G4VH55_SCHMA Loading...

ATP-dependent DNA helicase

AlphaFold DB , UniProt , Accession G4VH55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 652 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	51.7	Low	69.1	Low	201 Å²	201	96.5 Å²	96.5	99%	0.99	57%	0.57	S	S	*	*				0	-24.6	0	-76.1	-177.4	172.6	0	0	112	S4	M1-S4 PolarHBondContact O-OG 3.37Å
2	D	55.2	Low	70.5	Confident	139 Å²	139	98.8 Å²	98.8	74%	0.743	57%	0.571	S	S	*	*	H	α-helix	trans	-72.2	-26.2	179.2	-58.5	-32.8	0	0	0	115.1	S5 S6	D2-S5 PolarHBondContact O-OG 2.8Å; D2-S6 WeakPolarHBondContact O-CB 3.48Å; D2-S6 PolarHBondContact O-N 3.35Å
3	S	56.3	Low	71.9	Confident	92 Å²	92	102.2 Å²	102.2	64%	0.643	58%	0.578	S	S	*	*	H	α-helix	trans	-71.9	-33.2	176.7	56.4	0	0	0	0	113.4	T7	S3-T7 PolarHBondContact O-N 3.23Å; S3-T7 PolarHBondContact O-OG1 3.18Å
4	S	56.4	Low	73.3	Confident	69 Å²	69	100.8 Å²	100.8	48%	0.483	57%	0.573	S	S	.	*	H	α-helix	trans	-74.6	-37.7	179.4	47	0	0	0	0	112.6	M1 T7 T8	M1-S4 PolarHBondContact O-OG 3.37Å; S4-T7 PolarHBondContact O-N 3.08Å; S4-T8 PolarHBondContact O-N 3.3Å; S4-T8 VanDerWaalsContact O-N 3.12Å; S4-T8 PolarHBondContact O-OG1 2.93Å
5	S	59.3	Low	74.4	Confident	64 Å²	64	101.4 Å²	101.4	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-68.1	-40.6	177.4	65.1	0	0	0	0	111.6	D2 T7 T8 Q9	D2-S5 PolarHBondContact O-OG 2.8Å; S5-T7 VanDerWaalsContact C-N 3.32Å; S5-T7 PolarHBondContact O-N 3.1Å; S5-T8 PolarHBondContact O-N 3.24Å; S5-Q9 PolarHBondContact O-N 3.36Å
6	S	68.2	Low	75.5	Confident	78 Å²	78	105.6 Å²	105.6	55%	0.545	58%	0.583	S	S	.	*	H	α-helix	trans	-56	-43.8	172.1	158.1	0	0	0	0	112.1	D2 G10	D2-S6 WeakPolarHBondContact O-CB 3.48Å; D2-S6 PolarHBondContact O-N 3.35Å; S6-G10 PolarHBondContact O-N 3.41Å; S6-G10 VanDerWaalsContact O-N 3.08Å
7	T	76.8	Confident	76.5	Confident	84 Å²	84	103.4 Å²	103.4	52%	0.515	58%	0.577	S	S	.	*	H	α-helix	trans	-68.1	-43.4	-179.1	-52.1	0	0	0	0	111.7	S3 S4 S5 G10 I11	S3-T7 PolarHBondContact O-N 3.23Å; S3-T7 PolarHBondContact O-OG1 3.18Å; S4-T7 PolarHBondContact O-N 3.08Å; S5-T7 VanDerWaalsContact C-N 3.32Å; S5-T7 PolarHBondContact O-N 3.1Å; T7-G10 PolarHBondContact O-N 2.82Å; T7-I11 HydrophobicContact CG2-CD1 4.31Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.16Å; T7-I11 VanDerWaalsContact O-N 3.14Å
8	T	81	Confident	77.5	Confident	82 Å²	82	102.7 Å²	102.7	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-64.7	-40.6	177.9	-54.1	0	0	0	0	112.1	S4 S5 I11 Q12	S4-T8 PolarHBondContact O-N 3.3Å; S4-T8 VanDerWaalsContact O-N 3.12Å; S4-T8 PolarHBondContact O-OG1 2.93Å; S5-T8 PolarHBondContact O-N 3.24Å; T8-I11 PolarHBondContact O-N 3.2Å; T8-Q12 WeakPolarHBondContact O-CG 3.37Å; T8-Q12 PolarHBondContact O-N 3.18Å
9	Q	80.1	Confident	78.3	Confident	125 Å²	125	104.7 Å²	104.7	58%	0.584	57%	0.573	S	S	*	*	H	α-helix	trans	-61.8	-45.2	174.8	-99	177.1	-26.5	0	0	112	S5 I11 Q12 E13	S5-Q9 PolarHBondContact O-N 3.36Å; Q9-I11 VanDerWaalsContact C-N 3.32Å; Q9-I11 PolarHBondContact O-N 2.81Å; Q9-Q12 PolarHBondContact O-N 3.3Å; Q9-E13 PolarHBondContact O-N 3.41Å
10	G	86.6	Confident	79	Confident	31 Å²	31	107.3 Å²	107.3	32%	0.32	58%	0.579	S	S	.	*	H	α-helix	trans	-60.6	-37.9	177.8	0	0	0	0	0	113.5	S6 T7 T14	S6-G10 PolarHBondContact O-N 3.41Å; S6-G10 VanDerWaalsContact O-N 3.08Å; T7-G10 PolarHBondContact O-N 2.82Å; G10-T14 PolarHBondContact O-N 3.43Å; G10-T14 VanDerWaalsContact O-N 3.1Å; G10-T14 PolarHBondContact O-OG1 3.5Å
11	I	88.3	Confident	79.7	Confident	97 Å²	97	106.3 Å²	106.3	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-67.3	-43.2	175.1	-65.9	168.8	0	0	0	111.1	T7 T8 Q9 E13 T14 L15	T7-I11 HydrophobicContact CG2-CD1 4.31Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.16Å; T7-I11 VanDerWaalsContact O-N 3.14Å; T8-I11 PolarHBondContact O-N 3.2Å; Q9-I11 VanDerWaalsContact C-N 3.32Å; Q9-I11 PolarHBondContact O-N 2.81Å; I11-E13 PolarHBondContact O-N 3.37Å; I11-T14 PolarHBondContact O-N 2.77Å; I11-L15 HydrophobicContact CG2-CD1 4.17Å; I11-L15 PolarHBondContact O-N 3.39Å
12	Q	86.7	Confident	81.7	Confident	123 Å²	123	101.7 Å²	101.7	58%	0.575	55%	0.551	S	S	*	*	H	α-helix	trans	-62.8	-40.6	178.7	-76.9	-177.6	-18	0	0	112.3	T8 Q9 L15 K16	T8-Q12 WeakPolarHBondContact O-CG 3.37Å; T8-Q12 PolarHBondContact O-N 3.18Å; Q9-Q12 PolarHBondContact O-N 3.3Å; Q12-L15 PolarHBondContact O-N 3.49Å; Q12-K16 WeakPolarHBondContact O-CB 3.47Å; Q12-K16 PolarHBondContact O-N 2.84Å
13	E	87.9	Confident	83.5	Confident	143 Å²	143	99.4 Å²	99.4	67%	0.668	54%	0.539	S	S	*	.	H	α-helix	trans	-64.2	-41.6	174.8	-72.5	-175.2	165.7	0	0	111.9	Q9 I11 K16 S17	Q9-E13 PolarHBondContact O-N 3.41Å; I11-E13 PolarHBondContact O-N 3.37Å; E13-K16 PolarHBondContact O-N 3.45Å; E13-S17 WeakPolarHBondContact O-CB 3.5Å; E13-S17 PolarHBondContact O-N 2.97Å
14	T	91.2	Very high	85.3	Confident	83 Å²	83	97.8 Å²	97.8	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-62.2	-45	175.9	-55.7	0	0	0	0	111.5	G10 I11 K16 S17 L18	G10-T14 PolarHBondContact O-N 3.43Å; G10-T14 VanDerWaalsContact O-N 3.1Å; G10-T14 PolarHBondContact O-OG1 3.5Å; I11-T14 PolarHBondContact O-N 2.77Å; T14-K16 PolarHBondContact O-N 2.81Å; T14-S17 WeakPolarHBondContact O-CB 3.45Å; T14-S17 PolarHBondContact O-N 2.89Å; T14-L18 HydrophobicContact CG2-CD1 4.2Å; T14-L18 WeakPolarHBondContact O-CG 3.49Å; T14-L18 PolarHBondContact O-N 3.1Å
15	L	90.9	Very high	87	Confident	110 Å²	110	99 Å²	99	58%	0.576	53%	0.528	S	S	*	.	H	α-helix	trans	-61.9	-41.6	176.2	-81	171	0	0	0	112.3	I11 Q12 S17 L18 K19	I11-L15 HydrophobicContact CG2-CD1 4.17Å; I11-L15 PolarHBondContact O-N 3.39Å; Q12-L15 PolarHBondContact O-N 3.49Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-L18 PolarHBondContact O-N 3.2Å; L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 PolarHBondContact O-N 3.03Å
16	K	91	Very high	88.5	Confident	169 Å²	169	99.1 Å²	99.1	74%	0.735	53%	0.526	S	S	*	.	H	α-helix	trans	-64.9	-39.9	177.4	-166.9	176.8	-178.9	-179.4	0	111.6	Q12 E13 T14 K20	Q12-K16 WeakPolarHBondContact O-CB 3.47Å; Q12-K16 PolarHBondContact O-N 2.84Å; E13-K16 PolarHBondContact O-N 3.45Å; T14-K16 PolarHBondContact O-N 2.81Å; K16-K20 PolarHBondContact O-N 3.13Å; K16-K20 VanDerWaalsContact O-N 3.11Å
17	S	92.4	Very high	89.7	Confident	67 Å²	67	101.8 Å²	101.8	47%	0.469	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-48.7	174	-177.4	0	0	0	0	111.9	E13 T14 L15 K19 K20 N21	E13-S17 WeakPolarHBondContact O-CB 3.5Å; E13-S17 PolarHBondContact O-N 2.97Å; T14-S17 WeakPolarHBondContact O-CB 3.45Å; T14-S17 PolarHBondContact O-N 2.89Å; L15-S17 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.16Å; S17-K20 WeakPolarHBondContact O-CB 3.41Å; S17-K20 PolarHBondContact O-N 3.36Å; S17-N21 PolarHBondContact O-N 3.37Å
18	L	95	Very high	90.5	Very high	92 Å²	92	102.8 Å²	102.8	48%	0.482	53%	0.527	S	S	.	.	H	α-helix	trans	-61.4	-43.9	178	-74.7	172.1	0	0	0	112.3	T14 L15 K20 N21 I22	T14-L18 HydrophobicContact CG2-CD1 4.2Å; T14-L18 WeakPolarHBondContact O-CG 3.49Å; T14-L18 PolarHBondContact O-N 3.1Å; L15-L18 PolarHBondContact O-N 3.2Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-K20 PolarHBondContact O-N 3.14Å; L18-N21 WeakPolarHBondContact O-CB 3.48Å; L18-N21 PolarHBondContact O-N 2.85Å; L18-N21 VanDerWaalsContact O-N 3.15Å; L18-I22 WeakPolarHBondContact O-CG1 3.49Å; L18-I22 PolarHBondContact O-N 2.89Å
19	K	93.1	Very high	91	Very high	140 Å²	140	103 Å²	103	61%	0.609	52%	0.524	S	S	*	.	H	α-helix	trans	-61.2	-42.9	177.2	-171.9	164.4	-177.5	173	0	111.8	L15 S17 N21 I22 D23	L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 PolarHBondContact O-N 3.03Å; S17-K19 PolarHBondContact O-N 3.16Å; K19-N21 VanDerWaalsContact C-N 3.29Å; K19-N21 PolarHBondContact O-N 3.43Å; K19-I22 PolarHBondContact O-N 2.81Å; K19-D23 VanDerWaalsContact O-CG 3.25Å; K19-D23 PolarHBondContact O-N 3.12Å
20	K	92.6	Very high	91.5	Very high	157 Å²	157	101.9 Å²	101.9	68%	0.683	52%	0.522	S	S	*	.	H	α-helix	trans	-59.6	-39	174.5	-169.4	-177.3	-176.2	-173.4	0	112.2	K16 S17 L18 S24	K16-K20 PolarHBondContact O-N 3.13Å; K16-K20 VanDerWaalsContact O-N 3.11Å; S17-K20 WeakPolarHBondContact O-CB 3.41Å; S17-K20 PolarHBondContact O-N 3.36Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-K20 PolarHBondContact O-N 3.14Å; K20-S24 WeakPolarHBondContact O-CB 3.47Å; K20-S24 PolarHBondContact O-N 3.03Å
21	N	93.8	Very high	91.7	Very high	87 Å²	87	105.2 Å²	105.2	47%	0.465	53%	0.529	S	S	.	.	H	α-helix	trans	-68.1	-42.1	176.1	-69.7	-16.5	0	0	0	112	S17 L18 K19 S24 I25	S17-N21 PolarHBondContact O-N 3.37Å; L18-N21 WeakPolarHBondContact O-CB 3.48Å; L18-N21 PolarHBondContact O-N 2.85Å; L18-N21 VanDerWaalsContact O-N 3.15Å; K19-N21 VanDerWaalsContact C-N 3.29Å; K19-N21 PolarHBondContact O-N 3.43Å; N21-S24 PolarHBondContact O-N 3.46Å; N21-I25 VanDerWaalsContact O-CG1 3.31Å; N21-I25 WeakPolarHBondContact O-CG1 3.12Å; N21-I25 PolarHBondContact O-N 3.11Å
22	I	93.1	Very high	92	Very high	103 Å²	103	105.7 Å²	105.7	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-60.4	-47.4	175.4	-69.4	167.6	0	0	0	110.6	L18 K19 S24 I25 T26	L18-I22 WeakPolarHBondContact O-CG1 3.49Å; L18-I22 PolarHBondContact O-N 2.89Å; K19-I22 PolarHBondContact O-N 2.81Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 3.07Å; I22-I25 PolarHBondContact O-N 3.47Å; I22-T26 WeakPolarHBondContact O-CB 3.48Å; I22-T26 PolarHBondContact O-N 2.9Å; I22-T26 PolarHBondContact O-OG1 3.35Å
23	D	93.7	Very high	92.1	Very high	91 Å²	91	103 Å²	103	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-40.2	179	-65.3	-21.2	0	0	0	110.9	K19 T26 K27	K19-D23 VanDerWaalsContact O-CG 3.25Å; K19-D23 PolarHBondContact O-N 3.12Å; D23-T26 PolarHBondContact O-N 3.47Å; D23-K27 PolarHBondContact O-N 3.16Å
24	S	93	Very high	92.2	Very high	59 Å²	59	101.7 Å²	101.7	41%	0.413	52%	0.516	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.2	-175.4	0	0	0	0	112.7	K20 N21 I22 K27 Q28	K20-S24 WeakPolarHBondContact O-CB 3.47Å; K20-S24 PolarHBondContact O-N 3.03Å; N21-S24 PolarHBondContact O-N 3.46Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 3.07Å; S24-K27 PolarHBondContact O-N 3.4Å; S24-Q28 WeakPolarHBondContact O-CG 3.34Å; S24-Q28 PolarHBondContact O-N 3.47Å; S24-Q28 VanDerWaalsContact O-N 3.16Å
25	I	93	Very high	92.2	Very high	93 Å²	93	103.1 Å²	103.1	48%	0.477	52%	0.517	S	S	.	.	H	α-helix	trans	-66	-41.5	177.5	-70.6	167.4	0	0	0	110.3	N21 I22 K27 Q28 I29	N21-I25 VanDerWaalsContact O-CG1 3.31Å; N21-I25 WeakPolarHBondContact O-CG1 3.12Å; N21-I25 PolarHBondContact O-N 3.11Å; I22-I25 PolarHBondContact O-N 3.47Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3Å; I25-Q28 PolarHBondContact O-N 2.9Å; I25-I29 HydrophobicContact CG2-CD1 3.94Å; I25-I29 HydrophobicContact CG2-CG1 4.47Å; I25-I29 WeakPolarHBondContact O-CG1 3.41Å; I25-I29 PolarHBondContact O-N 3.17Å
26	T	91.1	Very high	92.2	Very high	67 Å²	67	105.9 Å²	105.9	41%	0.411	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-45.2	178.1	-55.2	0	0	0	0	110.8	I22 D23 Q28 I29 D30	I22-T26 WeakPolarHBondContact O-CB 3.48Å; I22-T26 PolarHBondContact O-N 2.9Å; I22-T26 PolarHBondContact O-OG1 3.35Å; D23-T26 PolarHBondContact O-N 3.47Å; T26-Q28 PolarHBondContact O-N 3.44Å; T26-I29 WeakPolarHBondContact O-CB 3.23Å; T26-I29 PolarHBondContact O-N 2.91Å; T26-D30 PolarHBondContact O-N 3.26Å
27	K	91.9	Very high	92.1	Very high	134 Å²	134	104.9 Å²	104.9	58%	0.583	52%	0.515	S	S	*	.	H	α-helix	trans	-60.5	-41.3	175.4	-171.4	-179.1	176	-172.4	0	112.8	D23 S24 I25 D30 E31	D23-K27 PolarHBondContact O-N 3.16Å; S24-K27 PolarHBondContact O-N 3.4Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3Å; K27-D30 PolarHBondContact O-N 3.42Å; K27-E31 VanDerWaalsContact CE-OE1 3.32Å; K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 WeakPolarHBondContact O-CG 3.4Å; K27-E31 PolarHBondContact O-N 3.29Å
28	Q	93.9	Very high	92	Very high	106 Å²	106	105.2 Å²	105.2	50%	0.495	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-38.4	176.2	-71.3	175.1	15.6	0	0	112.2	S24 I25 T26 D30 E31 L32	S24-Q28 WeakPolarHBondContact O-CG 3.34Å; S24-Q28 PolarHBondContact O-N 3.47Å; S24-Q28 VanDerWaalsContact O-N 3.16Å; I25-Q28 PolarHBondContact O-N 2.9Å; T26-Q28 PolarHBondContact O-N 3.44Å; Q28-D30 VanDerWaalsContact C-N 3.32Å; Q28-D30 PolarHBondContact O-N 3.36Å; Q28-E31 PolarHBondContact O-N 2.98Å; Q28-L32 WeakPolarHBondContact O-CB 3.43Å; Q28-L32 VanDerWaalsContact O-CG 3.31Å; Q28-L32 WeakPolarHBondContact O-CG 3.33Å; Q28-L32 PolarHBondContact O-N 3.04Å
29	I	91.7	Very high	91.8	Very high	87 Å²	87	106 Å²	106	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-42.5	174.6	-71.2	168.5	0	0	0	110.4	I25 T26 L32 N33	I25-I29 HydrophobicContact CG2-CD1 3.94Å; I25-I29 HydrophobicContact CG2-CG1 4.47Å; I25-I29 WeakPolarHBondContact O-CG1 3.41Å; I25-I29 PolarHBondContact O-N 3.17Å; T26-I29 WeakPolarHBondContact O-CB 3.23Å; T26-I29 PolarHBondContact O-N 2.91Å; I29-L32 PolarHBondContact O-N 3.19Å; I29-N33 WeakPolarHBondContact CG2-ND2 3.38Å; I29-N33 VanDerWaalsContact O-CB 3.29Å; I29-N33 WeakPolarHBondContact O-CB 3.5Å; I29-N33 VanDerWaalsContact O-CG 3.32Å; I29-N33 PolarHBondContact O-N 2.99Å; I29-N33 PolarHBondContact O-ND2 2.92Å; I29-N33 VanDerWaalsContact O-ND2 3.13Å
30	D	90.2	Very high	91.5	Very high	100 Å²	100	103.9 Å²	103.9	54%	0.535	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-43.5	177.9	-69.2	-24.5	0	0	0	111.9	T26 K27 Q28 N33 H34	T26-D30 PolarHBondContact O-N 3.26Å; K27-D30 PolarHBondContact O-N 3.42Å; Q28-D30 VanDerWaalsContact C-N 3.32Å; Q28-D30 PolarHBondContact O-N 3.36Å; D30-N33 PolarHBondContact O-N 3.11Å; D30-H34 WeakPolarHBondContact O-CB 3.44Å; D30-H34 PolarHBondContact O-N 3.31Å
31	E	92	Very high	91.1	Very high	102 Å²	102	99.8 Å²	99.8	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-45.3	175.1	-73.5	173.2	-171.2	0	0	111.8	K27 Q28 H34 Q35	K27-E31 VanDerWaalsContact CE-OE1 3.32Å; K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 WeakPolarHBondContact O-CG 3.4Å; K27-E31 PolarHBondContact O-N 3.29Å; Q28-E31 PolarHBondContact O-N 2.98Å; E31-H34 WeakPolarHBondContact O-CB 3.42Å; E31-H34 PolarHBondContact O-N 3.41Å; E31-Q35 WeakPolarHBondContact O-CG 3.47Å; E31-Q35 PolarHBondContact O-N 3.36Å
32	L	93.6	Very high	90.7	Very high	107 Å²	107	100.8 Å²	100.8	56%	0.56	50%	0.498	S	S	*	.	H	α-helix	trans	-65.1	-38.8	176.3	-74.2	170.8	0	0	0	112.2	Q28 I29 H34 Q35 R36	Q28-L32 WeakPolarHBondContact O-CB 3.43Å; Q28-L32 VanDerWaalsContact O-CG 3.31Å; Q28-L32 WeakPolarHBondContact O-CG 3.33Å; Q28-L32 PolarHBondContact O-N 3.04Å; I29-L32 PolarHBondContact O-N 3.19Å; L32-H34 VanDerWaalsContact C-N 3.31Å; L32-H34 PolarHBondContact O-N 3.15Å; L32-Q35 PolarHBondContact O-N 3.45Å; L32-R36 WeakPolarHBondContact O-CB 3.48Å; L32-R36 PolarHBondContact O-N 2.93Å
33	N	88.6	Confident	90.3	Very high	66 Å²	66	102.4 Å²	102.4	35%	0.353	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-39.5	174.7	-83.9	-40.8	0	0	0	111.5	I29 D30 R36 K37	I29-N33 WeakPolarHBondContact CG2-ND2 3.38Å; I29-N33 VanDerWaalsContact O-CB 3.29Å; I29-N33 WeakPolarHBondContact O-CB 3.5Å; I29-N33 VanDerWaalsContact O-CG 3.32Å; I29-N33 PolarHBondContact O-N 2.99Å; I29-N33 PolarHBondContact O-ND2 2.92Å; I29-N33 VanDerWaalsContact O-ND2 3.13Å; D30-N33 PolarHBondContact O-N 3.11Å; N33-R36 PolarHBondContact OD1-NH2 3.11Å; N33-K37 WeakPolarHBondContact O-CB 3.31Å; N33-K37 PolarHBondContact O-N 2.92Å
34	H	89.5	Confident	89.5	Confident	116 Å²	116	101.9 Å²	101.9	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-46.9	174.8	-170	77	0	0	0	111.6	D30 E31 L32 R36 K37 N38	D30-H34 WeakPolarHBondContact O-CB 3.44Å; D30-H34 PolarHBondContact O-N 3.31Å; E31-H34 WeakPolarHBondContact O-CB 3.42Å; E31-H34 PolarHBondContact O-N 3.41Å; L32-H34 VanDerWaalsContact C-N 3.31Å; L32-H34 PolarHBondContact O-N 3.15Å; H34-R36 PolarHBondContact O-N 3.21Å; H34-K37 WeakPolarHBondContact O-CB 3.37Å; H34-K37 PolarHBondContact O-N 2.99Å; H34-N38 PolarHBondContact CD2-ND2 3.18Å; H34-N38 VanDerWaalsContact CD2-ND2 3.34Å; H34-N38 PolarHBondContact NE2-ND2 3.16Å; H34-N38 VanDerWaalsContact NE2-ND2 3.18Å; H34-N38 PolarHBondContact O-N 3.05Å
35	Q	91.6	Very high	88.6	Confident	113 Å²	113	104.5 Å²	104.5	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-45.2	175.4	-73	-179.1	-0.9	0	0	112.3	E31 L32 K37 N38 L39	E31-Q35 WeakPolarHBondContact O-CG 3.47Å; E31-Q35 PolarHBondContact O-N 3.36Å; L32-Q35 PolarHBondContact O-N 3.45Å; Q35-K37 VanDerWaalsContact C-N 3.29Å; Q35-K37 PolarHBondContact O-N 2.86Å; Q35-N38 PolarHBondContact O-N 3.27Å; Q35-L39 WeakPolarHBondContact O-CG 3.41Å; Q35-L39 PolarHBondContact O-N 3.45Å
36	R	92.3	Very high	88	Confident	168 Å²	168	105.3 Å²	105.3	63%	0.634	51%	0.506	S	S	*	.	H	α-helix	trans	-57.9	-42.6	175.4	-175.4	-174.4	66	166.6	-3.1	111.2	L32 N33 H34 L39 Q40	L32-R36 WeakPolarHBondContact O-CB 3.48Å; L32-R36 PolarHBondContact O-N 2.93Å; N33-R36 PolarHBondContact OD1-NH2 3.11Å; H34-R36 PolarHBondContact O-N 3.21Å; R36-L39 PolarHBondContact O-N 3.32Å; R36-Q40 WeakPolarHBondContact O-CB 3.32Å; R36-Q40 PolarHBondContact O-N 2.91Å
37	K	88.8	Confident	87.2	Confident	148 Å²	148	106.2 Å²	106.2	64%	0.643	50%	0.504	S	S	*	.	H	α-helix	trans	-63.6	-42	177.8	-166.1	178.2	-178.9	-178.2	0	111.3	N33 H34 Q35 Q40 V41	N33-K37 WeakPolarHBondContact O-CB 3.31Å; N33-K37 PolarHBondContact O-N 2.92Å; H34-K37 WeakPolarHBondContact O-CB 3.37Å; H34-K37 PolarHBondContact O-N 2.99Å; Q35-K37 VanDerWaalsContact C-N 3.29Å; Q35-K37 PolarHBondContact O-N 2.86Å; K37-Q40 PolarHBondContact O-N 3.41Å; K37-V41 WeakPolarHBondContact O-CG2 3.44Å; K37-V41 PolarHBondContact O-N 2.99Å
38	N	89	Confident	85.9	Confident	73 Å²	73	103.1 Å²	103.1	39%	0.39	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-43.6	176.9	-68	-18.1	0	0	0	112.1	H34 Q35 Q40 V41 Q42	H34-N38 PolarHBondContact CD2-ND2 3.18Å; H34-N38 VanDerWaalsContact CD2-ND2 3.34Å; H34-N38 PolarHBondContact NE2-ND2 3.16Å; H34-N38 VanDerWaalsContact NE2-ND2 3.18Å; H34-N38 PolarHBondContact O-N 3.05Å; Q35-N38 PolarHBondContact O-N 3.27Å; N38-Q40 VanDerWaalsContact C-N 3.32Å; N38-Q40 PolarHBondContact O-N 3.43Å; N38-V41 PolarHBondContact O-N 3Å; N38-Q42 WeakPolarHBondContact O-CG 3.44Å; N38-Q42 PolarHBondContact O-N 3.42Å
39	L	91.2	Very high	84.9	Confident	110 Å²	110	104 Å²	104	58%	0.576	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-37.6	175	-73.7	170.6	0	0	0	112	Q35 R36 Q42 Y43	Q35-L39 WeakPolarHBondContact O-CG 3.41Å; Q35-L39 PolarHBondContact O-N 3.45Å; R36-L39 PolarHBondContact O-N 3.32Å; L39-Q42 PolarHBondContact O-N 3.39Å; L39-Y43 WeakPolarHBondContact O-CB 3.46Å; L39-Y43 PolarHBondContact O-N 3.14Å
40	Q	86.1	Confident	83.9	Confident	95 Å²	95	105.2 Å²	105.2	44%	0.444	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-44.5	175.7	-172.6	61.4	53.3	0	0	111.3	R36 K37 N38 Q42 Y43 D44	R36-Q40 WeakPolarHBondContact O-CB 3.32Å; R36-Q40 PolarHBondContact O-N 2.91Å; K37-Q40 PolarHBondContact O-N 3.41Å; N38-Q40 VanDerWaalsContact C-N 3.32Å; N38-Q40 PolarHBondContact O-N 3.43Å; Q40-Q42 VanDerWaalsContact C-N 3.35Å; Q40-Q42 PolarHBondContact O-N 3.49Å; Q40-Y43 PolarHBondContact O-N 2.99Å; Q40-D44 PolarHBondContact NE2-OD1 3.27Å; Q40-D44 PolarHBondContact NE2-OD2 3.46Å; Q40-D44 WeakPolarHBondContact O-CB 3.31Å; Q40-D44 PolarHBondContact O-N 2.95Å
41	V	84.7	Confident	82.6	Confident	71 Å²	71	101.7 Å²	101.7	43%	0.43	49%	0.492	S	S	.	.	H	α-helix	trans	-60.6	-44.1	175.9	171.8	0	0	0	0	111.3	K37 N38 D44 Q45	K37-V41 WeakPolarHBondContact O-CG2 3.44Å; K37-V41 PolarHBondContact O-N 2.99Å; N38-V41 PolarHBondContact O-N 3Å; V41-D44 PolarHBondContact O-N 3.48Å; V41-Q45 WeakPolarHBondContact O-CB 3.4Å; V41-Q45 VanDerWaalsContact O-CG 3.31Å; V41-Q45 WeakPolarHBondContact O-CG 3.47Å; V41-Q45 PolarHBondContact O-N 2.91Å
42	Q	86.1	Confident	81.2	Confident	108 Å²	108	100.2 Å²	100.2	51%	0.505	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-41.6	177	-70.1	179.1	16.4	0	0	112.2	N38 L39 Q40 Q45 L46	N38-Q42 WeakPolarHBondContact O-CG 3.44Å; N38-Q42 PolarHBondContact O-N 3.42Å; L39-Q42 PolarHBondContact O-N 3.39Å; Q40-Q42 VanDerWaalsContact C-N 3.35Å; Q40-Q42 PolarHBondContact O-N 3.49Å; Q42-Q45 PolarHBondContact O-N 3.18Å; Q42-L46 WeakPolarHBondContact O-CB 3.41Å; Q42-L46 PolarHBondContact O-N 3.09Å
43	Y	85.4	Confident	80	Confident	136 Å²	136	97.2 Å²	97.2	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-46.4	175	175.1	-92	0	0	0	111.3	L39 Q40 Q45 L46 K47	L39-Y43 WeakPolarHBondContact O-CB 3.46Å; L39-Y43 PolarHBondContact O-N 3.14Å; Q40-Y43 PolarHBondContact O-N 2.99Å; Y43-Q45 VanDerWaalsContact C-N 3.34Å; Y43-Q45 PolarHBondContact O-N 3.33Å; Y43-L46 PolarHBondContact O-N 3.26Å; Y43-K47 HydrophobicContact CE1-CD 3.95Å; Y43-K47 WeakPolarHBondContact O-CB 3.49Å; Y43-K47 PolarHBondContact O-N 3.18Å
44	D	75.1	Confident	78.9	Confident	80 Å²	80	95.4 Å²	95.4	43%	0.428	47%	0.469	S	S	.	.	H	α-helix	trans	-65.4	-38.1	179.7	-65.7	-27.3	0	0	0	111.5	Q40 V41 S48	Q40-D44 PolarHBondContact NE2-OD1 3.27Å; Q40-D44 PolarHBondContact NE2-OD2 3.46Å; Q40-D44 WeakPolarHBondContact O-CB 3.31Å; Q40-D44 PolarHBondContact O-N 2.95Å; V41-D44 PolarHBondContact O-N 3.48Å; D44-S48 WeakPolarHBondContact O-CB 3.32Å; D44-S48 PolarHBondContact O-N 3.25Å
45	Q	75.7	Confident	77.6	Confident	114 Å²	114	91.9 Å²	91.9	53%	0.533	46%	0.456	S	S	.	.	H	α-helix	trans	-63.9	-50.4	174.1	-76.7	176.3	-14.7	0	0	112.4	V41 Q42 Y43 K47 S48 Q49	V41-Q45 WeakPolarHBondContact O-CB 3.4Å; V41-Q45 VanDerWaalsContact O-CG 3.31Å; V41-Q45 WeakPolarHBondContact O-CG 3.47Å; V41-Q45 PolarHBondContact O-N 2.91Å; Q42-Q45 PolarHBondContact O-N 3.18Å; Y43-Q45 VanDerWaalsContact C-N 3.34Å; Y43-Q45 PolarHBondContact O-N 3.33Å; Q45-K47 VanDerWaalsContact C-N 3.32Å; Q45-K47 PolarHBondContact O-N 3.22Å; Q45-S48 WeakPolarHBondContact O-CB 3.26Å; Q45-S48 PolarHBondContact O-N 3.17Å; Q45-Q49 WeakPolarHBondContact O-CG 3.47Å; Q45-Q49 PolarHBondContact O-N 2.97Å
46	L	80	Confident	76.2	Confident	111 Å²	111	92.2 Å²	92.2	58%	0.581	46%	0.457	S	S	*	.	H	α-helix	trans	-63.6	-39.4	178.5	-78.4	166.9	0	0	0	111.6	Q42 Y43 Q49 L50	Q42-L46 WeakPolarHBondContact O-CB 3.41Å; Q42-L46 PolarHBondContact O-N 3.09Å; Y43-L46 PolarHBondContact O-N 3.26Å; L46-Q49 PolarHBondContact O-N 3.08Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 PolarHBondContact O-N 3.1Å
47	K	74.2	Confident	74.9	Confident	85 Å²	85	89.4 Å²	89.4	37%	0.37	45%	0.452	S	S	.	.	H	α-helix	trans	-61.7	-44.4	174.8	-171.9	177.8	179.9	-175.3	0	111.1	Y43 Q45 Q49 L50 T51	Y43-K47 HydrophobicContact CE1-CD 3.95Å; Y43-K47 WeakPolarHBondContact O-CB 3.49Å; Y43-K47 PolarHBondContact O-N 3.18Å; Q45-K47 VanDerWaalsContact C-N 3.32Å; Q45-K47 PolarHBondContact O-N 3.22Å; K47-Q49 PolarHBondContact O-N 3.44Å; K47-L50 PolarHBondContact O-N 2.88Å; K47-T51 PolarHBondContact O-N 3.27Å; K47-T51 PolarHBondContact O-OG1 2.94Å
48	S	65.5	Low	73.7	Confident	70 Å²	70	83 Å²	83	49%	0.49	42%	0.424	S	S	.	.	H	α-helix	trans	-60.5	-44.2	174.7	-175	0	0	0	0	111.9	D44 Q45 T51 T52	D44-S48 WeakPolarHBondContact O-CB 3.32Å; D44-S48 PolarHBondContact O-N 3.25Å; Q45-S48 WeakPolarHBondContact O-CB 3.26Å; Q45-S48 PolarHBondContact O-N 3.17Å; S48-T51 PolarHBondContact O-N 2.98Å; S48-T52 PolarHBondContact O-N 3.16Å; S48-T52 PolarHBondContact O-OG1 2.99Å
49	Q	72.1	Confident	72.2	Confident	123 Å²	123	82.5 Å²	82.5	58%	0.575	43%	0.426	S	S	*	.	H	α-helix	trans	-62.1	-43.9	177.4	-72.8	175.6	-5.2	0	0	111.8	Q45 L46 K47 T51 T52 A53	Q45-Q49 WeakPolarHBondContact O-CG 3.47Å; Q45-Q49 PolarHBondContact O-N 2.97Å; L46-Q49 PolarHBondContact O-N 3.08Å; K47-Q49 PolarHBondContact O-N 3.44Å; Q49-T51 VanDerWaalsContact C-N 3.33Å; Q49-T51 PolarHBondContact O-N 3.14Å; Q49-T52 PolarHBondContact O-N 2.86Å; Q49-A53 WeakPolarHBondContact O-CB 3.5Å; Q49-A53 PolarHBondContact O-N 3.48Å
50	L	70.8	Confident	70.4	Confident	114 Å²	114	82.4 Å²	82.4	60%	0.597	43%	0.426	S	S	*	.	H	α-helix	trans	-60.3	-44	175.4	-176.3	68.5	0	0	0	111	L46 K47 A53 R54	L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 PolarHBondContact O-N 3.1Å; K47-L50 PolarHBondContact O-N 2.88Å; L50-A53 PolarHBondContact O-N 3.25Å; L50-R54 VanDerWaalsContact O-CB 3.27Å; L50-R54 WeakPolarHBondContact O-CB 3.47Å; L50-R54 PolarHBondContact O-N 3Å
51	T	62.6	Low	68.8	Low	25 Å²	25	78.7 Å²	78.7	15%	0.153	41%	0.411	C	S	.	.	H	α-helix	trans	-61.6	-43.8	174.9	-57.5	0	0	0	0	111.3	K47 S48 Q49 R54 V55 T282 E283	K47-T51 PolarHBondContact O-N 3.27Å; K47-T51 PolarHBondContact O-OG1 2.94Å; S48-T51 PolarHBondContact O-N 2.98Å; Q49-T51 VanDerWaalsContact C-N 3.33Å; Q49-T51 PolarHBondContact O-N 3.14Å; T51-R54 PolarHBondContact O-N 3.05Å; T51-V55 HydrophobicContact CG2-CG2 4.49Å; T51-V55 VanDerWaalsContact O-CG2 3.28Å; T51-V55 WeakPolarHBondContact O-CG2 3.34Å; T51-V55 PolarHBondContact O-N 3.18Å; T51-T282 HydrophobicContact CG2-CG2 4.14Å; T51-E283 HydrophobicContact CG2-CG 3.91Å
52	T	62.6	Low	67.3	Low	72 Å²	72	80.3 Å²	80.3	44%	0.442	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-46.6	177.4	-55.7	0	0	0	0	112.2	S48 Q49 R54 V55 Q56	S48-T52 PolarHBondContact O-N 3.16Å; S48-T52 PolarHBondContact O-OG1 2.99Å; Q49-T52 PolarHBondContact O-N 2.86Å; T52-R54 VanDerWaalsContact C-N 3.27Å; T52-R54 PolarHBondContact O-N 2.88Å; T52-V55 WeakPolarHBondContact O-CB 3.42Å; T52-V55 PolarHBondContact O-N 3.31Å; T52-Q56 WeakPolarHBondContact O-CG 3.25Å; T52-Q56 PolarHBondContact O-N 3Å
53	A	68.4	Low	65.6	Low	44 Å²	44	81.3 Å²	81.3	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-59.6	-41.6	175.4	0	0	0	0	0	110.9	Q49 L50 Q56 E57	Q49-A53 WeakPolarHBondContact O-CB 3.5Å; Q49-A53 PolarHBondContact O-N 3.48Å; L50-A53 PolarHBondContact O-N 3.25Å; A53-Q56 WeakPolarHBondContact O-CB 3.33Å; A53-Q56 PolarHBondContact O-N 2.95Å; A53-E57 PolarHBondContact O-N 2.9Å
54	R	66.3	Low	64.1	Low	28 Å²	28	81 Å²	81	11%	0.106	43%	0.427	C	S	.	.	H	α-helix	trans	-69.8	-35.6	177.3	-167.2	60.9	171.1	-177.6	-0	112.9	L50 T51 T52 Q56 E57 I58 T282 V286 E289 V296	L50-R54 VanDerWaalsContact O-CB 3.27Å; L50-R54 WeakPolarHBondContact O-CB 3.47Å; L50-R54 PolarHBondContact O-N 3Å; T51-R54 PolarHBondContact O-N 3.05Å; T52-R54 VanDerWaalsContact C-N 3.27Å; T52-R54 PolarHBondContact O-N 2.88Å; R54-Q56 VanDerWaalsContact C-N 3.29Å; R54-Q56 PolarHBondContact O-N 3.22Å; R54-E57 WeakPolarHBondContact CD-OE2 3.41Å; R54-E57 IonicContact CZ-OE2 3.54Å; R54-E57 IonicContact NE-OE2 2.92Å; R54-E57 IonicContact NH1-OE2 3.68Å; R54-E57 PolarHBondContact NH1-OE2 3.46Å; R54-E57 PolarHBondContact O-N 2.99Å; R54-I58 HydrophobicContact CG-CD1 3.8Å; R54-I58 HydrophobicContact CG-CG1 4.25Å; R54-I58 WeakPolarHBondContact O-CB 3.41Å; R54-I58 WeakPolarHBondContact O-CG1 3.11Å; R54-I58 PolarHBondContact O-N 3.32Å; R54-T282 HydrophobicContact CG-CG2 4.46Å; R54-V286 HydrophobicContact CG-CG2 4.01Å; R54-E289 IonicContact NH2-OE1 3.78Å; R54-E289 PolarHBondContact NH2-OE1 3.36Å; R54-E289 IonicContact NH2-OE2 3.29Å; R54-V296 VanDerWaalsContact CZ-CG1 3.45Å; R54-V296 VanDerWaalsContact NH2-CG1 3.27Å; R54-V296 PolarHBondContact NH2-O 2.93Å
55	V	62.6	Low	63.4	Low	42 Å²	42	78 Å²	78	26%	0.255	41%	0.412	S	S	.	.	H	α-helix	trans	-57.1	-47.7	169.8	169.3	0	0	0	0	109.1	T51 T52 I58 S59 T282	T51-V55 HydrophobicContact CG2-CG2 4.49Å; T51-V55 VanDerWaalsContact O-CG2 3.28Å; T51-V55 WeakPolarHBondContact O-CG2 3.34Å; T51-V55 PolarHBondContact O-N 3.18Å; T52-V55 WeakPolarHBondContact O-CB 3.42Å; T52-V55 PolarHBondContact O-N 3.31Å; V55-I58 PolarHBondContact O-N 3.45Å; V55-S59 VanDerWaalsContact O-CB 3.24Å; V55-S59 WeakPolarHBondContact O-CB 3.4Å; V55-S59 PolarHBondContact O-N 3.06Å; V55-S59 PolarHBondContact O-OG 2.91Å; V55-S59 VanDerWaalsContact O-OG 3.05Å; V55-T282 HydrophobicContact CG2-CG2 3.7Å; V55-T282 WeakPolarHBondContact CG2-OG1 3.42Å
56	Q	61	Low	62.9	Low	119 Å²	119	75.8 Å²	75.8	56%	0.556	41%	0.409	S	S	*	.	H	α-helix	trans	-62.4	-43.8	178	-69.7	175.1	-18.1	0	0	111.8	T52 A53 R54 S59 N60	T52-Q56 WeakPolarHBondContact O-CG 3.25Å; T52-Q56 PolarHBondContact O-N 3Å; A53-Q56 WeakPolarHBondContact O-CB 3.33Å; A53-Q56 PolarHBondContact O-N 2.95Å; R54-Q56 VanDerWaalsContact C-N 3.29Å; R54-Q56 PolarHBondContact O-N 3.22Å; Q56-S59 PolarHBondContact O-N 2.89Å; Q56-N60 VanDerWaalsContact O-CB 3.28Å; Q56-N60 WeakPolarHBondContact O-CB 3.32Å; Q56-N60 PolarHBondContact O-N 2.68Å; Q56-N60 PolarHBondContact O-ND2 2.91Å; Q56-N60 PolarHBondContact O-OD1 3.26Å
57	E	65.3	Low	63	Low	110 Å²	110	75.9 Å²	75.9	51%	0.514	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-43.9	175	-75.6	-176.4	169.6	0	0	113.1	A53 R54 N60 S61	A53-E57 PolarHBondContact O-N 2.9Å; R54-E57 WeakPolarHBondContact CD-OE2 3.41Å; R54-E57 IonicContact CZ-OE2 3.54Å; R54-E57 IonicContact NE-OE2 2.92Å; R54-E57 IonicContact NH1-OE2 3.68Å; R54-E57 PolarHBondContact NH1-OE2 3.46Å; R54-E57 PolarHBondContact O-N 2.99Å; E57-N60 CarbonylContact O-C 3.56Å; E57-N60 PolarHBondContact O-N 3.04Å; E57-S61 PolarHBondContact O-N 3.2Å
58	I	62.7	Low	63.6	Low	13 Å²	13	72 Å²	72	7%	0.067	39%	0.39	C	S	.	.	H	α-helix	trans	-67.2	-41.7	178.5	-69.4	167.7	0	0	0	109.8	R54 V55 N60 S61 T282 I285 V301	R54-I58 HydrophobicContact CG-CD1 3.8Å; R54-I58 HydrophobicContact CG-CG1 4.25Å; R54-I58 WeakPolarHBondContact O-CB 3.41Å; R54-I58 WeakPolarHBondContact O-CG1 3.11Å; R54-I58 PolarHBondContact O-N 3.32Å; V55-I58 PolarHBondContact O-N 3.45Å; I58-N60 VanDerWaalsContact C-N 3.32Å; I58-N60 PolarHBondContact O-N 2.86Å; I58-S61 VanDerWaalsContact O-CB 3.3Å; I58-S61 WeakPolarHBondContact O-CB 3.34Å; I58-S61 PolarHBondContact O-N 3.49Å; I58-S61 VanDerWaalsContact O-N 3.14Å; I58-S61 PolarHBondContact O-OG 3.08Å; I58-T282 HydrophobicContact CD1-CG2 3.93Å; I58-I285 HydrophobicContact CD1-CG2 4.34Å; I58-V301 HydrophobicContact CD1-CG1 4.19Å; I58-V301 HydrophobicContact CD1-CG2 4.48Å; I58-V301 HydrophobicContact CG1-CB 4.18Å; I58-V301 HydrophobicContact CG1-CG1 4.23Å; I58-V301 HydrophobicContact CG1-CG2 4.38Å; I58-V301 HydrophobicContact CG2-CB 4.19Å; I58-V301 HydrophobicContact CG2-CG1 3.72Å
59	S	57.5	Low	64.4	Low	62 Å²	62	70.6 Å²	70.6	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-42.2	172.7	-71.7	0	0	0	0	111.3	V55 Q56 S61 L62	V55-S59 VanDerWaalsContact O-CB 3.24Å; V55-S59 WeakPolarHBondContact O-CB 3.4Å; V55-S59 PolarHBondContact O-N 3.06Å; V55-S59 PolarHBondContact O-OG 2.91Å; V55-S59 VanDerWaalsContact O-OG 3.05Å; Q56-S59 PolarHBondContact O-N 2.89Å; S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 2.84Å; S59-L62 WeakPolarHBondContact O-CB 3.35Å; S59-L62 WeakPolarHBondContact O-CD1 3.29Å; S59-L62 WeakPolarHBondContact O-CG 3.23Å; S59-L62 PolarHBondContact O-N 2.97Å
