; L49-I72 HydrophobicContact CG-CG2 3.62Å; L49-L73 HydrophobicContact CD1-CD2 4.35Å; L49-L73 HydrophobicContact CD2-CD2 4.37Å; L49-L73 HydrophobicContact CD2-CG 4.34Å; L49-L76 HydrophobicContact CD1-CD1 3.65Å
50	Q	94.9	Very high	95	Very high	134 Å²	134	58.8 Å²	58.8	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-64.5	-43.2	178.3	-71.2	175.9	10.2	0	0	112.2	D46 E47 Q53 Q54	D46-Q50 WeakPolarHBondContact O-CG 3.48Å; D46-Q50 PolarHBondContact O-N 3.25Å; E47-Q50 PolarHBondContact O-N 2.59Å; E47-Q50 VanDerWaalsContact O-N 3.14Å; Q50-Q53 WeakPolarHBondContact O-CB 3.25Å; Q50-Q53 PolarHBondContact O-N 2.88Å; Q50-Q54 PolarHBondContact O-N 2.81Å
51	L	95.3	Very high	95	Very high	28 Å²	28	53.9 Å²	53.9	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-45.5	178.7	-71.3	169.8	0	0	0	112	A34 C35 K38 E47 Q53 Q54 L55	A34-L51 HydrophobicContact CB-CD1 4.28Å; C35-L51 WeakPolarHBondContact SG-CB 3.39Å; K38-L51 HydrophobicContact CD-CD1 3.98Å; E47-L51 HydrophobicContact CG-CD1 4.43Å; E47-L51 WeakPolarHBondContact O-CG 3.4Å; E47-L51 PolarHBondContact O-N 2.89Å; L51-Q53 VanDerWaalsContact C-N 3.34Å; L51-Q53 PolarHBondContact O-N 3.42Å; L51-Q54 PolarHBondContact O-N 3.41Å; L51-L55 WeakPolarHBondContact O-CG 3.42Å; L51-L55 PolarHBondContact O-N 3.36Å
52	T	96.9	Very high	95	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-36.2	176.6	50.1	0	0	0	0	111.7	A48 L49 L55 L56 L65 Y68 R69	A48-T52 WeakPolarHBondContact O-CB 3.03Å; A48-T52 WeakPolarHBondContact O-CG2 3.19Å; A48-T52 PolarHBondContact O-N 3.07Å; A48-T52 PolarHBondContact O-OG1 2.91Å; L49-T52 PolarHBondContact O-OG1 3.12Å; L49-T52 VanDerWaalsContact O-OG1 3.11Å; T52-L55 PolarHBondContact O-N 2.8Å; T52-L56 VanDerWaalsContact O-CB 3.32Å; T52-L56 WeakPolarHBondContact O-CB 3.5Å; T52-L56 WeakPolarHBondContact O-CG 3.25Å; T52-L56 PolarHBondContact O-N 3.08Å; T52-L65 HydrophobicContact CG2-CB 4.42Å; T52-L65 HydrophobicContact CG2-CD2 4.31Å; T52-Y68 HydrophobicContact CG2-CD1 3.67Å; T52-Y68 HydrophobicContact CG2-CE1 4.26Å; T52-R69 HydrophobicContact CG2-CG 4.24Å; T52-R69 VanDerWaalsContact OG1-CG 3.27Å; T52-R69 WeakPolarHBondContact OG1-CG 3.27Å; T52-R69 PolarHBondContact OG1-NH1 2.87Å
53	Q	96.6	Very high	95	Very high	85 Å²	85	51.6 Å²	51.6	40%	0.397	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-43.7	174.3	168.2	170.9	-22.1	0	0	111.7	L49 Q50 L51 L55 L56 S57 F95	L49-Q53 VanDerWaalsContact O-CB 3.23Å; L49-Q53 WeakPolarHBondContact O-CB 3.5Å; L49-Q53 PolarHBondContact O-N 3.32Å; Q50-Q53 WeakPolarHBondContact O-CB 3.25Å; Q50-Q53 PolarHBondContact O-N 2.88Å; L51-Q53 VanDerWaalsContact C-N 3.34Å; L51-Q53 PolarHBondContact O-N 3.42Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-L55 PolarHBondContact O-N 3.26Å; Q53-L56 PolarHBondContact O-N 3.27Å; Q53-S57 VanDerWaalsContact O-CB 3.28Å; Q53-S57 WeakPolarHBondContact O-CB 3.43Å; Q53-S57 PolarHBondContact O-N 3.34Å; Q53-S57 PolarHBondContact O-OG 3.02Å; Q53-F95 HydrophobicContact CB-CE1 4.47Å; Q53-F95 HydrophobicContact CB-CE2 4.2Å; Q53-F95 HydrophobicContact CB-CZ 4.16Å; Q53-F95 HydrophobicContact CG-CD2 3.72Å; Q53-F95 HydrophobicContact CG-CE2 3.63Å; Q53-F95 HydrophobicContact CG-CG 4.31Å; Q53-F95 HydrophobicContact CG-CZ 4.1Å
54	Q	94	Very high	95.1	Very high	100 Å²	100	51.8 Å²	51.8	47%	0.467	28%	0.282	S	S	.	.	H	α-helix	trans	-57.9	-45.3	177.1	-178.4	-174.8	-4.1	0	0	111.6	Q50 L51	Q50-Q54 PolarHBondContact O-N 2.81Å; L51-Q54 PolarHBondContact O-N 3.41Å
55	L	95.9	Very high	95.2	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-70.8	-44.1	-177.8	-66.7	169.4	0	0	0	112.3	Y28 A31 R32 C35 L51 T52 Q53 A58 N59 L65	Y28-L55 HydrophobicContact CD1-CD2 4.17Å; Y28-L55 HydrophobicContact CD2-CD2 3.52Å; Y28-L55 HydrophobicContact CE1-CD2 4.16Å; Y28-L55 HydrophobicContact CE2-CB 4.18Å; Y28-L55 HydrophobicContact CE2-CD2 3.51Å; Y28-L55 HydrophobicContact CE2-CG 4.48Å; Y28-L55 HydrophobicContact CG-CD2 3.86Å; Y28-L55 WeakPolarHBondContact O-CD2 3.36Å; A31-L55 HydrophobicContact CB-CD1 4.47Å; A31-L55 HydrophobicContact CB-CD2 3.86Å; A31-L55 HydrophobicContact CB-CG 4.22Å; R32-L55 HydrophobicContact CB-CD1 4.32Å; C35-L55 HydrophobicContact CB-CD1 4.42Å; L51-L55 WeakPolarHBondContact O-CG 3.42Å; L51-L55 PolarHBondContact O-N 3.36Å; T52-L55 PolarHBondContact O-N 2.8Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-L55 PolarHBondContact O-N 3.26Å; L55-A58 PolarHBondContact O-N 3.34Å; L55-N59 PolarHBondContact O-N 3.34Å; L55-L65 HydrophobicContact CB-CD1 3.42Å; L55-L65 VanDerWaalsContact CB-CD1 3.42Å; L55-L65 HydrophobicContact CD1-CD1 3.58Å; L55-L65 HydrophobicContact CD1-CD2 4.31Å; L55-L65 HydrophobicContact CG-CD1 4.14Å
56	L	97.4	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-75	-28.4	-177.3	-75.1	167.5	0	0	0	112.7	T52 Q53 A58 N59 P60 F62 L65 W66 R69 F95	T52-L56 VanDerWaalsContact O-CB 3.32Å; T52-L56 WeakPolarHBondContact O-CB 3.5Å; T52-L56 WeakPolarHBondContact O-CG 3.25Å; T52-L56 PolarHBondContact O-N 3.08Å; Q53-L56 PolarHBondContact O-N 3.27Å; L56-A58 PolarHBondContact O-N 3.25Å; L56-N59 CarbonylContact O-C 3.29Å; L56-N59 PolarHBondContact O-N 3.14Å; L56-P60 WeakPolarHBondContact O-CA 3.4Å; L56-P60 WeakPolarHBondContact O-CD 3.39Å; L56-F62 HydrophobicContact CD2-CB 4.27Å; L56-L65 HydrophobicContact CD1-CB 3.86Å; L56-L65 HydrophobicContact CD2-CB 4.05Å; L56-L65 HydrophobicContact CD2-CD1 4.42Å; L56-L65 HydrophobicContact CG-CB 3.92Å; L56-L65 HydrophobicContact CG-CD1 4.13Å; L56-W66 HydrophobicContact CB-CH2 4.35Å; L56-W66 HydrophobicContact CB-CZ2 4.2Å; L56-W66 HydrophobicContact CD1-CD2 3.72Å; L56-W66 HydrophobicContact CD1-CE3 3.69Å; L56-W66 HydrophobicContact CD1-CG 4.4Å; L56-W66 HydrophobicContact CD1-CH2 3.89Å; L56-W66 HydrophobicContact CD1-CZ2 3.94Å; L56-W66 HydrophobicContact CD1-CZ3 3.78Å; L56-W66 HydrophobicContact CD2-CD2 4.11Å; L56-W66 HydrophobicContact CD2-CG 4.37Å; L56-W66 HydrophobicContact CD2-CZ2 3.88Å; L56-W66 HydrophobicContact CG-CZ2 4.23Å; L56-R69 HydrophobicContact CD1-CG 4.36Å; L56-F95 HydrophobicContact CB-CE1 4.49Å; L56-F95 HydrophobicContact CB-CZ 3.75Å
57	S	94.7	Very high	95.9	Very high	50 Å²	50	45.1 Å²	45.1	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-59.6	-29.8	170	-61.5	0	0	0	0	112.3	Q53 F95 V102	Q53-S57 VanDerWaalsContact O-CB 3.28Å; Q53-S57 WeakPolarHBondContact O-CB 3.43Å; Q53-S57 PolarHBondContact O-N 3.34Å; Q53-S57 PolarHBondContact O-OG 3.02Å; S57-F95 WeakPolarHBondContact OG-CE2 3.17Å; S57-V102 WeakPolarHBondContact O-CG2 3.44Å
58	A	91.9	Very high	96.1	Very high	69 Å²	69	40.1 Å²	40.1	57%	0.57	23%	0.226	S	C	*	.	H	α-helix	trans	-92.4	-35.6	177	0	0	0	0	0	112.7	Y28 L55 L56	Y28-A58 HydrophobicContact CE2-CB 4.45Å; L55-A58 PolarHBondContact O-N 3.34Å; L56-A58 PolarHBondContact O-N 3.25Å
59	N	94.5	Very high	96.3	Very high	63 Å²	63	40.3 Å²	40.3	34%	0.337	23%	0.226	S	C	.	.			trans	-141.2	86.4	-178.6	-180	19.3	0	0	0	110.6	Y28 L55 L56 D61 F62	Y28-N59 HydrophobicContact CE2-CB 4.46Å; L55-N59 PolarHBondContact O-N 3.34Å; L56-N59 CarbonylContact O-C 3.29Å; L56-N59 PolarHBondContact O-N 3.14Å; N59-D61 PolarHBondContact O-N 2.69Å; N59-D61 VanDerWaalsContact O-N 3.15Å; N59-D61 PolarHBondContact OD1-N 2.98Å; N59-F62 PolarHBondContact O-N 3.48Å
60	P	96.8	Very high	96.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.019	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-9	-179.3	27.6	-35.3	0	0	0	113.4	L56 F62 W66 C99 V102 N103 S106 S109	L56-P60 WeakPolarHBondContact O-CA 3.4Å; L56-P60 WeakPolarHBondContact O-CD 3.39Å; P60-F62 VanDerWaalsContact C-N 3.28Å; P60-F62 PolarHBondContact O-N 2.88Å; P60-W66 HydrophobicContact CB-CZ2 4.42Å; P60-W66 PolarHBondContact O-NE1 3.37Å; P60-C99 HydrophobicContact CB-CB 4.04Å; P60-V102 HydrophobicContact CG-CG1 4.28Å; P60-N103 HydrophobicContact CG-CB 3.79Å; P60-S106 PolarHBondContact O-OG 2.86Å; P60-S109 WeakPolarHBondContact CB-OG 3.41Å
61	D	96.7	Very high	96.5	Very high	77 Å²	77	38.8 Å²	38.8	41%	0.412	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	5	179.7	-62.4	-43.3	0	0	0	113.3	N59 A63 N103 S106	N59-D61 PolarHBondContact O-N 2.69Å; N59-D61 VanDerWaalsContact O-N 3.15Å; N59-D61 PolarHBondContact OD1-N 2.98Å; D61-A63 VanDerWaalsContact C-N 3.32Å; D61-A63 PolarHBondContact O-N 3.09Å; D61-N103 PolarHBondContact OD1-ND2 3.18Å; D61-N103 PolarHBondContact OD2-ND2 3.22Å; D61-S106 WeakPolarHBondContact OD1-CA 3.32Å; D61-S106 WeakPolarHBondContact OD1-CB 3.3Å; D61-S106 PolarHBondContact OD1-OG 2.57Å
62	F	96.9	Very high	96.6	Very high	42 Å²	42	37.5 Å²	37.5	18%	0.184	21%	0.21	C	C	.	.			trans	-79.1	80.1	174.8	-161.7	-2.3	0	0	0	111.7	Y28 R32 F36 L56 N59 P60 T64 L65	Y28-F62 WeakPolarHBondContact OH-CD2 3.4Å; R32-F62 HydrophobicContact CG-CE2 3.99Å; R32-F62 HydrophobicContact CG-CZ 4.29Å; F36-F62 HydrophobicContact CE1-CZ 4.42Å; F36-F62 HydrophobicContact CE2-CZ 4.39Å; F36-F62 HydrophobicContact CZ-CE1 4.27Å; F36-F62 AromaticContact CZ-CZ 3.67Å; F36-F62 HydrophobicContact CZ-CZ 3.67Å; L56-F62 HydrophobicContact CD2-CB 4.27Å; N59-F62 PolarHBondContact O-N 3.48Å; P60-F62 VanDerWaalsContact C-N 3.28Å; P60-F62 PolarHBondContact O-N 2.88Å; F62-T64 VanDerWaalsContact C-N 3.3Å; F62-T64 PolarHBondContact O-N 2.92Å; F62-T64 VanDerWaalsContact O-N 3.14Å; F62-L65 HydrophobicContact CB-CD1 4.13Å; F62-L65 HydrophobicContact CB-CG 4.29Å; F62-L65 HydrophobicContact CD1-CG 4.35Å; F62-L65 HydrophobicContact CD2-CD1 3.32Å; F62-L65 HydrophobicContact CD2-CD2 4.41Å; F62-L65 HydrophobicContact CD2-CG 3.61Å; F62-L65 HydrophobicContact CE2-CD1 3.9Å; F62-L65 HydrophobicContact CE2-CD2 4.3Å; F62-L65 HydrophobicContact CE2-CG 3.97Å; F62-L65 HydrophobicContact CG-CD1 3.88Å; F62-L65 HydrophobicContact CG-CG 3.82Å; F62-L65 HydrophobicContact CZ-CG 4.49Å; F62-L65 PolarHBondContact O-N 2.77Å
63	A	96.7	Very high	96.6	Very high	57 Å²	57	37.6 Å²	37.6	47%	0.471	21%	0.21	S	C	.	.	H	α-helix	trans	-51.5	-39.9	-171.9	0	0	0	0	0	115.1	D61 L65 W66 N67	D61-A63 VanDerWaalsContact C-N 3.32Å; D61-A63 PolarHBondContact O-N 3.09Å; A63-L65 PolarHBondContact O-N 2.86Å; A63-W66 WeakPolarHBondContact O-CB 3.45Å; A63-W66 PolarHBondContact O-N 2.99Å; A63-W66 VanDerWaalsContact O-N 3.09Å; A63-N67 PolarHBondContact O-N 3.2Å; A63-N67 PolarHBondContact O-OD1 2.88Å
64	T	97.4	Very high	96.5	Very high	51 Å²	51	36.5 Å²	36.5	31%	0.313	21%	0.209	S	C	.	.	H	α-helix	trans	-59.1	-33.6	-179.9	-50.1	0	0	0	0	112.8	F36 R39 F62 N67 Y68	F36-T64 HydrophobicContact CE1-CG2 3.88Å; F36-T64 HydrophobicContact CZ-CG2 4.34Å; R39-T64 VanDerWaalsContact NH1-CG2 3.32Å; F62-T64 VanDerWaalsContact C-N 3.3Å; F62-T64 PolarHBondContact O-N 2.92Å; F62-T64 VanDerWaalsContact O-N 3.14Å; T64-N67 WeakPolarHBondContact O-CB 3.4Å; T64-N67 PolarHBondContact O-N 2.91Å; T64-Y68 PolarHBondContact O-N 3.06Å; T64-Y68 VanDerWaalsContact O-N 3.08Å
65	L	97.9	Very high	96.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-72.7	-33.5	178.9	-58.9	-176.5	0	0	0	111.6	C35 F36 T52 L55 L56 F62 A63 N67 Y68 R69	C35-L65 HydrophobicContact CB-CD2 4.29Å; F36-L65 HydrophobicContact CE1-CD2 4.25Å; T52-L65 HydrophobicContact CG2-CB 4.42Å; T52-L65 HydrophobicContact CG2-CD2 4.31Å; L55-L65 HydrophobicContact CB-CD1 3.42Å; L55-L65 VanDerWaalsContact CB-CD1 3.42Å; L55-L65 HydrophobicContact CD1-CD1 3.58Å; L55-L65 HydrophobicContact CD1-CD2 4.31Å; L55-L65 HydrophobicContact CG-CD1 4.14Å; L56-L65 HydrophobicContact CD1-CB 3.86Å; L56-L65 HydrophobicContact CD2-CB 4.05Å; L56-L65 HydrophobicContact CD2-CD1 4.42Å; L56-L65 HydrophobicContact CG-CB 3.92Å; L56-L65 HydrophobicContact CG-CD1 4.13Å; F62-L65 HydrophobicContact CB-CD1 4.13Å; F62-L65 HydrophobicContact CB-CG 4.29Å; F62-L65 HydrophobicContact CD1-CG 4.35Å; F62-L65 HydrophobicContact CD2-CD1 3.32Å; F62-L65 HydrophobicContact CD2-CD2 4.41Å; F62-L65 HydrophobicContact CD2-CG 3.61Å; F62-L65 HydrophobicContact CE2-CD1 3.9Å; F62-L65 HydrophobicContact CE2-CD2 4.3Å; F62-L65 HydrophobicContact CE2-CG 3.97Å; F62-L65 HydrophobicContact CG-CD1 3.88Å; F62-L65 HydrophobicContact CG-CG 3.82Å; F62-L65 HydrophobicContact CZ-CG 4.49Å; F62-L65 PolarHBondContact O-N 2.77Å; A63-L65 PolarHBondContact O-N 2.86Å; L65-N67 VanDerWaalsContact C-N 3.3Å; L65-N67 PolarHBondContact O-N 3.4Å; L65-Y68 PolarHBondContact O-N 2.74Å; L65-R69 WeakPolarHBondContact O-CG 3.04Å; L65-R69 PolarHBondContact O-N 2.8Å
66	W	98.3	Very high	96.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-38	170.7	-66.8	121.9	0	0	0	111.9	L56 P60 A63 R69 R70 F95 L96 C99 H112	L56-W66 HydrophobicContact CB-CH2 4.35Å; L56-W66 HydrophobicContact CB-CZ2 4.2Å; L56-W66 HydrophobicContact CD1-CD2 3.72Å; L56-W66 HydrophobicContact CD1-CE3 3.69Å; L56-W66 HydrophobicContact CD1-CG 4.4Å; L56-W66 HydrophobicContact CD1-CH2 3.89Å; L56-W66 HydrophobicContact CD1-CZ2 3.94Å; L56-W66 HydrophobicContact CD1-CZ3 3.78Å; L56-W66 HydrophobicContact CD2-CD2 4.11Å; L56-W66 HydrophobicContact CD2-CG 4.37Å; L56-W66 HydrophobicContact CD2-CZ2 3.88Å; L56-W66 HydrophobicContact CG-CZ2 4.23Å; P60-W66 HydrophobicContact CB-CZ2 4.42Å; P60-W66 PolarHBondContact O-NE1 3.37Å; A63-W66 WeakPolarHBondContact O-CB 3.45Å; A63-W66 PolarHBondContact O-N 2.99Å; A63-W66 VanDerWaalsContact O-N 3.09Å; W66-R69 PolarHBondContact O-N 3.28Å; W66-R70 WeakPolarHBondContact O-CG 3.48Å; W66-R70 PolarHBondContact O-N 2.96Å; W66-R70 PolarHBondContact O-NH1 3.38Å; W66-F95 HydrophobicContact CH2-CD1 4.42Å; W66-F95 AromaticContact CH2-CE1 3.59Å; W66-F95 HydrophobicContact CH2-CE1 3.59Å; W66-F95 HydrophobicContact CH2-CZ 4.03Å; W66-F95 HydrophobicContact CZ3-CD1 4.43Å; W66-F95 AromaticContact CZ3-CE1 3.71Å; W66-F95 HydrophobicContact CZ3-CE1 3.71Å; W66-L96 HydrophobicContact CH2-CD2 3.55Å; W66-L96 HydrophobicContact CH2-CG 4.43Å; W66-L96 HydrophobicContact CZ2-CD2 4.23Å; W66-L96 HydrophobicContact CZ3-CD2 3.8Å; W66-L96 HydrophobicContact CZ3-CG 4.48Å; W66-C99 HydrophobicContact CH2-CB 4.49Å; W66-C99 HydrophobicContact CZ2-CB 4.44Å; W66-H112 HydrophobicContact CD2-CB 4.09Å; W66-H112 HydrophobicContact CE3-CB 3.84Å; W66-H112 AromaticContact CE3-CD2 3.32Å; W66-H112 AromaticContact CE3-CG 3.46Å; W66-H112 VanDerWaalsContact CE3-CG 3.46Å; W66-H112 AromaticContact CE3-NE2 3.79Å; W66-H112 HydrophobicContact CG-CB 4.46Å; W66-H112 HydrophobicContact CZ3-CB 4.37Å; W66-H112 AromaticContact CZ3-CD2 3.39Å; W66-H112 WeakPolarHBondContact CZ3-CD2 3.46Å; W66-H112 AromaticContact CZ3-CG 3.97Å; W66-H112 AromaticContact CZ3-NE2 3.95Å
67	N	97.9	Very high	95.8	Very high	62 Å²	62	39.4 Å²	39.4	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-46.9	174.7	-58.6	-2.9	0	0	0	110.6	A63 T64 L65 R69 R70 E71	A63-N67 PolarHBondContact O-N 3.2Å; A63-N67 PolarHBondContact O-OD1 2.88Å; T64-N67 WeakPolarHBondContact O-CB 3.4Å; T64-N67 PolarHBondContact O-N 2.91Å; L65-N67 VanDerWaalsContact C-N 3.3Å; L65-N67 PolarHBondContact O-N 3.4Å; N67-R69 PolarHBondContact O-N 3.37Å; N67-R70 PolarHBondContact O-N 2.9Å; N67-R70 PolarHBondContact OD1-NH2 2.89Å; N67-E71 PolarHBondContact O-N 2.72Å; N67-E71 VanDerWaalsContact O-N 3.1Å
68	Y	98.1	Very high	95.5	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-41.3	178.1	-173.5	-151.8	0	0	0	112.1	C35 K38 R39 V43 F44 A48 T52 T64 L65 R70 E71 I72	C35-Y68 HydrophobicContact CB-CE1 4.45Å; C35-Y68 WeakPolarHBondContact O-CE1 3.23Å; K38-Y68 VanDerWaalsContact CB-OH 3.29Å; K38-Y68 WeakPolarHBondContact CB-OH 3.35Å; R39-Y68 HydrophobicContact CB-CD1 4.08Å; R39-Y68 HydrophobicContact CB-CD2 3.76Å; R39-Y68 HydrophobicContact CB-CE1 3.86Å; R39-Y68 HydrophobicContact CB-CE2 3.54Å; R39-Y68 HydrophobicContact CB-CG 4.04Å; R39-Y68 HydrophobicContact CG-CD1 4.47Å; R39-Y68 HydrophobicContact CG-CD2 3.45Å; R39-Y68 VanDerWaalsContact CG-CD2 3.45Å; R39-Y68 HydrophobicContact CG-CE2 3.63Å; R39-Y68 HydrophobicContact CG-CG 3.93Å; R39-Y68 PolarHBondContact N-OH 3.35Å; V43-Y68 PolarHBondContact O-OH 2.7Å; F44-Y68 AromaticContact CD1-CE2 3.86Å; F44-Y68 HydrophobicContact CD1-CE2 3.86Å; F44-Y68 HydrophobicContact CE1-CD2 4.37Å; F44-Y68 AromaticContact CE1-CE2 3.9Å; F44-Y68 HydrophobicContact CE1-CE2 3.9Å; A48-Y68 HydrophobicContact CB-CE1 4.09Å; A48-Y68 WeakPolarHBondContact CB-OH 3.29Å; T52-Y68 HydrophobicContact CG2-CD1 3.67Å; T52-Y68 HydrophobicContact CG2-CE1 4.26Å; T64-Y68 PolarHBondContact O-N 3.06Å; T64-Y68 VanDerWaalsContact O-N 3.08Å; L65-Y68 PolarHBondContact O-N 2.74Å; Y68-R70 VanDerWaalsContact C-N 3.3Å; Y68-R70 PolarHBondContact O-N 3.01Å; Y68-E71 WeakPolarHBondContact O-CB 3.34Å; Y68-E71 PolarHBondContact O-N 2.74Å; Y68-E71 VanDerWaalsContact O-N 3.14Å; Y68-I72 HydrophobicContact CD1-CD1 4.19Å; Y68-I72 HydrophobicContact CD2-CD1 4.03Å; Y68-I72 HydrophobicContact CD2-CG1 4Å; Y68-I72 HydrophobicContact CE1-CD1 4.07Å; Y68-I72 HydrophobicContact CE2-CD1 3.89Å; Y68-I72 HydrophobicContact CE2-CG1 3.76Å; Y68-I72 HydrophobicContact CG-CD1 4.17Å; Y68-I72 VanDerWaalsContact O-CG1 3.29Å; Y68-I72 WeakPolarHBondContact O-CG1 3.49Å; Y68-I72 PolarHBondContact O-N 2.7Å
69	R	97.9	Very high	95.4	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-57.2	-41.5	173.3	-74	-170.7	79.6	81.6	-4.7	112.6	L49 T52 L56 L65 W66 N67 I72 L73 E92	L49-R69 HydrophobicContact CD2-CG 4.4Å; L49-R69 PolarHBondContact O-NH1 3.35Å; T52-R69 HydrophobicContact CG2-CG 4.24Å; T52-R69 VanDerWaalsContact OG1-CG 3.27Å; T52-R69 WeakPolarHBondContact OG1-CG 3.27Å; T52-R69 PolarHBondContact OG1-NH1 2.87Å; L56-R69 HydrophobicContact CD1-CG 4.36Å; L65-R69 WeakPolarHBondContact O-CG 3.04Å; L65-R69 PolarHBondContact O-N 2.8Å; W66-R69 PolarHBondContact O-N 3.28Å; N67-R69 PolarHBondContact O-N 3.37Å; R69-I72 PolarHBondContact O-N 2.79Å; R69-L73 WeakPolarHBondContact O-CB 3.32Å; R69-L73 VanDerWaalsContact O-CG 3.26Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 3.3Å; R69-E92 IonicContact CZ-OE1 2.63Å; R69-E92 IonicContact CZ-OE2 3.33Å; R69-E92 IonicContact NE-OE1 3.47Å; R69-E92 PolarHBondContact NE-OE1 3.05Å; R69-E92 IonicContact NE-OE2 2.59Å; R69-E92 IonicContact NH2-OE1 2.93Å; R69-E92 PolarHBondContact NH2-OE1 3.04Å; R69-E92 IonicContact NH2-OE2 2.79Å; R69-E92 PolarHBondContact NH2-OE2 2.58Å
70	R	97.8	Very high	95.2	Very high	46 Å²	46	44 Å²	44	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-41.2	175.5	-70.6	-168.6	-65.7	-80.7	4.5	112.4	W66 N67 Y68 I72 L73 T74 H112 W115	W66-R70 WeakPolarHBondContact O-CG 3.48Å; W66-R70 PolarHBondContact O-N 2.96Å; W66-R70 PolarHBondContact O-NH1 3.38Å; N67-R70 PolarHBondContact O-N 2.9Å; N67-R70 PolarHBondContact OD1-NH2 2.89Å; Y68-R70 VanDerWaalsContact C-N 3.3Å; Y68-R70 PolarHBondContact O-N 3.01Å; R70-I72 VanDerWaalsContact C-N 3.31Å; R70-I72 PolarHBondContact O-N 2.81Å; R70-L73 PolarHBondContact O-N 3.17Å; R70-T74 WeakPolarHBondContact O-CB 3.46Å; R70-T74 PolarHBondContact O-N 3.22Å; R70-T74 PolarHBondContact O-OG1 3.13Å; R70-H112 WeakPolarHBondContact CG-CE1 3.16Å; R70-H112 WeakPolarHBondContact CG-ND1 3.27Å; R70-H112 PolarHBondContact NH1-ND1 3.44Å; R70-W115 HydrophobicContact CB-CH2 4.07Å; R70-W115 HydrophobicContact CB-CZ2 3.89Å; R70-W115 HydrophobicContact CB-CZ3 4.44Å; R70-W115 VanDerWaalsContact CD-CE2 3.41Å; R70-W115 HydrophobicContact CG-CD2 3.7Å; R70-W115 HydrophobicContact CG-CE3 3.74Å; R70-W115 HydrophobicContact CG-CG 4.36Å; R70-W115 HydrophobicContact CG-CH2 3.96Å; R70-W115 HydrophobicContact CG-CZ2 3.88Å; R70-W115 HydrophobicContact CG-CZ3 3.86Å
71	E	97.8	Very high	95	Very high	73 Å²	73	48.2 Å²	48.2	34%	0.341	26%	0.261	S	S	.	.	H	α-helix	trans	-59.2	-44.3	174.4	-67.8	162.9	-174.8	0	0	111.2	R39 F44 N67 Y68 H75	R39-E71 IonicContact CZ-OE1 3.45Å; R39-E71 IonicContact CZ-OE2 3.54Å; R39-E71 IonicContact NE-OE1 3.27Å; R39-E71 IonicContact NE-OE2 3.59Å; R39-E71 PolarHBondContact NE-OE2 2.77Å; R39-E71 IonicContact NH2-OE1 3.75Å; R39-E71 PolarHBondContact NH2-OE1 2.93Å; R39-E71 IonicContact NH2-OE2 3.9Å; R39-E71 PolarHBondContact NH2-OE2 2.92Å; F44-E71 HydrophobicContact CD1-CB 4.22Å; F44-E71 HydrophobicContact CE1-CB 3.82Å; N67-E71 PolarHBondContact O-N 2.72Å; N67-E71 VanDerWaalsContact O-N 3.1Å; Y68-E71 WeakPolarHBondContact O-CB 3.34Å; Y68-E71 PolarHBondContact O-N 2.74Å; Y68-E71 VanDerWaalsContact O-N 3.14Å; E71-H75 WeakPolarHBondContact O-CB 3.48Å; E71-H75 PolarHBondContact O-N 3.12Å
72	I	96.6	Very high	94.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-49.7	178	-56.9	157.9	0	0	0	111.1	F44 A48 L49 Y68 R69 R70 T74 H75 L76	F44-I72 HydrophobicContact CB-CG1 4.41Å; F44-I72 HydrophobicContact CB-CG2 4.43Å; F44-I72 HydrophobicContact CD1-CG1 4.01Å; A48-I72 HydrophobicContact CB-CD1 3.55Å; A48-I72 HydrophobicContact CB-CG1 4.29Å; L49-I72 HydrophobicContact CD1-CG2 4.07Å; L49-I72 HydrophobicContact CD2-CB 4.02Å; L49-I72 HydrophobicContact CD2-CD1 4.11Å; L49-I72 HydrophobicContact CD2-CG2 3.88Å; L49-I72 HydrophobicContact CG-CB 4.31Å; L49-I72 HydrophobicContact CG-CD1 4.39Å; L49-I72 HydrophobicContact CG-CG2 3.62Å; Y68-I72 HydrophobicContact CD1-CD1 4.19Å; Y68-I72 HydrophobicContact CD2-CD1 4.03Å; Y68-I72 HydrophobicContact CD2-CG1 4Å; Y68-I72 HydrophobicContact CE1-CD1 4.07Å; Y68-I72 HydrophobicContact CE2-CD1 3.89Å; Y68-I72 HydrophobicContact CE2-CG1 3.76Å; Y68-I72 HydrophobicContact CG-CD1 4.17Å; Y68-I72 VanDerWaalsContact O-CG1 3.29Å; Y68-I72 WeakPolarHBondContact O-CG1 3.49Å; Y68-I72 PolarHBondContact O-N 2.7Å; R69-I72 PolarHBondContact O-N 2.79Å; R70-I72 VanDerWaalsContact C-N 3.31Å; R70-I72 PolarHBondContact O-N 2.81Å; I72-T74 PolarHBondContact O-N 3.24Å; I72-H75 WeakPolarHBondContact O-CB 3.21Å; I72-H75 PolarHBondContact O-N 2.74Å; I72-H75 VanDerWaalsContact O-N 3.15Å; I72-L76 HydrophobicContact CG2-CD1 4.06Å; I72-L76 HydrophobicContact CG2-CG 4.36Å; I72-L76 WeakPolarHBondContact O-CG 3.3Å; I72-L76 PolarHBondContact O-N 3.48Å
73	L	96.3	Very high	94.6	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-43.5	-179.5	-70.1	168.7	0	0	0	111.6	L49 R69 R70 H75 L76 E77 I88 Y89 E92 W115	L49-L73 HydrophobicContact CD1-CD2 4.35Å; L49-L73 HydrophobicContact CD2-CD2 4.37Å; L49-L73 HydrophobicContact CD2-CG 4.34Å; R69-L73 WeakPolarHBondContact O-CB 3.32Å; R69-L73 VanDerWaalsContact O-CG 3.26Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 3.3Å; R70-L73 PolarHBondContact O-N 3.17Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.21Å; L73-L76 PolarHBondContact O-N 3.44Å; L73-E77 WeakPolarHBondContact O-CG 3.33Å; L73-E77 PolarHBondContact O-N 3.05Å; L73-I88 HydrophobicContact CD2-CG2 3.51Å; L73-Y89 HydrophobicContact CB-CE1 4.34Å; L73-Y89 HydrophobicContact CD1-CE1 4.16Å; L73-Y89 HydrophobicContact CD2-CE1 4.48Å; L73-E92 HydrophobicContact CD1-CG 3.98Å; L73-W115 HydrophobicContact CB-CH2 3.88Å; L73-W115 HydrophobicContact CB-CZ3 4.15Å; L73-W115 HydrophobicContact CD1-CH2 4.35Å; L73-W115 HydrophobicContact CD1-CZ3 3.78Å
74	T	95.5	Very high	94.4	Very high	62 Å²	62	54.7 Å²	54.7	38%	0.38	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-33.8	175.4	-66.9	0	0	0	0	112.6	R70 I72 E77	R70-T74 WeakPolarHBondContact O-CB 3.46Å; R70-T74 PolarHBondContact O-N 3.22Å; R70-T74 PolarHBondContact O-OG1 3.13Å; I72-T74 PolarHBondContact O-N 3.24Å; T74-E77 WeakPolarHBondContact CA-OE2 3.47Å
75	H	94.3	Very high	94.2	Very high	81 Å²	81	52.8 Å²	52.8	38%	0.375	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-47.2	171.1	-180	66	0	0	0	111.4	F44 E71 I72 L73 E77 T78	F44-H75 HydrophobicContact CB-CB 3.75Å; F44-H75 HydrophobicContact CD2-CB 4.24Å; F44-H75 HydrophobicContact CG-CB 4.14Å; F44-H75 PolarHBondContact O-CD2 2.82Å; E71-H75 WeakPolarHBondContact O-CB 3.48Å; E71-H75 PolarHBondContact O-N 3.12Å; I72-H75 WeakPolarHBondContact O-CB 3.21Å; I72-H75 PolarHBondContact O-N 2.74Å; I72-H75 VanDerWaalsContact O-N 3.15Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.21Å; H75-E77 VanDerWaalsContact C-N 3.29Å; H75-E77 PolarHBondContact O-N 3.36Å; H75-T78 PolarHBondContact O-N 3.39Å; H75-T78 PolarHBondContact O-OG1 3.4Å
76	L	87.9	Confident	94	Very high	15 Å²	15	53.3 Å²	53.3	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-35.3	180	-67.7	174.5	0	0	0	112.5	L49 I72 L73 T78 V79 K80 I88	L49-L76 HydrophobicContact CD1-CD1 3.65Å; I72-L76 HydrophobicContact CG2-CD1 4.06Å; I72-L76 HydrophobicContact CG2-CG 4.36Å; I72-L76 WeakPolarHBondContact O-CG 3.3Å; I72-L76 PolarHBondContact O-N 3.48Å; L73-L76 PolarHBondContact O-N 3.44Å; L76-T78 PolarHBondContact O-N 3.11Å; L76-V79 PolarHBondContact O-N 3.43Å; L76-V79 VanDerWaalsContact O-N 3.07Å; L76-K80 HydrophobicContact CB-CG 4.43Å; L76-K80 VanDerWaalsContact O-CB 3.26Å; L76-K80 WeakPolarHBondContact O-CB 3.42Å; L76-K80 WeakPolarHBondContact O-CG 3.17Å; L76-K80 PolarHBondContact O-N 2.75Å; L76-I88 HydrophobicContact CD1-CD1 4.46Å
77	E	89.4	Confident	93.9	Very high	66 Å²	66	59.9 Å²	59.9	31%	0.308	30%	0.303	S	S	.	.	H	α-helix	trans	-55	-31.9	172.3	-74.4	175.9	150.3	0	0	113.3	L73 T74 H75 V79 Y89	L73-E77 WeakPolarHBondContact O-CG 3.33Å; L73-E77 PolarHBondContact O-N 3.05Å; T74-E77 WeakPolarHBondContact CA-OE2 3.47Å; H75-E77 VanDerWaalsContact C-N 3.29Å; H75-E77 PolarHBondContact O-N 3.36Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-Y89 HydrophobicContact CG-CE2 4.01Å; E77-Y89 VanDerWaalsContact OE1-CE2 3.23Å; E77-Y89 WeakPolarHBondContact OE1-CE2 3.44Å; E77-Y89 PolarHBondContact OE1-OH 3.49Å
78	T	89.6	Confident	93.7	Very high	110 Å²	110	58.8 Å²	58.8	68%	0.675	30%	0.297	S	S	*	.	H	α-helix	trans	-79.6	-16.9	-179.3	67.4	0	0	0	0	113.7	H75 L76	H75-T78 PolarHBondContact O-N 3.39Å; H75-T78 PolarHBondContact O-OG1 3.4Å; L76-T78 PolarHBondContact O-N 3.11Å
79	V	89.9	Confident	93.5	Very high	97 Å²	97	58.9 Å²	58.9	59%	0.588	30%	0.297	S	S	*	.	H	α-helix	trans	-111.8	-22.7	-172.2	-170.3	0	0	0	0	111.8	L76 E77	L76-V79 PolarHBondContact O-N 3.43Å; L76-V79 VanDerWaalsContact O-N 3.07Å; E77-V79 VanDerWaalsContact C-N 3.33Å
80	K	88.9	Confident	93.5	Very high	72 Å²	72	62.5 Å²	62.5	31%	0.313	31%	0.314	S	S	.	.	S	Bend	trans	-100	149.3	-175.7	-63.3	-67.9	-178.6	-178.7	0	111.3	L76 E84 I88	L76-K80 HydrophobicContact CB-CG 4.43Å; L76-K80 VanDerWaalsContact O-CB 3.26Å; L76-K80 WeakPolarHBondContact O-CB 3.42Å; L76-K80 WeakPolarHBondContact O-CG 3.17Å; L76-K80 PolarHBondContact O-N 2.75Å; K80-E84 HydrophobicContact CB-CB 3.98Å; K80-E84 HydrophobicContact CD-CB 4.1Å; K80-E84 WeakPolarHBondContact CD-OE2 3.45Å; K80-E84 HydrophobicContact CG-CB 4.5Å; K80-E84 IonicContact NZ-OE1 3.32Å; K80-E84 IonicContact NZ-OE2 2.98Å; K80-I88 HydrophobicContact CD-CD1 4.5Å; K80-I88 HydrophobicContact CG-CD1 4Å
81	D	92.9	Very high	93.4	Very high	92 Å²	92	63.1 Å²	63.1	49%	0.492	33%	0.329	S	S	.	.			trans	-73.9	170.6	170.4	70	44.5	0	0	0	111.7	D83 E84 A85	D81-D83 VanDerWaalsContact C-N 3.3Å; D81-D83 PolarHBondContact O-N 3.08Å; D81-D83 WeakPolarHBondContact OD1-CA 3.45Å; D81-D83 PolarHBondContact OD1-N 3.27Å; D81-E84 PolarHBondContact O-N 2.66Å; D81-E84 WeakPolarHBondContact OD1-CG 3.45Å; D81-E84 PolarHBondContact OD1-N 3.28Å; D81-A85 VanDerWaalsContact O-CB 3.3Å; D81-A85 WeakPolarHBondContact O-CB 3.28Å; D81-A85 PolarHBondContact O-N 2.94Å
82	E	91.7	Very high	93.4	Very high	147 Å²	147	60 Å²	60	69%	0.687	31%	0.314	S	S	*	.	H	α-helix	trans	-62.2	-32.5	-176.7	-69.7	-174	176.1	0	0	113.8	Q86	E82-Q86 VanDerWaalsContact O-CB 3.27Å; E82-Q86 WeakPolarHBondContact O-CB 3.13Å; E82-Q86 PolarHBondContact O-N 3.2Å
83	D	94.3	Very high	93.4	Very high	89 Å²	89	60.2 Å²	60.2	48%	0.476	32%	0.316	S	S	.	.	H	α-helix	trans	-75.9	-37.7	179.6	-78.5	-33.1	0	0	0	111.3	D81 K87 R122	D81-D83 VanDerWaalsContact C-N 3.3Å; D81-D83 PolarHBondContact O-N 3.08Å; D81-D83 WeakPolarHBondContact OD1-CA 3.45Å; D81-D83 PolarHBondContact OD1-N 3.27Å; D83-K87 WeakPolarHBondContact O-CG 3.41Å; D83-K87 PolarHBondContact O-N 3.21Å; D83-R122 IonicContact OD1-CZ 3.55Å; D83-R122 IonicContact OD1-NH1 3.56Å; D83-R122 IonicContact OD1-NH2 2.68Å; D83-R122 PolarHBondContact OD1-NH2 2.9Å
84	E	93	Very high	93.4	Very high	75 Å²	75	62.7 Å²	62.7	35%	0.35	33%	0.333	S	S	.	.	H	α-helix	trans	-66.6	-45.5	171.6	-69.9	-172.3	131.5	0	0	111.4	K80 D81 Q86 K87 I88	K80-E84 HydrophobicContact CB-CB 3.98Å; K80-E84 HydrophobicContact CD-CB 4.1Å; K80-E84 WeakPolarHBondContact CD-OE2 3.45Å; K80-E84 HydrophobicContact CG-CB 4.5Å; K80-E84 IonicContact NZ-OE1 3.32Å; K80-E84 IonicContact NZ-OE2 2.98Å; D81-E84 PolarHBondContact O-N 2.66Å; D81-E84 WeakPolarHBondContact OD1-CG 3.45Å; D81-E84 PolarHBondContact OD1-N 3.28Å; E84-Q86 VanDerWaalsContact C-N 3.33Å; E84-Q86 PolarHBondContact O-N 3.38Å; E84-K87 PolarHBondContact O-N 3.25Å; E84-I88 WeakPolarHBondContact O-CG1 3.46Å; E84-I88 PolarHBondContact O-N 3.03Å
85	A	91.8	Very high	93.5	Very high	11 Å²	11	60.3 Å²	60.3	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-41.7	176.6	0	0	0	0	0	111.7	D81 K87 I88 Y89	D81-A85 VanDerWaalsContact O-CB 3.3Å; D81-A85 WeakPolarHBondContact O-CB 3.28Å; D81-A85 PolarHBondContact O-N 2.94Å; A85-K87 PolarHBondContact O-N 3.05Å; A85-I88 PolarHBondContact O-N 3.19Å; A85-Y89 WeakPolarHBondContact O-CD2 3.38Å; A85-Y89 PolarHBondContact O-N 3.11Å
86	Q	94.8	Very high	93.7	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-55.7	-49.2	173.6	-179.2	71.7	25.9	0	0	111.3	E82 E84 I88 Y89 E90 R122	E82-Q86 VanDerWaalsContact O-CB 3.27Å; E82-Q86 WeakPolarHBondContact O-CB 3.13Å; E82-Q86 PolarHBondContact O-N 3.2Å; E84-Q86 VanDerWaalsContact C-N 3.33Å; E84-Q86 PolarHBondContact O-N 3.38Å; Q86-I88 PolarHBondContact O-N 2.82Å; Q86-Y89 PolarHBondContact O-N 2.94Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.24Å; Q86-E90 PolarHBondContact NE2-OE1 3.44Å; Q86-E90 WeakPolarHBondContact O-CG 3.31Å; Q86-E90 PolarHBondContact O-N 3.36Å; Q86-R122 PolarHBondContact NE2-O 2.75Å
87	K	94.8	Very high	94.1	Very high	139 Å²	139	57.5 Å²	57.5	60%	0.604	30%	0.304	S	S	*	.	H	α-helix	trans	-62.9	-40.7	179.8	-71.1	169.7	-171.9	166.5	0	112.4	D83 E84 A85 E90 A91	D83-K87 WeakPolarHBondContact O-CG 3.41Å; D83-K87 PolarHBondContact O-N 3.21Å; E84-K87 PolarHBondContact O-N 3.25Å; A85-K87 PolarHBondContact O-N 3.05Å; K87-E90 PolarHBondContact O-N 2.94Å; K87-A91 WeakPolarHBondContact O-CB 3.22Å; K87-A91 PolarHBondContact O-N 3.47Å
88	I	93.6	Very high	94.4	Very high	40 Å²	40	57.2 Å²	57.2	21%	0.205	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-47.2	177.7	-69.8	166.7	0	0	0	110	L73 L76 K80 E84 A85 Q86 A91 E92	L73-I88 HydrophobicContact CD2-CG2 3.51Å; L76-I88 HydrophobicContact CD1-CD1 4.46Å; K80-I88 HydrophobicContact CD-CD1 4.5Å; K80-I88 HydrophobicContact CG-CD1 4Å; E84-I88 WeakPolarHBondContact O-CG1 3.46Å; E84-I88 PolarHBondContact O-N 3.03Å; A85-I88 PolarHBondContact O-N 3.19Å; Q86-I88 PolarHBondContact O-N 2.82Å; I88-A91 WeakPolarHBondContact O-CB 3.1Å; I88-A91 PolarHBondContact O-N 2.87Å; I88-E92 PolarHBondContact O-N 2.9Å
89	Y	95.7	Very high	94.8	Very high	3 Å²	3	52 Å²	52	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-69.3	-33.8	179.1	-80.2	-55.4	0	0	0	113.7	L73 E77 A85 Q86 A91 E92 L93 W115 V116 R119 L120	L73-Y89 HydrophobicContact CB-CE1 4.34Å; L73-Y89 HydrophobicContact CD1-CE1 4.16Å; L73-Y89 HydrophobicContact CD2-CE1 4.48Å; E77-Y89 HydrophobicContact CG-CE2 4.01Å; E77-Y89 VanDerWaalsContact OE1-CE2 3.23Å; E77-Y89 WeakPolarHBondContact OE1-CE2 3.44Å; E77-Y89 PolarHBondContact OE1-OH 3.49Å; A85-Y89 WeakPolarHBondContact O-CD2 3.38Å; A85-Y89 PolarHBondContact O-N 3.11Å; Q86-Y89 PolarHBondContact O-N 2.94Å; Y89-A91 VanDerWaalsContact C-N 3.34Å; Y89-E92 WeakPolarHBondContact O-CB 3.28Å; Y89-E92 PolarHBondContact O-N 2.85Å; Y89-L93 WeakPolarHBondContact O-CG 3.19Å; Y89-L93 PolarHBondContact O-N 3.43Å; Y89-W115 HydrophobicContact CE1-CH2 4.3Å; Y89-W115 AromaticContact CE1-CZ3 3.82Å; Y89-W115 HydrophobicContact CE1-CZ3 3.82Å; Y89-W115 WeakPolarHBondContact OH-CH2 3.31Å; Y89-V116 HydrophobicContact CD1-CB 4.25Å; Y89-V116 HydrophobicContact CD1-CG1 3.54Å; Y89-V116 HydrophobicContact CD1-CG2 4.12Å; Y89-V116 HydrophobicContact CE1-CG1 4.26Å; Y89-V116 HydrophobicContact CE1-CG2 4.2Å; Y89-V116 HydrophobicContact CG-CG1 4.23Å; Y89-R119 HydrophobicContact CE2-CB 4.3Å; Y89-L120 HydrophobicContact CG-CD2 4.25Å; Y89-L120 HydrophobicContact CG-CG 4.38Å
90	E	96.3	Very high	95.1	Very high	79 Å²	79	47.7 Å²	47.7	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-37.5	172.6	-75.7	173.9	-179.7	0	0	112.6	Q86 K87 S94	Q86-E90 WeakPolarHBondContact CG-OE1 3.24Å; Q86-E90 PolarHBondContact NE2-OE1 3.44Å; Q86-E90 WeakPolarHBondContact O-CG 3.31Å; Q86-E90 PolarHBondContact O-N 3.36Å; K87-E90 PolarHBondContact O-N 2.94Å; E90-S94 PolarHBondContact O-N 3.1Å; E90-S94 VanDerWaalsContact O-N 3.16Å; E90-S94 PolarHBondContact O-OG 3.19Å
91	A	95.9	Very high	95.4	Very high	59 Å²	59	51.8 Å²	51.8	49%	0.488	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-42.1	170.9	0	0	0	0	0	110.8	K87 I88 Y89 L93 S94 F95	K87-A91 WeakPolarHBondContact O-CB 3.22Å; K87-A91 PolarHBondContact O-N 3.47Å; I88-A91 WeakPolarHBondContact O-CB 3.1Å; I88-A91 PolarHBondContact O-N 2.87Å; Y89-A91 VanDerWaalsContact C-N 3.34Å; A91-L93 PolarHBondContact O-N 2.85Å; A91-S94 WeakPolarHBondContact O-CB 3.36Å; A91-S94 PolarHBondContact O-N 3.36Å; A91-S94 VanDerWaalsContact O-N 3.14Å; A91-F95 PolarHBondContact O-N 2.87Å
92	E	97.3	Very high	95.4	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-43.3	176.9	-169.3	67.4	177.5	0	0	112.2	R69 L73 I88 Y89 S94 F95 L96 H112 V116	R69-E92 IonicContact CZ-OE1 2.63Å; R69-E92 IonicContact CZ-OE2 3.33Å; R69-E92 IonicContact NE-OE1 3.47Å; R69-E92 PolarHBondContact NE-OE1 3.05Å; R69-E92 IonicContact NE-OE2 2.59Å; R69-E92 IonicContact NH2-OE1 2.93Å; R69-E92 PolarHBondContact NH2-OE1 3.04Å; R69-E92 IonicContact NH2-OE2 2.79Å; R69-E92 PolarHBondContact NH2-OE2 2.58Å; L73-E92 HydrophobicContact CD1-CG 3.98Å; I88-E92 PolarHBondContact O-N 2.9Å; Y89-E92 WeakPolarHBondContact O-CB 3.28Å; Y89-E92 PolarHBondContact O-N 2.85Å; E92-S94 VanDerWaalsContact C-N 3.26Å; E92-S94 PolarHBondContact O-N 3.03Å; E92-F95 PolarHBondContact O-N 3.01Å; E92-L96 HydrophobicContact CG-CD1 4.29Å; E92-L96 WeakPolarHBondContact O-CB 3.33Å; E92-L96 WeakPolarHBondContact O-CG 3.3Å; E92-L96 PolarHBondContact O-N 2.9Å; E92-H112 IonicContact OE1-CD2 3.94Å; E92-H112 IonicContact OE1-CE1 3.36Å; E92-H112 IonicContact OE1-NE2 3.17Å; E92-H112 PolarHBondContact OE1-NE2 3.5Å; E92-V116 HydrophobicContact CG-CG2 3.73Å
93	L	97.6	Very high	95.6	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-36.2	174.1	-74.1	-173.9	0	0	0	112.2	Y89 A91 L96 E97 R113 V116 L120	Y89-L93 WeakPolarHBondContact O-CG 3.19Å; Y89-L93 PolarHBondContact O-N 3.43Å; A91-L93 PolarHBondContact O-N 2.85Å; L93-L96 HydrophobicContact CD2-CD1 4.45Å; L93-E97 PolarHBondContact O-N 3.49Å; L93-R113 HydrophobicContact CD2-CG 3.86Å; L93-R113 PolarHBondContact O-NH1 3.26Å; L93-V116 HydrophobicContact CD2-CB 4.2Å; L93-V116 HydrophobicContact CD2-CG1 3.57Å; L93-V116 HydrophobicContact CG-CG1 3.83Å; L93-L120 HydrophobicContact CD1-CD1 3.54Å; L93-L120 HydrophobicContact CG-CD1 4.27Å
94	S	96.7	Very high	95.7	Very high	53 Å²	53	44.6 Å²	44.6	37%	0.371	24%	0.24	S	C	.	.	H	α-helix	trans	-73	-37.3	178.6	-54.4	0	0	0	0	111.7	E90 A91 E92 E97 S98 R127	E90-S94 PolarHBondContact O-N 3.1Å; E90-S94 VanDerWaalsContact O-N 3.16Å; E90-S94 PolarHBondContact O-OG 3.19Å; A91-S94 WeakPolarHBondContact O-CB 3.36Å; A91-S94 PolarHBondContact O-N 3.36Å; A91-S94 VanDerWaalsContact O-N 3.14Å; E92-S94 VanDerWaalsContact C-N 3.26Å; E92-S94 PolarHBondContact O-N 3.03Å; S94-E97 PolarHBondContact O-N 2.83Å; S94-S98 PolarHBondContact O-N 2.97Å; S94-S98 PolarHBondContact O-OG 3.46Å; S94-R127 PolarHBondContact OG-NH2 2.95Å
95	F	97.6	Very high	95.8	Very high	13 Å²	13	46 Å²	46	6%	0.057	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-45.3	171	166.4	-123.2	0	0	0	111.8	Q53 L56 S57 W66 A91 E92 E97 S98 C99	Q53-F95 HydrophobicContact CB-CE1 4.47Å; Q53-F95 HydrophobicContact CB-CE2 4.2Å; Q53-F95 HydrophobicContact CB-CZ 4.16Å; Q53-F95 HydrophobicContact CG-CD2 3.72Å; Q53-F95 HydrophobicContact CG-CE2 3.63Å; Q53-F95 HydrophobicContact CG-CG 4.31Å; Q53-F95 HydrophobicContact CG-CZ 4.1Å; L56-F95 HydrophobicContact CB-CE1 4.49Å; L56-F95 HydrophobicContact CB-CZ 3.75Å; S57-F95 WeakPolarHBondContact OG-CE2 3.17Å; W66-F95 HydrophobicContact CH2-CD1 4.42Å; W66-F95 AromaticContact CH2-CE1 3.59Å; W66-F95 HydrophobicContact CH2-CE1 3.59Å; W66-F95 HydrophobicContact CH2-CZ 4.03Å; W66-F95 HydrophobicContact CZ3-CD1 4.43Å; W66-F95 AromaticContact CZ3-CE1 3.71Å; W66-F95 HydrophobicContact CZ3-CE1 3.71Å; A91-F95 PolarHBondContact O-N 2.87Å; E92-F95 PolarHBondContact O-N 3.01Å; F95-E97 VanDerWaalsContact C-N 3.29Å; F95-E97 PolarHBondContact O-N 3.07Å; F95-S98 WeakPolarHBondContact O-CA 3.45Å; F95-S98 VanDerWaalsContact O-CB 3.29Å; F95-S98 WeakPolarHBondContact O-CB 3.13Å; F95-S98 PolarHBondContact O-N 2.97Å; F95-C99 WeakPolarHBondContact CE2-SG 3.42Å; F95-C99 WeakPolarHBondContact CZ-SG 3.34Å; F95-C99 PolarHBondContact O-N 2.9Å
96	L	97.9	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-37.6	176.1	-82.1	163.5	0	0	0	112.7	W66 E92 L93 S98 C99 L100 S109 H112 R113 V116	W66-L96 HydrophobicContact CH2-CD2 3.55Å; W66-L96 HydrophobicContact CH2-CG 4.43Å; W66-L96 HydrophobicContact CZ2-CD2 4.23Å; W66-L96 HydrophobicContact CZ3-CD2 3.8Å; W66-L96 HydrophobicContact CZ3-CG 4.48Å; E92-L96 HydrophobicContact CG-CD1 4.29Å; E92-L96 WeakPolarHBondContact O-CB 3.33Å; E92-L96 WeakPolarHBondContact O-CG 3.3Å; E92-L96 PolarHBondContact O-N 2.9Å; L93-L96 HydrophobicContact CD2-CD1 4.45Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 2.82Å; L96-C99 WeakPolarHBondContact O-CB 3.47Å; L96-C99 PolarHBondContact O-N 2.92Å; L96-C99 VanDerWaalsContact O-N 3.15Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 2.83Å; L96-S109 WeakPolarHBondContact CD2-O 3.44Å; L96-H112 HydrophobicContact CD2-CB 4.27Å; L96-R113 HydrophobicContact CD1-CB 3.85Å; L96-R113 HydrophobicContact CD1-CG 4.06Å; L96-V116 HydrophobicContact CD1-CG2 4.2Å
97	E	96.2	Very high	96.2	Very high	37 Å²	37	52.4 Å²	52.4	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-36.6	174	-174.4	170.3	174.8	0	0	111.5	L93 S94 F95 L100 K101 L131 R134	L93-E97 PolarHBondContact O-N 3.49Å; S94-E97 PolarHBondContact O-N 2.83Å; F95-E97 VanDerWaalsContact C-N 3.29Å; F95-E97 PolarHBondContact O-N 3.07Å; E97-L100 PolarHBondContact O-N 2.87Å; E97-K101 WeakPolarHBondContact O-CG 3.22Å; E97-K101 PolarHBondContact O-N 3.26Å; E97-K101 VanDerWaalsContact O-N 3.15Å; E97-L131 HydrophobicContact CG-CD1 4.15Å; E97-R134 IonicContact OE1-CZ 2.74Å; E97-R134 IonicContact OE1-NH2 3.71Å; E97-R134 PolarHBondContact OE1-NH2 3.35Å; E97-R134 IonicContact OE2-NH2 3.71Å
98	S	96.3	Very high	96.3	Very high	60 Å²	60	46.7 Å²	46.7	42%	0.42	25%	0.248	S	C	.	.	H	α-helix	trans	-66.3	-40.4	172.6	-57.2	0	0	0	0	112.1	S94 F95 L96 L100 K101 V102	S94-S98 PolarHBondContact O-N 2.97Å; S94-S98 PolarHBondContact O-OG 3.46Å; F95-S98 WeakPolarHBondContact O-CA 3.45Å; F95-S98 VanDerWaalsContact O-CB 3.29Å; F95-S98 WeakPolarHBondContact O-CB 3.13Å; F95-S98 PolarHBondContact O-N 2.97Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 2.82Å; S98-L100 PolarHBondContact O-N 2.91Å; S98-K101 WeakPolarHBondContact O-CB 3.24Å; S98-K101 PolarHBondContact O-N 3.48Å; S98-V102 PolarHBondContact O-N 2.82Å
99	C	97.4	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-40.1	175.2	-70.4	0	0	0	0	112.5	P60 W66 F95 L96 K101 V102 N103	P60-C99 HydrophobicContact CB-CB 4.04Å; W66-C99 HydrophobicContact CH2-CB 4.49Å; W66-C99 HydrophobicContact CZ2-CB 4.44Å; F95-C99 WeakPolarHBondContact CE2-SG 3.42Å; F95-C99 WeakPolarHBondContact CZ-SG 3.34Å; F95-C99 PolarHBondContact O-N 2.9Å; L96-C99 WeakPolarHBondContact O-CB 3.47Å; L96-C99 PolarHBondContact O-N 2.92Å; L96-C99 VanDerWaalsContact O-N 3.15Å; C99-K101 VanDerWaalsContact C-N 3.3Å; C99-K101 PolarHBondContact O-N 2.95Å; C99-V102 WeakPolarHBondContact O-CB 3.43Å; C99-V102 PolarHBondContact O-N 2.8Å; C99-V102 VanDerWaalsContact O-N 3.09Å; C99-N103 PolarHBondContact O-N 2.96Å
100	L	96.6	Very high	96.7	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-67.4	-29.1	176.8	-70.1	174.9	0	0	0	112.5	L96 E97 S98 V102 N103 P104 W110	L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 2.83Å; E97-L100 PolarHBondContact O-N 2.87Å; S98-L100 PolarHBondContact O-N 2.91Å; L100-V102 VanDerWaalsContact C-N 3.29Å; L100-N103 CarbonylContact O-C 3.26Å; L100-N103 VanDerWaalsContact O-C 3.26Å; L100-P104 WeakPolarHBondContact O-CA 3.31Å; L100-P104 WeakPolarHBondContact O-CB 3.21Å; L100-P104 WeakPolarHBondContact O-CD 3.46Å; L100-W110 HydrophobicContact CD1-CD2 4.32Å; L100-W110 HydrophobicContact CD1-CE3 4.21Å; L100-W110 HydrophobicContact CD1-CH2 3.91Å; L100-W110 HydrophobicContact CD1-CZ2 4.01Å; L100-W110 HydrophobicContact CD1-CZ3 4Å; L100-W110 HydrophobicContact CD2-CD2 3.85Å; L100-W110 HydrophobicContact CD2-CG 4.06Å; L100-W110 HydrophobicContact CD2-CZ2 3.97Å
101	K	94.7	Very high	96.8	Very high	157 Å²	157	47.3 Å²	47.3	68%	0.683	25%	0.25	S	C	*	.	H	α-helix	trans	-66.8	-31.6	170.3	-70.8	172.1	-175.6	173.8	0	112.4	E97 S98 C99	E97-K101 WeakPolarHBondContact O-CG 3.22Å; E97-K101 PolarHBondContact O-N 3.26Å; E97-K101 VanDerWaalsContact O-N 3.15Å; S98-K101 WeakPolarHBondContact O-CB 3.24Å; S98-K101 PolarHBondContact O-N 3.48Å; C99-K101 VanDerWaalsContact C-N 3.3Å; C99-K101 PolarHBondContact O-N 2.95Å
102	V	94.1	Very high	96.9	Very high	83 Å²	83	44.5 Å²	44.5	50%	0.503	23%	0.226	S	C	.	.	H	α-helix	trans	-75.3	-48	177.3	175	0	0	0	0	111	S57 P60 S98 C99 L100	S57-V102 WeakPolarHBondContact O-CG2 3.44Å; P60-V102 HydrophobicContact CG-CG1 4.28Å; S98-V102 PolarHBondContact O-N 2.82Å; C99-V102 WeakPolarHBondContact O-CB 3.43Å; C99-V102 PolarHBondContact O-N 2.8Å; C99-V102 VanDerWaalsContact O-N 3.09Å; L100-V102 VanDerWaalsContact C-N 3.29Å
103	N	95.1	Very high	96.9	Very high	41 Å²	41	44.2 Å²	44.2	22%	0.219	23%	0.225	C	C	.	.			trans	-141.2	98.8	173.5	-176.6	7.1	0	0	0	110.5	P60 D61 C99 L100 K105 S106	P60-N103 HydrophobicContact CG-CB 3.79Å; D61-N103 PolarHBondContact OD1-ND2 3.18Å; D61-N103 PolarHBondContact OD2-ND2 3.22Å; C99-N103 PolarHBondContact O-N 2.96Å; L100-N103 CarbonylContact O-C 3.26Å; L100-N103 VanDerWaalsContact O-C 3.26Å; N103-K105 PolarHBondContact O-N 2.67Å; N103-K105 VanDerWaalsContact O-N 3.1Å; N103-K105 PolarHBondContact OD1-N 3.28Å; N103-S106 WeakPolarHBondContact O-CB 3.14Å; N103-S106 PolarHBondContact O-N 2.87Å
104	P	96.1	Very high	96.9	Very high	53 Å²	53	44.4 Å²	44.4	34%	0.344	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-5	180	28.1	-34.8	0	0	0	113.1	L100 W110 N142	L100-P104 WeakPolarHBondContact O-CA 3.31Å; L100-P104 WeakPolarHBondContact O-CB 3.21Å; L100-P104 WeakPolarHBondContact O-CD 3.46Å; P104-W110 PolarHBondContact O-NE1 3.22Å; P104-N142 PolarHBondContact O-ND2 3.24Å
105	K	96	Very high	96.9	Very high	104 Å²	104	43.5 Å²	43.5	45%	0.452	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	19	179	-57.1	-175.3	-179.1	-174.8	0	112.2	N103 Y107 D139 H144	N103-K105 PolarHBondContact O-N 2.67Å; N103-K105 VanDerWaalsContact O-N 3.1Å; N103-K105 PolarHBondContact OD1-N 3.28Å; K105-Y107 PolarHBondContact O-N 3.04Å; K105-D139 WeakPolarHBondContact CE-OD2 3.37Å; K105-D139 IonicContact NZ-OD2 2.72Å; K105-D139 PolarHBondContact NZ-OD2 3.21Å; K105-H144 PolarHBondContact O-NE2 2.96Å
106	S	97.3	Very high	96.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.			trans	-78.7	111.3	177.6	-177.2	0	0	0	0	111	P60 D61 N103 G108 S109 W110	P60-S106 PolarHBondContact O-OG 2.86Å; D61-S106 WeakPolarHBondContact OD1-CA 3.32Å; D61-S106 WeakPolarHBondContact OD1-CB 3.3Å; D61-S106 PolarHBondContact OD1-OG 2.57Å; N103-S106 WeakPolarHBondContact O-CB 3.14Å; N103-S106 PolarHBondContact O-N 2.87Å; S106-G108 VanDerWaalsContact C-N 3.27Å; S106-G108 PolarHBondContact O-N 2.9Å; S106-S109 PolarHBondContact O-N 3.45Å; S106-S109 PolarHBondContact OG-N 3.14Å; S106-S109 PolarHBondContact OG-OG 2.63Å; S106-W110 VanDerWaalsContact O-CD1 3.26Å; S106-W110 PolarHBondContact O-N 3.14Å
107	Y	97.4	Very high	96.7	Very high	160 Å²	160	43 Å²	43	63%	0.627	22%	0.215	S	C	*	.	H	α-helix	trans	-56	-43.1	173.8	-78	-85.8	0	0	0	112	K105 S109 W110 H111 F143 H144	K105-Y107 PolarHBondContact O-N 3.04Å; Y107-S109 PolarHBondContact O-N 3.22Å; Y107-W110 PolarHBondContact O-N 3.06Å; Y107-H111 WeakPolarHBondContact O-CB 3.02Å; Y107-H111 PolarHBondContact O-N 3.3Å; Y107-F143 HydrophobicContact CE1-CE2 4.47Å; Y107-F143 WeakPolarHBondContact OH-CZ 3.24Å; Y107-H144 AromaticContact CD1-CE1 3.69Å; Y107-H144 AromaticContact CD1-ND1 3.97Å; Y107-H144 AromaticContact CD2-CE1 3.73Å; Y107-H144 AromaticContact CE1-CE1 3.51Å; Y107-H144 AromaticContact CE1-ND1 3.95Å; Y107-H144 AromaticContact CE2-CE1 3.55Å; Y107-H144 AromaticContact CG-CE1 3.81Å; Y107-H144 AromaticContact CZ-CE1 3.44Å; Y107-H144 VanDerWaalsContact CZ-CE1 3.44Å
108	G	97.3	Very high	96.5	Very high	18 Å²	18	44.2 Å²	44.2	19%	0.186	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-46.9	-179.2	0	0	0	0	0	112.2	S106 H112	S106-G108 VanDerWaalsContact C-N 3.27Å; S106-G108 PolarHBondContact O-N 2.9Å; G108-H112 VanDerWaalsContact O-CB 3.23Å; G108-H112 WeakPolarHBondContact O-CB 3.28Å; G108-H112 PolarHBondContact O-N 3.04Å
109	S	98.2	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-49.7	178.1	-61.9	0	0	0	0	112.5	P60 L96 S106 Y107 H112 R113	P60-S109 WeakPolarHBondContact CB-OG 3.41Å; L96-S109 WeakPolarHBondContact CD2-O 3.44Å; S106-S109 PolarHBondContact O-N 3.45Å; S106-S109 PolarHBondContact OG-N 3.14Å; S106-S109 PolarHBondContact OG-OG 2.63Å; Y107-S109 PolarHBondContact O-N 3.22Å; S109-H112 PolarHBondContact O-N 2.96Å; S109-R113 WeakPolarHBondContact O-CB 3.29Å; S109-R113 PolarHBondContact O-N 3.27Å
110	W	98.3	Very high	96.2	Very high	15 Å²	15	47.1 Å²	47.1	6%	0.057	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-43.3	-179.4	-76.3	112.1	0	0	0	112.5	L100 P104 S106 Y107 R113 G114 H144 C145 Y148	L100-W110 HydrophobicContact CD1-CD2 4.32Å; L100-W110 HydrophobicContact CD1-CE3 4.21Å; L100-W110 HydrophobicContact CD1-CH2 3.91Å; L100-W110 HydrophobicContact CD1-CZ2 4.01Å; L100-W110 HydrophobicContact CD1-CZ3 4Å; L100-W110 HydrophobicContact CD2-CD2 3.85Å; L100-W110 HydrophobicContact CD2-CG 4.06Å; L100-W110 HydrophobicContact CD2-CZ2 3.97Å; P104-W110 PolarHBondContact O-NE1 3.22Å; S106-W110 VanDerWaalsContact O-CD1 3.26Å; S106-W110 PolarHBondContact O-N 3.14Å; Y107-W110 PolarHBondContact O-N 3.06Å; W110-R113 PolarHBondContact O-N 2.9Å; W110-G114 PolarHBondContact O-N 3.11Å; W110-H144 AromaticContact CD1-CG 3.91Å; W110-H144 HydrophobicContact CD2-CB 4.29Å; W110-H144 HydrophobicContact CG-CB 3.91Å; W110-C145 HydrophobicContact CH2-CB 3.93Å; W110-C145 HydrophobicContact CZ2-CB 3.84Å; W110-Y148 AromaticContact CE3-CD1 3.95Å; W110-Y148 HydrophobicContact CE3-CD1 3.95Å; W110-Y148 AromaticContact CE3-CD2 3.88Å; W110-Y148 HydrophobicContact CE3-CD2 3.88Å; W110-Y148 AromaticContact CE3-CG 3.51Å; W110-Y148 HydrophobicContact CE3-CG 3.51Å; W110-Y148 AromaticContact CZ3-CD1 3.45Å; W110-Y148 HydrophobicContact CZ3-CD1 3.45Å; W110-Y148 VanDerWaalsContact CZ3-CD1 3.45Å; W110-Y148 HydrophobicContact CZ3-CD2 4.25Å; W110-Y148 HydrophobicContact CZ3-CE1 4.13Å; W110-Y148 AromaticContact CZ3-CG 3.52Å; W110-Y148 HydrophobicContact CZ3-CG 3.52Å
