A0A087YPD2_POEFO Loading...

Glutathione hydrolase

Cleaves the gamma-glutamyl peptide bond of glutathione and glutathione conjugates.

AlphaFold DB , UniProt , Accession A0A087YPD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 572 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	47.8	Very low	67.6	Low	242 Å²	242	135.2 Å²	135.2	100%	1.192	69%	0.687	S	S	*	*				0	103.5	0	-71.8	175.2	-164.7	0	0	109	K3	M1-K3 PolarHBondContact O-N 2.79Å
2	A	52	Low	68.9	Low	105 Å²	105	130.3 Å²	130.3	87%	0.868	67%	0.673	S	S	*	*			trans	-74.3	113.2	179.1	0	0	0	0	0	109.7	R4	A2-R4 PolarHBondContact O-N 3.35Å
3	K	58.6	Low	70.1	Confident	201 Å²	201	127.3 Å²	127.3	87%	0.874	66%	0.664	S	S	*	*			trans	-63.3	104.6	174.6	-74.6	-178.3	176.8	179.6	0	108.4	M1 K5	M1-K3 PolarHBondContact O-N 2.79Å; K3-K5 PolarHBondContact O-N 3.35Å
4	R	60	Low	71.4	Confident	222 Å²	222	126.1 Å²	126.1	84%	0.838	66%	0.657	S	S	*	*			trans	-54.9	121.8	169.5	-84.6	-177.4	171.9	-174	-2.4	107.8	A2	A2-R4 PolarHBondContact O-N 3.35Å
5	K	70.4	Confident	72.6	Confident	148 Å²	148	125.5 Å²	125.5	64%	0.643	65%	0.654	S	S	*	*			trans	-63.6	126.8	-178.5	-66.5	-178.1	178	-179.4	0	108.5	K3 W7 L8	K3-K5 PolarHBondContact O-N 3.35Å; K5-W7 PolarHBondContact O-N 3.22Å; K5-L8 HydrophobicContact CB-CD1 3.91Å; K5-L8 HydrophobicContact CD-CD1 4.4Å; K5-L8 WeakPolarHBondContact O-CB 3.15Å; K5-L8 PolarHBondContact O-N 3.28Å
6	P	71.9	Confident	73.8	Confident	105 Å²	105	125 Å²	125	68%	0.682	65%	0.651	S	S	*	*	H	α-helix	trans	-59.4	-23.2	-174.8	19.8	-31.2	0	0	0	113.8	T9 A10	P6-T9 WeakPolarHBondContact CA-OG1 3.45Å; P6-T9 PolarHBondContact O-N 2.88Å; P6-T9 PolarHBondContact O-OG1 2.96Å; P6-A10 PolarHBondContact O-N 3.42Å; P6-A10 VanDerWaalsContact O-N 3.12Å
7	W	73.7	Confident	74.8	Confident	191 Å²	191	122.3 Å²	122.3	72%	0.723	64%	0.641	S	S	*	*	H	α-helix	trans	-67.4	-35.7	173.3	-177.2	65.6	0	0	0	113.3	K5 T9 A10 C11	K5-W7 PolarHBondContact O-N 3.22Å; W7-T9 PolarHBondContact O-N 3.07Å; W7-A10 PolarHBondContact O-N 2.96Å; W7-C11 PolarHBondContact O-N 3.23Å; W7-C11 PolarHBondContact O-SG 2.74Å; W7-C11 VanDerWaalsContact O-SG 3.41Å
8	L	73.8	Confident	75.8	Confident	99 Å²	99	121.1 Å²	121.1	52%	0.518	63%	0.634	S	S	.	*	H	α-helix	trans	-65.8	-39.3	175.8	-92.8	115.8	0	0	0	111.7	K5 C11 C12	K5-L8 HydrophobicContact CB-CD1 3.91Å; K5-L8 HydrophobicContact CD-CD1 4.4Å; K5-L8 WeakPolarHBondContact O-CB 3.15Å; K5-L8 PolarHBondContact O-N 3.28Å; L8-C11 PolarHBondContact O-N 3.5Å; L8-C12 PolarHBondContact O-N 2.84Å; L8-C12 PolarHBondContact O-SG 2.82Å
9	T	76.1	Confident	76.6	Confident	67 Å²	67	118.4 Å²	118.4	41%	0.411	63%	0.626	S	S	.	*	H	α-helix	trans	-66.5	-39.2	175.1	38.3	0	0	0	0	112.1	P6 W7 C12 V13	P6-T9 WeakPolarHBondContact CA-OG1 3.45Å; P6-T9 PolarHBondContact O-N 2.88Å; P6-T9 PolarHBondContact O-OG1 2.96Å; W7-T9 PolarHBondContact O-N 3.07Å; T9-C12 PolarHBondContact O-N 3.1Å; T9-V13 WeakPolarHBondContact O-CG2 3.38Å; T9-V13 PolarHBondContact O-N 2.98Å
10	A	78.6	Confident	77.3	Confident	56 Å²	56	115.2 Å²	115.2	46%	0.463	62%	0.616	S	S	.	*	H	α-helix	trans	-64.9	-42.5	175.6	0	0	0	0	0	112	P6 W7 V13 L14	P6-A10 PolarHBondContact O-N 3.42Å; P6-A10 VanDerWaalsContact O-N 3.12Å; W7-A10 PolarHBondContact O-N 2.96Å; A10-V13 PolarHBondContact O-N 3.28Å; A10-L14 WeakPolarHBondContact O-CB 3.3Å; A10-L14 PolarHBondContact O-N 3.05Å
11	C	81.3	Confident	78	Confident	51 Å²	51	113.7 Å²	113.7	35%	0.345	61%	0.612	S	S	.	*	H	α-helix	trans	-62.6	-42	174.6	-73.9	0	0	0	0	112.3	W7 L8 L14 L15	W7-C11 PolarHBondContact O-N 3.23Å; W7-C11 PolarHBondContact O-SG 2.74Å; W7-C11 VanDerWaalsContact O-SG 3.41Å; L8-C11 PolarHBondContact O-N 3.5Å; C11-L14 PolarHBondContact O-N 3.12Å; C11-L15 WeakPolarHBondContact O-CB 3.43Å; C11-L15 PolarHBondContact O-N 3.47Å
12	C	82.3	Confident	80	Confident	76 Å²	76	104.9 Å²	104.9	51%	0.514	58%	0.577	S	S	.	*	H	α-helix	trans	-63.7	-42.9	176.5	-71.8	0	0	0	0	112.4	L8 T9 L15 I16	L8-C12 PolarHBondContact O-N 2.84Å; L8-C12 PolarHBondContact O-SG 2.82Å; T9-C12 PolarHBondContact O-N 3.1Å; C12-L15 PolarHBondContact O-N 3.17Å; C12-I16 WeakPolarHBondContact O-CD1 3.21Å; C12-I16 VanDerWaalsContact O-CG1 3.26Å; C12-I16 WeakPolarHBondContact O-CG1 3.43Å; C12-I16 PolarHBondContact O-N 2.77Å
13	V	84.9	Confident	81.8	Confident	92 Å²	92	105.2 Å²	105.2	56%	0.558	56%	0.564	S	S	*	*	H	α-helix	trans	-64.3	-43.7	177	172.1	0	0	0	0	110.9	T9 A10 L15 I16 V17	T9-V13 WeakPolarHBondContact O-CG2 3.38Å; T9-V13 PolarHBondContact O-N 2.98Å; A10-V13 PolarHBondContact O-N 3.28Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 2.74Å; V13-I16 PolarHBondContact O-N 2.59Å; V13-V17 WeakPolarHBondContact O-CG2 3.05Å; V13-V17 PolarHBondContact O-N 3.39Å
14	L	88.3	Confident	83.2	Confident	110 Å²	110	99.7 Å²	99.7	58%	0.576	55%	0.547	S	S	*	.	H	α-helix	trans	-61.5	-41.8	176.9	-169.2	72.7	0	0	0	111.6	A10 C11 V17 I18	A10-L14 WeakPolarHBondContact O-CB 3.3Å; A10-L14 PolarHBondContact O-N 3.05Å; C11-L14 PolarHBondContact O-N 3.12Å; L14-V17 PolarHBondContact O-N 2.62Å; L14-I18 HydrophobicContact CG-CD1 4.03Å; L14-I18 VanDerWaalsContact O-CG1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.35Å; L14-I18 PolarHBondContact O-N 3.38Å
15	L	90.1	Very high	84.2	Confident	117 Å²	117	92 Å²	92	61%	0.613	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-42.8	177.4	-145.4	100.3	0	0	0	111.6	C11 C12 V13 I18 C19	C11-L15 WeakPolarHBondContact O-CB 3.43Å; C11-L15 PolarHBondContact O-N 3.47Å; C12-L15 PolarHBondContact O-N 3.17Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 2.74Å; L15-I18 PolarHBondContact O-N 2.97Å; L15-C19 WeakPolarHBondContact O-CB 3.22Å; L15-C19 PolarHBondContact O-N 2.8Å; L15-C19 PolarHBondContact O-SG 3.47Å
16	I	90.8	Very high	84.6	Confident	118 Å²	118	90.3 Å²	90.3	61%	0.605	52%	0.524	S	S	*	.	H	α-helix	trans	-62.9	-43	177.2	-69.4	164.9	0	0	0	110.8	C12 V13 C19 A20	C12-I16 WeakPolarHBondContact O-CD1 3.21Å; C12-I16 VanDerWaalsContact O-CG1 3.26Å; C12-I16 WeakPolarHBondContact O-CG1 3.43Å; C12-I16 PolarHBondContact O-N 2.77Å; V13-I16 PolarHBondContact O-N 2.59Å; I16-C19 PolarHBondContact O-N 3.01Å; I16-A20 WeakPolarHBondContact O-CB 3.36Å; I16-A20 PolarHBondContact O-N 2.78Å
17	V	91.2	Very high	84.8	Confident	79 Å²	79	88.1 Å²	88.1	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-44	177.6	173	0	0	0	0	111	V13 L14 C19 A20 V21	V13-V17 WeakPolarHBondContact O-CG2 3.05Å; V13-V17 PolarHBondContact O-N 3.39Å; L14-V17 PolarHBondContact O-N 2.62Å; V17-C19 PolarHBondContact O-N 3.32Å; V17-A20 PolarHBondContact O-N 3.19Å; V17-V21 HydrophobicContact CG1-CG2 4.42Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.49Å; V17-V21 PolarHBondContact O-N 3.22Å
18	I	92.4	Very high	84.7	Confident	101 Å²	101	83 Å²	83	52%	0.518	50%	0.497	S	S	.	.	H	α-helix	trans	-62	-44.4	176.4	-68.5	166.2	0	0	0	110.7	L14 L15 A20 V21 A22	L14-I18 HydrophobicContact CG-CD1 4.03Å; L14-I18 VanDerWaalsContact O-CG1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.35Å; L14-I18 PolarHBondContact O-N 3.38Å; L15-I18 PolarHBondContact O-N 2.97Å; I18-A20 PolarHBondContact O-N 3.35Å; I18-V21 PolarHBondContact O-N 3.21Å; I18-A22 WeakPolarHBondContact O-CB 3.39Å; I18-A22 PolarHBondContact O-N 3.28Å
19	C	91.2	Very high	84.1	Confident	70 Å²	70	82 Å²	82	47%	0.473	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-42.8	176	-73.1	0	0	0	0	111.9	L15 I16 V17 A22 L23	L15-C19 WeakPolarHBondContact O-CB 3.22Å; L15-C19 PolarHBondContact O-N 2.8Å; L15-C19 PolarHBondContact O-SG 3.47Å; I16-C19 PolarHBondContact O-N 3.01Å; V17-C19 PolarHBondContact O-N 3.32Å; C19-A22 PolarHBondContact O-N 3.45Å; C19-L23 WeakPolarHBondContact O-CB 3.26Å; C19-L23 PolarHBondContact O-N 2.96Å
20	A	91.3	Very high	83.3	Confident	53 Å²	53	83 Å²	83	44%	0.438	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-43.9	177.6	0	0	0	0	0	111.9	I16 V17 I18 L23 V24	I16-A20 WeakPolarHBondContact O-CB 3.36Å; I16-A20 PolarHBondContact O-N 2.78Å; V17-A20 PolarHBondContact O-N 3.19Å; I18-A20 PolarHBondContact O-N 3.35Å; A20-L23 PolarHBondContact O-N 2.85Å; A20-V24 VanDerWaalsContact O-CG2 3.29Å; A20-V24 WeakPolarHBondContact O-CG2 3.15Å; A20-V24 PolarHBondContact O-N 2.76Å
21	V	91.6	Very high	82.3	Confident	85 Å²	85	87.2 Å²	87.2	52%	0.515	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-44.8	175.2	172.6	0	0	0	0	110.6	V17 I18 L23 V24 S25	V17-V21 HydrophobicContact CG1-CG2 4.42Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.49Å; V17-V21 PolarHBondContact O-N 3.22Å; I18-V21 PolarHBondContact O-N 3.21Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 3.06Å; V21-V24 PolarHBondContact O-N 2.95Å; V21-S25 WeakPolarHBondContact O-CB 3.41Å; V21-S25 PolarHBondContact O-N 3.32Å; V21-S25 PolarHBondContact O-OG 3.18Å; V21-S25 VanDerWaalsContact O-OG 3.07Å
22	A	88.8	Confident	81.1	Confident	56 Å²	56	90.4 Å²	90.4	46%	0.463	53%	0.531	S	S	.	.	H	α-helix	trans	-62.3	-38.4	177	0	0	0	0	0	112.3	I18 C19 L26	I18-A22 WeakPolarHBondContact O-CB 3.39Å; I18-A22 PolarHBondContact O-N 3.28Å; C19-A22 PolarHBondContact O-N 3.45Å; A22-L26 WeakPolarHBondContact O-CB 3.15Å; A22-L26 PolarHBondContact O-N 3.44Å
23	L	89.8	Confident	79.4	Confident	112 Å²	112	89.4 Å²	89.4	59%	0.586	53%	0.534	S	S	*	.	H	α-helix	trans	-68.1	-42	176.6	-127	137.2	0	0	0	111.7	C19 A20 V21 L26 C27	C19-L23 WeakPolarHBondContact O-CB 3.26Å; C19-L23 PolarHBondContact O-N 2.96Å; A20-L23 PolarHBondContact O-N 2.85Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 3.06Å; L23-L26 PolarHBondContact O-N 3.07Å; L23-C27 WeakPolarHBondContact O-CB 3.5Å; L23-C27 PolarHBondContact O-N 3.23Å; L23-C27 PolarHBondContact O-SG 3.41Å; L23-C27 VanDerWaalsContact O-SG 3.39Å
24	V	89.2	Confident	78	Confident	86 Å²	86	88.5 Å²	88.5	52%	0.521	54%	0.535	S	S	.	.	H	α-helix	trans	-64.7	-45.4	174.7	170.9	0	0	0	0	110.5	A20 V21 L26 C27 I28	A20-V24 VanDerWaalsContact O-CG2 3.29Å; A20-V24 WeakPolarHBondContact O-CG2 3.15Å; A20-V24 PolarHBondContact O-N 2.76Å; V21-V24 PolarHBondContact O-N 2.95Å; V24-L26 PolarHBondContact O-N 3.43Å; V24-C27 PolarHBondContact O-N 2.84Å; V24-I28 HydrophobicContact CG1-CD1 3.65Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; V24-I28 WeakPolarHBondContact O-CB 3.5Å; V24-I28 WeakPolarHBondContact O-CG1 3.24Å; V24-I28 PolarHBondContact O-N 3.48Å
25	S	79.8	Confident	76.8	Confident	59 Å²	59	85.3 Å²	85.3	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-43.2	174.9	-65.3	0	0	0	0	111.7	V21 I28 S29	V21-S25 WeakPolarHBondContact O-CB 3.41Å; V21-S25 PolarHBondContact O-N 3.32Å; V21-S25 PolarHBondContact O-OG 3.18Å; V21-S25 VanDerWaalsContact O-OG 3.07Å; S25-I28 PolarHBondContact O-N 2.95Å; S25-S29 VanDerWaalsContact O-CB 3.31Å; S25-S29 WeakPolarHBondContact O-CB 3.16Å; S25-S29 PolarHBondContact O-N 3.27Å; S25-S29 PolarHBondContact O-OG 2.92Å
26	L	79.3	Confident	76.3	Confident	114 Å²	114	81 Å²	81	60%	0.597	51%	0.508	S	S	*	.	H	α-helix	trans	-64.4	-44.7	176.5	-170.8	72	0	0	0	111.2	A22 L23 V24 I28 S29 T30	A22-L26 WeakPolarHBondContact O-CB 3.15Å; A22-L26 PolarHBondContact O-N 3.44Å; L23-L26 PolarHBondContact O-N 3.07Å; V24-L26 PolarHBondContact O-N 3.43Å; L26-I28 PolarHBondContact O-N 2.82Å; L26-S29 CarbonylContact O-C 3.53Å; L26-S29 PolarHBondContact O-N 2.91Å; L26-T30 WeakPolarHBondContact O-CG2 3.34Å; L26-T30 PolarHBondContact O-N 3.46Å; L26-T30 PolarHBondContact O-OG1 3.03Å
27	C	76.2	Confident	75.5	Confident	59 Å²	59	79.9 Å²	79.9	40%	0.399	51%	0.511	S	S	.	.	H	α-helix	trans	-59.7	-45.7	174.7	-80	0	0	0	0	111.7	L23 V24 T30 L31	L23-C27 WeakPolarHBondContact O-CB 3.5Å; L23-C27 PolarHBondContact O-N 3.23Å; L23-C27 PolarHBondContact O-SG 3.41Å; L23-C27 VanDerWaalsContact O-SG 3.39Å; V24-C27 PolarHBondContact O-N 2.84Å; C27-T30 VanDerWaalsContact CA-OG1 3.29Å; C27-T30 WeakPolarHBondContact CA-OG1 3.45Å; C27-T30 PolarHBondContact O-N 3.06Å; C27-T30 PolarHBondContact O-OG1 3.5Å; C27-L31 VanDerWaalsContact O-CB 3.3Å; C27-L31 WeakPolarHBondContact O-CB 3.29Å; C27-L31 WeakPolarHBondContact O-CD1 3.49Å; C27-L31 WeakPolarHBondContact O-CG 3.43Å; C27-L31 PolarHBondContact O-N 2.97Å
28	I	72.1	Confident	74.4	Confident	84 Å²	84	80.1 Å²	80.1	43%	0.431	53%	0.53	S	S	.	.	H	α-helix	trans	-62.8	-43.5	175.7	-69.7	168.2	0	0	0	110.3	V24 S25 L26 T30 L31 L32	V24-I28 HydrophobicContact CG1-CD1 3.65Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; V24-I28 WeakPolarHBondContact O-CB 3.5Å; V24-I28 WeakPolarHBondContact O-CG1 3.24Å; V24-I28 PolarHBondContact O-N 3.48Å; S25-I28 PolarHBondContact O-N 2.95Å; L26-I28 PolarHBondContact O-N 2.82Å; I28-T30 VanDerWaalsContact C-N 3.35Å; I28-T30 PolarHBondContact O-N 3.06Å; I28-L31 PolarHBondContact O-N 3.3Å; I28-L32 HydrophobicContact CG2-CD1 3.45Å; I28-L32 VanDerWaalsContact CG2-CD1 3.45Å; I28-L32 HydrophobicContact CG2-CG 4.17Å; I28-L32 VanDerWaalsContact O-CB 3.24Å; I28-L32 WeakPolarHBondContact O-CB 3.24Å; I28-L32 VanDerWaalsContact O-CG 3.24Å; I28-L32 WeakPolarHBondContact O-CG 3.29Å; I28-L32 PolarHBondContact O-N 3.42Å
29	S	60	Low	73.7	Confident	77 Å²	77	78.5 Å²	78.5	54%	0.538	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-34.2	176.2	-64.5	0	0	0	0	112.6	S25 L26 G33	S25-S29 VanDerWaalsContact O-CB 3.31Å; S25-S29 WeakPolarHBondContact O-CB 3.16Å; S25-S29 PolarHBondContact O-N 3.27Å; S25-S29 PolarHBondContact O-OG 2.92Å; L26-S29 CarbonylContact O-C 3.53Å; L26-S29 PolarHBondContact O-N 2.91Å; S29-G33 WeakPolarHBondContact O-CA 3.35Å; S29-G33 PolarHBondContact O-N 3.13Å
30	T	60.6	Low	73.7	Confident	88 Å²	88	79.8 Å²	79.8	54%	0.54	53%	0.533	S	S	.	.	H	α-helix	trans	-74.7	-36.1	174	50.6	0	0	0	0	112.5	L26 C27 I28 A34	L26-T30 WeakPolarHBondContact O-CG2 3.34Å; L26-T30 PolarHBondContact O-N 3.46Å; L26-T30 PolarHBondContact O-OG1 3.03Å; C27-T30 VanDerWaalsContact CA-OG1 3.29Å; C27-T30 WeakPolarHBondContact CA-OG1 3.45Å; C27-T30 PolarHBondContact O-N 3.06Å; C27-T30 PolarHBondContact O-OG1 3.5Å; I28-T30 VanDerWaalsContact C-N 3.35Å; I28-T30 PolarHBondContact O-N 3.06Å; T30-A34 PolarHBondContact O-N 3.44Å
31	L	58.3	Low	73.9	Confident	144 Å²	144	79.1 Å²	79.1	75%	0.754	52%	0.52	S	S	*	.	H	α-helix	trans	-71.5	-37.8	176.3	-84.7	154.9	0	0	0	112.1	C27 I28	C27-L31 VanDerWaalsContact O-CB 3.3Å; C27-L31 WeakPolarHBondContact O-CB 3.29Å; C27-L31 WeakPolarHBondContact O-CD1 3.49Å; C27-L31 WeakPolarHBondContact O-CG 3.43Å; C27-L31 PolarHBondContact O-N 2.97Å; I28-L31 PolarHBondContact O-N 3.3Å
32	L	55.7	Low	74	Confident	119 Å²	119	80 Å²	80	62%	0.623	51%	0.514	S	S	*	.	H	α-helix	trans	-83.6	-28.1	176.1	-66	173.3	0	0	0	112.5	I28 R42	I28-L32 HydrophobicContact CG2-CD1 3.45Å; I28-L32 VanDerWaalsContact CG2-CD1 3.45Å; I28-L32 HydrophobicContact CG2-CG 4.17Å; I28-L32 VanDerWaalsContact O-CB 3.24Å; I28-L32 WeakPolarHBondContact O-CB 3.24Å; I28-L32 VanDerWaalsContact O-CG 3.24Å; I28-L32 WeakPolarHBondContact O-CG 3.29Å; I28-L32 PolarHBondContact O-N 3.42Å; L32-R42 PolarHBondContact O-NH1 3.25Å; L32-R42 PolarHBondContact O-NH2 3.43Å
33	G	46.7	Very low	74.3	Confident	55 Å²	55	81.8 Å²	81.8	57%	0.567	51%	0.513	S	S	*	.	H	α-helix	trans	-89.7	-3.6	-173.2	0	0	0	0	0	115.8	S29 G35	S29-G33 WeakPolarHBondContact O-CA 3.35Å; S29-G33 PolarHBondContact O-N 3.13Å; G33-G35 PolarHBondContact O-N 3.24Å
34	A	55.8	Low	74.7	Confident	72 Å²	72	76.5 Å²	76.5	60%	0.595	49%	0.485	S	S	*	.			trans	-69.1	82.8	164.7	0	0	0	0	0	109	T30	T30-A34 PolarHBondContact O-N 3.44Å
35	G	63	Low	75.1	Confident	43 Å²	43	72.4 Å²	72.4	44%	0.443	46%	0.46	S	S	.	.			trans	-57.4	140	170	0	0	0	0	0	111.2	G33 S37 R42	G33-G35 PolarHBondContact O-N 3.24Å; G35-S37 PolarHBondContact O-N 3.28Å; G35-R42 VanDerWaalsContact CA-NH2 3.25Å
36	C	79	Confident	76	Confident	26 Å²	26	69.6 Å²	69.6	18%	0.176	44%	0.44	C	S	.	.			trans	-59.5	107.9	163.8	-63.4	0	0	0	0	108.1	R40 R42 C556	C36-R40 HydrophobicContact CB-CB 3.77Å; C36-R42 HydrophobicContact CB-CG 4.32Å; C36-R42 WeakPolarHBondContact SG-CG 3.33Å; C36-C556 WeakPolarHBondContact CA-SG 3.49Å; C36-C556 HydrophobicContact CB-CB 3.94Å; C36-C556 WeakPolarHBondContact CB-SG 3.32Å; C36-C556 VanDerWaalsContact SG-CA 3.53Å; C36-C556 WeakPolarHBondContact SG-CB 3.38Å; C36-C556 CovalentContact SG-SG 2.04Å; C36-C556 PolarHBondContact SG-SG 2.72Å
37	S	72.8	Confident	76.9	Confident	95 Å²	95	64.1 Å²	64.1	66%	0.664	41%	0.412	S	S	*	.			trans	-79.5	156.3	177.5	56	0	0	0	0	111.1	G35	G35-S37 PolarHBondContact O-N 3.28Å
38	G	68.8	Low	78	Confident	84 Å²	84	61.3 Å²	61.3	87%	0.866	39%	0.393	S	S	*	.	S	Bend	trans	77.4	31.2	166.7	0	0	0	0	0	116.1
39	G	76.9	Confident	79.1	Confident	67 Å²	67	57.3 Å²	57.3	69%	0.691	37%	0.372	S	S	*	.	S	Bend	trans	79.1	17.1	176.3	0	0	0	0	0	114.6
40	R	91.9	Very high	80.8	Confident	97 Å²	97	54.3 Å²	54.3	37%	0.366	35%	0.351	S	S	.	.			trans	-82	149.6	172.8	-71.3	177.4	171.1	-174.4	-5.1	111.1	C36 C556 I557 E558	C36-R40 HydrophobicContact CB-CB 3.77Å; R40-C556 HydrophobicContact CB-CB 4.32Å; R40-I557 CarbonylContact C-O 3.59Å; R40-I557 WeakPolarHBondContact CA-O 3.3Å; R40-E558 HydrophobicContact CG-CB 4.12Å; R40-E558 IonicContact CZ-OE2 3.76Å; R40-E558 IonicContact NE-OE2 3.82Å; R40-E558 PolarHBondContact NE-OE2 3.14Å; R40-E558 IonicContact NH2-OE2 2.81Å; R40-E558 PolarHBondContact NH2-OE2 3.39Å
41	F	95.4	Very high	82.5	Confident	39 Å²	39	54.8 Å²	54.8	17%	0.171	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-100.7	152.6	-178.8	-52.7	-70.7	0	0	0	111	A45 C556 I557 A559 G571	F41-A45 HydrophobicContact CB-CB 4.28Å; F41-A45 HydrophobicContact CD2-CB 3.53Å; F41-A45 HydrophobicContact CE2-CB 4.17Å; F41-A45 HydrophobicContact CG-CB 4.1Å; F41-C556 CarbonylContact O-C 3.17Å; F41-I557 HydrophobicContact CB-CB 4.36Å; F41-I557 PolarHBondContact N-O 3.48Å; F41-I557 PolarHBondContact O-N 3.17Å; F41-A559 HydrophobicContact CD2-CB 4.11Å; F41-A559 HydrophobicContact CE2-CB 3.92Å; F41-G571 WeakPolarHBondContact CD1-O 3.29Å; F41-G571 VanDerWaalsContact CE1-C 3.47Å; F41-G571 WeakPolarHBondContact CE1-O 3.49Å
42	R	93.3	Very high	84.4	Confident	105 Å²	105	51.4 Å²	51.4	40%	0.396	33%	0.33	S	S	.	.	S	Bend	trans	-94.2	-39.4	-177.5	-79.6	-176.4	-179.2	-125.3	17	112.4	L32 G35 C36 Y572	L32-R42 PolarHBondContact O-NH1 3.25Å; L32-R42 PolarHBondContact O-NH2 3.43Å; G35-R42 VanDerWaalsContact CA-NH2 3.25Å; C36-R42 HydrophobicContact CB-CG 4.32Å; C36-R42 WeakPolarHBondContact SG-CG 3.33Å; R42-Y572 PolarHBondContact N-O 3.35Å; R42-Y572 VanDerWaalsContact N-O 3.16Å
43	H	95.3	Very high	86.4	Confident	93 Å²	93	45.7 Å²	45.7	43%	0.431	30%	0.3	S	S	.	.	S	Bend	trans	-109.6	-54	-164.8	-60.5	-66.7	0	0	0	111.4	D393 A394 Y572	H43-D393 CarbonylContact O-C 3.55Å; H43-A394 HydrophobicContact CB-CB 4.36Å; H43-A394 VanDerWaalsContact O-CA 3.22Å; H43-A394 WeakPolarHBondContact O-CA 3.28Å; H43-A394 PolarHBondContact O-N 2.85Å; H43-Y572 HydrophobicContact CB-CD2 3.87Å; H43-Y572 HydrophobicContact CB-CE2 3.64Å; H43-Y572 AromaticContact CD2-CD2 3.99Å; H43-Y572 PolarHBondContact N-O 2.93Å
44	A	98	Very high	88.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.273	C	S	.	.			trans	-152.5	153.6	-172.9	0	0	0	0	0	111.1	L61 I392 G571 Y572	A44-L61 HydrophobicContact CB-CB 4.24Å; A44-L61 HydrophobicContact CB-CD1 3.96Å; A44-I392 VanDerWaalsContact CA-O 3.27Å; A44-I392 WeakPolarHBondContact CA-O 3.46Å; A44-I392 WeakPolarHBondContact CB-O 3.41Å; A44-G571 CarbonylContact O-C 3.56Å; A44-G571 WeakPolarHBondContact O-CA 3.31Å; A44-Y572 HydrophobicContact CB-CD1 4.38Å; A44-Y572 HydrophobicContact CB-CE1 3.79Å; A44-Y572 PolarHBondContact N-O 3.23Å; A44-Y572 PolarHBondContact O-N 2.89Å
45	A	98.6	Very high	90.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	159.5	174	0	0	0	0	0	112.5	F41 V391 I392 L550 I557 A559 A570	F41-A45 HydrophobicContact CB-CB 4.28Å; F41-A45 HydrophobicContact CD2-CB 3.53Å; F41-A45 HydrophobicContact CE2-CB 4.17Å; F41-A45 HydrophobicContact CG-CB 4.1Å; A45-V391 WeakPolarHBondContact O-CA 3.36Å; A45-I392 PolarHBondContact N-O 2.99Å; A45-I392 PolarHBondContact O-N 2.92Å; A45-L550 VanDerWaalsContact C-CD2 3.45Å; A45-L550 HydrophobicContact CB-CD2 3.55Å; A45-L550 WeakPolarHBondContact O-CD2 3.22Å; A45-I557 HydrophobicContact CB-CG2 3.96Å; A45-A559 HydrophobicContact CB-CB 3.84Å; A45-A570 CarbonylContact C-O 3.28Å; A45-A570 VanDerWaalsContact CA-O 3.28Å; A45-A570 WeakPolarHBondContact CA-O 3.35Å
46	V	98.8	Very high	92.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.1	176.8	-179.2	0	0	0	0	108.4	L61 A74 V389 S390 V391 S569 A570	V46-L61 HydrophobicContact CG2-CD1 3.59Å; V46-A74 HydrophobicContact CG1-CB 4.4Å; V46-V389 HydrophobicContact CG1-CG1 4.29Å; V46-S390 WeakPolarHBondContact CA-O 3.06Å; V46-V391 HydrophobicContact CG1-CG2 4.18Å; V46-V391 HydrophobicContact CG2-CG1 3.99Å; V46-V391 HydrophobicContact CG2-CG2 4.15Å; V46-S569 CarbonylContact O-C 3.49Å; V46-S569 VanDerWaalsContact O-CA 3.24Å; V46-S569 WeakPolarHBondContact O-CA 3.46Å; V46-S569 WeakPolarHBondContact O-CB 3.41Å; V46-A570 PolarHBondContact N-O 3.08Å; V46-A570 PolarHBondContact O-N 3.48Å
47	S	98.6	Very high	93.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.2	168.1	174.7	0	0	0	0	108.8	V389 S390 N548 V560 S561	S47-V389 WeakPolarHBondContact O-CA 3.47Å; S47-S390 PolarHBondContact N-O 2.87Å; S47-S390 PolarHBondContact O-N 3.43Å; S47-N548 VanDerWaalsContact OG-CB 3.23Å; S47-N548 WeakPolarHBondContact OG-CB 3.18Å; S47-V560 VanDerWaalsContact OG-C 3.24Å; S47-V560 PolarHBondContact OG-O 3.42Å; S47-S561 WeakPolarHBondContact OG-CA 3.39Å; S47-S561 PolarHBondContact OG-N 2.7Å; S47-S561 PolarHBondContact OG-OG 3.17Å
48	A	97.9	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.			trans	-135.2	172.1	178.1	0	0	0	0	0	111.4	S50 C53 S54 V389 S561	A48-S50 PolarHBondContact O-N 3.37Å; A48-S50 VanDerWaalsContact O-N 3.16Å; A48-C53 HydrophobicContact CB-CB 4.5Å; A48-S54 WeakPolarHBondContact CB-OG 3.47Å; A48-S54 PolarHBondContact N-OG 3.07Å; A48-S54 VanDerWaalsContact N-OG 3.14Å; A48-V389 HydrophobicContact CB-CG2 3.98Å; A48-S561 PolarHBondContact N-OG 3.15Å; A48-S561 WeakPolarHBondContact O-CB 3.48Å; A48-S561 PolarHBondContact O-OG 3.42Å
49	D	95.1	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-69.7	-5	-179.8	-73.6	-6.1	0	0	0	114.3	T387 V546 N548 K565	D49-T387 WeakPolarHBondContact OD2-CA 3.37Å; D49-T387 WeakPolarHBondContact OD2-CB 3.26Å; D49-T387 PolarHBondContact OD2-OG1 3.29Å; D49-V546 WeakPolarHBondContact OD1-CG1 3.33Å; D49-N548 PolarHBondContact N-ND2 3.38Å; D49-N548 PolarHBondContact OD1-ND2 3.08Å; D49-K565 HydrophobicContact CB-CB 4.4Å; D49-K565 HydrophobicContact CB-CD 3.78Å; D49-K565 VanDerWaalsContact OD2-CD 3.24Å; D49-K565 WeakPolarHBondContact OD2-CD 3.37Å; D49-K565 IonicContact OD2-NZ 4Å; D49-K565 PolarHBondContact OD2-NZ 2.68Å
50	S	95.7	Very high	97.3	Very high	13 Å²	13	32.9 Å²	32.9	9%	0.091	15%	0.149	C	C	.	.	S	Bend	trans	-146.2	146.1	175.6	77.7	0	0	0	0	111.3	A48 L52 C53 S54	A48-S50 PolarHBondContact O-N 3.37Å; A48-S50 VanDerWaalsContact O-N 3.16Å; S50-L52 VanDerWaalsContact C-N 3.3Å; S50-L52 PolarHBondContact O-N 3.34Å; S50-C53 PolarHBondContact O-N 2.91Å; S50-C53 WeakPolarHBondContact OG-CB 3.44Å; S50-C53 PolarHBondContact OG-N 3.23Å; S50-C53 PolarHBondContact OG-SG 3.23Å; S50-S54 PolarHBondContact O-N 3.33Å; S50-S54 VanDerWaalsContact O-N 3.07Å; S50-S54 PolarHBondContact O-OG 2.71Å
51	Q	96.6	Very high	97.6	Very high	98 Å²	98	28.4 Å²	28.4	46%	0.458	13%	0.133	S	C	.	.	H	α-helix	trans	-57.2	-45	175.5	-173.7	178.9	3.9	0	0	111.8	C53 S54 E55 M568	Q51-C53 VanDerWaalsContact C-N 3.32Å; Q51-C53 PolarHBondContact O-N 2.9Å; Q51-S54 PolarHBondContact O-N 3.36Å; Q51-E55 HydrophobicContact CG-CG 4.35Å; Q51-E55 WeakPolarHBondContact O-CB 3.35Å; Q51-E55 WeakPolarHBondContact O-CG 3.42Å; Q51-E55 PolarHBondContact O-N 3.15Å; Q51-M568 HydrophobicContact CB-CB 3.87Å; Q51-M568 HydrophobicContact CB-CG 4.31Å; Q51-M568 HydrophobicContact CB-SD 4.35Å; Q51-M568 HydrophobicContact CG-CB 3.96Å; Q51-M568 HydrophobicContact CG-SD 4.23Å; Q51-M568 PolarHBondContact OE1-SD 3.21Å; Q51-M568 VanDerWaalsContact OE1-SD 3.39Å
52	L	97.9	Very high	97.7	Very high	73 Å²	73	30.8 Å²	30.8	38%	0.382	15%	0.147	S	C	.	.	H	α-helix	trans	-58.4	-43.4	-178.3	176.9	57.1	0	0	0	112	S50 E55 I56 V81 L168	S50-L52 VanDerWaalsContact C-N 3.3Å; S50-L52 PolarHBondContact O-N 3.34Å; L52-E55 PolarHBondContact O-N 3.33Å; L52-I56 HydrophobicContact CD1-CD1 4.15Å; L52-I56 HydrophobicContact CG-CD1 4.3Å; L52-I56 WeakPolarHBondContact O-CG1 3.35Å; L52-I56 PolarHBondContact O-N 3.37Å; L52-V81 HydrophobicContact CD2-CG2 3.89Å; L52-L168 HydrophobicContact CD2-CD1 4.01Å; L52-L168 HydrophobicContact CD2-CD2 4.34Å; L52-L168 HydrophobicContact CG-CD1 4.46Å
53	C	98.5	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-76.7	-32.7	-179.6	-58.6	0	0	0	0	112.9	A48 S50 Q51 E55 I56 G57 A74 C77 T78	A48-C53 HydrophobicContact CB-CB 4.5Å; S50-C53 PolarHBondContact O-N 2.91Å; S50-C53 WeakPolarHBondContact OG-CB 3.44Å; S50-C53 PolarHBondContact OG-N 3.23Å; S50-C53 PolarHBondContact OG-SG 3.23Å; Q51-C53 VanDerWaalsContact C-N 3.32Å; Q51-C53 PolarHBondContact O-N 2.9Å; C53-E55 VanDerWaalsContact C-N 3.32Å; C53-I56 PolarHBondContact O-N 3.32Å; C53-G57 PolarHBondContact O-N 3.02Å; C53-A74 WeakPolarHBondContact O-CB 3.23Å; C53-C77 WeakPolarHBondContact CA-SG 3.36Å; C53-C77 HydrophobicContact CB-CB 3.74Å; C53-C77 WeakPolarHBondContact CB-SG 3.32Å; C53-C77 WeakPolarHBondContact SG-CB 3.49Å; C53-C77 CovalentContact SG-SG 2.06Å; C53-C77 PolarHBondContact SG-SG 3.48Å; C53-T78 PolarHBondContact SG-N 3.31Å
54	S	98.8	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-44	168.7	-62.7	0	0	0	0	111.4	A48 S50 Q51 G57 K58 M568	A48-S54 WeakPolarHBondContact CB-OG 3.47Å; A48-S54 PolarHBondContact N-OG 3.07Å; A48-S54 VanDerWaalsContact N-OG 3.14Å; S50-S54 PolarHBondContact O-N 3.33Å; S50-S54 VanDerWaalsContact O-N 3.07Å; S50-S54 PolarHBondContact O-OG 2.71Å; Q51-S54 PolarHBondContact O-N 3.36Å; S54-G57 PolarHBondContact O-N 3.19Å; S54-K58 WeakPolarHBondContact O-CB 3.31Å; S54-K58 PolarHBondContact O-N 3.41Å; S54-M568 WeakPolarHBondContact CB-O 3.42Å; S54-M568 PolarHBondContact OG-O 3.27Å
55	E	98.7	Very high	98.1	Very high	61 Å²	61	28.4 Å²	28.4	29%	0.285	16%	0.155	S	C	.	.	H	α-helix	trans	-63.5	-43.6	177.5	-78.2	-68.9	139.7	0	0	112.3	Q51 L52 C53 G57 K58 N59 A570	Q51-E55 HydrophobicContact CG-CG 4.35Å; Q51-E55 WeakPolarHBondContact O-CB 3.35Å; Q51-E55 WeakPolarHBondContact O-CG 3.42Å; Q51-E55 PolarHBondContact O-N 3.15Å; L52-E55 PolarHBondContact O-N 3.33Å; C53-E55 VanDerWaalsContact C-N 3.32Å; E55-G57 PolarHBondContact O-N 2.93Å; E55-K58 PolarHBondContact O-N 2.94Å; E55-K58 IonicContact OE1-NZ 3.17Å; E55-K58 PolarHBondContact OE1-NZ 3.03Å; E55-K58 VanDerWaalsContact OE2-CE 3.23Å; E55-K58 WeakPolarHBondContact OE2-CE 3.3Å; E55-K58 IonicContact OE2-NZ 2.7Å; E55-K58 PolarHBondContact OE2-NZ 3.39Å; E55-N59 WeakPolarHBondContact O-CB 3.31Å; E55-N59 PolarHBondContact O-N 3.29Å; E55-N59 PolarHBondContact O-ND2 2.94Å; E55-N59 PolarHBondContact O-OD1 3.42Å; E55-A570 HydrophobicContact CG-CB 4.25Å; E55-A570 WeakPolarHBondContact OE1-CB 3.4Å
56	I	98.9	Very high	98.2	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.062	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-45.6	174.2	-77.8	168.6	0	0	0	111.2	L52 C53 N59 M60 A73 C77 P164 L168	L52-I56 HydrophobicContact CD1-CD1 4.15Å; L52-I56 HydrophobicContact CG-CD1 4.3Å; L52-I56 WeakPolarHBondContact O-CG1 3.35Å; L52-I56 PolarHBondContact O-N 3.37Å; C53-I56 PolarHBondContact O-N 3.32Å; I56-N59 PolarHBondContact O-N 3Å; I56-M60 PolarHBondContact O-N 2.96Å; I56-A73 HydrophobicContact CG2-CB 3.91Å; I56-C77 HydrophobicContact CD1-CB 3.91Å; I56-C77 HydrophobicContact CG2-CB 4.41Å; I56-P164 HydrophobicContact CD1-CB 3.89Å; I56-P164 HydrophobicContact CG1-CB 4.05Å; I56-P164 HydrophobicContact CG2-CB 4.05Å; I56-P164 HydrophobicContact CG2-CG 4.15Å; I56-L168 HydrophobicContact CD1-CD1 3.73Å
57	G	98.8	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-47.8	175.5	0	0	0	0	0	112	C53 S54 E55 N59 M60 L61 G70	C53-G57 PolarHBondContact O-N 3.02Å; S54-G57 PolarHBondContact O-N 3.19Å; E55-G57 PolarHBondContact O-N 2.93Å; G57-N59 VanDerWaalsContact C-N 3.28Å; G57-N59 PolarHBondContact O-N 3.46Å; G57-M60 WeakPolarHBondContact O-CB 3.44Å; G57-M60 PolarHBondContact O-N 3.39Å; G57-M60 VanDerWaalsContact O-N 3.14Å; G57-L61 WeakPolarHBondContact O-CG 3.48Å; G57-L61 PolarHBondContact O-N 3.28Å; G57-G70 WeakPolarHBondContact CA-O 3.27Å
58	K	98.8	Very high	98.2	Very high	30 Å²	30	28.4 Å²	28.4	13%	0.13	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-41	175.6	-179.9	-159.2	65.6	-171.2	0	111.6	S54 E55 M60 L61 L62 A570 Y572	S54-K58 WeakPolarHBondContact O-CB 3.31Å; S54-K58 PolarHBondContact O-N 3.41Å; E55-K58 PolarHBondContact O-N 2.94Å; E55-K58 IonicContact OE1-NZ 3.17Å; E55-K58 PolarHBondContact OE1-NZ 3.03Å; E55-K58 VanDerWaalsContact OE2-CE 3.23Å; E55-K58 WeakPolarHBondContact OE2-CE 3.3Å; E55-K58 IonicContact OE2-NZ 2.7Å; E55-K58 PolarHBondContact OE2-NZ 3.39Å; K58-M60 VanDerWaalsContact C-N 3.27Å; K58-M60 PolarHBondContact O-N 3.32Å; K58-L61 CarbonylContact O-C 3.54Å; K58-L61 WeakPolarHBondContact O-CA 3.34Å; K58-L61 WeakPolarHBondContact O-CB 3.36Å; K58-L61 PolarHBondContact O-N 3.49Å; K58-L62 HydrophobicContact CD-CD1 4.29Å; K58-L62 HydrophobicContact CG-CD1 4.25Å; K58-L62 HydrophobicContact CG-CG 4.48Å; K58-L62 PolarHBondContact O-N 2.95Å; K58-A570 HydrophobicContact CB-CB 4Å; K58-A570 HydrophobicContact CD-CB 4.04Å; K58-A570 HydrophobicContact CG-CB 4.49Å; K58-Y572 HydrophobicContact CG-CD1 4.09Å
59	N	98.8	Very high	98.2	Very high	63 Å²	63	28.4 Å²	28.4	34%	0.337	16%	0.155	S	C	.	.	H	α-helix	trans	-64.7	-31.2	-179.8	-70.8	-20.4	0	0	0	112.4	E55 I56 G57 Q63	E55-N59 WeakPolarHBondContact O-CB 3.31Å; E55-N59 PolarHBondContact O-N 3.29Å; E55-N59 PolarHBondContact O-ND2 2.94Å; E55-N59 PolarHBondContact O-OD1 3.42Å; I56-N59 PolarHBondContact O-N 3Å; G57-N59 VanDerWaalsContact C-N 3.28Å; G57-N59 PolarHBondContact O-N 3.46Å; N59-Q63 WeakPolarHBondContact O-CG 3.47Å; N59-Q63 PolarHBondContact O-N 3.37Å; N59-Q63 PolarHBondContact O-NE2 2.9Å
60	M	98.8	Very high	98.4	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-42.4	170	-63.5	-55.5	117	0	0	111.2	I56 G57 K58 L62 Q63 G65 D69 A73 L156 K160 L161 P164	I56-M60 PolarHBondContact O-N 2.96Å; G57-M60 WeakPolarHBondContact O-CB 3.44Å; G57-M60 PolarHBondContact O-N 3.39Å; G57-M60 VanDerWaalsContact O-N 3.14Å; K58-M60 VanDerWaalsContact C-N 3.27Å; K58-M60 PolarHBondContact O-N 3.32Å; M60-L62 PolarHBondContact O-N 3.34Å; M60-Q63 PolarHBondContact O-N 3.49Å; M60-Q63 VanDerWaalsContact O-N 3.17Å; M60-G65 WeakPolarHBondContact O-CA 3.44Å; M60-G65 PolarHBondContact O-N 3.37Å; M60-D69 HydrophobicContact CB-CB 4.5Å; M60-A73 HydrophobicContact CG-CB 3.51Å; M60-A73 HydrophobicContact SD-CB 4.46Å; M60-L156 HydrophobicContact CB-CD1 3.94Å; M60-L156 HydrophobicContact CG-CD1 4.34Å; M60-L156 HydrophobicContact SD-CD1 3.68Å; M60-K160 HydrophobicContact SD-CG 4.32Å; M60-L161 HydrophobicContact CG-CD2 4.31Å; M60-L161 HydrophobicContact SD-CD2 4.11Å; M60-P164 HydrophobicContact CE-CG 3.83Å
61	L	98.8	Very high	98.6	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-63.9	-39.3	177.7	-58.2	171.3	0	0	0	111.9	A44 V46 G57 K58 Q63 G64 S66 V391 D393 Y572	A44-L61 HydrophobicContact CB-CB 4.24Å; A44-L61 HydrophobicContact CB-CD1 3.96Å; V46-L61 HydrophobicContact CG2-CD1 3.59Å; G57-L61 WeakPolarHBondContact O-CG 3.48Å; G57-L61 PolarHBondContact O-N 3.28Å; K58-L61 CarbonylContact O-C 3.54Å; K58-L61 WeakPolarHBondContact O-CA 3.34Å; K58-L61 WeakPolarHBondContact O-CB 3.36Å; K58-L61 PolarHBondContact O-N 3.49Å; L61-Q63 PolarHBondContact O-N 3.44Å; L61-G64 PolarHBondContact O-N 3.28Å; L61-G64 VanDerWaalsContact O-N 3.15Å; L61-S66 VanDerWaalsContact CD2-C 3.49Å; L61-S66 WeakPolarHBondContact CD2-O 3.37Å; L61-V391 HydrophobicContact CD1-CG1 3.81Å; L61-V391 HydrophobicContact CD2-CG1 4.33Å; L61-D393 HydrophobicContact CD2-CB 3.89Å; L61-Y572 HydrophobicContact CB-CE1 3.98Å; L61-Y572 PolarHBondContact O-OH 3Å
62	L	98.3	Very high	98.7	Very high	89 Å²	89	23.4 Å²	23.4	47%	0.466	13%	0.131	S	C	.	.	H	α-helix	trans	-64	-28.8	175.1	-79.8	169.5	0	0	0	112.9	K58 M60 G64 Y572	K58-L62 HydrophobicContact CD-CD1 4.29Å; K58-L62 HydrophobicContact CG-CD1 4.25Å; K58-L62 HydrophobicContact CG-CG 4.48Å; K58-L62 PolarHBondContact O-N 2.95Å; M60-L62 PolarHBondContact O-N 3.34Å; L62-G64 PolarHBondContact O-N 3.15Å; L62-Y572 HydrophobicContact CB-CE1 4.38Å; L62-Y572 HydrophobicContact CD1-CD1 4.47Å; L62-Y572 HydrophobicContact CD2-CD1 3.41Å; L62-Y572 VanDerWaalsContact CD2-CD1 3.41Å; L62-Y572 HydrophobicContact CD2-CD2 3.73Å; L62-Y572 HydrophobicContact CD2-CE1 3.54Å; L62-Y572 HydrophobicContact CD2-CE2 3.86Å; L62-Y572 HydrophobicContact CD2-CG 3.51Å; L62-Y572 HydrophobicContact CG-CD1 3.62Å; L62-Y572 HydrophobicContact CG-CE1 3.6Å; L62-Y572 HydrophobicContact CG-CG 4.22Å
63	Q	98.2	Very high	98.7	Very high	95 Å²	95	20 Å²	20	44%	0.444	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	9.2	176.7	-71.8	170.4	83.3	0	0	113	N59 M60 L61 L156	N59-Q63 WeakPolarHBondContact O-CG 3.47Å; N59-Q63 PolarHBondContact O-N 3.37Å; N59-Q63 PolarHBondContact O-NE2 2.9Å; M60-Q63 PolarHBondContact O-N 3.49Å; M60-Q63 VanDerWaalsContact O-N 3.17Å; L61-Q63 PolarHBondContact O-N 3.44Å; Q63-L156 HydrophobicContact CB-CD1 4.42Å; Q63-L156 HydrophobicContact CB-CD2 4.38Å
64	G	98	Very high	98.7	Very high	47 Å²	47	20 Å²	20	49%	0.485	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	11.9	-178.2	0	0	0	0	0	114.4	L61 L62 K155	L61-G64 PolarHBondContact O-N 3.28Å; L61-G64 VanDerWaalsContact O-N 3.15Å; L62-G64 PolarHBondContact O-N 3.15Å; G64-K155 WeakPolarHBondContact O-CD 3.29Å
65	G	98.7	Very high	98.7	Very high	6 Å²	6	20.1 Å²	20.1	6%	0.062	11%	0.113	C	C	.	.			trans	-67.7	159	173	0	0	0	0	0	113.4	M60 D69	M60-G65 WeakPolarHBondContact O-CA 3.44Å; M60-G65 PolarHBondContact O-N 3.37Å; G65-D69 WeakPolarHBondContact CA-OD2 3.44Å
66	S	98.8	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.			trans	-80.1	168.4	172.8	66.3	0	0	0	0	112.4	L61 V68 D69 G70 Y153 D393	L61-S66 VanDerWaalsContact CD2-C 3.49Å; L61-S66 WeakPolarHBondContact CD2-O 3.37Å; S66-V68 PolarHBondContact O-N 3.27Å; S66-V68 PolarHBondContact OG-N 3.17Å; S66-D69 WeakPolarHBondContact CB-OD2 3.43Å; S66-D69 PolarHBondContact N-OD2 2.95Å; S66-D69 WeakPolarHBondContact O-CB 3.48Å; S66-D69 PolarHBondContact O-N 3.04Å; S66-D69 VanDerWaalsContact OG-CG 3.23Å; S66-D69 PolarHBondContact OG-N 3.01Å; S66-D69 PolarHBondContact OG-OD2 3.25Å; S66-G70 PolarHBondContact O-N 3.38Å; S66-Y153 WeakPolarHBondContact CB-O 3.3Å; S66-Y153 PolarHBondContact OG-O 3.47Å; S66-D393 VanDerWaalsContact CA-OD2 3.31Å; S66-D393 WeakPolarHBondContact CA-OD2 3.48Å
67	A	98.8	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.8	-31.3	170.8	0	0	0	0	0	112.3	A71 V391 D393 L397 V399	A67-A71 VanDerWaalsContact O-CB 3.29Å; A67-A71 WeakPolarHBondContact O-CB 3.46Å; A67-A71 PolarHBondContact O-N 2.82Å; A67-V391 HydrophobicContact CB-CB 4.2Å; A67-V391 HydrophobicContact CB-CG1 3.78Å; A67-D393 HydrophobicContact CB-CB 3.89Å; A67-D393 PolarHBondContact N-OD2 2.74Å; A67-L397 HydrophobicContact CB-CB 4.02Å; A67-L397 HydrophobicContact CB-CD2 3.99Å; A67-L397 HydrophobicContact CB-CG 3.98Å; A67-L397 VanDerWaalsContact CB-O 3.28Å; A67-L397 WeakPolarHBondContact CB-O 3.41Å; A67-V399 HydrophobicContact CB-CG2 3.8Å
68	V	98.9	Very high	98.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-69.9	-42.3	174.7	163.1	0	0	0	0	111.7	S66 G70 A71 I72 L149 Y153 L397 V399	S66-V68 PolarHBondContact O-N 3.27Å; S66-V68 PolarHBondContact OG-N 3.17Å; V68-G70 VanDerWaalsContact C-N 3.34Å; V68-G70 PolarHBondContact O-N 2.85Å; V68-A71 PolarHBondContact O-N 2.89Å; V68-I72 HydrophobicContact CG1-CD1 3.69Å; V68-I72 HydrophobicContact CG1-CG1 4.39Å; V68-I72 WeakPolarHBondContact O-CG1 3.32Å; V68-I72 PolarHBondContact O-N 3.13Å; V68-L149 HydrophobicContact CG1-CB 3.81Å; V68-Y153 HydrophobicContact CG2-CD2 4Å; V68-Y153 HydrophobicContact CG2-CG 4.16Å; V68-L397 HydrophobicContact CG2-CD2 4.15Å; V68-V399 HydrophobicContact CG2-CG2 3.7Å
69	D	98.9	Very high	98.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.4	-45.6	175.2	-63.2	-50.9	0	0	0	111	M60 G65 S66 A73 H150 G154 K155 L156 L161	M60-D69 HydrophobicContact CB-CB 4.5Å; G65-D69 WeakPolarHBondContact CA-OD2 3.44Å; S66-D69 WeakPolarHBondContact CB-OD2 3.43Å; S66-D69 PolarHBondContact N-OD2 2.95Å; S66-D69 WeakPolarHBondContact O-CB 3.48Å; S66-D69 PolarHBondContact O-N 3.04Å; S66-D69 VanDerWaalsContact OG-CG 3.23Å; S66-D69 PolarHBondContact OG-N 3.01Å; S66-D69 PolarHBondContact OG-OD2 3.25Å; D69-A73 WeakPolarHBondContact O-CB 3.4Å; D69-A73 PolarHBondContact O-N 3.2Å; D69-H150 IonicContact OD1-CD2 3.92Å; D69-H150 PolarHBondContact OD1-CD2 2.95Å; D69-H150 IonicContact OD1-NE2 2.59Å; D69-G154 WeakPolarHBondContact OD1-CA 3.41Å; D69-K155 PolarHBondContact OD1-N 3.35Å; D69-K155 PolarHBondContact OD2-N 3.04Å; D69-L156 HydrophobicContact CB-CD1 4.48Å; D69-L156 PolarHBondContact OD2-N 3Å; D69-L161 HydrophobicContact CB-CD2 3.66Å
70	G	98.9	Very high	98.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62	-42.4	175.8	0	0	0	0	0	112.9	G57 S66 V68 A74	G57-G70 WeakPolarHBondContact CA-O 3.27Å; S66-G70 PolarHBondContact O-N 3.38Å; V68-G70 VanDerWaalsContact C-N 3.34Å; V68-G70 PolarHBondContact O-N 2.85Å; G70-A74 WeakPolarHBondContact O-CB 3.24Å; G70-A74 PolarHBondContact O-N 2.95Å
71	A	98.9	Very high	98.5	Very high	4 Å²	4	12.8 Å²	12.8	3%	0.033	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-46.7	178.5	0	0	0	0	0	112.2	A67 V68 A74 L75 V391 V399	A67-A71 VanDerWaalsContact O-CB 3.29Å; A67-A71 WeakPolarHBondContact O-CB 3.46Å; A67-A71 PolarHBondContact O-N 2.82Å; V68-A71 PolarHBondContact O-N 2.89Å; A71-A74 PolarHBondContact O-N 3.12Å; A71-L75 WeakPolarHBondContact O-CB 3.48Å; A71-L75 VanDerWaalsContact O-CG 3.27Å; A71-L75 WeakPolarHBondContact O-CG 3.45Å; A71-L75 PolarHBondContact O-N 2.77Å; A71-V391 HydrophobicContact CB-CG2 3.83Å; A71-V399 HydrophobicContact CB-CB 4.37Å; A71-V399 HydrophobicContact CB-CG1 3.83Å
72	I	98.9	Very high	98.4	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-46.6	179	-68.9	168.2	0	0	0	110.4	V68 A74 L75 L76 Y146 L149 H150 W158 L161	V68-I72 HydrophobicContact CG1-CD1 3.69Å; V68-I72 HydrophobicContact CG1-CG1 4.39Å; V68-I72 WeakPolarHBondContact O-CG1 3.32Å; V68-I72 PolarHBondContact O-N 3.13Å; I72-A74 PolarHBondContact O-N 3.43Å; I72-L75 PolarHBondContact O-N 2.95Å; I72-L76 HydrophobicContact CG2-CD1 3.81Å; I72-L76 HydrophobicContact CG2-CG 4.29Å; I72-L76 WeakPolarHBondContact O-CB 3.31Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.42Å; I72-L76 PolarHBondContact O-N 2.74Å; I72-Y146 WeakPolarHBondContact CD1-O 3.36Å; I72-Y146 HydrophobicContact CG1-CD1 4.07Å; I72-Y146 HydrophobicContact CG1-CG 4.15Å; I72-Y146 HydrophobicContact CG2-CD2 4.21Å; I72-Y146 HydrophobicContact CG2-CG 4.14Å; I72-L149 HydrophobicContact CD1-CB 4.41Å; I72-H150 HydrophobicContact CD1-CB 4Å; I72-W158 HydrophobicContact CD1-CZ3 4.45Å; I72-L161 HydrophobicContact CB-CD1 4.06Å; I72-L161 HydrophobicContact CD1-CD1 4.18Å; I72-L161 HydrophobicContact CG2-CB 4.25Å; I72-L161 HydrophobicContact CG2-CD1 3.84Å
73	A	98.9	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.4	-39.8	179	0	0	0	0	0	112.5	I56 M60 D69 C77	I56-A73 HydrophobicContact CG2-CB 3.91Å; M60-A73 HydrophobicContact CG-CB 3.51Å; M60-A73 HydrophobicContact SD-CB 4.46Å; D69-A73 WeakPolarHBondContact O-CB 3.4Å; D69-A73 PolarHBondContact O-N 3.2Å; A73-C77 WeakPolarHBondContact O-CB 3.36Å; A73-C77 PolarHBondContact O-N 2.95Å
74	A	98.9	Very high	98.1	Very high	0 Å²	0	4 Å²	4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.6	-40.5	175.5	0	0	0	0	0	112.4	V46 C53 G70 A71 I72 C77 T78 V389	V46-A74 HydrophobicContact CG1-CB 4.4Å; C53-A74 WeakPolarHBondContact O-CB 3.23Å; G70-A74 WeakPolarHBondContact O-CB 3.24Å; G70-A74 PolarHBondContact O-N 2.95Å; A71-A74 PolarHBondContact O-N 3.12Å; I72-A74 PolarHBondContact O-N 3.43Å; A74-C77 PolarHBondContact O-N 2.99Å; A74-T78 WeakPolarHBondContact O-CB 3.33Å; A74-T78 PolarHBondContact O-N 2.91Å; A74-T78 PolarHBondContact O-OG1 3.01Å; A74-V389 HydrophobicContact CB-CG1 4.06Å; A74-V389 HydrophobicContact CB-CG2 4.33Å
75	L	98.8	Very high	98	Very high	3 Å²	3	1.9 Å²	1.9	2%	0.016	1%	0.013	C	C	.	.	H	α-helix	trans	-69.4	-41.4	177.2	-70.9	168.5	0	0	0	112.1	A71 I72 C77 T78 S79 M86 Y146 T387 V389 A401	A71-L75 WeakPolarHBondContact O-CB 3.48Å; A71-L75 VanDerWaalsContact O-CG 3.27Å; A71-L75 WeakPolarHBondContact O-CG 3.45Å; A71-L75 PolarHBondContact O-N 2.77Å; I72-L75 PolarHBondContact O-N 2.95Å; L75-C77 PolarHBondContact O-N 3.06Å; L75-T78 WeakPolarHBondContact O-CB 3.16Å; L75-T78 PolarHBondContact O-N 2.92Å; L75-T78 VanDerWaalsContact O-N 3.13Å; L75-S79 PolarHBondContact O-N 3.3Å; L75-S79 VanDerWaalsContact O-N 3.14Å; L75-S79 PolarHBondContact O-OG 2.88Å; L75-M86 HydrophobicContact CB-CE 4Å; L75-M86 HydrophobicContact CD2-CE 4.02Å; L75-M86 WeakPolarHBondContact O-CE 3.49Å; L75-Y146 HydrophobicContact CB-CE1 4.47Å; L75-Y146 WeakPolarHBondContact CB-OH 3.47Å; L75-Y146 HydrophobicContact CD1-CE1 3.79Å; L75-T387 HydrophobicContact CD2-CG2 3.82Å; L75-V389 HydrophobicContact CD2-CB 4.25Å; L75-V389 HydrophobicContact CD2-CG2 3.64Å; L75-V389 HydrophobicContact CG-CB 4.43Å; L75-V389 HydrophobicContact CG-CG2 4.02Å; L75-A401 HydrophobicContact CD1-CB 4.09Å
76	L	98.9	Very high	97.9	Very high	1 Å²	1	1.6 Å²	1.6	1%	0.005	1%	0.01	C	C	.	.	H	α-helix	trans	-58.8	-46.9	172.3	-72.7	169.6	0	0	0	110.8	I72 T78 S79 I88 Y146 F162 T165 L224	I72-L76 HydrophobicContact CG2-CD1 3.81Å; I72-L76 HydrophobicContact CG2-CG 4.29Å; I72-L76 WeakPolarHBondContact O-CB 3.31Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.42Å; I72-L76 PolarHBondContact O-N 2.74Å; L76-T78 VanDerWaalsContact C-N 3.26Å; L76-T78 PolarHBondContact O-N 3.34Å; L76-S79 WeakPolarHBondContact O-CB 3.31Å; L76-S79 PolarHBondContact O-N 3.1Å; L76-S79 VanDerWaalsContact O-N 3.1Å; L76-S79 PolarHBondContact O-OG 2.77Å; L76-I88 HydrophobicContact CD2-CG2 4.18Å; L76-Y146 HydrophobicContact CD2-CD2 4.39Å; L76-Y146 HydrophobicContact CD2-CE2 4.14Å; L76-Y146 HydrophobicContact CG-CE2 4.39Å; L76-F162 HydrophobicContact CD1-CD1 3.76Å; L76-F162 HydrophobicContact CD1-CD2 3.99Å; L76-F162 HydrophobicContact CD1-CE1 3.75Å; L76-F162 HydrophobicContact CD1-CE2 3.97Å; L76-F162 HydrophobicContact CD1-CG 3.86Å; L76-F162 HydrophobicContact CD1-CZ 3.84Å; L76-F162 HydrophobicContact CD2-CD1 4.12Å; L76-F162 HydrophobicContact CD2-CE1 3.73Å; L76-F162 HydrophobicContact CD2-CZ 4.3Å; L76-F162 HydrophobicContact CG-CE1 4.43Å; L76-T165 HydrophobicContact CB-CG2 4.23Å; L76-T165 WeakPolarHBondContact O-CG2 3.25Å; L76-L224 HydrophobicContact CD2-CD2 4.1Å
77	C	98.8	Very high	97.8	Very high	0 Å²	0	2 Å²	2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-56.9	-42.3	174.4	166.3	0	0	0	0	111.7	C53 I56 A73 A74 L75 S79 V80 V81 T165	C53-C77 WeakPolarHBondContact CA-SG 3.36Å; C53-C77 HydrophobicContact CB-CB 3.74Å; C53-C77 WeakPolarHBondContact CB-SG 3.32Å; C53-C77 WeakPolarHBondContact SG-CB 3.49Å; C53-C77 CovalentContact SG-SG 2.06Å; C53-C77 PolarHBondContact SG-SG 3.48Å; I56-C77 HydrophobicContact CD1-CB 3.91Å; I56-C77 HydrophobicContact CG2-CB 4.41Å; A73-C77 WeakPolarHBondContact O-CB 3.36Å; A73-C77 PolarHBondContact O-N 2.95Å; A74-C77 PolarHBondContact O-N 2.99Å; L75-C77 PolarHBondContact O-N 3.06Å; C77-S79 PolarHBondContact O-N 3.23Å; C77-V80 PolarHBondContact O-N 3.05Å; C77-V81 PolarHBondContact O-N 3.29Å; C77-T165 WeakPolarHBondContact CA-OG1 3.47Å; C77-T165 PolarHBondContact N-OG1 3.02Å; C77-T165 VanDerWaalsContact N-OG1 3.11Å
78	T	98	Very high	97.8	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-63.2	-26.9	-179.1	-57	0	0	0	0	111.9	C53 A74 L75 L76 V80 V81 N82 M86 T387	C53-T78 PolarHBondContact SG-N 3.31Å; A74-T78 WeakPolarHBondContact O-CB 3.33Å; A74-T78 PolarHBondContact O-N 2.91Å; A74-T78 PolarHBondContact O-OG1 3.01Å; L75-T78 WeakPolarHBondContact O-CB 3.16Å; L75-T78 PolarHBondContact O-N 2.92Å; L75-T78 VanDerWaalsContact O-N 3.13Å; L76-T78 VanDerWaalsContact C-N 3.26Å; L76-T78 PolarHBondContact O-N 3.34Å; T78-V80 PolarHBondContact O-N 3.46Å; T78-V80 VanDerWaalsContact O-N 3.16Å; T78-V81 PolarHBondContact O-N 3.19Å; T78-N82 HydrophobicContact CG2-CB 3.92Å; T78-N82 CarbonylContact O-C 3.5Å; T78-N82 VanDerWaalsContact O-C 3.26Å; T78-N82 WeakPolarHBondContact O-CA 3.35Å; T78-N82 PolarHBondContact O-N 2.88Å; T78-M86 HydrophobicContact CG2-CG 3.66Å; T78-M86 HydrophobicContact CG2-SD 3.91Å; T78-T387 HydrophobicContact CG2-CG2 4.08Å
79	S	97.4	Very high	97.8	Very high	8 Å²	8	2.2 Å²	2.2	6%	0.056	2%	0.016	C	C	.	.	H	α-helix	trans	-62.9	-19.3	174.4	-54.3	0	0	0	0	113.4	L75 L76 C77 P83 M86	L75-S79 PolarHBondContact O-N 3.3Å; L75-S79 VanDerWaalsContact O-N 3.14Å; L75-S79 PolarHBondContact O-OG 2.88Å; L76-S79 WeakPolarHBondContact O-CB 3.31Å; L76-S79 PolarHBondContact O-N 3.1Å; L76-S79 VanDerWaalsContact O-N 3.1Å; L76-S79 PolarHBondContact O-OG 2.77Å; C77-S79 PolarHBondContact O-N 3.23Å; S79-P83 WeakPolarHBondContact O-CB 3.4Å; S79-M86 PolarHBondContact N-SD 3.42Å; S79-M86 PolarHBondContact OG-SD 2.98Å; S79-M86 VanDerWaalsContact OG-SD 3.32Å
80	V	97.9	Very high	97.7	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-106.4	-35.6	177.5	177.9	0	0	0	0	111.6	C77 T78 P83 T165 L168 A169 I173 F217 L220	C77-V80 PolarHBondContact O-N 3.05Å; T78-V80 PolarHBondContact O-N 3.46Å; T78-V80 VanDerWaalsContact O-N 3.16Å; V80-P83 WeakPolarHBondContact O-CD 3.4Å; V80-T165 HydrophobicContact CG2-CG2 3.78Å; V80-L168 HydrophobicContact CG1-CB 4.41Å; V80-A169 HydrophobicContact CG2-CB 4.01Å; V80-I173 HydrophobicContact CG1-CD1 4.02Å; V80-I173 HydrophobicContact CG1-CG1 4.46Å; V80-F217 HydrophobicContact CG1-CD2 3.95Å; V80-F217 HydrophobicContact CG1-CE2 4.18Å; V80-L220 HydrophobicContact CG2-CD2 4.26Å
81	V	97.3	Very high	97.7	Very high	9 Å²	9	2.2 Å²	2.2	6%	0.055	2%	0.016	C	C	.	.	H	α-helix	trans	-82.9	-39.4	-176.7	178.1	0	0	0	0	112.6	L52 C77 T78 I173 P176	L52-V81 HydrophobicContact CD2-CG2 3.89Å; C77-V81 PolarHBondContact O-N 3.29Å; T78-V81 PolarHBondContact O-N 3.19Å; V81-I173 HydrophobicContact CG2-CD1 4.09Å; V81-P176 HydrophobicContact CG1-CB 4.28Å; V81-P176 HydrophobicContact CG1-CG 4.12Å; V81-P176 WeakPolarHBondContact O-CG 3.32Å
82	N	95.8	Very high	97.7	Very high	3 Å²	3	2 Å²	2	2%	0.016	1%	0.014	C	C	.	.	S	Bend	trans	-127	57.3	176	-69.1	-37.2	0	0	0	111	T78 Q84 S85	T78-N82 HydrophobicContact CG2-CB 3.92Å; T78-N82 CarbonylContact O-C 3.5Å; T78-N82 VanDerWaalsContact O-C 3.26Å; T78-N82 WeakPolarHBondContact O-CA 3.35Å; T78-N82 PolarHBondContact O-N 2.88Å; N82-Q84 PolarHBondContact O-N 3.4Å; N82-Q84 VanDerWaalsContact O-N 3.1Å; N82-Q84 PolarHBondContact O-OE1 3.36Å; N82-S85 WeakPolarHBondContact O-CB 3.44Å; N82-S85 PolarHBondContact O-N 3.45Å
83	P	96.5	Very high	97.6	Very high	1 Å²	1	2 Å²	2	1%	0.006	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20	-175.3	29.5	-38.3	0	0	0	113.3	S79 V80 S85 L179 F201 L215 F217 I405 I421	S79-P83 WeakPolarHBondContact O-CB 3.4Å; V80-P83 WeakPolarHBondContact O-CD 3.4Å; P83-S85 PolarHBondContact O-N 3.29Å; P83-L179 HydrophobicContact CG-CD2 3.92Å; P83-F201 HydrophobicContact CB-CZ 3.97Å; P83-F201 HydrophobicContact CG-CE1 3.73Å; P83-F201 HydrophobicContact CG-CZ 3.65Å; P83-L215 HydrophobicContact CG-CD2 4.5Å; P83-F217 HydrophobicContact CB-CE1 4.42Å; P83-F217 HydrophobicContact CB-CZ 3.76Å; P83-F217 HydrophobicContact CG-CE2 4.44Å; P83-F217 HydrophobicContact CG-CZ 3.86Å; P83-I405 WeakPolarHBondContact O-CD1 3.38Å; P83-I421 HydrophobicContact CB-CD1 4Å
84	Q	94.7	Very high	97.6	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.2	173.4	77.5	-73.7	7.9	0	0	113	N82 L179 F182 L408 F409	N82-Q84 PolarHBondContact O-N 3.4Å; N82-Q84 VanDerWaalsContact O-N 3.1Å; N82-Q84 PolarHBondContact O-OE1 3.36Å; Q84-L179 HydrophobicContact CB-CD1 4.19Å; Q84-L179 HydrophobicContact CG-CD1 4.24Å; Q84-F182 HydrophobicContact CG-CD2 4.43Å; Q84-L408 HydrophobicContact CB-CD2 4.31Å; Q84-L408 HydrophobicContact CG-CD2 3.89Å; Q84-L408 VanDerWaalsContact O-CA 3.27Å; Q84-L408 WeakPolarHBondContact O-CA 3.25Å; Q84-F409 HydrophobicContact CB-CD1 3.8Å; Q84-F409 HydrophobicContact CB-CD2 3.97Å; Q84-F409 HydrophobicContact CB-CE1 3.53Å; Q84-F409 HydrophobicContact CB-CE2 3.7Å; Q84-F409 HydrophobicContact CB-CG 4.02Å; Q84-F409 HydrophobicContact CB-CZ 3.49Å; Q84-F409 VanDerWaalsContact CB-CZ 3.49Å; Q84-F409 PolarHBondContact O-N 3.4Å
85	S	94.9	Very high	97.6	Very high	1 Å²	1	2.1 Å²	2.1	1%	0.007	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-36.7	-172.3	-63	0	0	0	0	113.6	N82 P83 T386 T404 I405	N82-S85 WeakPolarHBondContact O-CB 3.44Å; N82-S85 PolarHBondContact O-N 3.45Å; P83-S85 PolarHBondContact O-N 3.29Å; S85-T386 WeakPolarHBondContact CB-O 3.24Å; S85-T386 WeakPolarHBondContact O-CA 3.4Å; S85-T386 PolarHBondContact O-N 2.82Å; S85-T404 WeakPolarHBondContact O-CA 3.33Å; S85-I405 PolarHBondContact O-N 3.33Å
86	M	96.1	Very high	97.6	Very high	1 Å²	1	2 Å²	2	1%	0.005	1%	0.014	C	C	.	.			trans	-158.8	165.7	-175.6	68.7	86.2	57.3	0	0	111	L75 T78 S79 T387 S403	L75-M86 HydrophobicContact CB-CE 4Å; L75-M86 HydrophobicContact CD2-CE 4.02Å; L75-M86 WeakPolarHBondContact O-CE 3.49Å; T78-M86 HydrophobicContact CG2-CG 3.66Å; T78-M86 HydrophobicContact CG2-SD 3.91Å; S79-M86 PolarHBondContact N-SD 3.42Å; S79-M86 PolarHBondContact OG-SD 2.98Å; S79-M86 VanDerWaalsContact OG-SD 3.32Å; M86-T387 HydrophobicContact CB-CG2 4.06Å; M86-T387 HydrophobicContact CG-CG2 3.55Å; M86-S403 WeakPolarHBondContact CE-OG 2.96Å