60	N	53.9	Low	64.2	Low	108 Å²	108	69.3 Å²	69.3	58%	0.578	38%	0.382	S	S	*	.	H	α-helix	trans	-73.2	-18.3	175.8	-66.5	-12.6	0	0	0	112.8	Q56 E57 I58 L62 D63	Q56-N60 VanDerWaalsContact O-CB 3.28Å; Q56-N60 WeakPolarHBondContact O-CB 3.32Å; Q56-N60 PolarHBondContact O-N 2.68Å; Q56-N60 PolarHBondContact O-ND2 2.91Å; Q56-N60 PolarHBondContact O-OD1 3.26Å; E57-N60 CarbonylContact O-C 3.56Å; E57-N60 PolarHBondContact O-N 3.04Å; I58-N60 VanDerWaalsContact C-N 3.32Å; I58-N60 PolarHBondContact O-N 2.86Å; N60-L62 PolarHBondContact O-N 2.66Å; N60-L62 VanDerWaalsContact O-N 3.1Å; N60-D63 WeakPolarHBondContact O-CB 3.39Å; N60-D63 PolarHBondContact O-N 3.14Å
61	S	53	Low	64	Low	17 Å²	17	71.5 Å²	71.5	12%	0.119	39%	0.389	C	S	.	.	H	α-helix	trans	-64.1	-13.4	175.8	84.3	0	0	0	0	113.1	E57 I58 S59 D63 K64 S65 V301	E57-S61 PolarHBondContact O-N 3.2Å; I58-S61 VanDerWaalsContact O-CB 3.3Å; I58-S61 WeakPolarHBondContact O-CB 3.34Å; I58-S61 PolarHBondContact O-N 3.49Å; I58-S61 VanDerWaalsContact O-N 3.14Å; I58-S61 PolarHBondContact O-OG 3.08Å; S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 2.84Å; S61-D63 PolarHBondContact O-N 3.42Å; S61-K64 CarbonylContact O-C 3.59Å; S61-K64 WeakPolarHBondContact O-CA 3.39Å; S61-K64 WeakPolarHBondContact O-CB 3.13Å; S61-K64 PolarHBondContact O-N 3.07Å; S61-S65 PolarHBondContact O-N 3.36Å; S61-V301 PolarHBondContact OG-O 3.36Å; S61-V301 VanDerWaalsContact OG-O 3.12Å
62	L	53.3	Low	64.4	Low	105 Å²	105	72.1 Å²	72.1	55%	0.55	39%	0.394	S	S	.	.	H	α-helix	trans	-52.7	-34.5	165.6	-75.1	164.8	0	0	0	111.4	S59 N60 S65	S59-L62 WeakPolarHBondContact O-CB 3.35Å; S59-L62 WeakPolarHBondContact O-CD1 3.29Å; S59-L62 WeakPolarHBondContact O-CG 3.23Å; S59-L62 PolarHBondContact O-N 2.97Å; N60-L62 PolarHBondContact O-N 2.66Å; N60-L62 VanDerWaalsContact O-N 3.1Å; L62-S65 WeakPolarHBondContact O-CB 3.46Å; L62-S65 PolarHBondContact O-N 3.02Å; L62-S65 PolarHBondContact O-OG 3.19Å
63	D	49.4	Very low	65.4	Low	129 Å²	129	76.4 Å²	76.4	69%	0.69	41%	0.413	S	S	*	.	H	α-helix	trans	-69.2	-41.1	173.6	-71.1	-20	0	0	0	111.9	N60 S61 S65 S66	N60-D63 WeakPolarHBondContact O-CB 3.39Å; N60-D63 PolarHBondContact O-N 3.14Å; S61-D63 PolarHBondContact O-N 3.42Å; D63-S65 PolarHBondContact O-N 3.41Å; D63-S66 VanDerWaalsContact O-CB 3.28Å; D63-S66 WeakPolarHBondContact O-CB 3.5Å; D63-S66 PolarHBondContact O-N 3.13Å; D63-S66 PolarHBondContact O-OG 2.84Å
64	K	53.4	Low	66.5	Low	130 Å²	130	76 Å²	76	57%	0.565	40%	0.403	S	S	*	.	H	α-helix	trans	-65.3	-26.7	173.8	-70.2	-176	178.9	175.9	0	112.4	S61 S66	S61-K64 CarbonylContact O-C 3.59Å; S61-K64 WeakPolarHBondContact O-CA 3.39Å; S61-K64 WeakPolarHBondContact O-CB 3.13Å; S61-K64 PolarHBondContact O-N 3.07Å; K64-S66 PolarHBondContact O-N 2.76Å
65	S	61.4	Low	67.8	Low	17 Å²	17	78.3 Å²	78.3	12%	0.119	42%	0.422	C	S	.	.	H	α-helix	trans	-68.4	-19.1	178.1	84.9	0	0	0	0	112.9	S61 L62 D63 E67 Y68	S61-S65 PolarHBondContact O-N 3.36Å; L62-S65 WeakPolarHBondContact O-CB 3.46Å; L62-S65 PolarHBondContact O-N 3.02Å; L62-S65 PolarHBondContact O-OG 3.19Å; D63-S65 PolarHBondContact O-N 3.41Å; S65-E67 VanDerWaalsContact C-N 3.28Å; S65-E67 PolarHBondContact O-N 2.87Å; S65-Y68 PolarHBondContact O-N 3.03Å
66	S	64.9	Low	69.2	Low	68 Å²	68	76.5 Å²	76.5	48%	0.476	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-61.1	-33.9	178.3	67.4	0	0	0	0	112.9	D63 K64 Y68 N69	D63-S66 VanDerWaalsContact O-CB 3.28Å; D63-S66 WeakPolarHBondContact O-CB 3.5Å; D63-S66 PolarHBondContact O-N 3.13Å; D63-S66 PolarHBondContact O-OG 2.84Å; K64-S66 PolarHBondContact O-N 2.76Å; S66-Y68 PolarHBondContact O-N 3.41Å; S66-N69 WeakPolarHBondContact O-CB 3.28Å; S66-N69 PolarHBondContact O-N 2.78Å; S66-N69 PolarHBondContact O-ND2 3.42Å; S66-N69 PolarHBondContact O-OD1 3.2Å
67	E	81.5	Confident	70.8	Confident	112 Å²	112	72.2 Å²	72.2	52%	0.523	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-59.8	-33.1	178.5	-176.4	178.5	-175.6	0	0	111.9	S65 S72 F74	S65-E67 VanDerWaalsContact C-N 3.28Å; S65-E67 PolarHBondContact O-N 2.87Å; E67-S72 VanDerWaalsContact O-CB 3.3Å; E67-S72 WeakPolarHBondContact O-CB 3.35Å; E67-S72 PolarHBondContact O-OG 2.91Å; E67-F74 WeakPolarHBondContact O-CZ 3.31Å
68	Y	87.1	Confident	72.1	Confident	3 Å²	3	71.2 Å²	71.2	1%	0.012	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-100.4	11.8	-175.7	-62.5	-64.5	0	0	0	113.7	S65 S66 F74 T99 N102 A103 D106 R108 L300	S65-Y68 PolarHBondContact O-N 3.03Å; S66-Y68 PolarHBondContact O-N 3.41Å; Y68-F74 HydrophobicContact CD1-CE1 4.25Å; Y68-F74 AromaticContact CD1-CZ 3.74Å; Y68-F74 HydrophobicContact CD1-CZ 3.74Å; Y68-F74 HydrophobicContact CE1-CE1 4.47Å; Y68-F74 HydrophobicContact CE1-CZ 4.36Å; Y68-T99 WeakPolarHBondContact O-CA 3.47Å; Y68-N102 HydrophobicContact CD1-CB 3.91Å; Y68-N102 HydrophobicContact CG-CB 4.36Å; Y68-N102 PolarHBondContact O-ND2 3.32Å; Y68-A103 HydrophobicContact CD1-CB 4.28Å; Y68-A103 HydrophobicContact CD2-CB 3.98Å; Y68-A103 HydrophobicContact CE1-CB 4.37Å; Y68-A103 HydrophobicContact CE2-CB 4.06Å; Y68-A103 HydrophobicContact CG-CB 4.09Å; Y68-D106 HydrophobicContact CE1-CB 3.72Å; Y68-D106 WeakPolarHBondContact CE1-OD2 3.35Å; Y68-D106 PolarHBondContact OH-OD2 3.22Å; Y68-R108 VanDerWaalsContact OH-CG 3.22Å; Y68-R108 WeakPolarHBondContact OH-CG 3.07Å; Y68-R108 PolarHBondContact OH-NH1 3.26Å; Y68-L300 HydrophobicContact CD2-CD2 3.88Å; Y68-L300 HydrophobicContact CE2-CD2 4.04Å
69	N	81.8	Confident	73.6	Confident	42 Å²	42	71.2 Å²	71.2	23%	0.225	40%	0.397	C	S	.	.	S	Bend	trans	-66.8	178.2	-179	77.9	8.6	0	0	0	112.5	S66 E71 S72	S66-N69 WeakPolarHBondContact O-CB 3.28Å; S66-N69 PolarHBondContact O-N 2.78Å; S66-N69 PolarHBondContact O-ND2 3.42Å; S66-N69 PolarHBondContact O-OD1 3.2Å; N69-E71 VanDerWaalsContact C-N 3.25Å; N69-E71 PolarHBondContact O-N 3.02Å; N69-E71 WeakPolarHBondContact OD1-CA 3.41Å; N69-E71 WeakPolarHBondContact OD1-CB 3.47Å; N69-E71 PolarHBondContact OD1-N 2.87Å; N69-S72 PolarHBondContact O-N 3.32Å; N69-S72 PolarHBondContact OD1-N 2.95Å; N69-S72 VanDerWaalsContact OD1-N 3.12Å; N69-S72 PolarHBondContact OD1-OG 3.02Å
70	S	69.1	Low	75.4	Confident	96 Å²	96	68.3 Å²	68.3	67%	0.671	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.4	179.9	50.1	0	0	0	0	114.6
71	E	67	Low	77.4	Confident	160 Å²	160	65.8 Å²	65.8	75%	0.748	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-23.9	180	-57.3	177.5	164.8	0	0	111.3	N69 L73	N69-E71 VanDerWaalsContact C-N 3.25Å; N69-E71 PolarHBondContact O-N 3.02Å; N69-E71 WeakPolarHBondContact OD1-CA 3.41Å; N69-E71 WeakPolarHBondContact OD1-CB 3.47Å; N69-E71 PolarHBondContact OD1-N 2.87Å; E71-L73 PolarHBondContact O-N 2.83Å
72	S	70.4	Confident	79.3	Confident	37 Å²	37	69 Å²	69	26%	0.259	37%	0.373	S	S	.	.	S	Bend	trans	-71.2	117.3	175.6	-66.5	0	0	0	0	111.9	E67 N69 F74	E67-S72 VanDerWaalsContact O-CB 3.3Å; E67-S72 WeakPolarHBondContact O-CB 3.35Å; E67-S72 PolarHBondContact O-OG 2.91Å; N69-S72 PolarHBondContact O-N 3.32Å; N69-S72 PolarHBondContact OD1-N 2.95Å; N69-S72 VanDerWaalsContact OD1-N 3.12Å; N69-S72 PolarHBondContact OD1-OG 3.02Å; S72-F74 VanDerWaalsContact O-CD2 3.3Å; S72-F74 WeakPolarHBondContact O-CD2 3.29Å; S72-F74 PolarHBondContact O-N 3.03Å
73	L	83.8	Confident	81.3	Confident	162 Å²	162	64 Å²	64	85%	0.848	35%	0.347	S	S	*	.			trans	-80.3	103.3	173.4	-82.8	153.7	0	0	0	110.4	E71	E71-L73 PolarHBondContact O-N 2.83Å
74	F	92.1	Very high	83.5	Confident	35 Å²	35	59 Å²	59	15%	0.154	32%	0.319	C	S	.	.			trans	-96.8	158.2	173.6	-64.9	-81	0	0	0	111.6	E67 Y68 S72 W76 T77 N102	E67-F74 WeakPolarHBondContact O-CZ 3.31Å; Y68-F74 HydrophobicContact CD1-CE1 4.25Å; Y68-F74 AromaticContact CD1-CZ 3.74Å; Y68-F74 HydrophobicContact CD1-CZ 3.74Å; Y68-F74 HydrophobicContact CE1-CE1 4.47Å; Y68-F74 HydrophobicContact CE1-CZ 4.36Å; S72-F74 VanDerWaalsContact O-CD2 3.3Å; S72-F74 WeakPolarHBondContact O-CD2 3.29Å; S72-F74 PolarHBondContact O-N 3.03Å; F74-W76 HydrophobicContact CB-CD2 3.76Å; F74-W76 HydrophobicContact CB-CE3 4.29Å; F74-W76 HydrophobicContact CB-CG 4.17Å; F74-W76 HydrophobicContact CB-CH2 4.19Å; F74-W76 HydrophobicContact CB-CZ2 3.64Å; F74-W76 HydrophobicContact CB-CZ3 4.47Å; F74-W76 AromaticContact CD1-CH2 3.68Å; F74-W76 HydrophobicContact CD1-CH2 3.68Å; F74-W76 AromaticContact CD1-CZ2 3.36Å; F74-W76 HydrophobicContact CD1-CZ2 3.36Å; F74-W76 HydrophobicContact CD2-CZ2 4.31Å; F74-W76 HydrophobicContact CE1-CH2 4.42Å; F74-W76 HydrophobicContact CE1-CZ2 4.07Å; F74-W76 AromaticContact CG-CE2 3.69Å; F74-W76 HydrophobicContact CG-CH2 4.18Å; F74-W76 AromaticContact CG-CZ2 3.51Å; F74-W76 HydrophobicContact CG-CZ2 3.51Å; F74-W76 AromaticContact CG-NE1 3.84Å; F74-W76 PolarHBondContact O-N 2.93Å; F74-T77 PolarHBondContact N-OG1 3.03Å; F74-T77 WeakPolarHBondContact O-CB 3.4Å; F74-T77 PolarHBondContact O-N 3.47Å; F74-T77 PolarHBondContact O-OG1 3.29Å; F74-N102 HydrophobicContact CD2-CB 4.2Å; F74-N102 HydrophobicContact CE2-CB 3.82Å; F74-N102 VanDerWaalsContact CE2-ND2 3.35Å; F74-N102 WeakPolarHBondContact CE2-ND2 3.3Å; F74-N102 HydrophobicContact CZ-CB 4.26Å
75	P	91.9	Very high	85.4	Confident	78 Å²	78	58.9 Å²	58.9	51%	0.506	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.7	176.2	-27.1	35.3	0	0	0	114.6	F135	P75-F135 HydrophobicContact CB-CB 4.13Å; P75-F135 VanDerWaalsContact O-CB 3.28Å; P75-F135 WeakPolarHBondContact O-CB 3.49Å
76	W	93.8	Very high	86.9	Confident	3 Å²	3	63.9 Å²	63.9	1%	0.011	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-2.5	-179.5	53.2	77.5	0	0	0	114.3	F74 S78 E79 V80 N102 L105 D106 F135 V137	F74-W76 HydrophobicContact CB-CD2 3.76Å; F74-W76 HydrophobicContact CB-CE3 4.29Å; F74-W76 HydrophobicContact CB-CG 4.17Å; F74-W76 HydrophobicContact CB-CH2 4.19Å; F74-W76 HydrophobicContact CB-CZ2 3.64Å; F74-W76 HydrophobicContact CB-CZ3 4.47Å; F74-W76 AromaticContact CD1-CH2 3.68Å; F74-W76 HydrophobicContact CD1-CH2 3.68Å; F74-W76 AromaticContact CD1-CZ2 3.36Å; F74-W76 HydrophobicContact CD1-CZ2 3.36Å; F74-W76 HydrophobicContact CD2-CZ2 4.31Å; F74-W76 HydrophobicContact CE1-CH2 4.42Å; F74-W76 HydrophobicContact CE1-CZ2 4.07Å; F74-W76 AromaticContact CG-CE2 3.69Å; F74-W76 HydrophobicContact CG-CH2 4.18Å; F74-W76 AromaticContact CG-CZ2 3.51Å; F74-W76 HydrophobicContact CG-CZ2 3.51Å; F74-W76 AromaticContact CG-NE1 3.84Å; F74-W76 PolarHBondContact O-N 2.93Å; W76-S78 VanDerWaalsContact C-N 3.27Å; W76-S78 PolarHBondContact O-N 2.92Å; W76-E79 PolarHBondContact O-N 3.49Å; W76-V80 HydrophobicContact CB-CG2 4.48Å; W76-V80 HydrophobicContact CG-CG2 4.45Å; W76-V80 WeakPolarHBondContact O-CG2 3.22Å; W76-V80 PolarHBondContact O-N 3.35Å; W76-N102 PolarHBondContact NE1-OD1 2.85Å; W76-L105 HydrophobicContact CB-CD1 4.35Å; W76-L105 HydrophobicContact CD2-CB 3.8Å; W76-L105 HydrophobicContact CD2-CD1 4.14Å; W76-L105 VanDerWaalsContact CE2-CB 3.49Å; W76-L105 HydrophobicContact CE3-CB 4.31Å; W76-L105 HydrophobicContact CG-CB 4.26Å; W76-L105 HydrophobicContact CG-CD1 3.7Å; W76-L105 HydrophobicContact CH2-CB 4.25Å; W76-L105 HydrophobicContact CZ2-CB 3.72Å; W76-D106 HydrophobicContact CH2-CB 3.94Å; W76-D106 HydrophobicContact CZ2-CB 4.27Å; W76-F135 HydrophobicContact CB-CD1 3.84Å; W76-F135 HydrophobicContact CB-CD2 3.79Å; W76-F135 HydrophobicContact CB-CE1 3.79Å; W76-F135 HydrophobicContact CB-CE2 3.73Å; W76-F135 HydrophobicContact CB-CG 3.84Å; W76-F135 HydrophobicContact CB-CZ 3.74Å; W76-F135 HydrophobicContact CE3-CD2 4.11Å; W76-F135 HydrophobicContact CE3-CE2 4.14Å; W76-F135 HydrophobicContact CG-CE2 4.46Å; W76-V137 HydrophobicContact CE3-CG2 3.62Å; W76-V137 HydrophobicContact CZ3-CB 4.25Å; W76-V137 HydrophobicContact CZ3-CG1 3.92Å; W76-V137 HydrophobicContact CZ3-CG2 3.44Å; W76-V137 VanDerWaalsContact CZ3-CG2 3.44Å
77	T	93.8	Very high	88.2	Confident	29 Å²	29	61.9 Å²	61.9	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-57.8	-37.8	-172.4	-67.4	0	0	0	0	112.8	F74 N81	F74-T77 PolarHBondContact N-OG1 3.03Å; F74-T77 WeakPolarHBondContact O-CB 3.4Å; F74-T77 PolarHBondContact O-N 3.47Å; F74-T77 PolarHBondContact O-OG1 3.29Å; T77-N81 WeakPolarHBondContact O-CB 3.29Å; T77-N81 PolarHBondContact O-N 3.38Å; T77-N81 VanDerWaalsContact O-N 3.08Å; T77-N81 PolarHBondContact O-ND2 3.38Å
78	S	92.8	Very high	88.7	Confident	89 Å²	89	57 Å²	57	62%	0.622	30%	0.302	S	S	*	.	H	α-helix	trans	-62.4	-47.4	175.9	52.3	0	0	0	0	111.6	W76 N81 R82	W76-S78 VanDerWaalsContact C-N 3.27Å; W76-S78 PolarHBondContact O-N 2.92Å; S78-N81 PolarHBondContact O-N 3.19Å; S78-R82 WeakPolarHBondContact O-CB 3.49Å; S78-R82 PolarHBondContact O-N 2.87Å
79	E	94.5	Very high	88.8	Confident	13 Å²	13	64.3 Å²	64.3	6%	0.061	34%	0.335	C	S	.	.	H	α-helix	trans	-70	-38.3	-177.9	-171.5	56.4	-164.8	0	0	112.2	W76 N81 R82 V83 L130 N131 F135	W76-E79 PolarHBondContact O-N 3.49Å; E79-N81 VanDerWaalsContact C-N 3.33Å; E79-N81 PolarHBondContact O-N 3.26Å; E79-R82 WeakPolarHBondContact O-CB 3.47Å; E79-R82 PolarHBondContact O-N 3.01Å; E79-R82 IonicContact OE1-CZ 2.81Å; E79-R82 IonicContact OE1-NE 2.68Å; E79-R82 PolarHBondContact OE1-NE 3.18Å; E79-R82 IonicContact OE1-NH2 3.37Å; E79-R82 PolarHBondContact OE1-NH2 2.79Å; E79-R82 IonicContact OE2-CZ 3.98Å; E79-R82 IonicContact OE2-NE 3.87Å; E79-R82 PolarHBondContact OE2-NE 3.36Å; E79-R82 IonicContact OE2-NH2 3.82Å; E79-V83 WeakPolarHBondContact O-CG2 3.32Å; E79-V83 PolarHBondContact O-N 2.92Å; E79-L130 HydrophobicContact CB-CD2 4.27Å; E79-L130 HydrophobicContact CG-CB 3.84Å; E79-L130 HydrophobicContact CG-CD2 3.73Å; E79-L130 HydrophobicContact CG-CG 4.31Å; E79-N131 HydrophobicContact CG-CB 4.46Å; E79-N131 VanDerWaalsContact OE1-CB 3.26Å; E79-N131 WeakPolarHBondContact OE1-CB 3.24Å; E79-N131 PolarHBondContact OE1-N 3.09Å; E79-F135 HydrophobicContact CB-CD1 4.42Å; E79-F135 HydrophobicContact CB-CE1 4.45Å; E79-F135 HydrophobicContact CG-CE1 4.37Å
80	V	95.1	Very high	89.1	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-45.7	172.3	166.2	0	0	0	0	110.8	W76 R84 F93 I98 I101 L105 L126 L130	W76-V80 HydrophobicContact CB-CG2 4.48Å; W76-V80 HydrophobicContact CG-CG2 4.45Å; W76-V80 WeakPolarHBondContact O-CG2 3.22Å; W76-V80 PolarHBondContact O-N 3.35Å; V80-R84 WeakPolarHBondContact O-CB 3.35Å; V80-R84 PolarHBondContact O-N 2.99Å; V80-F93 HydrophobicContact CG1-CE2 3.9Å; V80-F93 HydrophobicContact CG1-CZ 3.61Å; V80-I98 HydrophobicContact CG1-CD1 3.97Å; V80-I101 HydrophobicContact CG1-CG2 4.35Å; V80-I101 HydrophobicContact CG2-CG2 4.12Å; V80-L105 HydrophobicContact CG2-CD1 3.76Å; V80-L126 HydrophobicContact CB-CD2 4.29Å; V80-L126 HydrophobicContact CG1-CD2 3.98Å; V80-L126 HydrophobicContact CG2-CD2 4.04Å; V80-L130 HydrophobicContact CB-CD2 4.49Å; V80-L130 HydrophobicContact CG2-CD1 4.12Å; V80-L130 HydrophobicContact CG2-CD2 3.94Å
81	N	94.4	Very high	89.9	Confident	55 Å²	55	65 Å²	65	29%	0.294	34%	0.34	S	S	.	.	H	α-helix	trans	-68.2	-35.5	177.6	-81.7	-52.4	0	0	0	113.1	T77 S78 E79 R84 K85	T77-N81 WeakPolarHBondContact O-CB 3.29Å; T77-N81 PolarHBondContact O-N 3.38Å; T77-N81 VanDerWaalsContact O-N 3.08Å; T77-N81 PolarHBondContact O-ND2 3.38Å; S78-N81 PolarHBondContact O-N 3.19Å; E79-N81 VanDerWaalsContact C-N 3.33Å; E79-N81 PolarHBondContact O-N 3.26Å; N81-R84 PolarHBondContact OD1-NE 2.96Å; N81-R84 PolarHBondContact OD1-NH2 3.44Å; N81-K85 WeakPolarHBondContact O-CB 3.36Å; N81-K85 WeakPolarHBondContact O-CG 3.38Å; N81-K85 PolarHBondContact O-N 3.19Å
82	R	94.9	Very high	90.9	Very high	84 Å²	84	64.4 Å²	64.4	32%	0.317	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-56.2	174.9	-167.8	-167.8	67	73.7	-0.1	110.6	S78 E79 R84 K85 E86	S78-R82 WeakPolarHBondContact O-CB 3.49Å; S78-R82 PolarHBondContact O-N 2.87Å; E79-R82 WeakPolarHBondContact O-CB 3.47Å; E79-R82 PolarHBondContact O-N 3.01Å; E79-R82 IonicContact OE1-CZ 2.81Å; E79-R82 IonicContact OE1-NE 2.68Å; E79-R82 PolarHBondContact OE1-NE 3.18Å; E79-R82 IonicContact OE1-NH2 3.37Å; E79-R82 PolarHBondContact OE1-NH2 2.79Å; E79-R82 IonicContact OE2-CZ 3.98Å; E79-R82 IonicContact OE2-NE 3.87Å; E79-R82 PolarHBondContact OE2-NE 3.36Å; E79-R82 IonicContact OE2-NH2 3.82Å; R82-R84 VanDerWaalsContact C-N 3.3Å; R82-R84 PolarHBondContact O-N 2.64Å; R82-K85 PolarHBondContact O-N 2.88Å; R82-E86 HydrophobicContact CG-CG 4.23Å; R82-E86 VanDerWaalsContact CG-OE1 3.29Å; R82-E86 WeakPolarHBondContact CG-OE1 3.33Å; R82-E86 WeakPolarHBondContact CG-OE2 3.48Å; R82-E86 IonicContact CZ-OE2 3.32Å; R82-E86 IonicContact NH1-OE2 3.88Å; R82-E86 PolarHBondContact NH1-OE2 3.47Å; R82-E86 VanDerWaalsContact O-CB 3.32Å; R82-E86 WeakPolarHBondContact O-CB 3.37Å; R82-E86 PolarHBondContact O-N 3.18Å
83	V	94.6	Very high	91.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.332	C	S	.	.	I	π-helix	trans	-61.6	-39.1	179.6	174.6	0	0	0	0	111.5	E79 K85 V87 F88 L126 L129 L130	E79-V83 WeakPolarHBondContact O-CG2 3.32Å; E79-V83 PolarHBondContact O-N 2.92Å; V83-K85 PolarHBondContact O-N 3.45Å; V83-V87 HydrophobicContact CG1-CB 4.1Å; V83-V87 HydrophobicContact CG1-CG2 4.15Å; V83-V87 WeakPolarHBondContact O-CA 3.38Å; V83-V87 VanDerWaalsContact O-CB 3.29Å; V83-V87 WeakPolarHBondContact O-CB 3.47Å; V83-V87 PolarHBondContact O-N 2.76Å; V83-F88 HydrophobicContact CG1-CD2 3.85Å; V83-F88 HydrophobicContact CG1-CE2 3.75Å; V83-F88 PolarHBondContact O-N 3.21Å; V83-L126 HydrophobicContact CB-CG 4.37Å; V83-L126 HydrophobicContact CG1-CD1 4.48Å; V83-L126 HydrophobicContact CG1-CG 3.89Å; V83-L129 HydrophobicContact CG1-CB 4.02Å; V83-L130 HydrophobicContact CB-CD2 4.21Å; V83-L130 HydrophobicContact CG2-CD2 3.89Å
84	R	94.7	Very high	92	Very high	25 Å²	25	61 Å²	61	9%	0.094	31%	0.308	C	S	.	.	I	π-helix	trans	-55.7	-49.3	174.2	-179.1	-177.2	63.3	93.1	-21.7	112.8	V80 N81 R82 F88 Q89 I90 S91 F93 L126	V80-R84 WeakPolarHBondContact O-CB 3.35Å; V80-R84 PolarHBondContact O-N 2.99Å; N81-R84 PolarHBondContact OD1-NE 2.96Å; N81-R84 PolarHBondContact OD1-NH2 3.44Å; R82-R84 VanDerWaalsContact C-N 3.3Å; R82-R84 PolarHBondContact O-N 2.64Å; R84-F88 CarbonylContact O-C 3.46Å; R84-Q89 PolarHBondContact O-N 3.31Å; R84-I90 HydrophobicContact CG-CD1 3.85Å; R84-I90 HydrophobicContact CG-CG1 3.34Å; R84-I90 PolarHBondContact NH1-O 3.28Å; R84-I90 PolarHBondContact O-N 2.87Å; R84-I90 VanDerWaalsContact O-N 3.15Å; R84-S91 PolarHBondContact NH1-O 3.34Å; R84-F93 HydrophobicContact CB-CZ 4.09Å; R84-F93 VanDerWaalsContact CD-CE2 3.42Å; R84-F93 HydrophobicContact CG-CE1 4.25Å; R84-F93 HydrophobicContact CG-CE2 4.41Å; R84-F93 HydrophobicContact CG-CZ 4.04Å; R84-L126 HydrophobicContact CB-CD1 4.12Å
85	K	93.3	Very high	91.6	Very high	128 Å²	128	64.1 Å²	64.1	56%	0.557	33%	0.332	S	S	*	.	I	π-helix	trans	-81.5	-47.4	-174.5	-70.7	178.9	179.1	-177.9	0	112.4	N81 R82 V83 Q89	N81-K85 WeakPolarHBondContact O-CB 3.36Å; N81-K85 WeakPolarHBondContact O-CG 3.38Å; N81-K85 PolarHBondContact O-N 3.19Å; R82-K85 PolarHBondContact O-N 2.88Å; V83-K85 PolarHBondContact O-N 3.45Å; K85-Q89 WeakPolarHBondContact O-CA 3.47Å; K85-Q89 PolarHBondContact O-N 3.06Å
86	E	93.1	Very high	91.4	Very high	122 Å²	122	61.6 Å²	61.6	57%	0.57	31%	0.314	S	S	*	.	I	π-helix	trans	-83.4	-39.5	-171	-65	175.5	-171.3	0	0	112.5	R82	R82-E86 HydrophobicContact CG-CG 4.23Å; R82-E86 VanDerWaalsContact CG-OE1 3.29Å; R82-E86 WeakPolarHBondContact CG-OE1 3.33Å; R82-E86 WeakPolarHBondContact CG-OE2 3.48Å; R82-E86 IonicContact CZ-OE2 3.32Å; R82-E86 IonicContact NH1-OE2 3.88Å; R82-E86 PolarHBondContact NH1-OE2 3.47Å; R82-E86 VanDerWaalsContact O-CB 3.32Å; R82-E86 WeakPolarHBondContact O-CB 3.37Å; R82-E86 PolarHBondContact O-N 3.18Å
87	V	92.4	Very high	91.4	Very high	25 Å²	25	61.7 Å²	61.7	15%	0.152	31%	0.314	C	S	.	.	I	π-helix	trans	-92.2	-63.6	-177.7	-174.8	0	0	0	0	109.8	V83 Q89 L129 Y166 L168	V83-V87 HydrophobicContact CG1-CB 4.1Å; V83-V87 HydrophobicContact CG1-CG2 4.15Å; V83-V87 WeakPolarHBondContact O-CA 3.38Å; V83-V87 VanDerWaalsContact O-CB 3.29Å; V83-V87 WeakPolarHBondContact O-CB 3.47Å; V83-V87 PolarHBondContact O-N 2.76Å; V87-Q89 VanDerWaalsContact C-N 3.31Å; V87-Q89 PolarHBondContact O-N 3.34Å; V87-L129 HydrophobicContact CG1-CD1 4.1Å; V87-Y166 HydrophobicContact CG1-CG 4.27Å; V87-Y166 WeakPolarHBondContact O-CD1 3.34Å; V87-Y166 WeakPolarHBondContact O-CE1 3.3Å; V87-L168 HydrophobicContact CG1-CD2 4Å
88	F	91.3	Very high	91.4	Very high	11 Å²	11	61.5 Å²	61.5	5%	0.048	31%	0.312	C	S	.	.	S	Bend	trans	-77.1	-16.4	-175	-71.6	-82	0	0	0	114.2	V83 R84 I90 L122 Q125 L126 L129 L163 Y166	V83-F88 HydrophobicContact CG1-CD2 3.85Å; V83-F88 HydrophobicContact CG1-CE2 3.75Å; V83-F88 PolarHBondContact O-N 3.21Å; R84-F88 CarbonylContact O-C 3.46Å; F88-I90 HydrophobicContact CB-CD1 4.43Å; F88-I90 HydrophobicContact CB-CG1 4.3Å; F88-I90 HydrophobicContact CB-CG2 4.41Å; F88-I90 PolarHBondContact O-N 3Å; F88-L122 HydrophobicContact CB-CD1 4.3Å; F88-L122 HydrophobicContact CD1-CD1 3.49Å; F88-L122 VanDerWaalsContact CD1-CD1 3.49Å; F88-L122 HydrophobicContact CD2-CD1 3.84Å; F88-L122 HydrophobicContact CE1-CD1 3.64Å; F88-L122 HydrophobicContact CE2-CD1 4Å; F88-L122 HydrophobicContact CG-CD1 3.59Å; F88-L122 HydrophobicContact CZ-CD1 3.9Å; F88-Q125 HydrophobicContact CE1-CB 4.36Å; F88-Q125 HydrophobicContact CZ-CB 3.9Å; F88-L126 HydrophobicContact CD2-CB 4.4Å; F88-L126 HydrophobicContact CD2-CD1 4.32Å; F88-L126 HydrophobicContact CD2-CG 4.45Å; F88-L126 HydrophobicContact CE2-CB 3.84Å; F88-L126 HydrophobicContact CE2-CG 4.23Å; F88-L126 HydrophobicContact CZ-CB 4.44Å; F88-L129 HydrophobicContact CE2-CD1 3.9Å; F88-L129 HydrophobicContact CZ-CD1 3.81Å; F88-L163 HydrophobicContact CE1-CD2 4.02Å; F88-L163 HydrophobicContact CZ-CD2 4.31Å; F88-Y166 AromaticContact CD1-CE2 3.83Å; F88-Y166 HydrophobicContact CD1-CE2 3.83Å; F88-Y166 AromaticContact CD1-CZ 3.94Å; F88-Y166 HydrophobicContact CE1-CE2 4.06Å
89	Q	90.1	Very high	91.4	Very high	155 Å²	155	57.8 Å²	57.8	72%	0.724	29%	0.286	S	S	*	.			trans	55.1	36.5	178.8	-58.6	176.7	-1.7	0	0	113.4	R84 K85 V87	R84-Q89 PolarHBondContact O-N 3.31Å; K85-Q89 WeakPolarHBondContact O-CA 3.47Å; K85-Q89 PolarHBondContact O-N 3.06Å; V87-Q89 VanDerWaalsContact C-N 3.31Å; V87-Q89 PolarHBondContact O-N 3.34Å
90	I	88	Confident	91.4	Very high	50 Å²	50	57.2 Å²	57.2	26%	0.256	28%	0.283	S	S	.	.			trans	-102.2	134.7	177	63.8	-178.3	0	0	0	111	R84 F88 F93 L122	R84-I90 HydrophobicContact CG-CD1 3.85Å; R84-I90 HydrophobicContact CG-CG1 3.34Å; R84-I90 PolarHBondContact NH1-O 3.28Å; R84-I90 PolarHBondContact O-N 2.87Å; R84-I90 VanDerWaalsContact O-N 3.15Å; F88-I90 HydrophobicContact CB-CD1 4.43Å; F88-I90 HydrophobicContact CB-CG1 4.3Å; F88-I90 HydrophobicContact CB-CG2 4.41Å; F88-I90 PolarHBondContact O-N 3Å; I90-F93 HydrophobicContact CD1-CD1 4.47Å; I90-L122 HydrophobicContact CD1-CD1 4.28Å; I90-L122 HydrophobicContact CD1-CD2 3.36Å; I90-L122 HydrophobicContact CD1-CG 4.47Å
91	S	86.3	Confident	91.4	Very high	104 Å²	104	57.1 Å²	57.1	73%	0.727	28%	0.283	S	S	*	.	S	Bend	trans	-71.7	-32.4	-175.2	52.2	0	0	0	0	113.8	R84	R84-S91 PolarHBondContact NH1-O 3.34Å
92	E	88.6	Confident	91.4	Very high	146 Å²	146	54.6 Å²	54.6	68%	0.682	27%	0.269	S	S	*	.	S	Bend	trans	-153.1	160.8	-179.5	63	-174	176.6	0	0	111
93	F	89.4	Confident	91.3	Very high	37 Å²	37	50.6 Å²	50.6	16%	0.162	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-80.9	139	171.3	-73.9	-66.4	0	0	0	110	V80 R84 I90 Q97 I98 I101 L122 L126	V80-F93 HydrophobicContact CG1-CE2 3.9Å; V80-F93 HydrophobicContact CG1-CZ 3.61Å; R84-F93 HydrophobicContact CB-CZ 4.09Å; R84-F93 VanDerWaalsContact CD-CE2 3.42Å; R84-F93 HydrophobicContact CG-CE1 4.25Å; R84-F93 HydrophobicContact CG-CE2 4.41Å; R84-F93 HydrophobicContact CG-CZ 4.04Å; I90-F93 HydrophobicContact CD1-CD1 4.47Å; F93-Q97 HydrophobicContact CB-CB 4.24Å; F93-Q97 HydrophobicContact CD1-CB 4.02Å; F93-Q97 HydrophobicContact CG-CB 4.5Å; F93-I98 HydrophobicContact CB-CB 4.26Å; F93-I98 HydrophobicContact CD2-CB 3.79Å; F93-I98 HydrophobicContact CD2-CD1 4.11Å; F93-I98 HydrophobicContact CD2-CG1 4.15Å; F93-I98 HydrophobicContact CE2-CB 4.27Å; F93-I98 HydrophobicContact CE2-CD1 3.72Å; F93-I98 HydrophobicContact CE2-CG1 4.26Å; F93-I98 HydrophobicContact CG-CB 4.04Å; F93-I98 HydrophobicContact CZ-CD1 4.27Å; F93-I101 HydrophobicContact CD1-CD1 4.31Å; F93-I101 HydrophobicContact CE1-CD1 3.66Å; F93-I101 HydrophobicContact CZ-CD1 4.12Å; F93-L122 HydrophobicContact CD1-CD2 4.07Å; F93-L122 HydrophobicContact CE1-CD2 4.05Å; F93-L126 HydrophobicContact CE1-CD1 3.8Å; F93-L126 HydrophobicContact CZ-CD1 3.85Å
94	R	86.9	Confident	91.3	Very high	90 Å²	90	50.8 Å²	50.8	34%	0.34	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-67.7	159.4	166.8	-66.1	177.4	175.1	155.7	0.8	109.9	L96 Q97 G117 A118	R94-L96 PolarHBondContact O-N 3.45Å; R94-Q97 HydrophobicContact CB-CG 4.1Å; R94-Q97 WeakPolarHBondContact O-CB 3.19Å; R94-Q97 PolarHBondContact O-N 2.93Å; R94-Q97 VanDerWaalsContact O-N 3.14Å; R94-G117 PolarHBondContact NH1-O 3.36Å; R94-A118 VanDerWaalsContact CD-O 3.31Å; R94-A118 WeakPolarHBondContact CD-O 3.34Å
95	P	84	Confident	91.3	Very high	102 Å²	102	50 Å²	50	66%	0.662	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	140.3	-180	-29.9	35.9	0	0	0	112.3	Q97 M114	P95-Q97 PolarHBondContact O-N 3.47Å; P95-M114 WeakPolarHBondContact O-CE 3.24Å
96	L	87.9	Confident	91.2	Very high	24 Å²	24	46.3 Å²	46.3	13%	0.126	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-8.4	-178.6	-61.2	179.9	0	0	0	117.5	R94 T99 A100 L112 M114 L302 T304	R94-L96 PolarHBondContact O-N 3.45Å; L96-T99 HydrophobicContact CD2-CG2 4.42Å; L96-T99 PolarHBondContact O-N 3.42Å; L96-A100 WeakPolarHBondContact O-CB 3.45Å; L96-A100 PolarHBondContact O-N 3.34Å; L96-L112 HydrophobicContact CB-CD1 4.49Å; L96-M114 HydrophobicContact CB-CE 3.39Å; L96-L302 HydrophobicContact CD1-CB 4.17Å; L96-L302 HydrophobicContact CD2-CD2 4.34Å; L96-T304 HydrophobicContact CB-CG2 4.47Å; L96-T304 HydrophobicContact CD1-CG2 3.46Å; L96-T304 VanDerWaalsContact CD1-CG2 3.46Å; L96-T304 HydrophobicContact CG-CG2 4Å
97	Q	92.5	Very high	91.2	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.023	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-50.6	178.6	-71.8	-174.7	-40.6	0	0	111.4	F93 R94 P95 T99 A100 I101 M114 A118 G119 V123	F93-Q97 HydrophobicContact CB-CB 4.24Å; F93-Q97 HydrophobicContact CD1-CB 4.02Å; F93-Q97 HydrophobicContact CG-CB 4.5Å; R94-Q97 HydrophobicContact CB-CG 4.1Å; R94-Q97 WeakPolarHBondContact O-CB 3.19Å; R94-Q97 PolarHBondContact O-N 2.93Å; R94-Q97 VanDerWaalsContact O-N 3.14Å; P95-Q97 PolarHBondContact O-N 3.47Å; Q97-T99 VanDerWaalsContact C-N 3.35Å; Q97-T99 PolarHBondContact O-N 2.86Å; Q97-A100 PolarHBondContact O-N 3.38Å; Q97-I101 WeakPolarHBondContact O-CB 3.27Å; Q97-I101 WeakPolarHBondContact O-CD1 3.48Å; Q97-I101 VanDerWaalsContact O-CG1 3.22Å; Q97-I101 WeakPolarHBondContact O-CG1 3.34Å; Q97-I101 PolarHBondContact O-N 3.46Å; Q97-M114 HydrophobicContact CG-CE 4.11Å; Q97-A118 PolarHBondContact NE2-O 2.9Å; Q97-G119 PolarHBondContact NE2-O 3.45Å; Q97-V123 HydrophobicContact CB-CG2 4.31Å; Q97-V123 HydrophobicContact CG-CG2 4.27Å
98	I	94	Very high	91.2	Very high	25 Å²	25	44.1 Å²	44.1	13%	0.128	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-39.9	179.3	-173	52.3	0	0	0	111.7	V80 F93 A100 I101 N102	V80-I98 HydrophobicContact CG1-CD1 3.97Å; F93-I98 HydrophobicContact CB-CB 4.26Å; F93-I98 HydrophobicContact CD2-CB 3.79Å; F93-I98 HydrophobicContact CD2-CD1 4.11Å; F93-I98 HydrophobicContact CD2-CG1 4.15Å; F93-I98 HydrophobicContact CE2-CB 4.27Å; F93-I98 HydrophobicContact CE2-CD1 3.72Å; F93-I98 HydrophobicContact CE2-CG1 4.26Å; F93-I98 HydrophobicContact CG-CB 4.04Å; F93-I98 HydrophobicContact CZ-CD1 4.27Å; I98-A100 PolarHBondContact O-N 3.46Å; I98-I101 PolarHBondContact O-N 2.89Å; I98-N102 WeakPolarHBondContact O-CB 3.46Å; I98-N102 PolarHBondContact O-N 2.81Å; I98-N102 PolarHBondContact O-ND2 2.73Å
99	T	93.1	Very high	91.4	Very high	12 Å²	12	44.6 Å²	44.6	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-48.7	175	-49.6	0	0	0	0	111.4	Y68 L96 Q97 A103 L302	Y68-T99 WeakPolarHBondContact O-CA 3.47Å; L96-T99 HydrophobicContact CD2-CG2 4.42Å; L96-T99 PolarHBondContact O-N 3.42Å; Q97-T99 VanDerWaalsContact C-N 3.35Å; Q97-T99 PolarHBondContact O-N 2.86Å; T99-A103 WeakPolarHBondContact O-CB 3.41Å; T99-A103 PolarHBondContact O-N 2.87Å; T99-L302 HydrophobicContact CG2-CD1 3.83Å; T99-L302 HydrophobicContact CG2-CD2 3.95Å
100	A	94.1	Very high	91.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-40.1	179.1	0	0	0	0	0	112.1	L96 Q97 I98 A103 V104 L112 V123 L302	L96-A100 WeakPolarHBondContact O-CB 3.45Å; L96-A100 PolarHBondContact O-N 3.34Å; Q97-A100 PolarHBondContact O-N 3.38Å; I98-A100 PolarHBondContact O-N 3.46Å; A100-A103 PolarHBondContact O-N 3.29Å; A100-V104 WeakPolarHBondContact O-CB 3.47Å; A100-V104 VanDerWaalsContact O-CG2 3.29Å; A100-V104 WeakPolarHBondContact O-CG2 3.48Å; A100-V104 PolarHBondContact O-N 2.88Å; A100-L112 HydrophobicContact CB-CD1 4.23Å; A100-L112 HydrophobicContact CB-CD2 3.94Å; A100-V123 HydrophobicContact CB-CG1 3.42Å; A100-V123 VanDerWaalsContact CB-CG1 3.42Å; A100-V123 HydrophobicContact CB-CG2 4.27Å; A100-L302 HydrophobicContact CB-CD1 3.76Å
101	I	95.6	Very high	91.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-50.2	175.3	-74.4	163.7	0	0	0	110.5	V80 F93 Q97 I98 V104 L105 V123 L126 P127	V80-I101 HydrophobicContact CG1-CG2 4.35Å; V80-I101 HydrophobicContact CG2-CG2 4.12Å; F93-I101 HydrophobicContact CD1-CD1 4.31Å; F93-I101 HydrophobicContact CE1-CD1 3.66Å; F93-I101 HydrophobicContact CZ-CD1 4.12Å; Q97-I101 WeakPolarHBondContact O-CB 3.27Å; Q97-I101 WeakPolarHBondContact O-CD1 3.48Å; Q97-I101 VanDerWaalsContact O-CG1 3.22Å; Q97-I101 WeakPolarHBondContact O-CG1 3.34Å; Q97-I101 PolarHBondContact O-N 3.46Å; I98-I101 PolarHBondContact O-N 2.89Å; I101-V104 PolarHBondContact O-N 3.22Å; I101-L105 HydrophobicContact CG2-CD1 3.66Å; I101-L105 HydrophobicContact CG2-CG 4.47Å; I101-L105 WeakPolarHBondContact O-CB 3.36Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.42Å; I101-L105 PolarHBondContact O-N 3.03Å; I101-V123 HydrophobicContact CG1-CB 4.44Å; I101-V123 HydrophobicContact CG1-CG1 4.22Å; I101-L126 HydrophobicContact CD1-CB 4.47Å; I101-L126 HydrophobicContact CD1-CD1 4.39Å; I101-L126 HydrophobicContact CD1-CD2 4.31Å; I101-L126 HydrophobicContact CG2-CD2 4.3Å; I101-P127 HydrophobicContact CG1-CG 4.26Å; I101-P127 HydrophobicContact CG2-CG 4.19Å
