A0A077Z0E0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z0E0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 589 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	41.3	Very low	37.4	Very low	161 Å²	161	139.1 Å²	139.1	79%	0.793	77%	0.774	S	S	*	*				0	-19.4	0	-86.3	-156.8	-79.1	0	0	113	E3 M25	M1-E3 PolarHBondContact O-N 3.36Å; M1-M25 HydrophobicContact CE-CE 4.21Å; M1-M25 HydrophobicContact SD-CE 4.33Å
2	E	39	Very low	38	Very low	202 Å²	202	136.8 Å²	136.8	94%	0.944	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-8.5	179	-72.1	177.7	149.5	0	0	115.3
3	E	41.8	Very low	38.1	Very low	184 Å²	184	128.5 Å²	128.5	86%	0.86	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	11.9	-173.6	-65.7	-169.6	159.2	0	0	115.8	M1 P5	M1-E3 PolarHBondContact O-N 3.36Å; E3-P5 WeakPolarHBondContact O-CD 3.44Å
4	L	37.4	Very low	38.5	Very low	136 Å²	136	130.5 Å²	130.5	71%	0.712	72%	0.723	S	S	*	*			trans	-91.5	115.1	178	-82.3	162.8	0	0	0	111.2	L6	L4-L6 PolarHBondContact O-N 3.27Å
5	P	40.1	Very low	39.4	Very low	125 Å²	125	128.7 Å²	128.7	81%	0.812	71%	0.707	S	S	*	*			trans	-74.2	96.5	174.7	30	-30.2	0	0	0	108.8	E3	E3-P5 WeakPolarHBondContact O-CD 3.44Å
6	L	37.5	Very low	39.9	Very low	101 Å²	101	126.9 Å²	126.9	53%	0.529	69%	0.694	S	S	.	*			trans	-91.2	137.1	166.3	-72.2	170	0	0	0	109.1	L4	L4-L6 PolarHBondContact O-N 3.27Å
7	P	37.7	Very low	40.8	Very low	107 Å²	107	124.5 Å²	124.5	70%	0.695	68%	0.679	S	S	*	*			trans	-58.1	144	-178.3	22.8	-31.3	0	0	0	111.2	V9	P7-V9 PolarHBondContact O-N 3.22Å
8	A	34.2	Very low	41.6	Very low	111 Å²	111	123.4 Å²	123.4	92%	0.917	67%	0.667	S	S	*	*			trans	-62.4	97.6	-178.3	0	0	0	0	0	110.9
9	V	33.9	Very low	42.6	Very low	114 Å²	114	122.9 Å²	122.9	69%	0.691	66%	0.66	S	S	*	*			trans	-122.8	111.9	167.9	-171.6	0	0	0	0	107.5	P7 F11	P7-V9 PolarHBondContact O-N 3.22Å; V9-F11 PolarHBondContact O-N 3.23Å
10	S	33	Very low	43.1	Very low	113 Å²	113	118.7 Å²	118.7	79%	0.79	64%	0.64	S	S	*	*			trans	-81.1	84.7	176.6	54.4	0	0	0	0	110.4
11	F	35.5	Very low	44	Very low	176 Å²	176	116.8 Å²	116.8	77%	0.772	63%	0.629	S	S	*	*	S	Bend	trans	-153.6	161.2	167.2	-108.6	-94.2	0	0	0	109.3	V9 G13	V9-F11 PolarHBondContact O-N 3.23Å; F11-G13 PolarHBondContact O-N 3.16Å
12	P	44.8	Very low	45.2	Very low	111 Å²	111	115.1 Å²	115.1	72%	0.721	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-0.5	-174.9	-21	33.6	0	0	0	116.1	R14	P12-R14 VanDerWaalsContact C-N 3.33Å; P12-R14 PolarHBondContact O-N 3.45Å
13	G	39.2	Very low	46.4	Very low	29 Å²	29	107.7 Å²	107.7	30%	0.299	58%	0.583	S	S	.	*	H	α-helix	trans	-69.7	-18.6	-179	0	0	0	0	0	115.4	F11 E15 M16 I17	F11-G13 PolarHBondContact O-N 3.16Å; G13-E15 PolarHBondContact O-N 3.11Å; G13-M16 PolarHBondContact O-N 3.33Å; G13-I17 WeakPolarHBondContact O-CB 3.35Å; G13-I17 VanDerWaalsContact O-CG1 3.25Å; G13-I17 WeakPolarHBondContact O-CG1 3.47Å; G13-I17 PolarHBondContact O-N 3.16Å
14	R	43.8	Very low	47.1	Very low	157 Å²	157	101.9 Å²	101.9	59%	0.592	56%	0.557	S	S	*	*	H	α-helix	trans	-67.1	-40	-176.6	-143.5	-178.6	-167	-153.8	3.5	112.4	P12 K18	P12-R14 VanDerWaalsContact C-N 3.33Å; P12-R14 PolarHBondContact O-N 3.45Å; R14-K18 PolarHBondContact O-N 3.24Å
15	E	51.7	Low	48.3	Very low	103 Å²	103	99.2 Å²	99.2	48%	0.481	54%	0.542	S	S	.	.	H	α-helix	trans	-78.2	-33	178.6	-149.8	56.8	-153.6	0	0	111.5	G13 K18 Q19	G13-E15 PolarHBondContact O-N 3.11Å; E15-K18 PolarHBondContact O-N 3.24Å; E15-K18 IonicContact OE1-NZ 3.68Å; E15-K18 WeakPolarHBondContact OE2-CD 3.43Å; E15-K18 IonicContact OE2-NZ 2.83Å; E15-K18 PolarHBondContact OE2-NZ 3.41Å; E15-Q19 WeakPolarHBondContact O-CG 3.5Å; E15-Q19 PolarHBondContact O-N 2.99Å
16	M	47.4	Very low	49.3	Very low	100 Å²	100	100.5 Å²	100.5	49%	0.493	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-42.7	172.3	-160.3	179.7	80.9	0	0	111.7	G13 K18 Q19 C20	G13-M16 PolarHBondContact O-N 3.33Å; M16-K18 VanDerWaalsContact C-N 3.34Å; M16-K18 PolarHBondContact O-N 3.38Å; M16-Q19 PolarHBondContact O-N 3.41Å; M16-C20 WeakPolarHBondContact O-CB 3.24Å; M16-C20 PolarHBondContact O-N 3.29Å; M16-C20 PolarHBondContact O-SG 2.94Å
17	I	54.6	Low	50.2	Low	87 Å²	87	100.3 Å²	100.3	45%	0.446	53%	0.526	S	S	.	.	H	α-helix	trans	-61.2	-42	174.8	-71.6	166.5	0	0	0	111	G13 C20 L21	G13-I17 WeakPolarHBondContact O-CB 3.35Å; G13-I17 VanDerWaalsContact O-CG1 3.25Å; G13-I17 WeakPolarHBondContact O-CG1 3.47Å; G13-I17 PolarHBondContact O-N 3.16Å; I17-C20 PolarHBondContact O-N 3.39Å; I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 WeakPolarHBondContact O-CB 3.46Å; I17-L21 PolarHBondContact O-N 3.5Å
18	K	56.5	Low	51.4	Low	105 Å²	105	99 Å²	99	46%	0.457	52%	0.516	S	S	.	.	H	α-helix	trans	-63.1	-43.5	175.6	-71.6	-176.9	-165.4	157.9	0	112.1	R14 E15 M16 L21 Y22	R14-K18 PolarHBondContact O-N 3.24Å; E15-K18 PolarHBondContact O-N 3.24Å; E15-K18 IonicContact OE1-NZ 3.68Å; E15-K18 WeakPolarHBondContact OE2-CD 3.43Å; E15-K18 IonicContact OE2-NZ 2.83Å; E15-K18 PolarHBondContact OE2-NZ 3.41Å; M16-K18 VanDerWaalsContact C-N 3.34Å; M16-K18 PolarHBondContact O-N 3.38Å; K18-L21 PolarHBondContact O-N 3.04Å; K18-Y22 WeakPolarHBondContact O-CB 3.36Å; K18-Y22 PolarHBondContact O-N 3.04Å
19	Q	58.9	Low	52.5	Low	113 Å²	113	97.4 Å²	97.4	53%	0.528	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-42.4	177.4	-74	-178.6	-5.2	0	0	111.9	E15 M16 Y22 V23	E15-Q19 WeakPolarHBondContact O-CG 3.5Å; E15-Q19 PolarHBondContact O-N 2.99Å; M16-Q19 PolarHBondContact O-N 3.41Å; Q19-Y22 PolarHBondContact O-N 2.87Å; Q19-V23 PolarHBondContact O-N 3.06Å
20	C	54.2	Low	53.7	Low	39 Å²	39	98.2 Å²	98.2	26%	0.264	50%	0.498	S	S	.	.	H	α-helix	trans	-60.9	-45.3	174.3	-70.7	0	0	0	0	111.8	M16 I17 Y22 V23 L24	M16-C20 WeakPolarHBondContact O-CB 3.24Å; M16-C20 PolarHBondContact O-N 3.29Å; M16-C20 PolarHBondContact O-SG 2.94Å; I17-C20 PolarHBondContact O-N 3.39Å; C20-Y22 VanDerWaalsContact C-N 3.35Å; C20-Y22 PolarHBondContact O-N 3.04Å; C20-V23 PolarHBondContact O-N 3.49Å; C20-L24 VanDerWaalsContact O-CB 3.3Å; C20-L24 WeakPolarHBondContact O-CB 3.45Å; C20-L24 PolarHBondContact O-N 2.63Å
21	L	60.4	Low	54.6	Low	79 Å²	79	99.6 Å²	99.6	41%	0.414	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-40.8	175	-98	146.4	0	0	0	111.8	I17 K18 L24 M25	I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 WeakPolarHBondContact O-CB 3.46Å; I17-L21 PolarHBondContact O-N 3.5Å; K18-L21 PolarHBondContact O-N 3.04Å; L21-L24 PolarHBondContact O-N 2.87Å; L21-M25 WeakPolarHBondContact O-CB 3.43Å; L21-M25 VanDerWaalsContact O-CG 3.25Å; L21-M25 WeakPolarHBondContact O-CG 3.41Å; L21-M25 PolarHBondContact O-N 2.93Å
22	Y	67	Low	54.9	Low	126 Å²	126	97 Å²	97	49%	0.494	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-46.3	177.9	-176.1	-95.1	0	0	0	112.1	K18 Q19 C20 M25 R26	K18-Y22 WeakPolarHBondContact O-CB 3.36Å; K18-Y22 PolarHBondContact O-N 3.04Å; Q19-Y22 PolarHBondContact O-N 2.87Å; C20-Y22 VanDerWaalsContact C-N 3.35Å; C20-Y22 PolarHBondContact O-N 3.04Å; Y22-M25 PolarHBondContact O-N 3.24Å; Y22-R26 HydrophobicContact CE1-CG 4.41Å; Y22-R26 PolarHBondContact O-N 3.03Å; Y22-R26 PolarHBondContact OH-NE 3.04Å
23	V	64.3	Low	54.7	Low	45 Å²	45	97.3 Å²	97.3	27%	0.273	49%	0.492	S	S	.	.	H	α-helix	trans	-70	-36.6	178.3	174.6	0	0	0	0	111.9	Q19 C20 M25 R26 K27 F67	Q19-V23 PolarHBondContact O-N 3.06Å; C20-V23 PolarHBondContact O-N 3.49Å; V23-M25 VanDerWaalsContact C-N 3.34Å; V23-R26 PolarHBondContact O-N 2.78Å; V23-K27 PolarHBondContact O-N 3.19Å; V23-F67 HydrophobicContact CB-CE2 3.63Å; V23-F67 HydrophobicContact CB-CZ 3.67Å; V23-F67 HydrophobicContact CG1-CE2 3.66Å; V23-F67 HydrophobicContact CG1-CZ 4.14Å; V23-F67 HydrophobicContact CG2-CE2 3.98Å; V23-F67 HydrophobicContact CG2-CZ 3.54Å
24	L	57.3	Low	54.9	Low	62 Å²	62	105.2 Å²	105.2	33%	0.325	52%	0.52	S	S	.	.	H	α-helix	trans	-59.9	-46.2	172.2	-169.6	75.5	0	0	0	110.7	C20 L21 K27 V28 L63	C20-L24 VanDerWaalsContact O-CB 3.3Å; C20-L24 WeakPolarHBondContact O-CB 3.45Å; C20-L24 PolarHBondContact O-N 2.63Å; L21-L24 PolarHBondContact O-N 2.87Å; L24-K27 PolarHBondContact O-N 2.82Å; L24-V28 WeakPolarHBondContact O-CB 3.46Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.39Å; L24-V28 PolarHBondContact O-N 3.39Å; L24-L63 HydrophobicContact CD1-CD1 3.56Å; L24-L63 HydrophobicContact CD1-CD2 4.47Å
25	M	62	Low	54.6	Low	80 Å²	80	109.1 Å²	109.1	39%	0.394	54%	0.535	S	S	.	.	H	α-helix	trans	-65.9	-37.4	178.1	-71.1	-132.3	-96.4	0	0	112.6	M1 L21 Y22 V23 S29 W46	M1-M25 HydrophobicContact CE-CE 4.21Å; M1-M25 HydrophobicContact SD-CE 4.33Å; L21-M25 WeakPolarHBondContact O-CB 3.43Å; L21-M25 VanDerWaalsContact O-CG 3.25Å; L21-M25 WeakPolarHBondContact O-CG 3.41Å; L21-M25 PolarHBondContact O-N 2.93Å; Y22-M25 PolarHBondContact O-N 3.24Å; V23-M25 VanDerWaalsContact C-N 3.34Å; M25-S29 WeakPolarHBondContact O-CB 3.32Å; M25-S29 PolarHBondContact O-N 3.14Å; M25-W46 HydrophobicContact SD-CH2 4.4Å
26	R	60.7	Low	53.8	Low	152 Å²	152	109.7 Å²	109.7	57%	0.574	55%	0.551	S	S	*	*	H	α-helix	trans	-62.8	-49.2	172.6	-103.9	-168	176.5	-168.6	-1.1	112.2	Y22 V23 V28 S29 D30	Y22-R26 HydrophobicContact CE1-CG 4.41Å; Y22-R26 PolarHBondContact O-N 3.03Å; Y22-R26 PolarHBondContact OH-NE 3.04Å; V23-R26 PolarHBondContact O-N 2.78Å; R26-V28 VanDerWaalsContact C-N 3.32Å; R26-V28 PolarHBondContact O-N 2.91Å; R26-S29 WeakPolarHBondContact O-CA 3.43Å; R26-S29 WeakPolarHBondContact O-CB 3.44Å; R26-S29 PolarHBondContact O-N 3.12Å; R26-S29 VanDerWaalsContact O-N 3.08Å; R26-D30 VanDerWaalsContact O-CG 3.3Å; R26-D30 PolarHBondContact O-N 3.37Å
27	K	57.1	Low	53.1	Low	98 Å²	98	110.4 Å²	110.4	43%	0.426	57%	0.565	S	S	.	*	H	α-helix	trans	-64.1	-35.7	178.9	-78	-172.1	172.9	-173	0	112.8	V23 L24 D30 L31 L63	V23-K27 PolarHBondContact O-N 3.19Å; L24-K27 PolarHBondContact O-N 2.82Å; K27-D30 PolarHBondContact O-N 2.79Å; K27-L31 VanDerWaalsContact O-CG 3.32Å; K27-L31 WeakPolarHBondContact O-CG 3.49Å; K27-L31 PolarHBondContact O-N 2.97Å; K27-L63 HydrophobicContact CD-CD2 3.89Å
28	V	62.4	Low	52.2	Low	80 Å²	80	112.7 Å²	112.7	49%	0.485	58%	0.579	S	S	.	*	H	α-helix	trans	-68.3	-36.8	173.1	172.7	0	0	0	0	111	L24 R26 L31	L24-V28 WeakPolarHBondContact O-CB 3.46Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.39Å; L24-V28 PolarHBondContact O-N 3.39Å; R26-V28 VanDerWaalsContact C-N 3.32Å; R26-V28 PolarHBondContact O-N 2.91Å; V28-L31 PolarHBondContact O-N 3.02Å
29	S	58.5	Low	51.2	Low	77 Å²	77	112.7 Å²	112.7	54%	0.538	60%	0.598	S	S	.	*	H	α-helix	trans	-64.4	-37.8	173.5	-170.7	0	0	0	0	112.5	M25 R26 L31 L32	M25-S29 WeakPolarHBondContact O-CB 3.32Å; M25-S29 PolarHBondContact O-N 3.14Å; R26-S29 WeakPolarHBondContact O-CA 3.43Å; R26-S29 WeakPolarHBondContact O-CB 3.44Å; R26-S29 PolarHBondContact O-N 3.12Å; R26-S29 VanDerWaalsContact O-N 3.08Å; S29-L31 VanDerWaalsContact C-N 3.27Å; S29-L31 PolarHBondContact O-N 3.31Å; S29-L32 PolarHBondContact O-N 2.93Å
30	D	57.3	Low	50.3	Low	131 Å²	131	111.4 Å²	111.4	70%	0.701	61%	0.607	S	S	*	*	H	α-helix	trans	-71.6	-21.3	178.5	-63.7	-25.1	0	0	0	112.7	R26 K27	R26-D30 VanDerWaalsContact O-CG 3.3Å; R26-D30 PolarHBondContact O-N 3.37Å; K27-D30 PolarHBondContact O-N 2.79Å
31	L	52.3	Low	49.6	Very low	141 Å²	141	115.1 Å²	115.1	74%	0.738	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-5.7	177.9	-72.9	168.5	0	0	0	113.8	K27 V28 S29	K27-L31 VanDerWaalsContact O-CG 3.32Å; K27-L31 WeakPolarHBondContact O-CG 3.49Å; K27-L31 PolarHBondContact O-N 2.97Å; V28-L31 PolarHBondContact O-N 3.02Å; S29-L31 VanDerWaalsContact C-N 3.27Å; S29-L31 PolarHBondContact O-N 3.31Å
32	L	41.6	Very low	48.4	Very low	122 Å²	122	117.5 Å²	117.5	64%	0.639	64%	0.637	S	S	*	*	S	Bend	trans	-91.9	118.7	177.4	-73.5	169.9	0	0	0	110.2	S29 H34	S29-L32 PolarHBondContact O-N 2.93Å; L32-H34 PolarHBondContact O-N 3.3Å
33	P	42.2	Very low	47.1	Very low	118 Å²	118	116.3 Å²	116.3	77%	0.766	65%	0.646	S	S	*	*			trans	-65	128.2	178.8	24	-30.1	0	0	0	110.6	R35	P33-R35 PolarHBondContact O-N 3.17Å; P33-R35 VanDerWaalsContact O-N 3.13Å
34	H	42.5	Very low	45.8	Very low	195 Å²	195	118.9 Å²	118.9	90%	0.903	66%	0.662	S	S	*	*			trans	-39.4	111	175.4	-68.8	-72.6	0	0	0	113.6	L32	L32-H34 PolarHBondContact O-N 3.3Å
35	R	37.4	Very low	44.9	Very low	239 Å²	239	118.8 Å²	118.8	90%	0.902	67%	0.667	S	S	*	*			trans	-146.9	137.2	147.3	-79	-161.2	175	-179.3	-2.1	111.1	P33	P33-R35 PolarHBondContact O-N 3.17Å; P33-R35 VanDerWaalsContact O-N 3.13Å
36	S	35.5	Very low	43.7	Very low	115 Å²	115	122.5 Å²	122.5	80%	0.804	68%	0.676	S	S	*	*			trans	64.2	101.3	168.8	62.3	0	0	0	0	118.4	N38	S36-N38 PolarHBondContact O-N 3.26Å
37	S	32.2	Very low	42.6	Very low	115 Å²	115	120.8 Å²	120.8	80%	0.804	68%	0.683	S	S	*	*			trans	-48.6	105.1	146.5	49.6	0	0	0	0	112.1
38	N	36.4	Very low	41.6	Very low	135 Å²	135	124 Å²	124	72%	0.722	70%	0.697	S	S	*	*			trans	-164.6	117	145.3	-102.6	-15	0	0	0	109.3	S36 A40	S36-N38 PolarHBondContact O-N 3.26Å; N38-A40 PolarHBondContact O-N 2.88Å
39	A	35	Very low	40.3	Very low	105 Å²	105	124.3 Å²	124.3	87%	0.868	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	14	-174.4	0	0	0	0	0	114.5
40	A	40.1	Very low	39.1	Very low	86 Å²	86	131.9 Å²	131.9	71%	0.711	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	-0.7	-177.3	0	0	0	0	0	114.2	N38	N38-A40 PolarHBondContact O-N 2.88Å
41	D	40.1	Very low	38.2	Very low	117 Å²	117	133.7 Å²	133.7	63%	0.626	72%	0.72	S	S	*	*			trans	-105.8	12.1	-173.7	-120.2	-23.8	0	0	0	114.5	T44	D41-T44 PolarHBondContact OD1-OG1 3.08Å
42	L	35.5	Very low	37.3	Very low	129 Å²	129	134.7 Å²	134.7	68%	0.675	72%	0.719	S	S	*	*	S	Bend	trans	-86.8	-2.3	-177	-82.2	159.5	0	0	0	114.6	W46	L42-W46 PolarHBondContact O-NE1 2.73Å
43	S	38	Very low	36.9	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	73%	0.729	S	S	*	*	S	Bend	trans	-94.2	-14.4	175.9	63.7	0	0	0	0	113.6
44	T	38.2	Very low	36.4	Very low	99 Å²	99	139.1 Å²	139.1	61%	0.607	73%	0.727	S	S	*	*	S	Bend	trans	-103.1	-6.1	-173.3	6.8	0	0	0	0	114.3	D41	D41-T44 PolarHBondContact OD1-OG1 3.08Å
45	S	38.7	Very low	36.1	Very low	60 Å²	60	135.3 Å²	135.3	42%	0.42	71%	0.712	S	S	.	*	S	Bend	trans	-91.1	-10.1	176.3	75	0	0	0	0	114.6	T47 K48	S45-T47 VanDerWaalsContact C-N 3.32Å; S45-T47 PolarHBondContact O-N 2.5Å; S45-K48 PolarHBondContact O-N 3.48Å
46	W	35.9	Very low	35.7	Very low	158 Å²	158	130.5 Å²	130.5	60%	0.598	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-20	-174.5	-81.4	91.1	0	0	0	114.8	M25 L42 K48	M25-W46 HydrophobicContact SD-CH2 4.4Å; L42-W46 PolarHBondContact O-NE1 2.73Å; W46-K48 VanDerWaalsContact C-N 3.34Å
47	T	36.7	Very low	35.8	Very low	117 Å²	117	133.9 Å²	133.9	72%	0.718	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-18.2	177.8	-31.1	0	0	0	0	112.8	S45	S45-T47 VanDerWaalsContact C-N 3.32Å; S45-T47 PolarHBondContact O-N 2.5Å
48	K	36.7	Very low	36.1	Very low	164 Å²	164	132.1 Å²	132.1	71%	0.713	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-17.9	176.8	-83.5	-177.9	175.5	177.1	0	114.3	S45 W46 R50 Q51	S45-K48 PolarHBondContact O-N 3.48Å; W46-K48 VanDerWaalsContact C-N 3.34Å; K48-R50 PolarHBondContact O-N 2.94Å; K48-Q51 PolarHBondContact O-N 3.09Å
49	V	35.4	Very low	36.2	Very low	88 Å²	88	129.2 Å²	129.2	53%	0.533	67%	0.668	S	S	.	*	G	3₁₀ helix	trans	-72.9	-18.8	177.9	-178.7	0	0	0	0	112.2	Q51 F52	V49-Q51 PolarHBondContact O-N 3.09Å; V49-Q51 VanDerWaalsContact O-N 3.17Å; V49-F52 PolarHBondContact O-N 3.04Å
50	R	34.1	Very low	36.2	Very low	236 Å²	236	127.6 Å²	127.6	89%	0.891	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-67.4	-8.3	172.2	-84.8	-175.3	171.4	179.9	-1.4	114.8	K48	K48-R50 PolarHBondContact O-N 2.94Å
51	Q	37.6	Very low	36.2	Very low	168 Å²	168	127.8 Å²	127.8	79%	0.785	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-101.5	-1.6	179.2	-86.1	-177.3	-22.1	0	0	115.2	K48 V49 K53	K48-Q51 PolarHBondContact O-N 3.09Å; V49-Q51 PolarHBondContact O-N 3.09Å; V49-Q51 VanDerWaalsContact O-N 3.17Å; Q51-K53 PolarHBondContact O-N 3.03Å
52	F	32.6	Very low	36.1	Very low	162 Å²	162	127.8 Å²	127.8	71%	0.711	63%	0.633	S	S	*	*			trans	-80.1	72.6	173.6	-89.1	-87.5	0	0	0	111.9	V49 L54	V49-F52 PolarHBondContact O-N 3.04Å; F52-L54 PolarHBondContact O-N 3.44Å; F52-L54 VanDerWaalsContact O-N 3.13Å
53	K	33.2	Very low	36.1	Very low	198 Å²	198	123.8 Å²	123.8	86%	0.861	61%	0.611	S	S	*	*			trans	-69.4	81.3	145.7	-81.5	-177.1	172.8	-178.7	0	106.7	Q51	Q51-K53 PolarHBondContact O-N 3.03Å
54	L	33.1	Very low	36	Very low	136 Å²	136	127 Å²	127	71%	0.712	61%	0.608	S	S	*	*			trans	179.1	67.8	168.7	-97.2	152.4	0	0	0	109.1	F52	F52-L54 PolarHBondContact O-N 3.44Å; F52-L54 VanDerWaalsContact O-N 3.13Å
55	I	35.3	Very low	36.1	Very low	114 Å²	114	128.6 Å²	128.6	59%	0.585	61%	0.607	S	S	*	*			trans	-127.5	105.7	148.5	-60.1	179.5	0	0	0	104.1	W57 L60	I55-W57 PolarHBondContact O-N 2.93Å; I55-L60 HydrophobicContact CG2-CD1 4.19Å; I55-L60 HydrophobicContact CG2-CG 4.32Å
56	E	30	Very low	36	Very low	138 Å²	138	131.3 Å²	131.3	65%	0.645	62%	0.617	S	S	*	*			trans	-61.3	137.9	173.4	-63.4	-169.5	154.1	0	0	108.6	P58 T59	E56-P58 HydrophobicContact CB-CG 4.43Å; E56-P58 VanDerWaalsContact O-CD 3.23Å; E56-P58 WeakPolarHBondContact O-CD 3.39Å; E56-T59 PolarHBondContact O-N 3.38Å; E56-T59 PolarHBondContact O-OG1 2.9Å
57	W	37	Very low	36.2	Very low	187 Å²	187	127.6 Å²	127.6	71%	0.708	61%	0.605	S	S	*	*	H	α-helix	trans	-47.9	-26	178.6	-86.4	87.8	0	0	0	116.6	I55 T59 N61	I55-W57 PolarHBondContact O-N 2.93Å; W57-T59 VanDerWaalsContact C-N 3.32Å; W57-T59 PolarHBondContact O-N 3.41Å; W57-N61 PolarHBondContact O-N 3.14Å
58	P	37.7	Very low	36.4	Very low	77 Å²	77	126.5 Å²	126.5	50%	0.5	59%	0.594	S	S	.	*	H	α-helix	trans	-62.8	-32.8	174.9	-21.9	34.4	0	0	0	113.9	E56 N61 L62	E56-P58 HydrophobicContact CB-CG 4.43Å; E56-P58 VanDerWaalsContact O-CD 3.23Å; E56-P58 WeakPolarHBondContact O-CD 3.39Å; P58-N61 PolarHBondContact O-N 2.71Å; P58-L62 PolarHBondContact O-N 3.3Å
59	T	38.5	Very low	36.6	Very low	74 Å²	74	121.9 Å²	121.9	45%	0.454	59%	0.593	S	S	.	*	H	α-helix	trans	-75	-29.4	-175.1	-27	0	0	0	0	112.3	E56 W57	E56-T59 PolarHBondContact O-N 3.38Å; E56-T59 PolarHBondContact O-OG1 2.9Å; W57-T59 VanDerWaalsContact C-N 3.32Å; W57-T59 PolarHBondContact O-N 3.41Å
60	L	35.8	Very low	37.4	Very low	72 Å²	72	125.3 Å²	125.3	38%	0.377	61%	0.609	S	S	.	*	H	α-helix	trans	-74.9	-31.4	173.3	-88.3	156.4	0	0	0	112.4	I55 L63 W64	I55-L60 HydrophobicContact CG2-CD1 4.19Å; I55-L60 HydrophobicContact CG2-CG 4.32Å; L60-L63 PolarHBondContact O-N 2.98Å; L60-W64 PolarHBondContact O-N 3.3Å
61	N	40.6	Very low	38.7	Very low	90 Å²	90	117 Å²	117	48%	0.481	58%	0.581	S	S	.	*	H	α-helix	trans	-62.8	-43.2	172	-99.8	-16.6	0	0	0	111.3	W57 P58 L63 W64 F65	W57-N61 PolarHBondContact O-N 3.14Å; P58-N61 PolarHBondContact O-N 2.71Å; N61-L63 PolarHBondContact O-N 3.43Å; N61-W64 PolarHBondContact O-N 2.91Å; N61-F65 WeakPolarHBondContact O-CB 3.44Å; N61-F65 VanDerWaalsContact O-CD2 3.3Å; N61-F65 WeakPolarHBondContact O-CD2 3.34Å; N61-F65 PolarHBondContact O-N 3.35Å
62	L	38.1	Very low	40.1	Very low	117 Å²	117	112 Å²	112	61%	0.613	56%	0.564	S	S	*	*	H	α-helix	trans	-60.5	-29.7	176.7	-89.4	151	0	0	0	113.8	P58 N66	P58-L62 PolarHBondContact O-N 3.3Å; L62-N66 PolarHBondContact O-ND2 3.19Å
63	L	35.1	Very low	42.8	Very low	44 Å²	44	111.9 Å²	111.9	23%	0.23	56%	0.558	C	S	.	*	H	α-helix	trans	-84.8	-32.1	176.5	-81.2	151.1	0	0	0	112.8	L24 K27 L60 N61 N66	L24-L63 HydrophobicContact CD1-CD1 3.56Å; L24-L63 HydrophobicContact CD1-CD2 4.47Å; K27-L63 HydrophobicContact CD-CD2 3.89Å; L60-L63 PolarHBondContact O-N 2.98Å; N61-L63 PolarHBondContact O-N 3.43Å; L63-N66 PolarHBondContact O-N 2.81Å
64	W	35.5	Very low	45.8	Very low	167 Å²	167	103.9 Å²	103.9	63%	0.633	53%	0.525	S	S	*	.	H	α-helix	trans	-69.2	-37.8	172	-111.4	71.4	0	0	0	112.6	L60 N61 N66 F67	L60-W64 PolarHBondContact O-N 3.3Å; N61-W64 PolarHBondContact O-N 2.91Å; W64-N66 PolarHBondContact O-N 2.73Å; W64-F67 PolarHBondContact O-N 3.15Å
65	F	41.1	Very low	48.7	Very low	133 Å²	133	98.4 Å²	98.4	58%	0.583	50%	0.496	S	S	*	.	H	α-helix	trans	-66.7	-23.8	176.4	-94.4	-81.6	0	0	0	113.6	N61 F243	N61-F65 WeakPolarHBondContact O-CB 3.44Å; N61-F65 VanDerWaalsContact O-CD2 3.3Å; N61-F65 WeakPolarHBondContact O-CD2 3.34Å; N61-F65 PolarHBondContact O-N 3.35Å; F65-F243 HydrophobicContact CZ-CE1 4.36Å
66	N	36.5	Very low	51.6	Low	117 Å²	117	97.2 Å²	97.2	63%	0.626	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.8	176.8	-78	-50.5	0	0	0	113.8	L62 L63 W64	L62-N66 PolarHBondContact O-ND2 3.19Å; L63-N66 PolarHBondContact O-N 2.81Å; W64-N66 PolarHBondContact O-N 2.73Å
67	F	40.1	Very low	54.8	Low	80 Å²	80	90.8 Å²	90.8	35%	0.351	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-8	-175.3	-112.2	-83.9	0	0	0	114.6	V23 W64	V23-F67 HydrophobicContact CB-CE2 3.63Å; V23-F67 HydrophobicContact CB-CZ 3.67Å; V23-F67 HydrophobicContact CG1-CE2 3.66Å; V23-F67 HydrophobicContact CG1-CZ 4.14Å; V23-F67 HydrophobicContact CG2-CE2 3.98Å; V23-F67 HydrophobicContact CG2-CZ 3.54Å; W64-F67 PolarHBondContact O-N 3.15Å
68	L	39.4	Very low	57.7	Low	94 Å²	94	86.9 Å²	86.9	49%	0.492	45%	0.449	S	S	.	.	S	Bend	trans	-84	108.8	159.4	-68.2	165.6	0	0	0	105.2	D70	L68-D70 PolarHBondContact O-N 3.28Å
69	G	41.5	Very low	60.4	Low	67 Å²	67	83.7 Å²	83.7	69%	0.691	43%	0.429	S	S	*	.			trans	-43.7	138.5	178.9	0	0	0	0	0	110.9	I71	G69-I71 VanDerWaalsContact C-N 3.34Å; G69-I71 PolarHBondContact O-N 2.86Å
70	D	52.9	Low	63.1	Low	160 Å²	160	87 Å²	87	86%	0.856	44%	0.439	S	S	*	.			trans	-38.7	91.8	-168.2	-77.2	-44.1	0	0	0	112.3	L68 P72	L68-D70 PolarHBondContact O-N 3.28Å; D70-P72 WeakPolarHBondContact O-CD 3.25Å; D70-P72 VanDerWaalsContact O-N 3.14Å
71	I	61.9	Low	65.8	Low	62 Å²	62	86.3 Å²	86.3	32%	0.318	43%	0.434	S	S	.	.			trans	-64.8	121.4	171.9	-58	-179.5	0	0	0	104.5	G69 R73 I215	G69-I71 VanDerWaalsContact C-N 3.34Å; G69-I71 PolarHBondContact O-N 2.86Å; I71-R73 PolarHBondContact O-N 3.21Å; I71-I215 HydrophobicContact CB-CD1 4.49Å; I71-I215 HydrophobicContact CD1-CD1 3.49Å; I71-I215 VanDerWaalsContact CD1-CD1 3.49Å; I71-I215 HydrophobicContact CD1-CG1 3.62Å; I71-I215 HydrophobicContact CG2-CD1 3.71Å
72	P	65.9	Low	68.1	Low	64 Å²	64	89.1 Å²	89.1	42%	0.416	44%	0.444	S	S	.	.			trans	-58.9	131.8	-172.3	-17.3	27.4	0	0	0	109.1	D70 I74 E75	D70-P72 WeakPolarHBondContact O-CD 3.25Å; D70-P72 VanDerWaalsContact O-N 3.14Å; P72-I74 PolarHBondContact O-N 3.11Å; P72-E75 HydrophobicContact CB-CG 3.62Å; P72-E75 HydrophobicContact CG-CG 3.8Å
73	R	89.3	Confident	70.4	Confident	158 Å²	158	85.8 Å²	85.8	60%	0.596	43%	0.43	S	S	*	.	S	Bend	trans	-64.2	-36.9	177.2	-65.8	166.6	-178.5	-172.4	3.7	110.4	I71 N240 Y250	I71-R73 PolarHBondContact O-N 3.21Å; R73-N240 PolarHBondContact O-N 3.18Å; R73-Y250 HydrophobicContact CB-CD1 4.25Å; R73-Y250 HydrophobicContact CB-CE1 3.76Å; R73-Y250 HydrophobicContact CB-CE2 4.24Å; R73-Y250 HydrophobicContact CG-CE1 3.84Å
74	I	95.4	Very high	72.9	Confident	31 Å²	31	86.9 Å²	86.9	16%	0.159	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.7	173.6	-57.9	178	0	0	0	107.2	P72 Y237 L238 V239 Y250 L261 E262	P72-I74 PolarHBondContact O-N 3.11Å; I74-Y237 HydrophobicContact CG2-CD1 3.81Å; I74-Y237 HydrophobicContact CG2-CG 4.4Å; I74-L238 WeakPolarHBondContact CA-O 3.4Å; I74-V239 HydrophobicContact CG1-CG1 4.16Å; I74-V239 HydrophobicContact CG1-CG2 4.28Å; I74-V239 HydrophobicContact CG2-CG2 4.36Å; I74-Y250 HydrophobicContact CD1-CD2 4.07Å; I74-Y250 HydrophobicContact CG1-CD2 4.15Å; I74-L261 HydrophobicContact CD1-CB 4.28Å; I74-E262 WeakPolarHBondContact CD1-O 3.36Å
75	E	95.3	Very high	75.2	Confident	21 Å²	21	80 Å²	80	10%	0.098	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.1	171.1	-62	172.9	-131.4	0	0	108.8	P72 I77 R218 Y237 L238	P72-E75 HydrophobicContact CB-CG 3.62Å; P72-E75 HydrophobicContact CG-CG 3.8Å; E75-I77 HydrophobicContact CB-CD1 4.4Å; E75-R218 IonicContact OE1-CZ 3.31Å; E75-R218 IonicContact OE1-NE 3.65Å; E75-R218 PolarHBondContact OE1-NE 3.41Å; E75-R218 IonicContact OE1-NH2 2.68Å; E75-R218 IonicContact OE2-CZ 3.44Å; E75-R218 IonicContact OE2-NE 3.24Å; E75-R218 PolarHBondContact OE2-NE 3.03Å; E75-R218 IonicContact OE2-NH2 3.27Å; E75-R218 PolarHBondContact OE2-NH2 3.26Å; E75-Y237 CarbonylContact O-C 3.6Å; E75-Y237 WeakPolarHBondContact O-CA 3.42Å; E75-L238 HydrophobicContact CB-CB 4.13Å; E75-L238 HydrophobicContact CB-CD2 4.5Å; E75-L238 PolarHBondContact N-O 3.4Å; E75-L238 PolarHBondContact O-N 3.38Å
76	I	96.6	Very high	77.4	Confident	89 Å²	89	79 Å²	79	46%	0.456	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.7	177.6	-62.6	179.9	0	0	0	107	I235 Y237	I76-I235 HydrophobicContact CG2-CG2 3.61Å; I76-Y237 HydrophobicContact CD1-CE1 4.38Å; I76-Y237 HydrophobicContact CG1-CD1 4.16Å; I76-Y237 HydrophobicContact CG1-CE1 4.02Å
77	I	96.6	Very high	79.8	Confident	3 Å²	3	77.2 Å²	77.2	2%	0.015	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.9	179.6	-52.5	-55.9	0	0	0	108.8	E75 E81 Y222 A225 L226 A229 I235 V236 L238	E75-I77 HydrophobicContact CB-CD1 4.4Å; I77-E81 WeakPolarHBondContact CA-OE2 3.33Å; I77-E81 WeakPolarHBondContact CG2-OE2 3.49Å; I77-Y222 HydrophobicContact CD1-CD2 3.9Å; I77-Y222 HydrophobicContact CD1-CE2 3.74Å; I77-A225 HydrophobicContact CB-CB 4.48Å; I77-A225 HydrophobicContact CG1-CB 3.88Å; I77-L226 HydrophobicContact CG2-CB 4.22Å; I77-L226 HydrophobicContact CG2-CD1 3.96Å; I77-A229 HydrophobicContact CG2-CB 4.04Å; I77-I235 WeakPolarHBondContact O-CA 3.42Å; I77-V236 HydrophobicContact CB-CB 4.42Å; I77-V236 WeakPolarHBondContact CB-O 3.48Å; I77-V236 PolarHBondContact N-O 2.98Å; I77-V236 PolarHBondContact O-N 2.92Å; I77-L238 HydrophobicContact CD1-CB 4.49Å; I77-L238 HydrophobicContact CG1-CB 4.04Å
78	E	97.3	Very high	82	Confident	104 Å²	104	73.4 Å²	73.4	49%	0.486	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-95.8	147.3	-176.9	-65.5	-170.8	176	0	0	111.5	E80 E81	E78-E80 PolarHBondContact O-N 3.15Å; E78-E81 PolarHBondContact N-OE2 3.07Å; E78-E81 VanDerWaalsContact O-CB 3.24Å; E78-E81 WeakPolarHBondContact O-CB 3.5Å; E78-E81 PolarHBondContact O-N 2.94Å; E78-E81 VanDerWaalsContact O-N 3.13Å
79	P	95.5	Very high	84.2	Confident	11 Å²	11	69.2 Å²	69.2	7%	0.071	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.8	177.9	-25.1	34	0	0	0	114.1	E81 K230 K233	P79-E81 VanDerWaalsContact C-N 3.35Å; P79-K230 WeakPolarHBondContact O-CG 3.31Å; P79-K230 PolarHBondContact O-NZ 2.8Å; P79-K233 HydrophobicContact CB-CD 4.32Å; P79-K233 VanDerWaalsContact CG-C 3.45Å
80	E	94.8	Very high	86.2	Confident	143 Å²	143	67.6 Å²	67.6	67%	0.668	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.7	-177.5	-65.2	69.2	-150.3	0	0	113.1	E78 E82	E78-E80 PolarHBondContact O-N 3.15Å; E80-E82 PolarHBondContact O-N 2.69Å
81	E	92.8	Very high	87.7	Confident	58 Å²	58	63.5 Å²	63.5	27%	0.271	32%	0.32	S	S	.	.			trans	-55.5	136.1	-175	-174.3	167.2	173.8	0	0	112.2	I77 E78 P79 Y222 L226 K230	I77-E81 WeakPolarHBondContact CA-OE2 3.33Å; I77-E81 WeakPolarHBondContact CG2-OE2 3.49Å; E78-E81 PolarHBondContact N-OE2 3.07Å; E78-E81 VanDerWaalsContact O-CB 3.24Å; E78-E81 WeakPolarHBondContact O-CB 3.5Å; E78-E81 PolarHBondContact O-N 2.94Å; E78-E81 VanDerWaalsContact O-N 3.13Å; P79-E81 VanDerWaalsContact C-N 3.35Å; E81-Y222 PolarHBondContact OE1-OH 2.82Å; E81-L226 HydrophobicContact CB-CD1 3.8Å; E81-L226 HydrophobicContact CG-CD1 4.12Å; E81-K230 WeakPolarHBondContact O-CE 3.45Å; E81-K230 PolarHBondContact O-NZ 3.08Å
82	E	89.3	Confident	88.8	Confident	148 Å²	148	65.1 Å²	65.1	69%	0.692	33%	0.326	S	S	*	.			trans	-67.1	138.4	-173.9	-172.3	174.2	-173.6	0	0	111.9	E80 I84	E80-E82 PolarHBondContact O-N 2.69Å; E82-I84 HydrophobicContact CB-CG1 4.42Å; E82-I84 HydrophobicContact CG-CG1 4.21Å; E82-I84 PolarHBondContact O-N 2.71Å; E82-I84 VanDerWaalsContact O-N 3.14Å
83	C	84.9	Confident	89.8	Confident	47 Å²	47	62.2 Å²	62.2	32%	0.318	31%	0.308	S	S	.	.			trans	-80.1	90.4	176.8	-90.6	0	0	0	0	111.2	P85 Y181 K230	C83-P85 WeakPolarHBondContact O-CD 3.35Å; C83-Y181 WeakPolarHBondContact CA-OH 3.42Å; C83-Y181 HydrophobicContact CB-CD2 4.21Å; C83-Y181 HydrophobicContact CB-CE2 3.36Å; C83-Y181 WeakPolarHBondContact CB-OH 3.5Å; C83-Y181 WeakPolarHBondContact SG-CE2 3.47Å; C83-K230 WeakPolarHBondContact SG-CE 3.46Å
84	I	87.5	Confident	89.5	Confident	67 Å²	67	56.6 Å²	56.6	34%	0.344	29%	0.289	S	S	.	.			trans	-96.2	111.8	179.3	-56.5	174.9	0	0	0	111	E82 E86 E87 H88 Y181	E82-I84 HydrophobicContact CB-CG1 4.42Å; E82-I84 HydrophobicContact CG-CG1 4.21Å; E82-I84 PolarHBondContact O-N 2.71Å; E82-I84 VanDerWaalsContact O-N 3.14Å; I84-E86 VanDerWaalsContact C-N 3.33Å; I84-E86 HydrophobicContact CG2-CB 4.39Å; I84-E86 VanDerWaalsContact CG2-OE2 3.31Å; I84-E86 WeakPolarHBondContact CG2-OE2 3.22Å; I84-E86 PolarHBondContact O-N 2.76Å; I84-E87 HydrophobicContact CB-CG 4.19Å; I84-E87 HydrophobicContact CG2-CG 4.23Å; I84-E87 PolarHBondContact O-N 3.09Å; I84-H88 PolarHBondContact O-CE1 3.49Å; I84-H88 PolarHBondContact O-ND1 3.38Å; I84-Y181 PolarHBondContact N-OH 3.13Å
85	P	85.4	Confident	88.9	Confident	24 Å²	24	60 Å²	60	16%	0.156	32%	0.316	C	S	.	.	H	α-helix	trans	-48.6	-45.9	179.7	-31.5	39.5	0	0	0	114.9	C83 E87 H88 F89 I94	C83-P85 WeakPolarHBondContact O-CD 3.35Å; P85-E87 PolarHBondContact O-N 3.33Å; P85-E87 VanDerWaalsContact O-N 3.13Å; P85-H88 WeakPolarHBondContact CA-CE1 3.24Å; P85-H88 PolarHBondContact O-N 2.98Å; P85-H88 VanDerWaalsContact O-N 3.09Å; P85-H88 PolarHBondContact O-ND1 3.41Å; P85-F89 WeakPolarHBondContact O-CB 3.46Å; P85-F89 PolarHBondContact O-N 3.26Å; P85-I94 HydrophobicContact CB-CD1 3.93Å; P85-I94 HydrophobicContact CB-CG1 4Å; P85-I94 HydrophobicContact CB-CG2 4.16Å
86	E	87.3	Confident	88.5	Confident	111 Å²	111	60.1 Å²	60.1	52%	0.519	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-24.2	-173.8	-66.2	71.3	-158.6	0	0	113.2	I84 I94 K219	I84-E86 VanDerWaalsContact C-N 3.33Å; I84-E86 HydrophobicContact CG2-CB 4.39Å; I84-E86 VanDerWaalsContact CG2-OE2 3.31Å; I84-E86 WeakPolarHBondContact CG2-OE2 3.22Å; I84-E86 PolarHBondContact O-N 2.76Å; E86-I94 HydrophobicContact CB-CD1 4.4Å; E86-I94 HydrophobicContact CG-CD1 3.83Å; E86-K219 PolarHBondContact O-NZ 2.88Å
87	E	86.3	Confident	88.2	Confident	80 Å²	80	64.5 Å²	64.5	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-73.6	-30.8	178.4	-72.5	-61	146.7	0	0	112.2	I84 P85 R218 K219 Y222	I84-E87 HydrophobicContact CB-CG 4.19Å; I84-E87 HydrophobicContact CG2-CG 4.23Å; I84-E87 PolarHBondContact O-N 3.09Å; P85-E87 PolarHBondContact O-N 3.33Å; P85-E87 VanDerWaalsContact O-N 3.13Å; E87-R218 IonicContact OE2-NH1 2.76Å; E87-K219 WeakPolarHBondContact O-CG 3.46Å; E87-K219 PolarHBondContact O-NZ 3.09Å; E87-Y222 HydrophobicContact CB-CD1 4.08Å; E87-Y222 HydrophobicContact CB-CE1 3.72Å
88	H	86.1	Confident	88	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-124.4	-7.1	-170.8	63.2	-67.1	0	0	0	115.2	I84 P85 K172 Y181 Y184 K219 Y222	I84-H88 PolarHBondContact O-CE1 3.49Å; I84-H88 PolarHBondContact O-ND1 3.38Å; P85-H88 WeakPolarHBondContact CA-CE1 3.24Å; P85-H88 PolarHBondContact O-N 2.98Å; P85-H88 VanDerWaalsContact O-N 3.09Å; P85-H88 PolarHBondContact O-ND1 3.41Å; H88-K172 WeakPolarHBondContact O-CB 3.41Å; H88-Y181 AromaticContact CD2-CE1 3.74Å; H88-Y181 AromaticContact CD2-CZ 3.88Å; H88-Y181 AromaticContact CE1-CE1 3.64Å; H88-Y181 AromaticContact CE1-CE2 3.32Å; H88-Y181 WeakPolarHBondContact CE1-CE2 3.03Å; H88-Y181 AromaticContact CE1-CZ 2.96Å; H88-Y181 PolarHBondContact CE1-OH 3.02Å; H88-Y181 AromaticContact ND1-CZ 3.73Å; H88-Y181 PolarHBondContact ND1-OH 3Å; H88-Y181 AromaticContact NE2-CD1 3.81Å; H88-Y181 AromaticContact NE2-CD2 3.8Å; H88-Y181 AromaticContact NE2-CE1 3.3Å; H88-Y181 VanDerWaalsContact NE2-CE1 3.3Å; H88-Y181 WeakPolarHBondContact NE2-CE1 3.03Å; H88-Y181 AromaticContact NE2-CE2 3.27Å; H88-Y181 VanDerWaalsContact NE2-CE2 3.27Å; H88-Y181 WeakPolarHBondContact NE2-CE2 3.16Å; H88-Y181 AromaticContact NE2-CZ 3.03Å; H88-Y181 PolarHBondContact NE2-OH 2.98Å; H88-Y184 AromaticContact CD2-CE2 3.68Å; H88-Y184 PolarHBondContact O-OH 3.12Å; H88-K219 WeakPolarHBondContact CA-O 3.16Å; H88-K219 WeakPolarHBondContact CB-O 3.47Å; H88-K219 WeakPolarHBondContact O-CG 3.28Å; H88-Y222 HydrophobicContact CB-CD1 4.17Å
89	F	85.2	Confident	87.9	Confident	6 Å²	6	62.1 Å²	62.1	3%	0.026	32%	0.319	C	S	.	.	S	Bend	trans	-110.9	158.5	174.9	-83	-80.7	0	0	0	114	P85 V93 I94 N171 K172 V174 G180 Y184 K219	P85-F89 WeakPolarHBondContact O-CB 3.46Å; P85-F89 PolarHBondContact O-N 3.26Å; F89-V93 HydrophobicContact CD1-CB 3.91Å; F89-V93 HydrophobicContact CD1-CG1 3.47Å; F89-V93 VanDerWaalsContact CD1-CG1 3.47Å; F89-V93 HydrophobicContact CE1-CG1 3.83Å; F89-V93 HydrophobicContact CG-CG1 4.48Å; F89-I94 HydrophobicContact CB-CD1 4.25Å; F89-I94 HydrophobicContact CB-CG1 3.79Å; F89-N171 WeakPolarHBondContact CE1-O 3.37Å; F89-N171 WeakPolarHBondContact CZ-O 3.5Å; F89-K172 VanDerWaalsContact CD1-O 3.24Å; F89-K172 WeakPolarHBondContact CD1-O 3.31Å; F89-V174 WeakPolarHBondContact CE1-O 3.49Å; F89-G180 VanDerWaalsContact CE2-C 3.43Å; F89-G180 VanDerWaalsContact CE2-O 3.31Å; F89-G180 WeakPolarHBondContact CE2-O 2.99Å; F89-G180 VanDerWaalsContact CZ-C 3.44Å; F89-G180 WeakPolarHBondContact CZ-O 3.37Å; F89-Y184 AromaticContact CE2-CE2 3.96Å; F89-Y184 HydrophobicContact CE2-CE2 3.96Å; F89-Y184 AromaticContact CZ-CE2 3.88Å; F89-Y184 HydrophobicContact CZ-CE2 3.88Å; F89-K219 WeakPolarHBondContact O-CE 3.48Å; F89-K219 PolarHBondContact O-NZ 2.72Å
90	Y	84.1	Confident	87.8	Confident	32 Å²	32	65.1 Å²	65.1	13%	0.125	34%	0.338	C	S	.	.			trans	-73	145.6	160	-64.5	-52.8	0	0	0	109.9	E92 V93 K172 K219 T482 L485	Y90-E92 PolarHBondContact O-N 3.22Å; Y90-V93 WeakPolarHBondContact O-CB 3.32Å; Y90-V93 PolarHBondContact O-N 3.4Å; Y90-K172 HydrophobicContact CD2-CG 4.2Å; Y90-K172 HydrophobicContact CE1-CD 4.4Å; Y90-K172 HydrophobicContact CE2-CD 3.98Å; Y90-K172 HydrophobicContact CE2-CG 3.81Å; Y90-K172 PolarHBondContact N-O 3.18Å; Y90-K172 VanDerWaalsContact OH-CE 3.24Å; Y90-K172 WeakPolarHBondContact OH-CE 3.48Å; Y90-K172 PolarHBondContact OH-NZ 2.97Å; Y90-K219 HydrophobicContact CD1-CD 4.42Å; Y90-K219 HydrophobicContact CE1-CD 4.45Å; Y90-T482 HydrophobicContact CD1-CG2 4.06Å; Y90-T482 HydrophobicContact CE1-CG2 3.99Å; Y90-T482 HydrophobicContact CE2-CG2 4.48Å; Y90-T482 HydrophobicContact CG-CG2 4.37Å; Y90-L485 HydrophobicContact CD2-CD2 3.97Å; Y90-L485 HydrophobicContact CE2-CD2 4.22Å
91	A	85.1	Confident	87.8	Confident	75 Å²	75	59.9 Å²	59.9	62%	0.62	32%	0.316	S	S	*	.	H	α-helix	trans	-57.4	-38.5	-175.7	0	0	0	0	0	111.9	V93 I94	A91-V93 PolarHBondContact O-N 2.96Å; A91-I94 PolarHBondContact O-N 3.46Å
92	E	84.3	Confident	87.9	Confident	95 Å²	95	57.1 Å²	57.1	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-25.1	179.1	-57	91.1	152	0	0	112.9	Y90 S96 L487	Y90-E92 PolarHBondContact O-N 3.22Å; E92-S96 PolarHBondContact O-OG 3.46Å; E92-L487 HydrophobicContact CB-CD1 4.17Å
93	V	86.5	Confident	88.1	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-82	-34.4	-177	-179.4	0	0	0	0	111.8	F89 Y90 A91 S95 S96 P175 L487	F89-V93 HydrophobicContact CD1-CB 3.91Å; F89-V93 HydrophobicContact CD1-CG1 3.47Å; F89-V93 VanDerWaalsContact CD1-CG1 3.47Å; F89-V93 HydrophobicContact CE1-CG1 3.83Å; F89-V93 HydrophobicContact CG-CG1 4.48Å; Y90-V93 WeakPolarHBondContact O-CB 3.32Å; Y90-V93 PolarHBondContact O-N 3.4Å; A91-V93 PolarHBondContact O-N 2.96Å; V93-S95 PolarHBondContact O-N 3.27Å; V93-S96 PolarHBondContact O-N 2.86Å; V93-P175 HydrophobicContact CG1-CB 4.14Å; V93-L487 HydrophobicContact CG2-CD1 4.31Å; V93-L487 HydrophobicContact CG2-CD2 3.77Å
94	I	84	Confident	88.6	Confident	39 Å²	39	58.6 Å²	58.6	20%	0.2	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-34.3	-172.4	-61.9	171.3	0	0	0	111.5	P85 E86 F89 A91	P85-I94 HydrophobicContact CB-CD1 3.93Å; P85-I94 HydrophobicContact CB-CG1 4Å; P85-I94 HydrophobicContact CB-CG2 4.16Å; E86-I94 HydrophobicContact CB-CD1 4.4Å; E86-I94 HydrophobicContact CG-CD1 3.83Å; F89-I94 HydrophobicContact CB-CD1 4.25Å; F89-I94 HydrophobicContact CB-CG1 3.79Å; A91-I94 PolarHBondContact O-N 3.46Å
95	S	81.3	Confident	89	Confident	103 Å²	103	55.4 Å²	55.4	72%	0.72	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-4.7	178.7	55.5	0	0	0	0	114.7	V93	V93-S95 PolarHBondContact O-N 3.27Å
96	S	87.6	Confident	89.4	Confident	23 Å²	23	54.4 Å²	54.4	16%	0.161	28%	0.277	C	S	.	.			trans	-85.1	157.6	-174.7	-81.9	0	0	0	0	112.3	E92 V93 P175 D489	E92-S96 PolarHBondContact O-OG 3.46Å; V93-S96 PolarHBondContact O-N 2.86Å; S96-P175 WeakPolarHBondContact O-CB 3.49Å; S96-D489 WeakPolarHBondContact CB-OD2 3.45Å; S96-D489 PolarHBondContact OG-OD2 2.87Å
97	R	89.9	Confident	89.7	Confident	182 Å²	182	54.3 Å²	54.3	69%	0.687	27%	0.272	S	S	*	.			trans	-117.3	129.9	175	-66.2	-178.7	178.8	-174.4	-0.5	109.9	H99 D489 E490	R97-H99 PolarHBondContact O-N 3.26Å; R97-D489 CarbonylContact O-C 3.24Å; R97-D489 WeakPolarHBondContact O-CA 3.3Å; R97-D489 WeakPolarHBondContact O-CB 3.24Å; R97-E490 HydrophobicContact CB-CG 4.42Å; R97-E490 PolarHBondContact O-N 3.45Å
98	I	92.6	Very high	90.2	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.067	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-57.4	134.9	177.6	-170.9	166.2	0	0	0	111.8	V102 R103 L106 P175	I98-V102 HydrophobicContact CD1-CB 4.4Å; I98-V102 HydrophobicContact CD1-CG1 4.05Å; I98-V102 HydrophobicContact CG1-CB 4.16Å; I98-V102 HydrophobicContact CG1-CG1 4.23Å; I98-R103 HydrophobicContact CD1-CB 4.31Å; I98-R103 HydrophobicContact CG1-CB 4.34Å; I98-R103 HydrophobicContact CG2-CB 4.1Å; I98-R103 HydrophobicContact CG2-CG 4.19Å; I98-L106 HydrophobicContact CD1-CD1 3.49Å; I98-L106 VanDerWaalsContact CD1-CD1 3.49Å; I98-P175 HydrophobicContact CB-CG 4.11Å; I98-P175 WeakPolarHBondContact CB-O 3.45Å; I98-P175 PolarHBondContact N-O 2.92Å
99	H	94.5	Very high	90.7	Very high	44 Å²	44	53.6 Å²	53.6	20%	0.204	28%	0.276	C	S	.	.			trans	-62.8	135.8	176.7	-171.5	-84.3	0	0	0	110.8	R97 T101 V102 R103 V488 F493	R97-H99 PolarHBondContact O-N 3.26Å; H99-T101 VanDerWaalsContact C-N 3.33Å; H99-T101 PolarHBondContact CE1-OG1 3.09Å; H99-T101 VanDerWaalsContact CE1-OG1 3.25Å; H99-T101 PolarHBondContact ND1-N 3.29Å; H99-T101 PolarHBondContact ND1-OG1 3.34Å; H99-T101 PolarHBondContact O-N 3.21Å; H99-V102 HydrophobicContact CB-CB 4.47Å; H99-V102 HydrophobicContact CB-CG2 4.11Å; H99-V102 PolarHBondContact O-N 2.86Å; H99-R103 PolarHBondContact O-N 3.38Å; H99-V488 PolarHBondContact N-O 3Å; H99-F493 HydrophobicContact CB-CB 3.99Å; H99-F493 HydrophobicContact CB-CD1 3.95Å; H99-F493 HydrophobicContact CB-CG 4.06Å; H99-F493 AromaticContact CD2-CD1 3.69Å; H99-F493 AromaticContact CE1-CD1 3.79Å; H99-F493 AromaticContact CG-CD1 3.44Å; H99-F493 VanDerWaalsContact CG-CD1 3.44Å; H99-F493 AromaticContact ND1-CD1 3.5Å; H99-F493 AromaticContact ND1-CE1 3.85Å; H99-F493 AromaticContact NE2-CD1 3.9Å
100	P	94.1	Very high	91.3	Very high	73 Å²	73	54 Å²	54	47%	0.474	28%	0.279	S	S	.	.	H	α-helix	trans	-52.3	-43	-176.2	-30.3	35.4	0	0	0	114.9	V102 R103 E104	P100-V102 VanDerWaalsContact C-N 3.33Å; P100-V102 PolarHBondContact O-N 2.76Å; P100-R103 WeakPolarHBondContact O-CB 3.35Å; P100-R103 PolarHBondContact O-N 2.65Å; P100-E104 WeakPolarHBondContact O-CB 3.3Å; P100-E104 PolarHBondContact O-N 2.69Å
101	T	95.1	Very high	91.9	Very high	34 Å²	34	56.5 Å²	56.5	21%	0.209	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-35.5	177.5	-49.4	0	0	0	0	113.4	H99 L105 Y500 L503	H99-T101 VanDerWaalsContact C-N 3.33Å; H99-T101 PolarHBondContact CE1-OG1 3.09Å; H99-T101 VanDerWaalsContact CE1-OG1 3.25Å; H99-T101 PolarHBondContact ND1-N 3.29Å; H99-T101 PolarHBondContact ND1-OG1 3.34Å; H99-T101 PolarHBondContact O-N 3.21Å; T101-L105 PolarHBondContact O-N 3.11Å; T101-Y500 HydrophobicContact CG2-CD2 3.96Å; T101-Y500 HydrophobicContact CG2-CG 4.34Å; T101-L503 HydrophobicContact CG2-CD1 4.13Å
102	V	94.5	Very high	92.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-74	-42.2	177.8	-178.8	0	0	0	0	108.9	I98 H99 P100 E104 L105 L106 I444 V488 F493 L503	I98-V102 HydrophobicContact CD1-CB 4.4Å; I98-V102 HydrophobicContact CD1-CG1 4.05Å; I98-V102 HydrophobicContact CG1-CB 4.16Å; I98-V102 HydrophobicContact CG1-CG1 4.23Å; H99-V102 HydrophobicContact CB-CB 4.47Å; H99-V102 HydrophobicContact CB-CG2 4.11Å; H99-V102 PolarHBondContact O-N 2.86Å; P100-V102 VanDerWaalsContact C-N 3.33Å; P100-V102 PolarHBondContact O-N 2.76Å; V102-E104 VanDerWaalsContact C-N 3.34Å; V102-E104 PolarHBondContact O-N 2.94Å; V102-L105 PolarHBondContact O-N 2.67Å; V102-L106 HydrophobicContact CG1-CD1 4.35Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 3.29Å; V102-I444 HydrophobicContact CG1-CD1 4.08Å; V102-V488 HydrophobicContact CB-CB 4.38Å; V102-V488 HydrophobicContact CG1-CB 3.96Å; V102-V488 HydrophobicContact CG1-CG1 4.33Å; V102-V488 HydrophobicContact CG1-CG2 4.14Å; V102-V488 HydrophobicContact CG2-CB 4.01Å; V102-V488 HydrophobicContact CG2-CG1 4.27Å; V102-F493 HydrophobicContact CG2-CD1 4.18Å; V102-F493 HydrophobicContact CG2-CD2 3.78Å; V102-F493 HydrophobicContact CG2-CE1 3.92Å; V102-F493 HydrophobicContact CG2-CE2 3.5Å; V102-F493 VanDerWaalsContact CG2-CE2 3.5Å; V102-F493 HydrophobicContact CG2-CG 4.12Å; V102-F493 HydrophobicContact CG2-CZ 3.58Å; V102-L503 HydrophobicContact CG2-CD1 4Å
103	R	93.9	Very high	93.2	Very high	120 Å²	120	52.7 Å²	52.7	45%	0.453	26%	0.264	S	S	.	.	H	α-helix	trans	-54	-52.2	173.1	-166.8	-174.4	177.2	160.3	-0.7	110.6	I98 H99 P100 L105 L106 Y107	I98-R103 HydrophobicContact CD1-CB 4.31Å; I98-R103 HydrophobicContact CG1-CB 4.34Å; I98-R103 HydrophobicContact CG2-CB 4.1Å; I98-R103 HydrophobicContact CG2-CG 4.19Å; H99-R103 PolarHBondContact O-N 3.38Å; P100-R103 WeakPolarHBondContact O-CB 3.35Å; P100-R103 PolarHBondContact O-N 2.65Å; R103-L105 PolarHBondContact O-N 3.43Å; R103-L106 PolarHBondContact O-N 2.96Å; R103-L106 VanDerWaalsContact O-N 3.11Å; R103-Y107 HydrophobicContact CG-CD2 3.77Å; R103-Y107 HydrophobicContact CG-CE2 3.58Å; R103-Y107 WeakPolarHBondContact O-CD2 3.4Å; R103-Y107 PolarHBondContact O-N 2.97Å
104	E	95.3	Very high	93.8	Very high	106 Å²	106	52.5 Å²	52.5	50%	0.495	26%	0.263	S	S	.	.	H	α-helix	trans	-48	-57	177.4	-176.8	178.8	-179.7	0	0	111.4	P100 V102 L106 Y107 S108 Y500	P100-E104 WeakPolarHBondContact O-CB 3.3Å; P100-E104 PolarHBondContact O-N 2.69Å; V102-E104 VanDerWaalsContact C-N 3.34Å; V102-E104 PolarHBondContact O-N 2.94Å; E104-L106 PolarHBondContact O-N 3.09Å; E104-Y107 PolarHBondContact O-N 3.15Å; E104-Y107 VanDerWaalsContact O-N 3.15Å; E104-S108 PolarHBondContact O-N 2.98Å; E104-S108 PolarHBondContact O-OG 3.08Å; E104-Y500 HydrophobicContact CB-CE2 4.26Å; E104-Y500 HydrophobicContact CG-CD2 4.44Å; E104-Y500 HydrophobicContact CG-CE2 3.78Å
105	L	96.2	Very high	94.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-44.1	178.6	-174.9	85.5	0	0	0	112.9	T101 V102 R103 Y107 S108 I113 F430 I444 Y500 L503 V504	T101-L105 PolarHBondContact O-N 3.11Å; V102-L105 PolarHBondContact O-N 2.67Å; R103-L105 PolarHBondContact O-N 3.43Å; L105-Y107 PolarHBondContact O-N 3Å; L105-Y107 VanDerWaalsContact O-N 3.16Å; L105-S108 PolarHBondContact O-N 2.88Å; L105-I113 HydrophobicContact CD1-CD1 4.34Å; L105-I113 HydrophobicContact CD1-CG1 4.42Å; L105-F430 HydrophobicContact CD2-CE2 3.56Å; L105-F430 HydrophobicContact CD2-CZ 3.59Å; L105-I444 HydrophobicContact CD2-CD1 3.73Å; L105-Y500 HydrophobicContact CB-CE2 4.06Å; L105-Y500 HydrophobicContact CD1-CE2 4.2Å; L105-L503 HydrophobicContact CD1-CB 4.32Å; L105-L503 HydrophobicContact CD2-CB 3.81Å; L105-L503 HydrophobicContact CD2-CD1 4.47Å; L105-V504 HydrophobicContact CD1-CG2 3.74Å
106	L	94	Very high	95.3	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-21.4	-177.6	-72.6	-174.1	0	0	0	113	I98 V102 R103 E104 F176 R186 P441 I444	I98-L106 HydrophobicContact CD1-CD1 3.49Å; I98-L106 VanDerWaalsContact CD1-CD1 3.49Å; V102-L106 HydrophobicContact CG1-CD1 4.35Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 3.29Å; R103-L106 PolarHBondContact O-N 2.96Å; R103-L106 VanDerWaalsContact O-N 3.11Å; E104-L106 PolarHBondContact O-N 3.09Å; L106-F176 HydrophobicContact CD1-CE1 3.73Å; L106-F176 HydrophobicContact CD1-CZ 4.02Å; L106-R186 PolarHBondContact O-NH1 2.81Å; L106-R186 PolarHBondContact O-NH2 2.69Å; L106-R186 VanDerWaalsContact O-NH2 3.15Å; L106-P441 HydrophobicContact CD2-CB 3.83Å; L106-P441 HydrophobicContact CD2-CG 4.34Å; L106-I444 HydrophobicContact CD2-CD1 3.9Å; L106-I444 HydrophobicContact CD2-CG1 4.32Å
107	Y	93.5	Very high	95.8	Very high	108 Å²	108	50.5 Å²	50.5	42%	0.424	24%	0.24	S	C	.	.	H	α-helix	trans	-112.1	-0.7	179.3	-62.7	-77.3	0	0	0	113.6	R103 E104 L105 E182	R103-Y107 HydrophobicContact CG-CD2 3.77Å; R103-Y107 HydrophobicContact CG-CE2 3.58Å; R103-Y107 WeakPolarHBondContact O-CD2 3.4Å; R103-Y107 PolarHBondContact O-N 2.97Å; E104-Y107 PolarHBondContact O-N 3.15Å; E104-Y107 VanDerWaalsContact O-N 3.15Å; L105-Y107 PolarHBondContact O-N 3Å; L105-Y107 VanDerWaalsContact O-N 3.16Å; Y107-E182 WeakPolarHBondContact CE1-OE1 3.49Å; Y107-E182 VanDerWaalsContact OH-CD 3.23Å; Y107-E182 PolarHBondContact OH-OE1 3.47Å; Y107-E182 PolarHBondContact OH-OE2 3.18Å
108	S	95.7	Very high	96.2	Very high	23 Å²	23	42.8 Å²	42.8	16%	0.161	21%	0.214	C	C	.	.			trans	-68.7	147.1	173.9	-58.4	0	0	0	0	112	E104 L105 Y500	E104-S108 PolarHBondContact O-N 2.98Å; E104-S108 PolarHBondContact O-OG 3.08Å; L105-S108 PolarHBondContact O-N 2.88Å; S108-Y500 PolarHBondContact OG-OH 3.19Å
109	S	96.7	Very high	96.4	Very high	42 Å²	42	47.6 Å²	47.6	29%	0.294	24%	0.244	S	C	.	.			trans	-74.8	163.2	171.3	68.4	0	0	0	0	111.7	E111 D112 I113	S109-E111 PolarHBondContact O-N 2.85Å; S109-D112 PolarHBondContact N-OD2 2.85Å; S109-D112 PolarHBondContact O-N 2.8Å; S109-D112 PolarHBondContact OG-N 3.4Å; S109-D112 PolarHBondContact OG-OD2 3.24Å; S109-I113 VanDerWaalsContact O-CG1 3.32Å; S109-I113 WeakPolarHBondContact O-CG1 3.48Å; S109-I113 PolarHBondContact O-N 3.01Å
110	N	97.9	Very high	96.5	Very high	15 Å²	15	47.2 Å²	47.2	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-34.2	171.9	-76.7	-25.5	0	0	0	111.1	A114 L130 M133 N134 W439 Y507	N110-A114 WeakPolarHBondContact O-CB 3.1Å; N110-A114 PolarHBondContact O-N 3.02Å; N110-L130 HydrophobicContact CB-CD2 4.4Å; N110-L130 WeakPolarHBondContact O-CD2 3.46Å; N110-M133 HydrophobicContact CB-CB 4.09Å; N110-M133 HydrophobicContact CB-CE 3.86Å; N110-M133 PolarHBondContact ND2-O 3.35Å; N110-M133 WeakPolarHBondContact O-CE 3.22Å; N110-N134 VanDerWaalsContact CB-OD1 3.29Å; N110-N134 WeakPolarHBondContact CB-OD1 3.35Å; N110-N134 PolarHBondContact ND2-OD1 3.39Å; N110-W439 PolarHBondContact ND2-O 2.71Å; N110-W439 PolarHBondContact OD1-O 2.64Å; N110-Y507 WeakPolarHBondContact OD1-CE1 3.4Å; N110-Y507 PolarHBondContact OD1-OH 3.35Å
111	E	98	Very high	96.6	Very high	84 Å²	84	45.8 Å²	45.8	39%	0.393	23%	0.229	S	C	.	.	H	α-helix	trans	-59.9	-49.8	174.8	-69.4	67.6	-152.2	0	0	111.7	S109 A114 N115 L130 N134	S109-E111 PolarHBondContact O-N 2.85Å; E111-A114 PolarHBondContact O-N 2.85Å; E111-N115 WeakPolarHBondContact O-CB 3.45Å; E111-N115 VanDerWaalsContact O-CG 3.23Å; E111-N115 PolarHBondContact O-N 3.5Å; E111-N115 PolarHBondContact O-ND2 3.46Å; E111-L130 HydrophobicContact CG-CD2 4.32Å; E111-N134 PolarHBondContact OE1-ND2 3.01Å
112	D	97.8	Very high	96.6	Very high	91 Å²	91	49.4 Å²	49.4	49%	0.487	25%	0.253	S	S	.	.	H	α-helix	trans	-64	-46	178.9	-60.9	-40.6	0	0	0	111.1	S109 A114 N115 H116	S109-D112 PolarHBondContact N-OD2 2.85Å; S109-D112 PolarHBondContact O-N 2.8Å; S109-D112 PolarHBondContact OG-N 3.4Å; S109-D112 PolarHBondContact OG-OD2 3.24Å; D112-A114 PolarHBondContact O-N 3.12Å; D112-N115 PolarHBondContact O-N 2.93Å; D112-H116 WeakPolarHBondContact O-CB 3.12Å; D112-H116 PolarHBondContact O-N 3.19Å
113	I	98.3	Very high	96.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-41.7	-179.1	-61.5	167.1	0	0	0	111	L105 S109 H116 Y117 M133 V504 Y507 V508	L105-I113 HydrophobicContact CD1-CD1 4.34Å; L105-I113 HydrophobicContact CD1-CG1 4.42Å; S109-I113 VanDerWaalsContact O-CG1 3.32Å; S109-I113 WeakPolarHBondContact O-CG1 3.48Å; S109-I113 PolarHBondContact O-N 3.01Å; I113-H116 PolarHBondContact O-N 3.28Å; I113-Y117 VanDerWaalsContact O-CB 3.31Å; I113-Y117 WeakPolarHBondContact O-CB 3.27Å; I113-Y117 PolarHBondContact O-N 3.26Å; I113-M133 HydrophobicContact CB-CE 3.99Å; I113-M133 HydrophobicContact CG2-CE 4.08Å; I113-V504 HydrophobicContact CG2-CB 4.37Å; I113-V504 HydrophobicContact CG2-CG1 3.78Å; I113-V504 HydrophobicContact CG2-CG2 4.2Å; I113-Y507 HydrophobicContact CB-CD1 4.37Å; I113-Y507 HydrophobicContact CD1-CD1 3.68Å; I113-Y507 HydrophobicContact CD1-CE1 3.68Å; I113-Y507 HydrophobicContact CD1-CG 4.38Å; I113-Y507 HydrophobicContact CG2-CD1 3.69Å; I113-Y507 HydrophobicContact CG2-CE1 4.33Å; I113-V508 HydrophobicContact CG2-CG2 4.42Å