87	G	97.6	Very high	97.6	Very high	9 Å²	9	3.9 Å²	3.9	9%	0.093	2%	0.021	C	C	.	.			trans	179.9	174.7	175.5	0	0	0	0	0	111.9	G89 G90	G87-G89 PolarHBondContact O-N 3.48Å; G87-G90 PolarHBondContact O-N 3.49Å
88	I	98.3	Very high	97.5	Very high	5 Å²	5	5.4 Å²	5.4	3%	0.026	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-7.7	178.8	63.4	166.4	0	0	0	114.2	L76 G90 L143 L220 T223 L224 I420	L76-I88 HydrophobicContact CD2-CG2 4.18Å; I88-G90 VanDerWaalsContact C-N 3.28Å; I88-L143 HydrophobicContact CB-CD1 4.43Å; I88-L143 HydrophobicContact CB-CD2 4.16Å; I88-L143 HydrophobicContact CB-CG 4.08Å; I88-L143 HydrophobicContact CD1-CD1 4.22Å; I88-L143 HydrophobicContact CG2-CD2 3.73Å; I88-L143 HydrophobicContact CG2-CG 4.21Å; I88-L220 HydrophobicContact CD1-CD1 3.65Å; I88-L220 HydrophobicContact CG1-CD1 4.03Å; I88-T223 HydrophobicContact CD1-CG2 3.95Å; I88-L224 HydrophobicContact CD1-CD2 4.11Å; I88-L224 HydrophobicContact CG2-CD2 4.27Å; I88-I420 HydrophobicContact CD1-CD1 3.65Å; I88-I420 HydrophobicContact CD1-CG1 3.73Å; I88-I420 HydrophobicContact CG1-CD1 3.98Å; I88-I420 HydrophobicContact CG1-CG1 3.87Å; I88-I420 HydrophobicContact CG1-CG2 4.38Å
89	G	98.3	Very high	97.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	11	170.1	0	0	0	0	0	114.2	G87 N423	G87-G89 PolarHBondContact O-N 3.48Å; G89-N423 PolarHBondContact O-N 2.67Å; G89-N423 PolarHBondContact O-ND2 3.16Å
90	G	98.3	Very high	97	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-117.9	-154.8	-173.8	0	0	0	0	0	115.8	G87 I88 E110 P140 G141 E142 T404	G87-G90 PolarHBondContact O-N 3.49Å; I88-G90 VanDerWaalsContact C-N 3.28Å; G90-E110 VanDerWaalsContact C-CD 3.44Å; G90-E110 WeakPolarHBondContact CA-OE1 3.08Å; G90-P140 WeakPolarHBondContact O-CA 3.43Å; G90-G141 PolarHBondContact O-N 2.9Å; G90-E142 PolarHBondContact O-N 2.9Å; G90-E142 VanDerWaalsContact O-OE2 3.07Å; G90-T404 VanDerWaalsContact CA-O 3.27Å; G90-T404 WeakPolarHBondContact CA-O 3.25Å
91	G	98.3	Very high	96.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.1	-177.3	0	0	0	0	0	113.2	F108 E110 E142 T404	G91-F108 WeakPolarHBondContact CA-O 3.26Å; G91-E110 VanDerWaalsContact CA-CD 3.47Å; G91-E110 VanDerWaalsContact CA-OE2 3.23Å; G91-E110 WeakPolarHBondContact CA-OE2 3.26Å; G91-E110 PolarHBondContact N-OE1 2.81Å; G91-E110 PolarHBondContact N-OE2 2.88Å; G91-E142 VanDerWaalsContact CA-CD 3.45Å; G91-E142 WeakPolarHBondContact CA-OE2 3.4Å; G91-E142 VanDerWaalsContact N-CD 3.35Å; G91-E142 PolarHBondContact N-OE1 3.5Å; G91-E142 PolarHBondContact N-OE2 3.41Å; G91-T404 PolarHBondContact N-O 3.25Å; G91-T404 PolarHBondContact O-N 3.16Å
92	S	98.1	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159.9	171	-44.4	0	0	0	0	114.5	F108 R109 E142 T402 S403	S92-F108 PolarHBondContact N-O 2.81Å; S92-F108 CarbonylContact O-C 3.58Å; S92-F108 VanDerWaalsContact O-C 3.28Å; S92-F108 PolarHBondContact O-N 3.5Å; S92-F108 VanDerWaalsContact OG-CE2 3.31Å; S92-F108 WeakPolarHBondContact OG-CE2 3.41Å; S92-R109 PolarHBondContact O-N 3.26Å; S92-E142 PolarHBondContact N-OE1 3.45Å; S92-E142 PolarHBondContact N-OE2 2.82Å; S92-E142 VanDerWaalsContact OG-CD 3.24Å; S92-E142 PolarHBondContact OG-OE1 3.03Å; S92-T402 VanDerWaalsContact CA-O 3.27Å; S92-T402 WeakPolarHBondContact CA-O 3.49Å; S92-T402 VanDerWaalsContact CB-O 3.23Å; S92-T402 WeakPolarHBondContact CB-O 3.5Å; S92-S403 WeakPolarHBondContact OG-CA 3.4Å; S92-S403 WeakPolarHBondContact OG-CB 3.43Å; S92-S403 PolarHBondContact OG-OG 3.47Å
93	I	98.6	Very high	97	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.6	164.1	-59.5	177.1	0	0	0	108	V105 A284 T402 M458 P460	I93-V105 HydrophobicContact CG2-CG1 4.02Å; I93-A284 HydrophobicContact CG2-CB 3.51Å; I93-T402 PolarHBondContact N-O 3.15Å; I93-T402 PolarHBondContact O-N 3.33Å; I93-M458 HydrophobicContact CB-CE 4.24Å; I93-M458 HydrophobicContact CD1-CE 3.68Å; I93-M458 HydrophobicContact CG1-CE 3.61Å; I93-P460 HydrophobicContact CB-CG 4.14Å; I93-P460 HydrophobicContact CG2-CG 3.77Å; I93-P460 WeakPolarHBondContact O-CG 3.17Å
94	V	98.8	Very high	97.1	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.1	-173.9	-174.9	0	0	0	0	110.1	V96 V105 Y106 F108 L149 V399 S400 A401	V94-V96 HydrophobicContact CG1-CG2 3.78Å; V94-V105 CarbonylContact O-C 3.58Å; V94-V105 WeakPolarHBondContact O-CA 3.36Å; V94-Y106 PolarHBondContact N-O 3.22Å; V94-Y106 PolarHBondContact O-N 3.33Å; V94-F108 HydrophobicContact CB-CE1 4.41Å; V94-F108 HydrophobicContact CG2-CE1 3.65Å; V94-F108 HydrophobicContact CG2-CZ 3.58Å; V94-L149 HydrophobicContact CB-CD1 4.33Å; V94-L149 HydrophobicContact CG1-CD1 4.2Å; V94-L149 HydrophobicContact CG1-CD2 4.43Å; V94-L149 HydrophobicContact CG2-CD1 4.07Å; V94-V399 HydrophobicContact CG1-CG1 3.68Å; V94-S400 CarbonylContact C-O 3.29Å; V94-S400 WeakPolarHBondContact CA-O 3.5Å; V94-A401 HydrophobicContact CG1-CB 4.16Å; V94-A401 HydrophobicContact CG2-CB 3.91Å
95	V	98.9	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.5	170.2	-175.3	0	0	0	0	108.2	V103 V105 A284 S400 P460 I462	V95-V103 HydrophobicContact CG1-CG1 3.55Å; V95-V105 HydrophobicContact CG2-CG2 4.32Å; V95-A284 HydrophobicContact CG2-CB 4.46Å; V95-S400 PolarHBondContact N-O 2.74Å; V95-S400 PolarHBondContact O-N 2.78Å; V95-P460 HydrophobicContact CG2-CB 4.01Å; V95-P460 HydrophobicContact CG2-CG 4.01Å; V95-P460 WeakPolarHBondContact CG2-O 3.31Å; V95-I462 HydrophobicContact CG1-CB 4.49Å; V95-I462 HydrophobicContact CG1-CD1 4.04Å; V95-I462 HydrophobicContact CG1-CG1 4.05Å
96	V	98.9	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.4	-180	-176.6	0	0	0	0	109.1	V94 V103 K104 Y106 L149 Y153 L397 A398 V399	V94-V96 HydrophobicContact CG1-CG2 3.78Å; V96-V103 CarbonylContact O-C 3.54Å; V96-V103 VanDerWaalsContact O-CA 3.24Å; V96-V103 WeakPolarHBondContact O-CA 3.09Å; V96-K104 PolarHBondContact N-O 2.86Å; V96-K104 PolarHBondContact O-N 2.81Å; V96-Y106 HydrophobicContact CG2-CD2 4.15Å; V96-Y106 HydrophobicContact CG2-CE2 4.3Å; V96-L149 HydrophobicContact CG2-CD2 3.85Å; V96-Y153 HydrophobicContact CB-CE2 4.32Å; V96-Y153 HydrophobicContact CG1-CD2 4.17Å; V96-Y153 HydrophobicContact CG1-CE2 3.82Å; V96-L397 HydrophobicContact CG1-CD1 3.7Å; V96-L397 HydrophobicContact CG1-CG 4.41Å; V96-A398 CarbonylContact C-O 3.47Å; V96-A398 WeakPolarHBondContact CA-O 3.37Å; V96-V399 HydrophobicContact CG1-CG2 4.38Å; V96-V399 HydrophobicContact CG2-CG2 4.33Å
97	R	98.5	Very high	97.5	Very high	41 Å²	41	27.1 Å²	27.1	16%	0.155	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.2	169.4	-179.7	179.6	-175.2	-79.7	4.8	109.1	N102 V103 L397 A398 I462 E464	R97-N102 WeakPolarHBondContact CA-O 3.35Å; R97-V103 HydrophobicContact CB-CG2 3.86Å; R97-V103 HydrophobicContact CG-CG2 3.81Å; R97-L397 WeakPolarHBondContact O-CA 3.39Å; R97-A398 HydrophobicContact CB-CB 4.32Å; R97-A398 PolarHBondContact N-O 3.42Å; R97-A398 PolarHBondContact O-N 2.93Å; R97-I462 HydrophobicContact CB-CD1 3.48Å; R97-I462 VanDerWaalsContact CB-CD1 3.48Å; R97-I462 HydrophobicContact CB-CG2 4.23Å; R97-E464 IonicContact CZ-OE1 2.77Å; R97-E464 IonicContact NE-OE1 2.79Å; R97-E464 PolarHBondContact NE-OE1 3.22Å; R97-E464 IonicContact NH2-OE1 3.49Å; R97-E464 PolarHBondContact NH2-OE1 2.86Å
98	N	96.4	Very high	97.5	Very high	32 Å²	32	26.7 Å²	26.7	17%	0.171	14%	0.137	C	C	.	.			trans	-84.2	172.6	176.5	78.9	10.2	0	0	0	112.3	T100 G101 N102 Y153 L397	N98-T100 VanDerWaalsContact CG-OG1 3.26Å; N98-T100 PolarHBondContact ND2-OG1 3.34Å; N98-T100 PolarHBondContact O-N 2.95Å; N98-T100 VanDerWaalsContact O-N 3.12Å; N98-T100 WeakPolarHBondContact OD1-CA 3.31Å; N98-T100 PolarHBondContact OD1-N 3.3Å; N98-T100 PolarHBondContact OD1-OG1 2.65Å; N98-G101 PolarHBondContact O-N 2.87Å; N98-G101 PolarHBondContact OD1-N 3.27Å; N98-N102 PolarHBondContact N-O 3.25Å; N98-N102 PolarHBondContact OD1-N 3.41Å; N98-N102 PolarHBondContact OD1-O 2.93Å; N98-Y153 HydrophobicContact CB-CE1 4.5Å; N98-L397 HydrophobicContact CB-CD1 4.07Å
99	K	91.4	Very high	97.4	Very high	162 Å²	162	26.6 Å²	26.6	70%	0.704	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.8	179.8	68.6	-179.8	179.9	-179.5	0	115.1	G101 D395	K99-G101 VanDerWaalsContact C-N 3.29Å; K99-D395 WeakPolarHBondContact CB-O 3.43Å
100	T	93.8	Very high	97.4	Very high	95 Å²	95	26.6 Å²	26.6	58%	0.583	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.5	176.6	62.1	0	0	0	0	113	N98 N102	N98-T100 VanDerWaalsContact CG-OG1 3.26Å; N98-T100 PolarHBondContact ND2-OG1 3.34Å; N98-T100 PolarHBondContact O-N 2.95Å; N98-T100 VanDerWaalsContact O-N 3.12Å; N98-T100 WeakPolarHBondContact OD1-CA 3.31Å; N98-T100 PolarHBondContact OD1-N 3.3Å; N98-T100 PolarHBondContact OD1-OG1 2.65Å; T100-N102 VanDerWaalsContact C-N 3.35Å; T100-N102 PolarHBondContact OG1-ND2 2.7Å
101	G	94.7	Very high	97.2	Very high	18 Å²	18	27 Å²	27	19%	0.186	14%	0.139	C	C	.	.	S	Bend	trans	87.3	-0.7	-175.1	0	0	0	0	0	114.5	N98 K99 V103	N98-G101 PolarHBondContact O-N 2.87Å; N98-G101 PolarHBondContact OD1-N 3.27Å; K99-G101 VanDerWaalsContact C-N 3.29Å; G101-V103 PolarHBondContact O-N 2.89Å
102	N	97.1	Very high	97	Very high	103 Å²	103	27.1 Å²	27.1	55%	0.551	14%	0.14	S	C	*	.			trans	-71.3	131.9	174.8	-67.6	-23	0	0	0	109.7	R97 N98 T100	R97-N102 WeakPolarHBondContact CA-O 3.35Å; N98-N102 PolarHBondContact N-O 3.25Å; N98-N102 PolarHBondContact OD1-N 3.41Å; N98-N102 PolarHBondContact OD1-O 2.93Å; T100-N102 VanDerWaalsContact C-N 3.35Å; T100-N102 PolarHBondContact OG1-ND2 2.7Å
103	V	98.5	Very high	96.7	Very high	19 Å²	19	27.1 Å²	27.1	12%	0.115	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.9	-179.4	-177.4	0	0	0	0	109.8	V95 V96 R97 G101 P271 H282	V95-V103 HydrophobicContact CG1-CG1 3.55Å; V96-V103 CarbonylContact O-C 3.54Å; V96-V103 VanDerWaalsContact O-CA 3.24Å; V96-V103 WeakPolarHBondContact O-CA 3.09Å; R97-V103 HydrophobicContact CB-CG2 3.86Å; R97-V103 HydrophobicContact CG-CG2 3.81Å; G101-V103 PolarHBondContact O-N 2.89Å; V103-P271 HydrophobicContact CB-CG 3.86Å; V103-P271 HydrophobicContact CG1-CB 4.03Å; V103-P271 HydrophobicContact CG1-CG 3.75Å; V103-P271 VanDerWaalsContact O-CD 3.23Å; V103-P271 WeakPolarHBondContact O-CD 3.38Å; V103-H282 HydrophobicContact CB-CB 4.48Å; V103-H282 HydrophobicContact CG1-CB 3.92Å; V103-H282 HydrophobicContact CG2-CB 4.38Å
104	K	98.6	Very high	96.2	Very high	70 Å²	70	30.4 Å²	30.4	30%	0.304	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.7	173.7	-65.7	-172.2	-170	172.6	0	110.1	V96 Y106 E152 Y153 V268	V96-K104 PolarHBondContact N-O 2.86Å; V96-K104 PolarHBondContact O-N 2.81Å; K104-Y106 HydrophobicContact CB-CD2 4.41Å; K104-Y106 HydrophobicContact CB-CE2 3.79Å; K104-Y106 HydrophobicContact CD-CE2 4.32Å; K104-E152 IonicContact NZ-OE1 3.1Å; K104-E152 PolarHBondContact NZ-OE1 3.36Å; K104-Y153 WeakPolarHBondContact CD-OH 3.27Å; K104-V268 HydrophobicContact CD-CG1 4.34Å
105	V	98.7	Very high	95.5	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.4	173.2	-176.1	0	0	0	0	108.7	I93 V94 V95 V268 D269 P271 A284	I93-V105 HydrophobicContact CG2-CG1 4.02Å; V94-V105 CarbonylContact O-C 3.58Å; V94-V105 WeakPolarHBondContact O-CA 3.36Å; V95-V105 HydrophobicContact CG2-CG2 4.32Å; V105-V268 CarbonylContact O-C 3.56Å; V105-V268 VanDerWaalsContact O-CA 3.32Å; V105-V268 WeakPolarHBondContact O-CA 3.24Å; V105-D269 HydrophobicContact CB-CB 4.44Å; V105-D269 PolarHBondContact N-O 3.08Å; V105-D269 PolarHBondContact O-N 3.15Å; V105-P271 HydrophobicContact CG2-CB 3.84Å; V105-A284 HydrophobicContact CG1-CB 3.7Å; V105-A284 HydrophobicContact CG2-CB 4.46Å
106	Y	98.6	Very high	95	Very high	7 Å²	7	35.1 Å²	35.1	3%	0.027	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.6	171.5	-67.1	-106.5	0	0	0	107.4	V94 V96 K104 L149 Y153 V266 V268	V94-Y106 PolarHBondContact N-O 3.22Å; V94-Y106 PolarHBondContact O-N 3.33Å; V96-Y106 HydrophobicContact CG2-CD2 4.15Å; V96-Y106 HydrophobicContact CG2-CE2 4.3Å; K104-Y106 HydrophobicContact CB-CD2 4.41Å; K104-Y106 HydrophobicContact CB-CE2 3.79Å; K104-Y106 HydrophobicContact CD-CE2 4.32Å; Y106-L149 HydrophobicContact CD1-CD2 3.81Å; Y106-L149 HydrophobicContact CD1-CG 4.12Å; Y106-L149 HydrophobicContact CD2-CD2 3.51Å; Y106-L149 HydrophobicContact CE1-CD2 4.1Å; Y106-L149 HydrophobicContact CE2-CD2 3.84Å; Y106-L149 HydrophobicContact CG-CD2 3.51Å; Y106-L149 HydrophobicContact CG-CG 4.11Å; Y106-Y153 AromaticContact CE2-CE2 3.82Å; Y106-Y153 HydrophobicContact CE2-CE2 3.82Å; Y106-Y153 AromaticContact CZ-CE2 3.83Å; Y106-Y153 VanDerWaalsContact OH-CE2 3.31Å; Y106-Y153 WeakPolarHBondContact OH-CE2 3.45Å; Y106-V266 HydrophobicContact CD1-CG1 4.45Å; Y106-V268 HydrophobicContact CD1-CG1 4.5Å; Y106-V268 HydrophobicContact CD1-CG2 3.71Å; Y106-V268 HydrophobicContact CE1-CG1 4.21Å; Y106-V268 HydrophobicContact CE1-CG2 3.74Å; Y106-V268 HydrophobicContact CE2-CG1 4.46Å; Y106-V268 HydrophobicContact CG-CG2 4.47Å
107	N	97.6	Very high	94.4	Very high	5 Å²	5	39 Å²	39	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	103.6	179	177	1.5	0	0	0	108.8	R109 R267 Q453	N107-R109 WeakPolarHBondContact OD1-CB 3.48Å; N107-R109 PolarHBondContact OD1-N 3.3Å; N107-R267 HydrophobicContact CB-CB 4.34Å; N107-R267 PolarHBondContact N-O 2.75Å; N107-R267 PolarHBondContact O-N 3Å; N107-Q453 PolarHBondContact ND2-OE1 2.87Å; N107-Q453 PolarHBondContact OD1-NE2 2.91Å
108	F	96.8	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	41.4	171.5	47	-88.2	0	0	0	109.9	G91 S92 V94 G145 Y146 L149 Y264 V266	G91-F108 WeakPolarHBondContact CA-O 3.26Å; S92-F108 PolarHBondContact N-O 2.81Å; S92-F108 CarbonylContact O-C 3.58Å; S92-F108 VanDerWaalsContact O-C 3.28Å; S92-F108 PolarHBondContact O-N 3.5Å; S92-F108 VanDerWaalsContact OG-CE2 3.31Å; S92-F108 WeakPolarHBondContact OG-CE2 3.41Å; V94-F108 HydrophobicContact CB-CE1 4.41Å; V94-F108 HydrophobicContact CG2-CE1 3.65Å; V94-F108 HydrophobicContact CG2-CZ 3.58Å; F108-G145 VanDerWaalsContact CD1-CA 3.45Å; F108-G145 VanDerWaalsContact CG-CA 3.48Å; F108-Y146 HydrophobicContact CE2-CD1 4.19Å; F108-Y146 HydrophobicContact CE2-CE1 4.01Å; F108-Y146 HydrophobicContact CZ-CD1 4.1Å; F108-Y146 HydrophobicContact CZ-CE1 4.12Å; F108-L149 HydrophobicContact CE1-CD1 3.81Å; F108-L149 HydrophobicContact CZ-CD1 4.04Å; F108-Y264 WeakPolarHBondContact CA-OH 3.5Å; F108-Y264 PolarHBondContact O-OH 2.79Å; F108-Y264 VanDerWaalsContact O-OH 3.04Å; F108-V266 HydrophobicContact CB-CG1 4.19Å; F108-V266 HydrophobicContact CB-CG2 4.13Å; F108-V266 HydrophobicContact CD1-CG1 4.15Å
109	R	96.9	Very high	93.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.008	24%	0.239	C	C	.	.			trans	-55.1	146.5	161.6	-173.4	65.7	156.2	173.3	-1.6	110	S92 N107 Y264 E425 D428 Q453 P455 S456	S92-R109 PolarHBondContact O-N 3.26Å; N107-R109 WeakPolarHBondContact OD1-CB 3.48Å; N107-R109 PolarHBondContact OD1-N 3.3Å; R109-Y264 PolarHBondContact O-OH 3.26Å; R109-E425 IonicContact CZ-OE1 3.39Å; R109-E425 IonicContact CZ-OE2 3.75Å; R109-E425 IonicContact NE-OE1 3.5Å; R109-E425 IonicContact NH1-OE1 3.29Å; R109-E425 PolarHBondContact NH1-OE1 3.03Å; R109-E425 IonicContact NH1-OE2 3.6Å; R109-E425 PolarHBondContact NH1-OE2 2.89Å; R109-E425 VanDerWaalsContact NH1-OE2 3.1Å; R109-E425 IonicContact NH2-OE1 2.71Å; R109-E425 PolarHBondContact NH2-OE1 3.22Å; R109-D428 IonicContact CZ-OD2 2.74Å; R109-D428 IonicContact NH2-OD2 2.67Å; R109-D428 PolarHBondContact NH2-OD2 2.78Å; R109-Q453 HydrophobicContact CB-CB 4.49Å; R109-Q453 HydrophobicContact CB-CG 4.36Å; R109-Q453 HydrophobicContact CG-CB 4.28Å; R109-Q453 PolarHBondContact O-NE2 3.49Å; R109-P455 PolarHBondContact NH2-O 3.49Å; R109-P455 VanDerWaalsContact NH2-O 3.07Å; R109-S456 VanDerWaalsContact NH2-CB 3.35Å; R109-S456 PolarHBondContact NH2-OG 3.15Å
110	E	97.6	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.206	C	C	.	.			trans	-57	151.3	173.8	-57.6	94.4	143.4	0	0	111.1	G90 G91 V139 N423 E425 P454	G90-E110 VanDerWaalsContact C-CD 3.44Å; G90-E110 WeakPolarHBondContact CA-OE1 3.08Å; G91-E110 VanDerWaalsContact CA-CD 3.47Å; G91-E110 VanDerWaalsContact CA-OE2 3.23Å; G91-E110 WeakPolarHBondContact CA-OE2 3.26Å; G91-E110 PolarHBondContact N-OE1 2.81Å; G91-E110 PolarHBondContact N-OE2 2.88Å; E110-V139 VanDerWaalsContact CA-O 3.25Å; E110-V139 WeakPolarHBondContact CA-O 2.98Å; E110-V139 WeakPolarHBondContact CB-O 3.33Å; E110-N423 VanDerWaalsContact OE1-CB 3.25Å; E110-N423 WeakPolarHBondContact OE1-CB 3.37Å; E110-E425 HydrophobicContact CB-CB 3.96Å; E110-E425 HydrophobicContact CB-CG 4.16Å; E110-E425 HydrophobicContact CG-CB 4.08Å; E110-E425 HydrophobicContact CG-CG 4.35Å; E110-E425 VanDerWaalsContact OE1-OE2 3.09Å; E110-E425 VanDerWaalsContact OE2-CG 3.24Å; E110-E425 WeakPolarHBondContact OE2-CG 3.21Å; E110-P454 WeakPolarHBondContact O-CD 3.36Å
111	S	95.3	Very high	93.4	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.07	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-119.7	159.2	175.8	64.6	0	0	0	0	111.2	G138 V139 E452	S111-G138 WeakPolarHBondContact O-CA 3.04Å; S111-V139 WeakPolarHBondContact O-CG2 3.36Å; S111-V139 PolarHBondContact O-N 3.39Å; S111-E452 CarbonylContact C-O 3.59Å; S111-E452 WeakPolarHBondContact CA-O 3.49Å
112	T	94.2	Very high	93.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.217	C	C	.	.			trans	-57.7	139.5	169.8	57.5	0	0	0	0	110.3	L426 F429 I436 S451 E452	T112-L426 HydrophobicContact CG2-CD2 3.98Å; T112-F429 HydrophobicContact CG2-CE2 3.68Å; T112-F429 HydrophobicContact CG2-CZ 3.93Å; T112-I436 HydrophobicContact CG2-CG2 3.62Å; T112-S451 WeakPolarHBondContact O-CB 3.48Å; T112-S451 PolarHBondContact O-OG 3.29Å; T112-E452 HydrophobicContact CG2-CB 4.33Å; T112-E452 PolarHBondContact N-O 2.99Å; T112-E452 PolarHBondContact OG1-N 3.14Å
113	P	91.8	Very high	93	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	21%	0.207	C	C	.	.			trans	-63.4	164.9	164.8	30.2	-35.2	0	0	0	110	S115 F116 L256 D260	P113-S115 VanDerWaalsContact CG-O 3.24Å; P113-S115 WeakPolarHBondContact CG-O 3.39Å; P113-S115 PolarHBondContact O-N 3.25Å; P113-F116 HydrophobicContact CG-CB 4.01Å; P113-L256 HydrophobicContact CB-CD2 4.15Å; P113-L256 HydrophobicContact CB-CG 4.33Å; P113-D260 WeakPolarHBondContact CA-OD1 3.32Å
114	Q	86.8	Confident	92.6	Very high	70 Å²	70	38.8 Å²	38.8	33%	0.327	21%	0.21	S	C	.	.	S	Bend	trans	-64.7	-27.5	176.3	-70.8	178.3	26.2	0	0	112.2	D260 S263	Q114-D260 WeakPolarHBondContact CB-OD1 3.37Å; Q114-D260 VanDerWaalsContact CG-OD1 3.26Å; Q114-D260 WeakPolarHBondContact CG-OD1 3.29Å; Q114-D260 PolarHBondContact N-OD1 3.38Å; Q114-S263 PolarHBondContact NE2-OG 2.65Å
115	S	85.4	Confident	91.8	Very high	76 Å²	76	37.1 Å²	37.1	53%	0.531	21%	0.206	S	C	.	.	S	Bend	trans	-129.5	128.2	173.4	-177.1	0	0	0	0	109.6	P113 T255	P113-S115 VanDerWaalsContact CG-O 3.24Å; P113-S115 WeakPolarHBondContact CG-O 3.39Å; P113-S115 PolarHBondContact O-N 3.25Å; S115-T255 WeakPolarHBondContact O-CB 3.41Å; S115-T255 PolarHBondContact O-OG1 3.48Å
116	F	86.6	Confident	90.6	Very high	24 Å²	24	43.9 Å²	43.9	11%	0.105	25%	0.247	C	C	.	.			trans	-142.6	165.5	174.5	55.2	-88	0	0	0	109.3	P113 P118 I436 E438	P113-F116 HydrophobicContact CG-CB 4.01Å; F116-P118 VanDerWaalsContact O-CD 3.25Å; F116-P118 WeakPolarHBondContact O-CD 3.19Å; F116-I436 HydrophobicContact CE1-CG2 4.16Å; F116-I436 HydrophobicContact CE2-CB 3.89Å; F116-I436 HydrophobicContact CE2-CD1 4.32Å; F116-I436 HydrophobicContact CE2-CG2 3.9Å; F116-I436 HydrophobicContact CZ-CB 3.89Å; F116-I436 HydrophobicContact CZ-CG2 3.54Å; F116-E438 HydrophobicContact CE1-CG 4.22Å; F116-E438 HydrophobicContact CZ-CG 4.28Å
117	K	87.3	Confident	89.2	Confident	81 Å²	81	51.7 Å²	51.7	35%	0.352	28%	0.281	S	S	.	.			trans	-57.3	118.7	177.7	180	178.5	172.6	-179.9	0	110	S119 L120 D123	K117-S119 WeakPolarHBondContact CE-OG 3.31Å; K117-S119 PolarHBondContact O-N 2.9Å; K117-L120 HydrophobicContact CB-CB 4.27Å; K117-L120 WeakPolarHBondContact O-CB 3.43Å; K117-L120 PolarHBondContact O-N 3.16Å; K117-D123 WeakPolarHBondContact CD-OD2 3.37Å; K117-D123 WeakPolarHBondContact CE-OD2 3.41Å; K117-D123 IonicContact NZ-OD1 3.39Å; K117-D123 PolarHBondContact NZ-OD1 3.04Å; K117-D123 IonicContact NZ-OD2 3.76Å; K117-D123 PolarHBondContact NZ-OD2 3.34Å
118	P	84.7	Confident	87.8	Confident	128 Å²	128	56.7 Å²	56.7	83%	0.831	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.7	-178.3	-27.8	36.5	0	0	0	113.6	F116 L120	F116-P118 VanDerWaalsContact O-CD 3.25Å; F116-P118 WeakPolarHBondContact O-CD 3.19Å; P118-L120 VanDerWaalsContact C-N 3.34Å
119	S	89.7	Confident	86.5	Confident	41 Å²	41	57.9 Å²	57.9	29%	0.287	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	22.9	175.2	53.5	0	0	0	0	113.8	K117 L121 E122	K117-S119 WeakPolarHBondContact CE-OG 3.31Å; K117-S119 PolarHBondContact O-N 2.9Å; S119-L121 PolarHBondContact O-N 3.4Å; S119-L121 VanDerWaalsContact O-N 3.13Å; S119-E122 WeakPolarHBondContact CB-OE2 3.34Å; S119-E122 VanDerWaalsContact O-CB 3.32Å; S119-E122 WeakPolarHBondContact O-CB 3.22Å; S119-E122 PolarHBondContact O-N 3.48Å
120	L	92.1	Very high	85.8	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-53.8	-36.4	-179.1	-177.9	62.9	0	0	0	112.7	K117 P118 E122 D123 Q135 W136 L426 I436	K117-L120 HydrophobicContact CB-CB 4.27Å; K117-L120 WeakPolarHBondContact O-CB 3.43Å; K117-L120 PolarHBondContact O-N 3.16Å; P118-L120 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.02Å; L120-D123 WeakPolarHBondContact O-CB 3.24Å; L120-D123 PolarHBondContact O-N 2.92Å; L120-D123 VanDerWaalsContact O-N 3.11Å; L120-Q135 HydrophobicContact CD1-CB 4.04Å; L120-Q135 HydrophobicContact CD1-CG 3.72Å; L120-W136 HydrophobicContact CD1-CD2 4.14Å; L120-W136 HydrophobicContact CD1-CE3 3.77Å; L120-W136 HydrophobicContact CD1-CH2 3.94Å; L120-W136 HydrophobicContact CD1-CZ2 4.29Å; L120-W136 HydrophobicContact CD1-CZ3 3.68Å; L120-W136 HydrophobicContact CD2-CE3 4.25Å; L120-W136 HydrophobicContact CD2-CZ3 4.19Å; L120-W136 HydrophobicContact CG-CE3 4.08Å; L120-W136 HydrophobicContact CG-CH2 4.16Å; L120-W136 HydrophobicContact CG-CZ3 3.67Å; L120-W136 WeakPolarHBondContact O-CH2 3.5Å; L120-L426 HydrophobicContact CD2-CB 4.03Å; L120-L426 HydrophobicContact CD2-CD1 4.05Å; L120-I436 HydrophobicContact CD2-CD1 4Å
121	L	92.6	Very high	85.2	Confident	46 Å²	46	60.1 Å²	60.1	24%	0.241	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-69.2	-18.6	178.8	-62.8	-178.2	0	0	0	113.8	S119 D123 C124 F429 V433 I436	S119-L121 PolarHBondContact O-N 3.4Å; S119-L121 VanDerWaalsContact O-N 3.13Å; L121-D123 VanDerWaalsContact C-N 3.27Å; L121-C124 VanDerWaalsContact O-CB 3.3Å; L121-C124 WeakPolarHBondContact O-CB 3.24Å; L121-C124 PolarHBondContact O-N 3.02Å; L121-C124 PolarHBondContact O-SG 2.57Å; L121-F429 HydrophobicContact CD2-CB 3.76Å; L121-V433 HydrophobicContact CD1-CG2 4.07Å; L121-V433 HydrophobicContact CD2-CG2 4.43Å; L121-I436 HydrophobicContact CD1-CG1 4.24Å; L121-I436 HydrophobicContact CD2-CD1 3.89Å; L121-I436 HydrophobicContact CD2-CG1 4.06Å; L121-I436 HydrophobicContact CG-CD1 4.17Å; L121-I436 HydrophobicContact CG-CG1 4.18Å
122	E	91.9	Very high	84.8	Confident	163 Å²	163	61.9 Å²	61.9	76%	0.762	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-74.1	-22.8	173.4	-59.6	177.3	-174.1	0	0	111.5	S119 L120 C124	S119-E122 WeakPolarHBondContact CB-OE2 3.34Å; S119-E122 VanDerWaalsContact O-CB 3.32Å; S119-E122 WeakPolarHBondContact O-CB 3.22Å; S119-E122 PolarHBondContact O-N 3.48Å; L120-E122 PolarHBondContact O-N 3.02Å; E122-C124 PolarHBondContact O-N 3.33Å
123	D	91	Very high	84.7	Confident	62 Å²	62	62.8 Å²	62.8	33%	0.332	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-81.7	-1.4	175.8	-60.6	-20.3	0	0	0	112.8	K117 L120 L121 W136	K117-D123 WeakPolarHBondContact CD-OD2 3.37Å; K117-D123 WeakPolarHBondContact CE-OD2 3.41Å; K117-D123 IonicContact NZ-OD1 3.39Å; K117-D123 PolarHBondContact NZ-OD1 3.04Å; K117-D123 IonicContact NZ-OD2 3.76Å; K117-D123 PolarHBondContact NZ-OD2 3.34Å; L120-D123 WeakPolarHBondContact O-CB 3.24Å; L120-D123 PolarHBondContact O-N 2.92Å; L120-D123 VanDerWaalsContact O-N 3.11Å; L121-D123 VanDerWaalsContact C-N 3.27Å; D123-W136 HydrophobicContact CB-CH2 4.11Å; D123-W136 HydrophobicContact CB-CZ2 3.7Å; D123-W136 WeakPolarHBondContact O-CZ2 3.45Å
124	C	90.3	Very high	84.9	Confident	26 Å²	26	63.2 Å²	63.2	18%	0.176	36%	0.356	C	S	.	.			trans	-57.2	134.6	-177.5	-77.3	0	0	0	0	111.8	L121 E122 T126 C430	L121-C124 VanDerWaalsContact O-CB 3.3Å; L121-C124 WeakPolarHBondContact O-CB 3.24Å; L121-C124 PolarHBondContact O-N 3.02Å; L121-C124 PolarHBondContact O-SG 2.57Å; E122-C124 PolarHBondContact O-N 3.33Å; C124-T126 PolarHBondContact O-N 2.95Å; C124-C430 WeakPolarHBondContact CA-SG 3.39Å; C124-C430 HydrophobicContact CB-CB 3.66Å; C124-C430 WeakPolarHBondContact CB-SG 2.96Å; C124-C430 WeakPolarHBondContact SG-CA 3.47Å; C124-C430 WeakPolarHBondContact SG-CB 3.4Å; C124-C430 CovalentContact SG-SG 2.03Å; C124-C430 PolarHBondContact SG-SG 3.36Å
125	P	81.4	Confident	85.2	Confident	35 Å²	35	62.8 Å²	62.8	23%	0.227	35%	0.354	C	S	.	.			trans	-65	128.4	-176.8	27.2	-34.8	0	0	0	110.5	K127 P381	P125-K127 VanDerWaalsContact C-N 3.3Å; P125-P381 HydrophobicContact CG-CG 4.32Å; P125-P381 WeakPolarHBondContact O-CG 3.19Å
126	T	73.4	Confident	85.7	Confident	142 Å²	142	59.4 Å²	59.4	87%	0.871	33%	0.33	S	S	*	.	S	Bend	trans	-82.2	-11.8	178.6	56.6	0	0	0	0	113	C124	C124-T126 PolarHBondContact O-N 2.95Å
127	K	69.2	Low	86.2	Confident	171 Å²	171	58.3 Å²	58.3	74%	0.743	33%	0.325	S	S	*	.	S	Bend	trans	-134	160.6	177.7	-65	-178.7	-177.7	175.9	0	109.3	P125 G129	P125-K127 VanDerWaalsContact C-N 3.3Å; K127-G129 PolarHBondContact O-N 3.4Å
128	F	69.4	Low	86.7	Confident	110 Å²	110	54.5 Å²	54.5	48%	0.482	31%	0.308	S	S	.	.	S	Bend	trans	-54.9	122.8	170.8	176.4	-92.5	0	0	0	110.1	D382 F384 W540	F128-D382 VanDerWaalsContact CD2-O 3.28Å; F128-D382 WeakPolarHBondContact CD2-O 3.35Å; F128-D382 WeakPolarHBondContact CE2-O 3.37Å; F128-F384 HydrophobicContact CD2-CE2 4.48Å; F128-F384 HydrophobicContact CE1-CD2 4.49Å; F128-F384 HydrophobicContact CE1-CE2 4.03Å; F128-F384 AromaticContact CE2-CD2 3.48Å; F128-F384 HydrophobicContact CE2-CD2 3.48Å; F128-F384 VanDerWaalsContact CE2-CD2 3.48Å; F128-F384 AromaticContact CE2-CE2 3.35Å; F128-F384 HydrophobicContact CE2-CE2 3.35Å; F128-F384 AromaticContact CZ-CD2 3.3Å; F128-F384 HydrophobicContact CZ-CD2 3.3Å; F128-F384 AromaticContact CZ-CE2 3.12Å; F128-F384 HydrophobicContact CZ-CE2 3.12Å; F128-F384 HydrophobicContact CZ-CZ 4.43Å; F128-W540 HydrophobicContact CD2-CH2 4.19Å; F128-W540 HydrophobicContact CD2-CZ3 4.3Å; F128-W540 HydrophobicContact CE2-CH2 4.05Å
129	G	69.9	Low	87.3	Confident	26 Å²	26	48.4 Å²	48.4	27%	0.268	27%	0.269	S	S	.	.			trans	-176.2	168.6	-174.3	0	0	0	0	0	112.2	K127	K127-G129 PolarHBondContact O-N 3.4Å
130	L	80.6	Confident	87.7	Confident	41 Å²	41	46.5 Å²	46.5	22%	0.215	26%	0.255	C	S	.	.			trans	-88.5	122.2	176.3	-61.3	173.5	0	0	0	109.7	A132 Y191 Q407 L408	L130-A132 PolarHBondContact O-N 3.34Å; L130-A132 VanDerWaalsContact O-N 3.09Å; L130-Y191 HydrophobicContact CB-CD2 4.17Å; L130-Y191 HydrophobicContact CB-CE1 4.32Å; L130-Y191 HydrophobicContact CB-CE2 3.74Å; L130-Y191 HydrophobicContact CD1-CD1 3.55Å; L130-Y191 HydrophobicContact CD1-CD2 4.01Å; L130-Y191 HydrophobicContact CD1-CE1 3.78Å; L130-Y191 HydrophobicContact CD1-CE2 4.23Å; L130-Y191 HydrophobicContact CD1-CG 3.66Å; L130-Q407 VanDerWaalsContact CA-OE1 3.26Å; L130-Q407 HydrophobicContact CD2-CB 4.08Å; L130-L408 HydrophobicContact CD2-CB 4.12Å
131	S	85	Confident	88	Confident	8 Å²	8	46.5 Å²	46.5	6%	0.056	26%	0.255	C	S	.	.			trans	-78.5	87.9	176.9	-63.6	0	0	0	0	109.7	N424	S131-N424 WeakPolarHBondContact CB-ND2 3.44Å; S131-N424 WeakPolarHBondContact O-CB 3.41Å; S131-N424 PolarHBondContact O-ND2 3.22Å
132	A	87.8	Confident	88.3	Confident	47 Å²	47	44.3 Å²	44.3	39%	0.388	24%	0.244	S	C	.	.			trans	-77.7	154.4	175.1	0	0	0	0	0	112.3	L130 Q135 Y191 G411	L130-A132 PolarHBondContact O-N 3.34Å; L130-A132 VanDerWaalsContact O-N 3.09Å; A132-Q135 PolarHBondContact O-NE2 2.77Å; A132-Y191 HydrophobicContact CB-CE2 3.51Å; A132-G411 WeakPolarHBondContact CA-O 3.32Å
133	G	92.4	Very high	88.6	Confident	20 Å²	20	36.5 Å²	36.5	21%	0.206	21%	0.207	C	C	.	.	S	Bend	trans	114.3	155.4	168	0	0	0	0	0	113.8	Q135 W136 G411	G133-Q135 VanDerWaalsContact CA-OE1 3.27Å; G133-Q135 PolarHBondContact O-N 3.2Å; G133-W136 PolarHBondContact O-N 2.72Å; G133-G411 PolarHBondContact N-O 3.24Å
134	S	94.5	Very high	88.9	Confident	10 Å²	10	34.8 Å²	34.8	7%	0.07	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-69.9	-20.5	-174	57.8	0	0	0	0	113.7	W136 I137 A252 G254	S134-W136 PolarHBondContact O-N 2.81Å; S134-I137 VanDerWaalsContact CA-CD1 3.46Å; S134-I137 WeakPolarHBondContact O-CG1 3.41Å; S134-I137 PolarHBondContact O-N 3.03Å; S134-A252 WeakPolarHBondContact CB-O 3.46Å; S134-A252 PolarHBondContact OG-O 3.37Å; S134-G254 WeakPolarHBondContact OG-CA 3.23Å; S134-G254 PolarHBondContact OG-N 3.13Å
135	Q	93.7	Very high	89.3	Confident	60 Å²	60	33.5 Å²	33.5	28%	0.28	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-64.5	-19.8	176.8	74.1	-77.3	4.8	0	0	113.6	L120 A132 G133	L120-Q135 HydrophobicContact CD1-CB 4.04Å; L120-Q135 HydrophobicContact CD1-CG 3.72Å; A132-Q135 PolarHBondContact O-NE2 2.77Å; G133-Q135 VanDerWaalsContact CA-OE1 3.27Å; G133-Q135 PolarHBondContact O-N 3.2Å
136	W	95.8	Very high	90.1	Very high	6 Å²	6	31.9 Å²	31.9	2%	0.023	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-92.1	-4.5	179.7	-61.1	112.9	0	0	0	113.9	L120 D123 G133 S134 G138 N424 E425 L426 A427	L120-W136 HydrophobicContact CD1-CD2 4.14Å; L120-W136 HydrophobicContact CD1-CE3 3.77Å; L120-W136 HydrophobicContact CD1-CH2 3.94Å; L120-W136 HydrophobicContact CD1-CZ2 4.29Å; L120-W136 HydrophobicContact CD1-CZ3 3.68Å; L120-W136 HydrophobicContact CD2-CE3 4.25Å; L120-W136 HydrophobicContact CD2-CZ3 4.19Å; L120-W136 HydrophobicContact CG-CE3 4.08Å; L120-W136 HydrophobicContact CG-CH2 4.16Å; L120-W136 HydrophobicContact CG-CZ3 3.67Å; L120-W136 WeakPolarHBondContact O-CH2 3.5Å; D123-W136 HydrophobicContact CB-CH2 4.11Å; D123-W136 HydrophobicContact CB-CZ2 3.7Å; D123-W136 WeakPolarHBondContact O-CZ2 3.45Å; G133-W136 PolarHBondContact O-N 2.72Å; S134-W136 PolarHBondContact O-N 2.81Å; W136-G138 PolarHBondContact O-N 3.37Å; W136-N424 HydrophobicContact CB-CB 3.57Å; W136-N424 HydrophobicContact CG-CB 4.38Å; W136-N424 CarbonylContact O-C 3.51Å; W136-N424 VanDerWaalsContact O-CA 3.3Å; W136-N424 WeakPolarHBondContact O-CA 3.46Å; W136-E425 PolarHBondContact O-N 3.27Å; W136-L426 HydrophobicContact CE3-CB 4.26Å; W136-L426 WeakPolarHBondContact O-CB 3.46Å; W136-L426 WeakPolarHBondContact O-CG 3.16Å; W136-L426 PolarHBondContact O-N 3.43Å; W136-A427 HydrophobicContact CD2-CB 4.18Å; W136-A427 HydrophobicContact CE3-CB 3.87Å; W136-A427 HydrophobicContact CZ3-CB 4.31Å
137	I	97.1	Very high	91.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-73.9	121.1	-174.8	-54.5	165.1	0	0	0	109.3	S134 I249 L256 V413 L422 N423 L426	S134-I137 VanDerWaalsContact CA-CD1 3.46Å; S134-I137 WeakPolarHBondContact O-CG1 3.41Å; S134-I137 PolarHBondContact O-N 3.03Å; I137-I249 HydrophobicContact CD1-CG1 4.47Å; I137-I249 HydrophobicContact CD1-CG2 4.41Å; I137-L256 HydrophobicContact CB-CD1 3.64Å; I137-L256 HydrophobicContact CG2-CD1 3.3Å; I137-V413 HydrophobicContact CD1-CB 4.28Å; I137-V413 HydrophobicContact CD1-CG1 4.28Å; I137-V413 HydrophobicContact CD1-CG2 4.27Å; I137-L422 HydrophobicContact CD1-CB 4.06Å; I137-L422 HydrophobicContact CD1-CD1 3.69Å; I137-L422 HydrophobicContact CG1-CB 4.15Å; I137-L422 HydrophobicContact CG2-CB 4.13Å; I137-L422 HydrophobicContact CG2-CD1 4.24Å; I137-N423 WeakPolarHBondContact CA-O 3.25Å; I137-N423 WeakPolarHBondContact CG1-O 3.31Å; I137-L426 WeakPolarHBondContact O-CD1 3.38Å
138	G	97.2	Very high	92.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-88.4	160.5	165.5	0	0	0	0	0	111.5	S111 W136 P140 N423	S111-G138 WeakPolarHBondContact O-CA 3.04Å; W136-G138 PolarHBondContact O-N 3.37Å; G138-P140 VanDerWaalsContact O-CD 3.24Å; G138-P140 WeakPolarHBondContact O-CD 3.29Å; G138-N423 PolarHBondContact N-OD1 2.87Å; G138-N423 PolarHBondContact O-ND2 3.23Å
139	V	98	Very high	94.1	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-61.9	117.9	178.9	-172.5	0	0	0	0	110.2	E110 S111 G141 L256 D260 L261 Y264	E110-V139 VanDerWaalsContact CA-O 3.25Å; E110-V139 WeakPolarHBondContact CA-O 2.98Å; E110-V139 WeakPolarHBondContact CB-O 3.33Å; S111-V139 WeakPolarHBondContact O-CG2 3.36Å; S111-V139 PolarHBondContact O-N 3.39Å; V139-G141 PolarHBondContact O-N 3.29Å; V139-L256 HydrophobicContact CB-CD2 4.19Å; V139-L256 HydrophobicContact CG2-CD2 3.56Å; V139-D260 HydrophobicContact CG2-CB 3.86Å; V139-L261 HydrophobicContact CG1-CD2 4.02Å; V139-Y264 HydrophobicContact CB-CD2 3.93Å; V139-Y264 HydrophobicContact CG1-CD2 3.64Å; V139-Y264 HydrophobicContact CG1-CG 4.01Å
140	P	98.4	Very high	95.5	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-64.1	132.3	-177.1	-25.3	36.1	0	0	0	113.9	G90 G138 F236 Y237 L422	G90-P140 WeakPolarHBondContact O-CA 3.43Å; G138-P140 VanDerWaalsContact O-CD 3.24Å; G138-P140 WeakPolarHBondContact O-CD 3.29Å; P140-F236 HydrophobicContact CB-CZ 4.41Å; P140-Y237 WeakPolarHBondContact O-CE1 3.28Å; P140-Y237 PolarHBondContact O-OH 3.43Å; P140-L422 HydrophobicContact CG-CD2 4.26Å
141	G	98.3	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.			trans	-106.7	-17.9	-174.7	0	0	0	0	0	116.1	G90 V139 L143 L144 G145 Y237 Y264	G90-G141 PolarHBondContact O-N 2.9Å; V139-G141 PolarHBondContact O-N 3.29Å; G141-L143 PolarHBondContact O-N 3.32Å; G141-L144 PolarHBondContact O-N 2.9Å; G141-G145 PolarHBondContact O-N 3.38Å; G141-Y237 PolarHBondContact O-OH 2.98Å; G141-Y264 VanDerWaalsContact CA-CZ 3.4Å; G141-Y264 WeakPolarHBondContact CA-OH 3.42Å
142	E	98.1	Very high	96.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-53.9	-53.2	-165.2	-116.3	59.7	167.7	0	0	114.6	G90 G91 S92 L144 G145 Y146 S403	G90-E142 PolarHBondContact O-N 2.9Å; G90-E142 VanDerWaalsContact O-OE2 3.07Å; G91-E142 VanDerWaalsContact CA-CD 3.45Å; G91-E142 WeakPolarHBondContact CA-OE2 3.4Å; G91-E142 VanDerWaalsContact N-CD 3.35Å; G91-E142 PolarHBondContact N-OE1 3.5Å; G91-E142 PolarHBondContact N-OE2 3.41Å; S92-E142 PolarHBondContact N-OE1 3.45Å; S92-E142 PolarHBondContact N-OE2 2.82Å; S92-E142 VanDerWaalsContact OG-CD 3.24Å; S92-E142 PolarHBondContact OG-OE1 3.03Å; E142-L144 PolarHBondContact O-N 2.87Å; E142-G145 PolarHBondContact O-N 3.41Å; E142-Y146 HydrophobicContact CB-CE2 4.31Å; E142-Y146 HydrophobicContact CG-CE1 4.29Å; E142-Y146 HydrophobicContact CG-CE2 4.05Å; E142-Y146 WeakPolarHBondContact CG-OH 3.36Å; E142-Y146 WeakPolarHBondContact O-CD1 3.32Å; E142-Y146 WeakPolarHBondContact O-CD2 3.45Å; E142-Y146 PolarHBondContact O-N 2.81Å; E142-S403 PolarHBondContact OE1-OG 3.34Å
143	L	98.5	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.1	-39.3	-174	-68.9	179.7	0	0	0	112.1	I88 G141 Y146 E147 F162 V227 A232 F236 Y237	I88-L143 HydrophobicContact CB-CD1 4.43Å; I88-L143 HydrophobicContact CB-CD2 4.16Å; I88-L143 HydrophobicContact CB-CG 4.08Å; I88-L143 HydrophobicContact CD1-CD1 4.22Å; I88-L143 HydrophobicContact CG2-CD2 3.73Å; I88-L143 HydrophobicContact CG2-CG 4.21Å; G141-L143 PolarHBondContact O-N 3.32Å; L143-Y146 HydrophobicContact CD2-CD2 4.49Å; L143-E147 WeakPolarHBondContact O-CB 3.41Å; L143-E147 PolarHBondContact O-N 2.92Å; L143-F162 HydrophobicContact CD2-CE1 4.35Å; L143-V227 HydrophobicContact CD1-CG1 4.16Å; L143-V227 HydrophobicContact CD1-CG2 3.89Å; L143-V227 HydrophobicContact CD2-CG1 4.03Å; L143-A232 HydrophobicContact CB-CB 3.79Å; L143-A232 VanDerWaalsContact O-CB 3.29Å; L143-A232 WeakPolarHBondContact O-CB 3.29Å; L143-F236 HydrophobicContact CD1-CB 4.1Å; L143-F236 HydrophobicContact CD1-CD2 3.72Å; L143-F236 HydrophobicContact CD1-CE2 4.29Å; L143-F236 HydrophobicContact CD1-CG 3.91Å; L143-Y237 HydrophobicContact CB-CE2 4.03Å
144	L	98.2	Very high	97.7	Very high	25 Å²	25	25.3 Å²	25.3	13%	0.131	12%	0.12	C	C	.	.	H	α-helix	trans	-70.4	-36.2	176.6	-161.2	64.9	0	0	0	111.4	G141 E142 E147 A148 K233 Y237 Y264 V266	G141-L144 PolarHBondContact O-N 2.9Å; E142-L144 PolarHBondContact O-N 2.87Å; L144-E147 PolarHBondContact O-N 3.35Å; L144-A148 WeakPolarHBondContact O-CB 3.21Å; L144-A148 PolarHBondContact O-N 2.85Å; L144-K233 HydrophobicContact CD1-CB 4.37Å; L144-Y237 HydrophobicContact CB-CD2 4.22Å; L144-Y237 HydrophobicContact CB-CE1 4.26Å; L144-Y237 HydrophobicContact CB-CE2 3.52Å; L144-Y237 HydrophobicContact CD1-CD2 4.19Å; L144-Y237 HydrophobicContact CD1-CE2 4.31Å; L144-Y237 HydrophobicContact CG-CE2 4.4Å; L144-Y237 PolarHBondContact N-OH 3.45Å; L144-Y264 HydrophobicContact CD2-CD1 3.83Å; L144-Y264 HydrophobicContact CD2-CE1 4.43Å; L144-V266 HydrophobicContact CB-CG2 4.03Å; L144-V266 HydrophobicContact CD2-CG2 4.12Å; L144-V266 HydrophobicContact CG-CG2 3.86Å
145	G	98.5	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.2	-50.3	173.2	0	0	0	0	0	112.5	F108 G141 E142 A148 L149	F108-G145 VanDerWaalsContact CD1-CA 3.45Å; F108-G145 VanDerWaalsContact CG-CA 3.48Å; G141-G145 PolarHBondContact O-N 3.38Å; E142-G145 PolarHBondContact O-N 3.41Å; G145-A148 PolarHBondContact O-N 3.39Å; G145-L149 WeakPolarHBondContact O-CG 3.36Å; G145-L149 PolarHBondContact O-N 2.83Å
146	Y	98.8	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-44.4	176.2	-63.7	-16.2	0	0	0	111.9	I72 L75 L76 F108 E142 L143 A148 L149 H150	I72-Y146 WeakPolarHBondContact CD1-O 3.36Å; I72-Y146 HydrophobicContact CG1-CD1 4.07Å; I72-Y146 HydrophobicContact CG1-CG 4.15Å; I72-Y146 HydrophobicContact CG2-CD2 4.21Å; I72-Y146 HydrophobicContact CG2-CG 4.14Å; L75-Y146 HydrophobicContact CB-CE1 4.47Å; L75-Y146 WeakPolarHBondContact CB-OH 3.47Å; L75-Y146 HydrophobicContact CD1-CE1 3.79Å; L76-Y146 HydrophobicContact CD2-CD2 4.39Å; L76-Y146 HydrophobicContact CD2-CE2 4.14Å; L76-Y146 HydrophobicContact CG-CE2 4.39Å; F108-Y146 HydrophobicContact CE2-CD1 4.19Å; F108-Y146 HydrophobicContact CE2-CE1 4.01Å; F108-Y146 HydrophobicContact CZ-CD1 4.1Å; F108-Y146 HydrophobicContact CZ-CE1 4.12Å; E142-Y146 HydrophobicContact CB-CE2 4.31Å; E142-Y146 HydrophobicContact CG-CE1 4.29Å; E142-Y146 HydrophobicContact CG-CE2 4.05Å; E142-Y146 WeakPolarHBondContact CG-OH 3.36Å; E142-Y146 WeakPolarHBondContact O-CD1 3.32Å; E142-Y146 WeakPolarHBondContact O-CD2 3.45Å; E142-Y146 PolarHBondContact O-N 2.81Å; L143-Y146 HydrophobicContact CD2-CD2 4.49Å; Y146-A148 VanDerWaalsContact C-N 3.33Å; Y146-A148 PolarHBondContact O-N 3.3Å; Y146-L149 PolarHBondContact O-N 3.07Å; Y146-H150 VanDerWaalsContact O-CB 3.24Å; Y146-H150 WeakPolarHBondContact O-CB 3.45Å; Y146-H150 PolarHBondContact O-N 3.4Å
147	E	98.6	Very high	98.3	Very high	38 Å²	38	31.6 Å²	31.6	18%	0.178	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-39.1	177.1	-175.1	178	-103.7	0	0	111.7	L143 L144 R151 W158 A232	L143-E147 WeakPolarHBondContact O-CB 3.41Å; L143-E147 PolarHBondContact O-N 2.92Å; L144-E147 PolarHBondContact O-N 3.35Å; E147-R151 VanDerWaalsContact O-CB 3.3Å; E147-R151 WeakPolarHBondContact O-CB 3.34Å; E147-R151 PolarHBondContact O-N 2.78Å; E147-W158 HydrophobicContact CB-CH2 4.04Å; E147-W158 HydrophobicContact CB-CZ2 4.34Å; E147-W158 HydrophobicContact CB-CZ3 4.47Å; E147-A232 HydrophobicContact CB-CB 3.98Å; E147-A232 HydrophobicContact CG-CB 4.5Å; E147-A232 PolarHBondContact OE1-N 3.49Å
148	A	98.6	Very high	98.4	Very high	11 Å²	11	33 Å²	33	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-66.9	-41.4	176.9	0	0	0	0	0	112.8	L144 G145 Y146 E152 V266	L144-A148 WeakPolarHBondContact O-CB 3.21Å; L144-A148 PolarHBondContact O-N 2.85Å; G145-A148 PolarHBondContact O-N 3.39Å; Y146-A148 VanDerWaalsContact C-N 3.33Å; Y146-A148 PolarHBondContact O-N 3.3Å; A148-E152 PolarHBondContact O-N 2.81Å; A148-V266 HydrophobicContact CB-CB 4.45Å; A148-V266 HydrophobicContact CB-CG1 4.37Å; A148-V266 HydrophobicContact CB-CG2 4.19Å
149	L	98.5	Very high	98.5	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-48.1	174.9	-78.5	167.9	0	0	0	111.5	V68 I72 V94 V96 Y106 F108 G145 Y146 R151 E152 Y153	V68-L149 HydrophobicContact CG1-CB 3.81Å; I72-L149 HydrophobicContact CD1-CB 4.41Å; V94-L149 HydrophobicContact CB-CD1 4.33Å; V94-L149 HydrophobicContact CG1-CD1 4.2Å; V94-L149 HydrophobicContact CG1-CD2 4.43Å; V94-L149 HydrophobicContact CG2-CD1 4.07Å; V96-L149 HydrophobicContact CG2-CD2 3.85Å; Y106-L149 HydrophobicContact CD1-CD2 3.81Å; Y106-L149 HydrophobicContact CD1-CG 4.12Å; Y106-L149 HydrophobicContact CD2-CD2 3.51Å; Y106-L149 HydrophobicContact CE1-CD2 4.1Å; Y106-L149 HydrophobicContact CE2-CD2 3.84Å; Y106-L149 HydrophobicContact CG-CD2 3.51Å; Y106-L149 HydrophobicContact CG-CG 4.11Å; F108-L149 HydrophobicContact CE1-CD1 3.81Å; F108-L149 HydrophobicContact CZ-CD1 4.04Å; G145-L149 WeakPolarHBondContact O-CG 3.36Å; G145-L149 PolarHBondContact O-N 2.83Å; Y146-L149 PolarHBondContact O-N 3.07Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 3.37Å; L149-E152 PolarHBondContact O-N 3.34Å; L149-Y153 PolarHBondContact O-N 2.87Å
150	H	98.8	Very high	98.5	Very high	30 Å²	30	38 Å²	38	14%	0.139	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-40.5	179.9	-178.9	-100.3	0	0	0	111.8	D69 I72 Y146 E152 G154 L156 W158	D69-H150 IonicContact OD1-CD2 3.92Å; D69-H150 PolarHBondContact OD1-CD2 2.95Å; D69-H150 IonicContact OD1-NE2 2.59Å; I72-H150 HydrophobicContact CD1-CB 4Å; Y146-H150 VanDerWaalsContact O-CB 3.24Å; Y146-H150 WeakPolarHBondContact O-CB 3.45Å; Y146-H150 PolarHBondContact O-N 3.4Å; H150-E152 VanDerWaalsContact C-N 3.27Å; H150-E152 PolarHBondContact O-N 3.48Å; H150-G154 WeakPolarHBondContact O-CA 3.16Å; H150-G154 PolarHBondContact O-N 3.04Å; H150-L156 PolarHBondContact CE1-O 3.26Å; H150-L156 VanDerWaalsContact CE1-O 3.32Å; H150-L156 PolarHBondContact NE2-O 3.14Å; H150-W158 HydrophobicContact CB-CE3 3.76Å; H150-W158 HydrophobicContact CB-CZ3 3.72Å; H150-W158 AromaticContact CG-CE3 3.6Å; H150-W158 AromaticContact ND1-CE3 3.69Å
151	R	98.3	Very high	98.5	Very high	185 Å²	185	37.9 Å²	37.9	70%	0.698	19%	0.187	S	C	*	.	H	α-helix	trans	-61.1	-35.1	176.1	-175.3	176	64.3	-127.6	-2.6	113.3	E147 L149	E147-R151 VanDerWaalsContact O-CB 3.3Å; E147-R151 WeakPolarHBondContact O-CB 3.34Å; E147-R151 PolarHBondContact O-N 2.78Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 3.37Å
152	E	97.9	Very high	98.5	Very high	100 Å²	100	37.9 Å²	37.9	47%	0.467	19%	0.187	S	C	.	.	H	α-helix	trans	-84.6	-40.1	-177.7	-176.3	82.7	166.5	0	0	112.5	K104 A148 L149 H150	K104-E152 IonicContact NZ-OE1 3.1Å; K104-E152 PolarHBondContact NZ-OE1 3.36Å; A148-E152 PolarHBondContact O-N 2.81Å; L149-E152 PolarHBondContact O-N 3.34Å; H150-E152 VanDerWaalsContact C-N 3.27Å; H150-E152 PolarHBondContact O-N 3.48Å
153	Y	98.4	Very high	98.6	Very high	31 Å²	31	42.1 Å²	42.1	12%	0.122	21%	0.207	C	C	.	.	H	α-helix	trans	-126.8	-10.3	-168	-59.4	-66.2	0	0	0	114.9	S66 V68 V96 N98 K104 Y106 L149 L397	S66-Y153 WeakPolarHBondContact CB-O 3.3Å; S66-Y153 PolarHBondContact OG-O 3.47Å; V68-Y153 HydrophobicContact CG2-CD2 4Å; V68-Y153 HydrophobicContact CG2-CG 4.16Å; V96-Y153 HydrophobicContact CB-CE2 4.32Å; V96-Y153 HydrophobicContact CG1-CD2 4.17Å; V96-Y153 HydrophobicContact CG1-CE2 3.82Å; N98-Y153 HydrophobicContact CB-CE1 4.5Å; K104-Y153 WeakPolarHBondContact CD-OH 3.27Å; Y106-Y153 AromaticContact CE2-CE2 3.82Å; Y106-Y153 HydrophobicContact CE2-CE2 3.82Å; Y106-Y153 AromaticContact CZ-CE2 3.83Å; Y106-Y153 VanDerWaalsContact OH-CE2 3.31Å; Y106-Y153 WeakPolarHBondContact OH-CE2 3.45Å; L149-Y153 PolarHBondContact O-N 2.87Å; Y153-L397 HydrophobicContact CD1-CD1 3.99Å; Y153-L397 HydrophobicContact CD1-CD2 4.45Å; Y153-L397 HydrophobicContact CE1-CD1 4.29Å; Y153-L397 HydrophobicContact CG-CD1 4.45Å; Y153-L397 HydrophobicContact CG-CD2 4.35Å
154	G	98.4	Very high	98.6	Very high	26 Å²	26	43.6 Å²	43.6	27%	0.268	22%	0.216	S	C	.	.			trans	-67.2	148.6	-177.6	0	0	0	0	0	112.6	D69 H150	D69-G154 WeakPolarHBondContact OD1-CA 3.41Å; H150-G154 WeakPolarHBondContact O-CA 3.16Å; H150-G154 PolarHBondContact O-N 3.04Å
155	K	98.6	Very high	98.6	Very high	112 Å²	112	42.4 Å²	42.4	49%	0.487	21%	0.21	S	C	.	.			trans	-124.8	-33.2	179.5	-69	-178.7	177.5	-175.9	0	113	G64 D69 D395	G64-K155 WeakPolarHBondContact O-CD 3.29Å; D69-K155 PolarHBondContact OD1-N 3.35Å; D69-K155 PolarHBondContact OD2-N 3.04Å; K155-D395 IonicContact NZ-OD2 3.77Å; K155-D395 PolarHBondContact NZ-OD2 2.77Å
156	L	98.8	Very high	98.6	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.147	21%	0.214	C	C	.	.	S	Bend	trans	-79.9	162.4	173.4	-59.7	-178.8	0	0	0	110.1	M60 Q63 D69 H150 K160 L161	M60-L156 HydrophobicContact CB-CD1 3.94Å; M60-L156 HydrophobicContact CG-CD1 4.34Å; M60-L156 HydrophobicContact SD-CD1 3.68Å; Q63-L156 HydrophobicContact CB-CD1 4.42Å; Q63-L156 HydrophobicContact CB-CD2 4.38Å; D69-L156 HydrophobicContact CB-CD1 4.48Å; D69-L156 PolarHBondContact OD2-N 3Å; H150-L156 PolarHBondContact CE1-O 3.26Å; H150-L156 VanDerWaalsContact CE1-O 3.32Å; H150-L156 PolarHBondContact NE2-O 3.14Å; L156-K160 HydrophobicContact CB-CB 4.27Å; L156-K160 HydrophobicContact CB-CG 4.45Å; L156-K160 HydrophobicContact CD1-CG 4.24Å; L156-L161 HydrophobicContact CB-CD2 4.2Å; L156-L161 HydrophobicContact CD1-CD2 4.26Å
157	S	98.6	Very high	98.6	Very high	69 Å²	69	48.7 Å²	48.7	48%	0.483	24%	0.238	S	C	.	.			trans	-62.9	144.3	170.6	65	0	0	0	0	110.1	S159 K160	S157-S159 PolarHBondContact O-N 3.27Å; S157-S159 PolarHBondContact OG-OG 2.78Å; S157-K160 VanDerWaalsContact O-CB 3.22Å; S157-K160 WeakPolarHBondContact O-CB 3.48Å; S157-K160 PolarHBondContact O-N 2.75Å
158	W	98.7	Very high	98.6	Very high	31 Å²	31	48.4 Å²	48.4	12%	0.117	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-50.2	-46.7	179.6	174.4	-113.1	0	0	0	112.1	I72 E147 H150 K160 L161 F162 V227 A232	I72-W158 HydrophobicContact CD1-CZ3 4.45Å; E147-W158 HydrophobicContact CB-CH2 4.04Å; E147-W158 HydrophobicContact CB-CZ2 4.34Å; E147-W158 HydrophobicContact CB-CZ3 4.47Å; H150-W158 HydrophobicContact CB-CE3 3.76Å; H150-W158 HydrophobicContact CB-CZ3 3.72Å; H150-W158 AromaticContact CG-CE3 3.6Å; H150-W158 AromaticContact ND1-CE3 3.69Å; W158-K160 PolarHBondContact O-N 2.87Å; W158-L161 HydrophobicContact CE3-CD1 4.36Å; W158-L161 PolarHBondContact O-N 3.24Å; W158-F162 AromaticContact CD2-CE2 3.73Å; W158-F162 HydrophobicContact CD2-CE2 3.73Å; W158-F162 HydrophobicContact CD2-CZ 4.44Å; W158-F162 AromaticContact CE2-CE2 3.35Å; W158-F162 AromaticContact CE2-CZ 3.65Å; W158-F162 HydrophobicContact CE3-CE2 4.1Å; W158-F162 HydrophobicContact CG-CE2 4.36Å; W158-F162 AromaticContact CH2-CE2 3.86Å; W158-F162 HydrophobicContact CH2-CE2 3.86Å; W158-F162 AromaticContact CH2-CZ 3.77Å; W158-F162 HydrophobicContact CH2-CZ 3.77Å; W158-F162 AromaticContact CZ2-CE2 3.45Å; W158-F162 HydrophobicContact CZ2-CE2 3.45Å; W158-F162 VanDerWaalsContact CZ2-CE2 3.45Å; W158-F162 AromaticContact CZ2-CZ 3.3Å; W158-F162 HydrophobicContact CZ2-CZ 3.3Å; W158-F162 HydrophobicContact CZ3-CE2 4.15Å; W158-F162 HydrophobicContact CZ3-CZ 4.49Å; W158-F162 AromaticContact NE1-CE2 3.72Å; W158-F162 VanDerWaalsContact O-CD2 3.26Å; W158-F162 WeakPolarHBondContact O-CD2 3.4Å; W158-V227 HydrophobicContact CZ2-CG1 4.36Å; W158-V227 PolarHBondContact NE1-O 3.34Å; W158-A232 HydrophobicContact CZ2-CB 4.46Å
159	S	98.7	Very high	98.6	Very high	46 Å²	46	47.9 Å²	47.9	32%	0.322	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-58.7	-33.7	179.8	63.9	0	0	0	0	113.6	S157 L161 F162 E163 A228	S157-S159 PolarHBondContact O-N 3.27Å; S157-S159 PolarHBondContact OG-OG 2.78Å; S159-L161 PolarHBondContact O-N 3.04Å; S159-F162 PolarHBondContact O-N 3.44Å; S159-F162 VanDerWaalsContact O-N 3.1Å; S159-E163 PolarHBondContact O-N 2.86Å; S159-A228 WeakPolarHBondContact CB-O 3.42Å
160	K	98.8	Very high	98.6	Very high	58 Å²	58	52.3 Å²	52.3	25%	0.252	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-60.7	-34	-176.2	-167.2	70.3	-171.1	162.7	0	112.1	M60 L156 S157 W158 F162 E163	M60-K160 HydrophobicContact SD-CG 4.32Å; L156-K160 HydrophobicContact CB-CB 4.27Å; L156-K160 HydrophobicContact CB-CG 4.45Å; L156-K160 HydrophobicContact CD1-CG 4.24Å; S157-K160 VanDerWaalsContact O-CB 3.22Å; S157-K160 WeakPolarHBondContact O-CB 3.48Å; S157-K160 PolarHBondContact O-N 2.75Å; W158-K160 PolarHBondContact O-N 2.87Å; K160-F162 PolarHBondContact O-N 3.35Å; K160-E163 WeakPolarHBondContact CD-OE2 3.37Å; K160-E163 WeakPolarHBondContact CE-OE2 3.37Å; K160-E163 IonicContact NZ-OE1 3.98Å; K160-E163 IonicContact NZ-OE2 3.51Å; K160-E163 PolarHBondContact NZ-OE2 2.94Å
161	L	98.8	Very high	98.6	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-67.8	-22.9	-178.1	-50.1	-173.8	0	0	0	112.6	M60 D69 I72 L156 W158 S159	M60-L161 HydrophobicContact CG-CD2 4.31Å; M60-L161 HydrophobicContact SD-CD2 4.11Å; D69-L161 HydrophobicContact CB-CD2 3.66Å; I72-L161 HydrophobicContact CB-CD1 4.06Å; I72-L161 HydrophobicContact CD1-CD1 4.18Å; I72-L161 HydrophobicContact CG2-CB 4.25Å; I72-L161 HydrophobicContact CG2-CD1 3.84Å; L156-L161 HydrophobicContact CB-CD2 4.2Å; L156-L161 HydrophobicContact CD1-CD2 4.26Å; W158-L161 HydrophobicContact CE3-CD1 4.36Å; W158-L161 PolarHBondContact O-N 3.24Å; S159-L161 PolarHBondContact O-N 3.04Å