102	N	95.2	Very high	92.2	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-45	-179.7	-75.6	-22.7	0	0	0	111.4	Y68 F74 W76 I98 V104 L105 D106	Y68-N102 HydrophobicContact CD1-CB 3.91Å; Y68-N102 HydrophobicContact CG-CB 4.36Å; Y68-N102 PolarHBondContact O-ND2 3.32Å; F74-N102 HydrophobicContact CD2-CB 4.2Å; F74-N102 HydrophobicContact CE2-CB 3.82Å; F74-N102 VanDerWaalsContact CE2-ND2 3.35Å; F74-N102 WeakPolarHBondContact CE2-ND2 3.3Å; F74-N102 HydrophobicContact CZ-CB 4.26Å; W76-N102 PolarHBondContact NE1-OD1 2.85Å; I98-N102 WeakPolarHBondContact O-CB 3.46Å; I98-N102 PolarHBondContact O-N 2.81Å; I98-N102 PolarHBondContact O-ND2 2.73Å; N102-V104 PolarHBondContact O-N 2.9Å; N102-L105 CarbonylContact O-C 3.57Å; N102-L105 PolarHBondContact O-N 3.37Å; N102-D106 VanDerWaalsContact O-CB 3.29Å; N102-D106 WeakPolarHBondContact O-CB 3.29Å; N102-D106 PolarHBondContact O-N 3.25Å
103	A	93.2	Very high	92.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-43.1	177.3	0	0	0	0	0	112.4	Y68 T99 A100 D106 G107 R108 V110 L300	Y68-A103 HydrophobicContact CD1-CB 4.28Å; Y68-A103 HydrophobicContact CD2-CB 3.98Å; Y68-A103 HydrophobicContact CE1-CB 4.37Å; Y68-A103 HydrophobicContact CE2-CB 4.06Å; Y68-A103 HydrophobicContact CG-CB 4.09Å; T99-A103 WeakPolarHBondContact O-CB 3.41Å; T99-A103 PolarHBondContact O-N 2.87Å; A100-A103 PolarHBondContact O-N 3.29Å; A103-D106 PolarHBondContact O-N 3.21Å; A103-G107 PolarHBondContact O-N 3.09Å; A103-R108 HydrophobicContact CB-CB 4.27Å; A103-R108 WeakPolarHBondContact O-CB 3.49Å; A103-R108 PolarHBondContact O-N 3.21Å; A103-V110 HydrophobicContact CB-CG2 3.78Å; A103-L300 HydrophobicContact CB-CD2 3.66Å
104	V	94.5	Very high	92.1	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.024	12%	0.116	C	C	.	.	H	α-helix	trans	-64.8	-42.9	176.2	169.9	0	0	0	0	111.3	A100 I101 N102 D106 G107 V110 R142 C238 P272 I274	A100-V104 WeakPolarHBondContact O-CB 3.47Å; A100-V104 VanDerWaalsContact O-CG2 3.29Å; A100-V104 WeakPolarHBondContact O-CG2 3.48Å; A100-V104 PolarHBondContact O-N 2.88Å; I101-V104 PolarHBondContact O-N 3.22Å; N102-V104 PolarHBondContact O-N 2.9Å; V104-D106 VanDerWaalsContact C-N 3.27Å; V104-D106 PolarHBondContact O-N 3.39Å; V104-G107 WeakPolarHBondContact O-CA 3.43Å; V104-G107 PolarHBondContact O-N 3.23Å; V104-V110 HydrophobicContact CG2-CB 4.44Å; V104-V110 HydrophobicContact CG2-CG2 3.99Å; V104-R142 PolarHBondContact O-NH1 2.72Å; V104-R142 PolarHBondContact O-NH2 3.26Å; V104-R142 VanDerWaalsContact O-NH2 3.07Å; V104-C238 HydrophobicContact CG1-CB 4.21Å; V104-P272 HydrophobicContact CG1-CG 4.48Å; V104-I274 HydrophobicContact CG2-CB 4.03Å; V104-I274 HydrophobicContact CG2-CD1 3.87Å; V104-I274 HydrophobicContact CG2-CG1 4.43Å; V104-I274 HydrophobicContact CG2-CG2 4.44Å
105	L	94.2	Very high	91.7	Very high	9 Å²	9	17.5 Å²	17.5	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-69.1	-23.1	177.3	-71.9	171.5	0	0	0	113.5	W76 V80 I101 N102 P127 L130 F135 R142	W76-L105 HydrophobicContact CB-CD1 4.35Å; W76-L105 HydrophobicContact CD2-CB 3.8Å; W76-L105 HydrophobicContact CD2-CD1 4.14Å; W76-L105 VanDerWaalsContact CE2-CB 3.49Å; W76-L105 HydrophobicContact CE3-CB 4.31Å; W76-L105 HydrophobicContact CG-CB 4.26Å; W76-L105 HydrophobicContact CG-CD1 3.7Å; W76-L105 HydrophobicContact CH2-CB 4.25Å; W76-L105 HydrophobicContact CZ2-CB 3.72Å; V80-L105 HydrophobicContact CG2-CD1 3.76Å; I101-L105 HydrophobicContact CG2-CD1 3.66Å; I101-L105 HydrophobicContact CG2-CG 4.47Å; I101-L105 WeakPolarHBondContact O-CB 3.36Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.42Å; I101-L105 PolarHBondContact O-N 3.03Å; N102-L105 CarbonylContact O-C 3.57Å; N102-L105 PolarHBondContact O-N 3.37Å; L105-P127 HydrophobicContact CD2-CB 4.11Å; L105-P127 HydrophobicContact CG-CB 4.47Å; L105-L130 HydrophobicContact CD1-CD1 3.78Å; L105-L130 HydrophobicContact CD2-CD1 3.73Å; L105-L130 HydrophobicContact CG-CD1 4.42Å; L105-F135 HydrophobicContact CD2-CZ 4.47Å; L105-R142 PolarHBondContact O-NE 3.01Å; L105-R142 VanDerWaalsContact O-NE 3.14Å; L105-R142 PolarHBondContact O-NH2 3.44Å
106	D	91.9	Very high	91.3	Very high	49 Å²	49	13.1 Å²	13.1	26%	0.262	8%	0.075	S	C	.	.	H	α-helix	trans	-81.9	-18.2	169.7	-170.9	41.4	0	0	0	112.7	Y68 W76 N102 A103 V104 R142	Y68-D106 HydrophobicContact CE1-CB 3.72Å; Y68-D106 WeakPolarHBondContact CE1-OD2 3.35Å; Y68-D106 PolarHBondContact OH-OD2 3.22Å; W76-D106 HydrophobicContact CH2-CB 3.94Å; W76-D106 HydrophobicContact CZ2-CB 4.27Å; N102-D106 VanDerWaalsContact O-CB 3.29Å; N102-D106 WeakPolarHBondContact O-CB 3.29Å; N102-D106 PolarHBondContact O-N 3.25Å; A103-D106 PolarHBondContact O-N 3.21Å; V104-D106 VanDerWaalsContact C-N 3.27Å; V104-D106 PolarHBondContact O-N 3.39Å; D106-R142 VanDerWaalsContact C-NH2 3.25Å
107	G	91.6	Very high	90.6	Very high	35 Å²	35	12.5 Å²	12.5	36%	0.361	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	20.5	170.2	0	0	0	0	0	113.4	A103 V104	A103-G107 PolarHBondContact O-N 3.09Å; V104-G107 WeakPolarHBondContact O-CA 3.43Å; V104-G107 PolarHBondContact O-N 3.23Å
108	R	92.2	Very high	89.9	Confident	66 Å²	66	12.9 Å²	12.9	25%	0.249	8%	0.078	C	C	.	.			trans	-82	145.6	175.4	-56.7	-65.1	-65.3	-79	-4.4	110.7	Y68 A103 V110 P272 K298	Y68-R108 VanDerWaalsContact OH-CG 3.22Å; Y68-R108 WeakPolarHBondContact OH-CG 3.07Å; Y68-R108 PolarHBondContact OH-NH1 3.26Å; A103-R108 HydrophobicContact CB-CB 4.27Å; A103-R108 WeakPolarHBondContact O-CB 3.49Å; A103-R108 PolarHBondContact O-N 3.21Å; R108-V110 HydrophobicContact CB-CG2 4.46Å; R108-P272 WeakPolarHBondContact O-CB 3.38Å; R108-K298 PolarHBondContact NE-O 3.21Å; R108-K298 PolarHBondContact NH2-O 2.81Å
109	D	95.2	Very high	89.4	Confident	22 Å²	22	12.8 Å²	12.8	12%	0.118	8%	0.083	C	C	.	.			trans	-73.1	137.8	161	-65.2	-34.7	0	0	0	109.1	R265 P272 I273 L294 C299 L300	D109-R265 IonicContact OD1-CZ 3.59Å; D109-R265 IonicContact OD1-NH1 3.74Å; D109-R265 IonicContact OD1-NH2 2.68Å; D109-R265 PolarHBondContact OD1-NH2 3.5Å; D109-R265 IonicContact OD2-CZ 3.48Å; D109-R265 IonicContact OD2-NH1 3.87Å; D109-R265 IonicContact OD2-NH2 2.97Å; D109-R265 PolarHBondContact OD2-NH2 3.01Å; D109-P272 WeakPolarHBondContact OD1-CA 3.44Å; D109-I273 VanDerWaalsContact CA-O 3.3Å; D109-I273 WeakPolarHBondContact CA-O 3.46Å; D109-I273 PolarHBondContact OD1-N 3.36Å; D109-L294 HydrophobicContact CB-CD2 4.24Å; D109-C299 HydrophobicContact CB-CB 4.42Å; D109-L300 PolarHBondContact O-N 3.3Å
110	V	95.1	Very high	89.2	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.8	-174.9	-179.6	0	0	0	0	110	A103 V104 R108 L112 I273 I274 G275 L300 L302	A103-V110 HydrophobicContact CB-CG2 3.78Å; V104-V110 HydrophobicContact CG2-CB 4.44Å; V104-V110 HydrophobicContact CG2-CG2 3.99Å; R108-V110 HydrophobicContact CB-CG2 4.46Å; V110-L112 HydrophobicContact CG1-CB 4.31Å; V110-I273 PolarHBondContact N-O 3.2Å; V110-I274 HydrophobicContact CB-CB 4.4Å; V110-I274 HydrophobicContact CB-CD1 4.28Å; V110-I274 HydrophobicContact CB-CG1 4.02Å; V110-I274 HydrophobicContact CG1-CD1 4.24Å; V110-I274 HydrophobicContact CG1-CG1 4.27Å; V110-I274 CarbonylContact O-C 3.51Å; V110-I274 VanDerWaalsContact O-CA 3.24Å; V110-I274 WeakPolarHBondContact O-CA 3.18Å; V110-G275 PolarHBondContact O-N 3Å; V110-L300 CarbonylContact C-O 3.51Å; V110-L300 VanDerWaalsContact CA-O 3.27Å; V110-L300 WeakPolarHBondContact CA-O 3.28Å; V110-L300 HydrophobicContact CG2-CB 4.42Å; V110-L302 HydrophobicContact CG1-CD1 4.08Å; V110-L302 HydrophobicContact CG1-CG 4.39Å
111	I	94.2	Very high	89.1	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.9	161.8	-65.6	174	0	0	0	107.2	V113 G275 I285 I288 E289 L294 L300 V301 L302	I111-V113 HydrophobicContact CG2-CG2 4.07Å; I111-G275 CarbonylContact C-O 3.49Å; I111-G275 WeakPolarHBondContact CA-O 3.35Å; I111-I285 HydrophobicContact CD1-CG2 3.97Å; I111-I285 HydrophobicContact CG2-CG1 4.35Å; I111-I285 HydrophobicContact CG2-CG2 4.42Å; I111-I288 HydrophobicContact CD1-CB 4.41Å; I111-I288 HydrophobicContact CD1-CG2 3.9Å; I111-I288 HydrophobicContact CG1-CG2 4.48Å; I111-E289 HydrophobicContact CD1-CG 3.52Å; I111-L294 HydrophobicContact CD1-CD1 4.12Å; I111-L294 HydrophobicContact CG1-CD1 4.13Å; I111-L300 PolarHBondContact N-O 3.19Å; I111-V301 HydrophobicContact CB-CG2 4.4Å; I111-V301 WeakPolarHBondContact O-CA 3.42Å; I111-L302 PolarHBondContact O-N 3.4Å
112	L	93.2	Very high	89	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110.5	-178.3	-175.9	62.1	0	0	0	110.8	L96 A100 V110 M114 V123 I274 G275 L276 T277 L302	L96-L112 HydrophobicContact CB-CD1 4.49Å; A100-L112 HydrophobicContact CB-CD1 4.23Å; A100-L112 HydrophobicContact CB-CD2 3.94Å; V110-L112 HydrophobicContact CG1-CB 4.31Å; L112-M114 HydrophobicContact CD1-CE 3.96Å; L112-M114 HydrophobicContact CD1-CG 3.72Å; L112-M114 HydrophobicContact CD1-SD 3.97Å; L112-M114 HydrophobicContact CD2-CE 4.29Å; L112-M114 HydrophobicContact CD2-CG 4.32Å; L112-M114 HydrophobicContact CD2-SD 3.72Å; L112-M114 HydrophobicContact CG-CG 3.85Å; L112-M114 HydrophobicContact CG-SD 3.93Å; L112-V123 HydrophobicContact CD2-CB 4.17Å; L112-V123 HydrophobicContact CD2-CG1 4.11Å; L112-V123 HydrophobicContact CD2-CG2 3.73Å; L112-I274 HydrophobicContact CB-CD1 4.44Å; L112-G275 PolarHBondContact N-O 3.14Å; L112-L276 HydrophobicContact CD2-CD2 4.19Å; L112-L276 WeakPolarHBondContact O-CA 3.02Å; L112-T277 PolarHBondContact O-N 3.47Å; L112-L302 HydrophobicContact CD1-CB 3.64Å; L112-L302 HydrophobicContact CD1-CD1 4.35Å
113	V	90.1	Very high	89	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	100.9	176.9	-170.9	0	0	0	0	109.4	I111 T277 A280 I285 L302 R303 T304 Y306	I111-V113 HydrophobicContact CG2-CG2 4.07Å; V113-T277 WeakPolarHBondContact CA-O 3.42Å; V113-T277 HydrophobicContact CG1-CG2 4.49Å; V113-T277 HydrophobicContact CG2-CG2 3.99Å; V113-A280 HydrophobicContact CG2-CB 4.28Å; V113-I285 HydrophobicContact CG2-CD1 3.96Å; V113-I285 HydrophobicContact CG2-CG1 4.32Å; V113-L302 PolarHBondContact N-O 2.72Å; V113-R303 HydrophobicContact CB-CB 4.24Å; V113-R303 HydrophobicContact CB-CG 4.04Å; V113-R303 HydrophobicContact CG1-CG 4.23Å; V113-R303 WeakPolarHBondContact O-CA 3.49Å; V113-T304 PolarHBondContact O-N 3.45Å; V113-Y306 HydrophobicContact CG1-CE1 4.44Å; V113-Y306 WeakPolarHBondContact CG1-OH 3.2Å
114	M	86.4	Confident	89.1	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.005	10%	0.097	C	C	.	.			trans	-135.6	140.7	-178.5	-72.9	179.7	154.1	0	0	110.9	P95 L96 Q97 L112 A118 K120 T277 A278 T304	P95-M114 WeakPolarHBondContact O-CE 3.24Å; L96-M114 HydrophobicContact CB-CE 3.39Å; Q97-M114 HydrophobicContact CG-CE 4.11Å; L112-M114 HydrophobicContact CD1-CE 3.96Å; L112-M114 HydrophobicContact CD1-CG 3.72Å; L112-M114 HydrophobicContact CD1-SD 3.97Å; L112-M114 HydrophobicContact CD2-CE 4.29Å; L112-M114 HydrophobicContact CD2-CG 4.32Å; L112-M114 HydrophobicContact CD2-SD 3.72Å; L112-M114 HydrophobicContact CG-CG 3.85Å; L112-M114 HydrophobicContact CG-SD 3.93Å; M114-A118 HydrophobicContact CB-CB 3.79Å; M114-A118 HydrophobicContact CG-CB 4.42Å; M114-A118 HydrophobicContact SD-CB 4.13Å; M114-K120 HydrophobicContact CB-CD 4.15Å; M114-K120 HydrophobicContact CB-CG 3.78Å; M114-K120 WeakPolarHBondContact O-CD 3.44Å; M114-K120 PolarHBondContact O-NZ 3.47Å; M114-K120 HydrophobicContact SD-CG 4.17Å; M114-T277 PolarHBondContact N-O 3.29Å; M114-A278 WeakPolarHBondContact O-CA 3.48Å; M114-T304 HydrophobicContact CG-CG2 4.38Å
115	P	78.6	Confident	89.2	Confident	10 Å²	10	16 Å²	16	7%	0.065	10%	0.1	C	C	.	.			trans	-62.1	164.1	-175.6	30	-38.2	0	0	0	112.7	G117 A118 K120 T304 Y424	P115-G117 PolarHBondContact O-N 3.17Å; P115-A118 HydrophobicContact CG-CB 4.07Å; P115-A118 VanDerWaalsContact O-CB 3.23Å; P115-A118 WeakPolarHBondContact O-CB 3.48Å; P115-A118 PolarHBondContact O-N 3.01Å; P115-A118 VanDerWaalsContact O-N 3.12Å; P115-K120 PolarHBondContact O-NZ 3.18Å; P115-T304 WeakPolarHBondContact CD-OG1 3.34Å; P115-Y424 HydrophobicContact CB-CE1 3.99Å; P115-Y424 WeakPolarHBondContact CB-OH 3.29Å
116	T	75.9	Confident	89.3	Confident	11 Å²	11	15.6 Å²	15.6	7%	0.067	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	138.9	175.1	-62.1	0	0	0	0	110.2	A118 Q425 R429	T116-A118 VanDerWaalsContact C-N 3.27Å; T116-A118 PolarHBondContact O-N 2.86Å; T116-Q425 WeakPolarHBondContact CG2-O 3.2Å; T116-Q425 WeakPolarHBondContact OG1-CA 3.31Å; T116-R429 HydrophobicContact CG2-CG 4.44Å
117	G	71.9	Confident	89.5	Confident	10 Å²	10	14 Å²	14	10%	0.103	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-3.6	-176.2	0	0	0	0	0	115.3	R94 P115 G119 R432	R94-G117 PolarHBondContact NH1-O 3.36Å; P115-G117 PolarHBondContact O-N 3.17Å; G117-G119 PolarHBondContact O-N 3.15Å; G117-G119 VanDerWaalsContact O-N 3.15Å; G117-R432 VanDerWaalsContact CA-NE 3.29Å
118	A	78.8	Confident	89.6	Confident	14 Å²	14	12.3 Å²	12.3	12%	0.116	7%	0.073	C	C	.	.	S	Bend	trans	-69.5	-5.6	174.1	0	0	0	0	0	114.3	R94 Q97 M114 P115 T116	R94-A118 VanDerWaalsContact CD-O 3.31Å; R94-A118 WeakPolarHBondContact CD-O 3.34Å; Q97-A118 PolarHBondContact NE2-O 2.9Å; M114-A118 HydrophobicContact CB-CB 3.79Å; M114-A118 HydrophobicContact CG-CB 4.42Å; M114-A118 HydrophobicContact SD-CB 4.13Å; P115-A118 HydrophobicContact CG-CB 4.07Å; P115-A118 VanDerWaalsContact O-CB 3.23Å; P115-A118 WeakPolarHBondContact O-CB 3.48Å; P115-A118 PolarHBondContact O-N 3.01Å; P115-A118 VanDerWaalsContact O-N 3.12Å; T116-A118 VanDerWaalsContact C-N 3.27Å; T116-A118 PolarHBondContact O-N 2.86Å
119	G	82.9	Confident	89.7	Confident	22 Å²	22	10.2 Å²	10.2	23%	0.227	7%	0.066	C	C	.	.			trans	81.1	40.2	179.6	0	0	0	0	0	113.8	Q97 G117 S121 L122	Q97-G119 PolarHBondContact NE2-O 3.45Å; G117-G119 PolarHBondContact O-N 3.15Å; G117-G119 VanDerWaalsContact O-N 3.15Å; G119-S121 VanDerWaalsContact C-N 3.28Å; G119-S121 PolarHBondContact O-N 3.24Å; G119-L122 WeakPolarHBondContact O-CB 3.26Å; G119-L122 PolarHBondContact O-N 2.95Å
120	K	89.6	Confident	89.7	Confident	19 Å²	19	9.3 Å²	9.3	8%	0.083	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-43.5	176.3	-73.6	-171.1	-68.7	-75.2	0	112.9	M114 P115 L122 V123 L276	M114-K120 HydrophobicContact CB-CD 4.15Å; M114-K120 HydrophobicContact CB-CG 3.78Å; M114-K120 WeakPolarHBondContact O-CD 3.44Å; M114-K120 PolarHBondContact O-NZ 3.47Å; M114-K120 HydrophobicContact SD-CG 4.17Å; P115-K120 PolarHBondContact O-NZ 3.18Å; K120-L122 PolarHBondContact O-N 3.32Å; K120-V123 WeakPolarHBondContact O-CB 3.36Å; K120-V123 PolarHBondContact O-N 3.32Å; K120-L276 HydrophobicContact CB-CD2 3.9Å; K120-L276 HydrophobicContact CD-CB 4.33Å; K120-L276 VanDerWaalsContact O-CD2 3.26Å; K120-L276 WeakPolarHBondContact O-CD2 3.4Å
121	S	92	Very high	89.4	Confident	31 Å²	31	12.9 Å²	12.9	22%	0.217	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.9	-176	-51.5	0	0	0	0	113.6	G119 V123 Y124 Q125 Q159	G119-S121 VanDerWaalsContact C-N 3.28Å; G119-S121 PolarHBondContact O-N 3.24Å; S121-V123 PolarHBondContact O-N 3.01Å; S121-V123 VanDerWaalsContact O-N 3.16Å; S121-Y124 VanDerWaalsContact CB-OH 3.31Å; S121-Y124 WeakPolarHBondContact CB-OH 3.42Å; S121-Y124 PolarHBondContact O-N 2.81Å; S121-Y124 PolarHBondContact OG-OH 2.95Å; S121-Q125 VanDerWaalsContact O-CB 3.31Å; S121-Q125 WeakPolarHBondContact O-CB 3.42Å; S121-Q125 WeakPolarHBondContact O-CG 3.26Å; S121-Q125 PolarHBondContact O-N 3Å; S121-Q159 PolarHBondContact OG-NE2 2.89Å
122	L	93	Very high	89	Confident	16 Å²	16	13.4 Å²	13.4	8%	0.084	8%	0.084	C	C	.	.	H	α-helix	trans	-57.5	-32.9	177.8	-173.3	71.5	0	0	0	112	F88 I90 F93 G119 K120 Y124 Q125 L126	F88-L122 HydrophobicContact CB-CD1 4.3Å; F88-L122 HydrophobicContact CD1-CD1 3.49Å; F88-L122 VanDerWaalsContact CD1-CD1 3.49Å; F88-L122 HydrophobicContact CD2-CD1 3.84Å; F88-L122 HydrophobicContact CE1-CD1 3.64Å; F88-L122 HydrophobicContact CE2-CD1 4Å; F88-L122 HydrophobicContact CG-CD1 3.59Å; F88-L122 HydrophobicContact CZ-CD1 3.9Å; I90-L122 HydrophobicContact CD1-CD1 4.28Å; I90-L122 HydrophobicContact CD1-CD2 3.36Å; I90-L122 HydrophobicContact CD1-CG 4.47Å; F93-L122 HydrophobicContact CD1-CD2 4.07Å; F93-L122 HydrophobicContact CE1-CD2 4.05Å; G119-L122 WeakPolarHBondContact O-CB 3.26Å; G119-L122 PolarHBondContact O-N 2.95Å; K120-L122 PolarHBondContact O-N 3.32Å; L122-Y124 VanDerWaalsContact C-N 3.28Å; L122-Y124 PolarHBondContact O-N 2.77Å; L122-Q125 PolarHBondContact O-N 3.4Å; L122-L126 HydrophobicContact CD1-CB 4.1Å; L122-L126 HydrophobicContact CD1-CD1 4.39Å; L122-L126 HydrophobicContact CG-CB 4.3Å; L122-L126 VanDerWaalsContact O-CB 3.27Å; L122-L126 WeakPolarHBondContact O-CB 3.16Å; L122-L126 PolarHBondContact O-N 2.78Å
123	V	95.1	Very high	88.7	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-29.6	-174.4	178.3	0	0	0	0	112.6	Q97 A100 I101 L112 K120 S121 P127 I274 L276	Q97-V123 HydrophobicContact CB-CG2 4.31Å; Q97-V123 HydrophobicContact CG-CG2 4.27Å; A100-V123 HydrophobicContact CB-CG1 3.42Å; A100-V123 VanDerWaalsContact CB-CG1 3.42Å; A100-V123 HydrophobicContact CB-CG2 4.27Å; I101-V123 HydrophobicContact CG1-CB 4.44Å; I101-V123 HydrophobicContact CG1-CG1 4.22Å; L112-V123 HydrophobicContact CD2-CB 4.17Å; L112-V123 HydrophobicContact CD2-CG1 4.11Å; L112-V123 HydrophobicContact CD2-CG2 3.73Å; K120-V123 WeakPolarHBondContact O-CB 3.36Å; K120-V123 PolarHBondContact O-N 3.32Å; S121-V123 PolarHBondContact O-N 3.01Å; S121-V123 VanDerWaalsContact O-N 3.16Å; V123-P127 WeakPolarHBondContact O-CD 3.32Å; V123-P127 WeakPolarHBondContact O-CG 3.23Å; V123-I274 HydrophobicContact CB-CD1 4.45Å; V123-I274 HydrophobicContact CG1-CD1 3.44Å; V123-I274 VanDerWaalsContact CG1-CD1 3.44Å; V123-L276 HydrophobicContact CB-CD2 4.5Å
124	Y	95.9	Very high	88.6	Confident	2 Å²	2	21 Å²	21	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-104.3	-23.7	172.9	60.4	-104.7	0	0	0	113.3	S121 L122 V148 Q159 L209 Y211 A240 L276	S121-Y124 VanDerWaalsContact CB-OH 3.31Å; S121-Y124 WeakPolarHBondContact CB-OH 3.42Å; S121-Y124 PolarHBondContact O-N 2.81Å; S121-Y124 PolarHBondContact OG-OH 2.95Å; L122-Y124 VanDerWaalsContact C-N 3.28Å; L122-Y124 PolarHBondContact O-N 2.77Å; Y124-V148 HydrophobicContact CD2-CG1 4.27Å; Y124-V148 HydrophobicContact CD2-CG2 3.63Å; Y124-V148 HydrophobicContact CE2-CB 4.46Å; Y124-V148 HydrophobicContact CE2-CG1 3.79Å; Y124-V148 HydrophobicContact CE2-CG2 3.79Å; Y124-V148 HydrophobicContact CG-CG2 4.49Å; Y124-Q159 PolarHBondContact OH-NE2 2.8Å; Y124-Q159 PolarHBondContact OH-OE1 2.89Å; Y124-L209 HydrophobicContact CD2-CD2 4.4Å; Y124-Y211 HydrophobicContact CE2-CE1 4.3Å; Y124-A240 HydrophobicContact CD1-CB 3.82Å; Y124-A240 HydrophobicContact CD2-CB 4.33Å; Y124-A240 HydrophobicContact CG-CB 3.68Å; Y124-L276 HydrophobicContact CD1-CD1 3.68Å; Y124-L276 HydrophobicContact CD1-CD2 3.75Å; Y124-L276 HydrophobicContact CD1-CG 4.4Å; Y124-L276 HydrophobicContact CE1-CD1 4.02Å; Y124-L276 HydrophobicContact CE1-CD2 3.96Å
125	Q	96.1	Very high	88.7	Confident	19 Å²	19	21.5 Å²	21.5	9%	0.089	14%	0.135	C	C	.	.	H	α-helix	trans	-72.1	-44.7	177.4	-71.8	171.4	-19	0	0	111.9	F88 S121 L122 A128 L129 L163 L209 Y211	F88-Q125 HydrophobicContact CE1-CB 4.36Å; F88-Q125 HydrophobicContact CZ-CB 3.9Å; S121-Q125 VanDerWaalsContact O-CB 3.31Å; S121-Q125 WeakPolarHBondContact O-CB 3.42Å; S121-Q125 WeakPolarHBondContact O-CG 3.26Å; S121-Q125 PolarHBondContact O-N 3Å; L122-Q125 PolarHBondContact O-N 3.4Å; Q125-A128 WeakPolarHBondContact O-CB 3.38Å; Q125-A128 PolarHBondContact O-N 2.83Å; Q125-L129 WeakPolarHBondContact O-CG 3.18Å; Q125-L129 PolarHBondContact O-N 2.98Å; Q125-L163 HydrophobicContact CG-CD1 4.25Å; Q125-L163 HydrophobicContact CG-CD2 4.48Å; Q125-L209 HydrophobicContact CB-CD1 4.5Å; Q125-L209 HydrophobicContact CG-CD1 4.26Å; Q125-Y211 PolarHBondContact NE2-OH 2.81Å
126	L	95.8	Very high	89.1	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-49.2	-178.3	-178.3	157	0	0	0	112.1	V80 V83 R84 F88 F93 I101 L122 A128 L129 L130	V80-L126 HydrophobicContact CB-CD2 4.29Å; V80-L126 HydrophobicContact CG1-CD2 3.98Å; V80-L126 HydrophobicContact CG2-CD2 4.04Å; V83-L126 HydrophobicContact CB-CG 4.37Å; V83-L126 HydrophobicContact CG1-CD1 4.48Å; V83-L126 HydrophobicContact CG1-CG 3.89Å; R84-L126 HydrophobicContact CB-CD1 4.12Å; F88-L126 HydrophobicContact CD2-CB 4.4Å; F88-L126 HydrophobicContact CD2-CD1 4.32Å; F88-L126 HydrophobicContact CD2-CG 4.45Å; F88-L126 HydrophobicContact CE2-CB 3.84Å; F88-L126 HydrophobicContact CE2-CG 4.23Å; F88-L126 HydrophobicContact CZ-CB 4.44Å; F93-L126 HydrophobicContact CE1-CD1 3.8Å; F93-L126 HydrophobicContact CZ-CD1 3.85Å; I101-L126 HydrophobicContact CD1-CB 4.47Å; I101-L126 HydrophobicContact CD1-CD1 4.39Å; I101-L126 HydrophobicContact CD1-CD2 4.31Å; I101-L126 HydrophobicContact CG2-CD2 4.3Å; L122-L126 HydrophobicContact CD1-CB 4.1Å; L122-L126 HydrophobicContact CD1-CD1 4.39Å; L122-L126 HydrophobicContact CG-CB 4.3Å; L122-L126 VanDerWaalsContact O-CB 3.27Å; L122-L126 WeakPolarHBondContact O-CB 3.16Å; L122-L126 PolarHBondContact O-N 2.78Å; L126-A128 PolarHBondContact O-N 2.97Å; L126-L129 PolarHBondContact O-N 3.3Å; L126-L130 HydrophobicContact CD2-CD2 3.91Å
127	P	95.2	Very high	89.6	Confident	14 Å²	14	26.1 Å²	26.1	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-56.6	-32	175.7	-30.2	39	0	0	0	114.1	I101 L105 V123 L129	I101-P127 HydrophobicContact CG1-CG 4.26Å; I101-P127 HydrophobicContact CG2-CG 4.19Å; L105-P127 HydrophobicContact CD2-CB 4.11Å; L105-P127 HydrophobicContact CG-CB 4.47Å; V123-P127 WeakPolarHBondContact O-CD 3.32Å; V123-P127 WeakPolarHBondContact O-CG 3.23Å; P127-L129 VanDerWaalsContact C-N 3.26Å; P127-L129 PolarHBondContact O-N 3.37Å
128	A	95.1	Very high	90.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-69.3	-23.9	179	0	0	0	0	0	113.2	Q125 L126 R208 L209	Q125-A128 WeakPolarHBondContact O-CB 3.38Å; Q125-A128 PolarHBondContact O-N 2.83Å; L126-A128 PolarHBondContact O-N 2.97Å; A128-R208 HydrophobicContact CB-CB 4.41Å; A128-R208 VanDerWaalsContact O-CB 3.32Å; A128-R208 WeakPolarHBondContact O-CB 3.45Å; A128-R208 WeakPolarHBondContact O-CD 3.41Å; A128-R208 WeakPolarHBondContact O-CG 3.29Å; A128-L209 HydrophobicContact CB-CD1 4.25Å; A128-L209 HydrophobicContact CB-CD2 3.63Å; A128-L209 HydrophobicContact CB-CG 3.65Å
129	L	94.6	Very high	90.3	Very high	21 Å²	21	34.7 Å²	34.7	11%	0.11	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	4.3	-176.5	-60.5	-179.1	0	0	0	113.6	V83 V87 F88 Q125 L126 P127 L168 T172 R208	V83-L129 HydrophobicContact CG1-CB 4.02Å; V87-L129 HydrophobicContact CG1-CD1 4.1Å; F88-L129 HydrophobicContact CE2-CD1 3.9Å; F88-L129 HydrophobicContact CZ-CD1 3.81Å; Q125-L129 WeakPolarHBondContact O-CG 3.18Å; Q125-L129 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 3.3Å; P127-L129 VanDerWaalsContact C-N 3.26Å; P127-L129 PolarHBondContact O-N 3.37Å; L129-L168 HydrophobicContact CD1-CD1 4.34Å; L129-L168 HydrophobicContact CD1-CD2 4.07Å; L129-L168 HydrophobicContact CD2-CD1 4.43Å; L129-L168 HydrophobicContact CD2-CD2 4.35Å; L129-T172 HydrophobicContact CD2-CG2 3.63Å; L129-R208 HydrophobicContact CD2-CB 4.3Å; L129-R208 HydrophobicContact CD2-CG 4.4Å
130	L	94.1	Very high	90.4	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	23%	0.233	C	C	.	.	S	Bend	trans	-69.1	145.3	174.5	-57.5	175.9	0	0	0	111.1	E79 V80 V83 L105 L126 V132 F135	E79-L130 HydrophobicContact CB-CD2 4.27Å; E79-L130 HydrophobicContact CG-CB 3.84Å; E79-L130 HydrophobicContact CG-CD2 3.73Å; E79-L130 HydrophobicContact CG-CG 4.31Å; V80-L130 HydrophobicContact CB-CD2 4.49Å; V80-L130 HydrophobicContact CG2-CD1 4.12Å; V80-L130 HydrophobicContact CG2-CD2 3.94Å; V83-L130 HydrophobicContact CB-CD2 4.21Å; V83-L130 HydrophobicContact CG2-CD2 3.89Å; L105-L130 HydrophobicContact CD1-CD1 3.78Å; L105-L130 HydrophobicContact CD2-CD1 3.73Å; L105-L130 HydrophobicContact CG-CD1 4.42Å; L126-L130 HydrophobicContact CD2-CD2 3.91Å; L130-V132 VanDerWaalsContact C-N 3.32Å; L130-V132 PolarHBondContact O-N 2.54Å; L130-F135 HydrophobicContact CB-CE1 4.25Å; L130-F135 HydrophobicContact CD1-CE1 4.16Å; L130-F135 HydrophobicContact CD1-CZ 4.01Å
131	N	90.2	Very high	90.2	Very high	76 Å²	76	47.1 Å²	47.1	41%	0.406	25%	0.25	S	S	.	.			trans	-72.2	88.9	161.1	-176.7	2.3	0	0	0	109.6	E79 N133 A134	E79-N131 HydrophobicContact CG-CB 4.46Å; E79-N131 VanDerWaalsContact OE1-CB 3.26Å; E79-N131 WeakPolarHBondContact OE1-CB 3.24Å; E79-N131 PolarHBondContact OE1-N 3.09Å; N131-N133 PolarHBondContact O-N 3.29Å; N131-N133 PolarHBondContact OD1-N 3.4Å; N131-A134 HydrophobicContact CB-CB 4.34Å; N131-A134 WeakPolarHBondContact O-CB 3.39Å; N131-A134 PolarHBondContact O-N 3.47Å
132	V	85.7	Confident	89.8	Confident	11 Å²	11	47.6 Å²	47.6	7%	0.067	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-64	-12.9	-176.7	-61.8	0	0	0	0	114.5	L130 A134 Y141 R142	L130-V132 VanDerWaalsContact C-N 3.32Å; L130-V132 PolarHBondContact O-N 2.54Å; V132-A134 VanDerWaalsContact C-N 3.29Å; V132-Y141 WeakPolarHBondContact O-CD1 3.24Å; V132-R142 HydrophobicContact CB-CB 4.23Å; V132-R142 HydrophobicContact CG1-CB 4.2Å; V132-R142 WeakPolarHBondContact CG2-O 3.46Å
133	N	86.1	Confident	89.5	Confident	100 Å²	100	47.2 Å²	47.2	54%	0.535	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-81	-11	173.2	-63.3	-35.6	0	0	0	112.6	N131 F135 Y141	N131-N133 PolarHBondContact O-N 3.29Å; N131-N133 PolarHBondContact OD1-N 3.4Å; N133-F135 VanDerWaalsContact C-N 3.32Å; N133-Y141 WeakPolarHBondContact O-CE1 3.28Å
134	A	87	Confident	89.3	Confident	61 Å²	61	47.6 Å²	47.6	50%	0.504	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-78.5	-14.9	-178.7	0	0	0	0	0	113.4	N131 V132	N131-A134 HydrophobicContact CB-CB 4.34Å; N131-A134 WeakPolarHBondContact O-CB 3.39Å; N131-A134 PolarHBondContact O-N 3.47Å; V132-A134 VanDerWaalsContact C-N 3.29Å
135	F	89.7	Confident	89.3	Confident	10 Å²	10	47.6 Å²	47.6	4%	0.044	25%	0.25	C	C	.	.			trans	-147.2	159	-177.5	62.2	-89.8	0	0	0	112.1	P75 W76 E79 L105 L130 N133 V137 Y141 R142	P75-F135 HydrophobicContact CB-CB 4.13Å; P75-F135 VanDerWaalsContact O-CB 3.28Å; P75-F135 WeakPolarHBondContact O-CB 3.49Å; W76-F135 HydrophobicContact CB-CD1 3.84Å; W76-F135 HydrophobicContact CB-CD2 3.79Å; W76-F135 HydrophobicContact CB-CE1 3.79Å; W76-F135 HydrophobicContact CB-CE2 3.73Å; W76-F135 HydrophobicContact CB-CG 3.84Å; W76-F135 HydrophobicContact CB-CZ 3.74Å; W76-F135 HydrophobicContact CE3-CD2 4.11Å; W76-F135 HydrophobicContact CE3-CE2 4.14Å; W76-F135 HydrophobicContact CG-CE2 4.46Å; E79-F135 HydrophobicContact CB-CD1 4.42Å; E79-F135 HydrophobicContact CB-CE1 4.45Å; E79-F135 HydrophobicContact CG-CE1 4.37Å; L105-F135 HydrophobicContact CD2-CZ 4.47Å; L130-F135 HydrophobicContact CB-CE1 4.25Å; L130-F135 HydrophobicContact CD1-CE1 4.16Å; L130-F135 HydrophobicContact CD1-CZ 4.01Å; N133-F135 VanDerWaalsContact C-N 3.32Å; F135-V137 HydrophobicContact CD2-CG2 3.92Å; F135-V137 HydrophobicContact CE2-CG2 3.92Å; F135-Y141 WeakPolarHBondContact O-CD1 3.3Å; F135-R142 HydrophobicContact CE2-CB 4.44Å; F135-R142 HydrophobicContact CE2-CG 4.14Å
136	K	87.3	Confident	89.4	Confident	105 Å²	105	46.7 Å²	46.7	46%	0.457	25%	0.246	S	C	.	.			trans	-119.4	141.5	172.7	-70.4	-180	177.5	-178.8	0	109.7	R140 Y141	K136-R140 CarbonylContact C-O 3.56Å; K136-R140 VanDerWaalsContact CA-O 3.32Å; K136-R140 WeakPolarHBondContact CA-O 3.39Å; K136-Y141 HydrophobicContact CD-CE1 4.46Å; K136-Y141 WeakPolarHBondContact CE-OH 3.45Å; K136-Y141 HydrophobicContact CG-CD1 3.93Å; K136-Y141 HydrophobicContact CG-CE1 3.79Å; K136-Y141 HydrophobicContact CG-CG 4.44Å
137	V	85.2	Confident	89.5	Confident	14 Å²	14	46.7 Å²	46.7	9%	0.085	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-114.6	123	172.5	-172.3	0	0	0	0	107	W76 F135 G139 R140 R142	W76-V137 HydrophobicContact CE3-CG2 3.62Å; W76-V137 HydrophobicContact CZ3-CB 4.25Å; W76-V137 HydrophobicContact CZ3-CG1 3.92Å; W76-V137 HydrophobicContact CZ3-CG2 3.44Å; W76-V137 VanDerWaalsContact CZ3-CG2 3.44Å; F135-V137 HydrophobicContact CD2-CG2 3.92Å; F135-V137 HydrophobicContact CE2-CG2 3.92Å; V137-G139 PolarHBondContact O-N 3.19Å; V137-G139 VanDerWaalsContact O-N 3.16Å; V137-R140 PolarHBondContact N-O 2.91Å; V137-R140 PolarHBondContact O-N 2.88Å; V137-R142 HydrophobicContact CG2-CG 3.95Å
138	N	83.5	Confident	89.6	Confident	145 Å²	145	46 Å²	46	78%	0.775	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	42.3	-175.8	-59.9	-37.5	0	0	0	112.8	R140	N138-R140 VanDerWaalsContact C-N 3.28Å; N138-R140 PolarHBondContact O-N 2.94Å
139	G	82.7	Confident	89.6	Confident	59 Å²	59	46 Å²	46	61%	0.608	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	1	179.2	0	0	0	0	0	116.1	V137	V137-G139 PolarHBondContact O-N 3.19Å; V137-G139 VanDerWaalsContact O-N 3.16Å
140	R	83.7	Confident	89.5	Confident	190 Å²	190	45 Å²	45	72%	0.717	24%	0.236	S	C	*	.	B	Isolated β-bridge	trans	-119.8	148.6	-177.1	-63.3	-179.1	179.3	152.5	1.3	112.1	K136 V137 N138	K136-R140 CarbonylContact C-O 3.56Å; K136-R140 VanDerWaalsContact CA-O 3.32Å; K136-R140 WeakPolarHBondContact CA-O 3.39Å; V137-R140 PolarHBondContact N-O 2.91Å; V137-R140 PolarHBondContact O-N 2.88Å; N138-R140 VanDerWaalsContact C-N 3.28Å; N138-R140 PolarHBondContact O-N 2.94Å
141	Y	85.3	Confident	89	Confident	112 Å²	112	45.1 Å²	45.1	44%	0.439	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-71.7	143.7	168.2	-64.4	-69.4	0	0	0	110.1	V132 N133 F135 K136 N234	V132-Y141 WeakPolarHBondContact O-CD1 3.24Å; N133-Y141 WeakPolarHBondContact O-CE1 3.28Å; F135-Y141 WeakPolarHBondContact O-CD1 3.3Å; K136-Y141 HydrophobicContact CD-CE1 4.46Å; K136-Y141 WeakPolarHBondContact CE-OH 3.45Å; K136-Y141 HydrophobicContact CG-CD1 3.93Å; K136-Y141 HydrophobicContact CG-CE1 3.79Å; K136-Y141 HydrophobicContact CG-CG 4.44Å; Y141-N234 PolarHBondContact O-ND2 3.44Å
142	R	83.7	Confident	88.5	Confident	41 Å²	41	44.2 Å²	44.2	16%	0.155	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-75.7	151.4	175.5	-88.8	-81.5	-176.3	167.4	-4	110.7	V104 L105 D106 V132 F135 V137 A237	V104-R142 PolarHBondContact O-NH1 2.72Å; V104-R142 PolarHBondContact O-NH2 3.26Å; V104-R142 VanDerWaalsContact O-NH2 3.07Å; L105-R142 PolarHBondContact O-NE 3.01Å; L105-R142 VanDerWaalsContact O-NE 3.14Å; L105-R142 PolarHBondContact O-NH2 3.44Å; D106-R142 VanDerWaalsContact C-NH2 3.25Å; V132-R142 HydrophobicContact CB-CB 4.23Å; V132-R142 HydrophobicContact CG1-CB 4.2Å; V132-R142 WeakPolarHBondContact CG2-O 3.46Å; F135-R142 HydrophobicContact CE2-CB 4.44Å; F135-R142 HydrophobicContact CE2-CG 4.14Å; V137-R142 HydrophobicContact CG2-CG 3.95Å; R142-A237 PolarHBondContact NH1-O 2.73Å
143	G	88.1	Confident	88.2	Confident	8 Å²	8	46.1 Å²	46.1	8%	0.082	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-63.1	163.7	163.8	0	0	0	0	0	110.9	N234 R235 A237	G143-N234 WeakPolarHBondContact CA-O 3.5Å; G143-R235 CarbonylContact C-O 3.43Å; G143-R235 WeakPolarHBondContact CA-O 3.39Å; G143-A237 VanDerWaalsContact C-CB 3.43Å; G143-A237 WeakPolarHBondContact O-CB 3.49Å