114	A	98.5	Very high	96.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-40.9	177.4	0	0	0	0	0	111.9	N110 E111 D112 Y117 C118 R126 L129 L130 M133	N110-A114 WeakPolarHBondContact O-CB 3.1Å; N110-A114 PolarHBondContact O-N 3.02Å; E111-A114 PolarHBondContact O-N 2.85Å; D112-A114 PolarHBondContact O-N 3.12Å; A114-Y117 PolarHBondContact O-N 3.13Å; A114-C118 WeakPolarHBondContact O-CB 3.44Å; A114-C118 PolarHBondContact O-N 3.47Å; A114-C118 PolarHBondContact O-SG 2.72Å; A114-R126 HydrophobicContact CB-CG 4.35Å; A114-L129 HydrophobicContact CB-CD2 4.04Å; A114-L129 HydrophobicContact CB-CG 4.29Å; A114-L130 HydrophobicContact CB-CD1 4.47Å; A114-L130 HydrophobicContact CB-CD2 3.54Å; A114-L130 HydrophobicContact CB-CG 3.72Å; A114-M133 HydrophobicContact CB-CE 4.35Å; A114-M133 HydrophobicContact CB-SD 3.89Å
115	N	98.2	Very high	97	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-46.3	174.7	-78.6	-36.8	0	0	0	111.4	E111 D112 T119 R126	E111-N115 WeakPolarHBondContact O-CB 3.45Å; E111-N115 VanDerWaalsContact O-CG 3.23Å; E111-N115 PolarHBondContact O-N 3.5Å; E111-N115 PolarHBondContact O-ND2 3.46Å; D112-N115 PolarHBondContact O-N 2.93Å; N115-T119 PolarHBondContact O-N 2.8Å; N115-T119 VanDerWaalsContact O-N 3.11Å; N115-T119 PolarHBondContact O-OG1 3Å; N115-R126 WeakPolarHBondContact OD1-CD 3.47Å; N115-R126 PolarHBondContact OD1-NH1 3.3Å
116	H	98.3	Very high	97.1	Very high	53 Å²	53	54.2 Å²	54.2	25%	0.245	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-49.1	176.4	-168.6	82.8	0	0	0	111.4	D112 I113 C118 T119 I120 Y500 D501	D112-H116 WeakPolarHBondContact O-CB 3.12Å; D112-H116 PolarHBondContact O-N 3.19Å; I113-H116 PolarHBondContact O-N 3.28Å; H116-C118 PolarHBondContact O-N 3Å; H116-T119 VanDerWaalsContact O-CB 3.31Å; H116-T119 WeakPolarHBondContact O-CB 3.46Å; H116-T119 PolarHBondContact O-N 3.38Å; H116-I120 PolarHBondContact O-N 2.89Å; H116-I120 VanDerWaalsContact O-N 3.15Å; H116-Y500 HydrophobicContact CB-CE1 4.49Å; H116-Y500 AromaticContact CD2-CD1 4Å; H116-Y500 AromaticContact CD2-CE1 3.92Å; H116-Y500 AromaticContact CE1-CD1 3.69Å; H116-Y500 AromaticContact CE1-CE1 3.89Å; H116-Y500 AromaticContact CG-CE1 3.81Å; H116-Y500 AromaticContact ND1-CE1 3.82Å; H116-Y500 AromaticContact NE2-CD1 3.61Å; H116-Y500 AromaticContact NE2-CE1 3.95Å; H116-D501 IonicContact CD2-OD1 3.66Å; H116-D501 IonicContact CE1-OD1 2.68Å; H116-D501 PolarHBondContact CE1-OD1 3.32Å; H116-D501 IonicContact NE2-OD1 3.36Å; H116-D501 PolarHBondContact NE2-OD1 2.82Å
117	Y	98.5	Very high	97.3	Very high	8 Å²	8	64.1 Å²	64.1	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-57.9	-46.7	179.7	-177.7	-97.3	0	0	0	112.2	I113 A114 T119 I120 R121 A124 L129 L327 V504 E505 V508	I113-Y117 VanDerWaalsContact O-CB 3.31Å; I113-Y117 WeakPolarHBondContact O-CB 3.27Å; I113-Y117 PolarHBondContact O-N 3.26Å; A114-Y117 PolarHBondContact O-N 3.13Å; Y117-T119 PolarHBondContact O-N 2.88Å; Y117-I120 CarbonylContact O-C 3.53Å; Y117-I120 WeakPolarHBondContact O-CG1 3.1Å; Y117-I120 PolarHBondContact O-N 3.3Å; Y117-R121 HydrophobicContact CD1-CB 4.4Å; Y117-R121 HydrophobicContact CD2-CG 4.44Å; Y117-R121 HydrophobicContact CE1-CB 4.06Å; Y117-R121 HydrophobicContact CE1-CG 4.23Å; Y117-R121 HydrophobicContact CE2-CG 3.95Å; Y117-R121 WeakPolarHBondContact O-CB 3.5Å; Y117-R121 PolarHBondContact O-N 2.95Å; Y117-A124 HydrophobicContact CD1-CB 4.17Å; Y117-A124 HydrophobicContact CE1-CB 3.69Å; Y117-L129 HydrophobicContact CD1-CD2 3.42Å; Y117-L129 VanDerWaalsContact CD1-CD2 3.42Å; Y117-L129 HydrophobicContact CE1-CD2 4.09Å; Y117-L129 HydrophobicContact CG-CD2 4.08Å; Y117-L327 HydrophobicContact CE1-CD2 4.37Å; Y117-V504 HydrophobicContact CD2-CG1 4.16Å; Y117-V504 HydrophobicContact CG-CG1 4.48Å; Y117-E505 HydrophobicContact CE2-CG 4.24Å; Y117-V508 HydrophobicContact CD1-CG1 4.45Å; Y117-V508 HydrophobicContact CD1-CG2 4.44Å; Y117-V508 HydrophobicContact CD2-CB 4.07Å; Y117-V508 HydrophobicContact CD2-CG1 4.22Å; Y117-V508 HydrophobicContact CD2-CG2 3.74Å; Y117-V508 HydrophobicContact CE1-CG1 4.12Å; Y117-V508 HydrophobicContact CE2-CB 4.07Å; Y117-V508 HydrophobicContact CE2-CG1 3.89Å; Y117-V508 HydrophobicContact CE2-CG2 4.24Å; Y117-V508 HydrophobicContact CG-CG1 4.48Å; Y117-V508 HydrophobicContact CG-CG2 3.84Å
118	C	98.1	Very high	97.5	Very high	20 Å²	20	60.9 Å²	60.9	14%	0.135	30%	0.304	C	S	.	.	H	α-helix	trans	-69.3	-22	178.4	-70.9	0	0	0	0	112.9	A114 H116 R121 P122 A124 R126	A114-C118 WeakPolarHBondContact O-CB 3.44Å; A114-C118 PolarHBondContact O-N 3.47Å; A114-C118 PolarHBondContact O-SG 2.72Å; H116-C118 PolarHBondContact O-N 3Å; C118-R121 CarbonylContact O-C 3.56Å; C118-R121 VanDerWaalsContact O-C 3.24Å; C118-P122 VanDerWaalsContact O-CA 3.26Å; C118-P122 WeakPolarHBondContact O-CA 3.35Å; C118-A124 PolarHBondContact SG-O 3.16Å; C118-A124 VanDerWaalsContact SG-O 3.32Å; C118-R126 HydrophobicContact CB-CB 4.3Å; C118-R126 VanDerWaalsContact SG-CA 3.52Å; C118-R126 VanDerWaalsContact SG-CB 3.57Å
119	T	97.6	Very high	97.7	Very high	113 Å²	113	59.8 Å²	59.8	69%	0.693	30%	0.296	S	S	*	.	H	α-helix	trans	-69	-45	170.8	-58	0	0	0	0	110.9	N115 H116 Y117	N115-T119 PolarHBondContact O-N 2.8Å; N115-T119 VanDerWaalsContact O-N 3.11Å; N115-T119 PolarHBondContact O-OG1 3Å; H116-T119 VanDerWaalsContact O-CB 3.31Å; H116-T119 WeakPolarHBondContact O-CB 3.46Å; H116-T119 PolarHBondContact O-N 3.38Å; Y117-T119 PolarHBondContact O-N 2.88Å
120	I	96	Very high	97.8	Very high	37 Å²	37	59.4 Å²	59.4	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-80.7	-15.5	178.1	61.6	166.9	0	0	0	113.3	H116 Y117 D501	H116-I120 PolarHBondContact O-N 2.89Å; H116-I120 VanDerWaalsContact O-N 3.15Å; Y117-I120 CarbonylContact O-C 3.53Å; Y117-I120 WeakPolarHBondContact O-CG1 3.1Å; Y117-I120 PolarHBondContact O-N 3.3Å; I120-D501 HydrophobicContact CD1-CB 4.19Å
121	R	95.7	Very high	97.8	Very high	43 Å²	43	64.8 Å²	64.8	16%	0.162	31%	0.31	C	S	.	.			trans	-134.7	73.8	178.5	-60.8	-62.6	176.8	-99.4	-4.3	109.6	Y117 C118 Q123 A124 E505	Y117-R121 HydrophobicContact CD1-CB 4.4Å; Y117-R121 HydrophobicContact CD2-CG 4.44Å; Y117-R121 HydrophobicContact CE1-CB 4.06Å; Y117-R121 HydrophobicContact CE1-CG 4.23Å; Y117-R121 HydrophobicContact CE2-CG 3.95Å; Y117-R121 WeakPolarHBondContact O-CB 3.5Å; Y117-R121 PolarHBondContact O-N 2.95Å; C118-R121 CarbonylContact O-C 3.56Å; C118-R121 VanDerWaalsContact O-C 3.24Å; R121-Q123 PolarHBondContact O-N 3.46Å; R121-A124 HydrophobicContact CB-CB 4.32Å; R121-A124 WeakPolarHBondContact O-CB 3.31Å; R121-A124 PolarHBondContact O-N 3.19Å; R121-E505 IonicContact CZ-OE2 2.75Å; R121-E505 IonicContact NE-OE2 3.61Å; R121-E505 IonicContact NH2-OE2 3.88Å; R121-E505 PolarHBondContact NH2-OE2 2.85Å
122	P	96	Very high	97.8	Very high	110 Å²	110	61 Å²	61	71%	0.714	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.7	-174.1	25.2	-35.5	0	0	0	114.5	C118 A124	C118-P122 VanDerWaalsContact O-CA 3.26Å; C118-P122 WeakPolarHBondContact O-CA 3.35Å; P122-A124 VanDerWaalsContact C-N 3.31Å
123	Q	95.8	Very high	97.8	Very high	108 Å²	108	56.6 Å²	56.6	51%	0.505	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.5	174.4	78	-72.5	-3.6	0	0	114	R121 G326	R121-Q123 PolarHBondContact O-N 3.46Å; Q123-G326 WeakPolarHBondContact O-CA 3.21Å
124	A	97.9	Very high	97.8	Very high	8 Å²	8	59.3 Å²	59.3	7%	0.066	28%	0.284	C	S	.	.	S	Bend	trans	-83	127.5	-179.4	0	0	0	0	0	110.9	Y117 C118 R121 P122 R126 A325 L327	Y117-A124 HydrophobicContact CD1-CB 4.17Å; Y117-A124 HydrophobicContact CE1-CB 3.69Å; C118-A124 PolarHBondContact SG-O 3.16Å; C118-A124 VanDerWaalsContact SG-O 3.32Å; R121-A124 HydrophobicContact CB-CB 4.32Å; R121-A124 WeakPolarHBondContact O-CB 3.31Å; R121-A124 PolarHBondContact O-N 3.19Å; P122-A124 VanDerWaalsContact C-N 3.31Å; A124-R126 PolarHBondContact O-N 2.9Å; A124-A325 WeakPolarHBondContact CA-O 3.42Å; A124-L327 HydrophobicContact CB-CD2 3.89Å
125	D	98.3	Very high	97.6	Very high	76 Å²	76	61.2 Å²	61.2	41%	0.406	30%	0.299	S	S	.	.			trans	-70.2	111.6	173.6	-174.4	-37.7	0	0	0	110	R127 E128 L129 A325	D125-R127 VanDerWaalsContact C-N 3.34Å; D125-R127 PolarHBondContact O-N 3.44Å; D125-R127 WeakPolarHBondContact OD1-CA 3.44Å; D125-R127 VanDerWaalsContact OD1-CB 3.29Å; D125-R127 WeakPolarHBondContact OD1-CB 3.46Å; D125-R127 PolarHBondContact OD1-N 3.07Å; D125-E128 HydrophobicContact CB-CB 4.07Å; D125-E128 PolarHBondContact O-N 3.48Å; D125-E128 PolarHBondContact OD1-N 3.34Å; D125-L129 WeakPolarHBondContact O-CB 3.48Å; D125-L129 PolarHBondContact O-N 3.13Å; D125-A325 HydrophobicContact CB-CB 4.05Å; D125-A325 PolarHBondContact N-O 2.97Å
126	R	98.3	Very high	97	Very high	134 Å²	134	60.8 Å²	60.8	51%	0.506	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-39.1	179.3	-172.9	-178.7	61.7	-162.4	-4.7	112.9	A114 N115 C118 A124 E128 L129 L130	A114-R126 HydrophobicContact CB-CG 4.35Å; N115-R126 WeakPolarHBondContact OD1-CD 3.47Å; N115-R126 PolarHBondContact OD1-NH1 3.3Å; C118-R126 HydrophobicContact CB-CB 4.3Å; C118-R126 VanDerWaalsContact SG-CA 3.52Å; C118-R126 VanDerWaalsContact SG-CB 3.57Å; A124-R126 PolarHBondContact O-N 2.9Å; R126-E128 VanDerWaalsContact C-N 3.35Å; R126-L129 PolarHBondContact O-N 3.43Å; R126-L130 HydrophobicContact CG-CD1 4.07Å; R126-L130 HydrophobicContact CG-CG 4.46Å; R126-L130 WeakPolarHBondContact O-CB 3.44Å; R126-L130 WeakPolarHBondContact O-CG 3.43Å; R126-L130 PolarHBondContact O-N 2.92Å
127	R	98.1	Very high	96.7	Very high	211 Å²	211	58.4 Å²	58.4	80%	0.796	29%	0.291	S	S	*	.	H	α-helix	trans	-65.7	-44.3	-178.4	179.4	-176.4	175.9	-178.9	-1.1	109.7	D125 L130 R131	D125-R127 VanDerWaalsContact C-N 3.34Å; D125-R127 PolarHBondContact O-N 3.44Å; D125-R127 WeakPolarHBondContact OD1-CA 3.44Å; D125-R127 VanDerWaalsContact OD1-CB 3.29Å; D125-R127 WeakPolarHBondContact OD1-CB 3.46Å; D125-R127 PolarHBondContact OD1-N 3.07Å; R127-L130 PolarHBondContact O-N 2.79Å; R127-R131 WeakPolarHBondContact O-CB 3.39Å; R127-R131 PolarHBondContact O-N 3.06Å
128	E	98.4	Very high	96.4	Very high	40 Å²	40	63 Å²	63	19%	0.187	31%	0.311	C	S	.	.	H	α-helix	trans	-68.2	-41.4	178.2	-177.7	58.9	-174.1	0	0	111.8	D125 R126 L130 R131 I132 H322 A325 L327	D125-E128 HydrophobicContact CB-CB 4.07Å; D125-E128 PolarHBondContact O-N 3.48Å; D125-E128 PolarHBondContact OD1-N 3.34Å; R126-E128 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 3.3Å; E128-R131 WeakPolarHBondContact O-CB 3.23Å; E128-R131 PolarHBondContact O-N 2.81Å; E128-R131 IonicContact OE1-CZ 2.76Å; E128-R131 IonicContact OE1-NE 2.65Å; E128-R131 PolarHBondContact OE1-NE 3.34Å; E128-R131 IonicContact OE1-NH2 3.41Å; E128-R131 PolarHBondContact OE1-NH2 3.28Å; E128-R131 IonicContact OE2-CZ 3.13Å; E128-R131 IonicContact OE2-NE 3.05Å; E128-R131 PolarHBondContact OE2-NE 3.18Å; E128-R131 IonicContact OE2-NH2 3.7Å; E128-I132 HydrophobicContact CG-CD1 4.14Å; E128-I132 WeakPolarHBondContact O-CD1 3.33Å; E128-I132 WeakPolarHBondContact O-CG1 3.35Å; E128-I132 PolarHBondContact O-N 3.07Å; E128-H322 IonicContact OE1-CE1 2.69Å; E128-H322 PolarHBondContact OE1-CE1 3.3Å; E128-H322 IonicContact OE1-ND1 3.9Å; E128-H322 PolarHBondContact OE1-ND1 3.27Å; E128-A325 HydrophobicContact CB-CB 3.99Å; E128-A325 HydrophobicContact CG-CB 3.74Å; E128-L327 HydrophobicContact CB-CD1 4.43Å; E128-L327 HydrophobicContact CG-CD1 3.98Å
129	L	98.6	Very high	96.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-48.2	174.4	177.3	57.5	0	0	0	111.7	A114 Y117 D125 R126 R131 I132 M133 L327 V508 L512	A114-L129 HydrophobicContact CB-CD2 4.04Å; A114-L129 HydrophobicContact CB-CG 4.29Å; Y117-L129 HydrophobicContact CD1-CD2 3.42Å; Y117-L129 VanDerWaalsContact CD1-CD2 3.42Å; Y117-L129 HydrophobicContact CE1-CD2 4.09Å; Y117-L129 HydrophobicContact CG-CD2 4.08Å; D125-L129 WeakPolarHBondContact O-CB 3.48Å; D125-L129 PolarHBondContact O-N 3.13Å; R126-L129 PolarHBondContact O-N 3.43Å; L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.28Å; L129-I132 PolarHBondContact O-N 2.9Å; L129-I132 VanDerWaalsContact O-N 3.16Å; L129-M133 HydrophobicContact CD1-CG 4.03Å; L129-M133 HydrophobicContact CD1-SD 3.68Å; L129-M133 HydrophobicContact CD2-SD 4.2Å; L129-M133 HydrophobicContact CG-CG 4.39Å; L129-M133 HydrophobicContact CG-SD 3.53Å; L129-M133 VanDerWaalsContact CG-SD 3.53Å; L129-M133 VanDerWaalsContact O-CG 3.29Å; L129-M133 WeakPolarHBondContact O-CG 3.24Å; L129-M133 PolarHBondContact O-N 2.95Å; L129-L327 HydrophobicContact CB-CD1 4.31Å; L129-L327 HydrophobicContact CB-CD2 4.28Å; L129-L327 HydrophobicContact CD1-CD2 4.36Å; L129-V508 HydrophobicContact CD1-CG1 3.87Å; L129-V508 HydrophobicContact CD1-CG2 4.42Å; L129-V508 HydrophobicContact CD2-CG2 4.46Å; L129-L512 HydrophobicContact CD1-CD2 4.37Å
130	L	98.4	Very high	96.1	Very high	34 Å²	34	57.4 Å²	57.4	18%	0.178	27%	0.274	C	S	.	.	H	α-helix	trans	-62.3	-38.7	176.6	-78.6	171.7	0	0	0	112.4	N110 E111 A114 R126 R127 E128 I132 M133 N134	N110-L130 HydrophobicContact CB-CD2 4.4Å; N110-L130 WeakPolarHBondContact O-CD2 3.46Å; E111-L130 HydrophobicContact CG-CD2 4.32Å; A114-L130 HydrophobicContact CB-CD1 4.47Å; A114-L130 HydrophobicContact CB-CD2 3.54Å; A114-L130 HydrophobicContact CB-CG 3.72Å; R126-L130 HydrophobicContact CG-CD1 4.07Å; R126-L130 HydrophobicContact CG-CG 4.46Å; R126-L130 WeakPolarHBondContact O-CB 3.44Å; R126-L130 WeakPolarHBondContact O-CG 3.43Å; R126-L130 PolarHBondContact O-N 2.92Å; R127-L130 PolarHBondContact O-N 2.79Å; E128-L130 PolarHBondContact O-N 3.3Å; L130-I132 VanDerWaalsContact C-N 3.27Å; L130-I132 PolarHBondContact O-N 3.47Å; L130-M133 PolarHBondContact O-N 3.14Å; L130-N134 VanDerWaalsContact O-CB 3.25Å; L130-N134 WeakPolarHBondContact O-CB 3.45Å; L130-N134 PolarHBondContact O-N 3.44Å
131	R	98.1	Very high	96.1	Very high	128 Å²	128	56.3 Å²	56.3	48%	0.483	27%	0.267	S	S	.	.	H	α-helix	trans	-58.1	-42.1	174.8	-169.5	-166.1	67.4	73.4	0.8	111.2	R127 E128 L129 A135	R127-R131 WeakPolarHBondContact O-CB 3.39Å; R127-R131 PolarHBondContact O-N 3.06Å; E128-R131 WeakPolarHBondContact O-CB 3.23Å; E128-R131 PolarHBondContact O-N 2.81Å; E128-R131 IonicContact OE1-CZ 2.76Å; E128-R131 IonicContact OE1-NE 2.65Å; E128-R131 PolarHBondContact OE1-NE 3.34Å; E128-R131 IonicContact OE1-NH2 3.41Å; E128-R131 PolarHBondContact OE1-NH2 3.28Å; E128-R131 IonicContact OE2-CZ 3.13Å; E128-R131 IonicContact OE2-NE 3.05Å; E128-R131 PolarHBondContact OE2-NE 3.18Å; E128-R131 IonicContact OE2-NH2 3.7Å; L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.28Å; R131-A135 WeakPolarHBondContact O-CB 3.47Å; R131-A135 PolarHBondContact O-N 3.27Å
132	I	98.2	Very high	96.1	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-71.6	-43.7	178.6	-63.6	157.8	0	0	0	111	E128 L129 L130 N134 A135 F318 L327 V511 L512 S515	E128-I132 HydrophobicContact CG-CD1 4.14Å; E128-I132 WeakPolarHBondContact O-CD1 3.33Å; E128-I132 WeakPolarHBondContact O-CG1 3.35Å; E128-I132 PolarHBondContact O-N 3.07Å; L129-I132 PolarHBondContact O-N 2.9Å; L129-I132 VanDerWaalsContact O-N 3.16Å; L130-I132 VanDerWaalsContact C-N 3.27Å; L130-I132 PolarHBondContact O-N 3.47Å; I132-N134 PolarHBondContact O-N 2.95Å; I132-A135 PolarHBondContact O-N 2.69Å; I132-F318 HydrophobicContact CD1-CZ 4.01Å; I132-L327 HydrophobicContact CD1-CD1 3.65Å; I132-V511 HydrophobicContact CG2-CG1 4.05Å; I132-L512 HydrophobicContact CD1-CD2 4.11Å; I132-L512 HydrophobicContact CG2-CD2 4.21Å; I132-S515 WeakPolarHBondContact CG2-OG 3.2Å
133	M	98.2	Very high	96.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-38.4	179.8	-68.8	165.6	80.6	0	0	112.6	N110 I113 A114 L129 L130 G438 W439 Y507 V511	N110-M133 HydrophobicContact CB-CB 4.09Å; N110-M133 HydrophobicContact CB-CE 3.86Å; N110-M133 PolarHBondContact ND2-O 3.35Å; N110-M133 WeakPolarHBondContact O-CE 3.22Å; I113-M133 HydrophobicContact CB-CE 3.99Å; I113-M133 HydrophobicContact CG2-CE 4.08Å; A114-M133 HydrophobicContact CB-CE 4.35Å; A114-M133 HydrophobicContact CB-SD 3.89Å; L129-M133 HydrophobicContact CD1-CG 4.03Å; L129-M133 HydrophobicContact CD1-SD 3.68Å; L129-M133 HydrophobicContact CD2-SD 4.2Å; L129-M133 HydrophobicContact CG-CG 4.39Å; L129-M133 HydrophobicContact CG-SD 3.53Å; L129-M133 VanDerWaalsContact CG-SD 3.53Å; L129-M133 VanDerWaalsContact O-CG 3.29Å; L129-M133 WeakPolarHBondContact O-CG 3.24Å; L129-M133 PolarHBondContact O-N 2.95Å; L130-M133 PolarHBondContact O-N 3.14Å; M133-G438 CarbonylContact O-C 3.58Å; M133-G438 WeakPolarHBondContact O-CA 3.32Å; M133-W439 PolarHBondContact O-N 3.08Å; M133-Y507 HydrophobicContact CE-CD1 3.96Å; M133-Y507 HydrophobicContact CE-CE1 3.42Å; M133-Y507 VanDerWaalsContact CE-CE1 3.42Å; M133-V511 HydrophobicContact CG-CG1 3.98Å
134	N	97.7	Very high	96.2	Very high	57 Å²	57	44 Å²	44	31%	0.305	20%	0.202	S	C	.	.	H	α-helix	trans	-86.9	-6.3	-178.7	-67.6	-14.4	0	0	0	113	N110 E111 L130 I132 S136 G438	N110-N134 VanDerWaalsContact CB-OD1 3.29Å; N110-N134 WeakPolarHBondContact CB-OD1 3.35Å; N110-N134 PolarHBondContact ND2-OD1 3.39Å; E111-N134 PolarHBondContact OE1-ND2 3.01Å; L130-N134 VanDerWaalsContact O-CB 3.25Å; L130-N134 WeakPolarHBondContact O-CB 3.45Å; L130-N134 PolarHBondContact O-N 3.44Å; I132-N134 PolarHBondContact O-N 2.95Å; N134-S136 PolarHBondContact O-N 3.22Å; N134-G438 WeakPolarHBondContact O-CA 3.37Å
135	A	94.5	Very high	96.2	Very high	40 Å²	40	43.6 Å²	43.6	33%	0.331	20%	0.199	S	C	.	.	S	Bend	trans	-71.5	128.4	174	0	0	0	0	0	110.8	R131 I132	R131-A135 WeakPolarHBondContact O-CB 3.47Å; R131-A135 PolarHBondContact O-N 3.27Å; I132-A135 PolarHBondContact O-N 2.69Å
136	S	86.8	Confident	96.2	Very high	52 Å²	52	40.3 Å²	40.3	36%	0.364	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-74.4	131.4	171.1	-157.8	0	0	0	0	110.4	N134 R141 G435	N134-S136 PolarHBondContact O-N 3.22Å; S136-R141 PolarHBondContact OG-NH2 2.98Å; S136-G435 VanDerWaalsContact CB-O 3.27Å; S136-G435 WeakPolarHBondContact CB-O 3.43Å; S136-G435 PolarHBondContact OG-O 3.43Å
137	S	92.1	Very high	96.2	Very high	4 Å²	4	34 Å²	34	3%	0.028	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-70.3	133.3	171.5	-178.2	0	0	0	0	110.8	Y140 R141 A434 D518	S137-Y140 WeakPolarHBondContact CB-O 3.43Å; S137-Y140 WeakPolarHBondContact OG-CA 3.41Å; S137-Y140 PolarHBondContact OG-N 2.98Å; S137-Y140 PolarHBondContact OG-O 3.17Å; S137-R141 WeakPolarHBondContact O-CD 3.44Å; S137-R141 WeakPolarHBondContact O-CG 3.49Å; S137-R141 PolarHBondContact O-NE 3.14Å; S137-R141 VanDerWaalsContact O-NE 3.12Å; S137-A434 VanDerWaalsContact CB-CB 3.47Å; S137-D518 PolarHBondContact OG-OD1 2.94Å
138	K	91.6	Very high	96.2	Very high	104 Å²	104	24.6 Å²	24.6	45%	0.452	12%	0.123	S	C	.	.	S	Bend	trans	-81.4	-43.2	-178.5	-173.7	176.3	-177	179.1	0	111.8	D518 Q522 S526	K138-D518 PolarHBondContact N-OD1 3.08Å; K138-D518 PolarHBondContact N-OD2 3.27Å; K138-Q522 HydrophobicContact CB-CG 4.28Å; K138-Q522 HydrophobicContact CD-CG 4.19Å; K138-S526 PolarHBondContact NZ-O 3.29Å
139	W	94	Very high	96.1	Very high	15 Å²	15	24.6 Å²	24.6	6%	0.057	12%	0.121	C	C	.	.	S	Bend	trans	-116.9	-41.9	-171.5	-60.1	115.7	0	0	0	112.3	R141 P297 I299 D518 C521 M525 R528	W139-R141 PolarHBondContact O-N 3.49Å; W139-P297 HydrophobicContact CE3-CG 3.94Å; W139-P297 WeakPolarHBondContact O-CD 3.35Å; W139-I299 HydrophobicContact CB-CG2 4.28Å; W139-I299 HydrophobicContact CD2-CG2 4.39Å; W139-I299 HydrophobicContact CE3-CG2 4.43Å; W139-I299 HydrophobicContact CG-CG2 4.36Å; W139-D518 WeakPolarHBondContact CA-OD1 3.44Å; W139-D518 WeakPolarHBondContact CB-OD1 3.23Å; W139-D518 PolarHBondContact N-OD1 2.94Å; W139-C521 HydrophobicContact CB-CB 3.7Å; W139-C521 VanDerWaalsContact CD1-CB 3.41Å; W139-C521 HydrophobicContact CG-CB 3.8Å; W139-M525 HydrophobicContact CD2-CE 3.71Å; W139-M525 HydrophobicContact CE3-CE 3.41Å; W139-M525 VanDerWaalsContact CE3-CE 3.41Å; W139-M525 HydrophobicContact CH2-CE 3.21Å; W139-M525 HydrophobicContact CZ2-CE 3.48Å; W139-M525 VanDerWaalsContact CZ2-CE 3.48Å; W139-M525 HydrophobicContact CZ2-CG 4.24Å; W139-M525 HydrophobicContact CZ3-CE 3.16Å; W139-M525 PolarHBondContact NE1-O 2.86Å; W139-R528 HydrophobicContact CH2-CB 4.48Å; W139-R528 HydrophobicContact CH2-CG 3.67Å; W139-R528 HydrophobicContact CZ3-CG 3.74Å
140	Y	95.8	Very high	96.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.			trans	-102	73.6	-173.1	-173.4	-157	0	0	0	111.3	S137 W142 A143 M164 N165 A300 W439 A514 I517 D518	S137-Y140 WeakPolarHBondContact CB-O 3.43Å; S137-Y140 WeakPolarHBondContact OG-CA 3.41Å; S137-Y140 PolarHBondContact OG-N 2.98Å; S137-Y140 PolarHBondContact OG-O 3.17Å; Y140-W142 VanDerWaalsContact CE2-O 3.25Å; Y140-W142 WeakPolarHBondContact CE2-O 3.19Å; Y140-A143 HydrophobicContact CD1-CB 4.5Å; Y140-A143 HydrophobicContact CD2-CB 4.39Å; Y140-A143 HydrophobicContact CE1-CB 3.84Å; Y140-A143 HydrophobicContact CE2-CB 3.64Å; Y140-A143 WeakPolarHBondContact OH-CB 3.43Å; Y140-M164 HydrophobicContact CE1-CE 4.26Å; Y140-N165 PolarHBondContact OH-N 3.5Å; Y140-N165 PolarHBondContact OH-O 2.77Å; Y140-A300 HydrophobicContact CD2-CB 4.11Å; Y140-A300 HydrophobicContact CG-CB 4.32Å; Y140-W439 WeakPolarHBondContact O-CH2 3.3Å; Y140-A514 HydrophobicContact CD1-CB 4.36Å; Y140-A514 HydrophobicContact CE1-CB 4.25Å; Y140-I517 HydrophobicContact CD1-CB 3.74Å; Y140-I517 HydrophobicContact CD1-CD1 4.49Å; Y140-I517 HydrophobicContact CD1-CG2 3.43Å; Y140-I517 VanDerWaalsContact CD1-CG2 3.43Å; Y140-I517 HydrophobicContact CE1-CB 3.96Å; Y140-I517 HydrophobicContact CE1-CD1 3.83Å; Y140-I517 HydrophobicContact CE1-CG2 3.77Å; Y140-I517 HydrophobicContact CG-CG2 4.24Å; Y140-D518 PolarHBondContact N-OD1 2.8Å
141	R	95.4	Very high	96	Very high	14 Å²	14	24.4 Å²	24.4	5%	0.053	12%	0.121	C	C	.	.			trans	-90.1	-8.3	-166.7	-55.7	-168.4	90.1	-133.4	5.5	115	S136 S137 W139 N190 G191 I195 N296 S433 A434	S136-R141 PolarHBondContact OG-NH2 2.98Å; S137-R141 WeakPolarHBondContact O-CD 3.44Å; S137-R141 WeakPolarHBondContact O-CG 3.49Å; S137-R141 PolarHBondContact O-NE 3.14Å; S137-R141 VanDerWaalsContact O-NE 3.12Å; W139-R141 PolarHBondContact O-N 3.49Å; R141-N190 PolarHBondContact NH1-O 2.99Å; R141-G191 VanDerWaalsContact NH1-C 3.28Å; R141-G191 PolarHBondContact NH1-O 2.88Å; R141-I195 HydrophobicContact CG-CD1 4.47Å; R141-N296 PolarHBondContact N-OD1 2.91Å; R141-S433 CarbonylContact O-C 3.41Å; R141-S433 VanDerWaalsContact O-CA 3.25Å; R141-S433 WeakPolarHBondContact O-CA 3.49Å; R141-S433 PolarHBondContact O-OG 2.73Å; R141-A434 HydrophobicContact CB-CB 4.34Å; R141-A434 PolarHBondContact NH2-O 3.36Å; R141-A434 PolarHBondContact O-N 3.14Å
142	W	96.4	Very high	95.9	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	111.9	176.4	172.4	48.8	0	0	0	110.3	Y140 P168 V187 Y224 F275 Y277 N296 M431	Y140-W142 VanDerWaalsContact CE2-O 3.25Å; Y140-W142 WeakPolarHBondContact CE2-O 3.19Å; W142-P168 HydrophobicContact CD2-CG 4.04Å; W142-P168 VanDerWaalsContact CE2-CG 3.46Å; W142-P168 HydrophobicContact CH2-CG 4.4Å; W142-P168 WeakPolarHBondContact CH2-O 3.5Å; W142-P168 HydrophobicContact CZ2-CG 3.63Å; W142-P168 WeakPolarHBondContact CZ2-O 3.41Å; W142-V187 HydrophobicContact CB-CG1 4.4Å; W142-V187 HydrophobicContact CD2-CG1 4.09Å; W142-V187 HydrophobicContact CG-CG1 3.97Å; W142-V187 HydrophobicContact CG-CG2 4.46Å; W142-Y224 AromaticContact CH2-CE2 3.62Å; W142-Y224 HydrophobicContact CH2-CE2 3.62Å; W142-Y224 AromaticContact CH2-CZ 3.6Å; W142-Y224 VanDerWaalsContact CH2-OH 3.3Å; W142-Y224 WeakPolarHBondContact CH2-OH 3.37Å; W142-Y224 HydrophobicContact CZ2-CE2 4.08Å; W142-Y224 AromaticContact CZ2-CZ 3.63Å; W142-Y224 WeakPolarHBondContact CZ2-OH 3.27Å; W142-F275 HydrophobicContact CD2-CZ 4.39Å; W142-F275 HydrophobicContact CE3-CE1 4.35Å; W142-F275 HydrophobicContact CE3-CE2 4.4Å; W142-F275 AromaticContact CE3-CZ 3.67Å; W142-F275 HydrophobicContact CE3-CZ 3.67Å; W142-F275 HydrophobicContact CH2-CE1 4.07Å; W142-F275 AromaticContact CH2-CZ 3.82Å; W142-F275 HydrophobicContact CH2-CZ 3.82Å; W142-F275 AromaticContact CZ3-CE1 3.62Å; W142-F275 HydrophobicContact CZ3-CE1 3.62Å; W142-F275 HydrophobicContact CZ3-CE2 4.42Å; W142-F275 AromaticContact CZ3-CZ 3.33Å; W142-F275 HydrophobicContact CZ3-CZ 3.33Å; W142-Y277 AromaticContact CH2-CD2 3.74Å; W142-Y277 HydrophobicContact CH2-CD2 3.74Å; W142-Y277 AromaticContact CH2-CE2 3.5Å; W142-Y277 HydrophobicContact CH2-CE2 3.5Å; W142-Y277 HydrophobicContact CZ2-CE2 4.47Å; W142-Y277 AromaticContact CZ3-CD2 3.97Å; W142-Y277 HydrophobicContact CZ3-CD2 3.97Å; W142-Y277 HydrophobicContact CZ3-CE2 4.13Å; W142-N296 PolarHBondContact N-OD1 3.4Å; W142-N296 PolarHBondContact O-ND2 2.8Å; W142-M431 HydrophobicContact CZ2-CE 3.7Å
143	A	97.1	Very high	95.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.8	-168.2	0	0	0	0	0	110.6	Y140 M164 M431 I432 W439 A514	Y140-A143 HydrophobicContact CD1-CB 4.5Å; Y140-A143 HydrophobicContact CD2-CB 4.39Å; Y140-A143 HydrophobicContact CE1-CB 3.84Å; Y140-A143 HydrophobicContact CE2-CB 3.64Å; Y140-A143 WeakPolarHBondContact OH-CB 3.43Å; A143-M164 HydrophobicContact CB-CE 3.85Å; A143-M431 CarbonylContact O-C 3.36Å; A143-M431 VanDerWaalsContact O-CA 3.28Å; A143-M431 WeakPolarHBondContact O-CA 3.2Å; A143-I432 HydrophobicContact CB-CG1 3.96Å; A143-I432 PolarHBondContact N-O 3.41Å; A143-I432 PolarHBondContact O-N 2.82Å; A143-W439 HydrophobicContact CB-CZ3 4.47Å; A143-A514 HydrophobicContact CB-CB 3.9Å
144	G	97.1	Very high	95.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.5	168.2	0	0	0	0	0	111.5	M164 N165 F430	G144-M164 CarbonylContact O-C 3.56Å; G144-M164 WeakPolarHBondContact O-CA 3.49Å; G144-N165 PolarHBondContact N-O 2.97Å; G144-N165 WeakPolarHBondContact O-CB 3.41Å; G144-N165 PolarHBondContact O-N 2.85Å; G144-F430 CarbonylContact C-O 3.57Å; G144-F430 VanDerWaalsContact CA-O 3.28Å; G144-F430 WeakPolarHBondContact CA-O 3.45Å
145	A	97.9	Very high	95.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	142.7	170.8	0	0	0	0	0	110.6	L147 I161 E163 M164 R429 F430 T510	A145-L147 HydrophobicContact CB-CD1 3.57Å; A145-L147 HydrophobicContact CB-CG 4.04Å; A145-I161 HydrophobicContact CB-CD1 3.66Å; A145-E163 WeakPolarHBondContact CA-O 3.33Å; A145-M164 HydrophobicContact CB-CE 4.47Å; A145-M164 HydrophobicContact CB-SD 3.51Å; A145-M164 VanDerWaalsContact CB-SD 3.51Å; A145-R429 CarbonylContact O-C 3.37Å; A145-R429 VanDerWaalsContact O-CA 3.3Å; A145-R429 WeakPolarHBondContact O-CA 3.49Å; A145-F430 PolarHBondContact N-O 2.99Å; A145-F430 PolarHBondContact O-N 3.49Å; A145-T510 HydrophobicContact CB-CG2 3.69Å; A145-T510 WeakPolarHBondContact CB-OG1 3.38Å
146	D	97.3	Very high	95.3	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.043	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.7	161.1	-69.1	-13.5	0	0	0	108	I162 E163 R429 R447	D146-I162 HydrophobicContact CB-CB 4.36Å; D146-I162 WeakPolarHBondContact O-CB 3.31Å; D146-I162 PolarHBondContact O-N 2.92Å; D146-E163 HydrophobicContact CB-CG 3.97Å; D146-E163 PolarHBondContact N-O 3.45Å; D146-R429 VanDerWaalsContact CG-NH1 3.33Å; D146-R429 WeakPolarHBondContact OD1-CD 3.48Å; D146-R429 IonicContact OD1-CZ 2.69Å; D146-R429 IonicContact OD1-NE 3.55Å; D146-R429 PolarHBondContact OD1-NE 3.16Å; D146-R429 IonicContact OD1-NH1 2.86Å; D146-R429 PolarHBondContact OD1-NH1 3.49Å; D146-R429 IonicContact OD2-NH1 2.72Å; D146-R429 PolarHBondContact OD2-NH1 2.68Å; D146-R447 IonicContact OD1-CZ 3.4Å; D146-R447 IonicContact OD1-NH1 3.46Å; D146-R447 IonicContact OD1-NH2 3.88Å; D146-R447 PolarHBondContact OD1-NH2 3.31Å; D146-R447 VanDerWaalsContact OD1-NH2 3.08Å; D146-R447 IonicContact OD2-CZ 3.27Å; D146-R447 IonicContact OD2-NH1 2.71Å; D146-R447 IonicContact OD2-NH2 2.77Å; D146-R447 PolarHBondContact OD2-NH2 3.34Å
147	L	98.2	Very high	95.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.7	-176.6	-56	105	0	0	0	112	A145 M159 V160 I161 D427 L428 F430 C506 Q509	A145-L147 HydrophobicContact CB-CD1 3.57Å; A145-L147 HydrophobicContact CB-CG 4.04Å; L147-M159 HydrophobicContact CB-CE 3.99Å; L147-M159 HydrophobicContact CD2-CB 4.09Å; L147-V160 CarbonylContact C-O 3.48Å; L147-V160 VanDerWaalsContact CA-O 3.27Å; L147-V160 WeakPolarHBondContact CA-O 3.17Å; L147-I161 HydrophobicContact CD2-CD1 3.58Å; L147-I161 HydrophobicContact CD2-CG1 4.43Å; L147-I161 HydrophobicContact CG-CD1 3.88Å; L147-D427 CarbonylContact O-C 3.58Å; L147-D427 WeakPolarHBondContact O-CA 3.23Å; L147-D427 VanDerWaalsContact O-CB 3.32Å; L147-D427 WeakPolarHBondContact O-CB 3.45Å; L147-L428 HydrophobicContact CD1-CD2 4.19Å; L147-L428 PolarHBondContact N-O 2.99Å; L147-L428 PolarHBondContact O-N 2.94Å; L147-F430 HydrophobicContact CD1-CB 3.58Å; L147-C506 HydrophobicContact CD1-CB 4.29Å; L147-C506 HydrophobicContact CD2-CB 4.22Å; L147-Q509 HydrophobicContact CD2-CB 3.96Å
148	I	97.8	Very high	95.9	Very high	14 Å²	14	41.6 Å²	41.6	7%	0.072	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.1	171.4	-65.2	179.7	0	0	0	109	T150 V160 I162 I395 D427	I148-T150 HydrophobicContact CB-CG2 4.41Å; I148-T150 HydrophobicContact CG2-CG2 3.89Å; I148-V160 PolarHBondContact N-O 2.91Å; I148-V160 PolarHBondContact O-N 2.66Å; I148-I162 HydrophobicContact CB-CD1 4.25Å; I148-I162 HydrophobicContact CB-CG1 4.29Å; I148-I162 HydrophobicContact CD1-CD1 3.85Å; I148-I162 HydrophobicContact CD1-CG1 3.73Å; I148-I162 HydrophobicContact CG1-CD1 4.07Å; I148-I162 HydrophobicContact CG1-CG1 3.72Å; I148-I395 HydrophobicContact CB-CD1 4.09Å; I148-I395 HydrophobicContact CD1-CD1 4.12Å; I148-I395 HydrophobicContact CG2-CD1 4.03Å; I148-D427 HydrophobicContact CD1-CB 4.39Å; I148-D427 HydrophobicContact CG1-CB 3.71Å
149	R	97.4	Very high	96.2	Very high	41 Å²	41	36.7 Å²	36.7	16%	0.155	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.9	170.4	-165.1	-169	178.2	-170.6	13.7	109.1	M159 I412 S497 E502	R149-M159 HydrophobicContact CB-CE 4.04Å; R149-M159 HydrophobicContact CB-SD 3.59Å; R149-M159 VanDerWaalsContact CB-SD 3.59Å; R149-M159 HydrophobicContact CG-SD 3.66Å; R149-I412 HydrophobicContact CG-CB 4.4Å; R149-I412 HydrophobicContact CG-CD1 3.79Å; R149-I412 PolarHBondContact O-N 3.24Å; R149-S497 PolarHBondContact NH1-O 3.03Å; R149-E502 HydrophobicContact CG-CG 4.46Å; R149-E502 IonicContact CZ-OE1 2.74Å; R149-E502 IonicContact NE-OE1 3.63Å; R149-E502 IonicContact NH2-OE1 2.67Å; R149-E502 PolarHBondContact NH2-OE1 2.89Å; R149-E502 IonicContact NH2-OE2 3.38Å
150	T	97.6	Very high	96.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	160.5	-174.1	65.3	0	0	0	0	112	I148 Q157 R158 V160 I395 L409 F410 I412	I148-T150 HydrophobicContact CB-CG2 4.41Å; I148-T150 HydrophobicContact CG2-CG2 3.89Å; T150-Q157 CarbonylContact O-C 3.58Å; T150-Q157 WeakPolarHBondContact O-CA 3.24Å; T150-R158 PolarHBondContact N-O 2.86Å; T150-R158 PolarHBondContact O-N 3.3Å; T150-R158 PolarHBondContact OG1-O 2.83Å; T150-V160 HydrophobicContact CG2-CB 4.16Å; T150-V160 HydrophobicContact CG2-CG2 3.96Å; T150-V160 WeakPolarHBondContact OG1-CG2 3.42Å; T150-I395 HydrophobicContact CG2-CD1 3.74Å; T150-I395 HydrophobicContact CG2-CG1 4.27Å; T150-I395 HydrophobicContact CG2-CG2 3.85Å; T150-L409 HydrophobicContact CG2-CB 4.33Å; T150-L409 HydrophobicContact CG2-CD1 4.41Å; T150-F410 CarbonylContact C-O 3.5Å; T150-F410 WeakPolarHBondContact CA-O 3.5Å; T150-F410 WeakPolarHBondContact CB-O 3.45Å; T150-I412 WeakPolarHBondContact O-CD1 3.44Å
151	V	97	Very high	96.6	Very high	29 Å²	29	36.1 Å²	36.1	18%	0.176	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.5	165	63.4	0	0	0	0	109	Q156 Q157 F410 I412	V151-Q156 WeakPolarHBondContact CA-O 3.45Å; V151-Q157 HydrophobicContact CB-CG 4.38Å; V151-Q157 HydrophobicContact CG2-CG 4.3Å; V151-F410 HydrophobicContact CG1-CB 3.88Å; V151-F410 PolarHBondContact N-O 2.85Å; V151-F410 WeakPolarHBondContact O-CB 3.5Å; V151-F410 WeakPolarHBondContact O-CD2 3.4Å; V151-F410 PolarHBondContact O-N 3.31Å; V151-I412 HydrophobicContact CB-CD1 4.14Å; V151-I412 HydrophobicContact CB-CG1 4.17Å; V151-I412 HydrophobicContact CG1-CG1 4.16Å
152	N	95.7	Very high	96.6	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.043	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-177.8	175.7	73.6	3.3	0	0	0	112.3	K154 H155 Q156 D407 Q408 L409	N152-K154 PolarHBondContact O-N 3.48Å; N152-K154 WeakPolarHBondContact OD1-CA 3.4Å; N152-K154 WeakPolarHBondContact OD1-CB 3.27Å; N152-K154 PolarHBondContact OD1-N 3.17Å; N152-H155 PolarHBondContact O-N 3.01Å; N152-H155 PolarHBondContact OD1-N 3.38Å; N152-Q156 PolarHBondContact N-O 3.24Å; N152-Q156 VanDerWaalsContact N-O 3.09Å; N152-Q156 PolarHBondContact ND2-OE1 3.41Å; N152-Q156 WeakPolarHBondContact OD1-CB 3.47Å; N152-Q156 PolarHBondContact OD1-N 3.01Å; N152-D407 WeakPolarHBondContact CB-OD1 3.19Å; N152-D407 PolarHBondContact ND2-OD1 3.21Å; N152-Q408 WeakPolarHBondContact CA-O 3.46Å; N152-L409 HydrophobicContact CB-CD2 4.03Å
153	L	92.1	Very high	96.6	Very high	89 Å²	89	38.3 Å²	38.3	47%	0.466	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24	175.1	-93.6	173.3	0	0	0	115.5	H155 R402 F410	L153-H155 VanDerWaalsContact C-N 3.28Å; L153-R402 VanDerWaalsContact CD2-CZ 3.42Å; L153-R402 VanDerWaalsContact CD2-NH2 3.27Å; L153-R402 VanDerWaalsContact CG-NH1 3.32Å; L153-F410 HydrophobicContact CG-CE2 4.39Å
154	K	94.2	Very high	96.6	Very high	157 Å²	157	38.6 Å²	38.6	68%	0.683	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	13.5	178.4	-60.4	178.1	-179.3	176.7	0	112	N152 Q156	N152-K154 PolarHBondContact O-N 3.48Å; N152-K154 WeakPolarHBondContact OD1-CA 3.4Å; N152-K154 WeakPolarHBondContact OD1-CB 3.27Å; N152-K154 PolarHBondContact OD1-N 3.17Å; K154-Q156 HydrophobicContact CB-CG 4.05Å; K154-Q156 PolarHBondContact O-N 2.76Å
155	H	94.6	Very high	96.5	Very high	165 Å²	165	38.9 Å²	38.9	76%	0.764	18%	0.181	S	C	*	.			trans	59.5	21	-175.1	-56.8	-75.9	0	0	0	114.4	N152 L153	N152-H155 PolarHBondContact O-N 3.01Å; N152-H155 PolarHBondContact OD1-N 3.38Å; L153-H155 VanDerWaalsContact C-N 3.28Å
156	Q	94.6	Very high	96.4	Very high	82 Å²	82	39.1 Å²	39.1	38%	0.383	18%	0.182	S	C	.	.			trans	-83.8	120.5	177	-59.8	174	-44.8	0	0	108.8	V151 N152 K154	V151-Q156 WeakPolarHBondContact CA-O 3.45Å; N152-Q156 PolarHBondContact N-O 3.24Å; N152-Q156 VanDerWaalsContact N-O 3.09Å; N152-Q156 PolarHBondContact ND2-OE1 3.41Å; N152-Q156 WeakPolarHBondContact OD1-CB 3.47Å; N152-Q156 PolarHBondContact OD1-N 3.01Å; K154-Q156 HydrophobicContact CB-CG 4.05Å; K154-Q156 PolarHBondContact O-N 2.76Å
157	Q	96	Very high	96.1	Very high	83 Å²	83	39.4 Å²	39.4	39%	0.388	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.5	174.4	-55.1	-168.7	16.2	0	0	110.7	T150 V151 I412	T150-Q157 CarbonylContact O-C 3.58Å; T150-Q157 WeakPolarHBondContact O-CA 3.24Å; V151-Q157 HydrophobicContact CB-CG 4.38Å; V151-Q157 HydrophobicContact CG2-CG 4.3Å; Q157-I412 HydrophobicContact CB-CD1 4.17Å; Q157-I412 HydrophobicContact CG-CD1 3.83Å
158	R	96.7	Very high	95.9	Very high	62 Å²	62	39.4 Å²	39.4	23%	0.234	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150.8	-179.7	-66.9	-63.6	-177.8	-97	4.2	111.6	T150 V160 E505	T150-R158 PolarHBondContact N-O 2.86Å; T150-R158 PolarHBondContact O-N 3.3Å; T150-R158 PolarHBondContact OG1-O 2.83Å; R158-V160 HydrophobicContact CB-CG2 4.3Å; R158-E505 WeakPolarHBondContact CA-OE1 3.41Å; R158-E505 WeakPolarHBondContact CD-OE1 3.44Å
159	M	98.1	Very high	95.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.6	162.6	-61.3	-52	-65.4	0	0	108.7	L147 R149 N330 I498 E502 E505 C506	L147-M159 HydrophobicContact CB-CE 3.99Å; L147-M159 HydrophobicContact CD2-CB 4.09Å; R149-M159 HydrophobicContact CB-CE 4.04Å; R149-M159 HydrophobicContact CB-SD 3.59Å; R149-M159 VanDerWaalsContact CB-SD 3.59Å; R149-M159 HydrophobicContact CG-SD 3.66Å; M159-N330 WeakPolarHBondContact O-CB 3.34Å; M159-N330 PolarHBondContact O-ND2 2.88Å; M159-I498 HydrophobicContact CE-CD1 4.38Å; M159-E502 HydrophobicContact CG-CB 4.36Å; M159-E502 WeakPolarHBondContact CG-O 3.47Å; M159-E502 HydrophobicContact SD-CB 4.1Å; M159-E502 HydrophobicContact SD-CG 4.23Å; M159-E505 HydrophobicContact CB-CB 4.4Å; M159-E505 HydrophobicContact CB-CG 4.03Å; M159-E505 HydrophobicContact CG-CB 4.05Å; M159-E505 HydrophobicContact CG-CG 4.17Å; M159-E505 PolarHBondContact N-OE1 3.33Å; M159-C506 WeakPolarHBondContact CE-SG 3.11Å
160	V	98.4	Very high	95	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.2	-171.7	173.2	0	0	0	0	109.8	L147 I148 T150 R158 I162 N330 P332 L409	L147-V160 CarbonylContact C-O 3.48Å; L147-V160 VanDerWaalsContact CA-O 3.27Å; L147-V160 WeakPolarHBondContact CA-O 3.17Å; I148-V160 PolarHBondContact N-O 2.91Å; I148-V160 PolarHBondContact O-N 2.66Å; T150-V160 HydrophobicContact CG2-CB 4.16Å; T150-V160 HydrophobicContact CG2-CG2 3.96Å; T150-V160 WeakPolarHBondContact OG1-CG2 3.42Å; R158-V160 HydrophobicContact CB-CG2 4.3Å; V160-I162 HydrophobicContact CG1-CD1 4.34Å; V160-I162 PolarHBondContact O-N 3.5Å; V160-N330 CarbonylContact C-O 3.47Å; V160-N330 WeakPolarHBondContact CA-O 3.3Å; V160-N330 HydrophobicContact CG2-CB 4.14Å; V160-P332 VanDerWaalsContact CG1-CD 3.46Å; V160-P332 HydrophobicContact CG1-CG 3.9Å; V160-L409 HydrophobicContact CG1-CD1 4.03Å; V160-L409 HydrophobicContact CG2-CD1 3.99Å
161	I	98.4	Very high	94.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.9	175.7	-59.6	-72.7	0	0	0	109.3	A145 L147 M164 Y315 I329 N330 V331 Q509 A513	A145-I161 HydrophobicContact CB-CD1 3.66Å; L147-I161 HydrophobicContact CD2-CD1 3.58Å; L147-I161 HydrophobicContact CD2-CG1 4.43Å; L147-I161 HydrophobicContact CG-CD1 3.88Å; I161-M164 HydrophobicContact CD1-SD 4.4Å; I161-M164 HydrophobicContact CG2-CG 4.3Å; I161-M164 HydrophobicContact CG2-SD 4.37Å; I161-Y315 HydrophobicContact CG2-CE2 4.5Å; I161-I329 HydrophobicContact CG1-CG2 4.22Å; I161-N330 PolarHBondContact N-O 3.5Å; I161-V331 HydrophobicContact CB-CG1 4.17Å; I161-Q509 HydrophobicContact CD1-CB 4.03Å; I161-Q509 HydrophobicContact CG1-CB 4.15Å; I161-A513 HydrophobicContact CD1-CB 4.35Å; I161-A513 HydrophobicContact CG1-CB 4.31Å
162	I	96.5	Very high	94.3	Very high	35 Å²	35	37.3 Å²	37.3	18%	0.179	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-42.4	174.8	-55.3	-53.9	0	0	0	110.9	D146 I148 V160 P332 K357 I395	D146-I162 HydrophobicContact CB-CB 4.36Å; D146-I162 WeakPolarHBondContact O-CB 3.31Å; D146-I162 PolarHBondContact O-N 2.92Å; I148-I162 HydrophobicContact CB-CD1 4.25Å; I148-I162 HydrophobicContact CB-CG1 4.29Å; I148-I162 HydrophobicContact CD1-CD1 3.85Å; I148-I162 HydrophobicContact CD1-CG1 3.73Å; I148-I162 HydrophobicContact CG1-CD1 4.07Å; I148-I162 HydrophobicContact CG1-CG1 3.72Å; V160-I162 HydrophobicContact CG1-CD1 4.34Å; V160-I162 PolarHBondContact O-N 3.5Å; I162-P332 HydrophobicContact CD1-CG 4.16Å; I162-K357 PolarHBondContact O-NZ 3.33Å; I162-I395 HydrophobicContact CD1-CD1 3.67Å
163	E	95.4	Very high	93.9	Very high	26 Å²	26	37.1 Å²	37.1	12%	0.121	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	162.5	173.2	59.4	170.1	-143.5	0	0	111.8	A145 D146 N165 K308	A145-E163 WeakPolarHBondContact CA-O 3.33Å; D146-E163 HydrophobicContact CB-CG 3.97Å; D146-E163 PolarHBondContact N-O 3.45Å; E163-N165 PolarHBondContact OE1-ND2 3.08Å; E163-K308 WeakPolarHBondContact OE2-CE 3.26Å; E163-K308 IonicContact OE2-NZ 3.73Å; E163-K308 PolarHBondContact OE2-NZ 3.37Å; E163-K308 VanDerWaalsContact OE2-NZ 3.07Å
164	M	96.8	Very high	93.7	Very high	7 Å²	7	32.9 Å²	32.9	3%	0.034	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	149.3	171	-68.1	-64.3	-67.9	0	0	109.6	Y140 A143 G144 A145 I161 G305 Y315 T510 A513 A514 I517	Y140-M164 HydrophobicContact CE1-CE 4.26Å; A143-M164 HydrophobicContact CB-CE 3.85Å; G144-M164 CarbonylContact O-C 3.56Å; G144-M164 WeakPolarHBondContact O-CA 3.49Å; A145-M164 HydrophobicContact CB-CE 4.47Å; A145-M164 HydrophobicContact CB-SD 3.51Å; A145-M164 VanDerWaalsContact CB-SD 3.51Å; I161-M164 HydrophobicContact CD1-SD 4.4Å; I161-M164 HydrophobicContact CG2-CG 4.3Å; I161-M164 HydrophobicContact CG2-SD 4.37Å; M164-G305 VanDerWaalsContact O-O 3.13Å; M164-Y315 WeakPolarHBondContact CG-OH 3.42Å; M164-T510 HydrophobicContact CE-CG2 4.2Å; M164-A513 HydrophobicContact CE-CB 4.21Å; M164-A513 HydrophobicContact CG-CB 3.93Å; M164-A513 HydrophobicContact SD-CB 3.72Å; M164-A514 HydrophobicContact CE-CB 3.83Å; M164-I517 HydrophobicContact CB-CD1 3.56Å; M164-I517 HydrophobicContact CG-CD1 3.74Å
165	N	95.9	Very high	93.2	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.032	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123.6	-173.8	-76.5	-90	0	0	0	111.5	Y140 G144 E163 P168 G305 R429	Y140-N165 PolarHBondContact OH-N 3.5Å; Y140-N165 PolarHBondContact OH-O 2.77Å; G144-N165 PolarHBondContact N-O 2.97Å; G144-N165 WeakPolarHBondContact O-CB 3.41Å; G144-N165 PolarHBondContact O-N 2.85Å; E163-N165 PolarHBondContact OE1-ND2 3.08Å; N165-P168 HydrophobicContact CB-CB 4.24Å; N165-P168 WeakPolarHBondContact O-CD 3.47Å; N165-G305 CarbonylContact C-O 3.57Å; N165-G305 VanDerWaalsContact CA-O 3.28Å; N165-G305 WeakPolarHBondContact CA-O 3.3Å; N165-R429 VanDerWaalsContact CG-NH1 3.35Å; N165-R429 PolarHBondContact ND2-NH1 2.9Å
166	S	94.5	Very high	92.5	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.028	9%	0.09	C	C	.	.	S	Bend	trans	-81.8	-8.8	179.2	71.3	0	0	0	0	115.9	N296 C301 G305	S166-N296 PolarHBondContact O-ND2 3.34Å; S166-C301 PolarHBondContact OG-SG 3.16Å; S166-G305 PolarHBondContact N-O 3.4Å
167	C	92.9	Very high	91.1	Very high	14 Å²	14	18.7 Å²	18.7	10%	0.095	10%	0.097	C	C	.	.	S	Bend	trans	-139.5	69.5	170.6	-64.1	0	0	0	0	107.1	R276 Y277 T279	C167-R276 PolarHBondContact SG-O 2.88Å; C167-Y277 HydrophobicContact CB-CD2 4.45Å; C167-T279 HydrophobicContact CB-CG2 4.1Å
168	P	93.2	Very high	89.8	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.			trans	-70.9	151.1	-177.6	33.2	-36	0	0	0	110.7	W142 N165 Y277 M431	W142-P168 HydrophobicContact CD2-CG 4.04Å; W142-P168 VanDerWaalsContact CE2-CG 3.46Å; W142-P168 HydrophobicContact CH2-CG 4.4Å; W142-P168 WeakPolarHBondContact CH2-O 3.5Å; W142-P168 HydrophobicContact CZ2-CG 3.63Å; W142-P168 WeakPolarHBondContact CZ2-O 3.41Å; N165-P168 HydrophobicContact CB-CB 4.24Å; N165-P168 WeakPolarHBondContact O-CD 3.47Å; P168-Y277 WeakPolarHBondContact O-CE2 3.18Å; P168-Y277 PolarHBondContact O-OH 3.19Å; P168-M431 HydrophobicContact CB-CG 3.91Å; P168-M431 HydrophobicContact CB-SD 4.18Å; P168-M431 HydrophobicContact CG-CE 4.13Å; P168-M431 HydrophobicContact CG-CG 3.99Å; P168-M431 HydrophobicContact CG-SD 4.37Å
169	S	88.2	Confident	88	Confident	30 Å²	30	24.1 Å²	24.1	21%	0.21	12%	0.121	C	C	.	.			trans	-99.1	147.7	166.3	61.7	0	0	0	0	108.8	Y277 M431 Y445	S169-Y277 WeakPolarHBondContact CA-OH 3.17Å; S169-Y277 WeakPolarHBondContact CB-OH 3.35Å; S169-Y277 PolarHBondContact N-OH 2.83Å; S169-M431 VanDerWaalsContact C-SD 3.52Å; S169-M431 VanDerWaalsContact O-SD 3.41Å; S169-Y445 VanDerWaalsContact O-CE1 3.24Å; S169-Y445 WeakPolarHBondContact O-CE1 3.42Å; S169-Y445 PolarHBondContact O-OH 3.21Å; S169-Y445 PolarHBondContact OG-OH 2.92Å
170	G	88.5	Confident	86.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.			trans	165.7	-16.6	167	0	0	0	0	0	116.7	K172 S173 E220 M431	G170-K172 PolarHBondContact O-N 3.24Å; G170-S173 WeakPolarHBondContact O-CB 3.45Å; G170-S173 PolarHBondContact O-N 3.05Å; G170-E220 PolarHBondContact N-OE1 3.48Å; G170-E220 VanDerWaalsContact N-OE1 3.14Å; G170-E220 PolarHBondContact N-OE2 2.83Å; G170-M431 VanDerWaalsContact CA-SD 3.54Å
171	N	90.7	Very high	85.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-61.2	-37.7	-179.7	-78.9	-37	0	0	0	110.8	F89 S173 V174 G183 Y184 E220 Y224 V442 A443	F89-N171 WeakPolarHBondContact CE1-O 3.37Å; F89-N171 WeakPolarHBondContact CZ-O 3.5Å; N171-S173 PolarHBondContact O-N 3.27Å; N171-V174 PolarHBondContact O-N 3.15Å; N171-G183 VanDerWaalsContact CG-C 3.48Å; N171-G183 PolarHBondContact ND2-O 2.93Å; N171-G183 VanDerWaalsContact OD1-CA 3.23Å; N171-G183 WeakPolarHBondContact OD1-CA 3.44Å; N171-Y184 HydrophobicContact CB-CD1 4.1Å; N171-Y184 HydrophobicContact CB-CD2 4.04Å; N171-Y184 HydrophobicContact CB-CE1 3.77Å; N171-Y184 HydrophobicContact CB-CE2 3.71Å; N171-Y184 HydrophobicContact CB-CG 4.23Å; N171-E220 WeakPolarHBondContact CB-OE1 3.38Å; N171-E220 PolarHBondContact N-OE1 3.19Å; N171-Y224 PolarHBondContact ND2-OH 2.95Å; N171-V442 WeakPolarHBondContact OD1-CG1 3.49Å; N171-A443 WeakPolarHBondContact OD1-CB 3.11Å
172	K	89.2	Confident	84.8	Confident	11 Å²	11	26 Å²	26	5%	0.048	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-63.3	-4.7	174.2	72.9	-173.9	163.4	178.3	0	116	H88 F89 Y90 G170 Y184 K219 E220	H88-K172 WeakPolarHBondContact O-CB 3.41Å; F89-K172 VanDerWaalsContact CD1-O 3.24Å; F89-K172 WeakPolarHBondContact CD1-O 3.31Å; Y90-K172 HydrophobicContact CD2-CG 4.2Å; Y90-K172 HydrophobicContact CE1-CD 4.4Å; Y90-K172 HydrophobicContact CE2-CD 3.98Å; Y90-K172 HydrophobicContact CE2-CG 3.81Å; Y90-K172 PolarHBondContact N-O 3.18Å; Y90-K172 VanDerWaalsContact OH-CE 3.24Å; Y90-K172 WeakPolarHBondContact OH-CE 3.48Å; Y90-K172 PolarHBondContact OH-NZ 2.97Å; G170-K172 PolarHBondContact O-N 3.24Å; K172-Y184 PolarHBondContact N-OH 2.64Å; K172-K219 HydrophobicContact CD-CD 4.31Å; K172-K219 HydrophobicContact CD-CG 4.24Å; K172-E220 HydrophobicContact CD-CB 4.43Å; K172-E220 WeakPolarHBondContact CD-OE2 3.44Å; K172-E220 WeakPolarHBondContact CE-OE2 3.49Å; K172-E220 WeakPolarHBondContact CG-OE2 3.44Å
173	S	87.7	Confident	84.6	Confident	4 Å²	4	24.4 Å²	24.4	3%	0.028	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-111.7	1.9	-178.1	-58.2	0	0	0	0	113.2	G170 N171 L487	G170-S173 WeakPolarHBondContact O-CB 3.45Å; G170-S173 PolarHBondContact O-N 3.05Å; N171-S173 PolarHBondContact O-N 3.27Å; S173-L487 WeakPolarHBondContact O-CD2 3.34Å
174	V	87.8	Confident	84.5	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.			trans	-112.4	123.4	-175.1	-175.5	0	0	0	0	111.1	F89 N171 F176 A443 I444 V488	F89-V174 WeakPolarHBondContact CE1-O 3.49Å; N171-V174 PolarHBondContact O-N 3.15Å; V174-F176 VanDerWaalsContact C-N 3.32Å; V174-F176 HydrophobicContact CB-CD2 3.95Å; V174-F176 HydrophobicContact CB-CE2 3.67Å; V174-F176 HydrophobicContact CB-CZ 4.4Å; V174-F176 HydrophobicContact CG1-CD2 3.75Å; V174-F176 HydrophobicContact CG1-CE1 4.32Å; V174-F176 HydrophobicContact CG1-CE2 3.45Å; V174-F176 VanDerWaalsContact CG1-CE2 3.45Å; V174-F176 HydrophobicContact CG1-CG 4.3Å; V174-F176 HydrophobicContact CG1-CZ 3.75Å; V174-F176 HydrophobicContact CG2-CE2 4.47Å; V174-F176 PolarHBondContact O-N 3.23Å; V174-A443 HydrophobicContact CG2-CB 3.64Å; V174-I444 WeakPolarHBondContact CG2-O 3.39Å; V174-V488 HydrophobicContact CG1-CG2 4.16Å
175	P	84	Confident	84.3	Confident	6 Å²	6	26.6 Å²	26.6	4%	0.039	13%	0.129	C	C	.	.			trans	-81.2	70.1	-178.2	33.5	-36.8	0	0	0	112.4	V93 S96 I98 D489	V93-P175 HydrophobicContact CG1-CB 4.14Å; S96-P175 WeakPolarHBondContact O-CB 3.49Å; I98-P175 HydrophobicContact CB-CG 4.11Å; I98-P175 WeakPolarHBondContact CB-O 3.45Å; I98-P175 PolarHBondContact N-O 2.92Å; P175-D489 HydrophobicContact CG-CB 4.13Å
176	F	79.7	Confident	84.2	Confident	12 Å²	12	27.5 Å²	27.5	5%	0.053	13%	0.131	C	C	.	.			trans	-65	152.1	174.8	-75.2	-74.3	0	0	0	112.7	L106 V174 E182 V442	L106-F176 HydrophobicContact CD1-CE1 3.73Å; L106-F176 HydrophobicContact CD1-CZ 4.02Å; V174-F176 VanDerWaalsContact C-N 3.32Å; V174-F176 HydrophobicContact CB-CD2 3.95Å; V174-F176 HydrophobicContact CB-CE2 3.67Å; V174-F176 HydrophobicContact CB-CZ 4.4Å; V174-F176 HydrophobicContact CG1-CD2 3.75Å; V174-F176 HydrophobicContact CG1-CE1 4.32Å; V174-F176 HydrophobicContact CG1-CE2 3.45Å; V174-F176 VanDerWaalsContact CG1-CE2 3.45Å; V174-F176 HydrophobicContact CG1-CG 4.3Å; V174-F176 HydrophobicContact CG1-CZ 3.75Å; V174-F176 HydrophobicContact CG2-CE2 4.47Å; V174-F176 PolarHBondContact O-N 3.23Å; F176-E182 HydrophobicContact CB-CB 4.08Å; F176-E182 HydrophobicContact CD1-CB 3.75Å; F176-E182 HydrophobicContact CD1-CG 4.1Å; F176-E182 WeakPolarHBondContact CD1-OE2 3.45Å; F176-E182 HydrophobicContact CD2-CB 4.32Å; F176-E182 HydrophobicContact CE1-CB 4.24Å; F176-E182 HydrophobicContact CE1-CG 4.26Å; F176-E182 HydrophobicContact CG-CB 3.8Å; F176-V442 VanDerWaalsContact CZ-O 3.25Å; F176-V442 WeakPolarHBondContact CZ-O 3.45Å