162	F	98.9	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-26.7	-175.9	-68.3	-105.2	0	0	0	112.9	L76 L143 W158 S159 K160 P164 T165 I166 L224 V227 A228	L76-F162 HydrophobicContact CD1-CD1 3.76Å; L76-F162 HydrophobicContact CD1-CD2 3.99Å; L76-F162 HydrophobicContact CD1-CE1 3.75Å; L76-F162 HydrophobicContact CD1-CE2 3.97Å; L76-F162 HydrophobicContact CD1-CG 3.86Å; L76-F162 HydrophobicContact CD1-CZ 3.84Å; L76-F162 HydrophobicContact CD2-CD1 4.12Å; L76-F162 HydrophobicContact CD2-CE1 3.73Å; L76-F162 HydrophobicContact CD2-CZ 4.3Å; L76-F162 HydrophobicContact CG-CE1 4.43Å; L143-F162 HydrophobicContact CD2-CE1 4.35Å; W158-F162 AromaticContact CD2-CE2 3.73Å; W158-F162 HydrophobicContact CD2-CE2 3.73Å; W158-F162 HydrophobicContact CD2-CZ 4.44Å; W158-F162 AromaticContact CE2-CE2 3.35Å; W158-F162 AromaticContact CE2-CZ 3.65Å; W158-F162 HydrophobicContact CE3-CE2 4.1Å; W158-F162 HydrophobicContact CG-CE2 4.36Å; W158-F162 AromaticContact CH2-CE2 3.86Å; W158-F162 HydrophobicContact CH2-CE2 3.86Å; W158-F162 AromaticContact CH2-CZ 3.77Å; W158-F162 HydrophobicContact CH2-CZ 3.77Å; W158-F162 AromaticContact CZ2-CE2 3.45Å; W158-F162 HydrophobicContact CZ2-CE2 3.45Å; W158-F162 VanDerWaalsContact CZ2-CE2 3.45Å; W158-F162 AromaticContact CZ2-CZ 3.3Å; W158-F162 HydrophobicContact CZ2-CZ 3.3Å; W158-F162 HydrophobicContact CZ3-CE2 4.15Å; W158-F162 HydrophobicContact CZ3-CZ 4.49Å; W158-F162 AromaticContact NE1-CE2 3.72Å; W158-F162 VanDerWaalsContact O-CD2 3.26Å; W158-F162 WeakPolarHBondContact O-CD2 3.4Å; S159-F162 PolarHBondContact O-N 3.44Å; S159-F162 VanDerWaalsContact O-N 3.1Å; K160-F162 PolarHBondContact O-N 3.35Å; F162-P164 VanDerWaalsContact C-CD 3.46Å; F162-T165 PolarHBondContact O-N 2.88Å; F162-T165 VanDerWaalsContact O-N 3.09Å; F162-I166 HydrophobicContact CB-CD1 3.7Å; F162-I166 HydrophobicContact CB-CG1 4.26Å; F162-I166 WeakPolarHBondContact O-CG1 3.31Å; F162-I166 PolarHBondContact O-N 3.33Å; F162-L224 HydrophobicContact CD1-CB 4.21Å; F162-L224 HydrophobicContact CD1-CD2 3.93Å; F162-L224 HydrophobicContact CE1-CD2 4.01Å; F162-V227 HydrophobicContact CE1-CG1 3.9Å; F162-V227 HydrophobicContact CZ-CG1 4.02Å; F162-A228 HydrophobicContact CB-CB 3.74Å; F162-A228 HydrophobicContact CD1-CB 4.34Å; F162-A228 HydrophobicContact CD2-CB 4.1Å; F162-A228 HydrophobicContact CG-CB 3.8Å
163	E	98.8	Very high	98.6	Very high	89 Å²	89	44.9 Å²	44.9	42%	0.416	23%	0.228	S	C	.	.	H	α-helix	trans	-48.8	-48.2	-174.1	-70	171.8	-167.8	0	0	113.6	S159 K160 T165 I166 K167	S159-E163 PolarHBondContact O-N 2.86Å; K160-E163 WeakPolarHBondContact CD-OE2 3.37Å; K160-E163 WeakPolarHBondContact CE-OE2 3.37Å; K160-E163 IonicContact NZ-OE1 3.98Å; K160-E163 IonicContact NZ-OE2 3.51Å; K160-E163 PolarHBondContact NZ-OE2 2.94Å; E163-T165 PolarHBondContact O-N 3.46Å; E163-I166 PolarHBondContact O-N 3.13Å; E163-K167 PolarHBondContact O-N 3.07Å; E163-K167 VanDerWaalsContact O-N 3.13Å
164	P	98.8	Very high	98.5	Very high	30 Å²	30	48 Å²	48	20%	0.195	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-44	-178.9	-20.2	33.9	0	0	0	111.9	I56 M60 F162 K167 L168	I56-P164 HydrophobicContact CD1-CB 3.89Å; I56-P164 HydrophobicContact CG1-CB 4.05Å; I56-P164 HydrophobicContact CG2-CB 4.05Å; I56-P164 HydrophobicContact CG2-CG 4.15Å; M60-P164 HydrophobicContact CE-CG 3.83Å; F162-P164 VanDerWaalsContact C-CD 3.46Å; P164-K167 WeakPolarHBondContact O-CB 3.42Å; P164-K167 PolarHBondContact O-N 2.98Å; P164-L168 WeakPolarHBondContact O-CG 3.04Å; P164-L168 PolarHBondContact O-N 3.5Å
165	T	98.8	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.3	-38.9	-177.8	-55.5	0	0	0	0	111.9	L76 C77 V80 F162 E163 K167 L168 A169 L224	L76-T165 HydrophobicContact CB-CG2 4.23Å; L76-T165 WeakPolarHBondContact O-CG2 3.25Å; C77-T165 WeakPolarHBondContact CA-OG1 3.47Å; C77-T165 PolarHBondContact N-OG1 3.02Å; C77-T165 VanDerWaalsContact N-OG1 3.11Å; V80-T165 HydrophobicContact CG2-CG2 3.78Å; F162-T165 PolarHBondContact O-N 2.88Å; F162-T165 VanDerWaalsContact O-N 3.09Å; E163-T165 PolarHBondContact O-N 3.46Å; T165-K167 VanDerWaalsContact C-N 3.27Å; T165-K167 PolarHBondContact O-N 2.87Å; T165-L168 PolarHBondContact O-N 3.47Å; T165-A169 VanDerWaalsContact O-CB 3.29Å; T165-A169 WeakPolarHBondContact O-CB 3.4Å; T165-A169 PolarHBondContact O-N 3.09Å; T165-L224 HydrophobicContact CG2-CD1 3.67Å
166	I	98.9	Very high	98.2	Very high	16 Å²	16	42.3 Å²	42.3	8%	0.082	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-45.3	173.6	-70.2	164.4	0	0	0	109.7	F162 E163 A169 R170 A221 L224 E225 A228	F162-I166 HydrophobicContact CB-CD1 3.7Å; F162-I166 HydrophobicContact CB-CG1 4.26Å; F162-I166 WeakPolarHBondContact O-CG1 3.31Å; F162-I166 PolarHBondContact O-N 3.33Å; E163-I166 PolarHBondContact O-N 3.13Å; I166-A169 PolarHBondContact O-N 3.42Å; I166-R170 WeakPolarHBondContact O-CB 3.5Å; I166-R170 PolarHBondContact O-N 3.26Å; I166-A221 HydrophobicContact CG2-CB 4.49Å; I166-L224 HydrophobicContact CD1-CB 4.29Å; I166-L224 HydrophobicContact CG1-CB 3.63Å; I166-E225 HydrophobicContact CD1-CB 4.1Å; I166-A228 HydrophobicContact CD1-CB 4.24Å
167	K	98.8	Very high	97.9	Very high	117 Å²	117	44.6 Å²	44.6	51%	0.509	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-51.4	176.9	-172.7	-178.5	178.3	-177.6	0	111.4	E163 P164 T165 A169 R170 E171	E163-K167 PolarHBondContact O-N 3.07Å; E163-K167 VanDerWaalsContact O-N 3.13Å; P164-K167 WeakPolarHBondContact O-CB 3.42Å; P164-K167 PolarHBondContact O-N 2.98Å; T165-K167 VanDerWaalsContact C-N 3.27Å; T165-K167 PolarHBondContact O-N 2.87Å; K167-A169 PolarHBondContact O-N 3.41Å; K167-R170 PolarHBondContact O-N 3.45Å; K167-E171 WeakPolarHBondContact CE-OE1 2.76Å; K167-E171 WeakPolarHBondContact CE-OE2 3.23Å; K167-E171 VanDerWaalsContact CG-CD 3.49Å; K167-E171 HydrophobicContact CG-CG 4.27Å; K167-E171 WeakPolarHBondContact CG-OE1 3.32Å; K167-E171 WeakPolarHBondContact O-CB 3.39Å; K167-E171 PolarHBondContact O-N 2.97Å
168	L	98.7	Very high	97.4	Very high	32 Å²	32	42 Å²	42	17%	0.168	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-44.4	178.7	-66.5	175.8	0	0	0	112.3	L52 I56 V80 P164 T165 R170 G172 I173	L52-L168 HydrophobicContact CD2-CD1 4.01Å; L52-L168 HydrophobicContact CD2-CD2 4.34Å; L52-L168 HydrophobicContact CG-CD1 4.46Å; I56-L168 HydrophobicContact CD1-CD1 3.73Å; V80-L168 HydrophobicContact CG1-CB 4.41Å; P164-L168 WeakPolarHBondContact O-CG 3.04Å; P164-L168 PolarHBondContact O-N 3.5Å; T165-L168 PolarHBondContact O-N 3.47Å; L168-R170 VanDerWaalsContact C-N 3.34Å; L168-R170 PolarHBondContact O-N 2.88Å; L168-G172 CarbonylContact O-C 3.58Å; L168-G172 VanDerWaalsContact O-CA 3.29Å; L168-G172 WeakPolarHBondContact O-CA 3.5Å; L168-G172 PolarHBondContact O-N 2.89Å; L168-I173 HydrophobicContact CB-CG2 4.14Å; L168-I173 HydrophobicContact CD2-CG2 3.73Å; L168-I173 HydrophobicContact CG-CG2 4.45Å
169	A	98.6	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-37.4	179.7	0	0	0	0	0	112.3	V80 T165 I166 K167 F217 A221	V80-A169 HydrophobicContact CG2-CB 4.01Å; T165-A169 VanDerWaalsContact O-CB 3.29Å; T165-A169 WeakPolarHBondContact O-CB 3.4Å; T165-A169 PolarHBondContact O-N 3.09Å; I166-A169 PolarHBondContact O-N 3.42Å; K167-A169 PolarHBondContact O-N 3.41Å; A169-F217 HydrophobicContact CB-CB 4.11Å; A169-F217 CarbonylContact O-C 3.34Å; A169-F217 VanDerWaalsContact O-C 3.29Å; A169-F217 PolarHBondContact O-N 3.22Å; A169-A221 HydrophobicContact CB-CB 3.76Å
170	R	98.6	Very high	96.9	Very high	98 Å²	98	38.7 Å²	38.7	37%	0.37	20%	0.199	S	C	.	.	H	α-helix	trans	-79.1	-45.6	-177.8	-175.2	170.1	-66.3	151.2	1.6	113.2	I166 K167 L168 Q216 A221 E225	I166-R170 WeakPolarHBondContact O-CB 3.5Å; I166-R170 PolarHBondContact O-N 3.26Å; K167-R170 PolarHBondContact O-N 3.45Å; L168-R170 VanDerWaalsContact C-N 3.34Å; L168-R170 PolarHBondContact O-N 2.88Å; R170-Q216 PolarHBondContact O-NE2 2.82Å; R170-A221 HydrophobicContact CB-CB 3.85Å; R170-E225 IonicContact CZ-OE2 3.98Å; R170-E225 IonicContact NH1-OE1 3.77Å; R170-E225 IonicContact NH1-OE2 3.19Å; R170-E225 IonicContact NH2-OE1 2.76Å; R170-E225 IonicContact NH2-OE2 2.86Å; R170-E225 PolarHBondContact NH2-OE2 3.38Å
171	E	98.1	Very high	96.4	Very high	128 Å²	128	42.9 Å²	42.9	60%	0.598	21%	0.214	S	C	*	.	H	α-helix	trans	-79.1	-25.4	-179.1	-66.3	177	-173.8	0	0	111.6	K167	K167-E171 WeakPolarHBondContact CE-OE1 2.76Å; K167-E171 WeakPolarHBondContact CE-OE2 3.23Å; K167-E171 VanDerWaalsContact CG-CD 3.49Å; K167-E171 HydrophobicContact CG-CG 4.27Å; K167-E171 WeakPolarHBondContact CG-OE1 3.32Å; K167-E171 WeakPolarHBondContact O-CB 3.39Å; K167-E171 PolarHBondContact O-N 2.97Å
172	G	97.8	Very high	95.8	Very high	17 Å²	17	43.5 Å²	43.5	18%	0.175	22%	0.216	C	C	.	.			trans	83.1	159.9	-173.1	0	0	0	0	0	112.2	L168 L215	L168-G172 CarbonylContact O-C 3.58Å; L168-G172 VanDerWaalsContact O-CA 3.29Å; L168-G172 WeakPolarHBondContact O-CA 3.5Å; L168-G172 PolarHBondContact O-N 2.89Å; G172-L215 CarbonylContact C-O 3.48Å; G172-L215 WeakPolarHBondContact CA-O 3.27Å
173	I	97.4	Very high	95.3	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.7	176.9	60.6	173	0	0	0	109.8	V80 V81 L168 L175 P176 L215	V80-I173 HydrophobicContact CG1-CD1 4.02Å; V80-I173 HydrophobicContact CG1-CG1 4.46Å; V81-I173 HydrophobicContact CG2-CD1 4.09Å; L168-I173 HydrophobicContact CB-CG2 4.14Å; L168-I173 HydrophobicContact CD2-CG2 3.73Å; L168-I173 HydrophobicContact CG-CG2 4.45Å; I173-L175 PolarHBondContact O-N 3.28Å; I173-P176 HydrophobicContact CD1-CG 3.71Å; I173-L215 HydrophobicContact CG1-CB 4.44Å; I173-L215 PolarHBondContact N-O 2.9Å; I173-L215 PolarHBondContact O-N 3.22Å
174	P	96.9	Very high	94.9	Very high	97 Å²	97	44.7 Å²	44.7	63%	0.63	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	138.3	165.6	-22.1	33.1	0	0	0	109.9	P176 D213	P174-P176 WeakPolarHBondContact O-CD 3.3Å; P174-D213 WeakPolarHBondContact CA-O 3.17Å
175	L	96.3	Very high	94.4	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.234	C	C	.	.			trans	-52.3	115.6	-178.2	-172.4	71.1	0	0	0	110	I173 L179 A180 M183 L209 R210 D213 L215	I173-L175 PolarHBondContact O-N 3.28Å; L175-L179 HydrophobicContact CD1-CD2 3.62Å; L175-L179 HydrophobicContact CD1-CG 4.02Å; L175-A180 HydrophobicContact CD2-CB 3.78Å; L175-A180 HydrophobicContact CG-CB 4.21Å; L175-M183 HydrophobicContact CD1-CE 4.45Å; L175-M183 HydrophobicContact CD1-SD 3.81Å; L175-M183 HydrophobicContact CD2-CE 4.35Å; L175-M183 HydrophobicContact CD2-SD 3.93Å; L175-M183 HydrophobicContact CG-SD 4.4Å; L175-L209 HydrophobicContact CD1-CB 4.42Å; L175-L209 HydrophobicContact CD2-CB 4.12Å; L175-R210 WeakPolarHBondContact CD2-O 3.38Å; L175-D213 PolarHBondContact N-O 2.76Å; L175-L215 HydrophobicContact CD1-CB 4.16Å; L175-L215 HydrophobicContact CD1-CD2 4.07Å
176	P	95	Very high	93.9	Very high	14 Å²	14	54.8 Å²	54.8	9%	0.091	27%	0.272	C	S	.	.			trans	-58.3	137.5	-173.2	-32	40.2	0	0	0	111.9	V81 I173 P174 Y178 L179 A180	V81-P176 HydrophobicContact CG1-CB 4.28Å; V81-P176 HydrophobicContact CG1-CG 4.12Å; V81-P176 WeakPolarHBondContact O-CG 3.32Å; I173-P176 HydrophobicContact CD1-CG 3.71Å; P174-P176 WeakPolarHBondContact O-CD 3.3Å; P176-Y178 VanDerWaalsContact C-N 3.25Å; P176-Y178 PolarHBondContact O-N 2.87Å; P176-Y178 VanDerWaalsContact O-N 3.17Å; P176-L179 HydrophobicContact CB-CB 4.27Å; P176-L179 PolarHBondContact O-N 2.84Å; P176-A180 PolarHBondContact O-N 2.93Å
177	P	91.6	Very high	93.4	Very high	76 Å²	76	58.6 Å²	58.6	49%	0.494	29%	0.291	S	S	.	.	H	α-helix	trans	-56.7	-38	-174.2	-27.8	34.5	0	0	0	113.8	A180 R181 M211 L566	P177-A180 PolarHBondContact O-N 3.11Å; P177-R181 PolarHBondContact O-N 2.85Å; P177-R181 VanDerWaalsContact O-N 3.13Å; P177-M211 HydrophobicContact CB-CE 4.47Å; P177-L566 HydrophobicContact CB-CD1 3.98Å
178	Y	89.2	Confident	92.9	Very high	15 Å²	15	53.3 Å²	53.3	6%	0.059	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-46.8	176.8	-177.1	-109.7	0	0	0	111.7	P176 R181 F182 L544 K565	P176-Y178 VanDerWaalsContact C-N 3.25Å; P176-Y178 PolarHBondContact O-N 2.87Å; P176-Y178 VanDerWaalsContact O-N 3.17Å; Y178-R181 WeakPolarHBondContact O-CB 3.27Å; Y178-R181 PolarHBondContact O-N 2.98Å; Y178-F182 HydrophobicContact CD1-CD2 4.49Å; Y178-F182 AromaticContact CD1-CE2 3.85Å; Y178-F182 HydrophobicContact CD1-CE2 3.85Å; Y178-F182 HydrophobicContact CD2-CE2 4.07Å; Y178-F182 HydrophobicContact CE1-CD2 4.28Å; Y178-F182 AromaticContact CE1-CE2 3.34Å; Y178-F182 HydrophobicContact CE1-CE2 3.34Å; Y178-F182 AromaticContact CE1-CZ 4Å; Y178-F182 HydrophobicContact CE1-CZ 4Å; Y178-F182 AromaticContact CE2-CE2 3.59Å; Y178-F182 HydrophobicContact CE2-CE2 3.59Å; Y178-F182 AromaticContact CE2-CZ 3.96Å; Y178-F182 HydrophobicContact CE2-CZ 3.96Å; Y178-F182 HydrophobicContact CG-CE2 4.18Å; Y178-F182 AromaticContact CZ-CE2 3.17Å; Y178-F182 AromaticContact CZ-CZ 3.46Å; Y178-F182 VanDerWaalsContact CZ-CZ 3.46Å; Y178-F182 WeakPolarHBondContact O-CD2 3.41Å; Y178-F182 WeakPolarHBondContact OH-CE2 3.44Å; Y178-F182 VanDerWaalsContact OH-CZ 3.24Å; Y178-F182 WeakPolarHBondContact OH-CZ 3.39Å; Y178-L544 HydrophobicContact CE2-CD2 3.94Å; Y178-K565 HydrophobicContact CD1-CG 4.25Å; Y178-K565 HydrophobicContact CD2-CB 4.34Å; Y178-K565 HydrophobicContact CD2-CG 4.07Å; Y178-K565 HydrophobicContact CE1-CD 3.95Å; Y178-K565 HydrophobicContact CE1-CG 3.73Å; Y178-K565 HydrophobicContact CE2-CB 4.25Å; Y178-K565 HydrophobicContact CE2-CG 3.53Å; Y178-K565 HydrophobicContact CG-CG 4.4Å; Y178-K565 VanDerWaalsContact OH-CE 3.31Å; Y178-K565 WeakPolarHBondContact OH-CE 3.39Å
179	L	93	Very high	92.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-44.8	175	171.5	58.3	0	0	0	111.6	P83 Q84 L175 P176 R181 F182 M183 F201 L215 F409	P83-L179 HydrophobicContact CG-CD2 3.92Å; Q84-L179 HydrophobicContact CB-CD1 4.19Å; Q84-L179 HydrophobicContact CG-CD1 4.24Å; L175-L179 HydrophobicContact CD1-CD2 3.62Å; L175-L179 HydrophobicContact CD1-CG 4.02Å; P176-L179 HydrophobicContact CB-CB 4.27Å; P176-L179 PolarHBondContact O-N 2.84Å; L179-R181 PolarHBondContact O-N 2.86Å; L179-F182 WeakPolarHBondContact O-CB 3.21Å; L179-F182 PolarHBondContact O-N 3.15Å; L179-M183 HydrophobicContact CD1-CG 3.99Å; L179-M183 HydrophobicContact CD1-SD 3.75Å; L179-M183 HydrophobicContact CD2-SD 4.18Å; L179-M183 HydrophobicContact CG-CG 4.38Å; L179-M183 HydrophobicContact CG-SD 3.67Å; L179-M183 PolarHBondContact O-N 2.95Å; L179-M183 VanDerWaalsContact O-N 3.11Å; L179-F201 HydrophobicContact CD2-CE1 4.04Å; L179-L215 HydrophobicContact CD2-CD2 3.72Å; L179-F409 HydrophobicContact CD1-CE1 4.17Å; L179-F409 HydrophobicContact CD1-CZ 3.69Å
180	A	92.3	Very high	92.2	Very high	7 Å²	7	57.7 Å²	57.7	6%	0.058	30%	0.295	C	S	.	.	H	α-helix	trans	-55.6	-39.1	178	0	0	0	0	0	111.8	L175 P176 P177 F182 M183 T184 M211	L175-A180 HydrophobicContact CD2-CB 3.78Å; L175-A180 HydrophobicContact CG-CB 4.21Å; P176-A180 PolarHBondContact O-N 2.93Å; P177-A180 PolarHBondContact O-N 3.11Å; A180-F182 VanDerWaalsContact C-N 3.33Å; A180-F182 PolarHBondContact O-N 2.63Å; A180-M183 PolarHBondContact O-N 3.29Å; A180-T184 WeakPolarHBondContact O-CG2 3.49Å; A180-T184 PolarHBondContact O-N 3.08Å; A180-M211 HydrophobicContact CB-CB 4.35Å; A180-M211 HydrophobicContact CB-CE 4.47Å
181	R	88.4	Confident	91.8	Very high	147 Å²	147	54.3 Å²	54.3	56%	0.555	28%	0.283	S	S	*	.	H	α-helix	trans	-57.1	-43.4	175.7	-172.4	177.6	176.6	-177.7	-1.5	112	P177 Y178 L179 T184	P177-R181 PolarHBondContact O-N 2.85Å; P177-R181 VanDerWaalsContact O-N 3.13Å; Y178-R181 WeakPolarHBondContact O-CB 3.27Å; Y178-R181 PolarHBondContact O-N 2.98Å; L179-R181 PolarHBondContact O-N 2.86Å; R181-T184 PolarHBondContact O-N 3.3Å; R181-T184 PolarHBondContact O-OG1 3.33Å
182	F	86	Confident	91.7	Very high	12 Å²	12	48.2 Å²	48.2	5%	0.053	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-42.2	176.8	-71	-79.2	0	0	0	112.6	Q84 Y178 L179 A180 T184 H185 V188 L408 L544	Q84-F182 HydrophobicContact CG-CD2 4.43Å; Y178-F182 HydrophobicContact CD1-CD2 4.49Å; Y178-F182 AromaticContact CD1-CE2 3.85Å; Y178-F182 HydrophobicContact CD1-CE2 3.85Å; Y178-F182 HydrophobicContact CD2-CE2 4.07Å; Y178-F182 HydrophobicContact CE1-CD2 4.28Å; Y178-F182 AromaticContact CE1-CE2 3.34Å; Y178-F182 HydrophobicContact CE1-CE2 3.34Å; Y178-F182 AromaticContact CE1-CZ 4Å; Y178-F182 HydrophobicContact CE1-CZ 4Å; Y178-F182 AromaticContact CE2-CE2 3.59Å; Y178-F182 HydrophobicContact CE2-CE2 3.59Å; Y178-F182 AromaticContact CE2-CZ 3.96Å; Y178-F182 HydrophobicContact CE2-CZ 3.96Å; Y178-F182 HydrophobicContact CG-CE2 4.18Å; Y178-F182 AromaticContact CZ-CE2 3.17Å; Y178-F182 AromaticContact CZ-CZ 3.46Å; Y178-F182 VanDerWaalsContact CZ-CZ 3.46Å; Y178-F182 WeakPolarHBondContact O-CD2 3.41Å; Y178-F182 WeakPolarHBondContact OH-CE2 3.44Å; Y178-F182 VanDerWaalsContact OH-CZ 3.24Å; Y178-F182 WeakPolarHBondContact OH-CZ 3.39Å; L179-F182 WeakPolarHBondContact O-CB 3.21Å; L179-F182 PolarHBondContact O-N 3.15Å; A180-F182 VanDerWaalsContact C-N 3.33Å; A180-F182 PolarHBondContact O-N 2.63Å; F182-T184 PolarHBondContact O-N 3.23Å; F182-T184 VanDerWaalsContact O-N 3.1Å; F182-H185 WeakPolarHBondContact O-CB 3.06Å; F182-H185 PolarHBondContact O-N 3.45Å; F182-V188 HydrophobicContact CB-CG1 4.22Å; F182-V188 WeakPolarHBondContact O-CB 3.24Å; F182-V188 WeakPolarHBondContact O-CG1 3.38Å; F182-L408 HydrophobicContact CD1-CD1 3.57Å; F182-L408 HydrophobicContact CD1-CD2 4.4Å; F182-L408 HydrophobicContact CE1-CD1 3.81Å; F182-L408 HydrophobicContact CE1-CD2 4.27Å; F182-L408 HydrophobicContact CG-CD1 4.5Å; F182-L544 HydrophobicContact CE1-CD1 3.26Å; F182-L544 HydrophobicContact CE1-CG 4.46Å; F182-L544 HydrophobicContact CZ-CD1 3.32Å; F182-L544 HydrophobicContact CZ-CD2 3.85Å; F182-L544 HydrophobicContact CZ-CG 4.11Å
183	M	90.1	Very high	91.4	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-17.5	-177.3	-67.5	176.2	67.2	0	0	112.4	L175 L179 A180 K189 F201 I208 L209	L175-M183 HydrophobicContact CD1-CE 4.45Å; L175-M183 HydrophobicContact CD1-SD 3.81Å; L175-M183 HydrophobicContact CD2-CE 4.35Å; L175-M183 HydrophobicContact CD2-SD 3.93Å; L175-M183 HydrophobicContact CG-SD 4.4Å; L179-M183 HydrophobicContact CD1-CG 3.99Å; L179-M183 HydrophobicContact CD1-SD 3.75Å; L179-M183 HydrophobicContact CD2-SD 4.18Å; L179-M183 HydrophobicContact CG-CG 4.38Å; L179-M183 HydrophobicContact CG-SD 3.67Å; L179-M183 PolarHBondContact O-N 2.95Å; L179-M183 VanDerWaalsContact O-N 3.11Å; A180-M183 PolarHBondContact O-N 3.29Å; M183-K189 WeakPolarHBondContact O-CB 3.38Å; M183-F201 HydrophobicContact CE-CB 3.88Å; M183-F201 HydrophobicContact CE-CD1 4.25Å; M183-F201 HydrophobicContact CE-CG 4.49Å; M183-F201 WeakPolarHBondContact CE-O 3.25Å; M183-F201 HydrophobicContact SD-CD1 4.32Å; M183-I208 HydrophobicContact CB-CD1 3.74Å; M183-I208 HydrophobicContact CB-CG1 4.18Å; M183-I208 HydrophobicContact CE-CD1 3.8Å; M183-I208 HydrophobicContact CE-CG1 3.25Å; M183-I208 HydrophobicContact CG-CD1 4.09Å; M183-L209 HydrophobicContact CE-CB 3.87Å
184	T	88.8	Confident	91.2	Very high	112 Å²	112	55.7 Å²	55.7	69%	0.687	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-18	171	67.6	0	0	0	0	114.8	A180 R181 F182 K186	A180-T184 WeakPolarHBondContact O-CG2 3.49Å; A180-T184 PolarHBondContact O-N 3.08Å; R181-T184 PolarHBondContact O-N 3.3Å; R181-T184 PolarHBondContact O-OG1 3.33Å; F182-T184 PolarHBondContact O-N 3.23Å; F182-T184 VanDerWaalsContact O-N 3.1Å; T184-K186 PolarHBondContact O-N 2.92Å
185	H	88.8	Confident	91	Very high	61 Å²	61	52.6 Å²	52.6	28%	0.282	27%	0.273	S	S	.	.	S	Bend	trans	-70.9	128.2	-179.3	-176.6	-106	0	0	0	110.8	F182 I187 V188 K189 F542	F182-H185 WeakPolarHBondContact O-CB 3.06Å; F182-H185 PolarHBondContact O-N 3.45Å; H185-I187 VanDerWaalsContact C-N 3.29Å; H185-I187 PolarHBondContact O-N 3.04Å; H185-I187 VanDerWaalsContact O-N 3.1Å; H185-V188 HydrophobicContact CB-CB 4.34Å; H185-V188 HydrophobicContact CB-CG2 4.3Å; H185-V188 PolarHBondContact O-N 2.95Å; H185-K189 WeakPolarHBondContact O-CB 3.24Å; H185-K189 PolarHBondContact O-N 3.24Å; H185-F542 AromaticContact CD2-CE2 3.52Å; H185-F542 AromaticContact CD2-CZ 3.37Å; H185-F542 WeakPolarHBondContact CD2-CZ 3.43Å; H185-F542 AromaticContact NE2-CE2 3.48Å; H185-F542 WeakPolarHBondContact NE2-CE2 3.39Å; H185-F542 AromaticContact NE2-CZ 3.85Å
186	K	88.8	Confident	91	Very high	181 Å²	181	54.2 Å²	54.2	79%	0.787	29%	0.285	S	S	*	.	H	α-helix	trans	-50.2	-43.8	-171.6	-173.7	-180	178.7	-178.3	0	114	T184 A190	T184-K186 PolarHBondContact O-N 2.92Å; K186-A190 WeakPolarHBondContact O-CB 3.1Å; K186-A190 PolarHBondContact O-N 3.37Å; K186-A190 VanDerWaalsContact O-N 3.14Å
187	I	87.4	Confident	91.1	Very high	96 Å²	96	53.5 Å²	53.5	49%	0.492	28%	0.281	S	S	.	.	H	α-helix	trans	-68.4	-46	-179.4	-60	-179.9	0	0	0	110.7	H185 A190 Y191	H185-I187 VanDerWaalsContact C-N 3.29Å; H185-I187 PolarHBondContact O-N 3.04Å; H185-I187 VanDerWaalsContact O-N 3.1Å; I187-A190 PolarHBondContact O-N 3.07Å; I187-Y191 VanDerWaalsContact O-CB 3.27Å; I187-Y191 WeakPolarHBondContact O-CB 3.36Å; I187-Y191 PolarHBondContact O-N 3.38Å
188	V	89.8	Confident	91.3	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.036	26%	0.26	C	S	.	.	H	α-helix	trans	-69.7	-40.7	-178	176.6	0	0	0	0	110.7	F182 H185 Y191 V192 L408 F409	F182-V188 HydrophobicContact CB-CG1 4.22Å; F182-V188 WeakPolarHBondContact O-CB 3.24Å; F182-V188 WeakPolarHBondContact O-CG1 3.38Å; H185-V188 HydrophobicContact CB-CB 4.34Å; H185-V188 HydrophobicContact CB-CG2 4.3Å; H185-V188 PolarHBondContact O-N 2.95Å; V188-Y191 WeakPolarHBondContact O-CB 3.45Å; V188-Y191 PolarHBondContact O-N 3.02Å; V188-V192 HydrophobicContact CG1-CG2 4.42Å; V188-V192 WeakPolarHBondContact O-CG2 3.5Å; V188-V192 PolarHBondContact O-N 3.4Å; V188-L408 HydrophobicContact CG2-CD1 4.1Å; V188-F409 HydrophobicContact CG1-CD2 4.39Å; V188-F409 HydrophobicContact CG1-CE2 3.72Å
189	K	91.9	Very high	91.6	Very high	75 Å²	75	54.8 Å²	54.8	33%	0.326	28%	0.281	S	S	.	.	H	α-helix	trans	-56.2	-52.9	175.3	-178.5	175.5	175.3	-174.2	0	111.3	M183 H185 Y191 V192 E193 I208	M183-K189 WeakPolarHBondContact O-CB 3.38Å; H185-K189 WeakPolarHBondContact O-CB 3.24Å; H185-K189 PolarHBondContact O-N 3.24Å; K189-Y191 VanDerWaalsContact C-N 3.3Å; K189-Y191 PolarHBondContact O-N 3.02Å; K189-V192 PolarHBondContact O-N 2.98Å; K189-E193 WeakPolarHBondContact CE-OE1 3.41Å; K189-E193 VanDerWaalsContact CE-OE2 3.29Å; K189-E193 WeakPolarHBondContact CE-OE2 3.46Å; K189-E193 HydrophobicContact CG-CG 4.39Å; K189-E193 IonicContact NZ-OE1 3.17Å; K189-E193 WeakPolarHBondContact O-CB 3.19Å; K189-E193 WeakPolarHBondContact O-CG 3.43Å; K189-E193 PolarHBondContact O-N 3.05Å; K189-I208 HydrophobicContact CB-CD1 4.31Å; K189-I208 HydrophobicContact CD-CG2 4.18Å; K189-I208 HydrophobicContact CG-CD1 4.03Å; K189-I208 HydrophobicContact CG-CG2 4.15Å
190	A	90.6	Very high	91.7	Very high	48 Å²	48	55.5 Å²	55.5	40%	0.397	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-43.9	177.7	0	0	0	0	0	111.1	K186 I187 V192 E193 T194	K186-A190 WeakPolarHBondContact O-CB 3.1Å; K186-A190 PolarHBondContact O-N 3.37Å; K186-A190 VanDerWaalsContact O-N 3.14Å; I187-A190 PolarHBondContact O-N 3.07Å; A190-V192 VanDerWaalsContact C-N 3.29Å; A190-V192 PolarHBondContact O-N 2.86Å; A190-E193 PolarHBondContact O-N 3.41Å; A190-T194 WeakPolarHBondContact O-CG2 3.07Å; A190-T194 PolarHBondContact O-N 2.77Å; A190-T194 PolarHBondContact O-OG1 3.43Å
191	Y	90.3	Very high	92	Very high	27 Å²	27	55.1 Å²	55.1	11%	0.106	28%	0.283	C	S	.	.	H	α-helix	trans	-56.7	-40.7	177.9	-168.8	-113.8	0	0	0	113.3	L130 A132 I187 V188 K189 S195 L197 F409 G410 G411 A412	L130-Y191 HydrophobicContact CB-CD2 4.17Å; L130-Y191 HydrophobicContact CB-CE1 4.32Å; L130-Y191 HydrophobicContact CB-CE2 3.74Å; L130-Y191 HydrophobicContact CD1-CD1 3.55Å; L130-Y191 HydrophobicContact CD1-CD2 4.01Å; L130-Y191 HydrophobicContact CD1-CE1 3.78Å; L130-Y191 HydrophobicContact CD1-CE2 4.23Å; L130-Y191 HydrophobicContact CD1-CG 3.66Å; A132-Y191 HydrophobicContact CB-CE2 3.51Å; I187-Y191 VanDerWaalsContact O-CB 3.27Å; I187-Y191 WeakPolarHBondContact O-CB 3.36Å; I187-Y191 PolarHBondContact O-N 3.38Å; V188-Y191 WeakPolarHBondContact O-CB 3.45Å; V188-Y191 PolarHBondContact O-N 3.02Å; K189-Y191 VanDerWaalsContact C-N 3.3Å; K189-Y191 PolarHBondContact O-N 3.02Å; Y191-S195 VanDerWaalsContact O-CB 3.3Å; Y191-S195 WeakPolarHBondContact O-CB 3.48Å; Y191-S195 PolarHBondContact O-OG 3.26Å; Y191-L197 HydrophobicContact CD1-CD1 4.23Å; Y191-L197 HydrophobicContact CE1-CD1 4.29Å; Y191-F409 HydrophobicContact CE1-CB 4.27Å; Y191-G410 PolarHBondContact OH-O 2.71Å; Y191-G411 VanDerWaalsContact OH-C 3.28Å; Y191-A412 HydrophobicContact CD1-CB 4.1Å; Y191-A412 HydrophobicContact CD2-CB 4.46Å; Y191-A412 HydrophobicContact CE1-CB 3.41Å; Y191-A412 VanDerWaalsContact CE1-CB 3.41Å; Y191-A412 HydrophobicContact CE2-CB 3.83Å; Y191-A412 VanDerWaalsContact OH-CB 3.28Å; Y191-A412 WeakPolarHBondContact OH-CB 3.43Å; Y191-A412 PolarHBondContact OH-N 3.38Å
192	V	94.4	Very high	92.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-73	-49.7	176.1	171.2	0	0	0	0	111.3	V188 K189 A190 T194 S195 L197 C198 F201 I208 F409	V188-V192 HydrophobicContact CG1-CG2 4.42Å; V188-V192 WeakPolarHBondContact O-CG2 3.5Å; V188-V192 PolarHBondContact O-N 3.4Å; K189-V192 PolarHBondContact O-N 2.98Å; A190-V192 VanDerWaalsContact C-N 3.29Å; A190-V192 PolarHBondContact O-N 2.86Å; V192-T194 VanDerWaalsContact C-N 3.29Å; V192-T194 PolarHBondContact O-N 2.69Å; V192-S195 PolarHBondContact O-N 3Å; V192-S195 PolarHBondContact O-OG 3.37Å; V192-L197 HydrophobicContact CG1-CB 4.26Å; V192-L197 HydrophobicContact CG2-CD1 4.16Å; V192-C198 WeakPolarHBondContact O-CB 3.48Å; V192-C198 PolarHBondContact O-N 3.49Å; V192-F201 HydrophobicContact CG1-CB 3.55Å; V192-F201 HydrophobicContact CG1-CG 4.46Å; V192-I208 HydrophobicContact CB-CD1 3.91Å; V192-I208 HydrophobicContact CG1-CD1 3.9Å; V192-I208 HydrophobicContact CG1-CG1 4.23Å; V192-I208 HydrophobicContact CG2-CD1 4.39Å; V192-F409 HydrophobicContact CG2-CD2 4.24Å; V192-F409 HydrophobicContact CG2-CE2 3.88Å; V192-F409 HydrophobicContact CG2-CZ 4.15Å
193	E	93.1	Very high	92.7	Very high	66 Å²	66	50.9 Å²	50.9	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-65.7	-29	-174.6	-72.6	178.5	160	0	0	113.1	K189 A190 I208	K189-E193 WeakPolarHBondContact CE-OE1 3.41Å; K189-E193 VanDerWaalsContact CE-OE2 3.29Å; K189-E193 WeakPolarHBondContact CE-OE2 3.46Å; K189-E193 HydrophobicContact CG-CG 4.39Å; K189-E193 IonicContact NZ-OE1 3.17Å; K189-E193 WeakPolarHBondContact O-CB 3.19Å; K189-E193 WeakPolarHBondContact O-CG 3.43Å; K189-E193 PolarHBondContact O-N 3.05Å; A190-E193 PolarHBondContact O-N 3.41Å; E193-I208 HydrophobicContact CG-CB 4.16Å; E193-I208 PolarHBondContact OE1-N 2.77Å
194	T	91.8	Very high	92.7	Very high	123 Å²	123	61.2 Å²	61.2	76%	0.755	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	8.9	-178.5	70.9	0	0	0	0	114.2	A190 V192	A190-T194 WeakPolarHBondContact O-CG2 3.07Å; A190-T194 PolarHBondContact O-N 2.77Å; A190-T194 PolarHBondContact O-OG1 3.43Å; V192-T194 VanDerWaalsContact C-N 3.29Å; V192-T194 PolarHBondContact O-N 2.69Å
195	S	94.4	Very high	92.8	Very high	31 Å²	31	61.1 Å²	61.1	22%	0.217	31%	0.313	C	S	.	.	S	Bend	trans	-126.9	175.2	-179.3	68	0	0	0	0	112.8	Y191 V192 L197 C198	Y191-S195 VanDerWaalsContact O-CB 3.3Å; Y191-S195 WeakPolarHBondContact O-CB 3.48Å; Y191-S195 PolarHBondContact O-OG 3.26Å; V192-S195 PolarHBondContact O-N 3Å; V192-S195 PolarHBondContact O-OG 3.37Å; S195-L197 PolarHBondContact O-N 2.89Å; S195-L197 VanDerWaalsContact O-N 3.11Å; S195-L197 WeakPolarHBondContact OG-CB 3.24Å; S195-L197 WeakPolarHBondContact OG-CG 3.42Å; S195-L197 PolarHBondContact OG-N 3.4Å; S195-C198 WeakPolarHBondContact O-CB 3.34Å; S195-C198 PolarHBondContact O-N 2.77Å; S195-C198 VanDerWaalsContact O-N 3.1Å
196	S	94.8	Very high	92.7	Very high	38 Å²	38	64.7 Å²	64.7	27%	0.266	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.1	174.3	60.2	0	0	0	0	113.4	C198 E199 A412 Y414	S196-C198 PolarHBondContact O-N 2.96Å; S196-C198 VanDerWaalsContact O-N 3.17Å; S196-E199 WeakPolarHBondContact O-CB 3.25Å; S196-E199 WeakPolarHBondContact O-CG 3.47Å; S196-E199 PolarHBondContact O-N 2.55Å; S196-E199 VanDerWaalsContact O-N 3.09Å; S196-A412 PolarHBondContact OG-O 3.27Å; S196-Y414 PolarHBondContact OG-N 2.97Å
197	L	96.6	Very high	92.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.2	173.2	-63.4	176.4	0	0	0	112.8	Y191 V192 S195 E199 V200 F201 F409 A412 I421	Y191-L197 HydrophobicContact CD1-CD1 4.23Å; Y191-L197 HydrophobicContact CE1-CD1 4.29Å; V192-L197 HydrophobicContact CG1-CB 4.26Å; V192-L197 HydrophobicContact CG2-CD1 4.16Å; S195-L197 PolarHBondContact O-N 2.89Å; S195-L197 VanDerWaalsContact O-N 3.11Å; S195-L197 WeakPolarHBondContact OG-CB 3.24Å; S195-L197 WeakPolarHBondContact OG-CG 3.42Å; S195-L197 PolarHBondContact OG-N 3.4Å; L197-E199 PolarHBondContact O-N 3.01Å; L197-E199 VanDerWaalsContact O-N 3.08Å; L197-V200 PolarHBondContact O-N 3.04Å; L197-F201 HydrophobicContact CB-CD2 4.02Å; L197-F201 HydrophobicContact CD2-CD2 4.43Å; L197-F201 HydrophobicContact CD2-CE2 4.2Å; L197-F201 WeakPolarHBondContact O-CD2 3.29Å; L197-F201 PolarHBondContact O-N 2.83Å; L197-F409 HydrophobicContact CD1-CB 3.48Å; L197-F409 VanDerWaalsContact CD1-CB 3.48Å; L197-F409 HydrophobicContact CD1-CD1 4.24Å; L197-F409 HydrophobicContact CD1-CD2 4.35Å; L197-F409 HydrophobicContact CD1-CG 3.81Å; L197-F409 HydrophobicContact CD2-CB 4.18Å; L197-F409 HydrophobicContact CD2-CD1 4.4Å; L197-A412 HydrophobicContact CD1-CB 3.74Å; L197-A412 HydrophobicContact CG-CB 4.16Å; L197-I421 HydrophobicContact CD2-CD1 4.4Å; L197-I421 HydrophobicContact CD2-CG1 4.24Å; L197-I421 HydrophobicContact CD2-CG2 4.08Å
198	C	96.4	Very high	93.2	Very high	9 Å²	9	54.3 Å²	54.3	6%	0.061	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-14	179.1	-163.4	0	0	0	0	113	V192 S195 S196 V200 C202	V192-C198 WeakPolarHBondContact O-CB 3.48Å; V192-C198 PolarHBondContact O-N 3.49Å; S195-C198 WeakPolarHBondContact O-CB 3.34Å; S195-C198 PolarHBondContact O-N 2.77Å; S195-C198 VanDerWaalsContact O-N 3.1Å; S196-C198 PolarHBondContact O-N 2.96Å; S196-C198 VanDerWaalsContact O-N 3.17Å; C198-V200 PolarHBondContact O-N 2.87Å; C198-C202 WeakPolarHBondContact CA-SG 3.36Å; C198-C202 HydrophobicContact CB-CB 4.11Å; C198-C202 WeakPolarHBondContact CB-SG 3.12Å; C198-C202 WeakPolarHBondContact O-CB 3.47Å; C198-C202 PolarHBondContact O-N 3.34Å; C198-C202 WeakPolarHBondContact SG-CB 3.45Å; C198-C202 CovalentContact SG-SG 2.05Å; C198-C202 PolarHBondContact SG-SG 2.87Å
199	E	95.2	Very high	93.5	Very high	109 Å²	109	54.5 Å²	54.5	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-64.7	-28.8	170.9	-67.1	-174.5	-157.1	0	0	113.3	S196 L197 Y414	S196-E199 WeakPolarHBondContact O-CB 3.25Å; S196-E199 WeakPolarHBondContact O-CG 3.47Å; S196-E199 PolarHBondContact O-N 2.55Å; S196-E199 VanDerWaalsContact O-N 3.09Å; L197-E199 PolarHBondContact O-N 3.01Å; L197-E199 VanDerWaalsContact O-N 3.08Å; E199-Y414 HydrophobicContact CB-CD1 4.07Å; E199-Y414 HydrophobicContact CB-CE1 4Å; E199-Y414 WeakPolarHBondContact OE2-CE1 3.35Å
200	V	96.4	Very high	93.6	Very high	14 Å²	14	58.8 Å²	58.8	9%	0.085	30%	0.298	C	S	.	.	H	α-helix	trans	-111.5	-35.8	-177.5	-177.9	0	0	0	0	112	L197 C198 L215 F217 Y414	L197-V200 PolarHBondContact O-N 3.04Å; C198-V200 PolarHBondContact O-N 2.87Å; V200-L215 HydrophobicContact CG1-CD1 3.86Å; V200-F217 HydrophobicContact CG1-CD1 3.77Å; V200-F217 HydrophobicContact CG1-CE1 3.55Å; V200-F217 HydrophobicContact CG1-CE2 4.44Å; V200-F217 HydrophobicContact CG1-CG 4.29Å; V200-F217 HydrophobicContact CG1-CZ 3.9Å; V200-Y414 HydrophobicContact CG2-CD1 4.3Å; V200-Y414 HydrophobicContact CG2-CD2 3.99Å; V200-Y414 HydrophobicContact CG2-CE1 3.76Å; V200-Y414 HydrophobicContact CG2-CE2 3.4Å; V200-Y414 HydrophobicContact CG2-CG 4.4Å; V200-Y414 WeakPolarHBondContact CG2-OH 3.27Å
201	F	97.3	Very high	93.7	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-102	9.2	-172.2	-62	-72.7	0	0	0	114	P83 L179 M183 V192 L197 I208 L209 L215 F217 F409 I421	P83-F201 HydrophobicContact CB-CZ 3.97Å; P83-F201 HydrophobicContact CG-CE1 3.73Å; P83-F201 HydrophobicContact CG-CZ 3.65Å; L179-F201 HydrophobicContact CD2-CE1 4.04Å; M183-F201 HydrophobicContact CE-CB 3.88Å; M183-F201 HydrophobicContact CE-CD1 4.25Å; M183-F201 HydrophobicContact CE-CG 4.49Å; M183-F201 WeakPolarHBondContact CE-O 3.25Å; M183-F201 HydrophobicContact SD-CD1 4.32Å; V192-F201 HydrophobicContact CG1-CB 3.55Å; V192-F201 HydrophobicContact CG1-CG 4.46Å; L197-F201 HydrophobicContact CB-CD2 4.02Å; L197-F201 HydrophobicContact CD2-CD2 4.43Å; L197-F201 HydrophobicContact CD2-CE2 4.2Å; L197-F201 WeakPolarHBondContact O-CD2 3.29Å; L197-F201 PolarHBondContact O-N 2.83Å; F201-I208 WeakPolarHBondContact O-CA 3.21Å; F201-L209 WeakPolarHBondContact O-CG 3.27Å; F201-L209 PolarHBondContact O-N 2.88Å; F201-L215 HydrophobicContact CD1-CD1 3.74Å; F201-L215 HydrophobicContact CE1-CD1 3.7Å; F201-L215 HydrophobicContact CE1-CD2 4.12Å; F201-F217 HydrophobicContact CE1-CZ 4.01Å; F201-F217 HydrophobicContact CZ-CE1 4.13Å; F201-F217 AromaticContact CZ-CZ 3.74Å; F201-F217 HydrophobicContact CZ-CZ 3.74Å; F201-F409 HydrophobicContact CD1-CE1 4.43Å; F201-F409 HydrophobicContact CD2-CE1 4.18Å; F201-F409 HydrophobicContact CE1-CE1 4.01Å; F201-F409 AromaticContact CE2-CD1 3.94Å; F201-F409 HydrophobicContact CE2-CD1 3.94Å; F201-F409 AromaticContact CE2-CE1 3.72Å; F201-F409 HydrophobicContact CE2-CE1 3.72Å; F201-F409 HydrophobicContact CZ-CD1 4.14Å; F201-F409 AromaticContact CZ-CE1 3.63Å; F201-F409 HydrophobicContact CZ-CE1 3.63Å; F201-I421 HydrophobicContact CE2-CD1 3.67Å; F201-I421 HydrophobicContact CZ-CD1 3.81Å
202	C	96.6	Very high	93.8	Very high	15 Å²	15	64.5 Å²	64.5	10%	0.101	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-121	149.9	171.2	-58	0	0	0	0	112.1	C198 T207	C198-C202 WeakPolarHBondContact CA-SG 3.36Å; C198-C202 HydrophobicContact CB-CB 4.11Å; C198-C202 WeakPolarHBondContact CB-SG 3.12Å; C198-C202 WeakPolarHBondContact O-CB 3.47Å; C198-C202 PolarHBondContact O-N 3.34Å; C198-C202 WeakPolarHBondContact SG-CB 3.45Å; C198-C202 CovalentContact SG-SG 2.05Å; C198-C202 PolarHBondContact SG-SG 2.87Å; C202-T207 CarbonylContact C-O 3.2Å; C202-T207 VanDerWaalsContact CA-O 3.22Å; C202-T207 WeakPolarHBondContact CA-O 3.39Å; C202-T207 WeakPolarHBondContact CB-O 3.3Å
203	N	93.9	Very high	93.9	Very high	55 Å²	55	66.8 Å²	66.8	29%	0.294	35%	0.347	S	S	.	.			trans	-63.1	164.8	164.5	-73.9	-58.2	0	0	0	111.2	N205 K206 T207 L209 D213	N203-N205 VanDerWaalsContact CB-OD1 3.23Å; N203-N205 WeakPolarHBondContact CB-OD1 3.48Å; N203-N205 PolarHBondContact O-N 2.88Å; N203-K206 WeakPolarHBondContact O-CA 3.3Å; N203-K206 PolarHBondContact O-N 2.86Å; N203-T207 PolarHBondContact N-O 2.89Å; N203-L209 WeakPolarHBondContact OD1-CD2 3.38Å; N203-D213 PolarHBondContact ND2-OD2 3.29Å
204	K	89.5	Confident	94.1	Very high	219 Å²	219	68 Å²	68	95%	0.952	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.5	178.7	-68.2	-177.6	178.7	178.1	0	113.9	K206	K204-K206 PolarHBondContact O-N 3.12Å
205	N	89.9	Confident	94.4	Very high	111 Å²	111	62.1 Å²	62.1	59%	0.594	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	13.2	175	68.3	-3.2	0	0	0	113.8	N203 T207	N203-N205 VanDerWaalsContact CB-OD1 3.23Å; N203-N205 WeakPolarHBondContact CB-OD1 3.48Å; N203-N205 PolarHBondContact O-N 2.88Å; N205-T207 PolarHBondContact ND2-OG1 3.35Å; N205-T207 PolarHBondContact O-N 3.42Å; N205-T207 WeakPolarHBondContact OD1-CB 3.07Å; N205-T207 PolarHBondContact OD1-N 3.18Å; N205-T207 VanDerWaalsContact OD1-N 3.11Å; N205-T207 PolarHBondContact OD1-OG1 2.97Å
206	K	88.3	Confident	94.5	Very high	136 Å²	136	65 Å²	65	59%	0.591	33%	0.333	S	S	*	.	S	Bend	trans	61.2	21.6	-178.9	-58.1	-66	-173.7	176	0	114.8	N203 K204	N203-K206 WeakPolarHBondContact O-CA 3.3Å; N203-K206 PolarHBondContact O-N 2.86Å; K204-K206 PolarHBondContact O-N 3.12Å
207	T	90.7	Very high	94.7	Very high	50 Å²	50	63.4 Å²	63.4	31%	0.307	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-93.2	138.6	169.8	64	0	0	0	0	110.5	C202 N203 N205	C202-T207 CarbonylContact C-O 3.2Å; C202-T207 VanDerWaalsContact CA-O 3.22Å; C202-T207 WeakPolarHBondContact CA-O 3.39Å; C202-T207 WeakPolarHBondContact CB-O 3.3Å; N203-T207 PolarHBondContact N-O 2.89Å; N205-T207 PolarHBondContact ND2-OG1 3.35Å; N205-T207 PolarHBondContact O-N 3.42Å; N205-T207 WeakPolarHBondContact OD1-CB 3.07Å; N205-T207 PolarHBondContact OD1-N 3.18Å; N205-T207 VanDerWaalsContact OD1-N 3.11Å; N205-T207 PolarHBondContact OD1-OG1 2.97Å
208	I	94.9	Very high	94.7	Very high	9 Å²	9	65.9 Å²	65.9	5%	0.046	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-55.1	141.2	178.5	-161.5	160.3	0	0	0	112.5	M183 K189 V192 E193 F201	M183-I208 HydrophobicContact CB-CD1 3.74Å; M183-I208 HydrophobicContact CB-CG1 4.18Å; M183-I208 HydrophobicContact CE-CD1 3.8Å; M183-I208 HydrophobicContact CE-CG1 3.25Å; M183-I208 HydrophobicContact CG-CD1 4.09Å; K189-I208 HydrophobicContact CB-CD1 4.31Å; K189-I208 HydrophobicContact CD-CG2 4.18Å; K189-I208 HydrophobicContact CG-CD1 4.03Å; K189-I208 HydrophobicContact CG-CG2 4.15Å; V192-I208 HydrophobicContact CB-CD1 3.91Å; V192-I208 HydrophobicContact CG1-CD1 3.9Å; V192-I208 HydrophobicContact CG1-CG1 4.23Å; V192-I208 HydrophobicContact CG2-CD1 4.39Å; E193-I208 HydrophobicContact CG-CB 4.16Å; E193-I208 PolarHBondContact OE1-N 2.77Å; F201-I208 WeakPolarHBondContact O-CA 3.21Å
209	L	96.4	Very high	94.8	Very high	9 Å²	9	69.1 Å²	69.1	5%	0.047	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-60	148.9	175.8	-64.1	173.8	0	0	0	111.1	L175 M183 F201 N203 D213 L215	L175-L209 HydrophobicContact CD1-CB 4.42Å; L175-L209 HydrophobicContact CD2-CB 4.12Å; M183-L209 HydrophobicContact CE-CB 3.87Å; F201-L209 WeakPolarHBondContact O-CG 3.27Å; F201-L209 PolarHBondContact O-N 2.88Å; N203-L209 WeakPolarHBondContact OD1-CD2 3.38Å; L209-D213 WeakPolarHBondContact CA-OD2 3.13Å; L209-D213 HydrophobicContact CB-CB 4.24Å; L209-D213 HydrophobicContact CD2-CB 3.87Å; L209-L215 HydrophobicContact CD1-CB 4.36Å; L209-L215 HydrophobicContact CD1-CD1 3.94Å
210	R	94.2	Very high	94.9	Very high	166 Å²	166	64.3 Å²	64.3	63%	0.626	33%	0.33	S	S	*	.			trans	-121.1	167.2	-179.9	-60.1	-177.4	-175.7	-179.8	1.9	111.2	L175 G212 D213	L175-R210 WeakPolarHBondContact CD2-O 3.38Å; R210-G212 PolarHBondContact O-N 3.39Å; R210-D213 PolarHBondContact N-OD2 3.24Å; R210-D213 VanDerWaalsContact O-CB 3.27Å; R210-D213 WeakPolarHBondContact O-CB 3.23Å; R210-D213 PolarHBondContact O-N 2.6Å
211	M	93.1	Very high	95.1	Very high	136 Å²	136	63.7 Å²	63.7	67%	0.67	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	128.7	173.2	-173.3	-179.2	-65.5	0	0	109.9	P177 A180	P177-M211 HydrophobicContact CB-CE 4.47Å; A180-M211 HydrophobicContact CB-CB 4.35Å; A180-M211 HydrophobicContact CB-CE 4.47Å
212	G	92.2	Very high	95.1	Very high	59 Å²	59	67.7 Å²	67.7	61%	0.608	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-22.6	-174.4	0	0	0	0	0	114.4	R210	R210-G212 PolarHBondContact O-N 3.39Å
213	D	96.4	Very high	95.2	Very high	48 Å²	48	67.1 Å²	67.1	26%	0.257	34%	0.34	S	S	.	.	S	Bend	trans	-68.5	155.8	171.9	-64.3	-17	0	0	0	110.4	P174 L175 N203 L209 R210	P174-D213 WeakPolarHBondContact CA-O 3.17Å; L175-D213 PolarHBondContact N-O 2.76Å; N203-D213 PolarHBondContact ND2-OD2 3.29Å; L209-D213 WeakPolarHBondContact CA-OD2 3.13Å; L209-D213 HydrophobicContact CB-CB 4.24Å; L209-D213 HydrophobicContact CD2-CB 3.87Å; R210-D213 PolarHBondContact N-OD2 3.24Å; R210-D213 VanDerWaalsContact O-CB 3.27Å; R210-D213 WeakPolarHBondContact O-CB 3.23Å; R210-D213 PolarHBondContact O-N 2.6Å
214	T	96.9	Very high	95.5	Very high	91 Å²	91	64.5 Å²	64.5	56%	0.558	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.4	177.1	-57.9	0	0	0	0	110.6
215	L	97.6	Very high	95.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.6	170.1	176.1	63	0	0	0	109.3	P83 G172 I173 L175 L179 V200 F201 L209 F217	P83-L215 HydrophobicContact CG-CD2 4.5Å; G172-L215 CarbonylContact C-O 3.48Å; G172-L215 WeakPolarHBondContact CA-O 3.27Å; I173-L215 HydrophobicContact CG1-CB 4.44Å; I173-L215 PolarHBondContact N-O 2.9Å; I173-L215 PolarHBondContact O-N 3.22Å; L175-L215 HydrophobicContact CD1-CB 4.16Å; L175-L215 HydrophobicContact CD1-CD2 4.07Å; L179-L215 HydrophobicContact CD2-CD2 3.72Å; V200-L215 HydrophobicContact CG1-CD1 3.86Å; F201-L215 HydrophobicContact CD1-CD1 3.74Å; F201-L215 HydrophobicContact CE1-CD1 3.7Å; F201-L215 HydrophobicContact CE1-CD2 4.12Å; L209-L215 HydrophobicContact CD1-CB 4.36Å; L209-L215 HydrophobicContact CD1-CD1 3.94Å; L215-F217 HydrophobicContact CD1-CE2 3.82Å; L215-F217 HydrophobicContact CD1-CZ 4.08Å; L215-F217 HydrophobicContact CD2-CE2 3.65Å; L215-F217 HydrophobicContact CD2-CZ 4.21Å; L215-F217 HydrophobicContact CG-CD2 4.23Å; L215-F217 HydrophobicContact CG-CE2 3.58Å; L215-F217 HydrophobicContact CG-CZ 4.29Å
216	Q	97.4	Very high	96.3	Very high	92 Å²	92	56.6 Å²	56.6	43%	0.43	29%	0.291	S	S	.	.			trans	-134.3	136.9	-175.4	-169.4	-177.8	31.5	0	0	110.9	R170	R170-Q216 PolarHBondContact O-NE2 2.82Å
217	F	97.9	Very high	96.8	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.013	26%	0.263	C	S	.	.			trans	-122.6	61.1	179.8	-67.6	-96.1	0	0	0	110.9	V80 P83 A169 V200 F201 L215 K219 L220 A221 I421	V80-F217 HydrophobicContact CG1-CD2 3.95Å; V80-F217 HydrophobicContact CG1-CE2 4.18Å; P83-F217 HydrophobicContact CB-CE1 4.42Å; P83-F217 HydrophobicContact CB-CZ 3.76Å; P83-F217 HydrophobicContact CG-CE2 4.44Å; P83-F217 HydrophobicContact CG-CZ 3.86Å; A169-F217 HydrophobicContact CB-CB 4.11Å; A169-F217 CarbonylContact O-C 3.34Å; A169-F217 VanDerWaalsContact O-C 3.29Å; A169-F217 PolarHBondContact O-N 3.22Å; V200-F217 HydrophobicContact CG1-CD1 3.77Å; V200-F217 HydrophobicContact CG1-CE1 3.55Å; V200-F217 HydrophobicContact CG1-CE2 4.44Å; V200-F217 HydrophobicContact CG1-CG 4.29Å; V200-F217 HydrophobicContact CG1-CZ 3.9Å; F201-F217 HydrophobicContact CE1-CZ 4.01Å; F201-F217 HydrophobicContact CZ-CE1 4.13Å; F201-F217 AromaticContact CZ-CZ 3.74Å; F201-F217 HydrophobicContact CZ-CZ 3.74Å; L215-F217 HydrophobicContact CD1-CE2 3.82Å; L215-F217 HydrophobicContact CD1-CZ 4.08Å; L215-F217 HydrophobicContact CD2-CE2 3.65Å; L215-F217 HydrophobicContact CD2-CZ 4.21Å; L215-F217 HydrophobicContact CG-CD2 4.23Å; L215-F217 HydrophobicContact CG-CE2 3.58Å; L215-F217 HydrophobicContact CG-CZ 4.29Å; F217-K219 VanDerWaalsContact C-N 3.29Å; F217-K219 PolarHBondContact O-N 3.16Å; F217-L220 HydrophobicContact CB-CB 3.71Å; F217-L220 HydrophobicContact CB-CD2 4.16Å; F217-L220 HydrophobicContact CD1-CD2 4.21Å; F217-L220 HydrophobicContact CG-CD2 4.29Å; F217-L220 WeakPolarHBondContact O-CB 3.46Å; F217-L220 PolarHBondContact O-N 3.4Å; F217-L220 VanDerWaalsContact O-N 3.08Å; F217-A221 PolarHBondContact O-N 2.81Å; F217-I421 HydrophobicContact CE1-CD1 4.26Å
218	S	97.1	Very high	97.2	Very high	52 Å²	52	48.3 Å²	48.3	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-55.9	-41.7	-173.4	-52.3	0	0	0	0	113.2	A221 E222	S218-A221 WeakPolarHBondContact O-CB 3.28Å; S218-A221 PolarHBondContact O-N 3.25Å; S218-E222 PolarHBondContact O-N 3.02Å
219	K	98.3	Very high	97.4	Very high	78 Å²	78	56.3 Å²	56.3	34%	0.339	29%	0.287	S	S	.	.	H	α-helix	trans	-70.9	-35.8	178.4	-71.6	-72.4	163.6	-141.4	0	113.1	F217 A221 E222 T223 P416 T418	F217-K219 VanDerWaalsContact C-N 3.29Å; F217-K219 PolarHBondContact O-N 3.16Å; K219-A221 VanDerWaalsContact C-N 3.29Å; K219-A221 PolarHBondContact O-N 2.79Å; K219-E222 IonicContact NZ-OE1 2.68Å; K219-E222 PolarHBondContact NZ-OE1 3.29Å; K219-E222 IonicContact NZ-OE2 2.79Å; K219-E222 PolarHBondContact NZ-OE2 3.3Å; K219-E222 PolarHBondContact O-N 2.8Å; K219-T223 PolarHBondContact O-N 2.79Å; K219-T223 PolarHBondContact O-OG1 2.94Å; K219-P416 WeakPolarHBondContact CG-O 3.24Å; K219-T418 CarbonylContact C-O 3.59Å
220	L	98.8	Very high	97.5	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-38.1	172.6	-173.3	59.5	0	0	0	110.7	V80 I88 F217 E222 T223 L224 T418 I420	V80-L220 HydrophobicContact CG2-CD2 4.26Å; I88-L220 HydrophobicContact CD1-CD1 3.65Å; I88-L220 HydrophobicContact CG1-CD1 4.03Å; F217-L220 HydrophobicContact CB-CB 3.71Å; F217-L220 HydrophobicContact CB-CD2 4.16Å; F217-L220 HydrophobicContact CD1-CD2 4.21Å; F217-L220 HydrophobicContact CG-CD2 4.29Å; F217-L220 WeakPolarHBondContact O-CB 3.46Å; F217-L220 PolarHBondContact O-N 3.4Å; F217-L220 VanDerWaalsContact O-N 3.08Å; L220-E222 PolarHBondContact O-N 2.84Å; L220-T223 WeakPolarHBondContact O-CB 3.49Å; L220-T223 PolarHBondContact O-N 3.29Å; L220-L224 HydrophobicContact CD1-CG 4.23Å; L220-L224 HydrophobicContact CG-CD1 4.05Å; L220-L224 HydrophobicContact CG-CG 4.18Å; L220-L224 WeakPolarHBondContact O-CB 3.39Å; L220-L224 VanDerWaalsContact O-CG 3.25Å; L220-L224 WeakPolarHBondContact O-CG 3.36Å; L220-L224 PolarHBondContact O-N 3.31Å; L220-T418 WeakPolarHBondContact CA-O 3.16Å; L220-I420 HydrophobicContact CD1-CG1 4.29Å
221	A	98.8	Very high	97.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-43.4	176.9	0	0	0	0	0	112.1	I166 A169 R170 F217 S218 K219 L224 E225	I166-A221 HydrophobicContact CG2-CB 4.49Å; A169-A221 HydrophobicContact CB-CB 3.76Å; R170-A221 HydrophobicContact CB-CB 3.85Å; F217-A221 PolarHBondContact O-N 2.81Å; S218-A221 WeakPolarHBondContact O-CB 3.28Å; S218-A221 PolarHBondContact O-N 3.25Å; K219-A221 VanDerWaalsContact C-N 3.29Å; K219-A221 PolarHBondContact O-N 2.79Å; A221-L224 PolarHBondContact O-N 3.49Å; A221-E225 WeakPolarHBondContact O-CB 3.45Å; A221-E225 PolarHBondContact O-N 3.08Å
222	E	98.8	Very high	97.9	Very high	84 Å²	84	45.8 Å²	45.8	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-46.4	173.7	-67.9	170.4	-145.8	0	0	111.3	S218 K219 L220 E225 I226	S218-E222 PolarHBondContact O-N 3.02Å; K219-E222 IonicContact NZ-OE1 2.68Å; K219-E222 PolarHBondContact NZ-OE1 3.29Å; K219-E222 IonicContact NZ-OE2 2.79Å; K219-E222 PolarHBondContact NZ-OE2 3.3Å; K219-E222 PolarHBondContact O-N 2.8Å; L220-E222 PolarHBondContact O-N 2.84Å; E222-E225 PolarHBondContact O-N 2.94Å; E222-I226 WeakPolarHBondContact O-CG1 3.32Å; E222-I226 PolarHBondContact O-N 2.82Å
223	T	98.9	Very high	98.1	Very high	3 Å²	3	49 Å²	49	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-49.3	176.3	-69.6	0	0	0	0	112.1	I88 K219 L220 E225 I226 V227 I241 T418 I420	I88-T223 HydrophobicContact CD1-CG2 3.95Å; K219-T223 PolarHBondContact O-N 2.79Å; K219-T223 PolarHBondContact O-OG1 2.94Å; L220-T223 WeakPolarHBondContact O-CB 3.49Å; L220-T223 PolarHBondContact O-N 3.29Å; T223-E225 VanDerWaalsContact C-N 3.29Å; T223-E225 PolarHBondContact O-N 2.91Å; T223-I226 PolarHBondContact O-N 3.02Å; T223-V227 HydrophobicContact CG2-CG2 4.48Å; T223-V227 VanDerWaalsContact O-CG2 3.31Å; T223-V227 WeakPolarHBondContact O-CG2 3.11Å; T223-V227 PolarHBondContact O-N 2.77Å; T223-I241 HydrophobicContact CG2-CD1 4.4Å; T223-I241 HydrophobicContact CG2-CG2 3.78Å; T223-T418 WeakPolarHBondContact CB-O 3.42Å; T223-T418 WeakPolarHBondContact OG1-CA 3.49Å; T223-T418 PolarHBondContact OG1-O 3.33Å; T223-I420 HydrophobicContact CG2-CD1 4.34Å
224	L	98.9	Very high	98.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-35.3	179.7	-70	178.6	0	0	0	111.7	L76 I88 F162 T165 I166 L220 A221 V227 A228	L76-L224 HydrophobicContact CD2-CD2 4.1Å; I88-L224 HydrophobicContact CD1-CD2 4.11Å; I88-L224 HydrophobicContact CG2-CD2 4.27Å; F162-L224 HydrophobicContact CD1-CB 4.21Å; F162-L224 HydrophobicContact CD1-CD2 3.93Å; F162-L224 HydrophobicContact CE1-CD2 4.01Å; T165-L224 HydrophobicContact CG2-CD1 3.67Å; I166-L224 HydrophobicContact CD1-CB 4.29Å; I166-L224 HydrophobicContact CG1-CB 3.63Å; L220-L224 HydrophobicContact CD1-CG 4.23Å; L220-L224 HydrophobicContact CG-CD1 4.05Å; L220-L224 HydrophobicContact CG-CG 4.18Å; L220-L224 WeakPolarHBondContact O-CB 3.39Å; L220-L224 VanDerWaalsContact O-CG 3.25Å; L220-L224 WeakPolarHBondContact O-CG 3.36Å; L220-L224 PolarHBondContact O-N 3.31Å; A221-L224 PolarHBondContact O-N 3.49Å; L224-V227 PolarHBondContact O-N 3.16Å; L224-A228 WeakPolarHBondContact O-CB 3.44Å; L224-A228 PolarHBondContact O-N 3.48Å
225	E	98.8	Very high	98.2	Very high	97 Å²	97	48.6 Å²	48.6	45%	0.453	23%	0.232	S	C	.	.	H	α-helix	trans	-66.2	-42.6	175.8	-176.4	167.1	-140.3	0	0	112.4	I166 R170 A221 E222 T223 A228 K229	I166-E225 HydrophobicContact CD1-CB 4.1Å; R170-E225 IonicContact CZ-OE2 3.98Å; R170-E225 IonicContact NH1-OE1 3.77Å; R170-E225 IonicContact NH1-OE2 3.19Å; R170-E225 IonicContact NH2-OE1 2.76Å; R170-E225 IonicContact NH2-OE2 2.86Å; R170-E225 PolarHBondContact NH2-OE2 3.38Å; A221-E225 WeakPolarHBondContact O-CB 3.45Å; A221-E225 PolarHBondContact O-N 3.08Å; E222-E225 PolarHBondContact O-N 2.94Å; T223-E225 VanDerWaalsContact C-N 3.29Å; T223-E225 PolarHBondContact O-N 2.91Å; E225-A228 PolarHBondContact O-N 2.59Å; E225-K229 WeakPolarHBondContact O-CB 3.1Å; E225-K229 PolarHBondContact O-N 3.24Å; E225-K229 VanDerWaalsContact O-N 3.07Å
226	I	98.8	Very high	98.2	Very high	66 Å²	66	48.6 Å²	48.6	34%	0.338	23%	0.232	S	C	.	.	H	α-helix	trans	-64.8	-44.8	175.5	-66.7	164.1	0	0	0	110.3	E222 T223 A228 K229 E230 A235 I241	E222-I226 WeakPolarHBondContact O-CG1 3.32Å; E222-I226 PolarHBondContact O-N 2.82Å; T223-I226 PolarHBondContact O-N 3.02Å; I226-A228 PolarHBondContact O-N 2.88Å; I226-K229 PolarHBondContact O-N 3.07Å; I226-E230 WeakPolarHBondContact O-CB 3.28Å; I226-E230 PolarHBondContact O-N 3.05Å; I226-A235 HydrophobicContact CG2-CB 3.95Å; I226-I241 HydrophobicContact CB-CD1 4.48Å; I226-I241 HydrophobicContact CD1-CD1 3.87Å; I226-I241 HydrophobicContact CG2-CD1 4.48Å; I226-I241 HydrophobicContact CG2-CG1 4.17Å