144	S	90.7	Very high	87.6	Confident	8 Å²	8	42.2 Å²	42.2	6%	0.056	22%	0.224	C	C	.	.			trans	-118.2	-7.8	-176.4	71.7	0	0	0	0	115.6	R208 R235	S144-R208 WeakPolarHBondContact O-CD 3.45Å; S144-R208 PolarHBondContact OG-NH1 3.13Å; S144-R235 PolarHBondContact N-O 3.44Å
145	L	95.5	Very high	87.2	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.4	179.2	-177.9	72.6	0	0	0	109.8	L192 L207 L210 V230 R235 L236 A237	L145-L192 HydrophobicContact CD2-CD2 3.6Å; L145-L207 HydrophobicContact CD1-CB 4.47Å; L145-L207 HydrophobicContact CD1-CD2 4.09Å; L145-L207 HydrophobicContact CD1-CG 3.77Å; L145-L210 HydrophobicContact CD1-CB 4.25Å; L145-V230 HydrophobicContact CB-CG1 4.35Å; L145-V230 HydrophobicContact CD2-CG1 3.72Å; L145-V230 HydrophobicContact CD2-CG2 4.47Å; L145-R235 PolarHBondContact N-O 3.39Å; L145-L236 HydrophobicContact CD2-CD1 4.32Å; L145-A237 WeakPolarHBondContact O-CB 3.27Å; L145-A237 PolarHBondContact O-N 3.37Å
146	T	97.7	Very high	87.1	Confident	1 Å²	1	39 Å²	39	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.9	165.7	-64.1	0	0	0	0	109.2	V148 R208 L209 L210 C238 A240	T146-V148 HydrophobicContact CG2-CG2 3.94Å; T146-R208 PolarHBondContact N-O 3.48Å; T146-L209 HydrophobicContact CG2-CD2 4.19Å; T146-L210 PolarHBondContact O-N 3.09Å; T146-C238 WeakPolarHBondContact CA-O 3.22Å; T146-C238 HydrophobicContact CG2-CB 4.25Å; T146-A240 HydrophobicContact CG2-CB 4.34Å
147	L	98.1	Very high	86.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.1	171.1	179.7	67.3	0	0	0	108.6	I149 L210 V212 L217 L227 L236 C238 I239 A240	L147-I149 HydrophobicContact CD2-CD1 4.35Å; L147-I149 HydrophobicContact CD2-CG1 4.43Å; L147-I149 HydrophobicContact CG-CG1 4.25Å; L147-L210 HydrophobicContact CD1-CB 4.3Å; L147-L210 HydrophobicContact CD1-CD2 3.94Å; L147-L210 HydrophobicContact CD1-CG 4.06Å; L147-V212 HydrophobicContact CD1-CB 4.47Å; L147-V212 HydrophobicContact CD1-CG1 3.73Å; L147-V212 HydrophobicContact CG-CG1 4.34Å; L147-L217 HydrophobicContact CD2-CD2 4.47Å; L147-L227 HydrophobicContact CD1-CD1 4.46Å; L147-L227 HydrophobicContact CD1-CD2 4.29Å; L147-L227 HydrophobicContact CD2-CD1 3.86Å; L147-L227 HydrophobicContact CD2-CD2 4.36Å; L147-L236 HydrophobicContact CB-CD1 4.14Å; L147-C238 PolarHBondContact N-O 3.26Å; L147-I239 HydrophobicContact CB-CG1 4.43Å; L147-I239 HydrophobicContact CD2-CG1 4.5Å; L147-I239 CarbonylContact O-C 3.4Å; L147-I239 WeakPolarHBondContact O-CA 3.43Å; L147-A240 PolarHBondContact O-N 2.77Å
148	V	97.7	Very high	86.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.3	179.5	-170.9	0	0	0	0	109.5	Y124 T146 L209 L210 Y211 V212 A240	Y124-V148 HydrophobicContact CD2-CG1 4.27Å; Y124-V148 HydrophobicContact CD2-CG2 3.63Å; Y124-V148 HydrophobicContact CE2-CB 4.46Å; Y124-V148 HydrophobicContact CE2-CG1 3.79Å; Y124-V148 HydrophobicContact CE2-CG2 3.79Å; Y124-V148 HydrophobicContact CG-CG2 4.49Å; T146-V148 HydrophobicContact CG2-CG2 3.94Å; V148-L209 HydrophobicContact CG2-CD2 3.81Å; V148-L210 PolarHBondContact N-O 2.94Å; V148-Y211 HydrophobicContact CB-CD1 3.63Å; V148-Y211 HydrophobicContact CB-CE1 3.77Å; V148-Y211 HydrophobicContact CB-CG 4.28Å; V148-Y211 HydrophobicContact CG1-CD1 3.65Å; V148-Y211 HydrophobicContact CG1-CE1 3.53Å; V148-Y211 HydrophobicContact CG2-CD1 4.34Å; V148-Y211 HydrophobicContact CG2-CE1 4.09Å; V148-Y211 CarbonylContact O-C 3.57Å; V148-Y211 VanDerWaalsContact O-CA 3.31Å; V148-Y211 WeakPolarHBondContact O-CA 3.48Å; V148-V212 PolarHBondContact O-N 3.02Å; V148-A240 CarbonylContact C-O 3.41Å; V148-A240 WeakPolarHBondContact CA-O 3.29Å; V148-A240 HydrophobicContact CG1-CB 4.35Å; V148-A240 HydrophobicContact CG2-CB 4.32Å
149	I	95.9	Very high	86.5	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116	179.2	-53.3	177.4	0	0	0	107.3	L147 V212 P214 L217 I239 A240 I241 D242 L261 L264	L147-I149 HydrophobicContact CD2-CD1 4.35Å; L147-I149 HydrophobicContact CD2-CG1 4.43Å; L147-I149 HydrophobicContact CG-CG1 4.25Å; I149-V212 WeakPolarHBondContact CA-O 3.31Å; I149-V212 HydrophobicContact CG1-CG1 3.9Å; I149-P214 HydrophobicContact CG2-CB 4.35Å; I149-P214 HydrophobicContact CG2-CG 3.94Å; I149-L217 HydrophobicContact CD1-CD2 3.44Å; I149-L217 VanDerWaalsContact CD1-CD2 3.44Å; I149-L217 HydrophobicContact CG1-CD2 4.13Å; I149-I239 HydrophobicContact CD1-CG2 3.96Å; I149-A240 PolarHBondContact N-O 3.27Å; I149-I241 HydrophobicContact CB-CG1 4.5Å; I149-I241 HydrophobicContact CD1-CG1 4.31Å; I149-D242 PolarHBondContact O-N 2.68Å; I149-L261 HydrophobicContact CD1-CD2 3.7Å; I149-L261 HydrophobicContact CG2-CD1 4.31Å; I149-L261 HydrophobicContact CG2-CD2 4.17Å; I149-L264 HydrophobicContact CD1-CD1 3.38Å
150	S	91.9	Very high	86.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.			trans	-133	138.9	-177.1	-176	0	0	0	0	109.7	L152 L155 V212 P214	S150-L152 PolarHBondContact O-N 2.99Å; S150-L155 WeakPolarHBondContact OG-CD2 3.38Å; S150-V212 PolarHBondContact N-O 2.83Å; S150-V212 VanDerWaalsContact N-O 3.09Å; S150-P214 WeakPolarHBondContact O-CD 3.32Å
151	P	83.2	Confident	86.5	Confident	5 Å²	5	18.9 Å²	18.9	3%	0.032	10%	0.098	C	C	.	.	S	Bend	trans	-72	-22.7	-171.8	26.2	-28.2	0	0	0	112.4	E243 R255 Y258	P151-E243 HydrophobicContact CG-CB 3.95Å; P151-E243 HydrophobicContact CG-CG 4.36Å; P151-R255 VanDerWaalsContact CB-CZ 3.49Å; P151-R255 PolarHBondContact O-NH1 2.99Å; P151-Y258 HydrophobicContact CB-CE2 3.99Å; P151-Y258 WeakPolarHBondContact CB-OH 3.48Å; P151-Y258 WeakPolarHBondContact CD-OH 3.1Å; P151-Y258 WeakPolarHBondContact CG-OH 3.4Å
152	L	79.2	Confident	86.3	Confident	58 Å²	58	14.8 Å²	14.8	30%	0.304	8%	0.084	S	C	.	.			trans	-121.4	116.1	-164.1	-74.4	157.6	0	0	0	110.2	S150 S154 L155 M156 M401	S150-L152 PolarHBondContact O-N 2.99Å; L152-S154 PolarHBondContact O-N 3.07Å; L152-L155 HydrophobicContact CB-CB 4.1Å; L152-L155 WeakPolarHBondContact O-CA 3.49Å; L152-L155 VanDerWaalsContact O-CB 3.27Å; L152-L155 WeakPolarHBondContact O-CB 3.46Å; L152-L155 PolarHBondContact O-N 2.83Å; L152-M156 PolarHBondContact O-N 2.91Å; L152-M156 VanDerWaalsContact O-N 3.16Å; L152-M401 HydrophobicContact CB-CE 3.39Å; L152-M401 HydrophobicContact CB-SD 3.6Å; L152-M401 VanDerWaalsContact CB-SD 3.6Å; L152-M401 HydrophobicContact CD1-CE 3.55Å; L152-M401 HydrophobicContact CD1-SD 3.03Å; L152-M401 WeakPolarHBondContact CD1-SD 3.47Å; L152-M401 HydrophobicContact CD2-CE 4.17Å; L152-M401 HydrophobicContact CG-CE 3.82Å; L152-M401 HydrophobicContact CG-SD 3.79Å
153	V	79.4	Confident	86.4	Confident	50 Å²	50	13 Å²	13	30%	0.303	8%	0.077	S	C	.	.	H	α-helix	trans	-55.5	-40.8	179.3	175.9	0	0	0	0	111.1	L155 M156 V157 D177 T213	V153-L155 VanDerWaalsContact C-N 3.27Å; V153-L155 PolarHBondContact O-N 3.22Å; V153-M156 HydrophobicContact CB-CE 4.47Å; V153-M156 HydrophobicContact CG2-CE 4.26Å; V153-M156 PolarHBondContact O-N 2.89Å; V153-V157 HydrophobicContact CG1-CG2 4.11Å; V153-V157 WeakPolarHBondContact O-CB 3.33Å; V153-V157 VanDerWaalsContact O-CG2 3.27Å; V153-V157 WeakPolarHBondContact O-CG2 3.3Å; V153-V157 PolarHBondContact O-N 3.36Å; V153-D177 WeakPolarHBondContact CG1-OD2 3.49Å; V153-D177 HydrophobicContact CG2-CB 3.78Å; V153-T213 HydrophobicContact CG2-CG2 3.68Å
154	S	73.4	Confident	86.1	Confident	18 Å²	18	17.3 Å²	17.3	13%	0.126	10%	0.102	C	C	.	.	H	α-helix	trans	-59	-38.6	175.9	52.6	0	0	0	0	112.4	L152 V157 D158 M401	L152-S154 PolarHBondContact O-N 3.07Å; S154-V157 PolarHBondContact O-N 2.97Å; S154-D158 WeakPolarHBondContact O-CB 3.4Å; S154-D158 PolarHBondContact O-N 3.49Å; S154-M401 WeakPolarHBondContact OG-CE 3.35Å
155	L	80.1	Confident	85.7	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-64.5	-46	176.5	177.7	45.5	0	0	0	112.1	S150 L152 V153 V157 D158 Q159 D242 M401	S150-L155 WeakPolarHBondContact OG-CD2 3.38Å; L152-L155 HydrophobicContact CB-CB 4.1Å; L152-L155 WeakPolarHBondContact O-CA 3.49Å; L152-L155 VanDerWaalsContact O-CB 3.27Å; L152-L155 WeakPolarHBondContact O-CB 3.46Å; L152-L155 PolarHBondContact O-N 2.83Å; V153-L155 VanDerWaalsContact C-N 3.27Å; V153-L155 PolarHBondContact O-N 3.22Å; L155-V157 VanDerWaalsContact C-N 3.33Å; L155-V157 PolarHBondContact O-N 3.48Å; L155-D158 PolarHBondContact O-N 3.09Å; L155-Q159 HydrophobicContact CD1-CG 4.02Å; L155-Q159 VanDerWaalsContact CD1-NE2 3.27Å; L155-Q159 WeakPolarHBondContact O-CB 3.35Å; L155-Q159 WeakPolarHBondContact O-CG 3.34Å; L155-Q159 PolarHBondContact O-N 3.02Å; L155-D242 WeakPolarHBondContact CD2-OD2 3.38Å; L155-M401 HydrophobicContact CB-CB 3.57Å; L155-M401 HydrophobicContact CB-CE 4.24Å; L155-M401 HydrophobicContact CB-CG 4.48Å; L155-M401 HydrophobicContact CB-SD 4.1Å; L155-M401 HydrophobicContact CD1-CB 3.5Å; L155-M401 WeakPolarHBondContact CD1-O 3.47Å; L155-M401 HydrophobicContact CD2-CB 3.89Å; L155-M401 HydrophobicContact CD2-CG 4.46Å; L155-M401 HydrophobicContact CD2-SD 4.26Å; L155-M401 HydrophobicContact CG-CB 3.82Å
156	M	86.4	Confident	85.2	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-46.1	177.1	-58.1	-167.7	-46.8	0	0	111.5	L152 V153 Q159 S160 V175 D177 Y211 T213	L152-M156 PolarHBondContact O-N 2.91Å; L152-M156 VanDerWaalsContact O-N 3.16Å; V153-M156 HydrophobicContact CB-CE 4.47Å; V153-M156 HydrophobicContact CG2-CE 4.26Å; V153-M156 PolarHBondContact O-N 2.89Å; M156-Q159 PolarHBondContact O-N 3.43Å; M156-S160 WeakPolarHBondContact O-CB 3.47Å; M156-S160 PolarHBondContact O-N 2.94Å; M156-V175 HydrophobicContact CB-CG1 3.86Å; M156-V175 HydrophobicContact CE-CG1 3.44Å; M156-V175 VanDerWaalsContact CE-CG1 3.44Å; M156-V175 HydrophobicContact SD-CG1 4.41Å; M156-D177 HydrophobicContact CE-CB 3.89Å; M156-Y211 HydrophobicContact CB-CD1 4.21Å; M156-Y211 HydrophobicContact CB-CG 4.24Å; M156-Y211 HydrophobicContact CG-CD1 4.19Å; M156-Y211 HydrophobicContact CG-CG 4.49Å; M156-T213 HydrophobicContact CE-CG2 3.58Å; M156-T213 HydrophobicContact SD-CG2 4.11Å
157	V	80.8	Confident	84.5	Confident	22 Å²	22	32.4 Å²	32.4	13%	0.133	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-49	179.6	170.6	0	0	0	0	110.6	V153 S154 L155 Q159 S160 I161 F375	V153-V157 HydrophobicContact CG1-CG2 4.11Å; V153-V157 WeakPolarHBondContact O-CB 3.33Å; V153-V157 VanDerWaalsContact O-CG2 3.27Å; V153-V157 WeakPolarHBondContact O-CG2 3.3Å; V153-V157 PolarHBondContact O-N 3.36Å; S154-V157 PolarHBondContact O-N 2.97Å; L155-V157 VanDerWaalsContact C-N 3.33Å; L155-V157 PolarHBondContact O-N 3.48Å; V157-Q159 VanDerWaalsContact C-N 3.33Å; V157-Q159 PolarHBondContact O-N 3.06Å; V157-S160 WeakPolarHBondContact O-CB 3.48Å; V157-S160 PolarHBondContact O-N 3.24Å; V157-S160 VanDerWaalsContact O-N 3.09Å; V157-S160 PolarHBondContact O-OG 2.93Å; V157-I161 HydrophobicContact CG1-CD1 3.83Å; V157-I161 HydrophobicContact CG1-CG1 4.4Å; V157-I161 WeakPolarHBondContact O-CG1 3.42Å; V157-I161 PolarHBondContact O-N 2.78Å; V157-F375 HydrophobicContact CG1-CD2 3.99Å; V157-F375 HydrophobicContact CG1-CE2 3.53Å
158	D	77.9	Confident	84	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-40.7	179.5	-68.6	-16.2	0	0	0	111.7	S154 L155 S160 I161 N162 G402	S154-D158 WeakPolarHBondContact O-CB 3.4Å; S154-D158 PolarHBondContact O-N 3.49Å; L155-D158 PolarHBondContact O-N 3.09Å; D158-S160 VanDerWaalsContact C-N 3.34Å; D158-S160 PolarHBondContact O-N 3.49Å; D158-I161 PolarHBondContact O-N 3.3Å; D158-N162 PolarHBondContact O-N 3.12Å; D158-G402 VanDerWaalsContact CB-CA 3.48Å; D158-G402 PolarHBondContact OD2-N 2.95Å
159	Q	84.8	Confident	83.6	Confident	7 Å²	7	41 Å²	41	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-39.6	173.8	-74.9	-175.3	31	0	0	112.1	S121 Y124 L155 M156 V157 N162 L163 Y211	S121-Q159 PolarHBondContact OG-NE2 2.89Å; Y124-Q159 PolarHBondContact OH-NE2 2.8Å; Y124-Q159 PolarHBondContact OH-OE1 2.89Å; L155-Q159 HydrophobicContact CD1-CG 4.02Å; L155-Q159 VanDerWaalsContact CD1-NE2 3.27Å; L155-Q159 WeakPolarHBondContact O-CB 3.35Å; L155-Q159 WeakPolarHBondContact O-CG 3.34Å; L155-Q159 PolarHBondContact O-N 3.02Å; M156-Q159 PolarHBondContact O-N 3.43Å; V157-Q159 VanDerWaalsContact C-N 3.33Å; V157-Q159 PolarHBondContact O-N 3.06Å; Q159-N162 PolarHBondContact O-N 2.96Å; Q159-L163 WeakPolarHBondContact O-CG 3.31Å; Q159-L163 PolarHBondContact O-N 3.38Å; Q159-L163 VanDerWaalsContact O-N 3.08Å; Q159-Y211 HydrophobicContact CB-CE1 4.21Å; Q159-Y211 VanDerWaalsContact OE1-CZ 3.29Å; Q159-Y211 PolarHBondContact OE1-OH 3.06Å
160	S	85.9	Confident	83.1	Confident	24 Å²	24	45.6 Å²	45.6	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-45.4	175.5	78.6	0	0	0	0	111.6	M156 V157 D158 N162 L163 T164	M156-S160 WeakPolarHBondContact O-CB 3.47Å; M156-S160 PolarHBondContact O-N 2.94Å; V157-S160 WeakPolarHBondContact O-CB 3.48Å; V157-S160 PolarHBondContact O-N 3.24Å; V157-S160 VanDerWaalsContact O-N 3.09Å; V157-S160 PolarHBondContact O-OG 2.93Å; D158-S160 VanDerWaalsContact C-N 3.34Å; D158-S160 PolarHBondContact O-N 3.49Å; S160-N162 VanDerWaalsContact C-N 3.32Å; S160-N162 PolarHBondContact O-N 3.02Å; S160-L163 PolarHBondContact O-N 3.47Å; S160-T164 WeakPolarHBondContact O-CG2 3.28Å; S160-T164 PolarHBondContact O-N 3.32Å; S160-T164 VanDerWaalsContact O-N 3.09Å
161	I	80.6	Confident	83	Confident	34 Å²	34	48.8 Å²	48.8	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-42.5	177.2	-66.3	166.4	0	0	0	110.3	V157 D158 L163 T164 F375	V157-I161 HydrophobicContact CG1-CD1 3.83Å; V157-I161 HydrophobicContact CG1-CG1 4.4Å; V157-I161 WeakPolarHBondContact O-CG1 3.42Å; V157-I161 PolarHBondContact O-N 2.78Å; D158-I161 PolarHBondContact O-N 3.3Å; I161-L163 PolarHBondContact O-N 3.28Å; I161-T164 PolarHBondContact O-N 3.48Å; I161-T164 PolarHBondContact O-OG1 3.4Å; I161-F375 HydrophobicContact CD1-CE2 3.68Å; I161-F375 HydrophobicContact CD1-CZ 3.82Å; I161-F375 HydrophobicContact CG1-CE2 4.29Å; I161-F375 HydrophobicContact CG1-CZ 4.14Å
162	N	80.7	Confident	83.5	Confident	27 Å²	27	49 Å²	49	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-41.9	178.4	-74.3	-19.4	0	0	0	112.4	D158 Q159 S160 T164 R165 G402	D158-N162 PolarHBondContact O-N 3.12Å; Q159-N162 PolarHBondContact O-N 2.96Å; S160-N162 VanDerWaalsContact C-N 3.32Å; S160-N162 PolarHBondContact O-N 3.02Å; N162-T164 VanDerWaalsContact C-N 3.31Å; N162-T164 PolarHBondContact O-N 2.81Å; N162-R165 WeakPolarHBondContact O-CB 3.46Å; N162-R165 WeakPolarHBondContact O-CG 3.22Å; N162-R165 PolarHBondContact O-N 3.49Å; N162-G402 PolarHBondContact ND2-O 2.91Å
163	L	86.6	Confident	84.2	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-27.6	179.9	-72.2	169.2	0	0	0	113	F88 Q125 Q159 S160 I161 R165 Y166 L168 I173 L209 Y211	F88-L163 HydrophobicContact CE1-CD2 4.02Å; F88-L163 HydrophobicContact CZ-CD2 4.31Å; Q125-L163 HydrophobicContact CG-CD1 4.25Å; Q125-L163 HydrophobicContact CG-CD2 4.48Å; Q159-L163 WeakPolarHBondContact O-CG 3.31Å; Q159-L163 PolarHBondContact O-N 3.38Å; Q159-L163 VanDerWaalsContact O-N 3.08Å; S160-L163 PolarHBondContact O-N 3.47Å; I161-L163 PolarHBondContact O-N 3.28Å; L163-R165 PolarHBondContact O-N 3.24Å; L163-Y166 HydrophobicContact CD2-CD2 4.16Å; L163-Y166 HydrophobicContact CD2-CE2 4.29Å; L163-Y166 PolarHBondContact O-N 3.14Å; L163-Y166 VanDerWaalsContact O-N 3.12Å; L163-L168 HydrophobicContact CB-CD1 4.14Å; L163-I173 HydrophobicContact CB-CD1 3.28Å; L163-I173 HydrophobicContact CD1-CD1 3.52Å; L163-I173 HydrophobicContact CD1-CG1 4.22Å; L163-I173 HydrophobicContact CG-CD1 4.01Å; L163-L209 HydrophobicContact CD1-CD1 3.71Å; L163-Y211 HydrophobicContact CD1-CE2 4.47Å
164	T	81.5	Confident	84.9	Confident	100 Å²	100	45.4 Å²	45.4	61%	0.613	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61.4	-15.1	175.2	60.6	0	0	0	0	114	S160 I161 N162 Y166	S160-T164 WeakPolarHBondContact O-CG2 3.28Å; S160-T164 PolarHBondContact O-N 3.32Å; S160-T164 VanDerWaalsContact O-N 3.09Å; I161-T164 PolarHBondContact O-N 3.48Å; I161-T164 PolarHBondContact O-OG1 3.4Å; N162-T164 VanDerWaalsContact C-N 3.31Å; N162-T164 PolarHBondContact O-N 2.81Å; T164-Y166 VanDerWaalsContact C-N 3.27Å; T164-Y166 PolarHBondContact O-N 2.64Å
165	R	81.8	Confident	85.9	Confident	134 Å²	134	45.7 Å²	45.7	51%	0.506	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-72.7	-19.5	177.1	-58	176.2	-175.1	-169	1.1	113.2	N162 L163 S167	N162-R165 WeakPolarHBondContact O-CB 3.46Å; N162-R165 WeakPolarHBondContact O-CG 3.22Å; N162-R165 PolarHBondContact O-N 3.49Å; L163-R165 PolarHBondContact O-N 3.24Å; R165-S167 VanDerWaalsContact C-N 3.28Å; R165-S167 PolarHBondContact O-N 3.36Å
166	Y	85.3	Confident	86.5	Confident	78 Å²	78	45.6 Å²	45.6	31%	0.306	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-89.3	19.2	-176.1	-60.6	-60.1	0	0	0	113.9	V87 F88 L163 T164 L168	V87-Y166 HydrophobicContact CG1-CG 4.27Å; V87-Y166 WeakPolarHBondContact O-CD1 3.34Å; V87-Y166 WeakPolarHBondContact O-CE1 3.3Å; F88-Y166 AromaticContact CD1-CE2 3.83Å; F88-Y166 HydrophobicContact CD1-CE2 3.83Å; F88-Y166 AromaticContact CD1-CZ 3.94Å; F88-Y166 HydrophobicContact CE1-CE2 4.06Å; L163-Y166 HydrophobicContact CD2-CD2 4.16Å; L163-Y166 HydrophobicContact CD2-CE2 4.29Å; L163-Y166 PolarHBondContact O-N 3.14Å; L163-Y166 VanDerWaalsContact O-N 3.12Å; T164-Y166 VanDerWaalsContact C-N 3.27Å; T164-Y166 PolarHBondContact O-N 2.64Å; Y166-L168 PolarHBondContact O-N 2.99Å; Y166-L168 VanDerWaalsContact O-N 3.12Å
167	S	83.5	Confident	86.8	Confident	114 Å²	114	46 Å²	46	80%	0.797	25%	0.248	S	C	*	.			trans	47.7	42.4	180	-60	0	0	0	0	113.3	R165	R165-S167 VanDerWaalsContact C-N 3.28Å; R165-S167 PolarHBondContact O-N 3.36Å
168	L	88.3	Confident	87.1	Confident	45 Å²	45	48.8 Å²	48.8	24%	0.236	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-68.4	145.4	178.4	-58.1	176.2	0	0	0	110	V87 L129 L163 Y166 T172 I173	V87-L168 HydrophobicContact CG1-CD2 4Å; L129-L168 HydrophobicContact CD1-CD1 4.34Å; L129-L168 HydrophobicContact CD1-CD2 4.07Å; L129-L168 HydrophobicContact CD2-CD1 4.43Å; L129-L168 HydrophobicContact CD2-CD2 4.35Å; L163-L168 HydrophobicContact CB-CD1 4.14Å; Y166-L168 PolarHBondContact O-N 2.99Å; Y166-L168 VanDerWaalsContact O-N 3.12Å; L168-T172 HydrophobicContact CB-CG2 4.33Å; L168-T172 HydrophobicContact CD1-CG2 4.27Å; L168-I173 HydrophobicContact CD1-CD1 3.51Å; L168-I173 HydrophobicContact CD1-CG1 4.38Å
169	E	87.8	Confident	87.5	Confident	137 Å²	137	55.2 Å²	55.2	64%	0.64	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-53.2	148.5	175.2	-73	-66.2	146.8	0	0	111.3	T172 N206	E169-T172 WeakPolarHBondContact O-CB 3.41Å; E169-T172 PolarHBondContact O-N 3.2Å; E169-T172 PolarHBondContact O-OG1 3.2Å; E169-N206 WeakPolarHBondContact CB-ND2 3.19Å
170	P	87	Confident	87.7	Confident	95 Å²	95	55.6 Å²	55.6	62%	0.617	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	146.7	175.5	-26	34.8	0	0	0	112	T172 N206	P170-T172 PolarHBondContact O-N 2.61Å; P170-T172 VanDerWaalsContact O-N 3.1Å; P170-N206 PolarHBondContact O-ND2 2.88Å
171	D	89.4	Confident	88	Confident	68 Å²	68	58.7 Å²	58.7	36%	0.364	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	8	178.8	-59.3	-21.4	0	0	0	116.4	I173 R187 L191 L207	D171-I173 PolarHBondContact O-N 3.24Å; D171-R187 IonicContact OD1-CZ 2.89Å; D171-R187 IonicContact OD1-NH1 3.65Å; D171-R187 PolarHBondContact OD1-NH1 3.31Å; D171-R187 IonicContact OD1-NH2 3.22Å; D171-R187 IonicContact OD2-NH1 2.71Å; D171-R187 PolarHBondContact OD2-NH1 2.87Å; D171-L191 HydrophobicContact CB-CD1 3.9Å; D171-L191 HydrophobicContact CB-CD2 4.42Å; D171-L207 WeakPolarHBondContact O-CA 3.08Å; D171-L207 WeakPolarHBondContact O-CD1 3.44Å; D171-L207 PolarHBondContact O-N 3.22Å
172	T	93.1	Very high	88.5	Confident	8 Å²	8	63 Å²	63	5%	0.049	35%	0.352	C	S	.	.	S	Bend	trans	-58.7	-34.4	174.2	-59.6	0	0	0	0	112.2	L129 L168 E169 P170 N206 R208 L209	L129-T172 HydrophobicContact CD2-CG2 3.63Å; L168-T172 HydrophobicContact CB-CG2 4.33Å; L168-T172 HydrophobicContact CD1-CG2 4.27Å; E169-T172 WeakPolarHBondContact O-CB 3.41Å; E169-T172 PolarHBondContact O-N 3.2Å; E169-T172 PolarHBondContact O-OG1 3.2Å; P170-T172 PolarHBondContact O-N 2.61Å; P170-T172 VanDerWaalsContact O-N 3.1Å; T172-N206 WeakPolarHBondContact CA-O 3.44Å; T172-N206 PolarHBondContact OG1-ND2 3.08Å; T172-R208 HydrophobicContact CG2-CB 3.92Å; T172-R208 HydrophobicContact CG2-CG 3.81Å; T172-R208 PolarHBondContact O-N 3.04Å; T172-L209 PolarHBondContact O-N 3.04Å
173	I	94.2	Very high	89.1	Confident	30 Å²	30	69.8 Å²	69.8	15%	0.154	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.8	-174.7	-57.7	156.8	0	0	0	109.3	L163 L168 D171 L209 Y211	L163-I173 HydrophobicContact CB-CD1 3.28Å; L163-I173 HydrophobicContact CD1-CD1 3.52Å; L163-I173 HydrophobicContact CD1-CG1 4.22Å; L163-I173 HydrophobicContact CG-CD1 4.01Å; L168-I173 HydrophobicContact CD1-CD1 3.51Å; L168-I173 HydrophobicContact CD1-CG1 4.38Å; D171-I173 PolarHBondContact O-N 3.24Å; I173-L209 WeakPolarHBondContact CA-O 3.39Å; I173-L209 HydrophobicContact CG1-CB 4.13Å; I173-L209 HydrophobicContact CG1-CD1 4.18Å; I173-L209 HydrophobicContact CG2-CB 4.34Å; I173-Y211 HydrophobicContact CG2-CD2 3.99Å; I173-Y211 HydrophobicContact CG2-CE2 3.91Å
174	A	94.2	Very high	89.4	Confident	4 Å²	4	72.6 Å²	72.6	3%	0.033	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.5	171.4	0	0	0	0	0	111.3	I188 L207 L209 L210 Y211	A174-I188 HydrophobicContact CB-CD1 3.92Å; A174-I188 HydrophobicContact CB-CG1 3.82Å; A174-I188 HydrophobicContact CB-CG2 4.09Å; A174-L207 HydrophobicContact CB-CD1 3.59Å; A174-L209 PolarHBondContact N-O 3.35Å; A174-L210 HydrophobicContact CB-CD1 4.01Å; A174-Y211 PolarHBondContact O-N 3.33Å
175	V	93.6	Very high	90	Very high	24 Å²	24	69.4 Å²	69.4	15%	0.145	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.8	174.4	-176.2	0	0	0	0	108.4	M156 I188 Y211	M156-V175 HydrophobicContact CB-CG1 3.86Å; M156-V175 HydrophobicContact CE-CG1 3.44Å; M156-V175 VanDerWaalsContact CE-CG1 3.44Å; M156-V175 HydrophobicContact SD-CG1 4.41Å; V175-I188 VanDerWaalsContact O-CD1 3.31Å; V175-I188 WeakPolarHBondContact O-CD1 3.47Å; V175-Y211 HydrophobicContact CG2-CD2 4.39Å
176	L	94.1	Very high	90.6	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.005	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	109.2	-177.9	-176.2	61.1	0	0	0	111.2	T180 Q185 I188 L210 Y211 V212 K216 L223	L176-T180 HydrophobicContact CD1-CG2 4.21Å; L176-Q185 HydrophobicContact CD1-CB 4.16Å; L176-Q185 HydrophobicContact CD1-CG 3.7Å; L176-I188 HydrophobicContact CB-CD1 4.34Å; L176-I188 HydrophobicContact CD1-CD1 4.4Å; L176-I188 HydrophobicContact CD2-CG2 4.39Å; L176-L210 HydrophobicContact CB-CD1 4.07Å; L176-Y211 PolarHBondContact N-O 2.84Å; L176-V212 WeakPolarHBondContact O-CA 3.34Å; L176-V212 WeakPolarHBondContact O-CG2 3.39Å; L176-K216 HydrophobicContact CG-CG 4.13Å; L176-L223 HydrophobicContact CD2-CD1 3.96Å; L176-L223 HydrophobicContact CD2-CD2 3.93Å; L176-L223 HydrophobicContact CD2-CG 4.46Å
177	D	91.4	Very high	91	Very high	10 Å²	10	71.6 Å²	71.6	5%	0.053	38%	0.382	C	S	.	.			trans	-132.2	-164.9	178.5	62.8	60.1	0	0	0	111.6	V153 M156 N179 T180 T213 K216	V153-D177 WeakPolarHBondContact CG1-OD2 3.49Å; V153-D177 HydrophobicContact CG2-CB 3.78Å; M156-D177 HydrophobicContact CE-CB 3.89Å; D177-N179 VanDerWaalsContact OD1-CA 3.29Å; D177-N179 WeakPolarHBondContact OD1-CA 3.36Å; D177-N179 WeakPolarHBondContact OD1-CB 3.46Å; D177-N179 PolarHBondContact OD1-N 3.45Å; D177-T180 PolarHBondContact N-OG1 3.46Å; D177-T180 PolarHBondContact OD1-N 2.94Å; D177-T180 PolarHBondContact OD1-OG1 3.29Å; D177-T213 HydrophobicContact CB-CG2 3.7Å; D177-K216 WeakPolarHBondContact O-CD 3.46Å; D177-K216 WeakPolarHBondContact O-CE 3.36Å; D177-K216 PolarHBondContact O-NZ 3.44Å
178	A	87	Confident	91.5	Very high	79 Å²	79	66.1 Å²	66.1	65%	0.653	34%	0.344	S	S	*	.	S	Bend	trans	-74.1	-28.9	179.4	0	0	0	0	0	113.5
179	N	86.9	Confident	91.7	Very high	139 Å²	139	64.8 Å²	64.8	74%	0.743	34%	0.337	S	S	*	.	S	Bend	trans	-94.5	-9.6	-176.8	-61.5	-31.9	0	0	0	113.1	D177 P181	D177-N179 VanDerWaalsContact OD1-CA 3.29Å; D177-N179 WeakPolarHBondContact OD1-CA 3.36Å; D177-N179 WeakPolarHBondContact OD1-CB 3.46Å; D177-N179 PolarHBondContact OD1-N 3.45Å; N179-P181 WeakPolarHBondContact O-CD 3.24Å
180	T	89	Confident	91.9	Very high	15 Å²	15	61.1 Å²	61.1	9%	0.092	33%	0.326	C	S	.	.	S	Bend	trans	-53.6	124.9	174.3	-50.8	0	0	0	0	110.5	L176 D177 E184 Q185 I188	L176-T180 HydrophobicContact CD1-CG2 4.21Å; D177-T180 PolarHBondContact N-OG1 3.46Å; D177-T180 PolarHBondContact OD1-N 2.94Å; D177-T180 PolarHBondContact OD1-OG1 3.29Å; T180-E184 HydrophobicContact CG2-CB 3.87Å; T180-E184 HydrophobicContact CG2-CG 3.65Å; T180-Q185 HydrophobicContact CG2-CG 3.78Å; T180-Q185 WeakPolarHBondContact O-CG 3.48Å; T180-Q185 PolarHBondContact O-NE2 3.01Å; T180-I188 HydrophobicContact CG2-CD1 4.41Å
181	P	91.5	Very high	92.1	Very high	89 Å²	89	57.1 Å²	57.1	58%	0.578	30%	0.299	S	S	*	.			trans	-57.2	146	-179.8	-27.2	35.3	0	0	0	112.9	N179 Q183 E184 Q185	N179-P181 WeakPolarHBondContact O-CD 3.24Å; P181-Q183 VanDerWaalsContact C-N 3.25Å; P181-Q183 PolarHBondContact O-N 3.36Å; P181-Q183 VanDerWaalsContact O-N 3.15Å; P181-E184 WeakPolarHBondContact O-CB 3.28Å; P181-E184 PolarHBondContact O-N 3.12Å; P181-Q185 WeakPolarHBondContact O-CG 3.44Å; P181-Q185 PolarHBondContact O-N 2.95Å
182	L	92.1	Very high	92.2	Very high	125 Å²	125	53.9 Å²	53.9	65%	0.654	28%	0.282	S	S	*	.	H	α-helix	trans	-55.7	-37	-175.4	-73.2	172.8	0	0	0	113.9	Q185 R186	L182-Q185 PolarHBondContact O-N 3.21Å; L182-R186 WeakPolarHBondContact O-CG 3.28Å; L182-R186 PolarHBondContact O-N 3.21Å
183	Q	92.8	Very high	91.7	Very high	169 Å²	169	54.9 Å²	54.9	79%	0.79	29%	0.291	S	S	*	.	H	α-helix	trans	-62.8	-44.3	176.6	-174.4	175.9	12.2	0	0	111.3	P181 R186 R187	P181-Q183 VanDerWaalsContact C-N 3.25Å; P181-Q183 PolarHBondContact O-N 3.36Å; P181-Q183 VanDerWaalsContact O-N 3.15Å; Q183-R186 PolarHBondContact O-N 3.05Å; Q183-R187 PolarHBondContact O-N 2.82Å; Q183-R187 VanDerWaalsContact O-N 3.08Å
184	E	93.2	Very high	90.8	Very high	61 Å²	61	56.5 Å²	56.5	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-68.5	-40	178.4	-177.9	59	-167.7	0	0	111.5	T180 P181 R186 R187 I188	T180-E184 HydrophobicContact CG2-CB 3.87Å; T180-E184 HydrophobicContact CG2-CG 3.65Å; P181-E184 WeakPolarHBondContact O-CB 3.28Å; P181-E184 PolarHBondContact O-N 3.12Å; E184-R186 VanDerWaalsContact C-N 3.33Å; E184-R186 PolarHBondContact O-N 2.8Å; E184-R187 WeakPolarHBondContact O-CB 3.37Å; E184-R187 PolarHBondContact O-N 3.45Å; E184-R187 IonicContact OE1-CZ 3.69Å; E184-R187 IonicContact OE1-NE 2.86Å; E184-R187 PolarHBondContact OE1-NE 3.4Å; E184-R187 IonicContact OE1-NH2 2.76Å; E184-R187 PolarHBondContact OE1-NH2 3.5Å; E184-R187 IonicContact OE2-CZ 3.92Å; E184-R187 IonicContact OE2-NE 3.37Å; E184-R187 PolarHBondContact OE2-NE 3.39Å; E184-R187 IonicContact OE2-NH2 3.22Å; E184-I188 HydrophobicContact CG-CD1 4Å; E184-I188 WeakPolarHBondContact O-CG1 3.37Å; E184-I188 PolarHBondContact O-N 3.34Å
185	Q	94.2	Very high	89.4	Confident	32 Å²	32	64.1 Å²	64.1	15%	0.15	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-45.4	173	-62.8	-171	39.9	0	0	111.8	L176 T180 P181 L182 R187 I188 L189 K216	L176-Q185 HydrophobicContact CD1-CB 4.16Å; L176-Q185 HydrophobicContact CD1-CG 3.7Å; T180-Q185 HydrophobicContact CG2-CG 3.78Å; T180-Q185 WeakPolarHBondContact O-CG 3.48Å; T180-Q185 PolarHBondContact O-NE2 3.01Å; P181-Q185 WeakPolarHBondContact O-CG 3.44Å; P181-Q185 PolarHBondContact O-N 2.95Å; L182-Q185 PolarHBondContact O-N 3.21Å; Q185-R187 VanDerWaalsContact C-N 3.32Å; Q185-R187 PolarHBondContact O-N 3.43Å; Q185-I188 PolarHBondContact O-N 3.02Å; Q185-L189 WeakPolarHBondContact O-CB 3.46Å; Q185-L189 WeakPolarHBondContact O-CD1 3.45Å; Q185-L189 WeakPolarHBondContact O-CG 3.47Å; Q185-L189 PolarHBondContact O-N 2.89Å; Q185-K216 VanDerWaalsContact CD-NZ 3.34Å
186	R	93.2	Very high	87.8	Confident	187 Å²	187	65.6 Å²	65.6	71%	0.706	34%	0.34	S	S	*	.	H	α-helix	trans	-61	-42.4	177.8	-74.3	175.6	-178.2	175.3	1.6	111.4	L182 Q183 E184 L189 S190	L182-R186 WeakPolarHBondContact O-CG 3.28Å; L182-R186 PolarHBondContact O-N 3.21Å; Q183-R186 PolarHBondContact O-N 3.05Å; E184-R186 VanDerWaalsContact C-N 3.33Å; E184-R186 PolarHBondContact O-N 2.8Å; R186-L189 PolarHBondContact O-N 3.3Å; R186-S190 PolarHBondContact O-N 2.6Å; R186-S190 PolarHBondContact O-OG 3.46Å
187	R	93.9	Very high	85.8	Confident	71 Å²	71	68.3 Å²	68.3	27%	0.268	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-48.2	178	-167.4	-168.1	71.5	79.5	-3.8	112.1	D171 Q183 E184 Q185 L189 S190 L191	D171-R187 IonicContact OD1-CZ 2.89Å; D171-R187 IonicContact OD1-NH1 3.65Å; D171-R187 PolarHBondContact OD1-NH1 3.31Å; D171-R187 IonicContact OD1-NH2 3.22Å; D171-R187 IonicContact OD2-NH1 2.71Å; D171-R187 PolarHBondContact OD2-NH1 2.87Å; Q183-R187 PolarHBondContact O-N 2.82Å; Q183-R187 VanDerWaalsContact O-N 3.08Å; E184-R187 WeakPolarHBondContact O-CB 3.37Å; E184-R187 PolarHBondContact O-N 3.45Å; E184-R187 IonicContact OE1-CZ 3.69Å; E184-R187 IonicContact OE1-NE 2.86Å; E184-R187 PolarHBondContact OE1-NE 3.4Å; E184-R187 IonicContact OE1-NH2 2.76Å; E184-R187 PolarHBondContact OE1-NH2 3.5Å; E184-R187 IonicContact OE2-CZ 3.92Å; E184-R187 IonicContact OE2-NE 3.37Å; E184-R187 PolarHBondContact OE2-NE 3.39Å; E184-R187 IonicContact OE2-NH2 3.22Å; Q185-R187 VanDerWaalsContact C-N 3.32Å; Q185-R187 PolarHBondContact O-N 3.43Å; R187-L189 VanDerWaalsContact C-N 3.35Å; R187-L189 PolarHBondContact O-N 3.43Å; R187-S190 WeakPolarHBondContact CA-OG 3.17Å; R187-S190 PolarHBondContact O-N 3.46Å; R187-S190 PolarHBondContact O-OG 3.2Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 2.81Å
188	I	94.3	Very high	83.8	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-61.8	-44.7	177.2	-64.1	168.9	0	0	0	110.5	A174 V175 L176 T180 E184 Q185 S190 L191 L192 L210	A174-I188 HydrophobicContact CB-CD1 3.92Å; A174-I188 HydrophobicContact CB-CG1 3.82Å; A174-I188 HydrophobicContact CB-CG2 4.09Å; V175-I188 VanDerWaalsContact O-CD1 3.31Å; V175-I188 WeakPolarHBondContact O-CD1 3.47Å; L176-I188 HydrophobicContact CB-CD1 4.34Å; L176-I188 HydrophobicContact CD1-CD1 4.4Å; L176-I188 HydrophobicContact CD2-CG2 4.39Å; T180-I188 HydrophobicContact CG2-CD1 4.41Å; E184-I188 HydrophobicContact CG-CD1 4Å; E184-I188 WeakPolarHBondContact O-CG1 3.37Å; E184-I188 PolarHBondContact O-N 3.34Å; Q185-I188 PolarHBondContact O-N 3.02Å; I188-S190 VanDerWaalsContact C-N 3.3Å; I188-S190 PolarHBondContact O-N 3.03Å; I188-L191 PolarHBondContact O-N 2.95Å; I188-L192 PolarHBondContact O-N 3.1Å; I188-L210 HydrophobicContact CG2-CD1 3.74Å