177	V	63.8	Low	84.3	Confident	88 Å²	88	27.3 Å²	27.3	53%	0.533	13%	0.13	S	C	.	.	S	Bend	trans	-67.6	-37.4	-178.2	-177.6	0	0	0	0	112.1	W179	V177-W179 PolarHBondContact O-N 2.72Å
178	D	68.9	Low	84.4	Confident	86 Å²	86	26.6 Å²	26.6	46%	0.46	13%	0.126	S	C	.	.	S	Bend	trans	-85.5	58.1	178.5	-173.7	25.3	0	0	0	111.5	G180 Y181	D178-G180 PolarHBondContact O-N 2.99Å; D178-Y181 PolarHBondContact O-N 2.86Å; D178-Y181 VanDerWaalsContact O-N 3.15Å
179	W	59.7	Low	84.5	Confident	173 Å²	173	30.4 Å²	30.4	66%	0.655	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	39.3	38.5	177	-61.4	99.2	0	0	0	114.3	V177	V177-W179 PolarHBondContact O-N 2.72Å
180	G	58.8	Low	84.7	Confident	3 Å²	3	30.6 Å²	30.6	3%	0.031	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-7.1	168.7	0	0	0	0	0	118	F89 D178 E182 Y184	F89-G180 VanDerWaalsContact CE2-C 3.43Å; F89-G180 VanDerWaalsContact CE2-O 3.31Å; F89-G180 WeakPolarHBondContact CE2-O 2.99Å; F89-G180 VanDerWaalsContact CZ-C 3.44Å; F89-G180 WeakPolarHBondContact CZ-O 3.37Å; D178-G180 PolarHBondContact O-N 2.99Å; G180-E182 PolarHBondContact O-N 2.97Å; G180-Y184 WeakPolarHBondContact O-CD2 3.41Å
181	Y	80.5	Confident	84.9	Confident	11 Å²	11	30.6 Å²	30.6	4%	0.043	14%	0.142	C	C	.	.	H	α-helix	trans	-81.9	-15.7	-174.7	-76.2	-78.4	0	0	0	114.9	C83 I84 H88 D178 G183 Y184 R185 L226 M227	C83-Y181 WeakPolarHBondContact CA-OH 3.42Å; C83-Y181 HydrophobicContact CB-CD2 4.21Å; C83-Y181 HydrophobicContact CB-CE2 3.36Å; C83-Y181 WeakPolarHBondContact CB-OH 3.5Å; C83-Y181 WeakPolarHBondContact SG-CE2 3.47Å; I84-Y181 PolarHBondContact N-OH 3.13Å; H88-Y181 AromaticContact CD2-CE1 3.74Å; H88-Y181 AromaticContact CD2-CZ 3.88Å; H88-Y181 AromaticContact CE1-CE1 3.64Å; H88-Y181 AromaticContact CE1-CE2 3.32Å; H88-Y181 WeakPolarHBondContact CE1-CE2 3.03Å; H88-Y181 AromaticContact CE1-CZ 2.96Å; H88-Y181 PolarHBondContact CE1-OH 3.02Å; H88-Y181 AromaticContact ND1-CZ 3.73Å; H88-Y181 PolarHBondContact ND1-OH 3Å; H88-Y181 AromaticContact NE2-CD1 3.81Å; H88-Y181 AromaticContact NE2-CD2 3.8Å; H88-Y181 AromaticContact NE2-CE1 3.3Å; H88-Y181 VanDerWaalsContact NE2-CE1 3.3Å; H88-Y181 WeakPolarHBondContact NE2-CE1 3.03Å; H88-Y181 AromaticContact NE2-CE2 3.27Å; H88-Y181 VanDerWaalsContact NE2-CE2 3.27Å; H88-Y181 WeakPolarHBondContact NE2-CE2 3.16Å; H88-Y181 AromaticContact NE2-CZ 3.03Å; H88-Y181 PolarHBondContact NE2-OH 2.98Å; D178-Y181 PolarHBondContact O-N 2.86Å; D178-Y181 VanDerWaalsContact O-N 3.15Å; Y181-G183 VanDerWaalsContact C-N 3.34Å; Y181-G183 PolarHBondContact O-N 3.06Å; Y181-Y184 HydrophobicContact CD1-CD2 4.5Å; Y181-Y184 WeakPolarHBondContact O-CB 3.35Å; Y181-Y184 PolarHBondContact O-N 3.12Å; Y181-Y184 VanDerWaalsContact O-N 3.11Å; Y181-R185 WeakPolarHBondContact O-CB 3.3Å; Y181-R185 PolarHBondContact O-N 3.45Å; Y181-L226 HydrophobicContact CE1-CD2 3.82Å; Y181-L226 VanDerWaalsContact OH-CD2 3.31Å; Y181-L226 WeakPolarHBondContact OH-CD2 3.48Å; Y181-M227 HydrophobicContact CD1-CE 3.9Å; Y181-M227 HydrophobicContact CG-CE 4.09Å
182	E	88.4	Confident	85.2	Confident	31 Å²	31	30.6 Å²	30.6	15%	0.145	14%	0.142	C	C	.	.	H	α-helix	trans	-57.6	-43.3	-174	-170.8	-179.8	162.5	0	0	112.8	Y107 F176 G180 Y184 R185 R186	Y107-E182 WeakPolarHBondContact CE1-OE1 3.49Å; Y107-E182 VanDerWaalsContact OH-CD 3.23Å; Y107-E182 PolarHBondContact OH-OE1 3.47Å; Y107-E182 PolarHBondContact OH-OE2 3.18Å; F176-E182 HydrophobicContact CB-CB 4.08Å; F176-E182 HydrophobicContact CD1-CB 3.75Å; F176-E182 HydrophobicContact CD1-CG 4.1Å; F176-E182 WeakPolarHBondContact CD1-OE2 3.45Å; F176-E182 HydrophobicContact CD2-CB 4.32Å; F176-E182 HydrophobicContact CE1-CB 4.24Å; F176-E182 HydrophobicContact CE1-CG 4.26Å; F176-E182 HydrophobicContact CG-CB 3.8Å; G180-E182 PolarHBondContact O-N 2.97Å; E182-Y184 PolarHBondContact O-N 3.27Å; E182-R185 WeakPolarHBondContact O-CB 3.42Å; E182-R185 PolarHBondContact O-N 2.99Å; E182-R186 HydrophobicContact CG-CG 4.39Å; E182-R186 WeakPolarHBondContact O-CB 3.36Å; E182-R186 VanDerWaalsContact O-CG 3.28Å; E182-R186 WeakPolarHBondContact O-CG 3.48Å; E182-R186 PolarHBondContact O-N 3.1Å; E182-R186 IonicContact OE1-CZ 2.89Å; E182-R186 VanDerWaalsContact OE1-CZ 3.27Å; E182-R186 IonicContact OE1-NE 3.73Å; E182-R186 PolarHBondContact OE1-NE 3.1Å; E182-R186 IonicContact OE1-NH2 2.82Å; E182-R186 PolarHBondContact OE1-NH2 2.87Å
183	G	91.3	Very high	85.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-41.2	177	0	0	0	0	0	113	N171 Y181 V187	N171-G183 VanDerWaalsContact CG-C 3.48Å; N171-G183 PolarHBondContact ND2-O 2.93Å; N171-G183 VanDerWaalsContact OD1-CA 3.23Å; N171-G183 WeakPolarHBondContact OD1-CA 3.44Å; Y181-G183 VanDerWaalsContact C-N 3.34Å; Y181-G183 PolarHBondContact O-N 3.06Å; G183-V187 WeakPolarHBondContact O-CG2 3.27Å; G183-V187 PolarHBondContact O-N 3.37Å
184	Y	93.7	Very high	85.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.6	-43.1	174.6	-62.4	-81.4	0	0	0	111.3	H88 F89 N171 K172 G180 Y181 E182 V187 M188 E220 G223 Y224	H88-Y184 AromaticContact CD2-CE2 3.68Å; H88-Y184 PolarHBondContact O-OH 3.12Å; F89-Y184 AromaticContact CE2-CE2 3.96Å; F89-Y184 HydrophobicContact CE2-CE2 3.96Å; F89-Y184 AromaticContact CZ-CE2 3.88Å; F89-Y184 HydrophobicContact CZ-CE2 3.88Å; N171-Y184 HydrophobicContact CB-CD1 4.1Å; N171-Y184 HydrophobicContact CB-CD2 4.04Å; N171-Y184 HydrophobicContact CB-CE1 3.77Å; N171-Y184 HydrophobicContact CB-CE2 3.71Å; N171-Y184 HydrophobicContact CB-CG 4.23Å; K172-Y184 PolarHBondContact N-OH 2.64Å; G180-Y184 WeakPolarHBondContact O-CD2 3.41Å; Y181-Y184 HydrophobicContact CD1-CD2 4.5Å; Y181-Y184 WeakPolarHBondContact O-CB 3.35Å; Y181-Y184 PolarHBondContact O-N 3.12Å; Y181-Y184 VanDerWaalsContact O-N 3.11Å; E182-Y184 PolarHBondContact O-N 3.27Å; Y184-V187 PolarHBondContact O-N 3.43Å; Y184-M188 WeakPolarHBondContact O-CG 3.16Å; Y184-M188 PolarHBondContact O-N 3.49Å; Y184-M188 VanDerWaalsContact O-N 3.1Å; Y184-E220 HydrophobicContact CE1-CG 4.21Å; Y184-E220 WeakPolarHBondContact CE1-O 3.49Å; Y184-G223 VanDerWaalsContact CD1-C 3.45Å; Y184-Y224 AromaticContact CD1-CD1 3.61Å; Y184-Y224 HydrophobicContact CD1-CD1 3.61Å; Y184-Y224 HydrophobicContact CD1-CD2 4.23Å; Y184-Y224 AromaticContact CD1-CE1 3.62Å; Y184-Y224 HydrophobicContact CD1-CE1 3.62Å; Y184-Y224 HydrophobicContact CD1-CE2 4.24Å; Y184-Y224 AromaticContact CD1-CG 3.91Å; Y184-Y224 HydrophobicContact CD1-CG 3.91Å; Y184-Y224 AromaticContact CD1-CZ 3.92Å; Y184-Y224 HydrophobicContact CE1-CD1 4.45Å; Y184-Y224 HydrophobicContact CE1-CD2 4.29Å; Y184-Y224 HydrophobicContact CE1-CE1 4.34Å; Y184-Y224 HydrophobicContact CE1-CE2 4.19Å; Y184-Y224 HydrophobicContact CE1-CG 4.4Å; Y184-Y224 HydrophobicContact CG-CE1 4.48Å
185	R	93.6	Very high	85.9	Confident	80 Å²	80	32.5 Å²	32.5	30%	0.302	15%	0.153	S	C	.	.	H	α-helix	trans	-59.2	-50.4	176.7	-175.3	-172.2	-60.1	-78.5	-0.4	111.3	Y181 E182 V187 M188 E189 M227	Y181-R185 WeakPolarHBondContact O-CB 3.3Å; Y181-R185 PolarHBondContact O-N 3.45Å; E182-R185 WeakPolarHBondContact O-CB 3.42Å; E182-R185 PolarHBondContact O-N 2.99Å; R185-V187 VanDerWaalsContact C-N 3.31Å; R185-V187 PolarHBondContact O-N 2.92Å; R185-M188 PolarHBondContact O-N 3.38Å; R185-E189 WeakPolarHBondContact CD-OE1 3.5Å; R185-E189 HydrophobicContact CG-CG 4.01Å; R185-E189 VanDerWaalsContact CG-OE1 3.3Å; R185-E189 WeakPolarHBondContact CG-OE1 3.43Å; R185-E189 WeakPolarHBondContact CG-OE2 3.35Å; R185-E189 IonicContact NH1-OE1 3.18Å; R185-E189 WeakPolarHBondContact O-CB 3.46Å; R185-E189 WeakPolarHBondContact O-CG 3.12Å; R185-E189 PolarHBondContact O-N 3.19Å; R185-M227 HydrophobicContact CB-CE 3.89Å; R185-M227 HydrophobicContact CB-CG 4.24Å; R185-M227 HydrophobicContact CB-SD 3.78Å; R185-M227 HydrophobicContact CG-SD 4.03Å
186	R	93.5	Very high	86.4	Confident	24 Å²	24	33.1 Å²	33.1	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-44.9	178.5	-74.7	173.9	-179.3	-142.1	0.9	111.9	L106 E182 N190 P441 V442	L106-R186 PolarHBondContact O-NH1 2.81Å; L106-R186 PolarHBondContact O-NH2 2.69Å; L106-R186 VanDerWaalsContact O-NH2 3.15Å; E182-R186 HydrophobicContact CG-CG 4.39Å; E182-R186 WeakPolarHBondContact O-CB 3.36Å; E182-R186 VanDerWaalsContact O-CG 3.28Å; E182-R186 WeakPolarHBondContact O-CG 3.48Å; E182-R186 PolarHBondContact O-N 3.1Å; E182-R186 IonicContact OE1-CZ 2.89Å; E182-R186 VanDerWaalsContact OE1-CZ 3.27Å; E182-R186 IonicContact OE1-NE 3.73Å; E182-R186 PolarHBondContact OE1-NE 3.1Å; E182-R186 IonicContact OE1-NH2 2.82Å; E182-R186 PolarHBondContact OE1-NH2 2.87Å; R186-N190 WeakPolarHBondContact O-CB 3.38Å; R186-N190 PolarHBondContact O-N 3.49Å; R186-P441 PolarHBondContact NH1-O 2.81Å; R186-V442 HydrophobicContact CB-CG2 4.38Å
187	V	95.3	Very high	86.9	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-64.4	-42.9	177.4	176.6	0	0	0	0	111.3	W142 G183 Y184 R185 G191 F192 Y224 F275 V442	W142-V187 HydrophobicContact CB-CG1 4.4Å; W142-V187 HydrophobicContact CD2-CG1 4.09Å; W142-V187 HydrophobicContact CG-CG1 3.97Å; W142-V187 HydrophobicContact CG-CG2 4.46Å; G183-V187 WeakPolarHBondContact O-CG2 3.27Å; G183-V187 PolarHBondContact O-N 3.37Å; Y184-V187 PolarHBondContact O-N 3.43Å; R185-V187 VanDerWaalsContact C-N 3.31Å; R185-V187 PolarHBondContact O-N 2.92Å; V187-G191 VanDerWaalsContact O-CA 3.25Å; V187-G191 WeakPolarHBondContact O-CA 3.16Å; V187-G191 PolarHBondContact O-N 3.17Å; V187-F192 PolarHBondContact O-N 3.36Å; V187-Y224 HydrophobicContact CB-CE1 3.9Å; V187-Y224 HydrophobicContact CG1-CE1 3.91Å; V187-Y224 HydrophobicContact CG2-CE1 4.13Å; V187-F275 HydrophobicContact CG1-CE2 3.71Å; V187-F275 HydrophobicContact CG1-CZ 3.96Å; V187-V442 HydrophobicContact CG2-CB 4.46Å; V187-V442 HydrophobicContact CG2-CG1 3.49Å; V187-V442 VanDerWaalsContact CG2-CG1 3.49Å; V187-V442 HydrophobicContact CG2-CG2 4.15Å
188	M	95.7	Very high	88	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-68.7	-49.8	-179.6	-69.9	-62.8	166.1	0	0	112	Y184 R185 N190 F192 L193 Y224 M227 L228 L231 F275	Y184-M188 WeakPolarHBondContact O-CG 3.16Å; Y184-M188 PolarHBondContact O-N 3.49Å; Y184-M188 VanDerWaalsContact O-N 3.1Å; R185-M188 PolarHBondContact O-N 3.38Å; M188-N190 PolarHBondContact O-N 3.12Å; M188-F192 WeakPolarHBondContact O-CB 3.44Å; M188-F192 PolarHBondContact O-N 3.44Å; M188-F192 VanDerWaalsContact O-N 3.12Å; M188-F192 HydrophobicContact SD-CB 3.87Å; M188-F192 HydrophobicContact SD-CD1 4.46Å; M188-F192 HydrophobicContact SD-CG 4.06Å; M188-L193 WeakPolarHBondContact O-CG 3.45Å; M188-L193 PolarHBondContact O-N 2.74Å; M188-Y224 VanDerWaalsContact CE-CB 3.45Å; M188-Y224 HydrophobicContact CE-CD1 3.47Å; M188-Y224 VanDerWaalsContact CE-CD1 3.47Å; M188-Y224 HydrophobicContact CE-CG 3.81Å; M188-Y224 WeakPolarHBondContact CE-O 3.3Å; M188-M227 HydrophobicContact CB-CG 4.23Å; M188-M227 HydrophobicContact CG-CB 4.35Å; M188-M227 HydrophobicContact CG-CG 3.95Å; M188-L228 HydrophobicContact CE-CB 4.27Å; M188-L228 HydrophobicContact SD-CB 4.06Å; M188-L228 HydrophobicContact SD-CD1 4.09Å; M188-L231 HydrophobicContact CB-CD1 3.62Å; M188-F275 HydrophobicContact CE-CB 4.34Å; M188-F275 HydrophobicContact CE-CD1 4.39Å; M188-F275 HydrophobicContact CE-CD2 3.35Å; M188-F275 HydrophobicContact CE-CE2 3.63Å; M188-F275 HydrophobicContact CE-CG 3.77Å; M188-F275 HydrophobicContact CE-CZ 4.24Å; M188-F275 HydrophobicContact SD-CD2 4.02Å; M188-F275 HydrophobicContact SD-CE2 4.36Å
189	E	94.6	Very high	88.6	Confident	80 Å²	80	37.8 Å²	37.8	37%	0.374	17%	0.172	S	C	.	.	I	π-helix	trans	-66.8	-36.1	-177.7	-71.1	177.8	168.2	0	0	112.9	R185 L193 P194 L231	R185-E189 WeakPolarHBondContact CD-OE1 3.5Å; R185-E189 HydrophobicContact CG-CG 4.01Å; R185-E189 VanDerWaalsContact CG-OE1 3.3Å; R185-E189 WeakPolarHBondContact CG-OE1 3.43Å; R185-E189 WeakPolarHBondContact CG-OE2 3.35Å; R185-E189 IonicContact NH1-OE1 3.18Å; R185-E189 WeakPolarHBondContact O-CB 3.46Å; R185-E189 WeakPolarHBondContact O-CG 3.12Å; R185-E189 PolarHBondContact O-N 3.19Å; E189-L193 HydrophobicContact CG-CD1 4.32Å; E189-P194 WeakPolarHBondContact O-CD 3.42Å; E189-P194 WeakPolarHBondContact O-CG 3.4Å; E189-L231 HydrophobicContact CG-CD1 3.89Å; E189-L231 HydrophobicContact CG-CD2 4.33Å; E189-L231 WeakPolarHBondContact OE1-CD2 3.38Å
190	N	93.5	Very high	89	Confident	34 Å²	34	31.9 Å²	31.9	18%	0.182	17%	0.165	C	C	.	.	I	π-helix	trans	-90.3	-52.1	-180	-63.5	-15.8	0	0	0	111.5	R141 R186 M188 P194 A434 G435	R141-N190 PolarHBondContact NH1-O 2.99Å; R186-N190 WeakPolarHBondContact O-CB 3.38Å; R186-N190 PolarHBondContact O-N 3.49Å; M188-N190 PolarHBondContact O-N 3.12Å; N190-P194 WeakPolarHBondContact O-CD 3.23Å; N190-P194 VanDerWaalsContact O-CG 3.28Å; N190-P194 WeakPolarHBondContact O-CG 3.38Å; N190-A434 CarbonylContact C-O 3.49Å; N190-A434 VanDerWaalsContact C-O 3.28Å; N190-G435 WeakPolarHBondContact O-CA 3.43Å
191	G	93.2	Very high	89.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-85.2	-34.2	-169	0	0	0	0	0	114.9	R141 V187 S433	R141-G191 VanDerWaalsContact NH1-C 3.28Å; R141-G191 PolarHBondContact NH1-O 2.88Å; V187-G191 VanDerWaalsContact O-CA 3.25Å; V187-G191 WeakPolarHBondContact O-CA 3.16Å; V187-G191 PolarHBondContact O-N 3.17Å; G191-S433 PolarHBondContact N-OG 3.23Å
192	F	95.3	Very high	89.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-105.8	-61.7	-170.1	-168	-84.1	0	0	0	113.8	V187 M188 P194 I195 L196 L228 A273 F275 M293 V295	V187-F192 PolarHBondContact O-N 3.36Å; M188-F192 WeakPolarHBondContact O-CB 3.44Å; M188-F192 PolarHBondContact O-N 3.44Å; M188-F192 VanDerWaalsContact O-N 3.12Å; M188-F192 HydrophobicContact SD-CB 3.87Å; M188-F192 HydrophobicContact SD-CD1 4.46Å; M188-F192 HydrophobicContact SD-CG 4.06Å; F192-P194 VanDerWaalsContact C-CD 3.45Å; F192-I195 PolarHBondContact O-N 2.88Å; F192-L196 HydrophobicContact CD1-CB 4.47Å; F192-L196 HydrophobicContact CE1-CB 4.35Å; F192-L196 HydrophobicContact CE1-CD2 4.04Å; F192-L196 PolarHBondContact O-N 2.89Å; F192-L196 VanDerWaalsContact O-N 3.15Å; F192-L228 HydrophobicContact CD1-CD1 3.68Å; F192-L228 HydrophobicContact CE1-CD1 3.58Å; F192-L228 HydrophobicContact CE1-CD2 4.01Å; F192-L228 HydrophobicContact CE1-CG 4.47Å; F192-L228 HydrophobicContact CZ-CD1 4.44Å; F192-L228 HydrophobicContact CZ-CD2 4.05Å; F192-A273 HydrophobicContact CE1-CB 4.37Å; F192-A273 HydrophobicContact CZ-CB 3.77Å; F192-F275 HydrophobicContact CD2-CB 4.19Å; F192-F275 AromaticContact CD2-CD2 3.79Å; F192-F275 HydrophobicContact CD2-CD2 3.79Å; F192-F275 HydrophobicContact CE2-CB 3.94Å; F192-F275 HydrophobicContact CE2-CD2 4.39Å; F192-M293 HydrophobicContact CD1-CE 4.33Å; F192-M293 HydrophobicContact CD2-CE 4.07Å; F192-M293 HydrophobicContact CE1-CE 4.29Å; F192-M293 HydrophobicContact CE2-CE 3.98Å; F192-M293 HydrophobicContact CG-CE 4.22Å; F192-M293 HydrophobicContact CZ-CE 4.11Å; F192-M293 WeakPolarHBondContact O-CE 3.46Å; F192-V295 HydrophobicContact CB-CG2 4.12Å; F192-V295 HydrophobicContact CD2-CB 3.88Å; F192-V295 HydrophobicContact CD2-CG2 3.19Å; F192-V295 HydrophobicContact CE2-CB 4.39Å; F192-V295 HydrophobicContact CE2-CG2 3.8Å; F192-V295 HydrophobicContact CG-CG2 3.92Å
193	L	95.4	Very high	89.9	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-36.4	-173	-65.9	179.2	0	0	0	114.2	M188 E189 I195 L196 R197 L228 L231 T232	M188-L193 WeakPolarHBondContact O-CG 3.45Å; M188-L193 PolarHBondContact O-N 2.74Å; E189-L193 HydrophobicContact CG-CD1 4.32Å; L193-I195 VanDerWaalsContact C-N 3.31Å; L193-I195 PolarHBondContact O-N 3.5Å; L193-L196 HydrophobicContact CD2-CD2 4.17Å; L193-L196 PolarHBondContact O-N 3.37Å; L193-R197 WeakPolarHBondContact O-CB 3.14Å; L193-R197 VanDerWaalsContact O-CG 3.26Å; L193-R197 WeakPolarHBondContact O-CG 3.35Å; L193-R197 PolarHBondContact O-N 3.16Å; L193-L228 HydrophobicContact CD2-CD1 4.15Å; L193-L231 HydrophobicContact CD1-CB 3.88Å; L193-L231 HydrophobicContact CD1-CD1 3.84Å; L193-L231 HydrophobicContact CD1-CG 4.37Å; L193-T232 HydrophobicContact CD2-CG2 3.65Å
194	P	93.6	Very high	89.9	Confident	27 Å²	27	45.5 Å²	45.5	18%	0.175	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-38.3	179.1	-29	40.7	0	0	0	112.7	E189 N190 F192 S198 P436	E189-P194 WeakPolarHBondContact O-CD 3.42Å; E189-P194 WeakPolarHBondContact O-CG 3.4Å; N190-P194 WeakPolarHBondContact O-CD 3.23Å; N190-P194 VanDerWaalsContact O-CG 3.28Å; N190-P194 WeakPolarHBondContact O-CG 3.38Å; F192-P194 VanDerWaalsContact C-CD 3.45Å; P194-S198 WeakPolarHBondContact O-CB 3.41Å; P194-S198 PolarHBondContact O-N 2.85Å; P194-S198 PolarHBondContact O-OG 3.43Å; P194-P436 HydrophobicContact CB-CG 3.95Å; P194-P436 HydrophobicContact CG-CG 4.12Å
195	I	91.3	Very high	89.8	Confident	23 Å²	23	49.7 Å²	49.7	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-70.9	-45.8	175.2	-55.8	166.8	0	0	0	110.3	R141 F192 L193 R197 S198 D199 M293 V295	R141-I195 HydrophobicContact CG-CD1 4.47Å; F192-I195 PolarHBondContact O-N 2.88Å; L193-I195 VanDerWaalsContact C-N 3.31Å; L193-I195 PolarHBondContact O-N 3.5Å; I195-R197 PolarHBondContact O-N 3.07Å; I195-S198 WeakPolarHBondContact CA-OG 3.38Å; I195-S198 PolarHBondContact O-N 3.32Å; I195-S198 PolarHBondContact O-OG 3.23Å; I195-S198 VanDerWaalsContact O-OG 3.08Å; I195-D199 VanDerWaalsContact CG2-OD2 3.23Å; I195-D199 WeakPolarHBondContact CG2-OD2 3.48Å; I195-D199 WeakPolarHBondContact O-CB 3.25Å; I195-D199 PolarHBondContact O-N 3.36Å; I195-M293 HydrophobicContact CB-CE 3.66Å; I195-M293 HydrophobicContact CB-SD 3.82Å; I195-M293 HydrophobicContact CD1-CE 4.27Å; I195-M293 HydrophobicContact CG2-CE 3.88Å; I195-M293 HydrophobicContact CG2-CG 3.9Å; I195-M293 HydrophobicContact CG2-SD 3.45Å; I195-M293 WeakPolarHBondContact CG2-SD 3.43Å; I195-V295 HydrophobicContact CD1-CG2 4.26Å
196	L	93.8	Very high	89.9	Confident	19 Å²	19	47 Å²	47	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-55.9	-39.5	-179.9	179.3	66.2	0	0	0	111.3	F192 L193 L203 L208 T232 A273 M293	F192-L196 HydrophobicContact CD1-CB 4.47Å; F192-L196 HydrophobicContact CE1-CB 4.35Å; F192-L196 HydrophobicContact CE1-CD2 4.04Å; F192-L196 PolarHBondContact O-N 2.89Å; F192-L196 VanDerWaalsContact O-N 3.15Å; L193-L196 HydrophobicContact CD2-CD2 4.17Å; L193-L196 PolarHBondContact O-N 3.37Å; L196-L203 HydrophobicContact CD1-CD1 3.87Å; L196-L208 HydrophobicContact CD1-CD2 4.14Å; L196-L208 HydrophobicContact CD2-CD1 4.44Å; L196-L208 HydrophobicContact CD2-CD2 4.17Å; L196-T232 HydrophobicContact CD2-CG2 4.21Å; L196-A273 HydrophobicContact CD1-CB 3.78Å; L196-M293 HydrophobicContact CB-CE 4.33Å; L196-M293 HydrophobicContact CB-SD 4.13Å; L196-M293 HydrophobicContact CD1-SD 4.49Å
197	R	91.4	Very high	90.1	Very high	177 Å²	177	45.9 Å²	45.9	67%	0.668	27%	0.273	S	S	*	.	H	α-helix	trans	-77.3	-41.6	179	-68.2	171.4	-176.4	168.9	1.4	112.6	L193 I195 D199 G200	L193-R197 WeakPolarHBondContact O-CB 3.14Å; L193-R197 VanDerWaalsContact O-CG 3.26Å; L193-R197 WeakPolarHBondContact O-CG 3.35Å; L193-R197 PolarHBondContact O-N 3.16Å; I195-R197 PolarHBondContact O-N 3.07Å; R197-D199 VanDerWaalsContact C-N 3.28Å; R197-D199 PolarHBondContact O-N 2.98Å; R197-G200 PolarHBondContact O-N 3.19Å
198	S	85.9	Confident	90.2	Very high	83 Å²	83	45.9 Å²	45.9	58%	0.58	27%	0.273	S	S	*	.	H	α-helix	trans	-66.3	-33	179.7	65.1	0	0	0	0	112.7	P194 I195	P194-S198 WeakPolarHBondContact O-CB 3.41Å; P194-S198 PolarHBondContact O-N 2.85Å; P194-S198 PolarHBondContact O-OG 3.43Å; I195-S198 WeakPolarHBondContact CA-OG 3.38Å; I195-S198 PolarHBondContact O-N 3.32Å; I195-S198 PolarHBondContact O-OG 3.23Å; I195-S198 VanDerWaalsContact O-OG 3.08Å
199	D	81.5	Confident	90.3	Very high	24 Å²	24	45.9 Å²	45.9	13%	0.128	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6.8	-174.5	-62.5	-1.6	0	0	0	112.8	I195 R197 T201 L202 L203 R528	I195-D199 VanDerWaalsContact CG2-OD2 3.23Å; I195-D199 WeakPolarHBondContact CG2-OD2 3.48Å; I195-D199 WeakPolarHBondContact O-CB 3.25Å; I195-D199 PolarHBondContact O-N 3.36Å; R197-D199 VanDerWaalsContact C-N 3.28Å; R197-D199 PolarHBondContact O-N 2.98Å; D199-T201 PolarHBondContact O-N 2.7Å; D199-L202 WeakPolarHBondContact O-CA 3.41Å; D199-L202 WeakPolarHBondContact O-CB 3.45Å; D199-L202 PolarHBondContact O-N 3.41Å; D199-L203 HydrophobicContact CB-CD1 4.12Å; D199-L203 HydrophobicContact CB-CD2 3.92Å; D199-L203 HydrophobicContact CB-CG 3.76Å; D199-L203 WeakPolarHBondContact O-CG 3.17Å; D199-L203 PolarHBondContact O-N 2.94Å; D199-L203 VanDerWaalsContact O-N 3.09Å; D199-R528 IonicContact OD2-CZ 2.88Å; D199-R528 IonicContact OD2-NH1 2.69Å; D199-R528 PolarHBondContact OD2-NH1 2.8Å; D199-R528 IonicContact OD2-NH2 2.73Å; D199-R528 PolarHBondContact OD2-NH2 3.3Å
200	G	68.2	Low	90.5	Very high	50 Å²	50	42 Å²	42	52%	0.515	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.2	-164.6	0	0	0	0	0	115.5	R197	R197-G200 PolarHBondContact O-N 3.19Å
201	T	70.8	Confident	90.7	Very high	139 Å²	139	40.5 Å²	40.5	85%	0.853	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.5	177.3	55	0	0	0	0	114.5	D199	D199-T201 PolarHBondContact O-N 2.7Å
202	L	85	Confident	90.8	Very high	141 Å²	141	40.5 Å²	40.5	74%	0.738	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-20.2	-178.7	-62	174.5	0	0	0	112.8	D199	D199-L202 WeakPolarHBondContact O-CA 3.41Å; D199-L202 WeakPolarHBondContact O-CB 3.45Å; D199-L202 PolarHBondContact O-N 3.41Å
203	L	90.7	Very high	90.7	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.11	25%	0.247	C	C	.	.	S	Bend	trans	-78.9	148.8	178.2	-59.7	-176.2	0	0	0	110.9	L196 D199 R272 M293	L196-L203 HydrophobicContact CD1-CD1 3.87Å; D199-L203 HydrophobicContact CB-CD1 4.12Å; D199-L203 HydrophobicContact CB-CD2 3.92Å; D199-L203 HydrophobicContact CB-CG 3.76Å; D199-L203 WeakPolarHBondContact O-CG 3.17Å; D199-L203 PolarHBondContact O-N 2.94Å; D199-L203 VanDerWaalsContact O-N 3.09Å; L203-R272 HydrophobicContact CB-CB 4.43Å; L203-M293 HydrophobicContact CD1-CB 4.06Å; L203-M293 HydrophobicContact CD1-SD 4.24Å; L203-M293 HydrophobicContact CD2-CB 3.7Å
204	P	91.8	Very high	90.4	Very high	30 Å²	30	40.5 Å²	40.5	20%	0.195	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-62.4	161.4	171	29.1	-35	0	0	0	110.5	V258 R272 K291	P204-V258 HydrophobicContact CB-CG1 4.38Å; P204-V258 HydrophobicContact CB-CG2 4.21Å; P204-V258 HydrophobicContact CG-CG1 4.11Å; P204-V258 HydrophobicContact CG-CG2 4.13Å; P204-R272 HydrophobicContact CG-CB 4.37Å; P204-R272 WeakPolarHBondContact O-CB 3.33Å; P204-K291 WeakPolarHBondContact CD-O 3.38Å
205	A	92.3	Very high	90.1	Very high	87 Å²	87	42.7 Å²	42.7	72%	0.719	26%	0.256	S	S	*	.	S	Bend	trans	-64	148.8	164.1	0	0	0	0	0	109.5	D270	A205-D270 WeakPolarHBondContact O-CB 3.5Å
206	G	95.2	Very high	89.8	Confident	23 Å²	23	43.6 Å²	43.6	24%	0.237	26%	0.259	C	S	.	.			trans	157.2	176.1	178.5	0	0	0	0	0	113.9	D270 R272	G206-D270 CarbonylContact C-O 3.53Å; G206-D270 WeakPolarHBondContact CA-O 3.28Å; G206-R272 WeakPolarHBondContact O-CD 3.18Å; G206-R272 PolarHBondContact O-NH1 2.78Å
207	G	96.8	Very high	89.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-175.2	174.1	0	0	0	0	0	113.4	D270 I271 R272	G207-D270 PolarHBondContact N-O 2.85Å; G207-I271 WeakPolarHBondContact O-CA 3.38Å; G207-I271 WeakPolarHBondContact O-CG2 3.37Å; G207-R272 WeakPolarHBondContact O-CG 3.43Å; G207-R272 PolarHBondContact O-N 3.11Å
208	L	98.1	Very high	89.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.3	171.8	-62.3	177.2	0	0	0	109.2	L196 L228 T232 E234 V236 Y237 R272 A273	L196-L208 HydrophobicContact CD1-CD2 4.14Å; L196-L208 HydrophobicContact CD2-CD1 4.44Å; L196-L208 HydrophobicContact CD2-CD2 4.17Å; L208-L228 HydrophobicContact CB-CD2 4.22Å; L208-L228 HydrophobicContact CD1-CD1 4.27Å; L208-L228 HydrophobicContact CD1-CD2 4.32Å; L208-L228 HydrophobicContact CD1-CG 4.15Å; L208-T232 HydrophobicContact CD1-CG2 3.78Å; L208-E234 HydrophobicContact CD1-CB 4.4Å; L208-V236 HydrophobicContact CB-CG2 4.07Å; L208-V236 HydrophobicContact CD1-CG2 4.43Å; L208-Y237 WeakPolarHBondContact O-CD2 3.25Å; L208-Y237 PolarHBondContact O-N 2.86Å; L208-R272 HydrophobicContact CD2-CG 4.23Å; L208-A273 HydrophobicContact CD2-CB 3.78Å
209	A	98.4	Very high	89.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156.7	173.3	0	0	0	0	0	113.5	L211 Y237 V239 L261 I271 A273 L274 F275	A209-L211 HydrophobicContact CB-CD2 4.4Å; A209-Y237 CarbonylContact C-O 3.54Å; A209-Y237 WeakPolarHBondContact CA-O 3.11Å; A209-Y237 WeakPolarHBondContact CB-O 3.5Å; A209-V239 HydrophobicContact CB-CG2 4.31Å; A209-L261 HydrophobicContact CB-CD1 4.04Å; A209-I271 HydrophobicContact CB-CD1 4.42Å; A209-I271 HydrophobicContact CB-CG2 4.01Å; A209-A273 PolarHBondContact N-O 3.13Å; A209-A273 VanDerWaalsContact N-O 3.16Å; A209-L274 HydrophobicContact CB-CD2 3.67Å; A209-L274 CarbonylContact O-C 3.6Å; A209-L274 WeakPolarHBondContact O-CA 3.4Å; A209-F275 PolarHBondContact O-N 3.28Å
210	V	98.1	Very high	90.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.1	169.3	-178	0	0	0	0	108.1	A225 L228 V236 Y237 L238 V239 F275	V210-A225 HydrophobicContact CB-CB 4.08Å; V210-A225 HydrophobicContact CG2-CB 3.62Å; V210-L228 HydrophobicContact CG2-CD2 4.48Å; V210-V236 HydrophobicContact CG2-CG1 3.87Å; V210-Y237 PolarHBondContact N-O 3.16Å; V210-L238 HydrophobicContact CB-CD1 4.07Å; V210-L238 HydrophobicContact CG1-CD1 4.09Å; V210-V239 PolarHBondContact O-N 2.81Å; V210-F275 WeakPolarHBondContact CA-O 3.5Å; V210-F275 HydrophobicContact CB-CB 4.47Å; V210-F275 HydrophobicContact CG1-CB 4.37Å; V210-F275 HydrophobicContact CG1-CD1 4.06Å; V210-F275 HydrophobicContact CG2-CB 3.97Å
211	L	97.5	Very high	91.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.4	-178.9	-51.4	-174.8	0	0	0	110.6	A209 V239 V241 M251 L274 F275 Y277 V278 L286	A209-L211 HydrophobicContact CB-CD2 4.4Å; L211-V239 WeakPolarHBondContact CA-O 3.39Å; L211-V239 HydrophobicContact CD2-CB 3.62Å; L211-V239 HydrophobicContact CD2-CG1 4.15Å; L211-V239 HydrophobicContact CD2-CG2 3.9Å; L211-V241 HydrophobicContact CB-CG1 4.21Å; L211-V241 HydrophobicContact CD1-CG1 4.45Å; L211-V241 HydrophobicContact CD2-CG1 4.21Å; L211-M251 HydrophobicContact CD1-CE 3.75Å; L211-M251 HydrophobicContact CD1-SD 4.34Å; L211-L274 HydrophobicContact CD1-CD1 4.06Å; L211-L274 HydrophobicContact CD1-CD2 4.11Å; L211-L274 HydrophobicContact CD2-CD2 4.02Å; L211-L274 HydrophobicContact CG-CD2 3.99Å; L211-F275 PolarHBondContact N-O 2.67Å; L211-Y277 CarbonylContact O-C 3.55Å; L211-Y277 VanDerWaalsContact O-C 3.26Å; L211-Y277 WeakPolarHBondContact O-CA 3.44Å; L211-Y277 WeakPolarHBondContact O-CB 3.37Å; L211-Y277 PolarHBondContact O-N 3.17Å; L211-V278 HydrophobicContact CB-CG2 3.79Å; L211-L286 HydrophobicContact CD1-CD2 3.84Å
212	Y	95.6	Very high	92.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.7	171.9	72.6	-83.2	0	0	0	111.3	I215 R218 S221 L238 V239 N240 V241	Y212-I215 HydrophobicContact CE2-CD1 4.28Å; Y212-R218 HydrophobicContact CD2-CB 4.48Å; Y212-R218 HydrophobicContact CE2-CB 3.88Å; Y212-R218 HydrophobicContact CE2-CG 4.47Å; Y212-S221 VanDerWaalsContact CB-OG 3.26Å; Y212-S221 WeakPolarHBondContact CB-OG 3.39Å; Y212-L238 HydrophobicContact CD1-CD1 3.58Å; Y212-L238 HydrophobicContact CD1-CG 4.22Å; Y212-L238 HydrophobicContact CE1-CD1 3.72Å; Y212-L238 HydrophobicContact CE1-CD2 4.47Å; Y212-L238 HydrophobicContact CE1-CG 3.82Å; Y212-V239 WeakPolarHBondContact CD1-O 3.28Å; Y212-V239 PolarHBondContact N-O 3.17Å; Y212-N240 HydrophobicContact CE1-CB 3.93Å; Y212-N240 HydrophobicContact CE2-CB 3.87Å; Y212-N240 CarbonylContact O-C 3.04Å; Y212-N240 WeakPolarHBondContact O-CA 3.12Å; Y212-V241 WeakPolarHBondContact O-CG2 3.25Å; Y212-V241 PolarHBondContact O-N 2.83Å
213	D	92.8	Very high	93.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	12%	0.116	C	C	.	.	S	Bend	trans	-116.1	-15.4	-172.6	59.1	-9.8	0	0	0	115.3	Q217 V241 G242 F243 V278 T279 R280	D213-Q217 PolarHBondContact OD1-OE1 2.98Å; D213-Q217 VanDerWaalsContact OD1-OE1 3.05Å; D213-V241 HydrophobicContact CB-CG2 3.88Å; D213-G242 WeakPolarHBondContact CB-O 3.4Å; D213-G242 CarbonylContact O-C 3.57Å; D213-F243 PolarHBondContact O-N 2.69Å; D213-V278 HydrophobicContact CB-CG1 4.22Å; D213-T279 VanDerWaalsContact CG-N 3.25Å; D213-T279 PolarHBondContact OD1-N 3.15Å; D213-T279 VanDerWaalsContact OD1-N 3.09Å; D213-T279 PolarHBondContact OD1-OG1 2.85Å; D213-T279 PolarHBondContact OD2-N 2.92Å; D213-R280 VanDerWaalsContact OD2-CB 3.31Å; D213-R280 WeakPolarHBondContact OD2-CB 3.37Å; D213-R280 PolarHBondContact OD2-N 3.03Å
214	V	88.9	Confident	93.4	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.024	11%	0.111	C	C	.	.	S	Bend	trans	-122.8	129.4	179.1	-170.7	0	0	0	0	109.7	K216 Q217 R280 T477	V214-K216 VanDerWaalsContact C-N 3.29Å; V214-K216 HydrophobicContact CG1-CG 3.84Å; V214-K216 PolarHBondContact O-N 2.89Å; V214-K216 VanDerWaalsContact O-N 3.14Å; V214-Q217 HydrophobicContact CB-CG 4.1Å; V214-Q217 WeakPolarHBondContact O-CA 3.29Å; V214-Q217 WeakPolarHBondContact O-CB 3.38Å; V214-Q217 PolarHBondContact O-N 2.91Å; V214-R280 HydrophobicContact CG2-CG 4.18Å; V214-T477 HydrophobicContact CG1-CG2 3.97Å; V214-T477 HydrophobicContact CG2-CG2 4.4Å
215	I	87.5	Confident	93.6	Very high	72 Å²	72	17.7 Å²	17.7	37%	0.369	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-56.8	-38	-172	-171.6	55.5	0	0	0	114.4	I71 Y212 Q217 R218	I71-I215 HydrophobicContact CB-CD1 4.49Å; I71-I215 HydrophobicContact CD1-CD1 3.49Å; I71-I215 VanDerWaalsContact CD1-CD1 3.49Å; I71-I215 HydrophobicContact CD1-CG1 3.62Å; I71-I215 HydrophobicContact CG2-CD1 3.71Å; Y212-I215 HydrophobicContact CE2-CD1 4.28Å; I215-Q217 PolarHBondContact O-N 2.95Å; I215-R218 HydrophobicContact CD1-CB 4.28Å; I215-R218 VanDerWaalsContact O-CB 3.25Å; I215-R218 WeakPolarHBondContact O-CB 3.39Å; I215-R218 PolarHBondContact O-N 3.4Å
216	K	85.8	Confident	93.7	Very high	43 Å²	43	13.6 Å²	13.6	19%	0.187	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-62.5	-13.2	176.6	69.5	169.8	177.4	171.4	0	114.2	V214 S471 G476 G479	V214-K216 VanDerWaalsContact C-N 3.29Å; V214-K216 HydrophobicContact CG1-CG 3.84Å; V214-K216 PolarHBondContact O-N 2.89Å; V214-K216 VanDerWaalsContact O-N 3.14Å; K216-S471 VanDerWaalsContact NZ-CB 3.31Å; K216-S471 PolarHBondContact NZ-OG 3.47Å; K216-G476 WeakPolarHBondContact CE-O 3.39Å; K216-G476 PolarHBondContact NZ-O 3.13Å; K216-G479 PolarHBondContact NZ-O 3.5Å
217	Q	88.5	Confident	93.8	Very high	16 Å²	16	12.5 Å²	12.5	8%	0.075	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-87.7	-15.6	176.9	-62.4	173.9	-13.8	0	0	112.6	D213 V214 I215 K219 E220 S221 Y277 T279	D213-Q217 PolarHBondContact OD1-OE1 2.98Å; D213-Q217 VanDerWaalsContact OD1-OE1 3.05Å; V214-Q217 HydrophobicContact CB-CG 4.1Å; V214-Q217 WeakPolarHBondContact O-CA 3.29Å; V214-Q217 WeakPolarHBondContact O-CB 3.38Å; V214-Q217 PolarHBondContact O-N 2.91Å; I215-Q217 PolarHBondContact O-N 2.95Å; Q217-K219 PolarHBondContact O-N 3.48Å; Q217-K219 VanDerWaalsContact O-N 3.09Å; Q217-E220 PolarHBondContact O-N 3.03Å; Q217-S221 PolarHBondContact O-N 3.44Å; Q217-S221 PolarHBondContact O-OG 2.85Å; Q217-Y277 HydrophobicContact CB-CD1 3.81Å; Q217-Y277 HydrophobicContact CB-CE1 3.63Å; Q217-Y277 HydrophobicContact CG-CD1 4.21Å; Q217-Y277 HydrophobicContact CG-CE1 3.71Å; Q217-Y277 PolarHBondContact OE1-O 3.4Å; Q217-T279 PolarHBondContact NE2-OG1 2.96Å
218	R	92.4	Very high	93.7	Very high	60 Å²	60	12.5 Å²	12.5	23%	0.226	6%	0.056	C	C	.	.	H	α-helix	trans	-47.4	-43.3	177.3	-177.1	-174.3	170.6	-85.6	-2.8	111.7	E75 E87 Y212 I215 E220 S221 Y222 L238	E75-R218 IonicContact OE1-CZ 3.31Å; E75-R218 IonicContact OE1-NE 3.65Å; E75-R218 PolarHBondContact OE1-NE 3.41Å; E75-R218 IonicContact OE1-NH2 2.68Å; E75-R218 IonicContact OE2-CZ 3.44Å; E75-R218 IonicContact OE2-NE 3.24Å; E75-R218 PolarHBondContact OE2-NE 3.03Å; E75-R218 IonicContact OE2-NH2 3.27Å; E75-R218 PolarHBondContact OE2-NH2 3.26Å; E87-R218 IonicContact OE2-NH1 2.76Å; Y212-R218 HydrophobicContact CD2-CB 4.48Å; Y212-R218 HydrophobicContact CE2-CB 3.88Å; Y212-R218 HydrophobicContact CE2-CG 4.47Å; I215-R218 HydrophobicContact CD1-CB 4.28Å; I215-R218 VanDerWaalsContact O-CB 3.25Å; I215-R218 WeakPolarHBondContact O-CB 3.39Å; I215-R218 PolarHBondContact O-N 3.4Å; R218-E220 VanDerWaalsContact C-N 3.32Å; R218-E220 PolarHBondContact O-N 3.44Å; R218-S221 PolarHBondContact O-N 2.75Å; R218-Y222 WeakPolarHBondContact O-CB 3.38Å; R218-Y222 PolarHBondContact O-N 3.35Å; R218-L238 HydrophobicContact CG-CD2 4.41Å
219	K	90.2	Very high	93.7	Very high	56 Å²	56	12.5 Å²	12.5	24%	0.243	6%	0.056	C	C	.	.	H	α-helix	trans	-51.5	-45.6	176.8	-180	168.1	-77.7	-71.7	0	113.3	E86 E87 H88 F89 Y90 K172 Q217	E86-K219 PolarHBondContact O-NZ 2.88Å; E87-K219 WeakPolarHBondContact O-CG 3.46Å; E87-K219 PolarHBondContact O-NZ 3.09Å; H88-K219 WeakPolarHBondContact CA-O 3.16Å; H88-K219 WeakPolarHBondContact CB-O 3.47Å; H88-K219 WeakPolarHBondContact O-CG 3.28Å; F89-K219 WeakPolarHBondContact O-CE 3.48Å; F89-K219 PolarHBondContact O-NZ 2.72Å; Y90-K219 HydrophobicContact CD1-CD 4.42Å; Y90-K219 HydrophobicContact CE1-CD 4.45Å; K172-K219 HydrophobicContact CD-CD 4.31Å; K172-K219 HydrophobicContact CD-CG 4.24Å; Q217-K219 PolarHBondContact O-N 3.48Å; Q217-K219 VanDerWaalsContact O-N 3.09Å
220	E	92.3	Very high	93.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-76.7	-42.8	177.7	-167.3	99.6	-169.2	0	0	111.1	G170 N171 K172 Y184 Q217 R218 Y222 G223 Y224 Y277	G170-E220 PolarHBondContact N-OE1 3.48Å; G170-E220 VanDerWaalsContact N-OE1 3.14Å; G170-E220 PolarHBondContact N-OE2 2.83Å; N171-E220 WeakPolarHBondContact CB-OE1 3.38Å; N171-E220 PolarHBondContact N-OE1 3.19Å; K172-E220 HydrophobicContact CD-CB 4.43Å; K172-E220 WeakPolarHBondContact CD-OE2 3.44Å; K172-E220 WeakPolarHBondContact CE-OE2 3.49Å; K172-E220 WeakPolarHBondContact CG-OE2 3.44Å; Y184-E220 HydrophobicContact CE1-CG 4.21Å; Y184-E220 WeakPolarHBondContact CE1-O 3.49Å; Q217-E220 PolarHBondContact O-N 3.03Å; R218-E220 VanDerWaalsContact C-N 3.32Å; R218-E220 PolarHBondContact O-N 3.44Å; E220-Y222 VanDerWaalsContact C-N 3.32Å; E220-Y222 PolarHBondContact O-N 2.79Å; E220-G223 PolarHBondContact O-N 2.88Å; E220-Y224 HydrophobicContact CG-CD2 4.2Å; E220-Y224 HydrophobicContact CG-CE2 3.59Å; E220-Y224 VanDerWaalsContact O-CD2 3.24Å; E220-Y224 WeakPolarHBondContact O-CD2 3.28Å; E220-Y224 PolarHBondContact O-N 3.11Å; E220-Y277 HydrophobicContact CG-CE2 4.19Å
221	S	94.6	Very high	93.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-34.9	-178	-54.4	0	0	0	0	112.8	Y212 Q217 R218 Y224 A225 Y277	Y212-S221 VanDerWaalsContact CB-OG 3.26Å; Y212-S221 WeakPolarHBondContact CB-OG 3.39Å; Q217-S221 PolarHBondContact O-N 3.44Å; Q217-S221 PolarHBondContact O-OG 2.85Å; R218-S221 PolarHBondContact O-N 2.75Å; S221-Y224 PolarHBondContact O-N 3.19Å; S221-A225 WeakPolarHBondContact O-CB 3.24Å; S221-A225 PolarHBondContact O-N 3.04Å; S221-Y277 WeakPolarHBondContact OG-CD1 3.49Å
222	Y	94.5	Very high	93.4	Very high	8 Å²	8	17.9 Å²	17.9	3%	0.031	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-45.6	172.8	175.9	-94.6	0	0	0	111.3	I77 E81 E87 H88 R218 E220 Y224 A225 L226 L238	I77-Y222 HydrophobicContact CD1-CD2 3.9Å; I77-Y222 HydrophobicContact CD1-CE2 3.74Å; E81-Y222 PolarHBondContact OE1-OH 2.82Å; E87-Y222 HydrophobicContact CB-CD1 4.08Å; E87-Y222 HydrophobicContact CB-CE1 3.72Å; H88-Y222 HydrophobicContact CB-CD1 4.17Å; R218-Y222 WeakPolarHBondContact O-CB 3.38Å; R218-Y222 PolarHBondContact O-N 3.35Å; E220-Y222 VanDerWaalsContact C-N 3.32Å; E220-Y222 PolarHBondContact O-N 2.79Å; Y222-Y224 VanDerWaalsContact C-N 3.26Å; Y222-Y224 PolarHBondContact O-N 3.1Å; Y222-A225 PolarHBondContact O-N 3.22Å; Y222-A225 VanDerWaalsContact O-N 3.09Å; Y222-L226 HydrophobicContact CE1-CD2 4.03Å; Y222-L226 WeakPolarHBondContact O-CB 3.45Å; Y222-L226 PolarHBondContact O-N 3.38Å; Y222-L238 HydrophobicContact CD2-CD2 4.09Å
223	G	93.8	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.8	-37.9	175.2	0	0	0	0	0	113	Y184 E220 M227	Y184-G223 VanDerWaalsContact CD1-C 3.45Å; E220-G223 PolarHBondContact O-N 2.88Å; G223-M227 WeakPolarHBondContact O-CB 3.11Å; G223-M227 PolarHBondContact O-N 2.77Å; G223-M227 VanDerWaalsContact O-N 3.16Å
224	Y	95.7	Very high	93.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-44.7	172.4	-72.9	-55.7	0	0	0	113.2	W142 N171 Y184 V187 M188 E220 S221 Y222 M227 L228 F275 Y277	W142-Y224 AromaticContact CH2-CE2 3.62Å; W142-Y224 HydrophobicContact CH2-CE2 3.62Å; W142-Y224 AromaticContact CH2-CZ 3.6Å; W142-Y224 VanDerWaalsContact CH2-OH 3.3Å; W142-Y224 WeakPolarHBondContact CH2-OH 3.37Å; W142-Y224 HydrophobicContact CZ2-CE2 4.08Å; W142-Y224 AromaticContact CZ2-CZ 3.63Å; W142-Y224 WeakPolarHBondContact CZ2-OH 3.27Å; N171-Y224 PolarHBondContact ND2-OH 2.95Å; Y184-Y224 AromaticContact CD1-CD1 3.61Å; Y184-Y224 HydrophobicContact CD1-CD1 3.61Å; Y184-Y224 HydrophobicContact CD1-CD2 4.23Å; Y184-Y224 AromaticContact CD1-CE1 3.62Å; Y184-Y224 HydrophobicContact CD1-CE1 3.62Å; Y184-Y224 HydrophobicContact CD1-CE2 4.24Å; Y184-Y224 AromaticContact CD1-CG 3.91Å; Y184-Y224 HydrophobicContact CD1-CG 3.91Å; Y184-Y224 AromaticContact CD1-CZ 3.92Å; Y184-Y224 HydrophobicContact CE1-CD1 4.45Å; Y184-Y224 HydrophobicContact CE1-CD2 4.29Å; Y184-Y224 HydrophobicContact CE1-CE1 4.34Å; Y184-Y224 HydrophobicContact CE1-CE2 4.19Å; Y184-Y224 HydrophobicContact CE1-CG 4.4Å; Y184-Y224 HydrophobicContact CG-CE1 4.48Å; V187-Y224 HydrophobicContact CB-CE1 3.9Å; V187-Y224 HydrophobicContact CG1-CE1 3.91Å; V187-Y224 HydrophobicContact CG2-CE1 4.13Å; M188-Y224 VanDerWaalsContact CE-CB 3.45Å; M188-Y224 HydrophobicContact CE-CD1 3.47Å; M188-Y224 VanDerWaalsContact CE-CD1 3.47Å; M188-Y224 HydrophobicContact CE-CG 3.81Å; M188-Y224 WeakPolarHBondContact CE-O 3.3Å; E220-Y224 HydrophobicContact CG-CD2 4.2Å; E220-Y224 HydrophobicContact CG-CE2 3.59Å; E220-Y224 VanDerWaalsContact O-CD2 3.24Å; E220-Y224 WeakPolarHBondContact O-CD2 3.28Å; E220-Y224 PolarHBondContact O-N 3.11Å; S221-Y224 PolarHBondContact O-N 3.19Å; Y222-Y224 VanDerWaalsContact C-N 3.26Å; Y222-Y224 PolarHBondContact O-N 3.1Å; Y224-M227 PolarHBondContact O-N 3.27Å; Y224-L228 VanDerWaalsContact O-CB 3.3Å; Y224-L228 WeakPolarHBondContact O-CB 3.37Å; Y224-L228 PolarHBondContact O-N 3.39Å; Y224-F275 HydrophobicContact CD1-CE1 4.08Å; Y224-F275 HydrophobicContact CD1-CE2 4.24Å; Y224-F275 AromaticContact CD1-CZ 3.76Å; Y224-F275 HydrophobicContact CD1-CZ 3.76Å; Y224-F275 HydrophobicContact CD2-CD1 4.29Å; Y224-F275 AromaticContact CD2-CE1 3.53Å; Y224-F275 HydrophobicContact CD2-CE1 3.53Å; Y224-F275 AromaticContact CD2-CZ 3.96Å; Y224-F275 HydrophobicContact CD2-CZ 3.96Å; Y224-F275 HydrophobicContact CE1-CE1 4.4Å; Y224-F275 HydrophobicContact CE1-CE2 4.5Å; Y224-F275 AromaticContact CE1-CZ 3.84Å; Y224-F275 HydrophobicContact CE1-CZ 3.84Å; Y224-F275 AromaticContact CE2-CE1 3.87Å; Y224-F275 HydrophobicContact CE2-CE1 3.87Å; Y224-F275 HydrophobicContact CE2-CZ 4.02Å; Y224-F275 HydrophobicContact CG-CD1 4.2Å; Y224-F275 AromaticContact CG-CE1 3.65Å; Y224-F275 HydrophobicContact CG-CE1 3.65Å; Y224-F275 AromaticContact CG-CZ 3.84Å; Y224-F275 HydrophobicContact CG-CZ 3.84Å; Y224-F275 AromaticContact CZ-CZ 3.98Å; Y224-Y277 HydrophobicContact CE2-CD2 4.29Å; Y224-Y277 HydrophobicContact CE2-CE2 4.25Å
225	A	96.5	Very high	94.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-45.8	-179.4	0	0	0	0	0	111.5	I77 V210 S221 Y222 L228 A229 V236 L238	I77-A225 HydrophobicContact CB-CB 4.48Å; I77-A225 HydrophobicContact CG1-CB 3.88Å; V210-A225 HydrophobicContact CB-CB 4.08Å; V210-A225 HydrophobicContact CG2-CB 3.62Å; S221-A225 WeakPolarHBondContact O-CB 3.24Å; S221-A225 PolarHBondContact O-N 3.04Å; Y222-A225 PolarHBondContact O-N 3.22Å; Y222-A225 VanDerWaalsContact O-N 3.09Å; A225-L228 PolarHBondContact O-N 3.28Å; A225-A229 WeakPolarHBondContact O-CB 3.39Å; A225-A229 PolarHBondContact O-N 3.25Å; A225-V236 HydrophobicContact CB-CG1 3.98Å; A225-L238 HydrophobicContact CB-CB 4.1Å; A225-L238 HydrophobicContact CB-CD1 4.36Å
226	L	95.5	Very high	94.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-45.8	177.8	-175.4	61.1	0	0	0	111.9	I77 E81 Y181 Y222 L228 A229 K230	I77-L226 HydrophobicContact CG2-CB 4.22Å; I77-L226 HydrophobicContact CG2-CD1 3.96Å; E81-L226 HydrophobicContact CB-CD1 3.8Å; E81-L226 HydrophobicContact CG-CD1 4.12Å; Y181-L226 HydrophobicContact CE1-CD2 3.82Å; Y181-L226 VanDerWaalsContact OH-CD2 3.31Å; Y181-L226 WeakPolarHBondContact OH-CD2 3.48Å; Y222-L226 HydrophobicContact CE1-CD2 4.03Å; Y222-L226 WeakPolarHBondContact O-CB 3.45Å; Y222-L226 PolarHBondContact O-N 3.38Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 3.34Å; L226-A229 PolarHBondContact O-N 3.29Å; L226-K230 HydrophobicContact CG-CD 4.42Å; L226-K230 WeakPolarHBondContact O-CB 3.21Å; L226-K230 WeakPolarHBondContact O-CG 3.24Å; L226-K230 PolarHBondContact O-N 3.05Å
227	M	95.3	Very high	95.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-41	176.7	-177.1	53	58.7	0	0	111.9	Y181 R185 M188 G223 Y224 K230 L231	Y181-M227 HydrophobicContact CD1-CE 3.9Å; Y181-M227 HydrophobicContact CG-CE 4.09Å; R185-M227 HydrophobicContact CB-CE 3.89Å; R185-M227 HydrophobicContact CB-CG 4.24Å; R185-M227 HydrophobicContact CB-SD 3.78Å; R185-M227 HydrophobicContact CG-SD 4.03Å; M188-M227 HydrophobicContact CB-CG 4.23Å; M188-M227 HydrophobicContact CG-CB 4.35Å; M188-M227 HydrophobicContact CG-CG 3.95Å; G223-M227 WeakPolarHBondContact O-CB 3.11Å; G223-M227 PolarHBondContact O-N 2.77Å; G223-M227 VanDerWaalsContact O-N 3.16Å; Y224-M227 PolarHBondContact O-N 3.27Å; M227-K230 PolarHBondContact O-N 2.97Å; M227-L231 HydrophobicContact CG-CD1 3.73Å; M227-L231 HydrophobicContact CG-CG 4.32Å; M227-L231 WeakPolarHBondContact O-CB 3.36Å; M227-L231 VanDerWaalsContact O-CG 3.28Å; M227-L231 WeakPolarHBondContact O-CG 3.41Å; M227-L231 PolarHBondContact O-N 2.87Å; M227-L231 HydrophobicContact SD-CD1 3.65Å; M227-L231 HydrophobicContact SD-CD2 4.31Å; M227-L231 HydrophobicContact SD-CG 3.72Å
228	L	96.6	Very high	95.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-45.2	176.9	-177.7	59.3	0	0	0	111.3	M188 F192 L193 L208 V210 Y224 A225 L226 K230 L231 T232 V236	M188-L228 HydrophobicContact CE-CB 4.27Å; M188-L228 HydrophobicContact SD-CB 4.06Å; M188-L228 HydrophobicContact SD-CD1 4.09Å; F192-L228 HydrophobicContact CD1-CD1 3.68Å; F192-L228 HydrophobicContact CE1-CD1 3.58Å; F192-L228 HydrophobicContact CE1-CD2 4.01Å; F192-L228 HydrophobicContact CE1-CG 4.47Å; F192-L228 HydrophobicContact CZ-CD1 4.44Å; F192-L228 HydrophobicContact CZ-CD2 4.05Å; L193-L228 HydrophobicContact CD2-CD1 4.15Å; L208-L228 HydrophobicContact CB-CD2 4.22Å; L208-L228 HydrophobicContact CD1-CD1 4.27Å; L208-L228 HydrophobicContact CD1-CD2 4.32Å; L208-L228 HydrophobicContact CD1-CG 4.15Å; V210-L228 HydrophobicContact CG2-CD2 4.48Å; Y224-L228 VanDerWaalsContact O-CB 3.3Å; Y224-L228 WeakPolarHBondContact O-CB 3.37Å; Y224-L228 PolarHBondContact O-N 3.39Å; A225-L228 PolarHBondContact O-N 3.28Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 3.34Å; L228-K230 PolarHBondContact O-N 2.83Å; L228-L231 PolarHBondContact O-N 3.37Å; L228-T232 HydrophobicContact CD1-CG2 3.74Å; L228-T232 HydrophobicContact CG-CG2 4.49Å; L228-T232 WeakPolarHBondContact O-CB 3.25Å; L228-T232 WeakPolarHBondContact O-CG2 3.34Å; L228-T232 PolarHBondContact O-N 3.31Å; L228-T232 PolarHBondContact O-OG1 2.82Å; L228-V236 HydrophobicContact CB-CG2 4.07Å; L228-V236 HydrophobicContact CD2-CG1 4.16Å; L228-V236 HydrophobicContact CD2-CG2 4.05Å; L228-V236 HydrophobicContact CG-CG2 3.81Å
229	A	97.3	Very high	95.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.5	-45.1	177.1	0	0	0	0	0	111.2	I77 A225 L226 L231 T232 K233 E234 V236	I77-A229 HydrophobicContact CG2-CB 4.04Å; A225-A229 WeakPolarHBondContact O-CB 3.39Å; A225-A229 PolarHBondContact O-N 3.25Å; L226-A229 PolarHBondContact O-N 3.29Å; A229-L231 PolarHBondContact O-N 3.47Å; A229-T232 PolarHBondContact O-N 2.9Å; A229-K233 WeakPolarHBondContact O-CA 3.35Å; A229-K233 PolarHBondContact O-N 2.77Å; A229-E234 WeakPolarHBondContact CA-O 2.83Å; A229-E234 WeakPolarHBondContact CB-O 3.31Å; A229-V236 HydrophobicContact CB-CB 4.22Å; A229-V236 HydrophobicContact CB-CG2 3.77Å
230	K	95.1	Very high	96.1	Very high	48 Å²	48	20.8 Å²	20.8	21%	0.209	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-40.5	178.7	-77.7	-175.1	-177.7	-54.9	0	114.1	P79 E81 C83 L226 M227 L228 K233	P79-K230 WeakPolarHBondContact O-CG 3.31Å; P79-K230 PolarHBondContact O-NZ 2.8Å; E81-K230 WeakPolarHBondContact O-CE 3.45Å; E81-K230 PolarHBondContact O-NZ 3.08Å; C83-K230 WeakPolarHBondContact SG-CE 3.46Å; L226-K230 HydrophobicContact CG-CD 4.42Å; L226-K230 WeakPolarHBondContact O-CB 3.21Å; L226-K230 WeakPolarHBondContact O-CG 3.24Å; L226-K230 PolarHBondContact O-N 3.05Å; M227-K230 PolarHBondContact O-N 2.97Å; L228-K230 PolarHBondContact O-N 2.83Å; K230-K233 WeakPolarHBondContact O-CD 3.26Å; K230-K233 VanDerWaalsContact O-CE 3.26Å; K230-K233 WeakPolarHBondContact O-CE 3.39Å; K230-K233 PolarHBondContact O-NZ 2.81Å
231	L	95.7	Very high	96.2	Very high	39 Å²	39	21 Å²	21	20%	0.204	10%	0.1	C	C	.	.	H	α-helix	trans	-79.1	-29.8	-178.1	-70.3	171.8	0	0	0	113.2	M188 E189 L193 M227 L228 A229	M188-L231 HydrophobicContact CB-CD1 3.62Å; E189-L231 HydrophobicContact CG-CD1 3.89Å; E189-L231 HydrophobicContact CG-CD2 4.33Å; E189-L231 WeakPolarHBondContact OE1-CD2 3.38Å; L193-L231 HydrophobicContact CD1-CB 3.88Å; L193-L231 HydrophobicContact CD1-CD1 3.84Å; L193-L231 HydrophobicContact CD1-CG 4.37Å; M227-L231 HydrophobicContact CG-CD1 3.73Å; M227-L231 HydrophobicContact CG-CG 4.32Å; M227-L231 WeakPolarHBondContact O-CB 3.36Å; M227-L231 VanDerWaalsContact O-CG 3.28Å; M227-L231 WeakPolarHBondContact O-CG 3.41Å; M227-L231 PolarHBondContact O-N 2.87Å; M227-L231 HydrophobicContact SD-CD1 3.65Å; M227-L231 HydrophobicContact SD-CD2 4.31Å; M227-L231 HydrophobicContact SD-CG 3.72Å; L228-L231 PolarHBondContact O-N 3.37Å; A229-L231 PolarHBondContact O-N 3.47Å
232	T	96	Very high	96	Very high	27 Å²	27	22 Å²	22	17%	0.166	11%	0.111	C	C	.	.	H	α-helix	trans	-94.5	-19.6	-179	57.2	0	0	0	0	113.4	L193 L196 L208 L228 A229 E234	L193-T232 HydrophobicContact CD2-CG2 3.65Å; L196-T232 HydrophobicContact CD2-CG2 4.21Å; L208-T232 HydrophobicContact CD1-CG2 3.78Å; L228-T232 HydrophobicContact CD1-CG2 3.74Å; L228-T232 HydrophobicContact CG-CG2 4.49Å; L228-T232 WeakPolarHBondContact O-CB 3.25Å; L228-T232 WeakPolarHBondContact O-CG2 3.34Å; L228-T232 PolarHBondContact O-N 3.31Å; L228-T232 PolarHBondContact O-OG1 2.82Å; A229-T232 PolarHBondContact O-N 2.9Å; T232-E234 PolarHBondContact O-N 2.72Å; T232-E234 PolarHBondContact OG1-N 2.73Å
233	K	97.1	Very high	95.6	Very high	146 Å²	146	26.2 Å²	26.2	64%	0.635	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	34.3	-170.3	-52.3	-55.8	-175.5	-165.3	0	112.2	P79 A229 K230	P79-K233 HydrophobicContact CB-CD 4.32Å; P79-K233 VanDerWaalsContact CG-C 3.45Å; A229-K233 WeakPolarHBondContact O-CA 3.35Å; A229-K233 PolarHBondContact O-N 2.77Å; K230-K233 WeakPolarHBondContact O-CD 3.26Å; K230-K233 VanDerWaalsContact O-CE 3.26Å; K230-K233 WeakPolarHBondContact O-CE 3.39Å; K230-K233 PolarHBondContact O-NZ 2.81Å
234	E	97.4	Very high	95.3	Very high	66 Å²	66	32.8 Å²	32.8	31%	0.308	16%	0.161	S	C	.	.	S	Bend	trans	-127	153.4	178.1	-66.5	177.9	-106.6	0	0	111	L208 A229 T232 V236 R272	L208-E234 HydrophobicContact CD1-CB 4.4Å; A229-E234 WeakPolarHBondContact CA-O 2.83Å; A229-E234 WeakPolarHBondContact CB-O 3.31Å; T232-E234 PolarHBondContact O-N 2.72Å; T232-E234 PolarHBondContact OG1-N 2.73Å; E234-V236 PolarHBondContact O-N 2.82Å; E234-R272 IonicContact OE1-CZ 2.95Å; E234-R272 IonicContact OE1-NH2 3.33Å; E234-R272 PolarHBondContact OE1-NH2 3.02Å; E234-R272 IonicContact OE2-CZ 3.3Å; E234-R272 IonicContact OE2-NH1 3.01Å; E234-R272 PolarHBondContact OE2-NH1 2.96Å; E234-R272 IonicContact OE2-NH2 3.47Å; E234-R272 PolarHBondContact OE2-NH2 3.16Å