111	H	97.9	Very high	95.9	Very high	121 Å²	121	49.5 Å²	49.5	56%	0.56	25%	0.25	S	S	*	.	H	α-helix	trans	-63.6	-45.1	177.1	178.3	-88.4	0	0	0	111.7	Y107 R113 G114 W115	Y107-H111 WeakPolarHBondContact O-CB 3.02Å; Y107-H111 PolarHBondContact O-N 3.3Å; H111-R113 VanDerWaalsContact C-N 3.31Å; H111-R113 PolarHBondContact O-N 3.35Å; H111-G114 PolarHBondContact O-N 2.76Å; H111-W115 PolarHBondContact O-N 2.73Å
112	H	98.4	Very high	95.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-38	177	-168.8	70.5	0	0	0	111.5	W66 R70 E92 L96 G108 S109 W115 V116	W66-H112 HydrophobicContact CD2-CB 4.09Å; W66-H112 HydrophobicContact CE3-CB 3.84Å; W66-H112 AromaticContact CE3-CD2 3.32Å; W66-H112 AromaticContact CE3-CG 3.46Å; W66-H112 VanDerWaalsContact CE3-CG 3.46Å; W66-H112 AromaticContact CE3-NE2 3.79Å; W66-H112 HydrophobicContact CG-CB 4.46Å; W66-H112 HydrophobicContact CZ3-CB 4.37Å; W66-H112 AromaticContact CZ3-CD2 3.39Å; W66-H112 WeakPolarHBondContact CZ3-CD2 3.46Å; W66-H112 AromaticContact CZ3-CG 3.97Å; W66-H112 AromaticContact CZ3-NE2 3.95Å; R70-H112 WeakPolarHBondContact CG-CE1 3.16Å; R70-H112 WeakPolarHBondContact CG-ND1 3.27Å; R70-H112 PolarHBondContact NH1-ND1 3.44Å; E92-H112 IonicContact OE1-CD2 3.94Å; E92-H112 IonicContact OE1-CE1 3.36Å; E92-H112 IonicContact OE1-NE2 3.17Å; E92-H112 PolarHBondContact OE1-NE2 3.5Å; L96-H112 HydrophobicContact CD2-CB 4.27Å; G108-H112 VanDerWaalsContact O-CB 3.23Å; G108-H112 WeakPolarHBondContact O-CB 3.28Å; G108-H112 PolarHBondContact O-N 3.04Å; S109-H112 PolarHBondContact O-N 2.96Å; H112-W115 AromaticContact CE1-CE3 3.96Å; H112-W115 WeakPolarHBondContact O-CB 3.4Å; H112-W115 PolarHBondContact O-N 2.73Å; H112-V116 WeakPolarHBondContact O-CG2 3.46Å; H112-V116 PolarHBondContact O-N 3.24Å
113	R	98.1	Very high	96	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-47	173.8	-164.4	-179	-172.2	79.5	7.1	112.4	L93 L96 S109 W110 H111 W115 V116 S117 E128 Y148	L93-R113 HydrophobicContact CD2-CG 3.86Å; L93-R113 PolarHBondContact O-NH1 3.26Å; L96-R113 HydrophobicContact CD1-CB 3.85Å; L96-R113 HydrophobicContact CD1-CG 4.06Å; S109-R113 WeakPolarHBondContact O-CB 3.29Å; S109-R113 PolarHBondContact O-N 3.27Å; W110-R113 PolarHBondContact O-N 2.9Å; H111-R113 VanDerWaalsContact C-N 3.31Å; H111-R113 PolarHBondContact O-N 3.35Å; R113-W115 VanDerWaalsContact C-N 3.28Å; R113-W115 PolarHBondContact O-N 3.27Å; R113-V116 PolarHBondContact O-N 3.34Å; R113-S117 WeakPolarHBondContact O-CB 3.41Å; R113-S117 PolarHBondContact O-N 3.4Å; R113-S117 PolarHBondContact O-OG 3.4Å; R113-E128 IonicContact CZ-OE1 3.08Å; R113-E128 IonicContact CZ-OE2 2.64Å; R113-E128 VanDerWaalsContact CZ-OE2 3.31Å; R113-E128 IonicContact NE-OE1 3.49Å; R113-E128 IonicContact NE-OE2 3.52Å; R113-E128 PolarHBondContact NE-OE2 3.47Å; R113-E128 VanDerWaalsContact NH2-CD 3.31Å; R113-E128 IonicContact NH2-OE1 2.77Å; R113-E128 PolarHBondContact NH2-OE1 2.94Å; R113-E128 IonicContact NH2-OE2 3.53Å; R113-E128 PolarHBondContact NH2-OE2 3.28Å; R113-E128 VanDerWaalsContact NH2-OE2 3.08Å; R113-Y148 HydrophobicContact CB-CE2 4.18Å; R113-Y148 HydrophobicContact CG-CE2 4.01Å; R113-Y148 WeakPolarHBondContact CG-OH 3.28Å; R113-Y148 PolarHBondContact NE-OH 3.33Å
114	G	96.8	Very high	96	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-39.3	174.7	0	0	0	0	0	112.7	W110 H111 A118	W110-G114 PolarHBondContact O-N 3.11Å; H111-G114 PolarHBondContact O-N 2.76Å; G114-A118 WeakPolarHBondContact O-CB 3.45Å; G114-A118 PolarHBondContact O-N 2.94Å; G114-A118 VanDerWaalsContact O-N 3.1Å
115	W	97.3	Very high	96	Very high	34 Å²	34	48.6 Å²	48.6	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-42.3	175	177.9	94.8	0	0	0	112.9	R70 L73 Y89 H111 H112 R113 R119	R70-W115 HydrophobicContact CB-CH2 4.07Å; R70-W115 HydrophobicContact CB-CZ2 3.89Å; R70-W115 HydrophobicContact CB-CZ3 4.44Å; R70-W115 VanDerWaalsContact CD-CE2 3.41Å; R70-W115 HydrophobicContact CG-CD2 3.7Å; R70-W115 HydrophobicContact CG-CE3 3.74Å; R70-W115 HydrophobicContact CG-CG 4.36Å; R70-W115 HydrophobicContact CG-CH2 3.96Å; R70-W115 HydrophobicContact CG-CZ2 3.88Å; R70-W115 HydrophobicContact CG-CZ3 3.86Å; L73-W115 HydrophobicContact CB-CH2 3.88Å; L73-W115 HydrophobicContact CB-CZ3 4.15Å; L73-W115 HydrophobicContact CD1-CH2 4.35Å; L73-W115 HydrophobicContact CD1-CZ3 3.78Å; Y89-W115 HydrophobicContact CE1-CH2 4.3Å; Y89-W115 AromaticContact CE1-CZ3 3.82Å; Y89-W115 HydrophobicContact CE1-CZ3 3.82Å; Y89-W115 WeakPolarHBondContact OH-CH2 3.31Å; H111-W115 PolarHBondContact O-N 2.73Å; H112-W115 AromaticContact CE1-CE3 3.96Å; H112-W115 WeakPolarHBondContact O-CB 3.4Å; H112-W115 PolarHBondContact O-N 2.73Å; R113-W115 VanDerWaalsContact C-N 3.28Å; R113-W115 PolarHBondContact O-N 3.27Å; W115-R119 VanDerWaalsContact CE2-CD 3.5Å; W115-R119 VanDerWaalsContact CE2-CZ 3.48Å; W115-R119 VanDerWaalsContact CE2-NE 3.34Å; W115-R119 VanDerWaalsContact CZ2-NE 3.35Å; W115-R119 PolarHBondContact O-NH1 3.19Å
116	V	97	Very high	96	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-50.4	175.2	167	0	0	0	0	110.7	Y89 E92 L93 L96 H112 R113 A118 R119 L120	Y89-V116 HydrophobicContact CD1-CB 4.25Å; Y89-V116 HydrophobicContact CD1-CG1 3.54Å; Y89-V116 HydrophobicContact CD1-CG2 4.12Å; Y89-V116 HydrophobicContact CE1-CG1 4.26Å; Y89-V116 HydrophobicContact CE1-CG2 4.2Å; Y89-V116 HydrophobicContact CG-CG1 4.23Å; E92-V116 HydrophobicContact CG-CG2 3.73Å; L93-V116 HydrophobicContact CD2-CB 4.2Å; L93-V116 HydrophobicContact CD2-CG1 3.57Å; L93-V116 HydrophobicContact CG-CG1 3.83Å; L96-V116 HydrophobicContact CD1-CG2 4.2Å; H112-V116 WeakPolarHBondContact O-CG2 3.46Å; H112-V116 PolarHBondContact O-N 3.24Å; R113-V116 PolarHBondContact O-N 3.34Å; V116-A118 PolarHBondContact O-N 3.41Å; V116-R119 PolarHBondContact O-N 3Å; V116-L120 HydrophobicContact CG1-CD1 4.47Å; V116-L120 PolarHBondContact O-N 2.91Å
117	S	95.1	Very high	95.9	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-31.4	-177.6	-65.9	0	0	0	0	113.2	R113 R119 W125 Y148	R113-S117 WeakPolarHBondContact O-CB 3.41Å; R113-S117 PolarHBondContact O-N 3.4Å; R113-S117 PolarHBondContact O-OG 3.4Å; S117-R119 VanDerWaalsContact C-N 3.29Å; S117-R119 PolarHBondContact O-N 3.07Å; S117-W125 WeakPolarHBondContact O-CH2 3.31Å; S117-Y148 PolarHBondContact OG-OH 3.01Å
118	A	91.7	Very high	95.9	Very high	61 Å²	61	41.3 Å²	41.3	50%	0.504	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.5	175.5	0	0	0	0	0	114.3	G114 V116	G114-A118 WeakPolarHBondContact O-CB 3.45Å; G114-A118 PolarHBondContact O-N 2.94Å; G114-A118 VanDerWaalsContact O-N 3.1Å; V116-A118 PolarHBondContact O-N 3.41Å
119	R	92.7	Very high	95.9	Very high	107 Å²	107	41.9 Å²	41.9	40%	0.404	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-13.4	-177.6	-77.7	174.1	172.9	62.7	6	114.3	Y89 W115 V116 S117 P121	Y89-R119 HydrophobicContact CE2-CB 4.3Å; W115-R119 VanDerWaalsContact CE2-CD 3.5Å; W115-R119 VanDerWaalsContact CE2-CZ 3.48Å; W115-R119 VanDerWaalsContact CE2-NE 3.34Å; W115-R119 VanDerWaalsContact CZ2-NE 3.35Å; W115-R119 PolarHBondContact O-NH1 3.19Å; V116-R119 PolarHBondContact O-N 3Å; S117-R119 VanDerWaalsContact C-N 3.29Å; S117-R119 PolarHBondContact O-N 3.07Å; R119-P121 WeakPolarHBondContact O-CD 3.46Å
120	L	93.3	Very high	95.9	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.079	24%	0.235	C	C	.	.			trans	-54.2	126.4	173.5	-93.5	165.6	0	0	0	110.4	Y89 L93 V116 R122 P123	Y89-L120 HydrophobicContact CG-CD2 4.25Å; Y89-L120 HydrophobicContact CG-CG 4.38Å; L93-L120 HydrophobicContact CD1-CD1 3.54Å; L93-L120 HydrophobicContact CG-CD1 4.27Å; V116-L120 HydrophobicContact CG1-CD1 4.47Å; V116-L120 PolarHBondContact O-N 2.91Å; L120-R122 VanDerWaalsContact C-N 3.26Å; L120-R122 PolarHBondContact O-N 3.46Å; L120-P123 HydrophobicContact CB-CB 4.13Å
121	P	91.4	Very high	95.8	Very high	57 Å²	57	47.2 Å²	47.2	37%	0.37	23%	0.233	S	C	.	.	S	Bend	trans	-57.6	-40.8	175	-26.5	34.2	0	0	0	112.3	R119	R119-P121 WeakPolarHBondContact O-CD 3.46Å
122	R	94.8	Very high	95.8	Very high	138 Å²	138	41.5 Å²	41.5	52%	0.521	21%	0.207	S	C	.	.	S	Bend	trans	-129	85.9	178.1	-67.3	169.9	-68.3	-164.3	-6	109.8	D83 Q86 L120	D83-R122 IonicContact OD1-CZ 3.55Å; D83-R122 IonicContact OD1-NH1 3.56Å; D83-R122 IonicContact OD1-NH2 2.68Å; D83-R122 PolarHBondContact OD1-NH2 2.9Å; Q86-R122 PolarHBondContact NE2-O 2.75Å; L120-R122 VanDerWaalsContact C-N 3.26Å; L120-R122 PolarHBondContact O-N 3.46Å
123	P	95	Very high	95.7	Very high	45 Å²	45	44 Å²	44	29%	0.292	22%	0.22	S	C	.	.			trans	-74.2	128	-178.9	28.6	-32.7	0	0	0	111.8	L120 W125	L120-P123 HydrophobicContact CB-CB 4.13Å; P123-W125 HydrophobicContact CB-CD2 4.09Å; P123-W125 HydrophobicContact CB-CH2 4.11Å; P123-W125 HydrophobicContact CB-CZ2 3.64Å; P123-W125 HydrophobicContact CG-CD2 4.45Å; P123-W125 HydrophobicContact CG-CH2 4.49Å; P123-W125 HydrophobicContact CG-CZ2 3.6Å; P123-W125 PolarHBondContact O-N 2.96Å
124	D	95.9	Very high	95.6	Very high	80 Å²	80	49 Å²	49	43%	0.428	24%	0.239	S	C	.	.			trans	-86.7	84.8	169.2	-179	-3.5	0	0	0	110	A126 R127 E128 R130	D124-A126 PolarHBondContact O-N 2.89Å; D124-A126 WeakPolarHBondContact OD1-CB 3.35Å; D124-A126 PolarHBondContact OD1-N 3.14Å; D124-A126 VanDerWaalsContact OD1-N 3.1Å; D124-R127 HydrophobicContact CB-CB 4.03Å; D124-R127 VanDerWaalsContact CG-CB 3.45Å; D124-R127 WeakPolarHBondContact O-CB 3.38Å; D124-R127 PolarHBondContact O-N 2.99Å; D124-R127 PolarHBondContact OD1-N 3.06Å; D124-R127 VanDerWaalsContact OD2-CB 3.28Å; D124-R127 WeakPolarHBondContact OD2-CB 3.39Å; D124-E128 PolarHBondContact O-N 3.14Å; D124-R130 IonicContact OD2-NH2 2.68Å
125	W	96.2	Very high	95.6	Very high	51 Å²	51	49.5 Å²	49.5	19%	0.193	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-27.6	178.4	-60.4	123.9	0	0	0	113.3	S117 P123 R127 E128 L129 V152 M155 S156	S117-W125 WeakPolarHBondContact O-CH2 3.31Å; P123-W125 HydrophobicContact CB-CD2 4.09Å; P123-W125 HydrophobicContact CB-CH2 4.11Å; P123-W125 HydrophobicContact CB-CZ2 3.64Å; P123-W125 HydrophobicContact CG-CD2 4.45Å; P123-W125 HydrophobicContact CG-CH2 4.49Å; P123-W125 HydrophobicContact CG-CZ2 3.6Å; P123-W125 PolarHBondContact O-N 2.96Å; W125-R127 VanDerWaalsContact C-N 3.35Å; W125-E128 HydrophobicContact CE3-CG 4.47Å; W125-E128 PolarHBondContact O-N 3.15Å; W125-L129 WeakPolarHBondContact O-CG 3.33Å; W125-L129 PolarHBondContact O-N 2.73Å; W125-V152 HydrophobicContact CE3-CG1 3.94Å; W125-V152 HydrophobicContact CE3-CG2 4.48Å; W125-M155 HydrophobicContact CH2-CB 3.69Å; W125-M155 HydrophobicContact CH2-CG 4.19Å; W125-M155 HydrophobicContact CZ2-CB 3.66Å; W125-M155 HydrophobicContact CZ3-CB 4.2Å; W125-S156 VanDerWaalsContact CG-CB 3.49Å
126	A	96.1	Very high	95.5	Very high	49 Å²	49	48 Å²	48	41%	0.405	24%	0.235	S	C	.	.	H	α-helix	trans	-68	-37.2	176.9	0	0	0	0	0	111	D124 E128 R130	D124-A126 PolarHBondContact O-N 2.89Å; D124-A126 WeakPolarHBondContact OD1-CB 3.35Å; D124-A126 PolarHBondContact OD1-N 3.14Å; D124-A126 VanDerWaalsContact OD1-N 3.1Å; A126-E128 VanDerWaalsContact C-N 3.34Å; A126-R130 VanDerWaalsContact C-NH1 3.34Å; A126-R130 WeakPolarHBondContact O-CB 3.3Å; A126-R130 VanDerWaalsContact O-CG 3.31Å; A126-R130 WeakPolarHBondContact O-CG 3.31Å; A126-R130 PolarHBondContact O-N 2.81Å; A126-R130 PolarHBondContact O-NH1 2.83Å
127	R	95.8	Very high	95.3	Very high	59 Å²	59	52.6 Å²	52.6	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-42.5	170.3	173.1	-176.9	174.8	178.6	0.1	111.8	S94 D124 W125 R130 L131	S94-R127 PolarHBondContact OG-NH2 2.95Å; D124-R127 HydrophobicContact CB-CB 4.03Å; D124-R127 VanDerWaalsContact CG-CB 3.45Å; D124-R127 WeakPolarHBondContact O-CB 3.38Å; D124-R127 PolarHBondContact O-N 2.99Å; D124-R127 PolarHBondContact OD1-N 3.06Å; D124-R127 VanDerWaalsContact OD2-CB 3.28Å; D124-R127 WeakPolarHBondContact OD2-CB 3.39Å; W125-R127 VanDerWaalsContact C-N 3.35Å; R127-R130 PolarHBondContact O-N 2.87Å; R127-L131 PolarHBondContact O-N 3.12Å
128	E	97.6	Very high	95.2	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.019	31%	0.305	C	S	.	.	H	α-helix	trans	-69	-38.8	-178.9	-63.7	-53.2	117.1	0	0	112.6	R113 D124 W125 A126 L131 C132 Y148 V152	R113-E128 IonicContact CZ-OE1 3.08Å; R113-E128 IonicContact CZ-OE2 2.64Å; R113-E128 VanDerWaalsContact CZ-OE2 3.31Å; R113-E128 IonicContact NE-OE1 3.49Å; R113-E128 IonicContact NE-OE2 3.52Å; R113-E128 PolarHBondContact NE-OE2 3.47Å; R113-E128 VanDerWaalsContact NH2-CD 3.31Å; R113-E128 IonicContact NH2-OE1 2.77Å; R113-E128 PolarHBondContact NH2-OE1 2.94Å; R113-E128 IonicContact NH2-OE2 3.53Å; R113-E128 PolarHBondContact NH2-OE2 3.28Å; R113-E128 VanDerWaalsContact NH2-OE2 3.08Å; D124-E128 PolarHBondContact O-N 3.14Å; W125-E128 HydrophobicContact CE3-CG 4.47Å; W125-E128 PolarHBondContact O-N 3.15Å; A126-E128 VanDerWaalsContact C-N 3.34Å; E128-L131 WeakPolarHBondContact O-CB 3.17Å; E128-L131 PolarHBondContact O-N 3.28Å; E128-C132 PolarHBondContact O-N 3.16Å; E128-C132 PolarHBondContact O-SG 3.04Å; E128-Y148 HydrophobicContact CB-CE1 4.4Å; E128-Y148 WeakPolarHBondContact OE2-CE1 3.3Å; E128-Y148 PolarHBondContact OE2-OH 3.14Å; E128-V152 HydrophobicContact CB-CG1 4.05Å; E128-V152 HydrophobicContact CB-CG2 3.91Å
129	L	97.4	Very high	95.3	Very high	29 Å²	29	59 Å²	59	15%	0.152	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-43.2	171.1	-68.8	171.7	0	0	0	111.6	W125 L131 C132 D133 R149 V152 V153 V158	W125-L129 WeakPolarHBondContact O-CG 3.33Å; W125-L129 PolarHBondContact O-N 2.73Å; L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 3.43Å; L129-C132 WeakPolarHBondContact O-CB 3.39Å; L129-C132 PolarHBondContact O-N 3.4Å; L129-C132 VanDerWaalsContact O-N 3.08Å; L129-D133 PolarHBondContact O-N 3.49Å; L129-R149 HydrophobicContact CD2-CG 4.29Å; L129-V152 HydrophobicContact CD2-CB 4.37Å; L129-V152 HydrophobicContact CD2-CG1 3.7Å; L129-V152 HydrophobicContact CG-CG1 3.78Å; L129-V153 HydrophobicContact CD2-CG2 4.17Å; L129-V158 HydrophobicContact CD1-CG2 3.94Å
130	R	97.1	Very high	95.3	Very high	124 Å²	124	55.5 Å²	55.5	47%	0.468	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-34.4	174	-74.3	-171.4	-58	-85.9	2.8	112.6	D124 A126 R127 R134	D124-R130 IonicContact OD2-NH2 2.68Å; A126-R130 VanDerWaalsContact C-NH1 3.34Å; A126-R130 WeakPolarHBondContact O-CB 3.3Å; A126-R130 VanDerWaalsContact O-CG 3.31Å; A126-R130 WeakPolarHBondContact O-CG 3.31Å; A126-R130 PolarHBondContact O-N 2.81Å; A126-R130 PolarHBondContact O-NH1 2.83Å; R127-R130 PolarHBondContact O-N 2.87Å; R130-R134 WeakPolarHBondContact O-CG 3.39Å; R130-R134 PolarHBondContact O-N 3.44Å; R130-R134 VanDerWaalsContact O-N 3.15Å; R130-R134 PolarHBondContact O-NH1 3.48Å
131	L	97.2	Very high	95.2	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-46	172.8	175.1	68.4	0	0	0	110.5	E97 R127 E128 L129 D133 R134 C135	E97-L131 HydrophobicContact CG-CD1 4.15Å; R127-L131 PolarHBondContact O-N 3.12Å; E128-L131 WeakPolarHBondContact O-CB 3.17Å; E128-L131 PolarHBondContact O-N 3.28Å; L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 3.43Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 3.18Å; L131-R134 PolarHBondContact O-N 3.12Å; L131-C135 WeakPolarHBondContact O-CB 3.46Å; L131-C135 PolarHBondContact O-N 3.15Å; L131-C135 PolarHBondContact O-SG 3.18Å
132	C	97.7	Very high	95.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.3	-46.3	176.8	-62.7	0	0	0	0	111.2	E128 L129 R134 C135 L136 R149	E128-C132 PolarHBondContact O-N 3.16Å; E128-C132 PolarHBondContact O-SG 3.04Å; L129-C132 WeakPolarHBondContact O-CB 3.39Å; L129-C132 PolarHBondContact O-N 3.4Å; L129-C132 VanDerWaalsContact O-N 3.08Å; C132-R134 VanDerWaalsContact C-N 3.34Å; C132-R134 PolarHBondContact O-N 3.2Å; C132-C135 PolarHBondContact O-N 2.71Å; C132-L136 WeakPolarHBondContact O-CB 3.49Å; C132-L136 WeakPolarHBondContact O-CG 3.05Å; C132-L136 PolarHBondContact O-N 3.33Å; C132-R149 HydrophobicContact CB-CB 4.11Å; C132-R149 HydrophobicContact CB-CG 4.18Å
133	D	96.2	Very high	95.5	Very high	54 Å²	54	55.1 Å²	55.1	29%	0.289	27%	0.274	S	S	.	.	H	α-helix	trans	-56.7	-46.6	177	-67.9	-4	0	0	0	111.3	L129 L131 L136 S137 R149 F166	L129-D133 PolarHBondContact O-N 3.49Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 3.18Å; D133-L136 PolarHBondContact O-N 2.86Å; D133-S137 WeakPolarHBondContact O-CB 3.26Å; D133-S137 PolarHBondContact O-N 3.11Å; D133-S137 PolarHBondContact O-OG 3.29Å; D133-R149 IonicContact OD1-CZ 2.58Å; D133-R149 IonicContact OD1-NH1 2.73Å; D133-R149 PolarHBondContact OD1-NH1 2.88Å; D133-F166 VanDerWaalsContact OD1-CE2 3.3Å; D133-F166 WeakPolarHBondContact OD1-CE2 3.35Å
134	R	95.7	Very high	95.6	Very high	105 Å²	105	53.6 Å²	53.6	40%	0.396	26%	0.263	S	S	.	.	H	α-helix	trans	-64.3	-42	177	-70.6	-165.5	-52.8	-90.5	11.6	112.8	E97 R130 L131 C132 S137 L138	E97-R134 IonicContact OE1-CZ 2.74Å; E97-R134 IonicContact OE1-NH2 3.71Å; E97-R134 PolarHBondContact OE1-NH2 3.35Å; E97-R134 IonicContact OE2-NH2 3.71Å; R130-R134 WeakPolarHBondContact O-CG 3.39Å; R130-R134 PolarHBondContact O-N 3.44Å; R130-R134 VanDerWaalsContact O-N 3.15Å; R130-R134 PolarHBondContact O-NH1 3.48Å; L131-R134 PolarHBondContact O-N 3.12Å; C132-R134 VanDerWaalsContact C-N 3.34Å; C132-R134 PolarHBondContact O-N 3.2Å; R134-S137 PolarHBondContact O-N 2.82Å; R134-S137 PolarHBondContact O-OG 3.46Å; R134-L138 WeakPolarHBondContact O-CG 3.43Å; R134-L138 PolarHBondContact O-N 2.64Å
135	C	96.3	Very high	95.7	Very high	21 Å²	21	49.8 Å²	49.8	14%	0.142	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-41.8	179.6	-75.7	0	0	0	0	111.1	L131 C132 L138 D139 C145	L131-C135 WeakPolarHBondContact O-CB 3.46Å; L131-C135 PolarHBondContact O-N 3.15Å; L131-C135 PolarHBondContact O-SG 3.18Å; C132-C135 PolarHBondContact O-N 2.71Å; C135-L138 PolarHBondContact O-N 3.37Å; C135-D139 PolarHBondContact O-N 3.1Å; C135-C145 HydrophobicContact CB-CB 4.25Å; C135-C145 WeakPolarHBondContact CB-SG 3.15Å
136	L	95.6	Very high	95.7	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-73.4	-27.2	178	-66.7	176	0	0	0	112.6	C132 D133 L138 D139 D140 C145 W146 F166	C132-L136 WeakPolarHBondContact O-CB 3.49Å; C132-L136 WeakPolarHBondContact O-CG 3.05Å; C132-L136 PolarHBondContact O-N 3.33Å; D133-L136 PolarHBondContact O-N 2.86Å; L136-L138 PolarHBondContact O-N 2.89Å; L136-D139 CarbonylContact O-C 3.45Å; L136-D140 WeakPolarHBondContact O-CA 3.45Å; L136-D140 VanDerWaalsContact O-CB 3.28Å; L136-D140 WeakPolarHBondContact O-CB 3.3Å; L136-D140 PolarHBondContact O-N 3.03Å; L136-D140 VanDerWaalsContact O-N 3.08Å; L136-C145 HydrophobicContact CD2-CB 3.91Å; L136-C145 HydrophobicContact CG-CB 4.32Å; L136-W146 HydrophobicContact CD1-CD2 4.07Å; L136-W146 HydrophobicContact CD1-CE3 4.31Å; L136-W146 HydrophobicContact CD1-CH2 4.46Å; L136-W146 HydrophobicContact CD1-CZ2 4.18Å; L136-W146 HydrophobicContact CD1-CZ3 4.47Å; L136-W146 HydrophobicContact CD2-CD2 4.24Å; L136-W146 HydrophobicContact CD2-CG 4.1Å; L136-W146 VanDerWaalsContact CD2-NE1 3.34Å; L136-F166 HydrophobicContact CD1-CE1 4.14Å; L136-F166 HydrophobicContact CD1-CZ 3.81Å
137	S	93.8	Very high	95.8	Very high	97 Å²	97	48.6 Å²	48.6	68%	0.678	23%	0.233	S	C	*	.	H	α-helix	trans	-68.5	-20	170.3	69.7	0	0	0	0	113.3	D133 R134	D133-S137 WeakPolarHBondContact O-CB 3.26Å; D133-S137 PolarHBondContact O-N 3.11Å; D133-S137 PolarHBondContact O-OG 3.29Å; R134-S137 PolarHBondContact O-N 2.82Å; R134-S137 PolarHBondContact O-OG 3.46Å
138	L	93.1	Very high	95.9	Very high	155 Å²	155	46.3 Å²	46.3	81%	0.812	23%	0.225	S	C	*	.	H	α-helix	trans	-93.6	-39.3	177.9	-67.4	171.4	0	0	0	112.7	R134 C135 L136	R134-L138 WeakPolarHBondContact O-CG 3.43Å; R134-L138 PolarHBondContact O-N 2.64Å; C135-L138 PolarHBondContact O-N 3.37Å; L136-L138 PolarHBondContact O-N 2.89Å
139	D	93.2	Very high	95.9	Very high	42 Å²	42	46.5 Å²	46.5	23%	0.225	23%	0.225	C	C	.	.			trans	-145.1	92.2	175	-178	-3.6	0	0	0	108.2	K105 C135 L136 R141 N142	K105-D139 WeakPolarHBondContact CE-OD2 3.37Å; K105-D139 IonicContact NZ-OD2 2.72Å; K105-D139 PolarHBondContact NZ-OD2 3.21Å; C135-D139 PolarHBondContact O-N 3.1Å; L136-D139 CarbonylContact O-C 3.45Å; D139-R141 PolarHBondContact O-N 2.83Å; D139-R141 VanDerWaalsContact O-N 3.17Å; D139-R141 PolarHBondContact OD1-N 3.2Å; D139-R141 VanDerWaalsContact OD1-N 3.15Å; D139-N142 HydrophobicContact CB-CB 4.1Å; D139-N142 VanDerWaalsContact O-CB 3.26Å; D139-N142 WeakPolarHBondContact O-CB 3.35Å; D139-N142 PolarHBondContact O-N 3.04Å; D139-N142 PolarHBondContact OD1-N 2.9Å
140	D	92.1	Very high	95.9	Very high	35 Å²	35	49.2 Å²	49.2	19%	0.187	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-7	-177.5	72.9	-12.6	0	0	0	113	L136 W146 N174 N177 S179	L136-D140 WeakPolarHBondContact O-CA 3.45Å; L136-D140 VanDerWaalsContact O-CB 3.28Å; L136-D140 WeakPolarHBondContact O-CB 3.3Å; L136-D140 PolarHBondContact O-N 3.03Å; L136-D140 VanDerWaalsContact O-N 3.08Å; D140-W146 PolarHBondContact O-NE1 2.82Å; D140-N174 PolarHBondContact OD2-ND2 2.91Å; D140-N177 WeakPolarHBondContact CB-ND2 3.45Å; D140-N177 PolarHBondContact OD2-ND2 2.76Å; D140-N177 VanDerWaalsContact OD2-ND2 3.11Å; D140-S179 PolarHBondContact O-OG 3.22Å
141	R	91.8	Very high	95.8	Very high	107 Å²	107	45.7 Å²	45.7	40%	0.404	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	3.2	173.8	-49.1	-55.8	-70.8	-104.9	-15.8	112.9	D139 F143 S176 Y178	D139-R141 PolarHBondContact O-N 2.83Å; D139-R141 VanDerWaalsContact O-N 3.17Å; D139-R141 PolarHBondContact OD1-N 3.2Å; D139-R141 VanDerWaalsContact OD1-N 3.15Å; R141-F143 PolarHBondContact O-N 2.75Å; R141-S176 PolarHBondContact NH1-O 3.26Å; R141-Y178 VanDerWaalsContact CZ-CB 3.44Å
142	N	95.4	Very high	95.8	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	22%	0.222	C	C	.	.			trans	-70.9	91.8	178.6	-173.3	-6.8	0	0	0	111.5	P104 D139 H144 C145 W146	P104-N142 PolarHBondContact O-ND2 3.24Å; D139-N142 HydrophobicContact CB-CB 4.1Å; D139-N142 VanDerWaalsContact O-CB 3.26Å; D139-N142 WeakPolarHBondContact O-CB 3.35Å; D139-N142 PolarHBondContact O-N 3.04Å; D139-N142 PolarHBondContact OD1-N 2.9Å; N142-H144 PolarHBondContact O-N 3.21Å; N142-H144 WeakPolarHBondContact OD1-CB 3.4Å; N142-H144 PolarHBondContact OD1-CD2 2.64Å; N142-H144 PolarHBondContact OD1-N 2.88Å; N142-C145 HydrophobicContact CB-CB 4.18Å; N142-C145 WeakPolarHBondContact O-CB 3.39Å; N142-C145 PolarHBondContact O-N 3.34Å; N142-W146 PolarHBondContact O-N 2.7Å
143	F	95.7	Very high	95.7	Very high	92 Å²	92	46.3 Å²	46.3	40%	0.404	23%	0.227	S	C	.	.	H	α-helix	trans	-59.6	-30.4	-178.5	76.8	-91.2	0	0	0	113.1	Y107 R141 C145 W146 D147	Y107-F143 HydrophobicContact CE1-CE2 4.47Å; Y107-F143 WeakPolarHBondContact OH-CZ 3.24Å; R141-F143 PolarHBondContact O-N 2.75Å; F143-C145 VanDerWaalsContact C-N 3.29Å; F143-C145 PolarHBondContact O-N 2.82Å; F143-W146 WeakPolarHBondContact O-CB 3.22Å; F143-W146 PolarHBondContact O-N 2.79Å; F143-D147 WeakPolarHBondContact O-CB 3.42Å; F143-D147 PolarHBondContact O-N 3.28Å; F143-D147 VanDerWaalsContact O-OD1 3.08Å
144	H	97.6	Very high	95.6	Very high	12 Å²	12	52 Å²	52	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-39.1	176.1	-57.3	-84	0	0	0	112.2	K105 Y107 W110 N142 D147 Y148	K105-H144 PolarHBondContact O-NE2 2.96Å; Y107-H144 AromaticContact CD1-CE1 3.69Å; Y107-H144 AromaticContact CD1-ND1 3.97Å; Y107-H144 AromaticContact CD2-CE1 3.73Å; Y107-H144 AromaticContact CE1-CE1 3.51Å; Y107-H144 AromaticContact CE1-ND1 3.95Å; Y107-H144 AromaticContact CE2-CE1 3.55Å; Y107-H144 AromaticContact CG-CE1 3.81Å; Y107-H144 AromaticContact CZ-CE1 3.44Å; Y107-H144 VanDerWaalsContact CZ-CE1 3.44Å; W110-H144 AromaticContact CD1-CG 3.91Å; W110-H144 HydrophobicContact CD2-CB 4.29Å; W110-H144 HydrophobicContact CG-CB 3.91Å; N142-H144 PolarHBondContact O-N 3.21Å; N142-H144 WeakPolarHBondContact OD1-CB 3.4Å; N142-H144 PolarHBondContact OD1-CD2 2.64Å; N142-H144 PolarHBondContact OD1-N 2.88Å; H144-D147 PolarHBondContact O-N 2.72Å; H144-Y148 WeakPolarHBondContact O-CB 3.44Å; H144-Y148 PolarHBondContact O-N 2.93Å
145	C	98	Very high	95.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.7	-38.3	176.3	-171.2	0	0	0	0	111.2	W110 C135 L136 N142 F143 Y148 R149	W110-C145 HydrophobicContact CH2-CB 3.93Å; W110-C145 HydrophobicContact CZ2-CB 3.84Å; C135-C145 HydrophobicContact CB-CB 4.25Å; C135-C145 WeakPolarHBondContact CB-SG 3.15Å; L136-C145 HydrophobicContact CD2-CB 3.91Å; L136-C145 HydrophobicContact CG-CB 4.32Å; N142-C145 HydrophobicContact CB-CB 4.18Å; N142-C145 WeakPolarHBondContact O-CB 3.39Å; N142-C145 PolarHBondContact O-N 3.34Å; F143-C145 VanDerWaalsContact C-N 3.29Å; F143-C145 PolarHBondContact O-N 2.82Å; C145-Y148 PolarHBondContact O-N 3.41Å; C145-R149 WeakPolarHBondContact O-CB 3.44Å; C145-R149 PolarHBondContact O-N 3.19Å
146	W	97.6	Very high	95.4	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.019	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-44.3	173.2	-79.3	106.5	0	0	0	112.2	L136 D140 N142 F143 R149 R150 F166 L170 S179 Y183	L136-W146 HydrophobicContact CD1-CD2 4.07Å; L136-W146 HydrophobicContact CD1-CE3 4.31Å; L136-W146 HydrophobicContact CD1-CH2 4.46Å; L136-W146 HydrophobicContact CD1-CZ2 4.18Å; L136-W146 HydrophobicContact CD1-CZ3 4.47Å; L136-W146 HydrophobicContact CD2-CD2 4.24Å; L136-W146 HydrophobicContact CD2-CG 4.1Å; L136-W146 VanDerWaalsContact CD2-NE1 3.34Å; D140-W146 PolarHBondContact O-NE1 2.82Å; N142-W146 PolarHBondContact O-N 2.7Å; F143-W146 WeakPolarHBondContact O-CB 3.22Å; F143-W146 PolarHBondContact O-N 2.79Å; W146-R149 PolarHBondContact O-N 2.99Å; W146-R150 WeakPolarHBondContact O-CG 3.21Å; W146-R150 PolarHBondContact O-N 3.17Å; W146-R150 PolarHBondContact O-NH1 3.36Å; W146-F166 HydrophobicContact CH2-CD1 4.37Å; W146-F166 AromaticContact CH2-CE1 3.71Å; W146-F166 HydrophobicContact CH2-CE1 3.71Å; W146-F166 HydrophobicContact CZ3-CD1 4.27Å; W146-F166 AromaticContact CZ3-CE1 3.69Å; W146-F166 HydrophobicContact CZ3-CE1 3.69Å; W146-L170 HydrophobicContact CH2-CD1 3.46Å; W146-L170 VanDerWaalsContact CH2-CD1 3.46Å; W146-L170 HydrophobicContact CZ2-CD1 3.61Å; W146-S179 VanDerWaalsContact CE2-CB 3.42Å; W146-Y183 HydrophobicContact CE3-CD1 4.03Å; W146-Y183 HydrophobicContact CE3-CG 4.36Å; W146-Y183 HydrophobicContact CH2-CD1 4.3Å; W146-Y183 AromaticContact CZ3-CD1 3.39Å; W146-Y183 HydrophobicContact CZ3-CD1 3.39Å; W146-Y183 HydrophobicContact CZ3-CE1 4.04Å; W146-Y183 HydrophobicContact CZ3-CG 4.01Å
147	D	97.6	Very high	95.3	Very high	71 Å²	71	56.9 Å²	56.9	38%	0.38	29%	0.29	S	S	.	.	H	α-helix	trans	-61.8	-46.2	176.3	-66.4	1.3	0	0	0	111	F143 H144 R150 M151	F143-D147 WeakPolarHBondContact O-CB 3.42Å; F143-D147 PolarHBondContact O-N 3.28Å; F143-D147 VanDerWaalsContact O-OD1 3.08Å; H144-D147 PolarHBondContact O-N 2.72Å; D147-R150 PolarHBondContact O-N 3.42Å; D147-R150 IonicContact OD1-CZ 3.16Å; D147-R150 IonicContact OD1-NH1 3.8Å; D147-R150 IonicContact OD1-NH2 3.89Å; D147-R150 PolarHBondContact OD1-NH2 3.02Å; D147-M151 PolarHBondContact O-N 3.24Å; D147-M151 VanDerWaalsContact O-N 3.07Å
148	Y	98	Very high	95.3	Very high	10 Å²	10	53.5 Å²	53.5	4%	0.039	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-43	176.7	-174.6	-103	0	0	0	111.8	W110 R113 S117 E128 H144 C145 R150 M151 V152	W110-Y148 AromaticContact CE3-CD1 3.95Å; W110-Y148 HydrophobicContact CE3-CD1 3.95Å; W110-Y148 AromaticContact CE3-CD2 3.88Å; W110-Y148 HydrophobicContact CE3-CD2 3.88Å; W110-Y148 AromaticContact CE3-CG 3.51Å; W110-Y148 HydrophobicContact CE3-CG 3.51Å; W110-Y148 AromaticContact CZ3-CD1 3.45Å; W110-Y148 HydrophobicContact CZ3-CD1 3.45Å; W110-Y148 VanDerWaalsContact CZ3-CD1 3.45Å; W110-Y148 HydrophobicContact CZ3-CD2 4.25Å; W110-Y148 HydrophobicContact CZ3-CE1 4.13Å; W110-Y148 AromaticContact CZ3-CG 3.52Å; W110-Y148 HydrophobicContact CZ3-CG 3.52Å; R113-Y148 HydrophobicContact CB-CE2 4.18Å; R113-Y148 HydrophobicContact CG-CE2 4.01Å; R113-Y148 WeakPolarHBondContact CG-OH 3.28Å; R113-Y148 PolarHBondContact NE-OH 3.33Å; S117-Y148 PolarHBondContact OG-OH 3.01Å; E128-Y148 HydrophobicContact CB-CE1 4.4Å; E128-Y148 WeakPolarHBondContact OE2-CE1 3.3Å; E128-Y148 PolarHBondContact OE2-OH 3.14Å; H144-Y148 WeakPolarHBondContact O-CB 3.44Å; H144-Y148 PolarHBondContact O-N 2.93Å; C145-Y148 PolarHBondContact O-N 3.41Å; Y148-R150 PolarHBondContact O-N 3.4Å; Y148-M151 HydrophobicContact CD2-CE 3.65Å; Y148-M151 HydrophobicContact CD2-SD 4.39Å; Y148-M151 HydrophobicContact CE2-CE 3.33Å; Y148-M151 HydrophobicContact CE2-SD 4.33Å; Y148-M151 HydrophobicContact CG-CE 4.4Å; Y148-M151 WeakPolarHBondContact O-CB 3.24Å; Y148-M151 PolarHBondContact O-N 3.19Å; Y148-V152 HydrophobicContact CD1-CG2 3.99Å; Y148-V152 HydrophobicContact CE1-CG2 3.6Å; Y148-V152 HydrophobicContact CE2-CG2 4.5Å; Y148-V152 WeakPolarHBondContact O-CG2 3.43Å; Y148-V152 PolarHBondContact O-N 3.29Å
149	R	97.8	Very high	95.4	Very high	9 Å²	9	49.3 Å²	49.3	3%	0.034	25%	0.247	C	C	.	.	H	α-helix	trans	-57.8	-46.9	174.9	-172.7	-176	-179.3	88.6	4.8	111.2	L129 C132 D133 C145 W146 M151 V152 V153 E163	L129-R149 HydrophobicContact CD2-CG 4.29Å; C132-R149 HydrophobicContact CB-CB 4.11Å; C132-R149 HydrophobicContact CB-CG 4.18Å; D133-R149 IonicContact OD1-CZ 2.58Å; D133-R149 IonicContact OD1-NH1 2.73Å; D133-R149 PolarHBondContact OD1-NH1 2.88Å; C145-R149 WeakPolarHBondContact O-CB 3.44Å; C145-R149 PolarHBondContact O-N 3.19Å; W146-R149 PolarHBondContact O-N 2.99Å; R149-M151 VanDerWaalsContact C-N 3.28Å; R149-M151 PolarHBondContact O-N 3.19Å; R149-V152 PolarHBondContact O-N 2.96Å; R149-V152 VanDerWaalsContact O-N 3.1Å; R149-V153 HydrophobicContact CG-CG2 4.29Å; R149-V153 WeakPolarHBondContact O-CB 3.29Å; R149-V153 VanDerWaalsContact O-CG2 3.31Å; R149-V153 WeakPolarHBondContact O-CG2 3.14Å; R149-V153 PolarHBondContact O-N 3.07Å; R149-E163 IonicContact CZ-OE1 2.69Å; R149-E163 IonicContact CZ-OE2 2.7Å; R149-E163 IonicContact NE-OE1 2.66Å; R149-E163 IonicContact NE-OE2 3.77Å; R149-E163 PolarHBondContact NE-OE2 3.46Å; R149-E163 IonicContact NH2-OE1 3.76Å; R149-E163 PolarHBondContact NH2-OE1 3.3Å; R149-E163 IonicContact NH2-OE2 3.52Å
150	R	96.4	Very high	95.5	Very high	85 Å²	85	49.5 Å²	49.5	32%	0.321	25%	0.25	S	C	.	.	H	α-helix	trans	-59.8	-38.6	177.5	-71.3	-166.2	-59.9	-83.6	6.2	112.3	W146 D147 Y148 K154 Y183	W146-R150 WeakPolarHBondContact O-CG 3.21Å; W146-R150 PolarHBondContact O-N 3.17Å; W146-R150 PolarHBondContact O-NH1 3.36Å; D147-R150 PolarHBondContact O-N 3.42Å; D147-R150 IonicContact OD1-CZ 3.16Å; D147-R150 IonicContact OD1-NH1 3.8Å; D147-R150 IonicContact OD1-NH2 3.89Å; D147-R150 PolarHBondContact OD1-NH2 3.02Å; Y148-R150 PolarHBondContact O-N 3.4Å; R150-K154 WeakPolarHBondContact O-CB 3.35Å; R150-K154 PolarHBondContact O-N 3.32Å; R150-Y183 VanDerWaalsContact CD-CE2 3.48Å; R150-Y183 HydrophobicContact CG-CD2 4.31Å; R150-Y183 HydrophobicContact CG-CE2 3.58Å
151	M	96.1	Very high	95.7	Very high	50 Å²	50	54.2 Å²	54.2	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-48.5	172.3	179.4	-140.9	63.1	0	0	111.4	D147 Y148 R149 V153 K154 M155	D147-M151 PolarHBondContact O-N 3.24Å; D147-M151 VanDerWaalsContact O-N 3.07Å; Y148-M151 HydrophobicContact CD2-CE 3.65Å; Y148-M151 HydrophobicContact CD2-SD 4.39Å; Y148-M151 HydrophobicContact CE2-CE 3.33Å; Y148-M151 HydrophobicContact CE2-SD 4.33Å; Y148-M151 HydrophobicContact CG-CE 4.4Å; Y148-M151 WeakPolarHBondContact O-CB 3.24Å; Y148-M151 PolarHBondContact O-N 3.19Å; R149-M151 VanDerWaalsContact C-N 3.28Å; R149-M151 PolarHBondContact O-N 3.19Å; M151-V153 PolarHBondContact O-N 3.41Å; M151-K154 PolarHBondContact O-N 2.95Å; M151-M155 HydrophobicContact CG-CG 4.45Å; M151-M155 VanDerWaalsContact O-CG 3.32Å; M151-M155 WeakPolarHBondContact O-CG 3.26Å; M151-M155 PolarHBondContact O-N 3.37Å
152	V	96.7	Very high	95.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-46.5	178.4	172.3	0	0	0	0	111.4	W125 E128 L129 Y148 R149 K154 M155 S156	W125-V152 HydrophobicContact CE3-CG1 3.94Å; W125-V152 HydrophobicContact CE3-CG2 4.48Å; E128-V152 HydrophobicContact CB-CG1 4.05Å; E128-V152 HydrophobicContact CB-CG2 3.91Å; L129-V152 HydrophobicContact CD2-CB 4.37Å; L129-V152 HydrophobicContact CD2-CG1 3.7Å; L129-V152 HydrophobicContact CG-CG1 3.78Å; Y148-V152 HydrophobicContact CD1-CG2 3.99Å; Y148-V152 HydrophobicContact CE1-CG2 3.6Å; Y148-V152 HydrophobicContact CE2-CG2 4.5Å; Y148-V152 WeakPolarHBondContact O-CG2 3.43Å; Y148-V152 PolarHBondContact O-N 3.29Å; R149-V152 PolarHBondContact O-N 2.96Å; R149-V152 VanDerWaalsContact O-N 3.1Å; V152-K154 VanDerWaalsContact C-N 3.31Å; V152-K154 PolarHBondContact O-N 2.91Å; V152-M155 PolarHBondContact O-N 3.13Å; V152-S156 WeakPolarHBondContact O-CB 3.35Å; V152-S156 PolarHBondContact O-N 3.38Å; V152-S156 PolarHBondContact O-OG 2.89Å
153	V	96.1	Very high	96	Very high	17 Å²	17	54 Å²	54	10%	0.103	27%	0.272	C	S	.	.	H	α-helix	trans	-55.8	-46.7	176	163.8	0	0	0	0	110.9	L129 R149 M151 M155 S156 S157 V158 E163	L129-V153 HydrophobicContact CD2-CG2 4.17Å; R149-V153 HydrophobicContact CG-CG2 4.29Å; R149-V153 WeakPolarHBondContact O-CB 3.29Å; R149-V153 VanDerWaalsContact O-CG2 3.31Å; R149-V153 WeakPolarHBondContact O-CG2 3.14Å; R149-V153 PolarHBondContact O-N 3.07Å; M151-V153 PolarHBondContact O-N 3.41Å; V153-M155 PolarHBondContact O-N 2.91Å; V153-S156 PolarHBondContact O-N 2.95Å; V153-S156 PolarHBondContact O-OG 3.04Å; V153-S157 PolarHBondContact O-N 2.98Å; V153-V158 HydrophobicContact CG1-CB 4.15Å; V153-V158 HydrophobicContact CG2-CB 4.43Å; V153-V158 PolarHBondContact O-N 3.34Å; V153-E163 HydrophobicContact CB-CG 4.46Å; V153-E163 HydrophobicContact CG1-CG 3.89Å; V153-E163 HydrophobicContact CG2-CG 3.69Å; V153-E163 WeakPolarHBondContact CG2-OE2 3.49Å
154	K	93.9	Very high	96	Very high	173 Å²	173	50.3 Å²	50.3	75%	0.752	26%	0.257	S	S	*	.	H	α-helix	trans	-62.8	-42	178	-176.4	178.1	179.2	178.6	0	112.3	R150 M151 V152	R150-K154 WeakPolarHBondContact O-CB 3.35Å; R150-K154 PolarHBondContact O-N 3.32Å; M151-K154 PolarHBondContact O-N 2.95Å; V152-K154 VanDerWaalsContact C-N 3.31Å; V152-K154 PolarHBondContact O-N 2.91Å
155	M	93.5	Very high	95.9	Very high	100 Å²	100	54 Å²	54	49%	0.493	27%	0.274	S	S	.	.	H	α-helix	trans	-75.6	-27.2	-178.3	-66	-61	-167.6	0	0	113.4	W125 M151 V152 V153	W125-M155 HydrophobicContact CH2-CB 3.69Å; W125-M155 HydrophobicContact CH2-CG 4.19Å; W125-M155 HydrophobicContact CZ2-CB 3.66Å; W125-M155 HydrophobicContact CZ3-CB 4.2Å; M151-M155 HydrophobicContact CG-CG 4.45Å; M151-M155 VanDerWaalsContact O-CG 3.32Å; M151-M155 WeakPolarHBondContact O-CG 3.26Å; M151-M155 PolarHBondContact O-N 3.37Å; V152-M155 PolarHBondContact O-N 3.13Å; V153-M155 PolarHBondContact O-N 2.91Å
156	S	94.4	Very high	95.8	Very high	31 Å²	31	54.4 Å²	54.4	22%	0.217	28%	0.275	C	S	.	.	H	α-helix	trans	-97.5	-1.4	-178.7	58.6	0	0	0	0	114	W125 V152 V153 V158	W125-S156 VanDerWaalsContact CG-CB 3.49Å; V152-S156 WeakPolarHBondContact O-CB 3.35Å; V152-S156 PolarHBondContact O-N 3.38Å; V152-S156 PolarHBondContact O-OG 2.89Å; V153-S156 PolarHBondContact O-N 2.95Å; V153-S156 PolarHBondContact O-OG 3.04Å; S156-V158 PolarHBondContact O-N 3.31Å; S156-V158 WeakPolarHBondContact OG-CG2 3.12Å
157	S	93.2	Very high	95.8	Very high	101 Å²	101	54.1 Å²	54.1	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	35.9	-177.8	-57.5	0	0	0	0	113.5	V153	V153-S157 PolarHBondContact O-N 2.98Å
158	V	94	Very high	95.6	Very high	25 Å²	25	53.8 Å²	53.8	15%	0.152	27%	0.273	C	S	.	.			trans	-60.6	128.9	173.9	167.9	0	0	0	0	108.9	L129 V153 S156 V160 Q162 E163	L129-V158 HydrophobicContact CD1-CG2 3.94Å; V153-V158 HydrophobicContact CG1-CB 4.15Å; V153-V158 HydrophobicContact CG2-CB 4.43Å; V153-V158 PolarHBondContact O-N 3.34Å; S156-V158 PolarHBondContact O-N 3.31Å; S156-V158 WeakPolarHBondContact OG-CG2 3.12Å; V158-V160 PolarHBondContact O-N 2.84Å; V158-Q162 HydrophobicContact CG1-CB 4Å; V158-E163 HydrophobicContact CG1-CG 4.08Å
159	P	95.6	Very high	95.4	Very high	68 Å²	68	61 Å²	61	44%	0.442	30%	0.3	S	S	.	.			trans	-58.9	137	178.8	-25.3	34.1	0	0	0	112	K161 Q162 E163	P159-K161 PolarHBondContact O-N 3.27Å; P159-K161 VanDerWaalsContact O-N 3.08Å; P159-Q162 HydrophobicContact CB-CG 4.37Å; P159-Q162 WeakPolarHBondContact O-CB 3.29Å; P159-Q162 PolarHBondContact O-N 3.45Å; P159-E163 PolarHBondContact O-N 3.4Å
160	V	94.5	Very high	95.2	Very high	46 Å²	46	61.7 Å²	61.7	28%	0.279	30%	0.304	S	S	.	.	H	α-helix	trans	-53.7	-35.1	179.8	-173.7	0	0	0	0	111.8	V158 Q162 E163 L164 L187 L190 L191	V158-V160 PolarHBondContact O-N 2.84Å; V160-Q162 VanDerWaalsContact C-N 3.33Å; V160-Q162 PolarHBondContact O-N 2.88Å; V160-E163 PolarHBondContact O-N 3.3Å; V160-E163 VanDerWaalsContact O-N 3.17Å; V160-L164 PolarHBondContact O-N 3.45Å; V160-L187 HydrophobicContact CG1-CB 4.14Å; V160-L187 HydrophobicContact CG1-CD2 3.66Å; V160-L187 HydrophobicContact CG1-CG 4.49Å; V160-L190 HydrophobicContact CG1-CB 4.25Å; V160-L191 HydrophobicContact CB-CD1 4.26Å; V160-L191 HydrophobicContact CB-CD2 3.85Å; V160-L191 HydrophobicContact CB-CG 3.91Å; V160-L191 HydrophobicContact CG1-CD1 3.79Å; V160-L191 HydrophobicContact CG1-CD2 4.12Å; V160-L191 HydrophobicContact CG1-CG 3.59Å
161	K	95.4	Very high	95	Very high	133 Å²	133	58.1 Å²	58.1	58%	0.578	29%	0.291	S	S	*	.	H	α-helix	trans	-58	-41	175.9	-174.3	179.4	176.6	-178.2	0	113	P159 E163 L164 E165 L191	P159-K161 PolarHBondContact O-N 3.27Å; P159-K161 VanDerWaalsContact O-N 3.08Å; K161-E163 VanDerWaalsContact C-N 3.31Å; K161-E163 PolarHBondContact O-N 2.65Å; K161-L164 PolarHBondContact O-N 3.03Å; K161-E165 WeakPolarHBondContact CE-OE1 3.14Å; K161-E165 WeakPolarHBondContact O-CG 3.46Å; K161-E165 PolarHBondContact O-N 3.38Å; K161-L191 HydrophobicContact CB-CD1 4.48Å; K161-L191 HydrophobicContact CB-CD2 4.32Å
162	Q	96.3	Very high	94.6	Very high	102 Å²	102	59.2 Å²	59.2	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-68.2	-33	178.9	-66.5	-178.6	14.6	0	0	111.8	V158 P159 V160 E165 F166	V158-Q162 HydrophobicContact CG1-CB 4Å; P159-Q162 HydrophobicContact CB-CG 4.37Å; P159-Q162 WeakPolarHBondContact O-CB 3.29Å; P159-Q162 PolarHBondContact O-N 3.45Å; V160-Q162 VanDerWaalsContact C-N 3.33Å; V160-Q162 PolarHBondContact O-N 2.88Å; Q162-E165 PolarHBondContact O-N 3.43Å; Q162-F166 PolarHBondContact O-N 2.59Å
163	E	96.9	Very high	94.2	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.019	35%	0.346	C	S	.	.	H	α-helix	trans	-73.5	-31.8	174.5	-72.1	-60.1	107.6	0	0	112.2	R149 V153 V158 P159 V160 K161 F166 T167 Y183 L187	R149-E163 IonicContact CZ-OE1 2.69Å; R149-E163 IonicContact CZ-OE2 2.7Å; R149-E163 IonicContact NE-OE1 2.66Å; R149-E163 IonicContact NE-OE2 3.77Å; R149-E163 PolarHBondContact NE-OE2 3.46Å; R149-E163 IonicContact NH2-OE1 3.76Å; R149-E163 PolarHBondContact NH2-OE1 3.3Å; R149-E163 IonicContact NH2-OE2 3.52Å; V153-E163 HydrophobicContact CB-CG 4.46Å; V153-E163 HydrophobicContact CG1-CG 3.89Å; V153-E163 HydrophobicContact CG2-CG 3.69Å; V153-E163 WeakPolarHBondContact CG2-OE2 3.49Å; V158-E163 HydrophobicContact CG1-CG 4.08Å; P159-E163 PolarHBondContact O-N 3.4Å; V160-E163 PolarHBondContact O-N 3.3Å; V160-E163 VanDerWaalsContact O-N 3.17Å; K161-E163 VanDerWaalsContact C-N 3.31Å; K161-E163 PolarHBondContact O-N 2.65Å; E163-F166 WeakPolarHBondContact O-CB 3.31Å; E163-F166 PolarHBondContact O-N 3.01Å; E163-T167 PolarHBondContact O-N 2.8Å; E163-Y183 HydrophobicContact CB-CE1 4.09Å; E163-Y183 HydrophobicContact CG-CE1 4.48Å; E163-Y183 WeakPolarHBondContact OE2-CE1 3.21Å; E163-Y183 PolarHBondContact OE2-OH 2.99Å; E163-L187 HydrophobicContact CB-CD1 3.96Å; E163-L187 HydrophobicContact CB-CD2 4.15Å
164	L	95.9	Very high	93.8	Very high	15 Å²	15	65.2 Å²	65.2	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-46.5	170.4	-167.2	67.5	0	0	0	110.6	V160 K161 F166 T167 D168 R184 L187 L188 L191	V160-L164 PolarHBondContact O-N 3.45Å; K161-L164 PolarHBondContact O-N 3.03Å; L164-F166 PolarHBondContact O-N 3.47Å; L164-T167 WeakPolarHBondContact O-CA 3.23Å; L164-T167 PolarHBondContact O-N 3.43Å; L164-T167 PolarHBondContact O-OG1 3.08Å; L164-D168 PolarHBondContact O-N 3.03Å; L164-R184 HydrophobicContact CD1-CG 4.11Å; L164-L187 HydrophobicContact CD1-CB 4.26Å; L164-L187 HydrophobicContact CD1-CD1 4.44Å; L164-L188 HydrophobicContact CD1-CD2 4.03Å; L164-L188 HydrophobicContact CD1-CG 4.19Å; L164-L188 HydrophobicContact CD2-CD2 3.89Å; L164-L191 HydrophobicContact CB-CD1 4.14Å; L164-L191 HydrophobicContact CD2-CD1 3.85Å
165	E	96.3	Very high	93.2	Very high	90 Å²	90	59.7 Å²	59.7	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-59.2	-33.7	173.4	-70.2	167.8	-170.6	0	0	112.4	K161 Q162 D168 R169	K161-E165 WeakPolarHBondContact CE-OE1 3.14Å; K161-E165 WeakPolarHBondContact O-CG 3.46Å; K161-E165 PolarHBondContact O-N 3.38Å; Q162-E165 PolarHBondContact O-N 3.43Å; E165-D168 WeakPolarHBondContact CA-OD2 3.32Å; E165-D168 PolarHBondContact O-N 3.33Å; E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 2.63Å; E165-R169 VanDerWaalsContact O-N 3.13Å
166	F	96.1	Very high	92.8	Very high	7 Å²	7	56.8 Å²	56.8	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-43.9	171.7	172.5	-106.5	0	0	0	111.9	D133 L136 W146 Q162 E163 L164 D168 R169 L170	D133-F166 VanDerWaalsContact OD1-CE2 3.3Å; D133-F166 WeakPolarHBondContact OD1-CE2 3.35Å; L136-F166 HydrophobicContact CD1-CE1 4.14Å; L136-F166 HydrophobicContact CD1-CZ 3.81Å; W146-F166 HydrophobicContact CH2-CD1 4.37Å; W146-F166 AromaticContact CH2-CE1 3.71Å; W146-F166 HydrophobicContact CH2-CE1 3.71Å; W146-F166 HydrophobicContact CZ3-CD1 4.27Å; W146-F166 AromaticContact CZ3-CE1 3.69Å; W146-F166 HydrophobicContact CZ3-CE1 3.69Å; Q162-F166 PolarHBondContact O-N 2.59Å; E163-F166 WeakPolarHBondContact O-CB 3.31Å; E163-F166 PolarHBondContact O-N 3.01Å; L164-F166 PolarHBondContact O-N 3.47Å; F166-D168 VanDerWaalsContact C-N 3.34Å; F166-R169 PolarHBondContact O-N 3.17Å; F166-L170 HydrophobicContact CD1-CD1 4.16Å; F166-L170 HydrophobicContact CE1-CD1 3.46Å; F166-L170 VanDerWaalsContact CE1-CD1 3.46Å; F166-L170 HydrophobicContact CE1-CG 4.33Å; F166-L170 HydrophobicContact CE2-CD1 4.16Å; F166-L170 HydrophobicContact CE2-CG 4.28Å; F166-L170 HydrophobicContact CZ-CD1 3.48Å; F166-L170 VanDerWaalsContact CZ-CD1 3.48Å; F166-L170 HydrophobicContact CZ-CD2 4.47Å; F166-L170 HydrophobicContact CZ-CG 4.08Å; F166-L170 PolarHBondContact O-N 3.36Å; F166-L170 VanDerWaalsContact O-N 3.15Å
167	T	96.1	Very high	92.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-35.5	174.9	65	0	0	0	0	112.7	E163 L164 R169 L170 I171 Y183 R184 L187	E163-T167 PolarHBondContact O-N 2.8Å; L164-T167 WeakPolarHBondContact O-CA 3.23Å; L164-T167 PolarHBondContact O-N 3.43Å; L164-T167 PolarHBondContact O-OG1 3.08Å; T167-R169 VanDerWaalsContact C-N 3.33Å; T167-R169 PolarHBondContact O-N 3.32Å; T167-L170 PolarHBondContact O-N 3.44Å; T167-I171 WeakPolarHBondContact O-CG1 3.41Å; T167-I171 PolarHBondContact O-N 2.92Å; T167-Y183 HydrophobicContact CG2-CD1 3.66Å; T167-Y183 HydrophobicContact CG2-CG 4.31Å; T167-R184 HydrophobicContact CG2-CG 4.03Å; T167-R184 WeakPolarHBondContact OG1-CG 3.27Å; T167-R184 PolarHBondContact OG1-NH1 3.34Å; T167-L187 HydrophobicContact CG2-CD1 4.21Å
168	D	94.4	Very high	92.3	Very high	64 Å²	64	55.2 Å²	55.2	34%	0.342	29%	0.294	S	S	.	.	H	α-helix	trans	-58.2	-46.6	174.5	-66.5	-37.4	0	0	0	110.7	L164 E165 F166 L170 I171 G172 R184	L164-D168 PolarHBondContact O-N 3.03Å; E165-D168 WeakPolarHBondContact CA-OD2 3.32Å; E165-D168 PolarHBondContact O-N 3.33Å; F166-D168 VanDerWaalsContact C-N 3.34Å; D168-L170 VanDerWaalsContact C-N 3.34Å; D168-L170 PolarHBondContact O-N 3.18Å; D168-I171 PolarHBondContact O-N 2.93Å; D168-G172 PolarHBondContact O-N 3.49Å; D168-R184 IonicContact OD1-CZ 3.47Å; D168-R184 VanDerWaalsContact OD1-CZ 3.29Å; D168-R184 IonicContact OD1-NH1 3.05Å; D168-R184 PolarHBondContact OD1-NH1 2.92Å; D168-R184 IonicContact OD1-NH2 3.68Å; D168-R184 PolarHBondContact OD1-NH2 3.35Å
169	R	94.3	Very high	92.4	Very high	160 Å²	160	55 Å²	55	60%	0.604	29%	0.293	S	S	*	.	H	α-helix	trans	-60.6	-42.9	176.9	-71.1	-171.8	-66	153.7	-3.7	112.3	E165 F166 T167 S173	E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 2.63Å; E165-R169 VanDerWaalsContact O-N 3.13Å; F166-R169 PolarHBondContact O-N 3.17Å; T167-R169 VanDerWaalsContact C-N 3.33Å; T167-R169 PolarHBondContact O-N 3.32Å; R169-S173 PolarHBondContact O-N 2.99Å; R169-S173 VanDerWaalsContact O-N 3.08Å; R169-S173 PolarHBondContact O-OG 3.33Å
170	L	92.8	Very high	92.4	Very high	24 Å²	24	51.7 Å²	51.7	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-67.3	-44.6	-179.8	-72.3	-178.9	0	0	0	112	W146 F166 T167 D168 S173 N174 S180	W146-L170 HydrophobicContact CH2-CD1 3.46Å; W146-L170 VanDerWaalsContact CH2-CD1 3.46Å; W146-L170 HydrophobicContact CZ2-CD1 3.61Å; F166-L170 HydrophobicContact CD1-CD1 4.16Å; F166-L170 HydrophobicContact CE1-CD1 3.46Å; F166-L170 VanDerWaalsContact CE1-CD1 3.46Å; F166-L170 HydrophobicContact CE1-CG 4.33Å; F166-L170 HydrophobicContact CE2-CD1 4.16Å; F166-L170 HydrophobicContact CE2-CG 4.28Å; F166-L170 HydrophobicContact CZ-CD1 3.48Å; F166-L170 VanDerWaalsContact CZ-CD1 3.48Å; F166-L170 HydrophobicContact CZ-CD2 4.47Å; F166-L170 HydrophobicContact CZ-CG 4.08Å; F166-L170 PolarHBondContact O-N 3.36Å; F166-L170 VanDerWaalsContact O-N 3.15Å; T167-L170 PolarHBondContact O-N 3.44Å; D168-L170 VanDerWaalsContact C-N 3.34Å; D168-L170 PolarHBondContact O-N 3.18Å; L170-S173 PolarHBondContact O-N 3.49Å; L170-S173 PolarHBondContact O-OG 3.43Å; L170-N174 PolarHBondContact O-N 3.16Å; L170-S180 WeakPolarHBondContact CB-OG 3.4Å; L170-S180 WeakPolarHBondContact CD1-OG 3.32Å
171	I	91.6	Very high	92.4	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.056	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-41.6	177.1	-70.7	161.4	0	0	0	110.8	T167 D168 S173 N174 F175 W181 R184	T167-I171 WeakPolarHBondContact O-CG1 3.41Å; T167-I171 PolarHBondContact O-N 2.92Å; D168-I171 PolarHBondContact O-N 2.93Å; I171-S173 PolarHBondContact O-N 2.87Å; I171-N174 CarbonylContact O-C 3.2Å; I171-N174 PolarHBondContact O-N 3.4Å; I171-F175 HydrophobicContact CG2-CB 4.49Å; I171-F175 WeakPolarHBondContact O-CA 3.4Å; I171-F175 PolarHBondContact O-N 3.32Å; I171-F175 VanDerWaalsContact O-N 3.08Å; I171-W181 HydrophobicContact CB-CZ2 4.46Å; I171-W181 HydrophobicContact CD1-CD2 3.79Å; I171-W181 HydrophobicContact CD1-CE3 3.66Å; I171-W181 HydrophobicContact CD1-CH2 3.89Å; I171-W181 HydrophobicContact CD1-CZ2 3.99Å; I171-W181 HydrophobicContact CD1-CZ3 3.72Å; I171-W181 HydrophobicContact CG1-CD2 4.3Å; I171-W181 HydrophobicContact CG1-CH2 4.43Å; I171-W181 HydrophobicContact CG1-CZ2 4.1Å; I171-W181 HydrophobicContact CG2-CH2 3.75Å; I171-W181 HydrophobicContact CG2-CZ2 3.5Å; I171-R184 HydrophobicContact CD1-CG 4.34Å
172	G	89.3	Confident	92.4	Very high	72 Å²	72	47.7 Å²	47.7	74%	0.742	25%	0.252	S	S	*	.	H	α-helix	trans	-61.5	-28.1	174.9	0	0	0	0	0	113.4	D168	D168-G172 PolarHBondContact O-N 3.49Å
173	S	88.2	Confident	92.4	Very high	92 Å²	92	43.3 Å²	43.3	64%	0.643	23%	0.231	S	C	*	.	H	α-helix	trans	-86.4	-35.8	174.4	71.9	0	0	0	0	114	R169 L170 I171	R169-S173 PolarHBondContact O-N 2.99Å; R169-S173 VanDerWaalsContact O-N 3.08Å; R169-S173 PolarHBondContact O-OG 3.33Å; L170-S173 PolarHBondContact O-N 3.49Å; L170-S173 PolarHBondContact O-OG 3.43Å; I171-S173 PolarHBondContact O-N 2.87Å
174	N	85.9	Confident	92.4	Very high	52 Å²	52	43.3 Å²	43.3	28%	0.278	23%	0.231	S	C	.	.			trans	-152.4	99.3	-179.5	179.3	18.2	0	0	0	109	D140 L170 I171 S176 N177	D140-N174 PolarHBondContact OD2-ND2 2.91Å; L170-N174 PolarHBondContact O-N 3.16Å; I171-N174 CarbonylContact O-C 3.2Å; I171-N174 PolarHBondContact O-N 3.4Å; N174-S176 PolarHBondContact O-N 3.35Å; N174-S176 WeakPolarHBondContact OD1-CB 3.37Å; N174-S176 PolarHBondContact OD1-N 2.97Å; N174-N177 WeakPolarHBondContact O-CB 3.46Å