227	V	98.8	Very high	98.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-40.2	177.3	171.7	0	0	0	0	111.9	L143 W158 F162 T223 L224 K229 G231 A235	L143-V227 HydrophobicContact CD1-CG1 4.16Å; L143-V227 HydrophobicContact CD1-CG2 3.89Å; L143-V227 HydrophobicContact CD2-CG1 4.03Å; W158-V227 HydrophobicContact CZ2-CG1 4.36Å; W158-V227 PolarHBondContact NE1-O 3.34Å; F162-V227 HydrophobicContact CE1-CG1 3.9Å; F162-V227 HydrophobicContact CZ-CG1 4.02Å; T223-V227 HydrophobicContact CG2-CG2 4.48Å; T223-V227 VanDerWaalsContact O-CG2 3.31Å; T223-V227 WeakPolarHBondContact O-CG2 3.11Å; T223-V227 PolarHBondContact O-N 2.77Å; L224-V227 PolarHBondContact O-N 3.16Å; V227-K229 VanDerWaalsContact C-N 3.27Å; V227-K229 PolarHBondContact O-N 3.45Å; V227-G231 WeakPolarHBondContact O-CA 3.09Å; V227-G231 PolarHBondContact O-N 3.35Å; V227-A235 HydrophobicContact CB-CB 4.5Å; V227-A235 HydrophobicContact CG2-CB 3.9Å
228	A	98.7	Very high	98.3	Very high	12 Å²	12	48 Å²	48	10%	0.099	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-35.4	176.2	0	0	0	0	0	112.2	S159 F162 I166 L224 E225 I226	S159-A228 WeakPolarHBondContact CB-O 3.42Å; F162-A228 HydrophobicContact CB-CB 3.74Å; F162-A228 HydrophobicContact CD1-CB 4.34Å; F162-A228 HydrophobicContact CD2-CB 4.1Å; F162-A228 HydrophobicContact CG-CB 3.8Å; I166-A228 HydrophobicContact CD1-CB 4.24Å; L224-A228 WeakPolarHBondContact O-CB 3.44Å; L224-A228 PolarHBondContact O-N 3.48Å; E225-A228 PolarHBondContact O-N 2.59Å; I226-A228 PolarHBondContact O-N 2.88Å
229	K	98.6	Very high	98.3	Very high	177 Å²	177	46.1 Å²	46.1	77%	0.77	22%	0.224	S	C	*	.	H	α-helix	trans	-82.2	-42.2	-179	-176.2	-179.9	179	-177.2	0	113.3	E225 I226 V227	E225-K229 WeakPolarHBondContact O-CB 3.1Å; E225-K229 PolarHBondContact O-N 3.24Å; E225-K229 VanDerWaalsContact O-N 3.07Å; I226-K229 PolarHBondContact O-N 3.07Å; V227-K229 VanDerWaalsContact C-N 3.27Å; V227-K229 PolarHBondContact O-N 3.45Å
230	E	98.3	Very high	98.3	Very high	81 Å²	81	50 Å²	50	38%	0.379	24%	0.236	S	C	.	.	H	α-helix	trans	-102.7	-13.2	-168.8	-63.8	-168.6	-161.8	0	0	114.2	I226 K234 A235	I226-E230 WeakPolarHBondContact O-CB 3.28Å; I226-E230 PolarHBondContact O-N 3.05Å; E230-K234 HydrophobicContact CB-CD 4.28Å; E230-K234 WeakPolarHBondContact OE2-CE 3.37Å; E230-K234 IonicContact OE2-NZ 3.96Å; E230-A235 HydrophobicContact CB-CB 4.19Å
231	G	98.3	Very high	98.3	Very high	10 Å²	10	50 Å²	50	10%	0.103	24%	0.236	C	C	.	.			trans	83.9	156.6	-169.7	0	0	0	0	0	112.2	V227 A235	V227-G231 WeakPolarHBondContact O-CA 3.09Å; V227-G231 PolarHBondContact O-N 3.35Å; G231-A235 VanDerWaalsContact O-CB 3.24Å; G231-A235 WeakPolarHBondContact O-CB 3.37Å; G231-A235 PolarHBondContact O-N 3.05Å
232	A	97.6	Very high	98.3	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-48.4	-174	0	0	0	0	0	111.5	L143 E147 W158 K234 F236 Y237	L143-A232 HydrophobicContact CB-CB 3.79Å; L143-A232 VanDerWaalsContact O-CB 3.29Å; L143-A232 WeakPolarHBondContact O-CB 3.29Å; E147-A232 HydrophobicContact CB-CB 3.98Å; E147-A232 HydrophobicContact CG-CB 4.5Å; E147-A232 PolarHBondContact OE1-N 3.49Å; W158-A232 HydrophobicContact CZ2-CB 4.46Å; A232-K234 PolarHBondContact O-N 2.86Å; A232-F236 VanDerWaalsContact O-CB 3.29Å; A232-F236 WeakPolarHBondContact O-CB 3.49Å; A232-F236 PolarHBondContact O-N 2.86Å; A232-Y237 HydrophobicContact CB-CE2 4.36Å; A232-Y237 WeakPolarHBondContact O-CD2 3.38Å; A232-Y237 PolarHBondContact O-N 2.9Å
233	K	95.9	Very high	98.2	Very high	125 Å²	125	50.1 Å²	50.1	54%	0.543	24%	0.239	S	C	.	.	I	π-helix	trans	-58.8	-49.7	-176.3	-172.6	171.5	-177	177.7	0	112	L144 Y237 T238	L144-K233 HydrophobicContact CD1-CB 4.37Å; K233-Y237 PolarHBondContact O-N 3.07Å; K233-T238 HydrophobicContact CG-CG2 4.49Å; K233-T238 PolarHBondContact O-N 2.76Å; K233-T238 PolarHBondContact O-OG1 3.34Å; K233-T238 VanDerWaalsContact O-OG1 3.07Å
234	K	97.8	Very high	98.2	Very high	129 Å²	129	51.1 Å²	51.1	56%	0.561	24%	0.244	S	C	*	.	I	π-helix	trans	-70.9	-43.8	-176.7	-176.2	-177.9	169.2	-169.8	0	112.2	E230 A232 G239	E230-K234 HydrophobicContact CB-CD 4.28Å; E230-K234 WeakPolarHBondContact OE2-CE 3.37Å; E230-K234 IonicContact OE2-NZ 3.96Å; A232-K234 PolarHBondContact O-N 2.86Å; K234-G239 WeakPolarHBondContact O-CA 3.16Å; K234-G239 PolarHBondContact O-N 3.49Å
235	A	98.2	Very high	98.2	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.017	24%	0.244	C	C	.	.	I	π-helix	trans	-73.1	-47	-177.3	0	0	0	0	0	112.9	I226 V227 E230 G231 G239 R240 I241	I226-A235 HydrophobicContact CG2-CB 3.95Å; V227-A235 HydrophobicContact CB-CB 4.5Å; V227-A235 HydrophobicContact CG2-CB 3.9Å; E230-A235 HydrophobicContact CB-CB 4.19Å; G231-A235 VanDerWaalsContact O-CB 3.24Å; G231-A235 WeakPolarHBondContact O-CB 3.37Å; G231-A235 PolarHBondContact O-N 3.05Å; A235-G239 CarbonylContact O-C 3.33Å; A235-G239 WeakPolarHBondContact O-CA 3.37Å; A235-R240 PolarHBondContact O-N 3.34Å; A235-I241 WeakPolarHBondContact O-CB 3.29Å; A235-I241 PolarHBondContact O-N 2.99Å; A235-I241 VanDerWaalsContact O-N 3.13Å
236	F	98.6	Very high	98.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-102.9	-56.4	-166.6	-169.2	-88.7	0	0	0	112.4	P140 L143 A232 T238 I241 G242 L245 L261 I420	P140-F236 HydrophobicContact CB-CZ 4.41Å; L143-F236 HydrophobicContact CD1-CB 4.1Å; L143-F236 HydrophobicContact CD1-CD2 3.72Å; L143-F236 HydrophobicContact CD1-CE2 4.29Å; L143-F236 HydrophobicContact CD1-CG 3.91Å; A232-F236 VanDerWaalsContact O-CB 3.29Å; A232-F236 WeakPolarHBondContact O-CB 3.49Å; A232-F236 PolarHBondContact O-N 2.86Å; F236-T238 PolarHBondContact O-N 2.84Å; F236-I241 HydrophobicContact CD2-CB 4.31Å; F236-I241 HydrophobicContact CD2-CG2 3.55Å; F236-I241 HydrophobicContact CE2-CG2 4.07Å; F236-G242 WeakPolarHBondContact O-CA 3.26Å; F236-G242 PolarHBondContact O-N 2.87Å; F236-L245 HydrophobicContact CE1-CD2 4.37Å; F236-L245 HydrophobicContact CE2-CD2 3.84Å; F236-L245 HydrophobicContact CZ-CD2 3.43Å; F236-L245 VanDerWaalsContact CZ-CD2 3.43Å; F236-L261 HydrophobicContact CE1-CD2 3.88Å; F236-I420 HydrophobicContact CD2-CD1 4.45Å; F236-I420 HydrophobicContact CE2-CD1 3.56Å; F236-I420 HydrophobicContact CZ-CD1 4.38Å
237	Y	98.2	Very high	98.2	Very high	6 Å²	6	47.5 Å²	47.5	2%	0.024	23%	0.226	C	C	.	.	I	π-helix	trans	-80.1	-23.1	-168.9	-65.3	-87.4	0	0	0	114	P140 G141 L143 L144 A232 K233 L261 K262 Y264	P140-Y237 WeakPolarHBondContact O-CE1 3.28Å; P140-Y237 PolarHBondContact O-OH 3.43Å; G141-Y237 PolarHBondContact O-OH 2.98Å; L143-Y237 HydrophobicContact CB-CE2 4.03Å; L144-Y237 HydrophobicContact CB-CD2 4.22Å; L144-Y237 HydrophobicContact CB-CE1 4.26Å; L144-Y237 HydrophobicContact CB-CE2 3.52Å; L144-Y237 HydrophobicContact CD1-CD2 4.19Å; L144-Y237 HydrophobicContact CD1-CE2 4.31Å; L144-Y237 HydrophobicContact CG-CE2 4.4Å; L144-Y237 PolarHBondContact N-OH 3.45Å; A232-Y237 HydrophobicContact CB-CE2 4.36Å; A232-Y237 WeakPolarHBondContact O-CD2 3.38Å; A232-Y237 PolarHBondContact O-N 2.9Å; K233-Y237 PolarHBondContact O-N 3.07Å; Y237-L261 HydrophobicContact CD1-CB 4.32Å; Y237-L261 VanDerWaalsContact CD1-O 3.31Å; Y237-L261 WeakPolarHBondContact CD1-O 3.45Å; Y237-K262 WeakPolarHBondContact O-CG 3.39Å; Y237-Y264 HydrophobicContact CE1-CD1 4.01Å; Y237-Y264 HydrophobicContact CE1-CG 4.36Å
238	T	97.8	Very high	98.2	Very high	76 Å²	76	48 Å²	48	47%	0.466	23%	0.229	S	C	.	.	S	Bend	trans	-127.6	4	176	66.6	0	0	0	0	113.4	K233 F236 K262	K233-T238 HydrophobicContact CG-CG2 4.49Å; K233-T238 PolarHBondContact O-N 2.76Å; K233-T238 PolarHBondContact O-OG1 3.34Å; K233-T238 VanDerWaalsContact O-OG1 3.07Å; F236-T238 PolarHBondContact O-N 2.84Å; T238-K262 HydrophobicContact CG2-CG 4.28Å
239	G	97.6	Very high	98.1	Very high	14 Å²	14	47.6 Å²	47.6	14%	0.144	23%	0.225	C	C	.	.	S	Bend	trans	-117.3	-167.2	-165.1	0	0	0	0	0	115.5	K234 A235 I241 G242 L243	K234-G239 WeakPolarHBondContact O-CA 3.16Å; K234-G239 PolarHBondContact O-N 3.49Å; A235-G239 CarbonylContact O-C 3.33Å; A235-G239 WeakPolarHBondContact O-CA 3.37Å; G239-I241 PolarHBondContact O-N 2.82Å; G239-G242 PolarHBondContact O-N 2.9Å; G239-L243 PolarHBondContact O-N 3.29Å; G239-L243 VanDerWaalsContact O-N 3.14Å
240	R	97.8	Very high	98	Very high	158 Å²	158	44.3 Å²	44.3	60%	0.596	21%	0.21	S	C	*	.	H	α-helix	trans	-65.2	-38.7	-174.9	-178.1	63.5	-163.1	-165.5	7.3	113	A235 G242 L243 D244	A235-R240 PolarHBondContact O-N 3.34Å; R240-G242 VanDerWaalsContact C-N 3.31Å; R240-G242 PolarHBondContact O-N 2.06Å; R240-L243 WeakPolarHBondContact O-CB 3.44Å; R240-L243 PolarHBondContact O-N 2.94Å; R240-L243 VanDerWaalsContact O-N 3.17Å; R240-D244 WeakPolarHBondContact CG-OD2 3.28Å; R240-D244 IonicContact CZ-OD1 2.66Å; R240-D244 VanDerWaalsContact CZ-OD1 3.26Å; R240-D244 IonicContact CZ-OD2 3.81Å; R240-D244 VanDerWaalsContact NE-CG 3.34Å; R240-D244 IonicContact NE-OD1 2.76Å; R240-D244 PolarHBondContact NE-OD1 3.44Å; R240-D244 IonicContact NE-OD2 3.58Å; R240-D244 PolarHBondContact NE-OD2 2.85Å; R240-D244 IonicContact NH2-OD1 2.93Å; R240-D244 PolarHBondContact NH2-OD1 3.45Å; R240-D244 IonicContact NH2-OD2 2.76Å; R240-D244 PolarHBondContact O-N 2.95Å
241	I	98.7	Very high	97.9	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-42.2	178.8	-57.8	-59.8	0	0	0	110.4	T223 I226 A235 F236 G239 D244 L245 T418	T223-I241 HydrophobicContact CG2-CD1 4.4Å; T223-I241 HydrophobicContact CG2-CG2 3.78Å; I226-I241 HydrophobicContact CB-CD1 4.48Å; I226-I241 HydrophobicContact CD1-CD1 3.87Å; I226-I241 HydrophobicContact CG2-CD1 4.48Å; I226-I241 HydrophobicContact CG2-CG1 4.17Å; A235-I241 WeakPolarHBondContact O-CB 3.29Å; A235-I241 PolarHBondContact O-N 2.99Å; A235-I241 VanDerWaalsContact O-N 3.13Å; F236-I241 HydrophobicContact CD2-CB 4.31Å; F236-I241 HydrophobicContact CD2-CG2 3.55Å; F236-I241 HydrophobicContact CE2-CG2 4.07Å; G239-I241 PolarHBondContact O-N 2.82Å; I241-D244 PolarHBondContact O-N 2.79Å; I241-L245 WeakPolarHBondContact O-CB 3.22Å; I241-L245 PolarHBondContact O-N 2.8Å; I241-T418 HydrophobicContact CG2-CG2 3.98Å
242	G	98.6	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-45.8	173.8	0	0	0	0	0	112.2	F236 G239 R240 D244 L245 I246	F236-G242 WeakPolarHBondContact O-CA 3.26Å; F236-G242 PolarHBondContact O-N 2.87Å; G239-G242 PolarHBondContact O-N 2.9Å; R240-G242 VanDerWaalsContact C-N 3.31Å; R240-G242 PolarHBondContact O-N 2.06Å; G242-D244 VanDerWaalsContact C-N 3.34Å; G242-D244 PolarHBondContact O-N 2.78Å; G242-L245 PolarHBondContact O-N 2.94Å; G242-I246 WeakPolarHBondContact O-CB 3.43Å; G242-I246 VanDerWaalsContact O-CG1 3.25Å; G242-I246 WeakPolarHBondContact O-CG1 3.47Å; G242-I246 PolarHBondContact O-N 3.48Å
243	L	98.6	Very high	97.5	Very high	88 Å²	88	53.6 Å²	53.6	46%	0.461	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-45.4	178.5	-72.6	166.2	0	0	0	112	G239 R240 I246 Q247 M258	G239-L243 PolarHBondContact O-N 3.29Å; G239-L243 VanDerWaalsContact O-N 3.14Å; R240-L243 WeakPolarHBondContact O-CB 3.44Å; R240-L243 PolarHBondContact O-N 2.94Å; R240-L243 VanDerWaalsContact O-N 3.17Å; L243-I246 PolarHBondContact O-N 3.39Å; L243-Q247 PolarHBondContact O-N 3.38Å; L243-M258 HydrophobicContact CD2-CG 3.61Å; L243-M258 HydrophobicContact CD2-SD 3.98Å; L243-M258 HydrophobicContact CG-CE 4.44Å; L243-M258 HydrophobicContact CG-CG 4.38Å; L243-M258 HydrophobicContact CG-SD 4.09Å; L243-M258 PolarHBondContact N-SD 2.78Å; L243-M258 VanDerWaalsContact N-SD 3.39Å
244	D	98.7	Very high	97.4	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-41.6	177.9	-75.5	-36.8	0	0	0	111.7	R240 I241 G242 Q247 D248 R417 T418	R240-D244 WeakPolarHBondContact CG-OD2 3.28Å; R240-D244 IonicContact CZ-OD1 2.66Å; R240-D244 VanDerWaalsContact CZ-OD1 3.26Å; R240-D244 IonicContact CZ-OD2 3.81Å; R240-D244 VanDerWaalsContact NE-CG 3.34Å; R240-D244 IonicContact NE-OD1 2.76Å; R240-D244 PolarHBondContact NE-OD1 3.44Å; R240-D244 IonicContact NE-OD2 3.58Å; R240-D244 PolarHBondContact NE-OD2 2.85Å; R240-D244 IonicContact NH2-OD1 2.93Å; R240-D244 PolarHBondContact NH2-OD1 3.45Å; R240-D244 IonicContact NH2-OD2 2.76Å; R240-D244 PolarHBondContact O-N 2.95Å; I241-D244 PolarHBondContact O-N 2.79Å; G242-D244 VanDerWaalsContact C-N 3.34Å; G242-D244 PolarHBondContact O-N 2.78Å; D244-Q247 PolarHBondContact O-N 3.03Å; D244-D248 PolarHBondContact O-N 3.09Å; D244-D248 VanDerWaalsContact O-N 3.08Å; D244-R417 HydrophobicContact CB-CB 3.83Å; D244-T418 HydrophobicContact CB-CG2 3.93Å
245	L	98.7	Very high	97.1	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-47.6	176.1	-178.2	65.9	0	0	0	111.9	F236 I241 G242 Q247 D248 I249 T418 I420 L422	F236-L245 HydrophobicContact CE1-CD2 4.37Å; F236-L245 HydrophobicContact CE2-CD2 3.84Å; F236-L245 HydrophobicContact CZ-CD2 3.43Å; F236-L245 VanDerWaalsContact CZ-CD2 3.43Å; I241-L245 WeakPolarHBondContact O-CB 3.22Å; I241-L245 PolarHBondContact O-N 2.8Å; G242-L245 PolarHBondContact O-N 2.94Å; L245-Q247 VanDerWaalsContact C-N 3.26Å; L245-Q247 PolarHBondContact O-N 2.9Å; L245-D248 PolarHBondContact O-N 2.74Å; L245-I249 HydrophobicContact CD1-CD1 4.28Å; L245-I249 HydrophobicContact CD2-CD1 4.37Å; L245-I249 HydrophobicContact CG-CD1 3.84Å; L245-I249 HydrophobicContact CG-CG1 4.49Å; L245-I249 VanDerWaalsContact O-CG1 3.31Å; L245-I249 WeakPolarHBondContact O-CG1 3.39Å; L245-I249 PolarHBondContact O-N 3.11Å; L245-T418 HydrophobicContact CB-CG2 4.06Å; L245-I420 HydrophobicContact CD1-CB 4.33Å; L245-I420 HydrophobicContact CD1-CD1 4.45Å; L245-L422 HydrophobicContact CD1-CD1 4.14Å; L245-L422 HydrophobicContact CD1-CD2 4.08Å; L245-L422 HydrophobicContact CD1-CG 4.45Å; L245-L422 HydrophobicContact CD2-CD2 4.46Å
246	I	98.4	Very high	96.9	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-35.4	179.4	-67.9	-56.1	0	0	0	110.9	G242 L243 I249 K250 L256 T257 M258 L261	G242-I246 WeakPolarHBondContact O-CB 3.43Å; G242-I246 VanDerWaalsContact O-CG1 3.25Å; G242-I246 WeakPolarHBondContact O-CG1 3.47Å; G242-I246 PolarHBondContact O-N 3.48Å; L243-I246 PolarHBondContact O-N 3.39Å; I246-I249 HydrophobicContact CD1-CD1 4.29Å; I246-I249 PolarHBondContact O-N 2.76Å; I246-K250 HydrophobicContact CG2-CD 4.27Å; I246-K250 VanDerWaalsContact O-CG 3.31Å; I246-K250 WeakPolarHBondContact O-CG 3.49Å; I246-K250 PolarHBondContact O-N 3.1Å; I246-L256 HydrophobicContact CD1-CB 3.84Å; I246-T257 WeakPolarHBondContact CD1-O 3.4Å; I246-M258 HydrophobicContact CB-SD 4.35Å; I246-M258 HydrophobicContact CG1-CG 4.17Å; I246-M258 HydrophobicContact CG1-SD 3.72Å; I246-L261 HydrophobicContact CD1-CD1 3.91Å; I246-L261 HydrophobicContact CD1-CG 4.15Å; I246-L261 HydrophobicContact CG1-CD1 3.75Å; I246-L261 HydrophobicContact CG1-CG 4.43Å
247	Q	98.4	Very high	96.8	Very high	82 Å²	82	47 Å²	47	38%	0.383	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-48.8	174.2	-172.5	59.6	54	0	0	111.2	L243 D244 L245 I249 K250 D251	L243-Q247 PolarHBondContact O-N 3.38Å; D244-Q247 PolarHBondContact O-N 3.03Å; L245-Q247 VanDerWaalsContact C-N 3.26Å; L245-Q247 PolarHBondContact O-N 2.9Å; Q247-I249 VanDerWaalsContact C-N 3.3Å; Q247-I249 PolarHBondContact O-N 3.48Å; Q247-K250 WeakPolarHBondContact O-CB 3.3Å; Q247-K250 PolarHBondContact O-N 3.45Å; Q247-K250 VanDerWaalsContact O-N 3.16Å; Q247-D251 PolarHBondContact NE2-OD1 2.86Å; Q247-D251 PolarHBondContact O-N 3.39Å
248	D	98.3	Very high	96.8	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.059	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-35.4	178.9	-70.2	-12.4	0	0	0	112.3	D244 L245 D251 A252 S415 P416 R417	D244-D248 PolarHBondContact O-N 3.09Å; D244-D248 VanDerWaalsContact O-N 3.08Å; L245-D248 PolarHBondContact O-N 2.74Å; D248-D251 PolarHBondContact O-N 2.96Å; D248-A252 PolarHBondContact O-N 3.46Å; D248-A252 VanDerWaalsContact O-N 3.12Å; D248-S415 VanDerWaalsContact OD2-C 3.3Å; D248-S415 WeakPolarHBondContact OD2-CA 3.17Å; D248-S415 WeakPolarHBondContact OD2-CB 3.5Å; D248-S415 PolarHBondContact OD2-OG 2.93Å; D248-P416 VanDerWaalsContact OD2-CD 3.24Å; D248-P416 WeakPolarHBondContact OD2-CD 3.47Å; D248-R417 WeakPolarHBondContact OD1-CD 3.18Å; D248-R417 VanDerWaalsContact OD1-CG 3.25Å; D248-R417 WeakPolarHBondContact OD1-CG 3.41Å; D248-R417 IonicContact OD1-NE 3.83Å; D248-R417 PolarHBondContact OD1-NE 3.35Å; D248-R417 VanDerWaalsContact OD2-CB 3.26Å; D248-R417 WeakPolarHBondContact OD2-CB 3.45Å; D248-R417 WeakPolarHBondContact OD2-CG 3.32Å; D248-R417 PolarHBondContact OD2-N 3.22Å
249	I	97.1	Very high	96.6	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-42.3	174.6	-69.5	166.2	0	0	0	110.9	I137 L245 I246 Q247 A252 D253 G254 L256 L422	I137-I249 HydrophobicContact CD1-CG1 4.47Å; I137-I249 HydrophobicContact CD1-CG2 4.41Å; L245-I249 HydrophobicContact CD1-CD1 4.28Å; L245-I249 HydrophobicContact CD2-CD1 4.37Å; L245-I249 HydrophobicContact CG-CD1 3.84Å; L245-I249 HydrophobicContact CG-CG1 4.49Å; L245-I249 VanDerWaalsContact O-CG1 3.31Å; L245-I249 WeakPolarHBondContact O-CG1 3.39Å; L245-I249 PolarHBondContact O-N 3.11Å; I246-I249 HydrophobicContact CD1-CD1 4.29Å; I246-I249 PolarHBondContact O-N 2.76Å; Q247-I249 VanDerWaalsContact C-N 3.3Å; Q247-I249 PolarHBondContact O-N 3.48Å; I249-A252 CarbonylContact O-C 3.59Å; I249-A252 WeakPolarHBondContact O-CA 3.41Å; I249-A252 PolarHBondContact O-N 3.34Å; I249-A252 VanDerWaalsContact O-N 3.16Å; I249-D253 PolarHBondContact O-N 3.1Å; I249-G254 WeakPolarHBondContact O-CA 3.27Å; I249-G254 PolarHBondContact O-N 3.04Å; I249-L256 HydrophobicContact CD1-CB 4.22Å; I249-L256 HydrophobicContact CD1-CD1 3.97Å; I249-L256 HydrophobicContact CG2-CB 4.15Å; I249-L256 HydrophobicContact CG2-CD1 4.35Å; I249-L422 HydrophobicContact CD1-CD1 3.51Å; I249-L422 HydrophobicContact CG1-CD1 3.33Å
250	K	96.3	Very high	96.5	Very high	109 Å²	109	47.8 Å²	47.8	47%	0.474	25%	0.246	S	C	.	.	H	α-helix	trans	-66	-39.7	176.2	-75.2	175.7	177.9	-176.4	0	112.2	I246 Q247 A252 D253	I246-K250 HydrophobicContact CG2-CD 4.27Å; I246-K250 VanDerWaalsContact O-CG 3.31Å; I246-K250 WeakPolarHBondContact O-CG 3.49Å; I246-K250 PolarHBondContact O-N 3.1Å; Q247-K250 WeakPolarHBondContact O-CB 3.3Å; Q247-K250 PolarHBondContact O-N 3.45Å; Q247-K250 VanDerWaalsContact O-N 3.16Å; K250-A252 PolarHBondContact O-N 3.33Å; K250-D253 PolarHBondContact O-N 3.14Å
251	D	96.4	Very high	96.5	Very high	101 Å²	101	40.3 Å²	40.3	54%	0.54	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-22.2	174.9	-64.6	-10.6	0	0	0	111.3	Q247 D248	Q247-D251 PolarHBondContact NE2-OD1 2.86Å; Q247-D251 PolarHBondContact O-N 3.39Å; D248-D251 PolarHBondContact O-N 2.96Å
252	A	94.9	Very high	96.3	Very high	37 Å²	37	44.6 Å²	44.6	31%	0.306	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	22.4	171.4	0	0	0	0	0	113.8	S134 D248 I249 K250 G254 V413	S134-A252 WeakPolarHBondContact CB-O 3.46Å; S134-A252 PolarHBondContact OG-O 3.37Å; D248-A252 PolarHBondContact O-N 3.46Å; D248-A252 VanDerWaalsContact O-N 3.12Å; I249-A252 CarbonylContact O-C 3.59Å; I249-A252 WeakPolarHBondContact O-CA 3.41Å; I249-A252 PolarHBondContact O-N 3.34Å; I249-A252 VanDerWaalsContact O-N 3.16Å; K250-A252 PolarHBondContact O-N 3.33Å; A252-G254 PolarHBondContact O-N 3Å; A252-V413 HydrophobicContact CB-CG1 4.19Å
253	D	93.7	Very high	96	Very high	148 Å²	148	46.3 Å²	46.3	79%	0.791	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	20.7	179.4	-59.2	-50.6	0	0	0	115.5	I249 K250	I249-D253 PolarHBondContact O-N 3.1Å; K250-D253 PolarHBondContact O-N 3.14Å
254	G	93.3	Very high	95.9	Very high	11 Å²	11	42.5 Å²	42.5	11%	0.113	23%	0.228	C	C	.	.			trans	-81.2	160.8	178.2	0	0	0	0	0	113.9	S134 I249 A252	S134-G254 WeakPolarHBondContact OG-CA 3.23Å; S134-G254 PolarHBondContact OG-N 3.13Å; I249-G254 WeakPolarHBondContact O-CA 3.27Å; I249-G254 PolarHBondContact O-N 3.04Å; A252-G254 PolarHBondContact O-N 3Å
255	T	90.9	Very high	95.5	Very high	56 Å²	56	47.9 Å²	47.9	34%	0.344	25%	0.247	S	C	.	.			trans	-105.3	-6.9	-171.5	50	0	0	0	0	114.7	S115	S115-T255 WeakPolarHBondContact O-CB 3.41Å; S115-T255 PolarHBondContact O-OG1 3.48Å
256	L	94.6	Very high	95.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.255	C	S	.	.			trans	-61.8	142.1	178.6	-79	141.9	0	0	0	111.7	P113 I137 V139 I246 I249 D260	P113-L256 HydrophobicContact CB-CD2 4.15Å; P113-L256 HydrophobicContact CB-CG 4.33Å; I137-L256 HydrophobicContact CB-CD1 3.64Å; I137-L256 HydrophobicContact CG2-CD1 3.3Å; V139-L256 HydrophobicContact CB-CD2 4.19Å; V139-L256 HydrophobicContact CG2-CD2 3.56Å; I246-L256 HydrophobicContact CD1-CB 3.84Å; I249-L256 HydrophobicContact CD1-CB 4.22Å; I249-L256 HydrophobicContact CD1-CD1 3.97Å; I249-L256 HydrophobicContact CG2-CB 4.15Å; I249-L256 HydrophobicContact CG2-CD1 4.35Å; L256-D260 HydrophobicContact CD2-CB 4.19Å
257	T	96.2	Very high	95.2	Very high	47 Å²	47	50.7 Å²	50.7	29%	0.288	26%	0.26	S	S	.	.			trans	-124.4	166.2	-179.5	70.3	0	0	0	0	111.5	I246 D259 D260 L261	I246-T257 WeakPolarHBondContact CD1-O 3.4Å; T257-D259 PolarHBondContact O-N 3.25Å; T257-D259 PolarHBondContact OG1-N 3.16Å; T257-D260 WeakPolarHBondContact CB-OD2 3.05Å; T257-D260 PolarHBondContact N-OD2 2.85Å; T257-D260 WeakPolarHBondContact O-CB 3.23Å; T257-D260 PolarHBondContact O-N 2.94Å; T257-D260 VanDerWaalsContact OG1-CG 3.29Å; T257-D260 PolarHBondContact OG1-N 2.76Å; T257-D260 PolarHBondContact OG1-OD2 3.44Å; T257-L261 PolarHBondContact O-N 2.81Å
258	M	97	Very high	95.1	Very high	24 Å²	24	50.5 Å²	50.5	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-28.7	171	-79.7	-55.7	-55.4	0	0	112.7	L243 I246 D260 L261 K262	L243-M258 HydrophobicContact CD2-CG 3.61Å; L243-M258 HydrophobicContact CD2-SD 3.98Å; L243-M258 HydrophobicContact CG-CE 4.44Å; L243-M258 HydrophobicContact CG-CG 4.38Å; L243-M258 HydrophobicContact CG-SD 4.09Å; L243-M258 PolarHBondContact N-SD 2.78Å; L243-M258 VanDerWaalsContact N-SD 3.39Å; I246-M258 HydrophobicContact CB-SD 4.35Å; I246-M258 HydrophobicContact CG1-CG 4.17Å; I246-M258 HydrophobicContact CG1-SD 3.72Å; M258-D260 VanDerWaalsContact C-N 3.32Å; M258-L261 HydrophobicContact CE-CD1 4.35Å; M258-L261 PolarHBondContact O-N 2.95Å; M258-L261 HydrophobicContact SD-CD1 3.92Å; M258-K262 WeakPolarHBondContact O-CB 3.27Å; M258-K262 WeakPolarHBondContact O-CG 3.24Å; M258-K262 PolarHBondContact O-N 3.03Å
259	D	95.2	Very high	94.9	Very high	87 Å²	87	52.7 Å²	52.7	47%	0.465	28%	0.276	S	S	.	.	H	α-helix	trans	-74.7	-27.8	180	-64.8	-22.8	0	0	0	111.3	T257 K262 S263	T257-D259 PolarHBondContact O-N 3.25Å; T257-D259 PolarHBondContact OG1-N 3.16Å; D259-K262 IonicContact OD1-NZ 2.84Å; D259-K262 PolarHBondContact OD1-NZ 3.1Å; D259-S263 WeakPolarHBondContact O-CB 3.33Å; D259-S263 PolarHBondContact O-N 2.99Å; D259-S263 PolarHBondContact O-OG 2.83Å
260	D	95.6	Very high	94.8	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-48.2	167.7	-60.3	-53.7	0	0	0	111.4	P113 Q114 V139 L256 T257 M258 S263 Y264	P113-D260 WeakPolarHBondContact CA-OD1 3.32Å; Q114-D260 WeakPolarHBondContact CB-OD1 3.37Å; Q114-D260 VanDerWaalsContact CG-OD1 3.26Å; Q114-D260 WeakPolarHBondContact CG-OD1 3.29Å; Q114-D260 PolarHBondContact N-OD1 3.38Å; V139-D260 HydrophobicContact CG2-CB 3.86Å; L256-D260 HydrophobicContact CD2-CB 4.19Å; T257-D260 WeakPolarHBondContact CB-OD2 3.05Å; T257-D260 PolarHBondContact N-OD2 2.85Å; T257-D260 WeakPolarHBondContact O-CB 3.23Å; T257-D260 PolarHBondContact O-N 2.94Å; T257-D260 VanDerWaalsContact OG1-CG 3.29Å; T257-D260 PolarHBondContact OG1-N 2.76Å; T257-D260 PolarHBondContact OG1-OD2 3.44Å; M258-D260 VanDerWaalsContact C-N 3.32Å; D260-S263 PolarHBondContact O-N 3.02Å; D260-S263 PolarHBondContact O-OG 3.32Å; D260-Y264 PolarHBondContact O-N 2.84Å
261	L	97.1	Very high	94.9	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-49.6	175.4	-65	-179.3	0	0	0	111.3	V139 F236 Y237 I246 T257 M258 S263 Y264	V139-L261 HydrophobicContact CG1-CD2 4.02Å; F236-L261 HydrophobicContact CE1-CD2 3.88Å; Y237-L261 HydrophobicContact CD1-CB 4.32Å; Y237-L261 VanDerWaalsContact CD1-O 3.31Å; Y237-L261 WeakPolarHBondContact CD1-O 3.45Å; I246-L261 HydrophobicContact CD1-CD1 3.91Å; I246-L261 HydrophobicContact CD1-CG 4.15Å; I246-L261 HydrophobicContact CG1-CD1 3.75Å; I246-L261 HydrophobicContact CG1-CG 4.43Å; T257-L261 PolarHBondContact O-N 2.81Å; M258-L261 HydrophobicContact CE-CD1 4.35Å; M258-L261 PolarHBondContact O-N 2.95Å; M258-L261 HydrophobicContact SD-CD1 3.92Å; L261-S263 VanDerWaalsContact C-N 3.26Å; L261-S263 PolarHBondContact O-N 3.48Å; L261-Y264 WeakPolarHBondContact O-CB 3.22Å; L261-Y264 PolarHBondContact O-N 2.81Å
262	K	95.4	Very high	94.9	Very high	98 Å²	98	50.6 Å²	50.6	43%	0.426	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-32.8	-179.6	-69.7	170.5	-162.8	158.6	0	113	Y237 T238 M258 D259 R265	Y237-K262 WeakPolarHBondContact O-CG 3.39Å; T238-K262 HydrophobicContact CG2-CG 4.28Å; M258-K262 WeakPolarHBondContact O-CB 3.27Å; M258-K262 WeakPolarHBondContact O-CG 3.24Å; M258-K262 PolarHBondContact O-N 3.03Å; D259-K262 IonicContact OD1-NZ 2.84Å; D259-K262 PolarHBondContact OD1-NZ 3.1Å; K262-R265 PolarHBondContact O-NH1 2.83Å
263	S	92.2	Very high	95.1	Very high	36 Å²	36	52.4 Å²	52.4	25%	0.252	28%	0.283	S	S	.	.	H	α-helix	trans	-85.7	-15	-178.2	60.9	0	0	0	0	113.3	Q114 D259 D260 L261 R265	Q114-S263 PolarHBondContact NE2-OG 2.65Å; D259-S263 WeakPolarHBondContact O-CB 3.33Å; D259-S263 PolarHBondContact O-N 2.99Å; D259-S263 PolarHBondContact O-OG 2.83Å; D260-S263 PolarHBondContact O-N 3.02Å; D260-S263 PolarHBondContact O-OG 3.32Å; L261-S263 VanDerWaalsContact C-N 3.26Å; L261-S263 PolarHBondContact O-N 3.48Å; S263-R265 PolarHBondContact O-NH1 3.2Å
264	Y	94.9	Very high	95.3	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.027	25%	0.245	C	C	.	.			trans	-56.5	138.9	177.1	-170.4	-95.3	0	0	0	112.7	F108 R109 V139 G141 L144 Y237 D260 L261	F108-Y264 WeakPolarHBondContact CA-OH 3.5Å; F108-Y264 PolarHBondContact O-OH 2.79Å; F108-Y264 VanDerWaalsContact O-OH 3.04Å; R109-Y264 PolarHBondContact O-OH 3.26Å; V139-Y264 HydrophobicContact CB-CD2 3.93Å; V139-Y264 HydrophobicContact CG1-CD2 3.64Å; V139-Y264 HydrophobicContact CG1-CG 4.01Å; G141-Y264 VanDerWaalsContact CA-CZ 3.4Å; G141-Y264 WeakPolarHBondContact CA-OH 3.42Å; L144-Y264 HydrophobicContact CD2-CD1 3.83Å; L144-Y264 HydrophobicContact CD2-CE1 4.43Å; Y237-Y264 HydrophobicContact CE1-CD1 4.01Å; Y237-Y264 HydrophobicContact CE1-CG 4.36Å; D260-Y264 PolarHBondContact O-N 2.84Å; L261-Y264 WeakPolarHBondContact O-CB 3.22Å; L261-Y264 PolarHBondContact O-N 2.81Å
265	R	91.4	Very high	95.4	Very high	137 Å²	137	47.4 Å²	47.4	52%	0.517	26%	0.258	S	S	.	.			trans	-138.3	137.6	178.7	-61.2	-66.2	178.1	-90.8	-3.7	110.2	K262 S263	K262-R265 PolarHBondContact O-NH1 2.83Å; S263-R265 PolarHBondContact O-NH1 3.2Å
266	V	95.3	Very high	95.5	Very high	29 Å²	29	44.9 Å²	44.9	18%	0.176	24%	0.242	C	C	.	.			trans	-70.4	133.4	166.7	-178.8	0	0	0	0	108.8	Y106 F108 L144 A148 V268	Y106-V266 HydrophobicContact CD1-CG1 4.45Å; F108-V266 HydrophobicContact CB-CG1 4.19Å; F108-V266 HydrophobicContact CB-CG2 4.13Å; F108-V266 HydrophobicContact CD1-CG1 4.15Å; L144-V266 HydrophobicContact CB-CG2 4.03Å; L144-V266 HydrophobicContact CD2-CG2 4.12Å; L144-V266 HydrophobicContact CG-CG2 3.86Å; A148-V266 HydrophobicContact CB-CB 4.45Å; A148-V266 HydrophobicContact CB-CG1 4.37Å; A148-V266 HydrophobicContact CB-CG2 4.19Å; V266-V268 HydrophobicContact CG1-CG2 4.48Å
267	R	94.9	Very high	95.2	Very high	36 Å²	36	46.1 Å²	46.1	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.1	173.6	-60.5	-178.7	-173.4	-179.1	1.3	109.6	N107 D338 S451	N107-R267 HydrophobicContact CB-CB 4.34Å; N107-R267 PolarHBondContact N-O 2.75Å; N107-R267 PolarHBondContact O-N 3Å; R267-D338 IonicContact CZ-OD1 2.76Å; R267-D338 IonicContact CZ-OD2 3.97Å; R267-D338 VanDerWaalsContact CZ-OD2 3.31Å; R267-D338 IonicContact NH1-OD1 3.26Å; R267-D338 PolarHBondContact NH1-OD1 3.33Å; R267-D338 IonicContact NH1-OD2 2.89Å; R267-D338 PolarHBondContact NH1-OD2 3.01Å; R267-D338 IonicContact NH2-OD1 3.74Å; R267-D338 IonicContact NH2-OD2 3.75Å; R267-D338 PolarHBondContact NH2-OD2 3.48Å; R267-S451 PolarHBondContact NH2-O 3.14Å
268	V	96.1	Very high	94.9	Very high	78 Å²	78	48.9 Å²	48.9	47%	0.473	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	110.4	177.5	-174.5	0	0	0	0	107.8	K104 V105 Y106 V266	K104-V268 HydrophobicContact CD-CG1 4.34Å; V105-V268 CarbonylContact O-C 3.56Å; V105-V268 VanDerWaalsContact O-CA 3.32Å; V105-V268 WeakPolarHBondContact O-CA 3.24Å; Y106-V268 HydrophobicContact CD1-CG1 4.5Å; Y106-V268 HydrophobicContact CD1-CG2 3.71Å; Y106-V268 HydrophobicContact CE1-CG1 4.21Å; Y106-V268 HydrophobicContact CE1-CG2 3.74Å; Y106-V268 HydrophobicContact CE2-CG1 4.46Å; Y106-V268 HydrophobicContact CG-CG2 4.47Å; V266-V268 HydrophobicContact CG1-CG2 4.48Å
269	D	93.7	Very high	94.8	Very high	57 Å²	57	49.7 Å²	49.7	31%	0.305	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	157.2	-172.1	-61.8	-57	0	0	0	111.1	V105 P285	V105-D269 HydrophobicContact CB-CB 4.44Å; V105-D269 PolarHBondContact N-O 3.08Å; V105-D269 PolarHBondContact O-N 3.15Å; D269-P285 HydrophobicContact CB-CG 4.07Å
270	S	96.4	Very high	94.9	Very high	100 Å²	100	51.2 Å²	51.2	70%	0.699	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-73.2	142.3	165.1	-65	0	0	0	0	109.8
271	P	97.5	Very high	95	Very high	21 Å²	21	51.1 Å²	51.1	14%	0.136	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-69	154.4	175.8	33.1	-38.3	0	0	0	110.5	V103 V105 H282 I283	V103-P271 HydrophobicContact CB-CG 3.86Å; V103-P271 HydrophobicContact CG1-CB 4.03Å; V103-P271 HydrophobicContact CG1-CG 3.75Å; V103-P271 VanDerWaalsContact O-CD 3.23Å; V103-P271 WeakPolarHBondContact O-CD 3.38Å; V105-P271 HydrophobicContact CG2-CB 3.84Å; P271-H282 HydrophobicContact CB-CB 4.12Å; P271-H282 HydrophobicContact CG-CB 4.47Å; P271-I283 WeakPolarHBondContact CA-O 3.5Å; P271-I283 WeakPolarHBondContact CB-O 3.48Å
272	W	97.7	Very high	95.1	Very high	47 Å²	47	51.8 Å²	51.8	18%	0.178	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.4	160.3	-74.4	9.4	0	0	0	108.7	I283 P285 P286 P291 A347 D348 I351	W272-I283 HydrophobicContact CB-CD1 4.18Å; W272-I283 HydrophobicContact CB-CG1 3.92Å; W272-I283 PolarHBondContact N-O 2.9Å; W272-I283 VanDerWaalsContact O-CG1 3.24Å; W272-I283 WeakPolarHBondContact O-CG1 3.42Å; W272-I283 PolarHBondContact O-N 2.94Å; W272-P285 HydrophobicContact CD2-CB 4.19Å; W272-P285 HydrophobicContact CG-CB 4.15Å; W272-P285 HydrophobicContact CZ2-CB 4.49Å; W272-P286 HydrophobicContact CH2-CG 3.94Å; W272-P286 HydrophobicContact CZ2-CG 4.26Å; W272-P286 HydrophobicContact CZ3-CG 4.42Å; W272-P291 HydrophobicContact CE3-CB 4.14Å; W272-P291 HydrophobicContact CE3-CG 3.67Å; W272-P291 HydrophobicContact CH2-CG 4.41Å; W272-P291 HydrophobicContact CZ3-CB 3.79Å; W272-P291 HydrophobicContact CZ3-CG 3.53Å; W272-A347 HydrophobicContact CH2-CB 3.89Å; W272-A347 HydrophobicContact CZ3-CB 4.32Å; W272-D348 WeakPolarHBondContact CH2-OD1 3.36Å; W272-I351 HydrophobicContact CB-CD1 4.46Å; W272-I351 HydrophobicContact CD2-CD1 4.04Å; W272-I351 HydrophobicContact CE3-CD1 3.78Å; W272-I351 HydrophobicContact CE3-CG1 4.13Å; W272-I351 HydrophobicContact CE3-CG2 3.64Å; W272-I351 HydrophobicContact CG-CD1 4.36Å; W272-I351 HydrophobicContact CZ3-CD1 4.27Å; W272-I351 HydrophobicContact CZ3-CG1 4.24Å; W272-I351 HydrophobicContact CZ3-CG2 4.05Å
273	T	97.7	Very high	95.2	Very high	75 Å²	75	47.1 Å²	47.1	46%	0.46	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.7	-178.4	-58.3	0	0	0	0	109.9	K280 M281 H282	T273-K280 HydrophobicContact CG2-CB 4.45Å; T273-M281 CarbonylContact C-O 3.56Å; T273-M281 WeakPolarHBondContact CA-O 3.44Å; T273-H282 PolarHBondContact OG1-ND1 3.08Å
274	V	97.4	Very high	95.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.2	-172	-177.8	0	0	0	0	109.3	L276 M281 I283 A294 R298 I351	V274-L276 HydrophobicContact CG1-CD2 4.23Å; V274-M281 HydrophobicContact CB-CE 4.24Å; V274-M281 HydrophobicContact CG1-CE 4.47Å; V274-M281 PolarHBondContact N-O 3.22Å; V274-M281 PolarHBondContact O-N 3.06Å; V274-I283 HydrophobicContact CG2-CD1 4.05Å; V274-I283 HydrophobicContact CG2-CG1 4.35Å; V274-A294 HydrophobicContact CB-CB 4.42Å; V274-A294 HydrophobicContact CG1-CB 4.06Å; V274-A294 HydrophobicContact CG2-CB 3.83Å; V274-R298 HydrophobicContact CG1-CG 4.38Å; V274-I351 HydrophobicContact CG2-CB 4.14Å; V274-I351 HydrophobicContact CG2-CG2 3.81Å
275	S	95.5	Very high	95.6	Very high	55 Å²	55	45.8 Å²	45.8	39%	0.385	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.8	172.7	166.2	0	0	0	0	110.9	G277 R298	S275-G277 PolarHBondContact OG-O 2.65Å; S275-R298 PolarHBondContact O-NH1 2.81Å
276	L	94.2	Very high	95.7	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	23%	0.226	C	C	.	.			trans	-112.8	51.5	174.2	-63	178.4	0	0	0	110.2	V274 H279 M281 L297 R298	V274-L276 HydrophobicContact CG1-CD2 4.23Å; L276-H279 HydrophobicContact CB-CB 4.46Å; L276-H279 PolarHBondContact N-O 3.07Å; L276-M281 HydrophobicContact CD1-CB 4.2Å; L276-M281 HydrophobicContact CD1-CE 4.15Å; L276-M281 HydrophobicContact CD1-SD 4.01Å; L276-L297 HydrophobicContact CD1-CB 4.27Å; L276-L297 HydrophobicContact CD1-CD1 3.81Å; L276-L297 HydrophobicContact CD2-CB 3.94Å; L276-R298 HydrophobicContact CD2-CG 4.25Å
277	G	89	Confident	95.7	Very high	28 Å²	28	38.3 Å²	38.3	29%	0.289	22%	0.218	S	C	.	.	S	Bend	trans	88.4	-126	-170.2	0	0	0	0	0	108.7	S275 H279 K301	S275-G277 PolarHBondContact OG-O 2.65Å; G277-H279 PolarHBondContact O-N 2.76Å; G277-K301 VanDerWaalsContact N-NZ 3.12Å
278	N	88.6	Confident	95.8	Very high	105 Å²	105	36.6 Å²	36.6	56%	0.561	21%	0.212	S	C	*	.	S	Bend	trans	-82	-2	179.4	-56.5	-17.1	0	0	0	113.1	E466	N278-E466 HydrophobicContact CB-CB 3.81Å; N278-E466 VanDerWaalsContact CB-CD 3.45Å; N278-E466 HydrophobicContact CB-CG 3.95Å; N278-E466 WeakPolarHBondContact CB-OE2 3.43Å; N278-E466 PolarHBondContact ND2-OE1 2.93Å; N278-E466 PolarHBondContact ND2-OE2 2.75Å
279	H	95	Very high	95.8	Very high	41 Å²	41	32.9 Å²	32.9	19%	0.19	19%	0.189	C	C	.	.			trans	-94.5	144.9	174.4	-53.9	92.5	0	0	0	111.1	L276 G277 L463 E464	L276-H279 HydrophobicContact CB-CB 4.46Å; L276-H279 PolarHBondContact N-O 3.07Å; G277-H279 PolarHBondContact O-N 2.76Å; H279-L463 HydrophobicContact CB-CD1 4.24Å; H279-L463 HydrophobicContact CB-CD2 4.12Å; H279-L463 HydrophobicContact CB-CG 4.23Å; H279-E464 WeakPolarHBondContact CA-O 3.37Å
280	K	97.1	Very high	96	Very high	119 Å²	119	30.2 Å²	30.2	52%	0.517	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.1	171.1	-65.6	179	-175.4	173	0	109.4	T273 L463 E464	T273-K280 HydrophobicContact CG2-CB 4.45Å; K280-L463 CarbonylContact O-C 3.5Å; K280-L463 WeakPolarHBondContact O-CA 3.47Å; K280-E464 HydrophobicContact CB-CB 4.39Å; K280-E464 PolarHBondContact N-O 3.02Å; K280-E464 PolarHBondContact O-N 3.1Å
281	M	98.4	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.3	178.7	-171.5	-179.8	63.4	0	0	109.8	T273 V274 L276 I283 L293 A294 L297 L461 L463 L489	T273-M281 CarbonylContact C-O 3.56Å; T273-M281 WeakPolarHBondContact CA-O 3.44Å; V274-M281 HydrophobicContact CB-CE 4.24Å; V274-M281 HydrophobicContact CG1-CE 4.47Å; V274-M281 PolarHBondContact N-O 3.22Å; V274-M281 PolarHBondContact O-N 3.06Å; L276-M281 HydrophobicContact CD1-CB 4.2Å; L276-M281 HydrophobicContact CD1-CE 4.15Å; L276-M281 HydrophobicContact CD1-SD 4.01Å; M281-I283 HydrophobicContact CE-CG2 3.82Å; M281-I283 HydrophobicContact CG-CG2 4.02Å; M281-I283 HydrophobicContact SD-CG2 4.11Å; M281-L293 HydrophobicContact SD-CD2 4.45Å; M281-A294 HydrophobicContact CE-CB 4.02Å; M281-L297 HydrophobicContact CE-CD1 4Å; M281-L297 HydrophobicContact SD-CD1 3.89Å; M281-L461 HydrophobicContact CG-CB 4.48Å; M281-L461 HydrophobicContact CG-CD1 4.25Å; M281-L461 HydrophobicContact SD-CD2 4.22Å; M281-L463 HydrophobicContact CB-CD1 4.3Å; M281-L463 HydrophobicContact CG-CB 4.49Å; M281-L463 HydrophobicContact CG-CD1 4.48Å; M281-L489 HydrophobicContact SD-CD1 4.22Å
282	H	98.7	Very high	96.2	Very high	16 Å²	16	24.6 Å²	24.6	7%	0.074	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122	173.8	-53.9	-78.7	0	0	0	109.4	V103 P271 T273 L461 I462 E464	V103-H282 HydrophobicContact CB-CB 4.48Å; V103-H282 HydrophobicContact CG1-CB 3.92Å; V103-H282 HydrophobicContact CG2-CB 4.38Å; P271-H282 HydrophobicContact CB-CB 4.12Å; P271-H282 HydrophobicContact CG-CB 4.47Å; T273-H282 PolarHBondContact OG1-ND1 3.08Å; H282-L461 VanDerWaalsContact O-CA 3.3Å; H282-L461 WeakPolarHBondContact O-CA 3.47Å; H282-L461 WeakPolarHBondContact O-CB 3.17Å; H282-I462 WeakPolarHBondContact CB-O 3.49Å; H282-I462 PolarHBondContact CD2-O 3.5Å; H282-I462 PolarHBondContact N-O 3.14Å; H282-I462 PolarHBondContact O-N 3.36Å; H282-E464 IonicContact NE2-OE2 3.32Å
283	I	98.5	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.9	-177.2	49.8	161.9	0	0	0	110.2	P271 W272 V274 M281 G290 A294 I351 L461	P271-I283 WeakPolarHBondContact CA-O 3.5Å; P271-I283 WeakPolarHBondContact CB-O 3.48Å; W272-I283 HydrophobicContact CB-CD1 4.18Å; W272-I283 HydrophobicContact CB-CG1 3.92Å; W272-I283 PolarHBondContact N-O 2.9Å; W272-I283 VanDerWaalsContact O-CG1 3.24Å; W272-I283 WeakPolarHBondContact O-CG1 3.42Å; W272-I283 PolarHBondContact O-N 2.94Å; V274-I283 HydrophobicContact CG2-CD1 4.05Å; V274-I283 HydrophobicContact CG2-CG1 4.35Å; M281-I283 HydrophobicContact CE-CG2 3.82Å; M281-I283 HydrophobicContact CG-CG2 4.02Å; M281-I283 HydrophobicContact SD-CG2 4.11Å; I283-G290 VanDerWaalsContact CD1-O 3.27Å; I283-G290 WeakPolarHBondContact CD1-O 3.18Å; I283-A294 HydrophobicContact CD1-CB 3.93Å; I283-I351 HydrophobicContact CD1-CG2 4.41Å; I283-L461 HydrophobicContact CG2-CB 3.91Å
284	A	97.6	Very high	96.2	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.017	11%	0.105	C	C	.	.			trans	-63.7	141.2	167.8	0	0	0	0	0	111.1	I93 V95 V105 S288	I93-A284 HydrophobicContact CG2-CB 3.51Å; V95-A284 HydrophobicContact CG2-CB 4.46Å; V105-A284 HydrophobicContact CG1-CB 3.7Å; V105-A284 HydrophobicContact CG2-CB 4.46Å; A284-S288 VanDerWaalsContact C-OG 3.29Å; A284-S288 WeakPolarHBondContact CB-OG 3.25Å; A284-S288 PolarHBondContact O-OG 2.85Å
285	P	96.1	Very high	96.3	Very high	13 Å²	13	18.8 Å²	18.8	8%	0.084	11%	0.105	C	C	.	.			trans	-69.5	176.3	169.7	30.8	-35.6	0	0	0	111.6	D269 W272 S288	D269-P285 HydrophobicContact CB-CG 4.07Å; W272-P285 HydrophobicContact CD2-CB 4.19Å; W272-P285 HydrophobicContact CG-CB 4.15Å; W272-P285 HydrophobicContact CZ2-CB 4.49Å; P285-S288 WeakPolarHBondContact O-CB 3.37Å; P285-S288 PolarHBondContact O-N 2.87Å; P285-S288 VanDerWaalsContact O-N 3.08Å; P285-S288 PolarHBondContact O-OG 3.27Å
286	P	95.3	Very high	96.4	Very high	9 Å²	9	16.3 Å²	16.3	6%	0.058	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	145.7	165.3	-24.6	33.5	0	0	0	111.8	W272 S288 P291 R337 P339 A347	W272-P286 HydrophobicContact CH2-CG 3.94Å; W272-P286 HydrophobicContact CZ2-CG 4.26Å; W272-P286 HydrophobicContact CZ3-CG 4.42Å; P286-S288 VanDerWaalsContact C-N 3.32Å; P286-P291 HydrophobicContact CG-CG 4.01Å; P286-R337 WeakPolarHBondContact CB-O 3.46Å; P286-P339 VanDerWaalsContact O-CD 3.27Å; P286-P339 WeakPolarHBondContact O-CD 3.13Å; P286-A347 HydrophobicContact CG-CB 3.67Å
287	P	95.1	Very high	96.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.6	11.3	10.9	34.8	-36.8	0	0	0	114.9	I336 Q453 S456	P287-I336 WeakPolarHBondContact O-CG2 3.34Å; P287-Q453 HydrophobicContact CG-CB 4.05Å; P287-S456 PolarHBondContact O-N 2.93Å
288	S	96.5	Very high	97.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-67.2	163.7	177.4	85.4	0	0	0	0	113.4	A284 P285 P286 G290 P291 I336 S456	A284-S288 VanDerWaalsContact C-OG 3.29Å; A284-S288 WeakPolarHBondContact CB-OG 3.25Å; A284-S288 PolarHBondContact O-OG 2.85Å; P285-S288 WeakPolarHBondContact O-CB 3.37Å; P285-S288 PolarHBondContact O-N 2.87Å; P285-S288 VanDerWaalsContact O-N 3.08Å; P285-S288 PolarHBondContact O-OG 3.27Å; P286-S288 VanDerWaalsContact C-N 3.32Å; S288-G290 PolarHBondContact O-N 3.06Å; S288-G290 PolarHBondContact OG-N 3.3Å; S288-P291 WeakPolarHBondContact O-CD 3.47Å; S288-I336 WeakPolarHBondContact O-CG2 3.24Å; S288-S456 CarbonylContact C-O 3.48Å
289	G	96.9	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-78	-2.4	173.8	0	0	0	0	0	114.1	L292 L293 S456 M458 T459	G289-L292 WeakPolarHBondContact O-CB 3.43Å; G289-L292 PolarHBondContact O-N 3.02Å; G289-L293 PolarHBondContact O-N 3.21Å; G289-S456 WeakPolarHBondContact CA-O 3.44Å; G289-S456 PolarHBondContact N-O 3.17Å; G289-S456 VanDerWaalsContact N-O 3.11Å; G289-M458 PolarHBondContact N-O 3.13Å; G289-T459 VanDerWaalsContact C-CG2 3.48Å
290	G	97.9	Very high	97.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-50.9	-46.4	-176.6	0	0	0	0	0	114.1	I283 S288 L292 L293 A294	I283-G290 VanDerWaalsContact CD1-O 3.27Å; I283-G290 WeakPolarHBondContact CD1-O 3.18Å; S288-G290 PolarHBondContact O-N 3.06Å; S288-G290 PolarHBondContact OG-N 3.3Å; G290-L292 VanDerWaalsContact C-N 3.3Å; G290-L292 PolarHBondContact O-N 3.16Å; G290-L293 WeakPolarHBondContact O-CB 3.49Å; G290-L293 PolarHBondContact O-N 3.25Å; G290-L293 VanDerWaalsContact O-N 3.16Å; G290-A294 PolarHBondContact O-N 3.04Å
291	P	98	Very high	97.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.4	-34.4	177.9	-25.9	35.8	0	0	0	113.9	W272 P286 S288 A294 F295 I336 L350	W272-P291 HydrophobicContact CE3-CB 4.14Å; W272-P291 HydrophobicContact CE3-CG 3.67Å; W272-P291 HydrophobicContact CH2-CG 4.41Å; W272-P291 HydrophobicContact CZ3-CB 3.79Å; W272-P291 HydrophobicContact CZ3-CG 3.53Å; P286-P291 HydrophobicContact CG-CG 4.01Å; S288-P291 WeakPolarHBondContact O-CD 3.47Å; P291-A294 PolarHBondContact O-N 3.11Å; P291-F295 WeakPolarHBondContact O-CB 3.41Å; P291-F295 PolarHBondContact O-N 3.22Å; P291-I336 HydrophobicContact CB-CD1 3.93Å; P291-I336 HydrophobicContact CG-CD1 4.15Å; P291-L350 HydrophobicContact CB-CB 4.01Å; P291-L350 HydrophobicContact CB-CD1 3.92Å
292	L	98.1	Very high	97.4	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.021	6%	0.058	C	C	.	.	H	α-helix	trans	-68.9	-38.4	175.4	-63.6	175.4	0	0	0	111.5	G289 G290 F295 I296 Q332 K333 I336 L350 T482	G289-L292 WeakPolarHBondContact O-CB 3.43Å; G289-L292 PolarHBondContact O-N 3.02Å; G290-L292 VanDerWaalsContact C-N 3.3Å; G290-L292 PolarHBondContact O-N 3.16Å; L292-F295 WeakPolarHBondContact O-CB 3.43Å; L292-F295 PolarHBondContact O-N 3.22Å; L292-I296 WeakPolarHBondContact O-CG1 3.46Å; L292-I296 PolarHBondContact O-N 3.19Å; L292-Q332 HydrophobicContact CD2-CB 3.66Å; L292-K333 HydrophobicContact CD1-CG 3.9Å; L292-I336 HydrophobicContact CD1-CG1 3.81Å; L292-I336 HydrophobicContact CD2-CD1 4.31Å; L292-I336 HydrophobicContact CD2-CG1 4.18Å; L292-I336 HydrophobicContact CG-CD1 3.96Å; L292-I336 HydrophobicContact CG-CG1 3.77Å; L292-L350 HydrophobicContact CD2-CD1 4.02Å; L292-T482 HydrophobicContact CB-CG2 3.96Å
293	L	98.5	Very high	97.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.7	-49.3	173.2	172.5	63.5	0	0	0	110.9	M281 G289 G290 F295 I296 L297 T459 L461 T482 V485 A486 L489	M281-L293 HydrophobicContact SD-CD2 4.45Å; G289-L293 PolarHBondContact O-N 3.21Å; G290-L293 WeakPolarHBondContact O-CB 3.49Å; G290-L293 PolarHBondContact O-N 3.25Å; G290-L293 VanDerWaalsContact O-N 3.16Å; L293-F295 VanDerWaalsContact C-N 3.28Å; L293-F295 PolarHBondContact O-N 3.37Å; L293-I296 PolarHBondContact O-N 3.22Å; L293-L297 HydrophobicContact CD1-CD1 3.83Å; L293-L297 HydrophobicContact CD1-CG 4.09Å; L293-L297 HydrophobicContact CG-CD1 3.95Å; L293-L297 WeakPolarHBondContact O-CG 3.3Å; L293-L297 PolarHBondContact O-N 2.94Å; L293-T459 HydrophobicContact CB-CG2 4.14Å; L293-T459 HydrophobicContact CD2-CG2 4.44Å; L293-L461 HydrophobicContact CD2-CD2 3.43Å; L293-L461 VanDerWaalsContact CD2-CD2 3.43Å; L293-T482 HydrophobicContact CB-CG2 4.12Å; L293-V485 HydrophobicContact CD1-CB 4.46Å; L293-V485 HydrophobicContact CD1-CG1 4.12Å; L293-V485 HydrophobicContact CD2-CG1 3.69Å; L293-A486 HydrophobicContact CD1-CB 3.62Å; L293-L489 HydrophobicContact CD1-CD1 4.36Å; L293-L489 HydrophobicContact CD2-CD1 4.32Å
294	A	98.4	Very high	97.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58	-42.4	176.9	0	0	0	0	0	112.1	V274 M281 I283 G290 P291 L297 R298 I351	V274-A294 HydrophobicContact CB-CB 4.42Å; V274-A294 HydrophobicContact CG1-CB 4.06Å; V274-A294 HydrophobicContact CG2-CB 3.83Å; M281-A294 HydrophobicContact CE-CB 4.02Å; I283-A294 HydrophobicContact CD1-CB 3.93Å; G290-A294 PolarHBondContact O-N 3.04Å; P291-A294 PolarHBondContact O-N 3.11Å; A294-L297 PolarHBondContact O-N 3.05Å; A294-R298 WeakPolarHBondContact O-CB 3.46Å; A294-R298 WeakPolarHBondContact O-CG 3.3Å; A294-R298 PolarHBondContact O-N 2.94Å; A294-I351 HydrophobicContact CB-CG2 3.93Å
295	F	98.6	Very high	97	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.8	-49.6	177.3	179.3	-122.9	0	0	0	112.3	P291 L292 L293 L297 R298 I299 F328 A329 Q332 L350 F355 I359	P291-F295 WeakPolarHBondContact O-CB 3.41Å; P291-F295 PolarHBondContact O-N 3.22Å; L292-F295 WeakPolarHBondContact O-CB 3.43Å; L292-F295 PolarHBondContact O-N 3.22Å; L293-F295 VanDerWaalsContact C-N 3.28Å; L293-F295 PolarHBondContact O-N 3.37Å; F295-L297 PolarHBondContact O-N 3.34Å; F295-R298 PolarHBondContact O-N 2.82Å; F295-I299 HydrophobicContact CD1-CD1 4.12Å; F295-I299 HydrophobicContact CD2-CD1 4.1Å; F295-I299 HydrophobicContact CD2-CG1 4.5Å; F295-I299 HydrophobicContact CE1-CD1 3.75Å; F295-I299 HydrophobicContact CE2-CD1 3.7Å; F295-I299 HydrophobicContact CE2-CG1 4.23Å; F295-I299 HydrophobicContact CG-CD1 4.29Å; F295-I299 HydrophobicContact CZ-CD1 3.55Å; F295-I299 WeakPolarHBondContact O-CG1 3.35Å; F295-I299 PolarHBondContact O-N 2.84Å; F295-I299 VanDerWaalsContact O-N 3.09Å; F295-F328 HydrophobicContact CE1-CB 4Å; F295-F328 HydrophobicContact CZ-CB 4.31Å; F295-A329 HydrophobicContact CD1-CB 4.02Å; F295-A329 HydrophobicContact CE1-CB 4.41Å; F295-Q332 HydrophobicContact CD1-CG 4.41Å; F295-Q332 HydrophobicContact CE1-CG 3.95Å; F295-Q332 HydrophobicContact CZ-CG 4.44Å; F295-L350 WeakPolarHBondContact CA-O 3.49Å; F295-L350 HydrophobicContact CB-CB 4.3Å; F295-L350 WeakPolarHBondContact CB-O 3.35Å; F295-L350 HydrophobicContact CD1-CD2 4.46Å; F295-L350 HydrophobicContact CD2-CD2 4.49Å; F295-L350 HydrophobicContact CG-CD2 4.25Å; F295-F355 AromaticContact CD2-CD1 3.98Å; F295-F355 HydrophobicContact CD2-CD1 3.98Å; F295-F355 HydrophobicContact CD2-CE1 4.03Å; F295-F355 AromaticContact CE2-CD1 3.4Å; F295-F355 HydrophobicContact CE2-CD1 3.4Å; F295-F355 VanDerWaalsContact CE2-CD1 3.4Å; F295-F355 AromaticContact CE2-CE1 3.23Å; F295-F355 HydrophobicContact CE2-CE1 3.23Å; F295-F355 HydrophobicContact CE2-CZ 4.32Å; F295-F355 HydrophobicContact CZ-CD1 4.21Å; F295-F355 AromaticContact CZ-CE1 3.55Å; F295-F355 HydrophobicContact CZ-CE1 3.55Å; F295-F355 HydrophobicContact CZ-CZ 4.34Å; F295-I359 HydrophobicContact CE2-CB 4.35Å; F295-I359 HydrophobicContact CE2-CG1 3.97Å; F295-I359 HydrophobicContact CZ-CB 4.2Å; F295-I359 HydrophobicContact CZ-CD1 4.46Å; F295-I359 HydrophobicContact CZ-CG1 3.82Å; F295-I359 HydrophobicContact CZ-CG2 3.99Å
296	I	98.7	Very high	97	Very high	2 Å²	2	19 Å²	19	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-58.3	-50	176.6	-67	167.1	0	0	0	110.5	L292 L293 R298 I299 I300 Y322 A325 A329 T482 A486	L292-I296 WeakPolarHBondContact O-CG1 3.46Å; L292-I296 PolarHBondContact O-N 3.19Å; L293-I296 PolarHBondContact O-N 3.22Å; I296-R298 VanDerWaalsContact C-N 3.35Å; I296-R298 PolarHBondContact O-N 2.97Å; I296-I299 PolarHBondContact O-N 2.75Å; I296-I300 HydrophobicContact CG2-CG1 4.41Å; I296-I300 WeakPolarHBondContact O-CG1 3.48Å; I296-I300 PolarHBondContact O-N 2.63Å; I296-Y322 HydrophobicContact CG2-CE2 4.48Å; I296-A325 HydrophobicContact CG2-CB 4.32Å; I296-A329 HydrophobicContact CD1-CB 3.76Å; I296-A329 HydrophobicContact CG1-CB 3.61Å; I296-T482 HydrophobicContact CD1-CG2 4.04Å; I296-A486 HydrophobicContact CB-CB 4.49Å; I296-A486 HydrophobicContact CG2-CB 3.89Å
297	L	98.6	Very high	97.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-40.1	-177.7	-66.9	173.1	0	0	0	111.9	L276 M281 L293 A294 F295 I300 K301 A486 L489 I490 W494	L276-L297 HydrophobicContact CD1-CB 4.27Å; L276-L297 HydrophobicContact CD1-CD1 3.81Å; L276-L297 HydrophobicContact CD2-CB 3.94Å; M281-L297 HydrophobicContact CE-CD1 4Å; M281-L297 HydrophobicContact SD-CD1 3.89Å; L293-L297 HydrophobicContact CD1-CD1 3.83Å; L293-L297 HydrophobicContact CD1-CG 4.09Å; L293-L297 HydrophobicContact CG-CD1 3.95Å; L293-L297 WeakPolarHBondContact O-CG 3.3Å; L293-L297 PolarHBondContact O-N 2.94Å; A294-L297 PolarHBondContact O-N 3.05Å; F295-L297 PolarHBondContact O-N 3.34Å; L297-I300 PolarHBondContact O-N 3.19Å; L297-K301 WeakPolarHBondContact O-CB 3.41Å; L297-K301 PolarHBondContact O-N 2.82Å; L297-A486 HydrophobicContact CD2-CB 4.47Å; L297-L489 HydrophobicContact CD1-CB 4.42Å; L297-L489 HydrophobicContact CD1-CD1 3.61Å; L297-L489 HydrophobicContact CD2-CB 4.01Å; L297-I490 HydrophobicContact CD2-CD1 4.43Å; L297-I490 HydrophobicContact CD2-CG1 3.91Å; L297-W494 HydrophobicContact CB-CH2 4.23Å; L297-W494 HydrophobicContact CD2-CH2 4.25Å; L297-W494 HydrophobicContact CD2-CZ3 4.28Å; L297-W494 VanDerWaalsContact O-CH2 3.22Å; L297-W494 WeakPolarHBondContact O-CH2 3.43Å