235	I	97.8	Very high	94.8	Very high	64 Å²	64	37.8 Å²	37.8	33%	0.328	18%	0.184	S	C	.	.			trans	-61.5	133.3	168.9	-69.1	169.9	0	0	0	109.6	I76 I77 Y237	I76-I235 HydrophobicContact CG2-CG2 3.61Å; I77-I235 WeakPolarHBondContact O-CA 3.42Å; I235-Y237 HydrophobicContact CG2-CE1 4.31Å; I235-Y237 HydrophobicContact CG2-CE2 4.45Å
236	V	98.3	Very high	94.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.7	173.9	177.9	0	0	0	0	109.8	I77 L208 V210 A225 L228 A229 E234	I77-V236 HydrophobicContact CB-CB 4.42Å; I77-V236 WeakPolarHBondContact CB-O 3.48Å; I77-V236 PolarHBondContact N-O 2.98Å; I77-V236 PolarHBondContact O-N 2.92Å; L208-V236 HydrophobicContact CB-CG2 4.07Å; L208-V236 HydrophobicContact CD1-CG2 4.43Å; V210-V236 HydrophobicContact CG2-CG1 3.87Å; A225-V236 HydrophobicContact CB-CG1 3.98Å; L228-V236 HydrophobicContact CB-CG2 4.07Å; L228-V236 HydrophobicContact CD2-CG1 4.16Å; L228-V236 HydrophobicContact CD2-CG2 4.05Å; L228-V236 HydrophobicContact CG-CG2 3.81Å; A229-V236 HydrophobicContact CB-CB 4.22Å; A229-V236 HydrophobicContact CB-CG2 3.77Å; E234-V236 PolarHBondContact O-N 2.82Å
237	Y	98.3	Very high	94.2	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.02	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.2	175.1	-61.3	-74.9	0	0	0	110.4	I74 E75 I76 L208 A209 V210 I235 L261 I263 R269 I271	I74-Y237 HydrophobicContact CG2-CD1 3.81Å; I74-Y237 HydrophobicContact CG2-CG 4.4Å; E75-Y237 CarbonylContact O-C 3.6Å; E75-Y237 WeakPolarHBondContact O-CA 3.42Å; I76-Y237 HydrophobicContact CD1-CE1 4.38Å; I76-Y237 HydrophobicContact CG1-CD1 4.16Å; I76-Y237 HydrophobicContact CG1-CE1 4.02Å; L208-Y237 WeakPolarHBondContact O-CD2 3.25Å; L208-Y237 PolarHBondContact O-N 2.86Å; A209-Y237 CarbonylContact C-O 3.54Å; A209-Y237 WeakPolarHBondContact CA-O 3.11Å; A209-Y237 WeakPolarHBondContact CB-O 3.5Å; V210-Y237 PolarHBondContact N-O 3.16Å; I235-Y237 HydrophobicContact CG2-CE1 4.31Å; I235-Y237 HydrophobicContact CG2-CE2 4.45Å; Y237-L261 HydrophobicContact CG-CD1 4.45Å; Y237-I263 HydrophobicContact CD1-CG2 4.01Å; Y237-I263 HydrophobicContact CE1-CB 4.29Å; Y237-I263 HydrophobicContact CE1-CG2 3.56Å; Y237-I263 HydrophobicContact CE2-CG2 4.44Å; Y237-R269 VanDerWaalsContact OH-CD 3.25Å; Y237-R269 WeakPolarHBondContact OH-CD 3.36Å; Y237-R269 PolarHBondContact OH-NH1 3.18Å; Y237-I271 HydrophobicContact CD2-CD1 3.93Å; Y237-I271 HydrophobicContact CE2-CD1 4.37Å
238	L	97.7	Very high	94.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112	170.9	172	65.8	0	0	0	108.6	I74 E75 I77 V210 Y212 R218 Y222 A225	I74-L238 WeakPolarHBondContact CA-O 3.4Å; E75-L238 HydrophobicContact CB-CB 4.13Å; E75-L238 HydrophobicContact CB-CD2 4.5Å; E75-L238 PolarHBondContact N-O 3.4Å; E75-L238 PolarHBondContact O-N 3.38Å; I77-L238 HydrophobicContact CD1-CB 4.49Å; I77-L238 HydrophobicContact CG1-CB 4.04Å; V210-L238 HydrophobicContact CB-CD1 4.07Å; V210-L238 HydrophobicContact CG1-CD1 4.09Å; Y212-L238 HydrophobicContact CD1-CD1 3.58Å; Y212-L238 HydrophobicContact CD1-CG 4.22Å; Y212-L238 HydrophobicContact CE1-CD1 3.72Å; Y212-L238 HydrophobicContact CE1-CD2 4.47Å; Y212-L238 HydrophobicContact CE1-CG 3.82Å; R218-L238 HydrophobicContact CG-CD2 4.41Å; Y222-L238 HydrophobicContact CD2-CD2 4.09Å; A225-L238 HydrophobicContact CB-CB 4.1Å; A225-L238 HydrophobicContact CB-CD1 4.36Å
239	V	97.3	Very high	94	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.8	-167.3	-174.2	0	0	0	0	110.4	I74 A209 V210 L211 Y212 V241 Y250 L261	I74-V239 HydrophobicContact CG1-CG1 4.16Å; I74-V239 HydrophobicContact CG1-CG2 4.28Å; I74-V239 HydrophobicContact CG2-CG2 4.36Å; A209-V239 HydrophobicContact CB-CG2 4.31Å; V210-V239 PolarHBondContact O-N 2.81Å; L211-V239 WeakPolarHBondContact CA-O 3.39Å; L211-V239 HydrophobicContact CD2-CB 3.62Å; L211-V239 HydrophobicContact CD2-CG1 4.15Å; L211-V239 HydrophobicContact CD2-CG2 3.9Å; Y212-V239 WeakPolarHBondContact CD1-O 3.28Å; Y212-V239 PolarHBondContact N-O 3.17Å; V239-V241 HydrophobicContact CG1-CG1 3.97Å; V239-Y250 HydrophobicContact CG1-CD2 4.43Å; V239-Y250 HydrophobicContact CG1-CE2 4Å; V239-L261 HydrophobicContact CG1-CD2 4.28Å; V239-L261 HydrophobicContact CG2-CD1 3.54Å; V239-L261 HydrophobicContact CG2-CD2 4.25Å
240	N	95.5	Very high	94	Very high	32 Å²	32	57.3 Å²	57.3	17%	0.171	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	118.4	164.8	-173.8	-6.6	0	0	0	108	R73 Y212 G242 Y250	R73-N240 PolarHBondContact O-N 3.18Å; Y212-N240 HydrophobicContact CE1-CB 3.93Å; Y212-N240 HydrophobicContact CE2-CB 3.87Å; Y212-N240 CarbonylContact O-C 3.04Å; Y212-N240 WeakPolarHBondContact O-CA 3.12Å; N240-G242 PolarHBondContact OD1-N 2.64Å; N240-Y250 WeakPolarHBondContact O-CE2 3.47Å; N240-Y250 PolarHBondContact O-OH 3.43Å
241	V	95	Very high	94	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.024	27%	0.268	C	S	.	.			trans	-97.1	1.2	176.7	-58.4	0	0	0	0	113.1	L211 Y212 D213 V239 P248 M251 V278 K285	L211-V241 HydrophobicContact CB-CG1 4.21Å; L211-V241 HydrophobicContact CD1-CG1 4.45Å; L211-V241 HydrophobicContact CD2-CG1 4.21Å; Y212-V241 WeakPolarHBondContact O-CG2 3.25Å; Y212-V241 PolarHBondContact O-N 2.83Å; D213-V241 HydrophobicContact CB-CG2 3.88Å; V239-V241 HydrophobicContact CG1-CG1 3.97Å; V241-P248 HydrophobicContact CB-CG 4.41Å; V241-M251 HydrophobicContact CG1-SD 3.61Å; V241-V278 HydrophobicContact CG2-CG1 4.47Å; V241-V278 HydrophobicContact CG2-CG2 3.85Å; V241-K285 HydrophobicContact CG2-CD 4Å
242	G	90.8	Very high	94	Very high	23 Å²	23	58.7 Å²	58.7	24%	0.237	28%	0.278	C	S	.	.			trans	63.9	172.6	-172.4	0	0	0	0	0	112.6	D213 N240 K285	D213-G242 WeakPolarHBondContact CB-O 3.4Å; D213-G242 CarbonylContact O-C 3.57Å; N240-G242 PolarHBondContact OD1-N 2.64Å; G242-K285 PolarHBondContact O-NZ 2.88Å
243	F	86.1	Confident	94	Very high	96 Å²	96	59.7 Å²	59.7	42%	0.421	28%	0.279	S	S	.	.	S	Bend	trans	-101.6	-4.5	179.2	60.6	-98.3	0	0	0	114	F65 D213 R280 K285	F65-F243 HydrophobicContact CZ-CE1 4.36Å; D213-F243 PolarHBondContact O-N 2.69Å; F243-R280 HydrophobicContact CB-CB 4.48Å; F243-R280 HydrophobicContact CB-CG 4.23Å; F243-K285 VanDerWaalsContact C-NZ 3.35Å
244	E	86.6	Confident	93.8	Very high	138 Å²	138	53.5 Å²	53.5	65%	0.645	26%	0.255	S	S	*	.	S	Bend	trans	-62.4	159.5	175.7	-63.1	-176.5	-175	0	0	111.9	K285	E244-K285 WeakPolarHBondContact O-CE 3.47Å; E244-K285 PolarHBondContact O-NZ 2.93Å
245	E	85.1	Confident	93.5	Very high	105 Å²	105	56.6 Å²	56.6	49%	0.491	28%	0.28	S	S	.	.	S	Bend	trans	-71.9	-31	-178.8	-63.2	-169.7	160.5	0	0	112.5	K281 L284	E245-K281 IonicContact OE1-NZ 2.79Å; E245-K281 PolarHBondContact OE1-NZ 3.19Å; E245-L284 HydrophobicContact CB-CD1 3.91Å; E245-L284 HydrophobicContact CG-CD1 3.6Å
246	R	88	Confident	92.9	Very high	211 Å²	211	56.5 Å²	56.5	80%	0.796	28%	0.281	S	S	*	.	S	Bend	trans	-77.4	145.3	177.6	-65.3	-178.2	-177.2	179.7	0.8	110.7
247	L	91.9	Very high	92.6	Very high	59 Å²	59	56.6 Å²	56.6	31%	0.309	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-64.7	143.3	169.2	-74.4	170.1	0	0	0	110.3	M251 K285	L247-M251 HydrophobicContact CD2-CE 4.31Å; L247-M251 HydrophobicContact CD2-SD 4.1Å; L247-K285 HydrophobicContact CD2-CB 4.04Å; L247-K285 HydrophobicContact CD2-CG 4.18Å
248	P	93.9	Very high	92.4	Very high	16 Å²	16	56.8 Å²	56.8	10%	0.104	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-66.7	153.7	173.2	30.8	-35.8	0	0	0	110.7	V241 Y250 M251	V241-P248 HydrophobicContact CB-CG 4.41Å; P248-Y250 HydrophobicContact CB-CD1 4.06Å; P248-Y250 HydrophobicContact CB-CD2 4.22Å; P248-Y250 HydrophobicContact CB-CE1 3.49Å; P248-Y250 VanDerWaalsContact CB-CE1 3.49Å; P248-Y250 HydrophobicContact CB-CE2 3.67Å; P248-Y250 HydrophobicContact CB-CG 4.39Å; P248-Y250 WeakPolarHBondContact CB-OH 3.28Å; P248-Y250 HydrophobicContact CG-CD2 4.07Å; P248-Y250 HydrophobicContact CG-CE1 4.29Å; P248-Y250 HydrophobicContact CG-CE2 3.5Å; P248-Y250 VanDerWaalsContact CG-CE2 3.5Å; P248-Y250 PolarHBondContact O-N 2.83Å; P248-Y250 VanDerWaalsContact O-N 3.08Å; P248-M251 HydrophobicContact CG-CB 3.9Å; P248-M251 PolarHBondContact O-N 3.28Å
249	P	94.4	Very high	92.4	Very high	101 Å²	101	56.8 Å²	56.8	66%	0.656	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.8	-173.3	24.9	-34.9	0	0	0	114.4	M251 W268	P249-M251 VanDerWaalsContact C-N 3.35Å; P249-W268 VanDerWaalsContact O-CH2 3.31Å; P249-W268 WeakPolarHBondContact O-CH2 3.31Å
250	Y	95.6	Very high	92.5	Very high	24 Å²	24	58.3 Å²	58.3	9%	0.094	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.8	178.1	50	-96.5	0	0	0	113.5	R73 I74 V239 N240 P248 L261 E262	R73-Y250 HydrophobicContact CB-CD1 4.25Å; R73-Y250 HydrophobicContact CB-CE1 3.76Å; R73-Y250 HydrophobicContact CB-CE2 4.24Å; R73-Y250 HydrophobicContact CG-CE1 3.84Å; I74-Y250 HydrophobicContact CD1-CD2 4.07Å; I74-Y250 HydrophobicContact CG1-CD2 4.15Å; V239-Y250 HydrophobicContact CG1-CD2 4.43Å; V239-Y250 HydrophobicContact CG1-CE2 4Å; N240-Y250 WeakPolarHBondContact O-CE2 3.47Å; N240-Y250 PolarHBondContact O-OH 3.43Å; P248-Y250 HydrophobicContact CB-CD1 4.06Å; P248-Y250 HydrophobicContact CB-CD2 4.22Å; P248-Y250 HydrophobicContact CB-CE1 3.49Å; P248-Y250 VanDerWaalsContact CB-CE1 3.49Å; P248-Y250 HydrophobicContact CB-CE2 3.67Å; P248-Y250 HydrophobicContact CB-CG 4.39Å; P248-Y250 WeakPolarHBondContact CB-OH 3.28Å; P248-Y250 HydrophobicContact CG-CD2 4.07Å; P248-Y250 HydrophobicContact CG-CE1 4.29Å; P248-Y250 HydrophobicContact CG-CE2 3.5Å; P248-Y250 VanDerWaalsContact CG-CE2 3.5Å; P248-Y250 PolarHBondContact O-N 2.83Å; P248-Y250 VanDerWaalsContact O-N 3.08Å; Y250-L261 CarbonylContact O-C 3.24Å; Y250-L261 WeakPolarHBondContact O-CA 3.24Å; Y250-E262 PolarHBondContact O-N 3.21Å
251	M	96.7	Very high	92.6	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.1	175.5	-178.2	-178.2	171.2	0	0	109.7	L211 V241 L247 P248 P249 W253 Q260 L261 L286	L211-M251 HydrophobicContact CD1-CE 3.75Å; L211-M251 HydrophobicContact CD1-SD 4.34Å; V241-M251 HydrophobicContact CG1-SD 3.61Å; L247-M251 HydrophobicContact CD2-CE 4.31Å; L247-M251 HydrophobicContact CD2-SD 4.1Å; P248-M251 HydrophobicContact CG-CB 3.9Å; P248-M251 PolarHBondContact O-N 3.28Å; P249-M251 VanDerWaalsContact C-N 3.35Å; M251-W253 HydrophobicContact CE-CZ2 3.8Å; M251-Q260 WeakPolarHBondContact CA-O 3.41Å; M251-L261 HydrophobicContact CB-CD2 3.93Å; M251-L261 HydrophobicContact CG-CD2 3.83Å; M251-L286 HydrophobicContact CE-CD2 4.3Å
252	R	95.7	Very high	92.7	Very high	109 Å²	109	59.2 Å²	59.2	41%	0.411	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.3	173.2	70.5	-170.6	-173.1	-167	-1.5	111.4	Q260 W268	R252-Q260 HydrophobicContact CG-CB 4.01Å; R252-Q260 VanDerWaalsContact CZ-OE1 3.31Å; R252-Q260 PolarHBondContact N-O 3.21Å; R252-Q260 PolarHBondContact O-N 2.8Å; R252-W268 HydrophobicContact CB-CH2 4.41Å; R252-W268 HydrophobicContact CB-CZ3 4.23Å; R252-W268 HydrophobicContact CG-CE3 4.07Å; R252-W268 HydrophobicContact CG-CH2 3.99Å; R252-W268 HydrophobicContact CG-CZ3 3.55Å
253	W	95.2	Very high	92.9	Very high	48 Å²	48	59.7 Å²	59.7	18%	0.182	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.7	168.9	-65.7	96.5	0	0	0	108.8	M251 V258 C259 L274 K285 L286 P287 S290 I294	M251-W253 HydrophobicContact CE-CZ2 3.8Å; W253-V258 WeakPolarHBondContact CA-O 3.43Å; W253-C259 HydrophobicContact CD2-CB 4.45Å; W253-C259 HydrophobicContact CE3-CB 3.96Å; W253-C259 HydrophobicContact CH2-CB 3.7Å; W253-C259 HydrophobicContact CZ2-CB 4.18Å; W253-C259 HydrophobicContact CZ3-CB 3.58Å; W253-L274 HydrophobicContact CH2-CD1 3.69Å; W253-L274 HydrophobicContact CZ2-CD1 4.25Å; W253-K285 PolarHBondContact NE1-O 2.78Å; W253-L286 HydrophobicContact CZ2-CD2 3.76Å; W253-P287 VanDerWaalsContact CD2-CD 3.5Å; W253-P287 HydrophobicContact CD2-CG 3.71Å; W253-P287 HydrophobicContact CE3-CG 3.65Å; W253-P287 HydrophobicContact CG-CG 4.32Å; W253-P287 HydrophobicContact CH2-CG 4.04Å; W253-P287 HydrophobicContact CZ2-CG 4.13Å; W253-P287 HydrophobicContact CZ3-CG 3.79Å; W253-S290 WeakPolarHBondContact CZ3-OG 3.27Å; W253-I294 HydrophobicContact CH2-CD1 3.83Å
254	S	93.6	Very high	93.1	Very high	17 Å²	17	61 Å²	61	12%	0.119	30%	0.295	C	S	.	.			trans	-64.2	159.3	166.9	66.5	0	0	0	0	110.1	D256 G257 V258	S254-D256 VanDerWaalsContact CB-OD1 3.25Å; S254-D256 WeakPolarHBondContact CB-OD1 3.49Å; S254-D256 PolarHBondContact O-N 2.84Å; S254-D256 VanDerWaalsContact O-N 3.09Å; S254-D256 PolarHBondContact OG-OD1 2.7Å; S254-G257 PolarHBondContact O-N 2.99Å; S254-G257 PolarHBondContact OG-N 3.12Å; S254-V258 PolarHBondContact N-O 2.8Å; S254-V258 WeakPolarHBondContact OG-CA 3.25Å; S254-V258 VanDerWaalsContact OG-CB 3.31Å; S254-V258 WeakPolarHBondContact OG-CB 3.47Å; S254-V258 PolarHBondContact OG-N 3.37Å; S254-V258 PolarHBondContact OG-O 3.31Å
255	P	89.2	Confident	93.4	Very high	131 Å²	131	60.7 Å²	60.7	85%	0.851	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.2	177.2	-28.1	36.1	0	0	0	114.1
256	D	86.2	Confident	93.7	Very high	62 Å²	62	58.6 Å²	58.6	33%	0.332	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	1.7	179.7	69.7	-38	0	0	0	114.4	S254 K291 R555	S254-D256 VanDerWaalsContact CB-OD1 3.25Å; S254-D256 WeakPolarHBondContact CB-OD1 3.49Å; S254-D256 PolarHBondContact O-N 2.84Å; S254-D256 VanDerWaalsContact O-N 3.09Å; S254-D256 PolarHBondContact OG-OD1 2.7Å; D256-K291 HydrophobicContact CB-CD 4.18Å; D256-K291 WeakPolarHBondContact O-CD 3.5Å; D256-K291 WeakPolarHBondContact O-CG 3.43Å; D256-K291 WeakPolarHBondContact OD2-CD 3.33Å; D256-K291 WeakPolarHBondContact OD2-CE 3.03Å; D256-K291 IonicContact OD2-NZ 3.58Å; D256-K291 PolarHBondContact OD2-NZ 3.12Å; D256-R555 PolarHBondContact O-NH1 2.84Å; D256-R555 VanDerWaalsContact O-NH1 3.09Å
257	G	91.7	Very high	94.1	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.021	29%	0.294	C	S	.	.	S	Bend	trans	87.5	33.5	173.6	0	0	0	0	0	114.7	S254 S290 K291 T292	S254-G257 PolarHBondContact O-N 2.99Å; S254-G257 PolarHBondContact OG-N 3.12Å; G257-S290 PolarHBondContact O-OG 3.2Å; G257-K291 PolarHBondContact O-N 2.73Å; G257-T292 PolarHBondContact O-N 2.66Å
258	V	95.2	Very high	94.3	Very high	8 Å²	8	53.5 Å²	53.5	5%	0.048	29%	0.293	C	S	.	.			trans	-96.4	128	168	-175.4	0	0	0	0	108.9	P204 W253 S254 D270 K291 T292	P204-V258 HydrophobicContact CB-CG1 4.38Å; P204-V258 HydrophobicContact CB-CG2 4.21Å; P204-V258 HydrophobicContact CG-CG1 4.11Å; P204-V258 HydrophobicContact CG-CG2 4.13Å; W253-V258 WeakPolarHBondContact CA-O 3.43Å; S254-V258 PolarHBondContact N-O 2.8Å; S254-V258 WeakPolarHBondContact OG-CA 3.25Å; S254-V258 VanDerWaalsContact OG-CB 3.31Å; S254-V258 WeakPolarHBondContact OG-CB 3.47Å; S254-V258 PolarHBondContact OG-N 3.37Å; S254-V258 PolarHBondContact OG-O 3.31Å; V258-D270 HydrophobicContact CG1-CB 4.08Å; V258-K291 HydrophobicContact CG2-CB 3.95Å; V258-K291 HydrophobicContact CG2-CD 4.26Å; V258-T292 WeakPolarHBondContact CA-OG1 2.88Å
259	C	97.2	Very high	94.5	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.9	173.2	178.7	0	0	0	0	109.8	W253 I271 L274 T292	W253-C259 HydrophobicContact CD2-CB 4.45Å; W253-C259 HydrophobicContact CE3-CB 3.96Å; W253-C259 HydrophobicContact CH2-CB 3.7Å; W253-C259 HydrophobicContact CZ2-CB 4.18Å; W253-C259 HydrophobicContact CZ3-CB 3.58Å; C259-I271 HydrophobicContact CB-CB 4.17Å; C259-I271 PolarHBondContact O-N 2.77Å; C259-L274 HydrophobicContact CB-CD1 3.85Å; C259-T292 HydrophobicContact CB-CG2 4.19Å; C259-T292 PolarHBondContact N-OG1 3.26Å
260	Q	98	Very high	94.6	Very high	32 Å²	32	55 Å²	55	15%	0.15	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.1	174.8	-49.6	-171.1	-56.7	0	0	109.6	M251 R252 W268 R269 D270	M251-Q260 WeakPolarHBondContact CA-O 3.41Å; R252-Q260 HydrophobicContact CG-CB 4.01Å; R252-Q260 VanDerWaalsContact CZ-OE1 3.31Å; R252-Q260 PolarHBondContact N-O 3.21Å; R252-Q260 PolarHBondContact O-N 2.8Å; Q260-W268 HydrophobicContact CB-CE3 3.8Å; Q260-W268 HydrophobicContact CB-CZ3 4.38Å; Q260-W268 WeakPolarHBondContact O-CZ3 3.47Å; Q260-R269 WeakPolarHBondContact CA-O 2.97Å; Q260-D270 WeakPolarHBondContact CG-OD1 3.18Å; Q260-D270 PolarHBondContact NE2-OD1 3.49Å
261	L	97.9	Very high	94.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.3	177.1	-62.6	177.9	0	0	0	110.6	I74 A209 Y237 V239 Y250 M251 I263 W268 R269 I271	I74-L261 HydrophobicContact CD1-CB 4.28Å; A209-L261 HydrophobicContact CB-CD1 4.04Å; Y237-L261 HydrophobicContact CG-CD1 4.45Å; V239-L261 HydrophobicContact CG1-CD2 4.28Å; V239-L261 HydrophobicContact CG2-CD1 3.54Å; V239-L261 HydrophobicContact CG2-CD2 4.25Å; Y250-L261 CarbonylContact O-C 3.24Å; Y250-L261 WeakPolarHBondContact O-CA 3.24Å; M251-L261 HydrophobicContact CB-CD2 3.93Å; M251-L261 HydrophobicContact CG-CD2 3.83Å; L261-I263 HydrophobicContact CB-CG2 4.3Å; L261-I263 PolarHBondContact O-N 2.91Å; L261-W268 CarbonylContact O-C 3.24Å; L261-W268 WeakPolarHBondContact O-CA 3.36Å; L261-R269 PolarHBondContact N-O 3.12Å; L261-R269 PolarHBondContact O-N 3.37Å; L261-I271 HydrophobicContact CB-CG1 4.49Å; L261-I271 HydrophobicContact CD1-CD1 3.71Å; L261-I271 HydrophobicContact CD1-CG1 3.7Å; L261-I271 HydrophobicContact CG-CD1 4.17Å; L261-I271 HydrophobicContact CG-CG1 3.75Å
262	E	97.2	Very high	94.7	Very high	56 Å²	56	55.4 Å²	55.4	26%	0.262	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	89.9	170.4	-170.9	175.1	-143.4	0	0	109	I74 Y250 K264 G266 E267 W268	I74-E262 WeakPolarHBondContact CD1-O 3.36Å; Y250-E262 PolarHBondContact O-N 3.21Å; E262-K264 VanDerWaalsContact C-N 3.29Å; E262-K264 WeakPolarHBondContact CG-O 3.38Å; E262-K264 PolarHBondContact O-N 3.14Å; E262-G266 PolarHBondContact OE1-N 2.95Å; E262-E267 CarbonylContact C-O 3.57Å; E262-E267 WeakPolarHBondContact CA-O 3.44Å; E262-W268 HydrophobicContact CB-CD2 3.95Å; E262-W268 HydrophobicContact CB-CE3 4.04Å; E262-W268 HydrophobicContact CB-CH2 3.94Å; E262-W268 HydrophobicContact CB-CZ2 3.82Å; E262-W268 HydrophobicContact CB-CZ3 4.02Å; E262-W268 HydrophobicContact CG-CZ2 4.32Å
263	I	94.6	Very high	94.8	Very high	32 Å²	32	50.2 Å²	50.2	16%	0.164	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-25	-174.8	56.7	170.2	0	0	0	112.3	Y237 L261 E267 R269	Y237-I263 HydrophobicContact CD1-CG2 4.01Å; Y237-I263 HydrophobicContact CE1-CB 4.29Å; Y237-I263 HydrophobicContact CE1-CG2 3.56Å; Y237-I263 HydrophobicContact CE2-CG2 4.44Å; L261-I263 HydrophobicContact CB-CG2 4.3Å; L261-I263 PolarHBondContact O-N 2.91Å; I263-E267 HydrophobicContact CD1-CG 4.15Å; I263-E267 WeakPolarHBondContact CD1-OE1 3.39Å; I263-E267 HydrophobicContact CG1-CB 4.25Å; I263-E267 HydrophobicContact CG1-CG 3.99Å; I263-E267 WeakPolarHBondContact CG1-O 3.29Å; I263-E267 PolarHBondContact N-O 2.9Å; I263-R269 HydrophobicContact CD1-CB 4.11Å; I263-R269 HydrophobicContact CG1-CB 4.39Å; I263-R269 HydrophobicContact CG2-CB 4.15Å
264	K	91.4	Very high	94.9	Very high	124 Å²	124	48 Å²	48	54%	0.539	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.1	167.7	-59.5	-176.3	-161.7	140.1	0	107.8	E262 G266 E267	E262-K264 VanDerWaalsContact C-N 3.29Å; E262-K264 WeakPolarHBondContact CG-O 3.38Å; E262-K264 PolarHBondContact O-N 3.14Å; K264-G266 PolarHBondContact O-N 3.06Å; K264-E267 HydrophobicContact CB-CB 4.03Å; K264-E267 WeakPolarHBondContact CD-OE2 3.29Å; K264-E267 IonicContact NZ-OE2 2.64Å; K264-E267 PolarHBondContact NZ-OE2 2.9Å; K264-E267 PolarHBondContact O-N 2.92Å
265	P	92	Very high	95.1	Very high	131 Å²	131	47.2 Å²	47.2	85%	0.851	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	117.7	178.2	-27.9	35.6	0	0	0	112.2	E267	P265-E267 VanDerWaalsContact C-N 3.3Å; P265-E267 PolarHBondContact O-N 2.87Å
266	G	92.9	Very high	95.3	Very high	62 Å²	62	41.2 Å²	41.2	64%	0.639	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-14.5	-176.7	0	0	0	0	0	116.2	E262 K264 W268	E262-G266 PolarHBondContact OE1-N 2.95Å; K264-G266 PolarHBondContact O-N 3.06Å; G266-W268 PolarHBondContact O-N 3.4Å
267	E	95.3	Very high	95.8	Very high	88 Å²	88	38.5 Å²	38.5	41%	0.411	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	95.1	-178.9	-167.2	-177.7	164.1	0	0	110.2	E262 I263 K264 P265	E262-E267 CarbonylContact C-O 3.57Å; E262-E267 WeakPolarHBondContact CA-O 3.44Å; I263-E267 HydrophobicContact CD1-CG 4.15Å; I263-E267 WeakPolarHBondContact CD1-OE1 3.39Å; I263-E267 HydrophobicContact CG1-CB 4.25Å; I263-E267 HydrophobicContact CG1-CG 3.99Å; I263-E267 WeakPolarHBondContact CG1-O 3.29Å; I263-E267 PolarHBondContact N-O 2.9Å; K264-E267 HydrophobicContact CB-CB 4.03Å; K264-E267 WeakPolarHBondContact CD-OE2 3.29Å; K264-E267 IonicContact NZ-OE2 2.64Å; K264-E267 PolarHBondContact NZ-OE2 2.9Å; K264-E267 PolarHBondContact O-N 2.92Å; P265-E267 VanDerWaalsContact C-N 3.3Å; P265-E267 PolarHBondContact O-N 2.87Å
268	W	96.8	Very high	95.9	Very high	74 Å²	74	38.5 Å²	38.5	28%	0.28	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.4	176.8	-69.2	82.9	0	0	0	111.2	P249 R252 Q260 L261 E262 G266	P249-W268 VanDerWaalsContact O-CH2 3.31Å; P249-W268 WeakPolarHBondContact O-CH2 3.31Å; R252-W268 HydrophobicContact CB-CH2 4.41Å; R252-W268 HydrophobicContact CB-CZ3 4.23Å; R252-W268 HydrophobicContact CG-CE3 4.07Å; R252-W268 HydrophobicContact CG-CH2 3.99Å; R252-W268 HydrophobicContact CG-CZ3 3.55Å; Q260-W268 HydrophobicContact CB-CE3 3.8Å; Q260-W268 HydrophobicContact CB-CZ3 4.38Å; Q260-W268 WeakPolarHBondContact O-CZ3 3.47Å; L261-W268 CarbonylContact O-C 3.24Å; L261-W268 WeakPolarHBondContact O-CA 3.36Å; E262-W268 HydrophobicContact CB-CD2 3.95Å; E262-W268 HydrophobicContact CB-CE3 4.04Å; E262-W268 HydrophobicContact CB-CH2 3.94Å; E262-W268 HydrophobicContact CB-CZ2 3.82Å; E262-W268 HydrophobicContact CB-CZ3 4.02Å; E262-W268 HydrophobicContact CG-CZ2 4.32Å; G266-W268 PolarHBondContact O-N 3.4Å
269	R	97.1	Very high	95.6	Very high	90 Å²	90	38.2 Å²	38.2	34%	0.34	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.7	176.6	-174	167.9	179.9	161.5	4.3	110.6	Y237 Q260 L261 I263	Y237-R269 VanDerWaalsContact OH-CD 3.25Å; Y237-R269 WeakPolarHBondContact OH-CD 3.36Å; Y237-R269 PolarHBondContact OH-NH1 3.18Å; Q260-R269 WeakPolarHBondContact CA-O 2.97Å; L261-R269 PolarHBondContact N-O 3.12Å; L261-R269 PolarHBondContact O-N 3.37Å; I263-R269 HydrophobicContact CD1-CB 4.11Å; I263-R269 HydrophobicContact CG1-CB 4.39Å; I263-R269 HydrophobicContact CG2-CB 4.15Å
270	D	97.8	Very high	95.3	Very high	60 Å²	60	40.2 Å²	40.2	32%	0.321	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	145.1	172.2	-69.8	-7.5	0	0	0	110.6	A205 G206 G207 V258 Q260	A205-D270 WeakPolarHBondContact O-CB 3.5Å; G206-D270 CarbonylContact C-O 3.53Å; G206-D270 WeakPolarHBondContact CA-O 3.28Å; G207-D270 PolarHBondContact N-O 2.85Å; V258-D270 HydrophobicContact CG1-CB 4.08Å; Q260-D270 WeakPolarHBondContact CG-OD1 3.18Å; Q260-D270 PolarHBondContact NE2-OD1 3.49Å
271	I	97.9	Very high	94.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.9	178.5	-54	-61.1	0	0	0	109.1	G207 A209 Y237 C259 L261 A273 L274 T292	G207-I271 WeakPolarHBondContact O-CA 3.38Å; G207-I271 WeakPolarHBondContact O-CG2 3.37Å; A209-I271 HydrophobicContact CB-CD1 4.42Å; A209-I271 HydrophobicContact CB-CG2 4.01Å; Y237-I271 HydrophobicContact CD2-CD1 3.93Å; Y237-I271 HydrophobicContact CE2-CD1 4.37Å; C259-I271 HydrophobicContact CB-CB 4.17Å; C259-I271 PolarHBondContact O-N 2.77Å; L261-I271 HydrophobicContact CB-CG1 4.49Å; L261-I271 HydrophobicContact CD1-CD1 3.71Å; L261-I271 HydrophobicContact CD1-CG1 3.7Å; L261-I271 HydrophobicContact CG-CD1 4.17Å; L261-I271 HydrophobicContact CG-CG1 3.75Å; I271-A273 VanDerWaalsContact CG2-O 3.31Å; I271-A273 WeakPolarHBondContact CG2-O 3.07Å; I271-L274 HydrophobicContact CB-CD2 4.3Å; I271-L274 HydrophobicContact CG2-CD2 3.42Å; I271-L274 VanDerWaalsContact CG2-CD2 3.42Å; I271-L274 HydrophobicContact CG2-CG 3.92Å; I271-T292 WeakPolarHBondContact O-CB 3.46Å; I271-T292 WeakPolarHBondContact O-CG2 3.36Å; I271-T292 PolarHBondContact O-OG1 2.88Å
272	R	96.6	Very high	94.7	Very high	38 Å²	38	41.6 Å²	41.6	14%	0.143	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-30.1	-176.2	73.9	-176.3	-170.3	-85.9	-2.9	113.2	L203 P204 G206 G207 L208 E234 M293	L203-R272 HydrophobicContact CB-CB 4.43Å; P204-R272 HydrophobicContact CG-CB 4.37Å; P204-R272 WeakPolarHBondContact O-CB 3.33Å; G206-R272 WeakPolarHBondContact O-CD 3.18Å; G206-R272 PolarHBondContact O-NH1 2.78Å; G207-R272 WeakPolarHBondContact O-CG 3.43Å; G207-R272 PolarHBondContact O-N 3.11Å; L208-R272 HydrophobicContact CD2-CG 4.23Å; E234-R272 IonicContact OE1-CZ 2.95Å; E234-R272 IonicContact OE1-NH2 3.33Å; E234-R272 PolarHBondContact OE1-NH2 3.02Å; E234-R272 IonicContact OE2-CZ 3.3Å; E234-R272 IonicContact OE2-NH1 3.01Å; E234-R272 PolarHBondContact OE2-NH1 2.96Å; E234-R272 IonicContact OE2-NH2 3.47Å; E234-R272 PolarHBondContact OE2-NH2 3.16Å; R272-M293 PolarHBondContact O-N 3.07Å
273	A	97.3	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.8	176.7	0	0	0	0	0	112.8	F192 L196 L208 A209 I271 M293	F192-A273 HydrophobicContact CE1-CB 4.37Å; F192-A273 HydrophobicContact CZ-CB 3.77Å; L196-A273 HydrophobicContact CD1-CB 3.78Å; L208-A273 HydrophobicContact CD2-CB 3.78Å; A209-A273 PolarHBondContact N-O 3.13Å; A209-A273 VanDerWaalsContact N-O 3.16Å; I271-A273 VanDerWaalsContact CG2-O 3.31Å; I271-A273 WeakPolarHBondContact CG2-O 3.07Å; A273-M293 CarbonylContact C-O 3.44Å; A273-M293 VanDerWaalsContact CA-O 3.24Å; A273-M293 WeakPolarHBondContact CA-O 3.38Å; A273-M293 HydrophobicContact CB-CB 3.95Å; A273-M293 HydrophobicContact CB-CG 4.36Å; A273-M293 HydrophobicContact CB-SD 4.03Å
274	L	96.5	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.4	-174.4	-66.7	170.7	0	0	0	110.9	A209 L211 W253 C259 I271 T292 M293 I294 V295	A209-L274 HydrophobicContact CB-CD2 3.67Å; A209-L274 CarbonylContact O-C 3.6Å; A209-L274 WeakPolarHBondContact O-CA 3.4Å; L211-L274 HydrophobicContact CD1-CD1 4.06Å; L211-L274 HydrophobicContact CD1-CD2 4.11Å; L211-L274 HydrophobicContact CD2-CD2 4.02Å; L211-L274 HydrophobicContact CG-CD2 3.99Å; W253-L274 HydrophobicContact CH2-CD1 3.69Å; W253-L274 HydrophobicContact CZ2-CD1 4.25Å; C259-L274 HydrophobicContact CB-CD1 3.85Å; I271-L274 HydrophobicContact CB-CD2 4.3Å; I271-L274 HydrophobicContact CG2-CD2 3.42Å; I271-L274 VanDerWaalsContact CG2-CD2 3.42Å; I271-L274 HydrophobicContact CG2-CG 3.92Å; L274-T292 HydrophobicContact CB-CG2 4.35Å; L274-T292 HydrophobicContact CD1-CG2 3.52Å; L274-T292 HydrophobicContact CG-CG2 3.53Å; L274-M293 PolarHBondContact N-O 2.91Å; L274-I294 HydrophobicContact CB-CG1 4.38Å; L274-I294 HydrophobicContact CD1-CG1 4.19Å; L274-V295 PolarHBondContact O-N 2.9Å; L274-V295 VanDerWaalsContact O-N 3.16Å
275	F	97.2	Very high	94.6	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.5	161.2	-169.8	-85.2	0	0	0	108.6	W142 V187 M188 F192 A209 V210 L211 Y224 Y277	W142-F275 HydrophobicContact CD2-CZ 4.39Å; W142-F275 HydrophobicContact CE3-CE1 4.35Å; W142-F275 HydrophobicContact CE3-CE2 4.4Å; W142-F275 AromaticContact CE3-CZ 3.67Å; W142-F275 HydrophobicContact CE3-CZ 3.67Å; W142-F275 HydrophobicContact CH2-CE1 4.07Å; W142-F275 AromaticContact CH2-CZ 3.82Å; W142-F275 HydrophobicContact CH2-CZ 3.82Å; W142-F275 AromaticContact CZ3-CE1 3.62Å; W142-F275 HydrophobicContact CZ3-CE1 3.62Å; W142-F275 HydrophobicContact CZ3-CE2 4.42Å; W142-F275 AromaticContact CZ3-CZ 3.33Å; W142-F275 HydrophobicContact CZ3-CZ 3.33Å; V187-F275 HydrophobicContact CG1-CE2 3.71Å; V187-F275 HydrophobicContact CG1-CZ 3.96Å; M188-F275 HydrophobicContact CE-CB 4.34Å; M188-F275 HydrophobicContact CE-CD1 4.39Å; M188-F275 HydrophobicContact CE-CD2 3.35Å; M188-F275 HydrophobicContact CE-CE2 3.63Å; M188-F275 HydrophobicContact CE-CG 3.77Å; M188-F275 HydrophobicContact CE-CZ 4.24Å; M188-F275 HydrophobicContact SD-CD2 4.02Å; M188-F275 HydrophobicContact SD-CE2 4.36Å; F192-F275 HydrophobicContact CD2-CB 4.19Å; F192-F275 AromaticContact CD2-CD2 3.79Å; F192-F275 HydrophobicContact CD2-CD2 3.79Å; F192-F275 HydrophobicContact CE2-CB 3.94Å; F192-F275 HydrophobicContact CE2-CD2 4.39Å; A209-F275 PolarHBondContact O-N 3.28Å; V210-F275 WeakPolarHBondContact CA-O 3.5Å; V210-F275 HydrophobicContact CB-CB 4.47Å; V210-F275 HydrophobicContact CG1-CB 4.37Å; V210-F275 HydrophobicContact CG1-CD1 4.06Å; V210-F275 HydrophobicContact CG2-CB 3.97Å; L211-F275 PolarHBondContact N-O 2.67Å; Y224-F275 HydrophobicContact CD1-CE1 4.08Å; Y224-F275 HydrophobicContact CD1-CE2 4.24Å; Y224-F275 AromaticContact CD1-CZ 3.76Å; Y224-F275 HydrophobicContact CD1-CZ 3.76Å; Y224-F275 HydrophobicContact CD2-CD1 4.29Å; Y224-F275 AromaticContact CD2-CE1 3.53Å; Y224-F275 HydrophobicContact CD2-CE1 3.53Å; Y224-F275 AromaticContact CD2-CZ 3.96Å; Y224-F275 HydrophobicContact CD2-CZ 3.96Å; Y224-F275 HydrophobicContact CE1-CE1 4.4Å; Y224-F275 HydrophobicContact CE1-CE2 4.5Å; Y224-F275 AromaticContact CE1-CZ 3.84Å; Y224-F275 HydrophobicContact CE1-CZ 3.84Å; Y224-F275 AromaticContact CE2-CE1 3.87Å; Y224-F275 HydrophobicContact CE2-CE1 3.87Å; Y224-F275 HydrophobicContact CE2-CZ 4.02Å; Y224-F275 HydrophobicContact CG-CD1 4.2Å; Y224-F275 AromaticContact CG-CE1 3.65Å; Y224-F275 HydrophobicContact CG-CE1 3.65Å; Y224-F275 AromaticContact CG-CZ 3.84Å; Y224-F275 HydrophobicContact CG-CZ 3.84Å; Y224-F275 AromaticContact CZ-CZ 3.98Å; F275-Y277 HydrophobicContact CE1-CD2 4.33Å
276	R	95.2	Very high	94.7	Very high	6 Å²	6	26.4 Å²	26.4	2%	0.023	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.5	-174.3	179.7	-167.9	163.7	-150.4	-25.7	111.4	C167 V278 P282 L286 I294 N296 C301	C167-R276 PolarHBondContact SG-O 2.88Å; R276-V278 HydrophobicContact CG-CB 4.17Å; R276-V278 HydrophobicContact CG-CG2 4.36Å; R276-V278 PolarHBondContact NE-O 3.06Å; R276-V278 PolarHBondContact NH2-O 3.41Å; R276-P282 VanDerWaalsContact CZ-CB 3.41Å; R276-L286 HydrophobicContact CG-CD1 3.55Å; R276-I294 HydrophobicContact CB-CG2 3.91Å; R276-N296 WeakPolarHBondContact CD-O 3.46Å; R276-N296 PolarHBondContact NH1-O 3.23Å; R276-C301 PolarHBondContact NH1-SG 3.36Å; R276-C301 PolarHBondContact NH2-SG 3.28Å
277	Y	94.9	Very high	94.7	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.02	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	35.6	165	-148.3	-97.3	0	0	0	111.9	W142 C167 P168 S169 L211 Q217 E220 S221 Y224 F275 T279	W142-Y277 AromaticContact CH2-CD2 3.74Å; W142-Y277 HydrophobicContact CH2-CD2 3.74Å; W142-Y277 AromaticContact CH2-CE2 3.5Å; W142-Y277 HydrophobicContact CH2-CE2 3.5Å; W142-Y277 HydrophobicContact CZ2-CE2 4.47Å; W142-Y277 AromaticContact CZ3-CD2 3.97Å; W142-Y277 HydrophobicContact CZ3-CD2 3.97Å; W142-Y277 HydrophobicContact CZ3-CE2 4.13Å; C167-Y277 HydrophobicContact CB-CD2 4.45Å; P168-Y277 WeakPolarHBondContact O-CE2 3.18Å; P168-Y277 PolarHBondContact O-OH 3.19Å; S169-Y277 WeakPolarHBondContact CA-OH 3.17Å; S169-Y277 WeakPolarHBondContact CB-OH 3.35Å; S169-Y277 PolarHBondContact N-OH 2.83Å; L211-Y277 CarbonylContact O-C 3.55Å; L211-Y277 VanDerWaalsContact O-C 3.26Å; L211-Y277 WeakPolarHBondContact O-CA 3.44Å; L211-Y277 WeakPolarHBondContact O-CB 3.37Å; L211-Y277 PolarHBondContact O-N 3.17Å; Q217-Y277 HydrophobicContact CB-CD1 3.81Å; Q217-Y277 HydrophobicContact CB-CE1 3.63Å; Q217-Y277 HydrophobicContact CG-CD1 4.21Å; Q217-Y277 HydrophobicContact CG-CE1 3.71Å; Q217-Y277 PolarHBondContact OE1-O 3.4Å; E220-Y277 HydrophobicContact CG-CE2 4.19Å; S221-Y277 WeakPolarHBondContact OG-CD1 3.49Å; Y224-Y277 HydrophobicContact CE2-CD2 4.29Å; Y224-Y277 HydrophobicContact CE2-CE2 4.25Å; F275-Y277 HydrophobicContact CE1-CD2 4.33Å; Y277-T279 HydrophobicContact CD1-CG2 4.43Å; Y277-T279 HydrophobicContact CE1-CG2 4.43Å
278	V	93.9	Very high	94.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	9%	0.087	C	C	.	.			trans	-90.1	115.8	176.2	-177.9	0	0	0	0	109.4	L211 D213 V241 R276 P282 K285 L286	L211-V278 HydrophobicContact CB-CG2 3.79Å; D213-V278 HydrophobicContact CB-CG1 4.22Å; V241-V278 HydrophobicContact CG2-CG1 4.47Å; V241-V278 HydrophobicContact CG2-CG2 3.85Å; R276-V278 HydrophobicContact CG-CB 4.17Å; R276-V278 HydrophobicContact CG-CG2 4.36Å; R276-V278 PolarHBondContact NE-O 3.06Å; R276-V278 PolarHBondContact NH2-O 3.41Å; V278-P282 HydrophobicContact CG1-CB 4.18Å; V278-K285 HydrophobicContact CG1-CD 3.94Å; V278-L286 HydrophobicContact CB-CD1 4.3Å; V278-L286 HydrophobicContact CG2-CD1 4.39Å
279	T	90.8	Very high	94.4	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	7%	0.074	C	C	.	.			trans	-112.7	-15.6	-166	66	0	0	0	0	115.1	C167 D213 Q217 Y277 R306	C167-T279 HydrophobicContact CB-CG2 4.1Å; D213-T279 VanDerWaalsContact CG-N 3.25Å; D213-T279 PolarHBondContact OD1-N 3.15Å; D213-T279 VanDerWaalsContact OD1-N 3.09Å; D213-T279 PolarHBondContact OD1-OG1 2.85Å; D213-T279 PolarHBondContact OD2-N 2.92Å; Q217-T279 PolarHBondContact NE2-OG1 2.96Å; Y277-T279 HydrophobicContact CD1-CG2 4.43Å; Y277-T279 HydrophobicContact CE1-CG2 4.43Å; T279-R306 VanDerWaalsContact O-CZ 3.29Å; T279-R306 PolarHBondContact O-NH1 2.8Å; T279-R306 VanDerWaalsContact O-NH1 3.12Å; T279-R306 PolarHBondContact O-NH2 3.47Å
280	R	89.1	Confident	94.1	Very high	41 Å²	41	13 Å²	13	16%	0.155	6%	0.061	C	C	.	.	S	Bend	trans	-108.2	115.4	-179.4	-62.8	-70.1	175	164.2	-0.3	109.5	D213 V214 F243 P282 D475	D213-R280 VanDerWaalsContact OD2-CB 3.31Å; D213-R280 WeakPolarHBondContact OD2-CB 3.37Å; D213-R280 PolarHBondContact OD2-N 3.03Å; V214-R280 HydrophobicContact CG2-CG 4.18Å; F243-R280 HydrophobicContact CB-CB 4.48Å; F243-R280 HydrophobicContact CB-CG 4.23Å; R280-P282 VanDerWaalsContact C-N 3.3Å; R280-P282 VanDerWaalsContact O-N 3.14Å; R280-D475 PolarHBondContact NH1-O 3.01Å; R280-D475 PolarHBondContact NH2-O 3.08Å
281	K	91.4	Very high	93.8	Very high	60 Å²	60	14.4 Å²	14.4	26%	0.261	6%	0.064	S	C	.	.	S	Bend	trans	35.7	57.3	-178.8	-59.7	-170.1	-176.5	-175.9	0	112.9	E245 W283 L284 E548	E245-K281 IonicContact OE1-NZ 2.79Å; E245-K281 PolarHBondContact OE1-NZ 3.19Å; K281-W283 HydrophobicContact CB-CZ2 3.98Å; K281-W283 HydrophobicContact CG-CZ2 3.91Å; K281-W283 PolarHBondContact O-N 3.29Å; K281-L284 HydrophobicContact CB-CD1 3.74Å; K281-L284 HydrophobicContact CB-CG 4.13Å; K281-L284 HydrophobicContact CD-CD1 3.56Å; K281-L284 HydrophobicContact CG-CD1 4.34Å; K281-L284 WeakPolarHBondContact O-CB 3.26Å; K281-L284 PolarHBondContact O-N 2.87Å; K281-E548 WeakPolarHBondContact CE-OE1 3.25Å; K281-E548 IonicContact NZ-OE1 3.31Å; K281-E548 PolarHBondContact NZ-OE1 2.96Å; K281-E548 IonicContact NZ-OE2 3.07Å
282	P	93.6	Very high	93.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-57.4	-27.4	-172.1	25.8	-38.9	0	0	0	114	R276 V278 R280 L284 K285 L286 C301	R276-P282 VanDerWaalsContact CZ-CB 3.41Å; V278-P282 HydrophobicContact CG1-CB 4.18Å; R280-P282 VanDerWaalsContact C-N 3.3Å; R280-P282 VanDerWaalsContact O-N 3.14Å; P282-L284 PolarHBondContact O-N 3.44Å; P282-K285 PolarHBondContact O-N 2.86Å; P282-L286 PolarHBondContact O-N 3.25Å; P282-C301 HydrophobicContact CG-CB 4.38Å
283	W	94.3	Very high	93.6	Very high	1 Å²	1	12.7 Å²	12.7	0%	0.004	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-62.2	-17.1	174.6	48.5	87.9	0	0	0	114.1	K281 V298 C301 L302 R306 F545 E548 V549 G552 C553	K281-W283 HydrophobicContact CB-CZ2 3.98Å; K281-W283 HydrophobicContact CG-CZ2 3.91Å; K281-W283 PolarHBondContact O-N 3.29Å; W283-V298 HydrophobicContact CB-CG1 3.72Å; W283-C301 HydrophobicContact CE3-CB 4.49Å; W283-C301 HydrophobicContact CZ3-CB 4.48Å; W283-L302 HydrophobicContact CE3-CD2 4.19Å; W283-R306 HydrophobicContact CH2-CG 4.46Å; W283-R306 HydrophobicContact CZ3-CG 4.12Å; W283-F545 AromaticContact CD2-CE2 3.95Å; W283-F545 HydrophobicContact CD2-CE2 3.95Å; W283-F545 AromaticContact CE2-CE2 3.58Å; W283-F545 HydrophobicContact CE3-CE2 4.19Å; W283-F545 AromaticContact CH2-CE2 3.82Å; W283-F545 HydrophobicContact CH2-CE2 3.82Å; W283-F545 HydrophobicContact CZ2-CD2 4.05Å; W283-F545 AromaticContact CZ2-CE2 3.54Å; W283-F545 HydrophobicContact CZ2-CE2 3.54Å; W283-F545 HydrophobicContact CZ3-CE2 4.13Å; W283-E548 PolarHBondContact NE1-OE2 3.37Å; W283-E548 VanDerWaalsContact NE1-OE2 3.09Å; W283-V549 HydrophobicContact CB-CG2 4.24Å; W283-V549 HydrophobicContact CG-CG2 4.07Å; W283-G552 CarbonylContact O-C 3.56Å; W283-G552 VanDerWaalsContact O-CA 3.24Å; W283-G552 WeakPolarHBondContact O-CA 3.5Å; W283-C553 PolarHBondContact O-SG 3.33Å
284	L	93.5	Very high	93.5	Very high	17 Å²	17	13.3 Å²	13.3	9%	0.089	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-83.9	-14.3	173.6	-65.2	177.1	0	0	0	113.5	E245 K281 P282 E548 L551	E245-L284 HydrophobicContact CB-CD1 3.91Å; E245-L284 HydrophobicContact CG-CD1 3.6Å; K281-L284 HydrophobicContact CB-CD1 3.74Å; K281-L284 HydrophobicContact CB-CG 4.13Å; K281-L284 HydrophobicContact CD-CD1 3.56Å; K281-L284 HydrophobicContact CG-CD1 4.34Å; K281-L284 WeakPolarHBondContact O-CB 3.26Å; K281-L284 PolarHBondContact O-N 2.87Å; P282-L284 PolarHBondContact O-N 3.44Å; L284-E548 HydrophobicContact CD2-CB 4.13Å; L284-E548 VanDerWaalsContact CD2-O 3.22Å; L284-E548 WeakPolarHBondContact CD2-O 3.41Å; L284-L551 HydrophobicContact CD2-CD2 4.31Å
285	K	92.6	Very high	93.4	Very high	5 Å²	5	13.5 Å²	13.5	2%	0.022	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-28.6	-173.6	-70.4	178.7	174.1	150.9	0	114	V241 G242 F243 E244 L247 W253 V278 P282	V241-K285 HydrophobicContact CG2-CD 4Å; G242-K285 PolarHBondContact O-NZ 2.88Å; F243-K285 VanDerWaalsContact C-NZ 3.35Å; E244-K285 WeakPolarHBondContact O-CE 3.47Å; E244-K285 PolarHBondContact O-NZ 2.93Å; L247-K285 HydrophobicContact CD2-CB 4.04Å; L247-K285 HydrophobicContact CD2-CG 4.18Å; W253-K285 PolarHBondContact NE1-O 2.78Å; V278-K285 HydrophobicContact CG1-CD 3.94Å; P282-K285 PolarHBondContact O-N 2.86Å
286	L	94.2	Very high	93.3	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	6%	0.063	C	C	.	.	S	Bend	trans	-119.7	126.5	-173.3	-55.3	174.8	0	0	0	107.3	L211 M251 W253 R276 V278 P282 I294 V298	L211-L286 HydrophobicContact CD1-CD2 3.84Å; M251-L286 HydrophobicContact CE-CD2 4.3Å; W253-L286 HydrophobicContact CZ2-CD2 3.76Å; R276-L286 HydrophobicContact CG-CD1 3.55Å; V278-L286 HydrophobicContact CB-CD1 4.3Å; V278-L286 HydrophobicContact CG2-CD1 4.39Å; P282-L286 PolarHBondContact O-N 3.25Å; L286-I294 HydrophobicContact CB-CD1 4.47Å; L286-V298 HydrophobicContact CB-CG2 3.59Å; L286-V298 HydrophobicContact CD1-CG2 4.45Å; L286-V298 WeakPolarHBondContact O-CG2 3.5Å
287	P	93.2	Very high	93.2	Very high	15 Å²	15	14 Å²	14	10%	0.097	7%	0.066	C	C	.	.			trans	-67.8	147.7	178.2	30	-34.8	0	0	0	109.3	W253 L289	W253-P287 VanDerWaalsContact CD2-CD 3.5Å; W253-P287 HydrophobicContact CD2-CG 3.71Å; W253-P287 HydrophobicContact CE3-CG 3.65Å; W253-P287 HydrophobicContact CG-CG 4.32Å; W253-P287 HydrophobicContact CH2-CG 4.04Å; W253-P287 HydrophobicContact CZ2-CG 4.13Å; W253-P287 HydrophobicContact CZ3-CG 3.79Å; P287-L289 VanDerWaalsContact C-N 3.31Å
288	L	92.9	Very high	93.2	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.031	7%	0.066	C	C	.	.	S	Bend	trans	-66.7	-37.8	173	-166.9	63.7	0	0	0	111.4	V298 I299 L302 F531 C553 I556	L288-V298 HydrophobicContact CD1-CB 3.94Å; L288-V298 HydrophobicContact CD1-CG1 3.97Å; L288-I299 HydrophobicContact CD1-CB 3.9Å; L288-L302 HydrophobicContact CD1-CD1 3.91Å; L288-L302 HydrophobicContact CD2-CD1 4.3Å; L288-F531 HydrophobicContact CD2-CB 3.86Å; L288-F531 HydrophobicContact CD2-CD1 3.58Å; L288-F531 HydrophobicContact CD2-CD2 3.42Å; L288-F531 VanDerWaalsContact CD2-CD2 3.42Å; L288-F531 HydrophobicContact CD2-CE1 3.84Å; L288-F531 HydrophobicContact CD2-CE2 3.7Å; L288-F531 HydrophobicContact CD2-CG 3.33Å; L288-F531 HydrophobicContact CD2-CZ 3.87Å; L288-F531 HydrophobicContact CG-CD2 4.43Å; L288-C553 HydrophobicContact CB-CB 3.93Å; L288-C553 PolarHBondContact N-SG 3.33Å; L288-I556 HydrophobicContact CB-CG2 3.96Å; L288-I556 HydrophobicContact CD2-CG2 3.61Å; L288-I556 HydrophobicContact CG-CG2 4.37Å
289	L	92.1	Very high	93.4	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	7%	0.065	C	C	.	.	S	Bend	trans	-106.3	112.3	177.9	-50.7	179.5	0	0	0	109.2	P287 R528 Q529 F531 R555 Q559	P287-L289 VanDerWaalsContact C-N 3.31Å; L289-R528 WeakPolarHBondContact CD2-O 3.3Å; L289-Q529 WeakPolarHBondContact CD1-O 3.15Å; L289-F531 HydrophobicContact CD2-CB 4.35Å; L289-R555 HydrophobicContact CD1-CB 4.08Å; L289-R555 PolarHBondContact O-NH1 3.04Å; L289-Q559 HydrophobicContact CD1-CG 4.16Å
290	S	91.5	Very high	93.6	Very high	9 Å²	9	13.6 Å²	13.6	6%	0.063	6%	0.064	C	C	.	.			trans	-135.2	137.9	-171.7	-176.9	0	0	0	0	111	W253 G257 T292	W253-S290 WeakPolarHBondContact CZ3-OG 3.27Å; G257-S290 PolarHBondContact O-OG 3.2Å; S290-T292 WeakPolarHBondContact CB-O 3.34Å; S290-T292 PolarHBondContact OG-N 2.98Å; S290-T292 PolarHBondContact OG-O 3.09Å
291	K	92	Very high	94	Very high	91 Å²	91	11.7 Å²	11.7	40%	0.396	6%	0.057	S	C	.	.	S	Bend	trans	-83.8	-34.8	167	-77.8	-175.5	-177.1	-178.6	0	111.5	P204 D256 G257 V258 M293	P204-K291 WeakPolarHBondContact CD-O 3.38Å; D256-K291 HydrophobicContact CB-CD 4.18Å; D256-K291 WeakPolarHBondContact O-CD 3.5Å; D256-K291 WeakPolarHBondContact O-CG 3.43Å; D256-K291 WeakPolarHBondContact OD2-CD 3.33Å; D256-K291 WeakPolarHBondContact OD2-CE 3.03Å; D256-K291 IonicContact OD2-NZ 3.58Å; D256-K291 PolarHBondContact OD2-NZ 3.12Å; G257-K291 PolarHBondContact O-N 2.73Å; V258-K291 HydrophobicContact CG2-CB 3.95Å; V258-K291 HydrophobicContact CG2-CD 4.26Å; K291-M293 PolarHBondContact O-N 3.28Å
292	T	95	Very high	94.2	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.045	C	C	.	.	S	Bend	trans	-60.8	127.7	164.6	-63.8	0	0	0	0	108.8	G257 V258 C259 I271 L274 S290 I294	G257-T292 PolarHBondContact O-N 2.66Å; V258-T292 WeakPolarHBondContact CA-OG1 2.88Å; C259-T292 HydrophobicContact CB-CG2 4.19Å; C259-T292 PolarHBondContact N-OG1 3.26Å; I271-T292 WeakPolarHBondContact O-CB 3.46Å; I271-T292 WeakPolarHBondContact O-CG2 3.36Å; I271-T292 PolarHBondContact O-OG1 2.88Å; L274-T292 HydrophobicContact CB-CG2 4.35Å; L274-T292 HydrophobicContact CD1-CG2 3.52Å; L274-T292 HydrophobicContact CG-CG2 3.53Å; S290-T292 WeakPolarHBondContact CB-O 3.34Å; S290-T292 PolarHBondContact OG-N 2.98Å; S290-T292 PolarHBondContact OG-O 3.09Å; T292-I294 PolarHBondContact O-N 3.46Å
293	M	94.8	Very high	94.4	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.3	173.7	172.9	-165.3	141.3	0	0	109.6	F192 I195 L196 L203 R272 A273 L274 K291 V295	F192-M293 HydrophobicContact CD1-CE 4.33Å; F192-M293 HydrophobicContact CD2-CE 4.07Å; F192-M293 HydrophobicContact CE1-CE 4.29Å; F192-M293 HydrophobicContact CE2-CE 3.98Å; F192-M293 HydrophobicContact CG-CE 4.22Å; F192-M293 HydrophobicContact CZ-CE 4.11Å; F192-M293 WeakPolarHBondContact O-CE 3.46Å; I195-M293 HydrophobicContact CB-CE 3.66Å; I195-M293 HydrophobicContact CB-SD 3.82Å; I195-M293 HydrophobicContact CD1-CE 4.27Å; I195-M293 HydrophobicContact CG2-CE 3.88Å; I195-M293 HydrophobicContact CG2-CG 3.9Å; I195-M293 HydrophobicContact CG2-SD 3.45Å; I195-M293 WeakPolarHBondContact CG2-SD 3.43Å; L196-M293 HydrophobicContact CB-CE 4.33Å; L196-M293 HydrophobicContact CB-SD 4.13Å; L196-M293 HydrophobicContact CD1-SD 4.49Å; L203-M293 HydrophobicContact CD1-CB 4.06Å; L203-M293 HydrophobicContact CD1-SD 4.24Å; L203-M293 HydrophobicContact CD2-CB 3.7Å; R272-M293 PolarHBondContact O-N 3.07Å; A273-M293 CarbonylContact C-O 3.44Å; A273-M293 VanDerWaalsContact CA-O 3.24Å; A273-M293 WeakPolarHBondContact CA-O 3.38Å; A273-M293 HydrophobicContact CB-CB 3.95Å; A273-M293 HydrophobicContact CB-CG 4.36Å; A273-M293 HydrophobicContact CB-SD 4.03Å; L274-M293 PolarHBondContact N-O 2.91Å; K291-M293 PolarHBondContact O-N 3.28Å; M293-V295 HydrophobicContact CE-CG2 3.48Å; M293-V295 VanDerWaalsContact CE-CG2 3.48Å
294	I	95.1	Very high	94.5	Very high	12 Å²	12	8.8 Å²	8.8	6%	0.062	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.3	174.8	-53.3	175.5	0	0	0	107.5	W253 L274 R276 L286 T292 P297	W253-I294 HydrophobicContact CH2-CD1 3.83Å; L274-I294 HydrophobicContact CB-CG1 4.38Å; L274-I294 HydrophobicContact CD1-CG1 4.19Å; R276-I294 HydrophobicContact CB-CG2 3.91Å; L286-I294 HydrophobicContact CB-CD1 4.47Å; T292-I294 PolarHBondContact O-N 3.46Å; I294-P297 HydrophobicContact CB-CB 4.37Å; I294-P297 VanDerWaalsContact O-CD 3.3Å; I294-P297 WeakPolarHBondContact O-CD 3.11Å
295	V	94	Very high	94.6	Very high	4 Å²	4	8 Å²	8	2%	0.024	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134.6	169.3	169.7	0	0	0	0	109.5	F192 I195 L274 M293	F192-V295 HydrophobicContact CB-CG2 4.12Å; F192-V295 HydrophobicContact CD2-CB 3.88Å; F192-V295 HydrophobicContact CD2-CG2 3.19Å; F192-V295 HydrophobicContact CE2-CB 4.39Å; F192-V295 HydrophobicContact CE2-CG2 3.8Å; F192-V295 HydrophobicContact CG-CG2 3.92Å; I195-V295 HydrophobicContact CD1-CG2 4.26Å; L274-V295 PolarHBondContact O-N 2.9Å; L274-V295 VanDerWaalsContact O-N 3.16Å; M293-V295 HydrophobicContact CE-CG2 3.48Å; M293-V295 VanDerWaalsContact CE-CG2 3.48Å
296	N	94.2	Very high	94.6	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.011	4%	0.043	C	C	.	.	S	Bend	trans	49.8	64.9	-167	-67.6	-0.5	0	0	0	111.6	R141 W142 S166 R276 A300	R141-N296 PolarHBondContact N-OD1 2.91Å; W142-N296 PolarHBondContact N-OD1 3.4Å; W142-N296 PolarHBondContact O-ND2 2.8Å; S166-N296 PolarHBondContact O-ND2 3.34Å; R276-N296 WeakPolarHBondContact CD-O 3.46Å; R276-N296 PolarHBondContact NH1-O 3.23Å; N296-A300 HydrophobicContact CB-CB 4.43Å
297	P	94.4	Very high	94.7	Very high	16 Å²	16	8.6 Å²	8.6	10%	0.104	4%	0.043	C	C	.	.			trans	-58.1	166.6	178.8	21.2	-24.4	0	0	0	110.9	W139 I294 I299 A300	W139-P297 HydrophobicContact CE3-CG 3.94Å; W139-P297 WeakPolarHBondContact O-CD 3.35Å; I294-P297 HydrophobicContact CB-CB 4.37Å; I294-P297 VanDerWaalsContact O-CD 3.3Å; I294-P297 WeakPolarHBondContact O-CD 3.11Å; P297-I299 HydrophobicContact CB-CG2 4.2Å; P297-I299 HydrophobicContact CG-CG2 3.77Å; P297-I299 PolarHBondContact O-N 3.41Å; P297-A300 WeakPolarHBondContact O-CB 3.41Å; P297-A300 PolarHBondContact O-N 2.93Å
298	V	95.4	Very high	94.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-53.4	-29.8	-175.2	171.4	0	0	0	0	112.7	W283 L286 L288 A300 C301 L302	W283-V298 HydrophobicContact CB-CG1 3.72Å; L286-V298 HydrophobicContact CB-CG2 3.59Å; L286-V298 HydrophobicContact CD1-CG2 4.45Å; L286-V298 WeakPolarHBondContact O-CG2 3.5Å; L288-V298 HydrophobicContact CD1-CB 3.94Å; L288-V298 HydrophobicContact CD1-CG1 3.97Å; V298-A300 PolarHBondContact O-N 2.93Å; V298-C301 WeakPolarHBondContact O-CA 3.46Å; V298-C301 VanDerWaalsContact O-CB 3.23Å; V298-C301 WeakPolarHBondContact O-CB 3.4Å; V298-C301 PolarHBondContact O-N 3.43Å; V298-L302 HydrophobicContact CG1-CD1 4.14Å; V298-L302 HydrophobicContact CG1-CD2 4.36Å; V298-L302 HydrophobicContact CG1-CG 3.99Å; V298-L302 PolarHBondContact O-N 3.32Å; V298-L302 VanDerWaalsContact O-N 3.08Å
299	I	96.2	Very high	95	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-54.3	-37.2	174	-172.7	59.3	0	0	0	113.1	W139 L288 P297 C301 L302 A303 C521 L524 M525 F531	W139-I299 HydrophobicContact CB-CG2 4.28Å; W139-I299 HydrophobicContact CD2-CG2 4.39Å; W139-I299 HydrophobicContact CE3-CG2 4.43Å; W139-I299 HydrophobicContact CG-CG2 4.36Å; L288-I299 HydrophobicContact CD1-CB 3.9Å; P297-I299 HydrophobicContact CB-CG2 4.2Å; P297-I299 HydrophobicContact CG-CG2 3.77Å; P297-I299 PolarHBondContact O-N 3.41Å; I299-C301 PolarHBondContact O-N 2.96Å; I299-L302 PolarHBondContact O-N 3.44Å; I299-A303 WeakPolarHBondContact O-CB 3.4Å; I299-A303 PolarHBondContact O-N 3.39Å; I299-C521 HydrophobicContact CG1-CB 4.05Å; I299-L524 HydrophobicContact CD1-CB 3.68Å; I299-L524 HydrophobicContact CD1-CD1 4.01Å; I299-L524 HydrophobicContact CD1-CG 4.49Å; I299-M525 HydrophobicContact CB-CE 4.14Å; I299-M525 HydrophobicContact CB-SD 3.94Å; I299-M525 HydrophobicContact CD1-CB 4.29Å; I299-M525 HydrophobicContact CG1-CB 3.98Å; I299-M525 HydrophobicContact CG1-SD 4.2Å; I299-M525 HydrophobicContact CG2-CE 3.53Å; I299-M525 HydrophobicContact CG2-SD 4.02Å; I299-F531 HydrophobicContact CD1-CD2 4.17Å; I299-F531 HydrophobicContact CD1-CE2 3.75Å
300	A	96.7	Very high	95.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.5	-30.5	176.6	0	0	0	0	0	111.8	Y140 N296 P297 V298 G305	Y140-A300 HydrophobicContact CD2-CB 4.11Å; Y140-A300 HydrophobicContact CG-CB 4.32Å; N296-A300 HydrophobicContact CB-CB 4.43Å; P297-A300 WeakPolarHBondContact O-CB 3.41Å; P297-A300 PolarHBondContact O-N 2.93Å; V298-A300 PolarHBondContact O-N 2.93Å; A300-G305 WeakPolarHBondContact O-CA 3.46Å; A300-G305 PolarHBondContact O-N 2.87Å