175	F	82.7	Confident	92.3	Very high	57 Å²	57	43.6 Å²	43.6	25%	0.25	24%	0.235	C	C	.	.	S	Bend	trans	-68.4	-19.4	178.6	52.6	-100.6	0	0	0	112.3	I171 N177 W181 A238 T241 D242 D245 S247	I171-F175 HydrophobicContact CG2-CB 4.49Å; I171-F175 WeakPolarHBondContact O-CA 3.4Å; I171-F175 PolarHBondContact O-N 3.32Å; I171-F175 VanDerWaalsContact O-N 3.08Å; F175-N177 PolarHBondContact O-N 3.1Å; F175-W181 PolarHBondContact O-NE1 2.83Å; F175-A238 HydrophobicContact CB-CB 3.95Å; F175-T241 HydrophobicContact CD1-CG2 4.3Å; F175-T241 HydrophobicContact CE1-CG2 3.73Å; F175-T241 HydrophobicContact CZ-CG2 4.22Å; F175-D242 HydrophobicContact CD2-CB 4.12Å; F175-D242 HydrophobicContact CE2-CB 3.14Å; F175-D242 HydrophobicContact CZ-CB 3.43Å; F175-D242 VanDerWaalsContact CZ-CB 3.43Å; F175-D245 HydrophobicContact CD2-CB 4.33Å; F175-D245 HydrophobicContact CE2-CB 4.33Å; F175-S247 PolarHBondContact O-OG 3.24Å
176	S	83.8	Confident	92.1	Very high	38 Å²	38	42.1 Å²	42.1	27%	0.266	23%	0.232	S	C	.	.			trans	-79.4	34.2	176.5	-169.2	0	0	0	0	113.4	R141 N174 D245	R141-S176 PolarHBondContact NH1-O 3.26Å; N174-S176 PolarHBondContact O-N 3.35Å; N174-S176 WeakPolarHBondContact OD1-CB 3.37Å; N174-S176 PolarHBondContact OD1-N 2.97Å; S176-D245 VanDerWaalsContact CA-CG 3.5Å; S176-D245 VanDerWaalsContact CA-OD1 3.3Å; S176-D245 WeakPolarHBondContact CA-OD1 3.14Å; S176-D245 WeakPolarHBondContact CB-OD1 3.34Å; S176-D245 PolarHBondContact OG-OD1 3.22Å
177	N	86.6	Confident	92	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.232	C	C	.	.			trans	-108.5	86.8	-177.2	-168.6	-25.8	0	0	0	111.7	D140 N174 F175 S179 S180 W181	D140-N177 WeakPolarHBondContact CB-ND2 3.45Å; D140-N177 PolarHBondContact OD2-ND2 2.76Å; D140-N177 VanDerWaalsContact OD2-ND2 3.11Å; N174-N177 WeakPolarHBondContact O-CB 3.46Å; F175-N177 PolarHBondContact O-N 3.1Å; N177-S179 PolarHBondContact O-N 2.87Å; N177-S179 WeakPolarHBondContact OD1-CB 3.25Å; N177-S179 PolarHBondContact OD1-N 3.28Å; N177-S180 PolarHBondContact ND2-OG 2.88Å; N177-S180 VanDerWaalsContact ND2-OG 3.1Å; N177-S180 PolarHBondContact O-N 2.81Å; N177-S180 VanDerWaalsContact O-N 3.13Å; N177-S180 PolarHBondContact OD1-N 3.09Å; N177-S180 PolarHBondContact OD1-OG 2.93Å; N177-W181 PolarHBondContact O-N 2.83Å
178	Y	92.4	Very high	91.9	Very high	98 Å²	98	42.1 Å²	42.1	38%	0.384	23%	0.232	S	C	.	.	H	α-helix	trans	-54.7	-35.4	175.4	-165.8	-85.6	0	0	0	113.2	R141 S180 W181 H182 F250	R141-Y178 VanDerWaalsContact CZ-CB 3.44Å; Y178-S180 VanDerWaalsContact C-N 3.34Å; Y178-W181 PolarHBondContact O-N 2.84Å; Y178-H182 HydrophobicContact CD1-CB 4.4Å; Y178-H182 HydrophobicContact CE1-CB 4.36Å; Y178-H182 VanDerWaalsContact O-CB 3.24Å; Y178-H182 WeakPolarHBondContact O-CB 3.23Å; Y178-H182 PolarHBondContact O-N 2.83Å; Y178-F250 HydrophobicContact CE2-CB 3.92Å; Y178-F250 HydrophobicContact CE2-CD2 4.25Å; Y178-F250 HydrophobicContact CE2-CG 4.22Å
179	S	95	Very high	91.7	Very high	20 Å²	20	41.3 Å²	41.3	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-40.1	-178.9	-42	0	0	0	0	111.3	D140 W146 N177 H182 Y183	D140-S179 PolarHBondContact O-OG 3.22Å; W146-S179 VanDerWaalsContact CE2-CB 3.42Å; N177-S179 PolarHBondContact O-N 2.87Å; N177-S179 WeakPolarHBondContact OD1-CB 3.25Å; N177-S179 PolarHBondContact OD1-N 3.28Å; S179-H182 PolarHBondContact O-N 2.8Å; S179-Y183 WeakPolarHBondContact O-CB 3.35Å; S179-Y183 PolarHBondContact O-N 2.8Å
180	S	95.3	Very high	91.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-48.7	175.8	-63.4	0	0	0	0	111.4	L170 N177 Y178 H182 Y183 R184	L170-S180 WeakPolarHBondContact CB-OG 3.4Å; L170-S180 WeakPolarHBondContact CD1-OG 3.32Å; N177-S180 PolarHBondContact ND2-OG 2.88Å; N177-S180 VanDerWaalsContact ND2-OG 3.1Å; N177-S180 PolarHBondContact O-N 2.81Å; N177-S180 VanDerWaalsContact O-N 3.13Å; N177-S180 PolarHBondContact OD1-N 3.09Å; N177-S180 PolarHBondContact OD1-OG 2.93Å; Y178-S180 VanDerWaalsContact C-N 3.34Å; S180-H182 VanDerWaalsContact C-N 3.33Å; S180-H182 PolarHBondContact O-N 2.86Å; S180-Y183 PolarHBondContact O-N 3.19Å; S180-Y183 VanDerWaalsContact O-N 3.14Å; S180-R184 WeakPolarHBondContact O-CG 3.48Å; S180-R184 PolarHBondContact O-N 2.91Å
181	W	95.8	Very high	91.3	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.011	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-42.5	175.4	-66.7	118.5	0	0	0	112.5	I171 F175 N177 Y178 Y183 R184 S185 L234 V235 A238 S247 Y251	I171-W181 HydrophobicContact CB-CZ2 4.46Å; I171-W181 HydrophobicContact CD1-CD2 3.79Å; I171-W181 HydrophobicContact CD1-CE3 3.66Å; I171-W181 HydrophobicContact CD1-CH2 3.89Å; I171-W181 HydrophobicContact CD1-CZ2 3.99Å; I171-W181 HydrophobicContact CD1-CZ3 3.72Å; I171-W181 HydrophobicContact CG1-CD2 4.3Å; I171-W181 HydrophobicContact CG1-CH2 4.43Å; I171-W181 HydrophobicContact CG1-CZ2 4.1Å; I171-W181 HydrophobicContact CG2-CH2 3.75Å; I171-W181 HydrophobicContact CG2-CZ2 3.5Å; F175-W181 PolarHBondContact O-NE1 2.83Å; N177-W181 PolarHBondContact O-N 2.83Å; Y178-W181 PolarHBondContact O-N 2.84Å; W181-Y183 VanDerWaalsContact C-N 3.34Å; W181-Y183 PolarHBondContact O-N 2.85Å; W181-R184 WeakPolarHBondContact O-CB 3.39Å; W181-R184 PolarHBondContact O-N 2.87Å; W181-S185 PolarHBondContact O-N 2.78Å; W181-L234 HydrophobicContact CH2-CD2 4.21Å; W181-L234 HydrophobicContact CH2-CG 3.99Å; W181-L234 HydrophobicContact CZ3-CD2 4.04Å; W181-L234 HydrophobicContact CZ3-CG 4.26Å; W181-V235 HydrophobicContact CH2-CB 4.29Å; W181-V235 HydrophobicContact CZ3-CB 4.45Å; W181-A238 HydrophobicContact CH2-CB 4.39Å; W181-A238 HydrophobicContact CZ2-CB 3.84Å; W181-S247 VanDerWaalsContact CD1-OG 3.31Å; W181-S247 PolarHBondContact NE1-OG 2.97Å; W181-Y251 HydrophobicContact CB-CD2 3.98Å; W181-Y251 HydrophobicContact CB-CG 4.06Å; W181-Y251 HydrophobicContact CD2-CD1 4.13Å; W181-Y251 HydrophobicContact CD2-CG 4.13Å; W181-Y251 AromaticContact CE3-CD1 3.32Å; W181-Y251 HydrophobicContact CE3-CD1 3.32Å; W181-Y251 HydrophobicContact CE3-CD2 4.2Å; W181-Y251 AromaticContact CE3-CE1 3.52Å; W181-Y251 HydrophobicContact CE3-CE1 3.52Å; W181-Y251 HydrophobicContact CE3-CE2 4.37Å; W181-Y251 AromaticContact CE3-CG 3.67Å; W181-Y251 HydrophobicContact CE3-CG 3.67Å; W181-Y251 HydrophobicContact CG-CG 4.33Å; W181-Y251 AromaticContact CZ3-CD1 3.65Å; W181-Y251 HydrophobicContact CZ3-CD1 3.65Å; W181-Y251 AromaticContact CZ3-CE1 3.65Å; W181-Y251 HydrophobicContact CZ3-CE1 3.65Å; W181-Y251 HydrophobicContact CZ3-CG 4.44Å; W181-Y251 WeakPolarHBondContact O-CE2 3.5Å
182	H	95.6	Very high	91.1	Very high	92 Å²	92	43.5 Å²	43.5	43%	0.426	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-45.7	173.9	174.9	59.8	0	0	0	111	Y178 S179 S180 R184 S185 T186	Y178-H182 HydrophobicContact CD1-CB 4.4Å; Y178-H182 HydrophobicContact CE1-CB 4.36Å; Y178-H182 VanDerWaalsContact O-CB 3.24Å; Y178-H182 WeakPolarHBondContact O-CB 3.23Å; Y178-H182 PolarHBondContact O-N 2.83Å; S179-H182 PolarHBondContact O-N 2.8Å; S180-H182 VanDerWaalsContact C-N 3.33Å; S180-H182 PolarHBondContact O-N 2.86Å; H182-R184 PolarHBondContact O-N 2.78Å; H182-S185 WeakPolarHBondContact O-CB 2.81Å; H182-S185 PolarHBondContact O-N 2.87Å; H182-S185 VanDerWaalsContact O-N 3.16Å; H182-S185 PolarHBondContact O-OG 2.88Å; H182-T186 PolarHBondContact O-N 2.93Å
183	Y	96.3	Very high	90.7	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.035	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-41.9	179.6	-166.8	-146.8	0	0	0	111.7	W146 R150 E163 T167 S179 S180 W181 S185 T186 L187	W146-Y183 HydrophobicContact CE3-CD1 4.03Å; W146-Y183 HydrophobicContact CE3-CG 4.36Å; W146-Y183 HydrophobicContact CH2-CD1 4.3Å; W146-Y183 AromaticContact CZ3-CD1 3.39Å; W146-Y183 HydrophobicContact CZ3-CD1 3.39Å; W146-Y183 HydrophobicContact CZ3-CE1 4.04Å; W146-Y183 HydrophobicContact CZ3-CG 4.01Å; R150-Y183 VanDerWaalsContact CD-CE2 3.48Å; R150-Y183 HydrophobicContact CG-CD2 4.31Å; R150-Y183 HydrophobicContact CG-CE2 3.58Å; E163-Y183 HydrophobicContact CB-CE1 4.09Å; E163-Y183 HydrophobicContact CG-CE1 4.48Å; E163-Y183 WeakPolarHBondContact OE2-CE1 3.21Å; E163-Y183 PolarHBondContact OE2-OH 2.99Å; T167-Y183 HydrophobicContact CG2-CD1 3.66Å; T167-Y183 HydrophobicContact CG2-CG 4.31Å; S179-Y183 WeakPolarHBondContact O-CB 3.35Å; S179-Y183 PolarHBondContact O-N 2.8Å; S180-Y183 PolarHBondContact O-N 3.19Å; S180-Y183 VanDerWaalsContact O-N 3.14Å; W181-Y183 VanDerWaalsContact C-N 3.34Å; W181-Y183 PolarHBondContact O-N 2.85Å; Y183-S185 VanDerWaalsContact C-N 3.29Å; Y183-S185 PolarHBondContact O-N 3.21Å; Y183-T186 WeakPolarHBondContact CD2-OG1 3.46Å; Y183-T186 PolarHBondContact O-N 3.34Å; Y183-T186 PolarHBondContact O-OG1 3.43Å; Y183-L187 HydrophobicContact CD1-CD1 3.76Å; Y183-L187 HydrophobicContact CD2-CD1 4.21Å; Y183-L187 HydrophobicContact CD2-CD2 4.44Å; Y183-L187 HydrophobicContact CD2-CG 4.09Å; Y183-L187 HydrophobicContact CE1-CD1 3.8Å; Y183-L187 HydrophobicContact CE1-CD2 4.48Å; Y183-L187 HydrophobicContact CE1-CG 4.46Å; Y183-L187 HydrophobicContact CE2-CD1 4.16Å; Y183-L187 HydrophobicContact CE2-CD2 3.8Å; Y183-L187 HydrophobicContact CE2-CG 3.95Å; Y183-L187 HydrophobicContact CG-CD1 4.01Å; Y183-L187 HydrophobicContact CG-CG 4.37Å; Y183-L187 WeakPolarHBondContact O-CG 3.44Å; Y183-L187 PolarHBondContact O-N 3.46Å
184	R	95.8	Very high	89.8	Confident	5 Å²	5	40 Å²	40	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-52.4	-45.8	170.8	-71.4	-172.4	77.9	83.8	-14.4	112.7	L164 T167 D168 I171 S180 W181 H182 T186 L187 L188 E231 Y251	L164-R184 HydrophobicContact CD1-CG 4.11Å; T167-R184 HydrophobicContact CG2-CG 4.03Å; T167-R184 WeakPolarHBondContact OG1-CG 3.27Å; T167-R184 PolarHBondContact OG1-NH1 3.34Å; D168-R184 IonicContact OD1-CZ 3.47Å; D168-R184 VanDerWaalsContact OD1-CZ 3.29Å; D168-R184 IonicContact OD1-NH1 3.05Å; D168-R184 PolarHBondContact OD1-NH1 2.92Å; D168-R184 IonicContact OD1-NH2 3.68Å; D168-R184 PolarHBondContact OD1-NH2 3.35Å; I171-R184 HydrophobicContact CD1-CG 4.34Å; S180-R184 WeakPolarHBondContact O-CG 3.48Å; S180-R184 PolarHBondContact O-N 2.91Å; W181-R184 WeakPolarHBondContact O-CB 3.39Å; W181-R184 PolarHBondContact O-N 2.87Å; H182-R184 PolarHBondContact O-N 2.78Å; R184-T186 PolarHBondContact O-N 3.05Å; R184-L187 PolarHBondContact O-N 3.24Å; R184-L188 WeakPolarHBondContact O-CG 3.3Å; R184-L188 PolarHBondContact O-N 3.45Å; R184-E231 IonicContact CZ-OE1 3.41Å; R184-E231 IonicContact CZ-OE2 3.95Å; R184-E231 IonicContact NE-OE1 3.07Å; R184-E231 IonicContact NE-OE2 3.67Å; R184-E231 PolarHBondContact NE-OE2 3.25Å; R184-E231 VanDerWaalsContact NE-OE2 3.09Å; R184-E231 IonicContact NH2-OE1 3.53Å; R184-E231 PolarHBondContact NH2-OE1 3.18Å; R184-E231 IonicContact NH2-OE2 3.25Å; R184-Y251 HydrophobicContact CB-CE2 4.24Å
185	S	93.6	Very high	88.5	Confident	21 Å²	21	41.6 Å²	41.6	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-22.8	179.3	79.4	0	0	0	0	113.6	W181 H182 Y183 P189 W254	W181-S185 PolarHBondContact O-N 2.78Å; H182-S185 WeakPolarHBondContact O-CB 2.81Å; H182-S185 PolarHBondContact O-N 2.87Å; H182-S185 VanDerWaalsContact O-N 3.16Å; H182-S185 PolarHBondContact O-OG 2.88Å; Y183-S185 VanDerWaalsContact C-N 3.29Å; Y183-S185 PolarHBondContact O-N 3.21Å; S185-P189 VanDerWaalsContact O-CD 3.27Å; S185-P189 WeakPolarHBondContact O-CD 3.45Å; S185-P189 WeakPolarHBondContact O-CG 3.36Å; S185-W254 WeakPolarHBondContact O-CZ2 3.47Å
186	T	92.7	Very high	87.1	Confident	58 Å²	58	42.2 Å²	42.2	36%	0.356	24%	0.24	S	C	.	.	H	α-helix	trans	-93.1	-26.8	175.5	70.8	0	0	0	0	113.6	H182 Y183 R184 L190	H182-T186 PolarHBondContact O-N 2.93Å; Y183-T186 WeakPolarHBondContact CD2-OG1 3.46Å; Y183-T186 PolarHBondContact O-N 3.34Å; Y183-T186 PolarHBondContact O-OG1 3.43Å; R184-T186 PolarHBondContact O-N 3.05Å; T186-L190 WeakPolarHBondContact O-CG 3.3Å
187	L	94.1	Very high	85.2	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-84.4	-40.4	-177.4	-65.7	170.7	0	0	0	112.1	V160 E163 L164 T167 Y183 R184 L190 L191	V160-L187 HydrophobicContact CG1-CB 4.14Å; V160-L187 HydrophobicContact CG1-CD2 3.66Å; V160-L187 HydrophobicContact CG1-CG 4.49Å; E163-L187 HydrophobicContact CB-CD1 3.96Å; E163-L187 HydrophobicContact CB-CD2 4.15Å; L164-L187 HydrophobicContact CD1-CB 4.26Å; L164-L187 HydrophobicContact CD1-CD1 4.44Å; T167-L187 HydrophobicContact CG2-CD1 4.21Å; Y183-L187 HydrophobicContact CD1-CD1 3.76Å; Y183-L187 HydrophobicContact CD2-CD1 4.21Å; Y183-L187 HydrophobicContact CD2-CD2 4.44Å; Y183-L187 HydrophobicContact CD2-CG 4.09Å; Y183-L187 HydrophobicContact CE1-CD1 3.8Å; Y183-L187 HydrophobicContact CE1-CD2 4.48Å; Y183-L187 HydrophobicContact CE1-CG 4.46Å; Y183-L187 HydrophobicContact CE2-CD1 4.16Å; Y183-L187 HydrophobicContact CE2-CD2 3.8Å; Y183-L187 HydrophobicContact CE2-CG 3.95Å; Y183-L187 HydrophobicContact CG-CD1 4.01Å; Y183-L187 HydrophobicContact CG-CG 4.37Å; Y183-L187 WeakPolarHBondContact O-CG 3.44Å; Y183-L187 PolarHBondContact O-N 3.46Å; R184-L187 PolarHBondContact O-N 3.24Å; L187-L190 WeakPolarHBondContact O-CB 3.11Å; L187-L190 PolarHBondContact O-N 2.84Å; L187-L190 VanDerWaalsContact O-N 3.09Å; L187-L191 PolarHBondContact O-N 3.37Å
188	L	93.6	Very high	82.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-45.6	-176.1	-72.3	167.7	0	0	0	113.3	L164 R184 L190 L191 H192 V223 Q227 E231 Y251 W254	L164-L188 HydrophobicContact CD1-CD2 4.03Å; L164-L188 HydrophobicContact CD1-CG 4.19Å; L164-L188 HydrophobicContact CD2-CD2 3.89Å; R184-L188 WeakPolarHBondContact O-CG 3.3Å; R184-L188 PolarHBondContact O-N 3.45Å; L188-L190 PolarHBondContact O-N 3.44Å; L188-L190 VanDerWaalsContact O-N 3.17Å; L188-L191 PolarHBondContact O-N 3.35Å; L188-L191 VanDerWaalsContact O-N 3.17Å; L188-H192 PolarHBondContact O-N 3.49Å; L188-V223 HydrophobicContact CB-CG1 4.31Å; L188-V223 HydrophobicContact CB-CG2 3.71Å; L188-Q227 HydrophobicContact CD2-CG 3.89Å; L188-E231 HydrophobicContact CD1-CG 3.76Å; L188-Y251 WeakPolarHBondContact CD1-OH 3.21Å; L188-W254 HydrophobicContact CD1-CZ3 4.5Å
189	P	90	Very high	80	Confident	46 Å²	46	53 Å²	53	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-24.5	177.4	-23.2	35	0	0	0	113.6	S185 P193 R222 V223	S185-P189 VanDerWaalsContact O-CD 3.27Å; S185-P189 WeakPolarHBondContact O-CD 3.45Å; S185-P189 WeakPolarHBondContact O-CG 3.36Å; P189-P193 WeakPolarHBondContact O-CA 3.32Å; P189-R222 WeakPolarHBondContact CB-O 3.47Å; P189-R222 WeakPolarHBondContact CG-O 3.44Å; P189-V223 HydrophobicContact CG-CG2 4.49Å
190	L	89.3	Confident	77.1	Confident	124 Å²	124	57.5 Å²	57.5	65%	0.649	34%	0.337	S	S	*	.	H	α-helix	trans	-79.5	-30.5	178.8	-58.8	175.2	0	0	0	112.7	V160 T186 L187 L188	V160-L190 HydrophobicContact CG1-CB 4.25Å; T186-L190 WeakPolarHBondContact O-CG 3.3Å; L187-L190 WeakPolarHBondContact O-CB 3.11Å; L187-L190 PolarHBondContact O-N 2.84Å; L187-L190 VanDerWaalsContact O-N 3.09Å; L188-L190 PolarHBondContact O-N 3.44Å; L188-L190 VanDerWaalsContact O-N 3.17Å
191	L	89.6	Confident	74.4	Confident	58 Å²	58	62.9 Å²	62.9	30%	0.304	37%	0.374	S	S	.	.	H	α-helix	trans	-92.3	-34.9	-179.8	-76.7	170.1	0	0	0	113	V160 K161 L164 L187 L188 P193	V160-L191 HydrophobicContact CB-CD1 4.26Å; V160-L191 HydrophobicContact CB-CD2 3.85Å; V160-L191 HydrophobicContact CB-CG 3.91Å; V160-L191 HydrophobicContact CG1-CD1 3.79Å; V160-L191 HydrophobicContact CG1-CD2 4.12Å; V160-L191 HydrophobicContact CG1-CG 3.59Å; K161-L191 HydrophobicContact CB-CD1 4.48Å; K161-L191 HydrophobicContact CB-CD2 4.32Å; L164-L191 HydrophobicContact CB-CD1 4.14Å; L164-L191 HydrophobicContact CD2-CD1 3.85Å; L187-L191 PolarHBondContact O-N 3.37Å; L188-L191 PolarHBondContact O-N 3.35Å; L188-L191 VanDerWaalsContact O-N 3.17Å; L191-P193 VanDerWaalsContact C-CD 3.49Å
192	H	88.2	Confident	71.5	Confident	60 Å²	60	73.4 Å²	73.4	28%	0.278	41%	0.414	S	S	.	.	S	Bend	trans	-132.7	62.1	-170.9	-59.4	-69.3	0	0	0	109.2	L188 V223 C224 Q227	L188-H192 PolarHBondContact O-N 3.49Å; H192-V223 HydrophobicContact CB-CG1 3.87Å; H192-V223 WeakPolarHBondContact O-CA 3.09Å; H192-C224 PolarHBondContact O-N 3.06Å; H192-Q227 HydrophobicContact CB-CB 4.22Å; H192-Q227 HydrophobicContact CB-CG 4.33Å
193	P	80.8	Confident	68.5	Low	78 Å²	78	74.6 Å²	74.6	51%	0.506	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-58.1	143.7	-179.4	26.7	-34.6	0	0	0	110	P189 L191 S195	P189-P193 WeakPolarHBondContact O-CA 3.32Å; L191-P193 VanDerWaalsContact C-CD 3.49Å; P193-S195 PolarHBondContact O-N 3.23Å
194	G	68.8	Low	65.6	Low	11 Å²	11	82.5 Å²	82.5	11%	0.113	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-62.6	117.7	168.1	0	0	0	0	0	109.1	H221	G194-H221 WeakPolarHBondContact CA-O 3.35Å
195	S	58.8	Low	62.8	Low	87 Å²	87	85.6 Å²	85.6	61%	0.608	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-70.9	141.7	171.7	-60.6	0	0	0	0	109.7	P193 E197	P193-S195 PolarHBondContact O-N 3.23Å; S195-E197 PolarHBondContact O-N 3.06Å
196	P	53.1	Low	60	Low	69 Å²	69	92 Å²	92	45%	0.448	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-65.1	120.8	157.2	27.4	-28.9	0	0	0	106.9	T218	P196-T218 HydrophobicContact CB-CG2 4.07Å
197	E	43.9	Very low	57.2	Low	152 Å²	152	94 Å²	94	71%	0.71	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-57.4	136.9	169.2	-76	-160.8	153.9	0	0	109.1	S195	S195-E197 PolarHBondContact O-N 3.06Å
198	P	33.8	Very low	54.5	Low	108 Å²	108	98.9 Å²	98.9	70%	0.701	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-66	142.3	169.8	27.8	-30.3	0	0	0	108.7
199	P	35.6	Very low	51.8	Low	105 Å²	105	107.4 Å²	107.4	68%	0.682	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-57.6	146.4	176.7	23.8	-32.4	0	0	0	110.1	S201	P199-S201 PolarHBondContact O-N 2.84Å
200	P	35	Very low	49.2	Very low	114 Å²	114	110.8 Å²	110.8	74%	0.74	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-55.4	130.1	179.6	19.8	-30	0	0	0	110.1	R202	P200-R202 PolarHBondContact O-N 2.97Å
201	S	37.5	Very low	46.3	Very low	112 Å²	112	110.4 Å²	110.4	78%	0.783	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-54	121.8	173.4	45.7	0	0	0	0	109.5	P199 C203	P199-S201 PolarHBondContact O-N 2.84Å; S201-C203 PolarHBondContact O-N 3.22Å
202	R	35.9	Very low	43.6	Very low	224 Å²	224	112.7 Å²	112.7	85%	0.845	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-48.9	128.3	177.4	-69.8	-179.1	175.5	-173.3	-3.1	110.5	P200 D204	P200-R202 PolarHBondContact O-N 2.97Å; R202-D204 PolarHBondContact O-N 3.23Å
203	C	32.8	Very low	40.9	Very low	118 Å²	118	114.5 Å²	114.5	80%	0.797	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-69.6	121.1	160.6	-60.6	0	0	0	0	107.8	S201 G205	S201-C203 PolarHBondContact O-N 3.22Å; C203-G205 PolarHBondContact O-N 2.91Å
204	D	34.3	Very low	38.6	Very low	174 Å²	174	116.1 Å²	116.1	93%	0.93	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	104.1	172.9	-76.7	-41.7	0	0	0	109.5	R202	R202-D204 PolarHBondContact O-N 3.23Å
205	G	37.9	Very low	37.2	Very low	71 Å²	71	118 Å²	118	73%	0.732	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	174.1	-20	175.4	0	0	0	0	0	119.4	C203	C203-G205 PolarHBondContact O-N 2.91Å
206	D	33.7	Very low	36.1	Very low	154 Å²	154	118.1 Å²	118.1	82%	0.824	72%	0.716	S	S	*	*			trans	-88.2	140.1	-171.4	-73.6	-33.6	0	0	0	114.8
207	P	35	Very low	35.6	Very low	100 Å²	100	120 Å²	120	65%	0.649	72%	0.718	S	S	*	*			trans	-76	156.2	-176.3	29.5	-33	0	0	0	113.8	H209	P207-H209 VanDerWaalsContact C-N 3.34Å; P207-H209 PolarHBondContact O-N 3.43Å
208	P	36.7	Very low	35.6	Very low	111 Å²	111	116 Å²	116	72%	0.721	70%	0.704	S	S	*	*	S	Bend	trans	-85.2	30.5	-157.8	35	-37.4	0	0	0	116.6
209	H	37.1	Very low	36.5	Very low	180 Å²	180	113.1 Å²	113.1	83%	0.833	68%	0.682	S	S	*	*	S	Bend	trans	-144.7	67.8	178	-65.8	-59.5	0	0	0	113.3	P207	P207-H209 VanDerWaalsContact C-N 3.34Å; P207-H209 PolarHBondContact O-N 3.43Å
210	S	36.3	Very low	37.3	Very low	116 Å²	116	112.3 Å²	112.3	81%	0.811	67%	0.668	S	S	*	*			trans	-175.6	57.3	148.2	53.8	0	0	0	0	109.6
211	C	26.7	Very low	38.7	Very low	116 Å²	116	109.6 Å²	109.6	78%	0.784	65%	0.645	S	S	*	*			trans	-102.8	100.4	174.7	-69	0	0	0	0	109.3
212	S	33.2	Very low	40.6	Very low	106 Å²	106	108.1 Å²	108.1	74%	0.741	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-52.7	137.4	147.1	-55.4	0	0	0	0	107.6
213	P	32.8	Very low	43	Very low	98 Å²	98	97.6 Å²	97.6	64%	0.636	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-60.3	140.5	172.8	12.8	-9.5	0	0	0	108.5	S215	P213-S215 PolarHBondContact O-N 2.96Å; P213-S215 VanDerWaalsContact O-N 3.12Å
214	P	31.7	Very low	45.6	Very low	113 Å²	113	93.6 Å²	93.6	73%	0.734	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-58.7	122.5	172.6	24.1	-30.1	0	0	0	107.8
215	S	38.8	Very low	48.2	Very low	49 Å²	49	87.9 Å²	87.9	34%	0.343	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-56.9	141.8	166.4	39.9	0	0	0	0	108.2	P213 Q217	P213-S215 PolarHBondContact O-N 2.96Å; P213-S215 VanDerWaalsContact O-N 3.12Å; S215-Q217 PolarHBondContact O-N 3.49Å
216	P	37.2	Very low	50.7	Low	90 Å²	90	90.7 Å²	90.7	58%	0.584	52%	0.518	S	S	*	.			trans	-68.7	87.9	173.5	26.5	-29	0	0	0	108.3	T218	P216-T218 PolarHBondContact O-N 3.34Å
217	Q	41.5	Very low	53.5	Low	108 Å²	108	84.4 Å²	84.4	51%	0.505	48%	0.483	S	S	.	.			trans	-72.2	64.9	168.9	-81.2	179	-15.3	0	0	109	S215 H219	S215-Q217 PolarHBondContact O-N 3.49Å; Q217-H219 WeakPolarHBondContact CB-NE2 3.34Å; Q217-H219 PolarHBondContact O-CD2 3.33Å; Q217-H219 VanDerWaalsContact O-CD2 3.31Å; Q217-H219 PolarHBondContact O-N 2.8Å
218	T	44.4	Very low	56.2	Low	68 Å²	68	80.2 Å²	80.2	42%	0.417	46%	0.455	S	S	.	.			trans	-91.5	88.5	168.8	45.9	0	0	0	0	107.9	P196 P216 F220	P196-T218 HydrophobicContact CB-CG2 4.07Å; P216-T218 PolarHBondContact O-N 3.34Å; T218-F220 WeakPolarHBondContact O-CD2 3.26Å
219	H	51.8	Low	58.8	Low	49 Å²	49	76.9 Å²	76.9	23%	0.227	43%	0.431	C	S	.	.			trans	-76.1	135.5	178.5	-60.6	-97.4	0	0	0	109.9	Q217 E368	Q217-H219 WeakPolarHBondContact CB-NE2 3.34Å; Q217-H219 PolarHBondContact O-CD2 3.33Å; Q217-H219 VanDerWaalsContact O-CD2 3.31Å; Q217-H219 PolarHBondContact O-N 2.8Å; H219-E368 IonicContact CE1-OE1 2.65Å; H219-E368 PolarHBondContact CE1-OE1 2.75Å; H219-E368 IonicContact ND1-OE1 3.63Å; H219-E368 PolarHBondContact ND1-OE1 3.05Å; H219-E368 VanDerWaalsContact ND1-OE1 3.13Å
220	F	53.6	Low	61.6	Low	88 Å²	88	72.9 Å²	72.9	39%	0.386	41%	0.411	S	S	.	.			trans	-116.5	103.3	171.7	-64	-81	0	0	0	108.8	T218 A259 E262	T218-F220 WeakPolarHBondContact O-CD2 3.26Å; F220-A259 HydrophobicContact CB-CB 3.81Å; F220-A259 WeakPolarHBondContact O-CB 3.33Å; F220-E262 HydrophobicContact CD2-CG 4.43Å; F220-E262 HydrophobicContact CE2-CG 3.88Å; F220-E262 VanDerWaalsContact CE2-OE1 3.28Å; F220-E262 WeakPolarHBondContact CE2-OE1 3.41Å; F220-E262 WeakPolarHBondContact CZ-OE1 3.38Å
221	H	64.3	Low	64.4	Low	57 Å²	57	67.5 Å²	67.5	26%	0.264	37%	0.373	S	S	.	.			trans	-73.7	148.4	155.6	-64.7	-61.5	0	0	0	108.8	G194 V223	G194-H221 WeakPolarHBondContact CA-O 3.35Å; H221-V223 WeakPolarHBondContact CB-O 3.31Å; H221-V223 PolarHBondContact O-N 3.43Å
222	R	75.9	Confident	67.6	Low	81 Å²	81	62.1 Å²	62.1	31%	0.306	34%	0.337	S	S	.	.	S	Bend	trans	-58.9	-31.6	175.2	-67.9	-178.5	177.7	168.2	-1.1	111.5	P189 W254 R258 A259	P189-R222 WeakPolarHBondContact CB-O 3.47Å; P189-R222 WeakPolarHBondContact CG-O 3.44Å; R222-W254 HydrophobicContact CB-CZ2 4.27Å; R222-W254 VanDerWaalsContact NH1-CG 3.28Å; R222-W254 VanDerWaalsContact NH1-NE1 3.2Å; R222-W254 PolarHBondContact NH1-O 2.93Å; R222-R258 VanDerWaalsContact NE-C 3.34Å; R222-R258 PolarHBondContact NE-O 2.95Å; R222-R258 PolarHBondContact NH2-O 3.31Å; R222-A259 HydrophobicContact CG-CB 4.08Å
223	V	86.6	Confident	70.5	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.018	33%	0.329	C	S	.	.	S	Bend	trans	-145.9	146.8	-176.6	-173.7	0	0	0	0	107	L188 P189 H192 H221 Q227 W254	L188-V223 HydrophobicContact CB-CG1 4.31Å; L188-V223 HydrophobicContact CB-CG2 3.71Å; P189-V223 HydrophobicContact CG-CG2 4.49Å; H192-V223 HydrophobicContact CB-CG1 3.87Å; H192-V223 WeakPolarHBondContact O-CA 3.09Å; H221-V223 WeakPolarHBondContact CB-O 3.31Å; H221-V223 PolarHBondContact O-N 3.43Å; V223-Q227 HydrophobicContact CG1-CB 3.72Å; V223-Q227 HydrophobicContact CG1-CG 3.76Å; V223-W254 HydrophobicContact CG2-CH2 4.05Å
224	C	88.1	Confident	73.4	Confident	33 Å²	33	60.8 Å²	60.8	22%	0.223	31%	0.312	C	S	.	.			trans	-56.1	150	174	74.2	0	0	0	0	112	H192 E226 Q227 L228	H192-C224 PolarHBondContact O-N 3.06Å; C224-E226 PolarHBondContact O-N 3.46Å; C224-Q227 PolarHBondContact O-N 3.16Å; C224-L228 PolarHBondContact O-N 2.68Å
225	E	87.9	Confident	76.3	Confident	54 Å²	54	55.4 Å²	55.4	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-43.3	-171.4	-176.6	167.9	106.2	0	0	113	Q227 L228 L229 S375 K378	E225-Q227 PolarHBondContact O-N 2.64Å; E225-L228 WeakPolarHBondContact O-CA 3.47Å; E225-L228 WeakPolarHBondContact O-CB 3.22Å; E225-L228 PolarHBondContact O-N 3.29Å; E225-L229 HydrophobicContact CG-CD1 4.45Å; E225-L229 HydrophobicContact CG-CG 4.29Å; E225-L229 WeakPolarHBondContact O-CG 3.5Å; E225-L229 PolarHBondContact O-N 3.49Å; E225-S375 WeakPolarHBondContact OE1-CB 3.4Å; E225-S375 PolarHBondContact OE1-OG 3.33Å; E225-S375 PolarHBondContact OE2-OG 3.01Å; E225-K378 WeakPolarHBondContact OE2-CD 3.44Å
226	E	90.4	Very high	78.9	Confident	131 Å²	131	54.9 Å²	54.9	61%	0.612	27%	0.269	S	S	*	.	H	α-helix	trans	-53.5	-44.2	178.6	-170.8	-159.2	147.9	0	0	111.9	C224 K230	C224-E226 PolarHBondContact O-N 3.46Å; E226-K230 PolarHBondContact O-N 2.92Å; E226-K230 IonicContact OE1-NZ 2.68Å; E226-K230 PolarHBondContact OE1-NZ 3.46Å
227	Q	92.8	Very high	81.4	Confident	22 Å²	22	54.9 Å²	54.9	10%	0.103	26%	0.264	C	S	.	.	H	α-helix	trans	-76.1	-33.1	179.2	-175.3	61.2	38.3	0	0	111.6	L188 H192 V223 C224 E225 L229 K230 E231	L188-Q227 HydrophobicContact CD2-CG 3.89Å; H192-Q227 HydrophobicContact CB-CB 4.22Å; H192-Q227 HydrophobicContact CB-CG 4.33Å; V223-Q227 HydrophobicContact CG1-CB 3.72Å; V223-Q227 HydrophobicContact CG1-CG 3.76Å; C224-Q227 PolarHBondContact O-N 3.16Å; E225-Q227 PolarHBondContact O-N 2.64Å; Q227-L229 VanDerWaalsContact C-N 3.31Å; Q227-L229 PolarHBondContact O-N 3.01Å; Q227-K230 PolarHBondContact O-N 3.09Å; Q227-E231 PolarHBondContact NE2-OE1 2.97Å; Q227-E231 WeakPolarHBondContact O-CG 3.45Å; Q227-E231 PolarHBondContact O-N 3.18Å
228	L	91.6	Very high	83.8	Confident	12 Å²	12	50 Å²	50	6%	0.063	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-41.7	174.2	-176.5	64.8	0	0	0	111.7	C224 E225 E231 Y232 L255	C224-L228 PolarHBondContact O-N 2.68Å; E225-L228 WeakPolarHBondContact O-CA 3.47Å; E225-L228 WeakPolarHBondContact O-CB 3.22Å; E225-L228 PolarHBondContact O-N 3.29Å; L228-E231 PolarHBondContact O-N 3.06Å; L228-Y232 HydrophobicContact CD1-CE2 4.19Å; L228-Y232 HydrophobicContact CD2-CE2 4.07Å; L228-Y232 HydrophobicContact CG-CD2 4.34Å; L228-Y232 HydrophobicContact CG-CE2 3.65Å; L228-Y232 WeakPolarHBondContact O-CD2 3.49Å; L228-Y232 PolarHBondContact O-N 3.23Å; L228-L255 HydrophobicContact CD1-CB 3.95Å; L228-L255 HydrophobicContact CD1-CD2 3.8Å; L228-L255 HydrophobicContact CD1-CG 4.43Å
229	L	93	Very high	86	Confident	40 Å²	40	46.8 Å²	46.8	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-41.3	177.5	-61.4	-178.2	0	0	0	112.3	E225 Q227 E231 Y232 E233 E377 K378 V381	E225-L229 HydrophobicContact CG-CD1 4.45Å; E225-L229 HydrophobicContact CG-CG 4.29Å; E225-L229 WeakPolarHBondContact O-CG 3.5Å; E225-L229 PolarHBondContact O-N 3.49Å; Q227-L229 VanDerWaalsContact C-N 3.31Å; Q227-L229 PolarHBondContact O-N 3.01Å; L229-E231 VanDerWaalsContact C-N 3.32Å; L229-E231 PolarHBondContact O-N 3.37Å; L229-Y232 HydrophobicContact CD2-CD2 4.23Å; L229-Y232 HydrophobicContact CD2-CE2 4.49Å; L229-Y232 PolarHBondContact O-N 3.04Å; L229-E233 PolarHBondContact O-N 3.22Å; L229-E377 HydrophobicContact CD1-CB 4.22Å; L229-K378 HydrophobicContact CD2-CB 4.07Å; L229-K378 HydrophobicContact CD2-CG 4.15Å; L229-V381 HydrophobicContact CD2-CB 4.26Å; L229-V381 HydrophobicContact CD2-CG1 4.45Å; L229-V381 HydrophobicContact CD2-CG2 4.15Å
230	K	94.4	Very high	87.7	Confident	96 Å²	96	47.8 Å²	47.8	42%	0.417	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-38.7	174.3	-65.3	172.7	-169.1	165.9	0	111.9	E226 Q227 E233 L234	E226-K230 PolarHBondContact O-N 2.92Å; E226-K230 IonicContact OE1-NZ 2.68Å; E226-K230 PolarHBondContact OE1-NZ 3.46Å; Q227-K230 PolarHBondContact O-N 3.09Å; K230-E233 PolarHBondContact O-N 3.41Å; K230-L234 PolarHBondContact O-N 3.08Å; K230-L234 VanDerWaalsContact O-N 3.09Å
231	E	95.2	Very high	89.4	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-35.6	177.4	-70.6	-62	116.9	0	0	112.2	R184 L188 Q227 L228 L229 L234 V235 Y251 L255	R184-E231 IonicContact CZ-OE1 3.41Å; R184-E231 IonicContact CZ-OE2 3.95Å; R184-E231 IonicContact NE-OE1 3.07Å; R184-E231 IonicContact NE-OE2 3.67Å; R184-E231 PolarHBondContact NE-OE2 3.25Å; R184-E231 VanDerWaalsContact NE-OE2 3.09Å; R184-E231 IonicContact NH2-OE1 3.53Å; R184-E231 PolarHBondContact NH2-OE1 3.18Å; R184-E231 IonicContact NH2-OE2 3.25Å; L188-E231 HydrophobicContact CD1-CG 3.76Å; Q227-E231 PolarHBondContact NE2-OE1 2.97Å; Q227-E231 WeakPolarHBondContact O-CG 3.45Å; Q227-E231 PolarHBondContact O-N 3.18Å; L228-E231 PolarHBondContact O-N 3.06Å; L229-E231 VanDerWaalsContact C-N 3.32Å; L229-E231 PolarHBondContact O-N 3.37Å; E231-L234 PolarHBondContact O-N 3.38Å; E231-V235 WeakPolarHBondContact O-CG1 3.34Å; E231-V235 PolarHBondContact O-N 3.43Å; E231-Y251 WeakPolarHBondContact OE2-CE1 3.45Å; E231-Y251 PolarHBondContact OE2-OH 3.01Å; E231-L255 HydrophobicContact CB-CD1 3.84Å; E231-L255 HydrophobicContact CB-CD2 3.78Å; E231-L255 HydrophobicContact CB-CG 4.5Å; E231-L255 HydrophobicContact CG-CD2 4.32Å
232	Y	94.6	Very high	90.6	Very high	2 Å²	2	48 Å²	48	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-47.2	173.9	-72.2	-49.4	0	0	0	111.9	L228 L229 L234 V235 Q236 Y252 L255 L256 V381 L382	L228-Y232 HydrophobicContact CD1-CE2 4.19Å; L228-Y232 HydrophobicContact CD2-CE2 4.07Å; L228-Y232 HydrophobicContact CG-CD2 4.34Å; L228-Y232 HydrophobicContact CG-CE2 3.65Å; L228-Y232 WeakPolarHBondContact O-CD2 3.49Å; L228-Y232 PolarHBondContact O-N 3.23Å; L229-Y232 HydrophobicContact CD2-CD2 4.23Å; L229-Y232 HydrophobicContact CD2-CE2 4.49Å; L229-Y232 PolarHBondContact O-N 3.04Å; Y232-L234 PolarHBondContact O-N 2.74Å; Y232-V235 WeakPolarHBondContact O-CG1 3.35Å; Y232-V235 PolarHBondContact O-N 3.49Å; Y232-Q236 WeakPolarHBondContact O-CB 3.05Å; Y232-Q236 PolarHBondContact O-N 3.1Å; Y232-Y252 HydrophobicContact CD1-CD2 4.2Å; Y232-Y252 AromaticContact CD1-CE2 3.6Å; Y232-Y252 HydrophobicContact CD1-CE2 3.6Å; Y232-Y252 HydrophobicContact CE1-CE2 4.22Å; Y232-L255 HydrophobicContact CD1-CB 4.13Å; Y232-L255 HydrophobicContact CD1-CD1 3.97Å; Y232-L255 HydrophobicContact CE1-CB 3.54Å; Y232-L255 HydrophobicContact CE1-CD1 4.25Å; Y232-L255 PolarHBondContact OH-O 3.28Å; Y232-L256 HydrophobicContact CE1-CD2 3.97Å; Y232-L256 HydrophobicContact CE1-CG 4.43Å; Y232-V381 HydrophobicContact CD2-CG1 4.2Å; Y232-L382 HydrophobicContact CD2-CD2 4.36Å; Y232-L382 HydrophobicContact CE1-CD2 4.18Å; Y232-L382 HydrophobicContact CE2-CD2 3.95Å
233	E	93.3	Very high	91.3	Very high	123 Å²	123	44.7 Å²	44.7	58%	0.575	23%	0.226	S	C	*	.	H	α-helix	trans	-61.8	-43.4	176.8	-175.6	-178.7	-173.7	0	0	111.8	L229 K230 V235 Q236 N237	L229-E233 PolarHBondContact O-N 3.22Å; K230-E233 PolarHBondContact O-N 3.41Å; E233-V235 PolarHBondContact O-N 3Å; E233-Q236 PolarHBondContact O-N 3.18Å; E233-N237 PolarHBondContact O-N 3.46Å; E233-N237 VanDerWaalsContact O-N 3.11Å; E233-N237 PolarHBondContact O-ND2 2.86Å
234	L	93.8	Very high	91.3	Very high	54 Å²	54	49.8 Å²	49.8	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-48.9	179.7	176.2	63.5	0	0	0	112	W181 K230 E231 Y232 A238	W181-L234 HydrophobicContact CH2-CD2 4.21Å; W181-L234 HydrophobicContact CH2-CG 3.99Å; W181-L234 HydrophobicContact CZ3-CD2 4.04Å; W181-L234 HydrophobicContact CZ3-CG 4.26Å; K230-L234 PolarHBondContact O-N 3.08Å; K230-L234 VanDerWaalsContact O-N 3.09Å; E231-L234 PolarHBondContact O-N 3.38Å; Y232-L234 PolarHBondContact O-N 2.74Å; L234-A238 PolarHBondContact O-N 3.42Å
235	V	93.9	Very high	91.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-74.1	-30.9	-178.3	67.5	0	0	0	0	111.8	W181 E231 Y232 E233 A238 F239 A248 Y251 Y252 L255	W181-V235 HydrophobicContact CH2-CB 4.29Å; W181-V235 HydrophobicContact CZ3-CB 4.45Å; E231-V235 WeakPolarHBondContact O-CG1 3.34Å; E231-V235 PolarHBondContact O-N 3.43Å; Y232-V235 WeakPolarHBondContact O-CG1 3.35Å; Y232-V235 PolarHBondContact O-N 3.49Å; E233-V235 PolarHBondContact O-N 3Å; V235-A238 WeakPolarHBondContact O-CB 3.48Å; V235-A238 PolarHBondContact O-N 3.48Å; V235-A238 VanDerWaalsContact O-N 3.12Å; V235-F239 HydrophobicContact CG1-CE1 4.34Å; V235-F239 HydrophobicContact CG2-CD1 4.09Å; V235-F239 HydrophobicContact CG2-CE1 4.33Å; V235-F239 WeakPolarHBondContact O-CD1 3.41Å; V235-F239 WeakPolarHBondContact O-CE1 3.38Å; V235-F239 PolarHBondContact O-N 3.38Å; V235-F239 VanDerWaalsContact O-N 3.08Å; V235-A248 HydrophobicContact CG2-CB 3.88Å; V235-A248 WeakPolarHBondContact CG2-O 3.4Å; V235-Y251 HydrophobicContact CB-CD1 4.21Å; V235-Y251 HydrophobicContact CG2-CD1 4.05Å; V235-Y252 HydrophobicContact CG1-CD2 3.41Å; V235-Y252 VanDerWaalsContact CG1-CD2 3.41Å; V235-Y252 HydrophobicContact CG1-CE2 4Å; V235-Y252 HydrophobicContact CG1-CG 4.46Å; V235-Y252 HydrophobicContact CG2-CD2 4.39Å; V235-L255 HydrophobicContact CG1-CD1 3.82Å
236	Q	92.6	Very high	91.5	Very high	37 Å²	37	50.4 Å²	50.4	17%	0.173	25%	0.253	C	S	.	.	H	α-helix	trans	-56.1	-53.3	172.4	-175.7	-176.7	59.4	0	0	110.1	Y232 E233 A238 F239 F240 E385	Y232-Q236 WeakPolarHBondContact O-CB 3.05Å; Y232-Q236 PolarHBondContact O-N 3.1Å; E233-Q236 PolarHBondContact O-N 3.18Å; Q236-A238 PolarHBondContact O-N 3.18Å; Q236-A238 VanDerWaalsContact O-N 3.15Å; Q236-F239 VanDerWaalsContact CA-CE1 3.48Å; Q236-F239 VanDerWaalsContact CA-CZ 3.49Å; Q236-F239 HydrophobicContact CB-CE1 4.37Å; Q236-F239 HydrophobicContact CB-CZ 4.03Å; Q236-F239 HydrophobicContact CG-CE2 4.21Å; Q236-F239 HydrophobicContact CG-CZ 4.04Å; Q236-F239 PolarHBondContact O-N 2.94Å; Q236-F240 HydrophobicContact CG-CD2 3.48Å; Q236-F240 VanDerWaalsContact CG-CD2 3.48Å; Q236-F240 HydrophobicContact CG-CE2 3.58Å; Q236-F240 WeakPolarHBondContact O-CB 3.24Å; Q236-F240 VanDerWaalsContact O-CD2 3.31Å; Q236-F240 WeakPolarHBondContact O-CD2 3.38Å; Q236-F240 PolarHBondContact O-N 3.27Å; Q236-E385 WeakPolarHBondContact CB-OE1 3.22Å; Q236-E385 VanDerWaalsContact CD-CD 3.49Å; Q236-E385 VanDerWaalsContact CD-OE2 3.31Å; Q236-E385 WeakPolarHBondContact CG-OE2 3.39Å; Q236-E385 PolarHBondContact NE2-OE1 2.9Å; Q236-E385 PolarHBondContact NE2-OE2 3.07Å
237	N	90.9	Very high	91.6	Very high	90 Å²	90	44.2 Å²	44.2	48%	0.481	22%	0.224	S	C	.	.	H	α-helix	trans	-54.4	-37.8	176.5	-72.6	-48	0	0	0	112.6	E233 T241	E233-N237 PolarHBondContact O-N 3.46Å; E233-N237 VanDerWaalsContact O-N 3.11Å; E233-N237 PolarHBondContact O-ND2 2.86Å; N237-T241 VanDerWaalsContact O-CB 3.31Å; N237-T241 WeakPolarHBondContact O-CB 3.48Å; N237-T241 PolarHBondContact O-N 3.05Å; N237-T241 VanDerWaalsContact O-N 3.12Å; N237-T241 PolarHBondContact O-OG1 2.92Å
238	A	91.3	Very high	91.8	Very high	6 Å²	6	43.1 Å²	43.1	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-53.7	178.8	0	0	0	0	0	112.7	F175 W181 L234 V235 Q236 F240 T241 D242 A248	F175-A238 HydrophobicContact CB-CB 3.95Å; W181-A238 HydrophobicContact CH2-CB 4.39Å; W181-A238 HydrophobicContact CZ2-CB 3.84Å; L234-A238 PolarHBondContact O-N 3.42Å; V235-A238 WeakPolarHBondContact O-CB 3.48Å; V235-A238 PolarHBondContact O-N 3.48Å; V235-A238 VanDerWaalsContact O-N 3.12Å; Q236-A238 PolarHBondContact O-N 3.18Å; Q236-A238 VanDerWaalsContact O-N 3.15Å; A238-F240 PolarHBondContact O-N 2.96Å; A238-T241 PolarHBondContact O-N 3.28Å; A238-D242 PolarHBondContact O-N 3.42Å; A238-D242 VanDerWaalsContact O-N 3.13Å; A238-A248 HydrophobicContact CB-CB 3.85Å
239	F	89.6	Confident	92	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-78.2	-17.5	-176.9	63.3	-115.3	0	0	0	114.1	V235 Q236 D242 P243 A248 W249 Y252 V389	V235-F239 HydrophobicContact CG1-CE1 4.34Å; V235-F239 HydrophobicContact CG2-CD1 4.09Å; V235-F239 HydrophobicContact CG2-CE1 4.33Å; V235-F239 WeakPolarHBondContact O-CD1 3.41Å; V235-F239 WeakPolarHBondContact O-CE1 3.38Å; V235-F239 PolarHBondContact O-N 3.38Å; V235-F239 VanDerWaalsContact O-N 3.08Å; Q236-F239 VanDerWaalsContact CA-CE1 3.48Å; Q236-F239 VanDerWaalsContact CA-CZ 3.49Å; Q236-F239 HydrophobicContact CB-CE1 4.37Å; Q236-F239 HydrophobicContact CB-CZ 4.03Å; Q236-F239 HydrophobicContact CG-CE2 4.21Å; Q236-F239 HydrophobicContact CG-CZ 4.04Å; Q236-F239 PolarHBondContact O-N 2.94Å; F239-D242 CarbonylContact O-C 3.36Å; F239-P243 WeakPolarHBondContact O-CA 3.41Å; F239-P243 WeakPolarHBondContact O-CG 3.5Å; F239-P243 VanDerWaalsContact O-N 3.11Å; F239-A248 HydrophobicContact CB-CB 3.97Å; F239-A248 HydrophobicContact CD1-CB 4.38Å; F239-W249 HydrophobicContact CB-CD2 3.89Å; F239-W249 HydrophobicContact CB-CE3 4.27Å; F239-W249 HydrophobicContact CB-CG 4.5Å; F239-W249 HydrophobicContact CB-CH2 4.01Å; F239-W249 HydrophobicContact CB-CZ2 3.59Å; F239-W249 HydrophobicContact CB-CZ3 4.31Å; F239-W249 HydrophobicContact CD1-CD2 4.29Å; F239-W249 AromaticContact CD1-CE3 3.91Å; F239-W249 HydrophobicContact CD1-CE3 3.91Å; F239-W249 HydrophobicContact CD1-CH2 4.3Å; F239-W249 AromaticContact CD1-CZ3 3.9Å; F239-W249 HydrophobicContact CD1-CZ3 3.9Å; F239-W249 HydrophobicContact CD2-CE3 4.24Å; F239-W249 AromaticContact CD2-CH2 3.15Å; F239-W249 HydrophobicContact CD2-CH2 3.15Å; F239-W249 AromaticContact CD2-CZ2 3.6Å; F239-W249 HydrophobicContact CD2-CZ2 3.6Å; F239-W249 AromaticContact CD2-CZ3 3.52Å; F239-W249 HydrophobicContact CD2-CZ3 3.52Å; F239-W249 HydrophobicContact CE1-CE3 4.27Å; F239-W249 HydrophobicContact CE1-CZ3 4.03Å; F239-W249 AromaticContact CE2-CH2 3.57Å; F239-W249 HydrophobicContact CE2-CH2 3.57Å; F239-W249 HydrophobicContact CE2-CZ2 4.44Å; F239-W249 AromaticContact CE2-CZ3 3.63Å; F239-W249 HydrophobicContact CE2-CZ3 3.63Å; F239-W249 HydrophobicContact CG-CD2 4.05Å; F239-W249 AromaticContact CG-CE2 3.94Å; F239-W249 AromaticContact CG-CE3 3.9Å; F239-W249 HydrophobicContact CG-CE3 3.9Å; F239-W249 AromaticContact CG-CH2 3.59Å; F239-W249 HydrophobicContact CG-CH2 3.59Å; F239-W249 AromaticContact CG-CZ2 3.74Å; F239-W249 HydrophobicContact CG-CZ2 3.74Å; F239-W249 AromaticContact CG-CZ3 3.66Å; F239-W249 HydrophobicContact CG-CZ3 3.66Å; F239-W249 HydrophobicContact CZ-CH2 4.31Å; F239-W249 AromaticContact CZ-CZ3 3.9Å; F239-W249 HydrophobicContact CZ-CZ3 3.9Å; F239-Y252 AromaticContact CE1-CD2 3.63Å; F239-Y252 HydrophobicContact CE1-CD2 3.63Å; F239-Y252 AromaticContact CE1-CE2 3.99Å; F239-Y252 HydrophobicContact CE1-CE2 3.99Å; F239-Y252 HydrophobicContact CE1-CG 4.12Å; F239-Y252 HydrophobicContact CZ-CD2 4.32Å; F239-Y252 HydrophobicContact CZ-CE2 4.26Å; F239-V389 HydrophobicContact CE2-CG2 4.01Å; F239-V389 HydrophobicContact CZ-CG2 4.29Å
240	F	88.8	Confident	92.1	Very high	71 Å²	71	44.4 Å²	44.4	31%	0.311	22%	0.223	S	C	.	.	H	α-helix	trans	-76.6	-28.9	167.1	-87.6	-80.5	0	0	0	112.8	Q236 A238 S388 L392	Q236-F240 HydrophobicContact CG-CD2 3.48Å; Q236-F240 VanDerWaalsContact CG-CD2 3.48Å; Q236-F240 HydrophobicContact CG-CE2 3.58Å; Q236-F240 WeakPolarHBondContact O-CB 3.24Å; Q236-F240 VanDerWaalsContact O-CD2 3.31Å; Q236-F240 WeakPolarHBondContact O-CD2 3.38Å; Q236-F240 PolarHBondContact O-N 3.27Å; A238-F240 PolarHBondContact O-N 2.96Å; F240-S388 VanDerWaalsContact CZ-C 3.47Å; F240-S388 VanDerWaalsContact CZ-CB 3.43Å; F240-S388 WeakPolarHBondContact CZ-O 3.48Å; F240-L392 HydrophobicContact CD1-CD1 4.34Å; F240-L392 HydrophobicContact CD1-CD2 4.07Å; F240-L392 HydrophobicContact CE1-CB 3.77Å; F240-L392 HydrophobicContact CE1-CD1 4.34Å; F240-L392 HydrophobicContact CE1-CD2 3.95Å; F240-L392 HydrophobicContact CE1-CG 4.24Å; F240-L392 HydrophobicContact CZ-CB 4.23Å; F240-L392 HydrophobicContact CZ-CD2 4.33Å
241	T	88.6	Confident	92.1	Very high	99 Å²	99	40.3 Å²	40.3	61%	0.607	20%	0.204	S	C	*	.	H	α-helix	trans	-73.4	-40.1	176.3	-59.7	0	0	0	0	111.3	F175 N237 A238	F175-T241 HydrophobicContact CD1-CG2 4.3Å; F175-T241 HydrophobicContact CE1-CG2 3.73Å; F175-T241 HydrophobicContact CZ-CG2 4.22Å; N237-T241 VanDerWaalsContact O-CB 3.31Å; N237-T241 WeakPolarHBondContact O-CB 3.48Å; N237-T241 PolarHBondContact O-N 3.05Å; N237-T241 VanDerWaalsContact O-N 3.12Å; N237-T241 PolarHBondContact O-OG1 2.92Å; A238-T241 PolarHBondContact O-N 3.28Å
242	D	89.1	Confident	92.1	Very high	49 Å²	49	40.1 Å²	40.1	26%	0.262	20%	0.204	S	C	.	.			trans	-139.3	93.3	171.9	-176.2	1.1	0	0	0	110.8	F175 A238 F239 N244 D245	F175-D242 HydrophobicContact CD2-CB 4.12Å; F175-D242 HydrophobicContact CE2-CB 3.14Å; F175-D242 HydrophobicContact CZ-CB 3.43Å; F175-D242 VanDerWaalsContact CZ-CB 3.43Å; A238-D242 PolarHBondContact O-N 3.42Å; A238-D242 VanDerWaalsContact O-N 3.13Å; F239-D242 CarbonylContact O-C 3.36Å; D242-N244 PolarHBondContact O-N 3.41Å; D242-N244 VanDerWaalsContact O-N 3.09Å; D242-N244 WeakPolarHBondContact OD1-CB 3.43Å; D242-N244 PolarHBondContact OD1-N 3.4Å; D242-N244 VanDerWaalsContact OD1-N 3.08Å; D242-D245 HydrophobicContact CB-CB 4.33Å; D242-D245 PolarHBondContact O-N 3.45Å
243	P	90.6	Very high	92.2	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.078	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.4	179.4	-27.8	37.7	0	0	0	114.5	F239 W249 L392 E396 N399	F239-P243 WeakPolarHBondContact O-CA 3.41Å; F239-P243 WeakPolarHBondContact O-CG 3.5Å; F239-P243 VanDerWaalsContact O-N 3.11Å; P243-W249 PolarHBondContact O-NE1 2.83Å; P243-L392 HydrophobicContact CB-CD1 4.45Å; P243-L392 HydrophobicContact CB-CD2 4.15Å; P243-L392 HydrophobicContact CG-CD1 3.82Å; P243-L392 HydrophobicContact CG-CD2 4.06Å; P243-L392 HydrophobicContact CG-CG 4.41Å; P243-E396 VanDerWaalsContact CB-OE2 3.26Å; P243-E396 WeakPolarHBondContact CB-OE2 3.07Å; P243-E396 WeakPolarHBondContact CG-OE1 3.11Å; P243-N399 WeakPolarHBondContact CB-ND2 3.15Å; P243-N399 PolarHBondContact O-ND2 3.19Å
244	N	87.9	Confident	92.2	Very high	111 Å²	111	41 Å²	41	59%	0.594	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.3	179.4	-66.8	-69	0	0	0	112.6	D242 Q246	D242-N244 PolarHBondContact O-N 3.41Å; D242-N244 VanDerWaalsContact O-N 3.09Å; D242-N244 WeakPolarHBondContact OD1-CB 3.43Å; D242-N244 PolarHBondContact OD1-N 3.4Å; D242-N244 VanDerWaalsContact OD1-N 3.08Å; N244-Q246 PolarHBondContact O-N 2.59Å; N244-Q246 VanDerWaalsContact O-N 3.11Å
245	D	86.4	Confident	92.1	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.043	19%	0.19	C	C	.	.			trans	-70	108.6	176.2	178.2	55.2	0	0	0	111.4	F175 S176 D242 S247 A248	F175-D245 HydrophobicContact CD2-CB 4.33Å; F175-D245 HydrophobicContact CE2-CB 4.33Å; S176-D245 VanDerWaalsContact CA-CG 3.5Å; S176-D245 VanDerWaalsContact CA-OD1 3.3Å; S176-D245 WeakPolarHBondContact CA-OD1 3.14Å; S176-D245 WeakPolarHBondContact CB-OD1 3.34Å; S176-D245 PolarHBondContact OG-OD1 3.22Å; D242-D245 HydrophobicContact CB-CB 4.33Å; D242-D245 PolarHBondContact O-N 3.45Å; D245-S247 PolarHBondContact O-N 3.06Å; D245-S247 PolarHBondContact OD1-N 3Å; D245-S247 PolarHBondContact OD1-OG 2.98Å; D245-S247 WeakPolarHBondContact OD2-CB 3.31Å; D245-S247 PolarHBondContact OD2-N 3.27Å; D245-S247 VanDerWaalsContact OD2-N 3.09Å; D245-S247 PolarHBondContact OD2-OG 2.77Å; D245-A248 PolarHBondContact OD2-N 3.47Å; D245-A248 VanDerWaalsContact OD2-N 3.09Å
246	Q	92.6	Very high	92	Very high	91 Å²	91	40.3 Å²	40.3	43%	0.425	20%	0.198	S	C	.	.	H	α-helix	trans	-67.1	-22.2	178.6	65	177.8	50	0	0	113.9	N244 W249 F250 W401	N244-Q246 PolarHBondContact O-N 2.59Å; N244-Q246 VanDerWaalsContact O-N 3.11Å; Q246-W249 PolarHBondContact O-N 3.3Å; Q246-F250 HydrophobicContact CB-CD2 4.15Å; Q246-F250 HydrophobicContact CB-CE2 4.12Å; Q246-F250 HydrophobicContact CG-CD2 4.43Å; Q246-F250 HydrophobicContact CG-CE2 4.42Å; Q246-F250 WeakPolarHBondContact O-CD2 3.28Å; Q246-F250 PolarHBondContact O-N 3.39Å; Q246-W401 HydrophobicContact CB-CD2 4.43Å; Q246-W401 HydrophobicContact CB-CH2 3.9Å; Q246-W401 HydrophobicContact CB-CZ2 3.35Å; Q246-W401 HydrophobicContact CG-CZ2 4.45Å
247	S	93.9	Very high	91.6	Very high	1 Å²	1	40 Å²	40	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-69.7	-42.7	-168.2	77.7	0	0	0	0	112.7	F175 W181 D245 F250 Y251	F175-S247 PolarHBondContact O-OG 3.24Å; W181-S247 VanDerWaalsContact CD1-OG 3.31Å; W181-S247 PolarHBondContact NE1-OG 2.97Å; D245-S247 PolarHBondContact O-N 3.06Å; D245-S247 PolarHBondContact OD1-N 3Å; D245-S247 PolarHBondContact OD1-OG 2.98Å; D245-S247 WeakPolarHBondContact OD2-CB 3.31Å; D245-S247 PolarHBondContact OD2-N 3.27Å; D245-S247 VanDerWaalsContact OD2-N 3.09Å; D245-S247 PolarHBondContact OD2-OG 2.77Å; S247-F250 PolarHBondContact O-N 2.96Å; S247-Y251 PolarHBondContact O-N 3.36Å
248	A	94.9	Very high	90.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-45.2	172.2	0	0	0	0	0	111.6	V235 A238 F239 D245 F250 Y251 Y252	V235-A248 HydrophobicContact CG2-CB 3.88Å; V235-A248 WeakPolarHBondContact CG2-O 3.4Å; A238-A248 HydrophobicContact CB-CB 3.85Å; F239-A248 HydrophobicContact CB-CB 3.97Å; F239-A248 HydrophobicContact CD1-CB 4.38Å; D245-A248 PolarHBondContact OD2-N 3.47Å; D245-A248 VanDerWaalsContact OD2-N 3.09Å; A248-F250 PolarHBondContact O-N 3.41Å; A248-Y251 PolarHBondContact O-N 3.41Å; A248-Y252 WeakPolarHBondContact O-CB 3.12Å; A248-Y252 PolarHBondContact O-N 2.66Å
249	W	95.9	Very high	90	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-40	178.4	-61.7	116	0	0	0	113.7	F239 P243 Q246 Y252 R253 V389 L392 W401 T405	F239-W249 HydrophobicContact CB-CD2 3.89Å; F239-W249 HydrophobicContact CB-CE3 4.27Å; F239-W249 HydrophobicContact CB-CG 4.5Å; F239-W249 HydrophobicContact CB-CH2 4.01Å; F239-W249 HydrophobicContact CB-CZ2 3.59Å; F239-W249 HydrophobicContact CB-CZ3 4.31Å; F239-W249 HydrophobicContact CD1-CD2 4.29Å; F239-W249 AromaticContact CD1-CE3 3.91Å; F239-W249 HydrophobicContact CD1-CE3 3.91Å; F239-W249 HydrophobicContact CD1-CH2 4.3Å; F239-W249 AromaticContact CD1-CZ3 3.9Å; F239-W249 HydrophobicContact CD1-CZ3 3.9Å; F239-W249 HydrophobicContact CD2-CE3 4.24Å; F239-W249 AromaticContact CD2-CH2 3.15Å; F239-W249 HydrophobicContact CD2-CH2 3.15Å; F239-W249 AromaticContact CD2-CZ2 3.6Å; F239-W249 HydrophobicContact CD2-CZ2 3.6Å; F239-W249 AromaticContact CD2-CZ3 3.52Å; F239-W249 HydrophobicContact CD2-CZ3 3.52Å; F239-W249 HydrophobicContact CE1-CE3 4.27Å; F239-W249 HydrophobicContact CE1-CZ3 4.03Å; F239-W249 AromaticContact CE2-CH2 3.57Å; F239-W249 HydrophobicContact CE2-CH2 3.57Å; F239-W249 HydrophobicContact CE2-CZ2 4.44Å; F239-W249 AromaticContact CE2-CZ3 3.63Å; F239-W249 HydrophobicContact CE2-CZ3 3.63Å; F239-W249 HydrophobicContact CG-CD2 4.05Å; F239-W249 AromaticContact CG-CE2 3.94Å; F239-W249 AromaticContact CG-CE3 3.9Å; F239-W249 HydrophobicContact CG-CE3 3.9Å; F239-W249 AromaticContact CG-CH2 3.59Å; F239-W249 HydrophobicContact CG-CH2 3.59Å; F239-W249 AromaticContact CG-CZ2 3.74Å; F239-W249 HydrophobicContact CG-CZ2 3.74Å; F239-W249 AromaticContact CG-CZ3 3.66Å; F239-W249 HydrophobicContact CG-CZ3 3.66Å; F239-W249 HydrophobicContact CZ-CH2 4.31Å; F239-W249 AromaticContact CZ-CZ3 3.9Å; F239-W249 HydrophobicContact CZ-CZ3 3.9Å; P243-W249 PolarHBondContact O-NE1 2.83Å; Q246-W249 PolarHBondContact O-N 3.3Å; W249-Y252 WeakPolarHBondContact O-CB 3.21Å; W249-Y252 PolarHBondContact O-N 3.47Å; W249-R253 WeakPolarHBondContact O-CB 3.44Å; W249-R253 PolarHBondContact O-N 3.48Å; W249-V389 HydrophobicContact CH2-CG1 4.25Å; W249-V389 HydrophobicContact CH2-CG2 4.49Å; W249-V389 HydrophobicContact CZ3-CG1 4.38Å; W249-V389 HydrophobicContact CZ3-CG2 4.38Å; W249-L392 HydrophobicContact CH2-CD2 4.11Å; W249-L392 HydrophobicContact CZ2-CD2 4.11Å; W249-W401 HydrophobicContact CB-CB 4.15Å; W249-W401 HydrophobicContact CB-CE3 4.36Å; W249-W401 HydrophobicContact CB-CG 4.45Å; W249-W401 AromaticContact CD1-CD1 3.83Å; W249-W401 AromaticContact CD1-CG 3.54Å; W249-W401 HydrophobicContact CD2-CB 3.7Å; W249-W401 HydrophobicContact CG-CB 3.5Å; W249-W401 HydrophobicContact CG-CG 4.01Å; W249-W401 HydrophobicContact CZ2-CB 4.45Å; W249-W401 AromaticContact NE1-CG 3.95Å; W249-T405 HydrophobicContact CE3-CG2 4.15Å; W249-T405 HydrophobicContact CZ3-CG2 3.91Å