298	R	97.8	Very high	97.2	Very high	33 Å²	33	26.9 Å²	26.9	13%	0.125	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-41.8	177	-76.7	-171.1	174.4	-66.9	6	112.5	V274 S275 L276 A294 F295 I296 I300 K301 G302 I351 A356	V274-R298 HydrophobicContact CG1-CG 4.38Å; S275-R298 PolarHBondContact O-NH1 2.81Å; L276-R298 HydrophobicContact CD2-CG 4.25Å; A294-R298 WeakPolarHBondContact O-CB 3.46Å; A294-R298 WeakPolarHBondContact O-CG 3.3Å; A294-R298 PolarHBondContact O-N 2.94Å; F295-R298 PolarHBondContact O-N 2.82Å; I296-R298 VanDerWaalsContact C-N 3.35Å; I296-R298 PolarHBondContact O-N 2.97Å; R298-I300 VanDerWaalsContact C-N 3.33Å; R298-K301 PolarHBondContact O-N 2.84Å; R298-G302 PolarHBondContact O-N 2.04Å; R298-I351 PolarHBondContact NE-O 2.89Å; R298-I351 PolarHBondContact NH2-O 2.88Å; R298-A356 HydrophobicContact CB-CB 3.49Å; R298-A356 VanDerWaalsContact CB-CB 3.49Å
299	I	98.4	Very high	97.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-48.9	173.9	-68.8	164	0	0	0	109.8	F295 I296 K301 G302 F303 A325 A356 I359 A360 I363	F295-I299 HydrophobicContact CD1-CD1 4.12Å; F295-I299 HydrophobicContact CD2-CD1 4.1Å; F295-I299 HydrophobicContact CD2-CG1 4.5Å; F295-I299 HydrophobicContact CE1-CD1 3.75Å; F295-I299 HydrophobicContact CE2-CD1 3.7Å; F295-I299 HydrophobicContact CE2-CG1 4.23Å; F295-I299 HydrophobicContact CG-CD1 4.29Å; F295-I299 HydrophobicContact CZ-CD1 3.55Å; F295-I299 WeakPolarHBondContact O-CG1 3.35Å; F295-I299 PolarHBondContact O-N 2.84Å; F295-I299 VanDerWaalsContact O-N 3.09Å; I296-I299 PolarHBondContact O-N 2.75Å; I299-K301 VanDerWaalsContact C-N 3.33Å; I299-K301 PolarHBondContact O-N 2.9Å; I299-G302 PolarHBondContact O-N 3.49Å; I299-G302 VanDerWaalsContact O-N 3.12Å; I299-F303 HydrophobicContact CG2-CE2 3.99Å; I299-F303 WeakPolarHBondContact O-CD2 3.49Å; I299-A325 HydrophobicContact CB-CB 4.13Å; I299-A325 HydrophobicContact CD1-CB 4.19Å; I299-A325 HydrophobicContact CG2-CB 3.74Å; I299-A356 HydrophobicContact CG1-CB 4.13Å; I299-I359 HydrophobicContact CD1-CB 4.15Å; I299-I359 HydrophobicContact CD1-CG2 3.55Å; I299-I359 HydrophobicContact CG1-CB 4.31Å; I299-I359 HydrophobicContact CG1-CG2 4.14Å; I299-A360 HydrophobicContact CG2-CB 4.17Å; I299-I363 HydrophobicContact CG2-CD1 3.66Å
300	I	97.9	Very high	97.1	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.015	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-35.7	-176.1	-62.9	-65.4	0	0	0	112.5	I296 L297 R298 G302 F303 L305 R321 A325 I490 W494	I296-I300 HydrophobicContact CG2-CG1 4.41Å; I296-I300 WeakPolarHBondContact O-CG1 3.48Å; I296-I300 PolarHBondContact O-N 2.63Å; L297-I300 PolarHBondContact O-N 3.19Å; R298-I300 VanDerWaalsContact C-N 3.33Å; I300-G302 PolarHBondContact O-N 2.76Å; I300-F303 HydrophobicContact CD1-CD2 4.43Å; I300-F303 PolarHBondContact O-N 2.66Å; I300-L305 HydrophobicContact CG2-CD1 3.41Å; I300-L305 VanDerWaalsContact CG2-CD1 3.41Å; I300-L305 HydrophobicContact CG2-CG 4.16Å; I300-R321 HydrophobicContact CD1-CB 4.21Å; I300-A325 HydrophobicContact CD1-CB 3.98Å; I300-A325 HydrophobicContact CG1-CB 4.19Å; I300-I490 HydrophobicContact CB-CD1 4.27Å; I300-I490 HydrophobicContact CG1-CD1 4.04Å; I300-I490 HydrophobicContact CG2-CD1 3.97Å; I300-I490 HydrophobicContact CG2-CG1 4.01Å; I300-I490 HydrophobicContact CG2-CG2 4.47Å; I300-W494 HydrophobicContact CB-CZ3 3.86Å; I300-W494 HydrophobicContact CG2-CE3 3.84Å; I300-W494 HydrophobicContact CG2-CZ3 3.54Å
301	K	95.4	Very high	97	Very high	81 Å²	81	34.8 Å²	34.8	35%	0.352	21%	0.207	S	C	.	.	H	α-helix	trans	-54.7	-37.1	173.3	-173.2	-170.4	172.9	-161	0	112	G277 L297 R298 I299 F303 S304 W494	G277-K301 VanDerWaalsContact N-NZ 3.12Å; L297-K301 WeakPolarHBondContact O-CB 3.41Å; L297-K301 PolarHBondContact O-N 2.82Å; R298-K301 PolarHBondContact O-N 2.84Å; I299-K301 VanDerWaalsContact C-N 3.33Å; I299-K301 PolarHBondContact O-N 2.9Å; K301-F303 PolarHBondContact O-N 2.67Å; K301-F303 VanDerWaalsContact O-N 3.12Å; K301-S304 PolarHBondContact O-N 3.28Å; K301-S304 VanDerWaalsContact O-N 3.14Å; K301-W494 HydrophobicContact CB-CH2 3.88Å; K301-W494 HydrophobicContact CB-CZ2 3.86Å; K301-W494 HydrophobicContact CG-CZ2 4.14Å
302	G	94.2	Very high	96.8	Very high	44 Å²	44	37.5 Å²	37.5	45%	0.454	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.5	178.4	0	0	0	0	0	114.4	R298 I299 I300	R298-G302 PolarHBondContact O-N 2.04Å; I299-G302 PolarHBondContact O-N 3.49Å; I299-G302 VanDerWaalsContact O-N 3.12Å; I300-G302 PolarHBondContact O-N 2.76Å
303	F	96.1	Very high	96.6	Very high	44 Å²	44	44.1 Å²	44.1	19%	0.193	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	1	179.3	-65.2	-68.4	0	0	0	114.7	I299 I300 K301 L305 R321 A360 I363	I299-F303 HydrophobicContact CG2-CE2 3.99Å; I299-F303 WeakPolarHBondContact O-CD2 3.49Å; I300-F303 HydrophobicContact CD1-CD2 4.43Å; I300-F303 PolarHBondContact O-N 2.66Å; K301-F303 PolarHBondContact O-N 2.67Å; K301-F303 VanDerWaalsContact O-N 3.12Å; F303-L305 HydrophobicContact CB-CD2 4.28Å; F303-L305 PolarHBondContact O-N 3.36Å; F303-R321 HydrophobicContact CD1-CG 4.27Å; F303-R321 HydrophobicContact CD2-CB 4.09Å; F303-R321 HydrophobicContact CD2-CG 4.19Å; F303-R321 HydrophobicContact CE1-CG 4.15Å; F303-R321 HydrophobicContact CE2-CB 4.03Å; F303-R321 HydrophobicContact CE2-CG 4.08Å; F303-R321 HydrophobicContact CG-CG 4.29Å; F303-R321 HydrophobicContact CZ-CB 4.48Å; F303-R321 HydrophobicContact CZ-CG 4.06Å; F303-A360 HydrophobicContact CE2-CB 4.4Å; F303-A360 HydrophobicContact CZ-CB 4.28Å; F303-I363 HydrophobicContact CE2-CD1 3.99Å; F303-I363 HydrophobicContact CZ-CB 4.18Å; F303-I363 HydrophobicContact CZ-CD1 4Å; F303-I363 HydrophobicContact CZ-CG2 4.28Å
304	S	94.3	Very high	96.5	Very high	97 Å²	97	49.8 Å²	49.8	68%	0.678	29%	0.29	S	S	*	.			trans	49.6	53.8	173.9	-56.1	0	0	0	0	113.6	K301	K301-S304 PolarHBondContact O-N 3.28Å; K301-S304 VanDerWaalsContact O-N 3.14Å
305	L	95.6	Very high	96.5	Very high	17 Å²	17	52 Å²	52	9%	0.089	30%	0.3	C	S	.	.			trans	-63.5	148.7	-179.4	-58.7	-175.7	0	0	0	111.9	I300 F303 M318 I490 W494 L495	I300-L305 HydrophobicContact CG2-CD1 3.41Å; I300-L305 VanDerWaalsContact CG2-CD1 3.41Å; I300-L305 HydrophobicContact CG2-CG 4.16Å; F303-L305 HydrophobicContact CB-CD2 4.28Å; F303-L305 PolarHBondContact O-N 3.36Å; L305-M318 HydrophobicContact CD1-CG 4.14Å; L305-M318 HydrophobicContact CD2-CG 4.4Å; L305-I490 HydrophobicContact CD1-CG2 3.8Å; L305-W494 HydrophobicContact CB-CB 4Å; L305-W494 HydrophobicContact CD1-CE3 4.49Å; L305-L495 HydrophobicContact CB-CD2 3.98Å; L305-L495 HydrophobicContact CD1-CD2 4.41Å
306	T	96.6	Very high	96.4	Very high	66 Å²	66	52.8 Å²	52.8	41%	0.405	30%	0.303	S	S	.	.			trans	-141.6	168.4	178.7	56.4	0	0	0	0	109.5	D308 S309 W494 L495	T306-D308 PolarHBondContact O-N 2.93Å; T306-D308 VanDerWaalsContact O-N 3.12Å; T306-S309 PolarHBondContact N-OG 2.95Å; T306-S309 WeakPolarHBondContact O-CA 3.34Å; T306-S309 WeakPolarHBondContact O-CB 3.36Å; T306-S309 PolarHBondContact O-N 3.41Å; T306-S309 PolarHBondContact O-OG 3.31Å; T306-S309 VanDerWaalsContact O-OG 3.13Å; T306-W494 CarbonylContact C-O 3.57Å; T306-W494 VanDerWaalsContact CA-O 3.3Å; T306-W494 WeakPolarHBondContact CA-O 3.4Å; T306-L495 VanDerWaalsContact O-CD2 3.24Å; T306-L495 WeakPolarHBondContact O-CD2 3.43Å
307	P	97.4	Very high	96.4	Very high	75 Å²	75	55 Å²	55	49%	0.487	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-52.1	-33.5	173.6	-28.4	36.3	0	0	0	114	S309 L310	P307-S309 PolarHBondContact O-N 3.17Å; P307-S309 VanDerWaalsContact O-N 3.1Å; P307-L310 PolarHBondContact O-N 2.76Å
308	D	96.7	Very high	96.4	Very high	99 Å²	99	55.2 Å²	55.2	53%	0.529	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-61.9	-18.3	174.9	-75.2	1	0	0	0	113.8	T306 L310 V311 K314	T306-D308 PolarHBondContact O-N 2.93Å; T306-D308 VanDerWaalsContact O-N 3.12Å; D308-L310 PolarHBondContact O-N 3.14Å; D308-V311 PolarHBondContact O-N 2.98Å; D308-K314 WeakPolarHBondContact O-CD 3.36Å
309	S	97.3	Very high	96.4	Very high	16 Å²	16	54.3 Å²	54.3	11%	0.112	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-68.7	-9.2	175.1	-56.9	0	0	0	0	112.8	T306 P307 K314 K315	T306-S309 PolarHBondContact N-OG 2.95Å; T306-S309 WeakPolarHBondContact O-CA 3.34Å; T306-S309 WeakPolarHBondContact O-CB 3.36Å; T306-S309 PolarHBondContact O-N 3.41Å; T306-S309 PolarHBondContact O-OG 3.31Å; T306-S309 VanDerWaalsContact O-OG 3.13Å; P307-S309 PolarHBondContact O-N 3.17Å; P307-S309 VanDerWaalsContact O-N 3.1Å; S309-K314 CarbonylContact O-C 3.55Å; S309-K315 WeakPolarHBondContact O-CA 3.38Å; S309-K315 PolarHBondContact O-N 2.84Å; S309-K315 VanDerWaalsContact O-N 3.16Å
310	L	95.1	Very high	96.4	Very high	52 Å²	52	54.3 Å²	54.3	27%	0.272	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-94.8	6.4	174.2	-68.4	177.5	0	0	0	113.9	P307 D308 K315 M318 L495 M497	P307-L310 PolarHBondContact O-N 2.76Å; D308-L310 PolarHBondContact O-N 3.14Å; L310-K315 HydrophobicContact CD2-CG 4.49Å; L310-M318 HydrophobicContact CD2-CE 4.21Å; L310-L495 HydrophobicContact CD1-CB 3.98Å; L310-L495 HydrophobicContact CD1-CD1 4.3Å; L310-L495 HydrophobicContact CD2-CD1 3.98Å; L310-L495 HydrophobicContact CG-CB 4.42Å; L310-L495 HydrophobicContact CG-CD1 4.17Å; L310-L495 HydrophobicContact CG-CD2 4.37Å; L310-M497 HydrophobicContact CD1-SD 4.43Å
311	V	94.8	Very high	96.4	Very high	98 Å²	98	57.5 Å²	57.5	59%	0.594	32%	0.323	S	S	*	.	S	Bend	trans	-110.1	129.7	-175	-175.5	0	0	0	0	111.9	D308 K314	D308-V311 PolarHBondContact O-N 2.98Å; V311-K314 WeakPolarHBondContact O-CB 3.43Å; V311-K314 PolarHBondContact O-N 3.43Å
312	G	93.6	Very high	96.5	Very high	57 Å²	57	53.8 Å²	53.8	59%	0.588	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	-138.2	173.9	0	0	0	0	0	113.6	K314 K315	G312-K314 PolarHBondContact O-N 2.66Å; G312-K315 VanDerWaalsContact O-CB 3.22Å; G312-K315 WeakPolarHBondContact O-CB 3.5Å; G312-K315 PolarHBondContact O-N 2.94Å
313	E	94.4	Very high	96.8	Very high	143 Å²	143	51.7 Å²	51.7	67%	0.668	29%	0.285	S	S	*	.	H	α-helix	trans	-59.6	-27.1	179.4	-68.2	-58.8	137.5	0	0	113.7	K315 I316 Q317	E313-K315 PolarHBondContact O-N 3.23Å; E313-I316 PolarHBondContact O-N 3.35Å; E313-Q317 PolarHBondContact O-N 3.16Å; E313-Q317 VanDerWaalsContact O-N 3.1Å
314	K	97	Very high	96.9	Very high	119 Å²	119	49.6 Å²	49.6	52%	0.517	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-31.5	176.8	-61.1	177.8	178.1	176.1	0	111.4	D308 S309 V311 G312 Q317 M318	D308-K314 WeakPolarHBondContact O-CD 3.36Å; S309-K314 CarbonylContact O-C 3.55Å; V311-K314 WeakPolarHBondContact O-CB 3.43Å; V311-K314 PolarHBondContact O-N 3.43Å; G312-K314 PolarHBondContact O-N 2.66Å; K314-Q317 PolarHBondContact O-N 2.9Å; K314-M318 WeakPolarHBondContact O-CB 3.19Å; K314-M318 PolarHBondContact O-N 2.88Å
315	K	97.2	Very high	97.1	Very high	47 Å²	47	45 Å²	45	20%	0.204	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-44.8	175.8	-167.2	-178.5	-177.1	-179.3	0	111.5	S309 L310 G312 E313 Q317 M318 Y319 D523 V526	S309-K315 WeakPolarHBondContact O-CA 3.38Å; S309-K315 PolarHBondContact O-N 2.84Å; S309-K315 VanDerWaalsContact O-N 3.16Å; L310-K315 HydrophobicContact CD2-CG 4.49Å; G312-K315 VanDerWaalsContact O-CB 3.22Å; G312-K315 WeakPolarHBondContact O-CB 3.5Å; G312-K315 PolarHBondContact O-N 2.94Å; E313-K315 PolarHBondContact O-N 3.23Å; K315-Q317 VanDerWaalsContact C-N 3.33Å; K315-Q317 PolarHBondContact O-N 3.21Å; K315-M318 PolarHBondContact O-N 3.4Å; K315-Y319 HydrophobicContact CG-CD2 4.1Å; K315-Y319 HydrophobicContact CG-CE2 3.84Å; K315-Y319 WeakPolarHBondContact O-CD2 3.45Å; K315-Y319 PolarHBondContact O-N 3.47Å; K315-Y319 VanDerWaalsContact O-N 3.16Å; K315-D523 IonicContact NZ-OD2 2.75Å; K315-D523 PolarHBondContact NZ-OD2 3.07Å; K315-V526 HydrophobicContact CD-CG2 3.72Å; K315-V526 HydrophobicContact CG-CG2 3.95Å
316	I	98.1	Very high	97.2	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.077	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-45.5	176.2	-63.2	163.7	0	0	0	109.6	E313 M318 Y319 H320 V526 L530 L533	E313-I316 PolarHBondContact O-N 3.35Å; I316-M318 PolarHBondContact O-N 2.93Å; I316-Y319 PolarHBondContact O-N 3.17Å; I316-H320 VanDerWaalsContact O-CB 3.31Å; I316-H320 WeakPolarHBondContact O-CB 3.49Å; I316-H320 PolarHBondContact O-N 3.13Å; I316-V526 HydrophobicContact CG1-CG2 4.49Å; I316-L530 HydrophobicContact CG2-CD2 4.48Å; I316-L533 HydrophobicContact CG2-CD1 3.85Å
317	Q	98	Very high	97.3	Very high	49 Å²	49	41.3 Å²	41.3	23%	0.229	22%	0.222	C	C	.	.	H	α-helix	trans	-64.5	-37.3	178.7	-73.2	-65.8	-32.4	0	0	113.5	E313 K314 K315 R321 S365	E313-Q317 PolarHBondContact O-N 3.16Å; E313-Q317 VanDerWaalsContact O-N 3.1Å; K314-Q317 PolarHBondContact O-N 2.9Å; K315-Q317 VanDerWaalsContact C-N 3.33Å; K315-Q317 PolarHBondContact O-N 3.21Å; Q317-R321 WeakPolarHBondContact O-CD 3.47Å; Q317-R321 VanDerWaalsContact O-CG 3.24Å; Q317-R321 WeakPolarHBondContact O-CG 3.06Å; Q317-R321 PolarHBondContact O-N 2.77Å; Q317-S365 PolarHBondContact NE2-O 3.31Å; Q317-S365 PolarHBondContact OE1-O 3.2Å
318	M	97.6	Very high	97.4	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.02	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-52.7	173.4	173.9	-74.3	-147	0	0	110.3	L305 L310 K314 K315 I316 H320 R321 Y322 L487 I490 L495	L305-M318 HydrophobicContact CD1-CG 4.14Å; L305-M318 HydrophobicContact CD2-CG 4.4Å; L310-M318 HydrophobicContact CD2-CE 4.21Å; K314-M318 WeakPolarHBondContact O-CB 3.19Å; K314-M318 PolarHBondContact O-N 2.88Å; K315-M318 PolarHBondContact O-N 3.4Å; I316-M318 PolarHBondContact O-N 2.93Å; M318-H320 VanDerWaalsContact C-N 3.34Å; M318-H320 PolarHBondContact O-N 2.93Å; M318-R321 PolarHBondContact O-N 3.43Å; M318-Y322 PolarHBondContact O-N 3.31Å; M318-L487 HydrophobicContact CE-CD1 4.17Å; M318-I490 HydrophobicContact CE-CG2 4.31Å; M318-L495 HydrophobicContact CE-CD1 3.24Å
319	Y	98.2	Very high	97.4	Very high	14 Å²	14	33.7 Å²	33.7	6%	0.055	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-35.5	-178	-75.2	-64.7	0	0	0	112.1	K315 I316 Y322 I323 L487 I508 F522 V526	K315-Y319 HydrophobicContact CG-CD2 4.1Å; K315-Y319 HydrophobicContact CG-CE2 3.84Å; K315-Y319 WeakPolarHBondContact O-CD2 3.45Å; K315-Y319 PolarHBondContact O-N 3.47Å; K315-Y319 VanDerWaalsContact O-N 3.16Å; I316-Y319 PolarHBondContact O-N 3.17Å; Y319-Y322 PolarHBondContact O-N 2.82Å; Y319-I323 WeakPolarHBondContact O-CB 3.49Å; Y319-I323 WeakPolarHBondContact O-CD1 3.19Å; Y319-I323 WeakPolarHBondContact O-CG1 3.37Å; Y319-I323 PolarHBondContact O-N 2.86Å; Y319-L487 HydrophobicContact CE1-CD1 4.26Å; Y319-I508 HydrophobicContact CD1-CD1 3.34Å; Y319-I508 HydrophobicContact CD1-CG1 4.21Å; Y319-I508 HydrophobicContact CE1-CD1 3.95Å; Y319-I508 HydrophobicContact CE1-CG1 4.4Å; Y319-I508 HydrophobicContact CG-CD1 3.76Å; Y319-F522 HydrophobicContact CD1-CZ 4.27Å; Y319-F522 HydrophobicContact CD2-CZ 4.43Å; Y319-F522 HydrophobicContact CE1-CE2 4.44Å; Y319-F522 AromaticContact CE1-CZ 3.8Å; Y319-F522 HydrophobicContact CE1-CZ 3.8Å; Y319-F522 HydrophobicContact CE2-CE1 4.47Å; Y319-F522 AromaticContact CE2-CZ 4Å; Y319-F522 HydrophobicContact CE2-CZ 4Å; Y319-F522 AromaticContact CZ-CZ 3.65Å; Y319-V526 HydrophobicContact CD2-CG1 3.56Å; Y319-V526 HydrophobicContact CD2-CG2 4.39Å; Y319-V526 HydrophobicContact CE2-CG1 4.24Å; Y319-V526 HydrophobicContact CG-CG1 4.15Å
320	H	98.6	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-53	173	173	54.3	0	0	0	111.1	I316 M318 Y322 I323 E324 S364 S367 L530 L533 H535	I316-H320 VanDerWaalsContact O-CB 3.31Å; I316-H320 WeakPolarHBondContact O-CB 3.49Å; I316-H320 PolarHBondContact O-N 3.13Å; M318-H320 VanDerWaalsContact C-N 3.34Å; M318-H320 PolarHBondContact O-N 2.93Å; H320-Y322 VanDerWaalsContact C-N 3.33Å; H320-Y322 PolarHBondContact O-N 3.4Å; H320-I323 PolarHBondContact O-N 3.1Å; H320-E324 WeakPolarHBondContact O-CG 3.32Å; H320-E324 PolarHBondContact O-N 3.47Å; H320-S364 PolarHBondContact NE2-O 3.31Å; H320-S367 PolarHBondContact CE1-O 2.82Å; H320-L530 HydrophobicContact CB-CD2 3.91Å; H320-L533 HydrophobicContact CB-CD1 3.85Å; H320-H535 AromaticContact CE1-NE2 3.69Å; H320-H535 AromaticContact CG-NE2 3.88Å; H320-H535 AromaticContact ND1-CD2 3.92Å; H320-H535 AromaticContact ND1-CE1 3.64Å; H320-H535 AromaticContact ND1-NE2 2.83Å; H320-H535 PolarHBondContact ND1-NE2 3.5Å
321	R	98.4	Very high	97.4	Very high	71 Å²	71	31.5 Å²	31.5	27%	0.268	17%	0.168	S	C	.	.	H	α-helix	trans	-60	-41.9	178.2	-69.5	162.9	-179.2	-174.2	-0.6	112.2	I300 F303 Q317 M318 E324 A325	I300-R321 HydrophobicContact CD1-CB 4.21Å; F303-R321 HydrophobicContact CD1-CG 4.27Å; F303-R321 HydrophobicContact CD2-CB 4.09Å; F303-R321 HydrophobicContact CD2-CG 4.19Å; F303-R321 HydrophobicContact CE1-CG 4.15Å; F303-R321 HydrophobicContact CE2-CB 4.03Å; F303-R321 HydrophobicContact CE2-CG 4.08Å; F303-R321 HydrophobicContact CG-CG 4.29Å; F303-R321 HydrophobicContact CZ-CB 4.48Å; F303-R321 HydrophobicContact CZ-CG 4.06Å; Q317-R321 WeakPolarHBondContact O-CD 3.47Å; Q317-R321 VanDerWaalsContact O-CG 3.24Å; Q317-R321 WeakPolarHBondContact O-CG 3.06Å; Q317-R321 PolarHBondContact O-N 2.77Å; M318-R321 PolarHBondContact O-N 3.43Å; R321-E324 PolarHBondContact O-N 2.62Å; R321-A325 WeakPolarHBondContact O-CB 3.08Å; R321-A325 PolarHBondContact O-N 2.76Å
322	Y	98.5	Very high	97.5	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-47.3	174.4	166.9	-102.6	0	0	0	112.3	I296 M318 Y319 H320 A325 A326 T483 A486 L487 I490 I508	I296-Y322 HydrophobicContact CG2-CE2 4.48Å; M318-Y322 PolarHBondContact O-N 3.31Å; Y319-Y322 PolarHBondContact O-N 2.82Å; H320-Y322 VanDerWaalsContact C-N 3.33Å; H320-Y322 PolarHBondContact O-N 3.4Å; Y322-A325 PolarHBondContact O-N 2.79Å; Y322-A326 PolarHBondContact O-N 3.42Å; Y322-T483 VanDerWaalsContact OH-C 3.32Å; Y322-T483 WeakPolarHBondContact OH-CA 3.41Å; Y322-T483 WeakPolarHBondContact OH-CB 3.47Å; Y322-T483 PolarHBondContact OH-O 3.27Å; Y322-A486 HydrophobicContact CE2-CB 4.25Å; Y322-L487 HydrophobicContact CD1-CD1 4.32Å; Y322-L487 HydrophobicContact CD2-CD1 4.3Å; Y322-L487 HydrophobicContact CE1-CD1 4.35Å; Y322-L487 HydrophobicContact CE2-CB 4.21Å; Y322-L487 HydrophobicContact CE2-CD1 4.32Å; Y322-L487 HydrophobicContact CG-CD1 4.29Å; Y322-I490 HydrophobicContact CD2-CD1 3.71Å; Y322-I490 HydrophobicContact CE2-CD1 4.24Å; Y322-I508 HydrophobicContact CE1-CB 4.07Å; Y322-I508 HydrophobicContact CE1-CG2 4.36Å; Y322-I508 PolarHBondContact OH-O 2.98Å
323	I	98.6	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-46.5	178.5	-70.6	158.9	0	0	0	110.5	Y319 H320 A325 A326 K327 I508 V510 V516 L530 H535	Y319-I323 WeakPolarHBondContact O-CB 3.49Å; Y319-I323 WeakPolarHBondContact O-CD1 3.19Å; Y319-I323 WeakPolarHBondContact O-CG1 3.37Å; Y319-I323 PolarHBondContact O-N 2.86Å; H320-I323 PolarHBondContact O-N 3.1Å; I323-A325 VanDerWaalsContact C-N 3.35Å; I323-A325 PolarHBondContact O-N 2.99Å; I323-A326 PolarHBondContact O-N 3.19Å; I323-K327 HydrophobicContact CG2-CD 4.38Å; I323-K327 HydrophobicContact CG2-CG 4.44Å; I323-K327 WeakPolarHBondContact O-CG 3.05Å; I323-K327 PolarHBondContact O-N 3.46Å; I323-I508 HydrophobicContact CD1-CD1 4.17Å; I323-I508 HydrophobicContact CD1-CG2 4.16Å; I323-I508 HydrophobicContact CG1-CG2 3.9Å; I323-V510 HydrophobicContact CB-CG2 4.24Å; I323-V510 HydrophobicContact CG1-CG2 4.16Å; I323-V510 HydrophobicContact CG2-CG2 3.85Å; I323-V516 HydrophobicContact CD1-CG1 3.69Å; I323-V516 HydrophobicContact CD1-CG2 4.23Å; I323-V516 HydrophobicContact CG1-CG1 4.13Å; I323-V516 HydrophobicContact CG1-CG2 4.47Å; I323-V516 HydrophobicContact CG2-CG2 3.68Å; I323-L530 HydrophobicContact CD1-CD1 3.65Å; I323-L530 HydrophobicContact CD1-CD2 3.83Å; I323-L530 HydrophobicContact CD1-CG 4.32Å; I323-H535 WeakPolarHBondContact CG2-CE1 3.32Å; I323-H535 VanDerWaalsContact CG2-ND1 3.34Å; I323-H535 WeakPolarHBondContact CG2-ND1 3.35Å
324	E	98.8	Very high	97.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-42	178.9	-68.2	-60.3	108.1	0	0	111.9	H320 R321 A326 K327 F328 I363 T368 Y374 H535	H320-E324 WeakPolarHBondContact O-CG 3.32Å; H320-E324 PolarHBondContact O-N 3.47Å; R321-E324 PolarHBondContact O-N 2.62Å; E324-A326 VanDerWaalsContact C-N 3.34Å; E324-A326 PolarHBondContact O-N 3.34Å; E324-K327 PolarHBondContact O-N 2.88Å; E324-K327 WeakPolarHBondContact OE1-CD 3.38Å; E324-K327 IonicContact OE1-NZ 3.85Å; E324-K327 PolarHBondContact OE1-NZ 2.9Å; E324-F328 VanDerWaalsContact O-CD2 3.3Å; E324-F328 WeakPolarHBondContact O-CD2 3.49Å; E324-F328 PolarHBondContact O-N 2.91Å; E324-I363 HydrophobicContact CB-CB 4.47Å; E324-I363 HydrophobicContact CB-CD1 3.96Å; E324-I363 HydrophobicContact CB-CG1 3.93Å; E324-I363 HydrophobicContact CB-CG2 3.81Å; E324-I363 HydrophobicContact CG-CG2 4.03Å; E324-T368 PolarHBondContact OE1-OG1 3.4Å; E324-Y374 VanDerWaalsContact CD-OH 3.23Å; E324-Y374 PolarHBondContact OE1-OH 3.37Å; E324-Y374 WeakPolarHBondContact OE2-CE1 3.36Å; E324-Y374 PolarHBondContact OE2-OH 2.96Å; E324-H535 IonicContact OE1-CE1 3.93Å; E324-H535 PolarHBondContact OE1-CE1 3.37Å; E324-H535 IonicContact OE1-ND1 2.75Å
325	A	98.6	Very high	97.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60	-42.6	173.3	0	0	0	0	0	112.1	I296 I299 I300 R321 Y322 I323 F328 A329	I296-A325 HydrophobicContact CG2-CB 4.32Å; I299-A325 HydrophobicContact CB-CB 4.13Å; I299-A325 HydrophobicContact CD1-CB 4.19Å; I299-A325 HydrophobicContact CG2-CB 3.74Å; I300-A325 HydrophobicContact CD1-CB 3.98Å; I300-A325 HydrophobicContact CG1-CB 4.19Å; R321-A325 WeakPolarHBondContact O-CB 3.08Å; R321-A325 PolarHBondContact O-N 2.76Å; Y322-A325 PolarHBondContact O-N 2.79Å; I323-A325 VanDerWaalsContact C-N 3.35Å; I323-A325 PolarHBondContact O-N 2.99Å; A325-F328 PolarHBondContact O-N 3.46Å; A325-A329 PolarHBondContact O-N 3.16Å
326	A	98.3	Very high	97.1	Very high	3 Å²	3	17.3 Å²	17.3	3%	0.025	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-35.6	176.5	0	0	0	0	0	112.7	Y322 I323 E324 A329 N330 T483 V510	Y322-A326 PolarHBondContact O-N 3.42Å; I323-A326 PolarHBondContact O-N 3.19Å; E324-A326 VanDerWaalsContact C-N 3.34Å; E324-A326 PolarHBondContact O-N 3.34Å; A326-A329 WeakPolarHBondContact O-CB 3.33Å; A326-A329 PolarHBondContact O-N 3.38Å; A326-N330 PolarHBondContact O-N 3.06Å; A326-T483 HydrophobicContact CB-CG2 4.19Å; A326-V510 HydrophobicContact CB-CB 4.03Å; A326-V510 HydrophobicContact CB-CG2 3.79Å
327	K	98.5	Very high	96.8	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.017	8%	0.083	C	C	.	.	H	α-helix	trans	-66.1	-42.3	174.1	-68.2	-179.4	-176.8	158.6	0	112.5	I323 E324 A329 N330 G331 T368 Y374 V510 N514 H535	I323-K327 HydrophobicContact CG2-CD 4.38Å; I323-K327 HydrophobicContact CG2-CG 4.44Å; I323-K327 WeakPolarHBondContact O-CG 3.05Å; I323-K327 PolarHBondContact O-N 3.46Å; E324-K327 PolarHBondContact O-N 2.88Å; E324-K327 WeakPolarHBondContact OE1-CD 3.38Å; E324-K327 IonicContact OE1-NZ 3.85Å; E324-K327 PolarHBondContact OE1-NZ 2.9Å; K327-A329 VanDerWaalsContact C-N 3.28Å; K327-A329 PolarHBondContact O-N 3.34Å; K327-N330 WeakPolarHBondContact O-CB 3.24Å; K327-N330 PolarHBondContact O-N 3.13Å; K327-G331 PolarHBondContact O-N 3.11Å; K327-T368 PolarHBondContact NZ-OG1 3.13Å; K327-Y374 HydrophobicContact CB-CD1 3.63Å; K327-Y374 HydrophobicContact CB-CD2 4.19Å; K327-Y374 HydrophobicContact CB-CE1 3.66Å; K327-Y374 HydrophobicContact CB-CE2 4.22Å; K327-Y374 HydrophobicContact CB-CG 3.91Å; K327-Y374 HydrophobicContact CD-CD2 4.43Å; K327-Y374 HydrophobicContact CD-CE1 4.04Å; K327-Y374 HydrophobicContact CD-CE2 3.76Å; K327-V510 HydrophobicContact CG-CG1 3.72Å; K327-N514 WeakPolarHBondContact CA-OD1 3.46Å; K327-N514 HydrophobicContact CD-CB 3.94Å; K327-N514 WeakPolarHBondContact CE-O 3.12Å; K327-N514 HydrophobicContact CG-CB 3.77Å; K327-H535 PolarHBondContact NZ-CE1 3.37Å; K327-H535 PolarHBondContact NZ-ND1 3.48Å
328	F	98.3	Very high	96.6	Very high	9 Å²	9	16.2 Å²	16.2	4%	0.039	7%	0.072	C	C	.	.	H	α-helix	trans	-59.9	-41.3	171.1	-84.1	-68.9	0	0	0	111.2	F295 E324 A325 N330 G331 Q332 I359 L362 I363 Y373 Y374	F295-F328 HydrophobicContact CE1-CB 4Å; F295-F328 HydrophobicContact CZ-CB 4.31Å; E324-F328 VanDerWaalsContact O-CD2 3.3Å; E324-F328 WeakPolarHBondContact O-CD2 3.49Å; E324-F328 PolarHBondContact O-N 2.91Å; A325-F328 PolarHBondContact O-N 3.46Å; F328-N330 VanDerWaalsContact C-N 3.35Å; F328-N330 PolarHBondContact O-N 3.38Å; F328-G331 PolarHBondContact O-N 3.03Å; F328-G331 VanDerWaalsContact O-N 3.16Å; F328-Q332 WeakPolarHBondContact O-CG 3.04Å; F328-Q332 PolarHBondContact O-N 2.97Å; F328-I359 HydrophobicContact CB-CG2 3.89Å; F328-I359 HydrophobicContact CD1-CD1 4.02Å; F328-I359 HydrophobicContact CD1-CG2 3.84Å; F328-I359 HydrophobicContact CD2-CG2 3.5Å; F328-I359 VanDerWaalsContact CD2-CG2 3.5Å; F328-I359 HydrophobicContact CE1-CD1 4.09Å; F328-I359 HydrophobicContact CE1-CG2 4.19Å; F328-I359 HydrophobicContact CE2-CG2 3.88Å; F328-I359 HydrophobicContact CG-CG2 3.46Å; F328-I359 VanDerWaalsContact CG-CG2 3.46Å; F328-I359 HydrophobicContact CZ-CG2 4.19Å; F328-L362 HydrophobicContact CE1-CD1 4.47Å; F328-L362 HydrophobicContact CE2-CB 4.47Å; F328-L362 HydrophobicContact CZ-CB 3.88Å; F328-L362 HydrophobicContact CZ-CD1 4.35Å; F328-I363 HydrophobicContact CD2-CG1 4.26Å; F328-I363 HydrophobicContact CE2-CG1 3.87Å; F328-Y373 HydrophobicContact CE1-CD1 4.46Å; F328-Y373 HydrophobicContact CE1-CE1 4.16Å; F328-Y373 HydrophobicContact CE2-CE1 4.17Å; F328-Y373 HydrophobicContact CZ-CD1 4.09Å; F328-Y373 AromaticContact CZ-CE1 3.44Å; F328-Y373 HydrophobicContact CZ-CE1 3.44Å; F328-Y373 VanDerWaalsContact CZ-CE1 3.44Å; F328-Y374 AromaticContact CD1-CD1 3.94Å; F328-Y374 HydrophobicContact CD1-CD1 3.94Å; F328-Y374 AromaticContact CD2-CD1 3.93Å; F328-Y374 HydrophobicContact CD2-CD1 3.93Å; F328-Y374 HydrophobicContact CD2-CE1 4.12Å; F328-Y374 HydrophobicContact CE1-CD1 4.06Å; F328-Y374 HydrophobicContact CE2-CD1 4.05Å; F328-Y374 HydrophobicContact CE2-CE1 4.01Å; F328-Y374 AromaticContact CG-CD1 3.89Å; F328-Y374 HydrophobicContact CG-CD1 3.89Å; F328-Y374 HydrophobicContact CZ-CD1 4.13Å; F328-Y374 HydrophobicContact CZ-CE1 4.34Å
329	A	97.8	Very high	96.1	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.033	9%	0.085	C	C	.	.	H	α-helix	trans	-63.5	-37.1	175.8	0	0	0	0	0	112.8	F295 I296 A325 A326 K327 G331 Q332 K333	F295-A329 HydrophobicContact CD1-CB 4.02Å; F295-A329 HydrophobicContact CE1-CB 4.41Å; I296-A329 HydrophobicContact CD1-CB 3.76Å; I296-A329 HydrophobicContact CG1-CB 3.61Å; A325-A329 PolarHBondContact O-N 3.16Å; A326-A329 WeakPolarHBondContact O-CB 3.33Å; A326-A329 PolarHBondContact O-N 3.38Å; K327-A329 VanDerWaalsContact C-N 3.28Å; K327-A329 PolarHBondContact O-N 3.34Å; A329-G331 VanDerWaalsContact C-N 3.27Å; A329-G331 PolarHBondContact O-N 3.24Å; A329-Q332 PolarHBondContact O-N 3.04Å; A329-K333 PolarHBondContact O-N 3.42Å
330	N	96.9	Very high	95.6	Very high	11 Å²	11	20.6 Å²	20.6	6%	0.059	10%	0.101	C	C	.	.	H	α-helix	trans	-57.7	-40.5	172.1	-85.4	-25.5	0	0	0	112	A326 K327 F328 Q332 K333 N511 N514	A326-N330 PolarHBondContact O-N 3.06Å; K327-N330 WeakPolarHBondContact O-CB 3.24Å; K327-N330 PolarHBondContact O-N 3.13Å; F328-N330 VanDerWaalsContact C-N 3.35Å; F328-N330 PolarHBondContact O-N 3.38Å; N330-Q332 PolarHBondContact O-N 3.4Å; N330-K333 VanDerWaalsContact O-CB 3.3Å; N330-K333 WeakPolarHBondContact O-CB 3.42Å; N330-K333 PolarHBondContact O-N 3.09Å; N330-K333 WeakPolarHBondContact OD1-CE 3.43Å; N330-K333 PolarHBondContact OD1-NZ 2.87Å; N330-N511 PolarHBondContact ND2-O 3.11Å; N330-N514 PolarHBondContact ND2-OD1 3.1Å
331	G	96.2	Very high	94.7	Very high	12 Å²	12	20.6 Å²	20.6	12%	0.124	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-25.5	173.3	0	0	0	0	0	115	K327 F328 A329 Y374	K327-G331 PolarHBondContact O-N 3.11Å; F328-G331 PolarHBondContact O-N 3.03Å; F328-G331 VanDerWaalsContact O-N 3.16Å; A329-G331 VanDerWaalsContact C-N 3.27Å; A329-G331 PolarHBondContact O-N 3.24Å; G331-Y374 WeakPolarHBondContact CA-O 3.13Å
332	Q	96	Very high	93.8	Very high	13 Å²	13	18.2 Å²	18.2	6%	0.061	10%	0.095	C	C	.	.	H	α-helix	trans	-90.4	-6.2	-178.8	-59.3	-53.4	-56.8	0	0	113.6	L292 F295 F328 A329 N330 R334 N335 H349 L350	L292-Q332 HydrophobicContact CD2-CB 3.66Å; F295-Q332 HydrophobicContact CD1-CG 4.41Å; F295-Q332 HydrophobicContact CE1-CG 3.95Å; F295-Q332 HydrophobicContact CZ-CG 4.44Å; F328-Q332 WeakPolarHBondContact O-CG 3.04Å; F328-Q332 PolarHBondContact O-N 2.97Å; A329-Q332 PolarHBondContact O-N 3.04Å; N330-Q332 PolarHBondContact O-N 3.4Å; Q332-R334 VanDerWaalsContact C-N 3.25Å; Q332-R334 PolarHBondContact O-N 2.93Å; Q332-R334 VanDerWaalsContact O-N 3.14Å; Q332-N335 VanDerWaalsContact O-CB 3.31Å; Q332-N335 WeakPolarHBondContact O-CB 3.13Å; Q332-N335 PolarHBondContact O-N 3.01Å; Q332-N335 PolarHBondContact OE1-ND2 3.08Å; Q332-H349 PolarHBondContact OE1-NE2 3.11Å; Q332-L350 HydrophobicContact CB-CD1 4.49Å; Q332-L350 HydrophobicContact CB-CD2 3.68Å; Q332-L350 HydrophobicContact CG-CD2 3.59Å
333	K	94.3	Very high	92.5	Very high	19 Å²	19	21.9 Å²	21.9	8%	0.083	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-52.1	-40.1	-176.7	-86.7	-180	168.2	171	0	113	L292 A329 N330 N335 I336 R432	L292-K333 HydrophobicContact CD1-CG 3.9Å; A329-K333 PolarHBondContact O-N 3.42Å; N330-K333 VanDerWaalsContact O-CB 3.3Å; N330-K333 WeakPolarHBondContact O-CB 3.42Å; N330-K333 PolarHBondContact O-N 3.09Å; N330-K333 WeakPolarHBondContact OD1-CE 3.43Å; N330-K333 PolarHBondContact OD1-NZ 2.87Å; K333-N335 PolarHBondContact O-N 3.35Å; K333-N335 VanDerWaalsContact O-N 3.13Å; K333-I336 PolarHBondContact O-N 2.91Å; K333-I336 VanDerWaalsContact O-N 3.08Å; K333-R432 VanDerWaalsContact CB-NH1 3.32Å; K333-R432 VanDerWaalsContact CG-NH1 3.26Å; K333-R432 PolarHBondContact O-NE 3.38Å; K333-R432 PolarHBondContact O-NH2 3.37Å
334	R	92.8	Very high	90.8	Very high	97 Å²	97	25.7 Å²	25.7	37%	0.366	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-65.6	-14.9	178.9	-61.3	-176.5	73.8	-153.6	2.5	114.2	Q332 R337 D434	Q332-R334 VanDerWaalsContact C-N 3.25Å; Q332-R334 PolarHBondContact O-N 2.93Å; Q332-R334 VanDerWaalsContact O-N 3.14Å; R334-R337 WeakPolarHBondContact O-CG 3.4Å; R334-D434 IonicContact CZ-OD1 3Å; R334-D434 IonicContact NH2-OD1 3.31Å; R334-D434 PolarHBondContact NH2-OD1 3.38Å; R334-D434 IonicContact NH2-OD2 3.99Å; R334-D434 PolarHBondContact NH2-OD2 3.46Å
335	N	93.3	Very high	89.8	Confident	37 Å²	37	33 Å²	33	20%	0.198	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-84.6	-15	176	-61.1	-32.3	0	0	0	112.7	Q332 K333 R337 I346	Q332-N335 VanDerWaalsContact O-CB 3.31Å; Q332-N335 WeakPolarHBondContact O-CB 3.13Å; Q332-N335 PolarHBondContact O-N 3.01Å; Q332-N335 PolarHBondContact OE1-ND2 3.08Å; K333-N335 PolarHBondContact O-N 3.35Å; K333-N335 VanDerWaalsContact O-N 3.13Å; N335-R337 PolarHBondContact O-N 3.26Å; N335-I346 HydrophobicContact CB-CG1 4.34Å; N335-I346 WeakPolarHBondContact O-CG2 3.37Å
336	I	94.2	Very high	89.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.			trans	-81.2	101.6	172.6	-53.8	-55.5	0	0	0	108.3	P287 S288 P291 L292 K333 A347 L350 P455	P287-I336 WeakPolarHBondContact O-CG2 3.34Å; S288-I336 WeakPolarHBondContact O-CG2 3.24Å; P291-I336 HydrophobicContact CB-CD1 3.93Å; P291-I336 HydrophobicContact CG-CD1 4.15Å; L292-I336 HydrophobicContact CD1-CG1 3.81Å; L292-I336 HydrophobicContact CD2-CD1 4.31Å; L292-I336 HydrophobicContact CD2-CG1 4.18Å; L292-I336 HydrophobicContact CG-CD1 3.96Å; L292-I336 HydrophobicContact CG-CG1 3.77Å; K333-I336 PolarHBondContact O-N 2.91Å; K333-I336 VanDerWaalsContact O-N 3.08Å; I336-A347 HydrophobicContact CD1-CB 4.47Å; I336-L350 HydrophobicContact CD1-CD1 3.64Å; I336-P455 WeakPolarHBondContact O-CB 3.23Å; I336-P455 WeakPolarHBondContact O-CG 3.38Å
337	R	91.9	Very high	88.9	Confident	40 Å²	40	35.5 Å²	35.5	15%	0.151	19%	0.192	C	C	.	.			trans	-137.3	162.4	-178.1	-57.3	-171.2	77.6	170.1	6.2	110	P286 R334 N335 P339	P286-R337 WeakPolarHBondContact CB-O 3.46Å; R334-R337 WeakPolarHBondContact O-CG 3.4Å; N335-R337 PolarHBondContact O-N 3.26Å; R337-P339 WeakPolarHBondContact O-CD 3.38Å
338	D	92.3	Very high	88.7	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.			trans	-60.1	122	172.6	-177.4	-20.4	0	0	0	109.9	R267 V340 Y341 S342 E452 Q453	R267-D338 IonicContact CZ-OD1 2.76Å; R267-D338 IonicContact CZ-OD2 3.97Å; R267-D338 VanDerWaalsContact CZ-OD2 3.31Å; R267-D338 IonicContact NH1-OD1 3.26Å; R267-D338 PolarHBondContact NH1-OD1 3.33Å; R267-D338 IonicContact NH1-OD2 2.89Å; R267-D338 PolarHBondContact NH1-OD2 3.01Å; R267-D338 IonicContact NH2-OD1 3.74Å; R267-D338 IonicContact NH2-OD2 3.75Å; R267-D338 PolarHBondContact NH2-OD2 3.48Å; D338-V340 PolarHBondContact O-N 3.37Å; D338-V340 WeakPolarHBondContact OD1-CB 3.4Å; D338-V340 PolarHBondContact OD1-N 3.11Å; D338-Y341 HydrophobicContact CB-CD2 4.42Å; D338-Y341 CarbonylContact O-C 3.49Å; D338-Y341 PolarHBondContact O-N 3.08Å; D338-S342 WeakPolarHBondContact O-CB 3.32Å; D338-S342 PolarHBondContact O-N 3.4Å; D338-S342 PolarHBondContact O-OG 3.29Å; D338-E452 HydrophobicContact CB-CG 3.99Å; D338-Q453 PolarHBondContact OD2-N 3.26Å
339	P	87.7	Confident	88.5	Confident	46 Å²	46	40.4 Å²	40.4	30%	0.299	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.4	-176.8	27.5	-35.3	0	0	0	113.7	P286 R337 Y341	P286-P339 VanDerWaalsContact O-CD 3.27Å; P286-P339 WeakPolarHBondContact O-CD 3.13Å; R337-P339 WeakPolarHBondContact O-CD 3.38Å; P339-Y341 PolarHBondContact O-N 3.25Å
340	V	86.8	Confident	88.5	Confident	63 Å²	63	40.2 Å²	40.2	38%	0.382	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.3	172.6	179.2	0	0	0	0	110.8	D338	D338-V340 PolarHBondContact O-N 3.37Å; D338-V340 WeakPolarHBondContact OD1-CB 3.4Å; D338-V340 PolarHBondContact OD1-N 3.11Å
341	Y	81.3	Confident	88.4	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-7	-171.3	-79.6	-87.4	0	0	0	114.7	D338 P339 R437 E438 G439 K440 T450 S451 E452	D338-Y341 HydrophobicContact CB-CD2 4.42Å; D338-Y341 CarbonylContact O-C 3.49Å; D338-Y341 PolarHBondContact O-N 3.08Å; P339-Y341 PolarHBondContact O-N 3.25Å; Y341-R437 HydrophobicContact CD1-CB 3.47Å; Y341-R437 VanDerWaalsContact CD1-CB 3.47Å; Y341-R437 HydrophobicContact CD1-CG 4.21Å; Y341-R437 HydrophobicContact CE1-CB 3.72Å; Y341-R437 WeakPolarHBondContact O-CD 3.24Å; Y341-R437 PolarHBondContact O-NE 3.17Å; Y341-R437 PolarHBondContact O-NH1 3.31Å; Y341-E438 WeakPolarHBondContact CE1-O 3.35Å; Y341-E438 PolarHBondContact OH-O 3.3Å; Y341-G439 VanDerWaalsContact OH-CA 3.24Å; Y341-G439 WeakPolarHBondContact OH-CA 3.49Å; Y341-K440 HydrophobicContact CD1-CD 4.15Å; Y341-K440 HydrophobicContact CD1-CG 4.36Å; Y341-K440 HydrophobicContact CE1-CB 4.31Å; Y341-K440 HydrophobicContact CE1-CD 4.01Å; Y341-K440 HydrophobicContact CE1-CG 3.75Å; Y341-K440 PolarHBondContact OH-N 3.5Å; Y341-T450 PolarHBondContact OH-O 2.9Å; Y341-S451 VanDerWaalsContact CE2-C 3.44Å; Y341-S451 WeakPolarHBondContact OH-CA 3.49Å; Y341-E452 HydrophobicContact CD1-CB 4.2Å; Y341-E452 HydrophobicContact CD1-CG 4.41Å; Y341-E452 HydrophobicContact CD2-CB 3.81Å; Y341-E452 HydrophobicContact CD2-CG 3.98Å; Y341-E452 HydrophobicContact CE1-CB 4.19Å; Y341-E452 VanDerWaalsContact CE2-CA 3.46Å; Y341-E452 HydrophobicContact CE2-CB 3.85Å; Y341-E452 HydrophobicContact CG-CB 3.93Å; Y341-E452 HydrophobicContact CG-CG 3.87Å; Y341-E452 PolarHBondContact OH-N 2.8Å
342	S	78.1	Confident	88.4	Confident	20 Å²	20	44 Å²	44	14%	0.14	23%	0.232	C	C	.	.	S	Bend	trans	-118.9	169.1	173	58.8	0	0	0	0	109.8	D338 S344	D338-S342 WeakPolarHBondContact O-CB 3.32Å; D338-S342 PolarHBondContact O-N 3.4Å; D338-S342 PolarHBondContact O-OG 3.29Å; S342-S344 PolarHBondContact O-N 3.03Å
343	S	71.9	Confident	88.4	Confident	80 Å²	80	46.2 Å²	46.2	56%	0.559	25%	0.248	S	C	*	.			trans	-63.7	121.5	167.3	63.6	0	0	0	0	107.2	K345 I346	S343-K345 PolarHBondContact O-N 3.45Å; S343-I346 WeakPolarHBondContact O-CG2 3.42Å; S343-I346 PolarHBondContact O-N 3.12Å
344	S	62.5	Low	88.5	Confident	79 Å²	79	51 Å²	51	55%	0.552	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-23.2	-174.8	53.6	0	0	0	0	114.2	S342	S342-S344 PolarHBondContact O-N 3.03Å
345	K	77.8	Confident	88.7	Confident	155 Å²	155	48.3 Å²	48.3	67%	0.674	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.3	-178.1	-56.6	-172.9	177.2	-176.6	0	116.3	S343 A347 D348	S343-K345 PolarHBondContact O-N 3.45Å; K345-A347 PolarHBondContact O-N 2.87Å; K345-D348 WeakPolarHBondContact CA-OD2 3.46Å; K345-D348 PolarHBondContact O-N 3.18Å
346	I	85.9	Confident	88.9	Confident	53 Å²	53	46.5 Å²	46.5	27%	0.272	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23	-171.6	-164.2	167	0	0	0	113.4	N335 S343 H349	N335-I346 HydrophobicContact CB-CG1 4.34Å; N335-I346 WeakPolarHBondContact O-CG2 3.37Å; S343-I346 WeakPolarHBondContact O-CG2 3.42Å; S343-I346 PolarHBondContact O-N 3.12Å; I346-H349 PolarHBondContact O-CE1 3.3Å; I346-H349 PolarHBondContact O-ND1 3.39Å; I346-H349 VanDerWaalsContact O-ND1 3.16Å
347	A	92.3	Very high	89	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.008	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-3.1	-178.9	0	0	0	0	0	113.4	W272 P286 I336 K345 H349 L350	W272-A347 HydrophobicContact CH2-CB 3.89Å; W272-A347 HydrophobicContact CZ3-CB 4.32Å; P286-A347 HydrophobicContact CG-CB 3.67Å; I336-A347 HydrophobicContact CD1-CB 4.47Å; K345-A347 PolarHBondContact O-N 2.87Å; A347-H349 PolarHBondContact O-N 3.44Å; A347-L350 HydrophobicContact CB-CD1 4.13Å; A347-L350 VanDerWaalsContact O-CB 3.25Å; A347-L350 WeakPolarHBondContact O-CB 3.13Å; A347-L350 WeakPolarHBondContact O-CG 3.32Å; A347-L350 PolarHBondContact O-N 3.04Å
348	D	93.8	Very high	89.3	Confident	65 Å²	65	55.1 Å²	55.1	35%	0.348	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-61.6	-34.9	-174.4	-70.9	0.8	0	0	0	111.7	W272 K345 L350 I351 D352	W272-D348 WeakPolarHBondContact CH2-OD1 3.36Å; K345-D348 WeakPolarHBondContact CA-OD2 3.46Å; K345-D348 PolarHBondContact O-N 3.18Å; D348-L350 PolarHBondContact O-N 3.17Å; D348-L350 VanDerWaalsContact O-N 3.15Å; D348-I351 WeakPolarHBondContact O-CG1 3.42Å; D348-I351 PolarHBondContact O-N 3.38Å; D348-I351 VanDerWaalsContact O-N 3.14Å; D348-D352 PolarHBondContact O-N 3.1Å
349	H	95.4	Very high	89.6	Confident	52 Å²	52	55.7 Å²	55.7	24%	0.241	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-63.4	-20.4	178.2	69.8	-68.9	0	0	0	112.8	Q332 I346 A347 I351 D352 F355	Q332-H349 PolarHBondContact OE1-NE2 3.11Å; I346-H349 PolarHBondContact O-CE1 3.3Å; I346-H349 PolarHBondContact O-ND1 3.39Å; I346-H349 VanDerWaalsContact O-ND1 3.16Å; A347-H349 PolarHBondContact O-N 3.44Å; H349-I351 PolarHBondContact O-N 3.02Å; H349-D352 WeakPolarHBondContact O-CB 3.38Å; H349-D352 PolarHBondContact O-N 3.08Å; H349-F355 HydrophobicContact CB-CD1 4.45Å; H349-F355 HydrophobicContact CB-CG 4.36Å; H349-F355 AromaticContact CD2-CD1 3.61Å; H349-F355 AromaticContact CD2-CE1 3.37Å; H349-F355 WeakPolarHBondContact CD2-CE1 3.45Å; H349-F355 AromaticContact CD2-CZ 3.6Å; H349-F355 WeakPolarHBondContact O-CB 2.94Å; H349-F355 VanDerWaalsContact O-CD1 3.24Å; H349-F355 WeakPolarHBondContact O-CD1 3.42Å
350	L	96.6	Very high	90.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-69.3	-23.2	177.9	-58.4	178.7	0	0	0	112.7	P291 L292 F295 Q332 I336 A347 D348 F355	P291-L350 HydrophobicContact CB-CB 4.01Å; P291-L350 HydrophobicContact CB-CD1 3.92Å; L292-L350 HydrophobicContact CD2-CD1 4.02Å; F295-L350 WeakPolarHBondContact CA-O 3.49Å; F295-L350 HydrophobicContact CB-CB 4.3Å; F295-L350 WeakPolarHBondContact CB-O 3.35Å; F295-L350 HydrophobicContact CD1-CD2 4.46Å; F295-L350 HydrophobicContact CD2-CD2 4.49Å; F295-L350 HydrophobicContact CG-CD2 4.25Å; Q332-L350 HydrophobicContact CB-CD1 4.49Å; Q332-L350 HydrophobicContact CB-CD2 3.68Å; Q332-L350 HydrophobicContact CG-CD2 3.59Å; I336-L350 HydrophobicContact CD1-CD1 3.64Å; A347-L350 HydrophobicContact CB-CD1 4.13Å; A347-L350 VanDerWaalsContact O-CB 3.25Å; A347-L350 WeakPolarHBondContact O-CB 3.13Å; A347-L350 WeakPolarHBondContact O-CG 3.32Å; A347-L350 PolarHBondContact O-N 3.04Å; D348-L350 PolarHBondContact O-N 3.17Å; D348-L350 VanDerWaalsContact O-N 3.15Å; L350-F355 HydrophobicContact CD2-CE1 4.39Å
351	I	95.7	Very high	90.6	Very high	39 Å²	39	59.8 Å²	59.8	20%	0.2	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-102.3	-0.8	174.6	63	164.2	0	0	0	113.3	W272 V274 I283 A294 R298 D348 H349	W272-I351 HydrophobicContact CB-CD1 4.46Å; W272-I351 HydrophobicContact CD2-CD1 4.04Å; W272-I351 HydrophobicContact CE3-CD1 3.78Å; W272-I351 HydrophobicContact CE3-CG1 4.13Å; W272-I351 HydrophobicContact CE3-CG2 3.64Å; W272-I351 HydrophobicContact CG-CD1 4.36Å; W272-I351 HydrophobicContact CZ3-CD1 4.27Å; W272-I351 HydrophobicContact CZ3-CG1 4.24Å; W272-I351 HydrophobicContact CZ3-CG2 4.05Å; V274-I351 HydrophobicContact CG2-CB 4.14Å; V274-I351 HydrophobicContact CG2-CG2 3.81Å; I283-I351 HydrophobicContact CD1-CG2 4.41Å; A294-I351 HydrophobicContact CB-CG2 3.93Å; R298-I351 PolarHBondContact NE-O 2.89Å; R298-I351 PolarHBondContact NH2-O 2.88Å; D348-I351 WeakPolarHBondContact O-CG1 3.42Å; D348-I351 PolarHBondContact O-N 3.38Å; D348-I351 VanDerWaalsContact O-N 3.14Å; H349-I351 PolarHBondContact O-N 3.02Å
352	D	95.9	Very high	91.4	Very high	62 Å²	62	63.4 Å²	63.4	33%	0.332	32%	0.32	S	S	.	.			trans	-76	121.2	177.2	178.8	2	0	0	0	110.8	D348 H349 L354 F355 A356	D348-D352 PolarHBondContact O-N 3.1Å; H349-D352 WeakPolarHBondContact O-CB 3.38Å; H349-D352 PolarHBondContact O-N 3.08Å; D352-L354 VanDerWaalsContact C-N 3.31Å; D352-L354 PolarHBondContact O-N 2.9Å; D352-L354 PolarHBondContact OD1-N 3.14Å; D352-F355 HydrophobicContact CB-CB 4.19Å; D352-F355 PolarHBondContact O-N 2.91Å; D352-A356 PolarHBondContact O-N 3.13Å
353	P	95.4	Very high	92.3	Very high	60 Å²	60	63.4 Å²	63.4	39%	0.39	32%	0.318	S	S	.	.	H	α-helix	trans	-58.5	-37.4	175.6	24.8	-34.6	0	0	0	113.6	F355 A356 D357	P353-F355 VanDerWaalsContact C-N 3.3Å; P353-F355 PolarHBondContact O-N 3.21Å; P353-A356 PolarHBondContact O-N 2.7Å; P353-D357 VanDerWaalsContact O-CG 3.26Å; P353-D357 PolarHBondContact O-N 3.02Å
354	L	96.7	Very high	93.6	Very high	120 Å²	120	61.2 Å²	61.2	63%	0.628	30%	0.303	S	S	*	.	H	α-helix	trans	-67.3	-34.2	-176.9	-65.1	178.1	0	0	0	112.1	D352 R358	D352-L354 VanDerWaalsContact C-N 3.31Å; D352-L354 PolarHBondContact O-N 2.9Å; D352-L354 PolarHBondContact OD1-N 3.14Å; L354-R358 WeakPolarHBondContact O-CB 3.34Å; L354-R358 PolarHBondContact O-N 2.89Å; L354-R358 VanDerWaalsContact O-N 3.11Å
355	F	97.2	Very high	95.1	Very high	40 Å²	40	61 Å²	61	18%	0.175	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-47.7	174.2	-177	-112.5	0	0	0	110.9	F295 H349 L350 D352 P353 D357 R358 I359	F295-F355 AromaticContact CD2-CD1 3.98Å; F295-F355 HydrophobicContact CD2-CD1 3.98Å; F295-F355 HydrophobicContact CD2-CE1 4.03Å; F295-F355 AromaticContact CE2-CD1 3.4Å; F295-F355 HydrophobicContact CE2-CD1 3.4Å; F295-F355 VanDerWaalsContact CE2-CD1 3.4Å; F295-F355 AromaticContact CE2-CE1 3.23Å; F295-F355 HydrophobicContact CE2-CE1 3.23Å; F295-F355 HydrophobicContact CE2-CZ 4.32Å; F295-F355 HydrophobicContact CZ-CD1 4.21Å; F295-F355 AromaticContact CZ-CE1 3.55Å; F295-F355 HydrophobicContact CZ-CE1 3.55Å; F295-F355 HydrophobicContact CZ-CZ 4.34Å; H349-F355 HydrophobicContact CB-CD1 4.45Å; H349-F355 HydrophobicContact CB-CG 4.36Å; H349-F355 AromaticContact CD2-CD1 3.61Å; H349-F355 AromaticContact CD2-CE1 3.37Å; H349-F355 WeakPolarHBondContact CD2-CE1 3.45Å; H349-F355 AromaticContact CD2-CZ 3.6Å; H349-F355 WeakPolarHBondContact O-CB 2.94Å; H349-F355 VanDerWaalsContact O-CD1 3.24Å; H349-F355 WeakPolarHBondContact O-CD1 3.42Å; L350-F355 HydrophobicContact CD2-CE1 4.39Å; D352-F355 HydrophobicContact CB-CB 4.19Å; D352-F355 PolarHBondContact O-N 2.91Å; P353-F355 VanDerWaalsContact C-N 3.3Å; P353-F355 PolarHBondContact O-N 3.21Å; F355-D357 VanDerWaalsContact C-N 3.34Å; F355-D357 PolarHBondContact O-N 2.96Å; F355-R358 WeakPolarHBondContact O-CB 3.29Å; F355-R358 PolarHBondContact O-N 3.23Å; F355-I359 HydrophobicContact CD1-CG1 4.42Å; F355-I359 HydrophobicContact CD2-CG1 4.48Å; F355-I359 HydrophobicContact CE1-CD1 4.46Å; F355-I359 HydrophobicContact CE1-CG1 4.04Å; F355-I359 HydrophobicContact CE2-CD1 4.09Å; F355-I359 HydrophobicContact CE2-CG1 4.11Å; F355-I359 HydrophobicContact CZ-CD1 3.85Å; F355-I359 HydrophobicContact CZ-CG1 3.88Å; F355-I359 VanDerWaalsContact O-CG1 3.3Å; F355-I359 WeakPolarHBondContact O-CG1 3.43Å; F355-I359 PolarHBondContact O-N 3.08Å
356	A	97.4	Very high	96	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-42.5	176.5	0	0	0	0	0	112.4	R298 I299 D352 P353 R358 I359 A360	R298-A356 HydrophobicContact CB-CB 3.49Å; R298-A356 VanDerWaalsContact CB-CB 3.49Å; I299-A356 HydrophobicContact CG1-CB 4.13Å; D352-A356 PolarHBondContact O-N 3.13Å; P353-A356 PolarHBondContact O-N 2.7Å; A356-R358 VanDerWaalsContact C-N 3.32Å; A356-R358 PolarHBondContact O-N 3.12Å; A356-I359 PolarHBondContact O-N 3.05Å; A356-A360 WeakPolarHBondContact O-CB 3.47Å; A356-A360 PolarHBondContact O-N 2.81Å
357	D	97	Very high	96.5	Very high	66 Å²	66	58.3 Å²	58.3	35%	0.353	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-37.7	177.1	-70.5	-17.4	0	0	0	112.2	P353 F355 A360 R361	P353-D357 VanDerWaalsContact O-CG 3.26Å; P353-D357 PolarHBondContact O-N 3.02Å; F355-D357 VanDerWaalsContact C-N 3.34Å; F355-D357 PolarHBondContact O-N 2.96Å; D357-A360 PolarHBondContact O-N 3.22Å; D357-R361 PolarHBondContact O-N 2.03Å; D357-R361 PolarHBondContact O-NH1 2.79Å
358	R	97.8	Very high	96.8	Very high	155 Å²	155	59.6 Å²	59.6	59%	0.585	31%	0.306	S	S	*	.	H	α-helix	trans	-63.2	-44.8	174.5	-174	-175.8	-60.1	-175.1	0.8	110.8	L354 F355 A356 R361 L362	L354-R358 WeakPolarHBondContact O-CB 3.34Å; L354-R358 PolarHBondContact O-N 2.89Å; L354-R358 VanDerWaalsContact O-N 3.11Å; F355-R358 WeakPolarHBondContact O-CB 3.29Å; F355-R358 PolarHBondContact O-N 3.23Å; A356-R358 VanDerWaalsContact C-N 3.32Å; A356-R358 PolarHBondContact O-N 3.12Å; R358-R361 PolarHBondContact O-N 3.18Å; R358-L362 PolarHBondContact O-N 3.22Å
359	I	98.2	Very high	97	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.062	30%	0.303	C	S	.	.	H	α-helix	trans	-67.4	-40.1	179.5	-62.2	-72	0	0	0	110.8	F295 I299 F328 F355 A356 R361 L362 I363	F295-I359 HydrophobicContact CE2-CB 4.35Å; F295-I359 HydrophobicContact CE2-CG1 3.97Å; F295-I359 HydrophobicContact CZ-CB 4.2Å; F295-I359 HydrophobicContact CZ-CD1 4.46Å; F295-I359 HydrophobicContact CZ-CG1 3.82Å; F295-I359 HydrophobicContact CZ-CG2 3.99Å; I299-I359 HydrophobicContact CD1-CB 4.15Å; I299-I359 HydrophobicContact CD1-CG2 3.55Å; I299-I359 HydrophobicContact CG1-CB 4.31Å; I299-I359 HydrophobicContact CG1-CG2 4.14Å; F328-I359 HydrophobicContact CB-CG2 3.89Å; F328-I359 HydrophobicContact CD1-CD1 4.02Å; F328-I359 HydrophobicContact CD1-CG2 3.84Å; F328-I359 HydrophobicContact CD2-CG2 3.5Å; F328-I359 VanDerWaalsContact CD2-CG2 3.5Å; F328-I359 HydrophobicContact CE1-CD1 4.09Å; F328-I359 HydrophobicContact CE1-CG2 4.19Å; F328-I359 HydrophobicContact CE2-CG2 3.88Å; F328-I359 HydrophobicContact CG-CG2 3.46Å; F328-I359 VanDerWaalsContact CG-CG2 3.46Å; F328-I359 HydrophobicContact CZ-CG2 4.19Å; F355-I359 HydrophobicContact CD1-CG1 4.42Å; F355-I359 HydrophobicContact CD2-CG1 4.48Å; F355-I359 HydrophobicContact CE1-CD1 4.46Å; F355-I359 HydrophobicContact CE1-CG1 4.04Å; F355-I359 HydrophobicContact CE2-CD1 4.09Å; F355-I359 HydrophobicContact CE2-CG1 4.11Å; F355-I359 HydrophobicContact CZ-CD1 3.85Å; F355-I359 HydrophobicContact CZ-CG1 3.88Å; F355-I359 VanDerWaalsContact O-CG1 3.3Å; F355-I359 WeakPolarHBondContact O-CG1 3.43Å; F355-I359 PolarHBondContact O-N 3.08Å; A356-I359 PolarHBondContact O-N 3.05Å; I359-R361 PolarHBondContact O-N 2.86Å; I359-L362 HydrophobicContact CD1-CD1 4.29Å; I359-L362 WeakPolarHBondContact O-CB 3.5Å; I359-L362 PolarHBondContact O-N 2.97Å; I359-I363 PolarHBondContact O-N 3.02Å
360	A	98	Very high	97	Very high	15 Å²	15	62.2 Å²	62.2	12%	0.124	32%	0.32	C	S	.	.	H	α-helix	trans	-57.6	-37	175.4	0	0	0	0	0	112.5	I299 F303 A356 D357 L362 I363	I299-A360 HydrophobicContact CG2-CB 4.17Å; F303-A360 HydrophobicContact CE2-CB 4.4Å; F303-A360 HydrophobicContact CZ-CB 4.28Å; A356-A360 WeakPolarHBondContact O-CB 3.47Å; A356-A360 PolarHBondContact O-N 2.81Å; D357-A360 PolarHBondContact O-N 3.22Å; A360-L362 VanDerWaalsContact C-N 3.28Å; A360-L362 PolarHBondContact O-N 3.24Å; A360-I363 PolarHBondContact O-N 3.37Å
361	R	97.6	Very high	96.9	Very high	180 Å²	180	64.6 Å²	64.6	68%	0.679	33%	0.333	S	S	*	.	H	α-helix	trans	-70.5	-19.3	174.9	-72.2	-172.2	-65	-85	4.3	114.5	D357 R358 I359	D357-R361 PolarHBondContact O-N 2.03Å; D357-R361 PolarHBondContact O-NH1 2.79Å; R358-R361 PolarHBondContact O-N 3.18Å; I359-R361 PolarHBondContact O-N 2.86Å
362	L	97.8	Very high	96.9	Very high	78 Å²	78	66.1 Å²	66.1	41%	0.408	35%	0.347	S	S	.	.	H	α-helix	trans	-82.7	-17.6	175.9	-66.9	-179.1	0	0	0	112.2	F328 R358 I359 A360 S364 Y373	F328-L362 HydrophobicContact CE1-CD1 4.47Å; F328-L362 HydrophobicContact CE2-CB 4.47Å; F328-L362 HydrophobicContact CZ-CB 3.88Å; F328-L362 HydrophobicContact CZ-CD1 4.35Å; R358-L362 PolarHBondContact O-N 3.22Å; I359-L362 HydrophobicContact CD1-CD1 4.29Å; I359-L362 WeakPolarHBondContact O-CB 3.5Å; I359-L362 PolarHBondContact O-N 2.97Å; A360-L362 VanDerWaalsContact C-N 3.28Å; A360-L362 PolarHBondContact O-N 3.24Å; L362-S364 PolarHBondContact O-N 3.11Å; L362-S364 VanDerWaalsContact O-N 3.11Å; L362-Y373 WeakPolarHBondContact CB-OH 3.42Å; L362-Y373 PolarHBondContact O-OH 2.71Å