301	C	96.6	Very high	95.6	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.007	4%	0.04	C	C	.	.	I	π-helix	trans	-70.7	-50.9	171.4	-67.8	0	0	0	0	111.9	S166 R276 P282 W283 V298 I299 A303 G304 R306 N307	S166-C301 PolarHBondContact OG-SG 3.16Å; R276-C301 PolarHBondContact NH1-SG 3.36Å; R276-C301 PolarHBondContact NH2-SG 3.28Å; P282-C301 HydrophobicContact CG-CB 4.38Å; W283-C301 HydrophobicContact CE3-CB 4.49Å; W283-C301 HydrophobicContact CZ3-CB 4.48Å; V298-C301 WeakPolarHBondContact O-CA 3.46Å; V298-C301 VanDerWaalsContact O-CB 3.23Å; V298-C301 WeakPolarHBondContact O-CB 3.4Å; V298-C301 PolarHBondContact O-N 3.43Å; I299-C301 PolarHBondContact O-N 2.96Å; C301-A303 VanDerWaalsContact C-N 3.33Å; C301-A303 PolarHBondContact O-N 3.38Å; C301-G304 PolarHBondContact O-N 3.05Å; C301-R306 HydrophobicContact CB-CB 3.66Å; C301-R306 PolarHBondContact O-N 3.43Å; C301-R306 VanDerWaalsContact O-N 3.1Å; C301-N307 WeakPolarHBondContact O-CB 3.35Å; C301-N307 PolarHBondContact O-N 3.05Å
302	L	96.6	Very high	95.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.026	C	C	.	.	I	π-helix	trans	-64.4	-38.1	-174.9	-58.4	-174.5	0	0	0	111.8	W283 L288 V298 I299 G304 N307 F531 F536 F545 V549	W283-L302 HydrophobicContact CE3-CD2 4.19Å; L288-L302 HydrophobicContact CD1-CD1 3.91Å; L288-L302 HydrophobicContact CD2-CD1 4.3Å; V298-L302 HydrophobicContact CG1-CD1 4.14Å; V298-L302 HydrophobicContact CG1-CD2 4.36Å; V298-L302 HydrophobicContact CG1-CG 3.99Å; V298-L302 PolarHBondContact O-N 3.32Å; V298-L302 VanDerWaalsContact O-N 3.08Å; I299-L302 PolarHBondContact O-N 3.44Å; L302-G304 VanDerWaalsContact C-N 3.29Å; L302-G304 PolarHBondContact O-N 2.78Å; L302-N307 WeakPolarHBondContact O-CB 3.19Å; L302-F531 HydrophobicContact CD1-CZ 4.42Å; L302-F536 HydrophobicContact CB-CE2 3.91Å; L302-F536 HydrophobicContact CB-CZ 4.45Å; L302-F536 HydrophobicContact CD1-CE2 4.43Å; L302-F536 HydrophobicContact CD1-CZ 4.38Å; L302-F536 HydrophobicContact CD2-CZ 4.32Å; L302-F545 HydrophobicContact CD2-CE1 4.32Å; L302-F545 HydrophobicContact CD2-CE2 4.35Å; L302-F545 HydrophobicContact CD2-CZ 3.56Å; L302-V549 HydrophobicContact CD1-CG1 4.05Å; L302-V549 HydrophobicContact CD2-CG2 3.82Å
303	A	97.4	Very high	96	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	I	π-helix	trans	-77.6	-7.6	-177.8	0	0	0	0	0	114.7	I299 C301 V310 I517 Q520 C521 L524	I299-A303 WeakPolarHBondContact O-CB 3.4Å; I299-A303 PolarHBondContact O-N 3.39Å; C301-A303 VanDerWaalsContact C-N 3.33Å; C301-A303 PolarHBondContact O-N 3.38Å; A303-V310 WeakPolarHBondContact O-CG1 3.46Å; A303-I517 HydrophobicContact CB-CG2 4.37Å; A303-Q520 HydrophobicContact CB-CB 4.21Å; A303-Q520 HydrophobicContact CB-CG 4.05Å; A303-C521 HydrophobicContact CB-CB 4.25Å; A303-C521 WeakPolarHBondContact CB-SG 2.91Å; A303-L524 HydrophobicContact CB-CD1 4.04Å
304	G	96.8	Very high	96.2	Very high	2 Å²	2	6.6 Å²	6.6	2%	0.021	4%	0.035	C	C	.	.	I	π-helix	trans	140.6	-15.9	172.7	0	0	0	0	0	116.3	C301 L302 R306 N307 A311	C301-G304 PolarHBondContact O-N 3.05Å; L302-G304 VanDerWaalsContact C-N 3.29Å; L302-G304 PolarHBondContact O-N 2.78Å; G304-R306 PolarHBondContact O-N 3.43Å; G304-R306 VanDerWaalsContact O-N 3.1Å; G304-N307 WeakPolarHBondContact CA-O 3.42Å; G304-A311 WeakPolarHBondContact O-CB 3.15Å
305	G	95.3	Very high	96.3	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	I	π-helix	trans	-68.3	-8	175.2	0	0	0	0	0	113.3	M164 N165 S166 A300	M164-G305 VanDerWaalsContact O-O 3.13Å; N165-G305 CarbonylContact C-O 3.57Å; N165-G305 VanDerWaalsContact CA-O 3.28Å; N165-G305 WeakPolarHBondContact CA-O 3.3Å; S166-G305 PolarHBondContact N-O 3.4Å; A300-G305 WeakPolarHBondContact O-CA 3.46Å; A300-G305 PolarHBondContact O-N 2.87Å
306	R	92.8	Very high	96.5	Very high	18 Å²	18	12.8 Å²	12.8	7%	0.068	6%	0.057	C	C	.	.	S	Bend	trans	-139.4	-38.3	166.8	-174.2	49	171.4	-95.6	-34.3	113.3	T279 W283 C301 G304 K308 Y360 S361 N362	T279-R306 VanDerWaalsContact O-CZ 3.29Å; T279-R306 PolarHBondContact O-NH1 2.8Å; T279-R306 VanDerWaalsContact O-NH1 3.12Å; T279-R306 PolarHBondContact O-NH2 3.47Å; W283-R306 HydrophobicContact CH2-CG 4.46Å; W283-R306 HydrophobicContact CZ3-CG 4.12Å; C301-R306 HydrophobicContact CB-CB 3.66Å; C301-R306 PolarHBondContact O-N 3.43Å; C301-R306 VanDerWaalsContact O-N 3.1Å; G304-R306 PolarHBondContact O-N 3.43Å; G304-R306 VanDerWaalsContact O-N 3.1Å; R306-K308 PolarHBondContact O-N 3.03Å; R306-K308 VanDerWaalsContact O-N 3.17Å; R306-Y360 PolarHBondContact NE-O 3.06Å; R306-Y360 PolarHBondContact NH2-O 2.85Å; R306-S361 PolarHBondContact NE-O 3.41Å; R306-S361 VanDerWaalsContact NE-O 3.14Å; R306-N362 VanDerWaalsContact NH1-CB 3.3Å; R306-N362 PolarHBondContact NH1-ND2 2.81Å; R306-N362 PolarHBondContact NH1-OD1 3.26Å
307	N	95.8	Very high	96.7	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.077	C	C	.	.			trans	-76.4	97.8	178.3	-173.6	-18.2	0	0	0	110.9	C301 L302 G304 L309 V310 A311 D540 F545	C301-N307 WeakPolarHBondContact O-CB 3.35Å; C301-N307 PolarHBondContact O-N 3.05Å; L302-N307 WeakPolarHBondContact O-CB 3.19Å; G304-N307 WeakPolarHBondContact CA-O 3.42Å; N307-L309 PolarHBondContact O-N 3.02Å; N307-L309 WeakPolarHBondContact OD1-CB 3.11Å; N307-L309 PolarHBondContact OD1-N 3.26Å; N307-L309 VanDerWaalsContact OD1-N 3.16Å; N307-V310 HydrophobicContact CB-CB 4.28Å; N307-V310 HydrophobicContact CB-CG2 4.39Å; N307-V310 WeakPolarHBondContact ND2-CG2 3.23Å; N307-V310 PolarHBondContact O-N 2.76Å; N307-V310 PolarHBondContact OD1-N 2.79Å; N307-A311 WeakPolarHBondContact O-CB 3.14Å; N307-A311 PolarHBondContact O-N 3.29Å; N307-D540 PolarHBondContact ND2-OD2 2.84Å; N307-F545 WeakPolarHBondContact ND2-CE1 3.24Å
308	K	96.1	Very high	96.8	Very high	21 Å²	21	16.3 Å²	16.3	9%	0.091	7%	0.072	C	C	.	.	H	α-helix	trans	-62.1	-29.5	-176.4	-61.9	170.6	172.3	62.5	0	113.3	E163 R306 A312 K357 P359 S361 I390	E163-K308 WeakPolarHBondContact OE2-CE 3.26Å; E163-K308 IonicContact OE2-NZ 3.73Å; E163-K308 PolarHBondContact OE2-NZ 3.37Å; E163-K308 VanDerWaalsContact OE2-NZ 3.07Å; R306-K308 PolarHBondContact O-N 3.03Å; R306-K308 VanDerWaalsContact O-N 3.17Å; K308-A312 PolarHBondContact O-N 3.4Å; K308-A312 VanDerWaalsContact O-N 3.07Å; K308-K357 HydrophobicContact CD-CB 4.07Å; K308-K357 HydrophobicContact CD-CD 3.83Å; K308-P359 PolarHBondContact N-O 3.38Å; K308-S361 PolarHBondContact NZ-O 2.55Å; K308-S361 VanDerWaalsContact NZ-O 3.11Å; K308-I390 HydrophobicContact CB-CD1 4.28Å; K308-I390 HydrophobicContact CB-CG2 4.09Å; K308-I390 WeakPolarHBondContact O-CD1 3.49Å
309	L	96.6	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.2	-51.1	179.3	179.9	159.5	0	0	0	110	N307 A311 A312 K313 P359 K388 L539 D540	N307-L309 PolarHBondContact O-N 3.02Å; N307-L309 WeakPolarHBondContact OD1-CB 3.11Å; N307-L309 PolarHBondContact OD1-N 3.26Å; N307-L309 VanDerWaalsContact OD1-N 3.16Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 2.91Å; L309-A312 PolarHBondContact O-N 3.33Å; L309-K313 HydrophobicContact CD2-CD 4.11Å; L309-K313 PolarHBondContact O-N 3.19Å; L309-P359 HydrophobicContact CB-CB 3.82Å; L309-P359 HydrophobicContact CB-CG 3.94Å; L309-P359 HydrophobicContact CD1-CG 4.34Å; L309-K388 HydrophobicContact CD1-CB 4.08Å; L309-L539 WeakPolarHBondContact CD2-O 3.41Å; L309-D540 HydrophobicContact CD2-CB 4.44Å
310	V	97.5	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.7	-35.6	177.7	-179.2	0	0	0	0	111	A303 N307 A312 K313 A314 Q520 L539 D540	A303-V310 WeakPolarHBondContact O-CG1 3.46Å; N307-V310 HydrophobicContact CB-CB 4.28Å; N307-V310 HydrophobicContact CB-CG2 4.39Å; N307-V310 WeakPolarHBondContact ND2-CG2 3.23Å; N307-V310 PolarHBondContact O-N 2.76Å; N307-V310 PolarHBondContact OD1-N 2.79Å; V310-A312 PolarHBondContact O-N 3.44Å; V310-K313 PolarHBondContact O-N 2.92Å; V310-A314 PolarHBondContact O-N 3.18Å; V310-Q520 HydrophobicContact CG1-CG 3.98Å; V310-L539 HydrophobicContact CG2-CB 4.24Å; V310-D540 HydrophobicContact CG2-CB 3.94Å
311	A	98.1	Very high	97.1	Very high	4 Å²	4	26 Å²	26	3%	0.033	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-46.7	173.7	0	0	0	0	0	112.2	G304 N307 L309 K313 A314 Y315	G304-A311 WeakPolarHBondContact O-CB 3.15Å; N307-A311 WeakPolarHBondContact O-CB 3.14Å; N307-A311 PolarHBondContact O-N 3.29Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 2.91Å; A311-K313 VanDerWaalsContact C-N 3.28Å; A311-K313 PolarHBondContact O-N 2.75Å; A311-A314 WeakPolarHBondContact O-CB 3.44Å; A311-A314 PolarHBondContact O-N 2.65Å; A311-A314 VanDerWaalsContact O-N 3.14Å; A311-Y315 HydrophobicContact CB-CE1 4.44Å; A311-Y315 HydrophobicContact CB-CE2 4.07Å; A311-Y315 WeakPolarHBondContact O-CD1 3.41Å; A311-Y315 VanDerWaalsContact O-CD2 3.31Å; A311-Y315 WeakPolarHBondContact O-CD2 3.49Å; A311-Y315 PolarHBondContact O-N 2.82Å
312	A	97.8	Very high	97.2	Very high	13 Å²	13	26.7 Å²	26.7	11%	0.107	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-36.1	178.3	0	0	0	0	0	112.6	K308 L309 V310 R316 T334 T336 I390	K308-A312 PolarHBondContact O-N 3.4Å; K308-A312 VanDerWaalsContact O-N 3.07Å; L309-A312 PolarHBondContact O-N 3.33Å; V310-A312 PolarHBondContact O-N 3.44Å; A312-R316 PolarHBondContact O-N 3.49Å; A312-T334 HydrophobicContact CB-CG2 3.81Å; A312-T336 HydrophobicContact CB-CG2 3.65Å; A312-I390 HydrophobicContact CB-CD1 3.88Å
313	K	97.7	Very high	97.2	Very high	41 Å²	41	29.6 Å²	29.6	18%	0.178	16%	0.16	C	C	.	.	H	α-helix	trans	-68	-42.6	173.5	-65.3	179	-178.6	177.4	0	111.3	L309 V310 A311 Y315 R316 H317 T336 D337 L539	L309-K313 HydrophobicContact CD2-CD 4.11Å; L309-K313 PolarHBondContact O-N 3.19Å; V310-K313 PolarHBondContact O-N 2.92Å; A311-K313 VanDerWaalsContact C-N 3.28Å; A311-K313 PolarHBondContact O-N 2.75Å; K313-Y315 PolarHBondContact O-N 3.47Å; K313-R316 PolarHBondContact O-N 3.44Å; K313-H317 PolarHBondContact O-N 3.4Å; K313-H317 VanDerWaalsContact O-N 3.09Å; K313-T336 HydrophobicContact CG-CG2 4.38Å; K313-D337 WeakPolarHBondContact CE-OD1 3.49Å; K313-D337 WeakPolarHBondContact CE-OD2 3.28Å; K313-D337 VanDerWaalsContact NZ-CG 3.33Å; K313-D337 IonicContact NZ-OD1 3.76Å; K313-D337 PolarHBondContact NZ-OD1 2.76Å; K313-D337 IonicContact NZ-OD2 3.72Å; K313-D337 PolarHBondContact NZ-OD2 3.08Å; K313-D337 VanDerWaalsContact NZ-OD2 3.13Å; K313-L539 HydrophobicContact CD-CD2 4.2Å; K313-L539 PolarHBondContact NZ-O 2.98Å
314	A	98.3	Very high	97.2	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-43.3	176	0	0	0	0	0	111.9	V310 A311 R316 H317 F318 A516 Q520	V310-A314 PolarHBondContact O-N 3.18Å; A311-A314 WeakPolarHBondContact O-CB 3.44Å; A311-A314 PolarHBondContact O-N 2.65Å; A311-A314 VanDerWaalsContact O-N 3.14Å; A314-R316 PolarHBondContact O-N 2.68Å; A314-H317 PolarHBondContact O-N 3Å; A314-F318 WeakPolarHBondContact O-CB 3.15Å; A314-F318 PolarHBondContact O-N 2.96Å; A314-A516 HydrophobicContact CB-CB 4.47Å; A314-Q520 HydrophobicContact CB-CB 4.07Å; A314-Q520 HydrophobicContact CB-CG 4.34Å
315	Y	98.5	Very high	97.3	Very high	13 Å²	13	38.4 Å²	38.4	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-38.8	177.9	-54.4	-26.4	0	0	0	112.7	I161 M164 A311 K313 F318 N319 I329 V331 A513 A516 I517	I161-Y315 HydrophobicContact CG2-CE2 4.5Å; M164-Y315 WeakPolarHBondContact CG-OH 3.42Å; A311-Y315 HydrophobicContact CB-CE1 4.44Å; A311-Y315 HydrophobicContact CB-CE2 4.07Å; A311-Y315 WeakPolarHBondContact O-CD1 3.41Å; A311-Y315 VanDerWaalsContact O-CD2 3.31Å; A311-Y315 WeakPolarHBondContact O-CD2 3.49Å; A311-Y315 PolarHBondContact O-N 2.82Å; K313-Y315 PolarHBondContact O-N 3.47Å; Y315-F318 PolarHBondContact O-N 2.77Å; Y315-N319 WeakPolarHBondContact O-CB 3.45Å; Y315-N319 PolarHBondContact O-N 2.8Å; Y315-N319 PolarHBondContact O-ND2 2.93Å; Y315-N319 PolarHBondContact O-OD1 2.66Å; Y315-I329 HydrophobicContact CD1-CD1 3.76Å; Y315-I329 HydrophobicContact CD1-CG2 4.31Å; Y315-I329 HydrophobicContact CG-CD1 4.22Å; Y315-I329 HydrophobicContact CG-CG2 4.15Å; Y315-V331 HydrophobicContact CD2-CG1 3.75Å; Y315-V331 HydrophobicContact CE2-CG1 4.13Å; Y315-A513 HydrophobicContact CD1-CB 4.45Å; Y315-A513 HydrophobicContact CE1-CB 3.82Å; Y315-A516 HydrophobicContact CD1-CB 4.12Å; Y315-I517 HydrophobicContact CE1-CD1 4.1Å; Y315-I517 HydrophobicContact CE1-CG1 4.13Å
316	R	97.7	Very high	97.4	Very high	134 Å²	134	39.5 Å²	39.5	51%	0.506	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-51.2	175.5	-173.4	-178.7	-60	169.8	3.8	110.6	A312 K313 A314 F318 N319 D320	A312-R316 PolarHBondContact O-N 3.49Å; K313-R316 PolarHBondContact O-N 3.44Å; A314-R316 PolarHBondContact O-N 2.68Å; R316-F318 VanDerWaalsContact C-N 3.3Å; R316-F318 PolarHBondContact O-N 2.92Å; R316-N319 PolarHBondContact O-N 3.47Å; R316-N319 VanDerWaalsContact O-N 3.17Å; R316-D320 VanDerWaalsContact O-CG 3.22Å; R316-D320 PolarHBondContact O-N 3.09Å
317	H	97.6	Very high	97.6	Very high	90 Å²	90	38.8 Å²	38.8	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-58.2	-42.9	178.5	-177.5	60.2	0	0	0	112.4	K313 A314 D320 A321	K313-H317 PolarHBondContact O-N 3.4Å; K313-H317 VanDerWaalsContact O-N 3.09Å; A314-H317 PolarHBondContact O-N 3Å; H317-D320 PolarHBondContact O-N 3.49Å; H317-A321 WeakPolarHBondContact O-CB 3.36Å; H317-A321 PolarHBondContact O-N 2.92Å
318	F	98.4	Very high	97.7	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-47.3	175.8	-176.2	-81.5	0	0	0	112.1	I132 A314 Y315 R316 D320 A321 H322 I329 L512 A516	I132-F318 HydrophobicContact CD1-CZ 4.01Å; A314-F318 WeakPolarHBondContact O-CB 3.15Å; A314-F318 PolarHBondContact O-N 2.96Å; Y315-F318 PolarHBondContact O-N 2.77Å; R316-F318 VanDerWaalsContact C-N 3.3Å; R316-F318 PolarHBondContact O-N 2.92Å; F318-D320 VanDerWaalsContact C-N 3.29Å; F318-D320 PolarHBondContact O-N 2.79Å; F318-A321 PolarHBondContact O-N 3.05Å; F318-H322 AromaticContact CD1-CD2 3.82Å; F318-H322 AromaticContact CD2-CD2 3.6Å; F318-H322 AromaticContact CD2-NE2 3.84Å; F318-H322 HydrophobicContact CE1-CB 4.29Å; F318-H322 AromaticContact CE1-CD2 3.63Å; F318-H322 AromaticContact CE2-CD2 3.41Å; F318-H322 VanDerWaalsContact CE2-CD2 3.41Å; F318-H322 WeakPolarHBondContact CE2-CD2 2.86Å; F318-H322 AromaticContact CE2-NE2 3.5Å; F318-H322 AromaticContact CG-CD2 3.8Å; F318-H322 AromaticContact CZ-CD2 3.42Å; F318-H322 VanDerWaalsContact CZ-CD2 3.42Å; F318-H322 WeakPolarHBondContact CZ-CD2 3.3Å; F318-H322 AromaticContact CZ-NE2 3.86Å; F318-H322 PolarHBondContact O-CD2 2.94Å; F318-H322 VanDerWaalsContact O-CD2 3.27Å; F318-H322 PolarHBondContact O-N 3.29Å; F318-I329 HydrophobicContact CB-CD1 3.88Å; F318-I329 HydrophobicContact CD1-CD1 3.44Å; F318-I329 VanDerWaalsContact CD1-CD1 3.44Å; F318-I329 HydrophobicContact CD1-CG1 3.72Å; F318-I329 HydrophobicContact CD2-CD1 4.48Å; F318-I329 HydrophobicContact CE1-CD1 4.11Å; F318-I329 HydrophobicContact CE1-CG1 4.05Å; F318-I329 HydrophobicContact CG-CD1 3.67Å; F318-I329 HydrophobicContact CG-CG1 4.44Å; F318-L512 HydrophobicContact CE1-CB 3.91Å; F318-L512 HydrophobicContact CE1-CD1 4.42Å; F318-L512 HydrophobicContact CE1-CD2 3.91Å; F318-L512 HydrophobicContact CE1-CG 4.27Å; F318-L512 HydrophobicContact CZ-CB 3.95Å; F318-L512 HydrophobicContact CZ-CD2 3.58Å; F318-L512 HydrophobicContact CZ-CG 4.27Å; F318-A516 HydrophobicContact CB-CB 3.66Å; F318-A516 HydrophobicContact CD2-CB 3.73Å; F318-A516 HydrophobicContact CG-CB 3.86Å
319	N	98.3	Very high	97.9	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.15	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-39.3	179.4	-74.1	-10.5	0	0	0	112	Y315 R316 A323 K328 I329	Y315-N319 WeakPolarHBondContact O-CB 3.45Å; Y315-N319 PolarHBondContact O-N 2.8Å; Y315-N319 PolarHBondContact O-ND2 2.93Å; Y315-N319 PolarHBondContact O-OD1 2.66Å; R316-N319 PolarHBondContact O-N 3.47Å; R316-N319 VanDerWaalsContact O-N 3.17Å; N319-A323 PolarHBondContact O-N 3.48Å; N319-A323 VanDerWaalsContact O-N 3.14Å; N319-K328 WeakPolarHBondContact OD1-CA 3.02Å; N319-I329 PolarHBondContact ND2-O 2.87Å; N319-I329 VanDerWaalsContact ND2-O 3.14Å; N319-I329 WeakPolarHBondContact OD1-CB 3.19Å; N319-I329 PolarHBondContact OD1-N 3.05Å
320	D	98	Very high	97.9	Very high	113 Å²	113	44.3 Å²	44.3	60%	0.604	24%	0.242	S	C	*	.	H	α-helix	trans	-67	-42.6	176.5	-61.8	-22.4	0	0	0	110.7	R316 H317 F318 H322	R316-D320 VanDerWaalsContact O-CG 3.22Å; R316-D320 PolarHBondContact O-N 3.09Å; H317-D320 PolarHBondContact O-N 3.49Å; F318-D320 VanDerWaalsContact C-N 3.29Å; F318-D320 PolarHBondContact O-N 2.79Å; D320-H322 PolarHBondContact O-N 3.1Å
321	A	97.8	Very high	97.9	Very high	63 Å²	63	46.5 Å²	46.5	52%	0.521	26%	0.256	S	S	.	.	H	α-helix	trans	-70.3	-27.1	-178.7	0	0	0	0	0	114.3	H317 F318	H317-A321 WeakPolarHBondContact O-CB 3.36Å; H317-A321 PolarHBondContact O-N 2.92Å; F318-A321 PolarHBondContact O-N 3.05Å
322	H	98.1	Very high	97.9	Very high	15 Å²	15	46.5 Å²	46.5	7%	0.069	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	15.1	-177.1	-63.2	-73.2	0	0	0	113.7	E128 F318 D320 D324 A325 G326 L327	E128-H322 IonicContact OE1-CE1 2.69Å; E128-H322 PolarHBondContact OE1-CE1 3.3Å; E128-H322 IonicContact OE1-ND1 3.9Å; E128-H322 PolarHBondContact OE1-ND1 3.27Å; F318-H322 AromaticContact CD1-CD2 3.82Å; F318-H322 AromaticContact CD2-CD2 3.6Å; F318-H322 AromaticContact CD2-NE2 3.84Å; F318-H322 HydrophobicContact CE1-CB 4.29Å; F318-H322 AromaticContact CE1-CD2 3.63Å; F318-H322 AromaticContact CE2-CD2 3.41Å; F318-H322 VanDerWaalsContact CE2-CD2 3.41Å; F318-H322 WeakPolarHBondContact CE2-CD2 2.86Å; F318-H322 AromaticContact CE2-NE2 3.5Å; F318-H322 AromaticContact CG-CD2 3.8Å; F318-H322 AromaticContact CZ-CD2 3.42Å; F318-H322 VanDerWaalsContact CZ-CD2 3.42Å; F318-H322 WeakPolarHBondContact CZ-CD2 3.3Å; F318-H322 AromaticContact CZ-NE2 3.86Å; F318-H322 PolarHBondContact O-CD2 2.94Å; F318-H322 VanDerWaalsContact O-CD2 3.27Å; F318-H322 PolarHBondContact O-N 3.29Å; D320-H322 PolarHBondContact O-N 3.1Å; H322-D324 VanDerWaalsContact C-N 3.34Å; H322-D324 PolarHBondContact O-N 3.49Å; H322-A325 PolarHBondContact O-N 3.02Å; H322-A325 VanDerWaalsContact O-N 3.16Å; H322-G326 PolarHBondContact O-N 2.8Å; H322-L327 HydrophobicContact CB-CB 4.14Å; H322-L327 PolarHBondContact O-N 2.69Å
323	A	97.3	Very high	97.8	Very high	61 Å²	61	49.9 Å²	49.9	50%	0.504	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-57.8	-44.8	179.6	0	0	0	0	0	112.3	N319 A325 G326	N319-A323 PolarHBondContact O-N 3.48Å; N319-A323 VanDerWaalsContact O-N 3.14Å; A323-A325 PolarHBondContact O-N 2.97Å; A323-G326 PolarHBondContact O-N 2.65Å
324	D	97.4	Very high	97.8	Very high	174 Å²	174	48.9 Å²	48.9	93%	0.93	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-67.5	-23.8	-179.5	-66.4	-22.6	0	0	0	112.9	H322 G326	H322-D324 VanDerWaalsContact C-N 3.34Å; H322-D324 PolarHBondContact O-N 3.49Å; D324-G326 PolarHBondContact O-N 3.17Å
325	A	98	Very high	97.7	Very high	13 Å²	13	49.8 Å²	49.8	11%	0.107	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-83	0.1	174.3	0	0	0	0	0	112.8	A124 D125 E128 H322 A323 L327	A124-A325 WeakPolarHBondContact CA-O 3.42Å; D125-A325 HydrophobicContact CB-CB 4.05Å; D125-A325 PolarHBondContact N-O 2.97Å; E128-A325 HydrophobicContact CB-CB 3.99Å; E128-A325 HydrophobicContact CG-CB 3.74Å; H322-A325 PolarHBondContact O-N 3.02Å; H322-A325 VanDerWaalsContact O-N 3.16Å; A323-A325 PolarHBondContact O-N 2.97Å; A325-L327 HydrophobicContact CB-CD1 4.3Å; A325-L327 HydrophobicContact CB-CG 4.19Å; A325-L327 PolarHBondContact O-N 2.87Å
326	G	97.5	Very high	97.6	Very high	24 Å²	24	50.4 Å²	50.4	25%	0.247	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	19.1	-176.9	0	0	0	0	0	114.1	Q123 H322 A323 D324	Q123-G326 WeakPolarHBondContact O-CA 3.21Å; H322-G326 PolarHBondContact O-N 2.8Å; A323-G326 PolarHBondContact O-N 2.65Å; D324-G326 PolarHBondContact O-N 3.17Å
327	L	98.2	Very high	97.5	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	26%	0.262	C	S	.	.			trans	-98.8	134.8	178.5	-60.5	177.8	0	0	0	110.1	Y117 A124 E128 L129 I132 H322 A325 L512	Y117-L327 HydrophobicContact CE1-CD2 4.37Å; A124-L327 HydrophobicContact CB-CD2 3.89Å; E128-L327 HydrophobicContact CB-CD1 4.43Å; E128-L327 HydrophobicContact CG-CD1 3.98Å; L129-L327 HydrophobicContact CB-CD1 4.31Å; L129-L327 HydrophobicContact CB-CD2 4.28Å; L129-L327 HydrophobicContact CD1-CD2 4.36Å; I132-L327 HydrophobicContact CD1-CD1 3.65Å; H322-L327 HydrophobicContact CB-CB 4.14Å; H322-L327 PolarHBondContact O-N 2.69Å; A325-L327 HydrophobicContact CB-CD1 4.3Å; A325-L327 HydrophobicContact CB-CG 4.19Å; A325-L327 PolarHBondContact O-N 2.87Å; L327-L512 HydrophobicContact CD1-CD2 4.35Å
328	K	98.1	Very high	97.4	Very high	113 Å²	113	42.5 Å²	42.5	49%	0.491	24%	0.244	S	C	.	.			trans	-148.6	132.2	-179.2	-173.1	-176.9	176.7	-175	0	110.5	N319 N330 Q509	N319-K328 WeakPolarHBondContact OD1-CA 3.02Å; K328-N330 PolarHBondContact O-N 3.45Å; K328-Q509 PolarHBondContact O-NE2 2.82Å; K328-Q509 PolarHBondContact O-OE1 2.95Å
329	I	98.6	Very high	97.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.262	C	S	.	.			trans	-76.2	115.6	164.9	-56.8	165.9	0	0	0	107.7	I161 Y315 F318 N319 V331 L512 A513 A516	I161-I329 HydrophobicContact CG1-CG2 4.22Å; Y315-I329 HydrophobicContact CD1-CD1 3.76Å; Y315-I329 HydrophobicContact CD1-CG2 4.31Å; Y315-I329 HydrophobicContact CG-CD1 4.22Å; Y315-I329 HydrophobicContact CG-CG2 4.15Å; F318-I329 HydrophobicContact CB-CD1 3.88Å; F318-I329 HydrophobicContact CD1-CD1 3.44Å; F318-I329 VanDerWaalsContact CD1-CD1 3.44Å; F318-I329 HydrophobicContact CD1-CG1 3.72Å; F318-I329 HydrophobicContact CD2-CD1 4.48Å; F318-I329 HydrophobicContact CE1-CD1 4.11Å; F318-I329 HydrophobicContact CE1-CG1 4.05Å; F318-I329 HydrophobicContact CG-CD1 3.67Å; F318-I329 HydrophobicContact CG-CG1 4.44Å; N319-I329 PolarHBondContact ND2-O 2.87Å; N319-I329 VanDerWaalsContact ND2-O 3.14Å; N319-I329 WeakPolarHBondContact OD1-CB 3.19Å; N319-I329 PolarHBondContact OD1-N 3.05Å; I329-V331 HydrophobicContact CG2-CG1 4.12Å; I329-L512 HydrophobicContact CD1-CB 4.31Å; I329-L512 HydrophobicContact CG1-CB 3.65Å; I329-A513 HydrophobicContact CG2-CB 4.23Å; I329-A516 HydrophobicContact CD1-CB 3.8Å
330	N	98	Very high	96.8	Very high	24 Å²	24	48.1 Å²	48.1	13%	0.128	27%	0.272	C	S	.	.			trans	-83.1	114.5	179.3	-60.3	-38.6	0	0	0	109.1	M159 V160 I161 K328 E505 Q509	M159-N330 WeakPolarHBondContact O-CB 3.34Å; M159-N330 PolarHBondContact O-ND2 2.88Å; V160-N330 CarbonylContact C-O 3.47Å; V160-N330 WeakPolarHBondContact CA-O 3.3Å; V160-N330 HydrophobicContact CG2-CB 4.14Å; I161-N330 PolarHBondContact N-O 3.5Å; K328-N330 PolarHBondContact O-N 3.45Å; N330-E505 PolarHBondContact ND2-OE1 3.17Å; N330-Q509 PolarHBondContact ND2-NE2 3.24Å
331	V	97.7	Very high	96.4	Very high	46 Å²	46	50.9 Å²	50.9	28%	0.279	28%	0.281	S	S	.	.			trans	-131.3	155.8	174.5	-67.4	0	0	0	0	109.4	I161 Y315 I329	I161-V331 HydrophobicContact CB-CG1 4.17Å; Y315-V331 HydrophobicContact CD2-CG1 3.75Å; Y315-V331 HydrophobicContact CE2-CG1 4.13Å; I329-V331 HydrophobicContact CG2-CG1 4.12Å
332	P	97	Very high	96.2	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.026	26%	0.263	C	S	.	.			trans	-59.2	158	168.1	-18.2	32.7	0	0	0	110.4	V160 I162 T334 Q392 I395 L409	V160-P332 VanDerWaalsContact CG1-CD 3.46Å; V160-P332 HydrophobicContact CG1-CG 3.9Å; I162-P332 HydrophobicContact CD1-CG 4.16Å; P332-T334 PolarHBondContact O-N 3.24Å; P332-T334 VanDerWaalsContact O-N 3.1Å; P332-T334 PolarHBondContact O-OG1 2.87Å; P332-Q392 HydrophobicContact CB-CB 4.46Å; P332-I395 HydrophobicContact CG-CD1 4.39Å; P332-I395 HydrophobicContact CG-CG1 4.46Å; P332-L409 HydrophobicContact CB-CD1 4.3Å; P332-L409 HydrophobicContact CG-CD1 4.42Å
333	Y	96.7	Very high	96.1	Very high	84 Å²	84	47.8 Å²	47.8	33%	0.329	26%	0.26	S	S	.	.			trans	-54.1	123.4	173.1	175.8	-103.1	0	0	0	109.3	L335 M350 Q392 S393 C405 P406	Y333-L335 HydrophobicContact CE1-CD1 4.33Å; Y333-L335 HydrophobicContact CE1-CD2 3.99Å; Y333-L335 HydrophobicContact CE1-CG 3.92Å; Y333-L335 WeakPolarHBondContact OH-CD2 3.24Å; Y333-M350 HydrophobicContact CD1-CE 3.91Å; Y333-M350 HydrophobicContact CE1-CE 3.62Å; Y333-Q392 CarbonylContact O-C 3.51Å; Y333-Q392 VanDerWaalsContact O-CA 3.28Å; Y333-Q392 WeakPolarHBondContact O-CA 3.45Å; Y333-S393 PolarHBondContact N-OG 3.33Å; Y333-S393 VanDerWaalsContact N-OG 3.11Å; Y333-S393 PolarHBondContact O-N 3.12Å; Y333-C405 HydrophobicContact CD1-CB 4.26Å; Y333-C405 HydrophobicContact CG-CB 4.5Å; Y333-P406 HydrophobicContact CD2-CB 4.42Å; Y333-P406 HydrophobicContact CD2-CG 4.04Å; Y333-P406 HydrophobicContact CE2-CG 4.02Å
334	T	96.9	Very high	96	Very high	20 Å²	20	48.8 Å²	48.8	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.3	-166.3	-65.6	0	0	0	0	110.5	A312 P332 I390 V391 Q392	A312-T334 HydrophobicContact CB-CG2 3.81Å; P332-T334 PolarHBondContact O-N 3.24Å; P332-T334 VanDerWaalsContact O-N 3.1Å; P332-T334 PolarHBondContact O-OG1 2.87Å; T334-I390 HydrophobicContact CG2-CD1 3.42Å; T334-I390 VanDerWaalsContact CG2-CD1 3.42Å; T334-I390 HydrophobicContact CG2-CG1 3.57Å; T334-V391 WeakPolarHBondContact CA-O 3.3Å; T334-Q392 HydrophobicContact CG2-CG 4.13Å; T334-Q392 PolarHBondContact OG1-NE2 3.27Å; T334-Q392 VanDerWaalsContact OG1-NE2 3.09Å
335	L	96.5	Very high	95.8	Very high	23 Å²	23	47.7 Å²	47.7	12%	0.12	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.1	170	-61.5	169.9	0	0	0	109.1	Y333 V338 Y346 M350 I390 V391	Y333-L335 HydrophobicContact CE1-CD1 4.33Å; Y333-L335 HydrophobicContact CE1-CD2 3.99Å; Y333-L335 HydrophobicContact CE1-CG 3.92Å; Y333-L335 WeakPolarHBondContact OH-CD2 3.24Å; L335-V338 HydrophobicContact CB-CG2 3.82Å; L335-Y346 HydrophobicContact CD1-CD1 3.38Å; L335-Y346 HydrophobicContact CD1-CD2 4Å; L335-Y346 HydrophobicContact CD1-CE1 3.36Å; L335-Y346 HydrophobicContact CD1-CE2 3.99Å; L335-Y346 HydrophobicContact CD1-CG 3.72Å; L335-Y346 HydrophobicContact CD2-CE1 4.43Å; L335-M350 HydrophobicContact CD1-CE 3.39Å; L335-M350 HydrophobicContact CG-CE 4.19Å; L335-I390 WeakPolarHBondContact O-CA 3.43Å; L335-V391 HydrophobicContact CB-CB 4.27Å; L335-V391 HydrophobicContact CD1-CB 4.46Å; L335-V391 PolarHBondContact N-O 3.36Å; L335-V391 PolarHBondContact O-N 2.68Å
336	T	96.3	Very high	95.7	Very high	25 Å²	25	50.3 Å²	50.3	15%	0.153	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	165.4	176.4	59.8	0	0	0	0	110.3	A312 K313 V338	A312-T336 HydrophobicContact CB-CG2 3.65Å; K313-T336 HydrophobicContact CG-CG2 4.38Å; T336-V338 PolarHBondContact O-N 3.02Å
337	D	95.2	Very high	95.6	Very high	52 Å²	52	49.1 Å²	49.1	28%	0.278	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.8	28.6	170.6	-44.1	-72.9	0	0	0	113.9	K313	K313-D337 WeakPolarHBondContact CE-OD1 3.49Å; K313-D337 WeakPolarHBondContact CE-OD2 3.28Å; K313-D337 VanDerWaalsContact NZ-CG 3.33Å; K313-D337 IonicContact NZ-OD1 3.76Å; K313-D337 PolarHBondContact NZ-OD1 2.76Å; K313-D337 IonicContact NZ-OD2 3.72Å; K313-D337 PolarHBondContact NZ-OD2 3.08Å; K313-D337 VanDerWaalsContact NZ-OD2 3.13Å
338	V	96.3	Very high	95.4	Very high	6 Å²	6	54.7 Å²	54.7	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.7	-176.9	-175.3	0	0	0	0	109.6	L335 T336 I343 Y346 Y389 V391	L335-V338 HydrophobicContact CB-CG2 3.82Å; T336-V338 PolarHBondContact O-N 3.02Å; V338-I343 HydrophobicContact CG1-CG1 3.9Å; V338-Y346 HydrophobicContact CG1-CD2 3.8Å; V338-Y346 HydrophobicContact CG1-CE2 3.98Å; V338-Y346 HydrophobicContact CG2-CD2 4.37Å; V338-Y346 HydrophobicContact CG2-CE2 4.11Å; V338-Y389 PolarHBondContact N-O 3.28Å; V338-Y389 WeakPolarHBondContact O-CD2 3.46Å; V338-Y389 PolarHBondContact O-N 2.86Å; V338-V391 HydrophobicContact CB-CG2 4.02Å; V338-V391 HydrophobicContact CG1-CG2 3.92Å; V338-V391 HydrophobicContact CG2-CB 4.31Å; V338-V391 HydrophobicContact CG2-CG2 3.91Å
339	T	94.2	Very high	95.2	Very high	62 Å²	62	56.7 Å²	56.7	38%	0.38	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	164.7	174.7	64.3	0	0	0	0	111.8	E341 G342 I343 D387	T339-E341 PolarHBondContact O-N 2.88Å; T339-G342 WeakPolarHBondContact O-CA 3.37Å; T339-G342 PolarHBondContact O-N 3.36Å; T339-G342 PolarHBondContact OG1-N 3.29Å; T339-I343 WeakPolarHBondContact O-CG1 3.16Å; T339-I343 PolarHBondContact O-N 2.66Å; T339-I343 VanDerWaalsContact O-N 3.08Å; T339-D387 WeakPolarHBondContact CA-O 3.41Å
340	K	90.1	Very high	95	Very high	85 Å²	85	57 Å²	57	37%	0.37	28%	0.275	S	S	.	.	H	α-helix	trans	-52.1	-40.5	174.3	-173.3	170.8	-177.9	177.4	0	112.7	I343 F380 Y389	K340-I343 PolarHBondContact O-N 2.84Å; K340-F380 HydrophobicContact CD-CD1 4.43Å; K340-F380 VanDerWaalsContact CE-CD1 3.46Å; K340-F380 HydrophobicContact CG-CD1 4.07Å; K340-F380 HydrophobicContact CG-CE1 3.73Å; K340-F380 PolarHBondContact NZ-O 2.86Å; K340-F380 WeakPolarHBondContact O-CE1 3.28Å; K340-Y389 HydrophobicContact CB-CE2 4.28Å
341	E	88.1	Confident	94.8	Very high	171 Å²	171	58.6 Å²	58.6	80%	0.799	28%	0.284	S	S	*	.	H	α-helix	trans	-65	-42.7	174.3	-172.9	-175.4	170.6	0	0	112	T339 I343 L344	T339-E341 PolarHBondContact O-N 2.88Å; E341-I343 PolarHBondContact O-N 3.03Å; E341-L344 PolarHBondContact O-N 2.78Å
342	G	94.7	Very high	94.7	Very high	14 Å²	14	58.3 Å²	58.3	14%	0.144	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-32.5	177.6	0	0	0	0	0	113.5	T339 L344 K345 Y346	T339-G342 WeakPolarHBondContact O-CA 3.37Å; T339-G342 PolarHBondContact O-N 3.36Å; T339-G342 PolarHBondContact OG1-N 3.29Å; G342-L344 VanDerWaalsContact C-N 3.34Å; G342-L344 PolarHBondContact O-N 3.05Å; G342-K345 PolarHBondContact O-N 3.31Å; G342-Y346 WeakPolarHBondContact O-CD2 3.3Å; G342-Y346 PolarHBondContact O-N 2.68Å
343	I	96.1	Very high	94.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-44.3	179.8	-68.8	172.6	0	0	0	111.6	V338 T339 K340 E341 K345 Y346 A347 M354 V356 L376 F379 F380 Y389 V391	V338-I343 HydrophobicContact CG1-CG1 3.9Å; T339-I343 WeakPolarHBondContact O-CG1 3.16Å; T339-I343 PolarHBondContact O-N 2.66Å; T339-I343 VanDerWaalsContact O-N 3.08Å; K340-I343 PolarHBondContact O-N 2.84Å; E341-I343 PolarHBondContact O-N 3.03Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 3.39Å; I343-Y346 PolarHBondContact O-N 2.83Å; I343-A347 WeakPolarHBondContact O-CB 3.36Å; I343-A347 PolarHBondContact O-N 3.24Å; I343-M354 HydrophobicContact CG2-CE 3.63Å; I343-V356 HydrophobicContact CD1-CG1 3.69Å; I343-V356 HydrophobicContact CD1-CG2 4.38Å; I343-V356 HydrophobicContact CG2-CG2 4Å; I343-L376 HydrophobicContact CG2-CD1 3.93Å; I343-F379 HydrophobicContact CB-CE1 4.37Å; I343-F379 HydrophobicContact CD1-CD1 4.46Å; I343-F379 HydrophobicContact CD1-CE1 3.37Å; I343-F379 HydrophobicContact CD1-CE2 4.19Å; I343-F379 HydrophobicContact CD1-CZ 3.2Å; I343-F379 HydrophobicContact CG1-CE1 4.45Å; I343-F379 HydrophobicContact CG2-CD1 4.17Å; I343-F379 HydrophobicContact CG2-CE1 3.94Å; I343-F380 HydrophobicContact CB-CZ 4.42Å; I343-F380 HydrophobicContact CG2-CZ 4.27Å; I343-Y389 HydrophobicContact CD1-CD1 4.24Å; I343-Y389 HydrophobicContact CD1-CD2 3.7Å; I343-Y389 HydrophobicContact CD1-CE2 4.09Å; I343-Y389 HydrophobicContact CD1-CG 3.78Å; I343-V391 HydrophobicContact CG1-CG2 4.41Å
344	L	93.7	Very high	94.5	Very high	81 Å²	81	54.5 Å²	54.5	42%	0.424	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-45.1	179.7	178.4	59.7	0	0	0	111.5	E341 G342 A347 Q348 L376 F380	E341-L344 PolarHBondContact O-N 2.78Å; G342-L344 VanDerWaalsContact C-N 3.34Å; G342-L344 PolarHBondContact O-N 3.05Å; L344-A347 WeakPolarHBondContact O-CB 3.32Å; L344-A347 PolarHBondContact O-N 3.41Å; L344-Q348 PolarHBondContact O-N 3.01Å; L344-L376 HydrophobicContact CD1-CD2 3.86Å; L344-F380 HydrophobicContact CB-CE2 4.31Å; L344-F380 HydrophobicContact CB-CZ 3.93Å; L344-F380 HydrophobicContact CD1-CE2 4.45Å
345	K	94.3	Very high	94.5	Very high	151 Å²	151	54.4 Å²	54.4	66%	0.657	26%	0.262	S	S	*	.	H	α-helix	trans	-62.8	-43.6	178.7	-177.6	178.9	-179.9	177.2	0	111.7	G342 I343 K349	G342-K345 PolarHBondContact O-N 3.31Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 3.39Å; K345-K349 PolarHBondContact O-N 2.86Å; K345-K349 VanDerWaalsContact O-N 3.17Å
346	Y	96.3	Very high	94.5	Very high	68 Å²	68	53.3 Å²	53.3	27%	0.267	26%	0.256	S	S	.	.	H	α-helix	trans	-70.9	-34.4	177.9	-72.3	-61.1	0	0	0	112.7	L335 V338 G342 I343 Q348 K349 M350	L335-Y346 HydrophobicContact CD1-CD1 3.38Å; L335-Y346 HydrophobicContact CD1-CD2 4Å; L335-Y346 HydrophobicContact CD1-CE1 3.36Å; L335-Y346 HydrophobicContact CD1-CE2 3.99Å; L335-Y346 HydrophobicContact CD1-CG 3.72Å; L335-Y346 HydrophobicContact CD2-CE1 4.43Å; V338-Y346 HydrophobicContact CG1-CD2 3.8Å; V338-Y346 HydrophobicContact CG1-CE2 3.98Å; V338-Y346 HydrophobicContact CG2-CD2 4.37Å; V338-Y346 HydrophobicContact CG2-CE2 4.11Å; G342-Y346 WeakPolarHBondContact O-CD2 3.3Å; G342-Y346 PolarHBondContact O-N 2.68Å; I343-Y346 PolarHBondContact O-N 2.83Å; Y346-Q348 VanDerWaalsContact C-N 3.31Å; Y346-Q348 PolarHBondContact O-N 3.49Å; Y346-K349 PolarHBondContact O-N 2.86Å; Y346-M350 HydrophobicContact CD1-CE 4.44Å; Y346-M350 VanDerWaalsContact O-CB 3.28Å; Y346-M350 WeakPolarHBondContact O-CB 3.37Å; Y346-M350 VanDerWaalsContact O-CG 3.3Å; Y346-M350 WeakPolarHBondContact O-CG 3.31Å; Y346-M350 PolarHBondContact O-N 3.41Å
347	A	95.5	Very high	94.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-54.8	-49.3	174.2	0	0	0	0	0	110.9	I343 L344 M350 N351 Y352 M354 L376	I343-A347 WeakPolarHBondContact O-CB 3.36Å; I343-A347 PolarHBondContact O-N 3.24Å; L344-A347 WeakPolarHBondContact O-CB 3.32Å; L344-A347 PolarHBondContact O-N 3.41Å; A347-M350 PolarHBondContact O-N 3.02Å; A347-N351 PolarHBondContact O-N 3.43Å; A347-Y352 HydrophobicContact CB-CD1 3.96Å; A347-Y352 HydrophobicContact CB-CE1 4.1Å; A347-Y352 WeakPolarHBondContact O-CA 3.43Å; A347-Y352 PolarHBondContact O-N 3.25Å; A347-M354 HydrophobicContact CB-CE 3.4Å; A347-M354 VanDerWaalsContact CB-CE 3.4Å; A347-M354 HydrophobicContact CB-SD 4.17Å; A347-L376 HydrophobicContact CB-CD1 3.96Å; A347-L376 HydrophobicContact CB-CD2 3.68Å; A347-L376 HydrophobicContact CB-CG 4.45Å
348	Q	92.8	Very high	94.4	Very high	120 Å²	120	50.8 Å²	50.8	56%	0.561	24%	0.242	S	C	*	.	H	α-helix	trans	-63.5	-45.6	178.2	-67.1	174.2	-16.2	0	0	111.9	L344 Y346 M350 N351	L344-Q348 PolarHBondContact O-N 3.01Å; Y346-Q348 VanDerWaalsContact C-N 3.31Å; Y346-Q348 PolarHBondContact O-N 3.49Å; Q348-M350 VanDerWaalsContact C-N 3.28Å; Q348-M350 PolarHBondContact O-N 3.37Å; Q348-N351 PolarHBondContact O-N 2.96Å
349	K	94	Very high	94.2	Very high	155 Å²	155	50.5 Å²	50.5	67%	0.674	24%	0.24	S	C	*	.	H	α-helix	trans	-64	-32.8	179.5	-174.9	177.3	177.6	-178.7	0	113	K345 Y346	K345-K349 PolarHBondContact O-N 2.86Å; K345-K349 VanDerWaalsContact O-N 3.17Å; Y346-K349 PolarHBondContact O-N 2.86Å
350	M	95.1	Very high	94.1	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.03	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	14.2	-177.2	-63.9	-175.6	172.9	0	0	113.3	Y333 L335 Y346 A347 Q348 Y352 Q353 M354 V391 S403	Y333-M350 HydrophobicContact CD1-CE 3.91Å; Y333-M350 HydrophobicContact CE1-CE 3.62Å; L335-M350 HydrophobicContact CD1-CE 3.39Å; L335-M350 HydrophobicContact CG-CE 4.19Å; Y346-M350 HydrophobicContact CD1-CE 4.44Å; Y346-M350 VanDerWaalsContact O-CB 3.28Å; Y346-M350 WeakPolarHBondContact O-CB 3.37Å; Y346-M350 VanDerWaalsContact O-CG 3.3Å; Y346-M350 WeakPolarHBondContact O-CG 3.31Å; Y346-M350 PolarHBondContact O-N 3.41Å; A347-M350 PolarHBondContact O-N 3.02Å; Q348-M350 VanDerWaalsContact C-N 3.28Å; Q348-M350 PolarHBondContact O-N 3.37Å; M350-Y352 PolarHBondContact O-N 2.96Å; M350-Q353 WeakPolarHBondContact O-CB 3.19Å; M350-Q353 PolarHBondContact O-N 3.04Å; M350-M354 HydrophobicContact SD-CB 3.91Å; M350-M354 HydrophobicContact SD-SD 4.46Å; M350-V391 HydrophobicContact CE-CG1 4.43Å; M350-V391 HydrophobicContact SD-CG1 4.06Å; M350-S403 CarbonylContact C-O 3.55Å; M350-S403 VanDerWaalsContact CA-O 3.24Å; M350-S403 WeakPolarHBondContact CA-O 3.27Å
351	N	93.8	Very high	93.7	Very high	57 Å²	57	45 Å²	45	31%	0.305	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	44.5	-176	-167	25.3	0	0	0	113.3	A347 Q348 Q353 E401 R402	A347-N351 PolarHBondContact O-N 3.43Å; Q348-N351 PolarHBondContact O-N 2.96Å; N351-Q353 PolarHBondContact O-N 3.5Å; N351-E401 VanDerWaalsContact ND2-CB 3.27Å; N351-E401 WeakPolarHBondContact ND2-CB 3.5Å; N351-E401 PolarHBondContact ND2-OE2 3.49Å; N351-R402 PolarHBondContact ND2-O 3.2Å
352	Y	94.5	Very high	93.2	Very high	40 Å²	40	37.6 Å²	37.6	16%	0.157	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	31.9	-177.3	-55.6	-93	0	0	0	113.1	A347 M350 I370 T371 K373 L376	A347-Y352 HydrophobicContact CB-CD1 3.96Å; A347-Y352 HydrophobicContact CB-CE1 4.1Å; A347-Y352 WeakPolarHBondContact O-CA 3.43Å; A347-Y352 PolarHBondContact O-N 3.25Å; M350-Y352 PolarHBondContact O-N 2.96Å; Y352-I370 CarbonylContact C-O 3.33Å; Y352-I370 CarbonylContact O-C 3.56Å; Y352-T371 CarbonylContact O-C 3.55Å; Y352-T371 VanDerWaalsContact O-C 3.24Å; Y352-T371 WeakPolarHBondContact O-CA 3.2Å; Y352-T371 PolarHBondContact O-N 3.35Å; Y352-K373 HydrophobicContact CD1-CG 4.11Å; Y352-K373 HydrophobicContact CE1-CG 3.62Å; Y352-K373 HydrophobicContact CE2-CG 4.29Å; Y352-K373 WeakPolarHBondContact OH-CE 3.34Å; Y352-L376 HydrophobicContact CD1-CD2 4.02Å; Y352-L376 HydrophobicContact CE1-CD2 3.69Å
353	Q	94.4	Very high	91.8	Very high	9 Å²	9	38 Å²	38	4%	0.042	18%	0.18	C	C	.	.			trans	-118.1	75.2	-179.3	-85.9	-175.4	86.4	0	0	110.5	M350 N351 I370 I394 E401	M350-Q353 WeakPolarHBondContact O-CB 3.19Å; M350-Q353 PolarHBondContact O-N 3.04Å; N351-Q353 PolarHBondContact O-N 3.5Å; Q353-I370 WeakPolarHBondContact CA-O 3.13Å; Q353-I394 HydrophobicContact CB-CG2 3.61Å; Q353-I394 HydrophobicContact CG-CG2 4.08Å; Q353-I394 PolarHBondContact O-N 3.48Å; Q353-E401 PolarHBondContact NE2-O 3.2Å; Q353-E401 PolarHBondContact OE1-O 3.37Å
354	M	96.1	Very high	90.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.2	-175.3	67.8	-176.9	-172.9	0	0	112.3	I343 A347 M350 V356 I370 L376 V391 Q392	I343-M354 HydrophobicContact CG2-CE 3.63Å; A347-M354 HydrophobicContact CB-CE 3.4Å; A347-M354 VanDerWaalsContact CB-CE 3.4Å; A347-M354 HydrophobicContact CB-SD 4.17Å; M350-M354 HydrophobicContact SD-CB 3.91Å; M350-M354 HydrophobicContact SD-SD 4.46Å; M354-V356 HydrophobicContact CE-CG2 3.94Å; M354-V356 HydrophobicContact SD-CG2 4.5Å; M354-I370 HydrophobicContact CE-CD1 3.46Å; M354-I370 VanDerWaalsContact CE-CD1 3.46Å; M354-I370 HydrophobicContact CG-CB 4.09Å; M354-I370 HydrophobicContact CG-CD1 4.27Å; M354-I370 PolarHBondContact N-O 3.23Å; M354-I370 PolarHBondContact O-N 2.67Å; M354-I370 VanDerWaalsContact O-O 3.13Å; M354-L376 HydrophobicContact CE-CD1 4.01Å; M354-V391 HydrophobicContact CB-CG1 3.94Å; M354-V391 HydrophobicContact CG-CG1 4.31Å; M354-V391 HydrophobicContact SD-CG1 3.79Å; M354-Q392 CarbonylContact C-O 3.52Å; M354-Q392 WeakPolarHBondContact CA-O 3.49Å
355	V	96.5	Very high	89.4	Confident	18 Å²	18	37.4 Å²	37.4	11%	0.109	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.2	172.2	-175.4	0	0	0	0	107.8	K357 V367 Y368 T369 V391 Q392 I394	V355-K357 HydrophobicContact CG1-CD 4.45Å; V355-K357 HydrophobicContact CG1-CG 3.93Å; V355-V367 HydrophobicContact CG1-CG1 3.66Å; V355-Y368 WeakPolarHBondContact CA-O 3.2Å; V355-T369 HydrophobicContact CG2-CG2 4.26Å; V355-V391 WeakPolarHBondContact O-CA 3.26Å; V355-Q392 PolarHBondContact N-O 2.97Å; V355-Q392 PolarHBondContact O-N 2.92Å; V355-I394 HydrophobicContact CG2-CB 4.42Å; V355-I394 HydrophobicContact CG2-CG1 4.18Å
356	V	96.4	Very high	88.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.8	172.6	-179.7	0	0	0	0	107.7	I343 M354 Y368 I370 F379 Y389 V391	I343-V356 HydrophobicContact CD1-CG1 3.69Å; I343-V356 HydrophobicContact CD1-CG2 4.38Å; I343-V356 HydrophobicContact CG2-CG2 4Å; M354-V356 HydrophobicContact CE-CG2 3.94Å; M354-V356 HydrophobicContact SD-CG2 4.5Å; V356-Y368 PolarHBondContact N-O 2.91Å; V356-Y368 PolarHBondContact O-N 3.23Å; V356-I370 HydrophobicContact CG2-CD1 3.63Å; V356-F379 HydrophobicContact CB-CE2 4.42Å; V356-F379 HydrophobicContact CG1-CD2 4.29Å; V356-F379 HydrophobicContact CG1-CE2 3.66Å; V356-F379 HydrophobicContact CG1-CZ 4.01Å; V356-Y389 HydrophobicContact CG1-CD1 3.72Å; V356-Y389 HydrophobicContact CG1-CE1 4.47Å; V356-Y389 HydrophobicContact CG1-CG 4.12Å; V356-V391 HydrophobicContact CG2-CG2 4.3Å
357	K	95.4	Very high	88.7	Confident	10 Å²	10	29 Å²	29	4%	0.043	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.1	175.2	-42	179.3	170.6	173	0	110.7	I162 K308 V355 P359 G366 V367 I390	I162-K357 PolarHBondContact O-NZ 3.33Å; K308-K357 HydrophobicContact CD-CB 4.07Å; K308-K357 HydrophobicContact CD-CD 3.83Å; V355-K357 HydrophobicContact CG1-CD 4.45Å; V355-K357 HydrophobicContact CG1-CG 3.93Å; K357-P359 WeakPolarHBondContact O-CD 3.07Å; K357-G366 CarbonylContact C-O 3.49Å; K357-G366 WeakPolarHBondContact CA-O 3.49Å; K357-V367 HydrophobicContact CB-CG2 4.49Å; K357-V367 HydrophobicContact CD-CG2 4.5Å; K357-V367 HydrophobicContact CG-CG1 4.2Å; K357-V367 HydrophobicContact CG-CG2 4.26Å; K357-I390 HydrophobicContact CB-CG2 3.59Å; K357-I390 HydrophobicContact CD-CG2 4.44Å; K357-I390 HydrophobicContact CG-CG2 4.23Å; K357-I390 PolarHBondContact N-O 2.96Å; K357-I390 WeakPolarHBondContact O-CG2 3.31Å; K357-I390 PolarHBondContact O-N 3.09Å; K357-I390 VanDerWaalsContact O-N 3.15Å
358	V	94	Very high	88.6	Confident	13 Å²	13	31.8 Å²	31.8	8%	0.079	17%	0.166	C	C	.	.			trans	-69.1	119.8	161.2	178.2	0	0	0	0	107.4	Y360 S361 G366 Y386 Y389	V358-Y360 HydrophobicContact CG1-CD2 4.33Å; V358-Y360 PolarHBondContact O-N 3.15Å; V358-Y360 VanDerWaalsContact O-N 3.12Å; V358-S361 WeakPolarHBondContact CG1-OG 3.43Å; V358-S361 PolarHBondContact O-N 3.19Å; V358-G366 PolarHBondContact N-O 2.96Å; V358-Y386 HydrophobicContact CG1-CD2 3.45Å; V358-Y386 VanDerWaalsContact CG1-CD2 3.45Å; V358-Y386 HydrophobicContact CG1-CE2 3.89Å; V358-Y386 HydrophobicContact CG1-CG 4.4Å; V358-Y389 HydrophobicContact CG2-CD1 4.34Å; V358-Y389 HydrophobicContact CG2-CE1 4.07Å
359	P	92.1	Very high	88.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.5	-169.4	-26.8	35.6	0	0	0	114.6	K308 L309 K357 K388	K308-P359 PolarHBondContact N-O 3.38Å; L309-P359 HydrophobicContact CB-CB 3.82Å; L309-P359 HydrophobicContact CB-CG 3.94Å; L309-P359 HydrophobicContact CD1-CG 4.34Å; K357-P359 WeakPolarHBondContact O-CD 3.07Å; P359-K388 WeakPolarHBondContact CD-O 3.5Å; P359-K388 WeakPolarHBondContact CG-O 3.46Å
360	Y	91.6	Very high	88.8	Confident	4 Å²	4	19.5 Å²	19.5	2%	0.016	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-16.6	-167.5	-40.2	-58.2	0	0	0	114.1	R306 V358 Y386 D540 D542 F545	R306-Y360 PolarHBondContact NE-O 3.06Å; R306-Y360 PolarHBondContact NH2-O 2.85Å; V358-Y360 HydrophobicContact CG1-CD2 4.33Å; V358-Y360 PolarHBondContact O-N 3.15Å; V358-Y360 VanDerWaalsContact O-N 3.12Å; Y360-Y386 AromaticContact CD2-CD1 3.54Å; Y360-Y386 HydrophobicContact CD2-CD1 3.54Å; Y360-Y386 AromaticContact CD2-CD2 3.75Å; Y360-Y386 HydrophobicContact CD2-CD2 3.75Å; Y360-Y386 AromaticContact CD2-CE1 3.59Å; Y360-Y386 HydrophobicContact CD2-CE1 3.59Å; Y360-Y386 AromaticContact CD2-CE2 3.78Å; Y360-Y386 HydrophobicContact CD2-CE2 3.78Å; Y360-Y386 AromaticContact CD2-CG 3.62Å; Y360-Y386 HydrophobicContact CD2-CG 3.62Å; Y360-Y386 AromaticContact CD2-CZ 3.7Å; Y360-Y386 AromaticContact CE2-CD1 3.52Å; Y360-Y386 HydrophobicContact CE2-CD1 3.52Å; Y360-Y386 HydrophobicContact CE2-CD2 4.26Å; Y360-Y386 AromaticContact CE2-CE1 3.99Å; Y360-Y386 HydrophobicContact CE2-CE1 3.99Å; Y360-Y386 AromaticContact CE2-CG 3.67Å; Y360-Y386 HydrophobicContact CE2-CG 3.67Å; Y360-D540 WeakPolarHBondContact CE1-OD2 2.97Å; Y360-D540 PolarHBondContact OH-OD1 3.46Å; Y360-D540 PolarHBondContact OH-OD2 3.11Å; Y360-D542 HydrophobicContact CE2-CB 4.42Å; Y360-D542 WeakPolarHBondContact OH-CB 3.12Å; Y360-F545 AromaticContact CD1-CD1 3.85Å; Y360-F545 HydrophobicContact CD1-CD1 3.85Å; Y360-F545 AromaticContact CD1-CD2 3.6Å; Y360-F545 HydrophobicContact CD1-CD2 3.6Å; Y360-F545 AromaticContact CD1-CE1 3.78Å; Y360-F545 HydrophobicContact CD1-CE1 3.78Å; Y360-F545 AromaticContact CD1-CE2 3.56Å; Y360-F545 HydrophobicContact CD1-CE2 3.56Å; Y360-F545 AromaticContact CD1-CG 3.74Å; Y360-F545 HydrophobicContact CD1-CG 3.74Å; Y360-F545 AromaticContact CD1-CZ 3.63Å; Y360-F545 HydrophobicContact CD1-CZ 3.63Å; Y360-F545 HydrophobicContact CD2-CB 4.12Å; Y360-F545 HydrophobicContact CD2-CD2 4.06Å; Y360-F545 HydrophobicContact CD2-CG 4.11Å; Y360-F545 HydrophobicContact CE1-CB 4.11Å; Y360-F545 AromaticContact CE1-CD1 3.27Å; Y360-F545 HydrophobicContact CE1-CD1 3.27Å; Y360-F545 AromaticContact CE1-CD2 3.86Å; Y360-F545 HydrophobicContact CE1-CD2 3.86Å; Y360-F545 AromaticContact CE1-CE1 3.45Å; Y360-F545 HydrophobicContact CE1-CE1 3.45Å; Y360-F545 VanDerWaalsContact CE1-CE1 3.45Å; Y360-F545 HydrophobicContact CE1-CE2 4.04Å; Y360-F545 AromaticContact CE1-CG 3.47Å; Y360-F545 HydrophobicContact CE1-CG 3.47Å; Y360-F545 VanDerWaalsContact CE1-CG 3.47Å; Y360-F545 AromaticContact CE1-CZ 3.84Å; Y360-F545 HydrophobicContact CE1-CZ 3.84Å; Y360-F545 HydrophobicContact CE2-CB 3.63Å; Y360-F545 HydrophobicContact CE2-CD1 4.37Å; Y360-F545 HydrophobicContact CE2-CD2 4.3Å; Y360-F545 AromaticContact CE2-CG 3.87Å; Y360-F545 HydrophobicContact CE2-CG 3.87Å; Y360-F545 AromaticContact CG-CD2 3.71Å; Y360-F545 HydrophobicContact CG-CD2 3.71Å; Y360-F545 AromaticContact CG-CE2 3.96Å; Y360-F545 HydrophobicContact CG-CE2 3.96Å; Y360-F545 HydrophobicContact CG-CG 4.06Å; Y360-F545 HydrophobicContact CG-CZ 4.48Å; Y360-F545 AromaticContact CZ-CD1 3.58Å; Y360-F545 AromaticContact CZ-CG 3.54Å
361	S	82.1	Confident	88.7	Confident	27 Å²	27	20.6 Å²	20.6	19%	0.189	12%	0.119	C	C	.	.			trans	-75.8	158.9	-171.4	-63.6	0	0	0	0	114.1	R306 K308 V358 V365	R306-S361 PolarHBondContact NE-O 3.41Å; R306-S361 VanDerWaalsContact NE-O 3.14Å; K308-S361 PolarHBondContact NZ-O 2.55Å; K308-S361 VanDerWaalsContact NZ-O 3.11Å; V358-S361 WeakPolarHBondContact CG1-OG 3.43Å; V358-S361 PolarHBondContact O-N 3.19Å; S361-V365 WeakPolarHBondContact CB-O 3.19Å
362	N	77.7	Confident	88.7	Confident	17 Å²	17	19.2 Å²	19.2	9%	0.091	11%	0.114	C	C	.	.			trans	-114.4	172	175.9	-146	-4.1	0	0	0	113.5	R306 G364 V365	R306-N362 VanDerWaalsContact NH1-CB 3.3Å; R306-N362 PolarHBondContact NH1-ND2 2.81Å; R306-N362 PolarHBondContact NH1-OD1 3.26Å; N362-G364 PolarHBondContact O-N 2.63Å; N362-G364 VanDerWaalsContact O-N 3.17Å; N362-V365 VanDerWaalsContact O-CB 3.3Å; N362-V365 WeakPolarHBondContact O-CB 3.46Å; N362-V365 PolarHBondContact O-N 2.72Å
363	C	65.2	Low	88.7	Confident	21 Å²	21	24.2 Å²	24.2	14%	0.142	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	31.7	158	-62.8	0	0	0	0	112.8	V365 N469	C363-V365 PolarHBondContact O-N 2.95Å; C363-N469 WeakPolarHBondContact CA-ND2 3.44Å; C363-N469 PolarHBondContact O-ND2 2.79Å
364	G	61.6	Low	88.7	Confident	21 Å²	21	28.7 Å²	28.7	22%	0.216	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-5.5	-177.8	0	0	0	0	0	114	N362 V367 N469	N362-G364 PolarHBondContact O-N 2.63Å; N362-G364 VanDerWaalsContact O-N 3.17Å; G364-V367 PolarHBondContact O-N 3.19Å; G364-N469 PolarHBondContact N-ND2 3.24Å; G364-N469 VanDerWaalsContact N-ND2 3.12Å
365	V	77.6	Confident	88.7	Confident	49 Å²	49	29.4 Å²	29.4	30%	0.297	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	135	173.8	-176.5	0	0	0	0	108.9	S361 N362 C363 V367 D475	S361-V365 WeakPolarHBondContact CB-O 3.19Å; N362-V365 VanDerWaalsContact O-CB 3.3Å; N362-V365 WeakPolarHBondContact O-CB 3.46Å; N362-V365 PolarHBondContact O-N 2.72Å; C363-V365 PolarHBondContact O-N 2.95Å; V365-V367 VanDerWaalsContact C-N 3.29Å; V365-V367 PolarHBondContact O-N 3.02Å; V365-D475 WeakPolarHBondContact CG2-O 3.28Å
366	G	84	Confident	88.7	Confident	12 Å²	12	29 Å²	29	12%	0.124	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	21.3	-177.4	0	0	0	0	0	113.8	K357 V358	K357-G366 CarbonylContact C-O 3.49Å; K357-G366 WeakPolarHBondContact CA-O 3.49Å; V358-G366 PolarHBondContact N-O 2.96Å