189	L	93.5	Very high	82.1	Confident	17 Å²	17	80.2 Å²	80.2	9%	0.089	41%	0.406	C	S	.	.	H	α-helix	trans	-67.2	-28.6	178.8	-67.9	170.1	0	0	0	113	Q185 R186 R187 L192 A193 L222 L223 R226	Q185-L189 WeakPolarHBondContact O-CB 3.46Å; Q185-L189 WeakPolarHBondContact O-CD1 3.45Å; Q185-L189 WeakPolarHBondContact O-CG 3.47Å; Q185-L189 PolarHBondContact O-N 2.89Å; R186-L189 PolarHBondContact O-N 3.3Å; R187-L189 VanDerWaalsContact C-N 3.35Å; R187-L189 PolarHBondContact O-N 3.43Å; L189-L192 HydrophobicContact CD2-CD1 4.4Å; L189-A193 PolarHBondContact O-N 2.97Å; L189-L222 HydrophobicContact CD1-CD2 3.66Å; L189-L222 HydrophobicContact CD1-CG 4.05Å; L189-L223 HydrophobicContact CD2-CB 4.24Å; L189-L223 HydrophobicContact CD2-CD1 4.02Å; L189-R226 HydrophobicContact CD2-CG 4.18Å
190	S	90.7	Very high	80	Confident	60 Å²	60	78.4 Å²	78.4	42%	0.42	40%	0.397	S	S	.	.	H	α-helix	trans	-71.4	-40.7	172.2	55.2	0	0	0	0	112.1	R186 R187 I188 L192 A193 E194	R186-S190 PolarHBondContact O-N 2.6Å; R186-S190 PolarHBondContact O-OG 3.46Å; R187-S190 WeakPolarHBondContact CA-OG 3.17Å; R187-S190 PolarHBondContact O-N 3.46Å; R187-S190 PolarHBondContact O-OG 3.2Å; I188-S190 VanDerWaalsContact C-N 3.3Å; I188-S190 PolarHBondContact O-N 3.03Å; S190-L192 PolarHBondContact O-N 3.38Å; S190-A193 WeakPolarHBondContact O-CA 3.25Å; S190-A193 WeakPolarHBondContact O-CB 3.35Å; S190-A193 PolarHBondContact O-N 3.43Å; S190-E194 PolarHBondContact O-N 2.93Å; S190-E194 VanDerWaalsContact O-N 3.16Å
191	L	90.9	Very high	78.1	Confident	10 Å²	10	82.8 Å²	82.8	5%	0.052	43%	0.434	C	S	.	.	H	α-helix	trans	-58.3	-37.8	175.1	-69	172.9	0	0	0	112	D171 R187 I188 A193 S205 L207 R235	D171-L191 HydrophobicContact CB-CD1 3.9Å; D171-L191 HydrophobicContact CB-CD2 4.42Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 2.81Å; I188-L191 PolarHBondContact O-N 2.95Å; L191-A193 VanDerWaalsContact C-N 3.33Å; L191-S205 VanDerWaalsContact O-CB 3.28Å; L191-S205 WeakPolarHBondContact O-CB 3.33Å; L191-S205 PolarHBondContact O-OG 3.08Å; L191-L207 HydrophobicContact CB-CB 4.42Å; L191-L207 HydrophobicContact CB-CD2 4.29Å; L191-R235 PolarHBondContact O-NH2 3.41Å
192	L	91.9	Very high	76.1	Confident	1 Å²	1	82 Å²	82	1%	0.005	43%	0.431	C	S	.	.	H	α-helix	trans	-68.4	-32.4	173.8	-64.1	173.1	0	0	0	112.9	L145 I188 L189 S190 L207 L210 L223 R226 V230 R235	L145-L192 HydrophobicContact CD2-CD2 3.6Å; I188-L192 PolarHBondContact O-N 3.1Å; L189-L192 HydrophobicContact CD2-CD1 4.4Å; S190-L192 PolarHBondContact O-N 3.38Å; L192-L207 HydrophobicContact CD2-CD2 3.76Å; L192-L207 HydrophobicContact CG-CD2 4.23Å; L192-L210 HydrophobicContact CD1-CD2 3.86Å; L192-L210 HydrophobicContact CD2-CD2 4.11Å; L192-L210 HydrophobicContact CG-CD2 4.48Å; L192-L223 HydrophobicContact CD1-CD1 3.68Å; L192-R226 HydrophobicContact CB-CB 3.91Å; L192-R226 HydrophobicContact CD1-CB 4.06Å; L192-V230 HydrophobicContact CB-CG2 4.08Å; L192-V230 HydrophobicContact CD2-CG2 3.99Å; L192-V230 WeakPolarHBondContact O-CG2 3.45Å; L192-R235 PolarHBondContact O-NH2 3.34Å
193	A	82	Confident	74.4	Confident	29 Å²	29	77.5 Å²	77.5	24%	0.24	41%	0.408	C	S	.	.	H	α-helix	trans	-79.5	-15.8	-176.4	0	0	0	0	0	114.1	L189 S190 L191 K195	L189-A193 PolarHBondContact O-N 2.97Å; S190-A193 WeakPolarHBondContact O-CA 3.25Å; S190-A193 WeakPolarHBondContact O-CB 3.35Å; S190-A193 PolarHBondContact O-N 3.43Å; L191-A193 VanDerWaalsContact C-N 3.33Å; A193-K195 PolarHBondContact O-N 3.07Å; A193-K195 VanDerWaalsContact O-N 3.17Å
194	E	75.8	Confident	73.1	Confident	63 Å²	63	78.6 Å²	78.6	29%	0.294	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-60.2	119.8	-176.8	-73	-171.3	-179.9	0	0	111.3	S190 T203 K204 S205	S190-E194 PolarHBondContact O-N 2.93Å; S190-E194 VanDerWaalsContact O-N 3.16Å; E194-T203 WeakPolarHBondContact O-CG2 3.45Å; E194-K204 VanDerWaalsContact OE2-C 3.3Å; E194-K204 WeakPolarHBondContact OE2-CB 3.46Å; E194-S205 VanDerWaalsContact OE2-CA 3.24Å; E194-S205 WeakPolarHBondContact OE2-CA 3.46Å; E194-S205 WeakPolarHBondContact OE2-CB 3.37Å; E194-S205 PolarHBondContact OE2-N 3.01Å
195	K	65.8	Low	72.4	Confident	165 Å²	165	75.9 Å²	75.9	72%	0.717	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-82.2	147.2	176.1	-67.1	-176.6	179.1	-179	0	109.9	A193 S197	A193-K195 PolarHBondContact O-N 3.07Å; A193-K195 VanDerWaalsContact O-N 3.17Å; K195-S197 PolarHBondContact O-N 3.45Å
196	P	59.2	Low	72.1	Confident	54 Å²	54	76.4 Å²	76.4	35%	0.351	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-57.6	139.6	169	-5.3	12.4	0	0	0	109.8	T203	P196-T203 HydrophobicContact CB-CG2 4.07Å; P196-T203 HydrophobicContact CG-CG2 3.89Å
197	S	51.5	Low	72.1	Confident	59 Å²	59	67.5 Å²	67.5	41%	0.413	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-64.9	143.6	174.1	175.3	0	0	0	0	109.7	K195 T199 N200	K195-S197 PolarHBondContact O-N 3.45Å; S197-T199 PolarHBondContact O-N 3.22Å; S197-T199 PolarHBondContact OG-N 3.12Å; S197-T199 PolarHBondContact OG-OG1 3.46Å; S197-N200 PolarHBondContact N-O 3.25Å; S197-N200 CarbonylContact O-C 3.43Å; S197-N200 PolarHBondContact O-N 3.32Å
198	K	50.3	Low	72.2	Confident	220 Å²	220	67.1 Å²	67.1	96%	0.957	37%	0.367	S	S	*	.	S	Bend	trans	-60.3	-23.7	172.1	-72.4	-172.9	177.8	-177.5	0	112.8
199	T	51.2	Low	72.3	Confident	118 Å²	118	67.1 Å²	67.1	72%	0.724	37%	0.367	S	S	*	.	S	Bend	trans	-97.3	-21	-177.7	55.6	0	0	0	0	113.9	S197	S197-T199 PolarHBondContact O-N 3.22Å; S197-T199 PolarHBondContact OG-N 3.12Å; S197-T199 PolarHBondContact OG-OG1 3.46Å
200	N	43.8	Very low	72.5	Confident	102 Å²	102	66.3 Å²	66.3	55%	0.545	36%	0.363	S	S	.	.			trans	-134.6	113.6	179	-75.1	-25.9	0	0	0	108.4	S197 S202	S197-N200 PolarHBondContact N-O 3.25Å; S197-N200 CarbonylContact O-C 3.43Å; S197-N200 PolarHBondContact O-N 3.32Å; N200-S202 PolarHBondContact O-N 3.24Å
201	A	48.5	Very low	72.8	Confident	106 Å²	106	63.4 Å²	63.4	88%	0.876	34%	0.343	S	S	*	.	S	Bend	trans	-61.3	-8.8	179.7	0	0	0	0	0	113.9
202	S	49.8	Very low	73	Confident	74 Å²	74	63 Å²	63	52%	0.517	34%	0.34	S	S	.	.	S	Bend	trans	-82.8	119.8	171.2	46.9	0	0	0	0	111.4	N200	N200-S202 PolarHBondContact O-N 3.24Å
203	T	55.9	Low	73.1	Confident	29 Å²	29	63.2 Å²	63.2	18%	0.178	34%	0.342	C	S	.	.			trans	-57	140.8	162.3	30.9	0	0	0	0	110.6	E194 P196 S205 R235	E194-T203 WeakPolarHBondContact O-CG2 3.45Å; P196-T203 HydrophobicContact CB-CG2 4.07Å; P196-T203 HydrophobicContact CG-CG2 3.89Å; T203-S205 PolarHBondContact O-N 2.82Å; T203-R235 WeakPolarHBondContact OG1-CD 3.21Å
204	K	66.1	Low	73.5	Confident	193 Å²	193	61.9 Å²	61.9	84%	0.839	33%	0.331	S	S	*	.	S	Bend	trans	-68.7	-26.3	175.7	-153.5	179.4	-175.7	-175.7	0	112.2	E194 N206	E194-K204 VanDerWaalsContact OE2-C 3.3Å; E194-K204 WeakPolarHBondContact OE2-CB 3.46Å; K204-N206 PolarHBondContact O-N 3.31Å
205	S	78.3	Confident	74.2	Confident	4 Å²	4	60.8 Å²	60.8	3%	0.028	33%	0.326	C	S	.	.			trans	-61.6	114.1	177.8	154.4	0	0	0	0	111.5	L191 E194 T203 L207 R235	L191-S205 VanDerWaalsContact O-CB 3.28Å; L191-S205 WeakPolarHBondContact O-CB 3.33Å; L191-S205 PolarHBondContact O-OG 3.08Å; E194-S205 VanDerWaalsContact OE2-CA 3.24Å; E194-S205 WeakPolarHBondContact OE2-CA 3.46Å; E194-S205 WeakPolarHBondContact OE2-CB 3.37Å; E194-S205 PolarHBondContact OE2-N 3.01Å; T203-S205 PolarHBondContact O-N 2.82Å; S205-L207 VanDerWaalsContact C-N 3.28Å; S205-L207 PolarHBondContact O-N 3.41Å; S205-L207 PolarHBondContact OG-N 3.28Å; S205-R235 PolarHBondContact OG-NH1 3.15Å; S205-R235 VanDerWaalsContact OG-NH1 3.15Å
206	N	87.5	Confident	75.4	Confident	42 Å²	42	54.2 Å²	54.2	23%	0.225	30%	0.297	C	S	.	.			trans	-82.1	-1.2	173.8	-170.5	40.5	0	0	0	113.8	E169 P170 T172 K204 R208	E169-N206 WeakPolarHBondContact CB-ND2 3.19Å; P170-N206 PolarHBondContact O-ND2 2.88Å; T172-N206 WeakPolarHBondContact CA-O 3.44Å; T172-N206 PolarHBondContact OG1-ND2 3.08Å; K204-N206 PolarHBondContact O-N 3.31Å; N206-R208 WeakPolarHBondContact O-CG 3.45Å; N206-R208 PolarHBondContact O-N 2.88Å; N206-R208 VanDerWaalsContact O-N 3.08Å
207	L	93.9	Very high	77	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.281	C	S	.	.			trans	-60.1	114.1	-179.7	-172.3	64.6	0	0	0	112.4	L145 D171 A174 L191 L192 S205 L209 L210	L145-L207 HydrophobicContact CD1-CB 4.47Å; L145-L207 HydrophobicContact CD1-CD2 4.09Å; L145-L207 HydrophobicContact CD1-CG 3.77Å; D171-L207 WeakPolarHBondContact O-CA 3.08Å; D171-L207 WeakPolarHBondContact O-CD1 3.44Å; D171-L207 PolarHBondContact O-N 3.22Å; A174-L207 HydrophobicContact CB-CD1 3.59Å; L191-L207 HydrophobicContact CB-CB 4.42Å; L191-L207 HydrophobicContact CB-CD2 4.29Å; L192-L207 HydrophobicContact CD2-CD2 3.76Å; L192-L207 HydrophobicContact CG-CD2 4.23Å; S205-L207 VanDerWaalsContact C-N 3.28Å; S205-L207 PolarHBondContact O-N 3.41Å; S205-L207 PolarHBondContact OG-N 3.28Å; L207-L209 WeakPolarHBondContact CD1-O 3.41Å; L207-L210 HydrophobicContact CD2-CB 4.46Å
208	R	95	Very high	78.8	Confident	62 Å²	62	50.1 Å²	50.1	23%	0.234	27%	0.272	C	S	.	.			trans	-107.7	-36.1	178.7	-60.7	-53.8	-176.7	-170.9	4.7	113	A128 L129 S144 T146 T172 N206	A128-R208 HydrophobicContact CB-CB 4.41Å; A128-R208 VanDerWaalsContact O-CB 3.32Å; A128-R208 WeakPolarHBondContact O-CB 3.45Å; A128-R208 WeakPolarHBondContact O-CD 3.41Å; A128-R208 WeakPolarHBondContact O-CG 3.29Å; L129-R208 HydrophobicContact CD2-CB 4.3Å; L129-R208 HydrophobicContact CD2-CG 4.4Å; S144-R208 WeakPolarHBondContact O-CD 3.45Å; S144-R208 PolarHBondContact OG-NH1 3.13Å; T146-R208 PolarHBondContact N-O 3.48Å; T172-R208 HydrophobicContact CG2-CB 3.92Å; T172-R208 HydrophobicContact CG2-CG 3.81Å; T172-R208 PolarHBondContact O-N 3.04Å; N206-R208 WeakPolarHBondContact O-CG 3.45Å; N206-R208 PolarHBondContact O-N 2.88Å; N206-R208 VanDerWaalsContact O-N 3.08Å
209	L	97	Very high	80.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.5	-179.2	-75.7	162	0	0	0	110.2	Y124 Q125 A128 T146 V148 L163 T172 I173 A174 L207 Y211	Y124-L209 HydrophobicContact CD2-CD2 4.4Å; Q125-L209 HydrophobicContact CB-CD1 4.5Å; Q125-L209 HydrophobicContact CG-CD1 4.26Å; A128-L209 HydrophobicContact CB-CD1 4.25Å; A128-L209 HydrophobicContact CB-CD2 3.63Å; A128-L209 HydrophobicContact CB-CG 3.65Å; T146-L209 HydrophobicContact CG2-CD2 4.19Å; V148-L209 HydrophobicContact CG2-CD2 3.81Å; L163-L209 HydrophobicContact CD1-CD1 3.71Å; T172-L209 PolarHBondContact O-N 3.04Å; I173-L209 WeakPolarHBondContact CA-O 3.39Å; I173-L209 HydrophobicContact CG1-CB 4.13Å; I173-L209 HydrophobicContact CG1-CD1 4.18Å; I173-L209 HydrophobicContact CG2-CB 4.34Å; A174-L209 PolarHBondContact N-O 3.35Å; L207-L209 WeakPolarHBondContact CD1-O 3.41Å; L209-Y211 HydrophobicContact CB-CE2 4.23Å
210	L	97.3	Very high	82.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.2	170.8	175.9	60.5	0	0	0	109.6	L145 T146 L147 V148 A174 L176 I188 L192 L207 L223	L145-L210 HydrophobicContact CD1-CB 4.25Å; T146-L210 PolarHBondContact O-N 3.09Å; L147-L210 HydrophobicContact CD1-CB 4.3Å; L147-L210 HydrophobicContact CD1-CD2 3.94Å; L147-L210 HydrophobicContact CD1-CG 4.06Å; V148-L210 PolarHBondContact N-O 2.94Å; A174-L210 HydrophobicContact CB-CD1 4.01Å; L176-L210 HydrophobicContact CB-CD1 4.07Å; I188-L210 HydrophobicContact CG2-CD1 3.74Å; L192-L210 HydrophobicContact CD1-CD2 3.86Å; L192-L210 HydrophobicContact CD2-CD2 4.11Å; L192-L210 HydrophobicContact CG-CD2 4.48Å; L207-L210 HydrophobicContact CD2-CB 4.46Å; L210-L223 HydrophobicContact CD2-CD1 4.22Å
211	Y	96.9	Very high	85	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.8	170.7	-69.7	-86.5	0	0	0	110.4	Y124 Q125 V148 M156 Q159 L163 I173 A174 V175 L176 L209	Y124-Y211 HydrophobicContact CE2-CE1 4.3Å; Q125-Y211 PolarHBondContact NE2-OH 2.81Å; V148-Y211 HydrophobicContact CB-CD1 3.63Å; V148-Y211 HydrophobicContact CB-CE1 3.77Å; V148-Y211 HydrophobicContact CB-CG 4.28Å; V148-Y211 HydrophobicContact CG1-CD1 3.65Å; V148-Y211 HydrophobicContact CG1-CE1 3.53Å; V148-Y211 HydrophobicContact CG2-CD1 4.34Å; V148-Y211 HydrophobicContact CG2-CE1 4.09Å; V148-Y211 CarbonylContact O-C 3.57Å; V148-Y211 VanDerWaalsContact O-CA 3.31Å; V148-Y211 WeakPolarHBondContact O-CA 3.48Å; M156-Y211 HydrophobicContact CB-CD1 4.21Å; M156-Y211 HydrophobicContact CB-CG 4.24Å; M156-Y211 HydrophobicContact CG-CD1 4.19Å; M156-Y211 HydrophobicContact CG-CG 4.49Å; Q159-Y211 HydrophobicContact CB-CE1 4.21Å; Q159-Y211 VanDerWaalsContact OE1-CZ 3.29Å; Q159-Y211 PolarHBondContact OE1-OH 3.06Å; L163-Y211 HydrophobicContact CD1-CE2 4.47Å; I173-Y211 HydrophobicContact CG2-CD2 3.99Å; I173-Y211 HydrophobicContact CG2-CE2 3.91Å; A174-Y211 PolarHBondContact O-N 3.33Å; V175-Y211 HydrophobicContact CG2-CD2 4.39Å; L176-Y211 PolarHBondContact N-O 2.84Å; L209-Y211 HydrophobicContact CB-CE2 4.23Å
212	V	96	Very high	87.1	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.9	178.9	70.8	0	0	0	0	111.2	L147 V148 I149 S150 L176 K216 L217 L223	L147-V212 HydrophobicContact CD1-CB 4.47Å; L147-V212 HydrophobicContact CD1-CG1 3.73Å; L147-V212 HydrophobicContact CG-CG1 4.34Å; V148-V212 PolarHBondContact O-N 3.02Å; I149-V212 WeakPolarHBondContact CA-O 3.31Å; I149-V212 HydrophobicContact CG1-CG1 3.9Å; S150-V212 PolarHBondContact N-O 2.83Å; S150-V212 VanDerWaalsContact N-O 3.09Å; L176-V212 WeakPolarHBondContact O-CA 3.34Å; L176-V212 WeakPolarHBondContact O-CG2 3.39Å; V212-K216 HydrophobicContact CG2-CB 3.92Å; V212-K216 HydrophobicContact CG2-CG 3.96Å; V212-L217 HydrophobicContact CG1-CB 4.37Å; V212-L217 HydrophobicContact CG1-CD2 4.45Å; V212-L217 HydrophobicContact CG2-CB 4.18Å; V212-L223 HydrophobicContact CG2-CD2 3.77Å
213	T	92.8	Very high	89.2	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.043	20%	0.197	C	C	.	.			trans	-81.3	148.9	168.7	83.6	0	0	0	0	111.1	V153 M156 D177 E215 K216 L217	V153-T213 HydrophobicContact CG2-CG2 3.68Å; M156-T213 HydrophobicContact CE-CG2 3.58Å; M156-T213 HydrophobicContact SD-CG2 4.11Å; D177-T213 HydrophobicContact CB-CG2 3.7Å; T213-E215 WeakPolarHBondContact CB-OE2 3.41Å; T213-E215 PolarHBondContact O-N 2.81Å; T213-E215 PolarHBondContact OG1-OE2 2.79Å; T213-K216 PolarHBondContact O-N 2.76Å; T213-K216 VanDerWaalsContact O-N 3.12Å; T213-K216 PolarHBondContact OG1-N 3.28Å; T213-L217 PolarHBondContact O-N 3.03Å
214	P	90.6	Very high	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.3	-40	176.3	-16.1	20.2	0	0	0	112.7	I149 S150 K216 L217 A218 D257 Y258	I149-P214 HydrophobicContact CG2-CB 4.35Å; I149-P214 HydrophobicContact CG2-CG 3.94Å; S150-P214 WeakPolarHBondContact O-CD 3.32Å; P214-K216 VanDerWaalsContact C-N 3.35Å; P214-K216 PolarHBondContact O-N 3.18Å; P214-L217 PolarHBondContact O-N 2.9Å; P214-A218 VanDerWaalsContact O-CB 3.31Å; P214-A218 WeakPolarHBondContact O-CB 3.38Å; P214-A218 PolarHBondContact O-N 2.68Å; P214-D257 HydrophobicContact CB-CB 4.16Å; P214-Y258 HydrophobicContact CB-CD2 3.99Å; P214-Y258 HydrophobicContact CB-CE2 4.09Å; P214-Y258 HydrophobicContact CG-CD2 3.56Å; P214-Y258 HydrophobicContact CG-CE2 3.15Å; P214-Y258 HydrophobicContact CG-CG 4.48Å
215	E	90.4	Very high	92.3	Very high	40 Å²	40	35.5 Å²	35.5	19%	0.187	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-40	-179.6	-52.1	77.5	-172.2	0	0	111	T213 K219 R255 D257	T213-E215 WeakPolarHBondContact CB-OE2 3.41Å; T213-E215 PolarHBondContact O-N 2.81Å; T213-E215 PolarHBondContact OG1-OE2 2.79Å; E215-K219 VanDerWaalsContact O-CB 3.29Å; E215-K219 WeakPolarHBondContact O-CB 3.36Å; E215-K219 VanDerWaalsContact O-CG 3.25Å; E215-K219 WeakPolarHBondContact O-CG 3.39Å; E215-K219 PolarHBondContact O-N 2.86Å; E215-R255 IonicContact OE1-NH1 3.71Å; E215-D257 HydrophobicContact CG-CB 4Å; E215-D257 WeakPolarHBondContact CG-OD2 3.49Å
216	K	91.9	Very high	93	Very high	28 Å²	28	39 Å²	39	12%	0.122	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-42	177.1	-177.3	62.4	170.8	-159.5	0	111.1	L176 D177 Q185 V212 T213 P214 S220	L176-K216 HydrophobicContact CG-CG 4.13Å; D177-K216 WeakPolarHBondContact O-CD 3.46Å; D177-K216 WeakPolarHBondContact O-CE 3.36Å; D177-K216 PolarHBondContact O-NZ 3.44Å; Q185-K216 VanDerWaalsContact CD-NZ 3.34Å; V212-K216 HydrophobicContact CG2-CB 3.92Å; V212-K216 HydrophobicContact CG2-CG 3.96Å; T213-K216 PolarHBondContact O-N 2.76Å; T213-K216 VanDerWaalsContact O-N 3.12Å; T213-K216 PolarHBondContact OG1-N 3.28Å; P214-K216 VanDerWaalsContact C-N 3.35Å; P214-K216 PolarHBondContact O-N 3.18Å; K216-S220 WeakPolarHBondContact O-CB 3.46Å; K216-S220 PolarHBondContact O-N 3.24Å
217	L	93.2	Very high	93.4	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-43.5	176.8	-173.8	61.1	0	0	0	111.9	L147 I149 V212 T213 P214 L223 L224 L227 F260 L261 L264	L147-L217 HydrophobicContact CD2-CD2 4.47Å; I149-L217 HydrophobicContact CD1-CD2 3.44Å; I149-L217 VanDerWaalsContact CD1-CD2 3.44Å; I149-L217 HydrophobicContact CG1-CD2 4.13Å; V212-L217 HydrophobicContact CG1-CB 4.37Å; V212-L217 HydrophobicContact CG1-CD2 4.45Å; V212-L217 HydrophobicContact CG2-CB 4.18Å; T213-L217 PolarHBondContact O-N 3.03Å; P214-L217 PolarHBondContact O-N 2.9Å; L217-L223 HydrophobicContact CD1-CD2 3.93Å; L217-L223 HydrophobicContact CD1-CG 4.31Å; L217-L224 HydrophobicContact CD1-CD2 3.8Å; L217-L224 HydrophobicContact CG-CD2 4.36Å; L217-L227 HydrophobicContact CD1-CD1 3.66Å; L217-F260 HydrophobicContact CG-CE1 4.4Å; L217-L261 HydrophobicContact CD2-CD2 4.04Å; L217-L264 HydrophobicContact CD2-CD1 3.97Å; L217-L264 HydrophobicContact CD2-CD2 4Å
218	A	89.4	Confident	93.4	Very high	27 Å²	27	40.7 Å²	40.7	22%	0.223	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-40.2	179.1	0	0	0	0	0	113.3	P214 F260	P214-A218 VanDerWaalsContact O-CB 3.31Å; P214-A218 WeakPolarHBondContact O-CB 3.38Å; P214-A218 PolarHBondContact O-N 2.68Å; A218-F260 VanDerWaalsContact CA-CE1 3.49Å; A218-F260 HydrophobicContact CB-CB 3.95Å; A218-F260 HydrophobicContact CB-CD1 3.61Å; A218-F260 HydrophobicContact CB-CD2 4.04Å; A218-F260 HydrophobicContact CB-CE1 4.11Å; A218-F260 HydrophobicContact CB-CE2 4.48Å; A218-F260 HydrophobicContact CB-CG 3.58Å
219	K	89.5	Confident	93.3	Very high	161 Å²	161	40.2 Å²	40.2	70%	0.7	19%	0.193	S	C	*	.	H	α-helix	trans	-86.1	-24.7	-174.7	-67	173.5	-177.1	174.3	0	113.5	E215 K221	E215-K219 VanDerWaalsContact O-CB 3.29Å; E215-K219 WeakPolarHBondContact O-CB 3.36Å; E215-K219 VanDerWaalsContact O-CG 3.25Å; E215-K219 WeakPolarHBondContact O-CG 3.39Å; E215-K219 PolarHBondContact O-N 2.86Å; K219-K221 PolarHBondContact O-N 3.13Å
220	S	92.4	Very high	93.1	Very high	23 Å²	23	40.2 Å²	40.2	16%	0.161	19%	0.193	C	C	.	.			trans	-93.9	89.8	-173.1	-172.7	0	0	0	0	112.9	K216 L222 L223 L224	K216-S220 WeakPolarHBondContact O-CB 3.46Å; K216-S220 PolarHBondContact O-N 3.24Å; S220-L222 PolarHBondContact O-N 2.95Å; S220-L223 WeakPolarHBondContact O-CB 3.5Å; S220-L223 PolarHBondContact O-N 3.14Å; S220-L223 VanDerWaalsContact O-N 3.09Å; S220-L223 WeakPolarHBondContact OG-CB 3.18Å; S220-L223 PolarHBondContact OG-N 3.07Å; S220-L224 PolarHBondContact O-N 3.16Å
221	K	91.7	Very high	92.9	Very high	170 Å²	170	43.2 Å²	43.2	74%	0.739	21%	0.205	S	C	*	.	H	α-helix	trans	-54.7	-38.4	171.7	-66.4	-176.8	-179.7	179.9	0	112.5	K219 L223 L224 N225	K219-K221 PolarHBondContact O-N 3.13Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.17Å; K221-L224 PolarHBondContact O-N 2.85Å; K221-N225 PolarHBondContact O-N 3.01Å; K221-N225 PolarHBondContact O-OD1 3.3Å
222	L	93	Very high	92.6	Very high	85 Å²	85	47.6 Å²	47.6	45%	0.445	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-38.4	178.7	-178.9	58.7	0	0	0	112	L189 S220 R226	L189-L222 HydrophobicContact CD1-CD2 3.66Å; L189-L222 HydrophobicContact CD1-CG 4.05Å; S220-L222 PolarHBondContact O-N 2.95Å; L222-R226 VanDerWaalsContact O-CG 3.26Å; L222-R226 WeakPolarHBondContact O-CG 3.48Å; L222-R226 PolarHBondContact O-N 2.88Å; L222-R226 VanDerWaalsContact O-N 3.09Å
223	L	94.8	Very high	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-46	175.4	175.9	60.4	0	0	0	111.1	L176 L189 L192 L210 V212 L217 S220 K221 N225 R226 L227	L176-L223 HydrophobicContact CD2-CD1 3.96Å; L176-L223 HydrophobicContact CD2-CD2 3.93Å; L176-L223 HydrophobicContact CD2-CG 4.46Å; L189-L223 HydrophobicContact CD2-CB 4.24Å; L189-L223 HydrophobicContact CD2-CD1 4.02Å; L192-L223 HydrophobicContact CD1-CD1 3.68Å; L210-L223 HydrophobicContact CD2-CD1 4.22Å; V212-L223 HydrophobicContact CG2-CD2 3.77Å; L217-L223 HydrophobicContact CD1-CD2 3.93Å; L217-L223 HydrophobicContact CD1-CG 4.31Å; S220-L223 WeakPolarHBondContact O-CB 3.5Å; S220-L223 PolarHBondContact O-N 3.14Å; S220-L223 VanDerWaalsContact O-N 3.09Å; S220-L223 WeakPolarHBondContact OG-CB 3.18Å; S220-L223 PolarHBondContact OG-N 3.07Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.17Å; L223-N225 PolarHBondContact O-N 2.97Å; L223-R226 WeakPolarHBondContact O-CB 3.29Å; L223-R226 PolarHBondContact O-N 3.37Å; L223-R226 VanDerWaalsContact O-N 3.08Å; L223-L227 HydrophobicContact CD1-CD1 4.26Å; L223-L227 HydrophobicContact CD1-CG 4.21Å; L223-L227 HydrophobicContact CG-CD1 4.06Å; L223-L227 HydrophobicContact CG-CG 4.45Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 2.94Å
224	L	93.3	Very high	92	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-46.6	177.1	-68.7	169.2	0	0	0	111.6	L217 S220 K221 R226 L227 E228 F260	L217-L224 HydrophobicContact CD1-CD2 3.8Å; L217-L224 HydrophobicContact CG-CD2 4.36Å; S220-L224 PolarHBondContact O-N 3.16Å; K221-L224 PolarHBondContact O-N 2.85Å; L224-R226 PolarHBondContact O-N 2.96Å; L224-L227 PolarHBondContact O-N 2.89Å; L224-L227 VanDerWaalsContact O-N 3.1Å; L224-E228 WeakPolarHBondContact O-CG 3.12Å; L224-E228 PolarHBondContact O-N 3.22Å; L224-F260 HydrophobicContact CD1-CE1 4.34Å; L224-F260 HydrophobicContact CD1-CZ 3.76Å; L224-F260 HydrophobicContact CD2-CE1 4.4Å
225	N	93.1	Very high	92.1	Very high	81 Å²	81	54.9 Å²	54.9	43%	0.433	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-35.7	175.9	-67.1	-1	0	0	0	112.2	K221 L223 I229	K221-N225 PolarHBondContact O-N 3.01Å; K221-N225 PolarHBondContact O-OD1 3.3Å; L223-N225 PolarHBondContact O-N 2.97Å; N225-I229 WeakPolarHBondContact O-CG1 3.27Å; N225-I229 PolarHBondContact O-N 3.27Å
226	R	94.3	Very high	92.3	Very high	76 Å²	76	53.4 Å²	53.4	29%	0.287	27%	0.268	S	S	.	.	H	α-helix	trans	-71	-40.9	175.6	-69.8	-68.4	-179.7	-108.6	2.1	111.7	L189 L192 L222 L223 L224 E228 I229 V230	L189-R226 HydrophobicContact CD2-CG 4.18Å; L192-R226 HydrophobicContact CB-CB 3.91Å; L192-R226 HydrophobicContact CD1-CB 4.06Å; L222-R226 VanDerWaalsContact O-CG 3.26Å; L222-R226 WeakPolarHBondContact O-CG 3.48Å; L222-R226 PolarHBondContact O-N 2.88Å; L222-R226 VanDerWaalsContact O-N 3.09Å; L223-R226 WeakPolarHBondContact O-CB 3.29Å; L223-R226 PolarHBondContact O-N 3.37Å; L223-R226 VanDerWaalsContact O-N 3.08Å; L224-R226 PolarHBondContact O-N 2.96Å; R226-E228 VanDerWaalsContact C-N 3.32Å; R226-E228 PolarHBondContact O-N 3.27Å; R226-I229 WeakPolarHBondContact O-CB 3.14Å; R226-I229 PolarHBondContact O-N 3.47Å; R226-V230 VanDerWaalsContact O-CG2 3.25Å; R226-V230 WeakPolarHBondContact O-CG2 3.48Å; R226-V230 PolarHBondContact O-N 2.79Å
227	L	95.4	Very high	92.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-36.2	174.6	-68.8	170.5	0	0	0	112	L147 L217 L223 L224 I229 V230 Y231 F268	L147-L227 HydrophobicContact CD1-CD1 4.46Å; L147-L227 HydrophobicContact CD1-CD2 4.29Å; L147-L227 HydrophobicContact CD2-CD1 3.86Å; L147-L227 HydrophobicContact CD2-CD2 4.36Å; L217-L227 HydrophobicContact CD1-CD1 3.66Å; L223-L227 HydrophobicContact CD1-CD1 4.26Å; L223-L227 HydrophobicContact CD1-CG 4.21Å; L223-L227 HydrophobicContact CG-CD1 4.06Å; L223-L227 HydrophobicContact CG-CG 4.45Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 2.94Å; L224-L227 PolarHBondContact O-N 2.89Å; L224-L227 VanDerWaalsContact O-N 3.1Å; L227-I229 VanDerWaalsContact C-N 3.35Å; L227-I229 PolarHBondContact O-N 3.44Å; L227-V230 WeakPolarHBondContact O-CB 3.48Å; L227-V230 PolarHBondContact O-N 3.02Å; L227-Y231 WeakPolarHBondContact O-CB 3.26Å; L227-Y231 PolarHBondContact O-N 3.27Å; L227-F268 HydrophobicContact CB-CE1 4.35Å; L227-F268 HydrophobicContact CB-CE2 4.43Å; L227-F268 HydrophobicContact CB-CZ 3.67Å
228	E	93.9	Very high	92.6	Very high	80 Å²	80	52.9 Å²	52.9	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-41	171.8	-74	176.5	179	0	0	112.1	L224 R226 Y231 S232 Q267 F268	L224-E228 WeakPolarHBondContact O-CG 3.12Å; L224-E228 PolarHBondContact O-N 3.22Å; R226-E228 VanDerWaalsContact C-N 3.32Å; R226-E228 PolarHBondContact O-N 3.27Å; E228-Y231 PolarHBondContact O-N 3.5Å; E228-S232 WeakPolarHBondContact O-CB 3.17Å; E228-S232 PolarHBondContact O-N 3.31Å; E228-S232 PolarHBondContact O-OG 2.97Å; E228-Q267 PolarHBondContact OE1-NE2 3.07Å; E228-F268 HydrophobicContact CG-CE1 4.2Å; E228-F268 HydrophobicContact CG-CZ 4.47Å
229	I	91.6	Very high	93	Very high	51 Å²	51	51.6 Å²	51.6	26%	0.262	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-46.3	173.5	-67	164.3	0	0	0	110.5	N225 R226 L227 Y231 S232 T233	N225-I229 WeakPolarHBondContact O-CG1 3.27Å; N225-I229 PolarHBondContact O-N 3.27Å; R226-I229 WeakPolarHBondContact O-CB 3.14Å; R226-I229 PolarHBondContact O-N 3.47Å; L227-I229 VanDerWaalsContact C-N 3.35Å; L227-I229 PolarHBondContact O-N 3.44Å; I229-Y231 VanDerWaalsContact C-N 3.3Å; I229-Y231 PolarHBondContact O-N 3.34Å; I229-S232 WeakPolarHBondContact CA-OG 3.29Å; I229-S232 PolarHBondContact O-N 3.08Å; I229-S232 PolarHBondContact O-OG 3.44Å; I229-T233 PolarHBondContact O-N 2.95Å; I229-T233 VanDerWaalsContact O-N 3.1Å; I229-T233 PolarHBondContact O-OG1 3.26Å
230	V	92.8	Very high	93.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-41.5	177.6	177.4	0	0	0	0	111.1	L145 L192 R226 L227 T233 N234 R235 L236	L145-V230 HydrophobicContact CB-CG1 4.35Å; L145-V230 HydrophobicContact CD2-CG1 3.72Å; L145-V230 HydrophobicContact CD2-CG2 4.47Å; L192-V230 HydrophobicContact CB-CG2 4.08Å; L192-V230 HydrophobicContact CD2-CG2 3.99Å; L192-V230 WeakPolarHBondContact O-CG2 3.45Å; R226-V230 VanDerWaalsContact O-CG2 3.25Å; R226-V230 WeakPolarHBondContact O-CG2 3.48Å; R226-V230 PolarHBondContact O-N 2.79Å; L227-V230 WeakPolarHBondContact O-CB 3.48Å; L227-V230 PolarHBondContact O-N 3.02Å; V230-T233 WeakPolarHBondContact CA-OG1 3.44Å; V230-T233 PolarHBondContact O-N 3.06Å; V230-T233 PolarHBondContact O-OG1 2.83Å; V230-N234 PolarHBondContact O-N 2.95Å; V230-R235 HydrophobicContact CG1-CB 3.61Å; V230-R235 PolarHBondContact O-N 2.93Å; V230-L236 HydrophobicContact CG1-CB 4Å
231	Y	93.5	Very high	93.6	Very high	64 Å²	64	42.8 Å²	42.8	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-47.7	175.8	174.1	-111.8	0	0	0	112	L227 E228 I229 T233 N234 F268 V271	L227-Y231 WeakPolarHBondContact O-CB 3.26Å; L227-Y231 PolarHBondContact O-N 3.27Å; E228-Y231 PolarHBondContact O-N 3.5Å; I229-Y231 VanDerWaalsContact C-N 3.3Å; I229-Y231 PolarHBondContact O-N 3.34Å; Y231-T233 PolarHBondContact O-N 3.27Å; Y231-T233 VanDerWaalsContact O-N 3.13Å; Y231-N234 WeakPolarHBondContact O-CA 3.45Å; Y231-N234 PolarHBondContact O-N 2.89Å; Y231-F268 AromaticContact CD1-CD1 3.92Å; Y231-F268 HydrophobicContact CD1-CD1 3.92Å; Y231-F268 HydrophobicContact CD1-CE1 4.47Å; Y231-F268 HydrophobicContact CD2-CB 4.35Å; Y231-F268 AromaticContact CD2-CD1 3.92Å; Y231-F268 HydrophobicContact CD2-CD1 3.92Å; Y231-F268 HydrophobicContact CE2-CB 4.43Å; Y231-F268 AromaticContact CG-CD1 3.54Å; Y231-F268 HydrophobicContact CG-CD1 3.54Å; Y231-F268 HydrophobicContact CG-CE1 4.15Å; Y231-V271 HydrophobicContact CD2-CG2 3.59Å; Y231-V271 HydrophobicContact CE2-CG2 3.62Å
232	S	91	Very high	93.6	Very high	91 Å²	91	34.9 Å²	34.9	64%	0.636	18%	0.183	S	C	*	.	H	α-helix	trans	-61.2	-23.9	179	72.8	0	0	0	0	113.5	E228 I229	E228-S232 WeakPolarHBondContact O-CB 3.17Å; E228-S232 PolarHBondContact O-N 3.31Å; E228-S232 PolarHBondContact O-OG 2.97Å; I229-S232 WeakPolarHBondContact CA-OG 3.29Å; I229-S232 PolarHBondContact O-N 3.08Å; I229-S232 PolarHBondContact O-OG 3.44Å
233	T	88	Confident	93.4	Very high	48 Å²	48	31.9 Å²	31.9	29%	0.294	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	12.8	176.1	53	0	0	0	0	113.1	I229 V230 Y231 R235	I229-T233 PolarHBondContact O-N 2.95Å; I229-T233 VanDerWaalsContact O-N 3.1Å; I229-T233 PolarHBondContact O-OG1 3.26Å; V230-T233 WeakPolarHBondContact CA-OG1 3.44Å; V230-T233 PolarHBondContact O-N 3.06Å; V230-T233 PolarHBondContact O-OG1 2.83Å; Y231-T233 PolarHBondContact O-N 3.27Å; Y231-T233 VanDerWaalsContact O-N 3.13Å; T233-R235 PolarHBondContact O-N 2.79Å; T233-R235 VanDerWaalsContact O-N 3.16Å
234	N	88.9	Confident	93.3	Very high	99 Å²	99	31.9 Å²	31.9	53%	0.529	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	26.7	-179.5	-165.5	56.9	0	0	0	114	Y141 G143 V230 Y231	Y141-N234 PolarHBondContact O-ND2 3.44Å; G143-N234 WeakPolarHBondContact CA-O 3.5Å; V230-N234 PolarHBondContact O-N 2.95Å; Y231-N234 WeakPolarHBondContact O-CA 3.45Å; Y231-N234 PolarHBondContact O-N 2.89Å
235	R	91.1	Very high	93.1	Very high	14 Å²	14	31.3 Å²	31.3	5%	0.053	16%	0.163	C	C	.	.			trans	-91.1	-23.2	179.8	-69.2	-156.9	-53.5	147.7	-3.6	113.8	G143 S144 L145 L191 L192 T203 S205 V230 T233 A237	G143-R235 CarbonylContact C-O 3.43Å; G143-R235 WeakPolarHBondContact CA-O 3.39Å; S144-R235 PolarHBondContact N-O 3.44Å; L145-R235 PolarHBondContact N-O 3.39Å; L191-R235 PolarHBondContact O-NH2 3.41Å; L192-R235 PolarHBondContact O-NH2 3.34Å; T203-R235 WeakPolarHBondContact OG1-CD 3.21Å; S205-R235 PolarHBondContact OG-NH1 3.15Å; S205-R235 VanDerWaalsContact OG-NH1 3.15Å; V230-R235 HydrophobicContact CG1-CB 3.61Å; V230-R235 PolarHBondContact O-N 2.93Å; T233-R235 PolarHBondContact O-N 2.79Å; T233-R235 VanDerWaalsContact O-N 3.16Å; R235-A237 PolarHBondContact O-N 3.4Å
236	L	94.6	Very high	92.9	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.047	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	106.5	179.9	-173.9	60	0	0	0	109.3	L145 L147 V230 I239 F268 V271	L145-L236 HydrophobicContact CD2-CD1 4.32Å; L147-L236 HydrophobicContact CB-CD1 4.14Å; V230-L236 HydrophobicContact CG1-CB 4Å; L236-I239 HydrophobicContact CD2-CD1 4.47Å; L236-I239 HydrophobicContact CD2-CG1 4.49Å; L236-F268 HydrophobicContact CD2-CB 4.4Å; L236-F268 HydrophobicContact CD2-CD1 3.96Å; L236-F268 HydrophobicContact CD2-CD2 4.19Å; L236-F268 HydrophobicContact CD2-CE1 4.27Å; L236-F268 HydrophobicContact CD2-CE2 4.49Å; L236-F268 HydrophobicContact CD2-CG 3.92Å; L236-V271 HydrophobicContact CB-CG2 4.41Å; L236-V271 HydrophobicContact CD2-CG1 4.45Å; L236-V271 HydrophobicContact CD2-CG2 4.08Å; L236-V271 HydrophobicContact CG-CG1 4.09Å; L236-V271 HydrophobicContact CG-CG2 4.13Å