363	I	98.4	Very high	97	Very high	19 Å²	19	67 Å²	67	10%	0.097	35%	0.346	C	S	.	.			trans	-70.4	109.4	178	-64.6	175.8	0	0	0	109.2	I299 F303 E324 F328 I359 A360	I299-I363 HydrophobicContact CG2-CD1 3.66Å; F303-I363 HydrophobicContact CE2-CD1 3.99Å; F303-I363 HydrophobicContact CZ-CB 4.18Å; F303-I363 HydrophobicContact CZ-CD1 4Å; F303-I363 HydrophobicContact CZ-CG2 4.28Å; E324-I363 HydrophobicContact CB-CB 4.47Å; E324-I363 HydrophobicContact CB-CD1 3.96Å; E324-I363 HydrophobicContact CB-CG1 3.93Å; E324-I363 HydrophobicContact CB-CG2 3.81Å; E324-I363 HydrophobicContact CG-CG2 4.03Å; F328-I363 HydrophobicContact CD2-CG1 4.26Å; F328-I363 HydrophobicContact CE2-CG1 3.87Å; I359-I363 PolarHBondContact O-N 3.02Å; A360-I363 PolarHBondContact O-N 3.37Å
364	S	97.3	Very high	97.1	Very high	34 Å²	34	64.1 Å²	64.1	24%	0.238	33%	0.327	C	S	.	.			trans	-59.3	148.3	168.3	-63.4	0	0	0	0	110.2	H320 L362 S367 H369	H320-S364 PolarHBondContact NE2-O 3.31Å; L362-S364 PolarHBondContact O-N 3.11Å; L362-S364 VanDerWaalsContact O-N 3.11Å; S364-S367 WeakPolarHBondContact CB-O 3.3Å; S364-H369 PolarHBondContact OG-NE2 2.92Å; S364-H369 VanDerWaalsContact OG-NE2 3.14Å
365	S	94.9	Very high	96.9	Very high	75 Å²	75	63.8 Å²	63.8	52%	0.524	33%	0.326	S	S	.	.	S	Bend	trans	-89.2	-13.9	178	59.9	0	0	0	0	114.3	Q317	Q317-S365 PolarHBondContact NE2-O 3.31Å; Q317-S365 PolarHBondContact OE1-O 3.2Å
366	N	96	Very high	96.7	Very high	113 Å²	113	62.4 Å²	62.4	60%	0.604	32%	0.32	S	S	*	.	S	Bend	trans	-131	5.2	-169.2	67.2	-16.3	0	0	0	114.1	L533	N366-L533 VanDerWaalsContact C-CD2 3.48Å; N366-L533 HydrophobicContact CB-CD2 4.49Å; N366-L533 WeakPolarHBondContact O-CD2 3.4Å
367	S	97.8	Very high	96.1	Very high	38 Å²	38	68.7 Å²	68.7	27%	0.266	35%	0.349	S	S	.	.			trans	-158.3	159.7	-177.6	62.8	0	0	0	0	112.8	H320 S364 L533	H320-S367 PolarHBondContact CE1-O 2.82Å; S364-S367 WeakPolarHBondContact CB-O 3.3Å; S367-L533 CarbonylContact C-O 3.56Å; S367-L533 WeakPolarHBondContact CA-O 3.37Å
368	T	98.3	Very high	95.6	Very high	28 Å²	28	72.6 Å²	72.6	17%	0.172	36%	0.363	C	S	.	.			trans	-107.7	164.9	165.2	173.3	0	0	0	0	110.8	E324 K327 Y374 L533 G534	E324-T368 PolarHBondContact OE1-OG1 3.4Å; K327-T368 PolarHBondContact NZ-OG1 3.13Å; T368-Y374 PolarHBondContact OG1-OH 3.04Å; T368-Y374 VanDerWaalsContact OG1-OH 3.05Å; T368-L533 PolarHBondContact N-O 3.42Å; T368-L533 VanDerWaalsContact N-O 3.16Å; T368-G534 WeakPolarHBondContact CG2-O 3.38Å
369	H	97.7	Very high	95	Very high	62 Å²	62	67.4 Å²	67.4	29%	0.287	35%	0.349	S	S	.	.			trans	-112.3	173.2	176	-56.3	-85	0	0	0	112.4	S364 Y373 Y374	S364-H369 PolarHBondContact OG-NE2 2.92Å; S364-H369 VanDerWaalsContact OG-NE2 3.14Å; H369-Y373 VanDerWaalsContact CB-CB 3.42Å; H369-Y373 HydrophobicContact CB-CD1 3.6Å; H369-Y373 HydrophobicContact CB-CD2 4.06Å; H369-Y373 HydrophobicContact CB-CE1 4.35Å; H369-Y373 HydrophobicContact CB-CG 3.42Å; H369-Y373 VanDerWaalsContact CB-CG 3.42Å; H369-Y373 AromaticContact CD2-CD1 3.58Å; H369-Y373 AromaticContact CD2-CE1 3.41Å; H369-Y373 VanDerWaalsContact CD2-CE1 3.41Å; H369-Y373 WeakPolarHBondContact CD2-CE1 3.34Å; H369-Y373 AromaticContact CD2-CG 3.97Å; H369-Y373 AromaticContact CD2-CZ 3.7Å; H369-Y373 AromaticContact CG-CD1 3.65Å; H369-Y373 AromaticContact CG-CD2 3.81Å; H369-Y373 AromaticContact CG-CE1 3.91Å; H369-Y373 AromaticContact CG-CG 3.59Å; H369-Y373 AromaticContact ND1-CD2 3.98Å; H369-Y373 AromaticContact NE2-CE1 3.96Å; H369-Y373 AromaticContact NE2-CZ 3.79Å; H369-Y374 HydrophobicContact CB-CE2 4.12Å; H369-Y374 PolarHBondContact N-OH 2.86Å; H369-Y374 VanDerWaalsContact N-OH 3.09Å; H369-Y374 WeakPolarHBondContact O-CE2 3.33Å
370	D	95.8	Very high	94.3	Very high	111 Å²	111	67.4 Å²	67.4	59%	0.594	35%	0.35	S	S	*	.			trans	-79.4	167.5	171.5	-73.6	-44.8	0	0	0	112.2	S372 Y373 Y374 K536	D370-S372 PolarHBondContact O-N 2.68Å; D370-Y373 VanDerWaalsContact O-CB 3.26Å; D370-Y373 WeakPolarHBondContact O-CB 3.48Å; D370-Y373 PolarHBondContact O-N 2.79Å; D370-Y374 WeakPolarHBondContact O-CD2 3.27Å; D370-K536 IonicContact OD1-NZ 2.72Å
371	N	94.7	Very high	93.7	Very high	50 Å²	50	68.8 Å²	68.8	27%	0.267	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.8	-173.4	-78.4	-13.7	0	0	0	115.6	Y373 Y374 L375 N376 K513 N514	N371-Y373 VanDerWaalsContact C-N 3.27Å; N371-Y373 PolarHBondContact O-N 2.77Å; N371-Y374 PolarHBondContact O-N 3.29Å; N371-L375 PolarHBondContact O-N 2.7Å; N371-N376 HydrophobicContact CB-CB 4.41Å; N371-N376 PolarHBondContact O-N 3.06Å; N371-K513 PolarHBondContact ND2-O 2.96Å; N371-K513 PolarHBondContact OD1-O 3.36Å; N371-N514 WeakPolarHBondContact OD1-CB 3.2Å; N371-N514 PolarHBondContact OD1-ND2 2.85Å
372	S	95.4	Very high	93.3	Very high	71 Å²	71	60.7 Å²	60.7	50%	0.497	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-34.5	176.6	51.9	0	0	0	0	112.7	D370 Y374 L375	D370-S372 PolarHBondContact O-N 2.68Å; S372-Y374 VanDerWaalsContact C-N 3.28Å; S372-Y374 PolarHBondContact O-N 3.21Å; S372-L375 PolarHBondContact O-N 3.2Å; S372-L375 VanDerWaalsContact O-N 3.12Å
373	Y	97.4	Very high	92.7	Very high	79 Å²	79	57.7 Å²	57.7	31%	0.31	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-38	178.8	-176.3	-98.2	0	0	0	112.2	F328 L362 H369 D370 N371 L375	F328-Y373 HydrophobicContact CE1-CD1 4.46Å; F328-Y373 HydrophobicContact CE1-CE1 4.16Å; F328-Y373 HydrophobicContact CE2-CE1 4.17Å; F328-Y373 HydrophobicContact CZ-CD1 4.09Å; F328-Y373 AromaticContact CZ-CE1 3.44Å; F328-Y373 HydrophobicContact CZ-CE1 3.44Å; F328-Y373 VanDerWaalsContact CZ-CE1 3.44Å; L362-Y373 WeakPolarHBondContact CB-OH 3.42Å; L362-Y373 PolarHBondContact O-OH 2.71Å; H369-Y373 VanDerWaalsContact CB-CB 3.42Å; H369-Y373 HydrophobicContact CB-CD1 3.6Å; H369-Y373 HydrophobicContact CB-CD2 4.06Å; H369-Y373 HydrophobicContact CB-CE1 4.35Å; H369-Y373 HydrophobicContact CB-CG 3.42Å; H369-Y373 VanDerWaalsContact CB-CG 3.42Å; H369-Y373 AromaticContact CD2-CD1 3.58Å; H369-Y373 AromaticContact CD2-CE1 3.41Å; H369-Y373 VanDerWaalsContact CD2-CE1 3.41Å; H369-Y373 WeakPolarHBondContact CD2-CE1 3.34Å; H369-Y373 AromaticContact CD2-CG 3.97Å; H369-Y373 AromaticContact CD2-CZ 3.7Å; H369-Y373 AromaticContact CG-CD1 3.65Å; H369-Y373 AromaticContact CG-CD2 3.81Å; H369-Y373 AromaticContact CG-CE1 3.91Å; H369-Y373 AromaticContact CG-CG 3.59Å; H369-Y373 AromaticContact ND1-CD2 3.98Å; H369-Y373 AromaticContact NE2-CE1 3.96Å; H369-Y373 AromaticContact NE2-CZ 3.79Å; D370-Y373 VanDerWaalsContact O-CB 3.26Å; D370-Y373 WeakPolarHBondContact O-CB 3.48Å; D370-Y373 PolarHBondContact O-N 2.79Å; N371-Y373 VanDerWaalsContact C-N 3.27Å; N371-Y373 PolarHBondContact O-N 2.77Å; Y373-L375 VanDerWaalsContact C-N 3.3Å; Y373-L375 PolarHBondContact O-N 3.32Å
374	Y	97.1	Very high	92	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	7.4	179	-48.4	-81.1	0	0	0	113.2	E324 K327 F328 G331 T368 H369 D370 N371 S372 N376	E324-Y374 VanDerWaalsContact CD-OH 3.23Å; E324-Y374 PolarHBondContact OE1-OH 3.37Å; E324-Y374 WeakPolarHBondContact OE2-CE1 3.36Å; E324-Y374 PolarHBondContact OE2-OH 2.96Å; K327-Y374 HydrophobicContact CB-CD1 3.63Å; K327-Y374 HydrophobicContact CB-CD2 4.19Å; K327-Y374 HydrophobicContact CB-CE1 3.66Å; K327-Y374 HydrophobicContact CB-CE2 4.22Å; K327-Y374 HydrophobicContact CB-CG 3.91Å; K327-Y374 HydrophobicContact CD-CD2 4.43Å; K327-Y374 HydrophobicContact CD-CE1 4.04Å; K327-Y374 HydrophobicContact CD-CE2 3.76Å; F328-Y374 AromaticContact CD1-CD1 3.94Å; F328-Y374 HydrophobicContact CD1-CD1 3.94Å; F328-Y374 AromaticContact CD2-CD1 3.93Å; F328-Y374 HydrophobicContact CD2-CD1 3.93Å; F328-Y374 HydrophobicContact CD2-CE1 4.12Å; F328-Y374 HydrophobicContact CE1-CD1 4.06Å; F328-Y374 HydrophobicContact CE2-CD1 4.05Å; F328-Y374 HydrophobicContact CE2-CE1 4.01Å; F328-Y374 AromaticContact CG-CD1 3.89Å; F328-Y374 HydrophobicContact CG-CD1 3.89Å; F328-Y374 HydrophobicContact CZ-CD1 4.13Å; F328-Y374 HydrophobicContact CZ-CE1 4.34Å; G331-Y374 WeakPolarHBondContact CA-O 3.13Å; T368-Y374 PolarHBondContact OG1-OH 3.04Å; T368-Y374 VanDerWaalsContact OG1-OH 3.05Å; H369-Y374 HydrophobicContact CB-CE2 4.12Å; H369-Y374 PolarHBondContact N-OH 2.86Å; H369-Y374 VanDerWaalsContact N-OH 3.09Å; H369-Y374 WeakPolarHBondContact O-CE2 3.33Å; D370-Y374 WeakPolarHBondContact O-CD2 3.27Å; N371-Y374 PolarHBondContact O-N 3.29Å; S372-Y374 VanDerWaalsContact C-N 3.28Å; S372-Y374 PolarHBondContact O-N 3.21Å; Y374-N376 PolarHBondContact O-N 3.4Å
375	L	93.8	Very high	91.4	Very high	113 Å²	113	56.4 Å²	56.4	59%	0.592	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	26.5	-172.8	-52.1	176	0	0	0	114.1	N371 S372 Y373 H377	N371-L375 PolarHBondContact O-N 2.7Å; S372-L375 PolarHBondContact O-N 3.2Å; S372-L375 VanDerWaalsContact O-N 3.12Å; Y373-L375 VanDerWaalsContact C-N 3.3Å; Y373-L375 PolarHBondContact O-N 3.32Å; L375-H377 PolarHBondContact O-N 3.39Å
376	N	92.4	Very high	91.3	Very high	11 Å²	11	53.1 Å²	53.1	6%	0.059	28%	0.28	C	S	.	.			trans	-101.3	53	-175.7	-169.7	25.3	0	0	0	112.4	N371 Y374 S512 N514	N371-N376 HydrophobicContact CB-CB 4.41Å; N371-N376 PolarHBondContact O-N 3.06Å; Y374-N376 PolarHBondContact O-N 3.4Å; N376-S512 PolarHBondContact ND2-O 3.03Å; N376-N514 PolarHBondContact ND2-ND2 2.91Å
377	H	85.9	Confident	91.3	Very high	132 Å²	132	47.7 Å²	47.7	61%	0.611	25%	0.251	S	S	*	.	S	Bend	trans	-71.6	-30.4	-173.5	-54.4	-71.3	0	0	0	114.3	L375	L375-H377 PolarHBondContact O-N 3.39Å
378	K	84.6	Confident	91.4	Very high	148 Å²	148	45.9 Å²	45.9	64%	0.643	24%	0.239	S	C	*	.	S	Bend	trans	-130.5	79.7	-178.3	-67.9	-175	-179.7	-177.7	0	108.5
379	P	85.4	Confident	91.4	Very high	45 Å²	45	44.6 Å²	44.6	29%	0.292	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-66.7	138.8	-176.8	28.1	-35	0	0	0	110.7	S512 K513	P379-S512 WeakPolarHBondContact CB-O 3.37Å; P379-K513 HydrophobicContact CG-CG 4.42Å
380	S	84.8	Confident	91.4	Very high	13 Å²	13	41.6 Å²	41.6	9%	0.091	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.4	147.6	171.1	60.7	0	0	0	0	110.3	C430 S512	S380-C430 WeakPolarHBondContact CB-O 3.37Å; S380-S512 WeakPolarHBondContact O-CB 3.35Å; S380-S512 PolarHBondContact O-OG 3.01Å
381	P	85.8	Confident	91.6	Very high	43 Å²	43	36.3 Å²	36.3	28%	0.279	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-55.7	144.6	170.9	-23.2	34.2	0	0	0	111.3	P125	P125-P381 HydrophobicContact CG-CG 4.32Å; P125-P381 WeakPolarHBondContact O-CG 3.19Å
382	D	88.1	Confident	91.8	Very high	11 Å²	11	34 Å²	34	6%	0.059	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-84	151.4	170.1	-71.3	-54.5	0	0	0	111.3	F128 S479 N511 S512 W540	F128-D382 VanDerWaalsContact CD2-O 3.28Å; F128-D382 WeakPolarHBondContact CD2-O 3.35Å; F128-D382 WeakPolarHBondContact CE2-O 3.37Å; D382-S479 VanDerWaalsContact CA-OG 3.32Å; D382-S479 WeakPolarHBondContact CA-OG 3.22Å; D382-S479 WeakPolarHBondContact CB-OG 3.42Å; D382-S479 WeakPolarHBondContact OD1-CB 3Å; D382-S479 PolarHBondContact OD1-OG 3.32Å; D382-N511 WeakPolarHBondContact OD2-CB 3.24Å; D382-S512 PolarHBondContact OD1-N 2.96Å; D382-S512 WeakPolarHBondContact OD2-CB 3.5Å; D382-S512 PolarHBondContact OD2-N 3.33Å; D382-S512 PolarHBondContact OD2-OG 2.86Å; D382-W540 HydrophobicContact CB-CH2 3.56Å; D382-W540 HydrophobicContact CB-CZ3 3.94Å
383	N	84.6	Confident	91.9	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.08	15%	0.153	C	C	.	.			trans	-137	172.1	-178.4	65.7	23.2	0	0	0	112.2	N406 Q407 D428 G478 S479	N383-N406 PolarHBondContact ND2-OD1 3.04Å; N383-Q407 HydrophobicContact CB-CG 4.12Å; N383-D428 PolarHBondContact ND2-OD1 3.38Å; N383-G478 WeakPolarHBondContact OD1-CA 3.23Å; N383-S479 PolarHBondContact N-OG 2.9Å; N383-S479 PolarHBondContact O-N 3.39Å; N383-S479 PolarHBondContact OD1-N 3.12Å; N383-S479 VanDerWaalsContact OD1-N 3.08Å
384	F	84.1	Confident	91.8	Very high	21 Å²	21	29.5 Å²	29.5	9%	0.092	16%	0.159	C	C	.	.			trans	-137	144.4	176.6	-64.1	-88.2	0	0	0	110.7	F128 Q407 L408 L480 W540 F542	F128-F384 HydrophobicContact CD2-CE2 4.48Å; F128-F384 HydrophobicContact CE1-CD2 4.49Å; F128-F384 HydrophobicContact CE1-CE2 4.03Å; F128-F384 AromaticContact CE2-CD2 3.48Å; F128-F384 HydrophobicContact CE2-CD2 3.48Å; F128-F384 VanDerWaalsContact CE2-CD2 3.48Å; F128-F384 AromaticContact CE2-CE2 3.35Å; F128-F384 HydrophobicContact CE2-CE2 3.35Å; F128-F384 AromaticContact CZ-CD2 3.3Å; F128-F384 HydrophobicContact CZ-CD2 3.3Å; F128-F384 AromaticContact CZ-CE2 3.12Å; F128-F384 HydrophobicContact CZ-CE2 3.12Å; F128-F384 HydrophobicContact CZ-CZ 4.43Å; F384-Q407 CarbonylContact O-C 3.56Å; F384-Q407 WeakPolarHBondContact O-CA 3.43Å; F384-L408 PolarHBondContact O-N 3.34Å; F384-L480 HydrophobicContact CD1-CD1 3.85Å; F384-L480 HydrophobicContact CE1-CD1 3.79Å; F384-W540 AromaticContact CD1-CZ2 3.98Å; F384-W540 HydrophobicContact CD1-CZ2 3.98Å; F384-W540 HydrophobicContact CD2-CH2 4.44Å; F384-W540 HydrophobicContact CD2-CZ2 4.12Å; F384-W540 AromaticContact CE1-CE2 3.38Å; F384-W540 HydrophobicContact CE1-CH2 4.32Å; F384-W540 AromaticContact CE1-CZ2 3.2Å; F384-W540 HydrophobicContact CE1-CZ2 3.2Å; F384-W540 AromaticContact CE1-NE1 3.19Å; F384-W540 AromaticContact CE2-CE2 3.93Å; F384-W540 AromaticContact CE2-CH2 3.71Å; F384-W540 HydrophobicContact CE2-CH2 3.71Å; F384-W540 AromaticContact CE2-CZ2 3.36Å; F384-W540 HydrophobicContact CE2-CZ2 3.36Å; F384-W540 HydrophobicContact CG-CZ2 4.42Å; F384-W540 HydrophobicContact CZ-CD2 4.02Å; F384-W540 AromaticContact CZ-CE2 3.05Å; F384-W540 AromaticContact CZ-CH2 3.7Å; F384-W540 HydrophobicContact CZ-CH2 3.7Å; F384-W540 AromaticContact CZ-CZ2 2.89Å; F384-W540 HydrophobicContact CZ-CZ2 2.89Å; F384-W540 AromaticContact CZ-NE1 3.21Å; F384-F542 HydrophobicContact CE1-CB 4.32Å; F384-F542 VanDerWaalsContact CE1-O 3.3Å; F384-F542 WeakPolarHBondContact CE1-O 3.46Å; F384-F542 HydrophobicContact CZ-CB 4.27Å
385	G	85	Confident	91.7	Very high	5 Å²	5	33.8 Å²	33.8	5%	0.052	18%	0.182	C	C	.	.			trans	158.3	-154	175.1	0	0	0	0	0	110.8	N406 G477 G478	G385-N406 WeakPolarHBondContact CA-O 3.4Å; G385-G477 VanDerWaalsContact O-CA 3.29Å; G385-G477 WeakPolarHBondContact O-CA 3.46Å; G385-G477 PolarHBondContact O-N 3.01Å; G385-G478 PolarHBondContact O-N 2.87Å
386	T	93.3	Very high	91.7	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.031	16%	0.159	C	C	.	.			trans	76	155.2	173.7	-40.5	0	0	0	0	114.4	S85 T402 S403 T404 M458 S476 I481 K565	S85-T386 WeakPolarHBondContact CB-O 3.24Å; S85-T386 WeakPolarHBondContact O-CA 3.4Å; S85-T386 PolarHBondContact O-N 2.82Å; T386-T402 HydrophobicContact CG2-CG2 3.26Å; T386-S403 CarbonylContact C-O 3.58Å; T386-S403 WeakPolarHBondContact CA-O 3.44Å; T386-S403 VanDerWaalsContact CG2-O 3.23Å; T386-S403 WeakPolarHBondContact CG2-O 3.16Å; T386-T404 WeakPolarHBondContact CA-OG1 3.48Å; T386-T404 PolarHBondContact N-OG1 2.84Å; T386-T404 PolarHBondContact OG1-OG1 3.48Å; T386-M458 HydrophobicContact CG2-CG 4.31Å; T386-M458 HydrophobicContact CG2-SD 4.44Å; T386-S476 VanDerWaalsContact C-CB 3.45Å; T386-S476 WeakPolarHBondContact O-CB 3.4Å; T386-I481 HydrophobicContact CG2-CD1 3.92Å; T386-K565 PolarHBondContact O-NZ 3.36Å
387	T	96.7	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	160.4	164.2	-162.3	0	0	0	0	111	D49 L75 T78 M86 S403	D49-T387 WeakPolarHBondContact OD2-CA 3.37Å; D49-T387 WeakPolarHBondContact OD2-CB 3.26Å; D49-T387 PolarHBondContact OD2-OG1 3.29Å; L75-T387 HydrophobicContact CD2-CG2 3.82Å; T78-T387 HydrophobicContact CG2-CG2 4.08Å; M86-T387 HydrophobicContact CB-CG2 4.06Å; M86-T387 HydrophobicContact CG-CG2 3.55Å; T387-S403 PolarHBondContact N-O 3Å; T387-S403 PolarHBondContact O-N 3.1Å; T387-S403 VanDerWaalsContact O-N 3.1Å
388	H	98.3	Very high	92.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.6	168.5	-168.8	71.5	0	0	0	111.2	S390 S400 A401 T402 G474 N548	H388-S390 PolarHBondContact CD2-OG 3.17Å; H388-S390 PolarHBondContact NE2-OG 2.83Å; H388-S400 PolarHBondContact CE1-OG 3.3Å; H388-S400 PolarHBondContact NE2-OG 3.01Å; H388-A401 WeakPolarHBondContact CA-O 3.21Å; H388-A401 PolarHBondContact CE1-N 3.31Å; H388-A401 PolarHBondContact CE1-O 2.98Å; H388-A401 PolarHBondContact ND1-O 3.31Å; H388-T402 PolarHBondContact CE1-OG1 3.4Å; H388-T402 PolarHBondContact ND1-OG1 3.11Å; H388-G474 PolarHBondContact CD2-N 3.1Å; H388-G474 VanDerWaalsContact CE1-CA 3.43Å; H388-G474 WeakPolarHBondContact CE1-CA 3.25Å; H388-G474 VanDerWaalsContact CG-C 3.48Å; H388-G474 WeakPolarHBondContact NE2-CA 3.37Å; H388-G474 PolarHBondContact NE2-N 3.21Å; H388-G474 VanDerWaalsContact NE2-N 3.13Å; H388-N548 PolarHBondContact CD2-O 3.32Å; H388-N548 PolarHBondContact O-ND2 3.21Å
389	V	98.7	Very high	93.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129	171.8	178	0	0	0	0	108.8	V46 S47 A48 A74 L75 V391 A401	V46-V389 HydrophobicContact CG1-CG1 4.29Å; S47-V389 WeakPolarHBondContact O-CA 3.47Å; A48-V389 HydrophobicContact CB-CG2 3.98Å; A74-V389 HydrophobicContact CB-CG1 4.06Å; A74-V389 HydrophobicContact CB-CG2 4.33Å; L75-V389 HydrophobicContact CD2-CB 4.25Å; L75-V389 HydrophobicContact CD2-CG2 3.64Å; L75-V389 HydrophobicContact CG-CB 4.43Å; L75-V389 HydrophobicContact CG-CG2 4.02Å; V389-V391 HydrophobicContact CG1-CG2 3.77Å; V389-A401 PolarHBondContact N-O 3.05Å; V389-A401 PolarHBondContact O-N 3.04Å
390	S	98.8	Very high	93.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.5	170.1	-75.6	0	0	0	0	109.2	V46 S47 H388 V399 N548 L550	V46-S390 WeakPolarHBondContact CA-O 3.06Å; S47-S390 PolarHBondContact N-O 2.87Å; S47-S390 PolarHBondContact O-N 3.43Å; H388-S390 PolarHBondContact CD2-OG 3.17Å; H388-S390 PolarHBondContact NE2-OG 2.83Å; S390-V399 CarbonylContact C-O 3.54Å; S390-V399 WeakPolarHBondContact CA-O 3.43Å; S390-N548 PolarHBondContact OG-O 3.32Å; S390-L550 WeakPolarHBondContact O-CD1 3.22Å
391	V	98.9	Very high	94.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.3	-178.5	-171.5	0	0	0	0	110.9	A45 V46 L61 A67 A71 V389 A398 V399	A45-V391 WeakPolarHBondContact O-CA 3.36Å; V46-V391 HydrophobicContact CG1-CG2 4.18Å; V46-V391 HydrophobicContact CG2-CG1 3.99Å; V46-V391 HydrophobicContact CG2-CG2 4.15Å; L61-V391 HydrophobicContact CD1-CG1 3.81Å; L61-V391 HydrophobicContact CD2-CG1 4.33Å; A67-V391 HydrophobicContact CB-CB 4.2Å; A67-V391 HydrophobicContact CB-CG1 3.78Å; A71-V391 HydrophobicContact CB-CG2 3.83Å; V389-V391 HydrophobicContact CG1-CG2 3.77Å; V391-A398 CarbonylContact O-C 3.55Å; V391-A398 WeakPolarHBondContact O-CA 3.43Å; V391-V399 HydrophobicContact CB-CB 4.43Å; V391-V399 PolarHBondContact N-O 3.06Å; V391-V399 PolarHBondContact O-N 3.37Å
392	I	98.7	Very high	95.2	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.2	165.2	-62.8	176.8	0	0	0	107.4	A44 A45 L397 A398 I470 V472 L550 K552 I557	A44-I392 VanDerWaalsContact CA-O 3.27Å; A44-I392 WeakPolarHBondContact CA-O 3.46Å; A44-I392 WeakPolarHBondContact CB-O 3.41Å; A45-I392 PolarHBondContact N-O 2.99Å; A45-I392 PolarHBondContact O-N 2.92Å; I392-L397 WeakPolarHBondContact CA-O 3.26Å; I392-A398 HydrophobicContact CG1-CB 4.21Å; I392-I470 HydrophobicContact CD1-CD1 4.11Å; I392-I470 HydrophobicContact CD1-CG1 4.31Å; I392-V472 HydrophobicContact CD1-CG2 3.85Å; I392-V472 HydrophobicContact CG1-CG2 3.8Å; I392-L550 HydrophobicContact CB-CD2 4.22Å; I392-L550 HydrophobicContact CD1-CB 3.76Å; I392-L550 HydrophobicContact CD1-CD2 4.43Å; I392-L550 HydrophobicContact CG1-CB 4.14Å; I392-L550 HydrophobicContact CG1-CD2 4.15Å; I392-K552 HydrophobicContact CD1-CB 3.98Å; I392-K552 HydrophobicContact CG2-CD 4.25Å; I392-I557 HydrophobicContact CB-CD1 4.3Å; I392-I557 HydrophobicContact CD1-CG2 4.43Å; I392-I557 HydrophobicContact CG2-CD1 3.92Å
393	D	98.2	Very high	95.7	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.021	7%	0.066	C	C	.	.			trans	-96.6	173.5	172.9	73.3	17.5	0	0	0	113.4	H43 L61 S66 A67 D395 G396 L397	H43-D393 CarbonylContact O-C 3.55Å; L61-D393 HydrophobicContact CD2-CB 3.89Å; S66-D393 VanDerWaalsContact CA-OD2 3.31Å; S66-D393 WeakPolarHBondContact CA-OD2 3.48Å; A67-D393 HydrophobicContact CB-CB 3.89Å; A67-D393 PolarHBondContact N-OD2 2.74Å; D393-D395 PolarHBondContact O-N 3.23Å; D393-D395 PolarHBondContact OD1-N 2.9Å; D393-G396 PolarHBondContact O-N 3.44Å; D393-G396 VanDerWaalsContact O-N 3.13Å; D393-G396 PolarHBondContact OD1-N 3.29Å; D393-L397 PolarHBondContact N-O 3.01Å; D393-L397 WeakPolarHBondContact OD1-CB 3.43Å; D393-L397 PolarHBondContact OD1-N 3.09Å; D393-L397 VanDerWaalsContact OD2-CB 3.3Å; D393-L397 WeakPolarHBondContact OD2-CB 3.17Å
394	A	95.8	Very high	96.3	Very high	52 Å²	52	9.9 Å²	9.9	43%	0.43	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.2	-178.6	0	0	0	0	0	113.7	H43 G396	H43-A394 HydrophobicContact CB-CB 4.36Å; H43-A394 VanDerWaalsContact O-CA 3.22Å; H43-A394 WeakPolarHBondContact O-CA 3.28Å; H43-A394 PolarHBondContact O-N 2.85Å; A394-G396 VanDerWaalsContact C-N 3.33Å
395	D	94.3	Very high	97	Very high	91 Å²	91	8.9 Å²	8.9	49%	0.487	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.6	-179.5	-67.7	-20.4	0	0	0	112.7	K99 K155 D393	K99-D395 WeakPolarHBondContact CB-O 3.43Å; K155-D395 IonicContact NZ-OD2 3.77Å; K155-D395 PolarHBondContact NZ-OD2 2.77Å; D393-D395 PolarHBondContact O-N 3.23Å; D393-D395 PolarHBondContact OD1-N 2.9Å
396	G	93.8	Very high	97.5	Very high	11 Å²	11	8.8 Å²	8.8	11%	0.113	6%	0.057	C	C	.	.			trans	82	17.6	-179.3	0	0	0	0	0	114.3	D393 A394	D393-G396 PolarHBondContact O-N 3.44Å; D393-G396 VanDerWaalsContact O-N 3.13Å; D393-G396 PolarHBondContact OD1-N 3.29Å; A394-G396 VanDerWaalsContact C-N 3.33Å
397	L	98.3	Very high	97.5	Very high	14 Å²	14	9.1 Å²	9.1	7%	0.073	6%	0.059	C	C	.	.			trans	-70.9	132.5	161.6	-171.5	69.9	0	0	0	107.9	A67 V68 V96 R97 N98 Y153 I392 D393	A67-L397 HydrophobicContact CB-CB 4.02Å; A67-L397 HydrophobicContact CB-CD2 3.99Å; A67-L397 HydrophobicContact CB-CG 3.98Å; A67-L397 VanDerWaalsContact CB-O 3.28Å; A67-L397 WeakPolarHBondContact CB-O 3.41Å; V68-L397 HydrophobicContact CG2-CD2 4.15Å; V96-L397 HydrophobicContact CG1-CD1 3.7Å; V96-L397 HydrophobicContact CG1-CG 4.41Å; R97-L397 WeakPolarHBondContact O-CA 3.39Å; N98-L397 HydrophobicContact CB-CD1 4.07Å; Y153-L397 HydrophobicContact CD1-CD1 3.99Å; Y153-L397 HydrophobicContact CD1-CD2 4.45Å; Y153-L397 HydrophobicContact CE1-CD1 4.29Å; Y153-L397 HydrophobicContact CG-CD1 4.45Å; Y153-L397 HydrophobicContact CG-CD2 4.35Å; I392-L397 WeakPolarHBondContact CA-O 3.26Å; D393-L397 PolarHBondContact N-O 3.01Å; D393-L397 WeakPolarHBondContact OD1-CB 3.43Å; D393-L397 PolarHBondContact OD1-N 3.09Å; D393-L397 VanDerWaalsContact OD2-CB 3.3Å; D393-L397 WeakPolarHBondContact OD2-CB 3.17Å
398	A	98.8	Very high	97.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.2	-179.5	0	0	0	0	0	110.2	V96 R97 V391 I392 I462 I470 V472	V96-A398 CarbonylContact C-O 3.47Å; V96-A398 WeakPolarHBondContact CA-O 3.37Å; R97-A398 HydrophobicContact CB-CB 4.32Å; R97-A398 PolarHBondContact N-O 3.42Å; R97-A398 PolarHBondContact O-N 2.93Å; V391-A398 CarbonylContact O-C 3.55Å; V391-A398 WeakPolarHBondContact O-CA 3.43Å; I392-A398 HydrophobicContact CG1-CB 4.21Å; A398-I462 HydrophobicContact CB-CD1 4.1Å; A398-I470 HydrophobicContact CB-CD1 3.94Å; A398-V472 HydrophobicContact CB-CG2 3.66Å
399	V	98.9	Very high	97.2	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.1	-176.8	179.6	0	0	0	0	109.3	A67 V68 A71 V94 V96 S390 V391 A401 V472	A67-V399 HydrophobicContact CB-CG2 3.8Å; V68-V399 HydrophobicContact CG2-CG2 3.7Å; A71-V399 HydrophobicContact CB-CB 4.37Å; A71-V399 HydrophobicContact CB-CG1 3.83Å; V94-V399 HydrophobicContact CG1-CG1 3.68Å; V96-V399 HydrophobicContact CG1-CG2 4.38Å; V96-V399 HydrophobicContact CG2-CG2 4.33Å; S390-V399 CarbonylContact C-O 3.54Å; S390-V399 WeakPolarHBondContact CA-O 3.43Å; V391-V399 HydrophobicContact CB-CB 4.43Å; V391-V399 PolarHBondContact N-O 3.06Å; V391-V399 PolarHBondContact O-N 3.37Å; V399-A401 HydrophobicContact CG1-CB 4.25Å; V399-V472 VanDerWaalsContact O-CG1 3.28Å; V399-V472 WeakPolarHBondContact O-CG1 3.32Å
400	S	98.9	Very high	97	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.9	167.7	175.5	0	0	0	0	107.9	V94 V95 H388 P460 L461 M473	V94-S400 CarbonylContact C-O 3.29Å; V94-S400 WeakPolarHBondContact CA-O 3.5Å; V95-S400 PolarHBondContact N-O 2.74Å; V95-S400 PolarHBondContact O-N 2.78Å; H388-S400 PolarHBondContact CE1-OG 3.3Å; H388-S400 PolarHBondContact NE2-OG 3.01Å; S400-P460 WeakPolarHBondContact O-CB 3.14Å; S400-P460 VanDerWaalsContact OG-CA 3.26Å; S400-P460 WeakPolarHBondContact OG-CA 3.31Å; S400-P460 VanDerWaalsContact OG-CB 3.29Å; S400-P460 WeakPolarHBondContact OG-CB 3.21Å; S400-L461 WeakPolarHBondContact CB-O 3.37Å; S400-L461 PolarHBondContact OG-N 3.47Å; S400-L461 VanDerWaalsContact OG-N 3.1Å; S400-L461 PolarHBondContact OG-O 2.79Å; S400-M473 PolarHBondContact OG-O 3.01Å
401	A	98.8	Very high	96.9	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.008	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119	-172.4	0	0	0	0	0	111.2	L75 V94 H388 V389 V399	L75-A401 HydrophobicContact CD1-CB 4.09Å; V94-A401 HydrophobicContact CG1-CB 4.16Å; V94-A401 HydrophobicContact CG2-CB 3.91Å; H388-A401 WeakPolarHBondContact CA-O 3.21Å; H388-A401 PolarHBondContact CE1-N 3.31Å; H388-A401 PolarHBondContact CE1-O 2.98Å; H388-A401 PolarHBondContact ND1-O 3.31Å; V389-A401 PolarHBondContact N-O 3.05Å; V389-A401 PolarHBondContact O-N 3.04Å; V399-A401 HydrophobicContact CG1-CB 4.25Å
402	T	98.6	Very high	96.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.8	172.4	-51.6	0	0	0	0	108.9	S92 I93 T386 H388 M458 G475	S92-T402 VanDerWaalsContact CA-O 3.27Å; S92-T402 WeakPolarHBondContact CA-O 3.49Å; S92-T402 VanDerWaalsContact CB-O 3.23Å; S92-T402 WeakPolarHBondContact CB-O 3.5Å; I93-T402 PolarHBondContact N-O 3.15Å; I93-T402 PolarHBondContact O-N 3.33Å; T386-T402 HydrophobicContact CG2-CG2 3.26Å; H388-T402 PolarHBondContact CE1-OG1 3.4Å; H388-T402 PolarHBondContact ND1-OG1 3.11Å; T402-M458 HydrophobicContact CG2-CB 3.83Å; T402-M458 HydrophobicContact CG2-CG 3.45Å; T402-M458 VanDerWaalsContact CG2-CG 3.45Å; T402-M458 HydrophobicContact CG2-SD 3.6Å; T402-G475 WeakPolarHBondContact CG2-O 3.28Å
403	S	98.2	Very high	96.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.4	-173.1	172.5	0	0	0	0	110.8	M86 S92 E142 T386 T387	M86-S403 WeakPolarHBondContact CE-OG 2.96Å; S92-S403 WeakPolarHBondContact OG-CA 3.4Å; S92-S403 WeakPolarHBondContact OG-CB 3.43Å; S92-S403 PolarHBondContact OG-OG 3.47Å; E142-S403 PolarHBondContact OE1-OG 3.34Å; T386-S403 CarbonylContact C-O 3.58Å; T386-S403 WeakPolarHBondContact CA-O 3.44Å; T386-S403 VanDerWaalsContact CG2-O 3.23Å; T386-S403 WeakPolarHBondContact CG2-O 3.16Å; T387-S403 PolarHBondContact N-O 3Å; T387-S403 PolarHBondContact O-N 3.1Å; T387-S403 VanDerWaalsContact O-N 3.1Å
404	T	98.1	Very high	96.6	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.012	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	160.2	-174.9	-159.5	0	0	0	0	113.2	S85 G90 G91 T386 N406 E425 M458	S85-T404 WeakPolarHBondContact O-CA 3.33Å; G90-T404 VanDerWaalsContact CA-O 3.27Å; G90-T404 WeakPolarHBondContact CA-O 3.25Å; G91-T404 PolarHBondContact N-O 3.25Å; G91-T404 PolarHBondContact O-N 3.16Å; T386-T404 WeakPolarHBondContact CA-OG1 3.48Å; T386-T404 PolarHBondContact N-OG1 2.84Å; T386-T404 PolarHBondContact OG1-OG1 3.48Å; T404-N406 WeakPolarHBondContact OG1-CA 3.47Å; T404-N406 PolarHBondContact OG1-N 2.05Å; T404-N406 VanDerWaalsContact OG1-N 3.11Å; T404-N406 PolarHBondContact OG1-O 2.8Å; T404-N406 VanDerWaalsContact OG1-O 3.11Å; T404-E425 WeakPolarHBondContact CG2-OE2 3.01Å; T404-M458 HydrophobicContact CG2-SD 4.17Å
405	I	97.9	Very high	96.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.			trans	-109.6	35.4	159.2	50.9	172.6	0	0	0	109.7	P83 S85 Q407 G410 I421 N423 N424	P83-I405 WeakPolarHBondContact O-CD1 3.38Å; S85-I405 PolarHBondContact O-N 3.33Å; I405-Q407 PolarHBondContact O-N 3.11Å; I405-G410 WeakPolarHBondContact O-CA 3.42Å; I405-I421 HydrophobicContact CD1-CG2 3.96Å; I405-N423 HydrophobicContact CB-CB 4.06Å; I405-N423 HydrophobicContact CG2-CB 4.38Å; I405-N423 WeakPolarHBondContact O-CA 3.36Å; I405-N424 PolarHBondContact O-N 3.36Å; I405-N424 PolarHBondContact O-OD1 3.09Å
406	N	95.9	Very high	96.8	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.021	5%	0.047	C	C	.	.	S	Bend	trans	52.4	-102.1	-159.9	-166	5.3	0	0	0	115	N383 G385 T404 N424 E425 D428	N383-N406 PolarHBondContact ND2-OD1 3.04Å; G385-N406 WeakPolarHBondContact CA-O 3.4Å; T404-N406 WeakPolarHBondContact OG1-CA 3.47Å; T404-N406 PolarHBondContact OG1-N 2.05Å; T404-N406 VanDerWaalsContact OG1-N 3.11Å; T404-N406 PolarHBondContact OG1-O 2.8Å; T404-N406 VanDerWaalsContact OG1-O 3.11Å; N406-N424 VanDerWaalsContact CB-OD1 3.26Å; N406-N424 WeakPolarHBondContact CB-OD1 3.3Å; N406-N424 PolarHBondContact ND2-O 3.37Å; N406-E425 WeakPolarHBondContact CB-OE1 3.22Å; N406-E425 WeakPolarHBondContact CB-OE2 3.47Å; N406-E425 PolarHBondContact N-OE2 3.39Å; N406-D428 PolarHBondContact ND2-OD1 3.32Å; N406-D428 PolarHBondContact OD1-OD1 3.43Å
407	Q	93.1	Very high	97.1	Very high	12 Å²	12	13 Å²	13	6%	0.056	6%	0.063	C	C	.	.	S	Bend	trans	-82.1	175	-170.7	-58.2	-175.2	-14.8	0	0	112.4	L130 N383 F384 I405 F409 G410 N424	L130-Q407 VanDerWaalsContact CA-OE1 3.26Å; L130-Q407 HydrophobicContact CD2-CB 4.08Å; N383-Q407 HydrophobicContact CB-CG 4.12Å; F384-Q407 CarbonylContact O-C 3.56Å; F384-Q407 WeakPolarHBondContact O-CA 3.43Å; I405-Q407 PolarHBondContact O-N 3.11Å; Q407-F409 PolarHBondContact O-N 2.84Å; Q407-G410 PolarHBondContact O-N 3.2Å; Q407-N424 WeakPolarHBondContact CB-OD1 3.23Å; Q407-N424 VanDerWaalsContact CD-ND2 3.33Å; Q407-N424 PolarHBondContact N-OD1 3.18Å; Q407-N424 VanDerWaalsContact N-OD1 3.08Å; Q407-N424 PolarHBondContact OE1-ND2 2.78Å
408	L	92.8	Very high	97.1	Very high	14 Å²	14	12.3 Å²	12.3	7%	0.073	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	114.8	175.3	-65.5	179.4	0	0	0	111.2	Q84 L130 F182 V188 F384 G410	Q84-L408 HydrophobicContact CB-CD2 4.31Å; Q84-L408 HydrophobicContact CG-CD2 3.89Å; Q84-L408 VanDerWaalsContact O-CA 3.27Å; Q84-L408 WeakPolarHBondContact O-CA 3.25Å; L130-L408 HydrophobicContact CD2-CB 4.12Å; F182-L408 HydrophobicContact CD1-CD1 3.57Å; F182-L408 HydrophobicContact CD1-CD2 4.4Å; F182-L408 HydrophobicContact CE1-CD1 3.81Å; F182-L408 HydrophobicContact CE1-CD2 4.27Å; F182-L408 HydrophobicContact CG-CD1 4.5Å; V188-L408 HydrophobicContact CG2-CD1 4.1Å; F384-L408 PolarHBondContact O-N 3.34Å; L408-G410 PolarHBondContact O-N 3.34Å
409	F	95.6	Very high	97.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	22.6	-173.1	-50.8	-83.1	0	0	0	115.1	Q84 L179 V188 Y191 V192 L197 F201 Q407 G411 A412	Q84-F409 HydrophobicContact CB-CD1 3.8Å; Q84-F409 HydrophobicContact CB-CD2 3.97Å; Q84-F409 HydrophobicContact CB-CE1 3.53Å; Q84-F409 HydrophobicContact CB-CE2 3.7Å; Q84-F409 HydrophobicContact CB-CG 4.02Å; Q84-F409 HydrophobicContact CB-CZ 3.49Å; Q84-F409 VanDerWaalsContact CB-CZ 3.49Å; Q84-F409 PolarHBondContact O-N 3.4Å; L179-F409 HydrophobicContact CD1-CE1 4.17Å; L179-F409 HydrophobicContact CD1-CZ 3.69Å; V188-F409 HydrophobicContact CG1-CD2 4.39Å; V188-F409 HydrophobicContact CG1-CE2 3.72Å; Y191-F409 HydrophobicContact CE1-CB 4.27Å; V192-F409 HydrophobicContact CG2-CD2 4.24Å; V192-F409 HydrophobicContact CG2-CE2 3.88Å; V192-F409 HydrophobicContact CG2-CZ 4.15Å; L197-F409 HydrophobicContact CD1-CB 3.48Å; L197-F409 VanDerWaalsContact CD1-CB 3.48Å; L197-F409 HydrophobicContact CD1-CD1 4.24Å; L197-F409 HydrophobicContact CD1-CD2 4.35Å; L197-F409 HydrophobicContact CD1-CG 3.81Å; L197-F409 HydrophobicContact CD2-CB 4.18Å; L197-F409 HydrophobicContact CD2-CD1 4.4Å; F201-F409 HydrophobicContact CD1-CE1 4.43Å; F201-F409 HydrophobicContact CD2-CE1 4.18Å; F201-F409 HydrophobicContact CE1-CE1 4.01Å; F201-F409 AromaticContact CE2-CD1 3.94Å; F201-F409 HydrophobicContact CE2-CD1 3.94Å; F201-F409 AromaticContact CE2-CE1 3.72Å; F201-F409 HydrophobicContact CE2-CE1 3.72Å; F201-F409 HydrophobicContact CZ-CD1 4.14Å; F201-F409 AromaticContact CZ-CE1 3.63Å; F201-F409 HydrophobicContact CZ-CE1 3.63Å; Q407-F409 PolarHBondContact O-N 2.84Å; F409-G411 PolarHBondContact O-N 3.18Å; F409-A412 PolarHBondContact O-N 2.71Å
410	G	95.7	Very high	97	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-123.4	176.6	0	0	0	0	0	112.9	Y191 I405 Q407 L408 A412 L422 N424	Y191-G410 PolarHBondContact OH-O 2.71Å; I405-G410 WeakPolarHBondContact O-CA 3.42Å; Q407-G410 PolarHBondContact O-N 3.2Å; L408-G410 PolarHBondContact O-N 3.34Å; G410-A412 VanDerWaalsContact C-N 3.29Å; G410-A412 PolarHBondContact O-N 3.08Å; G410-L422 WeakPolarHBondContact CA-O 3.34Å; G410-N424 WeakPolarHBondContact CA-OD1 3.33Å; G410-N424 VanDerWaalsContact O-CG 3.23Å; G410-N424 PolarHBondContact O-ND2 3.21Å; G410-N424 VanDerWaalsContact O-ND2 3.12Å; G410-N424 PolarHBondContact O-OD1 3.43Å
411	G	95	Very high	97	Very high	1 Å²	1	13 Å²	13	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.7	-179.9	0	0	0	0	0	115.1	A132 G133 Y191 F409 V413 L422	A132-G411 WeakPolarHBondContact CA-O 3.32Å; G133-G411 PolarHBondContact N-O 3.24Å; Y191-G411 VanDerWaalsContact OH-C 3.28Å; F409-G411 PolarHBondContact O-N 3.18Å; G411-V413 PolarHBondContact O-N 3.33Å; G411-L422 PolarHBondContact N-O 3.46Å
412	A	94.9	Very high	97	Very high	8 Å²	8	13 Å²	13	7%	0.066	6%	0.063	C	C	.	.	S	Bend	trans	54.2	31.2	-165.7	0	0	0	0	0	114.1	Y191 S196 L197 F409 G410	Y191-A412 HydrophobicContact CD1-CB 4.1Å; Y191-A412 HydrophobicContact CD2-CB 4.46Å; Y191-A412 HydrophobicContact CE1-CB 3.41Å; Y191-A412 VanDerWaalsContact CE1-CB 3.41Å; Y191-A412 HydrophobicContact CE2-CB 3.83Å; Y191-A412 VanDerWaalsContact OH-CB 3.28Å; Y191-A412 WeakPolarHBondContact OH-CB 3.43Å; Y191-A412 PolarHBondContact OH-N 3.38Å; S196-A412 PolarHBondContact OG-O 3.27Å; L197-A412 HydrophobicContact CD1-CB 3.74Å; L197-A412 HydrophobicContact CG-CB 4.16Å; F409-A412 PolarHBondContact O-N 2.71Å; G410-A412 VanDerWaalsContact C-N 3.29Å; G410-A412 PolarHBondContact O-N 3.08Å
413	V	96.8	Very high	97	Very high	14 Å²	14	13 Å²	13	9%	0.085	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.1	173.9	-176.9	0	0	0	0	108.2	I137 A252 G411 L422	I137-V413 HydrophobicContact CD1-CB 4.28Å; I137-V413 HydrophobicContact CD1-CG1 4.28Å; I137-V413 HydrophobicContact CD1-CG2 4.27Å; A252-V413 HydrophobicContact CB-CG1 4.19Å; G411-V413 PolarHBondContact O-N 3.33Å; V413-L422 HydrophobicContact CB-CB 4.36Å; V413-L422 HydrophobicContact CG1-CD1 4.21Å; V413-L422 PolarHBondContact O-N 3Å
414	Y	97.8	Very high	96.9	Very high	21 Å²	21	13 Å²	13	8%	0.082	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.5	174.3	171.9	-106.5	0	0	0	108.8	S196 E199 V200 P416 G419 I420 I421	S196-Y414 PolarHBondContact OG-N 2.97Å; E199-Y414 HydrophobicContact CB-CD1 4.07Å; E199-Y414 HydrophobicContact CB-CE1 4Å; E199-Y414 WeakPolarHBondContact OE2-CE1 3.35Å; V200-Y414 HydrophobicContact CG2-CD1 4.3Å; V200-Y414 HydrophobicContact CG2-CD2 3.99Å; V200-Y414 HydrophobicContact CG2-CE1 3.76Å; V200-Y414 HydrophobicContact CG2-CE2 3.4Å; V200-Y414 HydrophobicContact CG2-CG 4.4Å; V200-Y414 WeakPolarHBondContact CG2-OH 3.27Å; Y414-P416 HydrophobicContact CE1-CB 4.33Å; Y414-P416 WeakPolarHBondContact O-CD 3.22Å; Y414-G419 VanDerWaalsContact CE2-C 3.47Å; Y414-G419 VanDerWaalsContact CE2-CA 3.49Å; Y414-I420 WeakPolarHBondContact CA-O 3.34Å; Y414-I421 HydrophobicContact CD2-CG1 4.12Å
415	S	98.3	Very high	96.8	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.014	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	105.4	175.2	163.5	0	0	0	0	109.7	D248 R417 T418 G419 I420	D248-S415 VanDerWaalsContact OD2-C 3.3Å; D248-S415 WeakPolarHBondContact OD2-CA 3.17Å; D248-S415 WeakPolarHBondContact OD2-CB 3.5Å; D248-S415 PolarHBondContact OD2-OG 2.93Å; S415-R417 PolarHBondContact O-N 3.3Å; S415-T418 WeakPolarHBondContact CB-OG1 3.27Å; S415-T418 PolarHBondContact O-N 3.33Å; S415-T418 PolarHBondContact OG-N 3.26Å; S415-T418 PolarHBondContact OG-OG1 2.93Å; S415-G419 WeakPolarHBondContact O-CA 3.38Å; S415-G419 PolarHBondContact O-N 3.02Å; S415-I420 PolarHBondContact N-O 3.25Å
416	P	97.8	Very high	96.7	Very high	55 Å²	55	13 Å²	13	36%	0.357	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.6	-179.4	24.9	-36	0	0	0	113.7	K219 D248 Y414	K219-P416 WeakPolarHBondContact CG-O 3.24Å; D248-P416 VanDerWaalsContact OD2-CD 3.24Å; D248-P416 WeakPolarHBondContact OD2-CD 3.47Å; Y414-P416 HydrophobicContact CE1-CB 4.33Å; Y414-P416 WeakPolarHBondContact O-CD 3.22Å
417	R	98.4	Very high	96.7	Very high	124 Å²	124	13.1 Å²	13.1	47%	0.468	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-31.6	178.6	-63.6	174.5	-170.2	-87.6	-3.5	112.8	D244 D248 S415	D244-R417 HydrophobicContact CB-CB 3.83Å; D248-R417 WeakPolarHBondContact OD1-CD 3.18Å; D248-R417 VanDerWaalsContact OD1-CG 3.25Å; D248-R417 WeakPolarHBondContact OD1-CG 3.41Å; D248-R417 IonicContact OD1-NE 3.83Å; D248-R417 PolarHBondContact OD1-NE 3.35Å; D248-R417 VanDerWaalsContact OD2-CB 3.26Å; D248-R417 WeakPolarHBondContact OD2-CB 3.45Å; D248-R417 WeakPolarHBondContact OD2-CG 3.32Å; D248-R417 PolarHBondContact OD2-N 3.22Å; S415-R417 PolarHBondContact O-N 3.3Å
418	T	98.6	Very high	96.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-16.7	-172.7	69.5	0	0	0	0	113.9	K219 L220 T223 I241 D244 L245 S415 I420	K219-T418 CarbonylContact C-O 3.59Å; L220-T418 WeakPolarHBondContact CA-O 3.16Å; T223-T418 WeakPolarHBondContact CB-O 3.42Å; T223-T418 WeakPolarHBondContact OG1-CA 3.49Å; T223-T418 PolarHBondContact OG1-O 3.33Å; I241-T418 HydrophobicContact CG2-CG2 3.98Å; D244-T418 HydrophobicContact CB-CG2 3.93Å; L245-T418 HydrophobicContact CB-CG2 4.06Å; S415-T418 WeakPolarHBondContact CB-OG1 3.27Å; S415-T418 PolarHBondContact O-N 3.33Å; S415-T418 PolarHBondContact OG-N 3.26Å; S415-T418 PolarHBondContact OG-OG1 2.93Å; T418-I420 VanDerWaalsContact C-N 3.28Å; T418-I420 WeakPolarHBondContact OG1-CB 3.22Å; T418-I420 VanDerWaalsContact OG1-CG1 3.3Å; T418-I420 WeakPolarHBondContact OG1-CG1 3.46Å; T418-I420 PolarHBondContact OG1-N 3.37Å
419	G	98.2	Very high	96.8	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	14	-174.5	0	0	0	0	0	114.5	Y414 S415	Y414-G419 VanDerWaalsContact CE2-C 3.47Å; Y414-G419 VanDerWaalsContact CE2-CA 3.49Å; S415-G419 WeakPolarHBondContact O-CA 3.38Å; S415-G419 PolarHBondContact O-N 3.02Å
420	I	98.7	Very high	96.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.6	-174.7	-61.8	177	0	0	0	110.7	I88 L220 T223 F236 L245 Y414 S415 T418 L422	I88-I420 HydrophobicContact CD1-CD1 3.65Å; I88-I420 HydrophobicContact CD1-CG1 3.73Å; I88-I420 HydrophobicContact CG1-CD1 3.98Å; I88-I420 HydrophobicContact CG1-CG1 3.87Å; I88-I420 HydrophobicContact CG1-CG2 4.38Å; L220-I420 HydrophobicContact CD1-CG1 4.29Å; T223-I420 HydrophobicContact CG2-CD1 4.34Å; F236-I420 HydrophobicContact CD2-CD1 4.45Å; F236-I420 HydrophobicContact CE2-CD1 3.56Å; F236-I420 HydrophobicContact CZ-CD1 4.38Å; L245-I420 HydrophobicContact CD1-CB 4.33Å; L245-I420 HydrophobicContact CD1-CD1 4.45Å; Y414-I420 WeakPolarHBondContact CA-O 3.34Å; S415-I420 PolarHBondContact N-O 3.25Å; T418-I420 VanDerWaalsContact C-N 3.28Å; T418-I420 WeakPolarHBondContact OG1-CB 3.22Å; T418-I420 VanDerWaalsContact OG1-CG1 3.3Å; T418-I420 WeakPolarHBondContact OG1-CG1 3.46Å; T418-I420 PolarHBondContact OG1-N 3.37Å; I420-L422 HydrophobicContact CG2-CD2 3.69Å; I420-L422 HydrophobicContact CG2-CG 4.45Å
421	I	98.5	Very high	96.4	Very high	13 Å²	13	14.7 Å²	14.7	7%	0.067	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129	166.2	-58.9	168.3	0	0	0	108	P83 L197 F201 F217 I405 Y414	P83-I421 HydrophobicContact CB-CD1 4Å; L197-I421 HydrophobicContact CD2-CD1 4.4Å; L197-I421 HydrophobicContact CD2-CG1 4.24Å; L197-I421 HydrophobicContact CD2-CG2 4.08Å; F201-I421 HydrophobicContact CE2-CD1 3.67Å; F201-I421 HydrophobicContact CZ-CD1 3.81Å; F217-I421 HydrophobicContact CE1-CD1 4.26Å; I405-I421 HydrophobicContact CD1-CG2 3.96Å; Y414-I421 HydrophobicContact CD2-CG1 4.12Å
422	L	98.1	Very high	96.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.3	-174	-65.9	-178.5	0	0	0	113.5	I137 P140 L245 I249 G410 G411 V413 I420	I137-L422 HydrophobicContact CD1-CB 4.06Å; I137-L422 HydrophobicContact CD1-CD1 3.69Å; I137-L422 HydrophobicContact CG1-CB 4.15Å; I137-L422 HydrophobicContact CG2-CB 4.13Å; I137-L422 HydrophobicContact CG2-CD1 4.24Å; P140-L422 HydrophobicContact CG-CD2 4.26Å; L245-L422 HydrophobicContact CD1-CD1 4.14Å; L245-L422 HydrophobicContact CD1-CD2 4.08Å; L245-L422 HydrophobicContact CD1-CG 4.45Å; L245-L422 HydrophobicContact CD2-CD2 4.46Å; I249-L422 HydrophobicContact CD1-CD1 3.51Å; I249-L422 HydrophobicContact CG1-CD1 3.33Å; G410-L422 WeakPolarHBondContact CA-O 3.34Å; G411-L422 PolarHBondContact N-O 3.46Å; V413-L422 HydrophobicContact CB-CB 4.36Å; V413-L422 HydrophobicContact CG1-CD1 4.21Å; V413-L422 PolarHBondContact O-N 3Å; I420-L422 HydrophobicContact CG2-CD2 3.69Å; I420-L422 HydrophobicContact CG2-CG 4.45Å
423	N	98.3	Very high	96	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-62.2	163.4	177.1	72.1	80.6	0	0	0	112.6	G89 E110 I137 G138 I405 E425	G89-N423 PolarHBondContact O-N 2.67Å; G89-N423 PolarHBondContact O-ND2 3.16Å; E110-N423 VanDerWaalsContact OE1-CB 3.25Å; E110-N423 WeakPolarHBondContact OE1-CB 3.37Å; I137-N423 WeakPolarHBondContact CA-O 3.25Å; I137-N423 WeakPolarHBondContact CG1-O 3.31Å; G138-N423 PolarHBondContact N-OD1 2.87Å; G138-N423 PolarHBondContact O-ND2 3.23Å; I405-N423 HydrophobicContact CB-CB 4.06Å; I405-N423 HydrophobicContact CG2-CB 4.38Å; I405-N423 WeakPolarHBondContact O-CA 3.36Å; N423-E425 HydrophobicContact CB-CB 4.34Å; N423-E425 VanDerWaalsContact OD1-CB 3.3Å; N423-E425 WeakPolarHBondContact OD1-CB 3.39Å; N423-E425 PolarHBondContact OD1-N 3.42Å
424	N	96.9	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.			trans	-120.5	44.4	162.3	61.9	-17.3	0	0	0	110.8	S131 W136 I405 N406 Q407 G410 L426 A427	S131-N424 WeakPolarHBondContact CB-ND2 3.44Å; S131-N424 WeakPolarHBondContact O-CB 3.41Å; S131-N424 PolarHBondContact O-ND2 3.22Å; W136-N424 HydrophobicContact CB-CB 3.57Å; W136-N424 HydrophobicContact CG-CB 4.38Å; W136-N424 CarbonylContact O-C 3.51Å; W136-N424 VanDerWaalsContact O-CA 3.3Å; W136-N424 WeakPolarHBondContact O-CA 3.46Å; I405-N424 PolarHBondContact O-N 3.36Å; I405-N424 PolarHBondContact O-OD1 3.09Å; N406-N424 VanDerWaalsContact CB-OD1 3.26Å; N406-N424 WeakPolarHBondContact CB-OD1 3.3Å; N406-N424 PolarHBondContact ND2-O 3.37Å; Q407-N424 WeakPolarHBondContact CB-OD1 3.23Å; Q407-N424 VanDerWaalsContact CD-ND2 3.33Å; Q407-N424 PolarHBondContact N-OD1 3.18Å; Q407-N424 VanDerWaalsContact N-OD1 3.08Å; Q407-N424 PolarHBondContact OE1-ND2 2.78Å; G410-N424 WeakPolarHBondContact CA-OD1 3.33Å; G410-N424 VanDerWaalsContact O-CG 3.23Å; G410-N424 PolarHBondContact O-ND2 3.21Å; G410-N424 VanDerWaalsContact O-ND2 3.12Å; G410-N424 PolarHBondContact O-OD1 3.43Å; N424-L426 VanDerWaalsContact C-N 3.25Å; N424-L426 PolarHBondContact O-N 3.28Å; N424-A427 WeakPolarHBondContact O-CB 3.46Å; N424-A427 PolarHBondContact O-N 3.42Å; N424-A427 VanDerWaalsContact O-N 3.08Å
425	E	96.4	Very high	95.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-66.1	-26.2	-168.9	-153.4	68.8	-119.2	0	0	113.5	R109 E110 W136 T404 N406 N423 A427 D428 P454	R109-E425 IonicContact CZ-OE1 3.39Å; R109-E425 IonicContact CZ-OE2 3.75Å; R109-E425 IonicContact NE-OE1 3.5Å; R109-E425 IonicContact NH1-OE1 3.29Å; R109-E425 PolarHBondContact NH1-OE1 3.03Å; R109-E425 IonicContact NH1-OE2 3.6Å; R109-E425 PolarHBondContact NH1-OE2 2.89Å; R109-E425 VanDerWaalsContact NH1-OE2 3.1Å; R109-E425 IonicContact NH2-OE1 2.71Å; R109-E425 PolarHBondContact NH2-OE1 3.22Å; E110-E425 HydrophobicContact CB-CB 3.96Å; E110-E425 HydrophobicContact CB-CG 4.16Å; E110-E425 HydrophobicContact CG-CB 4.08Å; E110-E425 HydrophobicContact CG-CG 4.35Å; E110-E425 VanDerWaalsContact OE1-OE2 3.09Å; E110-E425 VanDerWaalsContact OE2-CG 3.24Å; E110-E425 WeakPolarHBondContact OE2-CG 3.21Å; W136-E425 PolarHBondContact O-N 3.27Å; T404-E425 WeakPolarHBondContact CG2-OE2 3.01Å; N406-E425 WeakPolarHBondContact CB-OE1 3.22Å; N406-E425 WeakPolarHBondContact CB-OE2 3.47Å; N406-E425 PolarHBondContact N-OE2 3.39Å; N423-E425 HydrophobicContact CB-CB 4.34Å; N423-E425 VanDerWaalsContact OD1-CB 3.3Å; N423-E425 WeakPolarHBondContact OD1-CB 3.39Å; N423-E425 PolarHBondContact OD1-N 3.42Å; E425-A427 PolarHBondContact O-N 3.43Å; E425-A427 VanDerWaalsContact O-N 3.11Å; E425-D428 WeakPolarHBondContact O-CB 3.36Å; E425-D428 PolarHBondContact O-N 2.65Å; E425-P454 HydrophobicContact CG-CB 4.48Å; E425-P454 HydrophobicContact CG-CG 4.12Å; E425-P454 WeakPolarHBondContact O-CG 3.17Å
426	L	95.6	Very high	94.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-65.1	-17	176.6	-53.5	-175.5	0	0	0	112.3	T112 L120 W136 I137 N424 D428 F429 P454	T112-L426 HydrophobicContact CG2-CD2 3.98Å; L120-L426 HydrophobicContact CD2-CB 4.03Å; L120-L426 HydrophobicContact CD2-CD1 4.05Å; W136-L426 HydrophobicContact CE3-CB 4.26Å; W136-L426 WeakPolarHBondContact O-CB 3.46Å; W136-L426 WeakPolarHBondContact O-CG 3.16Å; W136-L426 PolarHBondContact O-N 3.43Å; I137-L426 WeakPolarHBondContact O-CD1 3.38Å; N424-L426 VanDerWaalsContact C-N 3.25Å; N424-L426 PolarHBondContact O-N 3.28Å; L426-D428 PolarHBondContact O-N 3.32Å; L426-F429 HydrophobicContact CB-CD2 4.4Å; L426-F429 HydrophobicContact CD2-CD2 4.49Å; L426-F429 HydrophobicContact CD2-CE2 4.01Å; L426-F429 WeakPolarHBondContact O-CB 3.1Å; L426-F429 WeakPolarHBondContact O-CD2 3.29Å; L426-F429 PolarHBondContact O-N 3.34Å; L426-P454 HydrophobicContact CD2-CG 4.1Å
427	A	94.8	Very high	93.8	Very high	8 Å²	8	25.6 Å²	25.6	7%	0.066	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-63	-20.4	173.4	0	0	0	0	0	112.6	W136 N424 E425 F429 C430	W136-A427 HydrophobicContact CD2-CB 4.18Å; W136-A427 HydrophobicContact CE3-CB 3.87Å; W136-A427 HydrophobicContact CZ3-CB 4.31Å; N424-A427 WeakPolarHBondContact O-CB 3.46Å; N424-A427 PolarHBondContact O-N 3.42Å; N424-A427 VanDerWaalsContact O-N 3.08Å; E425-A427 PolarHBondContact O-N 3.43Å; E425-A427 VanDerWaalsContact O-N 3.11Å; A427-F429 PolarHBondContact O-N 2.87Å; A427-C430 WeakPolarHBondContact O-CB 3.09Å; A427-C430 PolarHBondContact O-N 3.48Å; A427-C430 PolarHBondContact O-SG 2.68Å; A427-C430 VanDerWaalsContact O-SG 3.37Å
428	D	94.7	Very high	92.5	Very high	20 Å²	20	25.7 Å²	25.7	11%	0.107	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-72.4	-9.1	177.8	-79.3	8.3	0	0	0	113.4	R109 N383 N406 E425 L426 C430 R432 P454 P455	R109-D428 IonicContact CZ-OD2 2.74Å; R109-D428 IonicContact NH2-OD2 2.67Å; R109-D428 PolarHBondContact NH2-OD2 2.78Å; N383-D428 PolarHBondContact ND2-OD1 3.38Å; N406-D428 PolarHBondContact ND2-OD1 3.32Å; N406-D428 PolarHBondContact OD1-OD1 3.43Å; E425-D428 WeakPolarHBondContact O-CB 3.36Å; E425-D428 PolarHBondContact O-N 2.65Å; L426-D428 PolarHBondContact O-N 3.32Å; D428-C430 VanDerWaalsContact C-N 3.28Å; D428-R432 WeakPolarHBondContact O-CG 3.2Å; D428-P454 HydrophobicContact CB-CB 3.95Å; D428-P455 WeakPolarHBondContact CB-O 3.27Å
429	F	94.6	Very high	90.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-72	-22.5	166.8	-71.7	-65	0	0	0	112.8	T112 L121 L426 A427 G431 R432 V433 I436 E452 P454	T112-F429 HydrophobicContact CG2-CE2 3.68Å; T112-F429 HydrophobicContact CG2-CZ 3.93Å; L121-F429 HydrophobicContact CD2-CB 3.76Å; L426-F429 HydrophobicContact CB-CD2 4.4Å; L426-F429 HydrophobicContact CD2-CD2 4.49Å; L426-F429 HydrophobicContact CD2-CE2 4.01Å; L426-F429 WeakPolarHBondContact O-CB 3.1Å; L426-F429 WeakPolarHBondContact O-CD2 3.29Å; L426-F429 PolarHBondContact O-N 3.34Å; A427-F429 PolarHBondContact O-N 2.87Å; F429-G431 PolarHBondContact O-N 3.45Å; F429-R432 PolarHBondContact O-N 2.98Å; F429-V433 HydrophobicContact CB-CG2 3.82Å; F429-V433 HydrophobicContact CD1-CB 4.5Å; F429-V433 HydrophobicContact CD1-CG1 3.98Å; F429-V433 HydrophobicContact CD1-CG2 3.67Å; F429-V433 HydrophobicContact CG-CG2 4.15Å; F429-V433 PolarHBondContact O-N 3.22Å; F429-I436 HydrophobicContact CB-CD1 4.05Å; F429-I436 HydrophobicContact CB-CG1 4.08Å; F429-I436 HydrophobicContact CD1-CG1 4.15Å; F429-I436 HydrophobicContact CD2-CD1 3.63Å; F429-I436 HydrophobicContact CD2-CG1 3.91Å; F429-I436 HydrophobicContact CD2-CG2 4.46Å; F429-I436 HydrophobicContact CE2-CD1 4.22Å; F429-I436 HydrophobicContact CE2-CG1 4.34Å; F429-I436 HydrophobicContact CE2-CG2 4.06Å; F429-I436 HydrophobicContact CG-CD1 3.91Å; F429-I436 HydrophobicContact CG-CG1 3.8Å; F429-I436 HydrophobicContact CZ-CG2 4.1Å; F429-E452 HydrophobicContact CE1-CG 4.13Å; F429-E452 HydrophobicContact CZ-CB 4.47Å; F429-E452 HydrophobicContact CZ-CG 4Å; F429-P454 HydrophobicContact CD2-CB 4.27Å; F429-P454 HydrophobicContact CD2-CG 4.25Å; F429-P454 HydrophobicContact CE2-CB 3.98Å; F429-P454 HydrophobicContact CE2-CG 3.66Å; F429-P454 HydrophobicContact CZ-CB 4.11Å; F429-P454 HydrophobicContact CZ-CG 4.01Å
430	C	92.5	Very high	88.7	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.034	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	119.5	-174.5	-70.4	0	0	0	0	113.2	C124 S380 A427 D428 R432	C124-C430 WeakPolarHBondContact CA-SG 3.39Å; C124-C430 HydrophobicContact CB-CB 3.66Å; C124-C430 WeakPolarHBondContact CB-SG 2.96Å; C124-C430 WeakPolarHBondContact SG-CA 3.47Å; C124-C430 WeakPolarHBondContact SG-CB 3.4Å; C124-C430 CovalentContact SG-SG 2.03Å; C124-C430 PolarHBondContact SG-SG 3.36Å; S380-C430 WeakPolarHBondContact CB-O 3.37Å; A427-C430 WeakPolarHBondContact O-CB 3.09Å; A427-C430 PolarHBondContact O-N 3.48Å; A427-C430 PolarHBondContact O-SG 2.68Å; A427-C430 VanDerWaalsContact O-SG 3.37Å; D428-C430 VanDerWaalsContact C-N 3.28Å; C430-R432 PolarHBondContact O-N 3.34Å; C430-R432 VanDerWaalsContact O-N 3.12Å