367	V	91.4	Very high	88.6	Confident	31 Å²	31	33.7 Å²	33.7	19%	0.188	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.1	168	-177.5	0	0	0	0	108.3	V355 K357 G364 V365 W463	V355-V367 HydrophobicContact CG1-CG1 3.66Å; K357-V367 HydrophobicContact CB-CG2 4.49Å; K357-V367 HydrophobicContact CD-CG2 4.5Å; K357-V367 HydrophobicContact CG-CG1 4.2Å; K357-V367 HydrophobicContact CG-CG2 4.26Å; G364-V367 PolarHBondContact O-N 3.19Å; V365-V367 VanDerWaalsContact C-N 3.29Å; V365-V367 PolarHBondContact O-N 3.02Å; V367-W463 HydrophobicContact CB-CH2 3.97Å; V367-W463 HydrophobicContact CB-CZ3 3.89Å; V367-W463 HydrophobicContact CG1-CH2 4.01Å; V367-W463 HydrophobicContact CG1-CZ3 3.55Å
368	Y	93.9	Very high	88.5	Confident	58 Å²	58	37.1 Å²	37.1	23%	0.227	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.5	-179.2	-56.5	-97	0	0	0	108.5	V355 V356 F379 A382	V355-Y368 WeakPolarHBondContact CA-O 3.2Å; V356-Y368 PolarHBondContact N-O 2.91Å; V356-Y368 PolarHBondContact O-N 3.23Å; Y368-F379 HydrophobicContact CD1-CB 4.12Å; Y368-F379 AromaticContact CD1-CD2 3.85Å; Y368-F379 HydrophobicContact CD1-CD2 3.85Å; Y368-F379 AromaticContact CD2-CD2 3.53Å; Y368-F379 HydrophobicContact CD2-CD2 3.53Å; Y368-F379 AromaticContact CD2-CE2 3.91Å; Y368-F379 HydrophobicContact CD2-CE2 3.91Å; Y368-F379 HydrophobicContact CE1-CD2 4.08Å; Y368-F379 AromaticContact CE2-CD2 3.78Å; Y368-F379 HydrophobicContact CE2-CD2 3.78Å; Y368-F379 AromaticContact CE2-CE2 3.97Å; Y368-F379 HydrophobicContact CE2-CE2 3.97Å; Y368-F379 HydrophobicContact CG-CB 4.38Å; Y368-F379 AromaticContact CG-CD2 3.57Å; Y368-F379 HydrophobicContact CG-CD2 3.57Å; Y368-F379 HydrophobicContact CG-CE2 4.39Å; Y368-F379 HydrophobicContact CG-CG 4.44Å; Y368-A382 HydrophobicContact CE1-CB 4.19Å
369	T	95.1	Very high	88.5	Confident	16 Å²	16	36.5 Å²	36.5	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.5	168.5	46.7	0	0	0	0	108	V355 S462 W463 L466	V355-T369 HydrophobicContact CG2-CG2 4.26Å; T369-S462 WeakPolarHBondContact CB-OG 3.34Å; T369-S462 PolarHBondContact O-OG 2.98Å; T369-S462 PolarHBondContact OG1-OG 2.93Å; T369-W463 HydrophobicContact CG2-CE3 3.88Å; T369-W463 HydrophobicContact CG2-CZ3 4.21Å; T369-W463 PolarHBondContact OG1-N 2.71Å; T369-L466 HydrophobicContact CG2-CB 4.27Å; T369-L466 HydrophobicContact CG2-CD1 3.99Å
370	I	95.4	Very high	88.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.2	179.5	-61	168.8	0	0	0	106	Y352 Q353 M354 V356 L376	Y352-I370 CarbonylContact C-O 3.33Å; Y352-I370 CarbonylContact O-C 3.56Å; Q353-I370 WeakPolarHBondContact CA-O 3.13Å; M354-I370 HydrophobicContact CE-CD1 3.46Å; M354-I370 VanDerWaalsContact CE-CD1 3.46Å; M354-I370 HydrophobicContact CG-CB 4.09Å; M354-I370 HydrophobicContact CG-CD1 4.27Å; M354-I370 PolarHBondContact N-O 3.23Å; M354-I370 PolarHBondContact O-N 2.67Å; M354-I370 VanDerWaalsContact O-O 3.13Å; V356-I370 HydrophobicContact CG2-CD1 3.63Å; I370-L376 HydrophobicContact CD1-CD1 3.85Å; I370-L376 HydrophobicContact CG2-CB 4.04Å
371	T	94.6	Very high	88.7	Confident	29 Å²	29	43.9 Å²	43.9	18%	0.178	23%	0.232	C	C	.	.	S	Bend	trans	-124.6	-12.3	174.9	63.2	0	0	0	0	112	Y352 E375 I394 W400 S462 L466	Y352-T371 CarbonylContact O-C 3.55Å; Y352-T371 VanDerWaalsContact O-C 3.24Å; Y352-T371 WeakPolarHBondContact O-CA 3.2Å; Y352-T371 PolarHBondContact O-N 3.35Å; T371-E375 WeakPolarHBondContact CA-OE2 3.48Å; T371-E375 WeakPolarHBondContact CB-OE2 3.47Å; T371-E375 PolarHBondContact N-OE2 2.92Å; T371-E375 PolarHBondContact OG1-OE2 2.95Å; T371-I394 HydrophobicContact CG2-CD1 3.63Å; T371-W400 HydrophobicContact CG2-CH2 4.29Å; T371-W400 HydrophobicContact CG2-CZ3 4.1Å; T371-S462 VanDerWaalsContact CG2-CB 3.49Å; T371-L466 HydrophobicContact CG2-CD1 4.43Å
372	C	93.5	Very high	89	Confident	28 Å²	28	44 Å²	44	19%	0.189	23%	0.234	C	C	.	.	S	Bend	trans	-151.4	171.4	178.4	70	0	0	0	0	112.1	E374 E375 L376	C372-E374 VanDerWaalsContact C-N 3.28Å; C372-E374 PolarHBondContact O-N 3.39Å; C372-E375 PolarHBondContact O-N 2.73Å; C372-L376 PolarHBondContact O-N 2.79Å
373	K	94.3	Very high	89.4	Confident	145 Å²	145	46.7 Å²	46.7	63%	0.63	27%	0.267	S	S	*	.	H	α-helix	trans	-62.3	-32.6	178.1	-70	-180	178.9	178.8	0	113.6	Y352 L376 Q377	Y352-K373 HydrophobicContact CD1-CG 4.11Å; Y352-K373 HydrophobicContact CE1-CG 3.62Å; Y352-K373 HydrophobicContact CE2-CG 4.29Å; Y352-K373 WeakPolarHBondContact OH-CE 3.34Å; K373-L376 WeakPolarHBondContact O-CB 3.26Å; K373-L376 PolarHBondContact O-N 3.09Å; K373-Q377 PolarHBondContact O-N 3.18Å
374	E	94.8	Very high	90.5	Very high	104 Å²	104	48 Å²	48	49%	0.486	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-44.5	179	-175.2	-176.7	168.1	0	0	111.3	C372 L376 Q377 N378	C372-E374 VanDerWaalsContact C-N 3.28Å; C372-E374 PolarHBondContact O-N 3.39Å; E374-L376 VanDerWaalsContact C-N 3.31Å; E374-L376 PolarHBondContact O-N 3.04Å; E374-Q377 WeakPolarHBondContact O-CB 3.39Å; E374-Q377 PolarHBondContact O-N 3.01Å; E374-Q377 VanDerWaalsContact O-N 3.16Å; E374-N378 VanDerWaalsContact O-CG 3.25Å; E374-N378 PolarHBondContact O-N 3.2Å; E374-N378 PolarHBondContact O-ND2 3.46Å
375	E	95.8	Very high	91.9	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.065	29%	0.286	C	S	.	.	H	α-helix	trans	-66.9	-34.6	176.6	-68.4	176.8	145.2	0	0	112.4	T371 C372 Q377 N378 F379 R461 S462	T371-E375 WeakPolarHBondContact CA-OE2 3.48Å; T371-E375 WeakPolarHBondContact CB-OE2 3.47Å; T371-E375 PolarHBondContact N-OE2 2.92Å; T371-E375 PolarHBondContact OG1-OE2 2.95Å; C372-E375 PolarHBondContact O-N 2.73Å; E375-Q377 VanDerWaalsContact C-N 3.35Å; E375-N378 PolarHBondContact O-N 2.83Å; E375-F379 PolarHBondContact O-N 2.85Å; E375-R461 PolarHBondContact OE1-N 2.89Å; E375-S462 WeakPolarHBondContact OE1-CA 3.24Å; E375-S462 WeakPolarHBondContact OE1-CB 3.35Å; E375-S462 PolarHBondContact OE1-N 3.39Å; E375-S462 PolarHBondContact OE1-OG 2.84Å; E375-S462 PolarHBondContact OE2-OG 2.93Å
376	L	95.7	Very high	92.6	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-42.8	171.6	-178.7	67.7	0	0	0	111.2	I343 L344 A347 Y352 M354 I370 C372 K373 E374 F379 F380	I343-L376 HydrophobicContact CG2-CD1 3.93Å; L344-L376 HydrophobicContact CD1-CD2 3.86Å; A347-L376 HydrophobicContact CB-CD1 3.96Å; A347-L376 HydrophobicContact CB-CD2 3.68Å; A347-L376 HydrophobicContact CB-CG 4.45Å; Y352-L376 HydrophobicContact CD1-CD2 4.02Å; Y352-L376 HydrophobicContact CE1-CD2 3.69Å; M354-L376 HydrophobicContact CE-CD1 4.01Å; I370-L376 HydrophobicContact CD1-CD1 3.85Å; I370-L376 HydrophobicContact CG2-CB 4.04Å; C372-L376 PolarHBondContact O-N 2.79Å; K373-L376 WeakPolarHBondContact O-CB 3.26Å; K373-L376 PolarHBondContact O-N 3.09Å; E374-L376 VanDerWaalsContact C-N 3.31Å; E374-L376 PolarHBondContact O-N 3.04Å; L376-F379 WeakPolarHBondContact O-CB 3.37Å; L376-F379 PolarHBondContact O-N 2.89Å; L376-F380 HydrophobicContact CD1-CD2 4.16Å; L376-F380 HydrophobicContact CD1-CE2 3.56Å; L376-F380 HydrophobicContact CD1-CZ 4.37Å; L376-F380 HydrophobicContact CD2-CE2 4.21Å; L376-F380 HydrophobicContact CG-CD2 3.97Å; L376-F380 HydrophobicContact CG-CE2 3.65Å; L376-F380 WeakPolarHBondContact O-CD2 3.45Å; L376-F380 PolarHBondContact O-N 2.96Å; L376-F380 VanDerWaalsContact O-N 3.09Å
377	Q	94.7	Very high	93	Very high	99 Å²	99	53.8 Å²	53.8	46%	0.463	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-44.7	176.7	-170.4	59.8	49.7	0	0	111.2	K373 E374 E375 F379 F380 D381	K373-Q377 PolarHBondContact O-N 3.18Å; E374-Q377 WeakPolarHBondContact O-CB 3.39Å; E374-Q377 PolarHBondContact O-N 3.01Å; E374-Q377 VanDerWaalsContact O-N 3.16Å; E375-Q377 VanDerWaalsContact C-N 3.35Å; Q377-F379 PolarHBondContact O-N 3.46Å; Q377-F380 WeakPolarHBondContact O-CA 3.49Å; Q377-F380 PolarHBondContact O-N 2.82Å; Q377-D381 PolarHBondContact NE2-OD1 3.36Å; Q377-D381 VanDerWaalsContact O-CG 3.24Å; Q377-D381 PolarHBondContact O-N 3.45Å
378	N	93.1	Very high	93.1	Very high	82 Å²	82	53.9 Å²	53.9	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-57.6	-36.4	174.7	-67.9	-19	0	0	0	112.2	E374 E375 A382	E374-N378 VanDerWaalsContact O-CG 3.25Å; E374-N378 PolarHBondContact O-N 3.2Å; E374-N378 PolarHBondContact O-ND2 3.46Å; E375-N378 PolarHBondContact O-N 2.83Å; N378-A382 PolarHBondContact O-N 2.9Å
379	F	94	Very high	93.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-49.3	170.5	167.2	-94.6	0	0	0	111	I343 V356 Y368 E375 L376 Q377 D381 A382 H384 Y389	I343-F379 HydrophobicContact CB-CE1 4.37Å; I343-F379 HydrophobicContact CD1-CD1 4.46Å; I343-F379 HydrophobicContact CD1-CE1 3.37Å; I343-F379 HydrophobicContact CD1-CE2 4.19Å; I343-F379 HydrophobicContact CD1-CZ 3.2Å; I343-F379 HydrophobicContact CG1-CE1 4.45Å; I343-F379 HydrophobicContact CG2-CD1 4.17Å; I343-F379 HydrophobicContact CG2-CE1 3.94Å; V356-F379 HydrophobicContact CB-CE2 4.42Å; V356-F379 HydrophobicContact CG1-CD2 4.29Å; V356-F379 HydrophobicContact CG1-CE2 3.66Å; V356-F379 HydrophobicContact CG1-CZ 4.01Å; Y368-F379 HydrophobicContact CD1-CB 4.12Å; Y368-F379 AromaticContact CD1-CD2 3.85Å; Y368-F379 HydrophobicContact CD1-CD2 3.85Å; Y368-F379 AromaticContact CD2-CD2 3.53Å; Y368-F379 HydrophobicContact CD2-CD2 3.53Å; Y368-F379 AromaticContact CD2-CE2 3.91Å; Y368-F379 HydrophobicContact CD2-CE2 3.91Å; Y368-F379 HydrophobicContact CE1-CD2 4.08Å; Y368-F379 AromaticContact CE2-CD2 3.78Å; Y368-F379 HydrophobicContact CE2-CD2 3.78Å; Y368-F379 AromaticContact CE2-CE2 3.97Å; Y368-F379 HydrophobicContact CE2-CE2 3.97Å; Y368-F379 HydrophobicContact CG-CB 4.38Å; Y368-F379 AromaticContact CG-CD2 3.57Å; Y368-F379 HydrophobicContact CG-CD2 3.57Å; Y368-F379 HydrophobicContact CG-CE2 4.39Å; Y368-F379 HydrophobicContact CG-CG 4.44Å; E375-F379 PolarHBondContact O-N 2.85Å; L376-F379 WeakPolarHBondContact O-CB 3.37Å; L376-F379 PolarHBondContact O-N 2.89Å; Q377-F379 PolarHBondContact O-N 3.46Å; F379-D381 VanDerWaalsContact C-N 3.32Å; F379-D381 PolarHBondContact O-N 3.4Å; F379-A382 WeakPolarHBondContact O-CB 3.34Å; F379-A382 PolarHBondContact O-N 3Å; F379-H384 AromaticContact CD2-CE1 3.6Å; F379-H384 AromaticContact CE2-CE1 3.17Å; F379-H384 WeakPolarHBondContact CE2-CE1 3.37Å; F379-H384 AromaticContact CE2-ND1 3.92Å; F379-H384 AromaticContact CE2-NE2 3.79Å; F379-H384 AromaticContact CZ-CE1 3.57Å; F379-H384 AromaticContact CZ-NE2 3.82Å; F379-H384 PolarHBondContact O-CE1 2.88Å; F379-H384 PolarHBondContact O-NE2 3.2Å; F379-Y389 HydrophobicContact CE2-CD1 4.3Å; F379-Y389 AromaticContact CE2-CE1 3.79Å; F379-Y389 HydrophobicContact CE2-CE1 3.79Å; F379-Y389 HydrophobicContact CZ-CD1 4.24Å; F379-Y389 AromaticContact CZ-CE1 3.7Å; F379-Y389 HydrophobicContact CZ-CE1 3.7Å; F379-Y389 HydrophobicContact CZ-CE2 4.39Å; F379-Y389 AromaticContact CZ-CZ 3.78Å
380	F	94.1	Very high	93.2	Very high	46 Å²	46	50.6 Å²	50.6	20%	0.202	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-33.7	-178.4	-78.6	-65	0	0	0	114.2	K340 I343 L344 L376 Q377 A382	K340-F380 HydrophobicContact CD-CD1 4.43Å; K340-F380 VanDerWaalsContact CE-CD1 3.46Å; K340-F380 HydrophobicContact CG-CD1 4.07Å; K340-F380 HydrophobicContact CG-CE1 3.73Å; K340-F380 PolarHBondContact NZ-O 2.86Å; K340-F380 WeakPolarHBondContact O-CE1 3.28Å; I343-F380 HydrophobicContact CB-CZ 4.42Å; I343-F380 HydrophobicContact CG2-CZ 4.27Å; L344-F380 HydrophobicContact CB-CE2 4.31Å; L344-F380 HydrophobicContact CB-CZ 3.93Å; L344-F380 HydrophobicContact CD1-CE2 4.45Å; L376-F380 HydrophobicContact CD1-CD2 4.16Å; L376-F380 HydrophobicContact CD1-CE2 3.56Å; L376-F380 HydrophobicContact CD1-CZ 4.37Å; L376-F380 HydrophobicContact CD2-CE2 4.21Å; L376-F380 HydrophobicContact CG-CD2 3.97Å; L376-F380 HydrophobicContact CG-CE2 3.65Å; L376-F380 WeakPolarHBondContact O-CD2 3.45Å; L376-F380 PolarHBondContact O-N 2.96Å; L376-F380 VanDerWaalsContact O-N 3.09Å; Q377-F380 WeakPolarHBondContact O-CA 3.49Å; Q377-F380 PolarHBondContact O-N 2.82Å; F380-A382 VanDerWaalsContact C-N 3.3Å
381	D	93.2	Very high	93.3	Very high	113 Å²	113	50.6 Å²	50.6	60%	0.604	28%	0.278	S	S	*	.	H	α-helix	trans	-75.7	-19.7	178.3	-64.6	-14.8	0	0	0	112.4	Q377 F379	Q377-D381 PolarHBondContact NE2-OD1 3.36Å; Q377-D381 VanDerWaalsContact O-CG 3.24Å; Q377-D381 PolarHBondContact O-N 3.45Å; F379-D381 VanDerWaalsContact C-N 3.32Å; F379-D381 PolarHBondContact O-N 3.4Å
382	A	88.7	Confident	93.4	Very high	28 Å²	28	49.9 Å²	49.9	23%	0.231	27%	0.272	C	S	.	.	S	Bend	trans	-67.5	145.5	173.5	0	0	0	0	0	111.2	Y368 N378 F379 F380 H384	Y368-A382 HydrophobicContact CE1-CB 4.19Å; N378-A382 PolarHBondContact O-N 2.9Å; F379-A382 WeakPolarHBondContact O-CB 3.34Å; F379-A382 PolarHBondContact O-N 3Å; F380-A382 VanDerWaalsContact C-N 3.3Å; A382-H384 PolarHBondContact O-CD2 2.93Å; A382-H384 PolarHBondContact O-NE2 3.24Å
383	G	86.4	Confident	93.5	Very high	75 Å²	75	48.7 Å²	48.7	77%	0.773	27%	0.265	S	S	*	.			trans	-68	131	168.5	0	0	0	0	0	110.6
384	H	89.5	Confident	93.6	Very high	49 Å²	49	42 Å²	42	23%	0.227	24%	0.235	C	C	.	.			trans	-120.8	139.7	177.7	-62.4	-74.8	0	0	0	110.6	F379 A382 Y389	F379-H384 AromaticContact CD2-CE1 3.6Å; F379-H384 AromaticContact CE2-CE1 3.17Å; F379-H384 WeakPolarHBondContact CE2-CE1 3.37Å; F379-H384 AromaticContact CE2-ND1 3.92Å; F379-H384 AromaticContact CE2-NE2 3.79Å; F379-H384 AromaticContact CZ-CE1 3.57Å; F379-H384 AromaticContact CZ-NE2 3.82Å; F379-H384 PolarHBondContact O-CE1 2.88Å; F379-H384 PolarHBondContact O-NE2 3.2Å; A382-H384 PolarHBondContact O-CD2 2.93Å; A382-H384 PolarHBondContact O-NE2 3.24Å; H384-Y389 WeakPolarHBondContact CB-OH 3.4Å; H384-Y389 AromaticContact ND1-CE1 3.84Å; H384-Y389 AromaticContact ND1-CZ 3.82Å; H384-Y389 PolarHBondContact ND1-OH 3.29Å
385	T	89.9	Confident	93.7	Very high	88 Å²	88	37.5 Å²	37.5	54%	0.54	22%	0.215	S	C	.	.			trans	-103.1	-28	-179.2	-55.3	0	0	0	0	112.8	T544	T385-T544 HydrophobicContact CG2-CG2 3.86Å; T385-T544 WeakPolarHBondContact O-CG2 3.44Å; T385-T544 PolarHBondContact O-OG1 2.75Å
386	Y	93.1	Very high	93.6	Very high	18 Å²	18	36.8 Å²	36.8	7%	0.071	21%	0.211	C	C	.	.			trans	-112.1	155.1	-174.5	-55.8	-74.7	0	0	0	110	V358 Y360 Y389 D542 T544 F545 E548	V358-Y386 HydrophobicContact CG1-CD2 3.45Å; V358-Y386 VanDerWaalsContact CG1-CD2 3.45Å; V358-Y386 HydrophobicContact CG1-CE2 3.89Å; V358-Y386 HydrophobicContact CG1-CG 4.4Å; Y360-Y386 AromaticContact CD2-CD1 3.54Å; Y360-Y386 HydrophobicContact CD2-CD1 3.54Å; Y360-Y386 AromaticContact CD2-CD2 3.75Å; Y360-Y386 HydrophobicContact CD2-CD2 3.75Å; Y360-Y386 AromaticContact CD2-CE1 3.59Å; Y360-Y386 HydrophobicContact CD2-CE1 3.59Å; Y360-Y386 AromaticContact CD2-CE2 3.78Å; Y360-Y386 HydrophobicContact CD2-CE2 3.78Å; Y360-Y386 AromaticContact CD2-CG 3.62Å; Y360-Y386 HydrophobicContact CD2-CG 3.62Å; Y360-Y386 AromaticContact CD2-CZ 3.7Å; Y360-Y386 AromaticContact CE2-CD1 3.52Å; Y360-Y386 HydrophobicContact CE2-CD1 3.52Å; Y360-Y386 HydrophobicContact CE2-CD2 4.26Å; Y360-Y386 AromaticContact CE2-CE1 3.99Å; Y360-Y386 HydrophobicContact CE2-CE1 3.99Å; Y360-Y386 AromaticContact CE2-CG 3.67Å; Y360-Y386 HydrophobicContact CE2-CG 3.67Å; Y386-Y389 PolarHBondContact O-OH 3.41Å; Y386-D542 WeakPolarHBondContact CB-OD2 3.4Å; Y386-T544 HydrophobicContact CD1-CG2 4.04Å; Y386-T544 HydrophobicContact CE1-CG2 4.03Å; Y386-F545 HydrophobicContact CD1-CB 4.04Å; Y386-F545 HydrophobicContact CE1-CB 3.95Å; Y386-E548 PolarHBondContact OH-OE1 3.47Å; Y386-E548 PolarHBondContact OH-OE2 3.25Å
387	D	91.6	Very high	93.6	Very high	96 Å²	96	36.7 Å²	36.7	51%	0.513	21%	0.211	S	C	.	.	S	Bend	trans	-98.6	-22.3	-177	-71.1	-33.6	0	0	0	112.4	T339 D542	T339-D387 WeakPolarHBondContact CA-O 3.41Å; D387-D542 PolarHBondContact N-OD2 3.11Å
388	K	93.9	Very high	93.5	Very high	33 Å²	33	35 Å²	35	14%	0.143	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134	-177.8	-58.4	-68.2	176.1	125.8	0	111.8	L309 P359 D541 D542	L309-K388 HydrophobicContact CD1-CB 4.08Å; P359-K388 WeakPolarHBondContact CD-O 3.5Å; P359-K388 WeakPolarHBondContact CG-O 3.46Å; K388-D541 VanDerWaalsContact CE-OD1 3.27Å; K388-D541 WeakPolarHBondContact CE-OD1 3.46Å; K388-D541 IonicContact NZ-OD1 2.71Å; K388-D541 PolarHBondContact NZ-OD1 3Å; K388-D541 IonicContact NZ-OD2 3.29Å; K388-D541 PolarHBondContact NZ-OD2 3.19Å; K388-D542 HydrophobicContact CB-CB 4.1Å; K388-D542 HydrophobicContact CG-CB 3.76Å; K388-D542 PolarHBondContact N-OD2 3.25Å
389	Y	95.7	Very high	93.5	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	156.3	178	-57.6	-94.8	0	0	0	111	V338 K340 I343 V356 V358 F379 H384 Y386	V338-Y389 PolarHBondContact N-O 3.28Å; V338-Y389 WeakPolarHBondContact O-CD2 3.46Å; V338-Y389 PolarHBondContact O-N 2.86Å; K340-Y389 HydrophobicContact CB-CE2 4.28Å; I343-Y389 HydrophobicContact CD1-CD1 4.24Å; I343-Y389 HydrophobicContact CD1-CD2 3.7Å; I343-Y389 HydrophobicContact CD1-CE2 4.09Å; I343-Y389 HydrophobicContact CD1-CG 3.78Å; V356-Y389 HydrophobicContact CG1-CD1 3.72Å; V356-Y389 HydrophobicContact CG1-CE1 4.47Å; V356-Y389 HydrophobicContact CG1-CG 4.12Å; V358-Y389 HydrophobicContact CG2-CD1 4.34Å; V358-Y389 HydrophobicContact CG2-CE1 4.07Å; F379-Y389 HydrophobicContact CE2-CD1 4.3Å; F379-Y389 AromaticContact CE2-CE1 3.79Å; F379-Y389 HydrophobicContact CE2-CE1 3.79Å; F379-Y389 HydrophobicContact CZ-CD1 4.24Å; F379-Y389 AromaticContact CZ-CE1 3.7Å; F379-Y389 HydrophobicContact CZ-CE1 3.7Å; F379-Y389 HydrophobicContact CZ-CE2 4.39Å; F379-Y389 AromaticContact CZ-CZ 3.78Å; H384-Y389 WeakPolarHBondContact CB-OH 3.4Å; H384-Y389 AromaticContact ND1-CE1 3.84Å; H384-Y389 AromaticContact ND1-CZ 3.82Å; H384-Y389 PolarHBondContact ND1-OH 3.29Å; Y386-Y389 PolarHBondContact O-OH 3.41Å
390	I	96.2	Very high	93.4	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.1	164.1	-178.5	169.4	0	0	0	108.2	K308 A312 T334 L335 K357 Q392	K308-I390 HydrophobicContact CB-CD1 4.28Å; K308-I390 HydrophobicContact CB-CG2 4.09Å; K308-I390 WeakPolarHBondContact O-CD1 3.49Å; A312-I390 HydrophobicContact CB-CD1 3.88Å; T334-I390 HydrophobicContact CG2-CD1 3.42Å; T334-I390 VanDerWaalsContact CG2-CD1 3.42Å; T334-I390 HydrophobicContact CG2-CG1 3.57Å; L335-I390 WeakPolarHBondContact O-CA 3.43Å; K357-I390 HydrophobicContact CB-CG2 3.59Å; K357-I390 HydrophobicContact CD-CG2 4.44Å; K357-I390 HydrophobicContact CG-CG2 4.23Å; K357-I390 PolarHBondContact N-O 2.96Å; K357-I390 WeakPolarHBondContact O-CG2 3.31Å; K357-I390 PolarHBondContact O-N 3.09Å; K357-I390 VanDerWaalsContact O-N 3.15Å; I390-Q392 HydrophobicContact CD1-CG 4.41Å; I390-Q392 HydrophobicContact CG1-CG 4.16Å
391	V	96.9	Very high	93.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.7	175.7	178.6	0	0	0	0	108.3	T334 L335 V338 I343 M350 M354 V355 V356	T334-V391 WeakPolarHBondContact CA-O 3.3Å; L335-V391 HydrophobicContact CB-CB 4.27Å; L335-V391 HydrophobicContact CD1-CB 4.46Å; L335-V391 PolarHBondContact N-O 3.36Å; L335-V391 PolarHBondContact O-N 2.68Å; V338-V391 HydrophobicContact CB-CG2 4.02Å; V338-V391 HydrophobicContact CG1-CG2 3.92Å; V338-V391 HydrophobicContact CG2-CB 4.31Å; V338-V391 HydrophobicContact CG2-CG2 3.91Å; I343-V391 HydrophobicContact CG1-CG2 4.41Å; M350-V391 HydrophobicContact CE-CG1 4.43Å; M350-V391 HydrophobicContact SD-CG1 4.06Å; M354-V391 HydrophobicContact CB-CG1 3.94Å; M354-V391 HydrophobicContact CG-CG1 4.31Å; M354-V391 HydrophobicContact SD-CG1 3.79Å; V355-V391 WeakPolarHBondContact O-CA 3.26Å; V356-V391 HydrophobicContact CG2-CG2 4.3Å
392	Q	96.8	Very high	93.2	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145.2	176.5	-60.7	-169	-60.1	0	0	110.4	P332 Y333 T334 M354 V355 I390 I394	P332-Q392 HydrophobicContact CB-CB 4.46Å; Y333-Q392 CarbonylContact O-C 3.51Å; Y333-Q392 VanDerWaalsContact O-CA 3.28Å; Y333-Q392 WeakPolarHBondContact O-CA 3.45Å; T334-Q392 HydrophobicContact CG2-CG 4.13Å; T334-Q392 PolarHBondContact OG1-NE2 3.27Å; T334-Q392 VanDerWaalsContact OG1-NE2 3.09Å; M354-Q392 CarbonylContact C-O 3.52Å; M354-Q392 WeakPolarHBondContact CA-O 3.49Å; V355-Q392 PolarHBondContact N-O 2.97Å; V355-Q392 PolarHBondContact O-N 2.92Å; I390-Q392 HydrophobicContact CD1-CG 4.41Å; I390-Q392 HydrophobicContact CG1-CG 4.16Å; Q392-I394 PolarHBondContact O-N 3.34Å
393	S	96	Very high	93.4	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.028	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	135.3	166.7	61.2	0	0	0	0	109.2	Y333	Y333-S393 PolarHBondContact N-OG 3.33Å; Y333-S393 VanDerWaalsContact N-OG 3.11Å; Y333-S393 PolarHBondContact O-N 3.12Å
394	I	95.5	Very high	93.5	Very high	3 Å²	3	45 Å²	45	2%	0.015	23%	0.228	C	C	.	.			trans	-63.1	142.1	171.7	-154.4	158.9	0	0	0	109.7	Q353 V355 T371 Q392 S396 W400 L466	Q353-I394 HydrophobicContact CB-CG2 3.61Å; Q353-I394 HydrophobicContact CG-CG2 4.08Å; Q353-I394 PolarHBondContact O-N 3.48Å; V355-I394 HydrophobicContact CG2-CB 4.42Å; V355-I394 HydrophobicContact CG2-CG1 4.18Å; T371-I394 HydrophobicContact CG2-CD1 3.63Å; Q392-I394 PolarHBondContact O-N 3.34Å; I394-S396 PolarHBondContact O-N 3.46Å; I394-W400 HydrophobicContact CD1-CZ3 4.02Å; I394-W400 HydrophobicContact CG1-CZ3 4.47Å; I394-L466 HydrophobicContact CD1-CD1 3.59Å; I394-L466 HydrophobicContact CG1-CD1 4.05Å
395	I	96.6	Very high	93.7	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.051	22%	0.221	C	C	.	.			trans	-81.2	110.9	162.8	-59.8	168.7	0	0	0	104.6	I148 T150 I162 P332 L409 F410 H411	I148-I395 HydrophobicContact CB-CD1 4.09Å; I148-I395 HydrophobicContact CD1-CD1 4.12Å; I148-I395 HydrophobicContact CG2-CD1 4.03Å; T150-I395 HydrophobicContact CG2-CD1 3.74Å; T150-I395 HydrophobicContact CG2-CG1 4.27Å; T150-I395 HydrophobicContact CG2-CG2 3.85Å; I162-I395 HydrophobicContact CD1-CD1 3.67Å; P332-I395 HydrophobicContact CG-CD1 4.39Å; P332-I395 HydrophobicContact CG-CG1 4.46Å; I395-L409 WeakPolarHBondContact CA-O 3.49Å; I395-L409 HydrophobicContact CG1-CB 4.08Å; I395-L409 HydrophobicContact CG1-CD1 4.32Å; I395-L409 HydrophobicContact CG2-CB 4.2Å; I395-F410 VanDerWaalsContact CG2-C 3.45Å; I395-H411 HydrophobicContact CG2-CB 4.35Å; I395-H411 PolarHBondContact O-CD2 2.91Å; I395-H411 PolarHBondContact O-NE2 3.46Å
396	S	94	Very high	93.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-94.6	166.9	-165.4	52.6	0	0	0	0	112.7	I394 Q408 L409 F410 H411	I394-S396 PolarHBondContact O-N 3.46Å; S396-Q408 PolarHBondContact OG-NE2 3.22Å; S396-L409 PolarHBondContact N-O 3.16Å; S396-L409 PolarHBondContact OG-O 3.06Å; S396-F410 VanDerWaalsContact O-CA 3.26Å; S396-F410 WeakPolarHBondContact O-CA 3.37Å; S396-F410 WeakPolarHBondContact O-CD1 3.45Å; S396-F410 VanDerWaalsContact OG-CD1 3.24Å; S396-F410 WeakPolarHBondContact OG-CD1 3.38Å; S396-F410 WeakPolarHBondContact OG-CE1 3.28Å; S396-H411 PolarHBondContact O-N 3.24Å
397	H	95	Very high	93.7	Very high	8 Å²	8	46 Å²	46	4%	0.037	24%	0.238	C	C	.	.			trans	-72.6	143.6	159.4	-178	-93.8	0	0	0	109.8	R399 W400 R423 L453	H397-R399 WeakPolarHBondContact ND1-CB 3.33Å; H397-R399 PolarHBondContact ND1-N 2.85Å; H397-R399 PolarHBondContact O-N 3.35Å; H397-R399 VanDerWaalsContact O-N 3.08Å; H397-W400 HydrophobicContact CB-CD2 3.73Å; H397-W400 HydrophobicContact CB-CG 3.8Å; H397-W400 HydrophobicContact CB-CZ2 4.08Å; H397-W400 WeakPolarHBondContact O-CB 3.42Å; H397-W400 PolarHBondContact O-N 3.41Å; H397-R423 PolarHBondContact CD2-NH2 3.4Å; H397-R423 PolarHBondContact NE2-NH2 2.97Å; H397-L453 HydrophobicContact CB-CD1 4.12Å; H397-L453 HydrophobicContact CB-CD2 4.22Å; H397-L453 HydrophobicContact CB-CG 4.1Å
398	P	92.5	Very high	93.9	Very high	64 Å²	64	41.6 Å²	41.6	42%	0.416	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23	-178.4	-28.2	35.5	0	0	0	116.3	F410	P398-F410 HydrophobicContact CB-CD1 4.32Å; P398-F410 HydrophobicContact CG-CB 4.18Å; P398-F410 HydrophobicContact CG-CD1 4.22Å; P398-F410 HydrophobicContact CG-CG 4.31Å
399	R	93.4	Very high	94	Very high	194 Å²	194	40.6 Å²	40.6	73%	0.732	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.3	177.2	-62	-176.9	-177.8	155.9	0.3	114.4	H397 P455	H397-R399 WeakPolarHBondContact ND1-CB 3.33Å; H397-R399 PolarHBondContact ND1-N 2.85Å; H397-R399 PolarHBondContact O-N 3.35Å; H397-R399 VanDerWaalsContact O-N 3.08Å; R399-P455 HydrophobicContact CB-CB 4.18Å
400	W	92.8	Very high	94.1	Very high	24 Å²	24	41 Å²	41	9%	0.091	21%	0.213	C	C	.	.	S	Bend	trans	-69.5	156	172.9	-64.8	-6.1	0	0	0	109.6	T371 I394 H397 L453 T454 P455 C457 L466	T371-W400 HydrophobicContact CG2-CH2 4.29Å; T371-W400 HydrophobicContact CG2-CZ3 4.1Å; I394-W400 HydrophobicContact CD1-CZ3 4.02Å; I394-W400 HydrophobicContact CG1-CZ3 4.47Å; H397-W400 HydrophobicContact CB-CD2 3.73Å; H397-W400 HydrophobicContact CB-CG 3.8Å; H397-W400 HydrophobicContact CB-CZ2 4.08Å; H397-W400 WeakPolarHBondContact O-CB 3.42Å; H397-W400 PolarHBondContact O-N 3.41Å; W400-L453 HydrophobicContact CH2-CD1 4.28Å; W400-L453 HydrophobicContact CZ2-CD1 4.05Å; W400-T454 PolarHBondContact NE1-O 3.01Å; W400-T454 VanDerWaalsContact NE1-O 3.14Å; W400-P455 PolarHBondContact NE1-O 3.14Å; W400-C457 HydrophobicContact CH2-CB 4.25Å; W400-C457 HydrophobicContact CZ2-CB 3.66Å; W400-L466 HydrophobicContact CH2-CD1 4.09Å; W400-L466 HydrophobicContact CH2-CD2 3.93Å; W400-L466 HydrophobicContact CH2-CG 4.3Å; W400-L466 HydrophobicContact CZ3-CD1 4.38Å; W400-L466 HydrophobicContact CZ3-CD2 4.45Å
401	E	90.5	Very high	94.1	Very high	135 Å²	135	41.4 Å²	41.4	63%	0.631	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-56.7	160.2	176.6	-66.9	-173.5	174.4	0	0	111	N351 Q353 S403	N351-E401 VanDerWaalsContact ND2-CB 3.27Å; N351-E401 WeakPolarHBondContact ND2-CB 3.5Å; N351-E401 PolarHBondContact ND2-OE2 3.49Å; Q353-E401 PolarHBondContact NE2-O 3.2Å; Q353-E401 PolarHBondContact OE1-O 3.37Å; E401-S403 PolarHBondContact O-N 3Å
402	R	92.2	Very high	94.1	Very high	130 Å²	130	43.2 Å²	43.2	49%	0.491	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-70.1	133.8	176.6	-61.5	-58.5	-176.2	158.5	-6	109.6	L153 N351 G404	L153-R402 VanDerWaalsContact CD2-CZ 3.42Å; L153-R402 VanDerWaalsContact CD2-NH2 3.27Å; L153-R402 VanDerWaalsContact CG-NH1 3.32Å; N351-R402 PolarHBondContact ND2-O 3.2Å; R402-G404 VanDerWaalsContact C-N 3.27Å
403	S	92	Very high	94	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	23%	0.226	C	C	.	.			trans	-78.1	-16.3	174.7	64.7	0	0	0	0	112.2	M350 E401 C405	M350-S403 CarbonylContact C-O 3.55Å; M350-S403 VanDerWaalsContact CA-O 3.24Å; M350-S403 WeakPolarHBondContact CA-O 3.27Å; E401-S403 PolarHBondContact O-N 3Å; S403-C405 PolarHBondContact O-N 3.18Å; S403-C405 WeakPolarHBondContact OG-CB 3.37Å; S403-C405 PolarHBondContact OG-N 2.91Å
404	G	89.4	Confident	94	Very high	68 Å²	68	43 Å²	43	70%	0.701	23%	0.225	S	C	*	.			trans	72.3	3.1	-172.5	0	0	0	0	0	114.1	R402	R402-G404 VanDerWaalsContact C-N 3.27Å
405	C	93.1	Very high	94	Very high	13 Å²	13	45.2 Å²	45.2	9%	0.088	24%	0.24	C	C	.	.			trans	-72.2	143.3	175.8	-65.7	0	0	0	0	111.1	Y333 S403	Y333-C405 HydrophobicContact CD1-CB 4.26Å; Y333-C405 HydrophobicContact CG-CB 4.5Å; S403-C405 PolarHBondContact O-N 3.18Å; S403-C405 WeakPolarHBondContact OG-CB 3.37Å; S403-C405 PolarHBondContact OG-N 2.91Å
406	P	92.4	Very high	93.8	Very high	80 Å²	80	44.8 Å²	44.8	52%	0.519	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	139.6	170.8	-23.3	33.6	0	0	0	111.4	Y333 Q408	Y333-P406 HydrophobicContact CD2-CB 4.42Å; Y333-P406 HydrophobicContact CD2-CG 4.04Å; Y333-P406 HydrophobicContact CE2-CG 4.02Å; P406-Q408 VanDerWaalsContact C-N 3.3Å; P406-Q408 PolarHBondContact O-N 3.09Å
407	D	91.3	Very high	93.7	Very high	82 Å²	82	50.9 Å²	50.9	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	44.4	176.4	-158.5	26.9	0	0	0	113.6	N152 L409	N152-D407 WeakPolarHBondContact CB-OD1 3.19Å; N152-D407 PolarHBondContact ND2-OD1 3.21Å; D407-L409 WeakPolarHBondContact O-CD2 3.48Å; D407-L409 WeakPolarHBondContact O-CG 3.24Å; D407-L409 PolarHBondContact O-N 3.39Å
408	Q	95.4	Very high	93.6	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.019	29%	0.29	C	S	.	.			trans	-48.8	128.1	-179.3	-176.5	177.1	-0.9	0	0	111.6	N152 S396 P406 F410	N152-Q408 WeakPolarHBondContact CA-O 3.46Å; S396-Q408 PolarHBondContact OG-NE2 3.22Å; P406-Q408 VanDerWaalsContact C-N 3.3Å; P406-Q408 PolarHBondContact O-N 3.09Å; Q408-F410 HydrophobicContact CG-CE1 4.45Å; Q408-F410 HydrophobicContact CG-CZ 4.26Å
409	L	97.4	Very high	93.7	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.068	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	147.4	-175.8	-59.7	176.9	0	0	0	111.2	T150 N152 V160 P332 I395 S396 D407	T150-L409 HydrophobicContact CG2-CB 4.33Å; T150-L409 HydrophobicContact CG2-CD1 4.41Å; N152-L409 HydrophobicContact CB-CD2 4.03Å; V160-L409 HydrophobicContact CG1-CD1 4.03Å; V160-L409 HydrophobicContact CG2-CD1 3.99Å; P332-L409 HydrophobicContact CB-CD1 4.3Å; P332-L409 HydrophobicContact CG-CD1 4.42Å; I395-L409 WeakPolarHBondContact CA-O 3.49Å; I395-L409 HydrophobicContact CG1-CB 4.08Å; I395-L409 HydrophobicContact CG1-CD1 4.32Å; I395-L409 HydrophobicContact CG2-CB 4.2Å; S396-L409 PolarHBondContact N-O 3.16Å; S396-L409 PolarHBondContact OG-O 3.06Å; D407-L409 WeakPolarHBondContact O-CD2 3.48Å; D407-L409 WeakPolarHBondContact O-CG 3.24Å; D407-L409 PolarHBondContact O-N 3.39Å
410	F	97	Very high	93.7	Very high	12 Å²	12	50 Å²	50	5%	0.053	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.4	176.9	-57.2	-75.3	0	0	0	111.8	T150 V151 L153 I395 S396 P398 Q408 I412	T150-F410 CarbonylContact C-O 3.5Å; T150-F410 WeakPolarHBondContact CA-O 3.5Å; T150-F410 WeakPolarHBondContact CB-O 3.45Å; V151-F410 HydrophobicContact CG1-CB 3.88Å; V151-F410 PolarHBondContact N-O 2.85Å; V151-F410 WeakPolarHBondContact O-CB 3.5Å; V151-F410 WeakPolarHBondContact O-CD2 3.4Å; V151-F410 PolarHBondContact O-N 3.31Å; L153-F410 HydrophobicContact CG-CE2 4.39Å; I395-F410 VanDerWaalsContact CG2-C 3.45Å; S396-F410 VanDerWaalsContact O-CA 3.26Å; S396-F410 WeakPolarHBondContact O-CA 3.37Å; S396-F410 WeakPolarHBondContact O-CD1 3.45Å; S396-F410 VanDerWaalsContact OG-CD1 3.24Å; S396-F410 WeakPolarHBondContact OG-CD1 3.38Å; S396-F410 WeakPolarHBondContact OG-CE1 3.28Å; P398-F410 HydrophobicContact CB-CD1 4.32Å; P398-F410 HydrophobicContact CG-CB 4.18Å; P398-F410 HydrophobicContact CG-CD1 4.22Å; P398-F410 HydrophobicContact CG-CG 4.31Å; Q408-F410 HydrophobicContact CG-CE1 4.45Å; Q408-F410 HydrophobicContact CG-CZ 4.26Å; F410-I412 PolarHBondContact O-N 3.13Å
411	H	97	Very high	93.7	Very high	11 Å²	11	56.1 Å²	56.1	5%	0.051	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.7	175.2	-73.6	-72.9	0	0	0	110.9	I395 S396 V425 L453	I395-H411 HydrophobicContact CG2-CB 4.35Å; I395-H411 PolarHBondContact O-CD2 2.91Å; I395-H411 PolarHBondContact O-NE2 3.46Å; S396-H411 PolarHBondContact O-N 3.24Å; H411-V425 HydrophobicContact CB-CG2 4.45Å; H411-V425 VanDerWaalsContact CE1-CG1 3.41Å; H411-V425 WeakPolarHBondContact CE1-CG1 3.38Å; H411-L453 HydrophobicContact CB-CD2 3.63Å
412	I	95.9	Very high	93.9	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.195	29%	0.29	C	S	.	.			trans	-78.6	-36.8	162	-70.9	166.6	0	0	0	110.2	R149 T150 V151 Q157 F410 R423	R149-I412 HydrophobicContact CG-CB 4.4Å; R149-I412 HydrophobicContact CG-CD1 3.79Å; R149-I412 PolarHBondContact O-N 3.24Å; T150-I412 WeakPolarHBondContact O-CD1 3.44Å; V151-I412 HydrophobicContact CB-CD1 4.14Å; V151-I412 HydrophobicContact CB-CG1 4.17Å; V151-I412 HydrophobicContact CG1-CG1 4.16Å; Q157-I412 HydrophobicContact CB-CD1 4.17Å; Q157-I412 HydrophobicContact CG-CD1 3.83Å; F410-I412 PolarHBondContact O-N 3.13Å; I412-R423 WeakPolarHBondContact O-CD 3.3Å
413	G	94.1	Very high	94.1	Very high	10 Å²	10	50.9 Å²	50.9	10%	0.103	28%	0.283	C	S	.	.			trans	71.7	-171.8	174.2	0	0	0	0	0	114.6	Y424	G413-Y424 CarbonylContact C-O 3.57Å; G413-Y424 WeakPolarHBondContact CA-O 3.18Å
414	C	95.7	Very high	94.3	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.02	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-123.5	161.3	174.2	75.4	0	0	0	0	110.4	R423 Y424 A426 D495 M496	C414-R423 WeakPolarHBondContact O-CA 3.09Å; C414-Y424 PolarHBondContact N-O 3.27Å; C414-Y424 PolarHBondContact O-N 3.44Å; C414-A426 HydrophobicContact CB-CB 3.78Å; C414-D495 WeakPolarHBondContact CA-O 3.31Å; C414-D495 WeakPolarHBondContact CB-O 3.43Å; C414-M496 HydrophobicContact CB-SD 4.38Å
415	C	95.4	Very high	94.7	Very high	49 Å²	49	48.3 Å²	48.3	33%	0.331	25%	0.252	S	S	.	.			trans	-127.8	92.9	178.7	-168.8	0	0	0	0	108.7	P420 D495	C415-P420 PolarHBondContact SG-O 3.49Å; C415-D495 PolarHBondContact N-O 3.01Å
416	P	93.6	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.			trans	-72	143.3	-175.8	30.1	-34.2	0	0	0	112	F418 D419 Y424 R448 D495	P416-F418 HydrophobicContact CB-CD1 3.97Å; P416-F418 HydrophobicContact CB-CE1 3.65Å; P416-F418 HydrophobicContact CB-CZ 4.02Å; P416-F418 HydrophobicContact CG-CE1 4Å; P416-F418 HydrophobicContact CG-CE2 4.28Å; P416-F418 HydrophobicContact CG-CZ 3.82Å; P416-F418 PolarHBondContact O-N 2.88Å; P416-F418 VanDerWaalsContact O-N 3.11Å; P416-D419 HydrophobicContact CG-CB 4.39Å; P416-D419 CarbonylContact O-C 3.45Å; P416-D419 VanDerWaalsContact O-C 3.24Å; P416-D419 PolarHBondContact O-N 3.35Å; P416-Y424 HydrophobicContact CG-CD2 3.71Å; P416-Y424 HydrophobicContact CG-CE2 3.75Å; P416-R448 VanDerWaalsContact CB-NH1 3.28Å; P416-D495 WeakPolarHBondContact CA-OD2 3.45Å
417	K	92.1	Very high	95.1	Very high	128 Å²	128	44.5 Å²	44.5	56%	0.557	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.6	-177.6	-77.5	169.9	-177.3	178.3	0	115.2	D419 N491 D495	K417-D419 VanDerWaalsContact C-N 3.27Å; K417-D419 PolarHBondContact O-N 3.4Å; K417-N491 PolarHBondContact NZ-O 3.21Å; K417-D495 WeakPolarHBondContact CG-OD1 3.36Å; K417-D495 PolarHBondContact N-OD1 3.1Å
418	F	93.2	Very high	95.3	Very high	133 Å²	133	40.7 Å²	40.7	58%	0.583	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-15.8	179.5	69.3	-103.1	0	0	0	113.4	P416 R448	P416-F418 HydrophobicContact CB-CD1 3.97Å; P416-F418 HydrophobicContact CB-CE1 3.65Å; P416-F418 HydrophobicContact CB-CZ 4.02Å; P416-F418 HydrophobicContact CG-CE1 4Å; P416-F418 HydrophobicContact CG-CE2 4.28Å; P416-F418 HydrophobicContact CG-CZ 3.82Å; P416-F418 PolarHBondContact O-N 2.88Å; P416-F418 VanDerWaalsContact O-N 3.11Å; F418-R448 VanDerWaalsContact CE1-CZ 3.44Å; F418-R448 VanDerWaalsContact CE1-NH2 3.33Å; F418-R448 VanDerWaalsContact CZ-NH2 3.28Å
419	D	94.7	Very high	95.4	Very high	32 Å²	32	41.3 Å²	41.3	17%	0.171	21%	0.209	C	C	.	.			trans	-141.3	65	-179	-171.6	13.1	0	0	0	111	P416 K417 N421 N422 Y424	P416-D419 HydrophobicContact CG-CB 4.39Å; P416-D419 CarbonylContact O-C 3.45Å; P416-D419 VanDerWaalsContact O-C 3.24Å; P416-D419 PolarHBondContact O-N 3.35Å; K417-D419 VanDerWaalsContact C-N 3.27Å; K417-D419 PolarHBondContact O-N 3.4Å; D419-N421 PolarHBondContact O-N 3.44Å; D419-N421 VanDerWaalsContact O-N 3.1Å; D419-N422 VanDerWaalsContact CG-ND2 3.3Å; D419-N422 PolarHBondContact O-N 2.8Å; D419-N422 PolarHBondContact OD1-ND2 2.88Å; D419-N422 VanDerWaalsContact OD2-CB 3.29Å; D419-N422 WeakPolarHBondContact OD2-CB 3.18Å; D419-N422 PolarHBondContact OD2-ND2 3.14Å; D419-N422 VanDerWaalsContact OD2-ND2 3.13Å; D419-Y424 HydrophobicContact CB-CE2 4.15Å; D419-Y424 VanDerWaalsContact OD2-CE2 3.32Å; D419-Y424 WeakPolarHBondContact OD2-CE2 3.15Å; D419-Y424 PolarHBondContact OD2-OH 3.07Å
420	P	91.9	Very high	95.4	Very high	83 Å²	83	40.7 Å²	40.7	54%	0.539	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11	-168.9	29.4	-37	0	0	0	114.2	C415	C415-P420 PolarHBondContact SG-O 3.49Å
421	N	94	Very high	95.4	Very high	152 Å²	152	40.1 Å²	40.1	81%	0.813	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.7	-179.5	-65.9	-44.4	0	0	0	112.7	D419	D419-N421 PolarHBondContact O-N 3.44Å; D419-N421 VanDerWaalsContact O-N 3.1Å
422	N	95	Very high	95.4	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	20%	0.201	S	C	.	.			trans	-122	141.5	-175.8	-71.3	-70.3	0	0	0	111.4	D419 Y424 P452	D419-N422 VanDerWaalsContact CG-ND2 3.3Å; D419-N422 PolarHBondContact O-N 2.8Å; D419-N422 PolarHBondContact OD1-ND2 2.88Å; D419-N422 VanDerWaalsContact OD2-CB 3.29Å; D419-N422 WeakPolarHBondContact OD2-CB 3.18Å; D419-N422 PolarHBondContact OD2-ND2 3.14Å; D419-N422 VanDerWaalsContact OD2-ND2 3.13Å; N422-Y424 HydrophobicContact CB-CD2 4.5Å; N422-Y424 HydrophobicContact CB-CE2 3.86Å; N422-P452 HydrophobicContact CB-CB 3.75Å; N422-P452 HydrophobicContact CB-CG 4.48Å
423	R	95.2	Very high	95.5	Very high	93 Å²	93	37.8 Å²	37.8	35%	0.351	19%	0.192	S	C	.	.			trans	-96.3	136.1	172.9	175.4	179.9	52.2	-131.2	1.2	109.2	H397 I412 C414 P452 L453	H397-R423 PolarHBondContact CD2-NH2 3.4Å; H397-R423 PolarHBondContact NE2-NH2 2.97Å; I412-R423 WeakPolarHBondContact O-CD 3.3Å; C414-R423 WeakPolarHBondContact O-CA 3.09Å; R423-P452 CarbonylContact O-C 3.57Å; R423-P452 WeakPolarHBondContact O-CA 3.11Å; R423-L453 PolarHBondContact O-N 2.56Å
424	Y	97.3	Very high	95.5	Very high	16 Å²	16	37.3 Å²	37.3	6%	0.063	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	151.7	175.4	-70	-108.2	0	0	0	110.6	G413 C414 P416 D419 N422 A426 R448 K451 P452	G413-Y424 CarbonylContact C-O 3.57Å; G413-Y424 WeakPolarHBondContact CA-O 3.18Å; C414-Y424 PolarHBondContact N-O 3.27Å; C414-Y424 PolarHBondContact O-N 3.44Å; P416-Y424 HydrophobicContact CG-CD2 3.71Å; P416-Y424 HydrophobicContact CG-CE2 3.75Å; D419-Y424 HydrophobicContact CB-CE2 4.15Å; D419-Y424 VanDerWaalsContact OD2-CE2 3.32Å; D419-Y424 WeakPolarHBondContact OD2-CE2 3.15Å; D419-Y424 PolarHBondContact OD2-OH 3.07Å; N422-Y424 HydrophobicContact CB-CD2 4.5Å; N422-Y424 HydrophobicContact CB-CE2 3.86Å; Y424-A426 PolarHBondContact O-N 2.83Å; Y424-R448 VanDerWaalsContact CB-CG 3.46Å; Y424-R448 HydrophobicContact CD1-CG 3.97Å; Y424-R448 HydrophobicContact CG-CG 3.93Å; Y424-K451 VanDerWaalsContact CD1-C 3.43Å; Y424-K451 WeakPolarHBondContact CD1-O 3.22Å; Y424-K451 VanDerWaalsContact CE1-C 3.4Å; Y424-P452 HydrophobicContact CD1-CB 4.45Å; Y424-P452 HydrophobicContact CD2-CB 4.38Å; Y424-P452 HydrophobicContact CE1-CB 4.14Å; Y424-P452 VanDerWaalsContact CE1-N 3.33Å; Y424-P452 HydrophobicContact CE2-CB 4.04Å
425	V	97	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	133	163.6	174.5	0	0	0	0	108.3	H411 A449 L453 V465 L466 T468	H411-V425 HydrophobicContact CB-CG2 4.45Å; H411-V425 VanDerWaalsContact CE1-CG1 3.41Å; H411-V425 WeakPolarHBondContact CE1-CG1 3.38Å; V425-A449 HydrophobicContact CB-CB 4.09Å; V425-A449 PolarHBondContact O-N 3.36Å; V425-L453 HydrophobicContact CG2-CB 4.25Å; V425-L453 HydrophobicContact CG2-CD1 3.98Å; V425-L453 HydrophobicContact CG2-CD2 4.19Å; V425-L453 HydrophobicContact CG2-CG 4.35Å; V425-V465 WeakPolarHBondContact CB-O 3.12Å; V425-V465 VanDerWaalsContact CG2-O 3.29Å; V425-V465 WeakPolarHBondContact CG2-O 3.41Å; V425-L466 HydrophobicContact CG2-CD2 4.05Å; V425-T468 HydrophobicContact CG1-CG2 3.9Å
426	A	97.1	Very high	95.3	Very high	7 Å²	7	39.3 Å²	39.3	6%	0.058	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.3	170.4	0	0	0	0	0	110.3	C414 Y424 R447 I486 M496	C414-A426 HydrophobicContact CB-CB 3.78Å; Y424-A426 PolarHBondContact O-N 2.83Å; A426-R447 WeakPolarHBondContact CA-O 3.31Å; A426-I486 HydrophobicContact CB-CD1 4.44Å; A426-M496 HydrophobicContact CB-CE 4.09Å; A426-M496 HydrophobicContact CB-SD 3.84Å
427	D	96.7	Very high	95.3	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	167.9	165.5	70.4	25.2	0	0	0	110.5	L147 I148 G446 R447 T468 M496	L147-D427 CarbonylContact O-C 3.58Å; L147-D427 WeakPolarHBondContact O-CA 3.23Å; L147-D427 VanDerWaalsContact O-CB 3.32Å; L147-D427 WeakPolarHBondContact O-CB 3.45Å; I148-D427 HydrophobicContact CD1-CB 4.39Å; I148-D427 HydrophobicContact CG1-CB 3.71Å; D427-G446 CarbonylContact O-C 3.47Å; D427-G446 VanDerWaalsContact O-CA 3.23Å; D427-G446 WeakPolarHBondContact O-CA 3.39Å; D427-R447 VanDerWaalsContact CG-NH2 3.26Å; D427-R447 PolarHBondContact N-O 3.27Å; D427-R447 PolarHBondContact O-N 2.91Å; D427-R447 VanDerWaalsContact OD1-CB 3.31Å; D427-R447 WeakPolarHBondContact OD1-CB 3.47Å; D427-R447 IonicContact OD1-CZ 2.82Å; D427-R447 IonicContact OD1-NE 3.19Å; D427-R447 PolarHBondContact OD1-NE 3.03Å; D427-R447 IonicContact OD1-NH2 3.33Å; D427-R447 PolarHBondContact OD1-NH2 3.15Å; D427-R447 IonicContact OD2-CZ 2.72Å; D427-R447 VanDerWaalsContact OD2-CZ 3.31Å; D427-R447 IonicContact OD2-NE 2.65Å; D427-R447 PolarHBondContact OD2-NE 3.16Å; D427-R447 IonicContact OD2-NH2 3.07Å; D427-R447 PolarHBondContact OD2-NH2 3.24Å; D427-T468 HydrophobicContact CB-CG2 4.37Å; D427-T468 VanDerWaalsContact OD2-CB 3.3Å; D427-T468 WeakPolarHBondContact OD2-CB 3.45Å; D427-T468 PolarHBondContact OD2-OG1 3.4Å; D427-M496 WeakPolarHBondContact O-CE 3.28Å
428	L	96.6	Very high	95.5	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.1	174.6	-175.9	149.6	0	0	0	107.7	L147 F430 I444 M496 I498 L503 C506	L147-L428 HydrophobicContact CD1-CD2 4.19Å; L147-L428 PolarHBondContact N-O 2.99Å; L147-L428 PolarHBondContact O-N 2.94Å; L428-F430 HydrophobicContact CD2-CB 3.77Å; L428-F430 HydrophobicContact CD2-CD2 3.8Å; L428-F430 HydrophobicContact CD2-CG 4.28Å; L428-I444 HydrophobicContact CD1-CG2 3.89Å; L428-I444 HydrophobicContact CD2-CG2 3.73Å; L428-I444 HydrophobicContact CG-CG2 3.82Å; L428-M496 HydrophobicContact CB-CE 4.17Å; L428-I498 HydrophobicContact CD1-CD1 3.85Å; L428-L503 HydrophobicContact CD1-CD2 4.03Å; L428-C506 HydrophobicContact CD2-CB 4.39Å
429	R	96.5	Very high	95.7	Very high	17 Å²	17	31.9 Å²	31.9	6%	0.064	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.2	165.9	177.6	83.8	83	-178.8	11.9	107.6	A145 D146 N165 M431 I444 Y445	A145-R429 CarbonylContact O-C 3.37Å; A145-R429 VanDerWaalsContact O-CA 3.3Å; A145-R429 WeakPolarHBondContact O-CA 3.49Å; D146-R429 VanDerWaalsContact CG-NH1 3.33Å; D146-R429 WeakPolarHBondContact OD1-CD 3.48Å; D146-R429 IonicContact OD1-CZ 2.69Å; D146-R429 IonicContact OD1-NE 3.55Å; D146-R429 PolarHBondContact OD1-NE 3.16Å; D146-R429 IonicContact OD1-NH1 2.86Å; D146-R429 PolarHBondContact OD1-NH1 3.49Å; D146-R429 IonicContact OD2-NH1 2.72Å; D146-R429 PolarHBondContact OD2-NH1 2.68Å; N165-R429 VanDerWaalsContact CG-NH1 3.35Å; N165-R429 PolarHBondContact ND2-NH1 2.9Å; R429-M431 HydrophobicContact CG-CG 4.27Å; R429-I444 VanDerWaalsContact O-CA 3.32Å; R429-I444 WeakPolarHBondContact O-CA 3.42Å; R429-Y445 HydrophobicContact CB-CD1 3.93Å; R429-Y445 HydrophobicContact CB-CD2 4.32Å; R429-Y445 HydrophobicContact CB-CE1 3.48Å; R429-Y445 VanDerWaalsContact CB-CE1 3.48Å; R429-Y445 HydrophobicContact CB-CE2 3.94Å; R429-Y445 HydrophobicContact CB-CG 4.33Å; R429-Y445 VanDerWaalsContact CB-CZ 3.48Å; R429-Y445 HydrophobicContact CG-CD1 4.19Å; R429-Y445 HydrophobicContact CG-CE1 3.44Å; R429-Y445 VanDerWaalsContact CG-CE1 3.44Å; R429-Y445 PolarHBondContact N-O 3.14Å; R429-Y445 PolarHBondContact NE-OH 2.9Å; R429-Y445 VanDerWaalsContact NE-OH 3.14Å; R429-Y445 PolarHBondContact O-N 3.22Å; R429-Y445 VanDerWaalsContact O-N 3.14Å
430	F	97.4	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.8	173.9	-156.3	-65.6	0	0	0	110	L105 G144 A145 L147 L428 I432 P441 I444 C506 Y507	L105-F430 HydrophobicContact CD2-CE2 3.56Å; L105-F430 HydrophobicContact CD2-CZ 3.59Å; G144-F430 CarbonylContact C-O 3.57Å; G144-F430 VanDerWaalsContact CA-O 3.28Å; G144-F430 WeakPolarHBondContact CA-O 3.45Å; A145-F430 PolarHBondContact N-O 2.99Å; A145-F430 PolarHBondContact O-N 3.49Å; L147-F430 HydrophobicContact CD1-CB 3.58Å; L428-F430 HydrophobicContact CD2-CB 3.77Å; L428-F430 HydrophobicContact CD2-CD2 3.8Å; L428-F430 HydrophobicContact CD2-CG 4.28Å; F430-I432 HydrophobicContact CD1-CG2 3.83Å; F430-I432 HydrophobicContact CE1-CG2 3.74Å; F430-P441 HydrophobicContact CE1-CB 3.82Å; F430-P441 HydrophobicContact CZ-CB 3.94Å; F430-I444 HydrophobicContact CD2-CD1 3.92Å; F430-I444 HydrophobicContact CD2-CG1 3.84Å; F430-I444 HydrophobicContact CD2-CG2 4.44Å; F430-I444 HydrophobicContact CE1-CD1 4.45Å; F430-I444 HydrophobicContact CE1-CG1 4.39Å; F430-I444 HydrophobicContact CE2-CD1 3.35Å; F430-I444 HydrophobicContact CE2-CG1 3.76Å; F430-I444 HydrophobicContact CG-CG1 4.23Å; F430-I444 HydrophobicContact CZ-CD1 3.66Å; F430-I444 HydrophobicContact CZ-CG1 4.04Å; F430-C506 HydrophobicContact CD2-CB 3.5Å; F430-C506 VanDerWaalsContact CD2-CB 3.5Å; F430-C506 HydrophobicContact CE2-CB 3.94Å; F430-C506 HydrophobicContact CG-CB 4.31Å; F430-Y507 AromaticContact CE1-CD2 3.7Å; F430-Y507 HydrophobicContact CE1-CD2 3.7Å; F430-Y507 HydrophobicContact CE1-CG 4.45Å; F430-Y507 AromaticContact CZ-CD2 3.95Å; F430-Y507 HydrophobicContact CZ-CD2 3.95Å; F430-Y507 HydrophobicContact CZ-CG 4.3Å
431	M	97.5	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.3	178.9	-67.7	165.6	54.1	0	0	111.1	W142 A143 P168 S169 G170 R429 V442 A443	W142-M431 HydrophobicContact CZ2-CE 3.7Å; A143-M431 CarbonylContact O-C 3.36Å; A143-M431 VanDerWaalsContact O-CA 3.28Å; A143-M431 WeakPolarHBondContact O-CA 3.2Å; P168-M431 HydrophobicContact CB-CG 3.91Å; P168-M431 HydrophobicContact CB-SD 4.18Å; P168-M431 HydrophobicContact CG-CE 4.13Å; P168-M431 HydrophobicContact CG-CG 3.99Å; P168-M431 HydrophobicContact CG-SD 4.37Å; S169-M431 VanDerWaalsContact C-SD 3.52Å; S169-M431 VanDerWaalsContact O-SD 3.41Å; G170-M431 VanDerWaalsContact CA-SD 3.54Å; R429-M431 HydrophobicContact CG-CG 4.27Å; M431-V442 HydrophobicContact CB-CB 4.13Å; M431-V442 HydrophobicContact CB-CG1 4.43Å; M431-V442 HydrophobicContact CE-CG1 4.28Å; M431-V442 PolarHBondContact O-N 3.44Å; M431-A443 HydrophobicContact CB-CB 4.09Å; M431-A443 WeakPolarHBondContact CB-O 3.47Å; M431-A443 HydrophobicContact CE-CB 4.11Å; M431-A443 HydrophobicContact CG-CB 4.42Å; M431-A443 PolarHBondContact N-O 3.23Å; M431-A443 PolarHBondContact O-N 3.2Å; M431-A443 HydrophobicContact SD-CB 3.76Å
432	I	97.1	Very high	95.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.6	174.5	62.9	175.1	0	0	0	110.5	A143 F430 W439 T440 Y507 T510 V511 A514	A143-I432 HydrophobicContact CB-CG1 3.96Å; A143-I432 PolarHBondContact N-O 3.41Å; A143-I432 PolarHBondContact O-N 2.82Å; F430-I432 HydrophobicContact CD1-CG2 3.83Å; F430-I432 HydrophobicContact CE1-CG2 3.74Å; I432-W439 HydrophobicContact CB-CE3 4.21Å; I432-W439 HydrophobicContact CD1-CD2 3.76Å; I432-W439 HydrophobicContact CD1-CE3 3.32Å; I432-W439 HydrophobicContact CD1-CG 4.3Å; I432-W439 HydrophobicContact CD1-CH2 4.41Å; I432-W439 HydrophobicContact CD1-CZ3 3.7Å; I432-W439 HydrophobicContact CG1-CE3 3.64Å; I432-W439 HydrophobicContact CG1-CZ3 3.85Å; I432-T440 CarbonylContact C-O 3.59Å; I432-T440 VanDerWaalsContact CA-O 3.24Å; I432-T440 WeakPolarHBondContact CA-O 3.24Å; I432-Y507 HydrophobicContact CG2-CD2 3.71Å; I432-Y507 HydrophobicContact CG2-CE2 3.61Å; I432-T510 HydrophobicContact CD1-CG2 3.68Å; I432-T510 HydrophobicContact CG1-CG2 3.81Å; I432-T510 HydrophobicContact CG2-CG2 3.99Å; I432-V511 HydrophobicContact CD1-CB 4.46Å; I432-V511 HydrophobicContact CD1-CG2 3.83Å; I432-A514 HydrophobicContact CD1-CB 3.94Å
433	S	96.5	Very high	95.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.5	171.1	-172	0	0	0	0	109.8	R141 G191 W439 T440	R141-S433 CarbonylContact O-C 3.41Å; R141-S433 VanDerWaalsContact O-CA 3.25Å; R141-S433 WeakPolarHBondContact O-CA 3.49Å; R141-S433 PolarHBondContact O-OG 2.73Å; G191-S433 PolarHBondContact N-OG 3.23Å; S433-W439 CarbonylContact O-C 3.26Å; S433-W439 WeakPolarHBondContact O-CA 3.3Å; S433-T440 PolarHBondContact N-O 3.14Å; S433-T440 PolarHBondContact O-N 2.77Å
434	A	95.7	Very high	95.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.1	174.1	0	0	0	0	0	110.3	S137 R141 N190 G438 W439	S137-A434 VanDerWaalsContact CB-CB 3.47Å; R141-A434 HydrophobicContact CB-CB 4.34Å; R141-A434 PolarHBondContact NH2-O 3.36Å; R141-A434 PolarHBondContact O-N 3.14Å; N190-A434 CarbonylContact C-O 3.49Å; N190-A434 VanDerWaalsContact C-O 3.28Å; A434-G438 CarbonylContact C-O 3.19Å; A434-G438 WeakPolarHBondContact CA-O 3.25Å; A434-W439 HydrophobicContact CB-CD2 4.01Å; A434-W439 HydrophobicContact CB-CE3 3.65Å; A434-W439 HydrophobicContact CB-CH2 4.13Å; A434-W439 HydrophobicContact CB-CZ2 4.4Å; A434-W439 HydrophobicContact CB-CZ3 3.72Å
435	G	94.1	Very high	95.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-173.4	169.6	0	0	0	0	0	111.9	S136 N190 T437 G438	S136-G435 VanDerWaalsContact CB-O 3.27Å; S136-G435 WeakPolarHBondContact CB-O 3.43Å; S136-G435 PolarHBondContact OG-O 3.43Å; N190-G435 WeakPolarHBondContact O-CA 3.43Å; G435-T437 PolarHBondContact O-N 3.37Å; G435-G438 PolarHBondContact N-O 3.15Å; G435-G438 PolarHBondContact O-N 2.78Å; G435-G438 VanDerWaalsContact O-N 3.12Å