237	A	94.7	Very high	92.6	Very high	13 Å²	13	24.1 Å²	24.1	11%	0.107	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-41.2	-170.4	0	0	0	0	0	113.2	R142 G143 L145 R235 P272	R142-A237 PolarHBondContact NH1-O 2.73Å; G143-A237 VanDerWaalsContact C-CB 3.43Å; G143-A237 WeakPolarHBondContact O-CB 3.49Å; L145-A237 WeakPolarHBondContact O-CB 3.27Å; L145-A237 PolarHBondContact O-N 3.37Å; R235-A237 PolarHBondContact O-N 3.4Å; A237-P272 WeakPolarHBondContact O-CD 3.43Å; A237-P272 WeakPolarHBondContact O-CG 3.38Å
238	C	97	Very high	92.1	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.02	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	148.6	-170.5	-179.3	0	0	0	0	110	V104 T146 L147 P272	V104-C238 HydrophobicContact CG1-CB 4.21Å; T146-C238 WeakPolarHBondContact CA-O 3.22Å; T146-C238 HydrophobicContact CG2-CB 4.25Å; L147-C238 PolarHBondContact N-O 3.26Å; C238-P272 HydrophobicContact CB-CG 4.46Å
239	I	98.1	Very high	91.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.9	167.1	-60.4	169.9	0	0	0	107.5	L147 I149 L236 I241 L264 F268 V271 P272 I273 I274	L147-I239 HydrophobicContact CB-CG1 4.43Å; L147-I239 HydrophobicContact CD2-CG1 4.5Å; L147-I239 CarbonylContact O-C 3.4Å; L147-I239 WeakPolarHBondContact O-CA 3.43Å; I149-I239 HydrophobicContact CD1-CG2 3.96Å; L236-I239 HydrophobicContact CD2-CD1 4.47Å; L236-I239 HydrophobicContact CD2-CG1 4.49Å; I239-I241 HydrophobicContact CG2-CG1 4.23Å; I239-L264 HydrophobicContact CD1-CB 4.2Å; I239-L264 HydrophobicContact CG2-CD1 4.15Å; I239-F268 HydrophobicContact CD1-CB 4.19Å; I239-F268 HydrophobicContact CD1-CD2 3.77Å; I239-F268 HydrophobicContact CD1-CG 4.34Å; I239-V271 HydrophobicContact CD1-CG1 4.28Å; I239-V271 HydrophobicContact CG1-CG1 3.97Å; I239-P272 PolarHBondContact N-O 2.92Å; I239-I273 HydrophobicContact CB-CG1 4.16Å; I239-I273 HydrophobicContact CD1-CG1 4.49Å; I239-I273 CarbonylContact O-C 3.59Å; I239-I273 WeakPolarHBondContact O-CA 3.2Å; I239-I274 PolarHBondContact O-N 2.98Å
240	A	97.7	Very high	90.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.7	174.5	0	0	0	0	0	109.7	Y124 T146 L147 V148 I149 I274 L276	Y124-A240 HydrophobicContact CD1-CB 3.82Å; Y124-A240 HydrophobicContact CD2-CB 4.33Å; Y124-A240 HydrophobicContact CG-CB 3.68Å; T146-A240 HydrophobicContact CG2-CB 4.34Å; L147-A240 PolarHBondContact O-N 2.77Å; V148-A240 CarbonylContact C-O 3.41Å; V148-A240 WeakPolarHBondContact CA-O 3.29Å; V148-A240 HydrophobicContact CG1-CB 4.35Å; V148-A240 HydrophobicContact CG2-CB 4.32Å; I149-A240 PolarHBondContact N-O 3.27Å; A240-I274 CarbonylContact C-O 3.58Å; A240-I274 WeakPolarHBondContact CA-O 3.44Å; A240-I274 HydrophobicContact CB-CG2 3.74Å; A240-L276 HydrophobicContact CB-CD1 4.16Å
241	I	96	Very high	89.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	101.8	175.3	-56.2	172.3	0	0	0	107	I149 I239 V244 Y258 L261 I273 I274 L276 L292	I149-I241 HydrophobicContact CB-CG1 4.5Å; I149-I241 HydrophobicContact CD1-CG1 4.31Å; I239-I241 HydrophobicContact CG2-CG1 4.23Å; I241-V244 HydrophobicContact CB-CB 4.45Å; I241-V244 HydrophobicContact CB-CG2 4.33Å; I241-V244 HydrophobicContact CG2-CB 4.04Å; I241-V244 HydrophobicContact CG2-CG2 3.95Å; I241-Y258 HydrophobicContact CG2-CD1 4.24Å; I241-Y258 HydrophobicContact CG2-CE1 3.66Å; I241-L261 HydrophobicContact CD1-CD1 4.06Å; I241-L261 HydrophobicContact CG1-CD1 4.43Å; I241-L261 HydrophobicContact CG2-CD1 3.93Å; I241-I273 HydrophobicContact CD1-CG2 3.78Å; I241-I273 HydrophobicContact CG1-CG2 4.31Å; I241-I274 PolarHBondContact N-O 3.01Å; I241-L276 PolarHBondContact O-N 3.45Å; I241-L292 HydrophobicContact CD1-CD1 3.71Å; I241-L292 HydrophobicContact CD1-CD2 3.64Å; I241-L292 HydrophobicContact CD1-CG 4.33Å
242	D	92.8	Very high	88.8	Confident	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	148.8	175.9	-157.7	11.5	0	0	0	110.4	I149 L155 V244 Y258	I149-D242 PolarHBondContact O-N 2.68Å; L155-D242 WeakPolarHBondContact CD2-OD2 3.38Å; D242-V244 PolarHBondContact O-N 3.43Å; D242-Y258 PolarHBondContact O-OH 2.96Å
243	E	89.2	Confident	88.2	Confident	22 Å²	22	21.1 Å²	21.1	10%	0.103	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	48.5	-170	-60.9	-58.2	172.1	0	0	113.2	P151 H245 C246 L276	P151-E243 HydrophobicContact CG-CB 3.95Å; P151-E243 HydrophobicContact CG-CG 4.36Å; E243-H245 PolarHBondContact O-N 2.63Å; E243-H245 IonicContact OE2-CE1 2.77Å; E243-H245 PolarHBondContact OE2-CE1 3.1Å; E243-H245 IonicContact OE2-ND1 3.27Å; E243-H245 PolarHBondContact OE2-ND1 2.91Å; E243-H245 VanDerWaalsContact OE2-ND1 3.08Å; E243-C246 WeakPolarHBondContact O-CB 3.35Å; E243-C246 PolarHBondContact O-N 3.3Å; E243-C246 PolarHBondContact O-SG 3.2Å; E243-L276 VanDerWaalsContact CA-O 3.3Å; E243-L276 WeakPolarHBondContact CA-O 2.83Å; E243-L276 PolarHBondContact N-O 2.66Å
244	V	92.8	Very high	88	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-56.7	-22.1	-174	67.3	0	0	0	0	114	I241 D242 C246 A247 L276 T277 I288 L292	I241-V244 HydrophobicContact CB-CB 4.45Å; I241-V244 HydrophobicContact CB-CG2 4.33Å; I241-V244 HydrophobicContact CG2-CB 4.04Å; I241-V244 HydrophobicContact CG2-CG2 3.95Å; D242-V244 PolarHBondContact O-N 3.43Å; V244-C246 PolarHBondContact O-N 2.68Å; V244-C246 VanDerWaalsContact O-N 3.16Å; V244-A247 VanDerWaalsContact O-CB 3.29Å; V244-A247 WeakPolarHBondContact O-CB 3.4Å; V244-A247 PolarHBondContact O-N 3.27Å; V244-L276 PolarHBondContact N-O 2.88Å; V244-T277 HydrophobicContact CG1-CG2 3.91Å; V244-I288 HydrophobicContact CB-CD1 4.5Å; V244-I288 HydrophobicContact CG1-CD1 3.82Å; V244-I288 HydrophobicContact CG2-CD1 4.22Å; V244-I288 HydrophobicContact CG2-CG1 4.23Å; V244-I288 HydrophobicContact CG2-CG2 3.52Å; V244-L292 HydrophobicContact CG2-CD1 3.75Å
245	H	89.2	Confident	87.6	Confident	3 Å²	3	20 Å²	20	1%	0.014	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-57.3	-25.2	173.1	72.9	-86.6	0	0	0	113.4	E243 A247 S248 H252 T277 I284	E243-H245 PolarHBondContact O-N 2.63Å; E243-H245 IonicContact OE2-CE1 2.77Å; E243-H245 PolarHBondContact OE2-CE1 3.1Å; E243-H245 IonicContact OE2-ND1 3.27Å; E243-H245 PolarHBondContact OE2-ND1 2.91Å; E243-H245 VanDerWaalsContact OE2-ND1 3.08Å; H245-A247 PolarHBondContact O-N 2.79Å; H245-S248 PolarHBondContact O-N 3.45Å; H245-H252 AromaticContact CD2-CE1 3.11Å; H245-H252 PolarHBondContact CD2-CE1 2.87Å; H245-H252 AromaticContact CD2-ND1 3.53Å; H245-H252 AromaticContact CD2-NE2 3.52Å; H245-H252 PolarHBondContact CD2-O 2.61Å; H245-H252 AromaticContact CE1-CE1 3.78Å; H245-H252 AromaticContact CE1-NE2 3.6Å; H245-H252 AromaticContact CG-CE1 3.76Å; H245-H252 AromaticContact NE2-CD2 3.58Å; H245-H252 AromaticContact NE2-CE1 3.13Å; H245-H252 PolarHBondContact NE2-CE1 3.27Å; H245-H252 AromaticContact NE2-ND1 3.82Å; H245-H252 AromaticContact NE2-NE2 2.99Å; H245-H252 PolarHBondContact NE2-NE2 2.74Å; H245-H252 PolarHBondContact NE2-O 2.72Å; H245-T277 PolarHBondContact ND1-OG1 2.6Å; H245-I284 HydrophobicContact CB-CG2 4.08Å
246	C	88.4	Confident	87.2	Confident	4 Å²	4	23.4 Å²	23.4	3%	0.027	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-62	-18.5	174.1	-68.8	0	0	0	0	113.4	E243 V244 S248 D253 F254 R255 Y258	E243-C246 WeakPolarHBondContact O-CB 3.35Å; E243-C246 PolarHBondContact O-N 3.3Å; E243-C246 PolarHBondContact O-SG 3.2Å; V244-C246 PolarHBondContact O-N 2.68Å; V244-C246 VanDerWaalsContact O-N 3.16Å; C246-S248 VanDerWaalsContact C-N 3.34Å; C246-D253 PolarHBondContact SG-O 3.1Å; C246-F254 WeakPolarHBondContact O-CD2 3.31Å; C246-R255 HydrophobicContact CB-CB 4.44Å; C246-R255 HydrophobicContact CB-CG 4.33Å; C246-R255 PolarHBondContact O-N 3.37Å; C246-Y258 HydrophobicContact CB-CD1 4.31Å; C246-Y258 HydrophobicContact CB-CD2 4.17Å; C246-Y258 HydrophobicContact CB-CE1 4.11Å; C246-Y258 HydrophobicContact CB-CE2 3.92Å; C246-Y258 HydrophobicContact CB-CG 4.35Å
247	A	87.4	Confident	86.6	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.008	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-66.8	-37.5	172.9	0	0	0	0	0	112	V244 H245 F254 Y258 M291	V244-A247 VanDerWaalsContact O-CB 3.29Å; V244-A247 WeakPolarHBondContact O-CB 3.4Å; V244-A247 PolarHBondContact O-N 3.27Å; H245-A247 PolarHBondContact O-N 2.79Å; A247-F254 WeakPolarHBondContact O-CE2 3.21Å; A247-Y258 HydrophobicContact CB-CD1 3.96Å; A247-Y258 HydrophobicContact CB-CG 4.37Å; A247-M291 HydrophobicContact CB-SD 4.12Å
248	S	86.1	Confident	86.1	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-78.8	132.4	-175.5	178.6	0	0	0	0	111.6	H245 C246 W250 G251 F254 D287	H245-S248 PolarHBondContact O-N 3.45Å; C246-S248 VanDerWaalsContact C-N 3.34Å; S248-W250 PolarHBondContact O-N 3.02Å; S248-W250 PolarHBondContact OG-N 3.15Å; S248-W250 VanDerWaalsContact OG-N 3.13Å; S248-G251 PolarHBondContact O-N 3.04Å; S248-G251 VanDerWaalsContact O-N 3.14Å; S248-G251 PolarHBondContact OG-N 3.28Å; S248-F254 WeakPolarHBondContact O-CD2 3.1Å; S248-D287 WeakPolarHBondContact CA-OD2 3.46Å; S248-D287 WeakPolarHBondContact CB-OD2 3.39Å; S248-D287 PolarHBondContact OG-OD2 2.97Å
249	Q	80.8	Confident	85.3	Confident	53 Å²	53	30.3 Å²	30.3	25%	0.248	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.1	172	-67.1	-168.3	-21.5	0	0	113.2	F254	Q249-F254 HydrophobicContact CB-CD2 4.37Å; Q249-F254 HydrophobicContact CB-CG 4.48Å; Q249-F254 HydrophobicContact CG-CD1 4.19Å; Q249-F254 HydrophobicContact CG-CD2 3.87Å; Q249-F254 HydrophobicContact CG-CE1 3.9Å; Q249-F254 HydrophobicContact CG-CE2 3.57Å; Q249-F254 HydrophobicContact CG-CG 4.19Å; Q249-F254 HydrophobicContact CG-CZ 3.59Å
250	W	76.8	Confident	84.7	Confident	120 Å²	120	33 Å²	33	46%	0.455	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-13.9	177.5	-54.5	103.5	0	0	0	111.8	S248 T460	S248-W250 PolarHBondContact O-N 3.02Å; S248-W250 PolarHBondContact OG-N 3.15Å; S248-W250 VanDerWaalsContact OG-N 3.13Å; W250-T460 HydrophobicContact CE3-CG2 4.47Å
251	G	72.9	Confident	84.3	Confident	1 Å²	1	33 Å²	33	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-64.1	159.2	168.3	0	0	0	0	0	112.5	S248	S248-G251 PolarHBondContact O-N 3.04Å; S248-G251 VanDerWaalsContact O-N 3.14Å; S248-G251 PolarHBondContact OG-N 3.28Å
252	H	72.1	Confident	84	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	156.4	160	56	-59.2	0	0	0	107.9	H245 F254 T279 Q425 K464	H245-H252 AromaticContact CD2-CE1 3.11Å; H245-H252 PolarHBondContact CD2-CE1 2.87Å; H245-H252 AromaticContact CD2-ND1 3.53Å; H245-H252 AromaticContact CD2-NE2 3.52Å; H245-H252 PolarHBondContact CD2-O 2.61Å; H245-H252 AromaticContact CE1-CE1 3.78Å; H245-H252 AromaticContact CE1-NE2 3.6Å; H245-H252 AromaticContact CG-CE1 3.76Å; H245-H252 AromaticContact NE2-CD2 3.58Å; H245-H252 AromaticContact NE2-CE1 3.13Å; H245-H252 PolarHBondContact NE2-CE1 3.27Å; H245-H252 AromaticContact NE2-ND1 3.82Å; H245-H252 AromaticContact NE2-NE2 2.99Å; H245-H252 PolarHBondContact NE2-NE2 2.74Å; H245-H252 PolarHBondContact NE2-O 2.72Å; H252-F254 VanDerWaalsContact C-N 3.27Å; H252-F254 PolarHBondContact O-N 3.18Å; H252-T279 VanDerWaalsContact CE1-CB 3.49Å; H252-T279 WeakPolarHBondContact CE1-CB 3.45Å; H252-T279 PolarHBondContact CE1-OG1 2.97Å; H252-T279 PolarHBondContact NE2-OG1 3.06Å; H252-Q425 PolarHBondContact NE2-NE2 3.45Å; H252-K464 HydrophobicContact CB-CD 4Å
253	D	78.6	Confident	83.9	Confident	48 Å²	48	38.7 Å²	38.7	26%	0.257	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	35.2	176.6	-64.6	-45.1	0	0	0	114.5	C246 R255 K418 N422	C246-D253 PolarHBondContact SG-O 3.1Å; D253-R255 WeakPolarHBondContact O-CG 3.32Å; D253-R255 PolarHBondContact O-N 2.93Å; D253-K418 WeakPolarHBondContact OD1-CE 3.29Å; D253-K418 IonicContact OD1-NZ 2.68Å; D253-K418 PolarHBondContact OD1-NZ 3.49Å; D253-N422 PolarHBondContact OD2-ND2 3.49Å
254	F	82.2	Confident	84	Confident	63 Å²	63	37.7 Å²	37.7	28%	0.276	18%	0.177	S	C	.	.			trans	-52.7	132.4	176.3	168.3	-112.5	0	0	0	111.8	C246 A247 S248 Q249 H252 P256	C246-F254 WeakPolarHBondContact O-CD2 3.31Å; A247-F254 WeakPolarHBondContact O-CE2 3.21Å; S248-F254 WeakPolarHBondContact O-CD2 3.1Å; Q249-F254 HydrophobicContact CB-CD2 4.37Å; Q249-F254 HydrophobicContact CB-CG 4.48Å; Q249-F254 HydrophobicContact CG-CD1 4.19Å; Q249-F254 HydrophobicContact CG-CD2 3.87Å; Q249-F254 HydrophobicContact CG-CE1 3.9Å; Q249-F254 HydrophobicContact CG-CE2 3.57Å; Q249-F254 HydrophobicContact CG-CG 4.19Å; Q249-F254 HydrophobicContact CG-CZ 3.59Å; H252-F254 VanDerWaalsContact C-N 3.27Å; H252-F254 PolarHBondContact O-N 3.18Å; F254-P256 HydrophobicContact CE1-CB 4.47Å; F254-P256 HydrophobicContact CE1-CG 3.84Å; F254-P256 HydrophobicContact CZ-CB 4.34Å; F254-P256 HydrophobicContact CZ-CG 4.19Å
255	R	81.5	Confident	84	Confident	61 Å²	61	39.5 Å²	39.5	23%	0.23	18%	0.184	C	C	.	.			trans	-122.6	115.8	177.7	-67	-166.5	179.4	-148.5	6.5	111.2	P151 E215 C246 D253 D257 Y258	P151-R255 VanDerWaalsContact CB-CZ 3.49Å; P151-R255 PolarHBondContact O-NH1 2.99Å; E215-R255 IonicContact OE1-NH1 3.71Å; C246-R255 HydrophobicContact CB-CB 4.44Å; C246-R255 HydrophobicContact CB-CG 4.33Å; C246-R255 PolarHBondContact O-N 3.37Å; D253-R255 WeakPolarHBondContact O-CG 3.32Å; D253-R255 PolarHBondContact O-N 2.93Å; R255-D257 PolarHBondContact O-N 2.9Å; R255-D257 VanDerWaalsContact O-N 3.13Å; R255-Y258 HydrophobicContact CB-CD2 3.68Å; R255-Y258 HydrophobicContact CB-CE2 4.18Å; R255-Y258 WeakPolarHBondContact O-CB 3.37Å; R255-Y258 PolarHBondContact O-N 3.08Å
256	P	81.3	Confident	84.1	Confident	84 Å²	84	48.3 Å²	48.3	55%	0.545	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-53.6	-35.3	178.8	-27.1	33.9	0	0	0	114.3	F254 Y258 K259	F254-P256 HydrophobicContact CE1-CB 4.47Å; F254-P256 HydrophobicContact CE1-CG 3.84Å; F254-P256 HydrophobicContact CZ-CB 4.34Å; F254-P256 HydrophobicContact CZ-CG 4.19Å; P256-Y258 PolarHBondContact O-N 3.11Å; P256-K259 VanDerWaalsContact O-CB 3.29Å; P256-K259 WeakPolarHBondContact O-CB 3.49Å; P256-K259 WeakPolarHBondContact O-CG 3.35Å; P256-K259 PolarHBondContact O-N 3.13Å
257	D	83.3	Confident	84.2	Confident	57 Å²	57	50.2 Å²	50.2	31%	0.305	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-65	-20.5	-178.9	-63.3	-73	0	0	0	113.6	P214 E215 R255 K259 F260	P214-D257 HydrophobicContact CB-CB 4.16Å; E215-D257 HydrophobicContact CG-CB 4Å; E215-D257 WeakPolarHBondContact CG-OD2 3.49Å; R255-D257 PolarHBondContact O-N 2.9Å; R255-D257 VanDerWaalsContact O-N 3.13Å; D257-K259 PolarHBondContact O-N 3.04Å; D257-F260 WeakPolarHBondContact O-CB 3.44Å; D257-F260 PolarHBondContact O-N 3.16Å
258	Y	83.4	Confident	84.6	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.008	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-67.3	-21.9	173	-87.2	-115.8	0	0	0	112.8	P151 P214 I241 D242 C246 A247 R255 P256 F260 L261	P151-Y258 HydrophobicContact CB-CE2 3.99Å; P151-Y258 WeakPolarHBondContact CB-OH 3.48Å; P151-Y258 WeakPolarHBondContact CD-OH 3.1Å; P151-Y258 WeakPolarHBondContact CG-OH 3.4Å; P214-Y258 HydrophobicContact CB-CD2 3.99Å; P214-Y258 HydrophobicContact CB-CE2 4.09Å; P214-Y258 HydrophobicContact CG-CD2 3.56Å; P214-Y258 HydrophobicContact CG-CE2 3.15Å; P214-Y258 HydrophobicContact CG-CG 4.48Å; I241-Y258 HydrophobicContact CG2-CD1 4.24Å; I241-Y258 HydrophobicContact CG2-CE1 3.66Å; D242-Y258 PolarHBondContact O-OH 2.96Å; C246-Y258 HydrophobicContact CB-CD1 4.31Å; C246-Y258 HydrophobicContact CB-CD2 4.17Å; C246-Y258 HydrophobicContact CB-CE1 4.11Å; C246-Y258 HydrophobicContact CB-CE2 3.92Å; C246-Y258 HydrophobicContact CB-CG 4.35Å; A247-Y258 HydrophobicContact CB-CD1 3.96Å; A247-Y258 HydrophobicContact CB-CG 4.37Å; R255-Y258 HydrophobicContact CB-CD2 3.68Å; R255-Y258 HydrophobicContact CB-CE2 4.18Å; R255-Y258 WeakPolarHBondContact O-CB 3.37Å; R255-Y258 PolarHBondContact O-N 3.08Å; P256-Y258 PolarHBondContact O-N 3.11Å; Y258-F260 PolarHBondContact O-N 3.06Å; Y258-L261 HydrophobicContact CD1-CD1 3.41Å; Y258-L261 VanDerWaalsContact CD1-CD1 3.41Å; Y258-L261 HydrophobicContact CE1-CD1 3.92Å; Y258-L261 HydrophobicContact CG-CD1 3.88Å; Y258-L261 VanDerWaalsContact O-CB 3.23Å; Y258-L261 WeakPolarHBondContact O-CB 3.37Å; Y258-L261 VanDerWaalsContact O-CG 3.26Å; Y258-L261 WeakPolarHBondContact O-CG 3.31Å; Y258-L261 PolarHBondContact O-N 3.28Å
259	K	79.7	Confident	84.8	Confident	111 Å²	111	53.1 Å²	53.1	48%	0.483	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60.1	-27.9	175.1	-68.8	-176.3	170.1	-178.6	0	112.2	P256 D257 L261	P256-K259 VanDerWaalsContact O-CB 3.29Å; P256-K259 WeakPolarHBondContact O-CB 3.49Å; P256-K259 WeakPolarHBondContact O-CG 3.35Å; P256-K259 PolarHBondContact O-N 3.13Å; D257-K259 PolarHBondContact O-N 3.04Å; K259-L261 PolarHBondContact O-N 3.34Å
260	F	85.5	Confident	85.2	Confident	57 Å²	57	57 Å²	57	25%	0.25	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-63.1	-27.7	175.4	-179.9	-99	0	0	0	112.2	L217 A218 L224 D257 Y258 H262 I263	L217-F260 HydrophobicContact CG-CE1 4.4Å; A218-F260 VanDerWaalsContact CA-CE1 3.49Å; A218-F260 HydrophobicContact CB-CB 3.95Å; A218-F260 HydrophobicContact CB-CD1 3.61Å; A218-F260 HydrophobicContact CB-CD2 4.04Å; A218-F260 HydrophobicContact CB-CE1 4.11Å; A218-F260 HydrophobicContact CB-CE2 4.48Å; A218-F260 HydrophobicContact CB-CG 3.58Å; L224-F260 HydrophobicContact CD1-CE1 4.34Å; L224-F260 HydrophobicContact CD1-CZ 3.76Å; L224-F260 HydrophobicContact CD2-CE1 4.4Å; D257-F260 WeakPolarHBondContact O-CB 3.44Å; D257-F260 PolarHBondContact O-N 3.16Å; Y258-F260 PolarHBondContact O-N 3.06Å; F260-H262 PolarHBondContact O-N 3.22Å; F260-I263 HydrophobicContact CD1-CG2 3.97Å; F260-I263 HydrophobicContact CD2-CG2 4.43Å; F260-I263 HydrophobicContact CE1-CG2 3.52Å; F260-I263 HydrophobicContact CE2-CD1 4.05Å; F260-I263 HydrophobicContact CE2-CG2 4.04Å; F260-I263 HydrophobicContact CG-CG2 4.4Å; F260-I263 HydrophobicContact CZ-CD1 4.09Å; F260-I263 HydrophobicContact CZ-CG2 3.57Å; F260-I263 WeakPolarHBondContact O-CB 3.31Å; F260-I263 WeakPolarHBondContact O-CG2 3.46Å; F260-I263 PolarHBondContact O-N 3.04Å
261	L	90	Very high	86.1	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-62.5	-19.2	-173.7	-57.8	-177.8	0	0	0	113.8	I149 L217 I241 Y258 K259 I263 L264 L292	I149-L261 HydrophobicContact CD1-CD2 3.7Å; I149-L261 HydrophobicContact CG2-CD1 4.31Å; I149-L261 HydrophobicContact CG2-CD2 4.17Å; L217-L261 HydrophobicContact CD2-CD2 4.04Å; I241-L261 HydrophobicContact CD1-CD1 4.06Å; I241-L261 HydrophobicContact CG1-CD1 4.43Å; I241-L261 HydrophobicContact CG2-CD1 3.93Å; Y258-L261 HydrophobicContact CD1-CD1 3.41Å; Y258-L261 VanDerWaalsContact CD1-CD1 3.41Å; Y258-L261 HydrophobicContact CE1-CD1 3.92Å; Y258-L261 HydrophobicContact CG-CD1 3.88Å; Y258-L261 VanDerWaalsContact O-CB 3.23Å; Y258-L261 WeakPolarHBondContact O-CB 3.37Å; Y258-L261 VanDerWaalsContact O-CG 3.26Å; Y258-L261 WeakPolarHBondContact O-CG 3.31Å; Y258-L261 PolarHBondContact O-N 3.28Å; K259-L261 PolarHBondContact O-N 3.34Å; L261-I263 PolarHBondContact O-N 3.46Å; L261-I263 VanDerWaalsContact O-N 3.14Å; L261-L264 HydrophobicContact CB-CD1 4.28Å; L261-L264 HydrophobicContact CD2-CD1 3.77Å; L261-L264 VanDerWaalsContact O-CB 3.29Å; L261-L264 WeakPolarHBondContact O-CB 3.41Å; L261-L264 WeakPolarHBondContact O-CG 3.3Å; L261-L264 PolarHBondContact O-N 3.19Å; L261-L292 HydrophobicContact CB-CD2 3.76Å
262	H	90.1	Very high	87.2	Confident	92 Å²	92	51.7 Å²	51.7	43%	0.426	25%	0.249	S	C	.	.	H	α-helix	trans	-51	-35.6	169.6	-174.3	75.6	0	0	0	112.6	F260 L264 R265 M291	F260-H262 PolarHBondContact O-N 3.22Å; H262-L264 PolarHBondContact O-N 2.74Å; H262-R265 PolarHBondContact O-N 2.96Å; H262-M291 VanDerWaalsContact CB-O 3.23Å; H262-M291 WeakPolarHBondContact CB-O 3.17Å; H262-M291 PolarHBondContact ND1-O 3.35Å
263	I	90.3	Very high	88.4	Confident	31 Å²	31	51.7 Å²	51.7	16%	0.159	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-27.7	-179.5	-157.4	173.8	0	0	0	112.6	F260 L261 R265 R266 Q267	F260-I263 HydrophobicContact CD1-CG2 3.97Å; F260-I263 HydrophobicContact CD2-CG2 4.43Å; F260-I263 HydrophobicContact CE1-CG2 3.52Å; F260-I263 HydrophobicContact CE2-CD1 4.05Å; F260-I263 HydrophobicContact CE2-CG2 4.04Å; F260-I263 HydrophobicContact CG-CG2 4.4Å; F260-I263 HydrophobicContact CZ-CD1 4.09Å; F260-I263 HydrophobicContact CZ-CG2 3.57Å; F260-I263 WeakPolarHBondContact O-CB 3.31Å; F260-I263 WeakPolarHBondContact O-CG2 3.46Å; F260-I263 PolarHBondContact O-N 3.04Å; L261-I263 PolarHBondContact O-N 3.46Å; L261-I263 VanDerWaalsContact O-N 3.14Å; I263-R265 VanDerWaalsContact C-N 3.34Å; I263-R265 PolarHBondContact O-N 3.06Å; I263-R266 WeakPolarHBondContact O-CB 3.29Å; I263-R266 PolarHBondContact O-N 2.8Å; I263-R266 VanDerWaalsContact O-N 3.11Å; I263-Q267 HydrophobicContact CG1-CG 4.17Å; I263-Q267 PolarHBondContact O-N 3.35Å
264	L	92.3	Very high	89.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-39.1	-176.4	-59.5	178.6	0	0	0	111.1	I149 L217 I239 L261 H262 R266 Q267 F268	I149-L264 HydrophobicContact CD1-CD1 3.38Å; L217-L264 HydrophobicContact CD2-CD1 3.97Å; L217-L264 HydrophobicContact CD2-CD2 4Å; I239-L264 HydrophobicContact CD1-CB 4.2Å; I239-L264 HydrophobicContact CG2-CD1 4.15Å; L261-L264 HydrophobicContact CB-CD1 4.28Å; L261-L264 HydrophobicContact CD2-CD1 3.77Å; L261-L264 VanDerWaalsContact O-CB 3.29Å; L261-L264 WeakPolarHBondContact O-CB 3.41Å; L261-L264 WeakPolarHBondContact O-CG 3.3Å; L261-L264 PolarHBondContact O-N 3.19Å; H262-L264 PolarHBondContact O-N 2.74Å; L264-R266 VanDerWaalsContact C-N 3.29Å; L264-R266 PolarHBondContact O-N 2.91Å; L264-Q267 PolarHBondContact O-N 3.28Å; L264-F268 HydrophobicContact CB-CD2 4.31Å; L264-F268 HydrophobicContact CD2-CD2 4.07Å; L264-F268 HydrophobicContact CD2-CE2 3.78Å; L264-F268 WeakPolarHBondContact O-CA 3.32Å; L264-F268 WeakPolarHBondContact O-CB 3.34Å; L264-F268 PolarHBondContact O-N 3.36Å
265	R	92.4	Very high	89.9	Confident	37 Å²	37	46.4 Å²	46.4	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-39.7	173.3	177.2	55.1	56.5	-162.5	2.4	111.5	D109 H262 I263 S269 V271 I273 L292 G293 L294	D109-R265 IonicContact OD1-CZ 3.59Å; D109-R265 IonicContact OD1-NH1 3.74Å; D109-R265 IonicContact OD1-NH2 2.68Å; D109-R265 PolarHBondContact OD1-NH2 3.5Å; D109-R265 IonicContact OD2-CZ 3.48Å; D109-R265 IonicContact OD2-NH1 3.87Å; D109-R265 IonicContact OD2-NH2 2.97Å; D109-R265 PolarHBondContact OD2-NH2 3.01Å; H262-R265 PolarHBondContact O-N 2.96Å; I263-R265 VanDerWaalsContact C-N 3.34Å; I263-R265 PolarHBondContact O-N 3.06Å; R265-S269 PolarHBondContact NH1-O 3.05Å; R265-S269 VanDerWaalsContact NH1-O 3.11Å; R265-S269 VanDerWaalsContact O-CA 3.23Å; R265-S269 WeakPolarHBondContact O-CA 3.4Å; R265-S269 PolarHBondContact O-N 3.47Å; R265-V271 PolarHBondContact NH1-O 3.23Å; R265-I273 HydrophobicContact CB-CD1 4.46Å; R265-L292 VanDerWaalsContact CB-O 3.32Å; R265-L292 WeakPolarHBondContact CB-O 3.35Å; R265-G293 WeakPolarHBondContact CG-O 3.32Å; R265-L294 VanDerWaalsContact NH2-CD2 3.35Å
266	R	90.4	Very high	90.6	Very high	188 Å²	188	43.5 Å²	43.5	71%	0.709	21%	0.212	S	C	*	.	H	α-helix	trans	-69.6	-41.3	178.8	-169.4	178.4	67.6	-174.7	1.1	112.4	I263 L264	I263-R266 WeakPolarHBondContact O-CB 3.29Å; I263-R266 PolarHBondContact O-N 2.8Å; I263-R266 VanDerWaalsContact O-N 3.11Å; L264-R266 VanDerWaalsContact C-N 3.29Å; L264-R266 PolarHBondContact O-N 2.91Å
267	Q	91.8	Very high	91.1	Very high	45 Å²	45	39.5 Å²	39.5	21%	0.21	19%	0.186	C	C	.	.	H	α-helix	trans	-79.5	-33.9	-178.4	-75.5	179.4	-59.5	0	0	113.2	E228 I263 L264	E228-Q267 PolarHBondContact OE1-NE2 3.07Å; I263-Q267 HydrophobicContact CG1-CG 4.17Å; I263-Q267 PolarHBondContact O-N 3.35Å; L264-Q267 PolarHBondContact O-N 3.28Å
268	F	94.4	Very high	91.2	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	17%	0.172	C	C	.	.	S	Bend	trans	-123.4	52.5	-172.7	-50	-55	0	0	0	110.9	L227 E228 Y231 L236 I239 L264 N270 V271	L227-F268 HydrophobicContact CB-CE1 4.35Å; L227-F268 HydrophobicContact CB-CE2 4.43Å; L227-F268 HydrophobicContact CB-CZ 3.67Å; E228-F268 HydrophobicContact CG-CE1 4.2Å; E228-F268 HydrophobicContact CG-CZ 4.47Å; Y231-F268 AromaticContact CD1-CD1 3.92Å; Y231-F268 HydrophobicContact CD1-CD1 3.92Å; Y231-F268 HydrophobicContact CD1-CE1 4.47Å; Y231-F268 HydrophobicContact CD2-CB 4.35Å; Y231-F268 AromaticContact CD2-CD1 3.92Å; Y231-F268 HydrophobicContact CD2-CD1 3.92Å; Y231-F268 HydrophobicContact CE2-CB 4.43Å; Y231-F268 AromaticContact CG-CD1 3.54Å; Y231-F268 HydrophobicContact CG-CD1 3.54Å; Y231-F268 HydrophobicContact CG-CE1 4.15Å; L236-F268 HydrophobicContact CD2-CB 4.4Å; L236-F268 HydrophobicContact CD2-CD1 3.96Å; L236-F268 HydrophobicContact CD2-CD2 4.19Å; L236-F268 HydrophobicContact CD2-CE1 4.27Å; L236-F268 HydrophobicContact CD2-CE2 4.49Å; L236-F268 HydrophobicContact CD2-CG 3.92Å; I239-F268 HydrophobicContact CD1-CB 4.19Å; I239-F268 HydrophobicContact CD1-CD2 3.77Å; I239-F268 HydrophobicContact CD1-CG 4.34Å; L264-F268 HydrophobicContact CB-CD2 4.31Å; L264-F268 HydrophobicContact CD2-CD2 4.07Å; L264-F268 HydrophobicContact CD2-CE2 3.78Å; L264-F268 WeakPolarHBondContact O-CA 3.32Å; L264-F268 WeakPolarHBondContact O-CB 3.34Å; L264-F268 PolarHBondContact O-N 3.36Å; F268-N270 PolarHBondContact O-N 3.06Å; F268-V271 HydrophobicContact CB-CB 4.12Å; F268-V271 HydrophobicContact CB-CG2 3.85Å; F268-V271 PolarHBondContact O-N 3.42Å
269	S	91.2	Very high	91.1	Very high	61 Å²	61	36.7 Å²	36.7	43%	0.427	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.4	-167.6	65.1	0	0	0	0	115.1	R265	R265-S269 PolarHBondContact NH1-O 3.05Å; R265-S269 VanDerWaalsContact NH1-O 3.11Å; R265-S269 VanDerWaalsContact O-CA 3.23Å; R265-S269 WeakPolarHBondContact O-CA 3.4Å; R265-S269 PolarHBondContact O-N 3.47Å
270	N	89.6	Confident	91.3	Very high	135 Å²	135	31.4 Å²	31.4	72%	0.722	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	3.2	-175.5	-57.4	-19.2	0	0	0	113.4	F268	F268-N270 PolarHBondContact O-N 3.06Å
271	V	95	Very high	91.1	Very high	5 Å²	5	30 Å²	30	3%	0.03	15%	0.145	C	C	.	.	S	Bend	trans	-90.9	129.1	177.4	-176.3	0	0	0	0	108.6	Y231 L236 I239 R265 F268	Y231-V271 HydrophobicContact CD2-CG2 3.59Å; Y231-V271 HydrophobicContact CE2-CG2 3.62Å; L236-V271 HydrophobicContact CB-CG2 4.41Å; L236-V271 HydrophobicContact CD2-CG1 4.45Å; L236-V271 HydrophobicContact CD2-CG2 4.08Å; L236-V271 HydrophobicContact CG-CG1 4.09Å; L236-V271 HydrophobicContact CG-CG2 4.13Å; I239-V271 HydrophobicContact CD1-CG1 4.28Å; I239-V271 HydrophobicContact CG1-CG1 3.97Å; R265-V271 PolarHBondContact NH1-O 3.23Å; F268-V271 HydrophobicContact CB-CB 4.12Å; F268-V271 HydrophobicContact CB-CG2 3.85Å; F268-V271 PolarHBondContact O-N 3.42Å
272	P	95.7	Very high	90.6	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.026	15%	0.148	C	C	.	.			trans	-65.9	136.1	174.8	27.4	-34.3	0	0	0	110.4	V104 R108 D109 A237 C238 I239	V104-P272 HydrophobicContact CG1-CG 4.48Å; R108-P272 WeakPolarHBondContact O-CB 3.38Å; D109-P272 WeakPolarHBondContact OD1-CA 3.44Å; A237-P272 WeakPolarHBondContact O-CD 3.43Å; A237-P272 WeakPolarHBondContact O-CG 3.38Å; C238-P272 HydrophobicContact CB-CG 4.46Å; I239-P272 PolarHBondContact N-O 2.92Å
273	I	97.4	Very high	90.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.2	171.5	-63.9	178.5	0	0	0	108.3	D109 V110 I239 I241 R265 L292 L294	D109-I273 VanDerWaalsContact CA-O 3.3Å; D109-I273 WeakPolarHBondContact CA-O 3.46Å; D109-I273 PolarHBondContact OD1-N 3.36Å; V110-I273 PolarHBondContact N-O 3.2Å; I239-I273 HydrophobicContact CB-CG1 4.16Å; I239-I273 HydrophobicContact CD1-CG1 4.49Å; I239-I273 CarbonylContact O-C 3.59Å; I239-I273 WeakPolarHBondContact O-CA 3.2Å; I241-I273 HydrophobicContact CD1-CG2 3.78Å; I241-I273 HydrophobicContact CG1-CG2 4.31Å; R265-I273 HydrophobicContact CB-CD1 4.46Å; I273-L292 HydrophobicContact CG2-CD1 4.39Å; I273-L294 HydrophobicContact CB-CD2 4.1Å; I273-L294 HydrophobicContact CD1-CD2 4.25Å; I273-L294 HydrophobicContact CG2-CD2 4.38Å
274	I	97.3	Very high	89.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.5	168.1	-177.1	169.5	0	0	0	110.1	V104 V110 L112 V123 I239 A240 I241 L276	V104-I274 HydrophobicContact CG2-CB 4.03Å; V104-I274 HydrophobicContact CG2-CD1 3.87Å; V104-I274 HydrophobicContact CG2-CG1 4.43Å; V104-I274 HydrophobicContact CG2-CG2 4.44Å; V110-I274 HydrophobicContact CB-CB 4.4Å; V110-I274 HydrophobicContact CB-CD1 4.28Å; V110-I274 HydrophobicContact CB-CG1 4.02Å; V110-I274 HydrophobicContact CG1-CD1 4.24Å; V110-I274 HydrophobicContact CG1-CG1 4.27Å; V110-I274 CarbonylContact O-C 3.51Å; V110-I274 VanDerWaalsContact O-CA 3.24Å; V110-I274 WeakPolarHBondContact O-CA 3.18Å; L112-I274 HydrophobicContact CB-CD1 4.44Å; V123-I274 HydrophobicContact CB-CD1 4.45Å; V123-I274 HydrophobicContact CG1-CD1 3.44Å; V123-I274 VanDerWaalsContact CG1-CD1 3.44Å; I239-I274 PolarHBondContact O-N 2.98Å; A240-I274 CarbonylContact C-O 3.58Å; A240-I274 WeakPolarHBondContact CA-O 3.44Å; A240-I274 HydrophobicContact CB-CG2 3.74Å; I241-I274 PolarHBondContact N-O 3.01Å; I274-L276 HydrophobicContact CB-CD1 4.48Å; I274-L276 HydrophobicContact CD1-CD1 4.38Å; I274-L276 HydrophobicContact CD1-CD2 4.34Å; I274-L276 HydrophobicContact CD1-CG 4.26Å; I274-L276 HydrophobicContact CG1-CD1 3.92Å; I274-L276 HydrophobicContact CG1-CG 4.03Å; I274-L276 HydrophobicContact CG2-CD1 4.05Å
275	G	96.1	Very high	89.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.6	170.3	0	0	0	0	0	110.5	V110 I111 L112	V110-G275 PolarHBondContact O-N 3Å; I111-G275 CarbonylContact C-O 3.49Å; I111-G275 WeakPolarHBondContact CA-O 3.35Å; L112-G275 PolarHBondContact N-O 3.14Å
276	L	94.8	Very high	89.3	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.7	-178.3	-57.1	98.1	0	0	0	110.8	L112 K120 V123 Y124 A240 I241 E243 V244 I274	L112-L276 HydrophobicContact CD2-CD2 4.19Å; L112-L276 WeakPolarHBondContact O-CA 3.02Å; K120-L276 HydrophobicContact CB-CD2 3.9Å; K120-L276 HydrophobicContact CD-CB 4.33Å; K120-L276 VanDerWaalsContact O-CD2 3.26Å; K120-L276 WeakPolarHBondContact O-CD2 3.4Å; V123-L276 HydrophobicContact CB-CD2 4.5Å; Y124-L276 HydrophobicContact CD1-CD1 3.68Å; Y124-L276 HydrophobicContact CD1-CD2 3.75Å; Y124-L276 HydrophobicContact CD1-CG 4.4Å; Y124-L276 HydrophobicContact CE1-CD1 4.02Å; Y124-L276 HydrophobicContact CE1-CD2 3.96Å; A240-L276 HydrophobicContact CB-CD1 4.16Å; I241-L276 PolarHBondContact O-N 3.45Å; E243-L276 VanDerWaalsContact CA-O 3.3Å; E243-L276 WeakPolarHBondContact CA-O 2.83Å; E243-L276 PolarHBondContact N-O 2.66Å; V244-L276 PolarHBondContact N-O 2.88Å; I274-L276 HydrophobicContact CB-CD1 4.48Å; I274-L276 HydrophobicContact CD1-CD1 4.38Å; I274-L276 HydrophobicContact CD1-CD2 4.34Å; I274-L276 HydrophobicContact CD1-CG 4.26Å; I274-L276 HydrophobicContact CG1-CD1 3.92Å; I274-L276 HydrophobicContact CG1-CG 4.03Å; I274-L276 HydrophobicContact CG2-CD1 4.05Å