431	G	89	Confident	86.5	Confident	33 Å²	33	37 Å²	37	34%	0.34	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	2.8	-177	0	0	0	0	0	114.5	F429	F429-G431 PolarHBondContact O-N 3.45Å
432	R	91.3	Very high	84.1	Confident	16 Å²	16	38.4 Å²	38.4	6%	0.06	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-30.4	178.9	-61.7	-63.1	-70.2	-113.7	-9.2	112.5	K333 D428 F429 C430 P455	K333-R432 VanDerWaalsContact CB-NH1 3.32Å; K333-R432 VanDerWaalsContact CG-NH1 3.26Å; K333-R432 PolarHBondContact O-NE 3.38Å; K333-R432 PolarHBondContact O-NH2 3.37Å; D428-R432 WeakPolarHBondContact O-CG 3.2Å; F429-R432 PolarHBondContact O-N 2.98Å; C430-R432 PolarHBondContact O-N 3.34Å; C430-R432 VanDerWaalsContact O-N 3.12Å; R432-P455 HydrophobicContact CB-CB 4.5Å; R432-P455 HydrophobicContact CB-CG 3.99Å; R432-P455 HydrophobicContact CG-CG 4.5Å
433	V	90.5	Very high	81.5	Confident	10 Å²	10	48.9 Å²	48.9	6%	0.061	25%	0.248	C	C	.	.			trans	-131.8	154.3	-179.8	-56.3	0	0	0	0	111.2	L121 F429 S435 I436	L121-V433 HydrophobicContact CD1-CG2 4.07Å; L121-V433 HydrophobicContact CD2-CG2 4.43Å; F429-V433 HydrophobicContact CB-CG2 3.82Å; F429-V433 HydrophobicContact CD1-CB 4.5Å; F429-V433 HydrophobicContact CD1-CG1 3.98Å; F429-V433 HydrophobicContact CD1-CG2 3.67Å; F429-V433 HydrophobicContact CG-CG2 4.15Å; F429-V433 PolarHBondContact O-N 3.22Å; V433-S435 WeakPolarHBondContact CG2-O 3.22Å; V433-I436 HydrophobicContact CG2-CG1 4.29Å
434	D	89.1	Confident	79	Confident	119 Å²	119	56.7 Å²	56.7	64%	0.636	29%	0.289	S	S	*	.	S	Bend	trans	-86.7	-21.3	172	-61.5	-45.8	0	0	0	112.1	R334	R334-D434 IonicContact CZ-OD1 3Å; R334-D434 IonicContact NH2-OD1 3.31Å; R334-D434 PolarHBondContact NH2-OD1 3.38Å; R334-D434 IonicContact NH2-OD2 3.99Å; R334-D434 PolarHBondContact NH2-OD2 3.46Å
435	S	88.1	Confident	76.2	Confident	66 Å²	66	60 Å²	60	46%	0.462	31%	0.309	S	S	.	.			trans	-155.2	147.7	174.3	58.9	0	0	0	0	110.6	V433	V433-S435 WeakPolarHBondContact CG2-O 3.22Å
436	I	87.8	Confident	73.3	Confident	22 Å²	22	66.8 Å²	66.8	11%	0.113	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-89.8	135.5	169.8	-55.8	174.5	0	0	0	107.2	T112 F116 L120 L121 F429 V433	T112-I436 HydrophobicContact CG2-CG2 3.62Å; F116-I436 HydrophobicContact CE1-CG2 4.16Å; F116-I436 HydrophobicContact CE2-CB 3.89Å; F116-I436 HydrophobicContact CE2-CD1 4.32Å; F116-I436 HydrophobicContact CE2-CG2 3.9Å; F116-I436 HydrophobicContact CZ-CB 3.89Å; F116-I436 HydrophobicContact CZ-CG2 3.54Å; L120-I436 HydrophobicContact CD2-CD1 4Å; L121-I436 HydrophobicContact CD1-CG1 4.24Å; L121-I436 HydrophobicContact CD2-CD1 3.89Å; L121-I436 HydrophobicContact CD2-CG1 4.06Å; L121-I436 HydrophobicContact CG-CD1 4.17Å; L121-I436 HydrophobicContact CG-CG1 4.18Å; F429-I436 HydrophobicContact CB-CD1 4.05Å; F429-I436 HydrophobicContact CB-CG1 4.08Å; F429-I436 HydrophobicContact CD1-CG1 4.15Å; F429-I436 HydrophobicContact CD2-CD1 3.63Å; F429-I436 HydrophobicContact CD2-CG1 3.91Å; F429-I436 HydrophobicContact CD2-CG2 4.46Å; F429-I436 HydrophobicContact CE2-CD1 4.22Å; F429-I436 HydrophobicContact CE2-CG1 4.34Å; F429-I436 HydrophobicContact CE2-CG2 4.06Å; F429-I436 HydrophobicContact CG-CD1 3.91Å; F429-I436 HydrophobicContact CG-CG1 3.8Å; F429-I436 HydrophobicContact CZ-CG2 4.1Å; V433-I436 HydrophobicContact CG2-CG1 4.29Å
437	R	80.4	Confident	70.8	Confident	97 Å²	97	75.2 Å²	75.2	37%	0.366	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-96.3	129.8	-178.4	-63.2	-179.1	173	-158.4	-5.6	110	Y341 E452	Y341-R437 HydrophobicContact CD1-CB 3.47Å; Y341-R437 VanDerWaalsContact CD1-CB 3.47Å; Y341-R437 HydrophobicContact CD1-CG 4.21Å; Y341-R437 HydrophobicContact CE1-CB 3.72Å; Y341-R437 WeakPolarHBondContact O-CD 3.24Å; Y341-R437 PolarHBondContact O-NE 3.17Å; Y341-R437 PolarHBondContact O-NH1 3.31Å; R437-E452 WeakPolarHBondContact CB-OE2 3.32Å; R437-E452 PolarHBondContact N-OE2 3.41Å
438	E	69.4	Low	68.7	Low	127 Å²	127	78.6 Å²	78.6	59%	0.593	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-64	159.5	171.8	-65.9	179.5	-175.7	0	0	112	F116 Y341 K440	F116-E438 HydrophobicContact CE1-CG 4.22Å; F116-E438 HydrophobicContact CZ-CG 4.28Å; Y341-E438 WeakPolarHBondContact CE1-O 3.35Å; Y341-E438 PolarHBondContact OH-O 3.3Å; E438-K440 PolarHBondContact O-N 2.88Å; E438-K440 VanDerWaalsContact O-N 3.15Å
439	G	62.6	Low	67	Low	9 Å²	9	82.9 Å²	82.9	9%	0.093	42%	0.421	C	S	.	.			trans	-44.8	116.4	176	0	0	0	0	0	113	Y341 R449	Y341-G439 VanDerWaalsContact OH-CA 3.24Å; Y341-G439 WeakPolarHBondContact OH-CA 3.49Å; G439-R449 PolarHBondContact O-NE 2.89Å; G439-R449 PolarHBondContact O-NH2 3.3Å
440	K	55.3	Low	65.8	Low	88 Å²	88	84.9 Å²	84.9	38%	0.383	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.9	176.6	-76.9	-177.5	-178.8	-179.6	0	110.5	Y341 E438 T442 R449 T450	Y341-K440 HydrophobicContact CD1-CD 4.15Å; Y341-K440 HydrophobicContact CD1-CG 4.36Å; Y341-K440 HydrophobicContact CE1-CB 4.31Å; Y341-K440 HydrophobicContact CE1-CD 4.01Å; Y341-K440 HydrophobicContact CE1-CG 3.75Å; Y341-K440 PolarHBondContact OH-N 3.5Å; E438-K440 PolarHBondContact O-N 2.88Å; E438-K440 VanDerWaalsContact O-N 3.15Å; K440-T442 PolarHBondContact O-N 3.24Å; K440-R449 WeakPolarHBondContact O-CA 3.42Å; K440-T450 PolarHBondContact N-O 3.48Å
441	E	51.4	Low	65.5	Low	142 Å²	142	85.2 Å²	85.2	66%	0.664	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	119.3	158.7	-73.4	-176.4	-179.9	0	0	108.6	R449	E441-R449 HydrophobicContact CG-CG 3.88Å
442	T	49.1	Very low	65.7	Low	44 Å²	44	83.7 Å²	83.7	27%	0.27	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-82.5	126.3	174.8	56.5	0	0	0	0	108.9	K440 L444 T445 L448	K440-T442 PolarHBondContact O-N 3.24Å; T442-L444 PolarHBondContact O-N 3.27Å; T442-T445 PolarHBondContact O-N 3.32Å; T442-L448 PolarHBondContact N-O 2.94Å; T442-L448 WeakPolarHBondContact OG1-CB 3.44Å; T442-L448 PolarHBondContact OG1-O 3.48Å; T442-L448 VanDerWaalsContact OG1-O 3.1Å
443	K	43.7	Very low	65.8	Low	220 Å²	220	83 Å²	83	96%	0.957	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-3.4	-177.1	-85.2	-174.2	175.3	-175.9	0	115.3
444	L	45.1	Very low	66.1	Low	163 Å²	163	82.6 Å²	82.6	85%	0.853	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-19.6	-178.5	-107.1	85.7	0	0	0	114.5	T442	T442-L444 PolarHBondContact O-N 3.27Å
445	T	37.8	Very low	66.4	Low	70 Å²	70	77 Å²	77	43%	0.429	39%	0.386	S	S	.	.			trans	-161.8	136.8	170.7	51.8	0	0	0	0	109.1	T442 E447 L448	T442-T445 PolarHBondContact O-N 3.32Å; T445-E447 PolarHBondContact O-N 3.03Å; T445-L448 PolarHBondContact O-N 3.47Å; T445-L448 WeakPolarHBondContact OG1-CD1 3.49Å; T445-L448 WeakPolarHBondContact OG1-CG 3.47Å
446	T	37.1	Very low	66.7	Low	143 Å²	143	74.1 Å²	74.1	88%	0.877	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	11.3	175.3	28.1	0	0	0	0	115.8
447	E	41.9	Very low	67.1	Low	178 Å²	178	73.8 Å²	73.8	83%	0.832	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-1.6	-175.5	-64.9	-171.2	164.7	0	0	114.7	T445	T445-E447 PolarHBondContact O-N 3.03Å
448	L	51.6	Low	67.9	Low	78 Å²	78	69.3 Å²	69.3	41%	0.408	35%	0.348	S	S	.	.			trans	-115	94	-171.4	-72.2	171.8	0	0	0	112.5	T442 T445	T442-L448 PolarHBondContact N-O 2.94Å; T442-L448 WeakPolarHBondContact OG1-CB 3.44Å; T442-L448 PolarHBondContact OG1-O 3.48Å; T442-L448 VanDerWaalsContact OG1-O 3.1Å; T445-L448 PolarHBondContact O-N 3.47Å; T445-L448 WeakPolarHBondContact OG1-CD1 3.49Å; T445-L448 WeakPolarHBondContact OG1-CG 3.47Å
449	R	58.1	Low	69.2	Low	110 Å²	110	63.2 Å²	63.2	42%	0.415	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	103.7	158.8	-62.5	-177.6	88.2	174.1	5.3	108.6	G439 K440 E441	G439-R449 PolarHBondContact O-NE 2.89Å; G439-R449 PolarHBondContact O-NH2 3.3Å; K440-R449 WeakPolarHBondContact O-CA 3.42Å; E441-R449 HydrophobicContact CG-CG 3.88Å
450	T	69.4	Low	70.9	Confident	42 Å²	42	62.8 Å²	62.8	26%	0.258	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	140.9	164.7	52.6	0	0	0	0	107.8	Y341 K440	Y341-T450 PolarHBondContact OH-O 2.9Å; K440-T450 PolarHBondContact N-O 3.48Å
451	S	87.3	Confident	73	Confident	13 Å²	13	58.6 Å²	58.6	9%	0.091	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-95.3	156.1	173.3	-73.5	0	0	0	0	112	T112 R267 Y341	T112-S451 WeakPolarHBondContact O-CB 3.48Å; T112-S451 PolarHBondContact O-OG 3.29Å; R267-S451 PolarHBondContact NH2-O 3.14Å; Y341-S451 VanDerWaalsContact CE2-C 3.44Å; Y341-S451 WeakPolarHBondContact OH-CA 3.49Å
452	E	92.3	Very high	75.2	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-73.4	134.8	-179.5	-170.8	171.6	-165.5	0	0	110.6	S111 T112 D338 Y341 F429 R437	S111-E452 CarbonylContact C-O 3.59Å; S111-E452 WeakPolarHBondContact CA-O 3.49Å; T112-E452 HydrophobicContact CG2-CB 4.33Å; T112-E452 PolarHBondContact N-O 2.99Å; T112-E452 PolarHBondContact OG1-N 3.14Å; D338-E452 HydrophobicContact CB-CG 3.99Å; Y341-E452 HydrophobicContact CD1-CB 4.2Å; Y341-E452 HydrophobicContact CD1-CG 4.41Å; Y341-E452 HydrophobicContact CD2-CB 3.81Å; Y341-E452 HydrophobicContact CD2-CG 3.98Å; Y341-E452 HydrophobicContact CE1-CB 4.19Å; Y341-E452 VanDerWaalsContact CE2-CA 3.46Å; Y341-E452 HydrophobicContact CE2-CB 3.85Å; Y341-E452 HydrophobicContact CG-CB 3.93Å; Y341-E452 HydrophobicContact CG-CG 3.87Å; Y341-E452 PolarHBondContact OH-N 2.8Å; F429-E452 HydrophobicContact CE1-CG 4.13Å; F429-E452 HydrophobicContact CZ-CB 4.47Å; F429-E452 HydrophobicContact CZ-CG 4Å; R437-E452 WeakPolarHBondContact CB-OE2 3.32Å; R437-E452 PolarHBondContact N-OE2 3.41Å
453	Q	94.8	Very high	77.6	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-93.8	132.7	172.5	-70.9	-179.6	-37.2	0	0	110.7	N107 R109 P287 D338	N107-Q453 PolarHBondContact ND2-OE1 2.87Å; N107-Q453 PolarHBondContact OD1-NE2 2.91Å; R109-Q453 HydrophobicContact CB-CB 4.49Å; R109-Q453 HydrophobicContact CB-CG 4.36Å; R109-Q453 HydrophobicContact CG-CB 4.28Å; R109-Q453 PolarHBondContact O-NE2 3.49Å; P287-Q453 HydrophobicContact CG-CB 4.05Å; D338-Q453 PolarHBondContact OD2-N 3.26Å
454	P	95.4	Very high	80.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-60.6	148.4	177.7	-21.4	31.6	0	0	0	112.5	E110 E425 L426 D428 F429	E110-P454 WeakPolarHBondContact O-CD 3.36Å; E425-P454 HydrophobicContact CG-CB 4.48Å; E425-P454 HydrophobicContact CG-CG 4.12Å; E425-P454 WeakPolarHBondContact O-CG 3.17Å; L426-P454 HydrophobicContact CD2-CG 4.1Å; D428-P454 HydrophobicContact CB-CB 3.95Å; F429-P454 HydrophobicContact CD2-CB 4.27Å; F429-P454 HydrophobicContact CD2-CG 4.25Å; F429-P454 HydrophobicContact CE2-CB 3.98Å; F429-P454 HydrophobicContact CE2-CG 3.66Å; F429-P454 HydrophobicContact CZ-CB 4.11Å; F429-P454 HydrophobicContact CZ-CG 4.01Å
455	P	95.5	Very high	82.5	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.019	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-50.5	155.6	166.7	-25.7	35.8	0	0	0	112	R109 I336 D428 R432	R109-P455 PolarHBondContact NH2-O 3.49Å; R109-P455 VanDerWaalsContact NH2-O 3.07Å; I336-P455 WeakPolarHBondContact O-CB 3.23Å; I336-P455 WeakPolarHBondContact O-CG 3.38Å; D428-P455 WeakPolarHBondContact CB-O 3.27Å; R432-P455 HydrophobicContact CB-CB 4.5Å; R432-P455 HydrophobicContact CB-CG 3.99Å; R432-P455 HydrophobicContact CG-CG 4.5Å
456	S	95.4	Very high	85	Confident	4 Å²	4	37.6 Å²	37.6	3%	0.028	19%	0.189	C	C	.	.			trans	-142.8	154.7	179.6	-168.3	0	0	0	0	112.3	R109 P287 S288 G289 M458	R109-S456 VanDerWaalsContact NH2-CB 3.35Å; R109-S456 PolarHBondContact NH2-OG 3.15Å; P287-S456 PolarHBondContact O-N 2.93Å; S288-S456 CarbonylContact C-O 3.48Å; G289-S456 WeakPolarHBondContact CA-O 3.44Å; G289-S456 PolarHBondContact N-O 3.17Å; G289-S456 VanDerWaalsContact N-O 3.11Å; S456-M458 WeakPolarHBondContact OG-CB 3.3Å; S456-M458 WeakPolarHBondContact OG-CE 3.3Å; S456-M458 VanDerWaalsContact OG-CG 3.3Å; S456-M458 WeakPolarHBondContact OG-CG 3.44Å; S456-M458 PolarHBondContact OG-N 2.9Å; S456-M458 VanDerWaalsContact OG-N 3.13Å
457	S	95.3	Very high	87.5	Confident	16 Å²	16	34.3 Å²	34.3	11%	0.112	17%	0.173	C	C	.	.			trans	-96.1	-1.7	168.6	-57	0	0	0	0	112.5	T459 G478 I481 T482	S457-T459 WeakPolarHBondContact O-CG2 3.45Å; S457-T459 PolarHBondContact O-N 3.46Å; S457-G478 WeakPolarHBondContact CB-O 3.5Å; S457-I481 WeakPolarHBondContact O-CB 3.41Å; S457-I481 VanDerWaalsContact O-CG2 3.29Å; S457-I481 WeakPolarHBondContact O-CG2 3.49Å; S457-T482 PolarHBondContact O-OG1 3.4Å
458	M	97.3	Very high	89.8	Confident	2 Å²	2	29 Å²	29	1%	0.01	17%	0.165	C	C	.	.			trans	-61.9	131.9	179.8	-67.2	-170.6	-71.2	0	0	111.7	I93 G289 T386 T402 T404 S456 I481	I93-M458 HydrophobicContact CB-CE 4.24Å; I93-M458 HydrophobicContact CD1-CE 3.68Å; I93-M458 HydrophobicContact CG1-CE 3.61Å; G289-M458 PolarHBondContact N-O 3.13Å; T386-M458 HydrophobicContact CG2-CG 4.31Å; T386-M458 HydrophobicContact CG2-SD 4.44Å; T402-M458 HydrophobicContact CG2-CB 3.83Å; T402-M458 HydrophobicContact CG2-CG 3.45Å; T402-M458 VanDerWaalsContact CG2-CG 3.45Å; T402-M458 HydrophobicContact CG2-SD 3.6Å; T404-M458 HydrophobicContact CG2-SD 4.17Å; S456-M458 WeakPolarHBondContact OG-CB 3.3Å; S456-M458 WeakPolarHBondContact OG-CE 3.3Å; S456-M458 VanDerWaalsContact OG-CG 3.3Å; S456-M458 WeakPolarHBondContact OG-CG 3.44Å; S456-M458 PolarHBondContact OG-N 2.9Å; S456-M458 VanDerWaalsContact OG-N 3.13Å; M458-I481 HydrophobicContact CG-CD1 4.46Å
459	T	97.1	Very high	91.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.			trans	-131.8	58.4	-179.3	63.1	0	0	0	0	112.9	G289 L293 S457 L461 I481 T482	G289-T459 VanDerWaalsContact C-CG2 3.48Å; L293-T459 HydrophobicContact CB-CG2 4.14Å; L293-T459 HydrophobicContact CD2-CG2 4.44Å; S457-T459 WeakPolarHBondContact O-CG2 3.45Å; S457-T459 PolarHBondContact O-N 3.46Å; T459-L461 PolarHBondContact O-N 2.94Å; T459-I481 HydrophobicContact CG2-CG2 4.3Å; T459-I481 WeakPolarHBondContact OG1-CG2 3.3Å; T459-T482 HydrophobicContact CG2-CG2 4.41Å
460	P	98.6	Very high	93.7	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.133	C	C	.	.			trans	-62.2	135.6	167.4	30.2	-34.7	0	0	0	109.4	I93 V95 S400	I93-P460 HydrophobicContact CB-CG 4.14Å; I93-P460 HydrophobicContact CG2-CG 3.77Å; I93-P460 WeakPolarHBondContact O-CG 3.17Å; V95-P460 HydrophobicContact CG2-CB 4.01Å; V95-P460 HydrophobicContact CG2-CG 4.01Å; V95-P460 WeakPolarHBondContact CG2-O 3.31Å; S400-P460 WeakPolarHBondContact O-CB 3.14Å; S400-P460 VanDerWaalsContact OG-CA 3.26Å; S400-P460 WeakPolarHBondContact OG-CA 3.31Å; S400-P460 VanDerWaalsContact OG-CB 3.29Å; S400-P460 WeakPolarHBondContact OG-CB 3.21Å
461	L	98.8	Very high	95.1	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	156.7	-179	72.7	92.7	0	0	0	112.8	M281 H282 I283 L293 S400 T459 L463 M473 V485 L489	M281-L461 HydrophobicContact CG-CB 4.48Å; M281-L461 HydrophobicContact CG-CD1 4.25Å; M281-L461 HydrophobicContact SD-CD2 4.22Å; H282-L461 VanDerWaalsContact O-CA 3.3Å; H282-L461 WeakPolarHBondContact O-CA 3.47Å; H282-L461 WeakPolarHBondContact O-CB 3.17Å; I283-L461 HydrophobicContact CG2-CB 3.91Å; L293-L461 HydrophobicContact CD2-CD2 3.43Å; L293-L461 VanDerWaalsContact CD2-CD2 3.43Å; S400-L461 WeakPolarHBondContact CB-O 3.37Å; S400-L461 PolarHBondContact OG-N 3.47Å; S400-L461 VanDerWaalsContact OG-N 3.1Å; S400-L461 PolarHBondContact OG-O 2.79Å; T459-L461 PolarHBondContact O-N 2.94Å; L461-L463 HydrophobicContact CD1-CB 4.13Å; L461-M473 HydrophobicContact CD1-CB 4.11Å; L461-M473 HydrophobicContact CG-CB 4.22Å; L461-M473 PolarHBondContact N-O 3.44Å; L461-M473 PolarHBondContact O-N 3.21Å; L461-M473 VanDerWaalsContact O-N 3.09Å; L461-M473 VanDerWaalsContact O-O 3.08Å; L461-V485 HydrophobicContact CD2-CG1 3.71Å; L461-L489 HydrophobicContact CD2-CD1 3.83Å
462	I	98.8	Very high	95.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.5	166.3	-61.5	177.9	0	0	0	107.8	V95 R97 H282 A398 L471 V472	V95-I462 HydrophobicContact CG1-CB 4.49Å; V95-I462 HydrophobicContact CG1-CD1 4.04Å; V95-I462 HydrophobicContact CG1-CG1 4.05Å; R97-I462 HydrophobicContact CB-CD1 3.48Å; R97-I462 VanDerWaalsContact CB-CD1 3.48Å; R97-I462 HydrophobicContact CB-CG2 4.23Å; H282-I462 WeakPolarHBondContact CB-O 3.49Å; H282-I462 PolarHBondContact CD2-O 3.5Å; H282-I462 PolarHBondContact N-O 3.14Å; H282-I462 PolarHBondContact O-N 3.36Å; A398-I462 HydrophobicContact CB-CD1 4.1Å; I462-L471 CarbonylContact C-O 3.59Å; I462-L471 WeakPolarHBondContact CA-O 3.32Å; I462-V472 HydrophobicContact CG1-CG1 4.34Å; I462-V472 HydrophobicContact CG1-CG2 4.45Å
463	L	98.6	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.2	178.6	178.8	150	0	0	0	109.6	H279 K280 M281 L461 K465 I470 L471 L489 L493	H279-L463 HydrophobicContact CB-CD1 4.24Å; H279-L463 HydrophobicContact CB-CD2 4.12Å; H279-L463 HydrophobicContact CB-CG 4.23Å; K280-L463 CarbonylContact O-C 3.5Å; K280-L463 WeakPolarHBondContact O-CA 3.47Å; M281-L463 HydrophobicContact CB-CD1 4.3Å; M281-L463 HydrophobicContact CG-CB 4.49Å; M281-L463 HydrophobicContact CG-CD1 4.48Å; L461-L463 HydrophobicContact CD1-CB 4.13Å; L463-K465 HydrophobicContact CD2-CG 3.83Å; L463-I470 CarbonylContact O-C 3.57Å; L463-I470 WeakPolarHBondContact O-CA 3.36Å; L463-L471 HydrophobicContact CB-CB 4.26Å; L463-L471 HydrophobicContact CD2-CB 4.35Å; L463-L471 PolarHBondContact N-O 3.12Å; L463-L471 PolarHBondContact O-N 3.47Å; L463-L489 HydrophobicContact CD1-CD2 4.46Å; L463-L493 HydrophobicContact CD1-CD1 3.91Å; L463-L493 HydrophobicContact CD1-CD2 4.47Å
464	E	97.6	Very high	96.2	Very high	40 Å²	40	18.2 Å²	18.2	19%	0.187	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.7	170.1	-56.4	-171.7	141.2	0	0	109.1	R97 H279 K280 H282	R97-E464 IonicContact CZ-OE1 2.77Å; R97-E464 IonicContact NE-OE1 2.79Å; R97-E464 PolarHBondContact NE-OE1 3.22Å; R97-E464 IonicContact NH2-OE1 3.49Å; R97-E464 PolarHBondContact NH2-OE1 2.86Å; H279-E464 WeakPolarHBondContact CA-O 3.37Å; K280-E464 HydrophobicContact CB-CB 4.39Å; K280-E464 PolarHBondContact N-O 3.02Å; K280-E464 PolarHBondContact O-N 3.1Å; H282-E464 IonicContact NE2-OE2 3.32Å
465	K	94.6	Very high	96.2	Very high	22 Å²	22	18.2 Å²	18.2	10%	0.096	12%	0.116	C	C	.	.			trans	-90.1	158.9	178.3	-57.6	-175.6	177.8	-170.4	0	112	L463 S467 G468 G469 E551 E553	L463-K465 HydrophobicContact CD2-CG 3.83Å; K465-S467 PolarHBondContact O-N 2.92Å; K465-G468 PolarHBondContact O-N 3.38Å; K465-G469 WeakPolarHBondContact CB-O 3.23Å; K465-G469 PolarHBondContact N-O 3.41Å; K465-E551 WeakPolarHBondContact CE-OE1 3.22Å; K465-E551 IonicContact NZ-OE1 2.78Å; K465-E551 PolarHBondContact NZ-OE1 3.45Å; K465-E551 IonicContact NZ-OE2 2.74Å; K465-E553 IonicContact NZ-OE1 3.21Å; K465-E553 IonicContact NZ-OE2 2.93Å; K465-E553 PolarHBondContact NZ-OE2 2.61Å
466	E	89.3	Confident	96.1	Very high	135 Å²	135	18.1 Å²	18.1	63%	0.631	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-35.7	171.6	-174.8	174	-162.1	0	0	112.3	N278 G468	N278-E466 HydrophobicContact CB-CB 3.81Å; N278-E466 VanDerWaalsContact CB-CD 3.45Å; N278-E466 HydrophobicContact CB-CG 3.95Å; N278-E466 WeakPolarHBondContact CB-OE2 3.43Å; N278-E466 PolarHBondContact ND2-OE1 2.93Å; N278-E466 PolarHBondContact ND2-OE2 2.75Å; E466-G468 PolarHBondContact O-N 3.49Å
467	S	90.4	Very high	95.9	Very high	75 Å²	75	18 Å²	18	52%	0.524	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-8	176.1	58.6	0	0	0	0	114	K465 G469 E553	K465-S467 PolarHBondContact O-N 2.92Å; S467-G469 PolarHBondContact OG-N 2.98Å; S467-E553 WeakPolarHBondContact CB-OE1 3.31Å; S467-E553 PolarHBondContact OG-OE1 3.16Å
468	G	90.5	Very high	95.6	Very high	66 Å²	66	17.4 Å²	17.4	68%	0.68	11%	0.111	S	C	*	.	S	Bend	trans	83.8	-3.9	-169.3	0	0	0	0	0	113.5	K465 E466	K465-G468 PolarHBondContact O-N 3.38Å; E466-G468 PolarHBondContact O-N 3.49Å
469	G	94.8	Very high	95.3	Very high	8 Å²	8	17.8 Å²	17.8	8%	0.082	11%	0.114	C	C	.	.			trans	-67.7	162.7	171.3	0	0	0	0	0	112.9	K465 S467 K552	K465-G469 WeakPolarHBondContact CB-O 3.23Å; K465-G469 PolarHBondContact N-O 3.41Å; S467-G469 PolarHBondContact OG-N 2.98Å; G469-K552 CarbonylContact C-O 3.45Å; G469-K552 WeakPolarHBondContact CA-O 3.27Å
470	I	97.3	Very high	95.2	Very high	12 Å²	12	17.8 Å²	17.8	6%	0.062	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.1	175.7	61.9	169.5	0	0	0	111	I392 A398 L463 V472 E551 K552	I392-I470 HydrophobicContact CD1-CD1 4.11Å; I392-I470 HydrophobicContact CD1-CG1 4.31Å; A398-I470 HydrophobicContact CB-CD1 3.94Å; L463-I470 CarbonylContact O-C 3.57Å; L463-I470 WeakPolarHBondContact O-CA 3.36Å; I470-V472 HydrophobicContact CD1-CG2 4.49Å; I470-E551 CarbonylContact O-C 3.4Å; I470-E551 WeakPolarHBondContact O-CA 3.47Å; I470-K552 HydrophobicContact CG1-CB 3.94Å; I470-K552 PolarHBondContact N-O 3.14Å; I470-K552 PolarHBondContact O-N 3.28Å
471	L	98.5	Very high	95	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.2	171.1	173.4	66	0	0	0	108.8	I462 L463 M473 L489 L499 A549 L550 E551	I462-L471 CarbonylContact C-O 3.59Å; I462-L471 WeakPolarHBondContact CA-O 3.32Å; L463-L471 HydrophobicContact CB-CB 4.26Å; L463-L471 HydrophobicContact CD2-CB 4.35Å; L463-L471 PolarHBondContact N-O 3.12Å; L463-L471 PolarHBondContact O-N 3.47Å; L471-M473 HydrophobicContact CD1-CE 4.2Å; L471-M473 HydrophobicContact CD2-CE 4.13Å; L471-M473 HydrophobicContact CG-CB 4.36Å; L471-L489 HydrophobicContact CD2-CD2 3.72Å; L471-L499 HydrophobicContact CD1-CD1 3.83Å; L471-A549 HydrophobicContact CD1-CB 4.22Å; L471-L550 CarbonylContact C-O 3.56Å; L471-L550 WeakPolarHBondContact CA-O 3.16Å; L471-E551 HydrophobicContact CD1-CB 4Å; L471-E551 HydrophobicContact CD1-CG 4.44Å
472	V	98.8	Very high	94.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.3	174.7	-172.8	0	0	0	0	106.6	I392 A398 V399 I462 I470 A549 L550	I392-V472 HydrophobicContact CD1-CG2 3.85Å; I392-V472 HydrophobicContact CG1-CG2 3.8Å; A398-V472 HydrophobicContact CB-CG2 3.66Å; V399-V472 VanDerWaalsContact O-CG1 3.28Å; V399-V472 WeakPolarHBondContact O-CG1 3.32Å; I462-V472 HydrophobicContact CG1-CG1 4.34Å; I462-V472 HydrophobicContact CG1-CG2 4.45Å; I470-V472 HydrophobicContact CD1-CG2 4.49Å; V472-A549 CarbonylContact O-C 3.58Å; V472-A549 WeakPolarHBondContact O-CA 3.48Å; V472-A549 WeakPolarHBondContact O-CB 3.3Å; V472-L550 HydrophobicContact CB-CB 4.47Å; V472-L550 PolarHBondContact N-O 3.31Å; V472-L550 PolarHBondContact O-N 3.25Å
473	M	98.7	Very high	94.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.5	-172.1	179.6	177.5	-80.4	0	0	111.1	S400 L461 L471 V485 L489 L499 I503 V547 A549	S400-M473 PolarHBondContact OG-O 3.01Å; L461-M473 HydrophobicContact CD1-CB 4.11Å; L461-M473 HydrophobicContact CG-CB 4.22Å; L461-M473 PolarHBondContact N-O 3.44Å; L461-M473 PolarHBondContact O-N 3.21Å; L461-M473 VanDerWaalsContact O-N 3.09Å; L461-M473 VanDerWaalsContact O-O 3.08Å; L471-M473 HydrophobicContact CD1-CE 4.2Å; L471-M473 HydrophobicContact CD2-CE 4.13Å; L471-M473 HydrophobicContact CG-CB 4.36Å; M473-V485 HydrophobicContact CG-CG1 4.43Å; M473-V485 HydrophobicContact SD-CG1 4.21Å; M473-L489 HydrophobicContact SD-CD2 3.86Å; M473-L489 HydrophobicContact SD-CG 3.83Å; M473-L499 HydrophobicContact CE-CD1 3.98Å; M473-I503 HydrophobicContact CE-CD1 4.47Å; M473-V547 HydrophobicContact CE-CG1 4.01Å; M473-V547 HydrophobicContact CG-CG1 3.73Å; M473-V547 HydrophobicContact SD-CG1 3.91Å; M473-A549 HydrophobicContact CB-CB 4.02Å; M473-A549 HydrophobicContact CE-CB 3.65Å; M473-A549 HydrophobicContact CG-CB 4.07Å
474	G	98.3	Very high	94.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	-170.8	163.4	0	0	0	0	0	108.9	H388 V547 N548	H388-G474 PolarHBondContact CD2-N 3.1Å; H388-G474 VanDerWaalsContact CE1-CA 3.43Å; H388-G474 WeakPolarHBondContact CE1-CA 3.25Å; H388-G474 VanDerWaalsContact CG-C 3.48Å; H388-G474 WeakPolarHBondContact NE2-CA 3.37Å; H388-G474 PolarHBondContact NE2-N 3.21Å; H388-G474 VanDerWaalsContact NE2-N 3.13Å; G474-V547 WeakPolarHBondContact O-CA 3.37Å; G474-N548 PolarHBondContact N-O 2.83Å; G474-N548 PolarHBondContact O-N 3.11Å
475	G	95.9	Very high	94.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	171.2	-178.5	0	0	0	0	0	114.8	T402 V546	T402-G475 WeakPolarHBondContact CG2-O 3.28Å; G475-V546 CarbonylContact C-O 3.45Å; G475-V546 WeakPolarHBondContact CA-O 3.26Å
476	S	93.9	Very high	94.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	172.4	174.7	64.9	0	0	0	0	111.4	T386 I481 N545 V546 K565	T386-S476 VanDerWaalsContact C-CB 3.45Å; T386-S476 WeakPolarHBondContact O-CB 3.4Å; S476-I481 VanDerWaalsContact C-CG1 3.42Å; S476-N545 VanDerWaalsContact O-CA 3.25Å; S476-N545 WeakPolarHBondContact O-CA 3.4Å; S476-V546 PolarHBondContact N-O 2.88Å; S476-V546 PolarHBondContact O-N 3.27Å; S476-K565 WeakPolarHBondContact OG-CE 3.44Å; S476-K565 PolarHBondContact OG-NZ 3.37Å
477	G	90.1	Very high	94.9	Very high	2 Å²	2	9.6 Å²	9.6	2%	0.021	8%	0.077	C	C	.	.	S	Bend	trans	113.2	25.6	-176.6	0	0	0	0	0	114.3	G385 S479 L480	G385-G477 VanDerWaalsContact O-CA 3.29Å; G385-G477 WeakPolarHBondContact O-CA 3.46Å; G385-G477 PolarHBondContact O-N 3.01Å; G477-S479 PolarHBondContact O-N 3.22Å; G477-S479 VanDerWaalsContact O-N 3.16Å; G477-L480 WeakPolarHBondContact O-CD1 3.42Å; G477-L480 PolarHBondContact O-N 3.39Å
478	G	90.3	Very high	95.2	Very high	4 Å²	4	6.2 Å²	6.2	4%	0.041	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	55.1	-118.1	177.7	0	0	0	0	0	112.9	N383 G385 S457 L480 I481	N383-G478 WeakPolarHBondContact OD1-CA 3.23Å; G385-G478 PolarHBondContact O-N 2.87Å; S457-G478 WeakPolarHBondContact CB-O 3.5Å; G478-L480 PolarHBondContact O-N 2.65Å; G478-L480 VanDerWaalsContact O-N 3.1Å; G478-I481 WeakPolarHBondContact O-CB 3.29Å; G478-I481 WeakPolarHBondContact O-CD1 3.17Å; G478-I481 VanDerWaalsContact O-CG1 3.22Å; G478-I481 WeakPolarHBondContact O-CG1 3.24Å; G478-I481 PolarHBondContact O-N 3.22Å; G478-I481 VanDerWaalsContact O-N 3.15Å
479	S	91.4	Very high	95.6	Very high	9 Å²	9	3 Å²	3	6%	0.063	2%	0.021	C	C	.	.	G	3₁₀ helix	trans	-56.6	-23.5	176.9	-77.8	0	0	0	0	114.8	D382 N383 G477 I481 F509	D382-S479 VanDerWaalsContact CA-OG 3.32Å; D382-S479 WeakPolarHBondContact CA-OG 3.22Å; D382-S479 WeakPolarHBondContact CB-OG 3.42Å; D382-S479 WeakPolarHBondContact OD1-CB 3Å; D382-S479 PolarHBondContact OD1-OG 3.32Å; N383-S479 PolarHBondContact N-OG 2.9Å; N383-S479 PolarHBondContact O-N 3.39Å; N383-S479 PolarHBondContact OD1-N 3.12Å; N383-S479 VanDerWaalsContact OD1-N 3.08Å; G477-S479 PolarHBondContact O-N 3.22Å; G477-S479 VanDerWaalsContact O-N 3.16Å; S479-I481 VanDerWaalsContact C-N 3.33Å; S479-F509 WeakPolarHBondContact O-CE2 3.26Å
480	L	93.5	Very high	95.8	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.018	C	C	.	.	G	3₁₀ helix	trans	-80.5	-10.4	-178.7	-63.7	94.7	0	0	0	113.8	F384 G477 G478 T483 S484 F509 W540 F543 N545	F384-L480 HydrophobicContact CD1-CD1 3.85Å; F384-L480 HydrophobicContact CE1-CD1 3.79Å; G477-L480 WeakPolarHBondContact O-CD1 3.42Å; G477-L480 PolarHBondContact O-N 3.39Å; G478-L480 PolarHBondContact O-N 2.65Å; G478-L480 VanDerWaalsContact O-N 3.1Å; L480-T483 PolarHBondContact O-OG1 3.11Å; L480-T483 VanDerWaalsContact O-OG1 3.11Å; L480-S484 VanDerWaalsContact O-CB 3.29Å; L480-S484 WeakPolarHBondContact O-CB 3.49Å; L480-S484 PolarHBondContact O-N 3.22Å; L480-S484 PolarHBondContact O-OG 3.5Å; L480-F509 HydrophobicContact CB-CD2 4.33Å; L480-F509 HydrophobicContact CD2-CB 3.98Å; L480-F509 HydrophobicContact CD2-CD1 4.19Å; L480-F509 HydrophobicContact CD2-CD2 4.33Å; L480-F509 HydrophobicContact CD2-CG 3.91Å; L480-F509 HydrophobicContact CG-CB 4.36Å; L480-F509 HydrophobicContact CG-CD1 4.07Å; L480-F509 HydrophobicContact CG-CD2 3.78Å; L480-F509 HydrophobicContact CG-CE1 4.3Å; L480-F509 HydrophobicContact CG-CE2 4.04Å; L480-F509 HydrophobicContact CG-CG 3.8Å; L480-F509 HydrophobicContact CG-CZ 4.28Å; L480-W540 HydrophobicContact CD1-CZ2 3.75Å; L480-F543 HydrophobicContact CD2-CD1 4.31Å; L480-N545 HydrophobicContact CB-CB 3.61Å; L480-N545 HydrophobicContact CD2-CB 4Å; L480-N545 HydrophobicContact CG-CB 4.4Å
481	I	95.8	Very high	95.8	Very high	1 Å²	1	2.2 Å²	2.2	1%	0.005	2%	0.015	C	C	.	.	H	α-helix	trans	-59.3	-56.8	-172.7	-67.1	169	0	0	0	111.2	T386 S457 M458 T459 S476 G478 S479 T483 S484 V485	T386-I481 HydrophobicContact CG2-CD1 3.92Å; S457-I481 WeakPolarHBondContact O-CB 3.41Å; S457-I481 VanDerWaalsContact O-CG2 3.29Å; S457-I481 WeakPolarHBondContact O-CG2 3.49Å; M458-I481 HydrophobicContact CG-CD1 4.46Å; T459-I481 HydrophobicContact CG2-CG2 4.3Å; T459-I481 WeakPolarHBondContact OG1-CG2 3.3Å; S476-I481 VanDerWaalsContact C-CG1 3.42Å; G478-I481 WeakPolarHBondContact O-CB 3.29Å; G478-I481 WeakPolarHBondContact O-CD1 3.17Å; G478-I481 VanDerWaalsContact O-CG1 3.22Å; G478-I481 WeakPolarHBondContact O-CG1 3.24Å; G478-I481 PolarHBondContact O-N 3.22Å; G478-I481 VanDerWaalsContact O-N 3.15Å; S479-I481 VanDerWaalsContact C-N 3.33Å; I481-T483 VanDerWaalsContact C-N 3.32Å; I481-T483 PolarHBondContact O-N 3.21Å; I481-S484 PolarHBondContact O-N 3.33Å; I481-S484 PolarHBondContact O-OG 3.41Å; I481-V485 HydrophobicContact CG2-CG2 4.42Å; I481-V485 WeakPolarHBondContact O-CB 3.46Å; I481-V485 WeakPolarHBondContact O-CG2 3.16Å; I481-V485 PolarHBondContact O-N 2.96Å
482	T	94.2	Very high	95.7	Very high	10 Å²	10	4.7 Å²	4.7	6%	0.061	2%	0.024	C	C	.	.	H	α-helix	trans	-61.3	-40.3	-173.7	-49.1	0	0	0	0	112.3	L292 L293 I296 S457 T459 A486	L292-T482 HydrophobicContact CB-CG2 3.96Å; L293-T482 HydrophobicContact CB-CG2 4.12Å; I296-T482 HydrophobicContact CD1-CG2 4.04Å; S457-T482 PolarHBondContact O-OG1 3.4Å; T459-T482 HydrophobicContact CG2-CG2 4.41Å; T482-A486 WeakPolarHBondContact O-CB 3.36Å; T482-A486 PolarHBondContact O-N 3.23Å
483	T	92.8	Very high	95.5	Very high	11 Å²	11	6.2 Å²	6.2	7%	0.067	3%	0.032	C	C	.	.	H	α-helix	trans	-72.4	-45.5	-179.6	42.9	0	0	0	0	111.8	Y322 A326 L480 I481 A486 L487	Y322-T483 VanDerWaalsContact OH-C 3.32Å; Y322-T483 WeakPolarHBondContact OH-CA 3.41Å; Y322-T483 WeakPolarHBondContact OH-CB 3.47Å; Y322-T483 PolarHBondContact OH-O 3.27Å; A326-T483 HydrophobicContact CB-CG2 4.19Å; L480-T483 PolarHBondContact O-OG1 3.11Å; L480-T483 VanDerWaalsContact O-OG1 3.11Å; I481-T483 VanDerWaalsContact C-N 3.32Å; I481-T483 PolarHBondContact O-N 3.21Å; T483-A486 PolarHBondContact O-N 2.91Å; T483-L487 WeakPolarHBondContact O-CB 3.3Å; T483-L487 PolarHBondContact O-N 3.44Å
484	S	94.8	Very high	95.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-64.2	-42.3	178.2	58.6	0	0	0	0	113.3	L480 I481 L487 S488 N545	L480-S484 VanDerWaalsContact O-CB 3.29Å; L480-S484 WeakPolarHBondContact O-CB 3.49Å; L480-S484 PolarHBondContact O-N 3.22Å; L480-S484 PolarHBondContact O-OG 3.5Å; I481-S484 PolarHBondContact O-N 3.33Å; I481-S484 PolarHBondContact O-OG 3.41Å; S484-L487 PolarHBondContact O-N 3.17Å; S484-S488 WeakPolarHBondContact O-CB 3.48Å; S484-S488 PolarHBondContact O-N 3.46Å; S484-S488 PolarHBondContact O-OG 3.24Å; S484-N545 WeakPolarHBondContact CB-ND2 3.39Å
485	V	97.9	Very high	95.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.4	-41.4	175.4	175.6	0	0	0	0	110.7	L293 L461 M473 I481 S488 L489 V547	L293-V485 HydrophobicContact CD1-CB 4.46Å; L293-V485 HydrophobicContact CD1-CG1 4.12Å; L293-V485 HydrophobicContact CD2-CG1 3.69Å; L461-V485 HydrophobicContact CD2-CG1 3.71Å; M473-V485 HydrophobicContact CG-CG1 4.43Å; M473-V485 HydrophobicContact SD-CG1 4.21Å; I481-V485 HydrophobicContact CG2-CG2 4.42Å; I481-V485 WeakPolarHBondContact O-CB 3.46Å; I481-V485 WeakPolarHBondContact O-CG2 3.16Å; I481-V485 PolarHBondContact O-N 2.96Å; V485-S488 PolarHBondContact O-N 3.02Å; V485-L489 HydrophobicContact CG1-CD1 4.08Å; V485-L489 WeakPolarHBondContact O-CG 3.34Å; V485-L489 PolarHBondContact O-N 3.24Å; V485-V547 HydrophobicContact CG2-CG2 4.1Å
486	A	97.9	Very high	95.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.8	-48.7	175.9	0	0	0	0	0	111.9	L293 I296 L297 Y322 T482 T483 S488 L489 I490	L293-A486 HydrophobicContact CD1-CB 3.62Å; I296-A486 HydrophobicContact CB-CB 4.49Å; I296-A486 HydrophobicContact CG2-CB 3.89Å; L297-A486 HydrophobicContact CD2-CB 4.47Å; Y322-A486 HydrophobicContact CE2-CB 4.25Å; T482-A486 WeakPolarHBondContact O-CB 3.36Å; T482-A486 PolarHBondContact O-N 3.23Å; T483-A486 PolarHBondContact O-N 2.91Å; A486-S488 PolarHBondContact O-N 2.9Å; A486-L489 PolarHBondContact O-N 2.97Å; A486-I490 WeakPolarHBondContact O-CD1 3.44Å; A486-I490 VanDerWaalsContact O-CG1 3.23Å; A486-I490 WeakPolarHBondContact O-CG1 3.33Å; A486-I490 PolarHBondContact O-N 3.01Å
487	L	96.8	Very high	95.5	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-65.5	-39.4	-179.3	-167.6	61.8	0	0	0	111.7	M318 Y319 Y322 T483 S484 L489 I490 N491	M318-L487 HydrophobicContact CE-CD1 4.17Å; Y319-L487 HydrophobicContact CE1-CD1 4.26Å; Y322-L487 HydrophobicContact CD1-CD1 4.32Å; Y322-L487 HydrophobicContact CD2-CD1 4.3Å; Y322-L487 HydrophobicContact CE1-CD1 4.35Å; Y322-L487 HydrophobicContact CE2-CB 4.21Å; Y322-L487 HydrophobicContact CE2-CD1 4.32Å; Y322-L487 HydrophobicContact CG-CD1 4.29Å; T483-L487 WeakPolarHBondContact O-CB 3.3Å; T483-L487 PolarHBondContact O-N 3.44Å; S484-L487 PolarHBondContact O-N 3.17Å; L487-L489 PolarHBondContact O-N 3.5Å; L487-I490 PolarHBondContact O-N 3.14Å; L487-N491 WeakPolarHBondContact O-CB 3.39Å; L487-N491 PolarHBondContact O-N 3.43Å; L487-N491 PolarHBondContact O-ND2 2.98Å; L487-N491 PolarHBondContact O-OD1 3.39Å
488	S	97.9	Very high	95.8	Very high	4 Å²	4	15 Å²	15	3%	0.028	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-42.3	175.1	-57.1	0	0	0	0	111.8	S484 V485 A486 N491 R492	S484-S488 WeakPolarHBondContact O-CB 3.48Å; S484-S488 PolarHBondContact O-N 3.46Å; S484-S488 PolarHBondContact O-OG 3.24Å; V485-S488 PolarHBondContact O-N 3.02Å; A486-S488 PolarHBondContact O-N 2.9Å; S488-N491 PolarHBondContact O-N 3.44Å; S488-R492 WeakPolarHBondContact O-CB 3.43Å; S488-R492 PolarHBondContact O-N 2.87Å
489	L	98.1	Very high	96.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.4	-40.7	175	-75.6	170.8	0	0	0	112.6	M281 L293 L297 L461 L463 L471 M473 V485 A486 L487 N491 R492 L493	M281-L489 HydrophobicContact SD-CD1 4.22Å; L293-L489 HydrophobicContact CD1-CD1 4.36Å; L293-L489 HydrophobicContact CD2-CD1 4.32Å; L297-L489 HydrophobicContact CD1-CB 4.42Å; L297-L489 HydrophobicContact CD1-CD1 3.61Å; L297-L489 HydrophobicContact CD2-CB 4.01Å; L461-L489 HydrophobicContact CD2-CD1 3.83Å; L463-L489 HydrophobicContact CD1-CD2 4.46Å; L471-L489 HydrophobicContact CD2-CD2 3.72Å; M473-L489 HydrophobicContact SD-CD2 3.86Å; M473-L489 HydrophobicContact SD-CG 3.83Å; V485-L489 HydrophobicContact CG1-CD1 4.08Å; V485-L489 WeakPolarHBondContact O-CG 3.34Å; V485-L489 PolarHBondContact O-N 3.24Å; A486-L489 PolarHBondContact O-N 2.97Å; L487-L489 PolarHBondContact O-N 3.5Å; L489-N491 VanDerWaalsContact C-N 3.34Å; L489-R492 PolarHBondContact O-N 3.43Å; L489-L493 HydrophobicContact CB-CD1 4.41Å; L489-L493 HydrophobicContact CD2-CD1 4.25Å; L489-L493 WeakPolarHBondContact O-CB 3.3Å; L489-L493 VanDerWaalsContact O-CG 3.24Å; L489-L493 WeakPolarHBondContact O-CG 3.44Å; L489-L493 PolarHBondContact O-N 3.5Å
490	I	98.1	Very high	96.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-48.7	175	-71.2	160.7	0	0	0	110.2	L297 I300 L305 M318 Y322 A486 L487 R492 W494 L495	L297-I490 HydrophobicContact CD2-CD1 4.43Å; L297-I490 HydrophobicContact CD2-CG1 3.91Å; I300-I490 HydrophobicContact CB-CD1 4.27Å; I300-I490 HydrophobicContact CG1-CD1 4.04Å; I300-I490 HydrophobicContact CG2-CD1 3.97Å; I300-I490 HydrophobicContact CG2-CG1 4.01Å; I300-I490 HydrophobicContact CG2-CG2 4.47Å; L305-I490 HydrophobicContact CD1-CG2 3.8Å; M318-I490 HydrophobicContact CE-CG2 4.31Å; Y322-I490 HydrophobicContact CD2-CD1 3.71Å; Y322-I490 HydrophobicContact CE2-CD1 4.24Å; A486-I490 WeakPolarHBondContact O-CD1 3.44Å; A486-I490 VanDerWaalsContact O-CG1 3.23Å; A486-I490 WeakPolarHBondContact O-CG1 3.33Å; A486-I490 PolarHBondContact O-N 3.01Å; L487-I490 PolarHBondContact O-N 3.14Å; I490-R492 PolarHBondContact O-N 2.89Å; I490-W494 HydrophobicContact CB-CE3 4.25Å; I490-W494 HydrophobicContact CG1-CE3 3.9Å; I490-W494 HydrophobicContact CG1-CZ3 3.71Å; I490-W494 HydrophobicContact CG2-CE3 4.22Å; I490-W494 PolarHBondContact O-N 2.78Å; I490-L495 HydrophobicContact CG2-CD1 3.87Å; I490-L495 HydrophobicContact CG2-CG 4.26Å; I490-L495 PolarHBondContact O-N 3.47Å
491	N	97.9	Very high	96.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-56.7	-49.3	177.2	-73	-14.1	0	0	0	111.4	L487 S488 L489 L495 M497 S502 A505	L487-N491 WeakPolarHBondContact O-CB 3.39Å; L487-N491 PolarHBondContact O-N 3.43Å; L487-N491 PolarHBondContact O-ND2 2.98Å; L487-N491 PolarHBondContact O-OD1 3.39Å; S488-N491 PolarHBondContact O-N 3.44Å; L489-N491 VanDerWaalsContact C-N 3.34Å; N491-L495 PolarHBondContact O-N 3.22Å; N491-M497 HydrophobicContact CB-CB 4.38Å; N491-M497 HydrophobicContact CB-CG 4.32Å; N491-M497 HydrophobicContact CB-SD 3.55Å; N491-M497 VanDerWaalsContact CB-SD 3.55Å; N491-M497 VanDerWaalsContact CG-SD 3.58Å; N491-M497 WeakPolarHBondContact O-CB 3.48Å; N491-M497 PolarHBondContact O-N 2.76Å; N491-S502 PolarHBondContact ND2-O 3.42Å; N491-S502 VanDerWaalsContact ND2-O 3.14Å; N491-A505 WeakPolarHBondContact ND2-CB 2.89Å
492	R	96.3	Very high	96.6	Very high	52 Å²	52	24.9 Å²	24.9	20%	0.196	14%	0.138	C	C	.	.	H	α-helix	trans	-70.5	-45.3	-176.9	179.6	59.8	-171.7	128.9	-3	113.2	S488 L489 I490 M497 E551	S488-R492 WeakPolarHBondContact O-CB 3.43Å; S488-R492 PolarHBondContact O-N 2.87Å; L489-R492 PolarHBondContact O-N 3.43Å; I490-R492 PolarHBondContact O-N 2.89Å; R492-M497 WeakPolarHBondContact CD-O 3.38Å; R492-M497 PolarHBondContact NH1-O 2.81Å; R492-E551 IonicContact CZ-OE1 2.89Å; R492-E551 IonicContact CZ-OE2 3.46Å; R492-E551 IonicContact NE-OE1 3.15Å; R492-E551 PolarHBondContact NE-OE1 2.84Å; R492-E551 IonicContact NE-OE2 3.31Å; R492-E551 PolarHBondContact NE-OE2 2.82Å; R492-E551 VanDerWaalsContact NH2-CD 3.34Å; R492-E551 IonicContact NH2-OE1 2.78Å; R492-E551 PolarHBondContact NH2-OE1 3.25Å; R492-E551 IonicContact NH2-OE2 2.75Å; R492-E551 PolarHBondContact NH2-OE2 3.29Å
493	L	95.9	Very high	96.8	Very high	31 Å²	31	24.6 Å²	24.6	16%	0.162	14%	0.135	C	C	.	.	H	α-helix	trans	-86.2	-32.3	-169.3	-62.3	179	0	0	0	113.4	L463 L489	L463-L493 HydrophobicContact CD1-CD1 3.91Å; L463-L493 HydrophobicContact CD1-CD2 4.47Å; L489-L493 HydrophobicContact CB-CD1 4.41Å; L489-L493 HydrophobicContact CD2-CD1 4.25Å; L489-L493 WeakPolarHBondContact O-CB 3.3Å; L489-L493 VanDerWaalsContact O-CG 3.24Å; L489-L493 WeakPolarHBondContact O-CG 3.44Å; L489-L493 PolarHBondContact O-N 3.5Å
494	W	96.7	Very high	96.9	Very high	39 Å²	39	26.5 Å²	26.5	15%	0.148	15%	0.153	C	C	.	.	H	α-helix	trans	-124	-22.4	-168.8	-57.7	-37.4	0	0	0	114.7	L297 I300 K301 L305 T306 I490	L297-W494 HydrophobicContact CB-CH2 4.23Å; L297-W494 HydrophobicContact CD2-CH2 4.25Å; L297-W494 HydrophobicContact CD2-CZ3 4.28Å; L297-W494 VanDerWaalsContact O-CH2 3.22Å; L297-W494 WeakPolarHBondContact O-CH2 3.43Å; I300-W494 HydrophobicContact CB-CZ3 3.86Å; I300-W494 HydrophobicContact CG2-CE3 3.84Å; I300-W494 HydrophobicContact CG2-CZ3 3.54Å; K301-W494 HydrophobicContact CB-CH2 3.88Å; K301-W494 HydrophobicContact CB-CZ2 3.86Å; K301-W494 HydrophobicContact CG-CZ2 4.14Å; L305-W494 HydrophobicContact CB-CB 4Å; L305-W494 HydrophobicContact CD1-CE3 4.49Å; T306-W494 CarbonylContact C-O 3.57Å; T306-W494 VanDerWaalsContact CA-O 3.3Å; T306-W494 WeakPolarHBondContact CA-O 3.4Å; I490-W494 HydrophobicContact CB-CE3 4.25Å; I490-W494 HydrophobicContact CG1-CE3 3.9Å; I490-W494 HydrophobicContact CG1-CZ3 3.71Å; I490-W494 HydrophobicContact CG2-CE3 4.22Å; I490-W494 PolarHBondContact O-N 2.78Å
495	L	97.1	Very high	96.9	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-102.3	5.5	-176.5	-56.4	177.9	0	0	0	113.8	L305 T306 L310 M318 I490 N491 M497	L305-L495 HydrophobicContact CB-CD2 3.98Å; L305-L495 HydrophobicContact CD1-CD2 4.41Å; T306-L495 VanDerWaalsContact O-CD2 3.24Å; T306-L495 WeakPolarHBondContact O-CD2 3.43Å; L310-L495 HydrophobicContact CD1-CB 3.98Å; L310-L495 HydrophobicContact CD1-CD1 4.3Å; L310-L495 HydrophobicContact CD2-CD1 3.98Å; L310-L495 HydrophobicContact CG-CB 4.42Å; L310-L495 HydrophobicContact CG-CD1 4.17Å; L310-L495 HydrophobicContact CG-CD2 4.37Å; M318-L495 HydrophobicContact CE-CD1 3.24Å; I490-L495 HydrophobicContact CG2-CD1 3.87Å; I490-L495 HydrophobicContact CG2-CG 4.26Å; I490-L495 PolarHBondContact O-N 3.47Å; N491-L495 PolarHBondContact O-N 3.22Å; L495-M497 VanDerWaalsContact C-N 3.28Å; L495-M497 HydrophobicContact CB-CG 4.47Å; L495-M497 PolarHBondContact O-N 3.14Å
496	G	94.8	Very high	96.7	Very high	60 Å²	60	29.7 Å²	29.7	62%	0.619	17%	0.174	S	C	*	.			trans	73.3	16.2	174	0	0	0	0	0	114.6
497	M	97.3	Very high	96.3	Very high	42 Å²	42	29.9 Å²	29.9	21%	0.207	18%	0.175	C	C	.	.			trans	-77.5	148.4	179.4	-58.1	-176.3	71	0	0	111.1	L310 N491 R492 L495 D501 A505	L310-M497 HydrophobicContact CD1-SD 4.43Å; N491-M497 HydrophobicContact CB-CB 4.38Å; N491-M497 HydrophobicContact CB-CG 4.32Å; N491-M497 HydrophobicContact CB-SD 3.55Å; N491-M497 VanDerWaalsContact CB-SD 3.55Å; N491-M497 VanDerWaalsContact CG-SD 3.58Å; N491-M497 WeakPolarHBondContact O-CB 3.48Å; N491-M497 PolarHBondContact O-N 2.76Å; R492-M497 WeakPolarHBondContact CD-O 3.38Å; R492-M497 PolarHBondContact NH1-O 2.81Å; L495-M497 VanDerWaalsContact C-N 3.28Å; L495-M497 HydrophobicContact CB-CG 4.47Å; L495-M497 PolarHBondContact O-N 3.14Å; M497-D501 HydrophobicContact CB-CB 4.36Å; M497-D501 HydrophobicContact CE-CB 3.74Å; M497-D501 VanDerWaalsContact CE-O 3.29Å; M497-D501 WeakPolarHBondContact CE-O 3.5Å; M497-A505 HydrophobicContact CE-CB 4.06Å
498	S	96.5	Very high	96.2	Very high	42 Å²	42	29.7 Å²	29.7	29%	0.294	17%	0.174	S	C	.	.			trans	-63.6	163.1	167.1	73.8	0	0	0	0	110.5	K500 D501 S502	S498-K500 VanDerWaalsContact C-N 3.3Å; S498-K500 PolarHBondContact O-N 3.48Å; S498-D501 PolarHBondContact O-N 3.32Å; S498-D501 WeakPolarHBondContact OG-CB 3.44Å; S498-D501 PolarHBondContact OG-N 2.91Å; S498-D501 PolarHBondContact OG-OD2 3.21Å; S498-S502 VanDerWaalsContact O-CB 3.23Å; S498-S502 WeakPolarHBondContact O-CB 2.9Å; S498-S502 PolarHBondContact O-N 3.12Å; S498-S502 PolarHBondContact O-OG 2.92Å
499	L	97	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-46.6	176.6	-178.5	67	0	0	0	110.5	L471 M473 D501 S502 I503 A549 E551 E558 V560	L471-L499 HydrophobicContact CD1-CD1 3.83Å; M473-L499 HydrophobicContact CE-CD1 3.98Å; L499-D501 PolarHBondContact O-N 2.94Å; L499-S502 PolarHBondContact O-N 3.33Å; L499-S502 PolarHBondContact O-OG 3.21Å; L499-I503 HydrophobicContact CD1-CD1 4.09Å; L499-I503 HydrophobicContact CG-CD1 4.21Å; L499-I503 PolarHBondContact O-N 3.13Å; L499-A549 HydrophobicContact CD1-CB 4.04Å; L499-A549 HydrophobicContact CD2-CB 4.35Å; L499-E551 HydrophobicContact CD2-CB 3.77Å; L499-E558 HydrophobicContact CB-CG 4.5Å; L499-E558 HydrophobicContact CD2-CB 4.42Å; L499-E558 HydrophobicContact CD2-CG 4.22Å; L499-V560 HydrophobicContact CB-CG2 4.41Å; L499-V560 HydrophobicContact CD2-CB 4.37Å; L499-V560 HydrophobicContact CD2-CG2 3.86Å; L499-V560 HydrophobicContact CG-CB 4.41Å; L499-V560 HydrophobicContact CG-CG2 3.9Å
500	K	96.6	Very high	96	Very high	135 Å²	135	29.7 Å²	29.7	59%	0.587	17%	0.174	S	C	*	.	H	α-helix	trans	-56.5	-50.8	176.5	-172.5	-179.6	179.3	-178.6	0	112.7	S498 S502 I503 A504 V560	S498-K500 VanDerWaalsContact C-N 3.3Å; S498-K500 PolarHBondContact O-N 3.48Å; K500-S502 VanDerWaalsContact C-N 3.32Å; K500-S502 PolarHBondContact O-N 3.39Å; K500-I503 PolarHBondContact O-N 2.84Å; K500-A504 WeakPolarHBondContact O-CB 3.41Å; K500-A504 PolarHBondContact O-N 2.75Å; K500-V560 HydrophobicContact CB-CG2 4.15Å
501	D	97.3	Very high	95.8	Very high	86 Å²	86	30.3 Å²	30.3	46%	0.46	18%	0.177	S	C	.	.	H	α-helix	trans	-68.5	-34.8	-177.8	-59.5	-38.1	0	0	0	111.4	M497 S498 L499 I503 A504 A505	M497-D501 HydrophobicContact CB-CB 4.36Å; M497-D501 HydrophobicContact CE-CB 3.74Å; M497-D501 VanDerWaalsContact CE-O 3.29Å; M497-D501 WeakPolarHBondContact CE-O 3.5Å; S498-D501 PolarHBondContact O-N 3.32Å; S498-D501 WeakPolarHBondContact OG-CB 3.44Å; S498-D501 PolarHBondContact OG-N 2.91Å; S498-D501 PolarHBondContact OG-OD2 3.21Å; L499-D501 PolarHBondContact O-N 2.94Å; D501-I503 VanDerWaalsContact C-N 3.27Å; D501-I503 PolarHBondContact O-N 2.98Å; D501-A504 PolarHBondContact O-N 3.31Å; D501-A505 WeakPolarHBondContact O-CB 3.06Å; D501-A505 PolarHBondContact O-N 3.46Å
502	S	97.6	Very high	95.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-35.5	-179.9	73.6	0	0	0	0	113.1	N491 S498 L499 K500	N491-S502 PolarHBondContact ND2-O 3.42Å; N491-S502 VanDerWaalsContact ND2-O 3.14Å; S498-S502 VanDerWaalsContact O-CB 3.23Å; S498-S502 WeakPolarHBondContact O-CB 2.9Å; S498-S502 PolarHBondContact O-N 3.12Å; S498-S502 PolarHBondContact O-OG 2.92Å; L499-S502 PolarHBondContact O-N 3.33Å; L499-S502 PolarHBondContact O-OG 3.21Å; K500-S502 VanDerWaalsContact C-N 3.32Å; K500-S502 PolarHBondContact O-N 3.39Å
503	I	97	Very high	95.4	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-83.3	-39.5	177.6	-69.4	167.4	0	0	0	110.8	M473 L499 K500 D501 A505 V547 A549 V560 D562 R564	M473-I503 HydrophobicContact CE-CD1 4.47Å; L499-I503 HydrophobicContact CD1-CD1 4.09Å; L499-I503 HydrophobicContact CG-CD1 4.21Å; L499-I503 PolarHBondContact O-N 3.13Å; K500-I503 PolarHBondContact O-N 2.84Å; D501-I503 VanDerWaalsContact C-N 3.27Å; D501-I503 PolarHBondContact O-N 2.98Å; I503-A505 VanDerWaalsContact C-N 3.27Å; I503-A505 PolarHBondContact O-N 3.24Å; I503-V547 HydrophobicContact CD1-CG1 4.18Å; I503-V547 HydrophobicContact CG1-CB 4.19Å; I503-V547 HydrophobicContact CG1-CG1 3.94Å; I503-V547 HydrophobicContact CG2-CB 4.24Å; I503-V547 WeakPolarHBondContact CG2-O 3.41Å; I503-A549 HydrophobicContact CD1-CB 3.84Å; I503-V560 HydrophobicContact CB-CG1 4.21Å; I503-V560 HydrophobicContact CD1-CB 3.8Å; I503-V560 HydrophobicContact CD1-CG1 3.63Å; I503-V560 HydrophobicContact CG2-CG1 4.18Å; I503-D562 HydrophobicContact CG2-CB 3.94Å; I503-R564 PolarHBondContact O-NH1 3.24Å
504	A	95.7	Very high	95.4	Very high	52 Å²	52	33.4 Å²	33.4	43%	0.43	19%	0.192	S	C	.	.	H	α-helix	trans	-70.3	-23.2	179.7	0	0	0	0	0	113.2	K500 D501 R564	K500-A504 WeakPolarHBondContact O-CB 3.41Å; K500-A504 PolarHBondContact O-N 2.75Å; D501-A504 PolarHBondContact O-N 3.31Å; A504-R564 PolarHBondContact O-NH2 2.74Å
505	A	95.2	Very high	95.3	Very high	14 Å²	14	33.6 Å²	33.6	12%	0.116	20%	0.196	C	C	.	.	S	Bend	trans	-50.6	139.9	179	0	0	0	0	0	112.2	N491 M497 D501 I503 R564	N491-A505 WeakPolarHBondContact ND2-CB 2.89Å; M497-A505 HydrophobicContact CE-CB 4.06Å; D501-A505 WeakPolarHBondContact O-CB 3.06Å; D501-A505 PolarHBondContact O-N 3.46Å; I503-A505 VanDerWaalsContact C-N 3.27Å; I503-A505 PolarHBondContact O-N 3.24Å; A505-R564 PolarHBondContact O-NH2 2.92Å
506	P	92.6	Very high	95.4	Very high	52 Å²	52	33.4 Å²	33.4	34%	0.338	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-57.8	137.2	176.5	-28.1	36.7	0	0	0	113	E519 F522	P506-E519 WeakPolarHBondContact CA-OE2 3.45Å; P506-E519 HydrophobicContact CB-CB 4.48Å; P506-F522 HydrophobicContact CB-CD2 3.42Å; P506-F522 VanDerWaalsContact CB-CD2 3.42Å; P506-F522 HydrophobicContact CB-CE2 3.84Å; P506-F522 HydrophobicContact CB-CG 4.37Å; P506-F522 WeakPolarHBondContact O-CE2 3.28Å
507	I	90	Very high	95.4	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-90.4	143.2	-178.1	-69	95	0	0	0	112.3	E519 N545	I507-E519 WeakPolarHBondContact CD1-OE2 3.29Å; I507-E519 PolarHBondContact N-OE2 2.75Å; I507-E519 PolarHBondContact O-N 2.72Å; I507-E519 VanDerWaalsContact O-N 3.11Å; I507-N545 WeakPolarHBondContact CD1-ND2 3.26Å; I507-N545 VanDerWaalsContact CG1-ND2 3.26Å; I507-N545 WeakPolarHBondContact CG1-ND2 3.47Å
508	I	94.8	Very high	95.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.7	158.9	-60.5	-174.3	0	0	0	109.1	Y319 Y322 I323 V516 N517 F518 F522 L530	Y319-I508 HydrophobicContact CD1-CD1 3.34Å; Y319-I508 HydrophobicContact CD1-CG1 4.21Å; Y319-I508 HydrophobicContact CE1-CD1 3.95Å; Y319-I508 HydrophobicContact CE1-CG1 4.4Å; Y319-I508 HydrophobicContact CG-CD1 3.76Å; Y322-I508 HydrophobicContact CE1-CB 4.07Å; Y322-I508 HydrophobicContact CE1-CG2 4.36Å; Y322-I508 PolarHBondContact OH-O 2.98Å; I323-I508 HydrophobicContact CD1-CD1 4.17Å; I323-I508 HydrophobicContact CD1-CG2 4.16Å; I323-I508 HydrophobicContact CG1-CG2 3.9Å; I508-V516 HydrophobicContact CG2-CG1 3.41Å; I508-V516 VanDerWaalsContact CG2-CG1 3.41Å; I508-N517 WeakPolarHBondContact CA-O 3.47Å; I508-F518 HydrophobicContact CD1-CD1 4.07Å; I508-F518 HydrophobicContact CD1-CE1 3.79Å; I508-F518 HydrophobicContact CG1-CD1 3.9Å; I508-F518 HydrophobicContact CG1-CE1 4.1Å; I508-F522 HydrophobicContact CD1-CE1 4.05Å; I508-F522 HydrophobicContact CD1-CE2 4.13Å; I508-F522 HydrophobicContact CD1-CZ 3.53Å; I508-F522 HydrophobicContact CG1-CD2 4.31Å; I508-F522 HydrophobicContact CG1-CE1 4.24Å; I508-F522 HydrophobicContact CG1-CE2 3.51Å; I508-F522 HydrophobicContact CG1-CZ 3.47Å; I508-F522 VanDerWaalsContact CG1-CZ 3.47Å; I508-L530 HydrophobicContact CD1-CD1 4.21Å