250	F	95.7	Very high	89.2	Confident	74 Å²	74	47.3 Å²	47.3	33%	0.325	24%	0.236	S	C	.	.	H	α-helix	trans	-66.1	-39.3	175.1	-85.1	-69.8	0	0	0	112	Y178 Q246 S247 A248 R253 W254 W401	Y178-F250 HydrophobicContact CE2-CB 3.92Å; Y178-F250 HydrophobicContact CE2-CD2 4.25Å; Y178-F250 HydrophobicContact CE2-CG 4.22Å; Q246-F250 HydrophobicContact CB-CD2 4.15Å; Q246-F250 HydrophobicContact CB-CE2 4.12Å; Q246-F250 HydrophobicContact CG-CD2 4.43Å; Q246-F250 HydrophobicContact CG-CE2 4.42Å; Q246-F250 WeakPolarHBondContact O-CD2 3.28Å; Q246-F250 PolarHBondContact O-N 3.39Å; S247-F250 PolarHBondContact O-N 2.96Å; A248-F250 PolarHBondContact O-N 3.41Å; F250-R253 PolarHBondContact O-N 3.47Å; F250-W254 PolarHBondContact O-N 2.99Å; F250-W254 VanDerWaalsContact O-N 3.09Å; F250-W401 HydrophobicContact CD2-CH2 4.4Å; F250-W401 HydrophobicContact CD2-CZ3 4.37Å; F250-W401 AromaticContact CE2-CH2 3.44Å; F250-W401 HydrophobicContact CE2-CH2 3.44Å; F250-W401 VanDerWaalsContact CE2-CH2 3.44Å; F250-W401 HydrophobicContact CE2-CZ2 4.39Å; F250-W401 AromaticContact CE2-CZ3 3.64Å; F250-W401 HydrophobicContact CE2-CZ3 3.64Å; F250-W401 AromaticContact CZ-CH2 3.73Å; F250-W401 HydrophobicContact CZ-CH2 3.73Å; F250-W401 AromaticContact CZ-CZ3 3.72Å; F250-W401 HydrophobicContact CZ-CZ3 3.72Å
251	Y	95.8	Very high	88.6	Confident	9 Å²	9	47.7 Å²	47.7	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-41.7	174.4	-173.4	-108.9	0	0	0	111.6	W181 R184 L188 E231 V235 S247 A248 R253 W254 L255	W181-Y251 HydrophobicContact CB-CD2 3.98Å; W181-Y251 HydrophobicContact CB-CG 4.06Å; W181-Y251 HydrophobicContact CD2-CD1 4.13Å; W181-Y251 HydrophobicContact CD2-CG 4.13Å; W181-Y251 AromaticContact CE3-CD1 3.32Å; W181-Y251 HydrophobicContact CE3-CD1 3.32Å; W181-Y251 HydrophobicContact CE3-CD2 4.2Å; W181-Y251 AromaticContact CE3-CE1 3.52Å; W181-Y251 HydrophobicContact CE3-CE1 3.52Å; W181-Y251 HydrophobicContact CE3-CE2 4.37Å; W181-Y251 AromaticContact CE3-CG 3.67Å; W181-Y251 HydrophobicContact CE3-CG 3.67Å; W181-Y251 HydrophobicContact CG-CG 4.33Å; W181-Y251 AromaticContact CZ3-CD1 3.65Å; W181-Y251 HydrophobicContact CZ3-CD1 3.65Å; W181-Y251 AromaticContact CZ3-CE1 3.65Å; W181-Y251 HydrophobicContact CZ3-CE1 3.65Å; W181-Y251 HydrophobicContact CZ3-CG 4.44Å; W181-Y251 WeakPolarHBondContact O-CE2 3.5Å; R184-Y251 HydrophobicContact CB-CE2 4.24Å; L188-Y251 WeakPolarHBondContact CD1-OH 3.21Å; E231-Y251 WeakPolarHBondContact OE2-CE1 3.45Å; E231-Y251 PolarHBondContact OE2-OH 3.01Å; V235-Y251 HydrophobicContact CB-CD1 4.21Å; V235-Y251 HydrophobicContact CG2-CD1 4.05Å; S247-Y251 PolarHBondContact O-N 3.36Å; A248-Y251 PolarHBondContact O-N 3.41Å; Y251-R253 VanDerWaalsContact C-N 3.33Å; Y251-R253 PolarHBondContact O-N 3.5Å; Y251-W254 AromaticContact CD2-CE3 3.95Å; Y251-W254 HydrophobicContact CD2-CE3 3.95Å; Y251-W254 HydrophobicContact CD2-CZ3 4.48Å; Y251-W254 AromaticContact CE2-CE3 3.56Å; Y251-W254 HydrophobicContact CE2-CE3 3.56Å; Y251-W254 AromaticContact CE2-CZ3 3.64Å; Y251-W254 HydrophobicContact CE2-CZ3 3.64Å; Y251-W254 AromaticContact CZ-CZ3 3.89Å; Y251-W254 CarbonylContact O-C 3.53Å; Y251-W254 WeakPolarHBondContact O-CA 3.3Å; Y251-W254 VanDerWaalsContact O-CB 3.28Å; Y251-W254 WeakPolarHBondContact O-CB 3.36Å; Y251-W254 PolarHBondContact O-N 3.2Å; Y251-L255 HydrophobicContact CD1-CD1 3.97Å; Y251-L255 HydrophobicContact CD1-CG 4.22Å; Y251-L255 HydrophobicContact CE1-CD1 3.79Å; Y251-L255 HydrophobicContact CE1-CD2 4.01Å; Y251-L255 HydrophobicContact CE1-CG 4.01Å; Y251-L255 PolarHBondContact O-N 3.31Å
252	Y	95.2	Very high	88.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.1	-47.6	173.7	-166	-97.2	0	0	0	112	Y232 V235 F239 A248 W249 W254 L255 L256 E385 T405 L409	Y232-Y252 HydrophobicContact CD1-CD2 4.2Å; Y232-Y252 AromaticContact CD1-CE2 3.6Å; Y232-Y252 HydrophobicContact CD1-CE2 3.6Å; Y232-Y252 HydrophobicContact CE1-CE2 4.22Å; V235-Y252 HydrophobicContact CG1-CD2 3.41Å; V235-Y252 VanDerWaalsContact CG1-CD2 3.41Å; V235-Y252 HydrophobicContact CG1-CE2 4Å; V235-Y252 HydrophobicContact CG1-CG 4.46Å; V235-Y252 HydrophobicContact CG2-CD2 4.39Å; F239-Y252 AromaticContact CE1-CD2 3.63Å; F239-Y252 HydrophobicContact CE1-CD2 3.63Å; F239-Y252 AromaticContact CE1-CE2 3.99Å; F239-Y252 HydrophobicContact CE1-CE2 3.99Å; F239-Y252 HydrophobicContact CE1-CG 4.12Å; F239-Y252 HydrophobicContact CZ-CD2 4.32Å; F239-Y252 HydrophobicContact CZ-CE2 4.26Å; A248-Y252 WeakPolarHBondContact O-CB 3.12Å; A248-Y252 PolarHBondContact O-N 2.66Å; W249-Y252 WeakPolarHBondContact O-CB 3.21Å; W249-Y252 PolarHBondContact O-N 3.47Å; Y252-W254 PolarHBondContact O-N 3.01Å; Y252-L255 WeakPolarHBondContact O-CB 3.02Å; Y252-L255 PolarHBondContact O-N 2.66Å; Y252-L256 HydrophobicContact CD1-CD1 3.81Å; Y252-L256 HydrophobicContact CD1-CG 4.06Å; Y252-L256 HydrophobicContact CE1-CD1 3.6Å; Y252-L256 HydrophobicContact CE1-CD2 4.19Å; Y252-L256 HydrophobicContact CE1-CG 3.85Å; Y252-L256 PolarHBondContact O-N 3.06Å; Y252-E385 VanDerWaalsContact OH-CB 3.31Å; Y252-E385 WeakPolarHBondContact OH-CB 3.46Å; Y252-E385 VanDerWaalsContact OH-CG 3.26Å; Y252-E385 WeakPolarHBondContact OH-CG 3.4Å; Y252-T405 HydrophobicContact CD1-CG2 3.57Å; Y252-T405 HydrophobicContact CE1-CG2 3.58Å; Y252-L409 HydrophobicContact CE1-CD1 4.3Å; Y252-L409 HydrophobicContact CE1-CD2 4.11Å; Y252-L409 HydrophobicContact CE1-CG 4.19Å; Y252-L409 WeakPolarHBondContact OH-CD2 3.41Å
253	R	95.1	Very high	88	Confident	88 Å²	88	49 Å²	49	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-32.3	174.7	-178.6	172.5	-173.4	-169.9	1.6	112.3	W249 F250 Y251 G257 L408 Y439	W249-R253 WeakPolarHBondContact O-CB 3.44Å; W249-R253 PolarHBondContact O-N 3.48Å; F250-R253 PolarHBondContact O-N 3.47Å; Y251-R253 VanDerWaalsContact C-N 3.33Å; Y251-R253 PolarHBondContact O-N 3.5Å; R253-G257 PolarHBondContact O-N 2.93Å; R253-L408 HydrophobicContact CB-CD1 4.19Å; R253-L408 HydrophobicContact CG-CD1 3.77Å; R253-Y439 PolarHBondContact NH1-OH 3.18Å; R253-Y439 PolarHBondContact NH2-OH 3.3Å
254	W	93.8	Very high	87.9	Confident	56 Å²	56	50.4 Å²	50.4	21%	0.212	24%	0.239	C	C	.	.	H	α-helix	trans	-70	-39.2	172.6	173.9	94.5	0	0	0	112	S185 L188 R222 V223 F250 Y251 Y252 G257	S185-W254 WeakPolarHBondContact O-CZ2 3.47Å; L188-W254 HydrophobicContact CD1-CZ3 4.5Å; R222-W254 HydrophobicContact CB-CZ2 4.27Å; R222-W254 VanDerWaalsContact NH1-CG 3.28Å; R222-W254 VanDerWaalsContact NH1-NE1 3.2Å; R222-W254 PolarHBondContact NH1-O 2.93Å; V223-W254 HydrophobicContact CG2-CH2 4.05Å; F250-W254 PolarHBondContact O-N 2.99Å; F250-W254 VanDerWaalsContact O-N 3.09Å; Y251-W254 AromaticContact CD2-CE3 3.95Å; Y251-W254 HydrophobicContact CD2-CE3 3.95Å; Y251-W254 HydrophobicContact CD2-CZ3 4.48Å; Y251-W254 AromaticContact CE2-CE3 3.56Å; Y251-W254 HydrophobicContact CE2-CE3 3.56Å; Y251-W254 AromaticContact CE2-CZ3 3.64Å; Y251-W254 HydrophobicContact CE2-CZ3 3.64Å; Y251-W254 AromaticContact CZ-CZ3 3.89Å; Y251-W254 CarbonylContact O-C 3.53Å; Y251-W254 WeakPolarHBondContact O-CA 3.3Å; Y251-W254 VanDerWaalsContact O-CB 3.28Å; Y251-W254 WeakPolarHBondContact O-CB 3.36Å; Y251-W254 PolarHBondContact O-N 3.2Å; Y252-W254 PolarHBondContact O-N 3.01Å; W254-G257 PolarHBondContact O-N 3.08Å; W254-G257 VanDerWaalsContact O-N 3.07Å
255	L	92.6	Very high	88.1	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-41.4	175.4	-64.1	172.6	0	0	0	112.3	L228 E231 Y232 V235 Y251 Y252 G257	L228-L255 HydrophobicContact CD1-CB 3.95Å; L228-L255 HydrophobicContact CD1-CD2 3.8Å; L228-L255 HydrophobicContact CD1-CG 4.43Å; E231-L255 HydrophobicContact CB-CD1 3.84Å; E231-L255 HydrophobicContact CB-CD2 3.78Å; E231-L255 HydrophobicContact CB-CG 4.5Å; E231-L255 HydrophobicContact CG-CD2 4.32Å; Y232-L255 HydrophobicContact CD1-CB 4.13Å; Y232-L255 HydrophobicContact CD1-CD1 3.97Å; Y232-L255 HydrophobicContact CE1-CB 3.54Å; Y232-L255 HydrophobicContact CE1-CD1 4.25Å; Y232-L255 PolarHBondContact OH-O 3.28Å; V235-L255 HydrophobicContact CG1-CD1 3.82Å; Y251-L255 HydrophobicContact CD1-CD1 3.97Å; Y251-L255 HydrophobicContact CD1-CG 4.22Å; Y251-L255 HydrophobicContact CE1-CD1 3.79Å; Y251-L255 HydrophobicContact CE1-CD2 4.01Å; Y251-L255 HydrophobicContact CE1-CG 4.01Å; Y251-L255 PolarHBondContact O-N 3.31Å; Y252-L255 WeakPolarHBondContact O-CB 3.02Å; Y252-L255 PolarHBondContact O-N 2.66Å; L255-G257 PolarHBondContact O-N 3.37Å
256	L	90.7	Very high	88.4	Confident	32 Å²	32	45 Å²	45	17%	0.168	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.7	172.9	-67.7	-178.8	0	0	0	113.4	Y232 Y252 L382 L408 L409 A412	Y232-L256 HydrophobicContact CE1-CD2 3.97Å; Y232-L256 HydrophobicContact CE1-CG 4.43Å; Y252-L256 HydrophobicContact CD1-CD1 3.81Å; Y252-L256 HydrophobicContact CD1-CG 4.06Å; Y252-L256 HydrophobicContact CE1-CD1 3.6Å; Y252-L256 HydrophobicContact CE1-CD2 4.19Å; Y252-L256 HydrophobicContact CE1-CG 3.85Å; Y252-L256 PolarHBondContact O-N 3.06Å; L256-L382 HydrophobicContact CD2-CD1 4.32Å; L256-L382 HydrophobicContact CD2-CD2 3.75Å; L256-L408 HydrophobicContact CD1-CB 3.83Å; L256-L409 HydrophobicContact CD1-CD2 4.39Å; L256-L409 HydrophobicContact CD1-CG 4.45Å; L256-L409 HydrophobicContact CD2-CD2 4.12Å; L256-A412 HydrophobicContact CD2-CB 4.43Å
257	G	84.4	Confident	88.6	Confident	30 Å²	30	40.8 Å²	40.8	31%	0.309	19%	0.191	S	C	.	.	S	Bend	trans	-75.2	175.5	-179.7	0	0	0	0	0	113.4	R253 W254 L255	R253-G257 PolarHBondContact O-N 2.93Å; W254-G257 PolarHBondContact O-N 3.08Å; W254-G257 VanDerWaalsContact O-N 3.07Å; L255-G257 PolarHBondContact O-N 3.37Å
258	R	76.9	Confident	88.7	Confident	81 Å²	81	40.8 Å²	40.8	31%	0.306	19%	0.191	S	C	.	.			trans	-113.9	156	-179.6	-62.5	-170.9	-169.3	112.6	42.7	112.8	R222 E368 L369 F370 R371 S372	R222-R258 VanDerWaalsContact NE-C 3.34Å; R222-R258 PolarHBondContact NE-O 2.95Å; R222-R258 PolarHBondContact NH2-O 3.31Å; R258-E368 PolarHBondContact NH1-O 3.03Å; R258-L369 PolarHBondContact NH1-O 3.2Å; R258-F370 VanDerWaalsContact CZ-C 3.46Å; R258-F370 PolarHBondContact NH1-O 3.47Å; R258-F370 PolarHBondContact NH2-O 3.1Å; R258-R371 VanDerWaalsContact CZ-CA 3.43Å; R258-R371 VanDerWaalsContact NH2-N 3.18Å; R258-S372 WeakPolarHBondContact CD-OG 3.42Å; R258-S372 PolarHBondContact NE-OG 3.07Å
259	A	71.4	Confident	88.8	Confident	25 Å²	25	40.9 Å²	40.9	21%	0.207	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-62.6	161.8	169.8	0	0	0	0	0	110.3	F220 R222 R261	F220-A259 HydrophobicContact CB-CB 3.81Å; F220-A259 WeakPolarHBondContact O-CB 3.33Å; R222-A259 HydrophobicContact CG-CB 4.08Å; A259-R261 PolarHBondContact O-N 3.23Å
260	E	73.1	Confident	88.9	Confident	145 Å²	145	40.7 Å²	40.7	68%	0.678	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-63.4	132.4	169.9	-76.8	-158.9	-161.3	0	0	109.8	R283	E260-R283 IonicContact OE2-CZ 3.72Å; E260-R283 IonicContact OE2-NH1 2.72Å; E260-R283 PolarHBondContact OE2-NH1 2.93Å; E260-R283 IonicContact OE2-NH2 3.2Å; E260-R283 PolarHBondContact OE2-NH2 3.44Å
261	R	75.4	Confident	88.9	Confident	79 Å²	79	37.2 Å²	37.2	30%	0.298	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-76.3	146.3	177.2	-63.3	-174	-61.7	171.8	1.4	110.4	A259 S282 R283 L369	A259-R261 PolarHBondContact O-N 3.23Å; R261-S282 PolarHBondContact NH2-O 2.65Å; R261-R283 VanDerWaalsContact O-CD 3.28Å; R261-R283 WeakPolarHBondContact O-CD 3.33Å; R261-R283 PolarHBondContact O-NH1 2.8Å; R261-L369 VanDerWaalsContact NH2-CD1 3.27Å
262	E	79.5	Confident	88.7	Confident	111 Å²	111	38.2 Å²	38.2	52%	0.519	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-66.2	152.9	169.3	-64.4	-165.2	162.5	0	0	111.2	F220 M264 S282	F220-E262 HydrophobicContact CD2-CG 4.43Å; F220-E262 HydrophobicContact CE2-CG 3.88Å; F220-E262 VanDerWaalsContact CE2-OE1 3.28Å; F220-E262 WeakPolarHBondContact CE2-OE1 3.41Å; F220-E262 WeakPolarHBondContact CZ-OE1 3.38Å; E262-M264 PolarHBondContact O-N 3.02Å; E262-S282 PolarHBondContact O-OG 3.43Å
263	E	86.3	Confident	88.5	Confident	65 Å²	65	44.2 Å²	44.2	30%	0.304	21%	0.207	S	C	.	.			trans	-77.5	110.7	175	-67.5	167.9	175	0	0	108.9	V285 K343	E263-V285 HydrophobicContact CB-CG1 4.44Å; E263-V285 HydrophobicContact CG-CG1 4.26Å; E263-K343 HydrophobicContact CB-CG 4.5Å; E263-K343 WeakPolarHBondContact OE2-CE 3.43Å; E263-K343 IonicContact OE2-NZ 2.71Å
264	M	88.7	Confident	88.3	Confident	40 Å²	40	41.6 Å²	41.6	20%	0.197	20%	0.199	C	C	.	.			trans	-142.1	157.8	-180	63	-175.8	-72.1	0	0	110.5	E262 S266 F281 S282 T345 L367	E262-M264 PolarHBondContact O-N 3.02Å; M264-S266 PolarHBondContact O-N 3.09Å; M264-F281 CarbonylContact O-C 3.24Å; M264-F281 VanDerWaalsContact O-CA 3.28Å; M264-F281 WeakPolarHBondContact O-CA 3.4Å; M264-S282 PolarHBondContact N-OG 3.14Å; M264-S282 PolarHBondContact O-N 2.95Å; M264-S282 PolarHBondContact O-OG 2.98Å; M264-T345 HydrophobicContact CB-CG2 4.5Å; M264-L367 HydrophobicContact CE-CD2 4.33Å; M264-L367 HydrophobicContact SD-CD2 4.41Å
265	I	92.6	Very high	88.3	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	115.4	171.6	-56.8	169.5	0	0	0	108.1	V279 A280 F281 L292 V338 W340 R347	I265-V279 HydrophobicContact CG1-CG1 4.26Å; I265-V279 HydrophobicContact CG2-CG1 3.55Å; I265-A280 CarbonylContact C-O 3.57Å; I265-A280 WeakPolarHBondContact CG2-O 3.46Å; I265-F281 HydrophobicContact CG1-CD1 4.24Å; I265-F281 HydrophobicContact CG1-CE1 3.82Å; I265-F281 HydrophobicContact CG1-CZ 4.34Å; I265-L292 HydrophobicContact CD1-CD2 4.36Å; I265-V338 HydrophobicContact CD1-CB 4.24Å; I265-V338 HydrophobicContact CD1-CG1 3.8Å; I265-V338 WeakPolarHBondContact CD1-O 3.24Å; I265-W340 HydrophobicContact CD1-CB 3.87Å; I265-W340 HydrophobicContact CG1-CB 4.05Å; I265-R347 HydrophobicContact CB-CB 4.48Å; I265-R347 HydrophobicContact CB-CG 3.71Å; I265-R347 HydrophobicContact CG2-CB 4.01Å; I265-R347 HydrophobicContact CG2-CG 3.52Å; I265-R347 PolarHBondContact O-NE 2.73Å
266	S	92.5	Very high	88.4	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-24	179.3	56.8	0	0	0	0	113	M264 A280 R361 D362	M264-S266 PolarHBondContact O-N 3.09Å; S266-A280 PolarHBondContact N-O 3.24Å; S266-A280 VanDerWaalsContact OG-C 3.31Å; S266-A280 PolarHBondContact OG-O 3.02Å; S266-R361 WeakPolarHBondContact O-CA 3.38Å; S266-D362 PolarHBondContact O-N 3.48Å
267	C	95.4	Very high	88.7	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.02	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	141.3	175.5	-173.7	0	0	0	0	111.7	V279 A280 C360 R361 L481	C267-V279 CarbonylContact O-C 3.49Å; C267-V279 WeakPolarHBondContact O-CA 3.2Å; C267-A280 HydrophobicContact CB-CB 3.9Å; C267-A280 PolarHBondContact N-O 3.44Å; C267-A280 PolarHBondContact O-N 3.08Å; C267-C360 CarbonylContact C-O 3.16Å; C267-C360 WeakPolarHBondContact CA-O 3.42Å; C267-C360 PolarHBondContact SG-O 3.41Å; C267-R361 HydrophobicContact CB-CB 4.17Å; C267-R361 HydrophobicContact CB-CG 4.18Å; C267-L481 HydrophobicContact CB-CD2 4.19Å
268	A	97.1	Very high	89.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.6	163.1	0	0	0	0	0	108.4	L336 V338 R347 W359 C360	A268-L336 HydrophobicContact CB-CD2 4.33Å; A268-V338 HydrophobicContact CB-CG2 4.29Å; A268-R347 HydrophobicContact CB-CB 4.12Å; A268-W359 CarbonylContact O-C 3.59Å; A268-W359 WeakPolarHBondContact O-CA 3.37Å; A268-W359 WeakPolarHBondContact O-CB 3.39Å; A268-C360 PolarHBondContact N-O 3.31Å; A268-C360 PolarHBondContact O-N 2.65Å
269	Y	97.6	Very high	90.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.8	-178.7	167.3	-98.2	0	0	0	109.5	V277 A278 E357 W359 L482 C505 K527	Y269-V277 CarbonylContact O-C 3.42Å; Y269-V277 VanDerWaalsContact O-CA 3.31Å; Y269-V277 WeakPolarHBondContact O-CA 3.43Å; Y269-A278 HydrophobicContact CD1-CB 3.99Å; Y269-A278 PolarHBondContact N-O 3.43Å; Y269-A278 PolarHBondContact O-N 3.37Å; Y269-E357 HydrophobicContact CE2-CB 3.78Å; Y269-E357 HydrophobicContact CE2-CG 4.32Å; Y269-E357 VanDerWaalsContact CE2-OE2 3.3Å; Y269-E357 WeakPolarHBondContact CE2-OE2 3.47Å; Y269-E357 PolarHBondContact OH-OE2 2.91Å; Y269-W359 HydrophobicContact CD2-CB 4.2Å; Y269-W359 HydrophobicContact CD2-CE3 4.4Å; Y269-L482 HydrophobicContact CD2-CD2 3.59Å; Y269-L482 HydrophobicContact CE2-CD2 4.41Å; Y269-L482 HydrophobicContact CG-CD2 4.06Å; Y269-C505 WeakPolarHBondContact CE2-SG 3.47Å; Y269-K527 VanDerWaalsContact OH-CE 3.22Å; Y269-K527 WeakPolarHBondContact OH-CE 3.49Å; Y269-K527 PolarHBondContact OH-NZ 3.35Å
270	V	96.9	Very high	91.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.1	175.3	60.2	0	0	0	0	110.7	R276 V277 I327 L336 L351 E357 S358	V270-R276 WeakPolarHBondContact CA-O 3.37Å; V270-V277 HydrophobicContact CG2-CG2 4.23Å; V270-I327 HydrophobicContact CG2-CD1 3.51Å; V270-L336 HydrophobicContact CB-CD1 4.18Å; V270-L336 HydrophobicContact CG2-CD1 4.22Å; V270-L351 HydrophobicContact CG1-CB 4.05Å; V270-L351 HydrophobicContact CG1-CD2 4.21Å; V270-L351 HydrophobicContact CG2-CD2 4.21Å; V270-E357 WeakPolarHBondContact O-CA 3.22Å; V270-E357 VanDerWaalsContact O-CB 3.31Å; V270-E357 WeakPolarHBondContact O-CB 3.4Å; V270-S358 PolarHBondContact N-O 2.58Å; V270-S358 PolarHBondContact O-N 2.68Å
271	S	95.1	Very high	92.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.2	173.2	-178	0	0	0	0	110.2	Q274 E275 R276	S271-Q274 PolarHBondContact OG-N 3.27Å; S271-E275 WeakPolarHBondContact O-CA 3.39Å; S271-E275 PolarHBondContact O-N 3.45Å; S271-E275 VanDerWaalsContact O-N 3.12Å; S271-R276 PolarHBondContact N-O 3.27Å; S271-R276 PolarHBondContact O-N 3.32Å; S271-R276 VanDerWaalsContact O-N 3.13Å
272	R	92.8	Very high	92.9	Very high	30 Å²	30	24.3 Å²	24.3	11%	0.113	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-47.7	173	-173.9	-179.8	-65.4	-86.3	-3.8	111.1	Q274 E275 I327 S328 D329 L351 Y352 R355 S356	R272-Q274 VanDerWaalsContact C-N 3.32Å; R272-Q274 PolarHBondContact O-N 2.95Å; R272-E275 WeakPolarHBondContact O-CG 3.35Å; R272-E275 PolarHBondContact O-N 3.36Å; R272-I327 HydrophobicContact CB-CG2 4.31Å; R272-I327 HydrophobicContact CG-CG2 3.9Å; R272-S328 PolarHBondContact NH1-O 2.81Å; R272-D329 IonicContact CZ-OD1 3.51Å; R272-D329 IonicContact NE-OD1 3.69Å; R272-D329 PolarHBondContact NE-OD1 3.13Å; R272-D329 IonicContact NH1-OD1 3.95Å; R272-D329 PolarHBondContact NH1-OD1 2.87Å; R272-D329 IonicContact NH2-OD1 3.44Å; R272-L351 HydrophobicContact CB-CD2 4.2Å; R272-Y352 PolarHBondContact NH2-O 3.35Å; R272-R355 PolarHBondContact NE-O 3.11Å; R272-S356 VanDerWaalsContact CB-O 3.3Å; R272-S356 WeakPolarHBondContact CB-O 3.39Å; R272-S356 PolarHBondContact N-O 2.94Å
273	E	90.4	Very high	93.3	Very high	126 Å²	126	23 Å²	23	59%	0.589	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-37.6	-175	-168.3	-166.8	175.1	0	0	112.5	K552	E273-K552 WeakPolarHBondContact OE1-CE 3.47Å; E273-K552 IonicContact OE1-NZ 3.93Å; E273-K552 PolarHBondContact OE1-NZ 3.2Å; E273-K552 IonicContact OE2-NZ 3.08Å; E273-K552 PolarHBondContact OE2-NZ 3.45Å
274	Q	91.3	Very high	93.6	Very high	34 Å²	34	23.6 Å²	23.6	16%	0.159	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-5.7	179.8	-62.7	174.6	-16.2	0	0	112.9	S271 R272 R276 P526	S271-Q274 PolarHBondContact OG-N 3.27Å; R272-Q274 VanDerWaalsContact C-N 3.32Å; R272-Q274 PolarHBondContact O-N 2.95Å; Q274-R276 HydrophobicContact CB-CB 3.88Å; Q274-R276 PolarHBondContact O-N 2.75Å; Q274-P526 VanDerWaalsContact NE2-C 3.27Å; Q274-P526 VanDerWaalsContact NE2-CB 3.27Å; Q274-P526 PolarHBondContact NE2-O 3.2Å; Q274-P526 VanDerWaalsContact NE2-O 3.14Å
275	E	93.1	Very high	93.8	Very high	46 Å²	46	21.9 Å²	21.9	22%	0.215	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.3	50.1	-168.9	-63.5	-174	121	0	0	111.2	S271 R272 L322 P324 G325	S271-E275 WeakPolarHBondContact O-CA 3.39Å; S271-E275 PolarHBondContact O-N 3.45Å; S271-E275 VanDerWaalsContact O-N 3.12Å; R272-E275 WeakPolarHBondContact O-CG 3.35Å; R272-E275 PolarHBondContact O-N 3.36Å; E275-L322 HydrophobicContact CB-CB 4.27Å; E275-L322 WeakPolarHBondContact O-CB 3.41Å; E275-L322 PolarHBondContact O-N 3.15Å; E275-P324 VanDerWaalsContact OE2-CA 3.28Å; E275-P324 WeakPolarHBondContact OE2-CA 3.34Å; E275-G325 PolarHBondContact OE1-N 3.42Å
276	R	95	Very high	93.8	Very high	39 Å²	39	24.3 Å²	24.3	15%	0.147	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.9	-169.9	177	171	-70.8	173.1	8.1	111.3	V270 S271 Q274 C320 D321	V270-R276 WeakPolarHBondContact CA-O 3.37Å; S271-R276 PolarHBondContact N-O 3.27Å; S271-R276 PolarHBondContact O-N 3.32Å; S271-R276 VanDerWaalsContact O-N 3.13Å; Q274-R276 HydrophobicContact CB-CB 3.88Å; Q274-R276 PolarHBondContact O-N 2.75Å; R276-C320 WeakPolarHBondContact CG-O 3.39Å; R276-D321 IonicContact CZ-OD1 3.48Å; R276-D321 VanDerWaalsContact CZ-OD1 3.24Å; R276-D321 IonicContact NE-OD1 2.81Å; R276-D321 PolarHBondContact NE-OD1 3.28Å; R276-D321 IonicContact NH2-OD1 3.57Å; R276-D321 PolarHBondContact NH2-OD1 3.26Å; R276-D321 IonicContact NH2-OD2 2.64Å
277	V	96.9	Very high	93.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.7	171	-175.9	0	0	0	0	108.8	Y269 V270 V279 L294 W305 I319 C320 L322 L336 V338	Y269-V277 CarbonylContact O-C 3.42Å; Y269-V277 VanDerWaalsContact O-CA 3.31Å; Y269-V277 WeakPolarHBondContact O-CA 3.43Å; V270-V277 HydrophobicContact CG2-CG2 4.23Å; V277-V279 HydrophobicContact CG1-CG2 4.27Å; V277-L294 HydrophobicContact CG2-CD2 4.12Å; V277-W305 HydrophobicContact CB-CH2 4.47Å; V277-W305 HydrophobicContact CG1-CH2 4.03Å; V277-I319 CarbonylContact O-C 3.58Å; V277-I319 VanDerWaalsContact O-CA 3.28Å; V277-I319 WeakPolarHBondContact O-CA 3.4Å; V277-C320 PolarHBondContact N-O 2.91Å; V277-C320 PolarHBondContact O-N 3.09Å; V277-L322 HydrophobicContact CG2-CD1 4.01Å; V277-L322 HydrophobicContact CG2-CD2 3.92Å; V277-L322 HydrophobicContact CG2-CG 4.08Å; V277-L336 HydrophobicContact CB-CD1 4.42Å; V277-L336 HydrophobicContact CG1-CD1 3.98Å; V277-L336 HydrophobicContact CG1-CD2 4.36Å; V277-L336 HydrophobicContact CG2-CD1 3.5Å; V277-V338 HydrophobicContact CG1-CG2 4.42Å
278	A	97	Very high	92.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.5	171.4	0	0	0	0	0	110.2	Y269 W318 I319 L481	Y269-A278 HydrophobicContact CD1-CB 3.99Å; Y269-A278 PolarHBondContact N-O 3.43Å; Y269-A278 PolarHBondContact O-N 3.37Å; A278-W318 CarbonylContact C-O 3.43Å; A278-W318 WeakPolarHBondContact CA-O 3.28Å; A278-I319 HydrophobicContact CB-CG2 3.78Å; A278-L481 HydrophobicContact CB-CD1 4.08Å; A278-L481 HydrophobicContact CB-CD2 4.42Å
279	V	96.4	Very high	91.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.6	-177.3	180	0	0	0	0	108.3	I265 C267 V277 F281 W305 V317 W318 V338	I265-V279 HydrophobicContact CG1-CG1 4.26Å; I265-V279 HydrophobicContact CG2-CG1 3.55Å; C267-V279 CarbonylContact O-C 3.49Å; C267-V279 WeakPolarHBondContact O-CA 3.2Å; V277-V279 HydrophobicContact CG1-CG2 4.27Å; V279-F281 HydrophobicContact CG1-CD2 4.4Å; V279-F281 HydrophobicContact CG1-CE2 3.95Å; V279-F281 HydrophobicContact CG1-CZ 4.32Å; V279-W305 HydrophobicContact CB-CH2 4.37Å; V279-W305 HydrophobicContact CB-CZ3 4.17Å; V279-W305 HydrophobicContact CG2-CH2 3.38Å; V279-W305 HydrophobicContact CG2-CZ2 4.43Å; V279-W305 HydrophobicContact CG2-CZ3 3.6Å; V279-V317 CarbonylContact O-C 3.54Å; V279-V317 VanDerWaalsContact O-CA 3.31Å; V279-V317 WeakPolarHBondContact O-CA 3.44Å; V279-W318 PolarHBondContact N-O 2.87Å; V279-W318 PolarHBondContact O-N 3.39Å; V279-V338 HydrophobicContact CG1-CG1 4.27Å; V279-V338 HydrophobicContact CG2-CB 4.35Å; V279-V338 HydrophobicContact CG2-CG1 3.83Å; V279-V338 HydrophobicContact CG2-CG2 3.89Å
280	A	95.4	Very high	90.1	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.1	171.2	0	0	0	0	0	111.2	I265 S266 C267 P316 V317 L481	I265-A280 CarbonylContact C-O 3.57Å; I265-A280 WeakPolarHBondContact CG2-O 3.46Å; S266-A280 PolarHBondContact N-O 3.24Å; S266-A280 VanDerWaalsContact OG-C 3.31Å; S266-A280 PolarHBondContact OG-O 3.02Å; C267-A280 HydrophobicContact CB-CB 3.9Å; C267-A280 PolarHBondContact N-O 3.44Å; C267-A280 PolarHBondContact O-N 3.08Å; A280-P316 CarbonylContact C-O 3.46Å; A280-P316 WeakPolarHBondContact CA-O 3.47Å; A280-V317 HydrophobicContact CB-CG2 4.18Å; A280-L481 HydrophobicContact CB-CD2 4.2Å
281	F	92.8	Very high	89.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.9	177.3	-70.1	-94.5	0	0	0	111	M264 I265 V279 R283 V285 L292 P316 W318 W340	M264-F281 CarbonylContact O-C 3.24Å; M264-F281 VanDerWaalsContact O-CA 3.28Å; M264-F281 WeakPolarHBondContact O-CA 3.4Å; I265-F281 HydrophobicContact CG1-CD1 4.24Å; I265-F281 HydrophobicContact CG1-CE1 3.82Å; I265-F281 HydrophobicContact CG1-CZ 4.34Å; V279-F281 HydrophobicContact CG1-CD2 4.4Å; V279-F281 HydrophobicContact CG1-CE2 3.95Å; V279-F281 HydrophobicContact CG1-CZ 4.32Å; F281-R283 WeakPolarHBondContact CB-O 3.15Å; F281-R283 PolarHBondContact O-N 3.35Å; F281-V285 HydrophobicContact CB-CG1 4.47Å; F281-V285 HydrophobicContact CB-CG2 4.32Å; F281-V285 HydrophobicContact CD1-CG1 4.18Å; F281-V285 HydrophobicContact CD1-CG2 3.85Å; F281-V285 HydrophobicContact CD2-CG2 3.54Å; F281-V285 HydrophobicContact CE1-CG2 3.9Å; F281-V285 HydrophobicContact CE2-CG2 3.59Å; F281-V285 HydrophobicContact CG-CG1 4.34Å; F281-V285 HydrophobicContact CG-CG2 3.64Å; F281-V285 HydrophobicContact CZ-CG2 3.74Å; F281-L292 HydrophobicContact CE2-CD1 4.12Å; F281-L292 HydrophobicContact CZ-CD1 3.98Å; F281-L292 HydrophobicContact CZ-CD2 3.76Å; F281-L292 HydrophobicContact CZ-CG 4.09Å; F281-P316 PolarHBondContact N-O 2.9Å; F281-W318 AromaticContact CD2-CD1 3.89Å; F281-W318 AromaticContact CE2-CD1 3.65Å; F281-W318 HydrophobicContact CE2-CG 4.34Å; F281-W340 HydrophobicContact CE1-CB 4.41Å; F281-W340 AromaticContact CE1-CD2 3.73Å; F281-W340 HydrophobicContact CE1-CD2 3.73Å; F281-W340 AromaticContact CE1-CE3 3.68Å; F281-W340 HydrophobicContact CE1-CE3 3.68Å; F281-W340 HydrophobicContact CE1-CG 4.05Å; F281-W340 HydrophobicContact CE1-CZ3 4.14Å; F281-W340 HydrophobicContact CZ-CD2 4.19Å; F281-W340 AromaticContact CZ-CE3 3.65Å; F281-W340 HydrophobicContact CZ-CE3 3.65Å; F281-W340 AromaticContact CZ-CZ3 3.88Å; F281-W340 HydrophobicContact CZ-CZ3 3.88Å
282	S	88.6	Confident	89.4	Confident	4 Å²	4	37.4 Å²	37.4	3%	0.028	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	-20.2	173.7	61	0	0	0	0	113.6	R261 E262 M264	R261-S282 PolarHBondContact NH2-O 2.65Å; E262-S282 PolarHBondContact O-OG 3.43Å; M264-S282 PolarHBondContact N-OG 3.14Å; M264-S282 PolarHBondContact O-N 2.95Å; M264-S282 PolarHBondContact O-OG 2.98Å
283	R	88.3	Confident	89.5	Confident	84 Å²	84	39.3 Å²	39.3	32%	0.317	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.4	177.7	-62.6	-176.6	73.5	153.9	-2.8	110.6	E260 R261 F281 V285	E260-R283 IonicContact OE2-CZ 3.72Å; E260-R283 IonicContact OE2-NH1 2.72Å; E260-R283 PolarHBondContact OE2-NH1 2.93Å; E260-R283 IonicContact OE2-NH2 3.2Å; E260-R283 PolarHBondContact OE2-NH2 3.44Å; R261-R283 VanDerWaalsContact O-CD 3.28Å; R261-R283 WeakPolarHBondContact O-CD 3.33Å; R261-R283 PolarHBondContact O-NH1 2.8Å; F281-R283 WeakPolarHBondContact CB-O 3.15Å; F281-R283 PolarHBondContact O-N 3.35Å; R283-V285 PolarHBondContact O-N 3.46Å
284	P	91.9	Very high	89.8	Confident	76 Å²	76	33.4 Å²	33.4	49%	0.494	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	121.7	172	-21.6	33.4	0	0	0	112	H314	P284-H314 HydrophobicContact CB-CB 4.2Å
285	V	92.7	Very high	90	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	162.8	178.4	-60.7	0	0	0	0	111.2	E263 F281 R283 H314 S315 W318 W340	E263-V285 HydrophobicContact CB-CG1 4.44Å; E263-V285 HydrophobicContact CG-CG1 4.26Å; F281-V285 HydrophobicContact CB-CG1 4.47Å; F281-V285 HydrophobicContact CB-CG2 4.32Å; F281-V285 HydrophobicContact CD1-CG1 4.18Å; F281-V285 HydrophobicContact CD1-CG2 3.85Å; F281-V285 HydrophobicContact CD2-CG2 3.54Å; F281-V285 HydrophobicContact CE1-CG2 3.9Å; F281-V285 HydrophobicContact CE2-CG2 3.59Å; F281-V285 HydrophobicContact CG-CG1 4.34Å; F281-V285 HydrophobicContact CG-CG2 3.64Å; F281-V285 HydrophobicContact CZ-CG2 3.74Å; R283-V285 PolarHBondContact O-N 3.46Å; V285-H314 CarbonylContact O-C 3.5Å; V285-H314 VanDerWaalsContact O-CA 3.31Å; V285-H314 WeakPolarHBondContact O-CA 3.43Å; V285-S315 PolarHBondContact N-O 3.37Å; V285-S315 PolarHBondContact O-N 3.11Å; V285-W318 VanDerWaalsContact O-CZ2 3.29Å; V285-W318 WeakPolarHBondContact O-CZ2 3.49Å; V285-W318 PolarHBondContact O-NE1 2.76Å; V285-W340 HydrophobicContact CB-CH2 4.2Å; V285-W340 HydrophobicContact CB-CZ2 4.38Å; V285-W340 HydrophobicContact CG1-CZ2 4.49Å; V285-W340 HydrophobicContact CG2-CH2 4.17Å; V285-W340 HydrophobicContact CG2-CZ3 4.49Å
286	N	92	Very high	90.1	Very high	52 Å²	52	31 Å²	31	28%	0.278	18%	0.18	S	C	.	.			trans	-102.7	100.9	168.4	-178	-0.9	0	0	0	110.1	Q288	N286-Q288 PolarHBondContact OD1-N 3.49Å
287	A	86.5	Confident	90	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	19%	0.191	C	C	.	.			trans	-97.1	7.8	-178.3	0	0	0	0	0	114.5	S289 S291 L292 W318 W340	A287-S289 VanDerWaalsContact C-N 3.26Å; A287-S289 PolarHBondContact O-N 2.91Å; A287-S291 WeakPolarHBondContact CA-OG 3.25Å; A287-L292 HydrophobicContact CB-CD1 3.59Å; A287-L292 HydrophobicContact CB-CG 3.99Å; A287-W318 HydrophobicContact CB-CD2 3.6Å; A287-W318 HydrophobicContact CB-CE3 3.97Å; A287-W318 HydrophobicContact CB-CG 3.92Å; A287-W318 HydrophobicContact CB-CZ2 4.23Å; A287-W318 HydrophobicContact CB-CZ3 4.45Å; A287-W318 VanDerWaalsContact N-CZ2 3.27Å; A287-W340 HydrophobicContact CB-CH2 4.38Å; A287-W340 HydrophobicContact CB-CZ3 3.78Å
288	Q	78.5	Confident	89.7	Confident	118 Å²	118	35.4 Å²	35.4	55%	0.551	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.7	179.8	-72.6	175.3	-16.7	0	0	113.2	N286 G290 W318	N286-Q288 PolarHBondContact OD1-N 3.49Å; Q288-G290 PolarHBondContact O-N 2.67Å; Q288-G290 VanDerWaalsContact O-N 3.1Å; Q288-W318 HydrophobicContact CG-CH2 3.53Å; Q288-W318 HydrophobicContact CG-CZ3 3.41Å; Q288-W318 VanDerWaalsContact CG-CZ3 3.41Å
289	S	69.6	Low	89.6	Confident	96 Å²	96	41.3 Å²	41.3	67%	0.671	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	17.7	-171.7	-53.8	0	0	0	0	114.8	A287	A287-S289 VanDerWaalsContact C-N 3.26Å; A287-S289 PolarHBondContact O-N 2.91Å
290	G	70.1	Confident	89.4	Confident	58 Å²	58	45.3 Å²	45.3	60%	0.598	27%	0.274	S	S	*	.	S	Bend	trans	77.5	20.7	-177.5	0	0	0	0	0	114.3	Q288 L292	Q288-G290 PolarHBondContact O-N 2.67Å; Q288-G290 VanDerWaalsContact O-N 3.1Å; G290-L292 VanDerWaalsContact C-N 3.32Å
291	S	85.2	Confident	89.4	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.014	28%	0.283	C	S	.	.			trans	-81.4	-8.6	-179.9	42.2	0	0	0	0	114.2	A287 W340 T341 E342	A287-S291 WeakPolarHBondContact CA-OG 3.25Å; S291-W340 WeakPolarHBondContact O-CA 3.5Å; S291-W340 VanDerWaalsContact O-CE3 3.29Å; S291-W340 VanDerWaalsContact OG-CH2 3.22Å; S291-W340 WeakPolarHBondContact OG-CH2 3.03Å; S291-W340 WeakPolarHBondContact OG-CZ3 3.44Å; S291-T341 WeakPolarHBondContact CA-OG1 3.48Å; S291-T341 PolarHBondContact O-N 2.82Å; S291-T341 PolarHBondContact O-OG1 3.34Å; S291-T341 VanDerWaalsContact O-OG1 3.09Å; S291-E342 WeakPolarHBondContact CB-OE1 3.43Å
292	L	93.8	Very high	89.3	Confident	11 Å²	11	59.1 Å²	59.1	6%	0.058	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.2	171.8	-79.4	174.7	0	0	0	111.5	I265 F281 A287 G290 W305 W318 V338 H339 W340	I265-L292 HydrophobicContact CD1-CD2 4.36Å; F281-L292 HydrophobicContact CE2-CD1 4.12Å; F281-L292 HydrophobicContact CZ-CD1 3.98Å; F281-L292 HydrophobicContact CZ-CD2 3.76Å; F281-L292 HydrophobicContact CZ-CG 4.09Å; A287-L292 HydrophobicContact CB-CD1 3.59Å; A287-L292 HydrophobicContact CB-CG 3.99Å; G290-L292 VanDerWaalsContact C-N 3.32Å; L292-W305 HydrophobicContact CB-CD2 4.09Å; L292-W305 HydrophobicContact CB-CG 4.07Å; L292-W305 HydrophobicContact CB-CZ2 4.21Å; L292-W305 VanDerWaalsContact CB-NE1 3.31Å; L292-W305 HydrophobicContact CD1-CD2 3.64Å; L292-W305 HydrophobicContact CD1-CE3 3.85Å; L292-W305 HydrophobicContact CD1-CG 4.01Å; L292-W305 HydrophobicContact CD1-CH2 4.46Å; L292-W305 HydrophobicContact CD1-CZ2 4.26Å; L292-W305 HydrophobicContact CD1-CZ3 4.27Å; L292-W305 PolarHBondContact O-NE1 2.95Å; L292-W318 HydrophobicContact CD1-CB 4.28Å; L292-V338 HydrophobicContact CD2-CG1 3.64Å; L292-H339 WeakPolarHBondContact CA-O 3.43Å; L292-W340 HydrophobicContact CD2-CB 4.5Å; L292-W340 HydrophobicContact CD2-CE3 3.75Å; L292-W340 HydrophobicContact CD2-CZ3 4.45Å; L292-W340 HydrophobicContact CG-CE3 3.79Å; L292-W340 HydrophobicContact CG-CZ3 4.02Å
293	L	94.7	Very high	89.5	Confident	71 Å²	71	60.4 Å²	60.4	37%	0.372	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.4	170.8	173.8	69.3	0	0	0	109.5	V295 P300 H339 T341	L293-V295 HydrophobicContact CD2-CG2 4.24Å; L293-V295 HydrophobicContact CG-CG2 4.23Å; L293-P300 HydrophobicContact CD1-CB 4.14Å; L293-H339 HydrophobicContact CB-CB 4.24Å; L293-H339 PolarHBondContact N-O 3.04Å; L293-H339 PolarHBondContact O-N 3.42Å; L293-T341 HydrophobicContact CB-CG2 4.27Å
294	L	95.9	Very high	89.8	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.2	172.4	178	63	0	0	0	109.7	V277 P300 Q301 V303 W305 L322 L336 V338	V277-L294 HydrophobicContact CG2-CD2 4.12Å; L294-P300 WeakPolarHBondContact O-CA 3.48Å; L294-Q301 HydrophobicContact CB-CB 4.29Å; L294-Q301 HydrophobicContact CD2-CB 3.96Å; L294-Q301 HydrophobicContact CD2-CG 4.26Å; L294-Q301 HydrophobicContact CG-CB 4.06Å; L294-Q301 HydrophobicContact CG-CG 4.23Å; L294-Q301 PolarHBondContact O-N 3.39Å; L294-V303 HydrophobicContact CB-CG2 4.11Å; L294-V303 HydrophobicContact CD2-CG1 4.11Å; L294-V303 HydrophobicContact CD2-CG2 4.21Å; L294-W305 HydrophobicContact CB-CZ2 4.24Å; L294-L322 HydrophobicContact CD2-CD2 3.52Å; L294-L336 HydrophobicContact CD1-CD1 3.61Å; L294-L336 HydrophobicContact CD1-CD2 4.4Å; L294-L336 HydrophobicContact CD1-CG 3.72Å; L294-V338 HydrophobicContact CD1-CG2 4.01Å
295	V	96.4	Very high	89.9	Confident	23 Å²	23	61.5 Å²	61.5	14%	0.139	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.1	171.4	-179.6	0	0	0	0	107.7	L293 G298 Q299 L336 T337	L293-V295 HydrophobicContact CD2-CG2 4.24Å; L293-V295 HydrophobicContact CG-CG2 4.23Å; V295-G298 VanDerWaalsContact CG1-C 3.49Å; V295-Q299 WeakPolarHBondContact CA-O 3.5Å; V295-L336 WeakPolarHBondContact O-CA 3.23Å; V295-T337 PolarHBondContact N-O 2.91Å; V295-T337 PolarHBondContact O-N 2.63Å
296	L	94.4	Very high	90	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.042	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.5	175.4	-169.5	75.3	0	0	0	108.6	G298 Q299 Q301 T326 H334 N335 L336	L296-G298 PolarHBondContact O-N 2.95Å; L296-Q299 PolarHBondContact N-O 3.42Å; L296-Q299 WeakPolarHBondContact O-CA 3.4Å; L296-Q299 PolarHBondContact O-N 3.3Å; L296-Q299 VanDerWaalsContact O-O 3.11Å; L296-Q301 HydrophobicContact CB-CG 3.67Å; L296-T326 HydrophobicContact CD2-CG2 3.24Å; L296-H334 HydrophobicContact CD1-CB 4.25Å; L296-N335 CarbonylContact C-O 3.58Å; L296-N335 WeakPolarHBondContact CA-O 3.3Å; L296-L336 HydrophobicContact CD1-CB 4.01Å; L296-L336 HydrophobicContact CD1-CD1 4.29Å
297	D	93.1	Very high	90.1	Very high	71 Å²	71	63.6 Å²	63.6	38%	0.38	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	40	-177.5	-56.6	-40	0	0	0	113	Q299 H334 N335	D297-Q299 PolarHBondContact O-N 2.75Å; D297-H334 VanDerWaalsContact OD1-CA 3.26Å; D297-H334 WeakPolarHBondContact OD1-CA 3.29Å; D297-H334 IonicContact OD1-ND1 2.7Å; D297-H334 IonicContact OD2-CE1 2.75Å; D297-H334 IonicContact OD2-CG 3.52Å; D297-H334 IonicContact OD2-ND1 3.56Å; D297-H334 PolarHBondContact OD2-ND1 2.91Å; D297-N335 PolarHBondContact N-O 2.68Å; D297-N335 PolarHBondContact OD1-N 3.28Å
298	G	91.4	Very high	90.3	Very high	59 Å²	59	63.8 Å²	63.8	61%	0.608	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	2.5	-177.1	0	0	0	0	0	114.8	V295 L296	V295-G298 VanDerWaalsContact CG1-C 3.49Å; L296-G298 PolarHBondContact O-N 2.95Å
299	Q	93.1	Very high	90.9	Very high	125 Å²	125	58.5 Å²	58.5	58%	0.584	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.3	178.4	-61	-56.8	-44	0	0	112	V295 L296 D297 Q301	V295-Q299 WeakPolarHBondContact CA-O 3.5Å; L296-Q299 PolarHBondContact N-O 3.42Å; L296-Q299 WeakPolarHBondContact O-CA 3.4Å; L296-Q299 PolarHBondContact O-N 3.3Å; L296-Q299 VanDerWaalsContact O-O 3.11Å; D297-Q299 PolarHBondContact O-N 2.75Å; Q299-Q301 PolarHBondContact O-N 3.02Å; Q299-Q301 PolarHBondContact O-NE2 2.98Å; Q299-Q301 VanDerWaalsContact O-NE2 3.15Å
300	P	94.1	Very high	91.6	Very high	85 Å²	85	58.1 Å²	58.1	55%	0.552	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.8	177.7	28.3	-33.8	0	0	0	110.9	L293 L294	L293-P300 HydrophobicContact CD1-CB 4.14Å; L294-P300 WeakPolarHBondContact O-CA 3.48Å
301	Q	93.9	Very high	92.4	Very high	44 Å²	44	62.2 Å²	62.2	21%	0.206	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.6	179.9	-59.3	-55.8	-43.4	0	0	110.6	L294 L296 Q299 V303	L294-Q301 HydrophobicContact CB-CB 4.29Å; L294-Q301 HydrophobicContact CD2-CB 3.96Å; L294-Q301 HydrophobicContact CD2-CG 4.26Å; L294-Q301 HydrophobicContact CG-CB 4.06Å; L294-Q301 HydrophobicContact CG-CG 4.23Å; L294-Q301 PolarHBondContact O-N 3.39Å; L296-Q301 HydrophobicContact CB-CG 3.67Å; Q299-Q301 PolarHBondContact O-N 3.02Å; Q299-Q301 PolarHBondContact O-NE2 2.98Å; Q299-Q301 VanDerWaalsContact O-NE2 3.15Å; Q301-V303 HydrophobicContact CB-CG1 4.1Å; Q301-V303 PolarHBondContact O-N 3.41Å
302	R	91.4	Very high	92.7	Very high	247 Å²	247	63.8 Å²	63.8	93%	0.932	32%	0.323	S	S	*	.			trans	-87.7	91.9	175.6	-169.9	-179.6	-177.9	-176.8	0.2	109.6
303	V	93.4	Very high	92.4	Very high	32 Å²	32	70.8 Å²	70.8	19%	0.194	35%	0.353	C	S	.	.			trans	-120.5	157.7	-178	-62.2	0	0	0	0	111.6	L294 Q301 C320 L322	L294-V303 HydrophobicContact CB-CG2 4.11Å; L294-V303 HydrophobicContact CD2-CG1 4.11Å; L294-V303 HydrophobicContact CD2-CG2 4.21Å; Q301-V303 HydrophobicContact CB-CG1 4.1Å; Q301-V303 PolarHBondContact O-N 3.41Å; V303-C320 HydrophobicContact CB-CB 3.93Å; V303-C320 HydrophobicContact CG2-CB 4.02Å; V303-L322 HydrophobicContact CG1-CD2 4.22Å
304	E	93.6	Very high	92.4	Very high	164 Å²	164	73 Å²	73	77%	0.766	36%	0.361	S	S	*	.			trans	-104.9	117.3	173.1	-171.5	178.9	171	0	0	109.9	C320	E304-C320 VanDerWaalsContact O-CB 3.29Å; E304-C320 WeakPolarHBondContact O-CB 3.4Å
305	W	94.7	Very high	92.2	Very high	19 Å²	19	73 Å²	73	7%	0.072	36%	0.361	C	S	.	.			trans	-83.4	131.4	175.9	-68.6	99.4	0	0	0	111	V277 V279 L292 L294 W318 C320 V338	V277-W305 HydrophobicContact CB-CH2 4.47Å; V277-W305 HydrophobicContact CG1-CH2 4.03Å; V279-W305 HydrophobicContact CB-CH2 4.37Å; V279-W305 HydrophobicContact CB-CZ3 4.17Å; V279-W305 HydrophobicContact CG2-CH2 3.38Å; V279-W305 HydrophobicContact CG2-CZ2 4.43Å; V279-W305 HydrophobicContact CG2-CZ3 3.6Å; L292-W305 HydrophobicContact CB-CD2 4.09Å; L292-W305 HydrophobicContact CB-CG 4.07Å; L292-W305 HydrophobicContact CB-CZ2 4.21Å; L292-W305 VanDerWaalsContact CB-NE1 3.31Å; L292-W305 HydrophobicContact CD1-CD2 3.64Å; L292-W305 HydrophobicContact CD1-CE3 3.85Å; L292-W305 HydrophobicContact CD1-CG 4.01Å; L292-W305 HydrophobicContact CD1-CH2 4.46Å; L292-W305 HydrophobicContact CD1-CZ2 4.26Å; L292-W305 HydrophobicContact CD1-CZ3 4.27Å; L292-W305 PolarHBondContact O-NE1 2.95Å; L294-W305 HydrophobicContact CB-CZ2 4.24Å; W305-W318 HydrophobicContact CB-CE3 4.33Å; W305-W318 HydrophobicContact CE3-CB 4.05Å; W305-C320 HydrophobicContact CD2-CB 4Å; W305-C320 HydrophobicContact CE3-CB 3.9Å; W305-C320 VanDerWaalsContact CH2-SG 3.58Å; W305-C320 HydrophobicContact CZ3-CB 4.2Å; W305-V338 HydrophobicContact CZ2-CG1 4.41Å
306	R	94.2	Very high	92.1	Very high	87 Å²	87	72.4 Å²	72.4	33%	0.328	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.1	175.6	64.1	-178	-176.1	-91	0	111.4	I319 D321	R306-I319 HydrophobicContact CG-CD1 4.42Å; R306-I319 HydrophobicContact CG-CG1 3.82Å; R306-I319 PolarHBondContact N-O 3.05Å; R306-I319 PolarHBondContact O-N 3.48Å; R306-D321 IonicContact CZ-OD2 3.48Å; R306-D321 IonicContact NH1-OD2 2.97Å; R306-D321 PolarHBondContact NH1-OD2 2.85Å; R306-D321 VanDerWaalsContact NH2-CG 3.35Å; R306-D321 IonicContact NH2-OD1 2.82Å; R306-D321 PolarHBondContact NH2-OD1 2.92Å; R306-D321 IonicContact NH2-OD2 3.54Å; R306-D321 PolarHBondContact NH2-OD2 2.96Å
307	S	93.2	Very high	92.2	Very high	14 Å²	14	72 Å²	72	10%	0.098	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	153.8	170.8	-177.2	0	0	0	0	110.4	H309 F312 S315	S307-H309 PolarHBondContact O-N 3.46Å; S307-H309 PolarHBondContact OG-N 3.32Å; S307-H309 PolarHBondContact OG-O 2.99Å; S307-F312 WeakPolarHBondContact CB-O 3.37Å; S307-F312 WeakPolarHBondContact OG-CB 3.38Å; S307-S315 WeakPolarHBondContact OG-CB 3.03Å; S307-S315 PolarHBondContact OG-OG 3.35Å
308	V	92.1	Very high	92.3	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.024	34%	0.338	C	S	.	.	S	Bend	trans	-64.5	-19.1	173.2	-64	0	0	0	0	113.5	V317 I319 A501 M502 Q504	V308-V317 HydrophobicContact CG1-CB 4.14Å; V308-V317 HydrophobicContact CG1-CG1 3.65Å; V308-I319 HydrophobicContact CG1-CG2 3.87Å; V308-A501 HydrophobicContact CB-CB 4.35Å; V308-A501 HydrophobicContact CG2-CB 4.17Å; V308-M502 HydrophobicContact CG2-CG 4.11Å; V308-Q504 HydrophobicContact CG1-CG 4.06Å
309	H	90.3	Very high	92.5	Very high	7 Å²	7	66.1 Å²	66.1	3%	0.032	31%	0.311	C	S	.	.	S	Bend	trans	-138.1	134.9	178.4	-171.6	-98.8	0	0	0	110.7	S307 H311 F312 A501 Y523	S307-H309 PolarHBondContact O-N 3.46Å; S307-H309 PolarHBondContact OG-N 3.32Å; S307-H309 PolarHBondContact OG-O 2.99Å; H309-H311 AromaticContact CE1-CG 3.75Å; H309-H311 AromaticContact CE1-ND1 3.08Å; H309-H311 PolarHBondContact CE1-ND1 2.94Å; H309-H311 AromaticContact ND1-CG 4Å; H309-H311 PolarHBondContact ND1-N 2.87Å; H309-H311 AromaticContact ND1-ND1 3.63Å; H309-H311 AromaticContact NE2-ND1 3.91Å; H309-H311 PolarHBondContact O-N 3.38Å; H309-H311 VanDerWaalsContact O-N 3.11Å; H309-F312 HydrophobicContact CB-CD2 3.65Å; H309-F312 HydrophobicContact CB-CE2 3.78Å; H309-F312 HydrophobicContact CB-CG 4.2Å; H309-F312 HydrophobicContact CB-CZ 4.45Å; H309-F312 PolarHBondContact O-N 2.92Å; H309-A501 HydrophobicContact CB-CB 4.41Å; H309-Y523 AromaticContact CD2-CD1 3.66Å
310	P	85	Confident	92.6	Very high	89 Å²	89	60.2 Å²	60.2	58%	0.578	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.5	-169.9	23.2	-35.3	0	0	0	114	F312 Y523	P310-F312 VanDerWaalsContact C-N 3.3Å; P310-F312 PolarHBondContact O-N 2.94Å; P310-Y523 HydrophobicContact CG-CE1 4.18Å
311	H	87.1	Confident	92.7	Very high	143 Å²	143	59.1 Å²	59.1	66%	0.662	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.1	179.8	-62.1	91.8	0	0	0	113.6	H309 K313	H309-H311 AromaticContact CE1-CG 3.75Å; H309-H311 AromaticContact CE1-ND1 3.08Å; H309-H311 PolarHBondContact CE1-ND1 2.94Å; H309-H311 AromaticContact ND1-CG 4Å; H309-H311 PolarHBondContact ND1-N 2.87Å; H309-H311 AromaticContact ND1-ND1 3.63Å; H309-H311 AromaticContact NE2-ND1 3.91Å; H309-H311 PolarHBondContact O-N 3.38Å; H309-H311 VanDerWaalsContact O-N 3.11Å; H311-K313 PolarHBondContact O-N 2.75Å
312	F	89.9	Confident	92.7	Very high	35 Å²	35	57.5 Å²	57.5	15%	0.154	27%	0.265	C	S	.	.			trans	-94.1	98.5	-177	-64.8	-18.9	0	0	0	111.7	S307 H309 P310 P498 Q499 M502	S307-F312 WeakPolarHBondContact CB-O 3.37Å; S307-F312 WeakPolarHBondContact OG-CB 3.38Å; H309-F312 HydrophobicContact CB-CD2 3.65Å; H309-F312 HydrophobicContact CB-CE2 3.78Å; H309-F312 HydrophobicContact CB-CG 4.2Å; H309-F312 HydrophobicContact CB-CZ 4.45Å; H309-F312 PolarHBondContact O-N 2.92Å; P310-F312 VanDerWaalsContact C-N 3.3Å; P310-F312 PolarHBondContact O-N 2.94Å; F312-P498 HydrophobicContact CE1-CB 4.05Å; F312-P498 HydrophobicContact CZ-CB 3.59Å; F312-Q499 HydrophobicContact CE2-CG 4.49Å; F312-Q499 HydrophobicContact CZ-CG 4.03Å; F312-M502 HydrophobicContact CE2-CE 4.01Å
313	K	89.4	Confident	92.6	Very high	159 Å²	159	48.6 Å²	48.6	69%	0.691	24%	0.239	S	C	*	.	S	Bend	trans	-71	-36.2	167.5	-66.3	-172.8	178.3	-175.9	0	112.5	H311	H311-K313 PolarHBondContact O-N 2.75Å
314	H	93.1	Very high	92.4	Very high	117 Å²	117	52.8 Å²	52.8	54%	0.542	27%	0.267	S	S	.	.	S	Bend	trans	-114.4	125.7	170.3	-65.8	72.6	0	0	0	107.4	P284 V285	P284-H314 HydrophobicContact CB-CB 4.2Å; V285-H314 CarbonylContact O-C 3.5Å; V285-H314 VanDerWaalsContact O-CA 3.31Å; V285-H314 WeakPolarHBondContact O-CA 3.43Å
315	S	93.4	Very high	92	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.5	-175.3	-173.8	0	0	0	0	109.6	V285 S307 V317 W318	V285-S315 PolarHBondContact N-O 3.37Å; V285-S315 PolarHBondContact O-N 3.11Å; S307-S315 WeakPolarHBondContact OG-CB 3.03Å; S307-S315 PolarHBondContact OG-OG 3.35Å; S315-V317 VanDerWaalsContact C-N 3.26Å; S315-V317 WeakPolarHBondContact CB-O 3.46Å; S315-V317 PolarHBondContact OG-N 2.79Å; S315-V317 PolarHBondContact OG-O 3.12Å; S315-W318 PolarHBondContact O-NE1 2.82Å
316	P	93.4	Very high	91.6	Very high	11 Å²	11	48.2 Å²	48.2	7%	0.071	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-20.2	168.8	32.2	-35.5	0	0	0	111.4	A280 F281 D478 M502	A280-P316 CarbonylContact C-O 3.46Å; A280-P316 WeakPolarHBondContact CA-O 3.47Å; F281-P316 PolarHBondContact N-O 2.9Å; P316-D478 HydrophobicContact CB-CB 3.86Å; P316-D478 HydrophobicContact CG-CB 3.77Å; P316-M502 VanDerWaalsContact CD-CE 3.41Å; P316-M502 HydrophobicContact CG-CE 3.27Å; P316-M502 HydrophobicContact CG-SD 3.51Å; P316-M502 VanDerWaalsContact CG-SD 3.51Å
317	V	95.5	Very high	91.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.5	178.5	-177.2	0	0	0	0	111.1	V279 A280 V308 S315 L481 M502	V279-V317 CarbonylContact O-C 3.54Å; V279-V317 VanDerWaalsContact O-CA 3.31Å; V279-V317 WeakPolarHBondContact O-CA 3.44Å; A280-V317 HydrophobicContact CB-CG2 4.18Å; V308-V317 HydrophobicContact CG1-CB 4.14Å; V308-V317 HydrophobicContact CG1-CG1 3.65Å; S315-V317 VanDerWaalsContact C-N 3.26Å; S315-V317 WeakPolarHBondContact CB-O 3.46Å; S315-V317 PolarHBondContact OG-N 2.79Å; S315-V317 PolarHBondContact OG-O 3.12Å; V317-L481 HydrophobicContact CG1-CD1 3.78Å; V317-L481 HydrophobicContact CG2-CD1 4.45Å; V317-M502 HydrophobicContact CB-CB 4.44Å; V317-M502 HydrophobicContact CB-CG 4.19Å; V317-M502 HydrophobicContact CG2-CB 3.88Å; V317-M502 HydrophobicContact CG2-CG 3.88Å; V317-M502 HydrophobicContact CG2-SD 4.44Å