436	P	92.4	Very high	95.7	Very high	93 Å²	93	13.2 Å²	13.2	60%	0.604	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.4	175.9	-26	36.2	0	0	0	114.1	P194	P194-P436 HydrophobicContact CB-CG 3.95Å; P194-P436 HydrophobicContact CG-CG 4.12Å
437	T	92.8	Very high	95.6	Very high	103 Å²	103	13.3 Å²	13.3	63%	0.632	8%	0.079	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	11.5	179.5	56.8	0	0	0	0	113.5	G435	G435-T437 PolarHBondContact O-N 3.37Å
438	G	96.5	Very high	95.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.4	-154.9	-179.3	0	0	0	0	0	114	M133 N134 A434 G435	M133-G438 CarbonylContact O-C 3.58Å; M133-G438 WeakPolarHBondContact O-CA 3.32Å; N134-G438 WeakPolarHBondContact O-CA 3.37Å; A434-G438 CarbonylContact C-O 3.19Å; A434-G438 WeakPolarHBondContact CA-O 3.25Å; G435-G438 PolarHBondContact N-O 3.15Å; G435-G438 PolarHBondContact O-N 2.78Å; G435-G438 VanDerWaalsContact O-N 3.12Å
439	W	97.4	Very high	95.6	Very high	3 Å²	3	14 Å²	14	1%	0.011	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	151.3	-177.3	-61.3	98.1	0	0	0	112.1	N110 M133 Y140 A143 I432 S433 A434 Y507 V511 A514 S515	N110-W439 PolarHBondContact ND2-O 2.71Å; N110-W439 PolarHBondContact OD1-O 2.64Å; M133-W439 PolarHBondContact O-N 3.08Å; Y140-W439 WeakPolarHBondContact O-CH2 3.3Å; A143-W439 HydrophobicContact CB-CZ3 4.47Å; I432-W439 HydrophobicContact CB-CE3 4.21Å; I432-W439 HydrophobicContact CD1-CD2 3.76Å; I432-W439 HydrophobicContact CD1-CE3 3.32Å; I432-W439 HydrophobicContact CD1-CG 4.3Å; I432-W439 HydrophobicContact CD1-CH2 4.41Å; I432-W439 HydrophobicContact CD1-CZ3 3.7Å; I432-W439 HydrophobicContact CG1-CE3 3.64Å; I432-W439 HydrophobicContact CG1-CZ3 3.85Å; S433-W439 CarbonylContact O-C 3.26Å; S433-W439 WeakPolarHBondContact O-CA 3.3Å; A434-W439 HydrophobicContact CB-CD2 4.01Å; A434-W439 HydrophobicContact CB-CE3 3.65Å; A434-W439 HydrophobicContact CB-CH2 4.13Å; A434-W439 HydrophobicContact CB-CZ2 4.4Å; A434-W439 HydrophobicContact CB-CZ3 3.72Å; W439-Y507 WeakPolarHBondContact CB-OH 3.29Å; W439-Y507 PolarHBondContact O-OH 3.33Å; W439-V511 HydrophobicContact CB-CG2 3.77Å; W439-V511 HydrophobicContact CG-CG1 4.15Å; W439-V511 HydrophobicContact CG-CG2 3.96Å; W439-A514 HydrophobicContact CH2-CB 3.48Å; W439-A514 VanDerWaalsContact CH2-CB 3.48Å; W439-A514 HydrophobicContact CZ2-CB 3.75Å; W439-A514 HydrophobicContact CZ3-CB 4.07Å; W439-S515 PolarHBondContact NE1-OG 3.27Å
440	T	95.5	Very high	95.5	Very high	36 Å²	36	16.2 Å²	16.2	22%	0.221	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	138.9	175.5	-53.9	0	0	0	0	109.4	I432 S433 Y507	I432-T440 CarbonylContact C-O 3.59Å; I432-T440 VanDerWaalsContact CA-O 3.24Å; I432-T440 WeakPolarHBondContact CA-O 3.24Å; S433-T440 PolarHBondContact N-O 3.14Å; S433-T440 PolarHBondContact O-N 2.77Å; T440-Y507 PolarHBondContact N-OH 2.77Å
441	P	95.9	Very high	95.4	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.013	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	140.6	173	29.6	-36.6	0	0	0	111.5	L106 R186 F430 Y507	L106-P441 HydrophobicContact CD2-CB 3.83Å; L106-P441 HydrophobicContact CD2-CG 4.34Å; R186-P441 PolarHBondContact NH1-O 2.81Å; F430-P441 HydrophobicContact CE1-CB 3.82Å; F430-P441 HydrophobicContact CZ-CB 3.94Å; P441-Y507 HydrophobicContact CB-CD2 4.24Å; P441-Y507 HydrophobicContact CB-CE2 4.29Å
442	V	94.4	Very high	95.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	-52.9	-173.8	170.8	0	0	0	0	112	N171 F176 R186 V187 M431	N171-V442 WeakPolarHBondContact OD1-CG1 3.49Å; F176-V442 VanDerWaalsContact CZ-O 3.25Å; F176-V442 WeakPolarHBondContact CZ-O 3.45Å; R186-V442 HydrophobicContact CB-CG2 4.38Å; V187-V442 HydrophobicContact CG2-CB 4.46Å; V187-V442 HydrophobicContact CG2-CG1 3.49Å; V187-V442 VanDerWaalsContact CG2-CG1 3.49Å; V187-V442 HydrophobicContact CG2-CG2 4.15Å; M431-V442 HydrophobicContact CB-CB 4.13Å; M431-V442 HydrophobicContact CB-CG1 4.43Å; M431-V442 HydrophobicContact CE-CG1 4.28Å; M431-V442 PolarHBondContact O-N 3.44Å
443	A	94.4	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	146.5	-174.8	0	0	0	0	0	110.8	N171 V174 M431	N171-A443 WeakPolarHBondContact OD1-CB 3.11Å; V174-A443 HydrophobicContact CG2-CB 3.64Å; M431-A443 HydrophobicContact CB-CB 4.09Å; M431-A443 WeakPolarHBondContact CB-O 3.47Å; M431-A443 HydrophobicContact CE-CB 4.11Å; M431-A443 HydrophobicContact CG-CB 4.42Å; M431-A443 PolarHBondContact N-O 3.23Å; M431-A443 PolarHBondContact O-N 3.2Å; M431-A443 HydrophobicContact SD-CB 3.76Å
444	I	95.1	Very high	95.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	132.7	-176.8	-53.9	169.3	0	0	0	108.4	V102 L105 L106 V174 L428 R429 F430 V488	V102-I444 HydrophobicContact CG1-CD1 4.08Å; L105-I444 HydrophobicContact CD2-CD1 3.73Å; L106-I444 HydrophobicContact CD2-CD1 3.9Å; L106-I444 HydrophobicContact CD2-CG1 4.32Å; V174-I444 WeakPolarHBondContact CG2-O 3.39Å; L428-I444 HydrophobicContact CD1-CG2 3.89Å; L428-I444 HydrophobicContact CD2-CG2 3.73Å; L428-I444 HydrophobicContact CG-CG2 3.82Å; R429-I444 VanDerWaalsContact O-CA 3.32Å; R429-I444 WeakPolarHBondContact O-CA 3.42Å; F430-I444 HydrophobicContact CD2-CD1 3.92Å; F430-I444 HydrophobicContact CD2-CG1 3.84Å; F430-I444 HydrophobicContact CD2-CG2 4.44Å; F430-I444 HydrophobicContact CE1-CD1 4.45Å; F430-I444 HydrophobicContact CE1-CG1 4.39Å; F430-I444 HydrophobicContact CE2-CD1 3.35Å; F430-I444 HydrophobicContact CE2-CG1 3.76Å; F430-I444 HydrophobicContact CG-CG1 4.23Å; F430-I444 HydrophobicContact CZ-CD1 3.66Å; F430-I444 HydrophobicContact CZ-CG1 4.04Å; I444-V488 HydrophobicContact CB-CG1 4.11Å; I444-V488 HydrophobicContact CG2-CG1 3.87Å; I444-V488 VanDerWaalsContact O-CG1 3.3Å; I444-V488 WeakPolarHBondContact O-CG1 3.4Å; I444-V488 WeakPolarHBondContact O-CG2 3.5Å
445	Y	94.4	Very high	95	Very high	6 Å²	6	25.7 Å²	25.7	2%	0.024	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	155.8	168.4	66.4	-88	0	0	0	110.8	S169 R429 R447 L485	S169-Y445 VanDerWaalsContact O-CE1 3.24Å; S169-Y445 WeakPolarHBondContact O-CE1 3.42Å; S169-Y445 PolarHBondContact O-OH 3.21Å; S169-Y445 PolarHBondContact OG-OH 2.92Å; R429-Y445 HydrophobicContact CB-CD1 3.93Å; R429-Y445 HydrophobicContact CB-CD2 4.32Å; R429-Y445 HydrophobicContact CB-CE1 3.48Å; R429-Y445 VanDerWaalsContact CB-CE1 3.48Å; R429-Y445 HydrophobicContact CB-CE2 3.94Å; R429-Y445 HydrophobicContact CB-CG 4.33Å; R429-Y445 VanDerWaalsContact CB-CZ 3.48Å; R429-Y445 HydrophobicContact CG-CD1 4.19Å; R429-Y445 HydrophobicContact CG-CE1 3.44Å; R429-Y445 VanDerWaalsContact CG-CE1 3.44Å; R429-Y445 PolarHBondContact N-O 3.14Å; R429-Y445 PolarHBondContact NE-OH 2.9Å; R429-Y445 VanDerWaalsContact NE-OH 3.14Å; R429-Y445 PolarHBondContact O-N 3.22Å; R429-Y445 VanDerWaalsContact O-N 3.14Å; Y445-R447 HydrophobicContact CD2-CG 4.01Å; Y445-R447 HydrophobicContact CE2-CG 3.63Å; Y445-L485 HydrophobicContact CD2-CD1 3.34Å; Y445-L485 HydrophobicContact CE2-CD1 3.98Å; Y445-L485 HydrophobicContact CG-CD1 3.99Å
446	G	95.5	Very high	94.8	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	156.7	176.6	0	0	0	0	0	112.8	D427 I486	D427-G446 CarbonylContact O-C 3.47Å; D427-G446 VanDerWaalsContact O-CA 3.23Å; D427-G446 WeakPolarHBondContact O-CA 3.39Å; G446-I486 PolarHBondContact N-O 3.22Å; G446-I486 PolarHBondContact O-N 3.27Å
447	R	95.7	Very high	94.5	Very high	9 Å²	9	29 Å²	29	3%	0.034	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.1	169.8	-51.5	174.1	-74.4	-163.6	4.4	110	D146 A426 D427 Y445 T468 L470	D146-R447 IonicContact OD1-CZ 3.4Å; D146-R447 IonicContact OD1-NH1 3.46Å; D146-R447 IonicContact OD1-NH2 3.88Å; D146-R447 PolarHBondContact OD1-NH2 3.31Å; D146-R447 VanDerWaalsContact OD1-NH2 3.08Å; D146-R447 IonicContact OD2-CZ 3.27Å; D146-R447 IonicContact OD2-NH1 2.71Å; D146-R447 IonicContact OD2-NH2 2.77Å; D146-R447 PolarHBondContact OD2-NH2 3.34Å; A426-R447 WeakPolarHBondContact CA-O 3.31Å; D427-R447 VanDerWaalsContact CG-NH2 3.26Å; D427-R447 PolarHBondContact N-O 3.27Å; D427-R447 PolarHBondContact O-N 2.91Å; D427-R447 VanDerWaalsContact OD1-CB 3.31Å; D427-R447 WeakPolarHBondContact OD1-CB 3.47Å; D427-R447 IonicContact OD1-CZ 2.82Å; D427-R447 IonicContact OD1-NE 3.19Å; D427-R447 PolarHBondContact OD1-NE 3.03Å; D427-R447 IonicContact OD1-NH2 3.33Å; D427-R447 PolarHBondContact OD1-NH2 3.15Å; D427-R447 IonicContact OD2-CZ 2.72Å; D427-R447 VanDerWaalsContact OD2-CZ 3.31Å; D427-R447 IonicContact OD2-NE 2.65Å; D427-R447 PolarHBondContact OD2-NE 3.16Å; D427-R447 IonicContact OD2-NH2 3.07Å; D427-R447 PolarHBondContact OD2-NH2 3.24Å; Y445-R447 HydrophobicContact CD2-CG 4.01Å; Y445-R447 HydrophobicContact CE2-CG 3.63Å; R447-T468 VanDerWaalsContact CB-O 3.29Å; R447-T468 WeakPolarHBondContact CB-O 3.32Å; R447-L470 HydrophobicContact CB-CD2 3.99Å; R447-L470 HydrophobicContact CB-CG 4.28Å; R447-L470 HydrophobicContact CG-CD1 3.95Å; R447-L470 HydrophobicContact CG-CD2 4.1Å; R447-L470 HydrophobicContact CG-CG 3.86Å
448	R	96.2	Very high	94.1	Very high	22 Å²	22	26.5 Å²	26.5	8%	0.083	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	148.7	179.3	-161.6	179.1	59.8	-128.8	-10.7	112.1	P416 F418 Y424 R484 I486	P416-R448 VanDerWaalsContact CB-NH1 3.28Å; F418-R448 VanDerWaalsContact CE1-CZ 3.44Å; F418-R448 VanDerWaalsContact CE1-NH2 3.33Å; F418-R448 VanDerWaalsContact CZ-NH2 3.28Å; Y424-R448 VanDerWaalsContact CB-CG 3.46Å; Y424-R448 HydrophobicContact CD1-CG 3.97Å; Y424-R448 HydrophobicContact CG-CG 3.93Å; R448-R484 PolarHBondContact N-O 2.97Å; R448-R484 WeakPolarHBondContact O-CD 3.23Å; R448-R484 PolarHBondContact O-NH1 2.67Å; R448-I486 HydrophobicContact CB-CD1 4.06Å
449	A	95.9	Very high	93.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	152.5	163.2	0	0	0	0	0	111.4	V425 K451 V465 G467	V425-A449 HydrophobicContact CB-CB 4.09Å; V425-A449 PolarHBondContact O-N 3.36Å; A449-K451 VanDerWaalsContact C-N 3.3Å; A449-K451 PolarHBondContact O-N 3.11Å; A449-V465 WeakPolarHBondContact CB-O 3.43Å; A449-G467 WeakPolarHBondContact CA-O 3.46Å
450	P	94.7	Very high	93.2	Very high	65 Å²	65	31.6 Å²	31.6	42%	0.422	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-25.7	179.9	22.8	-28.1	0	0	0	113.4	D464 G467	P450-D464 WeakPolarHBondContact CD-O 3.32Å; P450-D464 WeakPolarHBondContact CG-O 3.47Å; P450-G467 WeakPolarHBondContact CD-O 3.49Å
451	K	95.5	Very high	93	Very high	71 Å²	71	36 Å²	36	31%	0.309	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.4	-179.4	-66.7	-169.7	-173.5	160.6	0	113	Y424 A449 D464 V465	Y424-K451 VanDerWaalsContact CD1-C 3.43Å; Y424-K451 WeakPolarHBondContact CD1-O 3.22Å; Y424-K451 VanDerWaalsContact CE1-C 3.4Å; A449-K451 VanDerWaalsContact C-N 3.3Å; A449-K451 PolarHBondContact O-N 3.11Å; K451-D464 HydrophobicContact CB-CB 4.48Å; K451-D464 WeakPolarHBondContact CB-O 3.46Å; K451-D464 HydrophobicContact CD-CB 3.85Å; K451-D464 HydrophobicContact CG-CB 4.21Å; K451-D464 PolarHBondContact N-O 3.15Å; K451-D464 IonicContact NZ-OD2 2.82Å; K451-D464 PolarHBondContact NZ-OD2 3.19Å; K451-V465 HydrophobicContact CB-CG2 4.12Å
452	P	96.1	Very high	92.9	Very high	31 Å²	31	35.9 Å²	35.9	20%	0.201	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	151.4	179.2	29.2	-36.8	0	0	0	112.1	N422 R423 Y424 T454 V465	N422-P452 HydrophobicContact CB-CB 3.75Å; N422-P452 HydrophobicContact CB-CG 4.48Å; R423-P452 CarbonylContact O-C 3.57Å; R423-P452 WeakPolarHBondContact O-CA 3.11Å; Y424-P452 HydrophobicContact CD1-CB 4.45Å; Y424-P452 HydrophobicContact CD2-CB 4.38Å; Y424-P452 HydrophobicContact CE1-CB 4.14Å; Y424-P452 VanDerWaalsContact CE1-N 3.33Å; Y424-P452 HydrophobicContact CE2-CB 4.04Å; P452-T454 PolarHBondContact O-N 2.98Å; P452-V465 WeakPolarHBondContact O-CG1 3.41Å
453	L	95.6	Very high	92.8	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	22%	0.218	C	C	.	.			trans	-78.4	101.8	176.5	-175.9	69.7	0	0	0	110.8	H397 W400 H411 R423 V425 V465 L466	H397-L453 HydrophobicContact CB-CD1 4.12Å; H397-L453 HydrophobicContact CB-CD2 4.22Å; H397-L453 HydrophobicContact CB-CG 4.1Å; W400-L453 HydrophobicContact CH2-CD1 4.28Å; W400-L453 HydrophobicContact CZ2-CD1 4.05Å; H411-L453 HydrophobicContact CB-CD2 3.63Å; R423-L453 PolarHBondContact O-N 2.56Å; V425-L453 HydrophobicContact CG2-CB 4.25Å; V425-L453 HydrophobicContact CG2-CD1 3.98Å; V425-L453 HydrophobicContact CG2-CD2 4.19Å; V425-L453 HydrophobicContact CG2-CG 4.35Å; L453-V465 HydrophobicContact CB-CG1 4.17Å; L453-V465 HydrophobicContact CD1-CG1 3.59Å; L453-V465 HydrophobicContact CG-CG1 4.44Å; L453-L466 HydrophobicContact CD1-CD2 4.1Å
454	T	94.2	Very high	92.8	Very high	43 Å²	43	42.4 Å²	42.4	26%	0.264	23%	0.229	S	C	.	.			trans	-98.6	155.8	-175.6	52.5	0	0	0	0	113.4	W400 P452 N456	W400-T454 PolarHBondContact NE1-O 3.01Å; W400-T454 VanDerWaalsContact NE1-O 3.14Å; P452-T454 PolarHBondContact O-N 2.98Å; T454-N456 PolarHBondContact O-N 3.5Å; T454-N456 PolarHBondContact OG1-O 3.39Å
455	P	93.3	Very high	92.7	Very high	44 Å²	44	42.5 Å²	42.5	29%	0.286	23%	0.23	S	C	.	.	S	Bend	trans	-58.2	-30	171.3	-25.6	35	0	0	0	114.2	R399 W400	R399-P455 HydrophobicContact CB-CB 4.18Å; W400-P455 PolarHBondContact NE1-O 3.14Å
456	N	90.1	Very high	92.8	Very high	137 Å²	137	43 Å²	43	73%	0.733	23%	0.233	S	C	*	.	S	Bend	trans	-112.3	111.4	177.1	-60.8	-27.5	0	0	0	107.9	T454	T454-N456 PolarHBondContact O-N 3.5Å; T454-N456 PolarHBondContact OG1-O 3.39Å
457	C	86.5	Confident	92.7	Very high	25 Å²	25	43.1 Å²	43.1	17%	0.169	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-76.5	123.6	173.6	-161.7	0	0	0	0	108.6	W400 P459 S462	W400-C457 HydrophobicContact CH2-CB 4.25Å; W400-C457 HydrophobicContact CZ2-CB 3.66Å; C457-P459 WeakPolarHBondContact O-CD 3.23Å; C457-S462 VanDerWaalsContact SG-CA 3.51Å; C457-S462 VanDerWaalsContact SG-CB 3.59Å
458	P	83.6	Confident	92.6	Very high	51 Å²	51	43.5 Å²	43.5	33%	0.331	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-61.7	126.4	177.6	-18.4	30.2	0	0	0	109.9	G460 R461	P458-G460 PolarHBondContact O-N 2.81Å; P458-R461 HydrophobicContact CB-CB 4.21Å; P458-R461 PolarHBondContact O-N 3.12Å; P458-R461 VanDerWaalsContact O-N 3.11Å
459	P	85.9	Confident	92.3	Very high	85 Å²	85	43.9 Å²	43.9	55%	0.552	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	139.8	179.2	-27.1	34.6	0	0	0	111.9	C457 R461	C457-P459 WeakPolarHBondContact O-CD 3.23Å; P459-R461 PolarHBondContact O-N 2.94Å
460	G	88.9	Confident	92	Very high	26 Å²	26	44.5 Å²	44.5	27%	0.268	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-0	180	0	0	0	0	0	115.3	P458	P458-G460 PolarHBondContact O-N 2.81Å
461	R	91.2	Very high	91.5	Very high	128 Å²	128	42.9 Å²	42.9	48%	0.483	23%	0.234	S	C	.	.			trans	-133.4	23.1	-170.1	-55.3	-178.1	65.9	155.2	17.6	114	E375 P458 P459 W463 D464	E375-R461 PolarHBondContact OE1-N 2.89Å; P458-R461 HydrophobicContact CB-CB 4.21Å; P458-R461 PolarHBondContact O-N 3.12Å; P458-R461 VanDerWaalsContact O-N 3.11Å; P459-R461 PolarHBondContact O-N 2.94Å; R461-W463 PolarHBondContact O-N 3.31Å; R461-D464 IonicContact CZ-OD2 3.77Å; R461-D464 VanDerWaalsContact CZ-OD2 3.24Å; R461-D464 IonicContact NE-OD2 3.92Å; R461-D464 PolarHBondContact NE-OD2 2.86Å; R461-D464 IonicContact NH2-OD2 3.08Å; R461-D464 PolarHBondContact NH2-OD2 3.17Å; R461-D464 WeakPolarHBondContact O-CB 3.45Å; R461-D464 PolarHBondContact O-N 3.43Å
462	S	94	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.3	-30.5	178.7	63.1	0	0	0	0	112.9	T369 T371 E375 C457 D464 V465 L466	T369-S462 WeakPolarHBondContact CB-OG 3.34Å; T369-S462 PolarHBondContact O-OG 2.98Å; T369-S462 PolarHBondContact OG1-OG 2.93Å; T371-S462 VanDerWaalsContact CG2-CB 3.49Å; E375-S462 WeakPolarHBondContact OE1-CA 3.24Å; E375-S462 WeakPolarHBondContact OE1-CB 3.35Å; E375-S462 PolarHBondContact OE1-N 3.39Å; E375-S462 PolarHBondContact OE1-OG 2.84Å; E375-S462 PolarHBondContact OE2-OG 2.93Å; C457-S462 VanDerWaalsContact SG-CA 3.51Å; C457-S462 VanDerWaalsContact SG-CB 3.59Å; S462-D464 VanDerWaalsContact C-N 3.27Å; S462-D464 PolarHBondContact O-N 3.04Å; S462-V465 PolarHBondContact O-N 3.04Å; S462-L466 WeakPolarHBondContact O-CB 3.41Å; S462-L466 WeakPolarHBondContact O-CG 3.45Å; S462-L466 PolarHBondContact O-N 3.41Å
463	W	92.6	Very high	89.9	Confident	95 Å²	95	42.3 Å²	42.3	36%	0.36	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-32.7	176	-169.5	-99.6	0	0	0	113.4	V367 T369 R461 V465 G467 N469	V367-W463 HydrophobicContact CB-CH2 3.97Å; V367-W463 HydrophobicContact CB-CZ3 3.89Å; V367-W463 HydrophobicContact CG1-CH2 4.01Å; V367-W463 HydrophobicContact CG1-CZ3 3.55Å; T369-W463 HydrophobicContact CG2-CE3 3.88Å; T369-W463 HydrophobicContact CG2-CZ3 4.21Å; T369-W463 PolarHBondContact OG1-N 2.71Å; R461-W463 PolarHBondContact O-N 3.31Å; W463-V465 PolarHBondContact O-N 3.18Å; W463-G467 VanDerWaalsContact O-CA 3.3Å; W463-G467 WeakPolarHBondContact O-CA 3.44Å; W463-G467 PolarHBondContact O-N 3.46Å; W463-N469 HydrophobicContact CZ2-CB 4.35Å
464	D	93.2	Very high	88.7	Confident	41 Å²	41	46.9 Å²	46.9	22%	0.219	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-26	176.8	-70.2	-9.6	0	0	0	111.8	P450 K451 R461 S462	P450-D464 WeakPolarHBondContact CD-O 3.32Å; P450-D464 WeakPolarHBondContact CG-O 3.47Å; K451-D464 HydrophobicContact CB-CB 4.48Å; K451-D464 WeakPolarHBondContact CB-O 3.46Å; K451-D464 HydrophobicContact CD-CB 3.85Å; K451-D464 HydrophobicContact CG-CB 4.21Å; K451-D464 PolarHBondContact N-O 3.15Å; K451-D464 IonicContact NZ-OD2 2.82Å; K451-D464 PolarHBondContact NZ-OD2 3.19Å; R461-D464 IonicContact CZ-OD2 3.77Å; R461-D464 VanDerWaalsContact CZ-OD2 3.24Å; R461-D464 IonicContact NE-OD2 3.92Å; R461-D464 PolarHBondContact NE-OD2 2.86Å; R461-D464 IonicContact NH2-OD2 3.08Å; R461-D464 PolarHBondContact NH2-OD2 3.17Å; R461-D464 WeakPolarHBondContact O-CB 3.45Å; R461-D464 PolarHBondContact O-N 3.43Å; S462-D464 VanDerWaalsContact C-N 3.27Å; S462-D464 PolarHBondContact O-N 3.04Å
465	V	94.7	Very high	87.7	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-103.9	-29.3	-173.4	177.3	0	0	0	0	112	V425 A449 K451 P452 L453 S462 W463	V425-V465 WeakPolarHBondContact CB-O 3.12Å; V425-V465 VanDerWaalsContact CG2-O 3.29Å; V425-V465 WeakPolarHBondContact CG2-O 3.41Å; A449-V465 WeakPolarHBondContact CB-O 3.43Å; K451-V465 HydrophobicContact CB-CG2 4.12Å; P452-V465 WeakPolarHBondContact O-CG1 3.41Å; L453-V465 HydrophobicContact CB-CG1 4.17Å; L453-V465 HydrophobicContact CD1-CG1 3.59Å; L453-V465 HydrophobicContact CG-CG1 4.44Å; S462-V465 PolarHBondContact O-N 3.04Å; W463-V465 PolarHBondContact O-N 3.18Å
466	L	95.1	Very high	86.8	Confident	17 Å²	17	45.7 Å²	45.7	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-106.7	-26.2	-174.5	-60.6	173.2	0	0	0	113.4	T369 T371 I394 W400 V425 L453 S462 T468	T369-L466 HydrophobicContact CG2-CB 4.27Å; T369-L466 HydrophobicContact CG2-CD1 3.99Å; T371-L466 HydrophobicContact CG2-CD1 4.43Å; I394-L466 HydrophobicContact CD1-CD1 3.59Å; I394-L466 HydrophobicContact CG1-CD1 4.05Å; W400-L466 HydrophobicContact CH2-CD1 4.09Å; W400-L466 HydrophobicContact CH2-CD2 3.93Å; W400-L466 HydrophobicContact CH2-CG 4.3Å; W400-L466 HydrophobicContact CZ3-CD1 4.38Å; W400-L466 HydrophobicContact CZ3-CD2 4.45Å; V425-L466 HydrophobicContact CG2-CD2 4.05Å; L453-L466 HydrophobicContact CD1-CD2 4.1Å; S462-L466 WeakPolarHBondContact O-CB 3.41Å; S462-L466 WeakPolarHBondContact O-CG 3.45Å; S462-L466 PolarHBondContact O-N 3.41Å; L466-T468 PolarHBondContact O-N 3.47Å
467	G	93.5	Very high	86.1	Confident	4 Å²	4	40.4 Å²	40.4	4%	0.041	25%	0.245	C	C	.	.			trans	-78.2	113	-173.5	0	0	0	0	0	112.6	A449 P450 W463	A449-G467 WeakPolarHBondContact CA-O 3.46Å; P450-G467 WeakPolarHBondContact CD-O 3.49Å; W463-G467 VanDerWaalsContact O-CA 3.3Å; W463-G467 WeakPolarHBondContact O-CA 3.44Å; W463-G467 PolarHBondContact O-N 3.46Å
468	T	94.4	Very high	85.7	Confident	17 Å²	17	47.8 Å²	47.8	10%	0.104	27%	0.269	C	S	.	.			trans	-96.7	-5.3	179.7	52.3	0	0	0	0	113.6	V425 D427 R447 L466 L470 R484	V425-T468 HydrophobicContact CG1-CG2 3.9Å; D427-T468 HydrophobicContact CB-CG2 4.37Å; D427-T468 VanDerWaalsContact OD2-CB 3.3Å; D427-T468 WeakPolarHBondContact OD2-CB 3.45Å; D427-T468 PolarHBondContact OD2-OG1 3.4Å; R447-T468 VanDerWaalsContact CB-O 3.29Å; R447-T468 WeakPolarHBondContact CB-O 3.32Å; L466-T468 PolarHBondContact O-N 3.47Å; T468-L470 PolarHBondContact O-N 3.11Å; T468-R484 PolarHBondContact O-NH1 2.71Å
469	N	90.5	Very high	85.7	Confident	30 Å²	30	46.2 Å²	46.2	16%	0.16	26%	0.262	C	S	.	.			trans	-60	133.4	-177.6	-159.1	-61.5	0	0	0	111.7	C363 G364 W463 S471 R484	C363-N469 WeakPolarHBondContact CA-ND2 3.44Å; C363-N469 PolarHBondContact O-ND2 2.79Å; G364-N469 PolarHBondContact N-ND2 3.24Å; G364-N469 VanDerWaalsContact N-ND2 3.12Å; W463-N469 HydrophobicContact CZ2-CB 4.35Å; N469-S471 WeakPolarHBondContact OD1-CB 3.24Å; N469-S471 PolarHBondContact OD1-N 3.44Å; N469-S471 PolarHBondContact OD1-OG 3.33Å; N469-R484 PolarHBondContact O-NH1 3.48Å; N469-R484 VanDerWaalsContact O-NH1 3.08Å; N469-R484 PolarHBondContact O-NH2 3.19Å
470	L	88.4	Confident	85.6	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.063	25%	0.249	C	C	.	.			trans	-87.5	-15.7	179.4	-56	-175.9	0	0	0	113.9	R447 T468 T472 T480 D481 R484 L485	R447-L470 HydrophobicContact CB-CD2 3.99Å; R447-L470 HydrophobicContact CB-CG 4.28Å; R447-L470 HydrophobicContact CG-CD1 3.95Å; R447-L470 HydrophobicContact CG-CD2 4.1Å; R447-L470 HydrophobicContact CG-CG 3.86Å; T468-L470 PolarHBondContact O-N 3.11Å; L470-T472 PolarHBondContact O-N 2.75Å; L470-T480 HydrophobicContact CB-CG2 3.7Å; L470-T480 HydrophobicContact CD1-CG2 4.26Å; L470-T480 CarbonylContact O-C 3.43Å; L470-T480 WeakPolarHBondContact O-CA 3.2Å; L470-D481 PolarHBondContact O-N 3.41Å; L470-R484 HydrophobicContact CD2-CB 3.78Å; L470-L485 HydrophobicContact CD1-CB 4.21Å; L470-L485 HydrophobicContact CD1-CD1 3.91Å
471	S	83.9	Confident	85.6	Confident	32 Å²	32	45.2 Å²	45.2	22%	0.224	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.1	-176.9	-62.2	0	0	0	0	111.1	K216 N469 G476 G479	K216-S471 VanDerWaalsContact NZ-CB 3.31Å; K216-S471 PolarHBondContact NZ-OG 3.47Å; N469-S471 WeakPolarHBondContact OD1-CB 3.24Å; N469-S471 PolarHBondContact OD1-N 3.44Å; N469-S471 PolarHBondContact OD1-OG 3.33Å; S471-G476 WeakPolarHBondContact CB-O 3.43Å; S471-G479 WeakPolarHBondContact CA-O 3.38Å
472	T	81.6	Confident	85.4	Confident	56 Å²	56	41.1 Å²	41.1	34%	0.344	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	158.4	176.7	62.9	0	0	0	0	111.3	L470 G476 T477 R478 G479 D481	L470-T472 PolarHBondContact O-N 2.75Å; T472-G476 CarbonylContact O-C 3.28Å; T472-G476 WeakPolarHBondContact O-CA 3.16Å; T472-T477 PolarHBondContact O-N 3.14Å; T472-R478 PolarHBondContact O-N 3.4Å; T472-R478 VanDerWaalsContact O-N 3.1Å; T472-G479 PolarHBondContact N-O 3.26Å; T472-G479 VanDerWaalsContact OG1-C 3.28Å; T472-G479 VanDerWaalsContact OG1-CA 3.28Å; T472-G479 WeakPolarHBondContact OG1-CA 3.26Å; T472-G479 PolarHBondContact OG1-N 3.33Å; T472-G479 PolarHBondContact OG1-O 3.44Å; T472-D481 HydrophobicContact CG2-CB 3.97Å
473	G	76.7	Confident	85.1	Confident	34 Å²	34	45.2 Å²	45.2	35%	0.351	27%	0.266	S	S	.	.	S	Bend	trans	95.4	153.8	-173.4	0	0	0	0	0	112.8	D475 G476	G473-D475 PolarHBondContact O-N 3.22Å; G473-G476 PolarHBondContact O-N 3.32Å
474	A	71.4	Confident	85.2	Confident	105 Å²	105	41.7 Å²	41.7	87%	0.868	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-33.5	-174.9	0	0	0	0	0	113.1
475	D	72.7	Confident	85.1	Confident	59 Å²	59	40.9 Å²	40.9	32%	0.316	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-3.3	175.5	65.8	-12.5	0	0	0	112.7	R280 V365 G473 T477	R280-D475 PolarHBondContact NH1-O 3.01Å; R280-D475 PolarHBondContact NH2-O 3.08Å; V365-D475 WeakPolarHBondContact CG2-O 3.28Å; G473-D475 PolarHBondContact O-N 3.22Å; D475-T477 HydrophobicContact CB-CG2 4.45Å; D475-T477 PolarHBondContact OD1-N 3.17Å; D475-T477 PolarHBondContact OD1-OG1 3.2Å; D475-T477 WeakPolarHBondContact OD2-CB 3.34Å; D475-T477 WeakPolarHBondContact OD2-CG2 3.36Å; D475-T477 PolarHBondContact OD2-OG1 3.06Å
476	G	73.8	Confident	85.1	Confident	3 Å²	3	40.9 Å²	40.9	3%	0.031	25%	0.248	C	C	.	.	S	Bend	trans	73	20.4	-174.8	0	0	0	0	0	115	K216 S471 T472 G473	K216-G476 WeakPolarHBondContact CE-O 3.39Å; K216-G476 PolarHBondContact NZ-O 3.13Å; S471-G476 WeakPolarHBondContact CB-O 3.43Å; T472-G476 CarbonylContact O-C 3.28Å; T472-G476 WeakPolarHBondContact O-CA 3.16Å; G473-G476 PolarHBondContact O-N 3.32Å
477	T	76.2	Confident	85	Confident	25 Å²	25	40.8 Å²	40.8	15%	0.153	25%	0.247	C	C	.	.			trans	-99.8	-21.4	-179.1	65.7	0	0	0	0	114.4	V214 T472 D475 G479	V214-T477 HydrophobicContact CG1-CG2 3.97Å; V214-T477 HydrophobicContact CG2-CG2 4.4Å; T472-T477 PolarHBondContact O-N 3.14Å; D475-T477 HydrophobicContact CB-CG2 4.45Å; D475-T477 PolarHBondContact OD1-N 3.17Å; D475-T477 PolarHBondContact OD1-OG1 3.2Å; D475-T477 WeakPolarHBondContact OD2-CB 3.34Å; D475-T477 WeakPolarHBondContact OD2-CG2 3.36Å; D475-T477 PolarHBondContact OD2-OG1 3.06Å; T477-G479 PolarHBondContact O-N 3.31Å
478	R	78.4	Confident	84.9	Confident	181 Å²	181	40.7 Å²	40.7	68%	0.683	25%	0.246	S	C	*	.	S	Bend	trans	-64.9	-35.6	-169.2	-68	-172.2	177.1	-176.2	-3.3	114.4	T472	T472-R478 PolarHBondContact O-N 3.4Å; T472-R478 VanDerWaalsContact O-N 3.1Å
479	G	83.1	Confident	84.8	Confident	17 Å²	17	40 Å²	40	18%	0.175	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-165.4	-177.3	0	0	0	0	0	113.8	K216 S471 T472 T477	K216-G479 PolarHBondContact NZ-O 3.5Å; S471-G479 WeakPolarHBondContact CA-O 3.38Å; T472-G479 PolarHBondContact N-O 3.26Å; T472-G479 VanDerWaalsContact OG1-C 3.28Å; T472-G479 VanDerWaalsContact OG1-CA 3.28Å; T472-G479 WeakPolarHBondContact OG1-CA 3.26Å; T472-G479 PolarHBondContact OG1-N 3.33Å; T472-G479 PolarHBondContact OG1-O 3.44Å; T477-G479 PolarHBondContact O-N 3.31Å
480	T	83.4	Confident	84.9	Confident	44 Å²	44	43.2 Å²	43.2	27%	0.27	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.8	176.9	-55.1	0	0	0	0	108.5	L470 T482	L470-T480 HydrophobicContact CB-CG2 3.7Å; L470-T480 HydrophobicContact CD1-CG2 4.26Å; L470-T480 CarbonylContact O-C 3.43Å; L470-T480 WeakPolarHBondContact O-CA 3.2Å; T480-T482 HydrophobicContact CG2-CG2 4.41Å; T480-T482 PolarHBondContact O-N 3.43Å
481	D	88.5	Confident	84.9	Confident	46 Å²	46	47.7 Å²	47.7	25%	0.246	28%	0.28	C	S	.	.			trans	-82.4	90.6	173.4	-179.3	4.5	0	0	0	109.7	L470 T472 S483 R484	L470-D481 PolarHBondContact O-N 3.41Å; T472-D481 HydrophobicContact CG2-CB 3.97Å; D481-S483 PolarHBondContact O-N 3.31Å; D481-S483 WeakPolarHBondContact OD1-CB 3.31Å; D481-S483 PolarHBondContact OD1-N 2.73Å; D481-S483 PolarHBondContact OD1-OG 2.74Å; D481-R484 IonicContact OD2-CZ 3.55Å; D481-R484 IonicContact OD2-NE 2.74Å; D481-R484 PolarHBondContact OD2-NE 2.67Å; D481-R484 IonicContact OD2-NH2 3.61Å; D481-R484 PolarHBondContact OD2-NH2 3.13Å
482	T	86.7	Confident	85.3	Confident	43 Å²	43	48 Å²	48	26%	0.264	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-71.2	-16.6	-179.4	56.1	0	0	0	0	112.7	Y90 T480 R484 L485	Y90-T482 HydrophobicContact CD1-CG2 4.06Å; Y90-T482 HydrophobicContact CE1-CG2 3.99Å; Y90-T482 HydrophobicContact CE2-CG2 4.48Å; Y90-T482 HydrophobicContact CG-CG2 4.37Å; T480-T482 HydrophobicContact CG2-CG2 4.41Å; T480-T482 PolarHBondContact O-N 3.43Å; T482-R484 PolarHBondContact O-N 2.97Å; T482-R484 VanDerWaalsContact O-N 3.13Å; T482-L485 WeakPolarHBondContact O-CB 3.25Å; T482-L485 PolarHBondContact O-N 3.32Å
483	S	89.5	Confident	85.8	Confident	86 Å²	86	45.7 Å²	45.7	60%	0.601	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17.5	179	77.7	0	0	0	0	114.1	D481	D481-S483 PolarHBondContact O-N 3.31Å; D481-S483 WeakPolarHBondContact OD1-CB 3.31Å; D481-S483 PolarHBondContact OD1-N 2.73Å; D481-S483 PolarHBondContact OD1-OG 2.74Å
484	R	93.2	Very high	86.5	Confident	21 Å²	21	47 Å²	47	8%	0.079	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-103.8	0.7	176.2	-65.4	-172.6	-63.6	116.9	-2.8	113.6	R448 T468 N469 L470 D481 T482	R448-R484 PolarHBondContact N-O 2.97Å; R448-R484 WeakPolarHBondContact O-CD 3.23Å; R448-R484 PolarHBondContact O-NH1 2.67Å; T468-R484 PolarHBondContact O-NH1 2.71Å; N469-R484 PolarHBondContact O-NH1 3.48Å; N469-R484 VanDerWaalsContact O-NH1 3.08Å; N469-R484 PolarHBondContact O-NH2 3.19Å; L470-R484 HydrophobicContact CD2-CB 3.78Å; D481-R484 IonicContact OD2-CZ 3.55Å; D481-R484 IonicContact OD2-NE 2.74Å; D481-R484 PolarHBondContact OD2-NE 2.67Å; D481-R484 IonicContact OD2-NH2 3.61Å; D481-R484 PolarHBondContact OD2-NH2 3.13Å; T482-R484 PolarHBondContact O-N 2.97Å; T482-R484 VanDerWaalsContact O-N 3.13Å
485	L	92.5	Very high	87.5	Confident	23 Å²	23	42.7 Å²	42.7	12%	0.12	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129	171.5	-176.8	64.9	0	0	0	108.5	Y90 Y445 L470 T482 L487	Y90-L485 HydrophobicContact CD2-CD2 3.97Å; Y90-L485 HydrophobicContact CE2-CD2 4.22Å; Y445-L485 HydrophobicContact CD2-CD1 3.34Å; Y445-L485 HydrophobicContact CE2-CD1 3.98Å; Y445-L485 HydrophobicContact CG-CD1 3.99Å; L470-L485 HydrophobicContact CD1-CB 4.21Å; L470-L485 HydrophobicContact CD1-CD1 3.91Å; T482-L485 WeakPolarHBondContact O-CB 3.25Å; T482-L485 PolarHBondContact O-N 3.32Å; L485-L487 HydrophobicContact CD2-CD2 3.52Å; L485-L487 HydrophobicContact CG-CD2 3.86Å
486	I	93.7	Very high	88.5	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.2	170.4	-58.2	168.9	0	0	0	106.4	A426 G446 R448 T492 M496	A426-I486 HydrophobicContact CB-CD1 4.44Å; G446-I486 PolarHBondContact N-O 3.22Å; G446-I486 PolarHBondContact O-N 3.27Å; R448-I486 HydrophobicContact CB-CD1 4.06Å; I486-T492 WeakPolarHBondContact CG2-O 3.04Å; I486-M496 HydrophobicContact CB-CG 4.48Å; I486-M496 HydrophobicContact CB-SD 4.28Å; I486-M496 HydrophobicContact CD1-CG 4.28Å; I486-M496 HydrophobicContact CD1-SD 3.4Å; I486-M496 WeakPolarHBondContact CD1-SD 3.44Å; I486-M496 HydrophobicContact CG1-SD 4.42Å; I486-M496 HydrophobicContact CG2-CG 3.79Å; I486-M496 HydrophobicContact CG2-SD 4.21Å
487	L	92.1	Very high	89.2	Confident	14 Å²	14	43.2 Å²	43.2	7%	0.073	24%	0.238	C	C	.	.			trans	-71.7	152.6	178.4	-60.1	179.1	0	0	0	109.5	E92 V93 S173 L485 D489 T492 F493	E92-L487 HydrophobicContact CB-CD1 4.17Å; V93-L487 HydrophobicContact CG2-CD1 4.31Å; V93-L487 HydrophobicContact CG2-CD2 3.77Å; S173-L487 WeakPolarHBondContact O-CD2 3.34Å; L485-L487 HydrophobicContact CD2-CD2 3.52Å; L485-L487 HydrophobicContact CG-CD2 3.86Å; L487-D489 HydrophobicContact CB-CB 4.2Å; L487-D489 PolarHBondContact O-N 3.29Å; L487-D489 VanDerWaalsContact O-N 3.13Å; L487-T492 WeakPolarHBondContact CA-OG1 3.44Å; L487-T492 WeakPolarHBondContact CB-OG1 3.41Å; L487-T492 PolarHBondContact N-OG1 3.35Å; L487-T492 VanDerWaalsContact N-OG1 3.16Å; L487-T492 PolarHBondContact O-OG1 3.2Å; L487-F493 PolarHBondContact O-N 3.5Å
488	V	91.9	Very high	90	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	24%	0.235	C	C	.	.	S	Bend	trans	-86.6	42.4	171.6	-71.7	0	0	0	0	110.9	H99 V102 V174 I444 F493	H99-V488 PolarHBondContact N-O 3Å; V102-V488 HydrophobicContact CB-CB 4.38Å; V102-V488 HydrophobicContact CG1-CB 3.96Å; V102-V488 HydrophobicContact CG1-CG1 4.33Å; V102-V488 HydrophobicContact CG1-CG2 4.14Å; V102-V488 HydrophobicContact CG2-CB 4.01Å; V102-V488 HydrophobicContact CG2-CG1 4.27Å; V174-V488 HydrophobicContact CG1-CG2 4.16Å; I444-V488 HydrophobicContact CB-CG1 4.11Å; I444-V488 HydrophobicContact CG2-CG1 3.87Å; I444-V488 VanDerWaalsContact O-CG1 3.3Å; I444-V488 WeakPolarHBondContact O-CG1 3.4Å; I444-V488 WeakPolarHBondContact O-CG2 3.5Å; V488-F493 HydrophobicContact CB-CD2 4.31Å; V488-F493 HydrophobicContact CG1-CD2 4Å; V488-F493 HydrophobicContact CG1-CE2 4.34Å
489	D	92.5	Very high	90.8	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-102.3	169.7	-178.2	71.6	7	0	0	0	112.3	S96 R97 P175 L487 N491 T492 F493	S96-D489 WeakPolarHBondContact CB-OD2 3.45Å; S96-D489 PolarHBondContact OG-OD2 2.87Å; R97-D489 CarbonylContact O-C 3.24Å; R97-D489 WeakPolarHBondContact O-CA 3.3Å; R97-D489 WeakPolarHBondContact O-CB 3.24Å; P175-D489 HydrophobicContact CG-CB 4.13Å; L487-D489 HydrophobicContact CB-CB 4.2Å; L487-D489 PolarHBondContact O-N 3.29Å; L487-D489 VanDerWaalsContact O-N 3.13Å; D489-N491 PolarHBondContact O-N 3.15Å; D489-N491 VanDerWaalsContact O-N 3.11Å; D489-N491 PolarHBondContact OD1-N 3.31Å; D489-N491 VanDerWaalsContact OD1-N 3.13Å; D489-T492 WeakPolarHBondContact OD1-CB 3.08Å; D489-T492 PolarHBondContact OD1-N 3.11Å; D489-T492 PolarHBondContact OD1-OG1 2.9Å; D489-F493 WeakPolarHBondContact O-CB 3.02Å; D489-F493 PolarHBondContact O-N 3.29Å; D489-F493 VanDerWaalsContact O-N 3.11Å
490	E	91.9	Very high	91.4	Very high	97 Å²	97	36.5 Å²	36.5	45%	0.453	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.5	178.7	-66.3	178.6	157	0	0	113.3	R97	R97-E490 HydrophobicContact CB-CG 4.42Å; R97-E490 PolarHBondContact O-N 3.45Å
491	N	90	Very high	92.1	Very high	106 Å²	106	37.9 Å²	37.9	57%	0.567	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-40.1	-174	-69.1	-40.1	0	0	0	113.4	K417 D489	K417-N491 PolarHBondContact NZ-O 3.21Å; D489-N491 PolarHBondContact O-N 3.15Å; D489-N491 VanDerWaalsContact O-N 3.11Å; D489-N491 PolarHBondContact OD1-N 3.31Å; D489-N491 VanDerWaalsContact OD1-N 3.13Å
492	T	91	Very high	92.5	Very high	39 Å²	39	37.4 Å²	37.4	24%	0.239	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-19.5	-166.3	61	0	0	0	0	113.4	I486 L487 D489 S494 D495	I486-T492 WeakPolarHBondContact CG2-O 3.04Å; L487-T492 WeakPolarHBondContact CA-OG1 3.44Å; L487-T492 WeakPolarHBondContact CB-OG1 3.41Å; L487-T492 PolarHBondContact N-OG1 3.35Å; L487-T492 VanDerWaalsContact N-OG1 3.16Å; L487-T492 PolarHBondContact O-OG1 3.2Å; D489-T492 WeakPolarHBondContact OD1-CB 3.08Å; D489-T492 PolarHBondContact OD1-N 3.11Å; D489-T492 PolarHBondContact OD1-OG1 2.9Å; T492-S494 PolarHBondContact O-N 3.33Å; T492-D495 VanDerWaalsContact O-CB 3.24Å; T492-D495 WeakPolarHBondContact O-CB 3.43Å; T492-D495 PolarHBondContact O-N 3.4Å
493	F	92.4	Very high	93.1	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.031	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-58.6	-36.2	-178.4	-178.2	-112.1	0	0	0	112.8	H99 V102 L487 V488 D489 D495 M496 I498 L503	H99-F493 HydrophobicContact CB-CB 3.99Å; H99-F493 HydrophobicContact CB-CD1 3.95Å; H99-F493 HydrophobicContact CB-CG 4.06Å; H99-F493 AromaticContact CD2-CD1 3.69Å; H99-F493 AromaticContact CE1-CD1 3.79Å; H99-F493 AromaticContact CG-CD1 3.44Å; H99-F493 VanDerWaalsContact CG-CD1 3.44Å; H99-F493 AromaticContact ND1-CD1 3.5Å; H99-F493 AromaticContact ND1-CE1 3.85Å; H99-F493 AromaticContact NE2-CD1 3.9Å; V102-F493 HydrophobicContact CG2-CD1 4.18Å; V102-F493 HydrophobicContact CG2-CD2 3.78Å; V102-F493 HydrophobicContact CG2-CE1 3.92Å; V102-F493 HydrophobicContact CG2-CE2 3.5Å; V102-F493 VanDerWaalsContact CG2-CE2 3.5Å; V102-F493 HydrophobicContact CG2-CG 4.12Å; V102-F493 HydrophobicContact CG2-CZ 3.58Å; L487-F493 PolarHBondContact O-N 3.5Å; V488-F493 HydrophobicContact CB-CD2 4.31Å; V488-F493 HydrophobicContact CG1-CD2 4Å; V488-F493 HydrophobicContact CG1-CE2 4.34Å; D489-F493 WeakPolarHBondContact O-CB 3.02Å; D489-F493 PolarHBondContact O-N 3.29Å; D489-F493 VanDerWaalsContact O-N 3.11Å; F493-D495 PolarHBondContact O-N 3.23Å; F493-M496 WeakPolarHBondContact O-CB 3.11Å; F493-M496 PolarHBondContact O-N 3.42Å; F493-M496 VanDerWaalsContact O-N 3.15Å; F493-I498 HydrophobicContact CE2-CG2 4.46Å; F493-I498 HydrophobicContact CZ-CB 4.49Å; F493-I498 HydrophobicContact CZ-CG2 4.05Å; F493-L503 HydrophobicContact CE2-CD2 4.49Å; F493-L503 HydrophobicContact CZ-CD1 3.88Å; F493-L503 HydrophobicContact CZ-CD2 4.42Å; F493-L503 HydrophobicContact CZ-CG 4.34Å
494	S	91.5	Very high	93.5	Very high	62 Å²	62	31.2 Å²	31.2	43%	0.434	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-58.8	-27.3	176.9	49.1	0	0	0	0	113.9	T492 M496 S497	T492-S494 PolarHBondContact O-N 3.33Å; S494-M496 PolarHBondContact O-N 2.7Å; S494-S497 PolarHBondContact O-N 2.68Å; S494-S497 VanDerWaalsContact O-N 3.11Å
495	D	92.7	Very high	93.7	Very high	14 Å²	14	30.4 Å²	30.4	8%	0.075	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-60	-35.1	178.5	-67.2	2.9	0	0	0	111.3	C414 C415 P416 K417 T492 F493 S497	C414-D495 WeakPolarHBondContact CA-O 3.31Å; C414-D495 WeakPolarHBondContact CB-O 3.43Å; C415-D495 PolarHBondContact N-O 3.01Å; P416-D495 WeakPolarHBondContact CA-OD2 3.45Å; K417-D495 WeakPolarHBondContact CG-OD1 3.36Å; K417-D495 PolarHBondContact N-OD1 3.1Å; T492-D495 VanDerWaalsContact O-CB 3.24Å; T492-D495 WeakPolarHBondContact O-CB 3.43Å; T492-D495 PolarHBondContact O-N 3.4Å; F493-D495 PolarHBondContact O-N 3.23Å; D495-S497 PolarHBondContact O-N 3.49Å
496	M	92.8	Very high	94	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.049	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-66	-18.4	-179.5	-69.7	-65.7	-69	0	0	113.6	C414 A426 D427 L428 I486 F493 S494 I498	C414-M496 HydrophobicContact CB-SD 4.38Å; A426-M496 HydrophobicContact CB-CE 4.09Å; A426-M496 HydrophobicContact CB-SD 3.84Å; D427-M496 WeakPolarHBondContact O-CE 3.28Å; L428-M496 HydrophobicContact CB-CE 4.17Å; I486-M496 HydrophobicContact CB-CG 4.48Å; I486-M496 HydrophobicContact CB-SD 4.28Å; I486-M496 HydrophobicContact CD1-CG 4.28Å; I486-M496 HydrophobicContact CD1-SD 3.4Å; I486-M496 WeakPolarHBondContact CD1-SD 3.44Å; I486-M496 HydrophobicContact CG1-SD 4.42Å; I486-M496 HydrophobicContact CG2-CG 3.79Å; I486-M496 HydrophobicContact CG2-SD 4.21Å; F493-M496 WeakPolarHBondContact O-CB 3.11Å; F493-M496 PolarHBondContact O-N 3.42Å; F493-M496 VanDerWaalsContact O-N 3.15Å; S494-M496 PolarHBondContact O-N 2.7Å; M496-I498 HydrophobicContact CB-CB 4.2Å; M496-I498 HydrophobicContact CB-CD1 4.21Å; M496-I498 HydrophobicContact CB-CG1 4.24Å; M496-I498 HydrophobicContact CE-CD1 3.78Å; M496-I498 PolarHBondContact O-N 3.02Å
497	S	90.3	Very high	94.2	Very high	62 Å²	62	29.1 Å²	29.1	43%	0.434	17%	0.167	S	C	.	.			trans	54	35	-174.1	-55.2	0	0	0	0	113.1	R149 S494 D495	R149-S497 PolarHBondContact NH1-O 3.03Å; S494-S497 PolarHBondContact O-N 2.68Å; S494-S497 VanDerWaalsContact O-N 3.11Å; D495-S497 PolarHBondContact O-N 3.49Å
498	I	92.9	Very high	94.5	Very high	15 Å²	15	28.5 Å²	28.5	8%	0.077	16%	0.163	C	C	.	.			trans	-108.3	133.3	-178.9	-80	175.5	0	0	0	109.2	M159 L428 F493 M496 E502 L503	M159-I498 HydrophobicContact CE-CD1 4.38Å; L428-I498 HydrophobicContact CD1-CD1 3.85Å; F493-I498 HydrophobicContact CE2-CG2 4.46Å; F493-I498 HydrophobicContact CZ-CB 4.49Å; F493-I498 HydrophobicContact CZ-CG2 4.05Å; M496-I498 HydrophobicContact CB-CB 4.2Å; M496-I498 HydrophobicContact CB-CD1 4.21Å; M496-I498 HydrophobicContact CB-CG1 4.24Å; M496-I498 HydrophobicContact CE-CD1 3.78Å; M496-I498 PolarHBondContact O-N 3.02Å; I498-E502 HydrophobicContact CG1-CB 4.44Å; I498-E502 HydrophobicContact CG2-CB 3.93Å; I498-L503 HydrophobicContact CG2-CD2 3.95Å; I498-L503 HydrophobicContact CG2-CG 3.85Å
499	G	94.4	Very high	94.9	Very high	30 Å²	30	28.4 Å²	28.4	31%	0.309	16%	0.162	S	C	.	.			trans	-103.9	-171.6	173.8	0	0	0	0	0	113.1	D501 E502 L503	G499-D501 VanDerWaalsContact C-N 3.35Å; G499-D501 PolarHBondContact O-N 2.8Å; G499-E502 PolarHBondContact N-OE2 3.48Å; G499-E502 PolarHBondContact O-N 2.96Å; G499-L503 WeakPolarHBondContact O-CG 3.34Å; G499-L503 PolarHBondContact O-N 2.87Å
500	Y	96.8	Very high	95.2	Very high	37 Å²	37	28.2 Å²	28.2	15%	0.145	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-40.6	178.3	-171.1	-109.3	0	0	0	112.4	T101 E104 L105 S108 H116 E502 L503 V504	T101-Y500 HydrophobicContact CG2-CD2 3.96Å; T101-Y500 HydrophobicContact CG2-CG 4.34Å; E104-Y500 HydrophobicContact CB-CE2 4.26Å; E104-Y500 HydrophobicContact CG-CD2 4.44Å; E104-Y500 HydrophobicContact CG-CE2 3.78Å; L105-Y500 HydrophobicContact CB-CE2 4.06Å; L105-Y500 HydrophobicContact CD1-CE2 4.2Å; S108-Y500 PolarHBondContact OG-OH 3.19Å; H116-Y500 HydrophobicContact CB-CE1 4.49Å; H116-Y500 AromaticContact CD2-CD1 4Å; H116-Y500 AromaticContact CD2-CE1 3.92Å; H116-Y500 AromaticContact CE1-CD1 3.69Å; H116-Y500 AromaticContact CE1-CE1 3.89Å; H116-Y500 AromaticContact CG-CE1 3.81Å; H116-Y500 AromaticContact ND1-CE1 3.82Å; H116-Y500 AromaticContact NE2-CD1 3.61Å; H116-Y500 AromaticContact NE2-CE1 3.95Å; Y500-E502 PolarHBondContact O-N 3.44Å; Y500-L503 WeakPolarHBondContact O-CB 3.28Å; Y500-L503 PolarHBondContact O-N 2.95Å; Y500-L503 VanDerWaalsContact O-N 3.15Å; Y500-V504 HydrophobicContact CD1-CG2 4.02Å; Y500-V504 HydrophobicContact CE1-CG2 3.66Å; Y500-V504 HydrophobicContact CE2-CG2 4.33Å; Y500-V504 WeakPolarHBondContact O-CG2 3.42Å; Y500-V504 PolarHBondContact O-N 3.27Å
501	D	97.2	Very high	95.5	Very high	73 Å²	73	23.6 Å²	23.6	39%	0.39	14%	0.14	S	C	.	.	H	α-helix	trans	-58	-46.2	178.9	-69	0.2	0	0	0	112.6	H116 I120 G499 V504 E505	H116-D501 IonicContact CD2-OD1 3.66Å; H116-D501 IonicContact CE1-OD1 2.68Å; H116-D501 PolarHBondContact CE1-OD1 3.32Å; H116-D501 IonicContact NE2-OD1 3.36Å; H116-D501 PolarHBondContact NE2-OD1 2.82Å; I120-D501 HydrophobicContact CD1-CB 4.19Å; G499-D501 VanDerWaalsContact C-N 3.35Å; G499-D501 PolarHBondContact O-N 2.8Å; D501-V504 PolarHBondContact O-N 3.34Å; D501-E505 PolarHBondContact O-N 3.46Å
502	E	97.3	Very high	95.9	Very high	36 Å²	36	18.5 Å²	18.5	17%	0.168	11%	0.113	C	C	.	.	H	α-helix	trans	-68.9	-34.9	177.3	-73.3	87.1	-163.6	0	0	112.3	R149 M159 I498 G499 Y500 E505 C506	R149-E502 HydrophobicContact CG-CG 4.46Å; R149-E502 IonicContact CZ-OE1 2.74Å; R149-E502 IonicContact NE-OE1 3.63Å; R149-E502 IonicContact NH2-OE1 2.67Å; R149-E502 PolarHBondContact NH2-OE1 2.89Å; R149-E502 IonicContact NH2-OE2 3.38Å; M159-E502 HydrophobicContact CG-CB 4.36Å; M159-E502 WeakPolarHBondContact CG-O 3.47Å; M159-E502 HydrophobicContact SD-CB 4.1Å; M159-E502 HydrophobicContact SD-CG 4.23Å; I498-E502 HydrophobicContact CG1-CB 4.44Å; I498-E502 HydrophobicContact CG2-CB 3.93Å; G499-E502 PolarHBondContact N-OE2 3.48Å; G499-E502 PolarHBondContact O-N 2.96Å; Y500-E502 PolarHBondContact O-N 3.44Å; E502-E505 PolarHBondContact O-N 3.37Å; E502-C506 PolarHBondContact O-N 2.93Å; E502-C506 PolarHBondContact O-SG 3.41Å
503	L	97.7	Very high	96.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-41.8	174.3	-76.2	-178.3	0	0	0	112	T101 V102 L105 L428 F493 I498 G499 Y500 C506 Y507	T101-L503 HydrophobicContact CG2-CD1 4.13Å; V102-L503 HydrophobicContact CG2-CD1 4Å; L105-L503 HydrophobicContact CD1-CB 4.32Å; L105-L503 HydrophobicContact CD2-CB 3.81Å; L105-L503 HydrophobicContact CD2-CD1 4.47Å; L428-L503 HydrophobicContact CD1-CD2 4.03Å; F493-L503 HydrophobicContact CE2-CD2 4.49Å; F493-L503 HydrophobicContact CZ-CD1 3.88Å; F493-L503 HydrophobicContact CZ-CD2 4.42Å; F493-L503 HydrophobicContact CZ-CG 4.34Å; I498-L503 HydrophobicContact CG2-CD2 3.95Å; I498-L503 HydrophobicContact CG2-CG 3.85Å; G499-L503 WeakPolarHBondContact O-CG 3.34Å; G499-L503 PolarHBondContact O-N 2.87Å; Y500-L503 WeakPolarHBondContact O-CB 3.28Å; Y500-L503 PolarHBondContact O-N 2.95Å; Y500-L503 VanDerWaalsContact O-N 3.15Å; L503-C506 WeakPolarHBondContact O-CB 3.46Å; L503-C506 PolarHBondContact O-N 2.95Å; L503-Y507 PolarHBondContact O-N 2.82Å
504	V	98.4	Very high	96.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-46.6	172.5	162.8	0	0	0	0	110.4	L105 I113 Y117 Y500 D501 C506 Y507 V508	L105-V504 HydrophobicContact CD1-CG2 3.74Å; I113-V504 HydrophobicContact CG2-CB 4.37Å; I113-V504 HydrophobicContact CG2-CG1 3.78Å; I113-V504 HydrophobicContact CG2-CG2 4.2Å; Y117-V504 HydrophobicContact CD2-CG1 4.16Å; Y117-V504 HydrophobicContact CG-CG1 4.48Å; Y500-V504 HydrophobicContact CD1-CG2 4.02Å; Y500-V504 HydrophobicContact CE1-CG2 3.66Å; Y500-V504 HydrophobicContact CE2-CG2 4.33Å; Y500-V504 WeakPolarHBondContact O-CG2 3.42Å; Y500-V504 PolarHBondContact O-N 3.27Å; D501-V504 PolarHBondContact O-N 3.34Å; V504-C506 VanDerWaalsContact C-N 3.31Å; V504-C506 PolarHBondContact O-N 3.01Å; V504-Y507 PolarHBondContact O-N 2.89Å; V504-V508 WeakPolarHBondContact O-CG2 3.15Å; V504-V508 PolarHBondContact O-N 3Å
505	E	98.4	Very high	96.9	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.019	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-37.3	175.6	-169.1	171.8	151.5	0	0	111.7	Y117 R121 R158 M159 N330 D501 E502 Y507 V508 Q509	Y117-E505 HydrophobicContact CE2-CG 4.24Å; R121-E505 IonicContact CZ-OE2 2.75Å; R121-E505 IonicContact NE-OE2 3.61Å; R121-E505 IonicContact NH2-OE2 3.88Å; R121-E505 PolarHBondContact NH2-OE2 2.85Å; R158-E505 WeakPolarHBondContact CA-OE1 3.41Å; R158-E505 WeakPolarHBondContact CD-OE1 3.44Å; M159-E505 HydrophobicContact CB-CB 4.4Å; M159-E505 HydrophobicContact CB-CG 4.03Å; M159-E505 HydrophobicContact CG-CB 4.05Å; M159-E505 HydrophobicContact CG-CG 4.17Å; M159-E505 PolarHBondContact N-OE1 3.33Å; N330-E505 PolarHBondContact ND2-OE1 3.17Å; D501-E505 PolarHBondContact O-N 3.46Å; E502-E505 PolarHBondContact O-N 3.37Å; E505-Y507 PolarHBondContact O-N 2.82Å; E505-V508 PolarHBondContact O-N 3.45Å; E505-Q509 HydrophobicContact CG-CG 4.06Å; E505-Q509 VanDerWaalsContact O-CB 3.31Å; E505-Q509 WeakPolarHBondContact O-CB 3.3Å; E505-Q509 WeakPolarHBondContact O-CG 3.34Å; E505-Q509 PolarHBondContact O-N 2.86Å
506	C	98.4	Very high	97.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-47.3	174	-70.4	0	0	0	0	112.1	L147 M159 L428 F430 E502 L503 V504 T510	L147-C506 HydrophobicContact CD1-CB 4.29Å; L147-C506 HydrophobicContact CD2-CB 4.22Å; M159-C506 WeakPolarHBondContact CE-SG 3.11Å; L428-C506 HydrophobicContact CD2-CB 4.39Å; F430-C506 HydrophobicContact CD2-CB 3.5Å; F430-C506 VanDerWaalsContact CD2-CB 3.5Å; F430-C506 HydrophobicContact CE2-CB 3.94Å; F430-C506 HydrophobicContact CG-CB 4.31Å; E502-C506 PolarHBondContact O-N 2.93Å; E502-C506 PolarHBondContact O-SG 3.41Å; L503-C506 WeakPolarHBondContact O-CB 3.46Å; L503-C506 PolarHBondContact O-N 2.95Å; V504-C506 VanDerWaalsContact C-N 3.31Å; V504-C506 PolarHBondContact O-N 3.01Å; C506-T510 WeakPolarHBondContact O-CB 3.18Å; C506-T510 PolarHBondContact O-N 2.88Å; C506-T510 PolarHBondContact O-OG1 2.87Å
507	Y	98.4	Very high	97.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-51.5	178.6	178.5	-116.3	0	0	0	110.8	N110 I113 M133 F430 I432 W439 T440 P441 L503 V504 E505 Q509 T510 V511	N110-Y507 WeakPolarHBondContact OD1-CE1 3.4Å; N110-Y507 PolarHBondContact OD1-OH 3.35Å; I113-Y507 HydrophobicContact CB-CD1 4.37Å; I113-Y507 HydrophobicContact CD1-CD1 3.68Å; I113-Y507 HydrophobicContact CD1-CE1 3.68Å; I113-Y507 HydrophobicContact CD1-CG 4.38Å; I113-Y507 HydrophobicContact CG2-CD1 3.69Å; I113-Y507 HydrophobicContact CG2-CE1 4.33Å; M133-Y507 HydrophobicContact CE-CD1 3.96Å; M133-Y507 HydrophobicContact CE-CE1 3.42Å; M133-Y507 VanDerWaalsContact CE-CE1 3.42Å; F430-Y507 AromaticContact CE1-CD2 3.7Å; F430-Y507 HydrophobicContact CE1-CD2 3.7Å; F430-Y507 HydrophobicContact CE1-CG 4.45Å; F430-Y507 AromaticContact CZ-CD2 3.95Å; F430-Y507 HydrophobicContact CZ-CD2 3.95Å; F430-Y507 HydrophobicContact CZ-CG 4.3Å; I432-Y507 HydrophobicContact CG2-CD2 3.71Å; I432-Y507 HydrophobicContact CG2-CE2 3.61Å; W439-Y507 WeakPolarHBondContact CB-OH 3.29Å; W439-Y507 PolarHBondContact O-OH 3.33Å; T440-Y507 PolarHBondContact N-OH 2.77Å; P441-Y507 HydrophobicContact CB-CD2 4.24Å; P441-Y507 HydrophobicContact CB-CE2 4.29Å; L503-Y507 PolarHBondContact O-N 2.82Å; V504-Y507 PolarHBondContact O-N 2.89Å; E505-Y507 PolarHBondContact O-N 2.82Å; Y507-Q509 PolarHBondContact O-N 3.49Å; Y507-T510 PolarHBondContact O-N 3.27Å; Y507-V511 HydrophobicContact CD1-CG2 4.41Å; Y507-V511 HydrophobicContact CD2-CG2 4.11Å; Y507-V511 HydrophobicContact CE1-CG2 4.11Å; Y507-V511 HydrophobicContact CE2-CG2 3.69Å; Y507-V511 HydrophobicContact CG-CG2 4.46Å; Y507-V511 WeakPolarHBondContact O-CG2 3.38Å; Y507-V511 PolarHBondContact O-N 2.88Å