509	F	95.1	Very high	95.2	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.5	174.8	171.9	-125.5	0	0	0	111.1	S479 L480 N511 N517 W540 F543	S479-F509 WeakPolarHBondContact O-CE2 3.26Å; L480-F509 HydrophobicContact CB-CD2 4.33Å; L480-F509 HydrophobicContact CD2-CB 3.98Å; L480-F509 HydrophobicContact CD2-CD1 4.19Å; L480-F509 HydrophobicContact CD2-CD2 4.33Å; L480-F509 HydrophobicContact CD2-CG 3.91Å; L480-F509 HydrophobicContact CG-CB 4.36Å; L480-F509 HydrophobicContact CG-CD1 4.07Å; L480-F509 HydrophobicContact CG-CD2 3.78Å; L480-F509 HydrophobicContact CG-CE1 4.3Å; L480-F509 HydrophobicContact CG-CE2 4.04Å; L480-F509 HydrophobicContact CG-CG 3.8Å; L480-F509 HydrophobicContact CG-CZ 4.28Å; F509-N511 HydrophobicContact CD1-CB 4.35Å; F509-N511 HydrophobicContact CE1-CB 3.71Å; F509-N511 HydrophobicContact CZ-CB 4.04Å; F509-N511 PolarHBondContact O-N 2.93Å; F509-N517 HydrophobicContact CB-CB 4.32Å; F509-N517 HydrophobicContact CD1-CB 4.29Å; F509-N517 PolarHBondContact N-O 3.32Å; F509-N517 WeakPolarHBondContact O-CB 3.35Å; F509-N517 PolarHBondContact O-N 3.22Å; F509-N517 PolarHBondContact O-ND2 3.42Å; F509-W540 AromaticContact CD1-CD2 3.96Å; F509-W540 HydrophobicContact CD1-CD2 3.96Å; F509-W540 AromaticContact CD1-CE2 3.9Å; F509-W540 HydrophobicContact CD1-CE3 4.4Å; F509-W540 HydrophobicContact CD1-CG 4.21Å; F509-W540 HydrophobicContact CD1-CZ2 4.32Å; F509-W540 AromaticContact CE1-CD2 3.82Å; F509-W540 HydrophobicContact CE1-CD2 3.82Å; F509-W540 AromaticContact CE1-CE2 3.67Å; F509-W540 AromaticContact CE1-CE3 3.9Å; F509-W540 HydrophobicContact CE1-CE3 3.9Å; F509-W540 AromaticContact CE1-CH2 3.83Å; F509-W540 HydrophobicContact CE1-CH2 3.83Å; F509-W540 AromaticContact CE1-CZ2 3.65Å; F509-W540 HydrophobicContact CE1-CZ2 3.65Å; F509-W540 AromaticContact CE1-CZ3 3.92Å; F509-W540 HydrophobicContact CE1-CZ3 3.92Å; F509-W540 HydrophobicContact CZ-CH2 4.41Å; F509-W540 HydrophobicContact CZ-CZ2 4.35Å; F509-F543 HydrophobicContact CB-CE1 4.03Å
510	V	96.1	Very high	94.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	106.8	170.4	-176	0	0	0	0	108.2	I323 A326 K327 N514	I323-V510 HydrophobicContact CB-CG2 4.24Å; I323-V510 HydrophobicContact CG1-CG2 4.16Å; I323-V510 HydrophobicContact CG2-CG2 3.85Å; A326-V510 HydrophobicContact CB-CB 4.03Å; A326-V510 HydrophobicContact CB-CG2 3.79Å; K327-V510 HydrophobicContact CG-CG1 3.72Å; V510-N514 HydrophobicContact CG1-CB 4.45Å
511	N	94.2	Very high	94.5	Very high	15 Å²	15	31.9 Å²	31.9	8%	0.08	20%	0.199	C	C	.	.			trans	-69.7	173.8	-177.6	76.5	11.4	0	0	0	111.4	N330 D382 F509 K513 N514 D515	N330-N511 PolarHBondContact ND2-O 3.11Å; D382-N511 WeakPolarHBondContact OD2-CB 3.24Å; F509-N511 HydrophobicContact CD1-CB 4.35Å; F509-N511 HydrophobicContact CE1-CB 3.71Å; F509-N511 HydrophobicContact CZ-CB 4.04Å; F509-N511 PolarHBondContact O-N 2.93Å; N511-K513 PolarHBondContact O-N 3.11Å; N511-K513 VanDerWaalsContact O-N 3.14Å; N511-K513 WeakPolarHBondContact OD1-CA 3.24Å; N511-K513 WeakPolarHBondContact OD1-CB 3.4Å; N511-K513 PolarHBondContact OD1-N 3.17Å; N511-N514 WeakPolarHBondContact O-CA 3.09Å; N511-N514 PolarHBondContact O-N 2.79Å; N511-N514 PolarHBondContact OD1-N 3.38Å; N511-N514 VanDerWaalsContact OD1-N 3.1Å; N511-D515 PolarHBondContact N-O 3.01Å; N511-D515 WeakPolarHBondContact ND2-CB 3.48Å; N511-D515 PolarHBondContact ND2-OD2 3.46Å; N511-D515 PolarHBondContact OD1-N 2.8Å; N511-D515 PolarHBondContact OD1-O 3.44Å
512	S	92.1	Very high	94.4	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.063	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.1	-177.5	71.9	0	0	0	0	113.8	N376 P379 S380 D382 N514	N376-S512 PolarHBondContact ND2-O 3.03Å; P379-S512 WeakPolarHBondContact CB-O 3.37Å; S380-S512 WeakPolarHBondContact O-CB 3.35Å; S380-S512 PolarHBondContact O-OG 3.01Å; D382-S512 PolarHBondContact OD1-N 2.96Å; D382-S512 WeakPolarHBondContact OD2-CB 3.5Å; D382-S512 PolarHBondContact OD2-N 3.33Å; D382-S512 PolarHBondContact OD2-OG 2.86Å; S512-N514 VanDerWaalsContact C-N 3.26Å; S512-N514 PolarHBondContact O-N 3.46Å
513	K	93.1	Very high	94.4	Very high	131 Å²	131	30.8 Å²	30.8	57%	0.57	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	1.5	174.9	-63	-177.6	-179.1	178.8	0	113.6	N371 P379 N511 D515	N371-K513 PolarHBondContact ND2-O 2.96Å; N371-K513 PolarHBondContact OD1-O 3.36Å; P379-K513 HydrophobicContact CG-CG 4.42Å; N511-K513 PolarHBondContact O-N 3.11Å; N511-K513 VanDerWaalsContact O-N 3.14Å; N511-K513 WeakPolarHBondContact OD1-CA 3.24Å; N511-K513 WeakPolarHBondContact OD1-CB 3.4Å; N511-K513 PolarHBondContact OD1-N 3.17Å; K513-D515 VanDerWaalsContact C-N 3.25Å; K513-D515 PolarHBondContact O-N 3.36Å
514	N	96	Very high	94.3	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	22%	0.217	C	C	.	.			trans	66.5	18.2	-173.3	-64.9	-32.3	0	0	0	115	K327 N330 N371 N376 V510 N511 S512	K327-N514 WeakPolarHBondContact CA-OD1 3.46Å; K327-N514 HydrophobicContact CD-CB 3.94Å; K327-N514 WeakPolarHBondContact CE-O 3.12Å; K327-N514 HydrophobicContact CG-CB 3.77Å; N330-N514 PolarHBondContact ND2-OD1 3.1Å; N371-N514 WeakPolarHBondContact OD1-CB 3.2Å; N371-N514 PolarHBondContact OD1-ND2 2.85Å; N376-N514 PolarHBondContact ND2-ND2 2.91Å; V510-N514 HydrophobicContact CG1-CB 4.45Å; N511-N514 WeakPolarHBondContact O-CA 3.09Å; N511-N514 PolarHBondContact O-N 2.79Å; N511-N514 PolarHBondContact OD1-N 3.38Å; N511-N514 VanDerWaalsContact OD1-N 3.1Å; S512-N514 VanDerWaalsContact C-N 3.26Å; S512-N514 PolarHBondContact O-N 3.46Å
515	D	96.1	Very high	94.4	Very high	43 Å²	43	37 Å²	37	23%	0.23	22%	0.22	C	C	.	.			trans	-75	146.1	165.5	-44.7	-48.7	0	0	0	109.5	N511 K513 N517	N511-D515 PolarHBondContact N-O 3.01Å; N511-D515 WeakPolarHBondContact ND2-CB 3.48Å; N511-D515 PolarHBondContact ND2-OD2 3.46Å; N511-D515 PolarHBondContact OD1-N 2.8Å; N511-D515 PolarHBondContact OD1-O 3.44Å; K513-D515 VanDerWaalsContact C-N 3.25Å; K513-D515 PolarHBondContact O-N 3.36Å; D515-N517 PolarHBondContact O-ND2 3.17Å
516	V	97.4	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.1	-173.1	-172.4	0	0	0	0	109.6	I323 I508 F518 H535 K536 P537 G538	I323-V516 HydrophobicContact CD1-CG1 3.69Å; I323-V516 HydrophobicContact CD1-CG2 4.23Å; I323-V516 HydrophobicContact CG1-CG1 4.13Å; I323-V516 HydrophobicContact CG1-CG2 4.47Å; I323-V516 HydrophobicContact CG2-CG2 3.68Å; I508-V516 HydrophobicContact CG2-CG1 3.41Å; I508-V516 VanDerWaalsContact CG2-CG1 3.41Å; V516-F518 HydrophobicContact CB-CE2 4.18Å; V516-F518 HydrophobicContact CB-CZ 4.09Å; V516-F518 HydrophobicContact CG1-CE1 3.78Å; V516-F518 HydrophobicContact CG1-CE2 3.83Å; V516-F518 HydrophobicContact CG1-CZ 3.38Å; V516-F518 WeakPolarHBondContact O-CE2 3.43Å; V516-H535 HydrophobicContact CG2-CB 3.9Å; V516-K536 PolarHBondContact N-O 3.1Å; V516-P537 CarbonylContact O-C 3.53Å; V516-P537 VanDerWaalsContact O-CA 3.3Å; V516-P537 WeakPolarHBondContact O-CA 3.43Å; V516-G538 PolarHBondContact O-N 3.49Å
517	N	96.3	Very high	94.7	Very high	2 Å²	2	35 Å²	35	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.3	-178.2	-53	-87.3	0	0	0	108.9	I508 F509 D515 G538 N539 W540 F543	I508-N517 WeakPolarHBondContact CA-O 3.47Å; F509-N517 HydrophobicContact CB-CB 4.32Å; F509-N517 HydrophobicContact CD1-CB 4.29Å; F509-N517 PolarHBondContact N-O 3.32Å; F509-N517 WeakPolarHBondContact O-CB 3.35Å; F509-N517 PolarHBondContact O-N 3.22Å; F509-N517 PolarHBondContact O-ND2 3.42Å; D515-N517 PolarHBondContact O-ND2 3.17Å; N517-G538 WeakPolarHBondContact OD1-CA 3.41Å; N517-N539 PolarHBondContact OD1-N 3.16Å; N517-W540 HydrophobicContact CB-CB 3.6Å; N517-W540 HydrophobicContact CB-CG 4.38Å; N517-W540 VanDerWaalsContact CG-CB 3.47Å; N517-W540 VanDerWaalsContact OD1-CB 3.22Å; N517-W540 WeakPolarHBondContact OD1-CB 3.43Å; N517-W540 PolarHBondContact OD1-N 3.33Å; N517-F543 HydrophobicContact CB-CZ 3.73Å
518	F	95	Very high	95.1	Very high	33 Å²	33	42.1 Å²	42.1	15%	0.145	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134	-176.4	-55.7	-86.4	0	0	0	110.1	I508 V516 F522 I527 L530 F543	I508-F518 HydrophobicContact CD1-CD1 4.07Å; I508-F518 HydrophobicContact CD1-CE1 3.79Å; I508-F518 HydrophobicContact CG1-CD1 3.9Å; I508-F518 HydrophobicContact CG1-CE1 4.1Å; V516-F518 HydrophobicContact CB-CE2 4.18Å; V516-F518 HydrophobicContact CB-CZ 4.09Å; V516-F518 HydrophobicContact CG1-CE1 3.78Å; V516-F518 HydrophobicContact CG1-CE2 3.83Å; V516-F518 HydrophobicContact CG1-CZ 3.38Å; V516-F518 WeakPolarHBondContact O-CE2 3.43Å; F518-F522 HydrophobicContact CB-CB 3.93Å; F518-F522 HydrophobicContact CB-CG 4.15Å; F518-F522 AromaticContact CD1-CD1 3.79Å; F518-F522 HydrophobicContact CD1-CD1 3.79Å; F518-F522 HydrophobicContact CD1-CD2 4.48Å; F518-F522 HydrophobicContact CD1-CE1 4.05Å; F518-F522 HydrophobicContact CD1-CG 4.05Å; F518-F522 HydrophobicContact CE1-CD1 4.49Å; F518-F522 HydrophobicContact CE1-CE1 4.43Å; F518-I527 HydrophobicContact CB-CD1 4.14Å; F518-I527 HydrophobicContact CB-CG1 4.44Å; F518-I527 HydrophobicContact CD1-CD1 4.33Å; F518-I527 HydrophobicContact CD1-CG1 3.73Å; F518-I527 HydrophobicContact CD2-CD1 4.3Å; F518-I527 HydrophobicContact CD2-CG1 3.99Å; F518-I527 HydrophobicContact CD2-CG2 4.49Å; F518-I527 HydrophobicContact CE1-CG1 3.88Å; F518-I527 HydrophobicContact CE2-CG1 4.13Å; F518-I527 HydrophobicContact CE2-CG2 4.2Å; F518-I527 HydrophobicContact CG-CD1 4Å; F518-I527 HydrophobicContact CG-CG1 3.79Å; F518-I527 HydrophobicContact CZ-CG1 4.07Å; F518-L530 HydrophobicContact CE1-CD1 3.61Å; F518-L530 HydrophobicContact CZ-CD1 3.83Å; F518-F543 WeakPolarHBondContact O-CE2 3.41Å; F518-F543 VanDerWaalsContact O-CZ 3.28Å; F518-F543 WeakPolarHBondContact O-CZ 3.46Å
519	E	93.2	Very high	95.3	Very high	28 Å²	28	42.8 Å²	42.8	13%	0.131	24%	0.242	C	C	.	.			trans	-60	146.7	174.5	-170.6	172	-174.9	0	0	111.6	P506 I507 G521 F522 F543 R564	P506-E519 WeakPolarHBondContact CA-OE2 3.45Å; P506-E519 HydrophobicContact CB-CB 4.48Å; I507-E519 WeakPolarHBondContact CD1-OE2 3.29Å; I507-E519 PolarHBondContact N-OE2 2.75Å; I507-E519 PolarHBondContact O-N 2.72Å; I507-E519 VanDerWaalsContact O-N 3.11Å; E519-G521 PolarHBondContact O-N 3.3Å; E519-F522 VanDerWaalsContact O-CB 3.27Å; E519-F522 WeakPolarHBondContact O-CB 3.28Å; E519-F522 PolarHBondContact O-N 3.19Å; E519-F522 VanDerWaalsContact O-N 3.08Å; E519-F543 HydrophobicContact CB-CB 4.39Å; E519-F543 HydrophobicContact CB-CD1 3.78Å; E519-F543 HydrophobicContact CB-CD2 4.36Å; E519-F543 HydrophobicContact CB-CE1 4.13Å; E519-F543 HydrophobicContact CB-CG 3.9Å; E519-F543 HydrophobicContact CG-CB 3.85Å; E519-F543 HydrophobicContact CG-CD1 4.17Å; E519-F543 HydrophobicContact CG-CD2 4.43Å; E519-F543 HydrophobicContact CG-CG 3.88Å; E519-R564 VanDerWaalsContact CD-NE 3.32Å; E519-R564 IonicContact OE1-CZ 3.64Å; E519-R564 IonicContact OE1-NE 2.82Å; E519-R564 PolarHBondContact OE1-NE 3.44Å; E519-R564 IonicContact OE1-NH2 2.88Å; E519-R564 PolarHBondContact OE1-NH2 3.39Å; E519-R564 IonicContact OE2-CZ 2.75Å; E519-R564 IonicContact OE2-NE 2.65Å; E519-R564 PolarHBondContact OE2-NE 2.86Å; E519-R564 IonicContact OE2-NH2 2.59Å; E519-R564 PolarHBondContact OE2-NH2 3.22Å
520	P	90.6	Very high	95.4	Very high	106 Å²	106	42.8 Å²	42.8	69%	0.688	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	133.6	173.7	-29.3	36.8	0	0	0	112.5
521	G	90.3	Very high	95.5	Very high	78 Å²	78	45.7 Å²	45.7	80%	0.804	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	4.6	-177.1	0	0	0	0	0	115.2	E519	E519-G521 PolarHBondContact O-N 3.3Å
522	F	94.9	Very high	95.7	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.035	30%	0.295	C	S	.	.			trans	-61	148.6	174.5	-154.8	-82.9	0	0	0	112.4	Y319 P506 I508 F518 E519 Q524 V526 I527	Y319-F522 HydrophobicContact CD1-CZ 4.27Å; Y319-F522 HydrophobicContact CD2-CZ 4.43Å; Y319-F522 HydrophobicContact CE1-CE2 4.44Å; Y319-F522 AromaticContact CE1-CZ 3.8Å; Y319-F522 HydrophobicContact CE1-CZ 3.8Å; Y319-F522 HydrophobicContact CE2-CE1 4.47Å; Y319-F522 AromaticContact CE2-CZ 4Å; Y319-F522 HydrophobicContact CE2-CZ 4Å; Y319-F522 AromaticContact CZ-CZ 3.65Å; P506-F522 HydrophobicContact CB-CD2 3.42Å; P506-F522 VanDerWaalsContact CB-CD2 3.42Å; P506-F522 HydrophobicContact CB-CE2 3.84Å; P506-F522 HydrophobicContact CB-CG 4.37Å; P506-F522 WeakPolarHBondContact O-CE2 3.28Å; I508-F522 HydrophobicContact CD1-CE1 4.05Å; I508-F522 HydrophobicContact CD1-CE2 4.13Å; I508-F522 HydrophobicContact CD1-CZ 3.53Å; I508-F522 HydrophobicContact CG1-CD2 4.31Å; I508-F522 HydrophobicContact CG1-CE1 4.24Å; I508-F522 HydrophobicContact CG1-CE2 3.51Å; I508-F522 HydrophobicContact CG1-CZ 3.47Å; I508-F522 VanDerWaalsContact CG1-CZ 3.47Å; F518-F522 HydrophobicContact CB-CB 3.93Å; F518-F522 HydrophobicContact CB-CG 4.15Å; F518-F522 AromaticContact CD1-CD1 3.79Å; F518-F522 HydrophobicContact CD1-CD1 3.79Å; F518-F522 HydrophobicContact CD1-CD2 4.48Å; F518-F522 HydrophobicContact CD1-CE1 4.05Å; F518-F522 HydrophobicContact CD1-CG 4.05Å; F518-F522 HydrophobicContact CE1-CD1 4.49Å; F518-F522 HydrophobicContact CE1-CE1 4.43Å; E519-F522 VanDerWaalsContact O-CB 3.27Å; E519-F522 WeakPolarHBondContact O-CB 3.28Å; E519-F522 PolarHBondContact O-N 3.19Å; E519-F522 VanDerWaalsContact O-N 3.08Å; F522-Q524 PolarHBondContact O-N 3.49Å; F522-Q524 VanDerWaalsContact O-N 3.15Å; F522-Q524 PolarHBondContact O-NE2 2.83Å; F522-Q524 VanDerWaalsContact O-NE2 3.13Å; F522-V526 HydrophobicContact CE1-CB 4.07Å; F522-V526 HydrophobicContact CE1-CG1 3.83Å; F522-I527 HydrophobicContact CB-CD1 4.16Å; F522-I527 HydrophobicContact CD1-CD1 4.27Å; F522-I527 HydrophobicContact CD1-CG1 4.05Å
523	D	95.9	Very high	96	Very high	56 Å²	56	53.8 Å²	53.8	30%	0.299	30%	0.297	S	S	.	.			trans	-57.7	114.1	-176.5	-173.5	-24.3	0	0	0	112.1	K315 S525 V526 I527	K315-D523 IonicContact NZ-OD2 2.75Å; K315-D523 PolarHBondContact NZ-OD2 3.07Å; D523-S525 VanDerWaalsContact C-N 3.28Å; D523-S525 VanDerWaalsContact CG-OG 3.32Å; D523-S525 PolarHBondContact O-N 2.91Å; D523-S525 WeakPolarHBondContact OD1-CB 3.49Å; D523-S525 PolarHBondContact OD1-N 3.03Å; D523-S525 PolarHBondContact OD1-OG 2.97Å; D523-S525 PolarHBondContact OD2-OG 3.44Å; D523-V526 HydrophobicContact CB-CB 4.2Å; D523-V526 HydrophobicContact CB-CG2 3.94Å; D523-V526 PolarHBondContact O-N 3.09Å; D523-I527 PolarHBondContact O-N 3.22Å; D523-I527 VanDerWaalsContact O-N 3.07Å
524	Q	96.5	Very high	96.2	Very high	116 Å²	116	49.4 Å²	49.4	54%	0.542	29%	0.289	S	S	.	.	H	α-helix	trans	-66.2	-27.8	-177.3	-64.6	-58.7	-53.8	0	0	113.4	F522 V526 K528	F522-Q524 PolarHBondContact O-N 3.49Å; F522-Q524 VanDerWaalsContact O-N 3.15Å; F522-Q524 PolarHBondContact O-NE2 2.83Å; F522-Q524 VanDerWaalsContact O-NE2 3.13Å; Q524-V526 VanDerWaalsContact C-N 3.34Å; Q524-K528 WeakPolarHBondContact O-CB 3.18Å; Q524-K528 VanDerWaalsContact O-CG 3.29Å; Q524-K528 WeakPolarHBondContact O-CG 3.37Å; Q524-K528 PolarHBondContact O-N 2.81Å; Q524-K528 VanDerWaalsContact O-N 3.08Å
525	S	96.9	Very high	96.3	Very high	69 Å²	69	49.2 Å²	49.2	48%	0.483	29%	0.287	S	S	.	.	H	α-helix	trans	-67.3	-40.5	175.6	70.9	0	0	0	0	110.5	D523 K528 G529	D523-S525 VanDerWaalsContact C-N 3.28Å; D523-S525 VanDerWaalsContact CG-OG 3.32Å; D523-S525 PolarHBondContact O-N 2.91Å; D523-S525 WeakPolarHBondContact OD1-CB 3.49Å; D523-S525 PolarHBondContact OD1-N 3.03Å; D523-S525 PolarHBondContact OD1-OG 2.97Å; D523-S525 PolarHBondContact OD2-OG 3.44Å; S525-K528 PolarHBondContact O-N 3.11Å; S525-G529 PolarHBondContact O-N 2.53Å
526	V	97.6	Very high	96.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.7	-45.6	176.1	177.9	0	0	0	0	111	K315 I316 Y319 F522 D523 Q524 K528 G529 L530	K315-V526 HydrophobicContact CD-CG2 3.72Å; K315-V526 HydrophobicContact CG-CG2 3.95Å; I316-V526 HydrophobicContact CG1-CG2 4.49Å; Y319-V526 HydrophobicContact CD2-CG1 3.56Å; Y319-V526 HydrophobicContact CD2-CG2 4.39Å; Y319-V526 HydrophobicContact CE2-CG1 4.24Å; Y319-V526 HydrophobicContact CG-CG1 4.15Å; F522-V526 HydrophobicContact CE1-CB 4.07Å; F522-V526 HydrophobicContact CE1-CG1 3.83Å; D523-V526 HydrophobicContact CB-CB 4.2Å; D523-V526 HydrophobicContact CB-CG2 3.94Å; D523-V526 PolarHBondContact O-N 3.09Å; Q524-V526 VanDerWaalsContact C-N 3.34Å; V526-K528 VanDerWaalsContact C-N 3.32Å; V526-K528 PolarHBondContact O-N 3.05Å; V526-G529 PolarHBondContact O-N 2.79Å; V526-L530 HydrophobicContact CG1-CD1 3.71Å; V526-L530 HydrophobicContact CG1-CG 4.13Å; V526-L530 WeakPolarHBondContact O-CB 3.49Å; V526-L530 VanDerWaalsContact O-CG 3.27Å; V526-L530 WeakPolarHBondContact O-CG 3.29Å; V526-L530 PolarHBondContact O-N 3.19Å
527	I	97.6	Very high	96.3	Very high	26 Å²	26	56.5 Å²	56.5	13%	0.133	33%	0.325	C	S	.	.	H	α-helix	trans	-57.8	-46.3	177.8	-68.1	164.9	0	0	0	111.1	F518 F522 D523 L530 T531	F518-I527 HydrophobicContact CB-CD1 4.14Å; F518-I527 HydrophobicContact CB-CG1 4.44Å; F518-I527 HydrophobicContact CD1-CD1 4.33Å; F518-I527 HydrophobicContact CD1-CG1 3.73Å; F518-I527 HydrophobicContact CD2-CD1 4.3Å; F518-I527 HydrophobicContact CD2-CG1 3.99Å; F518-I527 HydrophobicContact CD2-CG2 4.49Å; F518-I527 HydrophobicContact CE1-CG1 3.88Å; F518-I527 HydrophobicContact CE2-CG1 4.13Å; F518-I527 HydrophobicContact CE2-CG2 4.2Å; F518-I527 HydrophobicContact CG-CD1 4Å; F518-I527 HydrophobicContact CG-CG1 3.79Å; F518-I527 HydrophobicContact CZ-CG1 4.07Å; F522-I527 HydrophobicContact CB-CD1 4.16Å; F522-I527 HydrophobicContact CD1-CD1 4.27Å; F522-I527 HydrophobicContact CD1-CG1 4.05Å; D523-I527 PolarHBondContact O-N 3.22Å; D523-I527 VanDerWaalsContact O-N 3.07Å; I527-L530 PolarHBondContact O-N 3Å; I527-T531 WeakPolarHBondContact O-CB 3.48Å; I527-T531 PolarHBondContact O-N 3.3Å; I527-T531 PolarHBondContact O-OG1 3.1Å
528	K	97.8	Very high	96.1	Very high	153 Å²	153	57.6 Å²	57.6	67%	0.665	34%	0.337	S	S	*	.	H	α-helix	trans	-61.8	-46.2	176.6	-73	175.4	-178	-179.2	0	112	Q524 S525 V526 L530 T531 H532	Q524-K528 WeakPolarHBondContact O-CB 3.18Å; Q524-K528 VanDerWaalsContact O-CG 3.29Å; Q524-K528 WeakPolarHBondContact O-CG 3.37Å; Q524-K528 PolarHBondContact O-N 2.81Å; Q524-K528 VanDerWaalsContact O-N 3.08Å; S525-K528 PolarHBondContact O-N 3.11Å; V526-K528 VanDerWaalsContact C-N 3.32Å; V526-K528 PolarHBondContact O-N 3.05Å; K528-L530 PolarHBondContact O-N 3.06Å; K528-T531 PolarHBondContact O-N 3.2Å; K528-H532 PolarHBondContact O-N 3.02Å
529	G	98.2	Very high	95.5	Very high	14 Å²	14	63.6 Å²	63.6	14%	0.144	37%	0.37	C	S	.	.	H	α-helix	trans	-58.8	-46.3	176.7	0	0	0	0	0	112.5	S525 V526 T531 H532 L533	S525-G529 PolarHBondContact O-N 2.53Å; V526-G529 PolarHBondContact O-N 2.79Å; G529-T531 VanDerWaalsContact C-N 3.34Å; G529-T531 PolarHBondContact O-N 3.49Å; G529-H532 WeakPolarHBondContact O-CB 3.29Å; G529-H532 PolarHBondContact O-N 2.87Å; G529-L533 WeakPolarHBondContact O-CG 3.38Å; G529-L533 PolarHBondContact O-N 2.97Å
530	L	98.3	Very high	95.1	Very high	0 Å²	0	64 Å²	64	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-37.9	176.4	-68	171.4	0	0	0	112.4	I316 H320 I323 I508 F518 V526 I527 K528 H532 L533 G534 H535	I316-L530 HydrophobicContact CG2-CD2 4.48Å; H320-L530 HydrophobicContact CB-CD2 3.91Å; I323-L530 HydrophobicContact CD1-CD1 3.65Å; I323-L530 HydrophobicContact CD1-CD2 3.83Å; I323-L530 HydrophobicContact CD1-CG 4.32Å; I508-L530 HydrophobicContact CD1-CD1 4.21Å; F518-L530 HydrophobicContact CE1-CD1 3.61Å; F518-L530 HydrophobicContact CZ-CD1 3.83Å; V526-L530 HydrophobicContact CG1-CD1 3.71Å; V526-L530 HydrophobicContact CG1-CG 4.13Å; V526-L530 WeakPolarHBondContact O-CB 3.49Å; V526-L530 VanDerWaalsContact O-CG 3.27Å; V526-L530 WeakPolarHBondContact O-CG 3.29Å; V526-L530 PolarHBondContact O-N 3.19Å; I527-L530 PolarHBondContact O-N 3Å; K528-L530 PolarHBondContact O-N 3.06Å; L530-H532 VanDerWaalsContact C-N 3.32Å; L530-L533 HydrophobicContact CD2-CD1 4.44Å; L530-L533 CarbonylContact O-C 3.58Å; L530-L533 WeakPolarHBondContact O-CB 3.37Å; L530-L533 PolarHBondContact O-N 3.12Å; L530-G534 PolarHBondContact O-N 3.1Å; L530-H535 HydrophobicContact CB-CB 4.27Å; L530-H535 WeakPolarHBondContact O-CB 3.34Å; L530-H535 PolarHBondContact O-CD2 2.83Å; L530-H535 PolarHBondContact O-N 3.16Å
531	T	98.1	Very high	94.2	Very high	64 Å²	64	63 Å²	63	39%	0.393	37%	0.366	S	S	.	.	H	α-helix	trans	-66.3	-38	176.8	-54.8	0	0	0	0	110.7	I527 K528 G529 L533 G534	I527-T531 WeakPolarHBondContact O-CB 3.48Å; I527-T531 PolarHBondContact O-N 3.3Å; I527-T531 PolarHBondContact O-OG1 3.1Å; K528-T531 PolarHBondContact O-N 3.2Å; G529-T531 VanDerWaalsContact C-N 3.34Å; G529-T531 PolarHBondContact O-N 3.49Å; T531-L533 VanDerWaalsContact C-N 3.3Å; T531-L533 PolarHBondContact O-N 3.05Å; T531-G534 WeakPolarHBondContact O-CA 3.34Å; T531-G534 PolarHBondContact O-N 3.21Å
532	H	97.9	Very high	93.5	Very high	174 Å²	174	61.9 Å²	61.9	81%	0.806	34%	0.34	S	S	*	.	H	α-helix	trans	-64.2	-33.4	173.5	-170.6	74.1	0	0	0	112.8	K528 G529 L530 G534	K528-H532 PolarHBondContact O-N 3.02Å; G529-H532 WeakPolarHBondContact O-CB 3.29Å; G529-H532 PolarHBondContact O-N 2.87Å; L530-H532 VanDerWaalsContact C-N 3.32Å; H532-G534 PolarHBondContact O-N 3.22Å
533	L	98.2	Very high	93	Very high	20 Å²	20	62.4 Å²	62.4	11%	0.105	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-0.9	170.4	-63.6	170.6	0	0	0	113.4	I316 H320 N366 S367 T368 G529 L530 T531	I316-L533 HydrophobicContact CG2-CD1 3.85Å; H320-L533 HydrophobicContact CB-CD1 3.85Å; N366-L533 VanDerWaalsContact C-CD2 3.48Å; N366-L533 HydrophobicContact CB-CD2 4.49Å; N366-L533 WeakPolarHBondContact O-CD2 3.4Å; S367-L533 CarbonylContact C-O 3.56Å; S367-L533 WeakPolarHBondContact CA-O 3.37Å; T368-L533 PolarHBondContact N-O 3.42Å; T368-L533 VanDerWaalsContact N-O 3.16Å; G529-L533 WeakPolarHBondContact O-CG 3.38Å; G529-L533 PolarHBondContact O-N 2.97Å; L530-L533 HydrophobicContact CD2-CD1 4.44Å; L530-L533 CarbonylContact O-C 3.58Å; L530-L533 WeakPolarHBondContact O-CB 3.37Å; L530-L533 PolarHBondContact O-N 3.12Å; T531-L533 VanDerWaalsContact C-N 3.3Å; T531-L533 PolarHBondContact O-N 3.05Å
534	G	98.2	Very high	92	Very high	39 Å²	39	60.1 Å²	60.1	40%	0.402	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	2.6	175.7	0	0	0	0	0	115.3	T368 L530 T531 H532 K536	T368-G534 WeakPolarHBondContact CG2-O 3.38Å; L530-G534 PolarHBondContact O-N 3.1Å; T531-G534 WeakPolarHBondContact O-CA 3.34Å; T531-G534 PolarHBondContact O-N 3.21Å; H532-G534 PolarHBondContact O-N 3.22Å; G534-K536 PolarHBondContact O-N 3.3Å
535	H	98.3	Very high	91.4	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.019	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64.8	129.9	175.7	-66.9	-77.4	0	0	0	110.6	H320 I323 E324 K327 V516 L530 P537	H320-H535 AromaticContact CE1-NE2 3.69Å; H320-H535 AromaticContact CG-NE2 3.88Å; H320-H535 AromaticContact ND1-CD2 3.92Å; H320-H535 AromaticContact ND1-CE1 3.64Å; H320-H535 AromaticContact ND1-NE2 2.83Å; H320-H535 PolarHBondContact ND1-NE2 3.5Å; I323-H535 WeakPolarHBondContact CG2-CE1 3.32Å; I323-H535 VanDerWaalsContact CG2-ND1 3.34Å; I323-H535 WeakPolarHBondContact CG2-ND1 3.35Å; E324-H535 IonicContact OE1-CE1 3.93Å; E324-H535 PolarHBondContact OE1-CE1 3.37Å; E324-H535 IonicContact OE1-ND1 2.75Å; K327-H535 PolarHBondContact NZ-CE1 3.37Å; K327-H535 PolarHBondContact NZ-ND1 3.48Å; V516-H535 HydrophobicContact CG2-CB 3.9Å; L530-H535 HydrophobicContact CB-CB 4.27Å; L530-H535 WeakPolarHBondContact O-CB 3.34Å; L530-H535 PolarHBondContact O-CD2 2.83Å; L530-H535 PolarHBondContact O-N 3.16Å; H535-P537 WeakPolarHBondContact O-CD 3.22Å
536	K	97	Very high	91.1	Very high	121 Å²	121	51.3 Å²	51.3	53%	0.526	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-86.5	117.7	179.1	-65.9	173.6	-176	166.1	0	109.5	D370 V516 G534 G538	D370-K536 IonicContact OD1-NZ 2.72Å; V516-K536 PolarHBondContact N-O 3.1Å; G534-K536 PolarHBondContact O-N 3.3Å; K536-G538 PolarHBondContact O-N 3.29Å
537	P	95.3	Very high	91.1	Very high	75 Å²	75	51.3 Å²	51.3	49%	0.487	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-62.8	130.4	171.3	-21.7	34.6	0	0	0	110.4	V516 H535	V516-P537 CarbonylContact O-C 3.53Å; V516-P537 VanDerWaalsContact O-CA 3.3Å; V516-P537 WeakPolarHBondContact O-CA 3.43Å; H535-P537 WeakPolarHBondContact O-CD 3.22Å
538	G	91.8	Very high	91.1	Very high	26 Å²	26	50.1 Å²	50.1	27%	0.268	28%	0.275	S	S	.	.			trans	-88.5	177.7	173.8	0	0	0	0	0	112.6	V516 N517 K536	V516-G538 PolarHBondContact O-N 3.49Å; N517-G538 WeakPolarHBondContact OD1-CA 3.41Å; K536-G538 PolarHBondContact O-N 3.29Å
539	N	83	Confident	91.2	Very high	159 Å²	159	42.8 Å²	42.8	85%	0.85	24%	0.243	S	C	*	.			trans	-118	69.4	179.9	-173.4	19.2	0	0	0	110.6	N517	N517-N539 PolarHBondContact OD1-N 3.16Å
540	W	84.6	Confident	91.2	Very high	35 Å²	35	42.1 Å²	42.1	13%	0.133	24%	0.236	C	C	.	.			trans	-104.7	113.9	177.9	-159	-96.8	0	0	0	110.1	F128 D382 F384 L480 F509 N517 F542 F543	F128-W540 HydrophobicContact CD2-CH2 4.19Å; F128-W540 HydrophobicContact CD2-CZ3 4.3Å; F128-W540 HydrophobicContact CE2-CH2 4.05Å; D382-W540 HydrophobicContact CB-CH2 3.56Å; D382-W540 HydrophobicContact CB-CZ3 3.94Å; F384-W540 AromaticContact CD1-CZ2 3.98Å; F384-W540 HydrophobicContact CD1-CZ2 3.98Å; F384-W540 HydrophobicContact CD2-CH2 4.44Å; F384-W540 HydrophobicContact CD2-CZ2 4.12Å; F384-W540 AromaticContact CE1-CE2 3.38Å; F384-W540 HydrophobicContact CE1-CH2 4.32Å; F384-W540 AromaticContact CE1-CZ2 3.2Å; F384-W540 HydrophobicContact CE1-CZ2 3.2Å; F384-W540 AromaticContact CE1-NE1 3.19Å; F384-W540 AromaticContact CE2-CE2 3.93Å; F384-W540 AromaticContact CE2-CH2 3.71Å; F384-W540 HydrophobicContact CE2-CH2 3.71Å; F384-W540 AromaticContact CE2-CZ2 3.36Å; F384-W540 HydrophobicContact CE2-CZ2 3.36Å; F384-W540 HydrophobicContact CG-CZ2 4.42Å; F384-W540 HydrophobicContact CZ-CD2 4.02Å; F384-W540 AromaticContact CZ-CE2 3.05Å; F384-W540 AromaticContact CZ-CH2 3.7Å; F384-W540 HydrophobicContact CZ-CH2 3.7Å; F384-W540 AromaticContact CZ-CZ2 2.89Å; F384-W540 HydrophobicContact CZ-CZ2 2.89Å; F384-W540 AromaticContact CZ-NE1 3.21Å; L480-W540 HydrophobicContact CD1-CZ2 3.75Å; F509-W540 AromaticContact CD1-CD2 3.96Å; F509-W540 HydrophobicContact CD1-CD2 3.96Å; F509-W540 AromaticContact CD1-CE2 3.9Å; F509-W540 HydrophobicContact CD1-CE3 4.4Å; F509-W540 HydrophobicContact CD1-CG 4.21Å; F509-W540 HydrophobicContact CD1-CZ2 4.32Å; F509-W540 AromaticContact CE1-CD2 3.82Å; F509-W540 HydrophobicContact CE1-CD2 3.82Å; F509-W540 AromaticContact CE1-CE2 3.67Å; F509-W540 AromaticContact CE1-CE3 3.9Å; F509-W540 HydrophobicContact CE1-CE3 3.9Å; F509-W540 AromaticContact CE1-CH2 3.83Å; F509-W540 HydrophobicContact CE1-CH2 3.83Å; F509-W540 AromaticContact CE1-CZ2 3.65Å; F509-W540 HydrophobicContact CE1-CZ2 3.65Å; F509-W540 AromaticContact CE1-CZ3 3.92Å; F509-W540 HydrophobicContact CE1-CZ3 3.92Å; F509-W540 HydrophobicContact CZ-CH2 4.41Å; F509-W540 HydrophobicContact CZ-CZ2 4.35Å; N517-W540 HydrophobicContact CB-CB 3.6Å; N517-W540 HydrophobicContact CB-CG 4.38Å; N517-W540 VanDerWaalsContact CG-CB 3.47Å; N517-W540 VanDerWaalsContact OD1-CB 3.22Å; N517-W540 WeakPolarHBondContact OD1-CB 3.43Å; N517-W540 PolarHBondContact OD1-N 3.33Å; W540-F542 PolarHBondContact NE1-O 3.08Å; W540-F543 HydrophobicContact CB-CE2 4.33Å; W540-F543 WeakPolarHBondContact O-CE2 3.34Å
541	S	71.1	Confident	91.2	Very high	86 Å²	86	42.3 Å²	42.3	60%	0.601	24%	0.237	S	C	*	.			trans	-89.1	-15	-171.9	48.3	0	0	0	0	114.2
542	F	77.3	Confident	91.1	Very high	55 Å²	55	41.8 Å²	41.8	24%	0.241	23%	0.229	C	C	.	.			trans	-128.9	106.3	-173.4	-66.3	-75.7	0	0	0	112.5	H185 F384 W540 L544	H185-F542 AromaticContact CD2-CE2 3.52Å; H185-F542 AromaticContact CD2-CZ 3.37Å; H185-F542 WeakPolarHBondContact CD2-CZ 3.43Å; H185-F542 AromaticContact NE2-CE2 3.48Å; H185-F542 WeakPolarHBondContact NE2-CE2 3.39Å; H185-F542 AromaticContact NE2-CZ 3.85Å; F384-F542 HydrophobicContact CE1-CB 4.32Å; F384-F542 VanDerWaalsContact CE1-O 3.3Å; F384-F542 WeakPolarHBondContact CE1-O 3.46Å; F384-F542 HydrophobicContact CZ-CB 4.27Å; W540-F542 PolarHBondContact NE1-O 3.08Å; F542-L544 HydrophobicContact CB-CD1 3.68Å; F542-L544 HydrophobicContact CB-CG 3.99Å; F542-L544 HydrophobicContact CD1-CD1 4.49Å; F542-L544 HydrophobicContact CG-CD1 4.35Å; F542-L544 PolarHBondContact O-N 3.32Å
543	F	83.3	Confident	90.8	Very high	19 Å²	19	35.7 Å²	35.7	8%	0.083	20%	0.201	C	C	.	.			trans	-94.4	95.2	171.1	-75.9	-99.2	0	0	0	108.9	L480 F509 N517 F518 E519 W540	L480-F543 HydrophobicContact CD2-CD1 4.31Å; F509-F543 HydrophobicContact CB-CE1 4.03Å; N517-F543 HydrophobicContact CB-CZ 3.73Å; F518-F543 WeakPolarHBondContact O-CE2 3.41Å; F518-F543 VanDerWaalsContact O-CZ 3.28Å; F518-F543 WeakPolarHBondContact O-CZ 3.46Å; E519-F543 HydrophobicContact CB-CB 4.39Å; E519-F543 HydrophobicContact CB-CD1 3.78Å; E519-F543 HydrophobicContact CB-CD2 4.36Å; E519-F543 HydrophobicContact CB-CE1 4.13Å; E519-F543 HydrophobicContact CB-CG 3.9Å; E519-F543 HydrophobicContact CG-CB 3.85Å; E519-F543 HydrophobicContact CG-CD1 4.17Å; E519-F543 HydrophobicContact CG-CD2 4.43Å; E519-F543 HydrophobicContact CG-CG 3.88Å; W540-F543 HydrophobicContact CB-CE2 4.33Å; W540-F543 WeakPolarHBondContact O-CE2 3.34Å
544	L	75.5	Confident	90.4	Very high	7 Å²	7	42 Å²	42	4%	0.037	24%	0.235	C	C	.	.			trans	-122	16.2	-173.3	-59.2	165.1	0	0	0	111.2	Y178 F182 F542	Y178-L544 HydrophobicContact CE2-CD2 3.94Å; F182-L544 HydrophobicContact CE1-CD1 3.26Å; F182-L544 HydrophobicContact CE1-CG 4.46Å; F182-L544 HydrophobicContact CZ-CD1 3.32Å; F182-L544 HydrophobicContact CZ-CD2 3.85Å; F182-L544 HydrophobicContact CZ-CG 4.11Å; F542-L544 HydrophobicContact CB-CD1 3.68Å; F542-L544 HydrophobicContact CB-CG 3.99Å; F542-L544 HydrophobicContact CD1-CD1 4.49Å; F542-L544 HydrophobicContact CG-CD1 4.35Å; F542-L544 PolarHBondContact O-N 3.32Å
545	N	83.6	Confident	89.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.239	C	C	.	.			trans	-67	137.9	170.2	67.6	-83.6	0	0	0	108.2	S476 L480 S484 I507 R564	S476-N545 VanDerWaalsContact O-CA 3.25Å; S476-N545 WeakPolarHBondContact O-CA 3.4Å; L480-N545 HydrophobicContact CB-CB 3.61Å; L480-N545 HydrophobicContact CD2-CB 4Å; L480-N545 HydrophobicContact CG-CB 4.4Å; S484-N545 WeakPolarHBondContact CB-ND2 3.39Å; I507-N545 WeakPolarHBondContact CD1-ND2 3.26Å; I507-N545 VanDerWaalsContact CG1-ND2 3.26Å; I507-N545 WeakPolarHBondContact CG1-ND2 3.47Å; N545-R564 VanDerWaalsContact O-CD 3.26Å; N545-R564 WeakPolarHBondContact O-CD 3.44Å
546	V	91.1	Very high	89.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.8	177.5	155.5	0	0	0	0	107.8	D49 G475 S476 N548 D562 R564 K565	D49-V546 WeakPolarHBondContact OD1-CG1 3.33Å; G475-V546 CarbonylContact C-O 3.45Å; G475-V546 WeakPolarHBondContact CA-O 3.26Å; S476-V546 PolarHBondContact N-O 2.88Å; S476-V546 PolarHBondContact O-N 3.27Å; V546-N548 VanDerWaalsContact CG1-OD1 3.32Å; V546-N548 WeakPolarHBondContact CG1-OD1 3.39Å; V546-D562 HydrophobicContact CB-CB 3.89Å; V546-D562 HydrophobicContact CG1-CB 3.53Å; V546-D562 HydrophobicContact CG2-CB 3.8Å; V546-R564 HydrophobicContact CG2-CB 4.03Å; V546-K565 HydrophobicContact CB-CD 4.02Å; V546-K565 HydrophobicContact CB-CG 4.33Å; V546-K565 HydrophobicContact CG1-CD 4.38Å; V546-K565 HydrophobicContact CG2-CB 3.73Å; V546-K565 HydrophobicContact CG2-CD 3.57Å; V546-K565 HydrophobicContact CG2-CG 3.35Å
547	V	97.4	Very high	89.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.5	171.3	178.9	0	0	0	0	108.2	M473 G474 V485 I503 D562	M473-V547 HydrophobicContact CE-CG1 4.01Å; M473-V547 HydrophobicContact CG-CG1 3.73Å; M473-V547 HydrophobicContact SD-CG1 3.91Å; G474-V547 WeakPolarHBondContact O-CA 3.37Å; V485-V547 HydrophobicContact CG2-CG2 4.1Å; I503-V547 HydrophobicContact CD1-CG1 4.18Å; I503-V547 HydrophobicContact CG1-CB 4.19Å; I503-V547 HydrophobicContact CG1-CG1 3.94Å; I503-V547 HydrophobicContact CG2-CB 4.24Å; I503-V547 WeakPolarHBondContact CG2-O 3.41Å; V547-D562 PolarHBondContact N-OD2 2.82Å
548	N	98.3	Very high	89.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.9	176.1	-71	-24.8	0	0	0	107.5	S47 D49 H388 S390 G474 V546 S561 D562	S47-N548 VanDerWaalsContact OG-CB 3.23Å; S47-N548 WeakPolarHBondContact OG-CB 3.18Å; D49-N548 PolarHBondContact N-ND2 3.38Å; D49-N548 PolarHBondContact OD1-ND2 3.08Å; H388-N548 PolarHBondContact CD2-O 3.32Å; H388-N548 PolarHBondContact O-ND2 3.21Å; S390-N548 PolarHBondContact OG-O 3.32Å; G474-N548 PolarHBondContact N-O 2.83Å; G474-N548 PolarHBondContact O-N 3.11Å; V546-N548 VanDerWaalsContact CG1-OD1 3.32Å; V546-N548 WeakPolarHBondContact CG1-OD1 3.39Å; N548-S561 VanDerWaalsContact OD1-CA 3.27Å; N548-S561 WeakPolarHBondContact OD1-CA 3.2Å; N548-D562 PolarHBondContact OD1-N 3.35Å
549	A	98.5	Very high	90.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	154.5	-173.9	0	0	0	0	0	113.8	L471 V472 M473 L499 I503 V560	L471-A549 HydrophobicContact CD1-CB 4.22Å; V472-A549 CarbonylContact O-C 3.58Å; V472-A549 WeakPolarHBondContact O-CA 3.48Å; V472-A549 WeakPolarHBondContact O-CB 3.3Å; M473-A549 HydrophobicContact CB-CB 4.02Å; M473-A549 HydrophobicContact CE-CB 3.65Å; M473-A549 HydrophobicContact CG-CB 4.07Å; L499-A549 HydrophobicContact CD1-CB 4.04Å; L499-A549 HydrophobicContact CD2-CB 4.35Å; I503-A549 HydrophobicContact CD1-CB 3.84Å; A549-V560 PolarHBondContact N-O 3.41Å; A549-V560 PolarHBondContact O-N 3.19Å
550	L	98.5	Very high	90.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.7	170.4	-69.4	88	0	0	0	109.8	A45 S390 I392 L471 V472 I557 E558 A559	A45-L550 VanDerWaalsContact C-CD2 3.45Å; A45-L550 HydrophobicContact CB-CD2 3.55Å; A45-L550 WeakPolarHBondContact O-CD2 3.22Å; S390-L550 WeakPolarHBondContact O-CD1 3.22Å; I392-L550 HydrophobicContact CB-CD2 4.22Å; I392-L550 HydrophobicContact CD1-CB 3.76Å; I392-L550 HydrophobicContact CD1-CD2 4.43Å; I392-L550 HydrophobicContact CG1-CB 4.14Å; I392-L550 HydrophobicContact CG1-CD2 4.15Å; L471-L550 CarbonylContact C-O 3.56Å; L471-L550 WeakPolarHBondContact CA-O 3.16Å; V472-L550 HydrophobicContact CB-CB 4.47Å; V472-L550 PolarHBondContact N-O 3.31Å; V472-L550 PolarHBondContact O-N 3.25Å; L550-I557 HydrophobicContact CB-CG2 4.27Å; L550-I557 HydrophobicContact CD2-CG2 3.97Å; L550-I557 HydrophobicContact CG-CG2 4.5Å; L550-E558 CarbonylContact C-O 3.53Å; L550-E558 VanDerWaalsContact CA-O 3.32Å; L550-E558 WeakPolarHBondContact CA-O 3.45Å; L550-A559 HydrophobicContact CD2-CB 4.05Å; L550-A559 HydrophobicContact CG-CB 3.78Å
551	E	97.6	Very high	91.5	Very high	4 Å²	4	27 Å²	27	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.7	176.2	-171.9	172	-112.6	0	0	109.4	K465 I470 L471 R492 L499 I557 E558	K465-E551 WeakPolarHBondContact CE-OE1 3.22Å; K465-E551 IonicContact NZ-OE1 2.78Å; K465-E551 PolarHBondContact NZ-OE1 3.45Å; K465-E551 IonicContact NZ-OE2 2.74Å; I470-E551 CarbonylContact O-C 3.4Å; I470-E551 WeakPolarHBondContact O-CA 3.47Å; L471-E551 HydrophobicContact CD1-CB 4Å; L471-E551 HydrophobicContact CD1-CG 4.44Å; R492-E551 IonicContact CZ-OE1 2.89Å; R492-E551 IonicContact CZ-OE2 3.46Å; R492-E551 IonicContact NE-OE1 3.15Å; R492-E551 PolarHBondContact NE-OE1 2.84Å; R492-E551 IonicContact NE-OE2 3.31Å; R492-E551 PolarHBondContact NE-OE2 2.82Å; R492-E551 VanDerWaalsContact NH2-CD 3.34Å; R492-E551 IonicContact NH2-OE1 2.78Å; R492-E551 PolarHBondContact NH2-OE1 3.25Å; R492-E551 IonicContact NH2-OE2 2.75Å; R492-E551 PolarHBondContact NH2-OE2 3.29Å; L499-E551 HydrophobicContact CD2-CB 3.77Å; E551-I557 CarbonylContact O-C 3.26Å; E551-I557 WeakPolarHBondContact O-CA 3.11Å; E551-E558 PolarHBondContact N-O 2.59Å; E551-E558 PolarHBondContact O-N 2.89Å
552	K	96.4	Very high	92.7	Very high	53 Å²	53	23 Å²	23	23%	0.23	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.9	175.8	-175.4	172.9	-177.5	171.3	0	109.6	I392 G469 I470 C556 I557	I392-K552 HydrophobicContact CD1-CB 3.98Å; I392-K552 HydrophobicContact CG2-CD 4.25Å; G469-K552 CarbonylContact C-O 3.45Å; G469-K552 WeakPolarHBondContact CA-O 3.27Å; I470-K552 HydrophobicContact CG1-CB 3.94Å; I470-K552 PolarHBondContact N-O 3.14Å; I470-K552 PolarHBondContact O-N 3.28Å; K552-C556 VanDerWaalsContact CA-O 3.3Å; K552-C556 WeakPolarHBondContact CA-O 3.27Å; K552-I557 HydrophobicContact CB-CG1 4.18Å; K552-I557 HydrophobicContact CD-CG1 4.2Å; K552-I557 HydrophobicContact CG-CG1 4Å
553	E	92.9	Very high	93.4	Very high	45 Å²	45	24.2 Å²	24.2	21%	0.21	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	138.3	-178.4	-166	147.6	-142.7	0	0	109.1	K465 S467 G555 C556	K465-E553 IonicContact NZ-OE1 3.21Å; K465-E553 IonicContact NZ-OE2 2.93Å; K465-E553 PolarHBondContact NZ-OE2 2.61Å; S467-E553 WeakPolarHBondContact CB-OE1 3.31Å; S467-E553 PolarHBondContact OG-OE1 3.16Å; E553-G555 PolarHBondContact O-N 3.19Å; E553-G555 VanDerWaalsContact O-N 3.08Å; E553-C556 PolarHBondContact N-O 3.24Å; E553-C556 PolarHBondContact O-N 3.04Å; E553-C556 VanDerWaalsContact O-O 3.05Å
554	D	88.9	Confident	93.8	Very high	154 Å²	154	24.9 Å²	24.9	82%	0.824	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	34.6	-179.6	-54.4	-39	0	0	0	114.9	C556	D554-C556 PolarHBondContact O-N 3.37Å
555	G	88.6	Confident	94.5	Very high	48 Å²	48	24.8 Å²	24.8	50%	0.495	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	2.8	-179.1	0	0	0	0	0	115	E553	E553-G555 PolarHBondContact O-N 3.19Å; E553-G555 VanDerWaalsContact O-N 3.08Å
556	C	94.8	Very high	94.9	Very high	21 Å²	21	30 Å²	30	14%	0.142	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	151.3	174.4	-67.4	0	0	0	0	111.3	C36 R40 F41 K552 E553 D554	C36-C556 WeakPolarHBondContact CA-SG 3.49Å; C36-C556 HydrophobicContact CB-CB 3.94Å; C36-C556 WeakPolarHBondContact CB-SG 3.32Å; C36-C556 VanDerWaalsContact SG-CA 3.53Å; C36-C556 WeakPolarHBondContact SG-CB 3.38Å; C36-C556 CovalentContact SG-SG 2.04Å; C36-C556 PolarHBondContact SG-SG 2.72Å; R40-C556 HydrophobicContact CB-CB 4.32Å; F41-C556 CarbonylContact O-C 3.17Å; K552-C556 VanDerWaalsContact CA-O 3.3Å; K552-C556 WeakPolarHBondContact CA-O 3.27Å; E553-C556 PolarHBondContact N-O 3.24Å; E553-C556 PolarHBondContact O-N 3.04Å; E553-C556 VanDerWaalsContact O-O 3.05Å; D554-C556 PolarHBondContact O-N 3.37Å
557	I	97.6	Very high	94.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.8	179.2	-54.2	170.4	0	0	0	108.8	R40 F41 A45 I392 L550 E551 K552	R40-I557 CarbonylContact C-O 3.59Å; R40-I557 WeakPolarHBondContact CA-O 3.3Å; F41-I557 HydrophobicContact CB-CB 4.36Å; F41-I557 PolarHBondContact N-O 3.48Å; F41-I557 PolarHBondContact O-N 3.17Å; A45-I557 HydrophobicContact CB-CG2 3.96Å; I392-I557 HydrophobicContact CB-CD1 4.3Å; I392-I557 HydrophobicContact CD1-CG2 4.43Å; I392-I557 HydrophobicContact CG2-CD1 3.92Å; L550-I557 HydrophobicContact CB-CG2 4.27Å; L550-I557 HydrophobicContact CD2-CG2 3.97Å; L550-I557 HydrophobicContact CG-CG2 4.5Å; E551-I557 CarbonylContact O-C 3.26Å; E551-I557 WeakPolarHBondContact O-CA 3.11Å; K552-I557 HydrophobicContact CB-CG1 4.18Å; K552-I557 HydrophobicContact CD-CG1 4.2Å; K552-I557 HydrophobicContact CG-CG1 4Å
558	E	97.4	Very high	94.9	Very high	33 Å²	33	35 Å²	35	15%	0.154	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.9	165.5	-171.4	171	159.2	0	0	108.4	R40 L499 L550 E551 V560	R40-E558 HydrophobicContact CG-CB 4.12Å; R40-E558 IonicContact CZ-OE2 3.76Å; R40-E558 IonicContact NE-OE2 3.82Å; R40-E558 PolarHBondContact NE-OE2 3.14Å; R40-E558 IonicContact NH2-OE2 2.81Å; R40-E558 PolarHBondContact NH2-OE2 3.39Å; L499-E558 HydrophobicContact CB-CG 4.5Å; L499-E558 HydrophobicContact CD2-CB 4.42Å; L499-E558 HydrophobicContact CD2-CG 4.22Å; L550-E558 CarbonylContact C-O 3.53Å; L550-E558 VanDerWaalsContact CA-O 3.32Å; L550-E558 WeakPolarHBondContact CA-O 3.45Å; E551-E558 PolarHBondContact N-O 2.59Å; E551-E558 PolarHBondContact O-N 2.89Å; E558-V560 HydrophobicContact CG-CG2 4.4Å
559	A	97.8	Very high	94.9	Very high	11 Å²	11	36.6 Å²	36.6	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.7	178.3	0	0	0	0	0	110.3	F41 A45 L550 S569	F41-A559 HydrophobicContact CD2-CB 4.11Å; F41-A559 HydrophobicContact CE2-CB 3.92Å; A45-A559 HydrophobicContact CB-CB 3.84Å; L550-A559 HydrophobicContact CD2-CB 4.05Å; L550-A559 HydrophobicContact CG-CB 3.78Å; A559-S569 WeakPolarHBondContact O-CB 3.35Å; A559-S569 PolarHBondContact O-OG 3.19Å
560	V	98.1	Very high	94.9	Very high	16 Å²	16	36.7 Å²	36.7	10%	0.097	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.3	-177	180	0	0	0	0	109	S47 L499 K500 I503 A549 E558	S47-V560 VanDerWaalsContact OG-C 3.24Å; S47-V560 PolarHBondContact OG-O 3.42Å; L499-V560 HydrophobicContact CB-CG2 4.41Å; L499-V560 HydrophobicContact CD2-CB 4.37Å; L499-V560 HydrophobicContact CD2-CG2 3.86Å; L499-V560 HydrophobicContact CG-CB 4.41Å; L499-V560 HydrophobicContact CG-CG2 3.9Å; K500-V560 HydrophobicContact CB-CG2 4.15Å; I503-V560 HydrophobicContact CB-CG1 4.21Å; I503-V560 HydrophobicContact CD1-CB 3.8Å; I503-V560 HydrophobicContact CD1-CG1 3.63Å; I503-V560 HydrophobicContact CG2-CG1 4.18Å; A549-V560 PolarHBondContact N-O 3.41Å; A549-V560 PolarHBondContact O-N 3.19Å; E558-V560 HydrophobicContact CG-CG2 4.4Å
561	S	97.6	Very high	94.8	Very high	14 Å²	14	37.3 Å²	37.3	10%	0.098	22%	0.219	C	C	.	.			trans	-100.9	136.9	164.2	-69.3	0	0	0	0	108.8	S47 A48 N548 S563 M568 S569	S47-S561 WeakPolarHBondContact OG-CA 3.39Å; S47-S561 PolarHBondContact OG-N 2.7Å; S47-S561 PolarHBondContact OG-OG 3.17Å; A48-S561 PolarHBondContact N-OG 3.15Å; A48-S561 WeakPolarHBondContact O-CB 3.48Å; A48-S561 PolarHBondContact O-OG 3.42Å; N548-S561 VanDerWaalsContact OD1-CA 3.27Å; N548-S561 WeakPolarHBondContact OD1-CA 3.2Å; S561-S563 PolarHBondContact O-N 3.15Å; S561-M568 VanDerWaalsContact OG-C 3.22Å; S561-M568 PolarHBondContact OG-O 3.45Å; S561-S569 PolarHBondContact OG-N 2.96Å
562	D	95.6	Very high	94.7	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.011	24%	0.235	C	C	.	.			trans	-69.2	128.1	-180	-163.2	-37.7	0	0	0	111.3	I503 V546 V547 N548 R564 K565 G567	I503-D562 HydrophobicContact CG2-CB 3.94Å; V546-D562 HydrophobicContact CB-CB 3.89Å; V546-D562 HydrophobicContact CG1-CB 3.53Å; V546-D562 HydrophobicContact CG2-CB 3.8Å; V547-D562 PolarHBondContact N-OD2 2.82Å; N548-D562 PolarHBondContact OD1-N 3.35Å; D562-R564 PolarHBondContact O-N 3.07Å; D562-R564 WeakPolarHBondContact OD1-CB 3.36Å; D562-R564 VanDerWaalsContact OD1-CG 3.28Å; D562-R564 WeakPolarHBondContact OD1-CG 3.45Å; D562-R564 IonicContact OD1-CZ 3.22Å; D562-R564 PolarHBondContact OD1-N 3.49Å; D562-R564 IonicContact OD1-NH1 2.78Å; D562-R564 PolarHBondContact OD1-NH1 3.07Å; D562-R564 VanDerWaalsContact OD1-NH1 3.15Å; D562-R564 IonicContact OD2-CZ 2.72Å; D562-R564 IonicContact OD2-NH1 3.21Å; D562-R564 PolarHBondContact OD2-NH1 3.45Å; D562-K565 PolarHBondContact O-N 3.13Å; D562-G567 PolarHBondContact O-N 2.95Å
563	S	93.1	Very high	94.6	Very high	81 Å²	81	40.9 Å²	40.9	57%	0.566	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-67.4	-14.9	179.2	52.5	0	0	0	0	114	S561 K565 L566	S561-S563 PolarHBondContact O-N 3.15Å; S563-K565 PolarHBondContact O-N 2.91Å; S563-L566 WeakPolarHBondContact O-CA 3.41Å; S563-L566 PolarHBondContact O-N 3.02Å
564	R	91.3	Very high	94.7	Very high	32 Å²	32	40.7 Å²	40.7	12%	0.121	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.7	177.8	-70.2	169.7	-175.9	90.2	5.7	113.3	I503 A504 A505 E519 N545 V546 D562	I503-R564 PolarHBondContact O-NH1 3.24Å; A504-R564 PolarHBondContact O-NH2 2.74Å; A505-R564 PolarHBondContact O-NH2 2.92Å; E519-R564 VanDerWaalsContact CD-NE 3.32Å; E519-R564 IonicContact OE1-CZ 3.64Å; E519-R564 IonicContact OE1-NE 2.82Å; E519-R564 PolarHBondContact OE1-NE 3.44Å; E519-R564 IonicContact OE1-NH2 2.88Å; E519-R564 PolarHBondContact OE1-NH2 3.39Å; E519-R564 IonicContact OE2-CZ 2.75Å; E519-R564 IonicContact OE2-NE 2.65Å; E519-R564 PolarHBondContact OE2-NE 2.86Å; E519-R564 IonicContact OE2-NH2 2.59Å; E519-R564 PolarHBondContact OE2-NH2 3.22Å; N545-R564 VanDerWaalsContact O-CD 3.26Å; N545-R564 WeakPolarHBondContact O-CD 3.44Å; V546-R564 HydrophobicContact CG2-CB 4.03Å; D562-R564 PolarHBondContact O-N 3.07Å; D562-R564 WeakPolarHBondContact OD1-CB 3.36Å; D562-R564 VanDerWaalsContact OD1-CG 3.28Å; D562-R564 WeakPolarHBondContact OD1-CG 3.45Å; D562-R564 IonicContact OD1-CZ 3.22Å; D562-R564 PolarHBondContact OD1-N 3.49Å; D562-R564 IonicContact OD1-NH1 2.78Å; D562-R564 PolarHBondContact OD1-NH1 3.07Å; D562-R564 VanDerWaalsContact OD1-NH1 3.15Å; D562-R564 IonicContact OD2-CZ 2.72Å; D562-R564 IonicContact OD2-NH1 3.21Å; D562-R564 PolarHBondContact OD2-NH1 3.45Å
565	K	89.5	Confident	95	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.022	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-98.6	6.1	170.1	-81.5	-177	-174	-166	0	114.2	D49 Y178 T386 S476 V546 D562 S563 G567	D49-K565 HydrophobicContact CB-CB 4.4Å; D49-K565 HydrophobicContact CB-CD 3.78Å; D49-K565 VanDerWaalsContact OD2-CD 3.24Å; D49-K565 WeakPolarHBondContact OD2-CD 3.37Å; D49-K565 IonicContact OD2-NZ 4Å; D49-K565 PolarHBondContact OD2-NZ 2.68Å; Y178-K565 HydrophobicContact CD1-CG 4.25Å; Y178-K565 HydrophobicContact CD2-CB 4.34Å; Y178-K565 HydrophobicContact CD2-CG 4.07Å; Y178-K565 HydrophobicContact CE1-CD 3.95Å; Y178-K565 HydrophobicContact CE1-CG 3.73Å; Y178-K565 HydrophobicContact CE2-CB 4.25Å; Y178-K565 HydrophobicContact CE2-CG 3.53Å; Y178-K565 HydrophobicContact CG-CG 4.4Å; Y178-K565 VanDerWaalsContact OH-CE 3.31Å; Y178-K565 WeakPolarHBondContact OH-CE 3.39Å; T386-K565 PolarHBondContact O-NZ 3.36Å; S476-K565 WeakPolarHBondContact OG-CE 3.44Å; S476-K565 PolarHBondContact OG-NZ 3.37Å; V546-K565 HydrophobicContact CB-CD 4.02Å; V546-K565 HydrophobicContact CB-CG 4.33Å; V546-K565 HydrophobicContact CG1-CD 4.38Å; V546-K565 HydrophobicContact CG2-CB 3.73Å; V546-K565 HydrophobicContact CG2-CD 3.57Å; V546-K565 HydrophobicContact CG2-CG 3.35Å; D562-K565 PolarHBondContact O-N 3.13Å; S563-K565 PolarHBondContact O-N 2.91Å; K565-G567 PolarHBondContact O-N 3.3Å
566	L	91.4	Very high	95.3	Very high	110 Å²	110	33.6 Å²	33.6	58%	0.576	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	29.1	-169	-45.6	173.7	0	0	0	111.9	P177 S563	P177-L566 HydrophobicContact CB-CD1 3.98Å; S563-L566 WeakPolarHBondContact O-CA 3.41Å; S563-L566 PolarHBondContact O-N 3.02Å
567	G	92.9	Very high	95.4	Very high	7 Å²	7	34.4 Å²	34.4	7%	0.072	19%	0.19	C	C	.	.			trans	-69.1	146.8	176.6	0	0	0	0	0	110.9	D562 K565	D562-G567 PolarHBondContact O-N 2.95Å; K565-G567 PolarHBondContact O-N 3.3Å
568	M	96.4	Very high	95.2	Very high	98 Å²	98	36.7 Å²	36.7	48%	0.483	20%	0.203	S	C	.	.			trans	-137.5	136.6	169.4	-63.7	-179.9	62.8	0	0	108.5	Q51 S54 S561	Q51-M568 HydrophobicContact CB-CB 3.87Å; Q51-M568 HydrophobicContact CB-CG 4.31Å; Q51-M568 HydrophobicContact CB-SD 4.35Å; Q51-M568 HydrophobicContact CG-CB 3.96Å; Q51-M568 HydrophobicContact CG-SD 4.23Å; Q51-M568 PolarHBondContact OE1-SD 3.21Å; Q51-M568 VanDerWaalsContact OE1-SD 3.39Å; S54-M568 WeakPolarHBondContact CB-O 3.42Å; S54-M568 PolarHBondContact OG-O 3.27Å; S561-M568 VanDerWaalsContact OG-C 3.22Å; S561-M568 PolarHBondContact OG-O 3.45Å
569	S	97.6	Very high	95.1	Very high	34 Å²	34	36.9 Å²	36.9	24%	0.238	21%	0.206	C	C	.	.			trans	-78.6	157.8	175.5	53.9	0	0	0	0	110.7	V46 A559 S561	V46-S569 CarbonylContact O-C 3.49Å; V46-S569 VanDerWaalsContact O-CA 3.24Å; V46-S569 WeakPolarHBondContact O-CA 3.46Å; V46-S569 WeakPolarHBondContact O-CB 3.41Å; A559-S569 WeakPolarHBondContact O-CB 3.35Å; A559-S569 PolarHBondContact O-OG 3.19Å; S561-S569 PolarHBondContact OG-N 2.96Å
570	A	98.1	Very high	94.9	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.5	179.3	0	0	0	0	0	109.9	A45 V46 E55 K58	A45-A570 CarbonylContact C-O 3.28Å; A45-A570 VanDerWaalsContact CA-O 3.28Å; A45-A570 WeakPolarHBondContact CA-O 3.35Å; V46-A570 PolarHBondContact N-O 3.08Å; V46-A570 PolarHBondContact O-N 3.48Å; E55-A570 HydrophobicContact CG-CB 4.25Å; E55-A570 WeakPolarHBondContact OE1-CB 3.4Å; K58-A570 HydrophobicContact CB-CB 4Å; K58-A570 HydrophobicContact CD-CB 4.04Å; K58-A570 HydrophobicContact CG-CB 4.49Å
571	G	96.9	Very high	94.6	Very high	13 Å²	13	40.8 Å²	40.8	13%	0.134	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-177.3	-179.9	0	0	0	0	0	112.3	F41 A44	F41-G571 WeakPolarHBondContact CD1-O 3.29Å; F41-G571 VanDerWaalsContact CE1-C 3.47Å; F41-G571 WeakPolarHBondContact CE1-O 3.49Å; A44-G571 CarbonylContact O-C 3.56Å; A44-G571 WeakPolarHBondContact O-CA 3.31Å
572	Y	94.9	Very high	94.3	Very high	91 Å²	91	43.3 Å²	43.3	36%	0.357	24%	0.237	S	C	.	.			trans	-148.4	0	177.9	65.5	-86.8	0	0	0	113.5	R42 H43 A44 K58 L61 L62	R42-Y572 PolarHBondContact N-O 3.35Å; R42-Y572 VanDerWaalsContact N-O 3.16Å; H43-Y572 HydrophobicContact CB-CD2 3.87Å; H43-Y572 HydrophobicContact CB-CE2 3.64Å; H43-Y572 AromaticContact CD2-CD2 3.99Å; H43-Y572 PolarHBondContact N-O 2.93Å; A44-Y572 HydrophobicContact CB-CD1 4.38Å; A44-Y572 HydrophobicContact CB-CE1 3.79Å; A44-Y572 PolarHBondContact N-O 3.23Å; A44-Y572 PolarHBondContact O-N 2.89Å; K58-Y572 HydrophobicContact CG-CD1 4.09Å; L61-Y572 HydrophobicContact CB-CE1 3.98Å; L61-Y572 PolarHBondContact O-OH 3Å; L62-Y572 HydrophobicContact CB-CE1 4.38Å; L62-Y572 HydrophobicContact CD1-CD1 4.47Å; L62-Y572 HydrophobicContact CD2-CD1 3.41Å; L62-Y572 VanDerWaalsContact CD2-CD1 3.41Å; L62-Y572 HydrophobicContact CD2-CD2 3.73Å; L62-Y572 HydrophobicContact CD2-CE1 3.54Å; L62-Y572 HydrophobicContact CD2-CE2 3.86Å; L62-Y572 HydrophobicContact CD2-CG 3.51Å; L62-Y572 HydrophobicContact CG-CD1 3.62Å; L62-Y572 HydrophobicContact CG-CE1 3.6Å; L62-Y572 HydrophobicContact CG-CG 4.22Å

Retrieved 572 of 572 residues in 286.6 ms (Link to these results)

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