277	T	91.6	Very high	89.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	155.1	176	178.9	0	0	0	0	112	L112 V113 M114 V244 H245 T279 A280	L112-T277 PolarHBondContact O-N 3.47Å; V113-T277 WeakPolarHBondContact CA-O 3.42Å; V113-T277 HydrophobicContact CG1-CG2 4.49Å; V113-T277 HydrophobicContact CG2-CG2 3.99Å; M114-T277 PolarHBondContact N-O 3.29Å; V244-T277 HydrophobicContact CG1-CG2 3.91Å; H245-T277 PolarHBondContact ND1-OG1 2.6Å; T277-T279 PolarHBondContact OG1-N 2.95Å; T277-T279 PolarHBondContact OG1-OG1 3.18Å; T277-A280 HydrophobicContact CG2-CB 3.41Å; T277-A280 VanDerWaalsContact CG2-CB 3.41Å
278	A	85.4	Confident	89.1	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-90.4	-8.7	173.7	0	0	0	0	0	115.4	M114 Y306 Q425	M114-A278 WeakPolarHBondContact O-CA 3.48Å; A278-Y306 WeakPolarHBondContact O-CE1 3.27Å; A278-Q425 HydrophobicContact CB-CG 4Å
279	T	82.5	Confident	89	Confident	1 Å²	1	21 Å²	21	1%	0.006	12%	0.116	C	C	.	.			trans	-152.1	14.1	-150.7	36.4	0	0	0	0	113.7	H252 T277 T281 E421 Y424 Q425 L487	H252-T279 VanDerWaalsContact CE1-CB 3.49Å; H252-T279 WeakPolarHBondContact CE1-CB 3.45Å; H252-T279 PolarHBondContact CE1-OG1 2.97Å; H252-T279 PolarHBondContact NE2-OG1 3.06Å; T277-T279 PolarHBondContact OG1-N 2.95Å; T277-T279 PolarHBondContact OG1-OG1 3.18Å; T279-T281 PolarHBondContact O-N 2.85Å; T279-E421 HydrophobicContact CG2-CB 3.92Å; T279-E421 HydrophobicContact CG2-CG 4.36Å; T279-Y424 HydrophobicContact CG2-CD1 4.14Å; T279-Q425 HydrophobicContact CG2-CG 3.88Å; T279-Q425 PolarHBondContact OG1-NE2 3.4Å; T279-L487 HydrophobicContact CG2-CD2 3.97Å
280	A	84.5	Confident	88.8	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.			trans	-79.8	121.1	177.7	0	0	0	0	0	111.8	V113 T277 I284 I285 I288 Y306	V113-A280 HydrophobicContact CG2-CB 4.28Å; T277-A280 HydrophobicContact CG2-CB 3.41Å; T277-A280 VanDerWaalsContact CG2-CB 3.41Å; A280-I284 HydrophobicContact CB-CB 4.14Å; A280-I284 HydrophobicContact CB-CG2 3.71Å; A280-I285 HydrophobicContact CB-CG1 4.01Å; A280-I288 HydrophobicContact CB-CD1 4.46Å; A280-Y306 PolarHBondContact O-OH 3.44Å; A280-Y306 VanDerWaalsContact O-OH 3.06Å
281	T	81.6	Confident	88.8	Confident	28 Å²	28	18.5 Å²	18.5	17%	0.172	10%	0.097	C	C	.	.			trans	-71.2	166.6	165.6	65.4	0	0	0	0	110.3	T279 E283 I284 I285	T279-T281 PolarHBondContact O-N 2.85Å; T281-E283 PolarHBondContact O-N 2.64Å; T281-I284 HydrophobicContact CG2-CD1 4.43Å; T281-I284 WeakPolarHBondContact O-CB 3.27Å; T281-I284 PolarHBondContact O-N 3.16Å; T281-I284 WeakPolarHBondContact OG1-CG1 3.47Å; T281-I284 PolarHBondContact OG1-N 2.94Å; T281-I285 WeakPolarHBondContact O-CG1 3.4Å; T281-I285 PolarHBondContact O-N 3.46Å
282	T	79.4	Confident	88.6	Confident	11 Å²	11	18.3 Å²	18.3	7%	0.067	10%	0.096	C	C	.	.	H	α-helix	trans	-58.4	-37	178.3	-51.9	0	0	0	0	112.9	T51 R54 V55 I58 I284 I285 V286	T51-T282 HydrophobicContact CG2-CG2 4.14Å; R54-T282 HydrophobicContact CG-CG2 4.46Å; V55-T282 HydrophobicContact CG2-CG2 3.7Å; V55-T282 WeakPolarHBondContact CG2-OG1 3.42Å; I58-T282 HydrophobicContact CD1-CG2 3.93Å; T282-I284 VanDerWaalsContact C-N 3.34Å; T282-I284 PolarHBondContact O-N 3.25Å; T282-I285 PolarHBondContact O-N 2.87Å; T282-V286 WeakPolarHBondContact O-CG2 3.48Å; T282-V286 PolarHBondContact O-N 3.03Å; T282-V286 VanDerWaalsContact O-N 3.09Å
283	E	80.6	Confident	88.3	Confident	119 Å²	119	19.5 Å²	19.5	56%	0.556	11%	0.109	S	C	*	.	H	α-helix	trans	-62.8	-41.8	175.7	-63.9	173.2	-166.9	0	0	111.8	T51 T281 V286 D287	T51-E283 HydrophobicContact CG2-CG 3.91Å; T281-E283 PolarHBondContact O-N 2.64Å; E283-V286 PolarHBondContact O-N 3.25Å; E283-D287 PolarHBondContact O-N 2.94Å; E283-D287 VanDerWaalsContact O-N 3.09Å
284	I	85.1	Confident	88	Confident	5 Å²	5	19.9 Å²	19.9	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-66.7	-38.5	176.5	-67.6	167.7	0	0	0	110.5	H245 A280 T281 T282 D287 I288	H245-I284 HydrophobicContact CB-CG2 4.08Å; A280-I284 HydrophobicContact CB-CB 4.14Å; A280-I284 HydrophobicContact CB-CG2 3.71Å; T281-I284 HydrophobicContact CG2-CD1 4.43Å; T281-I284 WeakPolarHBondContact O-CB 3.27Å; T281-I284 PolarHBondContact O-N 3.16Å; T281-I284 WeakPolarHBondContact OG1-CG1 3.47Å; T281-I284 PolarHBondContact OG1-N 2.94Å; T282-I284 VanDerWaalsContact C-N 3.34Å; T282-I284 PolarHBondContact O-N 3.25Å; I284-D287 PolarHBondContact O-N 3.44Å; I284-I288 HydrophobicContact CG2-CD1 3.65Å; I284-I288 HydrophobicContact CG2-CG1 4.24Å; I284-I288 WeakPolarHBondContact O-CB 3.47Å; I284-I288 WeakPolarHBondContact O-CD1 3.44Å; I284-I288 WeakPolarHBondContact O-CG1 3.39Å; I284-I288 PolarHBondContact O-N 3.33Å
285	I	87.1	Confident	87.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-49	177.1	-67.4	169	0	0	0	110.7	I58 I111 V113 A280 T281 T282 D287 I288 E289 V301	I58-I285 HydrophobicContact CD1-CG2 4.34Å; I111-I285 HydrophobicContact CD1-CG2 3.97Å; I111-I285 HydrophobicContact CG2-CG1 4.35Å; I111-I285 HydrophobicContact CG2-CG2 4.42Å; V113-I285 HydrophobicContact CG2-CD1 3.96Å; V113-I285 HydrophobicContact CG2-CG1 4.32Å; A280-I285 HydrophobicContact CB-CG1 4.01Å; T281-I285 WeakPolarHBondContact O-CG1 3.4Å; T281-I285 PolarHBondContact O-N 3.46Å; T282-I285 PolarHBondContact O-N 2.87Å; I285-D287 VanDerWaalsContact C-N 3.29Å; I285-D287 PolarHBondContact O-N 3.24Å; I285-I288 WeakPolarHBondContact O-CB 3.49Å; I285-I288 PolarHBondContact O-N 2.91Å; I285-E289 WeakPolarHBondContact O-CG 3.11Å; I285-E289 PolarHBondContact O-N 3.09Å; I285-V301 HydrophobicContact CD1-CG1 3.95Å; I285-V301 HydrophobicContact CG2-CG1 4.15Å; I285-V301 HydrophobicContact CG2-CG2 3.93Å
286	V	85	Confident	86.5	Confident	36 Å²	36	25.7 Å²	25.7	22%	0.218	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-39.4	178.1	174.2	0	0	0	0	111.2	R54 T282 E283 E289 N290	R54-V286 HydrophobicContact CG-CG2 4.01Å; T282-V286 WeakPolarHBondContact O-CG2 3.48Å; T282-V286 PolarHBondContact O-N 3.03Å; T282-V286 VanDerWaalsContact O-N 3.09Å; E283-V286 PolarHBondContact O-N 3.25Å; V286-E289 PolarHBondContact O-N 3.48Å; V286-N290 PolarHBondContact O-N 2.94Å; V286-N290 PolarHBondContact O-ND2 3.39Å
287	D	87.3	Confident	85.6	Confident	34 Å²	34	32 Å²	32	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-41.9	176.1	-161.6	36	0	0	0	111.7	S248 E283 I284 I285 N290 M291	S248-D287 WeakPolarHBondContact CA-OD2 3.46Å; S248-D287 WeakPolarHBondContact CB-OD2 3.39Å; S248-D287 PolarHBondContact OG-OD2 2.97Å; E283-D287 PolarHBondContact O-N 2.94Å; E283-D287 VanDerWaalsContact O-N 3.09Å; I284-D287 PolarHBondContact O-N 3.44Å; I285-D287 VanDerWaalsContact C-N 3.29Å; I285-D287 PolarHBondContact O-N 3.24Å; D287-N290 PolarHBondContact O-N 3.49Å; D287-M291 WeakPolarHBondContact O-CB 3.03Å; D287-M291 VanDerWaalsContact O-CG 3.24Å; D287-M291 WeakPolarHBondContact O-CG 3.04Å; D287-M291 PolarHBondContact O-N 3.44Å; D287-M291 WeakPolarHBondContact OD1-CE 3.2Å; D287-M291 WeakPolarHBondContact OD2-CE 2.86Å
288	I	90.3	Very high	85.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-47.1	175.3	-71	159.7	0	0	0	111.5	I111 V244 A280 I284 I285 N290 M291 L292	I111-I288 HydrophobicContact CD1-CB 4.41Å; I111-I288 HydrophobicContact CD1-CG2 3.9Å; I111-I288 HydrophobicContact CG1-CG2 4.48Å; V244-I288 HydrophobicContact CB-CD1 4.5Å; V244-I288 HydrophobicContact CG1-CD1 3.82Å; V244-I288 HydrophobicContact CG2-CD1 4.22Å; V244-I288 HydrophobicContact CG2-CG1 4.23Å; V244-I288 HydrophobicContact CG2-CG2 3.52Å; A280-I288 HydrophobicContact CB-CD1 4.46Å; I284-I288 HydrophobicContact CG2-CD1 3.65Å; I284-I288 HydrophobicContact CG2-CG1 4.24Å; I284-I288 WeakPolarHBondContact O-CB 3.47Å; I284-I288 WeakPolarHBondContact O-CD1 3.44Å; I284-I288 WeakPolarHBondContact O-CG1 3.39Å; I284-I288 PolarHBondContact O-N 3.33Å; I285-I288 WeakPolarHBondContact O-CB 3.49Å; I285-I288 PolarHBondContact O-N 2.91Å; I288-N290 VanDerWaalsContact C-N 3.28Å; I288-N290 PolarHBondContact O-N 3.36Å; I288-M291 PolarHBondContact O-N 3.09Å; I288-L292 HydrophobicContact CG2-CD1 3.65Å; I288-L292 HydrophobicContact CG2-CG 4.18Å; I288-L292 WeakPolarHBondContact O-CB 3.48Å; I288-L292 WeakPolarHBondContact O-CG 3.38Å; I288-L292 PolarHBondContact O-N 3.34Å
289	E	90.7	Very high	85.5	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-54.6	-48.2	178.9	-72.6	175.7	143.5	0	0	110.3	R54 I111 I285 V286 G293 L294 V296	R54-E289 IonicContact NH2-OE1 3.78Å; R54-E289 PolarHBondContact NH2-OE1 3.36Å; R54-E289 IonicContact NH2-OE2 3.29Å; I111-E289 HydrophobicContact CD1-CG 3.52Å; I285-E289 WeakPolarHBondContact O-CG 3.11Å; I285-E289 PolarHBondContact O-N 3.09Å; V286-E289 PolarHBondContact O-N 3.48Å; E289-G293 PolarHBondContact O-N 3.44Å; E289-G293 VanDerWaalsContact O-N 3.08Å; E289-L294 HydrophobicContact CB-CB 4.48Å; E289-L294 PolarHBondContact O-N 3.46Å; E289-V296 HydrophobicContact CB-CG2 4.26Å
290	N	88.5	Confident	85.9	Confident	99 Å²	99	39.2 Å²	39.2	53%	0.529	21%	0.21	S	C	.	.	H	α-helix	trans	-64.6	-47.3	177.9	-70.8	-47.8	0	0	0	112.5	V286 D287 I288 L292 G293	V286-N290 PolarHBondContact O-N 2.94Å; V286-N290 PolarHBondContact O-ND2 3.39Å; D287-N290 PolarHBondContact O-N 3.49Å; I288-N290 VanDerWaalsContact C-N 3.28Å; I288-N290 PolarHBondContact O-N 3.36Å; N290-L292 PolarHBondContact O-N 3.39Å; N290-G293 PolarHBondContact O-N 3.08Å
291	M	88.4	Confident	86.1	Confident	45 Å²	45	39.4 Å²	39.4	22%	0.222	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-40.8	-177.8	-75.4	179	178.3	0	0	112.6	A247 H262 D287 I288 G293	A247-M291 HydrophobicContact CB-SD 4.12Å; H262-M291 VanDerWaalsContact CB-O 3.23Å; H262-M291 WeakPolarHBondContact CB-O 3.17Å; H262-M291 PolarHBondContact ND1-O 3.35Å; D287-M291 WeakPolarHBondContact O-CB 3.03Å; D287-M291 VanDerWaalsContact O-CG 3.24Å; D287-M291 WeakPolarHBondContact O-CG 3.04Å; D287-M291 PolarHBondContact O-N 3.44Å; D287-M291 WeakPolarHBondContact OD1-CE 3.2Å; D287-M291 WeakPolarHBondContact OD2-CE 2.86Å; I288-M291 PolarHBondContact O-N 3.09Å; M291-G293 VanDerWaalsContact C-N 3.28Å; M291-G293 PolarHBondContact O-N 3.22Å
292	L	91.7	Very high	86.4	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-83.5	-4.1	178.8	-64.3	-177.5	0	0	0	113.1	I241 V244 L261 R265 I273 I288 N290 L294	I241-L292 HydrophobicContact CD1-CD1 3.71Å; I241-L292 HydrophobicContact CD1-CD2 3.64Å; I241-L292 HydrophobicContact CD1-CG 4.33Å; V244-L292 HydrophobicContact CG2-CD1 3.75Å; L261-L292 HydrophobicContact CB-CD2 3.76Å; R265-L292 VanDerWaalsContact CB-O 3.32Å; R265-L292 WeakPolarHBondContact CB-O 3.35Å; I273-L292 HydrophobicContact CG2-CD1 4.39Å; I288-L292 HydrophobicContact CG2-CD1 3.65Å; I288-L292 HydrophobicContact CG2-CG 4.18Å; I288-L292 WeakPolarHBondContact O-CB 3.48Å; I288-L292 WeakPolarHBondContact O-CG 3.38Å; I288-L292 PolarHBondContact O-N 3.34Å; N290-L292 PolarHBondContact O-N 3.39Å; L292-L294 VanDerWaalsContact C-N 3.27Å; L292-L294 HydrophobicContact CB-CD1 4.31Å; L292-L294 HydrophobicContact CB-CD2 4.07Å; L292-L294 HydrophobicContact CB-CG 3.81Å; L292-L294 HydrophobicContact CD1-CD1 4.33Å; L292-L294 PolarHBondContact O-N 3.4Å
293	G	90	Very high	86.7	Confident	30 Å²	30	40.2 Å²	40.2	31%	0.309	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	31	-177.1	0	0	0	0	0	112.9	R265 E289 N290 M291	R265-G293 WeakPolarHBondContact CG-O 3.32Å; E289-G293 PolarHBondContact O-N 3.44Å; E289-G293 VanDerWaalsContact O-N 3.08Å; N290-G293 PolarHBondContact O-N 3.08Å; M291-G293 VanDerWaalsContact C-N 3.28Å; M291-G293 PolarHBondContact O-N 3.22Å
294	L	90.3	Very high	86.5	Confident	9 Å²	9	36.1 Å²	36.1	5%	0.047	19%	0.194	C	C	.	.			trans	-74.3	140.4	176.8	-52.3	-177.2	0	0	0	109.1	D109 I111 R265 I273 E289 L292 V296 C299	D109-L294 HydrophobicContact CB-CD2 4.24Å; I111-L294 HydrophobicContact CD1-CD1 4.12Å; I111-L294 HydrophobicContact CG1-CD1 4.13Å; R265-L294 VanDerWaalsContact NH2-CD2 3.35Å; I273-L294 HydrophobicContact CB-CD2 4.1Å; I273-L294 HydrophobicContact CD1-CD2 4.25Å; I273-L294 HydrophobicContact CG2-CD2 4.38Å; E289-L294 HydrophobicContact CB-CB 4.48Å; E289-L294 PolarHBondContact O-N 3.46Å; L292-L294 VanDerWaalsContact C-N 3.27Å; L292-L294 HydrophobicContact CB-CD1 4.31Å; L292-L294 HydrophobicContact CB-CD2 4.07Å; L292-L294 HydrophobicContact CB-CG 3.81Å; L292-L294 HydrophobicContact CD1-CD1 4.33Å; L292-L294 PolarHBondContact O-N 3.4Å; L294-V296 PolarHBondContact O-N 3.06Å; L294-C299 HydrophobicContact CB-CB 4.3Å
295	N	85.5	Confident	86	Confident	71 Å²	71	38.2 Å²	38.2	38%	0.38	21%	0.209	S	C	.	.			trans	-73.1	112.5	174.6	-179.8	-54.3	0	0	0	108.9	D297 K298 C299	N295-D297 PolarHBondContact O-N 3.12Å; N295-D297 WeakPolarHBondContact OD1-CB 3.47Å; N295-D297 PolarHBondContact OD1-N 3.38Å; N295-K298 HydrophobicContact CB-CB 4.12Å; N295-K298 HydrophobicContact CB-CD 4.47Å; N295-K298 HydrophobicContact CB-CG 4.42Å; N295-K298 PolarHBondContact O-N 3.43Å; N295-K298 PolarHBondContact OD1-N 3.01Å; N295-K298 VanDerWaalsContact OD1-N 3.14Å; N295-C299 VanDerWaalsContact O-CB 3.31Å; N295-C299 WeakPolarHBondContact O-CB 3.4Å; N295-C299 PolarHBondContact O-N 3.12Å
296	V	76.7	Confident	85.5	Confident	50 Å²	50	38.6 Å²	38.6	30%	0.303	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.6	-175.3	178.6	0	0	0	0	112.6	R54 E289 L294	R54-V296 VanDerWaalsContact CZ-CG1 3.45Å; R54-V296 VanDerWaalsContact NH2-CG1 3.27Å; R54-V296 PolarHBondContact NH2-O 2.93Å; E289-V296 HydrophobicContact CB-CG2 4.26Å; L294-V296 PolarHBondContact O-N 3.06Å
297	D	76.2	Confident	85.2	Confident	132 Å²	132	38.6 Å²	38.6	71%	0.706	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-22.8	-179.5	-55.9	-41.6	0	0	0	112.9	N295	N295-D297 PolarHBondContact O-N 3.12Å; N295-D297 WeakPolarHBondContact OD1-CB 3.47Å; N295-D297 PolarHBondContact OD1-N 3.38Å
298	K	84	Confident	85.1	Confident	138 Å²	138	38.8 Å²	38.8	60%	0.6	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-23.5	-175.4	-63.6	-175.3	-179.9	-175.9	0	113.9	R108 N295 L300	R108-K298 PolarHBondContact NE-O 3.21Å; R108-K298 PolarHBondContact NH2-O 2.81Å; N295-K298 HydrophobicContact CB-CB 4.12Å; N295-K298 HydrophobicContact CB-CD 4.47Å; N295-K298 HydrophobicContact CB-CG 4.42Å; N295-K298 PolarHBondContact O-N 3.43Å; N295-K298 PolarHBondContact OD1-N 3.01Å; N295-K298 VanDerWaalsContact OD1-N 3.14Å; K298-L300 PolarHBondContact O-N 2.63Å
299	C	89.8	Confident	84.8	Confident	11 Å²	11	44 Å²	44	7%	0.074	23%	0.232	C	C	.	.			trans	-66.8	128.1	178.1	-175.5	0	0	0	0	109.8	D109 L294 N295	D109-C299 HydrophobicContact CB-CB 4.42Å; L294-C299 HydrophobicContact CB-CB 4.3Å; N295-C299 VanDerWaalsContact O-CB 3.31Å; N295-C299 WeakPolarHBondContact O-CB 3.4Å; N295-C299 PolarHBondContact O-N 3.12Å
300	L	90.7	Very high	84.8	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.7	177.1	-177.9	65.6	0	0	0	109.3	Y68 A103 D109 V110 I111 K298 L302	Y68-L300 HydrophobicContact CD2-CD2 3.88Å; Y68-L300 HydrophobicContact CE2-CD2 4.04Å; A103-L300 HydrophobicContact CB-CD2 3.66Å; D109-L300 PolarHBondContact O-N 3.3Å; V110-L300 CarbonylContact C-O 3.51Å; V110-L300 VanDerWaalsContact CA-O 3.27Å; V110-L300 WeakPolarHBondContact CA-O 3.28Å; V110-L300 HydrophobicContact CG2-CB 4.42Å; I111-L300 PolarHBondContact N-O 3.19Å; K298-L300 PolarHBondContact O-N 2.63Å; L300-L302 HydrophobicContact CD1-CD2 4.15Å; L300-L302 HydrophobicContact CD2-CD1 4.08Å; L300-L302 HydrophobicContact CD2-CD2 3.92Å; L300-L302 HydrophobicContact CD2-CG 4.04Å; L300-L302 HydrophobicContact CG-CD1 4.5Å; L300-L302 HydrophobicContact CG-CD2 3.84Å; L300-L302 HydrophobicContact CG-CG 3.94Å
301	V	89.1	Confident	85.1	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.6	174.9	-177.9	0	0	0	0	108.9	I58 S61 I111 I285	I58-V301 HydrophobicContact CD1-CG1 4.19Å; I58-V301 HydrophobicContact CD1-CG2 4.48Å; I58-V301 HydrophobicContact CG1-CB 4.18Å; I58-V301 HydrophobicContact CG1-CG1 4.23Å; I58-V301 HydrophobicContact CG1-CG2 4.38Å; I58-V301 HydrophobicContact CG2-CB 4.19Å; I58-V301 HydrophobicContact CG2-CG1 3.72Å; S61-V301 PolarHBondContact OG-O 3.36Å; S61-V301 VanDerWaalsContact OG-O 3.12Å; I111-V301 HydrophobicContact CB-CG2 4.4Å; I111-V301 WeakPolarHBondContact O-CA 3.42Å; I285-V301 HydrophobicContact CD1-CG1 3.95Å; I285-V301 HydrophobicContact CG2-CG1 4.15Å; I285-V301 HydrophobicContact CG2-CG2 3.93Å
302	L	88.5	Confident	85.5	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.4	179.6	-65.6	-179	0	0	0	109.1	L96 T99 A100 V110 I111 L112 V113 L300	L96-L302 HydrophobicContact CD1-CB 4.17Å; L96-L302 HydrophobicContact CD2-CD2 4.34Å; T99-L302 HydrophobicContact CG2-CD1 3.83Å; T99-L302 HydrophobicContact CG2-CD2 3.95Å; A100-L302 HydrophobicContact CB-CD1 3.76Å; V110-L302 HydrophobicContact CG1-CD1 4.08Å; V110-L302 HydrophobicContact CG1-CG 4.39Å; I111-L302 PolarHBondContact O-N 3.4Å; L112-L302 HydrophobicContact CD1-CB 3.64Å; L112-L302 HydrophobicContact CD1-CD1 4.35Å; V113-L302 PolarHBondContact N-O 2.72Å; L300-L302 HydrophobicContact CD1-CD2 4.15Å; L300-L302 HydrophobicContact CD2-CD1 4.08Å; L300-L302 HydrophobicContact CD2-CD2 3.92Å; L300-L302 HydrophobicContact CD2-CG 4.04Å; L300-L302 HydrophobicContact CG-CD1 4.5Å; L300-L302 HydrophobicContact CG-CD2 3.84Å; L300-L302 HydrophobicContact CG-CG 3.94Å
303	R	84.5	Confident	85.8	Confident	52 Å²	52	39.3 Å²	39.3	20%	0.196	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.5	-177.4	-174.2	173	-173.5	-159	-3.6	110.8	V113 Y306 L487 G488	V113-R303 HydrophobicContact CB-CB 4.24Å; V113-R303 HydrophobicContact CB-CG 4.04Å; V113-R303 HydrophobicContact CG1-CG 4.23Å; V113-R303 WeakPolarHBondContact O-CA 3.49Å; R303-Y306 PolarHBondContact NE-OH 2.86Å; R303-Y306 PolarHBondContact NH2-OH 3.33Å; R303-L487 PolarHBondContact NH2-O 3.32Å; R303-G488 PolarHBondContact NH1-O 3.5Å; R303-G488 VanDerWaalsContact NH2-C 3.32Å; R303-G488 PolarHBondContact NH2-O 2.9Å
304	T	76.7	Confident	86.1	Confident	33 Å²	33	38.1 Å²	38.1	20%	0.202	19%	0.194	C	C	.	.			trans	-93.4	164.1	165.5	63.5	0	0	0	0	110.5	L96 V113 M114 P115	L96-T304 HydrophobicContact CB-CG2 4.47Å; L96-T304 HydrophobicContact CD1-CG2 3.46Å; L96-T304 VanDerWaalsContact CD1-CG2 3.46Å; L96-T304 HydrophobicContact CG-CG2 4Å; V113-T304 PolarHBondContact O-N 3.45Å; M114-T304 HydrophobicContact CG-CG2 4.38Å; P115-T304 WeakPolarHBondContact CD-OG1 3.34Å
305	S	75.7	Confident	86.5	Confident	49 Å²	49	38.1 Å²	38.1	34%	0.343	19%	0.194	S	C	.	.			trans	-58.6	149.6	163.6	179.8	0	0	0	0	110.6	N307 D489	S305-N307 VanDerWaalsContact C-N 3.26Å; S305-N307 WeakPolarHBondContact OG-CB 3.17Å; S305-N307 PolarHBondContact OG-N 2.93Å; S305-D489 PolarHBondContact OG-OD2 2.84Å
306	Y	75.4	Confident	86.8	Confident	7 Å²	7	35.8 Å²	35.8	3%	0.027	18%	0.18	C	C	.	.			trans	-83.9	-6.9	175.2	-65	-100.7	0	0	0	112	V113 A278 A280 R303 R308 Y424 L487 D489	V113-Y306 HydrophobicContact CG1-CE1 4.44Å; V113-Y306 WeakPolarHBondContact CG1-OH 3.2Å; A278-Y306 WeakPolarHBondContact O-CE1 3.27Å; A280-Y306 PolarHBondContact O-OH 3.44Å; A280-Y306 VanDerWaalsContact O-OH 3.06Å; R303-Y306 PolarHBondContact NE-OH 2.86Å; R303-Y306 PolarHBondContact NH2-OH 3.33Å; Y306-R308 PolarHBondContact O-N 3.39Å; Y306-Y424 VanDerWaalsContact CA-OH 3.3Å; Y306-Y424 WeakPolarHBondContact CA-OH 3.1Å; Y306-Y424 WeakPolarHBondContact CB-OH 3.29Å; Y306-Y424 AromaticContact CD1-CE1 3.78Å; Y306-Y424 HydrophobicContact CD1-CE1 3.78Å; Y306-Y424 AromaticContact CD1-CZ 3.91Å; Y306-Y424 WeakPolarHBondContact O-CE2 3.02Å; Y306-Y424 PolarHBondContact O-OH 2.86Å; Y306-L487 HydrophobicContact CD1-CB 4.1Å; Y306-L487 HydrophobicContact CD1-CD1 3.49Å; Y306-L487 VanDerWaalsContact CD1-CD1 3.49Å; Y306-L487 HydrophobicContact CD1-CG 4.31Å; Y306-L487 HydrophobicContact CE1-CB 4.08Å; Y306-L487 HydrophobicContact CE1-CD1 4.07Å; Y306-L487 HydrophobicContact CE1-CG 4.47Å; Y306-L487 HydrophobicContact CG-CB 4.28Å; Y306-L487 HydrophobicContact CG-CD1 3.97Å; Y306-D489 HydrophobicContact CD2-CB 3.51Å; Y306-D489 WeakPolarHBondContact CD2-OD2 3.18Å; Y306-D489 HydrophobicContact CE2-CB 4.03Å; Y306-D489 HydrophobicContact CG-CB 4.39Å; Y306-D489 PolarHBondContact N-OD2 2.9Å
307	N	78.6	Confident	87.5	Confident	37 Å²	37	35.7 Å²	35.7	20%	0.198	18%	0.18	C	C	.	.			trans	-69.4	118.1	-177.4	-174	23	0	0	0	111.4	S305 E309 R480 W492	S305-N307 VanDerWaalsContact C-N 3.26Å; S305-N307 WeakPolarHBondContact OG-CB 3.17Å; S305-N307 PolarHBondContact OG-N 2.93Å; N307-E309 WeakPolarHBondContact ND2-CG 3.38Å; N307-R480 PolarHBondContact OD1-NH1 2.95Å; N307-R480 PolarHBondContact OD1-NH2 2.76Å; N307-W492 VanDerWaalsContact CG-CD1 3.48Å; N307-W492 VanDerWaalsContact CG-NE1 3.34Å; N307-W492 PolarHBondContact ND2-NE1 2.95Å; N307-W492 PolarHBondContact OD1-NE1 2.97Å
308	R	84.9	Confident	88.2	Confident	37 Å²	37	30.3 Å²	30.3	14%	0.14	15%	0.152	C	C	.	.			trans	-107.8	76.8	176.2	-71	-76.9	-66.2	162.1	4.1	109.8	Y306 N310 L311 G431 R480	Y306-R308 PolarHBondContact O-N 3.39Å; R308-N310 PolarHBondContact O-N 3.03Å; R308-L311 HydrophobicContact CB-CB 4.29Å; R308-L311 HydrophobicContact CB-CD1 3.73Å; R308-L311 HydrophobicContact CB-CG 3.85Å; R308-L311 HydrophobicContact CG-CD1 4.24Å; R308-L311 WeakPolarHBondContact O-CB 3.37Å; R308-L311 PolarHBondContact O-N 3.27Å; R308-G431 PolarHBondContact NH2-O 3.01Å; R308-R480 PolarHBondContact O-NH2 2.85Å
309	E	85.5	Confident	88.1	Confident	111 Å²	111	26.3 Å²	26.3	52%	0.519	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-27.2	-166.8	-70.6	-170	-149.3	0	0	115.1	N307 L311 R480 K498	N307-E309 WeakPolarHBondContact ND2-CG 3.38Å; E309-L311 VanDerWaalsContact C-N 3.29Å; E309-L311 PolarHBondContact O-N 3.11Å; E309-R480 VanDerWaalsContact CA-NH2 3.33Å; E309-K498 IonicContact OE2-NZ 2.71Å; E309-K498 PolarHBondContact OE2-NZ 3.4Å
310	N	90.7	Very high	87.8	Confident	25 Å²	25	28.6 Å²	28.6	13%	0.134	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.1	177.9	69.9	-61.7	0	0	0	114.7	R308 G431 S434 N435 S436 A437	R308-N310 PolarHBondContact O-N 3.03Å; N310-G431 WeakPolarHBondContact ND2-CA 3.46Å; N310-G431 PolarHBondContact ND2-O 3.5Å; N310-S434 WeakPolarHBondContact CB-O 3.23Å; N310-N435 PolarHBondContact ND2-O 3.26Å; N310-S436 CarbonylContact O-C 3.51Å; N310-S436 VanDerWaalsContact O-CA 3.29Å; N310-S436 WeakPolarHBondContact O-CA 3.31Å; N310-A437 PolarHBondContact O-N 3.27Å
311	L	94	Very high	87.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.8	-178.9	-61.9	-172.1	0	0	0	112.5	R308 E309 Y313 A430 A437 R480	R308-L311 HydrophobicContact CB-CB 4.29Å; R308-L311 HydrophobicContact CB-CD1 3.73Å; R308-L311 HydrophobicContact CB-CG 3.85Å; R308-L311 HydrophobicContact CG-CD1 4.24Å; R308-L311 WeakPolarHBondContact O-CB 3.37Å; R308-L311 PolarHBondContact O-N 3.27Å; E309-L311 VanDerWaalsContact C-N 3.29Å; E309-L311 PolarHBondContact O-N 3.11Å; L311-Y313 HydrophobicContact CB-CD2 4.47Å; L311-Y313 HydrophobicContact CB-CE2 3.79Å; L311-A430 HydrophobicContact CD2-CB 3.71Å; L311-A430 WeakPolarHBondContact CD2-O 3.18Å; L311-A437 WeakPolarHBondContact CA-O 3.41Å; L311-A437 HydrophobicContact CD2-CB 3.92Å; L311-R480 PolarHBondContact O-NE 3.27Å
312	N	97	Very high	87.7	Confident	15 Å²	15	36 Å²	36	8%	0.08	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.3	174.3	-50.7	-62.5	0	0	0	110.5	Y314 S436 A437 D438 C439 A500	N312-Y314 HydrophobicContact CB-CD2 4.37Å; N312-Y314 HydrophobicContact CB-CE2 3.46Å; N312-Y314 VanDerWaalsContact CB-CE2 3.46Å; N312-S436 PolarHBondContact ND2-OG 3.5Å; N312-S436 VanDerWaalsContact ND2-OG 3.14Å; N312-A437 PolarHBondContact N-O 2.82Å; N312-D438 WeakPolarHBondContact CB-OD1 3.37Å; N312-D438 PolarHBondContact ND2-OD1 2.93Å; N312-C439 PolarHBondContact O-N 2.85Å; N312-A500 CarbonylContact C-O 3.57Å; N312-A500 VanDerWaalsContact CA-O 3.26Å; N312-A500 WeakPolarHBondContact CA-O 3.14Å
313	Y	97.3	Very high	87.8	Confident	6 Å²	6	43 Å²	43	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.7	-176.3	-74.9	-91.5	0	0	0	112.7	L311 Y423 S427 C439 Y471 R480 I483 A500 C501 D502	L311-Y313 HydrophobicContact CB-CD2 4.47Å; L311-Y313 HydrophobicContact CB-CE2 3.79Å; Y313-Y423 AromaticContact CD1-CE1 3.88Å; Y313-Y423 HydrophobicContact CD1-CE1 3.88Å; Y313-Y423 WeakPolarHBondContact CD1-OH 3.19Å; Y313-Y423 AromaticContact CE1-CE1 3.81Å; Y313-Y423 HydrophobicContact CE1-CE1 3.81Å; Y313-S427 PolarHBondContact OH-OG 2.79Å; Y313-C439 WeakPolarHBondContact CA-O 3.37Å; Y313-C439 HydrophobicContact CD1-CB 3.78Å; Y313-C439 HydrophobicContact CE1-CB 3.81Å; Y313-C439 HydrophobicContact CG-CB 4.36Å; Y313-Y471 WeakPolarHBondContact CD1-OH 3.37Å; Y313-R480 HydrophobicContact CD2-CG 3.8Å; Y313-R480 HydrophobicContact CE2-CG 4.33Å; Y313-I483 HydrophobicContact CD1-CD1 3.85Å; Y313-I483 HydrophobicContact CE1-CD1 3.55Å; Y313-I483 HydrophobicContact CE2-CD1 4.33Å; Y313-I483 HydrophobicContact CG-CD1 4.35Å; Y313-A500 PolarHBondContact N-O 2.9Å; Y313-C501 CarbonylContact O-C 3.42Å; Y313-C501 WeakPolarHBondContact O-CA 3.44Å; Y313-C501 WeakPolarHBondContact O-CB 3.3Å; Y313-D502 PolarHBondContact O-N 3.31Å
314	Y	97.7	Very high	88.2	Confident	5 Å²	5	43 Å²	43	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135.8	-177.7	-57.6	-83.8	0	0	0	111.1	N312 D438 C439 I440 L441 D502 Q505 F634 V636	N312-Y314 HydrophobicContact CB-CD2 4.37Å; N312-Y314 HydrophobicContact CB-CE2 3.46Å; N312-Y314 VanDerWaalsContact CB-CE2 3.46Å; Y314-D438 HydrophobicContact CD2-CB 4.46Å; Y314-D438 HydrophobicContact CE2-CB 4.19Å; Y314-C439 PolarHBondContact N-O 3.47Å; Y314-I440 HydrophobicContact CD2-CG1 4.05Å; Y314-I440 CarbonylContact O-C 3.6Å; Y314-I440 WeakPolarHBondContact O-CA 3.22Å; Y314-L441 PolarHBondContact O-N 2.83Å; Y314-D502 HydrophobicContact CD1-CB 3.92Å; Y314-Q505 PolarHBondContact OH-NE2 2.97Å; Y314-F634 HydrophobicContact CD1-CE1 4.31Å; Y314-F634 HydrophobicContact CD1-CE2 4.34Å; Y314-F634 AromaticContact CD1-CZ 3.49Å; Y314-F634 HydrophobicContact CD1-CZ 3.49Å; Y314-F634 VanDerWaalsContact CD1-CZ 3.49Å; Y314-F634 HydrophobicContact CE1-CZ 4.25Å; Y314-F634 HydrophobicContact CG-CE1 4.3Å; Y314-F634 AromaticContact CG-CZ 3.71Å; Y314-F634 HydrophobicContact CG-CZ 3.71Å; Y314-V636 HydrophobicContact CE2-CG1 4.3Å
315	V	96.9	Very high	89.1	Confident	8 Å²	8	41.4 Å²	41.4	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.2	166.1	-177.9	0	0	0	0	108.4	L441 W443 Y471 C472 D502	V315-L441 WeakPolarHBondContact CA-O 3.02Å; V315-L441 HydrophobicContact CG1-CD2 4.13Å; V315-L441 HydrophobicContact CG2-CB 4.45Å; V315-W443 HydrophobicContact CG1-CB 3.89Å; V315-Y471 HydrophobicContact CG2-CD1 4.26Å; V315-Y471 HydrophobicContact CG2-CE1 3.61Å; V315-C472 HydrophobicContact CG1-CB 4.42Å; V315-C472 WeakPolarHBondContact CG1-O 3.44Å; V315-D502 PolarHBondContact N-OD2 3.34Å; V315-D502 VanDerWaalsContact N-OD2 3.1Å
316	K	93.7	Very high	90.1	Very high	22 Å²	22	39 Å²	39	10%	0.096	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	108.3	172.9	-179	66.3	174.4	178.2	0	108.5	V318 Y328 L441 M442 W443 E631 F634	K316-V318 HydrophobicContact CG-CG2 4.04Å; K316-V318 WeakPolarHBondContact O-CG2 3.4Å; K316-V318 PolarHBondContact O-N 3.21Å; K316-Y328 HydrophobicContact CG-CE1 4.27Å; K316-Y328 WeakPolarHBondContact CG-OH 3.24Å; K316-L441 PolarHBondContact N-O 3.34Å; K316-M442 CarbonylContact O-C 3.58Å; K316-M442 WeakPolarHBondContact O-CA 3.44Å; K316-W443 PolarHBondContact O-N 3.49Å; K316-E631 IonicContact NZ-OE2 3.2Å; K316-E631 PolarHBondContact NZ-OE2 2.99Å; K316-F634 HydrophobicContact CD-CD2 4.02Å
317	P	91.5	Very high	91.1	Very high	48 Å²	48	44 Å²	44	31%	0.312	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	132.9	166.1	-22.3	34.3	0	0	0	109.9
318	V	89.5	Confident	91.9	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.115	24%	0.244	C	C	.	.			trans	-130.4	125.3	178.7	-169.5	0	0	0	0	108.9	K316 S325 M442 W443 R444	K316-V318 HydrophobicContact CG-CG2 4.04Å; K316-V318 WeakPolarHBondContact O-CG2 3.4Å; K316-V318 PolarHBondContact O-N 3.21Å; V318-S325 WeakPolarHBondContact CG1-OG 3.47Å; V318-M442 HydrophobicContact CG1-CE 4.4Å; V318-M442 HydrophobicContact CG2-CB 3.91Å; V318-M442 HydrophobicContact CG2-CE 3.9Å; V318-M442 HydrophobicContact CG2-CG 4.16Å; V318-W443 PolarHBondContact N-O 2.77Å; V318-R444 HydrophobicContact CB-CG 4.35Å; V318-R444 WeakPolarHBondContact O-CG 3.48Å
319	S	81.7	Confident	92.4	Very high	55 Å²	55	42 Å²	42	39%	0.385	24%	0.237	S	C	.	.			trans	-111.9	159.8	174.9	-70.6	0	0	0	0	110.7
320	G	83.5	Confident	93	Very high	58 Å²	58	39.3 Å²	39.3	60%	0.598	22%	0.223	S	C	*	.	S	Bend	trans	100	-164.8	173.9	0	0	0	0	0	115.1	R444	G320-R444 PolarHBondContact O-NH2 2.83Å
321	S	87.9	Confident	93.3	Very high	69 Å²	69	41.5 Å²	41.5	48%	0.483	23%	0.232	S	C	.	.			trans	-69.1	154.3	-173.7	71.5	0	0	0	0	112.4	K323 A324 S325 R444	S321-K323 PolarHBondContact O-N 3.15Å; S321-A324 PolarHBondContact O-N 2.83Å; S321-A324 VanDerWaalsContact O-N 3.15Å; S321-A324 PolarHBondContact OG-N 3.38Å; S321-S325 PolarHBondContact O-N 3.12Å; S321-R444 PolarHBondContact O-NH2 3.07Å
322	I	89.6	Confident	93.4	Very high	95 Å²	95	41.8 Å²	41.8	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-54.7	-44.7	175.6	-72.4	77.4	0	0	0	110	A324 S325 V326 F414	I322-A324 VanDerWaalsContact C-N 3.32Å; I322-A324 PolarHBondContact O-N 3.42Å; I322-S325 CarbonylContact O-C 3.36Å; I322-S325 WeakPolarHBondContact O-CA 3.38Å; I322-S325 WeakPolarHBondContact O-CB 3.39Å; I322-S325 PolarHBondContact O-N 3.37Å; I322-V326 HydrophobicContact CG2-CG2 4.21Å; I322-V326 WeakPolarHBondContact O-CG2 3.47Å; I322-V326 PolarHBondContact O-N 3.2Å; I322-F414 HydrophobicContact CG2-CE1 4.47Å; I322-F414 HydrophobicContact CG2-CZ 4.34Å
323	K	92	Very high	93.4	Very high	153 Å²	153	41 Å²	41	67%	0.665	23%	0.23	S	C	*	.	H	α-helix	trans	-55.3	-43.3	177.5	-64.8	-173	178.3	-175.1	0	113	S321 S325 V326 K327	S321-K323 PolarHBondContact O-N 3.15Å; K323-S325 VanDerWaalsContact C-N 3.29Å; K323-S325 PolarHBondContact O-N 3.43Å; K323-V326 PolarHBondContact O-N 3.02Å; K323-K327 PolarHBondContact O-N 2.73Å
324	A	92.8	Very high	93.3	Very high	50 Å²	50	44.3 Å²	44.3	41%	0.413	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-36.9	176.8	0	0	0	0	0	111.7	S321 I322 K327 Y328	S321-A324 PolarHBondContact O-N 2.83Å; S321-A324 VanDerWaalsContact O-N 3.15Å; S321-A324 PolarHBondContact OG-N 3.38Å; I322-A324 VanDerWaalsContact C-N 3.32Å; I322-A324 PolarHBondContact O-N 3.42Å; A324-K327 PolarHBondContact O-N 2.77Å; A324-Y328 PolarHBondContact O-N 3.15Å