318	W	96.1	Very high	90.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.6	177.7	-70.1	82.8	0	0	0	110	A278 V279 F281 V285 A287 Q288 L292 W305 S315	A278-W318 CarbonylContact C-O 3.43Å; A278-W318 WeakPolarHBondContact CA-O 3.28Å; V279-W318 PolarHBondContact N-O 2.87Å; V279-W318 PolarHBondContact O-N 3.39Å; F281-W318 AromaticContact CD2-CD1 3.89Å; F281-W318 AromaticContact CE2-CD1 3.65Å; F281-W318 HydrophobicContact CE2-CG 4.34Å; V285-W318 VanDerWaalsContact O-CZ2 3.29Å; V285-W318 WeakPolarHBondContact O-CZ2 3.49Å; V285-W318 PolarHBondContact O-NE1 2.76Å; A287-W318 HydrophobicContact CB-CD2 3.6Å; A287-W318 HydrophobicContact CB-CE3 3.97Å; A287-W318 HydrophobicContact CB-CG 3.92Å; A287-W318 HydrophobicContact CB-CZ2 4.23Å; A287-W318 HydrophobicContact CB-CZ3 4.45Å; A287-W318 VanDerWaalsContact N-CZ2 3.27Å; Q288-W318 HydrophobicContact CG-CH2 3.53Å; Q288-W318 HydrophobicContact CG-CZ3 3.41Å; Q288-W318 VanDerWaalsContact CG-CZ3 3.41Å; L292-W318 HydrophobicContact CD1-CB 4.28Å; W305-W318 HydrophobicContact CB-CE3 4.33Å; W305-W318 HydrophobicContact CE3-CB 4.05Å; S315-W318 PolarHBondContact O-NE1 2.82Å
319	I	95.9	Very high	90	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.036	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.9	-179.4	61.9	173.8	0	0	0	110.7	V277 A278 R306 V308 Q504	V277-I319 CarbonylContact O-C 3.58Å; V277-I319 VanDerWaalsContact O-CA 3.28Å; V277-I319 WeakPolarHBondContact O-CA 3.4Å; A278-I319 HydrophobicContact CB-CG2 3.78Å; R306-I319 HydrophobicContact CG-CD1 4.42Å; R306-I319 HydrophobicContact CG-CG1 3.82Å; R306-I319 PolarHBondContact N-O 3.05Å; R306-I319 PolarHBondContact O-N 3.48Å; V308-I319 HydrophobicContact CG1-CG2 3.87Å; I319-Q504 HydrophobicContact CG2-CG 4.18Å
320	C	95.6	Very high	89.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.1	165	65.4	0	0	0	0	110.2	R276 V277 V303 E304 W305	R276-C320 WeakPolarHBondContact CG-O 3.39Å; V277-C320 PolarHBondContact N-O 2.91Å; V277-C320 PolarHBondContact O-N 3.09Å; V303-C320 HydrophobicContact CB-CB 3.93Å; V303-C320 HydrophobicContact CG2-CB 4.02Å; E304-C320 VanDerWaalsContact O-CB 3.29Å; E304-C320 WeakPolarHBondContact O-CB 3.4Å; W305-C320 HydrophobicContact CD2-CB 4Å; W305-C320 HydrophobicContact CE3-CB 3.9Å; W305-C320 VanDerWaalsContact CH2-SG 3.58Å; W305-C320 HydrophobicContact CZ3-CB 4.2Å
321	D	94.9	Very high	89.1	Confident	62 Å²	62	54.9 Å²	54.9	33%	0.332	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	143.1	171.1	-51.4	-54.8	0	0	0	108.9	R276 R306	R276-D321 IonicContact CZ-OD1 3.48Å; R276-D321 VanDerWaalsContact CZ-OD1 3.24Å; R276-D321 IonicContact NE-OD1 2.81Å; R276-D321 PolarHBondContact NE-OD1 3.28Å; R276-D321 IonicContact NH2-OD1 3.57Å; R276-D321 PolarHBondContact NH2-OD1 3.26Å; R276-D321 IonicContact NH2-OD2 2.64Å; R306-D321 IonicContact CZ-OD2 3.48Å; R306-D321 IonicContact NH1-OD2 2.97Å; R306-D321 PolarHBondContact NH1-OD2 2.85Å; R306-D321 VanDerWaalsContact NH2-CG 3.35Å; R306-D321 IonicContact NH2-OD1 2.82Å; R306-D321 PolarHBondContact NH2-OD1 2.92Å; R306-D321 IonicContact NH2-OD2 3.54Å; R306-D321 PolarHBondContact NH2-OD2 2.96Å
322	L	93.6	Very high	88.9	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.052	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-88	151.4	175.5	-58.3	173.1	0	0	0	109.5	E275 V277 L294 V303 T326 I327	E275-L322 HydrophobicContact CB-CB 4.27Å; E275-L322 WeakPolarHBondContact O-CB 3.41Å; E275-L322 PolarHBondContact O-N 3.15Å; V277-L322 HydrophobicContact CG2-CD1 4.01Å; V277-L322 HydrophobicContact CG2-CD2 3.92Å; V277-L322 HydrophobicContact CG2-CG 4.08Å; L294-L322 HydrophobicContact CD2-CD2 3.52Å; V303-L322 HydrophobicContact CG1-CD2 4.22Å; L322-T326 HydrophobicContact CB-CG2 4.4Å; L322-I327 HydrophobicContact CD1-CD1 3.39Å; L322-I327 HydrophobicContact CD1-CG1 3.65Å
323	P	90.8	Very high	89	Confident	60 Å²	60	56.6 Å²	56.6	39%	0.39	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-57.1	143.8	169.8	-22.3	32.8	0	0	0	111.1	G325 T326	P323-G325 PolarHBondContact O-N 3.09Å; P323-T326 WeakPolarHBondContact CD-OG1 3.14Å; P323-T326 WeakPolarHBondContact O-CB 3.47Å; P323-T326 PolarHBondContact O-N 3.08Å; P323-T326 VanDerWaalsContact O-N 3.17Å; P323-T326 PolarHBondContact O-OG1 2.82Å
324	P	88.3	Confident	89.1	Confident	120 Å²	120	49.4 Å²	49.4	78%	0.779	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	136.9	179.7	-26.6	34.6	0	0	0	114	E275 T326	E275-P324 VanDerWaalsContact OE2-CA 3.28Å; E275-P324 WeakPolarHBondContact OE2-CA 3.34Å; P324-T326 VanDerWaalsContact C-N 3.29Å
325	G	84.8	Confident	89.2	Confident	57 Å²	57	47 Å²	47	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	4.9	-177.6	0	0	0	0	0	114.6	E275 P323 I327	E275-G325 PolarHBondContact OE1-N 3.42Å; P323-G325 PolarHBondContact O-N 3.09Å; G325-I327 VanDerWaalsContact C-N 3.34Å
326	T	86.6	Confident	89.3	Confident	31 Å²	31	47.1 Å²	47.1	19%	0.19	28%	0.28	C	S	.	.	S	Bend	trans	-65.4	-39.1	179.2	-63.9	0	0	0	0	111.6	L296 L322 P323 P324	L296-T326 HydrophobicContact CD2-CG2 3.24Å; L322-T326 HydrophobicContact CB-CG2 4.4Å; P323-T326 WeakPolarHBondContact CD-OG1 3.14Å; P323-T326 WeakPolarHBondContact O-CB 3.47Å; P323-T326 PolarHBondContact O-N 3.08Å; P323-T326 VanDerWaalsContact O-N 3.17Å; P323-T326 PolarHBondContact O-OG1 2.82Å; P324-T326 VanDerWaalsContact C-N 3.29Å
327	I	86.1	Confident	89.5	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.062	28%	0.284	C	S	.	.	S	Bend	trans	-100.9	99.5	175.3	-54.5	-177.7	0	0	0	108	V270 R272 L322 G325 L351	V270-I327 HydrophobicContact CG2-CD1 3.51Å; R272-I327 HydrophobicContact CB-CG2 4.31Å; R272-I327 HydrophobicContact CG-CG2 3.9Å; L322-I327 HydrophobicContact CD1-CD1 3.39Å; L322-I327 HydrophobicContact CD1-CG1 3.65Å; G325-I327 VanDerWaalsContact C-N 3.34Å; I327-L351 HydrophobicContact CD1-CD2 3.99Å; I327-L351 HydrophobicContact CG2-CD2 3.48Å; I327-L351 VanDerWaalsContact CG2-CD2 3.48Å
328	S	81.5	Confident	89.5	Confident	34 Å²	34	47.9 Å²	47.9	24%	0.238	28%	0.284	C	S	.	.			trans	-100.6	158.6	-178.8	79.8	0	0	0	0	111.8	R272 I330 H334	R272-S328 PolarHBondContact NH1-O 2.81Å; S328-I330 VanDerWaalsContact C-N 3.27Å; S328-I330 PolarHBondContact OG-N 3.49Å; S328-H334 PolarHBondContact N-NE2 3.48Å; S328-H334 PolarHBondContact O-CD2 3.23Å; S328-H334 PolarHBondContact O-NE2 3.26Å
329	D	78.2	Confident	89.4	Confident	100 Å²	100	50.9 Å²	50.9	54%	0.535	30%	0.298	S	S	.	.	S	Bend	trans	-87.8	5.6	169.2	-72.6	-41.3	0	0	0	112.8	R272 T353	R272-D329 IonicContact CZ-OD1 3.51Å; R272-D329 IonicContact NE-OD1 3.69Å; R272-D329 PolarHBondContact NE-OD1 3.13Å; R272-D329 IonicContact NH1-OD1 3.95Å; R272-D329 PolarHBondContact NH1-OD1 2.87Å; R272-D329 IonicContact NH2-OD1 3.44Å; D329-T353 HydrophobicContact CB-CG2 4.13Å; D329-T353 WeakPolarHBondContact O-CG2 3.34Å
330	I	78	Confident	89.3	Confident	161 Å²	161	50.7 Å²	50.7	83%	0.826	30%	0.297	S	S	*	.	S	Bend	trans	-78.5	-37	-179.2	-55.1	174.4	0	0	0	110.6	S328	S328-I330 VanDerWaalsContact C-N 3.27Å; S328-I330 PolarHBondContact OG-N 3.49Å
331	A	78.4	Confident	89	Confident	33 Å²	33	53.8 Å²	53.8	27%	0.273	32%	0.316	S	S	.	.	S	Bend	trans	-81	146.4	175.4	0	0	0	0	0	110.7	E333 T353	A331-E333 VanDerWaalsContact C-N 3.29Å; A331-E333 PolarHBondContact O-N 3.02Å; A331-T353 PolarHBondContact O-OG1 3.36Å
332	N	83.7	Confident	88.6	Confident	141 Å²	141	55.8 Å²	55.8	75%	0.754	32%	0.323	S	S	*	.	S	Bend	trans	-65.7	-32	177.6	-72.1	-18	0	0	0	112.8	T353	N332-T353 WeakPolarHBondContact CA-OG1 3.27Å; N332-T353 PolarHBondContact O-N 3.31Å; N332-T353 PolarHBondContact O-OG1 2.73Å
333	E	91.4	Very high	88.2	Confident	73 Å²	73	60.4 Å²	60.4	34%	0.341	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	156.5	176	64.6	-178.9	-161.3	0	0	109.6	A331 N335 L351 Y352	A331-E333 VanDerWaalsContact C-N 3.29Å; A331-E333 PolarHBondContact O-N 3.02Å; E333-N335 PolarHBondContact OE1-ND2 3.2Å; E333-L351 CarbonylContact C-O 3.54Å; E333-L351 WeakPolarHBondContact CA-O 3.2Å; E333-Y352 HydrophobicContact CB-CD1 3.87Å; E333-Y352 HydrophobicContact CB-CE1 4.14Å; E333-Y352 WeakPolarHBondContact OE2-CE1 3.35Å
334	H	92.3	Very high	87.9	Confident	9 Å²	9	65.5 Å²	65.5	4%	0.042	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.9	166.9	-75.3	-70.7	0	0	0	109	L296 D297 S328 L351	L296-H334 HydrophobicContact CD1-CB 4.25Å; D297-H334 VanDerWaalsContact OD1-CA 3.26Å; D297-H334 WeakPolarHBondContact OD1-CA 3.29Å; D297-H334 IonicContact OD1-ND1 2.7Å; D297-H334 IonicContact OD2-CE1 2.75Å; D297-H334 IonicContact OD2-CG 3.52Å; D297-H334 IonicContact OD2-ND1 3.56Å; D297-H334 PolarHBondContact OD2-ND1 2.91Å; S328-H334 PolarHBondContact N-NE2 3.48Å; S328-H334 PolarHBondContact O-CD2 3.23Å; S328-H334 PolarHBondContact O-NE2 3.26Å; H334-L351 HydrophobicContact CB-CB 4.4Å; H334-L351 PolarHBondContact N-O 3.28Å; H334-L351 PolarHBondContact O-N 3.27Å
335	N	94.4	Very high	88	Confident	66 Å²	66	61.4 Å²	61.4	35%	0.353	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.2	-179	-72.6	-44.7	0	0	0	110	L296 D297 E333 A350	L296-N335 CarbonylContact C-O 3.58Å; L296-N335 WeakPolarHBondContact CA-O 3.3Å; D297-N335 PolarHBondContact N-O 2.68Å; D297-N335 PolarHBondContact OD1-N 3.28Å; E333-N335 PolarHBondContact OE1-ND2 3.2Å; N335-A350 WeakPolarHBondContact OD1-CB 3.47Å
336	L	95.9	Very high	88.3	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.016	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126	-177.7	177.5	135	0	0	0	110.2	A268 V270 V277 L294 V295 L296 V338 D348 C349	A268-L336 HydrophobicContact CB-CD2 4.33Å; V270-L336 HydrophobicContact CB-CD1 4.18Å; V270-L336 HydrophobicContact CG2-CD1 4.22Å; V277-L336 HydrophobicContact CB-CD1 4.42Å; V277-L336 HydrophobicContact CG1-CD1 3.98Å; V277-L336 HydrophobicContact CG1-CD2 4.36Å; V277-L336 HydrophobicContact CG2-CD1 3.5Å; L294-L336 HydrophobicContact CD1-CD1 3.61Å; L294-L336 HydrophobicContact CD1-CD2 4.4Å; L294-L336 HydrophobicContact CD1-CG 3.72Å; V295-L336 WeakPolarHBondContact O-CA 3.23Å; L296-L336 HydrophobicContact CD1-CB 4.01Å; L296-L336 HydrophobicContact CD1-CD1 4.29Å; L336-V338 HydrophobicContact CD2-CG2 3.79Å; L336-D348 CarbonylContact O-C 3.52Å; L336-D348 VanDerWaalsContact O-CA 3.31Å; L336-D348 WeakPolarHBondContact O-CA 3.39Å; L336-C349 WeakPolarHBondContact CB-O 3.08Å; L336-C349 HydrophobicContact CD2-CB 4.2Å; L336-C349 PolarHBondContact N-O 3.18Å; L336-C349 PolarHBondContact O-N 3.47Å
337	T	96.8	Very high	88.7	Confident	26 Å²	26	63.3 Å²	63.3	16%	0.16	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.8	171.3	-54.2	0	0	0	0	109.7	V295 H339 H346 R347 D348	V295-T337 PolarHBondContact N-O 2.91Å; V295-T337 PolarHBondContact O-N 2.63Å; T337-H339 WeakPolarHBondContact CG2-NE2 3.5Å; T337-H346 HydrophobicContact CG2-CB 4.17Å; T337-R347 WeakPolarHBondContact CA-O 3.45Å; T337-D348 VanDerWaalsContact CB-OD1 3.24Å; T337-D348 WeakPolarHBondContact CB-OD1 3.16Å; T337-D348 WeakPolarHBondContact CG2-OD1 3.49Å; T337-D348 PolarHBondContact OG1-OD1 3.18Å
338	V	96.4	Very high	89.1	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120	172.4	-176.9	0	0	0	0	108.6	I265 A268 V277 V279 L292 L294 W305 L336 H346 R347	I265-V338 HydrophobicContact CD1-CB 4.24Å; I265-V338 HydrophobicContact CD1-CG1 3.8Å; I265-V338 WeakPolarHBondContact CD1-O 3.24Å; A268-V338 HydrophobicContact CB-CG2 4.29Å; V277-V338 HydrophobicContact CG1-CG2 4.42Å; V279-V338 HydrophobicContact CG1-CG1 4.27Å; V279-V338 HydrophobicContact CG2-CB 4.35Å; V279-V338 HydrophobicContact CG2-CG1 3.83Å; V279-V338 HydrophobicContact CG2-CG2 3.89Å; L292-V338 HydrophobicContact CD2-CG1 3.64Å; L294-V338 HydrophobicContact CD1-CG2 4.01Å; W305-V338 HydrophobicContact CZ2-CG1 4.41Å; L336-V338 HydrophobicContact CD2-CG2 3.79Å; V338-H346 CarbonylContact O-C 3.03Å; V338-H346 WeakPolarHBondContact O-CA 3.47Å; V338-H346 WeakPolarHBondContact O-CB 3.25Å; V338-R347 PolarHBondContact N-O 3.04Å; V338-R347 PolarHBondContact O-N 2.7Å
339	H	94.8	Very high	89.7	Confident	63 Å²	63	64.8 Å²	64.8	29%	0.292	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.2	174.5	-60.9	-91.8	0	0	0	110.8	L292 L293 T337	L292-H339 WeakPolarHBondContact CA-O 3.43Å; L293-H339 HydrophobicContact CB-CB 4.24Å; L293-H339 PolarHBondContact N-O 3.04Å; L293-H339 PolarHBondContact O-N 3.42Å; T337-H339 WeakPolarHBondContact CG2-NE2 3.5Å
340	W	92.9	Very high	90.4	Very high	3 Å²	3	61.1 Å²	61.1	1%	0.011	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	101.2	164	179.9	-122.1	0	0	0	108.7	I265 F281 V285 A287 S291 L292 E342 K343 H344 T345	I265-W340 HydrophobicContact CD1-CB 3.87Å; I265-W340 HydrophobicContact CG1-CB 4.05Å; F281-W340 HydrophobicContact CE1-CB 4.41Å; F281-W340 AromaticContact CE1-CD2 3.73Å; F281-W340 HydrophobicContact CE1-CD2 3.73Å; F281-W340 AromaticContact CE1-CE3 3.68Å; F281-W340 HydrophobicContact CE1-CE3 3.68Å; F281-W340 HydrophobicContact CE1-CG 4.05Å; F281-W340 HydrophobicContact CE1-CZ3 4.14Å; F281-W340 HydrophobicContact CZ-CD2 4.19Å; F281-W340 AromaticContact CZ-CE3 3.65Å; F281-W340 HydrophobicContact CZ-CE3 3.65Å; F281-W340 AromaticContact CZ-CZ3 3.88Å; F281-W340 HydrophobicContact CZ-CZ3 3.88Å; V285-W340 HydrophobicContact CB-CH2 4.2Å; V285-W340 HydrophobicContact CB-CZ2 4.38Å; V285-W340 HydrophobicContact CG1-CZ2 4.49Å; V285-W340 HydrophobicContact CG2-CH2 4.17Å; V285-W340 HydrophobicContact CG2-CZ3 4.49Å; A287-W340 HydrophobicContact CB-CH2 4.38Å; A287-W340 HydrophobicContact CB-CZ3 3.78Å; S291-W340 WeakPolarHBondContact O-CA 3.5Å; S291-W340 VanDerWaalsContact O-CE3 3.29Å; S291-W340 VanDerWaalsContact OG-CH2 3.22Å; S291-W340 WeakPolarHBondContact OG-CH2 3.03Å; S291-W340 WeakPolarHBondContact OG-CZ3 3.44Å; L292-W340 HydrophobicContact CD2-CB 4.5Å; L292-W340 HydrophobicContact CD2-CE3 3.75Å; L292-W340 HydrophobicContact CD2-CZ3 4.45Å; L292-W340 HydrophobicContact CG-CE3 3.79Å; L292-W340 HydrophobicContact CG-CZ3 4.02Å; W340-E342 VanDerWaalsContact C-N 3.34Å; W340-E342 HydrophobicContact CZ2-CB 4.25Å; W340-E342 HydrophobicContact CZ2-CG 4.43Å; W340-E342 WeakPolarHBondContact CZ2-OE2 3.29Å; W340-E342 PolarHBondContact O-N 2.86Å; W340-K343 VanDerWaalsContact CD1-CG 3.46Å; W340-K343 PolarHBondContact O-N 3.29Å; W340-H344 WeakPolarHBondContact O-CA 3.34Å; W340-H344 PolarHBondContact O-N 2.79Å; W340-T345 PolarHBondContact N-O 3.48Å; W340-T345 PolarHBondContact O-N 3.35Å
341	T	88.7	Confident	91.2	Very high	65 Å²	65	53.5 Å²	53.5	40%	0.399	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.2	-166.8	58.6	0	0	0	0	112.7	S291 L293 K343 H344	S291-T341 WeakPolarHBondContact CA-OG1 3.48Å; S291-T341 PolarHBondContact O-N 2.82Å; S291-T341 PolarHBondContact O-OG1 3.34Å; S291-T341 VanDerWaalsContact O-OG1 3.09Å; L293-T341 HydrophobicContact CB-CG2 4.27Å; T341-K343 PolarHBondContact O-N 3.49Å; T341-H344 PolarHBondContact O-ND1 3.4Å
342	E	86.7	Confident	91.9	Very high	104 Å²	104	57.9 Å²	57.9	49%	0.486	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-36.6	-179	-66.7	-177.5	-174.7	0	0	113	S291 W340	S291-E342 WeakPolarHBondContact CB-OE1 3.43Å; W340-E342 VanDerWaalsContact C-N 3.34Å; W340-E342 HydrophobicContact CZ2-CB 4.25Å; W340-E342 HydrophobicContact CZ2-CG 4.43Å; W340-E342 WeakPolarHBondContact CZ2-OE2 3.29Å; W340-E342 PolarHBondContact O-N 2.86Å
343	K	84.6	Confident	92.2	Very high	108 Å²	108	54 Å²	54	47%	0.47	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	3.3	179.9	-48.4	-73.2	-177.8	176.4	0	113.8	E263 W340 T341 T345	E263-K343 HydrophobicContact CB-CG 4.5Å; E263-K343 WeakPolarHBondContact OE2-CE 3.43Å; E263-K343 IonicContact OE2-NZ 2.71Å; W340-K343 VanDerWaalsContact CD1-CG 3.46Å; W340-K343 PolarHBondContact O-N 3.29Å; T341-K343 PolarHBondContact O-N 3.49Å; K343-T345 HydrophobicContact CB-CG2 4.26Å; K343-T345 PolarHBondContact O-N 3.21Å
344	H	86.3	Confident	92	Very high	166 Å²	166	54 Å²	54	77%	0.769	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	26.8	177.2	-52.5	61.6	0	0	0	113	W340 T341	W340-H344 WeakPolarHBondContact O-CA 3.34Å; W340-H344 PolarHBondContact O-N 2.79Å; T341-H344 PolarHBondContact O-ND1 3.4Å
345	T	89.1	Confident	92	Very high	34 Å²	34	61.7 Å²	61.7	21%	0.209	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	150.4	174.9	61	0	0	0	0	110.1	M264 W340 K343	M264-T345 HydrophobicContact CB-CG2 4.5Å; W340-T345 PolarHBondContact N-O 3.48Å; W340-T345 PolarHBondContact O-N 3.35Å; K343-T345 HydrophobicContact CB-CG2 4.26Å; K343-T345 PolarHBondContact O-N 3.21Å
346	H	92.1	Very high	92	Very high	94 Å²	94	61.8 Å²	61.8	44%	0.435	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.9	175.6	64.1	-77.2	0	0	0	111.8	T337 V338 D348	T337-H346 HydrophobicContact CG2-CB 4.17Å; V338-H346 CarbonylContact O-C 3.03Å; V338-H346 WeakPolarHBondContact O-CA 3.47Å; V338-H346 WeakPolarHBondContact O-CB 3.25Å; H346-D348 IonicContact CD2-OD1 3.54Å; H346-D348 IonicContact CD2-OD2 2.83Å; H346-D348 PolarHBondContact CD2-OD2 3.2Å; H346-D348 IonicContact NE2-OD2 3.64Å
347	R	94.5	Very high	91.9	Very high	35 Å²	35	63 Å²	63	13%	0.132	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.3	170.9	-75.4	-68	177.9	-167.5	-10.2	110.6	I265 A268 T337 V338 D362	I265-R347 HydrophobicContact CB-CB 4.48Å; I265-R347 HydrophobicContact CB-CG 3.71Å; I265-R347 HydrophobicContact CG2-CB 4.01Å; I265-R347 HydrophobicContact CG2-CG 3.52Å; I265-R347 PolarHBondContact O-NE 2.73Å; A268-R347 HydrophobicContact CB-CB 4.12Å; T337-R347 WeakPolarHBondContact CA-O 3.45Å; V338-R347 PolarHBondContact N-O 3.04Å; V338-R347 PolarHBondContact O-N 2.7Å; R347-D362 IonicContact CZ-OD1 3.92Å; R347-D362 IonicContact CZ-OD2 3.77Å; R347-D362 VanDerWaalsContact CZ-OD2 3.25Å; R347-D362 IonicContact NE-OD2 2.7Å; R347-D362 IonicContact NH1-OD1 3.18Å; R347-D362 PolarHBondContact NH1-OD1 3.3Å; R347-D362 IonicContact NH2-OD1 2.64Å; R347-D362 PolarHBondContact NH2-OD1 2.96Å; R347-D362 IonicContact NH2-OD2 3.5Å; R347-D362 PolarHBondContact NH2-OD2 2.67Å
348	D	94.3	Very high	91.9	Very high	67 Å²	67	62.9 Å²	62.9	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145.1	179.8	-56.7	-58.2	0	0	0	111	L336 T337 H346 C360	L336-D348 CarbonylContact O-C 3.52Å; L336-D348 VanDerWaalsContact O-CA 3.31Å; L336-D348 WeakPolarHBondContact O-CA 3.39Å; T337-D348 VanDerWaalsContact CB-OD1 3.24Å; T337-D348 WeakPolarHBondContact CB-OD1 3.16Å; T337-D348 WeakPolarHBondContact CG2-OD1 3.49Å; T337-D348 PolarHBondContact OG1-OD1 3.18Å; H346-D348 IonicContact CD2-OD1 3.54Å; H346-D348 IonicContact CD2-OD2 2.83Å; H346-D348 PolarHBondContact CD2-OD2 3.2Å; H346-D348 IonicContact NE2-OD2 3.64Å; D348-C360 WeakPolarHBondContact O-CB 3.26Å
349	C	93.6	Very high	91.9	Very high	10 Å²	10	67.9 Å²	67.9	7%	0.068	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	135.8	175.5	176.2	0	0	0	0	109.4	L336 S358 W359 C360	L336-C349 WeakPolarHBondContact CB-O 3.08Å; L336-C349 HydrophobicContact CD2-CB 4.2Å; L336-C349 PolarHBondContact N-O 3.18Å; L336-C349 PolarHBondContact O-N 3.47Å; C349-S358 VanDerWaalsContact SG-CB 3.51Å; C349-S358 PolarHBondContact SG-OG 3.12Å; C349-W359 VanDerWaalsContact SG-C 3.53Å; C349-W359 WeakPolarHBondContact SG-CA 3.37Å; C349-W359 PolarHBondContact SG-N 2.77Å; C349-C360 HydrophobicContact CB-CB 4.35Å
350	A	94.4	Very high	91.9	Very high	22 Å²	22	66.7 Å²	66.7	18%	0.182	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.9	177.9	0	0	0	0	0	110.6	N335 Y352 S358	N335-A350 WeakPolarHBondContact OD1-CB 3.47Å; A350-Y352 HydrophobicContact CB-CE2 4.19Å; A350-S358 VanDerWaalsContact O-CB 3.23Å; A350-S358 WeakPolarHBondContact O-CB 3.36Å; A350-S358 PolarHBondContact O-OG 2.9Å
351	L	94.3	Very high	91.9	Very high	2 Å²	2	69 Å²	69	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	101.6	176.3	178.5	65.1	0	0	0	110.5	V270 R272 I327 E333 H334 R355 E357	V270-L351 HydrophobicContact CG1-CB 4.05Å; V270-L351 HydrophobicContact CG1-CD2 4.21Å; V270-L351 HydrophobicContact CG2-CD2 4.21Å; R272-L351 HydrophobicContact CB-CD2 4.2Å; I327-L351 HydrophobicContact CD1-CD2 3.99Å; I327-L351 HydrophobicContact CG2-CD2 3.48Å; I327-L351 VanDerWaalsContact CG2-CD2 3.48Å; E333-L351 CarbonylContact C-O 3.54Å; E333-L351 WeakPolarHBondContact CA-O 3.2Å; H334-L351 HydrophobicContact CB-CB 4.4Å; H334-L351 PolarHBondContact N-O 3.28Å; H334-L351 PolarHBondContact O-N 3.27Å; L351-R355 HydrophobicContact CD1-CB 4.13Å; L351-E357 VanDerWaalsContact CD1-C 3.43Å
352	Y	92.8	Very high	92	Very high	125 Å²	125	66.4 Å²	66.4	49%	0.49	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	152.9	179.4	-61.8	-76.2	0	0	0	113.1	R272 E333 A350 R355	R272-Y352 PolarHBondContact NH2-O 3.35Å; E333-Y352 HydrophobicContact CB-CD1 3.87Å; E333-Y352 HydrophobicContact CB-CE1 4.14Å; E333-Y352 WeakPolarHBondContact OE2-CE1 3.35Å; A350-Y352 HydrophobicContact CB-CE2 4.19Å; Y352-R355 WeakPolarHBondContact O-CB 3.38Å; Y352-R355 PolarHBondContact O-N 3.49Å
353	T	89.3	Confident	92.2	Very high	59 Å²	59	63.2 Å²	63.2	36%	0.362	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.1	172.6	-40	0	0	0	0	111.2	D329 A331 N332 R355	D329-T353 HydrophobicContact CB-CG2 4.13Å; D329-T353 WeakPolarHBondContact O-CG2 3.34Å; A331-T353 PolarHBondContact O-OG1 3.36Å; N332-T353 WeakPolarHBondContact CA-OG1 3.27Å; N332-T353 PolarHBondContact O-N 3.31Å; N332-T353 PolarHBondContact O-OG1 2.73Å; T353-R355 PolarHBondContact O-N 2.93Å
354	G	87.9	Confident	92.3	Very high	72 Å²	72	58.1 Å²	58.1	74%	0.742	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-6.9	-179.6	0	0	0	0	0	114.9
355	R	93.2	Very high	92.2	Very high	171 Å²	171	53.8 Å²	53.8	65%	0.645	29%	0.286	S	S	*	.			trans	-88.3	135.8	166.3	-62.9	-68.8	-171.8	166.3	2.3	109.8	R272 L351 Y352 T353	R272-R355 PolarHBondContact NE-O 3.11Å; L351-R355 HydrophobicContact CD1-CB 4.13Å; Y352-R355 WeakPolarHBondContact O-CB 3.38Å; Y352-R355 PolarHBondContact O-N 3.49Å; T353-R355 PolarHBondContact O-N 2.93Å
356	S	92.6	Very high	91.9	Very high	69 Å²	69	56.5 Å²	56.5	48%	0.483	30%	0.299	S	S	.	.	S	Bend	trans	-79.2	-19.8	177.4	53.9	0	0	0	0	113.2	R272	R272-S356 VanDerWaalsContact CB-O 3.3Å; R272-S356 WeakPolarHBondContact CB-O 3.39Å; R272-S356 PolarHBondContact N-O 2.94Å
357	E	95.3	Very high	91.4	Very high	27 Å²	27	53.4 Å²	53.4	13%	0.126	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	161.9	-175.9	59.4	-174.8	-176.5	0	0	111.4	Y269 V270 L351 W359 R462 K527	Y269-E357 HydrophobicContact CE2-CB 3.78Å; Y269-E357 HydrophobicContact CE2-CG 4.32Å; Y269-E357 VanDerWaalsContact CE2-OE2 3.3Å; Y269-E357 WeakPolarHBondContact CE2-OE2 3.47Å; Y269-E357 PolarHBondContact OH-OE2 2.91Å; V270-E357 WeakPolarHBondContact O-CA 3.22Å; V270-E357 VanDerWaalsContact O-CB 3.31Å; V270-E357 WeakPolarHBondContact O-CB 3.4Å; L351-E357 VanDerWaalsContact CD1-C 3.43Å; E357-W359 HydrophobicContact CG-CZ3 4.09Å; E357-R462 IonicContact OE1-CZ 3.82Å; E357-R462 IonicContact OE1-NH1 3.89Å; E357-R462 PolarHBondContact OE1-NH1 3Å; E357-R462 IonicContact OE1-NH2 2.65Å; E357-R462 PolarHBondContact OE1-NH2 3.19Å; E357-R462 IonicContact OE2-NH2 3.31Å; E357-K527 IonicContact OE2-NZ 3Å; E357-K527 PolarHBondContact OE2-NZ 2.95Å
358	S	96.3	Very high	91	Very high	24 Å²	24	53 Å²	53	17%	0.168	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	158.6	173.1	-167.7	0	0	0	0	110	V270 C349 A350	V270-S358 PolarHBondContact N-O 2.58Å; V270-S358 PolarHBondContact O-N 2.68Å; C349-S358 VanDerWaalsContact SG-CB 3.51Å; C349-S358 PolarHBondContact SG-OG 3.12Å; A350-S358 VanDerWaalsContact O-CB 3.23Å; A350-S358 WeakPolarHBondContact O-CB 3.36Å; A350-S358 PolarHBondContact O-OG 2.9Å
359	W	96.5	Very high	90.6	Very high	105 Å²	105	50.8 Å²	50.8	40%	0.398	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	160.9	176.5	59	87.9	0	0	0	112.7	A268 Y269 C349 E357 L482	A268-W359 CarbonylContact O-C 3.59Å; A268-W359 WeakPolarHBondContact O-CA 3.37Å; A268-W359 WeakPolarHBondContact O-CB 3.39Å; Y269-W359 HydrophobicContact CD2-CB 4.2Å; Y269-W359 HydrophobicContact CD2-CE3 4.4Å; C349-W359 VanDerWaalsContact SG-C 3.53Å; C349-W359 WeakPolarHBondContact SG-CA 3.37Å; C349-W359 PolarHBondContact SG-N 2.77Å; E357-W359 HydrophobicContact CG-CZ3 4.09Å; W359-L482 HydrophobicContact CB-CD1 4.18Å; W359-L482 HydrophobicContact CB-CD2 3.91Å; W359-L482 HydrophobicContact CD2-CD1 4.02Å; W359-L482 HydrophobicContact CD2-CD2 4.24Å; W359-L482 HydrophobicContact CG-CD1 3.58Å; W359-L482 HydrophobicContact CG-CD2 3.95Å; W359-L482 HydrophobicContact CG-CG 4.44Å
360	C	95.4	Very high	90.3	Very high	38 Å²	38	50.6 Å²	50.6	26%	0.257	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.3	159.8	177.3	0	0	0	0	107.3	C267 A268 D348 C349	C267-C360 CarbonylContact C-O 3.16Å; C267-C360 WeakPolarHBondContact CA-O 3.42Å; C267-C360 PolarHBondContact SG-O 3.41Å; A268-C360 PolarHBondContact N-O 3.31Å; A268-C360 PolarHBondContact O-N 2.65Å; D348-C360 WeakPolarHBondContact O-CB 3.26Å; C349-C360 HydrophobicContact CB-CB 4.35Å
361	R	93.1	Very high	89.9	Confident	51 Å²	51	53.1 Å²	53.1	19%	0.192	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	133.1	-176	176.1	173.3	-179.5	-105.9	-8	109.4	S266 C267 E457 Q479 L482	S266-R361 WeakPolarHBondContact O-CA 3.38Å; C267-R361 HydrophobicContact CB-CB 4.17Å; C267-R361 HydrophobicContact CB-CG 4.18Å; R361-E457 IonicContact CZ-OE1 3.94Å; R361-E457 IonicContact NH1-OE1 2.79Å; R361-E457 PolarHBondContact NH1-OE1 3.34Å; R361-E457 IonicContact NH2-OE1 3.24Å; R361-E457 PolarHBondContact NH2-OE1 2.9Å; R361-Q479 PolarHBondContact NH2-O 3.47Å; R361-L482 HydrophobicContact CB-CD1 4.11Å; R361-L482 HydrophobicContact CG-CD1 4.47Å
362	D	90.6	Very high	89.3	Confident	12 Å²	12	54 Å²	54	6%	0.064	28%	0.283	C	S	.	.			trans	-78.8	127.4	159.8	-49.8	-54.8	0	0	0	108.6	S266 R347 D366 L367	S266-D362 PolarHBondContact O-N 3.48Å; R347-D362 IonicContact CZ-OD1 3.92Å; R347-D362 IonicContact CZ-OD2 3.77Å; R347-D362 VanDerWaalsContact CZ-OD2 3.25Å; R347-D362 IonicContact NE-OD2 2.7Å; R347-D362 IonicContact NH1-OD1 3.18Å; R347-D362 PolarHBondContact NH1-OD1 3.3Å; R347-D362 IonicContact NH2-OD1 2.64Å; R347-D362 PolarHBondContact NH2-OD1 2.96Å; R347-D362 IonicContact NH2-OD2 3.5Å; R347-D362 PolarHBondContact NH2-OD2 2.67Å; D362-D366 HydrophobicContact CB-CB 4.49Å; D362-L367 HydrophobicContact CB-CD1 3.83Å; D362-L367 HydrophobicContact CB-CD2 3.49Å; D362-L367 VanDerWaalsContact CB-CD2 3.49Å; D362-L367 HydrophobicContact CB-CG 3.45Å; D362-L367 VanDerWaalsContact CB-CG 3.45Å
363	T	89.2	Confident	88.8	Confident	37 Å²	37	54.9 Å²	54.9	23%	0.227	29%	0.291	C	S	.	.			trans	-71.3	162.5	177.7	68.3	0	0	0	0	111	T365 D366 L367	T363-T365 PolarHBondContact O-N 3.46Å; T363-T365 PolarHBondContact OG1-N 3.35Å; T363-D366 WeakPolarHBondContact CB-OD2 3.47Å; T363-D366 WeakPolarHBondContact CG2-OD2 3.29Å; T363-D366 PolarHBondContact N-OD2 3.19Å; T363-D366 PolarHBondContact O-N 3.37Å; T363-D366 PolarHBondContact OG1-N 3.48Å; T363-D366 PolarHBondContact OG1-OD1 3.38Å; T363-D366 PolarHBondContact OG1-OD2 2.62Å; T363-L367 WeakPolarHBondContact O-CB 3.33Å; T363-L367 WeakPolarHBondContact O-CG 3.41Å; T363-L367 PolarHBondContact O-N 3.48Å
364	A	88.1	Confident	88.6	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.008	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.3	172.8	0	0	0	0	0	111.9	E368 L369 F370 I453 L454 E457	A364-E368 PolarHBondContact O-N 3.25Å; A364-L369 HydrophobicContact CB-CB 4.07Å; A364-L369 HydrophobicContact CB-CD2 4.03Å; A364-L369 PolarHBondContact O-N 3.09Å; A364-F370 HydrophobicContact CB-CD2 3.78Å; A364-F370 HydrophobicContact CB-CE2 3.34Å; A364-F370 HydrophobicContact CB-CZ 3.97Å; A364-I453 HydrophobicContact CB-CG2 4.09Å; A364-L454 HydrophobicContact CB-CD2 4.4Å; A364-E457 WeakPolarHBondContact CB-OE1 3.39Å; A364-E457 WeakPolarHBondContact CB-OE2 3.48Å; A364-E457 VanDerWaalsContact N-CD 3.31Å; A364-E457 PolarHBondContact N-OE1 2.94Å; A364-E457 PolarHBondContact N-OE2 2.59Å
365	T	84.3	Confident	88.7	Confident	74 Å²	74	51.8 Å²	51.8	45%	0.454	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-52.2	172.5	-53.5	0	0	0	0	110.9	T363 L367 E368 E457	T363-T365 PolarHBondContact O-N 3.46Å; T363-T365 PolarHBondContact OG1-N 3.35Å; T365-L367 PolarHBondContact O-N 3.13Å; T365-E368 PolarHBondContact O-N 3.44Å; T365-E457 PolarHBondContact N-OE2 3.08Å
366	D	82.7	Confident	88.7	Confident	91 Å²	91	49.1 Å²	49.1	49%	0.487	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.9	179	-55.2	-40.8	0	0	0	112.4	D362 T363 E368	D362-D366 HydrophobicContact CB-CB 4.49Å; T363-D366 WeakPolarHBondContact CB-OD2 3.47Å; T363-D366 WeakPolarHBondContact CG2-OD2 3.29Å; T363-D366 PolarHBondContact N-OD2 3.19Å; T363-D366 PolarHBondContact O-N 3.37Å; T363-D366 PolarHBondContact OG1-N 3.48Å; T363-D366 PolarHBondContact OG1-OD1 3.38Å; T363-D366 PolarHBondContact OG1-OD2 2.62Å; D366-E368 VanDerWaalsContact C-N 3.28Å
367	L	81.3	Confident	88.6	Confident	30 Å²	30	51.5 Å²	51.5	16%	0.157	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.8	178.8	-66.4	-179	0	0	0	113.8	M264 D362 T363 T365 L369	M264-L367 HydrophobicContact CE-CD2 4.33Å; M264-L367 HydrophobicContact SD-CD2 4.41Å; D362-L367 HydrophobicContact CB-CD1 3.83Å; D362-L367 HydrophobicContact CB-CD2 3.49Å; D362-L367 VanDerWaalsContact CB-CD2 3.49Å; D362-L367 HydrophobicContact CB-CG 3.45Å; D362-L367 VanDerWaalsContact CB-CG 3.45Å; T363-L367 WeakPolarHBondContact O-CB 3.33Å; T363-L367 WeakPolarHBondContact O-CG 3.41Å; T363-L367 PolarHBondContact O-N 3.48Å; T365-L367 PolarHBondContact O-N 3.13Å; L367-L369 HydrophobicContact CB-CB 4.22Å; L367-L369 PolarHBondContact O-N 3.13Å; L367-L369 VanDerWaalsContact O-N 3.08Å
368	E	85.1	Confident	88.4	Confident	25 Å²	25	50.8 Å²	50.8	12%	0.117	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	43	-169.7	-72.3	-177.1	-144.8	0	0	111.7	H219 R258 A364 T365 D366 R371 S372 E373	H219-E368 IonicContact CE1-OE1 2.65Å; H219-E368 PolarHBondContact CE1-OE1 2.75Å; H219-E368 IonicContact ND1-OE1 3.63Å; H219-E368 PolarHBondContact ND1-OE1 3.05Å; H219-E368 VanDerWaalsContact ND1-OE1 3.13Å; R258-E368 PolarHBondContact NH1-O 3.03Å; A364-E368 PolarHBondContact O-N 3.25Å; T365-E368 PolarHBondContact O-N 3.44Å; D366-E368 VanDerWaalsContact C-N 3.28Å; E368-R371 CarbonylContact C-O 3.58Å; E368-R371 VanDerWaalsContact C-O 3.29Å; E368-R371 WeakPolarHBondContact CA-O 3.45Å; E368-R371 VanDerWaalsContact CB-O 3.29Å; E368-R371 WeakPolarHBondContact CB-O 3.41Å; E368-S372 WeakPolarHBondContact OE2-CA 3.39Å; E368-S372 WeakPolarHBondContact OE2-CB 3.21Å; E368-S372 PolarHBondContact OE2-OG 2.83Å; E368-E373 HydrophobicContact CG-CG 4.32Å; E368-E373 PolarHBondContact OE2-N 2.97Å
369	L	86.1	Confident	88.3	Confident	21 Å²	21	51.2 Å²	51.2	11%	0.11	26%	0.262	C	S	.	.			trans	-72.9	-37.2	-166.1	167.5	61.5	0	0	0	111.9	R258 R261 A364 L367 Q479	R258-L369 PolarHBondContact NH1-O 3.2Å; R261-L369 VanDerWaalsContact NH2-CD1 3.27Å; A364-L369 HydrophobicContact CB-CB 4.07Å; A364-L369 HydrophobicContact CB-CD2 4.03Å; A364-L369 PolarHBondContact O-N 3.09Å; L367-L369 HydrophobicContact CB-CB 4.22Å; L367-L369 PolarHBondContact O-N 3.13Å; L367-L369 VanDerWaalsContact O-N 3.08Å; L369-Q479 HydrophobicContact CD2-CG 3.44Å; L369-Q479 VanDerWaalsContact CD2-CG 3.44Å
370	F	88.3	Confident	88.3	Confident	7 Å²	7	49.7 Å²	49.7	3%	0.031	27%	0.268	C	S	.	.	S	Bend	trans	-108.1	-25.5	-178.4	-50.9	-46.1	0	0	0	113.7	R258 A364 E450 I453 L454 H476 Q479	R258-F370 VanDerWaalsContact CZ-C 3.46Å; R258-F370 PolarHBondContact NH1-O 3.47Å; R258-F370 PolarHBondContact NH2-O 3.1Å; A364-F370 HydrophobicContact CB-CD2 3.78Å; A364-F370 HydrophobicContact CB-CE2 3.34Å; A364-F370 HydrophobicContact CB-CZ 3.97Å; F370-E450 HydrophobicContact CB-CB 4.17Å; F370-E450 HydrophobicContact CB-CG 4.33Å; F370-E450 HydrophobicContact CD1-CB 3.91Å; F370-E450 HydrophobicContact CD1-CG 3.37Å; F370-E450 HydrophobicContact CD2-CB 3.87Å; F370-E450 HydrophobicContact CD2-CG 4.25Å; F370-E450 HydrophobicContact CE1-CB 4.28Å; F370-E450 HydrophobicContact CE1-CG 3.63Å; F370-E450 HydrophobicContact CE2-CB 4.23Å; F370-E450 HydrophobicContact CE2-CG 4.45Å; F370-E450 HydrophobicContact CG-CB 3.71Å; F370-E450 HydrophobicContact CG-CG 3.72Å; F370-E450 HydrophobicContact CZ-CB 4.43Å; F370-E450 HydrophobicContact CZ-CG 4.18Å; F370-I453 HydrophobicContact CE2-CB 3.73Å; F370-I453 HydrophobicContact CE2-CD1 3.98Å; F370-I453 HydrophobicContact CE2-CG1 4.43Å; F370-I453 HydrophobicContact CE2-CG2 3.65Å; F370-I453 HydrophobicContact CZ-CB 4.24Å; F370-I453 HydrophobicContact CZ-CD1 3.56Å; F370-I453 HydrophobicContact CZ-CG1 4.47Å; F370-I453 HydrophobicContact CZ-CG2 4.15Å; F370-L454 HydrophobicContact CD2-CD1 4.42Å; F370-L454 HydrophobicContact CD2-CD2 4Å; F370-L454 HydrophobicContact CD2-CG 3.98Å; F370-H476 AromaticContact CD1-NE2 3.98Å; F370-H476 HydrophobicContact CE1-CB 4.31Å; F370-H476 AromaticContact CE1-CD2 3.57Å; F370-H476 AromaticContact CE1-CE1 3.85Å; F370-H476 AromaticContact CE1-CG 3.74Å; F370-H476 AromaticContact CE1-ND1 3.96Å; F370-H476 AromaticContact CE1-NE2 3.63Å; F370-H476 HydrophobicContact CZ-CB 4.4Å; F370-Q479 HydrophobicContact CZ-CG 4.31Å
371	R	84.9	Confident	88.3	Confident	75 Å²	75	50 Å²	50	28%	0.283	27%	0.268	S	S	.	.	S	Bend	trans	-140.5	143.3	176.2	177.3	169.7	174.1	-149.6	-3.5	109.4	R258 E368 A412 L413	R258-R371 VanDerWaalsContact CZ-CA 3.43Å; R258-R371 VanDerWaalsContact NH2-N 3.18Å; E368-R371 CarbonylContact C-O 3.58Å; E368-R371 VanDerWaalsContact C-O 3.29Å; E368-R371 WeakPolarHBondContact CA-O 3.45Å; E368-R371 VanDerWaalsContact CB-O 3.29Å; E368-R371 WeakPolarHBondContact CB-O 3.41Å; R371-A412 WeakPolarHBondContact CD-O 3.25Å; R371-A412 PolarHBondContact NE-O 3.02Å; R371-L413 VanDerWaalsContact CZ-C 3.47Å; R371-L413 PolarHBondContact NH1-O 3.43Å; R371-L413 PolarHBondContact NH2-O 2.88Å
372	S	81.4	Confident	88.5	Confident	19 Å²	19	47.7 Å²	47.7	13%	0.133	26%	0.259	C	S	.	.			trans	-88.6	146.4	166.9	-75.5	0	0	0	0	110.6	R258 E368	R258-S372 WeakPolarHBondContact CD-OG 3.42Å; R258-S372 PolarHBondContact NE-OG 3.07Å; E368-S372 WeakPolarHBondContact OE2-CA 3.39Å; E368-S372 WeakPolarHBondContact OE2-CB 3.21Å; E368-S372 PolarHBondContact OE2-OG 2.83Å
373	E	82.7	Confident	88.8	Confident	144 Å²	144	51.5 Å²	51.5	67%	0.673	28%	0.277	S	S	*	.			trans	-59.7	143.4	166.2	-65	-165.8	172.5	0	0	109.1	E368	E368-E373 HydrophobicContact CG-CG 4.32Å; E368-E373 PolarHBondContact OE2-N 2.97Å
374	L	86.4	Confident	89.1	Confident	34 Å²	34	52.4 Å²	52.4	18%	0.178	29%	0.285	C	S	.	.			trans	-118.4	131.2	-176.4	-59.9	-177.3	0	0	0	108.2	K378 T379 L382 A412 L413	L374-K378 HydrophobicContact CD2-CD 3.72Å; L374-K378 HydrophobicContact CD2-CG 4.09Å; L374-T379 WeakPolarHBondContact CB-OG1 3.23Å; L374-L382 HydrophobicContact CD1-CD1 4.04Å; L374-L382 HydrophobicContact CD2-CD1 4.27Å; L374-A412 WeakPolarHBondContact CD1-O 3.45Å; L374-L413 HydrophobicContact CD1-CD2 4.23Å
375	S	90.1	Very high	89.5	Confident	32 Å²	32	52.6 Å²	52.6	22%	0.224	29%	0.286	C	S	.	.			trans	-59.8	165	164.4	67.9	0	0	0	0	111.1	E225 E377 K378 T379	E225-S375 WeakPolarHBondContact OE1-CB 3.4Å; E225-S375 PolarHBondContact OE1-OG 3.33Å; E225-S375 PolarHBondContact OE2-OG 3.01Å; S375-E377 VanDerWaalsContact C-N 3.27Å; S375-E377 PolarHBondContact O-N 2.98Å; S375-K378 PolarHBondContact O-N 3.2Å; S375-K378 WeakPolarHBondContact OG-CB 3.38Å; S375-K378 PolarHBondContact OG-N 3.38Å; S375-T379 VanDerWaalsContact O-CB 3.28Å; S375-T379 WeakPolarHBondContact O-CB 3.27Å; S375-T379 PolarHBondContact O-N 2.78Å; S375-T379 PolarHBondContact O-OG1 2.91Å
376	V	91.8	Very high	90.1	Very high	116 Å²	116	49.5 Å²	49.5	70%	0.703	27%	0.266	S	S	*	.	H	α-helix	trans	-61.7	-42.3	176.6	177.4	0	0	0	0	109.9	T379 S380	V376-T379 PolarHBondContact O-N 2.96Å; V376-S380 WeakPolarHBondContact O-CB 3.49Å; V376-S380 PolarHBondContact O-N 3.19Å
377	E	91.7	Very high	90.8	Very high	118 Å²	118	51.2 Å²	51.2	55%	0.551	27%	0.272	S	S	*	.	H	α-helix	trans	-62.1	-51.6	179.4	-65.7	71.4	-158.8	0	0	110.8	L229 S375 T379 S380 V381	L229-E377 HydrophobicContact CD1-CB 4.22Å; S375-E377 VanDerWaalsContact C-N 3.27Å; S375-E377 PolarHBondContact O-N 2.98Å; E377-T379 VanDerWaalsContact C-N 3.35Å; E377-T379 PolarHBondContact O-N 3.31Å; E377-S380 WeakPolarHBondContact O-CB 3.29Å; E377-S380 PolarHBondContact O-N 2.83Å; E377-V381 WeakPolarHBondContact O-CG2 3.47Å; E377-V381 PolarHBondContact O-N 3.19Å
378	K	91.1	Very high	91.5	Very high	12 Å²	12	51 Å²	51	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-38.4	179.3	-172.2	175.5	177.6	-176.5	0	112.1	E225 L229 L374 S375 V381 L382	E225-K378 WeakPolarHBondContact OE2-CD 3.44Å; L229-K378 HydrophobicContact CD2-CB 4.07Å; L229-K378 HydrophobicContact CD2-CG 4.15Å; L374-K378 HydrophobicContact CD2-CD 3.72Å; L374-K378 HydrophobicContact CD2-CG 4.09Å; S375-K378 PolarHBondContact O-N 3.2Å; S375-K378 WeakPolarHBondContact OG-CB 3.38Å; S375-K378 PolarHBondContact OG-N 3.38Å; K378-V381 PolarHBondContact O-N 2.6Å; K378-L382 HydrophobicContact CG-CD1 4.34Å; K378-L382 HydrophobicContact CG-CG 4.46Å; K378-L382 WeakPolarHBondContact O-CB 3.44Å; K378-L382 WeakPolarHBondContact O-CG 3.28Å; K378-L382 PolarHBondContact O-N 2.71Å
379	T	94.6	Very high	92	Very high	34 Å²	34	49.9 Å²	49.9	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-47.6	174.2	-61.3	0	0	0	0	110.9	L374 S375 V376 E377 V381 L382 Q383 L413	L374-T379 WeakPolarHBondContact CB-OG1 3.23Å; S375-T379 VanDerWaalsContact O-CB 3.28Å; S375-T379 WeakPolarHBondContact O-CB 3.27Å; S375-T379 PolarHBondContact O-N 2.78Å; S375-T379 PolarHBondContact O-OG1 2.91Å; V376-T379 PolarHBondContact O-N 2.96Å; E377-T379 VanDerWaalsContact C-N 3.35Å; E377-T379 PolarHBondContact O-N 3.31Å; T379-V381 PolarHBondContact O-N 3.28Å; T379-L382 PolarHBondContact O-N 3.19Å; T379-Q383 HydrophobicContact CG2-CG 4.45Å; T379-Q383 WeakPolarHBondContact O-CB 3.36Å; T379-Q383 VanDerWaalsContact O-CG 3.31Å; T379-Q383 WeakPolarHBondContact O-CG 3.32Å; T379-Q383 PolarHBondContact O-N 3.43Å; T379-L413 HydrophobicContact CG2-CD2 4.26Å
380	S	95.8	Very high	92.5	Very high	73 Å²	73	51.1 Å²	51.1	51%	0.51	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-46.4	178.3	-176.1	0	0	0	0	111.9	V376 E377 Q383 S384	V376-S380 WeakPolarHBondContact O-CB 3.49Å; V376-S380 PolarHBondContact O-N 3.19Å; E377-S380 WeakPolarHBondContact O-CB 3.29Å; E377-S380 PolarHBondContact O-N 2.83Å; S380-Q383 PolarHBondContact O-N 3.5Å; S380-S384 PolarHBondContact O-N 3.06Å
381	V	95.8	Very high	92.8	Very high	45 Å²	45	56.4 Å²	56.4	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-50	177	171.3	0	0	0	0	111	L229 Y232 E377 K378 T379 Q383 S384 E385	L229-V381 HydrophobicContact CD2-CB 4.26Å; L229-V381 HydrophobicContact CD2-CG1 4.45Å; L229-V381 HydrophobicContact CD2-CG2 4.15Å; Y232-V381 HydrophobicContact CD2-CG1 4.2Å; E377-V381 WeakPolarHBondContact O-CG2 3.47Å; E377-V381 PolarHBondContact O-N 3.19Å; K378-V381 PolarHBondContact O-N 2.6Å; T379-V381 PolarHBondContact O-N 3.28Å; V381-Q383 VanDerWaalsContact C-N 3.31Å; V381-Q383 PolarHBondContact O-N 3.47Å; V381-S384 WeakPolarHBondContact O-CB 3.21Å; V381-S384 PolarHBondContact O-N 3.19Å; V381-S384 VanDerWaalsContact O-N 3.15Å; V381-E385 HydrophobicContact CG1-CG 4.35Å; V381-E385 VanDerWaalsContact O-CG 3.3Å; V381-E385 WeakPolarHBondContact O-CG 3.38Å; V381-E385 PolarHBondContact O-N 3.06Å
382	L	95.9	Very high	93.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-31.8	-179.1	-66.5	-174.6	0	0	0	113	Y232 L256 L374 K378 T379 L386 L409 A412 L413	Y232-L382 HydrophobicContact CD2-CD2 4.36Å; Y232-L382 HydrophobicContact CE1-CD2 4.18Å; Y232-L382 HydrophobicContact CE2-CD2 3.95Å; L256-L382 HydrophobicContact CD2-CD1 4.32Å; L256-L382 HydrophobicContact CD2-CD2 3.75Å; L374-L382 HydrophobicContact CD1-CD1 4.04Å; L374-L382 HydrophobicContact CD2-CD1 4.27Å; K378-L382 HydrophobicContact CG-CD1 4.34Å; K378-L382 HydrophobicContact CG-CG 4.46Å; K378-L382 WeakPolarHBondContact O-CB 3.44Å; K378-L382 WeakPolarHBondContact O-CG 3.28Å; K378-L382 PolarHBondContact O-N 2.71Å; T379-L382 PolarHBondContact O-N 3.19Å; L382-L386 WeakPolarHBondContact O-CB 3.41Å; L382-L386 PolarHBondContact O-N 2.85Å; L382-L409 HydrophobicContact CB-CD2 4.21Å; L382-L409 HydrophobicContact CD2-CD2 3.83Å; L382-A412 HydrophobicContact CD1-CB 4.21Å; L382-L413 HydrophobicContact CB-CD1 4.45Å; L382-L413 HydrophobicContact CB-CD2 3.7Å; L382-L413 HydrophobicContact CB-CG 4.08Å
383	Q	97.1	Very high	93.9	Very high	92 Å²	92	54.2 Å²	54.2	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-66.8	-43	171.9	-75.6	177.9	-4.3	0	0	111.6	T379 S380 V381 E385 L386 Q387 L413	T379-Q383 HydrophobicContact CG2-CG 4.45Å; T379-Q383 WeakPolarHBondContact O-CB 3.36Å; T379-Q383 VanDerWaalsContact O-CG 3.31Å; T379-Q383 WeakPolarHBondContact O-CG 3.32Å; T379-Q383 PolarHBondContact O-N 3.43Å; S380-Q383 PolarHBondContact O-N 3.5Å; V381-Q383 VanDerWaalsContact C-N 3.31Å; V381-Q383 PolarHBondContact O-N 3.47Å; Q383-E385 VanDerWaalsContact C-N 3.35Å; Q383-L386 PolarHBondContact O-N 3.28Å; Q383-Q387 WeakPolarHBondContact O-CG 3.4Å; Q383-Q387 PolarHBondContact O-N 3.25Å; Q383-L413 HydrophobicContact CG-CD1 4.04Å; Q383-L413 HydrophobicContact CG-CD2 3.72Å
384	S	96.3	Very high	94.5	Very high	57 Å²	57	54.8 Å²	54.8	40%	0.399	29%	0.293	S	S	.	.	H	α-helix	trans	-59.5	-46.6	173.7	-174.5	0	0	0	0	110.8	S380 V381 L386 Q387 S388	S380-S384 PolarHBondContact O-N 3.06Å; V381-S384 WeakPolarHBondContact O-CB 3.21Å; V381-S384 PolarHBondContact O-N 3.19Å; V381-S384 VanDerWaalsContact O-N 3.15Å; S384-L386 PolarHBondContact O-N 2.95Å; S384-Q387 WeakPolarHBondContact O-CB 3.28Å; S384-Q387 PolarHBondContact O-N 2.97Å; S384-S388 PolarHBondContact O-N 3.33Å; S384-S388 PolarHBondContact O-OG 2.99Å; S384-S388 VanDerWaalsContact O-OG 3.08Å
385	E	96.6	Very high	95	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.019	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-45.3	175.1	-70.1	-71.2	173.2	0	0	112.1	Q236 Y252 V381 Q383 Q387 S388 V389 L409	Q236-E385 WeakPolarHBondContact CB-OE1 3.22Å; Q236-E385 VanDerWaalsContact CD-CD 3.49Å; Q236-E385 VanDerWaalsContact CD-OE2 3.31Å; Q236-E385 WeakPolarHBondContact CG-OE2 3.39Å; Q236-E385 PolarHBondContact NE2-OE1 2.9Å; Q236-E385 PolarHBondContact NE2-OE2 3.07Å; Y252-E385 VanDerWaalsContact OH-CB 3.31Å; Y252-E385 WeakPolarHBondContact OH-CB 3.46Å; Y252-E385 VanDerWaalsContact OH-CG 3.26Å; Y252-E385 WeakPolarHBondContact OH-CG 3.4Å; V381-E385 HydrophobicContact CG1-CG 4.35Å; V381-E385 VanDerWaalsContact O-CG 3.3Å; V381-E385 WeakPolarHBondContact O-CG 3.38Å; V381-E385 PolarHBondContact O-N 3.06Å; Q383-E385 VanDerWaalsContact C-N 3.35Å; E385-Q387 VanDerWaalsContact C-N 3.31Å; E385-Q387 PolarHBondContact O-N 3.04Å; E385-S388 PolarHBondContact O-N 3.15Å; E385-V389 VanDerWaalsContact O-CG2 3.29Å; E385-V389 WeakPolarHBondContact O-CG2 3.01Å; E385-V389 PolarHBondContact O-N 3.46Å; E385-L409 HydrophobicContact CB-CD1 4.07Å; E385-L409 HydrophobicContact CB-CD2 4.23Å
386	L	97.5	Very high	95.2	Very high	10 Å²	10	61.1 Å²	61.1	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-43.2	177.3	178	59.7	0	0	0	111.2	L382 Q383 S384 N390 I406 L409 M410 L413 Y418	L382-L386 WeakPolarHBondContact O-CB 3.41Å; L382-L386 PolarHBondContact O-N 2.85Å; Q383-L386 PolarHBondContact O-N 3.28Å; S384-L386 PolarHBondContact O-N 2.95Å; L386-N390 WeakPolarHBondContact O-CB 3.48Å; L386-N390 VanDerWaalsContact O-CG 3.28Å; L386-N390 PolarHBondContact O-N 3.09Å; L386-N390 PolarHBondContact O-ND2 2.79Å; L386-I406 HydrophobicContact CD1-CB 4.3Å; L386-I406 HydrophobicContact CD1-CG1 4.3Å; L386-I406 HydrophobicContact CD1-CG2 3.89Å; L386-L409 HydrophobicContact CB-CB 4.25Å; L386-L409 HydrophobicContact CB-CD1 4.26Å; L386-L409 HydrophobicContact CD1-CB 4.04Å; L386-M410 HydrophobicContact CD1-CG 4.11Å; L386-M410 HydrophobicContact CD2-CG 4.01Å; L386-L413 HydrophobicContact CB-CD1 4.14Å; L386-L413 HydrophobicContact CD2-CD1 3.74Å; L386-Y418 HydrophobicContact CD2-CE2 4.45Å
387	Q	96.6	Very high	95.3	Very high	127 Å²	127	59.3 Å²	59.3	59%	0.593	31%	0.312	S	S	*	.	H	α-helix	trans	-62.7	-46.7	176.2	-70.2	175.3	4.5	0	0	111.7	Q383 S384 E385 N390 Q391	Q383-Q387 WeakPolarHBondContact O-CG 3.4Å; Q383-Q387 PolarHBondContact O-N 3.25Å; S384-Q387 WeakPolarHBondContact O-CB 3.28Å; S384-Q387 PolarHBondContact O-N 2.97Å; E385-Q387 VanDerWaalsContact C-N 3.31Å; E385-Q387 PolarHBondContact O-N 3.04Å; Q387-N390 PolarHBondContact O-N 2.58Å; Q387-Q391 WeakPolarHBondContact O-CG 3.39Å; Q387-Q391 PolarHBondContact O-N 3.39Å
388	S	95.1	Very high	95.4	Very high	26 Å²	26	60.3 Å²	60.3	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-47	179.3	-58.1	0	0	0	0	111.4	F240 S384 E385 N390 Q391 L392	F240-S388 VanDerWaalsContact CZ-C 3.47Å; F240-S388 VanDerWaalsContact CZ-CB 3.43Å; F240-S388 WeakPolarHBondContact CZ-O 3.48Å; S384-S388 PolarHBondContact O-N 3.33Å; S384-S388 PolarHBondContact O-OG 2.99Å; S384-S388 VanDerWaalsContact O-OG 3.08Å; E385-S388 PolarHBondContact O-N 3.15Å; S388-N390 VanDerWaalsContact C-N 3.3Å; S388-N390 PolarHBondContact O-N 3.34Å; S388-Q391 WeakPolarHBondContact O-CB 3.49Å; S388-Q391 PolarHBondContact O-N 3.48Å; S388-Q391 VanDerWaalsContact O-N 3.15Å; S388-L392 PolarHBondContact O-N 2.74Å
389	V	96.3	Very high	95.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-31.4	-178.9	-176.7	0	0	0	0	111.3	F239 W249 E385 L392 Q393 C402 I406 L409	F239-V389 HydrophobicContact CE2-CG2 4.01Å; F239-V389 HydrophobicContact CZ-CG2 4.29Å; W249-V389 HydrophobicContact CH2-CG1 4.25Å; W249-V389 HydrophobicContact CH2-CG2 4.49Å; W249-V389 HydrophobicContact CZ3-CG1 4.38Å; W249-V389 HydrophobicContact CZ3-CG2 4.38Å; E385-V389 VanDerWaalsContact O-CG2 3.29Å; E385-V389 WeakPolarHBondContact O-CG2 3.01Å; E385-V389 PolarHBondContact O-N 3.46Å; V389-L392 PolarHBondContact O-N 3.29Å; V389-Q393 PolarHBondContact O-N 3.26Å; V389-C402 HydrophobicContact CG1-CB 3.96Å; V389-I406 HydrophobicContact CB-CG1 4.13Å; V389-I406 HydrophobicContact CG1-CD1 4.03Å; V389-I406 HydrophobicContact CG1-CG1 3.66Å; V389-L409 HydrophobicContact CG2-CD1 4.35Å
390	N	96	Very high	95.8	Very high	48 Å²	48	61 Å²	61	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-44.4	169.9	-79	-48.5	0	0	0	111.8	L386 Q387 S388 L392 Q393 E394 I406	L386-N390 WeakPolarHBondContact O-CB 3.48Å; L386-N390 VanDerWaalsContact O-CG 3.28Å; L386-N390 PolarHBondContact O-N 3.09Å; L386-N390 PolarHBondContact O-ND2 2.79Å; Q387-N390 PolarHBondContact O-N 2.58Å; S388-N390 VanDerWaalsContact C-N 3.3Å; S388-N390 PolarHBondContact O-N 3.34Å; N390-L392 VanDerWaalsContact C-N 3.26Å; N390-L392 PolarHBondContact O-N 3.2Å; N390-Q393 WeakPolarHBondContact O-CB 3.42Å; N390-Q393 PolarHBondContact O-N 3.09Å; N390-Q393 VanDerWaalsContact O-N 3.13Å; N390-E394 PolarHBondContact O-N 3.07Å; N390-I406 WeakPolarHBondContact OD1-CD1 3.19Å
391	Q	95.4	Very high	95.8	Very high	118 Å²	118	59 Å²	59	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-60.3	-39	174.1	-67.8	170.8	-3.5	0	0	111.4	Q387 S388 E394 L395	Q387-Q391 WeakPolarHBondContact O-CG 3.39Å; Q387-Q391 PolarHBondContact O-N 3.39Å; S388-Q391 WeakPolarHBondContact O-CB 3.49Å; S388-Q391 PolarHBondContact O-N 3.48Å; S388-Q391 VanDerWaalsContact O-N 3.15Å; Q391-E394 WeakPolarHBondContact O-CB 3.39Å; Q391-E394 PolarHBondContact O-N 2.85Å; Q391-L395 WeakPolarHBondContact O-CG 3.4Å; Q391-L395 PolarHBondContact O-N 3.26Å