508	V	98.6	Very high	97.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.9	-50.9	179.5	171.5	0	0	0	0	110.7	I113 Y117 L129 V504 E505 T510 V511 L512	I113-V508 HydrophobicContact CG2-CG2 4.42Å; Y117-V508 HydrophobicContact CD1-CG1 4.45Å; Y117-V508 HydrophobicContact CD1-CG2 4.44Å; Y117-V508 HydrophobicContact CD2-CB 4.07Å; Y117-V508 HydrophobicContact CD2-CG1 4.22Å; Y117-V508 HydrophobicContact CD2-CG2 3.74Å; Y117-V508 HydrophobicContact CE1-CG1 4.12Å; Y117-V508 HydrophobicContact CE2-CB 4.07Å; Y117-V508 HydrophobicContact CE2-CG1 3.89Å; Y117-V508 HydrophobicContact CE2-CG2 4.24Å; Y117-V508 HydrophobicContact CG-CG1 4.48Å; Y117-V508 HydrophobicContact CG-CG2 3.84Å; L129-V508 HydrophobicContact CD1-CG1 3.87Å; L129-V508 HydrophobicContact CD1-CG2 4.42Å; L129-V508 HydrophobicContact CD2-CG2 4.46Å; V504-V508 WeakPolarHBondContact O-CG2 3.15Å; V504-V508 PolarHBondContact O-N 3Å; E505-V508 PolarHBondContact O-N 3.45Å; V508-T510 VanDerWaalsContact C-N 3.28Å; V508-T510 PolarHBondContact O-N 2.78Å; V508-V511 PolarHBondContact O-N 2.68Å; V508-V511 VanDerWaalsContact O-N 3.13Å; V508-L512 HydrophobicContact CG1-CD1 3.98Å; V508-L512 HydrophobicContact CG1-CG 4.14Å; V508-L512 VanDerWaalsContact O-CG 3.28Å; V508-L512 WeakPolarHBondContact O-CG 3.18Å; V508-L512 PolarHBondContact O-N 3.27Å
509	Q	98.8	Very high	98	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.4	-38.7	179.3	-70.4	-63.5	-48.9	0	0	112.5	L147 I161 K328 N330 E505 Y507 A513	L147-Q509 HydrophobicContact CD2-CB 3.96Å; I161-Q509 HydrophobicContact CD1-CB 4.03Å; I161-Q509 HydrophobicContact CG1-CB 4.15Å; K328-Q509 PolarHBondContact O-NE2 2.82Å; K328-Q509 PolarHBondContact O-OE1 2.95Å; N330-Q509 PolarHBondContact ND2-NE2 3.24Å; E505-Q509 HydrophobicContact CG-CG 4.06Å; E505-Q509 VanDerWaalsContact O-CB 3.31Å; E505-Q509 WeakPolarHBondContact O-CB 3.3Å; E505-Q509 WeakPolarHBondContact O-CG 3.34Å; E505-Q509 PolarHBondContact O-N 2.86Å; Y507-Q509 PolarHBondContact O-N 3.49Å; Q509-A513 WeakPolarHBondContact O-CB 3.48Å; Q509-A513 PolarHBondContact O-N 3.07Å
510	T	98.7	Very high	98.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.5	-43.4	176.1	-53.6	0	0	0	0	111.3	A145 M164 I432 C506 Y507 V508 A514	A145-T510 HydrophobicContact CB-CG2 3.69Å; A145-T510 WeakPolarHBondContact CB-OG1 3.38Å; M164-T510 HydrophobicContact CE-CG2 4.2Å; I432-T510 HydrophobicContact CD1-CG2 3.68Å; I432-T510 HydrophobicContact CG1-CG2 3.81Å; I432-T510 HydrophobicContact CG2-CG2 3.99Å; C506-T510 WeakPolarHBondContact O-CB 3.18Å; C506-T510 PolarHBondContact O-N 2.88Å; C506-T510 PolarHBondContact O-OG1 2.87Å; Y507-T510 PolarHBondContact O-N 3.27Å; V508-T510 VanDerWaalsContact C-N 3.28Å; V508-T510 PolarHBondContact O-N 2.78Å; T510-A514 VanDerWaalsContact O-CB 3.24Å; T510-A514 WeakPolarHBondContact O-CB 3.38Å; T510-A514 PolarHBondContact O-N 3.41Å
511	V	98.6	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.9	-46.2	177.2	166.9	0	0	0	0	111.5	I132 M133 I432 W439 Y507 V508 A514 S515	I132-V511 HydrophobicContact CG2-CG1 4.05Å; M133-V511 HydrophobicContact CG-CG1 3.98Å; I432-V511 HydrophobicContact CD1-CB 4.46Å; I432-V511 HydrophobicContact CD1-CG2 3.83Å; W439-V511 HydrophobicContact CB-CG2 3.77Å; W439-V511 HydrophobicContact CG-CG1 4.15Å; W439-V511 HydrophobicContact CG-CG2 3.96Å; Y507-V511 HydrophobicContact CD1-CG2 4.41Å; Y507-V511 HydrophobicContact CD2-CG2 4.11Å; Y507-V511 HydrophobicContact CE1-CG2 4.11Å; Y507-V511 HydrophobicContact CE2-CG2 3.69Å; Y507-V511 HydrophobicContact CG-CG2 4.46Å; Y507-V511 WeakPolarHBondContact O-CG2 3.38Å; Y507-V511 PolarHBondContact O-N 2.88Å; V508-V511 PolarHBondContact O-N 2.68Å; V508-V511 VanDerWaalsContact O-N 3.13Å; V511-A514 PolarHBondContact O-N 3.48Å; V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.19Å; V511-S515 PolarHBondContact O-N 2.92Å; V511-S515 PolarHBondContact O-OG 2.71Å
512	L	98.8	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.3	-47.2	178.2	-60.8	178.8	0	0	0	110.6	L129 I132 F318 L327 I329 V508 S515 A516	L129-L512 HydrophobicContact CD1-CD2 4.37Å; I132-L512 HydrophobicContact CD1-CD2 4.11Å; I132-L512 HydrophobicContact CG2-CD2 4.21Å; F318-L512 HydrophobicContact CE1-CB 3.91Å; F318-L512 HydrophobicContact CE1-CD1 4.42Å; F318-L512 HydrophobicContact CE1-CD2 3.91Å; F318-L512 HydrophobicContact CE1-CG 4.27Å; F318-L512 HydrophobicContact CZ-CB 3.95Å; F318-L512 HydrophobicContact CZ-CD2 3.58Å; F318-L512 HydrophobicContact CZ-CG 4.27Å; L327-L512 HydrophobicContact CD1-CD2 4.35Å; I329-L512 HydrophobicContact CD1-CB 4.31Å; I329-L512 HydrophobicContact CG1-CB 3.65Å; V508-L512 HydrophobicContact CG1-CD1 3.98Å; V508-L512 HydrophobicContact CG1-CG 4.14Å; V508-L512 VanDerWaalsContact O-CG 3.28Å; V508-L512 WeakPolarHBondContact O-CG 3.18Å; V508-L512 PolarHBondContact O-N 3.27Å; L512-S515 PolarHBondContact O-N 3.08Å; L512-A516 WeakPolarHBondContact O-CB 3.29Å; L512-A516 PolarHBondContact O-N 2.93Å
513	A	98.7	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.2	-41.8	179	0	0	0	0	0	112.9	I161 M164 Y315 I329 Q509 A516 I517	I161-A513 HydrophobicContact CD1-CB 4.35Å; I161-A513 HydrophobicContact CG1-CB 4.31Å; M164-A513 HydrophobicContact CE-CB 4.21Å; M164-A513 HydrophobicContact CG-CB 3.93Å; M164-A513 HydrophobicContact SD-CB 3.72Å; Y315-A513 HydrophobicContact CD1-CB 4.45Å; Y315-A513 HydrophobicContact CE1-CB 3.82Å; I329-A513 HydrophobicContact CG2-CB 4.23Å; Q509-A513 WeakPolarHBondContact O-CB 3.48Å; Q509-A513 PolarHBondContact O-N 3.07Å; A513-A516 PolarHBondContact O-N 3.39Å; A513-I517 WeakPolarHBondContact O-CG1 3.45Å; A513-I517 PolarHBondContact O-N 2.94Å; A513-I517 VanDerWaalsContact O-N 3.13Å
514	A	98.5	Very high	98	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-39.7	176.5	0	0	0	0	0	111.7	Y140 A143 M164 I432 W439 T510 V511 I517 D518	Y140-A514 HydrophobicContact CD1-CB 4.36Å; Y140-A514 HydrophobicContact CE1-CB 4.25Å; A143-A514 HydrophobicContact CB-CB 3.9Å; M164-A514 HydrophobicContact CE-CB 3.83Å; I432-A514 HydrophobicContact CD1-CB 3.94Å; W439-A514 HydrophobicContact CH2-CB 3.48Å; W439-A514 VanDerWaalsContact CH2-CB 3.48Å; W439-A514 HydrophobicContact CZ2-CB 3.75Å; W439-A514 HydrophobicContact CZ3-CB 4.07Å; T510-A514 VanDerWaalsContact O-CB 3.24Å; T510-A514 WeakPolarHBondContact O-CB 3.38Å; T510-A514 PolarHBondContact O-N 3.41Å; V511-A514 PolarHBondContact O-N 3.48Å; A514-I517 PolarHBondContact O-N 2.94Å; A514-D518 PolarHBondContact O-N 3.14Å
515	S	98.3	Very high	97.8	Very high	11 Å²	11	13.6 Å²	13.6	8%	0.077	6%	0.061	C	C	.	.	H	α-helix	trans	-65.4	-40.6	176	-59.5	0	0	0	0	112.1	I132 W439 V511 L512 I517 D518 Q519	I132-S515 WeakPolarHBondContact CG2-OG 3.2Å; W439-S515 PolarHBondContact NE1-OG 3.27Å; V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.19Å; V511-S515 PolarHBondContact O-N 2.92Å; V511-S515 PolarHBondContact O-OG 2.71Å; L512-S515 PolarHBondContact O-N 3.08Å; S515-I517 VanDerWaalsContact C-N 3.35Å; S515-I517 PolarHBondContact O-N 3.39Å; S515-D518 PolarHBondContact O-N 2.91Å; S515-Q519 VanDerWaalsContact O-CG 3.27Å; S515-Q519 WeakPolarHBondContact O-CG 3.45Å; S515-Q519 PolarHBondContact O-N 3.29Å
516	A	98.5	Very high	97.2	Very high	3 Å²	3	16.7 Å²	16.7	3%	0.025	8%	0.083	C	C	.	.	H	α-helix	trans	-60	-43.8	173.9	0	0	0	0	0	112.2	A314 Y315 F318 I329 L512 A513 Q520	A314-A516 HydrophobicContact CB-CB 4.47Å; Y315-A516 HydrophobicContact CD1-CB 4.12Å; F318-A516 HydrophobicContact CB-CB 3.66Å; F318-A516 HydrophobicContact CD2-CB 3.73Å; F318-A516 HydrophobicContact CG-CB 3.86Å; I329-A516 HydrophobicContact CD1-CB 3.8Å; L512-A516 WeakPolarHBondContact O-CB 3.29Å; L512-A516 PolarHBondContact O-N 2.93Å; A513-A516 PolarHBondContact O-N 3.39Å; A516-Q520 PolarHBondContact O-N 3.29Å
517	I	98.4	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67	-41.9	176.8	-68.6	165.7	0	0	0	110.8	Y140 M164 A303 Y315 A513 A514 S515 Q519 Q520 C521	Y140-I517 HydrophobicContact CD1-CB 3.74Å; Y140-I517 HydrophobicContact CD1-CD1 4.49Å; Y140-I517 HydrophobicContact CD1-CG2 3.43Å; Y140-I517 VanDerWaalsContact CD1-CG2 3.43Å; Y140-I517 HydrophobicContact CE1-CB 3.96Å; Y140-I517 HydrophobicContact CE1-CD1 3.83Å; Y140-I517 HydrophobicContact CE1-CG2 3.77Å; Y140-I517 HydrophobicContact CG-CG2 4.24Å; M164-I517 HydrophobicContact CB-CD1 3.56Å; M164-I517 HydrophobicContact CG-CD1 3.74Å; A303-I517 HydrophobicContact CB-CG2 4.37Å; Y315-I517 HydrophobicContact CE1-CD1 4.1Å; Y315-I517 HydrophobicContact CE1-CG1 4.13Å; A513-I517 WeakPolarHBondContact O-CG1 3.45Å; A513-I517 PolarHBondContact O-N 2.94Å; A513-I517 VanDerWaalsContact O-N 3.13Å; A514-I517 PolarHBondContact O-N 2.94Å; S515-I517 VanDerWaalsContact C-N 3.35Å; S515-I517 PolarHBondContact O-N 3.39Å; I517-Q519 PolarHBondContact O-N 3.36Å; I517-Q520 CarbonylContact O-C 3.56Å; I517-Q520 WeakPolarHBondContact O-CA 3.38Å; I517-Q520 WeakPolarHBondContact O-CB 3.18Å; I517-Q520 PolarHBondContact O-N 2.93Å; I517-Q520 VanDerWaalsContact O-N 3.13Å; I517-C521 PolarHBondContact O-N 2.83Å; I517-C521 PolarHBondContact O-SG 3.41Å
518	D	97.6	Very high	96	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-65.2	-39.9	178.3	-167.1	64.6	0	0	0	112.2	S137 K138 W139 Y140 A514 S515 Q520 C521 Q522	S137-D518 PolarHBondContact OG-OD1 2.94Å; K138-D518 PolarHBondContact N-OD1 3.08Å; K138-D518 PolarHBondContact N-OD2 3.27Å; W139-D518 WeakPolarHBondContact CA-OD1 3.44Å; W139-D518 WeakPolarHBondContact CB-OD1 3.23Å; W139-D518 PolarHBondContact N-OD1 2.94Å; Y140-D518 PolarHBondContact N-OD1 2.8Å; A514-D518 PolarHBondContact O-N 3.14Å; S515-D518 PolarHBondContact O-N 2.91Å; D518-Q520 VanDerWaalsContact C-N 3.27Å; D518-Q520 PolarHBondContact O-N 3.47Å; D518-C521 VanDerWaalsContact O-CB 3.27Å; D518-C521 WeakPolarHBondContact O-CB 3.02Å; D518-C521 PolarHBondContact O-N 3.25Å; D518-C521 VanDerWaalsContact O-N 3.12Å; D518-Q522 WeakPolarHBondContact O-CG 3.33Å; D518-Q522 PolarHBondContact O-N 2.8Å; D518-Q522 PolarHBondContact OD2-NE2 3.5Å
519	Q	97.3	Very high	95.2	Very high	62 Å²	62	25.9 Å²	25.9	29%	0.29	13%	0.125	S	C	.	.	H	α-helix	trans	-59	-40.5	171.2	-70.9	173.3	29.4	0	0	111.4	S515 I517 Q522 R523	S515-Q519 VanDerWaalsContact O-CG 3.27Å; S515-Q519 WeakPolarHBondContact O-CG 3.45Å; S515-Q519 PolarHBondContact O-N 3.29Å; I517-Q519 PolarHBondContact O-N 3.36Å; Q519-Q522 PolarHBondContact O-N 3.25Å; Q519-R523 WeakPolarHBondContact O-CG 3.4Å; Q519-R523 PolarHBondContact O-N 3.21Å
520	Q	97.9	Very high	94.7	Very high	3 Å²	3	30.1 Å²	30.1	1%	0.014	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-37.7	174.8	-171.6	59.7	72.9	0	0	112.3	A303 V310 A314 A516 I517 D518 R523 L524	A303-Q520 HydrophobicContact CB-CB 4.21Å; A303-Q520 HydrophobicContact CB-CG 4.05Å; V310-Q520 HydrophobicContact CG1-CG 3.98Å; A314-Q520 HydrophobicContact CB-CB 4.07Å; A314-Q520 HydrophobicContact CB-CG 4.34Å; A516-Q520 PolarHBondContact O-N 3.29Å; I517-Q520 CarbonylContact O-C 3.56Å; I517-Q520 WeakPolarHBondContact O-CA 3.38Å; I517-Q520 WeakPolarHBondContact O-CB 3.18Å; I517-Q520 PolarHBondContact O-N 2.93Å; I517-Q520 VanDerWaalsContact O-N 3.13Å; D518-Q520 VanDerWaalsContact C-N 3.27Å; D518-Q520 PolarHBondContact O-N 3.47Å; Q520-R523 PolarHBondContact O-N 3.16Å; Q520-L524 HydrophobicContact CG-CD1 4.26Å; Q520-L524 WeakPolarHBondContact O-CB 3.37Å; Q520-L524 WeakPolarHBondContact O-CG 3.47Å; Q520-L524 PolarHBondContact O-N 2.66Å; Q520-L524 VanDerWaalsContact O-N 3.11Å
521	C	97.6	Very high	94.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-47.7	170.7	-63.7	0	0	0	0	110.8	W139 I299 A303 I517 D518 R523 L524 M525	W139-C521 HydrophobicContact CB-CB 3.7Å; W139-C521 VanDerWaalsContact CD1-CB 3.41Å; W139-C521 HydrophobicContact CG-CB 3.8Å; I299-C521 HydrophobicContact CG1-CB 4.05Å; A303-C521 HydrophobicContact CB-CB 4.25Å; A303-C521 WeakPolarHBondContact CB-SG 2.91Å; I517-C521 PolarHBondContact O-N 2.83Å; I517-C521 PolarHBondContact O-SG 3.41Å; D518-C521 VanDerWaalsContact O-CB 3.27Å; D518-C521 WeakPolarHBondContact O-CB 3.02Å; D518-C521 PolarHBondContact O-N 3.25Å; D518-C521 VanDerWaalsContact O-N 3.12Å; C521-R523 VanDerWaalsContact C-N 3.31Å; C521-R523 PolarHBondContact O-N 3.38Å; C521-L524 PolarHBondContact O-N 2.79Å; C521-M525 PolarHBondContact O-N 3.13Å
522	Q	96.6	Very high	94.2	Very high	88 Å²	88	33.7 Å²	33.7	41%	0.411	16%	0.163	S	C	.	.	H	α-helix	trans	-64.2	-33.8	-178.7	-67.3	179.8	54	0	0	112.7	K138 D518 Q519 M525	K138-Q522 HydrophobicContact CB-CG 4.28Å; K138-Q522 HydrophobicContact CD-CG 4.19Å; D518-Q522 WeakPolarHBondContact O-CG 3.33Å; D518-Q522 PolarHBondContact O-N 2.8Å; D518-Q522 PolarHBondContact OD2-NE2 3.5Å; Q519-Q522 PolarHBondContact O-N 3.25Å; Q522-M525 CarbonylContact O-C 3.57Å
523	R	96.2	Very high	93.9	Very high	105 Å²	105	35 Å²	35	40%	0.396	17%	0.17	S	C	.	.	H	α-helix	trans	-68	-39	173.2	-71.8	171.8	62.6	-160.1	0.1	112.7	Q519 Q520 C521 L535	Q519-R523 WeakPolarHBondContact O-CG 3.4Å; Q519-R523 PolarHBondContact O-N 3.21Å; Q520-R523 PolarHBondContact O-N 3.16Å; C521-R523 VanDerWaalsContact C-N 3.31Å; C521-R523 PolarHBondContact O-N 3.38Å; R523-L535 HydrophobicContact CB-CD2 4.09Å; R523-L535 WeakPolarHBondContact O-CD2 3.45Å
524	L	96.4	Very high	93.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-80	-25.8	-179.5	-76.1	171	0	0	0	112.8	I299 A303 Q520 C521 F531 N532 L535 F536 L539	I299-L524 HydrophobicContact CD1-CB 3.68Å; I299-L524 HydrophobicContact CD1-CD1 4.01Å; I299-L524 HydrophobicContact CD1-CG 4.49Å; A303-L524 HydrophobicContact CB-CD1 4.04Å; Q520-L524 HydrophobicContact CG-CD1 4.26Å; Q520-L524 WeakPolarHBondContact O-CB 3.37Å; Q520-L524 WeakPolarHBondContact O-CG 3.47Å; Q520-L524 PolarHBondContact O-N 2.66Å; Q520-L524 VanDerWaalsContact O-N 3.11Å; C521-L524 PolarHBondContact O-N 2.79Å; L524-F531 HydrophobicContact CB-CE2 4.12Å; L524-F531 HydrophobicContact CD2-CE2 4.35Å; L524-F531 WeakPolarHBondContact O-CD2 3.45Å; L524-N532 PolarHBondContact O-N 3.22Å; L524-L535 HydrophobicContact CD2-CB 4.27Å; L524-L535 HydrophobicContact CD2-CD2 4.13Å; L524-L535 HydrophobicContact CD2-CG 3.97Å; L524-F536 HydrophobicContact CD1-CD2 4.47Å; L524-F536 HydrophobicContact CD2-CB 3.78Å; L524-F536 HydrophobicContact CD2-CD2 4.42Å; L524-L539 HydrophobicContact CD1-CD1 4.31Å; L524-L539 HydrophobicContact CD2-CD1 3.99Å; L524-L539 HydrophobicContact CG-CD1 4.28Å
525	M	93.4	Very high	93.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	104.6	-172.5	-164.6	167.4	95.7	0	0	110.2	W139 I299 C521 Q522 D527 H530	W139-M525 HydrophobicContact CD2-CE 3.71Å; W139-M525 HydrophobicContact CE3-CE 3.41Å; W139-M525 VanDerWaalsContact CE3-CE 3.41Å; W139-M525 HydrophobicContact CH2-CE 3.21Å; W139-M525 HydrophobicContact CZ2-CE 3.48Å; W139-M525 VanDerWaalsContact CZ2-CE 3.48Å; W139-M525 HydrophobicContact CZ2-CG 4.24Å; W139-M525 HydrophobicContact CZ3-CE 3.16Å; W139-M525 PolarHBondContact NE1-O 2.86Å; I299-M525 HydrophobicContact CB-CE 4.14Å; I299-M525 HydrophobicContact CB-SD 3.94Å; I299-M525 HydrophobicContact CD1-CB 4.29Å; I299-M525 HydrophobicContact CG1-CB 3.98Å; I299-M525 HydrophobicContact CG1-SD 4.2Å; I299-M525 HydrophobicContact CG2-CE 3.53Å; I299-M525 HydrophobicContact CG2-SD 4.02Å; C521-M525 PolarHBondContact O-N 3.13Å; Q522-M525 CarbonylContact O-C 3.57Å; M525-D527 WeakPolarHBondContact CG-O 3.47Å; M525-H530 WeakPolarHBondContact CA-O 3.44Å; M525-H530 WeakPolarHBondContact CG-O 3.41Å
526	S	86.4	Confident	93.4	Very high	69 Å²	69	39 Å²	39	48%	0.483	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-39.2	-179.8	51.1	0	0	0	0	111.8	K138	K138-S526 PolarHBondContact NZ-O 3.29Å
527	D	86	Confident	93.2	Very high	56 Å²	56	42 Å²	42	30%	0.299	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	178.8	-177.1	60.2	67.7	0	0	0	109.9	M525 Q529 H530	M525-D527 WeakPolarHBondContact CG-O 3.47Å; D527-Q529 PolarHBondContact O-N 3.36Å; D527-Q529 VanDerWaalsContact O-N 3.14Å; D527-Q529 WeakPolarHBondContact OD1-CA 3.49Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.39Å; D527-Q529 PolarHBondContact OD1-N 3.09Å; D527-H530 VanDerWaalsContact CG-ND1 3.26Å; D527-H530 IonicContact OD1-CE1 3.91Å; D527-H530 IonicContact OD1-CG 3.71Å; D527-H530 PolarHBondContact OD1-N 3.17Å; D527-H530 IonicContact OD1-ND1 2.93Å; D527-H530 PolarHBondContact OD1-ND1 3.39Å; D527-H530 IonicContact OD2-CE1 3.83Å; D527-H530 IonicContact OD2-CG 3.75Å; D527-H530 IonicContact OD2-ND1 2.87Å; D527-H530 PolarHBondContact OD2-ND1 2.98Å
528	R	83.8	Confident	93.1	Very high	71 Å²	71	49.1 Å²	49.1	27%	0.268	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.8	-174.8	-71.1	-173	179	155.9	9.3	114.8	W139 D199 L289	W139-R528 HydrophobicContact CH2-CB 4.48Å; W139-R528 HydrophobicContact CH2-CG 3.67Å; W139-R528 HydrophobicContact CZ3-CG 3.74Å; D199-R528 IonicContact OD2-CZ 2.88Å; D199-R528 IonicContact OD2-NH1 2.69Å; D199-R528 PolarHBondContact OD2-NH1 2.8Å; D199-R528 IonicContact OD2-NH2 2.73Å; D199-R528 PolarHBondContact OD2-NH2 3.3Å; L289-R528 WeakPolarHBondContact CD2-O 3.3Å
529	Q	83.2	Confident	93	Very high	66 Å²	66	49.7 Å²	49.7	31%	0.308	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-15.8	-174.5	-59.2	-55.9	-47.6	0	0	112.6	L289 D527 R555 Q559	L289-Q529 WeakPolarHBondContact CD1-O 3.15Å; D527-Q529 PolarHBondContact O-N 3.36Å; D527-Q529 VanDerWaalsContact O-N 3.14Å; D527-Q529 WeakPolarHBondContact OD1-CA 3.49Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.39Å; D527-Q529 PolarHBondContact OD1-N 3.09Å; Q529-R555 VanDerWaalsContact OE1-NH2 3.14Å; Q529-Q559 PolarHBondContact O-NE2 2.67Å; Q529-Q559 PolarHBondContact O-OE1 2.73Å
530	H	88	Confident	92.9	Very high	90 Å²	90	46.8 Å²	46.8	42%	0.417	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.2	-175.2	-59.6	98	0	0	0	113.7	M525 D527	M525-H530 WeakPolarHBondContact CA-O 3.44Å; M525-H530 WeakPolarHBondContact CG-O 3.41Å; D527-H530 VanDerWaalsContact CG-ND1 3.26Å; D527-H530 IonicContact OD1-CE1 3.91Å; D527-H530 IonicContact OD1-CG 3.71Å; D527-H530 PolarHBondContact OD1-N 3.17Å; D527-H530 IonicContact OD1-ND1 2.93Å; D527-H530 PolarHBondContact OD1-ND1 3.39Å; D527-H530 IonicContact OD2-CE1 3.83Å; D527-H530 IonicContact OD2-CG 3.75Å; D527-H530 IonicContact OD2-ND1 2.87Å; D527-H530 PolarHBondContact OD2-ND1 2.98Å
531	F	93.3	Very high	92.8	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.035	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.1	173.9	179.7	-115.2	0	0	0	112.4	L288 L289 I299 L302 L524 L533 F536 I556	L288-F531 HydrophobicContact CD2-CB 3.86Å; L288-F531 HydrophobicContact CD2-CD1 3.58Å; L288-F531 HydrophobicContact CD2-CD2 3.42Å; L288-F531 VanDerWaalsContact CD2-CD2 3.42Å; L288-F531 HydrophobicContact CD2-CE1 3.84Å; L288-F531 HydrophobicContact CD2-CE2 3.7Å; L288-F531 HydrophobicContact CD2-CG 3.33Å; L288-F531 HydrophobicContact CD2-CZ 3.87Å; L288-F531 HydrophobicContact CG-CD2 4.43Å; L289-F531 HydrophobicContact CD2-CB 4.35Å; I299-F531 HydrophobicContact CD1-CD2 4.17Å; I299-F531 HydrophobicContact CD1-CE2 3.75Å; L302-F531 HydrophobicContact CD1-CZ 4.42Å; L524-F531 HydrophobicContact CB-CE2 4.12Å; L524-F531 HydrophobicContact CD2-CE2 4.35Å; L524-F531 WeakPolarHBondContact O-CD2 3.45Å; F531-L533 HydrophobicContact CD1-CB 4.14Å; F531-L533 HydrophobicContact CE1-CB 4.16Å; F531-L533 HydrophobicContact CE1-CD1 4.01Å; F531-L533 PolarHBondContact O-N 3.05Å; F531-F536 HydrophobicContact CE1-CB 3.98Å; F531-F536 HydrophobicContact CE1-CD1 4.27Å; F531-F536 HydrophobicContact CE1-CG 4.21Å; F531-F536 HydrophobicContact CE2-CB 4.33Å; F531-F536 HydrophobicContact CZ-CB 3.48Å; F531-F536 VanDerWaalsContact CZ-CB 3.48Å; F531-F536 AromaticContact CZ-CD1 3.99Å; F531-F536 HydrophobicContact CZ-CD1 3.99Å; F531-F536 HydrophobicContact CZ-CD2 4.07Å; F531-F536 AromaticContact CZ-CG 3.58Å; F531-F536 HydrophobicContact CZ-CG 3.58Å; F531-I556 HydrophobicContact CB-CG2 4.46Å; F531-I556 HydrophobicContact CD1-CB 4.17Å; F531-I556 HydrophobicContact CD1-CG2 4.1Å
532	N	93.9	Very high	92.7	Very high	67 Å²	67	50.4 Å²	50.4	36%	0.358	25%	0.25	S	S	.	.			trans	-88.8	79.4	178	-167.6	-20.9	0	0	0	110.8	L524 P534 L535 F536	L524-N532 PolarHBondContact O-N 3.22Å; N532-P534 WeakPolarHBondContact OD1-CD 3.39Å; N532-L535 HydrophobicContact CB-CB 4.06Å; N532-L535 PolarHBondContact O-N 2.74Å; N532-L535 WeakPolarHBondContact OD1-CB 3.27Å; N532-L535 PolarHBondContact OD1-N 2.59Å; N532-F536 PolarHBondContact O-N 3.25Å
533	L	92.6	Very high	92.5	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.147	26%	0.256	C	S	.	.	H	α-helix	trans	-57.7	-44.3	178.1	-179.5	64.2	0	0	0	113.1	F531 L535 F536 M537 N560	F531-L533 HydrophobicContact CD1-CB 4.14Å; F531-L533 HydrophobicContact CE1-CB 4.16Å; F531-L533 HydrophobicContact CE1-CD1 4.01Å; F531-L533 PolarHBondContact O-N 3.05Å; L533-L535 VanDerWaalsContact C-N 3.34Å; L533-L535 PolarHBondContact O-N 3.24Å; L533-F536 HydrophobicContact CD1-CD1 4.23Å; L533-F536 WeakPolarHBondContact O-CB 3.28Å; L533-F536 PolarHBondContact O-N 2.98Å; L533-F536 VanDerWaalsContact O-N 3.12Å; L533-M537 HydrophobicContact CD1-CG 4.1Å; L533-M537 HydrophobicContact CD1-SD 4.25Å; L533-M537 HydrophobicContact CG-CG 4.36Å; L533-M537 HydrophobicContact CG-SD 4.06Å; L533-M537 WeakPolarHBondContact O-CG 3.42Å; L533-M537 PolarHBondContact O-N 3.13Å; L533-N560 WeakPolarHBondContact CB-ND2 3.43Å; L533-N560 WeakPolarHBondContact CD2-ND2 3.48Å
534	P	93.3	Very high	92.4	Very high	69 Å²	69	49.1 Å²	49.1	45%	0.448	25%	0.251	S	S	.	.	H	α-helix	trans	-57.4	-43.9	176.3	-27.2	35.8	0	0	0	113.3	N532 M537 Q538	N532-P534 WeakPolarHBondContact OD1-CD 3.39Å; P534-M537 PolarHBondContact O-N 3.39Å; P534-Q538 WeakPolarHBondContact O-CG 3.32Å; P534-Q538 PolarHBondContact O-N 3.49Å; P534-Q538 VanDerWaalsContact O-N 3.14Å
535	L	95.3	Very high	92.4	Very high	26 Å²	26	49.1 Å²	49.1	14%	0.136	25%	0.25	C	S	.	.	H	α-helix	trans	-65.7	-39.2	175.7	177.9	61.8	0	0	0	111.7	R523 L524 N532 L533 M537 Q538 L539	R523-L535 HydrophobicContact CB-CD2 4.09Å; R523-L535 WeakPolarHBondContact O-CD2 3.45Å; L524-L535 HydrophobicContact CD2-CB 4.27Å; L524-L535 HydrophobicContact CD2-CD2 4.13Å; L524-L535 HydrophobicContact CD2-CG 3.97Å; N532-L535 HydrophobicContact CB-CB 4.06Å; N532-L535 PolarHBondContact O-N 2.74Å; N532-L535 WeakPolarHBondContact OD1-CB 3.27Å; N532-L535 PolarHBondContact OD1-N 2.59Å; L533-L535 VanDerWaalsContact C-N 3.34Å; L533-L535 PolarHBondContact O-N 3.24Å; L535-M537 VanDerWaalsContact C-N 3.35Å; L535-Q538 WeakPolarHBondContact O-CB 3.2Å; L535-Q538 PolarHBondContact O-N 3.03Å; L535-L539 HydrophobicContact CD1-CD1 4.41Å; L535-L539 HydrophobicContact CG-CD1 4.21Å; L535-L539 WeakPolarHBondContact O-CG 3.24Å; L535-L539 PolarHBondContact O-N 3.13Å
536	F	95.5	Very high	92.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-46.1	175.3	179.1	-114.8	0	0	0	111.6	L302 L524 F531 N532 L533 Q538 L539 D540 F545 V546	L302-F536 HydrophobicContact CB-CE2 3.91Å; L302-F536 HydrophobicContact CB-CZ 4.45Å; L302-F536 HydrophobicContact CD1-CE2 4.43Å; L302-F536 HydrophobicContact CD1-CZ 4.38Å; L302-F536 HydrophobicContact CD2-CZ 4.32Å; L524-F536 HydrophobicContact CD1-CD2 4.47Å; L524-F536 HydrophobicContact CD2-CB 3.78Å; L524-F536 HydrophobicContact CD2-CD2 4.42Å; F531-F536 HydrophobicContact CE1-CB 3.98Å; F531-F536 HydrophobicContact CE1-CD1 4.27Å; F531-F536 HydrophobicContact CE1-CG 4.21Å; F531-F536 HydrophobicContact CE2-CB 4.33Å; F531-F536 HydrophobicContact CZ-CB 3.48Å; F531-F536 VanDerWaalsContact CZ-CB 3.48Å; F531-F536 AromaticContact CZ-CD1 3.99Å; F531-F536 HydrophobicContact CZ-CD1 3.99Å; F531-F536 HydrophobicContact CZ-CD2 4.07Å; F531-F536 AromaticContact CZ-CG 3.58Å; F531-F536 HydrophobicContact CZ-CG 3.58Å; N532-F536 PolarHBondContact O-N 3.25Å; L533-F536 HydrophobicContact CD1-CD1 4.23Å; L533-F536 WeakPolarHBondContact O-CB 3.28Å; L533-F536 PolarHBondContact O-N 2.98Å; L533-F536 VanDerWaalsContact O-N 3.12Å; F536-Q538 PolarHBondContact O-N 3.16Å; F536-L539 CarbonylContact O-C 3.49Å; F536-L539 WeakPolarHBondContact O-CA 3.49Å; F536-L539 WeakPolarHBondContact O-CB 3.38Å; F536-L539 PolarHBondContact O-N 2.93Å; F536-D540 HydrophobicContact CE2-CB 4.46Å; F536-D540 PolarHBondContact O-N 3.2Å; F536-F545 HydrophobicContact CE2-CE1 4.4Å; F536-F545 HydrophobicContact CZ-CD1 4.32Å; F536-F545 AromaticContact CZ-CE1 3.64Å; F536-F545 HydrophobicContact CZ-CE1 3.64Å; F536-F545 HydrophobicContact CZ-CZ 4.39Å; F536-V546 HydrophobicContact CE1-CG2 4.33Å
537	M	94.5	Very high	92.7	Very high	64 Å²	64	50.1 Å²	50.1	32%	0.315	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-25.9	178.3	-67.9	178.5	70	0	0	113.3	L533 P534 L535 L539 D540 V589	L533-M537 HydrophobicContact CD1-CG 4.1Å; L533-M537 HydrophobicContact CD1-SD 4.25Å; L533-M537 HydrophobicContact CG-CG 4.36Å; L533-M537 HydrophobicContact CG-SD 4.06Å; L533-M537 WeakPolarHBondContact O-CG 3.42Å; L533-M537 PolarHBondContact O-N 3.13Å; P534-M537 PolarHBondContact O-N 3.39Å; L535-M537 VanDerWaalsContact C-N 3.35Å; M537-L539 VanDerWaalsContact C-N 3.34Å; M537-D540 WeakPolarHBondContact CA-O 3.43Å; M537-V589 HydrophobicContact CE-CG1 3.61Å
538	Q	95.6	Very high	93.1	Very high	151 Å²	151	48.4 Å²	48.4	71%	0.706	25%	0.247	S	C	*	.	H	α-helix	trans	-72.3	-29.1	170.1	-69.8	172.2	7.2	0	0	112.5	P534 L535 F536	P534-Q538 WeakPolarHBondContact O-CG 3.32Å; P534-Q538 PolarHBondContact O-N 3.49Å; P534-Q538 VanDerWaalsContact O-N 3.14Å; L535-Q538 WeakPolarHBondContact O-CB 3.2Å; L535-Q538 PolarHBondContact O-N 3.03Å; F536-Q538 PolarHBondContact O-N 3.16Å
539	L	96.3	Very high	93.5	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.089	24%	0.235	C	C	.	.	H	α-helix	trans	-87.2	-30.5	179.5	-67.4	167.7	0	0	0	112.4	L309 V310 K313 L524 L535 F536 M537	L309-L539 WeakPolarHBondContact CD2-O 3.41Å; V310-L539 HydrophobicContact CG2-CB 4.24Å; K313-L539 HydrophobicContact CD-CD2 4.2Å; K313-L539 PolarHBondContact NZ-O 2.98Å; L524-L539 HydrophobicContact CD1-CD1 4.31Å; L524-L539 HydrophobicContact CD2-CD1 3.99Å; L524-L539 HydrophobicContact CG-CD1 4.28Å; L535-L539 HydrophobicContact CD1-CD1 4.41Å; L535-L539 HydrophobicContact CG-CD1 4.21Å; L535-L539 WeakPolarHBondContact O-CG 3.24Å; L535-L539 PolarHBondContact O-N 3.13Å; F536-L539 CarbonylContact O-C 3.49Å; F536-L539 WeakPolarHBondContact O-CA 3.49Å; F536-L539 WeakPolarHBondContact O-CB 3.38Å; F536-L539 PolarHBondContact O-N 2.93Å; M537-L539 VanDerWaalsContact C-N 3.34Å
540	D	96.1	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.			trans	-151.9	111.2	177.9	-163.9	-24.2	0	0	0	110.4	N307 L309 V310 Y360 F536 M537 D542	N307-D540 PolarHBondContact ND2-OD2 2.84Å; L309-D540 HydrophobicContact CD2-CB 4.44Å; V310-D540 HydrophobicContact CG2-CB 3.94Å; Y360-D540 WeakPolarHBondContact CE1-OD2 2.97Å; Y360-D540 PolarHBondContact OH-OD1 3.46Å; Y360-D540 PolarHBondContact OH-OD2 3.11Å; F536-D540 HydrophobicContact CE2-CB 4.46Å; F536-D540 PolarHBondContact O-N 3.2Å; M537-D540 WeakPolarHBondContact CA-O 3.43Å; D540-D542 WeakPolarHBondContact OD1-CB 3.34Å; D540-D542 PolarHBondContact OD1-N 3.43Å; D540-D542 VanDerWaalsContact OD1-N 3.15Å
541	D	94.6	Very high	94.1	Very high	78 Å²	78	44.5 Å²	44.5	42%	0.417	24%	0.238	S	C	.	.			trans	-107.5	13.5	-176.3	67.5	-28.8	0	0	0	112.7	K388 K543	K388-D541 VanDerWaalsContact CE-OD1 3.27Å; K388-D541 WeakPolarHBondContact CE-OD1 3.46Å; K388-D541 IonicContact NZ-OD1 2.71Å; K388-D541 PolarHBondContact NZ-OD1 3Å; K388-D541 IonicContact NZ-OD2 3.29Å; K388-D541 PolarHBondContact NZ-OD2 3.19Å; D541-K543 PolarHBondContact O-N 3.4Å
542	D	95.4	Very high	93.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.245	C	C	.	.			trans	-64.3	110.9	176.5	-173	-67.5	0	0	0	110.5	Y360 Y386 D387 K388 D540 T544 F545 V546	Y360-D542 HydrophobicContact CE2-CB 4.42Å; Y360-D542 WeakPolarHBondContact OH-CB 3.12Å; Y386-D542 WeakPolarHBondContact CB-OD2 3.4Å; D387-D542 PolarHBondContact N-OD2 3.11Å; K388-D542 HydrophobicContact CB-CB 4.1Å; K388-D542 HydrophobicContact CG-CB 3.76Å; K388-D542 PolarHBondContact N-OD2 3.25Å; D540-D542 WeakPolarHBondContact OD1-CB 3.34Å; D540-D542 PolarHBondContact OD1-N 3.43Å; D540-D542 VanDerWaalsContact OD1-N 3.15Å; D542-T544 VanDerWaalsContact C-N 3.3Å; D542-T544 PolarHBondContact O-N 3.25Å; D542-T544 PolarHBondContact OD1-N 2.57Å; D542-T544 VanDerWaalsContact OD1-N 3.15Å; D542-F545 HydrophobicContact CB-CB 4.05Å; D542-F545 PolarHBondContact O-N 3.11Å; D542-F545 PolarHBondContact OD1-N 3.22Å; D542-V546 WeakPolarHBondContact O-CB 3.1Å; D542-V546 VanDerWaalsContact O-CG2 3.3Å; D542-V546 WeakPolarHBondContact O-CG2 3.38Å; D542-V546 PolarHBondContact O-N 3.11Å
543	K	93.7	Very high	93.6	Very high	120 Å²	120	41.8 Å²	41.8	52%	0.522	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-40.5	-172	-64.3	-166	177.3	-150.3	0	112.7	D541 S547 V589	D541-K543 PolarHBondContact O-N 3.4Å; K543-S547 VanDerWaalsContact O-CB 3.32Å; K543-S547 WeakPolarHBondContact O-CB 3.32Å; K543-S547 PolarHBondContact O-N 3.15Å; K543-S547 PolarHBondContact O-OG 3.25Å; K543-V589 PolarHBondContact NZ-O 3Å
544	T	93.8	Very high	93.2	Very high	47 Å²	47	43.9 Å²	43.9	29%	0.288	24%	0.244	S	C	.	.	H	α-helix	trans	-66.7	-47.4	-179.6	-59	0	0	0	0	110	T385 Y386 D542 S547 E548	T385-T544 HydrophobicContact CG2-CG2 3.86Å; T385-T544 WeakPolarHBondContact O-CG2 3.44Å; T385-T544 PolarHBondContact O-OG1 2.75Å; Y386-T544 HydrophobicContact CD1-CG2 4.04Å; Y386-T544 HydrophobicContact CE1-CG2 4.03Å; D542-T544 VanDerWaalsContact C-N 3.3Å; D542-T544 PolarHBondContact O-N 3.25Å; D542-T544 PolarHBondContact OD1-N 2.57Å; D542-T544 VanDerWaalsContact OD1-N 3.15Å; T544-S547 WeakPolarHBondContact O-CB 3.29Å; T544-S547 PolarHBondContact O-N 2.94Å; T544-E548 WeakPolarHBondContact O-CG 3.38Å; T544-E548 PolarHBondContact O-N 3.5Å
545	F	94.9	Very high	92.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-44	178.5	177.1	-120.3	0	0	0	112.8	W283 L302 N307 Y360 Y386 F536 D542 S547 E548 V549	W283-F545 AromaticContact CD2-CE2 3.95Å; W283-F545 HydrophobicContact CD2-CE2 3.95Å; W283-F545 AromaticContact CE2-CE2 3.58Å; W283-F545 HydrophobicContact CE3-CE2 4.19Å; W283-F545 AromaticContact CH2-CE2 3.82Å; W283-F545 HydrophobicContact CH2-CE2 3.82Å; W283-F545 HydrophobicContact CZ2-CD2 4.05Å; W283-F545 AromaticContact CZ2-CE2 3.54Å; W283-F545 HydrophobicContact CZ2-CE2 3.54Å; W283-F545 HydrophobicContact CZ3-CE2 4.13Å; L302-F545 HydrophobicContact CD2-CE1 4.32Å; L302-F545 HydrophobicContact CD2-CE2 4.35Å; L302-F545 HydrophobicContact CD2-CZ 3.56Å; N307-F545 WeakPolarHBondContact ND2-CE1 3.24Å; Y360-F545 AromaticContact CD1-CD1 3.85Å; Y360-F545 HydrophobicContact CD1-CD1 3.85Å; Y360-F545 AromaticContact CD1-CD2 3.6Å; Y360-F545 HydrophobicContact CD1-CD2 3.6Å; Y360-F545 AromaticContact CD1-CE1 3.78Å; Y360-F545 HydrophobicContact CD1-CE1 3.78Å; Y360-F545 AromaticContact CD1-CE2 3.56Å; Y360-F545 HydrophobicContact CD1-CE2 3.56Å; Y360-F545 AromaticContact CD1-CG 3.74Å; Y360-F545 HydrophobicContact CD1-CG 3.74Å; Y360-F545 AromaticContact CD1-CZ 3.63Å; Y360-F545 HydrophobicContact CD1-CZ 3.63Å; Y360-F545 HydrophobicContact CD2-CB 4.12Å; Y360-F545 HydrophobicContact CD2-CD2 4.06Å; Y360-F545 HydrophobicContact CD2-CG 4.11Å; Y360-F545 HydrophobicContact CE1-CB 4.11Å; Y360-F545 AromaticContact CE1-CD1 3.27Å; Y360-F545 HydrophobicContact CE1-CD1 3.27Å; Y360-F545 AromaticContact CE1-CD2 3.86Å; Y360-F545 HydrophobicContact CE1-CD2 3.86Å; Y360-F545 AromaticContact CE1-CE1 3.45Å; Y360-F545 HydrophobicContact CE1-CE1 3.45Å; Y360-F545 VanDerWaalsContact CE1-CE1 3.45Å; Y360-F545 HydrophobicContact CE1-CE2 4.04Å; Y360-F545 AromaticContact CE1-CG 3.47Å; Y360-F545 HydrophobicContact CE1-CG 3.47Å; Y360-F545 VanDerWaalsContact CE1-CG 3.47Å; Y360-F545 AromaticContact CE1-CZ 3.84Å; Y360-F545 HydrophobicContact CE1-CZ 3.84Å; Y360-F545 HydrophobicContact CE2-CB 3.63Å; Y360-F545 HydrophobicContact CE2-CD1 4.37Å; Y360-F545 HydrophobicContact CE2-CD2 4.3Å; Y360-F545 AromaticContact CE2-CG 3.87Å; Y360-F545 HydrophobicContact CE2-CG 3.87Å; Y360-F545 AromaticContact CG-CD2 3.71Å; Y360-F545 HydrophobicContact CG-CD2 3.71Å; Y360-F545 AromaticContact CG-CE2 3.96Å; Y360-F545 HydrophobicContact CG-CE2 3.96Å; Y360-F545 HydrophobicContact CG-CG 4.06Å; Y360-F545 HydrophobicContact CG-CZ 4.48Å; Y360-F545 AromaticContact CZ-CD1 3.58Å; Y360-F545 AromaticContact CZ-CG 3.54Å; Y386-F545 HydrophobicContact CD1-CB 4.04Å; Y386-F545 HydrophobicContact CE1-CB 3.95Å; F536-F545 HydrophobicContact CE2-CE1 4.4Å; F536-F545 HydrophobicContact CZ-CD1 4.32Å; F536-F545 AromaticContact CZ-CE1 3.64Å; F536-F545 HydrophobicContact CZ-CE1 3.64Å; F536-F545 HydrophobicContact CZ-CZ 4.39Å; D542-F545 HydrophobicContact CB-CB 4.05Å; D542-F545 PolarHBondContact O-N 3.11Å; D542-F545 PolarHBondContact OD1-N 3.22Å; F545-S547 VanDerWaalsContact C-N 3.26Å; F545-S547 PolarHBondContact O-N 3.19Å; F545-E548 WeakPolarHBondContact O-CB 3.42Å; F545-E548 PolarHBondContact O-N 3.34Å; F545-E548 VanDerWaalsContact O-N 3.15Å; F545-V549 HydrophobicContact CD2-CG2 4.32Å; F545-V549 HydrophobicContact CE1-CG2 4.31Å; F545-V549 HydrophobicContact CE2-CG2 3.92Å; F545-V549 HydrophobicContact CZ-CG2 3.93Å; F545-V549 WeakPolarHBondContact O-CG2 3.41Å; F545-V549 PolarHBondContact O-N 2.86Å
546	V	93.9	Very high	92.2	Very high	18 Å²	18	41.9 Å²	41.9	11%	0.109	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-40.1	175.7	171.9	0	0	0	0	110.8	F536 D542 V549 A550	F536-V546 HydrophobicContact CE1-CG2 4.33Å; D542-V546 WeakPolarHBondContact O-CB 3.1Å; D542-V546 VanDerWaalsContact O-CG2 3.3Å; D542-V546 WeakPolarHBondContact O-CG2 3.38Å; D542-V546 PolarHBondContact O-N 3.11Å; V546-V549 PolarHBondContact O-N 3.25Å; V546-A550 WeakPolarHBondContact O-CB 3.31Å; V546-A550 PolarHBondContact O-N 3.45Å
547	S	93.2	Very high	91.2	Very high	76 Å²	76	43.6 Å²	43.6	53%	0.531	24%	0.237	S	C	.	.	H	α-helix	trans	-64.2	-40.8	175.8	-59.2	0	0	0	0	112.3	K543 T544 F545 A550 L551	K543-S547 VanDerWaalsContact O-CB 3.32Å; K543-S547 WeakPolarHBondContact O-CB 3.32Å; K543-S547 PolarHBondContact O-N 3.15Å; K543-S547 PolarHBondContact O-OG 3.25Å; T544-S547 WeakPolarHBondContact O-CB 3.29Å; T544-S547 PolarHBondContact O-N 2.94Å; F545-S547 VanDerWaalsContact C-N 3.26Å; F545-S547 PolarHBondContact O-N 3.19Å; S547-A550 PolarHBondContact O-N 3.21Å; S547-L551 WeakPolarHBondContact O-CB 3.43Å; S547-L551 PolarHBondContact O-N 2.9Å
548	E	93.7	Very high	90.3	Very high	19 Å²	19	45.5 Å²	45.5	9%	0.089	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-44	173.6	-70.7	-178.7	175.1	0	0	111.8	K281 W283 L284 Y386 T544 F545 L551 G552	K281-E548 WeakPolarHBondContact CE-OE1 3.25Å; K281-E548 IonicContact NZ-OE1 3.31Å; K281-E548 PolarHBondContact NZ-OE1 2.96Å; K281-E548 IonicContact NZ-OE2 3.07Å; W283-E548 PolarHBondContact NE1-OE2 3.37Å; W283-E548 VanDerWaalsContact NE1-OE2 3.09Å; L284-E548 HydrophobicContact CD2-CB 4.13Å; L284-E548 VanDerWaalsContact CD2-O 3.22Å; L284-E548 WeakPolarHBondContact CD2-O 3.41Å; Y386-E548 PolarHBondContact OH-OE1 3.47Å; Y386-E548 PolarHBondContact OH-OE2 3.25Å; T544-E548 WeakPolarHBondContact O-CG 3.38Å; T544-E548 PolarHBondContact O-N 3.5Å; F545-E548 WeakPolarHBondContact O-CB 3.42Å; F545-E548 PolarHBondContact O-N 3.34Å; F545-E548 VanDerWaalsContact O-N 3.15Å; E548-L551 PolarHBondContact O-N 2.94Å; E548-G552 PolarHBondContact O-N 3.44Å; E548-G552 VanDerWaalsContact O-N 3.11Å
549	V	93.4	Very high	89.1	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-45	178	175.4	0	0	0	0	110.6	W283 L302 F545 V546 L551 G552 C553 I556	W283-V549 HydrophobicContact CB-CG2 4.24Å; W283-V549 HydrophobicContact CG-CG2 4.07Å; L302-V549 HydrophobicContact CD1-CG1 4.05Å; L302-V549 HydrophobicContact CD2-CG2 3.82Å; F545-V549 HydrophobicContact CD2-CG2 4.32Å; F545-V549 HydrophobicContact CE1-CG2 4.31Å; F545-V549 HydrophobicContact CE2-CG2 3.92Å; F545-V549 HydrophobicContact CZ-CG2 3.93Å; F545-V549 WeakPolarHBondContact O-CG2 3.41Å; F545-V549 PolarHBondContact O-N 2.86Å; V546-V549 PolarHBondContact O-N 3.25Å; V549-L551 VanDerWaalsContact C-N 3.32Å; V549-L551 PolarHBondContact O-N 3.27Å; V549-G552 PolarHBondContact O-N 3.37Å; V549-C553 VanDerWaalsContact O-CB 3.22Å; V549-C553 WeakPolarHBondContact O-CB 3.41Å; V549-C553 PolarHBondContact O-N 2.95Å; V549-I556 HydrophobicContact CG1-CD1 3.95Å
550	A	91.6	Very high	87.4	Confident	17 Å²	17	40.7 Å²	40.7	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-39.8	177.1	0	0	0	0	0	112.2	V546 S547 C553 P554 L587	V546-A550 WeakPolarHBondContact O-CB 3.31Å; V546-A550 PolarHBondContact O-N 3.45Å; S547-A550 PolarHBondContact O-N 3.21Å; A550-C553 CarbonylContact O-C 3.55Å; A550-P554 WeakPolarHBondContact O-CA 3.25Å; A550-L587 HydrophobicContact CB-CD1 4.14Å
551	L	90.9	Very high	85.6	Confident	126 Å²	126	46.8 Å²	46.8	66%	0.66	26%	0.255	S	S	*	.	H	α-helix	trans	-62.5	-46.7	178	179.1	64.7	0	0	0	112.3	L284 S547 E548 V549	L284-L551 HydrophobicContact CD2-CD2 4.31Å; S547-L551 WeakPolarHBondContact O-CB 3.43Å; S547-L551 PolarHBondContact O-N 2.9Å; E548-L551 PolarHBondContact O-N 2.94Å; V549-L551 VanDerWaalsContact C-N 3.32Å; V549-L551 PolarHBondContact O-N 3.27Å
552	G	88.6	Confident	83.6	Confident	16 Å²	16	50.8 Å²	50.8	17%	0.165	27%	0.272	C	S	.	.	H	α-helix	trans	-84.9	-17.2	-177.3	0	0	0	0	0	114.8	W283 E548 V549 P554	W283-G552 CarbonylContact O-C 3.56Å; W283-G552 VanDerWaalsContact O-CA 3.24Å; W283-G552 WeakPolarHBondContact O-CA 3.5Å; E548-G552 PolarHBondContact O-N 3.44Å; E548-G552 VanDerWaalsContact O-N 3.11Å; V549-G552 PolarHBondContact O-N 3.37Å; G552-P554 VanDerWaalsContact C-CD 3.4Å; G552-P554 WeakPolarHBondContact O-CD 3.43Å
553	C	89.5	Confident	81.6	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.014	30%	0.304	C	S	.	.			trans	-125.6	56.8	-178.6	-59	0	0	0	0	111.8	W283 L288 V549 A550 R555 I556	W283-C553 PolarHBondContact O-SG 3.33Å; L288-C553 HydrophobicContact CB-CB 3.93Å; L288-C553 PolarHBondContact N-SG 3.33Å; V549-C553 VanDerWaalsContact O-CB 3.22Å; V549-C553 WeakPolarHBondContact O-CB 3.41Å; V549-C553 PolarHBondContact O-N 2.95Å; A550-C553 CarbonylContact O-C 3.55Å; C553-R555 PolarHBondContact O-N 3.38Å; C553-I556 HydrophobicContact CB-CD1 4.27Å; C553-I556 HydrophobicContact CB-CG2 4.08Å; C553-I556 VanDerWaalsContact O-CG1 3.24Å; C553-I556 WeakPolarHBondContact O-CG1 3.21Å; C553-I556 WeakPolarHBondContact O-CG2 3.42Å; C553-I556 PolarHBondContact O-N 2.72Å
554	P	83.9	Confident	79.2	Confident	73 Å²	73	58.6 Å²	58.6	47%	0.474	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.3	-169.2	21.8	-34.1	0	0	0	114.2	A550 G552 I556 C557	A550-P554 WeakPolarHBondContact O-CA 3.25Å; G552-P554 VanDerWaalsContact C-CD 3.4Å; G552-P554 WeakPolarHBondContact O-CD 3.43Å; P554-I556 PolarHBondContact O-N 2.93Å; P554-C557 PolarHBondContact O-N 3.22Å
555	R	84.1	Confident	76.2	Confident	50 Å²	50	59 Å²	59	19%	0.189	33%	0.326	C	S	.	.	H	α-helix	trans	-57.7	-20.5	178.4	-65.1	-178.3	63	-167.2	1	114.6	D256 L289 Q529 C553 C557 Q559	D256-R555 PolarHBondContact O-NH1 2.84Å; D256-R555 VanDerWaalsContact O-NH1 3.09Å; L289-R555 HydrophobicContact CD1-CB 4.08Å; L289-R555 PolarHBondContact O-NH1 3.04Å; Q529-R555 VanDerWaalsContact OE1-NH2 3.14Å; C553-R555 PolarHBondContact O-N 3.38Å; R555-C557 VanDerWaalsContact C-N 3.29Å; R555-C557 PolarHBondContact O-N 3.24Å; R555-Q559 VanDerWaalsContact O-CG 3.24Å; R555-Q559 WeakPolarHBondContact O-CG 3.45Å
556	I	83.2	Confident	73.1	Confident	3 Å²	3	65 Å²	65	2%	0.015	37%	0.366	C	S	.	.	H	α-helix	trans	-71.3	-27.6	177.8	74.5	-171.8	0	0	0	112.3	L288 F531 V549 C553 P554 N560	L288-I556 HydrophobicContact CB-CG2 3.96Å; L288-I556 HydrophobicContact CD2-CG2 3.61Å; L288-I556 HydrophobicContact CG-CG2 4.37Å; F531-I556 HydrophobicContact CB-CG2 4.46Å; F531-I556 HydrophobicContact CD1-CB 4.17Å; F531-I556 HydrophobicContact CD1-CG2 4.1Å; V549-I556 HydrophobicContact CG1-CD1 3.95Å; C553-I556 HydrophobicContact CB-CD1 4.27Å; C553-I556 HydrophobicContact CB-CG2 4.08Å; C553-I556 VanDerWaalsContact O-CG1 3.24Å; C553-I556 WeakPolarHBondContact O-CG1 3.21Å; C553-I556 WeakPolarHBondContact O-CG2 3.42Å; C553-I556 PolarHBondContact O-N 2.72Å; P554-I556 PolarHBondContact O-N 2.93Å; I556-N560 PolarHBondContact O-ND2 3.05Å
557	C	75	Confident	70	Confident	36 Å²	36	69.8 Å²	69.8	24%	0.243	40%	0.4	C	S	.	.	H	α-helix	trans	-78.4	-34.2	179.5	-64.9	0	0	0	0	111	P554 R555 Q559 N560 L561	P554-C557 PolarHBondContact O-N 3.22Å; R555-C557 VanDerWaalsContact C-N 3.29Å; R555-C557 PolarHBondContact O-N 3.24Å; C557-Q559 VanDerWaalsContact C-N 3.31Å; C557-Q559 PolarHBondContact O-N 2.77Å; C557-N560 PolarHBondContact O-N 2.94Å; C557-L561 PolarHBondContact O-N 3.11Å
558	E	75.1	Confident	67.1	Low	104 Å²	104	74.9 Å²	74.9	49%	0.486	42%	0.416	S	S	.	.	H	α-helix	trans	-59.2	-40.4	176.6	-64.8	165.7	-172	0	0	111.6	N560 L561 E562	E558-N560 VanDerWaalsContact C-N 3.27Å; E558-N560 PolarHBondContact O-N 3.06Å; E558-L561 PolarHBondContact O-N 3.13Å; E558-L561 VanDerWaalsContact O-N 3.16Å; E558-E562 PolarHBondContact O-N 3.13Å; E558-E562 VanDerWaalsContact O-N 3.16Å
559	Q	70.2	Confident	64.2	Low	30 Å²	30	79.5 Å²	79.5	14%	0.14	45%	0.45	C	S	.	.	H	α-helix	trans	-63.7	-30.4	-178.5	-38.4	-153.3	-89.7	0	0	114.1	L289 Q529 R555 C557 K563	L289-Q559 HydrophobicContact CD1-CG 4.16Å; Q529-Q559 PolarHBondContact O-NE2 2.67Å; Q529-Q559 PolarHBondContact O-OE1 2.73Å; R555-Q559 VanDerWaalsContact O-CG 3.24Å; R555-Q559 WeakPolarHBondContact O-CG 3.45Å; C557-Q559 VanDerWaalsContact C-N 3.31Å; C557-Q559 PolarHBondContact O-N 2.77Å; Q559-K563 PolarHBondContact O-N 3.19Å
560	N	60.5	Low	61.1	Low	36 Å²	36	82.7 Å²	82.7	19%	0.193	48%	0.484	C	S	.	.	H	α-helix	trans	-82.2	-26.6	179.9	-71.7	-62.6	0	0	0	111.6	L533 I556 C557 E558 N564	L533-N560 WeakPolarHBondContact CB-ND2 3.43Å; L533-N560 WeakPolarHBondContact CD2-ND2 3.48Å; I556-N560 PolarHBondContact O-ND2 3.05Å; C557-N560 PolarHBondContact O-N 2.94Å; E558-N560 VanDerWaalsContact C-N 3.27Å; E558-N560 PolarHBondContact O-N 3.06Å; N560-N564 WeakPolarHBondContact O-CB 3.48Å; N560-N564 PolarHBondContact O-N 3.1Å; N560-N564 PolarHBondContact O-ND2 3.46Å
561	L	58.2	Low	58.3	Low	128 Å²	128	91.6 Å²	91.6	67%	0.67	52%	0.522	S	S	*	.	H	α-helix	trans	-68.6	-42.3	172.2	-68.8	169.2	0	0	0	110.9	C557 E558 K563 N564 G565	C557-L561 PolarHBondContact O-N 3.11Å; E558-L561 PolarHBondContact O-N 3.13Å; E558-L561 VanDerWaalsContact O-N 3.16Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.48Å; L561-N564 PolarHBondContact O-N 3.01Å; L561-N564 VanDerWaalsContact O-N 3.11Å; L561-G565 PolarHBondContact O-N 3.42Å
562	E	53	Low	55.3	Low	162 Å²	162	94.2 Å²	94.2	76%	0.757	53%	0.531	S	S	*	.	H	α-helix	trans	-63.2	-36.8	176.8	-69.9	-179.8	172.8	0	0	112.6	E558 N564	E558-E562 PolarHBondContact O-N 3.13Å; E558-E562 VanDerWaalsContact O-N 3.16Å; E562-N564 VanDerWaalsContact C-N 3.29Å; E562-N564 PolarHBondContact O-N 2.75Å
563	K	53.3	Low	52.6	Low	156 Å²	156	99.7 Å²	99.7	68%	0.678	56%	0.561	S	S	*	*	H	α-helix	trans	-71.8	-21.4	175.1	-73.9	-178.9	-179.8	177.9	0	113.8	Q559 L561	Q559-K563 PolarHBondContact O-N 3.19Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.48Å
564	N	43.8	Very low	49.8	Very low	129 Å²	129	105.6 Å²	105.6	69%	0.69	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	5.3	-179.2	-71.7	-18.2	0	0	0	114	N560 L561 E562 C566	N560-N564 WeakPolarHBondContact O-CB 3.48Å; N560-N564 PolarHBondContact O-N 3.1Å; N560-N564 PolarHBondContact O-ND2 3.46Å; L561-N564 PolarHBondContact O-N 3.01Å; L561-N564 VanDerWaalsContact O-N 3.11Å; E562-N564 VanDerWaalsContact C-N 3.29Å; E562-N564 PolarHBondContact O-N 2.75Å; N564-C566 PolarHBondContact O-N 3.43Å
565	G	31.3	Very low	47.3	Very low	57 Å²	57	108.1 Å²	108.1	59%	0.588	62%	0.617	S	S	*	*			trans	39.7	64.2	157.2	0	0	0	0	0	117	L561 S567	L561-G565 PolarHBondContact O-N 3.42Å; G565-S567 PolarHBondContact O-N 3.24Å
566	C	29.5	Very low	44.7	Very low	126 Å²	126	110.2 Å²	110.2	85%	0.851	65%	0.645	S	S	*	*			trans	-78.8	97.6	154	-84.9	0	0	0	0	108.1	N564 E568	N564-C566 PolarHBondContact O-N 3.43Å; C566-E568 PolarHBondContact O-N 3.31Å
567	S	27.7	Very low	42.2	Very low	117 Å²	117	119.3 Å²	119.3	82%	0.818	69%	0.688	S	S	*	*			trans	-78.9	98	161.9	40.4	0	0	0	0	107.8	G565	G565-S567 PolarHBondContact O-N 3.24Å
568	E	33.7	Very low	40	Very low	184 Å²	184	126.8 Å²	126.8	86%	0.86	72%	0.719	S	S	*	*			trans	-104.6	110.7	161.2	-78	-169.8	169.2	0	0	109.2	C566	C566-E568 PolarHBondContact O-N 3.31Å
569	S	31.6	Very low	37.9	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	73%	0.731	S	S	*	*			trans	-71.2	132.3	170.8	49.5	0	0	0	0	111.5
570	G	29.4	Very low	36.1	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	77%	0.766	S	S	*	*			trans	73.6	107.7	142.5	0	0	0	0	0	117.8
571	E	32	Very low	34.7	Very low	204 Å²	204	139.1 Å²	139.1	95%	0.953	79%	0.793	S	S	*	*				176.5	150.6	97.6	-98.2	-178.6	161.4	0	0	111.3
572	Q	28.4	Very low	33.4	Very low	181 Å²	181	139.8 Å²	139.8	85%	0.846	80%	0.802	S	S	*	*			trans	-71.5	146.6	-170.7	-63.5	165.4	-18.7	0	0	112.8
573	T	31.9	Very low	32.3	Very low	130 Å²	130	137 Å²	137	80%	0.798	80%	0.798	S	S	*	*				177.5	117.5	121	27.7	0	0	0	0	113.7
574	T	29.4	Very low	31.2	Very low	126 Å²	126	138.3 Å²	138.3	77%	0.773	81%	0.809	S	S	*	*			trans	19	121.9	142.4	58.1	0	0	0	0	121.3
575	S	32.4	Very low	30.7	Very low	126 Å²	126	137.9 Å²	137.9	88%	0.881	81%	0.811	S	S	*	*				156	141.6	110.6	59.7	0	0	0	0	111.3
576	A	28.7	Very low	30.6	Very low	95 Å²	95	146 Å²	146	79%	0.785	82%	0.824	S	S	*	*			trans	-80.6	144.5	-173.7	0	0	0	0	0	112.7
577	E	31.1	Very low	30.8	Very low	194 Å²	194	144.8 Å²	144.8	91%	0.907	81%	0.808	S	S	*	*			trans	-177.3	141.9	133.2	-102.6	172	-169.9	0	0	112.1
578	H	29.8	Very low	31	Very low	193 Å²	193	146 Å²	146	89%	0.894	81%	0.811	S	S	*	*			trans	-57.8	126.5	-178	-81	-70.3	0	0	0	114.4
579	V	30.7	Very low	31	Very low	123 Å²	123	142.6 Å²	142.6	75%	0.745	80%	0.802	S	S	*	*			trans	-145.1	116.5	150.9	-177.1	0	0	0	0	110.1	N581	V579-N581 HydrophobicContact CG1-CB 4.44Å; V579-N581 PolarHBondContact O-N 3.49Å; V579-N581 VanDerWaalsContact O-N 3.08Å
580	N	31.3	Very low	31	Very low	164 Å²	164	144 Å²	144	88%	0.877	80%	0.802	S	S	*	*			trans	-61.1	101.7	160.2	-88.6	-26.7	0	0	0	108.7
581	N	32.4	Very low	31.1	Very low	142 Å²	142	147.8 Å²	147.8	76%	0.759	81%	0.807	S	S	*	*			trans	-164.3	96.1	157.3	-94.2	-25.4	0	0	0	107.7	V579 P583	V579-N581 HydrophobicContact CG1-CB 4.44Å; V579-N581 PolarHBondContact O-N 3.49Å; V579-N581 VanDerWaalsContact O-N 3.08Å; N581-P583 WeakPolarHBondContact O-CD 3.34Å
582	T	30.9	Very low	31.1	Very low	141 Å²	141	144.7 Å²	144.7	87%	0.865	80%	0.798	S	S	*	*			trans	-65.7	123.8	169.3	-41	0	0	0	0	108.1	M584	T582-M584 PolarHBondContact O-N 3.37Å
583	P	29.9	Very low	31.2	Very low	103 Å²	103	142.6 Å²	142.6	67%	0.669	80%	0.796	S	S	*	*			trans	-68.5	134.9	178.3	28.1	-31.8	0	0	0	109.4	N581 V585	N581-P583 WeakPolarHBondContact O-CD 3.34Å; P583-V585 PolarHBondContact O-N 3.23Å
584	M	30.5	Very low	31.2	Very low	184 Å²	184	143.4 Å²	143.4	91%	0.906	80%	0.796	S	S	*	*			trans	-59.1	101.3	170.6	-121.6	-167.7	-84.9	0	0	108.5	T582 R586	T582-M584 PolarHBondContact O-N 3.37Å; M584-R586 PolarHBondContact O-N 2.78Å
585	V	31.9	Very low	31.3	Very low	120 Å²	120	144.5 Å²	144.5	73%	0.727	80%	0.797	S	S	*	*			trans	-69.6	101.8	163.3	179	0	0	0	0	105.8	P583 L587	P583-V585 PolarHBondContact O-N 3.23Å; V585-L587 VanDerWaalsContact C-N 3.25Å; V585-L587 PolarHBondContact O-N 2.92Å
586	R	29.8	Very low	31.2	Very low	228 Å²	228	145.9 Å²	145.9	86%	0.86	79%	0.791	S	S	*	*			trans	-60.8	96.5	162.8	-93.9	-175.8	178.1	178	0.1	106.8	M584 T588	M584-R586 PolarHBondContact O-N 2.78Å; R586-T588 VanDerWaalsContact C-N 3.31Å; R586-T588 PolarHBondContact O-N 2.83Å
587	L	33	Very low	31.4	Very low	100 Å²	100	149.8 Å²	149.8	52%	0.524	79%	0.791	S	S	.	*			trans	-64.2	97.9	160.1	-88.9	160.5	0	0	0	106.9	A550 V585 V589	A550-L587 HydrophobicContact CB-CD1 4.14Å; V585-L587 VanDerWaalsContact C-N 3.25Å; V585-L587 PolarHBondContact O-N 2.92Å; L587-V589 VanDerWaalsContact C-N 3.28Å; L587-V589 HydrophobicContact CB-CG2 4.13Å; L587-V589 HydrophobicContact CD2-CG2 4.26Å; L587-V589 PolarHBondContact O-N 3.49Å
588	T	32.7	Very low	31.4	Very low	143 Å²	143	146.1 Å²	146.1	88%	0.877	78%	0.782	S	S	*	*			trans	-64.6	96.5	154.8	28.8	0	0	0	0	107.2	R586	R586-T588 VanDerWaalsContact C-N 3.31Å; R586-T588 PolarHBondContact O-N 2.83Å
589	V	34.3	Very low	31.6	Very low	112 Å²	112	141.8 Å²	141.8	68%	0.679	77%	0.772	S	S	*	*			trans	-112.8	0	164.9	-178.2	0	0	0	0	109.6	M537 K543 L587	M537-V589 HydrophobicContact CE-CG1 3.61Å; K543-V589 PolarHBondContact NZ-O 3Å; L587-V589 VanDerWaalsContact C-N 3.28Å; L587-V589 HydrophobicContact CB-CG2 4.13Å; L587-V589 HydrophobicContact CD2-CG2 4.26Å; L587-V589 PolarHBondContact O-N 3.49Å

Retrieved 589 of 589 residues in 249.4 ms (Link to these results)

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