392	L	94.6	Very high	95.9	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-37.5	175.5	-170.5	57.2	0	0	0	112.3	F240 P243 W249 S388 V389 N390 E394 L395 E396 C402	F240-L392 HydrophobicContact CD1-CD1 4.34Å; F240-L392 HydrophobicContact CD1-CD2 4.07Å; F240-L392 HydrophobicContact CE1-CB 3.77Å; F240-L392 HydrophobicContact CE1-CD1 4.34Å; F240-L392 HydrophobicContact CE1-CD2 3.95Å; F240-L392 HydrophobicContact CE1-CG 4.24Å; F240-L392 HydrophobicContact CZ-CB 4.23Å; F240-L392 HydrophobicContact CZ-CD2 4.33Å; P243-L392 HydrophobicContact CB-CD1 4.45Å; P243-L392 HydrophobicContact CB-CD2 4.15Å; P243-L392 HydrophobicContact CG-CD1 3.82Å; P243-L392 HydrophobicContact CG-CD2 4.06Å; P243-L392 HydrophobicContact CG-CG 4.41Å; W249-L392 HydrophobicContact CH2-CD2 4.11Å; W249-L392 HydrophobicContact CZ2-CD2 4.11Å; S388-L392 PolarHBondContact O-N 2.74Å; V389-L392 PolarHBondContact O-N 3.29Å; N390-L392 VanDerWaalsContact C-N 3.26Å; N390-L392 PolarHBondContact O-N 3.2Å; L392-E394 VanDerWaalsContact C-N 3.31Å; L392-E394 PolarHBondContact O-N 2.56Å; L392-L395 PolarHBondContact O-N 3.09Å; L392-E396 PolarHBondContact O-N 3.4Å; L392-C402 VanDerWaalsContact CD2-SG 3.59Å
393	Q	95.6	Very high	96	Very high	37 Å²	37	56.9 Å²	56.9	17%	0.173	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-35.5	174	-176.6	-155.8	11.4	0	0	111.7	V389 N390 L395 E396 P397 C402 L403 I406	V389-Q393 PolarHBondContact O-N 3.26Å; N390-Q393 WeakPolarHBondContact O-CB 3.42Å; N390-Q393 PolarHBondContact O-N 3.09Å; N390-Q393 VanDerWaalsContact O-N 3.13Å; Q393-L395 VanDerWaalsContact C-N 3.3Å; Q393-L395 PolarHBondContact O-N 2.94Å; Q393-E396 CarbonylContact O-C 3.32Å; Q393-E396 PolarHBondContact O-N 3.06Å; Q393-P397 WeakPolarHBondContact O-CA 3.33Å; Q393-C402 HydrophobicContact CB-CB 4.43Å; Q393-L403 HydrophobicContact CG-CD2 4.21Å; Q393-I406 HydrophobicContact CB-CD1 3.85Å; Q393-I406 HydrophobicContact CG-CD1 4.16Å
394	E	95.4	Very high	96	Very high	157 Å²	157	53 Å²	53	73%	0.734	27%	0.272	S	S	*	.	H	α-helix	trans	-63.4	-37.9	174	-68.7	177.3	-178.5	0	0	111.9	N390 Q391 L392	N390-E394 PolarHBondContact O-N 3.07Å; Q391-E394 WeakPolarHBondContact O-CB 3.39Å; Q391-E394 PolarHBondContact O-N 2.85Å; L392-E394 VanDerWaalsContact C-N 3.31Å; L392-E394 PolarHBondContact O-N 2.56Å
395	L	95.1	Very high	96.1	Very high	141 Å²	141	50.5 Å²	50.5	74%	0.738	25%	0.254	S	S	*	.	H	α-helix	trans	-74.5	-38.5	176.2	-62.9	174.7	0	0	0	112.3	Q391 L392 Q393 P397	Q391-L395 WeakPolarHBondContact O-CG 3.4Å; Q391-L395 PolarHBondContact O-N 3.26Å; L392-L395 PolarHBondContact O-N 3.09Å; Q393-L395 VanDerWaalsContact C-N 3.3Å; Q393-L395 PolarHBondContact O-N 2.94Å; L395-P397 WeakPolarHBondContact O-CD 3.4Å
396	E	94.7	Very high	96.2	Very high	58 Å²	58	50.3 Å²	50.3	27%	0.271	25%	0.253	S	S	.	.			trans	-125.3	74.1	-178.5	-61.3	-165.5	-177	0	0	112	P243 L392 Q393 L398 N399	P243-E396 VanDerWaalsContact CB-OE2 3.26Å; P243-E396 WeakPolarHBondContact CB-OE2 3.07Å; P243-E396 WeakPolarHBondContact CG-OE1 3.11Å; L392-E396 PolarHBondContact O-N 3.4Å; Q393-E396 CarbonylContact O-C 3.32Å; Q393-E396 PolarHBondContact O-N 3.06Å; E396-L398 PolarHBondContact O-N 2.92Å; E396-N399 HydrophobicContact CB-CB 3.84Å; E396-N399 WeakPolarHBondContact O-CB 3.48Å; E396-N399 PolarHBondContact O-N 3.4Å; E396-N399 PolarHBondContact OE2-ND2 3.03Å
397	P	94.3	Very high	96.2	Very high	77 Å²	77	49.9 Å²	49.9	50%	0.5	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.2	-172.2	23.9	-34.8	0	0	0	114.1	Q393 L395	Q393-P397 WeakPolarHBondContact O-CA 3.33Å; L395-P397 WeakPolarHBondContact O-CD 3.4Å
398	L	94.9	Very high	96.3	Very high	139 Å²	139	44.9 Å²	44.9	73%	0.728	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	7	178.3	-55.1	-178.6	0	0	0	112.7	E396 K400 V432	E396-L398 PolarHBondContact O-N 2.92Å; L398-K400 PolarHBondContact O-N 3.43Å; L398-K400 VanDerWaalsContact O-N 3.1Å; L398-V432 HydrophobicContact CB-CG1 4.41Å; L398-V432 HydrophobicContact CD2-CG2 3.94Å; L398-V432 WeakPolarHBondContact O-CG1 3.38Å
399	N	96.3	Very high	96.4	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.048	22%	0.219	C	C	.	.			trans	-78.3	99.2	177.2	-166.3	-39.6	0	0	0	110.6	P243 E396 W401 C402 L403	P243-N399 WeakPolarHBondContact CB-ND2 3.15Å; P243-N399 PolarHBondContact O-ND2 3.19Å; E396-N399 HydrophobicContact CB-CB 3.84Å; E396-N399 WeakPolarHBondContact O-CB 3.48Å; E396-N399 PolarHBondContact O-N 3.4Å; E396-N399 PolarHBondContact OE2-ND2 3.03Å; N399-W401 PolarHBondContact O-N 2.98Å; N399-W401 WeakPolarHBondContact OD1-CB 3.26Å; N399-W401 PolarHBondContact OD1-N 3.15Å; N399-C402 HydrophobicContact CB-CB 4.16Å; N399-C402 VanDerWaalsContact CG-SG 3.5Å; N399-C402 PolarHBondContact O-N 3.02Å; N399-C402 PolarHBondContact OD1-N 3.3Å; N399-L403 PolarHBondContact O-N 3.41Å
400	K	96.7	Very high	96.5	Very high	51 Å²	51	43.9 Å²	43.9	22%	0.222	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-27.2	177.9	67.6	-175.3	-179.8	-171.6	0	113.9	L398 L404 L429 V432 D433	L398-K400 PolarHBondContact O-N 3.43Å; L398-K400 VanDerWaalsContact O-N 3.1Å; K400-L404 WeakPolarHBondContact O-CB 3.24Å; K400-L404 PolarHBondContact O-N 3.35Å; K400-L429 HydrophobicContact CB-CD1 3.79Å; K400-L429 WeakPolarHBondContact O-CD1 3.42Å; K400-V432 HydrophobicContact CB-CG1 4.17Å; K400-D433 HydrophobicContact CB-CB 4.17Å; K400-D433 HydrophobicContact CD-CB 4.21Å
401	W	96.7	Very high	96.5	Very high	33 Å²	33	42.4 Å²	42.4	13%	0.125	21%	0.211	C	C	.	.	H	α-helix	trans	-77.7	-40.2	-178.7	-52.9	115.7	0	0	0	111.3	Q246 W249 F250 N399 L404 T405	Q246-W401 HydrophobicContact CB-CD2 4.43Å; Q246-W401 HydrophobicContact CB-CH2 3.9Å; Q246-W401 HydrophobicContact CB-CZ2 3.35Å; Q246-W401 HydrophobicContact CG-CZ2 4.45Å; W249-W401 HydrophobicContact CB-CB 4.15Å; W249-W401 HydrophobicContact CB-CE3 4.36Å; W249-W401 HydrophobicContact CB-CG 4.45Å; W249-W401 AromaticContact CD1-CD1 3.83Å; W249-W401 AromaticContact CD1-CG 3.54Å; W249-W401 HydrophobicContact CD2-CB 3.7Å; W249-W401 HydrophobicContact CG-CB 3.5Å; W249-W401 HydrophobicContact CG-CG 4.01Å; W249-W401 HydrophobicContact CZ2-CB 4.45Å; W249-W401 AromaticContact NE1-CG 3.95Å; F250-W401 HydrophobicContact CD2-CH2 4.4Å; F250-W401 HydrophobicContact CD2-CZ3 4.37Å; F250-W401 AromaticContact CE2-CH2 3.44Å; F250-W401 HydrophobicContact CE2-CH2 3.44Å; F250-W401 VanDerWaalsContact CE2-CH2 3.44Å; F250-W401 HydrophobicContact CE2-CZ2 4.39Å; F250-W401 AromaticContact CE2-CZ3 3.64Å; F250-W401 HydrophobicContact CE2-CZ3 3.64Å; F250-W401 AromaticContact CZ-CH2 3.73Å; F250-W401 HydrophobicContact CZ-CH2 3.73Å; F250-W401 AromaticContact CZ-CZ3 3.72Å; F250-W401 HydrophobicContact CZ-CZ3 3.72Å; N399-W401 PolarHBondContact O-N 2.98Å; N399-W401 WeakPolarHBondContact OD1-CB 3.26Å; N399-W401 PolarHBondContact OD1-N 3.15Å; W401-L404 PolarHBondContact O-N 2.97Å; W401-T405 VanDerWaalsContact O-CB 3.29Å; W401-T405 WeakPolarHBondContact O-CB 3.32Å; W401-T405 PolarHBondContact O-N 3.06Å; W401-T405 PolarHBondContact O-OG1 3.3Å
402	C	96.4	Very high	96.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-52.4	170.6	-61.8	0	0	0	0	110.5	V389 L392 Q393 N399 L404 T405 I406	V389-C402 HydrophobicContact CG1-CB 3.96Å; L392-C402 VanDerWaalsContact CD2-SG 3.59Å; Q393-C402 HydrophobicContact CB-CB 4.43Å; N399-C402 HydrophobicContact CB-CB 4.16Å; N399-C402 VanDerWaalsContact CG-SG 3.5Å; N399-C402 PolarHBondContact O-N 3.02Å; N399-C402 PolarHBondContact OD1-N 3.3Å; C402-L404 PolarHBondContact O-N 2.92Å; C402-T405 PolarHBondContact O-N 3.44Å; C402-T405 VanDerWaalsContact O-N 3.09Å; C402-I406 WeakPolarHBondContact O-CG1 3.39Å; C402-I406 PolarHBondContact O-N 3.46Å
403	L	97.8	Very high	96.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.7	-48.4	178.3	-74.9	169	0	0	0	112.6	Q393 N399 T405 I407 T428 L429 V432	Q393-L403 HydrophobicContact CG-CD2 4.21Å; N399-L403 PolarHBondContact O-N 3.41Å; L403-T405 VanDerWaalsContact C-N 3.34Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3Å; L403-T428 HydrophobicContact CD1-CG2 4.09Å; L403-T428 HydrophobicContact CD2-CG2 4.03Å; L403-L429 HydrophobicContact CB-CB 4.32Å; L403-L429 HydrophobicContact CB-CD1 3.94Å; L403-L429 HydrophobicContact CD1-CB 4.45Å; L403-L429 HydrophobicContact CD1-CD1 4.26Å; L403-V432 HydrophobicContact CD1-CB 4.15Å; L403-V432 HydrophobicContact CD1-CG1 4.29Å; L403-V432 HydrophobicContact CD1-CG2 3.92Å
404	L	98	Very high	96.4	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.063	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-38	178	-178.6	59.8	0	0	0	111.8	K400 W401 C402 I407 L408 L429 Y440 L443	K400-L404 WeakPolarHBondContact O-CB 3.24Å; K400-L404 PolarHBondContact O-N 3.35Å; W401-L404 PolarHBondContact O-N 2.97Å; C402-L404 PolarHBondContact O-N 2.92Å; L404-I407 WeakPolarHBondContact O-CB 3.46Å; L404-I407 PolarHBondContact O-N 3.43Å; L404-L408 HydrophobicContact CD1-CG 4.49Å; L404-L408 HydrophobicContact CG-CD1 4.15Å; L404-L408 VanDerWaalsContact O-CG 3.25Å; L404-L408 WeakPolarHBondContact O-CG 3.42Å; L404-L408 PolarHBondContact O-N 3.15Å; L404-L429 HydrophobicContact CB-CD2 3.99Å; L404-L429 HydrophobicContact CD1-CD2 4.08Å; L404-Y440 HydrophobicContact CD1-CE1 4.5Å; L404-L443 HydrophobicContact CD1-CD2 4.07Å
405	T	97.9	Very high	96.4	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-70.7	-38.3	-179	-58.4	0	0	0	0	111.8	W249 Y252 W401 C402 L403 I407 L408 L409	W249-T405 HydrophobicContact CE3-CG2 4.15Å; W249-T405 HydrophobicContact CZ3-CG2 3.91Å; Y252-T405 HydrophobicContact CD1-CG2 3.57Å; Y252-T405 HydrophobicContact CE1-CG2 3.58Å; W401-T405 VanDerWaalsContact O-CB 3.29Å; W401-T405 WeakPolarHBondContact O-CB 3.32Å; W401-T405 PolarHBondContact O-N 3.06Å; W401-T405 PolarHBondContact O-OG1 3.3Å; C402-T405 PolarHBondContact O-N 3.44Å; C402-T405 VanDerWaalsContact O-N 3.09Å; L403-T405 VanDerWaalsContact C-N 3.34Å; T405-I407 VanDerWaalsContact C-N 3.32Å; T405-I407 PolarHBondContact O-N 3.15Å; T405-L408 PolarHBondContact O-N 2.88Å; T405-L408 VanDerWaalsContact O-N 3.12Å; T405-L409 HydrophobicContact CG2-CD1 3.96Å; T405-L409 HydrophobicContact CG2-CG 4.36Å; T405-L409 WeakPolarHBondContact O-CB 3.28Å; T405-L409 WeakPolarHBondContact O-CG 3.35Å; T405-L409 PolarHBondContact O-N 2.97Å
406	I	98.3	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.1	-47.7	171	-72.7	159.2	0	0	0	110.5	L386 V389 N390 Q393 C402 L408 L409 M410	L386-I406 HydrophobicContact CD1-CB 4.3Å; L386-I406 HydrophobicContact CD1-CG1 4.3Å; L386-I406 HydrophobicContact CD1-CG2 3.89Å; V389-I406 HydrophobicContact CB-CG1 4.13Å; V389-I406 HydrophobicContact CG1-CD1 4.03Å; V389-I406 HydrophobicContact CG1-CG1 3.66Å; N390-I406 WeakPolarHBondContact OD1-CD1 3.19Å; Q393-I406 HydrophobicContact CB-CD1 3.85Å; Q393-I406 HydrophobicContact CG-CD1 4.16Å; C402-I406 WeakPolarHBondContact O-CG1 3.39Å; C402-I406 PolarHBondContact O-N 3.46Å; I406-L408 VanDerWaalsContact C-N 3.32Å; I406-L408 PolarHBondContact O-N 3.1Å; I406-L409 PolarHBondContact O-N 3.14Å; I406-M410 HydrophobicContact CG2-CE 3.71Å; I406-M410 HydrophobicContact CG2-SD 4.29Å; I406-M410 WeakPolarHBondContact O-CB 3.44Å; I406-M410 WeakPolarHBondContact O-CG 2.98Å; I406-M410 PolarHBondContact O-N 3.42Å
407	I	98.5	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-45.2	175.2	-72	166.1	0	0	0	111.5	L403 L404 T405 M410 R411 T422 H425 F426 L429 F447	L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3Å; L404-I407 WeakPolarHBondContact O-CB 3.46Å; L404-I407 PolarHBondContact O-N 3.43Å; T405-I407 VanDerWaalsContact C-N 3.32Å; T405-I407 PolarHBondContact O-N 3.15Å; I407-M410 HydrophobicContact CG1-CE 4.36Å; I407-R411 WeakPolarHBondContact O-CB 3.26Å; I407-R411 PolarHBondContact O-N 3.28Å; I407-T422 HydrophobicContact CG2-CG2 4.17Å; I407-H425 HydrophobicContact CD1-CB 3.79Å; I407-H425 HydrophobicContact CG1-CB 3.53Å; I407-F426 HydrophobicContact CD1-CD1 3.88Å; I407-F426 HydrophobicContact CD1-CD2 4.26Å; I407-F426 HydrophobicContact CD1-CE1 4.06Å; I407-F426 HydrophobicContact CD1-CE2 4.42Å; I407-F426 HydrophobicContact CD1-CG 3.97Å; I407-F426 HydrophobicContact CD1-CZ 4.33Å; I407-F426 HydrophobicContact CG2-CE1 4.3Å; I407-F426 HydrophobicContact CG2-CE2 3.79Å; I407-F426 HydrophobicContact CG2-CZ 3.65Å; I407-L429 HydrophobicContact CD1-CD2 3.92Å; I407-F447 HydrophobicContact CG2-CD2 4.23Å; I407-F447 HydrophobicContact CG2-CE2 3.6Å
408	L	97.6	Very high	96.7	Very high	22 Å²	22	27.9 Å²	27.9	12%	0.115	15%	0.15	C	C	.	.	H	α-helix	trans	-70.2	-34.1	-179.1	-66.2	170.5	0	0	0	112.7	R253 L256 L404 T405 I406 R411 A412 F447	R253-L408 HydrophobicContact CB-CD1 4.19Å; R253-L408 HydrophobicContact CG-CD1 3.77Å; L256-L408 HydrophobicContact CD1-CB 3.83Å; L404-L408 HydrophobicContact CD1-CG 4.49Å; L404-L408 HydrophobicContact CG-CD1 4.15Å; L404-L408 VanDerWaalsContact O-CG 3.25Å; L404-L408 WeakPolarHBondContact O-CG 3.42Å; L404-L408 PolarHBondContact O-N 3.15Å; T405-L408 PolarHBondContact O-N 2.88Å; T405-L408 VanDerWaalsContact O-N 3.12Å; I406-L408 VanDerWaalsContact C-N 3.32Å; I406-L408 PolarHBondContact O-N 3.1Å; L408-R411 WeakPolarHBondContact O-CB 3.31Å; L408-R411 PolarHBondContact O-N 3.19Å; L408-A412 WeakPolarHBondContact O-CB 3.4Å; L408-A412 PolarHBondContact O-N 2.81Å; L408-F447 HydrophobicContact CD2-CZ 4.15Å
409	L	97.5	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-69.6	-47.3	175.3	-79.6	167.7	0	0	0	111.6	Y252 L256 L382 E385 L386 V389 T405 I406 R411 A412 L413	Y252-L409 HydrophobicContact CE1-CD1 4.3Å; Y252-L409 HydrophobicContact CE1-CD2 4.11Å; Y252-L409 HydrophobicContact CE1-CG 4.19Å; Y252-L409 WeakPolarHBondContact OH-CD2 3.41Å; L256-L409 HydrophobicContact CD1-CD2 4.39Å; L256-L409 HydrophobicContact CD1-CG 4.45Å; L256-L409 HydrophobicContact CD2-CD2 4.12Å; L382-L409 HydrophobicContact CB-CD2 4.21Å; L382-L409 HydrophobicContact CD2-CD2 3.83Å; E385-L409 HydrophobicContact CB-CD1 4.07Å; E385-L409 HydrophobicContact CB-CD2 4.23Å; L386-L409 HydrophobicContact CB-CB 4.25Å; L386-L409 HydrophobicContact CB-CD1 4.26Å; L386-L409 HydrophobicContact CD1-CB 4.04Å; V389-L409 HydrophobicContact CG2-CD1 4.35Å; T405-L409 HydrophobicContact CG2-CD1 3.96Å; T405-L409 HydrophobicContact CG2-CG 4.36Å; T405-L409 WeakPolarHBondContact O-CB 3.28Å; T405-L409 WeakPolarHBondContact O-CG 3.35Å; T405-L409 PolarHBondContact O-N 2.97Å; I406-L409 PolarHBondContact O-N 3.14Å; L409-R411 PolarHBondContact O-N 3.43Å; L409-A412 PolarHBondContact O-N 3.18Å; L409-L413 WeakPolarHBondContact O-CB 3.21Å; L409-L413 WeakPolarHBondContact O-CG 3.3Å; L409-L413 PolarHBondContact O-N 3.31Å
410	M	97.9	Very high	96.8	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-55.8	-41.9	172	-74.5	-172.8	-58.4	0	0	111.2	L386 I406 I407 A412 L413 D414 Y418 E421	L386-M410 HydrophobicContact CD1-CG 4.11Å; L386-M410 HydrophobicContact CD2-CG 4.01Å; I406-M410 HydrophobicContact CG2-CE 3.71Å; I406-M410 HydrophobicContact CG2-SD 4.29Å; I406-M410 WeakPolarHBondContact O-CB 3.44Å; I406-M410 WeakPolarHBondContact O-CG 2.98Å; I406-M410 PolarHBondContact O-N 3.42Å; I407-M410 HydrophobicContact CG1-CE 4.36Å; M410-A412 PolarHBondContact O-N 3.48Å; M410-L413 PolarHBondContact O-N 2.92Å; M410-D414 CarbonylContact O-C 3.3Å; M410-D414 VanDerWaalsContact O-C 3.3Å; M410-D414 PolarHBondContact O-N 3.47Å; M410-Y418 HydrophobicContact CB-CD2 3.91Å; M410-Y418 HydrophobicContact CB-CG 3.82Å; M410-Y418 HydrophobicContact CG-CD1 3.92Å; M410-Y418 HydrophobicContact CG-CD2 3.98Å; M410-Y418 HydrophobicContact CG-CE1 4.45Å; M410-Y418 HydrophobicContact CG-CG 3.67Å; M410-Y418 HydrophobicContact SD-CD1 3.86Å; M410-Y418 HydrophobicContact SD-CG 3.98Å; M410-E421 HydrophobicContact CE-CB 4.44Å; M410-E421 HydrophobicContact SD-CB 3.69Å
411	R	96.1	Very high	96.9	Very high	17 Å²	17	31.8 Å²	31.8	6%	0.064	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-42.7	174.1	-174.4	75.9	-166.4	159.6	12.6	112.7	I407 L408 L409 P415 F447 E450 N451	I407-R411 WeakPolarHBondContact O-CB 3.26Å; I407-R411 PolarHBondContact O-N 3.28Å; L408-R411 WeakPolarHBondContact O-CB 3.31Å; L408-R411 PolarHBondContact O-N 3.19Å; L409-R411 PolarHBondContact O-N 3.43Å; R411-P415 VanDerWaalsContact NH1-CB 3.34Å; R411-P415 WeakPolarHBondContact O-CD 3.44Å; R411-F447 HydrophobicContact CB-CE2 4.1Å; R411-F447 HydrophobicContact CB-CZ 4.31Å; R411-F447 HydrophobicContact CG-CE1 4.24Å; R411-F447 HydrophobicContact CG-CE2 4.04Å; R411-F447 HydrophobicContact CG-CZ 3.91Å; R411-F447 PolarHBondContact NH1-O 3.46Å; R411-E450 IonicContact CZ-OE2 2.79Å; R411-E450 IonicContact NE-OE2 3.8Å; R411-E450 PolarHBondContact NE-OE2 3.12Å; R411-E450 VanDerWaalsContact NE-OE2 3.16Å; R411-E450 IonicContact NH2-OE2 3.29Å; R411-E450 PolarHBondContact NH2-OE2 3.45Å; R411-N451 PolarHBondContact NH1-OD1 3.36Å
412	A	94.5	Very high	97	Very high	18 Å²	18	30.7 Å²	30.7	15%	0.149	16%	0.16	C	C	.	.	H	α-helix	trans	-72.2	-32.3	-179.5	0	0	0	0	0	112.5	L256 R371 L374 L382 L408 L409 M410	L256-A412 HydrophobicContact CD2-CB 4.43Å; R371-A412 WeakPolarHBondContact CD-O 3.25Å; R371-A412 PolarHBondContact NE-O 3.02Å; L374-A412 WeakPolarHBondContact CD1-O 3.45Å; L382-A412 HydrophobicContact CD1-CB 4.21Å; L408-A412 WeakPolarHBondContact O-CB 3.4Å; L408-A412 PolarHBondContact O-N 2.81Å; L409-A412 PolarHBondContact O-N 3.18Å; M410-A412 PolarHBondContact O-N 3.48Å
413	L	95.3	Very high	97	Very high	11 Å²	11	33.2 Å²	33.2	6%	0.058	17%	0.173	C	C	.	.	H	α-helix	trans	-88.4	-48.2	-174.1	-77.6	169.4	0	0	0	114.7	R371 L374 T379 L382 Q383 L386 L409 M410 Y418	R371-L413 VanDerWaalsContact CZ-C 3.47Å; R371-L413 PolarHBondContact NH1-O 3.43Å; R371-L413 PolarHBondContact NH2-O 2.88Å; L374-L413 HydrophobicContact CD1-CD2 4.23Å; T379-L413 HydrophobicContact CG2-CD2 4.26Å; L382-L413 HydrophobicContact CB-CD1 4.45Å; L382-L413 HydrophobicContact CB-CD2 3.7Å; L382-L413 HydrophobicContact CB-CG 4.08Å; Q383-L413 HydrophobicContact CG-CD1 4.04Å; Q383-L413 HydrophobicContact CG-CD2 3.72Å; L386-L413 HydrophobicContact CB-CD1 4.14Å; L386-L413 HydrophobicContact CD2-CD1 3.74Å; L409-L413 WeakPolarHBondContact O-CB 3.21Å; L409-L413 WeakPolarHBondContact O-CG 3.3Å; L409-L413 PolarHBondContact O-N 3.31Å; M410-L413 PolarHBondContact O-N 2.92Å; L413-Y418 HydrophobicContact CB-CE2 4.12Å
414	D	95.2	Very high	97	Very high	67 Å²	67	35.8 Å²	35.8	36%	0.358	19%	0.194	S	C	.	.			trans	-165.9	87.4	178	-172.8	-3.3	0	0	0	110.2	M410 L416 G417 Y418	M410-D414 CarbonylContact O-C 3.3Å; M410-D414 VanDerWaalsContact O-C 3.3Å; M410-D414 PolarHBondContact O-N 3.47Å; D414-L416 PolarHBondContact O-N 2.91Å; D414-L416 PolarHBondContact OD1-N 2.96Å; D414-G417 VanDerWaalsContact CG-N 3.3Å; D414-G417 PolarHBondContact O-N 3.14Å; D414-G417 PolarHBondContact OD1-N 3.01Å; D414-G417 WeakPolarHBondContact OD2-CA 3.31Å; D414-G417 PolarHBondContact OD2-N 2.67Å; D414-Y418 HydrophobicContact CB-CD2 3.94Å; D414-Y418 HydrophobicContact CB-CE2 4.12Å; D414-Y418 WeakPolarHBondContact O-CB 3.12Å; D414-Y418 VanDerWaalsContact O-CD2 3.27Å; D414-Y418 WeakPolarHBondContact O-CD2 3.47Å; D414-Y418 PolarHBondContact O-N 2.64Å
415	P	95.3	Very high	97	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.039	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.6	-174.2	27	-35.2	0	0	0	113.5	R411 N451 L454	R411-P415 VanDerWaalsContact NH1-CB 3.34Å; R411-P415 WeakPolarHBondContact O-CD 3.44Å; P415-N451 PolarHBondContact O-ND2 3.18Å; P415-L454 HydrophobicContact CG-CD1 4.34Å
416	L	95.6	Very high	97	Very high	71 Å²	71	36.5 Å²	36.5	37%	0.372	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-42.9	178.2	-61.7	-176.9	0	0	0	110.6	D414 Y418 E419 N451 L454 K455	D414-L416 PolarHBondContact O-N 2.91Å; D414-L416 PolarHBondContact OD1-N 2.96Å; L416-Y418 PolarHBondContact O-N 3.48Å; L416-E419 PolarHBondContact O-N 2.91Å; L416-N451 HydrophobicContact CD2-CB 3.8Å; L416-L454 HydrophobicContact CD1-CB 4.43Å; L416-K455 HydrophobicContact CD2-CG 4.14Å
417	G	96.8	Very high	97	Very high	47 Å²	47	41.3 Å²	41.3	49%	0.485	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-35.5	177.1	0	0	0	0	0	113.7	D414	D414-G417 VanDerWaalsContact CG-N 3.3Å; D414-G417 PolarHBondContact O-N 3.14Å; D414-G417 PolarHBondContact OD1-N 3.01Å; D414-G417 WeakPolarHBondContact OD2-CA 3.31Å; D414-G417 PolarHBondContact OD2-N 2.67Å
418	Y	97.8	Very high	96.9	Very high	73 Å²	73	43.9 Å²	43.9	29%	0.286	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	16.7	-180	-68.4	-65.9	0	0	0	114.5	L386 M410 L413 D414 L416 K420 E421 T422	L386-Y418 HydrophobicContact CD2-CE2 4.45Å; M410-Y418 HydrophobicContact CB-CD2 3.91Å; M410-Y418 HydrophobicContact CB-CG 3.82Å; M410-Y418 HydrophobicContact CG-CD1 3.92Å; M410-Y418 HydrophobicContact CG-CD2 3.98Å; M410-Y418 HydrophobicContact CG-CE1 4.45Å; M410-Y418 HydrophobicContact CG-CG 3.67Å; M410-Y418 HydrophobicContact SD-CD1 3.86Å; M410-Y418 HydrophobicContact SD-CG 3.98Å; L413-Y418 HydrophobicContact CB-CE2 4.12Å; D414-Y418 HydrophobicContact CB-CD2 3.94Å; D414-Y418 HydrophobicContact CB-CE2 4.12Å; D414-Y418 WeakPolarHBondContact O-CB 3.12Å; D414-Y418 VanDerWaalsContact O-CD2 3.27Å; D414-Y418 WeakPolarHBondContact O-CD2 3.47Å; D414-Y418 PolarHBondContact O-N 2.64Å; L416-Y418 PolarHBondContact O-N 3.48Å; Y418-K420 VanDerWaalsContact C-N 3.33Å; Y418-K420 PolarHBondContact O-N 3.46Å; Y418-E421 PolarHBondContact O-N 2.81Å; Y418-T422 WeakPolarHBondContact O-CB 3.36Å; Y418-T422 PolarHBondContact O-N 2.82Å; Y418-T422 PolarHBondContact O-OG1 3.39Å
419	E	96.1	Very high	96.9	Very high	29 Å²	29	42.8 Å²	42.8	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-45.7	-174	-177.3	178.5	153.1	0	0	111.8	L416 T422 L423 K455 R469	L416-E419 PolarHBondContact O-N 2.91Å; E419-T422 PolarHBondContact O-N 3.33Å; E419-L423 VanDerWaalsContact O-CG 3.31Å; E419-L423 WeakPolarHBondContact O-CG 3.29Å; E419-L423 PolarHBondContact O-N 3.32Å; E419-L423 VanDerWaalsContact O-N 3.08Å; E419-K455 IonicContact OE1-NZ 3.16Å; E419-K455 WeakPolarHBondContact OE2-CE 3.44Å; E419-K455 IonicContact OE2-NZ 2.82Å; E419-K455 PolarHBondContact OE2-NZ 3.25Å; E419-R469 IonicContact OE1-CZ 3.58Å; E419-R469 IonicContact OE1-NH1 3.16Å; E419-R469 PolarHBondContact OE1-NH1 2.95Å; E419-R469 IonicContact OE1-NH2 2.74Å
420	K	97.3	Very high	96.9	Very high	168 Å²	168	44.8 Å²	44.8	73%	0.73	24%	0.238	S	C	*	.	H	α-helix	trans	-67.1	-46.1	-176.9	-176.3	-177.2	175.2	-173.3	0	111.7	Y418 T422 L423 A424	Y418-K420 VanDerWaalsContact C-N 3.33Å; Y418-K420 PolarHBondContact O-N 3.46Å; K420-T422 VanDerWaalsContact C-N 3.33Å; K420-L423 PolarHBondContact O-N 3Å; K420-A424 PolarHBondContact O-N 3.38Å; K420-A424 VanDerWaalsContact O-N 3.1Å
421	E	98.1	Very high	96.9	Very high	84 Å²	84	51.8 Å²	51.8	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-43.1	177.9	-68.1	72	-161.7	0	0	110.2	M410 Y418 L423 A424 H425	M410-E421 HydrophobicContact CE-CB 4.44Å; M410-E421 HydrophobicContact SD-CB 3.69Å; Y418-E421 PolarHBondContact O-N 2.81Å; E421-L423 VanDerWaalsContact C-N 3.34Å; E421-L423 PolarHBondContact O-N 3.31Å; E421-A424 PolarHBondContact O-N 2.86Å; E421-H425 PolarHBondContact O-N 2.95Å; E421-H425 PolarHBondContact O-ND1 2.9Å
422	T	98.1	Very high	97	Very high	11 Å²	11	53.1 Å²	53.1	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-46.2	176.3	-63.7	0	0	0	0	111.4	I407 Y418 E419 K420 A424 H425 F426 F447	I407-T422 HydrophobicContact CG2-CG2 4.17Å; Y418-T422 WeakPolarHBondContact O-CB 3.36Å; Y418-T422 PolarHBondContact O-N 2.82Å; Y418-T422 PolarHBondContact O-OG1 3.39Å; E419-T422 PolarHBondContact O-N 3.33Å; K420-T422 VanDerWaalsContact C-N 3.33Å; T422-A424 PolarHBondContact O-N 3.24Å; T422-H425 PolarHBondContact O-N 3.44Å; T422-F426 HydrophobicContact CG2-CD2 3.79Å; T422-F426 HydrophobicContact CG2-CE2 3.58Å; T422-F426 VanDerWaalsContact O-CD2 3.26Å; T422-F426 WeakPolarHBondContact O-CD2 3.41Å; T422-F426 PolarHBondContact O-N 2.99Å; T422-F447 HydrophobicContact CG2-CD2 4.23Å
423	L	97.5	Very high	97.1	Very high	52 Å²	52	52.6 Å²	52.6	27%	0.272	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-40.2	177.8	-66.9	177	0	0	0	112.3	E419 K420 E421 F426 Q427 C444 M448	E419-L423 VanDerWaalsContact O-CG 3.31Å; E419-L423 WeakPolarHBondContact O-CG 3.29Å; E419-L423 PolarHBondContact O-N 3.32Å; E419-L423 VanDerWaalsContact O-N 3.08Å; K420-L423 PolarHBondContact O-N 3Å; E421-L423 VanDerWaalsContact C-N 3.34Å; E421-L423 PolarHBondContact O-N 3.31Å; L423-F426 PolarHBondContact O-N 3.07Å; L423-Q427 PolarHBondContact O-N 3.21Å; L423-C444 WeakPolarHBondContact CD2-SG 3.5Å; L423-M448 HydrophobicContact CD2-CG 4.1Å; L423-M448 HydrophobicContact CD2-SD 3.69Å
424	A	97.5	Very high	97.2	Very high	54 Å²	54	56 Å²	56	45%	0.446	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-45.8	175.5	0	0	0	0	0	111.6	K420 E421 T422 F426 Q427 T428	K420-A424 PolarHBondContact O-N 3.38Å; K420-A424 VanDerWaalsContact O-N 3.1Å; E421-A424 PolarHBondContact O-N 2.86Å; T422-A424 PolarHBondContact O-N 3.24Å; A424-F426 VanDerWaalsContact C-N 3.32Å; A424-F426 PolarHBondContact O-N 3.3Å; A424-Q427 PolarHBondContact O-N 3.49Å; A424-Q427 VanDerWaalsContact O-N 3.12Å; A424-T428 PolarHBondContact O-N 3.15Å; A424-T428 VanDerWaalsContact O-N 3.16Å; A424-T428 PolarHBondContact O-OG1 3.44Å
425	H	98.3	Very high	97.4	Very high	29 Å²	29	60.4 Å²	60.4	13%	0.134	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-36	177.6	-74	81.9	0	0	0	112.6	I407 E421 T422 Q427 T428 L429	I407-H425 HydrophobicContact CD1-CB 3.79Å; I407-H425 HydrophobicContact CG1-CB 3.53Å; E421-H425 PolarHBondContact O-N 2.95Å; E421-H425 PolarHBondContact O-ND1 2.9Å; T422-H425 PolarHBondContact O-N 3.44Å; H425-Q427 VanDerWaalsContact C-N 3.3Å; H425-Q427 PolarHBondContact O-N 3.45Å; H425-T428 PolarHBondContact O-N 3Å; H425-L429 VanDerWaalsContact O-CB 3.22Å; H425-L429 WeakPolarHBondContact O-CB 3.45Å; H425-L429 PolarHBondContact O-N 3.26Å
426	F	98.3	Very high	97.5	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-37.9	173.3	-89	-62.4	0	0	0	112.5	I407 T422 L423 A424 L429 K430 L443 C444 F447	I407-F426 HydrophobicContact CD1-CD1 3.88Å; I407-F426 HydrophobicContact CD1-CD2 4.26Å; I407-F426 HydrophobicContact CD1-CE1 4.06Å; I407-F426 HydrophobicContact CD1-CE2 4.42Å; I407-F426 HydrophobicContact CD1-CG 3.97Å; I407-F426 HydrophobicContact CD1-CZ 4.33Å; I407-F426 HydrophobicContact CG2-CE1 4.3Å; I407-F426 HydrophobicContact CG2-CE2 3.79Å; I407-F426 HydrophobicContact CG2-CZ 3.65Å; T422-F426 HydrophobicContact CG2-CD2 3.79Å; T422-F426 HydrophobicContact CG2-CE2 3.58Å; T422-F426 VanDerWaalsContact O-CD2 3.26Å; T422-F426 WeakPolarHBondContact O-CD2 3.41Å; T422-F426 PolarHBondContact O-N 2.99Å; L423-F426 PolarHBondContact O-N 3.07Å; A424-F426 VanDerWaalsContact C-N 3.32Å; A424-F426 PolarHBondContact O-N 3.3Å; F426-L429 PolarHBondContact O-N 3.31Å; F426-K430 VanDerWaalsContact O-CG 3.24Å; F426-K430 WeakPolarHBondContact O-CG 3.44Å; F426-K430 PolarHBondContact O-N 3.39Å; F426-L443 HydrophobicContact CE1-CB 4.17Å; F426-L443 HydrophobicContact CE1-CD2 4.03Å; F426-L443 HydrophobicContact CE1-CG 4.07Å; F426-L443 HydrophobicContact CZ-CB 4.33Å; F426-L443 HydrophobicContact CZ-CD2 4.14Å; F426-L443 HydrophobicContact CZ-CG 3.9Å; F426-C444 HydrophobicContact CD1-CB 4.09Å; F426-C444 HydrophobicContact CD2-CB 3.83Å; F426-C444 HydrophobicContact CE1-CB 4.21Å; F426-C444 HydrophobicContact CE2-CB 3.96Å; F426-C444 HydrophobicContact CG-CB 3.91Å; F426-C444 HydrophobicContact CZ-CB 4.15Å; F426-F447 AromaticContact CE2-CD2 3.74Å; F426-F447 HydrophobicContact CE2-CD2 3.74Å; F426-F447 HydrophobicContact CE2-CE2 4.27Å; F426-F447 AromaticContact CZ-CD2 3.85Å; F426-F447 HydrophobicContact CZ-CD2 3.85Å; F426-F447 HydrophobicContact CZ-CE2 4.02Å
427	Q	96.9	Very high	97.6	Very high	102 Å²	102	62.7 Å²	62.7	48%	0.477	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-50.7	176.9	-66.3	-66.3	13.7	0	0	111	L423 A424 H425 L429 K430 E431	L423-Q427 PolarHBondContact O-N 3.21Å; A424-Q427 PolarHBondContact O-N 3.49Å; A424-Q427 VanDerWaalsContact O-N 3.12Å; H425-Q427 VanDerWaalsContact C-N 3.3Å; H425-Q427 PolarHBondContact O-N 3.45Å; Q427-L429 VanDerWaalsContact C-N 3.28Å; Q427-L429 PolarHBondContact O-N 2.9Å; Q427-K430 WeakPolarHBondContact O-CB 3.5Å; Q427-K430 PolarHBondContact O-N 3.02Å; Q427-K430 VanDerWaalsContact O-N 3.11Å; Q427-E431 PolarHBondContact O-N 3.15Å; Q427-E431 VanDerWaalsContact O-N 3.16Å
428	T	97.6	Very high	97.6	Very high	53 Å²	53	63.6 Å²	63.6	33%	0.325	33%	0.334	S	S	.	.	H	α-helix	trans	-56.5	-43.6	175.9	-50.3	0	0	0	0	111.6	L403 A424 H425 K430 E431 V432	L403-T428 HydrophobicContact CD1-CG2 4.09Å; L403-T428 HydrophobicContact CD2-CG2 4.03Å; A424-T428 PolarHBondContact O-N 3.15Å; A424-T428 VanDerWaalsContact O-N 3.16Å; A424-T428 PolarHBondContact O-OG1 3.44Å; H425-T428 PolarHBondContact O-N 3Å; T428-K430 VanDerWaalsContact C-N 3.33Å; T428-K430 PolarHBondContact O-N 3.31Å; T428-E431 PolarHBondContact O-N 3.36Å; T428-V432 HydrophobicContact CG2-CG2 4.29Å; T428-V432 WeakPolarHBondContact O-CB 3.49Å; T428-V432 WeakPolarHBondContact O-CG2 3.4Å; T428-V432 PolarHBondContact O-N 3.18Å
429	L	97.9	Very high	97.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-36.5	179.6	-178.3	56.5	0	0	0	112.8	K400 L403 L404 I407 H425 F426 Q427 E431 D433 Y440	K400-L429 HydrophobicContact CB-CD1 3.79Å; K400-L429 WeakPolarHBondContact O-CD1 3.42Å; L403-L429 HydrophobicContact CB-CB 4.32Å; L403-L429 HydrophobicContact CB-CD1 3.94Å; L403-L429 HydrophobicContact CD1-CB 4.45Å; L403-L429 HydrophobicContact CD1-CD1 4.26Å; L404-L429 HydrophobicContact CB-CD2 3.99Å; L404-L429 HydrophobicContact CD1-CD2 4.08Å; I407-L429 HydrophobicContact CD1-CD2 3.92Å; H425-L429 VanDerWaalsContact O-CB 3.22Å; H425-L429 WeakPolarHBondContact O-CB 3.45Å; H425-L429 PolarHBondContact O-N 3.26Å; F426-L429 PolarHBondContact O-N 3.31Å; Q427-L429 VanDerWaalsContact C-N 3.28Å; Q427-L429 PolarHBondContact O-N 2.9Å; L429-E431 VanDerWaalsContact C-N 3.32Å; L429-D433 PolarHBondContact O-N 3.04Å; L429-Y440 HydrophobicContact CD1-CE1 4.32Å; L429-Y440 HydrophobicContact CD1-CE2 4.14Å; L429-Y440 HydrophobicContact CD2-CD1 3.61Å; L429-Y440 HydrophobicContact CD2-CD2 4.46Å; L429-Y440 HydrophobicContact CD2-CE1 3.42Å; L429-Y440 VanDerWaalsContact CD2-CE1 3.42Å; L429-Y440 HydrophobicContact CD2-CE2 4.32Å; L429-Y440 HydrophobicContact CD2-CG 4.14Å; L429-Y440 HydrophobicContact CG-CD1 4.04Å; L429-Y440 HydrophobicContact CG-CD2 3.98Å; L429-Y440 HydrophobicContact CG-CE1 3.8Å; L429-Y440 HydrophobicContact CG-CE2 3.75Å; L429-Y440 HydrophobicContact CG-CG 4.14Å
430	K	97.9	Very high	97.7	Very high	42 Å²	42	63.3 Å²	63.3	18%	0.183	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-34.5	175.1	-73.1	172.5	-169.9	-171.5	0	112.3	F426 Q427 T428 D433 S434 Y440 S441	F426-K430 VanDerWaalsContact O-CG 3.24Å; F426-K430 WeakPolarHBondContact O-CG 3.44Å; F426-K430 PolarHBondContact O-N 3.39Å; Q427-K430 WeakPolarHBondContact O-CB 3.5Å; Q427-K430 PolarHBondContact O-N 3.02Å; Q427-K430 VanDerWaalsContact O-N 3.11Å; T428-K430 VanDerWaalsContact C-N 3.33Å; T428-K430 PolarHBondContact O-N 3.31Å; K430-D433 CarbonylContact O-C 3.5Å; K430-S434 VanDerWaalsContact O-CA 3.29Å; K430-S434 WeakPolarHBondContact O-CA 3.32Å; K430-S434 PolarHBondContact O-N 3.06Å; K430-Y440 HydrophobicContact CG-CD2 4.23Å; K430-Y440 HydrophobicContact CG-CG 4.45Å; K430-S441 WeakPolarHBondContact CE-OG 3.44Å; K430-S441 PolarHBondContact NZ-OG 3.1Å
431	E	97.4	Very high	97.8	Very high	152 Å²	152	56.3 Å²	56.3	71%	0.71	30%	0.304	S	S	*	.	H	α-helix	trans	-71.8	-47.5	176.5	-66.8	174	-175.9	0	0	111.3	Q427 T428 L429 D433	Q427-E431 PolarHBondContact O-N 3.15Å; Q427-E431 VanDerWaalsContact O-N 3.16Å; T428-E431 PolarHBondContact O-N 3.36Å; L429-E431 VanDerWaalsContact C-N 3.32Å; E431-D433 VanDerWaalsContact C-N 3.31Å; E431-D433 PolarHBondContact O-N 3.49Å
432	V	97.4	Very high	97.8	Very high	44 Å²	44	55.7 Å²	55.7	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-64.7	-35.4	179.3	170.5	0	0	0	0	111.9	L398 K400 L403 T428	L398-V432 HydrophobicContact CB-CG1 4.41Å; L398-V432 HydrophobicContact CD2-CG2 3.94Å; L398-V432 WeakPolarHBondContact O-CG1 3.38Å; K400-V432 HydrophobicContact CB-CG1 4.17Å; L403-V432 HydrophobicContact CD1-CB 4.15Å; L403-V432 HydrophobicContact CD1-CG1 4.29Å; L403-V432 HydrophobicContact CD1-CG2 3.92Å; T428-V432 HydrophobicContact CG2-CG2 4.29Å; T428-V432 WeakPolarHBondContact O-CB 3.49Å; T428-V432 WeakPolarHBondContact O-CG2 3.4Å; T428-V432 PolarHBondContact O-N 3.18Å
433	D	97.6	Very high	97.8	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.043	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	62.6	-175.6	-172.5	26.9	0	0	0	113.1	K400 L429 K430 E431 M435 R436 S437 Y440	K400-D433 HydrophobicContact CB-CB 4.17Å; K400-D433 HydrophobicContact CD-CB 4.21Å; L429-D433 PolarHBondContact O-N 3.04Å; K430-D433 CarbonylContact O-C 3.5Å; E431-D433 VanDerWaalsContact C-N 3.31Å; E431-D433 PolarHBondContact O-N 3.49Å; D433-M435 PolarHBondContact O-N 2.98Å; D433-M435 VanDerWaalsContact O-N 3.14Å; D433-R436 PolarHBondContact O-N 3.45Å; D433-R436 IonicContact OD1-CZ 3.36Å; D433-R436 IonicContact OD1-NE 2.73Å; D433-R436 PolarHBondContact OD1-NE 3.42Å; D433-R436 IonicContact OD1-NH1 2.63Å; D433-R436 PolarHBondContact OD1-NH1 2.94Å; D433-R436 IonicContact OD1-NH2 3.48Å; D433-R436 PolarHBondContact OD1-NH2 3.47Å; D433-R436 WeakPolarHBondContact OD2-CD 3.38Å; D433-R436 IonicContact OD2-CZ 3.68Å; D433-R436 IonicContact OD2-NE 2.76Å; D433-R436 PolarHBondContact OD2-NE 3.05Å; D433-R436 VanDerWaalsContact OD2-NE 3.17Å; D433-R436 IonicContact OD2-NH1 3.22Å; D433-R436 PolarHBondContact OD2-NH1 2.99Å; D433-R436 IonicContact OD2-NH2 3.86Å; D433-R436 PolarHBondContact OD2-NH2 2.99Å; D433-S437 PolarHBondContact O-N 3.44Å; D433-Y440 HydrophobicContact CB-CE2 3.88Å; D433-Y440 PolarHBondContact OD2-OH 2.69Å
434	S	97.3	Very high	97.8	Very high	81 Å²	81	54 Å²	54	57%	0.566	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-54.8	-33	-175.3	61.7	0	0	0	0	114.8	K430 R436 S437	K430-S434 VanDerWaalsContact O-CA 3.29Å; K430-S434 WeakPolarHBondContact O-CA 3.32Å; K430-S434 PolarHBondContact O-N 3.06Å; S434-R436 PolarHBondContact O-N 3.16Å; S434-R436 VanDerWaalsContact O-N 3.14Å; S434-S437 VanDerWaalsContact O-CB 3.3Å; S434-S437 WeakPolarHBondContact O-CB 3.26Å; S434-S437 PolarHBondContact O-N 3.31Å; S434-S437 VanDerWaalsContact O-N 3.15Å; S434-S437 PolarHBondContact O-OG 3.17Å
435	M	97.8	Very high	97.8	Very high	160 Å²	160	51.4 Å²	51.4	79%	0.788	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-62.1	-20.3	177.1	-67	-167.1	-63.5	0	0	113.3	D433	D433-M435 PolarHBondContact O-N 2.98Å; D433-M435 VanDerWaalsContact O-N 3.14Å
436	R	97.9	Very high	97.8	Very high	75 Å²	75	53.9 Å²	53.9	28%	0.283	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-115.2	13.1	179.5	-82.3	152.9	-94.7	149.6	8.2	113	D433 S434 A438 Y439 Y440	D433-R436 PolarHBondContact O-N 3.45Å; D433-R436 IonicContact OD1-CZ 3.36Å; D433-R436 IonicContact OD1-NE 2.73Å; D433-R436 PolarHBondContact OD1-NE 3.42Å; D433-R436 IonicContact OD1-NH1 2.63Å; D433-R436 PolarHBondContact OD1-NH1 2.94Å; D433-R436 IonicContact OD1-NH2 3.48Å; D433-R436 PolarHBondContact OD1-NH2 3.47Å; D433-R436 WeakPolarHBondContact OD2-CD 3.38Å; D433-R436 IonicContact OD2-CZ 3.68Å; D433-R436 IonicContact OD2-NE 2.76Å; D433-R436 PolarHBondContact OD2-NE 3.05Å; D433-R436 VanDerWaalsContact OD2-NE 3.17Å; D433-R436 IonicContact OD2-NH1 3.22Å; D433-R436 PolarHBondContact OD2-NH1 2.99Å; D433-R436 IonicContact OD2-NH2 3.86Å; D433-R436 PolarHBondContact OD2-NH2 2.99Å; S434-R436 PolarHBondContact O-N 3.16Å; S434-R436 VanDerWaalsContact O-N 3.14Å; R436-A438 VanDerWaalsContact C-N 3.27Å; R436-A438 PolarHBondContact O-N 2.9Å; R436-Y439 WeakPolarHBondContact O-CB 3.26Å; R436-Y439 PolarHBondContact O-N 3.14Å; R436-Y440 HydrophobicContact CB-CD2 4.14Å; R436-Y440 HydrophobicContact CB-CE2 3.51Å; R436-Y440 WeakPolarHBondContact O-CD2 3.47Å; R436-Y440 PolarHBondContact O-N 3.13Å
437	S	97.5	Very high	97.8	Very high	51 Å²	51	54.5 Å²	54.5	36%	0.357	29%	0.287	S	S	.	.	H	α-helix	trans	-51.3	-40.5	178.6	54.4	0	0	0	0	114.3	D433 S434 Y440 S441	D433-S437 PolarHBondContact O-N 3.44Å; S434-S437 VanDerWaalsContact O-CB 3.3Å; S434-S437 WeakPolarHBondContact O-CB 3.26Å; S434-S437 PolarHBondContact O-N 3.31Å; S434-S437 VanDerWaalsContact O-N 3.15Å; S434-S437 PolarHBondContact O-OG 3.17Å; S437-Y440 PolarHBondContact O-N 2.98Å; S437-S441 PolarHBondContact O-N 3.39Å; S437-S441 PolarHBondContact O-OG 3.21Å
438	A	97.6	Very high	97.9	Very high	66 Å²	66	50.2 Å²	50.2	55%	0.545	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-48.2	175.4	0	0	0	0	0	111.7	R436 Y440 S441 D442	R436-A438 VanDerWaalsContact C-N 3.27Å; R436-A438 PolarHBondContact O-N 2.9Å; A438-Y440 VanDerWaalsContact C-N 3.3Å; A438-Y440 PolarHBondContact O-N 2.62Å; A438-S441 WeakPolarHBondContact O-CB 3.46Å; A438-S441 PolarHBondContact O-N 2.89Å; A438-D442 PolarHBondContact O-N 3.38Å
439	Y	98	Very high	97.9	Very high	89 Å²	89	47.8 Å²	47.8	35%	0.349	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-41.8	175.8	163.8	-94.3	0	0	0	112.1	R253 R436 S441 D442 L443	R253-Y439 PolarHBondContact NH1-OH 3.18Å; R253-Y439 PolarHBondContact NH2-OH 3.3Å; R436-Y439 WeakPolarHBondContact O-CB 3.26Å; R436-Y439 PolarHBondContact O-N 3.14Å; Y439-S441 VanDerWaalsContact C-N 3.33Å; Y439-D442 PolarHBondContact O-N 2.88Å; Y439-L443 HydrophobicContact CE1-CD2 4.26Å; Y439-L443 WeakPolarHBondContact O-CB 3.44Å; Y439-L443 PolarHBondContact O-N 3.49Å
440	Y	98.3	Very high	97.9	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.027	25%	0.254	C	S	.	.	H	α-helix	trans	-69.1	-31.7	176.9	-60.8	-48.4	0	0	0	112.9	L404 L429 K430 D433 R436 S437 A438 C444	L404-Y440 HydrophobicContact CD1-CE1 4.5Å; L429-Y440 HydrophobicContact CD1-CE1 4.32Å; L429-Y440 HydrophobicContact CD1-CE2 4.14Å; L429-Y440 HydrophobicContact CD2-CD1 3.61Å; L429-Y440 HydrophobicContact CD2-CD2 4.46Å; L429-Y440 HydrophobicContact CD2-CE1 3.42Å; L429-Y440 VanDerWaalsContact CD2-CE1 3.42Å; L429-Y440 HydrophobicContact CD2-CE2 4.32Å; L429-Y440 HydrophobicContact CD2-CG 4.14Å; L429-Y440 HydrophobicContact CG-CD1 4.04Å; L429-Y440 HydrophobicContact CG-CD2 3.98Å; L429-Y440 HydrophobicContact CG-CE1 3.8Å; L429-Y440 HydrophobicContact CG-CE2 3.75Å; L429-Y440 HydrophobicContact CG-CG 4.14Å; K430-Y440 HydrophobicContact CG-CD2 4.23Å; K430-Y440 HydrophobicContact CG-CG 4.45Å; D433-Y440 HydrophobicContact CB-CE2 3.88Å; D433-Y440 PolarHBondContact OD2-OH 2.69Å; R436-Y440 HydrophobicContact CB-CD2 4.14Å; R436-Y440 HydrophobicContact CB-CE2 3.51Å; R436-Y440 WeakPolarHBondContact O-CD2 3.47Å; R436-Y440 PolarHBondContact O-N 3.13Å; S437-Y440 PolarHBondContact O-N 2.98Å; A438-Y440 VanDerWaalsContact C-N 3.3Å; A438-Y440 PolarHBondContact O-N 2.62Å; Y440-C444 WeakPolarHBondContact O-CB 3.43Å; Y440-C444 PolarHBondContact O-N 3.04Å
441	S	98	Very high	97.9	Very high	21 Å²	21	46.4 Å²	46.4	15%	0.147	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-41.4	174.4	-56.7	0	0	0	0	111.3	K430 S437 A438 Y439 C444 S445 T472	K430-S441 WeakPolarHBondContact CE-OG 3.44Å; K430-S441 PolarHBondContact NZ-OG 3.1Å; S437-S441 PolarHBondContact O-N 3.39Å; S437-S441 PolarHBondContact O-OG 3.21Å; A438-S441 WeakPolarHBondContact O-CB 3.46Å; A438-S441 PolarHBondContact O-N 2.89Å; Y439-S441 VanDerWaalsContact C-N 3.33Å; S441-C444 PolarHBondContact O-N 3.34Å; S441-S445 WeakPolarHBondContact O-CB 3.23Å; S441-S445 PolarHBondContact O-N 3.08Å; S441-S445 PolarHBondContact O-OG 3.36Å; S441-T472 VanDerWaalsContact C-OG1 3.25Å; S441-T472 PolarHBondContact O-OG1 3.1Å
442	D	98.2	Very high	97.9	Very high	71 Å²	71	40.2 Å²	40.2	38%	0.38	22%	0.219	S	C	.	.	H	α-helix	trans	-65	-44.3	174.4	-72.2	-17.3	0	0	0	111.5	A438 Y439 C444 S445 K446 T472 T473	A438-D442 PolarHBondContact O-N 3.38Å; Y439-D442 PolarHBondContact O-N 2.88Å; D442-C444 PolarHBondContact O-N 3.11Å; D442-S445 WeakPolarHBondContact O-CB 3.35Å; D442-S445 PolarHBondContact O-N 2.78Å; D442-K446 PolarHBondContact O-N 2.9Å; D442-T472 PolarHBondContact N-OG1 3.22Å; D442-T472 PolarHBondContact OD1-OG1 2.98Å; D442-T473 HydrophobicContact CB-CG2 3.88Å
443	L	98	Very high	97.9	Very high	15 Å²	15	38.1 Å²	38.1	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-40.2	177.9	-175.4	60.8	0	0	0	112.1	L404 F426 Y439 K446 F447	L404-L443 HydrophobicContact CD1-CD2 4.07Å; F426-L443 HydrophobicContact CE1-CB 4.17Å; F426-L443 HydrophobicContact CE1-CD2 4.03Å; F426-L443 HydrophobicContact CE1-CG 4.07Å; F426-L443 HydrophobicContact CZ-CB 4.33Å; F426-L443 HydrophobicContact CZ-CD2 4.14Å; F426-L443 HydrophobicContact CZ-CG 3.9Å; Y439-L443 HydrophobicContact CE1-CD2 4.26Å; Y439-L443 WeakPolarHBondContact O-CB 3.44Å; Y439-L443 PolarHBondContact O-N 3.49Å; L443-K446 HydrophobicContact CD1-CD 4.46Å; L443-K446 WeakPolarHBondContact O-CB 3.38Å; L443-K446 PolarHBondContact O-N 2.95Å; L443-F447 HydrophobicContact CD1-CD1 4.26Å; L443-F447 HydrophobicContact CD1-CE1 3.67Å; L443-F447 HydrophobicContact CD1-CZ 3.93Å; L443-F447 HydrophobicContact CG-CE1 4.32Å; L443-F447 HydrophobicContact CG-CZ 4.23Å; L443-F447 PolarHBondContact O-N 3.46Å
444	C	98.3	Very high	97.8	Very high	11 Å²	11	38.8 Å²	38.8	7%	0.074	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-44.9	173.6	-174.1	0	0	0	0	111	L423 F426 Y440 S441 D442 K446 F447 M448	L423-C444 WeakPolarHBondContact CD2-SG 3.5Å; F426-C444 HydrophobicContact CD1-CB 4.09Å; F426-C444 HydrophobicContact CD2-CB 3.83Å; F426-C444 HydrophobicContact CE1-CB 4.21Å; F426-C444 HydrophobicContact CE2-CB 3.96Å; F426-C444 HydrophobicContact CG-CB 3.91Å; F426-C444 HydrophobicContact CZ-CB 4.15Å; Y440-C444 WeakPolarHBondContact O-CB 3.43Å; Y440-C444 PolarHBondContact O-N 3.04Å; S441-C444 PolarHBondContact O-N 3.34Å; D442-C444 PolarHBondContact O-N 3.11Å; C444-K446 VanDerWaalsContact C-N 3.29Å; C444-K446 PolarHBondContact O-N 3.42Å; C444-F447 PolarHBondContact O-N 3.44Å; C444-M448 WeakPolarHBondContact O-CG 3.38Å; C444-M448 PolarHBondContact O-N 3.34Å
445	S	98.3	Very high	97.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-45.2	175.9	-55.5	0	0	0	0	110.8	S441 D442 F447 M448 I449 T472	S441-S445 WeakPolarHBondContact O-CB 3.23Å; S441-S445 PolarHBondContact O-N 3.08Å; S441-S445 PolarHBondContact O-OG 3.36Å; D442-S445 WeakPolarHBondContact O-CB 3.35Å; D442-S445 PolarHBondContact O-N 2.78Å; S445-F447 PolarHBondContact O-N 3.02Å; S445-M448 PolarHBondContact O-N 3.31Å; S445-I449 VanDerWaalsContact O-CG1 3.3Å; S445-I449 WeakPolarHBondContact O-CG1 3.39Å; S445-I449 PolarHBondContact O-N 3.04Å; S445-T472 PolarHBondContact OG-N 3.23Å; S445-T472 PolarHBondContact OG-OG1 2.91Å; S445-T472 VanDerWaalsContact OG-OG1 3.1Å
446	K	97.9	Very high	97.7	Very high	80 Å²	80	31.9 Å²	31.9	35%	0.348	17%	0.165	S	C	.	.	H	α-helix	trans	-55.8	-50.7	174.5	174.1	175.8	177.1	177.1	0	111.9	D442 L443 C444 M448 I449 E450 C475	D442-K446 PolarHBondContact O-N 2.9Å; L443-K446 HydrophobicContact CD1-CD 4.46Å; L443-K446 WeakPolarHBondContact O-CB 3.38Å; L443-K446 PolarHBondContact O-N 2.95Å; C444-K446 VanDerWaalsContact C-N 3.29Å; C444-K446 PolarHBondContact O-N 3.42Å; K446-M448 VanDerWaalsContact C-N 3.34Å; K446-M448 PolarHBondContact O-N 2.76Å; K446-I449 PolarHBondContact O-N 3.29Å; K446-E450 WeakPolarHBondContact CE-OE1 3.45Å; K446-E450 HydrophobicContact CG-CG 4.4Å; K446-E450 WeakPolarHBondContact CG-OE1 3.41Å; K446-E450 IonicContact NZ-OE1 2.94Å; K446-E450 VanDerWaalsContact O-CG 3.23Å; K446-E450 WeakPolarHBondContact O-CG 3.41Å; K446-E450 PolarHBondContact O-N 2.89Å; K446-C475 VanDerWaalsContact CA-SG 3.56Å
447	F	97.9	Very high	97.5	Very high	16 Å²	16	29.4 Å²	29.4	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-37	-178.6	-72.7	2.6	0	0	0	113.1	I407 L408 R411 T422 F426 L443 C444 S445 N451	I407-F447 HydrophobicContact CG2-CD2 4.23Å; I407-F447 HydrophobicContact CG2-CE2 3.6Å; L408-F447 HydrophobicContact CD2-CZ 4.15Å; R411-F447 HydrophobicContact CB-CE2 4.1Å; R411-F447 HydrophobicContact CB-CZ 4.31Å; R411-F447 HydrophobicContact CG-CE1 4.24Å; R411-F447 HydrophobicContact CG-CE2 4.04Å; R411-F447 HydrophobicContact CG-CZ 3.91Å; R411-F447 PolarHBondContact NH1-O 3.46Å; T422-F447 HydrophobicContact CG2-CD2 4.23Å; F426-F447 AromaticContact CE2-CD2 3.74Å; F426-F447 HydrophobicContact CE2-CD2 3.74Å; F426-F447 HydrophobicContact CE2-CE2 4.27Å; F426-F447 AromaticContact CZ-CD2 3.85Å; F426-F447 HydrophobicContact CZ-CD2 3.85Å; F426-F447 HydrophobicContact CZ-CE2 4.02Å; L443-F447 HydrophobicContact CD1-CD1 4.26Å; L443-F447 HydrophobicContact CD1-CE1 3.67Å; L443-F447 HydrophobicContact CD1-CZ 3.93Å; L443-F447 HydrophobicContact CG-CE1 4.32Å; L443-F447 HydrophobicContact CG-CZ 4.23Å; L443-F447 PolarHBondContact O-N 3.46Å; C444-F447 PolarHBondContact O-N 3.44Å; S445-F447 PolarHBondContact O-N 3.02Å; F447-N451 WeakPolarHBondContact O-CB 3.29Å; F447-N451 PolarHBondContact O-N 3.49Å; F447-N451 PolarHBondContact O-OD1 3.44Å
448	M	98.1	Very high	97.3	Very high	11 Å²	11	37 Å²	37	5%	0.054	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-41.6	175.8	-67.4	-175	-68.3	0	0	111.7	L423 C444 S445 K446 N451 T452 I466 R469 L471	L423-M448 HydrophobicContact CD2-CG 4.1Å; L423-M448 HydrophobicContact CD2-SD 3.69Å; C444-M448 WeakPolarHBondContact O-CG 3.38Å; C444-M448 PolarHBondContact O-N 3.34Å; S445-M448 PolarHBondContact O-N 3.31Å; K446-M448 VanDerWaalsContact C-N 3.34Å; K446-M448 PolarHBondContact O-N 2.76Å; M448-N451 PolarHBondContact O-N 3.45Å; M448-T452 PolarHBondContact O-N 3.07Å; M448-T452 PolarHBondContact O-OG1 2.93Å; M448-T452 VanDerWaalsContact O-OG1 3.11Å; M448-I466 HydrophobicContact CB-CD1 3.89Å; M448-R469 HydrophobicContact CE-CB 4.15Å; M448-R469 WeakPolarHBondContact CE-O 3.44Å; M448-R469 HydrophobicContact SD-CB 3.91Å; M448-R469 HydrophobicContact SD-CG 4.4Å; M448-L471 HydrophobicContact CB-CD2 4.39Å; M448-L471 HydrophobicContact CE-CD2 3.75Å
449	I	98.3	Very high	97.2	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-48.9	174.9	-71.7	165.8	0	0	0	110.5	S445 K446 N451 T452 I453 F464 I466 L471 L474 C475	S445-I449 VanDerWaalsContact O-CG1 3.3Å; S445-I449 WeakPolarHBondContact O-CG1 3.39Å; S445-I449 PolarHBondContact O-N 3.04Å; K446-I449 PolarHBondContact O-N 3.29Å; I449-N451 VanDerWaalsContact C-N 3.3Å; I449-N451 PolarHBondContact O-N 2.77Å; I449-T452 PolarHBondContact O-N 3.08Å; I449-T452 VanDerWaalsContact O-N 3.13Å; I449-I453 HydrophobicContact CG2-CD1 4.05Å; I449-I453 WeakPolarHBondContact O-CG1 3.43Å; I449-I453 PolarHBondContact O-N 2.88Å; I449-F464 HydrophobicContact CB-CZ 4.44Å; I449-F464 HydrophobicContact CG1-CZ 4.39Å; I449-F464 HydrophobicContact CG2-CZ 4.01Å; I449-I466 HydrophobicContact CG1-CD1 3.94Å; I449-L471 HydrophobicContact CG1-CD2 4.34Å; I449-L474 HydrophobicContact CD1-CD2 4.15Å; I449-C475 WeakPolarHBondContact CG2-O 3.38Å
450	E	97.6	Very high	97	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-42.3	177.4	-66.6	176.9	179.8	0	0	111.5	F370 R411 K446 I453 L454 H476	F370-E450 HydrophobicContact CB-CB 4.17Å; F370-E450 HydrophobicContact CB-CG 4.33Å; F370-E450 HydrophobicContact CD1-CB 3.91Å; F370-E450 HydrophobicContact CD1-CG 3.37Å; F370-E450 HydrophobicContact CD2-CB 3.87Å; F370-E450 HydrophobicContact CD2-CG 4.25Å; F370-E450 HydrophobicContact CE1-CB 4.28Å; F370-E450 HydrophobicContact CE1-CG 3.63Å; F370-E450 HydrophobicContact CE2-CB 4.23Å; F370-E450 HydrophobicContact CE2-CG 4.45Å; F370-E450 HydrophobicContact CG-CB 3.71Å; F370-E450 HydrophobicContact CG-CG 3.72Å; F370-E450 HydrophobicContact CZ-CB 4.43Å; F370-E450 HydrophobicContact CZ-CG 4.18Å; R411-E450 IonicContact CZ-OE2 2.79Å; R411-E450 IonicContact NE-OE2 3.8Å; R411-E450 PolarHBondContact NE-OE2 3.12Å; R411-E450 VanDerWaalsContact NE-OE2 3.16Å; R411-E450 IonicContact NH2-OE2 3.29Å; R411-E450 PolarHBondContact NH2-OE2 3.45Å; K446-E450 WeakPolarHBondContact CE-OE1 3.45Å; K446-E450 HydrophobicContact CG-CG 4.4Å; K446-E450 WeakPolarHBondContact CG-OE1 3.41Å; K446-E450 IonicContact NZ-OE1 2.94Å; K446-E450 VanDerWaalsContact O-CG 3.23Å; K446-E450 WeakPolarHBondContact O-CG 3.41Å; K446-E450 PolarHBondContact O-N 2.89Å; E450-I453 PolarHBondContact O-N 3.41Å; E450-L454 WeakPolarHBondContact O-CG 3.29Å; E450-L454 PolarHBondContact O-N 3.08Å; E450-H476 VanDerWaalsContact CG-CD2 3.4Å; E450-H476 WeakPolarHBondContact CG-CD2 3.43Å; E450-H476 WeakPolarHBondContact CG-NE2 3.36Å; E450-H476 IonicContact OE1-CD2 2.66Å; E450-H476 IonicContact OE1-CE1 3.24Å; E450-H476 IonicContact OE1-NE2 2.81Å; E450-H476 PolarHBondContact OE1-NE2 2.86Å
451	N	97.5	Very high	97	Very high	5 Å²	5	44 Å²	44	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-42.3	174.8	-79	7.5	0	0	0	112.5	R411 P415 L416 F447 M448 I449 I453 L454 K455	R411-N451 PolarHBondContact NH1-OD1 3.36Å; P415-N451 PolarHBondContact O-ND2 3.18Å; L416-N451 HydrophobicContact CD2-CB 3.8Å; F447-N451 WeakPolarHBondContact O-CB 3.29Å; F447-N451 PolarHBondContact O-N 3.49Å; F447-N451 PolarHBondContact O-OD1 3.44Å; M448-N451 PolarHBondContact O-N 3.45Å; I449-N451 VanDerWaalsContact C-N 3.3Å; I449-N451 PolarHBondContact O-N 2.77Å; N451-I453 VanDerWaalsContact C-N 3.33Å; N451-L454 PolarHBondContact O-N 3.49Å; N451-K455 VanDerWaalsContact O-CG 3.3Å; N451-K455 WeakPolarHBondContact O-CG 3.41Å; N451-K455 PolarHBondContact O-N 2.96Å
452	T	98.1	Very high	96.9	Very high	21 Å²	21	45.5 Å²	45.5	13%	0.129	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-37.6	177.5	-61.1	0	0	0	0	111.5	M448 I449 K455 M456 F464 S465 I466	M448-T452 PolarHBondContact O-N 3.07Å; M448-T452 PolarHBondContact O-OG1 2.93Å; M448-T452 VanDerWaalsContact O-OG1 3.11Å; I449-T452 PolarHBondContact O-N 3.08Å; I449-T452 VanDerWaalsContact O-N 3.13Å; T452-K455 PolarHBondContact O-N 3.13Å; T452-M456 VanDerWaalsContact O-CB 3.25Å; T452-M456 WeakPolarHBondContact O-CB 3.49Å; T452-M456 PolarHBondContact O-N 3.36Å; T452-F464 HydrophobicContact CG2-CD2 3.65Å; T452-F464 HydrophobicContact CG2-CE1 4.34Å; T452-F464 HydrophobicContact CG2-CE2 3.38Å; T452-F464 HydrophobicContact CG2-CG 4.22Å; T452-F464 HydrophobicContact CG2-CZ 3.78Å; T452-S465 WeakPolarHBondContact CG2-O 3.47Å; T452-I466 HydrophobicContact CG2-CB 4.44Å
453	I	97.5	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-48	173.3	-64.7	170.8	0	0	0	110.2	A364 F370 I449 E450 N451 K455 M456 E457 F464 H476 Q479 L480	A364-I453 HydrophobicContact CB-CG2 4.09Å; F370-I453 HydrophobicContact CE2-CB 3.73Å; F370-I453 HydrophobicContact CE2-CD1 3.98Å; F370-I453 HydrophobicContact CE2-CG1 4.43Å; F370-I453 HydrophobicContact CE2-CG2 3.65Å; F370-I453 HydrophobicContact CZ-CB 4.24Å; F370-I453 HydrophobicContact CZ-CD1 3.56Å; F370-I453 HydrophobicContact CZ-CG1 4.47Å; F370-I453 HydrophobicContact CZ-CG2 4.15Å; I449-I453 HydrophobicContact CG2-CD1 4.05Å; I449-I453 WeakPolarHBondContact O-CG1 3.43Å; I449-I453 PolarHBondContact O-N 2.88Å; E450-I453 PolarHBondContact O-N 3.41Å; N451-I453 VanDerWaalsContact C-N 3.33Å; I453-K455 VanDerWaalsContact C-N 3.35Å; I453-K455 PolarHBondContact O-N 3.37Å; I453-M456 HydrophobicContact CG2-CE 4.48Å; I453-M456 WeakPolarHBondContact O-CB 3.41Å; I453-M456 PolarHBondContact O-N 2.86Å; I453-E457 HydrophobicContact CG2-CG 4.4Å; I453-E457 WeakPolarHBondContact O-CG 3.38Å; I453-E457 PolarHBondContact O-N 3.15Å; I453-F464 HydrophobicContact CG1-CD2 4.33Å; I453-F464 HydrophobicContact CG1-CE2 3.73Å; I453-H476 HydrophobicContact CD1-CB 3.91Å; I453-Q479 HydrophobicContact CD1-CB 4.03Å; I453-L480 HydrophobicContact CD1-CD2 4.1Å; I453-L480 HydrophobicContact CG1-CD2 3.87Å
454	L	95.9	Very high	97	Very high	23 Å²	23	45 Å²	45	12%	0.12	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-42.5	178.5	-66.1	173.6	0	0	0	112.3	A364 F370 P415 L416 E450 N451 E457 Y458	A364-L454 HydrophobicContact CB-CD2 4.4Å; F370-L454 HydrophobicContact CD2-CD1 4.42Å; F370-L454 HydrophobicContact CD2-CD2 4Å; F370-L454 HydrophobicContact CD2-CG 3.98Å; P415-L454 HydrophobicContact CG-CD1 4.34Å; L416-L454 HydrophobicContact CD1-CB 4.43Å; E450-L454 WeakPolarHBondContact O-CG 3.29Å; E450-L454 PolarHBondContact O-N 3.08Å; N451-L454 PolarHBondContact O-N 3.49Å; L454-E457 PolarHBondContact O-N 3.27Å; L454-Y458 WeakPolarHBondContact O-CB 3.37Å; L454-Y458 PolarHBondContact O-N 2.66Å
455	K	96.1	Very high	96.9	Very high	82 Å²	82	47.4 Å²	47.4	36%	0.357	24%	0.237	S	C	.	.	H	α-helix	trans	-64.4	-40.7	176.7	-70.5	172.2	-172	178.3	0	112.2	L416 E419 N451 T452 I453 A459	L416-K455 HydrophobicContact CD2-CG 4.14Å; E419-K455 IonicContact OE1-NZ 3.16Å; E419-K455 WeakPolarHBondContact OE2-CE 3.44Å; E419-K455 IonicContact OE2-NZ 2.82Å; E419-K455 PolarHBondContact OE2-NZ 3.25Å; N451-K455 VanDerWaalsContact O-CG 3.3Å; N451-K455 WeakPolarHBondContact O-CG 3.41Å; N451-K455 PolarHBondContact O-N 2.96Å; T452-K455 PolarHBondContact O-N 3.13Å; I453-K455 VanDerWaalsContact C-N 3.35Å; I453-K455 PolarHBondContact O-N 3.37Å; K455-A459 WeakPolarHBondContact O-CB 3.35Å; K455-A459 PolarHBondContact O-N 2.66Å
456	M	96.6	Very high	96.9	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.069	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-44.8	177.1	178.5	-170.7	72.3	0	0	110.9	T452 I453 A459 E460 V461 F464 L480 V483	T452-M456 VanDerWaalsContact O-CB 3.25Å; T452-M456 WeakPolarHBondContact O-CB 3.49Å; T452-M456 PolarHBondContact O-N 3.36Å; I453-M456 HydrophobicContact CG2-CE 4.48Å; I453-M456 WeakPolarHBondContact O-CB 3.41Å; I453-M456 PolarHBondContact O-N 2.86Å; M456-A459 PolarHBondContact O-N 3.12Å; M456-E460 PolarHBondContact O-N 3.5Å; M456-E460 VanDerWaalsContact O-N 3.14Å; M456-V461 HydrophobicContact CG-CG2 3.98Å; M456-V461 WeakPolarHBondContact CG-O 3.29Å; M456-V461 PolarHBondContact O-N 2.97Å; M456-F464 HydrophobicContact SD-CB 4.13Å; M456-F464 HydrophobicContact SD-CD2 4.29Å; M456-L480 HydrophobicContact CE-CD2 4.29Å; M456-V483 HydrophobicContact CE-CG2 4.25Å; M456-V483 HydrophobicContact SD-CG2 3.77Å
457	E	94.2	Very high	96.9	Very high	23 Å²	23	46 Å²	46	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-46.9	176.5	-72.1	176.9	168.9	0	0	111.9	R361 A364 T365 I453 L454 A459 E460	R361-E457 IonicContact CZ-OE1 3.94Å; R361-E457 IonicContact NH1-OE1 2.79Å; R361-E457 PolarHBondContact NH1-OE1 3.34Å; R361-E457 IonicContact NH2-OE1 3.24Å; R361-E457 PolarHBondContact NH2-OE1 2.9Å; A364-E457 WeakPolarHBondContact CB-OE1 3.39Å; A364-E457 WeakPolarHBondContact CB-OE2 3.48Å; A364-E457 VanDerWaalsContact N-CD 3.31Å; A364-E457 PolarHBondContact N-OE1 2.94Å; A364-E457 PolarHBondContact N-OE2 2.59Å; T365-E457 PolarHBondContact N-OE2 3.08Å; I453-E457 HydrophobicContact CG2-CG 4.4Å; I453-E457 WeakPolarHBondContact O-CG 3.38Å; I453-E457 PolarHBondContact O-N 3.15Å; L454-E457 PolarHBondContact O-N 3.27Å; E457-A459 VanDerWaalsContact C-N 3.25Å; E457-A459 PolarHBondContact O-N 3.15Å; E457-E460 PolarHBondContact O-N 3.41Å
458	Y	93.4	Very high	96.8	Very high	211 Å²	211	50.8 Å²	50.8	83%	0.827	26%	0.264	S	S	*	.	H	α-helix	trans	-60.5	-34.8	177.4	-179.6	-95.1	0	0	0	112.9	L454 E460	L454-Y458 WeakPolarHBondContact O-CB 3.37Å; L454-Y458 PolarHBondContact O-N 2.66Å; Y458-E460 VanDerWaalsContact C-N 3.3Å
459	A	95.6	Very high	96.8	Very high	56 Å²	56	54.8 Å²	54.8	46%	0.463	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.9	177	0	0	0	0	0	113.5	K455 M456 E457 V461	K455-A459 WeakPolarHBondContact O-CB 3.35Å; K455-A459 PolarHBondContact O-N 2.66Å; M456-A459 PolarHBondContact O-N 3.12Å; E457-A459 VanDerWaalsContact C-N 3.25Å; E457-A459 PolarHBondContact O-N 3.15Å; A459-V461 HydrophobicContact CB-CG1 4.19Å; A459-V461 HydrophobicContact CB-CG2 4.07Å; A459-V461 WeakPolarHBondContact O-CG1 3.44Å; A459-V461 PolarHBondContact O-N 3.33Å
460	E	94.4	Very high	96.6	Very high	184 Å²	184	59 Å²	59	86%	0.86	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	34.3	-175.3	-59.2	-174.5	167.1	0	0	113.6	M456 E457 Y458	M456-E460 PolarHBondContact O-N 3.5Å; M456-E460 VanDerWaalsContact O-N 3.14Å; E457-E460 PolarHBondContact O-N 3.41Å; Y458-E460 VanDerWaalsContact C-N 3.3Å
461	V	96.7	Very high	96.6	Very high	68 Å²	68	58.5 Å²	58.5	41%	0.412	30%	0.298	S	S	.	.			trans	-104.4	157.2	179.3	-61.1	0	0	0	0	111.7	M456 A459	M456-V461 HydrophobicContact CG-CG2 3.98Å; M456-V461 WeakPolarHBondContact CG-O 3.29Å; M456-V461 PolarHBondContact O-N 2.97Å; A459-V461 HydrophobicContact CB-CG1 4.19Å; A459-V461 HydrophobicContact CB-CG2 4.07Å; A459-V461 WeakPolarHBondContact O-CG1 3.44Å; A459-V461 PolarHBondContact O-N 3.33Å
462	R	97.3	Very high	96.6	Very high	53 Å²	53	60.2 Å²	60.2	20%	0.2	31%	0.309	C	S	.	.	S	Bend	trans	-106.4	24.4	175.5	-66.3	169	61.7	-164.5	2.8	112.4	E357 L482 V483 T484 H485	E357-R462 IonicContact OE1-CZ 3.82Å; E357-R462 IonicContact OE1-NH1 3.89Å; E357-R462 PolarHBondContact OE1-NH1 3Å; E357-R462 IonicContact OE1-NH2 2.65Å; E357-R462 PolarHBondContact OE1-NH2 3.19Å; E357-R462 IonicContact OE2-NH2 3.31Å; R462-L482 PolarHBondContact NE-O 3.05Å; R462-L482 PolarHBondContact NH2-O 3.19Å; R462-L482 VanDerWaalsContact NH2-O 3.14Å; R462-V483 WeakPolarHBondContact O-CA 3.36Å; R462-T484 HydrophobicContact CB-CG2 4.3Å; R462-T484 VanDerWaalsContact CZ-CG2 3.45Å; R462-T484 VanDerWaalsContact NH2-CG2 3.27Å; R462-T484 PolarHBondContact O-N 2.91Å; R462-T484 PolarHBondContact O-OG1 3.14Å; R462-H485 PolarHBondContact O-N 3.16Å
463	V	98.4	Very high	96.5	Very high	74 Å²	74	61.7 Å²	61.7	45%	0.448	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.3	-180	-178.3	0	0	0	0	108.3	H485	V463-H485 WeakPolarHBondContact CA-O 3.42Å; V463-H485 HydrophobicContact CB-CB 4.48Å; V463-H485 HydrophobicContact CG1-CB 4.11Å; V463-H485 HydrophobicContact CG2-CB 4.17Å
464	F	98.4	Very high	96.5	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.009	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	103.4	176.4	-175.9	-87	0	0	0	109.5	I449 T452 I453 M456 I466 L480 V483 H485 I486 N487 L488	I449-F464 HydrophobicContact CB-CZ 4.44Å; I449-F464 HydrophobicContact CG1-CZ 4.39Å; I449-F464 HydrophobicContact CG2-CZ 4.01Å; T452-F464 HydrophobicContact CG2-CD2 3.65Å; T452-F464 HydrophobicContact CG2-CE1 4.34Å; T452-F464 HydrophobicContact CG2-CE2 3.38Å; T452-F464 HydrophobicContact CG2-CG 4.22Å; T452-F464 HydrophobicContact CG2-CZ 3.78Å; I453-F464 HydrophobicContact CG1-CD2 4.33Å; I453-F464 HydrophobicContact CG1-CE2 3.73Å; M456-F464 HydrophobicContact SD-CB 4.13Å; M456-F464 HydrophobicContact SD-CD2 4.29Å; F464-I466 HydrophobicContact CD1-CG2 4.16Å; F464-I466 HydrophobicContact CE1-CB 4.15Å; F464-I466 HydrophobicContact CE1-CG2 3.45Å; F464-I466 VanDerWaalsContact CE1-CG2 3.45Å; F464-I466 HydrophobicContact CZ-CG2 4.17Å; F464-L480 HydrophobicContact CD1-CD1 4.42Å; F464-L480 HydrophobicContact CD2-CD1 4.31Å; F464-L480 HydrophobicContact CD2-CD2 3.84Å; F464-L480 HydrophobicContact CE2-CD1 4.5Å; F464-L480 HydrophobicContact CE2-CD2 4.21Å; F464-L480 HydrophobicContact CG-CD1 4.28Å; F464-L480 HydrophobicContact CG-CD2 4.42Å; F464-V483 HydrophobicContact CB-CG1 3.92Å; F464-V483 HydrophobicContact CB-CG2 4.12Å; F464-H485 PolarHBondContact N-O 3.07Å; F464-I486 HydrophobicContact CB-CG1 4.16Å; F464-I486 HydrophobicContact CD1-CD1 3.89Å; F464-I486 HydrophobicContact CD1-CG1 3.68Å; F464-I486 HydrophobicContact CG-CG1 4.35Å; F464-I486 CarbonylContact O-C 3.58Å; F464-I486 VanDerWaalsContact O-CA 3.28Å; F464-I486 WeakPolarHBondContact O-CA 3.27Å; F464-N487 PolarHBondContact O-N 2.8Å; F464-L488 HydrophobicContact CE1-CD2 4.25Å
465	S	97.6	Very high	96.5	Very high	60 Å²	60	62.9 Å²	62.9	42%	0.42	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.7	179.7	-176.8	0	0	0	0	111.3	T452	T452-S465 WeakPolarHBondContact CG2-O 3.47Å
466	I	97.6	Very high	96.4	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	32%	0.317	C	S	.	.			trans	-144.1	49.1	-179.6	-165.8	167.7	0	0	0	111	M448 I449 T452 F464 R469 L471 N487 L488 N491	M448-I466 HydrophobicContact CB-CD1 3.89Å; I449-I466 HydrophobicContact CG1-CD1 3.94Å; T452-I466 HydrophobicContact CG2-CB 4.44Å; F464-I466 HydrophobicContact CD1-CG2 4.16Å; F464-I466 HydrophobicContact CE1-CB 4.15Å; F464-I466 HydrophobicContact CE1-CG2 3.45Å; F464-I466 VanDerWaalsContact CE1-CG2 3.45Å; F464-I466 HydrophobicContact CZ-CG2 4.17Å; I466-R469 HydrophobicContact CG1-CB 4.07Å; I466-R469 HydrophobicContact CG1-CG 3.78Å; I466-L471 HydrophobicContact CB-CD1 4.28Å; I466-L471 HydrophobicContact CD1-CD1 3.82Å; I466-L471 HydrophobicContact CD1-CD2 3.91Å; I466-L471 HydrophobicContact CD1-CG 4.33Å; I466-L471 HydrophobicContact CG1-CD1 3.88Å; I466-L471 HydrophobicContact CG1-CD2 4.48Å; I466-L471 HydrophobicContact CG1-CG 4.44Å; I466-L471 HydrophobicContact CG2-CD1 3.55Å; I466-N487 PolarHBondContact N-O 3.5Å; I466-L488 HydrophobicContact CG2-CD2 3.57Å; I466-N491 PolarHBondContact O-ND2 2.84Å
467	S	97.6	Very high	96.4	Very high	48 Å²	48	60.4 Å²	60.4	34%	0.336	32%	0.316	S	S	.	.			trans	-74.6	149.3	177.6	62.7	0	0	0	0	112.8	S489	S467-S489 CarbonylContact C-O 3.04Å; S467-S489 WeakPolarHBondContact CA-O 3.46Å; S467-S489 WeakPolarHBondContact CB-O 3.45Å
468	D	96.9	Very high	96.3	Very high	117 Å²	117	60.9 Å²	60.9	63%	0.626	32%	0.319	S	S	*	.	S	Bend	trans	59.8	48.3	174	-167	33.7	0	0	0	113.7	S489 S490	D468-S489 PolarHBondContact N-O 2.74Å; D468-S490 WeakPolarHBondContact CA-O 3.13Å; D468-S490 PolarHBondContact N-O 3.1Å
469	R	96.2	Very high	96.3	Very high	94 Å²	94	51.1 Å²	51.1	36%	0.355	28%	0.281	S	S	.	.	S	Bend	trans	-124.6	9.5	-175.9	-66	-58.7	-179.6	135.1	1.1	114.4	E419 M448 I466 L471 N491	E419-R469 IonicContact OE1-CZ 3.58Å; E419-R469 IonicContact OE1-NH1 3.16Å; E419-R469 PolarHBondContact OE1-NH1 2.95Å; E419-R469 IonicContact OE1-NH2 2.74Å; M448-R469 HydrophobicContact CE-CB 4.15Å; M448-R469 WeakPolarHBondContact CE-O 3.44Å; M448-R469 HydrophobicContact SD-CB 3.91Å; M448-R469 HydrophobicContact SD-CG 4.4Å; I466-R469 HydrophobicContact CG1-CB 4.07Å; I466-R469 HydrophobicContact CG1-CG 3.78Å; R469-L471 HydrophobicContact CB-CD2 4.42Å; R469-L471 HydrophobicContact CB-CG 4.2Å; R469-L471 PolarHBondContact O-N 3.06Å; R469-N491 VanDerWaalsContact C-OD1 3.31Å; R469-N491 WeakPolarHBondContact CA-OD1 3.5Å; R469-N491 PolarHBondContact N-OD1 3.35Å; R469-N491 VanDerWaalsContact N-OD1 3.07Å
470	N	95.8	Very high	96.4	Very high	90 Å²	90	48.5 Å²	48.5	48%	0.481	26%	0.26	S	S	.	.			trans	52.8	34.7	-177.8	-63.7	-61.7	0	0	0	113.1	T472 N491 Q492	N470-T472 PolarHBondContact O-N 3.48Å; N470-N491 PolarHBondContact N-OD1 2.48Å; N470-Q492 PolarHBondContact OD1-NE2 3.44Å
471	L	97.7	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.			trans	-62.5	130.7	177.7	-61.5	176.2	0	0	0	110.1	M448 I449 I466 R469 N491 Q492 L493	M448-L471 HydrophobicContact CB-CD2 4.39Å; M448-L471 HydrophobicContact CE-CD2 3.75Å; I449-L471 HydrophobicContact CG1-CD2 4.34Å; I466-L471 HydrophobicContact CB-CD1 4.28Å; I466-L471 HydrophobicContact CD1-CD1 3.82Å; I466-L471 HydrophobicContact CD1-CD2 3.91Å; I466-L471 HydrophobicContact CD1-CG 4.33Å; I466-L471 HydrophobicContact CG1-CD1 3.88Å; I466-L471 HydrophobicContact CG1-CD2 4.48Å; I466-L471 HydrophobicContact CG1-CG 4.44Å; I466-L471 HydrophobicContact CG2-CD1 3.55Å; R469-L471 HydrophobicContact CB-CD2 4.42Å; R469-L471 HydrophobicContact CB-CG 4.2Å; R469-L471 PolarHBondContact O-N 3.06Å; L471-N491 HydrophobicContact CB-CB 3.96Å; L471-N491 WeakPolarHBondContact CG-OD1 3.42Å; L471-N491 PolarHBondContact N-OD1 2.96Å; L471-Q492 CarbonylContact O-C 3.57Å; L471-Q492 VanDerWaalsContact O-C 3.24Å; L471-Q492 VanDerWaalsContact O-CA 3.24Å; L471-Q492 WeakPolarHBondContact O-CA 3.33Å; L471-Q492 WeakPolarHBondContact O-CB 3.41Å; L471-Q492 PolarHBondContact O-N 3.18Å; L471-L493 HydrophobicContact CB-CD2 4.08Å; L471-L493 PolarHBondContact O-N 2.84Å
472	T	96.8	Very high	96.6	Very high	40 Å²	40	37.4 Å²	37.4	25%	0.245	20%	0.203	C	C	.	.			trans	-106.6	-20.6	178.6	40.1	0	0	0	0	111.9	S441 D442 S445 N470 Q492	S441-T472 VanDerWaalsContact C-OG1 3.25Å; S441-T472 PolarHBondContact O-OG1 3.1Å; D442-T472 PolarHBondContact N-OG1 3.22Å; D442-T472 PolarHBondContact OD1-OG1 2.98Å; S445-T472 PolarHBondContact OG-N 3.23Å; S445-T472 PolarHBondContact OG-OG1 2.91Å; S445-T472 VanDerWaalsContact OG-OG1 3.1Å; N470-T472 PolarHBondContact O-N 3.48Å; T472-Q492 HydrophobicContact CG2-CB 4.12Å
473	T	96.4	Very high	96.6	Very high	52 Å²	52	35 Å²	35	32%	0.319	20%	0.195	S	C	.	.			trans	-148.6	160.9	179.4	-167.6	0	0	0	0	111.3	D442	D442-T473 HydrophobicContact CB-CG2 3.88Å
474	L	96.4	Very high	96.6	Very high	19 Å²	19	32.2 Å²	32.2	10%	0.099	18%	0.178	C	C	.	.			trans	-109.9	143.8	172.3	-64.3	177	0	0	0	109.9	I449 L477 L488 L493 L496 P497 F500	I449-L474 HydrophobicContact CD1-CD2 4.15Å; L474-L477 HydrophobicContact CB-CD1 4.22Å; L474-L477 HydrophobicContact CB-CD2 4.33Å; L474-L477 HydrophobicContact CB-CG 4.48Å; L474-L488 HydrophobicContact CD1-CD1 3.93Å; L474-L488 HydrophobicContact CD2-CD1 4.25Å; L474-L488 HydrophobicContact CD2-CD2 4.09Å; L474-L493 HydrophobicContact CD1-CD1 4.32Å; L474-L493 HydrophobicContact CD2-CD1 4.1Å; L474-L493 HydrophobicContact CD2-CD2 4.19Å; L474-L493 HydrophobicContact CG-CD1 4.23Å; L474-L493 HydrophobicContact CG-CD2 4.03Å; L474-L496 HydrophobicContact CD1-CD2 4.1Å; L474-P497 HydrophobicContact CB-CG 4.44Å; L474-F500 HydrophobicContact CD1-CD2 4.11Å; L474-F500 HydrophobicContact CD1-CE2 4.26Å
475	C	95.4	Very high	96.7	Very high	29 Å²	29	35.5 Å²	35.5	20%	0.196	19%	0.193	C	C	.	.			trans	-145.8	170.3	175.9	63.4	0	0	0	0	110.7	K446 I449 L477	K446-C475 VanDerWaalsContact CA-SG 3.56Å; I449-C475 WeakPolarHBondContact CG2-O 3.38Å; C475-L477 PolarHBondContact O-N 3.21Å; C475-L477 VanDerWaalsContact O-N 3.14Å
476	H	95.1	Very high	96.7	Very high	37 Å²	37	32.8 Å²	32.8	17%	0.171	17%	0.174	C	C	.	.			trans	55.7	28.9	177.4	-52.9	-56.1	0	0	0	114.4	F370 E450 I453 D478 Q479	F370-H476 AromaticContact CD1-NE2 3.98Å; F370-H476 HydrophobicContact CE1-CB 4.31Å; F370-H476 AromaticContact CE1-CD2 3.57Å; F370-H476 AromaticContact CE1-CE1 3.85Å; F370-H476 AromaticContact CE1-CG 3.74Å; F370-H476 AromaticContact CE1-ND1 3.96Å; F370-H476 AromaticContact CE1-NE2 3.63Å; F370-H476 HydrophobicContact CZ-CB 4.4Å; E450-H476 VanDerWaalsContact CG-CD2 3.4Å; E450-H476 WeakPolarHBondContact CG-CD2 3.43Å; E450-H476 WeakPolarHBondContact CG-NE2 3.36Å; E450-H476 IonicContact OE1-CD2 2.66Å; E450-H476 IonicContact OE1-CE1 3.24Å; E450-H476 IonicContact OE1-NE2 2.81Å; E450-H476 PolarHBondContact OE1-NE2 2.86Å; I453-H476 HydrophobicContact CD1-CB 3.91Å; H476-D478 VanDerWaalsContact C-OD1 3.28Å; H476-D478 VanDerWaalsContact CA-OD1 3.27Å; H476-D478 WeakPolarHBondContact CA-OD1 3.45Å; H476-D478 PolarHBondContact O-N 3.04Å; H476-Q479 HydrophobicContact CB-CG 4.21Å; H476-Q479 WeakPolarHBondContact O-CB 3.41Å; H476-Q479 PolarHBondContact O-N 2.96Å
477	L	95.5	Very high	96.8	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-64.3	-21.9	178.8	-63.2	177	0	0	0	112	L474 C475 Q479 L480 P497 Q499 F500 L503	L474-L477 HydrophobicContact CB-CD1 4.22Å; L474-L477 HydrophobicContact CB-CD2 4.33Å; L474-L477 HydrophobicContact CB-CG 4.48Å; C475-L477 PolarHBondContact O-N 3.21Å; C475-L477 VanDerWaalsContact O-N 3.14Å; L477-Q479 PolarHBondContact O-N 3.18Å; L477-L480 HydrophobicContact CD2-CD1 3.87Å; L477-L480 PolarHBondContact O-N 3.22Å; L477-P497 HydrophobicContact CD1-CG 3.97Å; L477-Q499 HydrophobicContact CB-CB 4.44Å; L477-Q499 HydrophobicContact CD1-CB 3.99Å; L477-F500 HydrophobicContact CD1-CB 4.21Å; L477-F500 HydrophobicContact CD1-CD2 4.12Å; L477-F500 HydrophobicContact CD2-CD2 4.31Å; L477-L503 HydrophobicContact CB-CD1 3.99Å; L477-L503 HydrophobicContact CD2-CD1 4.27Å
478	D	92.3	Very high	96.8	Very high	34 Å²	34	31.8 Å²	31.8	18%	0.182	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-60.9	-24.7	169.8	55.9	-68.7	0	0	0	113.3	P316 H476 L480 M502	P316-D478 HydrophobicContact CB-CB 3.86Å; P316-D478 HydrophobicContact CG-CB 3.77Å; H476-D478 VanDerWaalsContact C-OD1 3.28Å; H476-D478 VanDerWaalsContact CA-OD1 3.27Å; H476-D478 WeakPolarHBondContact CA-OD1 3.45Å; H476-D478 PolarHBondContact O-N 3.04Å; D478-L480 VanDerWaalsContact C-N 3.27Å; D478-M502 HydrophobicContact CB-SD 3.94Å
479	Q	94.9	Very high	96.9	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.028	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-81.9	-8.4	175.8	-57.8	-55.2	-52.7	0	0	113.2	R361 L369 F370 I453 H476 L477	R361-Q479 PolarHBondContact NH2-O 3.47Å; L369-Q479 HydrophobicContact CD2-CG 3.44Å; L369-Q479 VanDerWaalsContact CD2-CG 3.44Å; F370-Q479 HydrophobicContact CZ-CG 4.31Å; I453-Q479 HydrophobicContact CD1-CB 4.03Å; H476-Q479 HydrophobicContact CB-CG 4.21Å; H476-Q479 WeakPolarHBondContact O-CB 3.41Å; H476-Q479 PolarHBondContact O-N 2.96Å; L477-Q479 PolarHBondContact O-N 3.18Å
480	L	96.8	Very high	97	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-103.6	14.8	-172.8	-52.8	-172.7	0	0	0	112.9	I453 M456 F464 L477 D478 L482 V483 I486 L503	I453-L480 HydrophobicContact CD1-CD2 4.1Å; I453-L480 HydrophobicContact CG1-CD2 3.87Å; M456-L480 HydrophobicContact CE-CD2 4.29Å; F464-L480 HydrophobicContact CD1-CD1 4.42Å; F464-L480 HydrophobicContact CD2-CD1 4.31Å; F464-L480 HydrophobicContact CD2-CD2 3.84Å; F464-L480 HydrophobicContact CE2-CD1 4.5Å; F464-L480 HydrophobicContact CE2-CD2 4.21Å; F464-L480 HydrophobicContact CG-CD1 4.28Å; F464-L480 HydrophobicContact CG-CD2 4.42Å; L477-L480 HydrophobicContact CD2-CD1 3.87Å; L477-L480 PolarHBondContact O-N 3.22Å; D478-L480 VanDerWaalsContact C-N 3.27Å; L480-L482 PolarHBondContact O-N 3.41Å; L480-V483 HydrophobicContact CB-CB 4.29Å; L480-V483 HydrophobicContact CB-CG2 3.76Å; L480-V483 HydrophobicContact CD2-CG2 3.94Å; L480-V483 HydrophobicContact CG-CG2 4.34Å; L480-V483 WeakPolarHBondContact O-CB 3.41Å; L480-V483 PolarHBondContact O-N 3.28Å; L480-I486 HydrophobicContact CD1-CD1 4.33Å; L480-L503 HydrophobicContact CB-CD1 3.99Å; L480-L503 HydrophobicContact CB-CD2 4.15Å; L480-L503 HydrophobicContact CB-CG 3.78Å; L480-L503 HydrophobicContact CD1-CD2 4.42Å
481	L	97.2	Very high	97.1	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-43.1	179.7	178.6	69.8	0	0	0	112.6	C267 A278 A280 V317 M502 Q504 C505	C267-L481 HydrophobicContact CB-CD2 4.19Å; A278-L481 HydrophobicContact CB-CD1 4.08Å; A278-L481 HydrophobicContact CB-CD2 4.42Å; A280-L481 HydrophobicContact CB-CD2 4.2Å; V317-L481 HydrophobicContact CG1-CD1 3.78Å; V317-L481 HydrophobicContact CG2-CD1 4.45Å; L481-M502 VanDerWaalsContact CD1-O 3.26Å; L481-M502 WeakPolarHBondContact CD1-O 3.37Å; L481-Q504 HydrophobicContact CD1-CB 3.85Å; L481-Q504 HydrophobicContact CD1-CG 3.98Å; L481-C505 WeakPolarHBondContact O-CB 3.39Å; L481-C505 PolarHBondContact O-N 3.43Å; L481-C505 PolarHBondContact O-SG 3.06Å
482	L	97.8	Very high	97.1	Very high	15 Å²	15	25.2 Å²	25.2	8%	0.079	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.4	-174.4	-57.7	179.5	0	0	0	114.2	Y269 W359 R361 R462 L480 T484	Y269-L482 HydrophobicContact CD2-CD2 3.59Å; Y269-L482 HydrophobicContact CE2-CD2 4.41Å; Y269-L482 HydrophobicContact CG-CD2 4.06Å; W359-L482 HydrophobicContact CB-CD1 4.18Å; W359-L482 HydrophobicContact CB-CD2 3.91Å; W359-L482 HydrophobicContact CD2-CD1 4.02Å; W359-L482 HydrophobicContact CD2-CD2 4.24Å; W359-L482 HydrophobicContact CG-CD1 3.58Å; W359-L482 HydrophobicContact CG-CD2 3.95Å; W359-L482 HydrophobicContact CG-CG 4.44Å; R361-L482 HydrophobicContact CB-CD1 4.11Å; R361-L482 HydrophobicContact CG-CD1 4.47Å; R462-L482 PolarHBondContact NE-O 3.05Å; R462-L482 PolarHBondContact NH2-O 3.19Å; R462-L482 VanDerWaalsContact NH2-O 3.14Å; L480-L482 PolarHBondContact O-N 3.41Å; L482-T484 PolarHBondContact O-N 3.36Å
483	V	98.5	Very high	97.2	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.018	13%	0.127	C	C	.	.			trans	-63.3	132.6	-177.5	171.3	0	0	0	0	110.4	M456 R462 F464 L480 H485 I486 C505 L506	M456-V483 HydrophobicContact CE-CG2 4.25Å; M456-V483 HydrophobicContact SD-CG2 3.77Å; R462-V483 WeakPolarHBondContact O-CA 3.36Å; F464-V483 HydrophobicContact CB-CG1 3.92Å; F464-V483 HydrophobicContact CB-CG2 4.12Å; L480-V483 HydrophobicContact CB-CB 4.29Å; L480-V483 HydrophobicContact CB-CG2 3.76Å; L480-V483 HydrophobicContact CD2-CG2 3.94Å; L480-V483 HydrophobicContact CG-CG2 4.34Å; L480-V483 WeakPolarHBondContact O-CB 3.41Å; L480-V483 PolarHBondContact O-N 3.28Å; V483-H485 VanDerWaalsContact CG1-O 3.24Å; V483-H485 WeakPolarHBondContact CG1-O 3.43Å; V483-I486 HydrophobicContact CG1-CB 4.37Å; V483-C505 CarbonylContact O-C 3.55Å; V483-L506 HydrophobicContact CG1-CD1 4.13Å; V483-L506 VanDerWaalsContact O-CA 3.31Å; V483-L506 WeakPolarHBondContact O-CA 3.18Å; V483-L506 PolarHBondContact O-N 3.19Å
484	T	98.6	Very high	97.2	Very high	16 Å²	16	29 Å²	29	10%	0.098	14%	0.143	C	C	.	.	S	Bend	trans	-100.6	-32.2	176.7	58.7	0	0	0	0	112.2	R462 L482 C505 E507 V508	R462-T484 HydrophobicContact CB-CG2 4.3Å; R462-T484 VanDerWaalsContact CZ-CG2 3.45Å; R462-T484 VanDerWaalsContact NH2-CG2 3.27Å; R462-T484 PolarHBondContact O-N 2.91Å; R462-T484 PolarHBondContact O-OG1 3.14Å; L482-T484 PolarHBondContact O-N 3.36Å; T484-C505 WeakPolarHBondContact CA-O 3.36Å; T484-E507 WeakPolarHBondContact O-CA 3.33Å; T484-E507 WeakPolarHBondContact O-CB 3.49Å; T484-E507 PolarHBondContact O-N 3.41Å; T484-V508 PolarHBondContact O-N 2.87Å
485	H	98.8	Very high	97.2	Very high	71 Å²	71	35 Å²	35	33%	0.329	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.5	-179.1	-65.4	60.1	0	0	0	109.5	R462 V463 F464 V483 E507 V508	R462-H485 PolarHBondContact O-N 3.16Å; V463-H485 WeakPolarHBondContact CA-O 3.42Å; V463-H485 HydrophobicContact CB-CB 4.48Å; V463-H485 HydrophobicContact CG1-CB 4.11Å; V463-H485 HydrophobicContact CG2-CB 4.17Å; F464-H485 PolarHBondContact N-O 3.07Å; V483-H485 VanDerWaalsContact CG1-O 3.24Å; V483-H485 WeakPolarHBondContact CG1-O 3.43Å; H485-E507 IonicContact CE1-OE2 3.66Å; H485-V508 WeakPolarHBondContact NE2-CG2 3.17Å
486	I	98.6	Very high	97.2	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.2	176	-158.7	173	0	0	0	111.3	F464 L480 V483 L488 F500 L503 L506 V508 V509 E510	F464-I486 HydrophobicContact CB-CG1 4.16Å; F464-I486 HydrophobicContact CD1-CD1 3.89Å; F464-I486 HydrophobicContact CD1-CG1 3.68Å; F464-I486 HydrophobicContact CG-CG1 4.35Å; F464-I486 CarbonylContact O-C 3.58Å; F464-I486 VanDerWaalsContact O-CA 3.28Å; F464-I486 WeakPolarHBondContact O-CA 3.27Å; L480-I486 HydrophobicContact CD1-CD1 4.33Å; V483-I486 HydrophobicContact CG1-CB 4.37Å; I486-L488 HydrophobicContact CD1-CD1 4.14Å; I486-L488 HydrophobicContact CD1-CD2 3.97Å; I486-L488 HydrophobicContact CD1-CG 4.13Å; I486-L488 HydrophobicContact CG1-CD2 3.99Å; I486-L488 HydrophobicContact CG1-CG 4.03Å; I486-F500 HydrophobicContact CD1-CE2 3.98Å; I486-F500 HydrophobicContact CD1-CZ 4.23Å; I486-F500 HydrophobicContact CG2-CZ 3.95Å; I486-L503 HydrophobicContact CD1-CD2 3.93Å; I486-L506 HydrophobicContact CB-CD1 3.91Å; I486-L506 HydrophobicContact CG2-CD1 3.75Å; I486-L506 HydrophobicContact CG2-CD2 4.08Å; I486-L506 HydrophobicContact CG2-CG 4.48Å; I486-V508 PolarHBondContact N-O 3.05Å; I486-V509 HydrophobicContact CG2-CB 4.15Å; I486-V509 HydrophobicContact CG2-CG1 4.11Å; I486-V509 HydrophobicContact CG2-CG2 3.77Å; I486-E510 PolarHBondContact O-N 2.79Å
487	N	98.6	Very high	97.1	Very high	32 Å²	32	32.6 Å²	32.6	17%	0.171	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	112.6	172.4	-176.6	-17.2	0	0	0	110.3	F464 I466 S489 E510	F464-N487 PolarHBondContact O-N 2.8Å; I466-N487 PolarHBondContact N-O 3.5Å; N487-S489 WeakPolarHBondContact OD1-CB 3.46Å; N487-S489 PolarHBondContact OD1-N 3.48Å; N487-S489 PolarHBondContact OD1-OG 2.9Å; N487-E510 CarbonylContact C-O 3.6Å; N487-E510 WeakPolarHBondContact CA-O 3.28Å; N487-E510 HydrophobicContact CB-CB 4.16Å; N487-E510 PolarHBondContact ND2-OE2 2.73Å
488	L	98.5	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.			trans	-113.8	13.8	179.4	-56.7	179.4	0	0	0	111.9	F464 I466 L474 I486 N491 L493 L496 F500 E510 A511 N514	F464-L488 HydrophobicContact CE1-CD2 4.25Å; I466-L488 HydrophobicContact CG2-CD2 3.57Å; L474-L488 HydrophobicContact CD1-CD1 3.93Å; L474-L488 HydrophobicContact CD2-CD1 4.25Å; L474-L488 HydrophobicContact CD2-CD2 4.09Å; I486-L488 HydrophobicContact CD1-CD1 4.14Å; I486-L488 HydrophobicContact CD1-CD2 3.97Å; I486-L488 HydrophobicContact CD1-CG 4.13Å; I486-L488 HydrophobicContact CG1-CD2 3.99Å; I486-L488 HydrophobicContact CG1-CG 4.03Å; L488-N491 PolarHBondContact O-ND2 3.08Å; L488-L493 HydrophobicContact CB-CD1 4.01Å; L488-L493 HydrophobicContact CD1-CD1 4.02Å; L488-L496 HydrophobicContact CD1-CD2 4.07Å; L488-F500 HydrophobicContact CD1-CE2 4.02Å; L488-E510 PolarHBondContact N-O 3.47Å; L488-A511 HydrophobicContact CB-CB 4.43Å; L488-N514 PolarHBondContact O-ND2 3.47Å
489	S	98.7	Very high	97.1	Very high	11 Å²	11	35.3 Å²	35.3	8%	0.077	16%	0.164	C	C	.	.			trans	-65.7	152.4	-170.6	-57.9	0	0	0	0	113.1	S467 D468 N487 N491 D512	S467-S489 CarbonylContact C-O 3.04Å; S467-S489 WeakPolarHBondContact CA-O 3.46Å; S467-S489 WeakPolarHBondContact CB-O 3.45Å; D468-S489 PolarHBondContact N-O 2.74Å; N487-S489 WeakPolarHBondContact OD1-CB 3.46Å; N487-S489 PolarHBondContact OD1-N 3.48Å; N487-S489 PolarHBondContact OD1-OG 2.9Å; S489-N491 PolarHBondContact O-ND2 2.57Å; S489-D512 CarbonylContact C-O 3.34Å; S489-D512 WeakPolarHBondContact CA-O 3.22Å; S489-D512 PolarHBondContact OG-N 2.89Å
490	S	98.6	Very high	97.2	Very high	48 Å²	48	35 Å²	35	34%	0.336	16%	0.163	S	C	.	.	S	Bend	trans	59.2	53.7	178.6	-54.1	0	0	0	0	112.5	D468 D512 N513	D468-S490 WeakPolarHBondContact CA-O 3.13Å; D468-S490 PolarHBondContact N-O 3.1Å; S490-D512 PolarHBondContact N-O 3.22Å; S490-N513 WeakPolarHBondContact CA-O 3.44Å
491	N	98.6	Very high	97.1	Very high	11 Å²	11	35 Å²	35	6%	0.059	16%	0.162	C	C	.	.	S	Bend	trans	-130.2	-169.4	176	-78	-60.5	0	0	0	110.4	I466 R469 N470 L471 L488 S489 L493 N513 N514	I466-N491 PolarHBondContact O-ND2 2.84Å; R469-N491 VanDerWaalsContact C-OD1 3.31Å; R469-N491 WeakPolarHBondContact CA-OD1 3.5Å; R469-N491 PolarHBondContact N-OD1 3.35Å; R469-N491 VanDerWaalsContact N-OD1 3.07Å; N470-N491 PolarHBondContact N-OD1 2.48Å; L471-N491 HydrophobicContact CB-CB 3.96Å; L471-N491 WeakPolarHBondContact CG-OD1 3.42Å; L471-N491 PolarHBondContact N-OD1 2.96Å; L488-N491 PolarHBondContact O-ND2 3.08Å; S489-N491 PolarHBondContact O-ND2 2.57Å; N491-L493 HydrophobicContact CB-CG 4.26Å; N491-N513 PolarHBondContact N-O 3.15Å; N491-N514 VanDerWaalsContact CA-OD1 3.31Å; N491-N514 WeakPolarHBondContact CA-OD1 3.37Å; N491-N514 WeakPolarHBondContact CB-OD1 3.17Å; N491-N514 PolarHBondContact O-OD1 2.89Å
492	Q	97.7	Very high	97.1	Very high	92 Å²	92	35.1 Å²	35.1	43%	0.43	16%	0.163	S	C	.	.			trans	-115.3	27.7	-177.8	-55.7	178.1	20.4	0	0	111.5	N470 L471 T472 N514	N470-Q492 PolarHBondContact OD1-NE2 3.44Å; L471-Q492 CarbonylContact O-C 3.57Å; L471-Q492 VanDerWaalsContact O-C 3.24Å; L471-Q492 VanDerWaalsContact O-CA 3.24Å; L471-Q492 WeakPolarHBondContact O-CA 3.33Å; L471-Q492 WeakPolarHBondContact O-CB 3.41Å; L471-Q492 PolarHBondContact O-N 3.18Å; T472-Q492 HydrophobicContact CG2-CB 4.12Å; Q492-N514 PolarHBondContact N-OD1 3.42Å
493	L	97.7	Very high	97.1	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	16%	0.159	C	C	.	.			trans	-69.6	132.9	-178.1	-58.9	176	0	0	0	110	L471 L474 L488 N491 N514 S515 I516	L471-L493 HydrophobicContact CB-CD2 4.08Å; L471-L493 PolarHBondContact O-N 2.84Å; L474-L493 HydrophobicContact CD1-CD1 4.32Å; L474-L493 HydrophobicContact CD2-CD1 4.1Å; L474-L493 HydrophobicContact CD2-CD2 4.19Å; L474-L493 HydrophobicContact CG-CD1 4.23Å; L474-L493 HydrophobicContact CG-CD2 4.03Å; L488-L493 HydrophobicContact CB-CD1 4.01Å; L488-L493 HydrophobicContact CD1-CD1 4.02Å; N491-L493 HydrophobicContact CB-CG 4.26Å; L493-N514 HydrophobicContact CB-CB 4.43Å; L493-N514 VanDerWaalsContact CB-OD1 3.28Å; L493-N514 WeakPolarHBondContact CB-OD1 3.43Å; L493-N514 WeakPolarHBondContact CG-OD1 3.21Å; L493-N514 PolarHBondContact N-OD1 3.15Å; L493-S515 CarbonylContact O-C 3.54Å; L493-S515 VanDerWaalsContact O-CA 3.27Å; L493-S515 WeakPolarHBondContact O-CA 3.42Å; L493-S515 PolarHBondContact O-N 3.35Å; L493-I516 HydrophobicContact CB-CG1 4.3Å; L493-I516 PolarHBondContact O-N 2.63Å; L493-I516 VanDerWaalsContact O-N 3.12Å
494	R	96.6	Very high	97	Very high	171 Å²	171	34.3 Å²	34.3	65%	0.645	16%	0.159	S	C	*	.			trans	-97	-16	177.3	-66.6	-178.3	-179.5	-123.4	3.8	114.5	S515 I516 E517	R494-S515 WeakPolarHBondContact CA-O 3.3Å; R494-I516 WeakPolarHBondContact O-CA 3.04Å; R494-E517 PolarHBondContact O-N 3.07Å
495	R	95.8	Very high	97	Very high	143 Å²	143	33.6 Å²	33.6	54%	0.54	15%	0.154	S	C	.	.	B	Isolated β-bridge	trans	-160.8	157.9	-177.1	58.8	-179.9	176.2	172.3	-1.5	110.3
496	L	95.4	Very high	97	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.139	C	C	.	.			trans	-95.4	110	159.4	-61.5	-178.7	0	0	0	107.5	L474 L488 F500 I516 N518 L519 G521 V522	L474-L496 HydrophobicContact CD1-CD2 4.1Å; L488-L496 HydrophobicContact CD1-CD2 4.07Å; L496-F500 HydrophobicContact CB-CG 4.43Å; L496-F500 HydrophobicContact CD1-CE1 4.38Å; L496-F500 HydrophobicContact CD1-CZ 4.45Å; L496-F500 HydrophobicContact CD2-CD2 4.39Å; L496-F500 HydrophobicContact CD2-CE2 4.2Å; L496-I516 HydrophobicContact CD2-CD1 4.26Å; L496-I516 HydrophobicContact CG-CD1 4.29Å; L496-N518 PolarHBondContact N-O 3.31Å; L496-L519 HydrophobicContact CD1-CD2 3.95Å; L496-L519 HydrophobicContact CG-CD2 4.39Å; L496-G521 WeakPolarHBondContact O-CA 3.48Å; L496-G521 PolarHBondContact O-N 2.72Å; L496-V522 HydrophobicContact CB-CG2 4.22Å; L496-V522 HydrophobicContact CD1-CG2 3.42Å; L496-V522 VanDerWaalsContact CD1-CG2 3.42Å; L496-V522 HydrophobicContact CG-CG2 4.44Å
497	P	94.1	Very high	97	Very high	16 Å²	16	32.7 Å²	32.7	10%	0.104	15%	0.15	C	C	.	.			trans	-72.5	159	-169.2	32.8	-37.1	0	0	0	111.4	L474 L477 Q499 F500 G521	L474-P497 HydrophobicContact CB-CG 4.44Å; L477-P497 HydrophobicContact CD1-CG 3.97Å; P497-Q499 PolarHBondContact O-N 3.01Å; P497-F500 WeakPolarHBondContact O-CB 3.49Å; P497-F500 PolarHBondContact O-N 3.27Å; P497-G521 WeakPolarHBondContact O-CA 3.41Å
498	P	93.8	Very high	97	Very high	16 Å²	16	32 Å²	32	10%	0.104	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-50.8	-28	-179.3	-33	39.3	0	0	0	115.6	F312 F500 A501 E520	F312-P498 HydrophobicContact CE1-CB 4.05Å; F312-P498 HydrophobicContact CZ-CB 3.59Å; P498-F500 PolarHBondContact O-N 3.35Å; P498-A501 WeakPolarHBondContact O-CB 3.28Å; P498-A501 PolarHBondContact O-N 3.17Å; P498-E520 VanDerWaalsContact CG-CD 3.46Å; P498-E520 HydrophobicContact CG-CG 4.03Å; P498-E520 WeakPolarHBondContact CG-OE1 3.5Å
499	Q	94.9	Very high	97	Very high	81 Å²	81	32 Å²	32	38%	0.379	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-65.1	-15.4	175.6	-65.6	76.9	15.3	0	0	113.4	F312 L477 P497 A501 M502	F312-Q499 HydrophobicContact CE2-CG 4.49Å; F312-Q499 HydrophobicContact CZ-CG 4.03Å; L477-Q499 HydrophobicContact CB-CB 4.44Å; L477-Q499 HydrophobicContact CD1-CB 3.99Å; P497-Q499 PolarHBondContact O-N 3.01Å; Q499-A501 PolarHBondContact O-N 3.09Å; Q499-M502 HydrophobicContact CB-CE 3.86Å; Q499-M502 HydrophobicContact CB-SD 4.13Å; Q499-M502 HydrophobicContact CG-CE 3.78Å; Q499-M502 VanDerWaalsContact O-CB 3.24Å; Q499-M502 WeakPolarHBondContact O-CB 3.39Å; Q499-M502 WeakPolarHBondContact O-CG 3.46Å; Q499-M502 PolarHBondContact O-N 3.17Å; Q499-M502 VanDerWaalsContact O-N 3.08Å
500	F	95.8	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-64.2	-22.7	175.6	-157.6	-93	0	0	0	112.7	L474 L477 I486 L488 L496 P497 P498 M502 L503 L506 V509 G521 V522 L525	L474-F500 HydrophobicContact CD1-CD2 4.11Å; L474-F500 HydrophobicContact CD1-CE2 4.26Å; L477-F500 HydrophobicContact CD1-CB 4.21Å; L477-F500 HydrophobicContact CD1-CD2 4.12Å; L477-F500 HydrophobicContact CD2-CD2 4.31Å; I486-F500 HydrophobicContact CD1-CE2 3.98Å; I486-F500 HydrophobicContact CD1-CZ 4.23Å; I486-F500 HydrophobicContact CG2-CZ 3.95Å; L488-F500 HydrophobicContact CD1-CE2 4.02Å; L496-F500 HydrophobicContact CB-CG 4.43Å; L496-F500 HydrophobicContact CD1-CE1 4.38Å; L496-F500 HydrophobicContact CD1-CZ 4.45Å; L496-F500 HydrophobicContact CD2-CD2 4.39Å; L496-F500 HydrophobicContact CD2-CE2 4.2Å; P497-F500 WeakPolarHBondContact O-CB 3.49Å; P497-F500 PolarHBondContact O-N 3.27Å; P498-F500 PolarHBondContact O-N 3.35Å; F500-M502 PolarHBondContact O-N 3.19Å; F500-L503 HydrophobicContact CE2-CD2 4.29Å; F500-L503 HydrophobicContact CZ-CD2 4.26Å; F500-L503 WeakPolarHBondContact O-CD1 3.37Å; F500-L503 PolarHBondContact O-N 3.31Å; F500-L506 HydrophobicContact CE1-CD2 3.6Å; F500-L506 HydrophobicContact CZ-CD2 3.96Å; F500-V509 HydrophobicContact CE1-CG2 4.07Å; F500-V509 HydrophobicContact CZ-CG1 4.42Å; F500-V509 HydrophobicContact CZ-CG2 4.21Å; F500-G521 CarbonylContact C-O 3.04Å; F500-V522 HydrophobicContact CD1-CG2 4.37Å; F500-L525 HydrophobicContact CD1-CD1 4.18Å; F500-L525 HydrophobicContact CE1-CD1 4.25Å
501	A	95.8	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-61.5	-11.7	171.5	0	0	0	0	0	113.3	V308 H309 P498 Q499 L503 Q504 G521 Y523	V308-A501 HydrophobicContact CB-CB 4.35Å; V308-A501 HydrophobicContact CG2-CB 4.17Å; H309-A501 HydrophobicContact CB-CB 4.41Å; P498-A501 WeakPolarHBondContact O-CB 3.28Å; P498-A501 PolarHBondContact O-N 3.17Å; Q499-A501 PolarHBondContact O-N 3.09Å; A501-L503 VanDerWaalsContact C-N 3.25Å; A501-L503 PolarHBondContact O-N 3.25Å; A501-Q504 PolarHBondContact O-NE2 3.37Å; A501-G521 PolarHBondContact N-O 2.64Å; A501-G521 VanDerWaalsContact N-O 3.09Å; A501-Y523 WeakPolarHBondContact CB-O 3.43Å
502	M	96.4	Very high	97	Very high	6 Å²	6	34 Å²	34	3%	0.03	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-70	-18.5	177.1	-65.9	171.3	-171.3	0	0	113.6	V308 F312 P316 V317 D478 L481 Q499 F500 Q504	V308-M502 HydrophobicContact CG2-CG 4.11Å; F312-M502 HydrophobicContact CE2-CE 4.01Å; P316-M502 VanDerWaalsContact CD-CE 3.41Å; P316-M502 HydrophobicContact CG-CE 3.27Å; P316-M502 HydrophobicContact CG-SD 3.51Å; P316-M502 VanDerWaalsContact CG-SD 3.51Å; V317-M502 HydrophobicContact CB-CB 4.44Å; V317-M502 HydrophobicContact CB-CG 4.19Å; V317-M502 HydrophobicContact CG2-CB 3.88Å; V317-M502 HydrophobicContact CG2-CG 3.88Å; V317-M502 HydrophobicContact CG2-SD 4.44Å; D478-M502 HydrophobicContact CB-SD 3.94Å; L481-M502 VanDerWaalsContact CD1-O 3.26Å; L481-M502 WeakPolarHBondContact CD1-O 3.37Å; Q499-M502 HydrophobicContact CB-CE 3.86Å; Q499-M502 HydrophobicContact CB-SD 4.13Å; Q499-M502 HydrophobicContact CG-CE 3.78Å; Q499-M502 VanDerWaalsContact O-CB 3.24Å; Q499-M502 WeakPolarHBondContact O-CB 3.39Å; Q499-M502 WeakPolarHBondContact O-CG 3.46Å; Q499-M502 PolarHBondContact O-N 3.17Å; Q499-M502 VanDerWaalsContact O-N 3.08Å; F500-M502 PolarHBondContact O-N 3.19Å; M502-Q504 VanDerWaalsContact C-N 3.26Å; M502-Q504 PolarHBondContact O-N 3.32Å
503	L	97.6	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.147	C	C	.	.			trans	-82	65.8	-175.2	-73.7	65.8	0	0	0	111.2	L477 L480 I486 F500 A501 C505 L506 L525	L477-L503 HydrophobicContact CB-CD1 3.99Å; L477-L503 HydrophobicContact CD2-CD1 4.27Å; L480-L503 HydrophobicContact CB-CD1 3.99Å; L480-L503 HydrophobicContact CB-CD2 4.15Å; L480-L503 HydrophobicContact CB-CG 3.78Å; L480-L503 HydrophobicContact CD1-CD2 4.42Å; I486-L503 HydrophobicContact CD1-CD2 3.93Å; F500-L503 HydrophobicContact CE2-CD2 4.29Å; F500-L503 HydrophobicContact CZ-CD2 4.26Å; F500-L503 WeakPolarHBondContact O-CD1 3.37Å; F500-L503 PolarHBondContact O-N 3.31Å; A501-L503 VanDerWaalsContact C-N 3.25Å; A501-L503 PolarHBondContact O-N 3.25Å; L503-C505 PolarHBondContact O-N 3Å; L503-C505 VanDerWaalsContact O-N 3.11Å; L503-L506 HydrophobicContact CB-CB 3.96Å; L503-L506 HydrophobicContact CB-CD2 4.1Å; L503-L506 HydrophobicContact CD2-CD1 4.29Å; L503-L506 HydrophobicContact CD2-CD2 3.89Å; L503-L506 WeakPolarHBondContact O-CB 3.18Å; L503-L506 PolarHBondContact O-N 2.75Å; L503-L525 WeakPolarHBondContact O-CD2 3.41Å
504	Q	96.7	Very high	97.1	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.4	-170.9	-67.8	-67.5	-65.7	0	0	114.7	V308 I319 L481 A501 M502 H524	V308-Q504 HydrophobicContact CG1-CG 4.06Å; I319-Q504 HydrophobicContact CG2-CG 4.18Å; L481-Q504 HydrophobicContact CD1-CB 3.85Å; L481-Q504 HydrophobicContact CD1-CG 3.98Å; A501-Q504 PolarHBondContact O-NE2 3.37Å; M502-Q504 VanDerWaalsContact C-N 3.26Å; M502-Q504 PolarHBondContact O-N 3.32Å; Q504-H524 PolarHBondContact NE2-O 3.3Å
505	C	98.1	Very high	97.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.5	174.5	-65.5	0	0	0	0	114.6	Y269 L481 V483 T484 L503 E507	Y269-C505 WeakPolarHBondContact CE2-SG 3.47Å; L481-C505 WeakPolarHBondContact O-CB 3.39Å; L481-C505 PolarHBondContact O-N 3.43Å; L481-C505 PolarHBondContact O-SG 3.06Å; V483-C505 CarbonylContact O-C 3.55Å; T484-C505 WeakPolarHBondContact CA-O 3.36Å; L503-C505 PolarHBondContact O-N 3Å; L503-C505 VanDerWaalsContact O-N 3.11Å; C505-E507 PolarHBondContact O-N 3.08Å
506	L	98.6	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.			trans	-71.4	128.4	-170.1	-167.2	64	0	0	0	112.4	V483 I486 F500 L503 V509 L525 K527 L528	V483-L506 HydrophobicContact CG1-CD1 4.13Å; V483-L506 VanDerWaalsContact O-CA 3.31Å; V483-L506 WeakPolarHBondContact O-CA 3.18Å; V483-L506 PolarHBondContact O-N 3.19Å; I486-L506 HydrophobicContact CB-CD1 3.91Å; I486-L506 HydrophobicContact CG2-CD1 3.75Å; I486-L506 HydrophobicContact CG2-CD2 4.08Å; I486-L506 HydrophobicContact CG2-CG 4.48Å; F500-L506 HydrophobicContact CE1-CD2 3.6Å; F500-L506 HydrophobicContact CZ-CD2 3.96Å; L503-L506 HydrophobicContact CB-CB 3.96Å; L503-L506 HydrophobicContact CB-CD2 4.1Å; L503-L506 HydrophobicContact CD2-CD1 4.29Å; L503-L506 HydrophobicContact CD2-CD2 3.89Å; L503-L506 WeakPolarHBondContact O-CB 3.18Å; L503-L506 PolarHBondContact O-N 2.75Å; L506-V509 HydrophobicContact CD1-CG2 4.47Å; L506-V509 HydrophobicContact CD2-CG2 3.31Å; L506-V509 HydrophobicContact CG-CG2 3.91Å; L506-L525 HydrophobicContact CD2-CD1 4.01Å; L506-K527 CarbonylContact O-C 3.25Å; L506-K527 WeakPolarHBondContact O-CB 3.34Å; L506-L528 HydrophobicContact CD2-CD1 4.44Å; L506-L528 HydrophobicContact CG-CD1 4.29Å; L506-L528 WeakPolarHBondContact O-CA 3.32Å; L506-L528 PolarHBondContact O-N 3.27Å
507	E	98.6	Very high	97.3	Very high	54 Å²	54	24.5 Å²	24.5	25%	0.252	13%	0.127	S	C	.	.			trans	-110.7	-40.8	-178.9	-67.2	165.8	-174.8	0	0	111	T484 H485 C505 K527 E529 E530	T484-E507 WeakPolarHBondContact O-CA 3.33Å; T484-E507 WeakPolarHBondContact O-CB 3.49Å; T484-E507 PolarHBondContact O-N 3.41Å; H485-E507 IonicContact CE1-OE2 3.66Å; C505-E507 PolarHBondContact O-N 3.08Å; E507-K527 WeakPolarHBondContact CA-O 3.44Å; E507-K527 HydrophobicContact CG-CB 4.05Å; E507-E529 PolarHBondContact O-N 2.55Å; E507-E530 PolarHBondContact O-N 3.49Å
508	V	98.8	Very high	97.1	Very high	18 Å²	18	26.1 Å²	26.1	11%	0.109	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.4	-175.8	-179.2	0	0	0	0	111.3	T484 H485 I486 E510 E530	T484-V508 PolarHBondContact O-N 2.87Å; H485-V508 WeakPolarHBondContact NE2-CG2 3.17Å; I486-V508 PolarHBondContact N-O 3.05Å; V508-E510 HydrophobicContact CG1-CG 4.3Å; V508-E530 WeakPolarHBondContact CA-O 3.47Å; V508-E530 HydrophobicContact CG1-CB 4.29Å; V508-E530 HydrophobicContact CG2-CB 4.23Å; V508-E530 HydrophobicContact CG2-CG 4.38Å
509	V	98.6	Very high	97	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116	171.8	178.2	0	0	0	0	110.1	I486 F500 L506 A511 L528 E530 V531 S532	I486-V509 HydrophobicContact CG2-CB 4.15Å; I486-V509 HydrophobicContact CG2-CG1 4.11Å; I486-V509 HydrophobicContact CG2-CG2 3.77Å; F500-V509 HydrophobicContact CE1-CG2 4.07Å; F500-V509 HydrophobicContact CZ-CG1 4.42Å; F500-V509 HydrophobicContact CZ-CG2 4.21Å; L506-V509 HydrophobicContact CD1-CG2 4.47Å; L506-V509 HydrophobicContact CD2-CG2 3.31Å; L506-V509 HydrophobicContact CG-CG2 3.91Å; V509-A511 HydrophobicContact CG1-CB 4.29Å; V509-L528 HydrophobicContact CB-CD1 4.37Å; V509-L528 HydrophobicContact CG2-CD1 3.59Å; V509-E530 PolarHBondContact N-O 3.43Å; V509-V531 HydrophobicContact CB-CG2 4.45Å; V509-V531 CarbonylContact O-C 3.56Å; V509-V531 WeakPolarHBondContact O-CA 3.45Å; V509-S532 PolarHBondContact O-N 3.22Å
510	E	98.8	Very high	96.6	Very high	82 Å²	82	25.5 Å²	25.5	38%	0.383	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.5	167.8	-63.7	175.5	-175.8	0	0	108.8	I486 N487 L488 V508	I486-E510 PolarHBondContact O-N 2.79Å; N487-E510 CarbonylContact C-O 3.6Å; N487-E510 WeakPolarHBondContact CA-O 3.28Å; N487-E510 HydrophobicContact CB-CB 4.16Å; N487-E510 PolarHBondContact ND2-OE2 2.73Å; L488-E510 PolarHBondContact N-O 3.47Å; V508-E510 HydrophobicContact CG1-CG 4.3Å
511	A	98.4	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.			trans	-132.9	36.2	-179.9	0	0	0	0	0	111.6	L488 V509 N514 I516 S532 L533 N536	L488-A511 HydrophobicContact CB-CB 4.43Å; V509-A511 HydrophobicContact CG1-CB 4.29Å; A511-N514 PolarHBondContact O-ND2 2.87Å; A511-I516 HydrophobicContact CB-CD1 3.78Å; A511-S532 PolarHBondContact N-O 3.43Å; A511-L533 HydrophobicContact CB-CD2 4Å; A511-N536 PolarHBondContact O-ND2 3.34Å
512	D	98.7	Very high	96.1	Very high	29 Å²	29	25.6 Å²	25.6	16%	0.155	13%	0.131	C	C	.	.			trans	-64	157.5	-178.8	-66.3	-8.5	0	0	0	112	S489 S490 N514 S532 L533 K534	S489-D512 CarbonylContact C-O 3.34Å; S489-D512 WeakPolarHBondContact CA-O 3.22Å; S489-D512 PolarHBondContact OG-N 2.89Å; S490-D512 PolarHBondContact N-O 3.22Å; D512-N514 VanDerWaalsContact C-N 3.35Å; D512-N514 PolarHBondContact O-N 3.4Å; D512-N514 PolarHBondContact O-ND2 3.2Å; D512-S532 VanDerWaalsContact CG-OG 3.32Å; D512-S532 VanDerWaalsContact OD1-C 3.23Å; D512-S532 WeakPolarHBondContact OD1-CB 3.43Å; D512-S532 PolarHBondContact OD1-OG 3.08Å; D512-S532 PolarHBondContact OD2-OG 2.92Å; D512-L533 PolarHBondContact OD1-N 3.43Å; D512-K534 CarbonylContact C-O 3.48Å; D512-K534 VanDerWaalsContact CA-O 3.25Å; D512-K534 WeakPolarHBondContact CA-O 3.48Å; D512-K534 HydrophobicContact CB-CB 4.13Å; D512-K534 WeakPolarHBondContact OD1-CB 3.42Å; D512-K534 PolarHBondContact OD1-N 3.48Å
513	N	98.7	Very high	95.9	Very high	67 Å²	67	28.3 Å²	28.3	36%	0.358	14%	0.141	S	C	.	.	S	Bend	trans	52	51.1	172.3	-47.8	-66	0	0	0	112.4	S490 N491 K534 N535	S490-N513 WeakPolarHBondContact CA-O 3.44Å; N491-N513 PolarHBondContact N-O 3.15Å; N513-K534 PolarHBondContact N-O 3.24Å; N513-N535 WeakPolarHBondContact OD1-CB 3.31Å; N513-N535 PolarHBondContact OD1-ND2 3.44Å
514	N	98.7	Very high	95.6	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.043	16%	0.16	C	C	.	.	S	Bend	trans	-119.4	-165.1	173.7	-87.3	-86.4	0	0	0	109.7	L488 N491 Q492 L493 A511 D512 I516 N536	L488-N514 PolarHBondContact O-ND2 3.47Å; N491-N514 VanDerWaalsContact CA-OD1 3.31Å; N491-N514 WeakPolarHBondContact CA-OD1 3.37Å; N491-N514 WeakPolarHBondContact CB-OD1 3.17Å; N491-N514 PolarHBondContact O-OD1 2.89Å; Q492-N514 PolarHBondContact N-OD1 3.42Å; L493-N514 HydrophobicContact CB-CB 4.43Å; L493-N514 VanDerWaalsContact CB-OD1 3.28Å; L493-N514 WeakPolarHBondContact CB-OD1 3.43Å; L493-N514 WeakPolarHBondContact CG-OD1 3.21Å; L493-N514 PolarHBondContact N-OD1 3.15Å; A511-N514 PolarHBondContact O-ND2 2.87Å; D512-N514 VanDerWaalsContact C-N 3.35Å; D512-N514 PolarHBondContact O-N 3.4Å; D512-N514 PolarHBondContact O-ND2 3.2Å; N514-I516 HydrophobicContact CB-CD1 4.07Å; N514-I516 HydrophobicContact CB-CG1 3.96Å; N514-N536 VanDerWaalsContact CA-OD1 3.27Å; N514-N536 WeakPolarHBondContact CA-OD1 3.49Å; N514-N536 WeakPolarHBondContact CB-OD1 3.45Å; N514-N536 PolarHBondContact N-OD1 3.04Å; N514-N536 PolarHBondContact O-OD1 3.26Å
515	S	98.1	Very high	95.6	Very high	46 Å²	46	32.3 Å²	32.3	32%	0.322	16%	0.16	S	C	.	.			trans	-117	32.5	172.2	-62.7	0	0	0	0	111.4	L493 R494 E517 N536	L493-S515 CarbonylContact O-C 3.54Å; L493-S515 VanDerWaalsContact O-CA 3.27Å; L493-S515 WeakPolarHBondContact O-CA 3.42Å; L493-S515 PolarHBondContact O-N 3.35Å; R494-S515 WeakPolarHBondContact CA-O 3.3Å; S515-E517 PolarHBondContact O-N 2.98Å; S515-N536 PolarHBondContact N-OD1 3Å
516	I	98.1	Very high	95.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.			trans	-66.8	122.7	-173.3	-64.6	166.6	0	0	0	109.6	L493 R494 L496 A511 N514 N518 L519 L533 N536 K537 I538	L493-I516 HydrophobicContact CB-CG1 4.3Å; L493-I516 PolarHBondContact O-N 2.63Å; L493-I516 VanDerWaalsContact O-N 3.12Å; R494-I516 WeakPolarHBondContact O-CA 3.04Å; L496-I516 HydrophobicContact CD2-CD1 4.26Å; L496-I516 HydrophobicContact CG-CD1 4.29Å; A511-I516 HydrophobicContact CB-CD1 3.78Å; N514-I516 HydrophobicContact CB-CD1 4.07Å; N514-I516 HydrophobicContact CB-CG1 3.96Å; I516-N518 WeakPolarHBondContact CG2-O 3.31Å; I516-L519 HydrophobicContact CG2-CD2 3.83Å; I516-L533 HydrophobicContact CD1-CD2 4.05Å; I516-N536 HydrophobicContact CB-CB 4.25Å; I516-N536 VanDerWaalsContact CB-OD1 3.29Å; I516-N536 WeakPolarHBondContact CB-OD1 3.37Å; I516-N536 WeakPolarHBondContact CG1-OD1 3.31Å; I516-N536 PolarHBondContact N-OD1 2.95Å; I516-K537 CarbonylContact O-C 3.44Å; I516-K537 VanDerWaalsContact O-C 3.25Å; I516-K537 WeakPolarHBondContact O-CA 3.46Å; I516-K537 PolarHBondContact O-N 2.85Å; I516-I538 PolarHBondContact O-N 2.82Å
517	E	96.4	Very high	95.4	Very high	88 Å²	88	33.2 Å²	33.2	41%	0.411	17%	0.165	S	C	.	.			trans	-101.5	-29.6	178	-67.5	169.7	-154.1	0	0	111.4	R494 S515 K537 D543	R494-E517 PolarHBondContact O-N 3.07Å; S515-E517 PolarHBondContact O-N 2.98Å; E517-K537 HydrophobicContact CG-CB 3.82Å; E517-D543 WeakPolarHBondContact O-CB 3.4Å; E517-D543 VanDerWaalsContact O-CG 3.27Å
518	N	88.9	Confident	95.4	Very high	51 Å²	51	30.7 Å²	30.7	27%	0.273	15%	0.153	S	C	.	.	B	Isolated β-bridge	trans	-146.7	156.7	-180	62.1	72.2	0	0	0	113.3	L496 I516	L496-N518 PolarHBondContact N-O 3.31Å; I516-N518 WeakPolarHBondContact CG2-O 3.31Å
519	L	92.1	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.			trans	-114.7	32.1	-175.3	-57	176.7	0	0	0	113.2	L496 I516 G521 V522 L533 I538 D543 L544 P546 L547	L496-L519 HydrophobicContact CD1-CD2 3.95Å; L496-L519 HydrophobicContact CG-CD2 4.39Å; I516-L519 HydrophobicContact CG2-CD2 3.83Å; L519-G521 PolarHBondContact O-N 3.2Å; L519-V522 HydrophobicContact CB-CB 4.3Å; L519-V522 HydrophobicContact CB-CG2 4.04Å; L519-V522 HydrophobicContact CD2-CG2 4.32Å; L519-V522 PolarHBondContact O-N 3.09Å; L519-L533 HydrophobicContact CD1-CD1 3.48Å; L519-L533 VanDerWaalsContact CD1-CD1 3.48Å; L519-L533 HydrophobicContact CD2-CD1 3.79Å; L519-L533 HydrophobicContact CD2-CD2 3.8Å; L519-L533 HydrophobicContact CD2-CG 4.47Å; L519-L533 HydrophobicContact CG-CD1 4.23Å; L519-I538 HydrophobicContact CD1-CD1 4.46Å; L519-D543 PolarHBondContact N-O 3.44Å; L519-L544 HydrophobicContact CD1-CD2 3.59Å; L519-P546 VanDerWaalsContact O-CB 3.25Å; L519-P546 WeakPolarHBondContact O-CB 3.48Å; L519-P546 WeakPolarHBondContact O-CG 3.44Å; L519-L547 HydrophobicContact CD1-CD1 3.81Å; L519-L547 HydrophobicContact CD1-CD2 4.15Å; L519-L547 HydrophobicContact CD1-CG 3.9Å
520	E	87.4	Confident	95.3	Very high	84 Å²	84	36.7 Å²	36.7	39%	0.393	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-37.3	-176	-167.8	-172.1	172.2	0	0	112.8	P498 V522	P498-E520 VanDerWaalsContact CG-CD 3.46Å; P498-E520 HydrophobicContact CG-CG 4.03Å; P498-E520 WeakPolarHBondContact CG-OE1 3.5Å; E520-V522 PolarHBondContact O-N 2.98Å
521	G	87.8	Confident	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.5	178.3	0	0	0	0	0	116.7	L496 P497 F500 A501 L519 Y523	L496-G521 WeakPolarHBondContact O-CA 3.48Å; L496-G521 PolarHBondContact O-N 2.72Å; P497-G521 WeakPolarHBondContact O-CA 3.41Å; F500-G521 CarbonylContact C-O 3.04Å; A501-G521 PolarHBondContact N-O 2.64Å; A501-G521 VanDerWaalsContact N-O 3.09Å; L519-G521 PolarHBondContact O-N 3.2Å; G521-Y523 PolarHBondContact O-N 3.02Å
522	V	93.9	Very high	95.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.171	C	C	.	.			trans	-86.1	59.6	178.7	-164.4	0	0	0	0	108.8	L496 F500 L519 E520 L525 L528 P546 L547	L496-V522 HydrophobicContact CB-CG2 4.22Å; L496-V522 HydrophobicContact CD1-CG2 3.42Å; L496-V522 VanDerWaalsContact CD1-CG2 3.42Å; L496-V522 HydrophobicContact CG-CG2 4.44Å; F500-V522 HydrophobicContact CD1-CG2 4.37Å; L519-V522 HydrophobicContact CB-CB 4.3Å; L519-V522 HydrophobicContact CB-CG2 4.04Å; L519-V522 HydrophobicContact CD2-CG2 4.32Å; L519-V522 PolarHBondContact O-N 3.09Å; E520-V522 PolarHBondContact O-N 2.98Å; V522-L525 HydrophobicContact CG1-CD1 3.95Å; V522-L528 HydrophobicContact CG1-CD2 3.5Å; V522-L528 VanDerWaalsContact CG1-CD2 3.5Å; V522-P546 CarbonylContact O-C 3.59Å; V522-P546 WeakPolarHBondContact O-CB 3.39Å; V522-P546 VanDerWaalsContact O-O 3.12Å; V522-L547 HydrophobicContact CB-CD2 4.14Å; V522-L547 HydrophobicContact CG1-CD2 3.56Å
523	Y	90.3	Very high	95.3	Very high	63 Å²	63	32.7 Å²	32.7	25%	0.247	16%	0.163	C	C	.	.			trans	-119.5	129.1	-174.3	179	-96.3	0	0	0	110.2	H309 P310 A501 G521 L525 S549	H309-Y523 AromaticContact CD2-CD1 3.66Å; P310-Y523 HydrophobicContact CG-CE1 4.18Å; A501-Y523 WeakPolarHBondContact CB-O 3.43Å; G521-Y523 PolarHBondContact O-N 3.02Å; Y523-L525 VanDerWaalsContact C-N 3.31Å; Y523-L525 PolarHBondContact O-N 3.44Å; Y523-S549 WeakPolarHBondContact CA-OG 3.41Å
524	H	91.7	Very high	95.3	Very high	86 Å²	86	32.8 Å²	32.8	40%	0.398	16%	0.16	S	C	.	.	S	Bend	trans	46.3	49.2	179.9	-75.9	-39.5	0	0	0	114.2	Q504 P526 S549	Q504-H524 PolarHBondContact NE2-O 3.3Å; H524-P526 VanDerWaalsContact O-CD 3.3Å; H524-P526 WeakPolarHBondContact O-CD 3.23Å; H524-S549 PolarHBondContact N-OG 3.32Å; H524-S549 PolarHBondContact ND1-O 2.85Å; H524-S549 VanDerWaalsContact ND1-O 3.1Å
525	L	96.4	Very high	95.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.			trans	-88.2	102.2	168.5	-63.8	-179.7	0	0	0	108.6	F500 L503 L506 V522 Y523 K527 L528	F500-L525 HydrophobicContact CD1-CD1 4.18Å; F500-L525 HydrophobicContact CE1-CD1 4.25Å; L503-L525 WeakPolarHBondContact O-CD2 3.41Å; L506-L525 HydrophobicContact CD2-CD1 4.01Å; V522-L525 HydrophobicContact CG1-CD1 3.95Å; Y523-L525 VanDerWaalsContact C-N 3.31Å; Y523-L525 PolarHBondContact O-N 3.44Å; L525-K527 PolarHBondContact O-N 3.22Å; L525-L528 HydrophobicContact CB-CB 3.84Å; L525-L528 HydrophobicContact CB-CD2 4.39Å; L525-L528 HydrophobicContact CD1-CD2 4.14Å; L525-L528 PolarHBondContact O-N 3Å
526	P	95.2	Very high	95.3	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.065	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.5	-162.6	35.6	-39.6	0	0	0	113.1	Q274 H524	Q274-P526 VanDerWaalsContact NE2-C 3.27Å; Q274-P526 VanDerWaalsContact NE2-CB 3.27Å; Q274-P526 PolarHBondContact NE2-O 3.2Å; Q274-P526 VanDerWaalsContact NE2-O 3.14Å; H524-P526 VanDerWaalsContact O-CD 3.3Å; H524-P526 WeakPolarHBondContact O-CD 3.23Å
527	K	97.4	Very high	95.3	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.043	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-4.9	177.7	-67.4	-158.4	179	-165.6	0	114.4	Y269 E357 L506 E507 L525 E529	Y269-K527 VanDerWaalsContact OH-CE 3.22Å; Y269-K527 WeakPolarHBondContact OH-CE 3.49Å; Y269-K527 PolarHBondContact OH-NZ 3.35Å; E357-K527 IonicContact OE2-NZ 3Å; E357-K527 PolarHBondContact OE2-NZ 2.95Å; L506-K527 CarbonylContact O-C 3.25Å; L506-K527 WeakPolarHBondContact O-CB 3.34Å; E507-K527 WeakPolarHBondContact CA-O 3.44Å; E507-K527 HydrophobicContact CG-CB 4.05Å; L525-K527 PolarHBondContact O-N 3.22Å; K527-E529 VanDerWaalsContact O-CG 3.3Å; K527-E529 WeakPolarHBondContact O-CG 3.4Å; K527-E529 PolarHBondContact O-N 2.84Å
528	L	98.3	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.			trans	-68.6	121.3	-170.2	-174.1	70.8	0	0	0	111.1	L506 V509 V522 L525 V531 C550 K552 L553	L506-L528 HydrophobicContact CD2-CD1 4.44Å; L506-L528 HydrophobicContact CG-CD1 4.29Å; L506-L528 WeakPolarHBondContact O-CA 3.32Å; L506-L528 PolarHBondContact O-N 3.27Å; V509-L528 HydrophobicContact CB-CD1 4.37Å; V509-L528 HydrophobicContact CG2-CD1 3.59Å; V522-L528 HydrophobicContact CG1-CD2 3.5Å; V522-L528 VanDerWaalsContact CG1-CD2 3.5Å; L525-L528 HydrophobicContact CB-CB 3.84Å; L525-L528 HydrophobicContact CB-CD2 4.39Å; L525-L528 HydrophobicContact CD1-CD2 4.14Å; L525-L528 PolarHBondContact O-N 3Å; L528-V531 HydrophobicContact CD1-CG2 4Å; L528-V531 HydrophobicContact CD2-CG2 3.51Å; L528-V531 HydrophobicContact CG-CG2 3.88Å; L528-C550 HydrophobicContact CB-CB 4.45Å; L528-C550 HydrophobicContact CD2-CB 4.3Å; L528-K552 CarbonylContact O-C 3.58Å; L528-K552 WeakPolarHBondContact O-CB 3.42Å; L528-L553 HydrophobicContact CD2-CD1 4.38Å; L528-L553 HydrophobicContact CG-CD1 4.3Å; L528-L553 VanDerWaalsContact O-CA 3.32Å; L528-L553 WeakPolarHBondContact O-CA 3.44Å; L528-L553 PolarHBondContact O-N 3.2Å
529	E	98.3	Very high	95.7	Very high	72 Å²	72	35.2 Å²	35.2	34%	0.336	17%	0.172	S	C	.	.			trans	-112.7	-38.5	-177.1	-57.1	-164.9	166.9	0	0	112.2	E507 K527 K552 R554 R555	E507-E529 PolarHBondContact O-N 2.55Å; K527-E529 VanDerWaalsContact O-CG 3.3Å; K527-E529 WeakPolarHBondContact O-CG 3.4Å; K527-E529 PolarHBondContact O-N 2.84Å; E529-K552 HydrophobicContact CG-CB 4.31Å; E529-R554 PolarHBondContact O-N 3.17Å; E529-R555 PolarHBondContact O-N 3.22Å
530	E	98.6	Very high	95.9	Very high	74 Å²	74	38.2 Å²	38.2	35%	0.346	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.4	-175.5	-50	-160.2	170.5	0	0	112.3	E507 V508 V509 R555	E507-E530 PolarHBondContact O-N 3.49Å; V508-E530 WeakPolarHBondContact CA-O 3.47Å; V508-E530 HydrophobicContact CG1-CB 4.29Å; V508-E530 HydrophobicContact CG2-CB 4.23Å; V508-E530 HydrophobicContact CG2-CG 4.38Å; V509-E530 PolarHBondContact N-O 3.43Å; E530-R555 HydrophobicContact CB-CB 4.15Å; E530-R555 HydrophobicContact CG-CB 3.92Å; E530-R555 IonicContact OE1-NH1 3.13Å; E530-R555 IonicContact OE2-NH1 2.73Å
531	V	98.6	Very high	96.1	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.4	174.8	176.5	0	0	0	0	109.7	V509 L528 L533 L547 L553 R555 L556 D557	V509-V531 HydrophobicContact CB-CG2 4.45Å; V509-V531 CarbonylContact O-C 3.56Å; V509-V531 WeakPolarHBondContact O-CA 3.45Å; L528-V531 HydrophobicContact CD1-CG2 4Å; L528-V531 HydrophobicContact CD2-CG2 3.51Å; L528-V531 HydrophobicContact CG-CG2 3.88Å; V531-L533 HydrophobicContact CG1-CD1 3.51Å; V531-L533 HydrophobicContact CG1-CG 3.71Å; V531-L547 HydrophobicContact CG2-CD2 4.28Å; V531-L553 HydrophobicContact CB-CD1 4.17Å; V531-L553 HydrophobicContact CG2-CD1 3.6Å; V531-R555 PolarHBondContact N-O 3.3Å; V531-L556 HydrophobicContact CB-CD1 4.03Å; V531-L556 HydrophobicContact CG1-CD1 3.99Å; V531-L556 WeakPolarHBondContact O-CA 3.01Å; V531-D557 PolarHBondContact O-N 2.65Å
532	S	98.6	Very high	96.4	Very high	23 Å²	23	39.1 Å²	39.1	16%	0.161	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122	170.8	-167.1	0	0	0	0	110.4	V509 A511 D512	V509-S532 PolarHBondContact O-N 3.22Å; A511-S532 PolarHBondContact N-O 3.43Å; D512-S532 VanDerWaalsContact CG-OG 3.32Å; D512-S532 VanDerWaalsContact OD1-C 3.23Å; D512-S532 WeakPolarHBondContact OD1-CB 3.43Å; D512-S532 PolarHBondContact OD1-OG 3.08Å; D512-S532 PolarHBondContact OD2-OG 2.92Å
533	L	98.4	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.			trans	-129.6	28.1	-177.1	-71.4	162.1	0	0	0	111	A511 D512 I516 L519 V531 N536 I538 L556 D557 L558 N561	A511-L533 HydrophobicContact CB-CD2 4Å; D512-L533 PolarHBondContact OD1-N 3.43Å; I516-L533 HydrophobicContact CD1-CD2 4.05Å; L519-L533 HydrophobicContact CD1-CD1 3.48Å; L519-L533 VanDerWaalsContact CD1-CD1 3.48Å; L519-L533 HydrophobicContact CD2-CD1 3.79Å; L519-L533 HydrophobicContact CD2-CD2 3.8Å; L519-L533 HydrophobicContact CD2-CG 4.47Å; L519-L533 HydrophobicContact CG-CD1 4.23Å; V531-L533 HydrophobicContact CG1-CD1 3.51Å; V531-L533 HydrophobicContact CG1-CG 3.71Å; L533-N536 VanDerWaalsContact C-ND2 3.33Å; L533-N536 WeakPolarHBondContact O-CB 3.4Å; L533-N536 PolarHBondContact O-ND2 3.45Å; L533-I538 HydrophobicContact CB-CD1 4.16Å; L533-I538 HydrophobicContact CD1-CD1 3.82Å; L533-I538 HydrophobicContact CG-CD1 4.41Å; L533-L556 HydrophobicContact CD1-CD1 4.46Å; L533-D557 CarbonylContact C-O 3.6Å; L533-D557 WeakPolarHBondContact CA-O 3.21Å; L533-D557 PolarHBondContact N-O 3.45Å; L533-L558 HydrophobicContact CB-CD2 4.24Å; L533-L558 HydrophobicContact CD1-CD2 4.2Å; L533-N561 PolarHBondContact O-ND2 2.9Å
534	K	98.4	Very high	96.6	Very high	69 Å²	69	38 Å²	38	30%	0.3	21%	0.205	S	C	.	.			trans	-55.8	141.4	-175.7	-177.1	-178.9	176	-178.6	0	111.2	D512 N513 N536 R559	D512-K534 CarbonylContact C-O 3.48Å; D512-K534 VanDerWaalsContact CA-O 3.25Å; D512-K534 WeakPolarHBondContact CA-O 3.48Å; D512-K534 HydrophobicContact CB-CB 4.13Å; D512-K534 WeakPolarHBondContact OD1-CB 3.42Å; D512-K534 PolarHBondContact OD1-N 3.48Å; N513-K534 PolarHBondContact N-O 3.24Å; K534-N536 PolarHBondContact O-ND2 3.09Å; K534-R559 CarbonylContact C-O 3.44Å; K534-R559 VanDerWaalsContact CA-O 3.25Å; K534-R559 WeakPolarHBondContact CA-O 3.37Å; K534-R559 HydrophobicContact CG-CB 4.16Å; K534-R559 WeakPolarHBondContact CG-O 3.34Å
535	N	98.5	Very high	96.7	Very high	68 Å²	68	39.4 Å²	39.4	36%	0.364	21%	0.212	S	C	.	.	S	Bend	trans	54.6	54.5	176.3	-58.9	-32.3	0	0	0	113.5	N513 R559	N513-N535 WeakPolarHBondContact OD1-CB 3.31Å; N513-N535 PolarHBondContact OD1-ND2 3.44Å; N535-R559 PolarHBondContact N-O 3.34Å
536	N	98.8	Very high	96.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.22	C	C	.	.			trans	-113.6	-161.2	173.6	-86	-74.1	0	0	0	111.3	A511 N514 S515 I516 L533 K534 I538 N561	A511-N536 PolarHBondContact O-ND2 3.34Å; N514-N536 VanDerWaalsContact CA-OD1 3.27Å; N514-N536 WeakPolarHBondContact CA-OD1 3.49Å; N514-N536 WeakPolarHBondContact CB-OD1 3.45Å; N514-N536 PolarHBondContact N-OD1 3.04Å; N514-N536 PolarHBondContact O-OD1 3.26Å; S515-N536 PolarHBondContact N-OD1 3Å; I516-N536 HydrophobicContact CB-CB 4.25Å; I516-N536 VanDerWaalsContact CB-OD1 3.29Å; I516-N536 WeakPolarHBondContact CB-OD1 3.37Å; I516-N536 WeakPolarHBondContact CG1-OD1 3.31Å; I516-N536 PolarHBondContact N-OD1 2.95Å; L533-N536 VanDerWaalsContact C-ND2 3.33Å; L533-N536 WeakPolarHBondContact O-CB 3.4Å; L533-N536 PolarHBondContact O-ND2 3.45Å; K534-N536 PolarHBondContact O-ND2 3.09Å; N536-I538 HydrophobicContact CB-CG1 4.46Å; N536-N561 WeakPolarHBondContact CA-OD1 3.47Å; N536-N561 WeakPolarHBondContact CB-OD1 3.47Å; N536-N561 PolarHBondContact N-OD1 2.74Å; N536-N561 PolarHBondContact O-OD1 3.24Å
537	K	98.2	Very high	96.7	Very high	112 Å²	112	40.2 Å²	40.2	49%	0.487	22%	0.218	S	C	.	.			trans	-119.9	24.2	-176.8	-59.7	-61.4	174.2	-162.8	0	112.9	I516 E517 S539 N561	I516-K537 CarbonylContact O-C 3.44Å; I516-K537 VanDerWaalsContact O-C 3.25Å; I516-K537 WeakPolarHBondContact O-CA 3.46Å; I516-K537 PolarHBondContact O-N 2.85Å; E517-K537 HydrophobicContact CG-CB 3.82Å; K537-S539 PolarHBondContact O-N 2.76Å; K537-S539 PolarHBondContact O-OG 3.18Å; K537-N561 PolarHBondContact N-OD1 2.99Å
538	I	97.5	Very high	96.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.			trans	-67.4	115.1	178	-58.2	175.3	0	0	0	108.4	I516 L519 L533 N536 D543 L544 L558 N561 P562 V563	I516-I538 PolarHBondContact O-N 2.82Å; L519-I538 HydrophobicContact CD1-CD1 4.46Å; L533-I538 HydrophobicContact CB-CD1 4.16Å; L533-I538 HydrophobicContact CD1-CD1 3.82Å; L533-I538 HydrophobicContact CG-CD1 4.41Å; N536-I538 HydrophobicContact CB-CG1 4.46Å; I538-D543 HydrophobicContact CG2-CB 3.92Å; I538-L544 HydrophobicContact CD1-CD2 3.97Å; I538-L544 HydrophobicContact CG2-CD1 4.4Å; I538-L544 HydrophobicContact CG2-CD2 3.85Å; I538-L544 HydrophobicContact CG2-CG 3.92Å; I538-L558 HydrophobicContact CD1-CD2 4.17Å; I538-N561 HydrophobicContact CB-CB 4.23Å; I538-N561 WeakPolarHBondContact CB-OD1 3.37Å; I538-N561 PolarHBondContact N-OD1 3.29Å; I538-N561 VanDerWaalsContact N-OD1 3.16Å; I538-P562 VanDerWaalsContact O-CD 3.22Å; I538-P562 WeakPolarHBondContact O-CD 3.43Å; I538-V563 HydrophobicContact CB-CG1 4.42Å; I538-V563 HydrophobicContact CG2-CB 4.33Å; I538-V563 HydrophobicContact CG2-CG1 4Å; I538-V563 WeakPolarHBondContact O-CB 3.34Å; I538-V563 PolarHBondContact O-N 3.17Å
539	S	96.1	Very high	96.3	Very high	62 Å²	62	43.4 Å²	43.4	43%	0.434	25%	0.245	S	C	.	.			trans	-108.1	-24.8	-166.8	-62.2	0	0	0	0	113.4	K537 D543	K537-S539 PolarHBondContact O-N 2.76Å; K537-S539 PolarHBondContact O-OG 3.18Å; S539-D543 PolarHBondContact N-OD2 3.02Å
540	T	94.8	Very high	96.2	Very high	64 Å²	64	40.1 Å²	40.1	39%	0.393	23%	0.23	S	C	.	.	S	Bend	trans	-135.4	160	-176.4	72.5	0	0	0	0	111.6	A542 D543	T540-A542 VanDerWaalsContact C-N 3.25Å; T540-A542 PolarHBondContact O-N 3.02Å; T540-D543 PolarHBondContact N-OD2 3.31Å; T540-D543 WeakPolarHBondContact O-CB 3.34Å; T540-D543 PolarHBondContact O-N 3.27Å; T540-D543 PolarHBondContact OG1-N 3.37Å; T540-D543 PolarHBondContact OG1-OD2 2.96Å
541	L	93.1	Very high	96.1	Very high	33 Å²	33	41 Å²	41	17%	0.173	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-66.2	-28	172.9	-70.5	177.5	0	0	0	113.4	D543 L544 Q545 V563 V569 E572 L573	L541-D543 PolarHBondContact O-N 3.11Å; L541-L544 HydrophobicContact CD2-CD1 4.3Å; L541-L544 WeakPolarHBondContact O-CB 3.46Å; L541-L544 PolarHBondContact O-N 3.07Å; L541-Q545 PolarHBondContact O-N 2.93Å; L541-V563 HydrophobicContact CD2-CG2 4.06Å; L541-V563 HydrophobicContact CG-CG2 4.38Å; L541-V569 HydrophobicContact CD2-CG2 4.34Å; L541-E572 HydrophobicContact CD1-CB 3.33Å; L541-E572 HydrophobicContact CD1-CG 4.18Å; L541-E572 WeakPolarHBondContact CD1-OE2 3.44Å; L541-L573 HydrophobicContact CD2-CD2 3.48Å; L541-L573 VanDerWaalsContact CD2-CD2 3.48Å; L541-L573 HydrophobicContact CD2-CG 3.67Å
542	A	93.4	Very high	95.9	Very high	69 Å²	69	43.1 Å²	43.1	57%	0.57	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-59.9	-30.9	176	0	0	0	0	0	111.6	T540 L544 Q545	T540-A542 VanDerWaalsContact C-N 3.25Å; T540-A542 PolarHBondContact O-N 3.02Å; A542-L544 PolarHBondContact O-N 3.45Å; A542-Q545 VanDerWaalsContact O-CB 3.28Å; A542-Q545 WeakPolarHBondContact O-CB 3.14Å; A542-Q545 PolarHBondContact O-N 3.21Å
543	D	94.1	Very high	95.9	Very high	40 Å²	40	42 Å²	42	21%	0.214	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-67.5	-21.1	176.7	-57.3	-43	0	0	0	112.7	E517 L519 I538 S539 T540 L541	E517-D543 WeakPolarHBondContact O-CB 3.4Å; E517-D543 VanDerWaalsContact O-CG 3.27Å; L519-D543 PolarHBondContact N-O 3.44Å; I538-D543 HydrophobicContact CG2-CB 3.92Å; S539-D543 PolarHBondContact N-OD2 3.02Å; T540-D543 PolarHBondContact N-OD2 3.31Å; T540-D543 WeakPolarHBondContact O-CB 3.34Å; T540-D543 PolarHBondContact O-N 3.27Å; T540-D543 PolarHBondContact OG1-N 3.37Å; T540-D543 PolarHBondContact OG1-OD2 2.96Å; L541-D543 PolarHBondContact O-N 3.11Å
544	L	94.4	Very high	95.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-97.8	-10	179.5	-62	174.8	0	0	0	113.4	L519 I538 L541 A542 P546 L547 L558 V563 L573 L576	L519-L544 HydrophobicContact CD1-CD2 3.59Å; I538-L544 HydrophobicContact CD1-CD2 3.97Å; I538-L544 HydrophobicContact CG2-CD1 4.4Å; I538-L544 HydrophobicContact CG2-CD2 3.85Å; I538-L544 HydrophobicContact CG2-CG 3.92Å; L541-L544 HydrophobicContact CD2-CD1 4.3Å; L541-L544 WeakPolarHBondContact O-CB 3.46Å; L541-L544 PolarHBondContact O-N 3.07Å; A542-L544 PolarHBondContact O-N 3.45Å; L544-P546 VanDerWaalsContact C-N 3.26Å; L544-P546 WeakPolarHBondContact O-CD 3.44Å; L544-P546 VanDerWaalsContact O-N 3.09Å; L544-L547 HydrophobicContact CB-CD1 4.47Å; L544-L547 HydrophobicContact CD2-CD1 4.04Å; L544-L547 WeakPolarHBondContact O-CB 3.3Å; L544-L547 PolarHBondContact O-N 3.35Å; L544-L558 HydrophobicContact CD1-CD1 3.68Å; L544-L558 HydrophobicContact CD1-CD2 4.38Å; L544-L558 HydrophobicContact CD2-CD2 3.93Å; L544-V563 HydrophobicContact CD1-CG1 4.44Å; L544-L573 HydrophobicContact CD1-CD2 3.67Å; L544-L576 HydrophobicContact CB-CD2 4.29Å
545	Q	93.8	Very high	95.9	Very high	117 Å²	117	51.2 Å²	51.2	55%	0.547	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-46.3	-39.7	-179.9	-165.2	89.5	11	0	0	114.3	L541 A542 L547 A548	L541-Q545 PolarHBondContact O-N 2.93Å; A542-Q545 VanDerWaalsContact O-CB 3.28Å; A542-Q545 WeakPolarHBondContact O-CB 3.14Å; A542-Q545 PolarHBondContact O-N 3.21Å; Q545-L547 PolarHBondContact O-N 3.45Å; Q545-A548 WeakPolarHBondContact O-CB 3.43Å; Q545-A548 PolarHBondContact O-N 2.98Å
546	P	94.9	Very high	95.9	Very high	26 Å²	26	48 Å²	48	17%	0.169	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-58.4	-30.7	179.6	-27.7	38.5	0	0	0	114.3	L519 V522 L544 A548 S549	L519-P546 VanDerWaalsContact O-CB 3.25Å; L519-P546 WeakPolarHBondContact O-CB 3.48Å; L519-P546 WeakPolarHBondContact O-CG 3.44Å; V522-P546 CarbonylContact O-C 3.59Å; V522-P546 WeakPolarHBondContact O-CB 3.39Å; V522-P546 VanDerWaalsContact O-O 3.12Å; L544-P546 VanDerWaalsContact C-N 3.26Å; L544-P546 WeakPolarHBondContact O-CD 3.44Å; L544-P546 VanDerWaalsContact O-N 3.09Å; P546-A548 PolarHBondContact O-N 3.4Å; P546-S549 WeakPolarHBondContact O-CB 3.34Å; P546-S549 PolarHBondContact O-N 3.31Å; P546-S549 PolarHBondContact O-OG 3.04Å
547	L	95.7	Very high	95.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61	-28.3	-179.8	-66.2	177.3	0	0	0	112.9	L519 V522 V531 L544 Q545 S549 C550 L553 L556 L577	L519-L547 HydrophobicContact CD1-CD1 3.81Å; L519-L547 HydrophobicContact CD1-CD2 4.15Å; L519-L547 HydrophobicContact CD1-CG 3.9Å; V522-L547 HydrophobicContact CB-CD2 4.14Å; V522-L547 HydrophobicContact CG1-CD2 3.56Å; V531-L547 HydrophobicContact CG2-CD2 4.28Å; L544-L547 HydrophobicContact CB-CD1 4.47Å; L544-L547 HydrophobicContact CD2-CD1 4.04Å; L544-L547 WeakPolarHBondContact O-CB 3.3Å; L544-L547 PolarHBondContact O-N 3.35Å; Q545-L547 PolarHBondContact O-N 3.45Å; L547-S549 PolarHBondContact O-N 2.92Å; L547-C550 WeakPolarHBondContact O-CB 3.21Å; L547-C550 PolarHBondContact O-N 3.45Å; L547-L553 HydrophobicContact CB-CD2 4Å; L547-L553 HydrophobicContact CD1-CD2 4.42Å; L547-L553 HydrophobicContact CD2-CD2 4.23Å; L547-L553 HydrophobicContact CG-CD2 4.45Å; L547-L556 HydrophobicContact CD1-CD1 3.94Å; L547-L556 HydrophobicContact CD1-CD2 4.04Å; L547-L577 HydrophobicContact CB-CD1 4.15Å; L547-L577 HydrophobicContact CB-CD2 3.72Å; L547-L577 HydrophobicContact CD1-CD1 4.17Å
548	A	94.8	Very high	95.9	Very high	56 Å²	56	43.1 Å²	43.1	46%	0.463	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-62.5	-17	178	0	0	0	0	0	113.1	Q545 P546 C550 L576 L577	Q545-A548 WeakPolarHBondContact O-CB 3.43Å; Q545-A548 PolarHBondContact O-N 2.98Å; P546-A548 PolarHBondContact O-N 3.4Å; A548-C550 VanDerWaalsContact C-N 3.34Å; A548-L576 HydrophobicContact CB-CD1 4.14Å; A548-L577 HydrophobicContact CB-CD2 3.96Å; A548-L577 VanDerWaalsContact N-CD2 3.33Å
549	S	94.4	Very high	95.9	Very high	21 Å²	21	48 Å²	48	15%	0.147	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-85	-4.2	176.8	74.4	0	0	0	0	114.3	Y523 H524 P546 L547 P551	Y523-S549 WeakPolarHBondContact CA-OG 3.41Å; H524-S549 PolarHBondContact N-OG 3.32Å; H524-S549 PolarHBondContact ND1-O 2.85Å; H524-S549 VanDerWaalsContact ND1-O 3.1Å; P546-S549 WeakPolarHBondContact O-CB 3.34Å; P546-S549 PolarHBondContact O-N 3.31Å; P546-S549 PolarHBondContact O-OG 3.04Å; L547-S549 PolarHBondContact O-N 2.92Å; S549-P551 WeakPolarHBondContact O-CD 3.48Å
550	C	96.3	Very high	96	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.02	26%	0.258	C	S	.	.			trans	-99	102	-178.2	-62	0	0	0	0	110.3	L528 L547 A548 K552 L553	L528-C550 HydrophobicContact CB-CB 4.45Å; L528-C550 HydrophobicContact CD2-CB 4.3Å; L547-C550 WeakPolarHBondContact O-CB 3.21Å; L547-C550 PolarHBondContact O-N 3.45Å; A548-C550 VanDerWaalsContact C-N 3.34Å; C550-K552 VanDerWaalsContact C-N 3.28Å; C550-K552 PolarHBondContact O-N 3.49Å; C550-L553 HydrophobicContact CB-CB 4.29Å; C550-L553 PolarHBondContact O-N 2.89Å
551	P	94.6	Very high	96.2	Very high	92 Å²	92	44.3 Å²	44.3	60%	0.597	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.3	-165.3	29.3	-36.9	0	0	0	114.7	S549	S549-P551 WeakPolarHBondContact O-CD 3.48Å
552	K	96.3	Very high	96.4	Very high	48 Å²	48	45.1 Å²	45.1	21%	0.209	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	2.5	-177	-71.9	-166.3	172.2	-168.2	0	113.8	E273 L528 E529 C550 R554	E273-K552 WeakPolarHBondContact OE1-CE 3.47Å; E273-K552 IonicContact OE1-NZ 3.93Å; E273-K552 PolarHBondContact OE1-NZ 3.2Å; E273-K552 IonicContact OE2-NZ 3.08Å; E273-K552 PolarHBondContact OE2-NZ 3.45Å; L528-K552 CarbonylContact O-C 3.58Å; L528-K552 WeakPolarHBondContact O-CB 3.42Å; E529-K552 HydrophobicContact CG-CB 4.31Å; C550-K552 VanDerWaalsContact C-N 3.28Å; C550-K552 PolarHBondContact O-N 3.49Å; K552-R554 WeakPolarHBondContact O-CG 3.42Å; K552-R554 PolarHBondContact O-N 2.82Å
553	L	97.9	Very high	96.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.22	C	C	.	.			trans	-65	120.2	-175.6	-173.4	69.4	0	0	0	110.1	L528 V531 L547 C550 S579 V580	L528-L553 HydrophobicContact CD2-CD1 4.38Å; L528-L553 HydrophobicContact CG-CD1 4.3Å; L528-L553 VanDerWaalsContact O-CA 3.32Å; L528-L553 WeakPolarHBondContact O-CA 3.44Å; L528-L553 PolarHBondContact O-N 3.2Å; V531-L553 HydrophobicContact CB-CD1 4.17Å; V531-L553 HydrophobicContact CG2-CD1 3.6Å; L547-L553 HydrophobicContact CB-CD2 4Å; L547-L553 HydrophobicContact CD1-CD2 4.42Å; L547-L553 HydrophobicContact CD2-CD2 4.23Å; L547-L553 HydrophobicContact CG-CD2 4.45Å; C550-L553 HydrophobicContact CB-CB 4.29Å; C550-L553 PolarHBondContact O-N 2.89Å; L553-S579 CarbonylContact O-C 3.56Å; L553-S579 PolarHBondContact O-OG 2.79Å; L553-V580 HydrophobicContact CB-CG2 4.47Å; L553-V580 HydrophobicContact CD2-CG2 3.87Å; L553-V580 HydrophobicContact CG-CG2 3.9Å
554	R	97.7	Very high	96.6	Very high	159 Å²	159	41.4 Å²	41.4	60%	0.6	22%	0.219	S	C	*	.			trans	-119.6	-29.7	-177	-74.1	175.2	-173.4	-83.2	0.4	112.8	E529 K552 V580 A581 D582	E529-R554 PolarHBondContact O-N 3.17Å; K552-R554 WeakPolarHBondContact O-CG 3.42Å; K552-R554 PolarHBondContact O-N 2.82Å; R554-V580 CarbonylContact O-C 3.17Å; R554-A581 PolarHBondContact O-N 3.26Å; R554-D582 PolarHBondContact O-N 3.3Å
555	R	98.4	Very high	96.6	Very high	102 Å²	102	49.5 Å²	49.5	39%	0.385	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.5	-177	-174.8	176.3	-131.5	164.5	6.7	111.5	E529 E530 V531 D582	E529-R555 PolarHBondContact O-N 3.22Å; E530-R555 HydrophobicContact CB-CB 4.15Å; E530-R555 HydrophobicContact CG-CB 3.92Å; E530-R555 IonicContact OE1-NH1 3.13Å; E530-R555 IonicContact OE2-NH1 2.73Å; V531-R555 PolarHBondContact N-O 3.3Å; R555-D582 WeakPolarHBondContact CA-O 3.42Å; R555-D582 HydrophobicContact CB-CB 4.35Å; R555-D582 HydrophobicContact CG-CB 4.13Å; R555-D582 IonicContact CZ-OD2 2.91Å; R555-D582 IonicContact NE-OD2 2.7Å; R555-D582 PolarHBondContact NE-OD2 2.9Å; R555-D582 IonicContact NH2-OD2 3.42Å; R555-D582 PolarHBondContact NH2-OD2 3.28Å
556	L	98.4	Very high	96.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	119.8	177.4	179.9	59.3	0	0	0	110.7	V531 L533 L547 L558 L577 V580 D582 L583 L584	V531-L556 HydrophobicContact CB-CD1 4.03Å; V531-L556 HydrophobicContact CG1-CD1 3.99Å; V531-L556 WeakPolarHBondContact O-CA 3.01Å; L533-L556 HydrophobicContact CD1-CD1 4.46Å; L547-L556 HydrophobicContact CD1-CD1 3.94Å; L547-L556 HydrophobicContact CD1-CD2 4.04Å; L556-L558 HydrophobicContact CD1-CD2 4.06Å; L556-L558 HydrophobicContact CD1-CG 4.16Å; L556-L558 HydrophobicContact CD2-CD1 3.93Å; L556-L558 HydrophobicContact CD2-CG 4.21Å; L556-L558 HydrophobicContact CG-CD1 4.19Å; L556-L558 HydrophobicContact CG-CD2 4.36Å; L556-L558 HydrophobicContact CG-CG 3.93Å; L556-L577 HydrophobicContact CD2-CD1 3.59Å; L556-V580 HydrophobicContact CB-CG1 3.95Å; L556-D582 PolarHBondContact N-O 3.1Å; L556-L583 HydrophobicContact CB-CD1 4.06Å; L556-L583 HydrophobicContact CD2-CD1 4.02Å; L556-L583 HydrophobicContact CG-CD1 4.11Å; L556-L583 WeakPolarHBondContact O-CA 3.31Å; L556-L584 PolarHBondContact O-N 3.19Å
557	D	98.6	Very high	96.2	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.059	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.3	173.2	-168.1	-14.5	0	0	0	111.2	V531 L533 R559 L584	V531-D557 PolarHBondContact O-N 2.65Å; L533-D557 CarbonylContact C-O 3.6Å; L533-D557 WeakPolarHBondContact CA-O 3.21Å; L533-D557 PolarHBondContact N-O 3.45Å; D557-R559 WeakPolarHBondContact OD1-CB 3.26Å; D557-R559 VanDerWaalsContact OD1-CG 3.3Å; D557-R559 WeakPolarHBondContact OD1-CG 3.3Å; D557-R559 IonicContact OD1-CZ 2.59Å; D557-R559 PolarHBondContact OD1-N 2.93Å; D557-R559 IonicContact OD1-NE 3.13Å; D557-R559 PolarHBondContact OD1-NE 3.26Å; D557-R559 IonicContact OD2-CZ 3.08Å; D557-R559 VanDerWaalsContact OD2-CZ 3.24Å; D557-R559 IonicContact OD2-NE 2.72Å; D557-R559 PolarHBondContact OD2-NE 3.01Å; D557-R559 VanDerWaalsContact OD2-NE 3.08Å; D557-R559 IonicContact OD2-NH2 3.24Å; D557-R559 PolarHBondContact OD2-NH2 2.7Å; D557-L584 HydrophobicContact CB-CB 4.18Å; D557-L584 HydrophobicContact CB-CD1 4.11Å
558	L	98.3	Very high	96	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.299	C	S	.	.			trans	-114.2	7.3	179.8	-64.8	172.7	0	0	0	112.8	L533 I538 L544 L556 G560 N561 V563 T564 L573 L584 L585	L533-L558 HydrophobicContact CB-CD2 4.24Å; L533-L558 HydrophobicContact CD1-CD2 4.2Å; I538-L558 HydrophobicContact CD1-CD2 4.17Å; L544-L558 HydrophobicContact CD1-CD1 3.68Å; L544-L558 HydrophobicContact CD1-CD2 4.38Å; L544-L558 HydrophobicContact CD2-CD2 3.93Å; L556-L558 HydrophobicContact CD1-CD2 4.06Å; L556-L558 HydrophobicContact CD1-CG 4.16Å; L556-L558 HydrophobicContact CD2-CD1 3.93Å; L556-L558 HydrophobicContact CD2-CG 4.21Å; L556-L558 HydrophobicContact CG-CD1 4.19Å; L556-L558 HydrophobicContact CG-CD2 4.36Å; L556-L558 HydrophobicContact CG-CG 3.93Å; L558-G560 PolarHBondContact O-N 3.26Å; L558-N561 WeakPolarHBondContact O-CB 3.45Å; L558-N561 PolarHBondContact O-N 2.91Å; L558-N561 VanDerWaalsContact O-N 3.08Å; L558-N561 PolarHBondContact O-ND2 3.34Å; L558-V563 HydrophobicContact CD1-CG1 4.44Å; L558-T564 HydrophobicContact CB-CG2 3.77Å; L558-T564 VanDerWaalsContact O-CG2 3.25Å; L558-T564 WeakPolarHBondContact O-CG2 3.43Å; L558-L573 HydrophobicContact CD1-CD1 3.84Å; L558-L584 PolarHBondContact N-O 3.46Å; L558-L585 HydrophobicContact CB-CD2 4.19Å; L558-L585 HydrophobicContact CD1-CD2 4.04Å
559	R	98.4	Very high	96	Very high	104 Å²	104	52.4 Å²	52.4	39%	0.392	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	132.8	-174.4	-73.4	177.5	-62	173.8	-0.1	112.3	K534 N535 D557 N561 L584 L585	K534-R559 CarbonylContact C-O 3.44Å; K534-R559 VanDerWaalsContact CA-O 3.25Å; K534-R559 WeakPolarHBondContact CA-O 3.37Å; K534-R559 HydrophobicContact CG-CB 4.16Å; K534-R559 WeakPolarHBondContact CG-O 3.34Å; N535-R559 PolarHBondContact N-O 3.34Å; D557-R559 WeakPolarHBondContact OD1-CB 3.26Å; D557-R559 VanDerWaalsContact OD1-CG 3.3Å; D557-R559 WeakPolarHBondContact OD1-CG 3.3Å; D557-R559 IonicContact OD1-CZ 2.59Å; D557-R559 PolarHBondContact OD1-N 2.93Å; D557-R559 IonicContact OD1-NE 3.13Å; D557-R559 PolarHBondContact OD1-NE 3.26Å; D557-R559 IonicContact OD2-CZ 3.08Å; D557-R559 VanDerWaalsContact OD2-CZ 3.24Å; D557-R559 IonicContact OD2-NE 2.72Å; D557-R559 PolarHBondContact OD2-NE 3.01Å; D557-R559 VanDerWaalsContact OD2-NE 3.08Å; D557-R559 IonicContact OD2-NH2 3.24Å; D557-R559 PolarHBondContact OD2-NH2 2.7Å; R559-N561 VanDerWaalsContact C-N 3.34Å; R559-L584 HydrophobicContact CG-CB 4.23Å; R559-L585 WeakPolarHBondContact CA-OXT 3.32Å; R559-L585 WeakPolarHBondContact CG-O 3.48Å
560	G	97.6	Very high	95.9	Very high	46 Å²	46	58 Å²	58	47%	0.474	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	15.7	178.7	0	0	0	0	0	115.1	L558	L558-G560 PolarHBondContact O-N 3.26Å
561	N	98.4	Very high	95.8	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.011	32%	0.324	C	S	.	.			trans	-93.6	148.3	166.6	-75.9	-86.5	0	0	0	111.6	L533 N536 K537 I538 L558 R559 V563 T564	L533-N561 PolarHBondContact O-ND2 2.9Å; N536-N561 WeakPolarHBondContact CA-OD1 3.47Å; N536-N561 WeakPolarHBondContact CB-OD1 3.47Å; N536-N561 PolarHBondContact N-OD1 2.74Å; N536-N561 PolarHBondContact O-OD1 3.24Å; K537-N561 PolarHBondContact N-OD1 2.99Å; I538-N561 HydrophobicContact CB-CB 4.23Å; I538-N561 WeakPolarHBondContact CB-OD1 3.37Å; I538-N561 PolarHBondContact N-OD1 3.29Å; I538-N561 VanDerWaalsContact N-OD1 3.16Å; L558-N561 WeakPolarHBondContact O-CB 3.45Å; L558-N561 PolarHBondContact O-N 2.91Å; L558-N561 VanDerWaalsContact O-N 3.08Å; L558-N561 PolarHBondContact O-ND2 3.34Å; R559-N561 VanDerWaalsContact C-N 3.34Å; N561-V563 HydrophobicContact CB-CG1 4Å; N561-V563 PolarHBondContact O-N 3.49Å; N561-T564 HydrophobicContact CB-CG2 4.39Å; N561-T564 PolarHBondContact O-N 3.38Å; N561-T564 VanDerWaalsContact O-N 3.09Å; N561-T564 PolarHBondContact O-OG1 2.91Å; N561-T564 VanDerWaalsContact O-OG1 3.1Å
562	P	97.6	Very high	95.8	Very high	49 Å²	49	60.5 Å²	60.5	32%	0.318	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-56.6	-32.5	176.1	-23.1	29.6	0	0	0	114.6	I538 T564 Q565	I538-P562 VanDerWaalsContact O-CD 3.22Å; I538-P562 WeakPolarHBondContact O-CD 3.43Å; P562-T564 PolarHBondContact O-N 3.46Å; P562-Q565 WeakPolarHBondContact O-CB 3.43Å; P562-Q565 PolarHBondContact O-N 2.97Å; P562-Q565 VanDerWaalsContact O-N 3.1Å
563	V	96.5	Very high	95.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-58.1	-28.3	176.9	71.2	0	0	0	0	112.7	I538 L541 L544 L558 N561 Q565 T566 V569	I538-V563 HydrophobicContact CB-CG1 4.42Å; I538-V563 HydrophobicContact CG2-CB 4.33Å; I538-V563 HydrophobicContact CG2-CG1 4Å; I538-V563 WeakPolarHBondContact O-CB 3.34Å; I538-V563 PolarHBondContact O-N 3.17Å; L541-V563 HydrophobicContact CD2-CG2 4.06Å; L541-V563 HydrophobicContact CG-CG2 4.38Å; L544-V563 HydrophobicContact CD1-CG1 4.44Å; L558-V563 HydrophobicContact CD1-CG1 4.44Å; N561-V563 HydrophobicContact CB-CG1 4Å; N561-V563 PolarHBondContact O-N 3.49Å; V563-Q565 PolarHBondContact O-N 3.08Å; V563-Q565 VanDerWaalsContact O-N 3.14Å; V563-T566 PolarHBondContact O-N 3.49Å; V563-T566 VanDerWaalsContact O-N 3.11Å; V563-T566 PolarHBondContact O-OG1 3.28Å; V563-V569 HydrophobicContact CG2-CG2 4.23Å; V563-V569 WeakPolarHBondContact O-CG2 3.45Å
564	T	95.3	Very high	95.5	Very high	31 Å²	31	61.1 Å²	61.1	19%	0.19	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-73.8	-7.7	-178.4	76.7	0	0	0	0	113.2	L558 N561 P562 L585	L558-T564 HydrophobicContact CB-CG2 3.77Å; L558-T564 VanDerWaalsContact O-CG2 3.25Å; L558-T564 WeakPolarHBondContact O-CG2 3.43Å; N561-T564 HydrophobicContact CB-CG2 4.39Å; N561-T564 PolarHBondContact O-N 3.38Å; N561-T564 VanDerWaalsContact O-N 3.09Å; N561-T564 PolarHBondContact O-OG1 2.91Å; N561-T564 VanDerWaalsContact O-OG1 3.1Å; P562-T564 PolarHBondContact O-N 3.46Å; T564-L585 WeakPolarHBondContact CB-OXT 3.48Å; T564-L585 HydrophobicContact CG2-CB 4.23Å; T564-L585 HydrophobicContact CG2-CD2 4Å; T564-L585 VanDerWaalsContact CG2-OXT 3.23Å; T564-L585 WeakPolarHBondContact CG2-OXT 3.36Å; T564-L585 PolarHBondContact OG1-OXT 2.68Å
565	Q	94.2	Very high	95.4	Very high	171 Å²	171	61.3 Å²	61.3	80%	0.799	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-93.1	-6.3	173.8	-57.2	-178.4	-1.2	0	0	113.1	P562 V563	P562-Q565 WeakPolarHBondContact O-CB 3.43Å; P562-Q565 PolarHBondContact O-N 2.97Å; P562-Q565 VanDerWaalsContact O-N 3.1Å; V563-Q565 PolarHBondContact O-N 3.08Å; V563-Q565 VanDerWaalsContact O-N 3.14Å
566	T	91.6	Very high	95.3	Very high	56 Å²	56	58 Å²	58	34%	0.344	33%	0.326	S	S	.	.	S	Bend	trans	-73.5	139.8	179	59.8	0	0	0	0	110.6	V563 V569	V563-T566 PolarHBondContact O-N 3.49Å; V563-T566 VanDerWaalsContact O-N 3.11Å; V563-T566 PolarHBondContact O-OG1 3.28Å; T566-V569 WeakPolarHBondContact O-CB 3.32Å; T566-V569 WeakPolarHBondContact O-CG1 3.39Å; T566-V569 PolarHBondContact O-N 3.4Å; T566-V569 WeakPolarHBondContact OG1-CB 3.43Å
567	A	89.8	Confident	95.1	Very high	80 Å²	80	58.4 Å²	58.4	66%	0.661	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	142.6	174.5	0	0	0	0	0	110	V569	A567-V569 PolarHBondContact O-N 2.92Å; A567-V569 VanDerWaalsContact O-N 3.16Å
568	N	91.4	Very high	94.9	Very high	113 Å²	113	63.1 Å²	63.1	60%	0.604	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	15.7	177.9	-50.3	-34.2	0	0	0	115.8	E570 S571 E572	N568-E570 PolarHBondContact O-N 3.13Å; N568-S571 PolarHBondContact O-N 3.48Å; N568-S571 PolarHBondContact O-OG 2.95Å; N568-E572 HydrophobicContact CB-CG 4.4Å; N568-E572 WeakPolarHBondContact O-CG 3.47Å; N568-E572 PolarHBondContact O-N 3.31Å
569	V	93.6	Very high	94.6	Very high	12 Å²	12	66 Å²	66	7%	0.073	38%	0.379	C	S	.	.	H	α-helix	trans	-53.8	-39.8	-178.5	62.9	0	0	0	0	113	L541 V563 T566 A567 L573 L585	L541-V569 HydrophobicContact CD2-CG2 4.34Å; V563-V569 HydrophobicContact CG2-CG2 4.23Å; V563-V569 WeakPolarHBondContact O-CG2 3.45Å; T566-V569 WeakPolarHBondContact O-CB 3.32Å; T566-V569 WeakPolarHBondContact O-CG1 3.39Å; T566-V569 PolarHBondContact O-N 3.4Å; T566-V569 WeakPolarHBondContact OG1-CB 3.43Å; A567-V569 PolarHBondContact O-N 2.92Å; A567-V569 VanDerWaalsContact O-N 3.16Å; V569-L573 HydrophobicContact CG2-CD1 3.72Å; V569-L573 HydrophobicContact CG2-CG 4.18Å; V569-L573 VanDerWaalsContact O-CB 3.23Å; V569-L573 WeakPolarHBondContact O-CB 3.48Å; V569-L573 WeakPolarHBondContact O-CG 3.46Å; V569-L573 PolarHBondContact O-N 2.69Å; V569-L585 HydrophobicContact CG1-CD1 3.94Å
570	E	93.1	Very high	94.5	Very high	138 Å²	138	62.2 Å²	62.2	65%	0.645	37%	0.368	S	S	*	.	H	α-helix	trans	-65.6	-45.6	-179.2	-171.2	179.5	176.5	0	0	112	N568 A574 L583 L585	N568-E570 PolarHBondContact O-N 3.13Å; E570-A574 WeakPolarHBondContact O-CB 3.5Å; E570-A574 PolarHBondContact O-N 3.47Å; E570-L583 HydrophobicContact CG-CD2 4.47Å; E570-L585 HydrophobicContact CB-CD1 4.04Å; E570-L585 HydrophobicContact CG-CD1 4.42Å
571	S	93.4	Very high	94.4	Very high	64 Å²	64	64.3 Å²	64.3	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-68.4	-41.4	177.7	47.3	0	0	0	0	112.2	N568 L573 A574 E575	N568-S571 PolarHBondContact O-N 3.48Å; N568-S571 PolarHBondContact O-OG 2.95Å; S571-L573 VanDerWaalsContact C-N 3.34Å; S571-A574 PolarHBondContact O-N 2.86Å; S571-E575 PolarHBondContact O-N 2.82Å
572	E	95.1	Very high	94.3	Very high	84 Å²	84	66.7 Å²	66.7	39%	0.393	39%	0.393	S	S	.	.	H	α-helix	trans	-69.4	-34	179.3	-65.9	178.8	-171.2	0	0	111.5	L541 N568 E575 L576	L541-E572 HydrophobicContact CD1-CB 3.33Å; L541-E572 HydrophobicContact CD1-CG 4.18Å; L541-E572 WeakPolarHBondContact CD1-OE2 3.44Å; N568-E572 HydrophobicContact CB-CG 4.4Å; N568-E572 WeakPolarHBondContact O-CG 3.47Å; N568-E572 PolarHBondContact O-N 3.31Å; E572-E575 PolarHBondContact O-N 2.96Å; E572-L576 WeakPolarHBondContact O-CB 3.39Å; E572-L576 PolarHBondContact O-N 2.85Å
573	L	94.8	Very high	94.2	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.016	39%	0.391	C	S	.	.	H	α-helix	trans	-69.2	-37.5	171.3	-77	173.1	0	0	0	112.6	L541 L544 L558 V569 S571 E575 L576 L577 L583 L585	L541-L573 HydrophobicContact CD2-CD2 3.48Å; L541-L573 VanDerWaalsContact CD2-CD2 3.48Å; L541-L573 HydrophobicContact CD2-CG 3.67Å; L544-L573 HydrophobicContact CD1-CD2 3.67Å; L558-L573 HydrophobicContact CD1-CD1 3.84Å; V569-L573 HydrophobicContact CG2-CD1 3.72Å; V569-L573 HydrophobicContact CG2-CG 4.18Å; V569-L573 VanDerWaalsContact O-CB 3.23Å; V569-L573 WeakPolarHBondContact O-CB 3.48Å; V569-L573 WeakPolarHBondContact O-CG 3.46Å; V569-L573 PolarHBondContact O-N 2.69Å; S571-L573 VanDerWaalsContact C-N 3.34Å; L573-E575 VanDerWaalsContact C-N 3.27Å; L573-E575 PolarHBondContact O-N 3.33Å; L573-L576 PolarHBondContact O-N 3.33Å; L573-L577 HydrophobicContact CD2-CD1 4.35Å; L573-L577 WeakPolarHBondContact O-CA 3.38Å; L573-L577 WeakPolarHBondContact O-CB 3.49Å; L573-L577 PolarHBondContact O-N 2.94Å; L573-L583 HydrophobicContact CB-CD2 4.13Å; L573-L583 HydrophobicContact CD1-CD1 4.14Å; L573-L583 HydrophobicContact CD1-CD2 4.05Å; L573-L585 HydrophobicContact CD1-CD2 3.74Å
574	A	94.3	Very high	94.2	Very high	59 Å²	59	69.2 Å²	69.2	49%	0.488	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-34.1	174.7	0	0	0	0	0	111.9	E570 S571 P578	E570-A574 WeakPolarHBondContact O-CB 3.5Å; E570-A574 PolarHBondContact O-N 3.47Å; S571-A574 PolarHBondContact O-N 2.86Å; A574-P578 VanDerWaalsContact O-CA 3.32Å; A574-P578 WeakPolarHBondContact O-CA 3.27Å
575	E	95.2	Very high	94.2	Very high	163 Å²	163	71 Å²	71	76%	0.762	41%	0.411	S	S	*	.	H	α-helix	trans	-70	-42.6	172.3	-72.6	-177.5	-176.3	0	0	112.3	S571 E572 L573	S571-E575 PolarHBondContact O-N 2.82Å; E572-E575 PolarHBondContact O-N 2.96Å; L573-E575 VanDerWaalsContact C-N 3.27Å; L573-E575 PolarHBondContact O-N 3.33Å
576	L	94.9	Very high	94.2	Very high	33 Å²	33	66 Å²	66	17%	0.173	39%	0.392	C	S	.	.	H	α-helix	trans	-71.3	-39.7	-179.5	-178.2	63.7	0	0	0	112.7	L544 A548 E572 L573 P578	L544-L576 HydrophobicContact CB-CD2 4.29Å; A548-L576 HydrophobicContact CB-CD1 4.14Å; E572-L576 WeakPolarHBondContact O-CB 3.39Å; E572-L576 PolarHBondContact O-N 2.85Å; L573-L576 PolarHBondContact O-N 3.33Å; L576-P578 VanDerWaalsContact C-CD 3.48Å; L576-P578 WeakPolarHBondContact O-CD 3.28Å
577	L	95.7	Very high	94.3	Very high	7 Å²	7	66.5 Å²	66.5	4%	0.037	40%	0.395	C	S	.	.			trans	-129.2	63.2	-170.2	-55.4	177.8	0	0	0	111.2	L547 A548 L556 L573 S579 V580	L547-L577 HydrophobicContact CB-CD1 4.15Å; L547-L577 HydrophobicContact CB-CD2 3.72Å; L547-L577 HydrophobicContact CD1-CD1 4.17Å; A548-L577 HydrophobicContact CB-CD2 3.96Å; A548-L577 VanDerWaalsContact N-CD2 3.33Å; L556-L577 HydrophobicContact CD2-CD1 3.59Å; L573-L577 HydrophobicContact CD2-CD1 4.35Å; L573-L577 WeakPolarHBondContact O-CA 3.38Å; L573-L577 WeakPolarHBondContact O-CB 3.49Å; L573-L577 PolarHBondContact O-N 2.94Å; L577-S579 PolarHBondContact O-N 3.22Å; L577-V580 HydrophobicContact CB-CB 4.35Å; L577-V580 HydrophobicContact CB-CG2 3.74Å; L577-V580 HydrophobicContact CD1-CG2 4.35Å; L577-V580 PolarHBondContact O-N 3Å; L577-V580 VanDerWaalsContact O-N 3.1Å
578	P	93.6	Very high	94.6	Very high	111 Å²	111	65.8 Å²	65.8	72%	0.721	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.5	-171.7	27.3	-36.7	0	0	0	114.4	A574 L576	A574-P578 VanDerWaalsContact O-CA 3.32Å; A574-P578 WeakPolarHBondContact O-CA 3.27Å; L576-P578 VanDerWaalsContact C-CD 3.48Å; L576-P578 WeakPolarHBondContact O-CD 3.28Å
579	S	93.1	Very high	94.8	Very high	59 Å²	59	63 Å²	63	41%	0.413	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.7	177.6	62.8	0	0	0	0	114	L553 L577 A581	L553-S579 CarbonylContact O-C 3.56Å; L553-S579 PolarHBondContact O-OG 2.79Å; L577-S579 PolarHBondContact O-N 3.22Å; S579-A581 PolarHBondContact O-N 3.27Å
580	V	96.4	Very high	94.8	Very high	26 Å²	26	66.2 Å²	66.2	16%	0.158	39%	0.385	C	S	.	.			trans	-76.2	115	-177.2	176.8	0	0	0	0	109.2	L553 R554 L556 L577 L583	L553-V580 HydrophobicContact CB-CG2 4.47Å; L553-V580 HydrophobicContact CD2-CG2 3.87Å; L553-V580 HydrophobicContact CG-CG2 3.9Å; R554-V580 CarbonylContact O-C 3.17Å; L556-V580 HydrophobicContact CB-CG1 3.95Å; L577-V580 HydrophobicContact CB-CB 4.35Å; L577-V580 HydrophobicContact CB-CG2 3.74Å; L577-V580 HydrophobicContact CD1-CG2 4.35Å; L577-V580 PolarHBondContact O-N 3Å; L577-V580 VanDerWaalsContact O-N 3.1Å; V580-L583 HydrophobicContact CG1-CB 4.3Å
581	A	93.8	Very high	94.9	Very high	89 Å²	89	61.4 Å²	61.4	74%	0.736	37%	0.368	S	S	*	.			trans	-95.7	-28.5	-177.6	0	0	0	0	0	112.9	R554 S579	R554-A581 PolarHBondContact O-N 3.26Å; S579-A581 PolarHBondContact O-N 3.27Å
582	D	96.2	Very high	95	Very high	53 Å²	53	61.2 Å²	61.2	28%	0.283	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	98.2	178.5	-172.8	12.3	0	0	0	109.8	R554 R555 L556	R554-D582 PolarHBondContact O-N 3.3Å; R555-D582 WeakPolarHBondContact CA-O 3.42Å; R555-D582 HydrophobicContact CB-CB 4.35Å; R555-D582 HydrophobicContact CG-CB 4.13Å; R555-D582 IonicContact CZ-OD2 2.91Å; R555-D582 IonicContact NE-OD2 2.7Å; R555-D582 PolarHBondContact NE-OD2 2.9Å; R555-D582 IonicContact NH2-OD2 3.42Å; R555-D582 PolarHBondContact NH2-OD2 3.28Å; L556-D582 PolarHBondContact N-O 3.1Å
583	L	96.3	Very high	95	Very high	50 Å²	50	59.5 Å²	59.5	26%	0.262	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.5	-179.9	-179.6	63.7	0	0	0	110	L556 E570 L573 V580 L585	L556-L583 HydrophobicContact CB-CD1 4.06Å; L556-L583 HydrophobicContact CD2-CD1 4.02Å; L556-L583 HydrophobicContact CG-CD1 4.11Å; L556-L583 WeakPolarHBondContact O-CA 3.31Å; E570-L583 HydrophobicContact CG-CD2 4.47Å; L573-L583 HydrophobicContact CB-CD2 4.13Å; L573-L583 HydrophobicContact CD1-CD1 4.14Å; L573-L583 HydrophobicContact CD1-CD2 4.05Å; V580-L583 HydrophobicContact CG1-CB 4.3Å; L583-L585 HydrophobicContact CD1-CD2 4.01Å; L583-L585 HydrophobicContact CD1-CG 4.47Å; L583-L585 HydrophobicContact CD2-CD1 4.16Å; L583-L585 HydrophobicContact CD2-CD2 4.32Å; L583-L585 HydrophobicContact CD2-CG 4.27Å; L583-L585 HydrophobicContact CG-CD1 4.46Å; L583-L585 HydrophobicContact CG-CD2 4.1Å; L583-L585 HydrophobicContact CG-CG 4.04Å
584	L	96.9	Very high	95.1	Very high	51 Å²	51	64.2 Å²	64.2	27%	0.267	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.3	177.8	-52.3	174.1	0	0	0	109.7	L556 D557 L558 R559	L556-L584 PolarHBondContact O-N 3.19Å; D557-L584 HydrophobicContact CB-CB 4.18Å; D557-L584 HydrophobicContact CB-CD1 4.11Å; L558-L584 PolarHBondContact N-O 3.46Å; R559-L584 HydrophobicContact CG-CB 4.23Å
585	L	94.5	Very high	95.1	Very high	69 Å²	69	64.6 Å²	64.6	36%	0.361	38%	0.379	S	S	.	.			trans	-119.6	0	-173.8	-62	177.4	0	0	0	113.4	L558 R559 T564 V569 E570 L573 L583	L558-L585 HydrophobicContact CB-CD2 4.19Å; L558-L585 HydrophobicContact CD1-CD2 4.04Å; R559-L585 WeakPolarHBondContact CA-OXT 3.32Å; R559-L585 WeakPolarHBondContact CG-O 3.48Å; T564-L585 WeakPolarHBondContact CB-OXT 3.48Å; T564-L585 HydrophobicContact CG2-CB 4.23Å; T564-L585 HydrophobicContact CG2-CD2 4Å; T564-L585 VanDerWaalsContact CG2-OXT 3.23Å; T564-L585 WeakPolarHBondContact CG2-OXT 3.36Å; T564-L585 PolarHBondContact OG1-OXT 2.68Å; V569-L585 HydrophobicContact CG1-CD1 3.94Å; E570-L585 HydrophobicContact CB-CD1 4.04Å; E570-L585 HydrophobicContact CG-CD1 4.42Å; L573-L585 HydrophobicContact CD1-CD2 3.74Å; L583-L585 HydrophobicContact CD1-CD2 4.01Å; L583-L585 HydrophobicContact CD1-CG 4.47Å; L583-L585 HydrophobicContact CD2-CD1 4.16Å; L583-L585 HydrophobicContact CD2-CD2 4.32Å; L583-L585 HydrophobicContact CD2-CG 4.27Å; L583-L585 HydrophobicContact CG-CD1 4.46Å; L583-L585 HydrophobicContact CG-CD2 4.1Å; L583-L585 HydrophobicContact CG-CG 4.04Å

Retrieved 585 of 585 residues in 235.1 ms (Link to these results)

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