325	S	94.4	Very high	93.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-37.6	174.5	-64.1	0	0	0	0	113.2	V318 S321 I322 K323 K327 Y328 L329 R444	V318-S325 WeakPolarHBondContact CG1-OG 3.47Å; S321-S325 PolarHBondContact O-N 3.12Å; I322-S325 CarbonylContact O-C 3.36Å; I322-S325 WeakPolarHBondContact O-CA 3.38Å; I322-S325 WeakPolarHBondContact O-CB 3.39Å; I322-S325 PolarHBondContact O-N 3.37Å; K323-S325 VanDerWaalsContact C-N 3.29Å; K323-S325 PolarHBondContact O-N 3.43Å; S325-K327 VanDerWaalsContact C-N 3.35Å; S325-Y328 PolarHBondContact O-N 3.42Å; S325-L329 WeakPolarHBondContact O-CB 3.32Å; S325-L329 PolarHBondContact O-N 2.64Å; S325-R444 VanDerWaalsContact OG-CZ 3.31Å; S325-R444 PolarHBondContact OG-NE 3.39Å; S325-R444 VanDerWaalsContact OG-NE 3.15Å; S325-R444 PolarHBondContact OG-NH2 2.73Å
326	V	96.8	Very high	93	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-39.9	174.8	-178.5	0	0	0	0	110.8	I322 K323 Y328 L329 Y330 V355 E358 L359 F362 F414	I322-V326 HydrophobicContact CG2-CG2 4.21Å; I322-V326 WeakPolarHBondContact O-CG2 3.47Å; I322-V326 PolarHBondContact O-N 3.2Å; K323-V326 PolarHBondContact O-N 3.02Å; V326-Y328 PolarHBondContact O-N 3.45Å; V326-L329 WeakPolarHBondContact O-CB 3.34Å; V326-L329 PolarHBondContact O-N 3.1Å; V326-Y330 PolarHBondContact O-N 3.13Å; V326-V355 HydrophobicContact CG2-CG1 4.48Å; V326-V355 HydrophobicContact CG2-CG2 3.99Å; V326-E358 HydrophobicContact CB-CG 4.29Å; V326-E358 WeakPolarHBondContact CB-OE2 3.4Å; V326-E358 HydrophobicContact CG1-CB 3.87Å; V326-E358 HydrophobicContact CG1-CG 3.6Å; V326-E358 WeakPolarHBondContact CG2-OE2 3.35Å; V326-L359 HydrophobicContact CG1-CD2 3.89Å; V326-L359 HydrophobicContact CG1-CG 4.14Å; V326-F362 HydrophobicContact CG1-CE2 4.45Å; V326-F414 HydrophobicContact CG2-CE2 4.09Å; V326-F414 HydrophobicContact CG2-CZ 3.74Å
327	K	96.2	Very high	93.1	Very high	110 Å²	110	48.8 Å²	48.8	48%	0.478	27%	0.268	S	S	.	.	H	α-helix	trans	-59.2	-46.6	172.4	-176.1	177.1	176.6	-178.6	0	111.9	K323 A324 S325 L329 Y330 E331 F362	K323-K327 PolarHBondContact O-N 2.73Å; A324-K327 PolarHBondContact O-N 2.77Å; S325-K327 VanDerWaalsContact C-N 3.35Å; K327-L329 VanDerWaalsContact C-N 3.32Å; K327-L329 PolarHBondContact O-N 3.41Å; K327-Y330 WeakPolarHBondContact O-CB 3.43Å; K327-Y330 PolarHBondContact O-N 2.82Å; K327-E331 WeakPolarHBondContact CE-OE1 3.34Å; K327-E331 WeakPolarHBondContact O-CG 3.09Å; K327-E331 PolarHBondContact O-N 3.24Å; K327-F362 HydrophobicContact CB-CZ 4.45Å
328	Y	95.5	Very high	93.2	Very high	33 Å²	33	51.3 Å²	51.3	13%	0.129	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-42.1	175	173.9	-90.9	0	0	0	112.1	K316 A324 S325 V326 Y330 E331 L332 M442 F634	K316-Y328 HydrophobicContact CG-CE1 4.27Å; K316-Y328 WeakPolarHBondContact CG-OH 3.24Å; A324-Y328 PolarHBondContact O-N 3.15Å; S325-Y328 PolarHBondContact O-N 3.42Å; V326-Y328 PolarHBondContact O-N 3.45Å; Y328-Y330 VanDerWaalsContact C-N 3.35Å; Y328-Y330 PolarHBondContact O-N 3.4Å; Y328-E331 PolarHBondContact O-N 2.97Å; Y328-L332 HydrophobicContact CE1-CD2 4.27Å; Y328-L332 WeakPolarHBondContact O-CB 3.36Å; Y328-L332 PolarHBondContact O-N 3.35Å; Y328-M442 HydrophobicContact CD1-CE 3.69Å; Y328-M442 HydrophobicContact CD1-SD 4.26Å; Y328-M442 HydrophobicContact CE1-CE 4.31Å; Y328-M442 HydrophobicContact CE1-SD 4.47Å; Y328-F634 HydrophobicContact CE2-CB 4.35Å; Y328-F634 WeakPolarHBondContact OH-CB 2.99Å; Y328-F634 WeakPolarHBondContact OH-CG 3.12Å
329	L	96.8	Very high	93.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-44.6	176.2	177.1	62.6	0	0	0	111.5	S325 V326 K327 L332 I333 V344 V355 L359 I412 F414 M442	S325-L329 WeakPolarHBondContact O-CB 3.32Å; S325-L329 PolarHBondContact O-N 2.64Å; V326-L329 WeakPolarHBondContact O-CB 3.34Å; V326-L329 PolarHBondContact O-N 3.1Å; K327-L329 VanDerWaalsContact C-N 3.32Å; K327-L329 PolarHBondContact O-N 3.41Å; L329-L332 PolarHBondContact O-N 2.89Å; L329-I333 HydrophobicContact CD1-CD1 3.79Å; L329-I333 HydrophobicContact CD1-CG1 4.29Å; L329-I333 HydrophobicContact CG-CD1 3.92Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.4Å; L329-I333 PolarHBondContact O-N 3.05Å; L329-V344 HydrophobicContact CD1-CG2 4.25Å; L329-V344 HydrophobicContact CD2-CG1 3.86Å; L329-V344 HydrophobicContact CD2-CG2 4.21Å; L329-V355 HydrophobicContact CD2-CG1 3.96Å; L329-L359 HydrophobicContact CD2-CD1 3.86Å; L329-L359 HydrophobicContact CD2-CD2 4.29Å; L329-L359 HydrophobicContact CG-CD1 4.41Å; L329-L359 HydrophobicContact CG-CD2 4.24Å; L329-I412 HydrophobicContact CD1-CB 4.32Å; L329-I412 HydrophobicContact CD1-CD1 3.61Å; L329-I412 HydrophobicContact CD1-CG2 3.78Å; L329-F414 HydrophobicContact CD2-CD2 3.88Å; L329-F414 HydrophobicContact CD2-CE2 4.31Å; L329-M442 HydrophobicContact CB-SD 4.42Å; L329-M442 HydrophobicContact CD1-SD 4.3Å
330	Y	97.5	Very high	94	Very high	54 Å²	54	57.1 Å²	57.1	21%	0.212	30%	0.302	C	S	.	.	H	α-helix	trans	-58.8	-51.4	173.8	162	-106	0	0	0	111.7	V326 K327 Y328 L332 I333 N334 F362 L364	V326-Y330 PolarHBondContact O-N 3.13Å; K327-Y330 WeakPolarHBondContact O-CB 3.43Å; K327-Y330 PolarHBondContact O-N 2.82Å; Y328-Y330 VanDerWaalsContact C-N 3.35Å; Y328-Y330 PolarHBondContact O-N 3.4Å; Y330-L332 VanDerWaalsContact C-N 3.29Å; Y330-L332 PolarHBondContact O-N 2.8Å; Y330-I333 PolarHBondContact O-N 2.88Å; Y330-N334 HydrophobicContact CD2-CB 4.29Å; Y330-N334 HydrophobicContact CE2-CB 3.87Å; Y330-N334 VanDerWaalsContact O-CB 3.24Å; Y330-N334 WeakPolarHBondContact O-CB 3.47Å; Y330-N334 PolarHBondContact O-N 3Å; Y330-N334 PolarHBondContact OH-ND2 3.14Å; Y330-F362 HydrophobicContact CD1-CB 4.21Å; Y330-F362 HydrophobicContact CD1-CD1 4.24Å; Y330-F362 HydrophobicContact CD1-CD2 4.4Å; Y330-F362 HydrophobicContact CD1-CG 4.06Å; Y330-F362 HydrophobicContact CD2-CB 3.41Å; Y330-F362 VanDerWaalsContact CD2-CB 3.41Å; Y330-F362 HydrophobicContact CD2-CD2 4.41Å; Y330-F362 HydrophobicContact CD2-CG 4.05Å; Y330-F362 HydrophobicContact CE1-CB 4.35Å; Y330-F362 HydrophobicContact CE1-CD1 4.39Å; Y330-F362 HydrophobicContact CE1-CG 4.45Å; Y330-F362 HydrophobicContact CE2-CB 3.6Å; Y330-F362 HydrophobicContact CE2-CG 4.46Å; Y330-F362 HydrophobicContact CG-CB 3.75Å; Y330-F362 HydrophobicContact CG-CD1 4.48Å; Y330-F362 AromaticContact CG-CD2 3.96Å; Y330-F362 HydrophobicContact CG-CD2 3.96Å; Y330-F362 AromaticContact CG-CG 3.84Å; Y330-F362 HydrophobicContact CG-CG 3.84Å; Y330-L364 HydrophobicContact CD2-CD1 3.81Å; Y330-L364 HydrophobicContact CD2-CD2 4.5Å; Y330-L364 HydrophobicContact CD2-CG 3.89Å; Y330-L364 HydrophobicContact CE2-CD2 4.5Å; Y330-L364 HydrophobicContact CE2-CG 4.19Å
331	E	96.6	Very high	94.6	Very high	71 Å²	71	55 Å²	55	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-59	-41.7	-179.8	-72.3	172.3	-176.7	0	0	111.6	K327 Y328 K335	K327-E331 WeakPolarHBondContact CE-OE1 3.34Å; K327-E331 WeakPolarHBondContact O-CG 3.09Å; K327-E331 PolarHBondContact O-N 3.24Å; Y328-E331 PolarHBondContact O-N 2.97Å; E331-K335 WeakPolarHBondContact O-CB 3.37Å; E331-K335 PolarHBondContact O-N 3.18Å
332	L	96	Very high	94.9	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-49.5	175.9	177.1	63.7	0	0	0	111.8	Y328 L329 Y330 N336 Y337 I412 I440 F634	Y328-L332 HydrophobicContact CE1-CD2 4.27Å; Y328-L332 WeakPolarHBondContact O-CB 3.36Å; Y328-L332 PolarHBondContact O-N 3.35Å; L329-L332 PolarHBondContact O-N 2.89Å; Y330-L332 VanDerWaalsContact C-N 3.29Å; Y330-L332 PolarHBondContact O-N 2.8Å; L332-N336 WeakPolarHBondContact CD1-ND2 3.14Å; L332-N336 WeakPolarHBondContact O-CB 3.33Å; L332-N336 PolarHBondContact O-N 3.46Å; L332-Y337 HydrophobicContact CD1-CE2 4.25Å; L332-Y337 HydrophobicContact CG-CE2 4.22Å; L332-I412 HydrophobicContact CD2-CD1 3.96Å; L332-I440 HydrophobicContact CD1-CD1 4.33Å; L332-I440 HydrophobicContact CD2-CD1 3.86Å; L332-F634 HydrophobicContact CD1-CD1 4.18Å
333	I	97.1	Very high	95.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-48.5	-179.9	-66.8	166.9	0	0	0	110.8	L329 Y330 K335 Y337 V344 L364 V392 F410 I412	L329-I333 HydrophobicContact CD1-CD1 3.79Å; L329-I333 HydrophobicContact CD1-CG1 4.29Å; L329-I333 HydrophobicContact CG-CD1 3.92Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.4Å; L329-I333 PolarHBondContact O-N 3.05Å; Y330-I333 PolarHBondContact O-N 2.88Å; I333-K335 VanDerWaalsContact C-N 3.29Å; I333-K335 PolarHBondContact O-N 3.33Å; I333-Y337 CarbonylContact O-C 3.46Å; I333-Y337 WeakPolarHBondContact O-CA 3.21Å; I333-Y337 PolarHBondContact O-N 2.96Å; I333-V344 HydrophobicContact CD1-CG2 4.37Å; I333-L364 HydrophobicContact CB-CD1 4.12Å; I333-L364 HydrophobicContact CD1-CD1 4.27Å; I333-L364 HydrophobicContact CG2-CD1 3.86Å; I333-L364 HydrophobicContact CG2-CD2 4.06Å; I333-V392 HydrophobicContact CD1-CG2 4.41Å; I333-V392 HydrophobicContact CG2-CG2 4.26Å; I333-F410 HydrophobicContact CD1-CE2 4.21Å; I333-F410 HydrophobicContact CD1-CZ 4.43Å; I333-F410 HydrophobicContact CG1-CE2 4.04Å; I333-F410 HydrophobicContact CG1-CZ 4.11Å; I333-F410 HydrophobicContact CG2-CZ 4.17Å; I333-I412 HydrophobicContact CD1-CD1 4.36Å; I333-I412 HydrophobicContact CG1-CD1 4.03Å
334	N	94.9	Very high	95.5	Very high	75 Å²	75	40 Å²	40	40%	0.401	20%	0.201	S	C	.	.	H	α-helix	trans	-69.3	-25.5	-176	-166.5	54.9	0	0	0	113	Y330 I338	Y330-N334 HydrophobicContact CD2-CB 4.29Å; Y330-N334 HydrophobicContact CE2-CB 3.87Å; Y330-N334 VanDerWaalsContact O-CB 3.24Å; Y330-N334 WeakPolarHBondContact O-CB 3.47Å; Y330-N334 PolarHBondContact O-N 3Å; Y330-N334 PolarHBondContact OH-ND2 3.14Å; N334-I338 WeakPolarHBondContact O-CD1 3.26Å; N334-I338 WeakPolarHBondContact O-CG1 3.41Å
335	K	94.5	Very high	95.7	Very high	99 Å²	99	37.9 Å²	37.9	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-88	-44.5	177.2	-171.5	-176.7	177.1	-178.3	0	112.8	E331 I333 H635	E331-K335 WeakPolarHBondContact O-CB 3.37Å; E331-K335 PolarHBondContact O-N 3.18Å; I333-K335 VanDerWaalsContact C-N 3.29Å; I333-K335 PolarHBondContact O-N 3.33Å; K335-H635 PolarHBondContact NZ-CE1 3.34Å; K335-H635 VanDerWaalsContact NZ-CE1 3.26Å; K335-H635 PolarHBondContact NZ-NE2 3.44Å
336	N	95.4	Very high	95.7	Very high	29 Å²	29	38.2 Å²	38.2	16%	0.155	19%	0.185	C	C	.	.	H	α-helix	trans	-105	-17.9	-165.6	-63.2	-5.9	0	0	0	114	L332 K641	L332-N336 WeakPolarHBondContact CD1-ND2 3.14Å; L332-N336 WeakPolarHBondContact O-CB 3.33Å; L332-N336 PolarHBondContact O-N 3.46Å; N336-K641 PolarHBondContact O-NZ 3.08Å
337	Y	96	Very high	95.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.			trans	-134.1	31.9	-168.3	-53.8	-68.8	0	0	0	113.1	L332 I333 N339 Q340 Q391 F410 D438 I440	L332-Y337 HydrophobicContact CD1-CE2 4.25Å; L332-Y337 HydrophobicContact CG-CE2 4.22Å; I333-Y337 CarbonylContact O-C 3.46Å; I333-Y337 WeakPolarHBondContact O-CA 3.21Å; I333-Y337 PolarHBondContact O-N 2.96Å; Y337-N339 PolarHBondContact O-N 2.64Å; Y337-Q340 WeakPolarHBondContact O-CB 3.49Å; Y337-Q340 PolarHBondContact O-N 3.3Å; Y337-Q391 PolarHBondContact O-NE2 3.02Å; Y337-F410 VanDerWaalsContact CB-CE1 3.41Å; Y337-F410 HydrophobicContact CD1-CB 4.08Å; Y337-F410 AromaticContact CD1-CD1 3.53Å; Y337-F410 HydrophobicContact CD1-CD1 3.53Å; Y337-F410 HydrophobicContact CD1-CE1 4.29Å; Y337-F410 HydrophobicContact CD1-CG 4.09Å; Y337-F410 HydrophobicContact CD2-CB 4.45Å; Y337-F410 AromaticContact CD2-CD1 3.94Å; Y337-F410 HydrophobicContact CD2-CD1 3.94Å; Y337-F410 HydrophobicContact CD2-CE1 4.3Å; Y337-F410 HydrophobicContact CD2-CG 4.1Å; Y337-F410 HydrophobicContact CE1-CB 3.86Å; Y337-F410 HydrophobicContact CE1-CD1 4.2Å; Y337-F410 HydrophobicContact CE1-CG 4.34Å; Y337-F410 HydrophobicContact CE2-CB 4.24Å; Y337-F410 HydrophobicContact CE2-CG 4.35Å; Y337-F410 HydrophobicContact CG-CB 4.39Å; Y337-F410 AromaticContact CG-CD1 3.39Å; Y337-F410 HydrophobicContact CG-CD1 3.39Å; Y337-F410 AromaticContact CG-CE1 3.77Å; Y337-F410 HydrophobicContact CG-CE1 3.77Å; Y337-F410 AromaticContact CG-CG 3.98Å; Y337-F410 HydrophobicContact CG-CG 3.98Å; Y337-D438 HydrophobicContact CE1-CB 4.4Å; Y337-D438 VanDerWaalsContact CE1-OD2 3.27Å; Y337-D438 WeakPolarHBondContact CE1-OD2 3.47Å; Y337-D438 VanDerWaalsContact OH-CB 3.25Å; Y337-D438 WeakPolarHBondContact OH-CB 3.46Å; Y337-D438 PolarHBondContact OH-OD2 3.05Å; Y337-I440 HydrophobicContact CE2-CD1 4.25Å; Y337-I440 WeakPolarHBondContact OH-CD1 3.21Å
338	I	93.5	Very high	95.4	Very high	101 Å²	101	37.5 Å²	37.5	52%	0.518	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	127.2	175.4	-58.6	171.1	0	0	0	109.7	N334 Q340	N334-I338 WeakPolarHBondContact O-CD1 3.26Å; N334-I338 WeakPolarHBondContact O-CG1 3.41Å; I338-Q340 PolarHBondContact O-N 2.94Å
339	N	91.4	Very high	95.3	Very high	143 Å²	143	38.9 Å²	38.9	77%	0.765	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	15.1	-178.7	-59	-35.7	0	0	0	115.2	Y337	Y337-N339 PolarHBondContact O-N 2.64Å
340	Q	95.6	Very high	95.2	Very high	54 Å²	54	45.7 Å²	45.7	25%	0.252	22%	0.222	S	C	.	.			trans	-101.9	138.9	176.6	-65.4	-179.2	11.1	0	0	110.1	Y337 I338 Q391 R409 F410	Y337-Q340 WeakPolarHBondContact O-CB 3.49Å; Y337-Q340 PolarHBondContact O-N 3.3Å; I338-Q340 PolarHBondContact O-N 2.94Å; Q340-Q391 WeakPolarHBondContact O-CG 3.25Å; Q340-Q391 PolarHBondContact O-NE2 3.25Å; Q340-R409 HydrophobicContact CB-CB 3.91Å; Q340-R409 HydrophobicContact CB-CG 3.84Å; Q340-R409 HydrophobicContact CG-CB 4.41Å; Q340-R409 HydrophobicContact CG-CG 4Å; Q340-F410 WeakPolarHBondContact O-CE1 3.12Å
341	S	95.4	Very high	95.1	Very high	12 Å²	12	44.4 Å²	44.4	8%	0.084	22%	0.219	C	C	.	.			trans	-79.5	141.8	179.2	-65.2	0	0	0	0	111.4	Q391 K405 R409	S341-Q391 VanDerWaalsContact CA-O 3.28Å; S341-Q391 WeakPolarHBondContact CA-O 3.39Å; S341-K405 WeakPolarHBondContact OG-CE 3.49Å; S341-R409 PolarHBondContact O-N 2.97Å
342	G	95.9	Very high	95.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	173	178.7	0	0	0	0	0	114.5	Q391 V392 I393 F410	G342-Q391 PolarHBondContact N-O 2.9Å; G342-Q391 VanDerWaalsContact N-O 3.09Å; G342-V392 WeakPolarHBondContact O-CA 3.46Å; G342-I393 PolarHBondContact O-N 3.42Å; G342-I393 VanDerWaalsContact O-N 3.13Å; G342-F410 WeakPolarHBondContact CA-O 3.39Å
343	I	95.9	Very high	95.2	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.1	-179.6	-50.6	177.3	0	0	0	108.3	Y345 W385 I393 A395 F399 V408 F410 V411 I412 R429	I343-Y345 HydrophobicContact CG2-CD2 4.2Å; I343-Y345 HydrophobicContact CG2-CE1 4.22Å; I343-Y345 HydrophobicContact CG2-CE2 3.85Å; I343-W385 HydrophobicContact CD1-CH2 4.01Å; I343-W385 HydrophobicContact CG1-CH2 3.93Å; I343-W385 HydrophobicContact CG1-CZ2 3.94Å; I343-I393 CarbonylContact C-O 3.53Å; I343-I393 WeakPolarHBondContact CA-O 3.01Å; I343-A395 HydrophobicContact CG2-CB 4.33Å; I343-F399 HydrophobicContact CD1-CD1 4.19Å; I343-F399 HydrophobicContact CD1-CE1 3.75Å; I343-F399 HydrophobicContact CG1-CD1 4.47Å; I343-F399 HydrophobicContact CG1-CE1 3.86Å; I343-F399 HydrophobicContact CG2-CD1 3.79Å; I343-F399 HydrophobicContact CG2-CE1 3.96Å; I343-V408 HydrophobicContact CD1-CG1 4.34Å; I343-V408 HydrophobicContact CG1-CG1 4.16Å; I343-F410 PolarHBondContact N-O 2.92Å; I343-V411 HydrophobicContact CB-CG2 4.45Å; I343-V411 CarbonylContact O-C 3.55Å; I343-V411 WeakPolarHBondContact O-CA 3.33Å; I343-I412 PolarHBondContact O-N 2.99Å; I343-R429 HydrophobicContact CD1-CB 3.99Å
344	V	97.6	Very high	95.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.9	170.9	177.4	0	0	0	0	108.4	L329 I333 V392 I393 V394 A395 I412 F414	L329-V344 HydrophobicContact CD1-CG2 4.25Å; L329-V344 HydrophobicContact CD2-CG1 3.86Å; L329-V344 HydrophobicContact CD2-CG2 4.21Å; I333-V344 HydrophobicContact CD1-CG2 4.37Å; V344-V392 HydrophobicContact CB-CG1 4.46Å; V344-V392 HydrophobicContact CG2-CG1 3.61Å; V344-I393 PolarHBondContact N-O 3.22Å; V344-V394 HydrophobicContact CB-CG1 4.38Å; V344-V394 HydrophobicContact CB-CG2 4.34Å; V344-V394 HydrophobicContact CG1-CG1 4.3Å; V344-V394 CarbonylContact O-C 3.6Å; V344-V394 WeakPolarHBondContact O-CA 3.3Å; V344-A395 PolarHBondContact O-N 2.89Å; V344-I412 CarbonylContact C-O 3.54Å; V344-I412 WeakPolarHBondContact CA-O 3.47Å; V344-I412 HydrophobicContact CG2-CB 4.35Å; V344-F414 HydrophobicContact CG1-CB 3.87Å
345	Y	96.4	Very high	95.3	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.3	175.2	-75	-66.3	0	0	0	112.1	I343 A395 V411 I412 H413 F414 S415 E426 R429	I343-Y345 HydrophobicContact CG2-CD2 4.2Å; I343-Y345 HydrophobicContact CG2-CE1 4.22Å; I343-Y345 HydrophobicContact CG2-CE2 3.85Å; Y345-A395 CarbonylContact C-O 3.5Å; Y345-A395 VanDerWaalsContact CA-O 3.27Å; Y345-A395 WeakPolarHBondContact CA-O 3.31Å; Y345-A395 HydrophobicContact CD1-CB 4.12Å; Y345-A395 HydrophobicContact CE1-CB 4.13Å; Y345-V411 HydrophobicContact CD2-CG1 3.73Å; Y345-V411 HydrophobicContact CE2-CG1 3.72Å; Y345-I412 PolarHBondContact N-O 2.88Å; Y345-H413 AromaticContact CD2-NE2 3.76Å; Y345-F414 WeakPolarHBondContact O-CA 3.45Å; Y345-F414 WeakPolarHBondContact O-CB 3.27Å; Y345-F414 PolarHBondContact O-N 3.29Å; Y345-S415 PolarHBondContact O-N 3.43Å; Y345-E426 HydrophobicContact CD2-CB 3.96Å; Y345-E426 HydrophobicContact CD2-CG 4.33Å; Y345-E426 HydrophobicContact CE1-CG 4.49Å; Y345-E426 HydrophobicContact CE2-CB 3.61Å; Y345-E426 HydrophobicContact CE2-CG 4Å; Y345-R429 WeakPolarHBondContact OH-CD 3.5Å; Y345-R429 PolarHBondContact OH-NE 3.43Å
346	C	95.8	Very high	95.5	Very high	7 Å²	7	41.3 Å²	41.3	5%	0.047	21%	0.207	C	C	.	.			trans	-120.4	156.6	177.2	-59.6	0	0	0	0	111	D351 T352 V394 A395	C346-D351 HydrophobicContact CB-CB 3.74Å; C346-T352 HydrophobicContact CB-CG2 3.8Å; C346-V394 VanDerWaalsContact SG-CG1 3.54Å; C346-A395 PolarHBondContact N-O 3.24Å
347	F	92.8	Very high	95.6	Very high	63 Å²	63	43.1 Å²	43.1	28%	0.276	22%	0.222	S	C	.	.	S	Bend	trans	-66	-44.5	-178.4	177.1	-88	0	0	0	113.3	R450 L451 M454	F347-R450 HydrophobicContact CD2-CB 4.22Å; F347-R450 HydrophobicContact CE1-CB 4.34Å; F347-R450 HydrophobicContact CE2-CB 3.68Å; F347-R450 HydrophobicContact CZ-CB 3.75Å; F347-L451 HydrophobicContact CD2-CD2 3.94Å; F347-L451 HydrophobicContact CD2-CG 4.39Å; F347-L451 HydrophobicContact CE2-CD2 3.88Å; F347-L451 HydrophobicContact CE2-CG 4.25Å; F347-M454 HydrophobicContact CE2-SD 4.38Å
348	S	92.7	Very high	95.7	Very high	31 Å²	31	45.4 Å²	45.4	22%	0.217	23%	0.233	C	C	.	.	S	Bend	trans	-125.7	163	-175.4	68.5	0	0	0	0	113.5	K350 D351 T352	S348-K350 VanDerWaalsContact C-N 3.28Å; S348-K350 PolarHBondContact O-N 2.55Å; S348-D351 PolarHBondContact N-OD2 2.67Å; S348-D351 VanDerWaalsContact N-OD2 3.11Å; S348-D351 WeakPolarHBondContact O-CB 3.24Å; S348-D351 PolarHBondContact O-N 3.38Å; S348-D351 VanDerWaalsContact O-N 3.17Å; S348-D351 PolarHBondContact OG-N 3.39Å; S348-D351 VanDerWaalsContact OG-N 3.1Å; S348-D351 PolarHBondContact OG-OD2 3.26Å; S348-T352 PolarHBondContact O-N 2.94Å
349	Q	94	Very high	95.9	Very high	62 Å²	62	40.6 Å²	40.6	29%	0.29	21%	0.208	S	C	.	.	H	α-helix	trans	-58.9	-42.7	173.9	-50.7	-169.6	16	0	0	111.1	D351 T352 E353 H370 N372 T396	Q349-D351 VanDerWaalsContact C-N 3.34Å; Q349-D351 PolarHBondContact O-N 3.03Å; Q349-T352 PolarHBondContact O-N 2.97Å; Q349-T352 PolarHBondContact O-OG1 2.91Å; Q349-E353 PolarHBondContact O-N 3.21Å; Q349-E353 VanDerWaalsContact O-N 3.1Å; Q349-H370 HydrophobicContact CB-CB 4.1Å; Q349-H370 HydrophobicContact CG-CB 3.81Å; Q349-H370 PolarHBondContact OE1-ND1 3.08Å; Q349-N372 PolarHBondContact NE2-OD1 3.43Å; Q349-N372 VanDerWaalsContact OE1-CB 3.22Å; Q349-N372 PolarHBondContact OE1-ND2 3.12Å; Q349-T396 HydrophobicContact CG-CG2 4.3Å
350	K	94.6	Very high	96.2	Very high	143 Å²	143	40.5 Å²	40.5	62%	0.622	20%	0.201	S	C	*	.	H	α-helix	trans	-58.4	-45.6	174.1	-179	171.9	-179.4	170.3	0	112	S348 T352 E353 D354	S348-K350 VanDerWaalsContact C-N 3.28Å; S348-K350 PolarHBondContact O-N 2.55Å; K350-T352 PolarHBondContact O-N 2.81Å; K350-E353 PolarHBondContact O-N 2.66Å; K350-D354 WeakPolarHBondContact CE-OD2 3.06Å; K350-D354 WeakPolarHBondContact CG-OD2 3.22Å; K350-D354 WeakPolarHBondContact O-CB 3.36Å; K350-D354 PolarHBondContact O-N 2.91Å
351	D	95.4	Very high	96.2	Very high	27 Å²	27	44.2 Å²	44.2	14%	0.144	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-37.4	176.3	-62.1	-40.5	0	0	0	111.2	C346 S348 Q349 V355 R450	C346-D351 HydrophobicContact CB-CB 3.74Å; S348-D351 PolarHBondContact N-OD2 2.67Å; S348-D351 VanDerWaalsContact N-OD2 3.11Å; S348-D351 WeakPolarHBondContact O-CB 3.24Å; S348-D351 PolarHBondContact O-N 3.38Å; S348-D351 VanDerWaalsContact O-N 3.17Å; S348-D351 PolarHBondContact OG-N 3.39Å; S348-D351 VanDerWaalsContact OG-N 3.1Å; S348-D351 PolarHBondContact OG-OD2 3.26Å; Q349-D351 VanDerWaalsContact C-N 3.34Å; Q349-D351 PolarHBondContact O-N 3.03Å; D351-V355 WeakPolarHBondContact O-CB 3.42Å; D351-V355 WeakPolarHBondContact O-CG2 3.48Å; D351-V355 PolarHBondContact O-N 2.84Å; D351-R450 IonicContact OD1-NH2 2.88Å; D351-R450 IonicContact OD2-CZ 3.83Å; D351-R450 IonicContact OD2-NH1 2.8Å; D351-R450 IonicContact OD2-NH2 3.05Å; D351-R450 PolarHBondContact OD2-NH2 3.17Å
352	T	96.5	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-40.1	177.5	62.3	0	0	0	0	113.1	C346 S348 Q349 K350 S356 H370 V394 T396	C346-T352 HydrophobicContact CB-CG2 3.8Å; S348-T352 PolarHBondContact O-N 2.94Å; Q349-T352 PolarHBondContact O-N 2.97Å; Q349-T352 PolarHBondContact O-OG1 2.91Å; K350-T352 PolarHBondContact O-N 2.81Å; T352-S356 WeakPolarHBondContact O-CB 3.43Å; T352-S356 PolarHBondContact O-N 3Å; T352-H370 PolarHBondContact OG1-CD2 2.88Å; T352-H370 VanDerWaalsContact OG1-CD2 3.28Å; T352-V394 HydrophobicContact CG2-CG1 4.42Å; T352-T396 HydrophobicContact CG2-CG2 3.73Å
353	E	97.2	Very high	96.3	Very high	94 Å²	94	50.3 Å²	50.3	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-69.2	-49.3	177.6	-67.3	178.1	-160.2	0	0	110.9	Q349 K350 S356 S357 H370	Q349-E353 PolarHBondContact O-N 3.21Å; Q349-E353 VanDerWaalsContact O-N 3.1Å; K350-E353 PolarHBondContact O-N 2.66Å; E353-S356 PolarHBondContact O-N 2.9Å; E353-S357 WeakPolarHBondContact O-CB 3.44Å; E353-S357 PolarHBondContact O-N 2.8Å; E353-H370 IonicContact OE1-CE1 3.58Å; E353-H370 PolarHBondContact OE1-CE1 3.1Å; E353-H370 IonicContact OE1-NE2 2.63Å; E353-H370 PolarHBondContact OE1-NE2 3.33Å
354	D	97.4	Very high	96.3	Very high	85 Å²	85	50.7 Å²	50.7	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-50.3	-178.6	-72.2	-18.1	0	0	0	111.1	K350 S357 E358	K350-D354 WeakPolarHBondContact CE-OD2 3.06Å; K350-D354 WeakPolarHBondContact CG-OD2 3.22Å; K350-D354 WeakPolarHBondContact O-CB 3.36Å; K350-D354 PolarHBondContact O-N 2.91Å; D354-S357 PolarHBondContact O-N 3Å; D354-E358 PolarHBondContact O-N 3.46Å
355	V	98	Very high	96.3	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-42.8	179.2	173.9	0	0	0	0	110.8	V326 L329 D351 S357 E358 L359 V394 F414	V326-V355 HydrophobicContact CG2-CG1 4.48Å; V326-V355 HydrophobicContact CG2-CG2 3.99Å; L329-V355 HydrophobicContact CD2-CG1 3.96Å; D351-V355 WeakPolarHBondContact O-CB 3.42Å; D351-V355 WeakPolarHBondContact O-CG2 3.48Å; D351-V355 PolarHBondContact O-N 2.84Å; V355-S357 VanDerWaalsContact C-N 3.33Å; V355-S357 PolarHBondContact O-N 2.81Å; V355-E358 PolarHBondContact O-N 3.07Å; V355-L359 HydrophobicContact CG1-CD1 3.89Å; V355-L359 HydrophobicContact CG1-CG 4.21Å; V355-L359 WeakPolarHBondContact O-CB 3.5Å; V355-L359 VanDerWaalsContact O-CG 3.29Å; V355-L359 WeakPolarHBondContact O-CG 3.49Å; V355-L359 PolarHBondContact O-N 3.47Å; V355-V394 HydrophobicContact CB-CG1 4.03Å; V355-V394 HydrophobicContact CG1-CG1 3.96Å; V355-F414 HydrophobicContact CG2-CD1 4.16Å; V355-F414 HydrophobicContact CG2-CE1 3.87Å; V355-F414 HydrophobicContact CG2-CZ 4.18Å
356	S	97.7	Very high	96.3	Very high	5 Å²	5	57.1 Å²	57.1	4%	0.035	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-40.4	177	-174.6	0	0	0	0	111.8	T352 E353 K360 V366 P368	T352-S356 WeakPolarHBondContact O-CB 3.43Å; T352-S356 PolarHBondContact O-N 3Å; E353-S356 PolarHBondContact O-N 2.9Å; S356-K360 VanDerWaalsContact O-CB 3.29Å; S356-K360 WeakPolarHBondContact O-CB 3.29Å; S356-K360 PolarHBondContact O-N 3.36Å; S356-V366 WeakPolarHBondContact O-CG2 3.23Å; S356-P368 WeakPolarHBondContact OG-CD 3.45Å
357	S	97.9	Very high	96.3	Very high	66 Å²	66	57.1 Å²	57.1	46%	0.462	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-44.4	178.6	-172.5	0	0	0	0	111.3	E353 D354 V355 K360 N361	E353-S357 WeakPolarHBondContact O-CB 3.44Å; E353-S357 PolarHBondContact O-N 2.8Å; D354-S357 PolarHBondContact O-N 3Å; V355-S357 VanDerWaalsContact C-N 3.33Å; V355-S357 PolarHBondContact O-N 2.81Å; S357-K360 PolarHBondContact O-N 3.05Å; S357-N361 VanDerWaalsContact O-CG 3.24Å; S357-N361 PolarHBondContact O-N 3.4Å; S357-N361 PolarHBondContact O-ND2 3.09Å; S357-N361 PolarHBondContact O-OD1 3.31Å
358	E	97.6	Very high	96.5	Very high	49 Å²	49	55 Å²	55	23%	0.229	29%	0.29	C	S	.	.	H	α-helix	trans	-70.1	-40.8	-178.7	-175.4	171.6	-167	0	0	112.1	V326 D354 V355 K360 N361 F362	V326-E358 HydrophobicContact CB-CG 4.29Å; V326-E358 WeakPolarHBondContact CB-OE2 3.4Å; V326-E358 HydrophobicContact CG1-CB 3.87Å; V326-E358 HydrophobicContact CG1-CG 3.6Å; V326-E358 WeakPolarHBondContact CG2-OE2 3.35Å; D354-E358 PolarHBondContact O-N 3.46Å; V355-E358 PolarHBondContact O-N 3.07Å; E358-K360 VanDerWaalsContact C-N 3.3Å; E358-K360 PolarHBondContact O-N 3.15Å; E358-N361 WeakPolarHBondContact O-CB 3.38Å; E358-N361 PolarHBondContact O-N 3.35Å; E358-N361 VanDerWaalsContact O-N 3.16Å; E358-F362 HydrophobicContact CG-CD2 4.33Å; E358-F362 HydrophobicContact CG-CE2 3.78Å; E358-F362 VanDerWaalsContact O-CD2 3.23Å; E358-F362 WeakPolarHBondContact O-CD2 3.48Å; E358-F362 PolarHBondContact O-N 3.41Å; E358-F362 VanDerWaalsContact O-N 3.13Å
359	L	97.9	Very high	96.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-36.1	173.3	-69.1	178.7	0	0	0	112.7	V326 L329 V355 N361 F362 G363 L364 V366 V394	V326-L359 HydrophobicContact CG1-CD2 3.89Å; V326-L359 HydrophobicContact CG1-CG 4.14Å; L329-L359 HydrophobicContact CD2-CD1 3.86Å; L329-L359 HydrophobicContact CD2-CD2 4.29Å; L329-L359 HydrophobicContact CG-CD1 4.41Å; L329-L359 HydrophobicContact CG-CD2 4.24Å; V355-L359 HydrophobicContact CG1-CD1 3.89Å; V355-L359 HydrophobicContact CG1-CG 4.21Å; V355-L359 WeakPolarHBondContact O-CB 3.5Å; V355-L359 VanDerWaalsContact O-CG 3.29Å; V355-L359 WeakPolarHBondContact O-CG 3.49Å; V355-L359 PolarHBondContact O-N 3.47Å; L359-N361 VanDerWaalsContact C-N 3.34Å; L359-F362 PolarHBondContact O-N 2.85Å; L359-G363 PolarHBondContact O-N 3.02Å; L359-L364 HydrophobicContact CB-CD1 4.39Å; L359-L364 HydrophobicContact CD2-CD1 4.15Å; L359-L364 PolarHBondContact O-N 3.4Å; L359-L364 VanDerWaalsContact O-N 3.16Å; L359-V366 HydrophobicContact CB-CG1 4.12Å; L359-V366 HydrophobicContact CB-CG2 4.03Å; L359-V394 HydrophobicContact CD1-CG2 4.12Å
360	K	97	Very high	96.2	Very high	140 Å²	140	50.9 Å²	50.9	61%	0.609	27%	0.267	S	S	*	.	H	α-helix	trans	-65	-38.9	173.9	-170.2	177.6	178.9	-177.6	0	111.5	S356 S357 E358 F362 G363 V366	S356-K360 VanDerWaalsContact O-CB 3.29Å; S356-K360 WeakPolarHBondContact O-CB 3.29Å; S356-K360 PolarHBondContact O-N 3.36Å; S357-K360 PolarHBondContact O-N 3.05Å; E358-K360 VanDerWaalsContact C-N 3.3Å; E358-K360 PolarHBondContact O-N 3.15Å; K360-F362 VanDerWaalsContact C-N 3.26Å; K360-F362 PolarHBondContact O-N 3.06Å; K360-G363 WeakPolarHBondContact O-CA 3.4Å; K360-G363 PolarHBondContact O-N 3.48Å; K360-V366 HydrophobicContact CB-CG2 3.79Å
361	N	97.3	Very high	95.6	Very high	133 Å²	133	46.6 Å²	46.6	71%	0.711	26%	0.259	S	S	*	.	H	α-helix	trans	-64.6	-29.6	175.3	-68.9	-16.9	0	0	0	112.6	S357 E358 L359 G363	S357-N361 VanDerWaalsContact O-CG 3.24Å; S357-N361 PolarHBondContact O-N 3.4Å; S357-N361 PolarHBondContact O-ND2 3.09Å; S357-N361 PolarHBondContact O-OD1 3.31Å; E358-N361 WeakPolarHBondContact O-CB 3.38Å; E358-N361 PolarHBondContact O-N 3.35Å; E358-N361 VanDerWaalsContact O-N 3.16Å; L359-N361 VanDerWaalsContact C-N 3.34Å; N361-G363 PolarHBondContact O-N 3.48Å
362	F	96.8	Very high	95.1	Very high	77 Å²	77	51.3 Å²	51.3	34%	0.338	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-3.3	170.1	-68.7	-58.7	0	0	0	114.1	V326 K327 Y330 E358 L359 K360	V326-F362 HydrophobicContact CG1-CE2 4.45Å; K327-F362 HydrophobicContact CB-CZ 4.45Å; Y330-F362 HydrophobicContact CD1-CB 4.21Å; Y330-F362 HydrophobicContact CD1-CD1 4.24Å; Y330-F362 HydrophobicContact CD1-CD2 4.4Å; Y330-F362 HydrophobicContact CD1-CG 4.06Å; Y330-F362 HydrophobicContact CD2-CB 3.41Å; Y330-F362 VanDerWaalsContact CD2-CB 3.41Å; Y330-F362 HydrophobicContact CD2-CD2 4.41Å; Y330-F362 HydrophobicContact CD2-CG 4.05Å; Y330-F362 HydrophobicContact CE1-CB 4.35Å; Y330-F362 HydrophobicContact CE1-CD1 4.39Å; Y330-F362 HydrophobicContact CE1-CG 4.45Å; Y330-F362 HydrophobicContact CE2-CB 3.6Å; Y330-F362 HydrophobicContact CE2-CG 4.46Å; Y330-F362 HydrophobicContact CG-CB 3.75Å; Y330-F362 HydrophobicContact CG-CD1 4.48Å; Y330-F362 AromaticContact CG-CD2 3.96Å; Y330-F362 HydrophobicContact CG-CD2 3.96Å; Y330-F362 AromaticContact CG-CG 3.84Å; Y330-F362 HydrophobicContact CG-CG 3.84Å; E358-F362 HydrophobicContact CG-CD2 4.33Å; E358-F362 HydrophobicContact CG-CE2 3.78Å; E358-F362 VanDerWaalsContact O-CD2 3.23Å; E358-F362 WeakPolarHBondContact O-CD2 3.48Å; E358-F362 PolarHBondContact O-N 3.41Å; E358-F362 VanDerWaalsContact O-N 3.13Å; L359-F362 PolarHBondContact O-N 2.85Å; K360-F362 VanDerWaalsContact C-N 3.26Å; K360-F362 PolarHBondContact O-N 3.06Å
363	G	95.6	Very high	94.6	Very high	63 Å²	63	52.9 Å²	52.9	65%	0.649	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	6.5	175.2	0	0	0	0	0	115.5	L359 K360 N361	L359-G363 PolarHBondContact O-N 3.02Å; K360-G363 WeakPolarHBondContact O-CA 3.4Å; K360-G363 PolarHBondContact O-N 3.48Å; N361-G363 PolarHBondContact O-N 3.48Å
364	L	96.4	Very high	94	Very high	12 Å²	12	53 Å²	53	6%	0.063	30%	0.295	C	S	.	.			trans	-77	144.7	175.6	-67.3	177.5	0	0	0	111.8	Y330 I333 L359 V366	Y330-L364 HydrophobicContact CD2-CD1 3.81Å; Y330-L364 HydrophobicContact CD2-CD2 4.5Å; Y330-L364 HydrophobicContact CD2-CG 3.89Å; Y330-L364 HydrophobicContact CE2-CD2 4.5Å; Y330-L364 HydrophobicContact CE2-CG 4.19Å; I333-L364 HydrophobicContact CB-CD1 4.12Å; I333-L364 HydrophobicContact CD1-CD1 4.27Å; I333-L364 HydrophobicContact CG2-CD1 3.86Å; I333-L364 HydrophobicContact CG2-CD2 4.06Å; L359-L364 HydrophobicContact CB-CD1 4.39Å; L359-L364 HydrophobicContact CD2-CD1 4.15Å; L359-L364 PolarHBondContact O-N 3.4Å; L359-L364 VanDerWaalsContact O-N 3.16Å; L364-V366 HydrophobicContact CB-CG1 3.55Å; L364-V366 PolarHBondContact O-N 2.91Å; L364-V366 VanDerWaalsContact O-N 3.09Å
365	K	97.2	Very high	93	Very high	125 Å²	125	53.4 Å²	53.4	54%	0.543	29%	0.293	S	S	.	.			trans	-79.5	88.8	173.9	-63.2	175.3	-175.8	174.7	0	109.6	Q391 V392	K365-Q391 HydrophobicContact CB-CB 4.07Å; K365-Q391 WeakPolarHBondContact O-CA 3.23Å; K365-Q391 WeakPolarHBondContact O-CB 3.45Å; K365-Q391 PolarHBondContact O-N 3.24Å; K365-V392 PolarHBondContact O-N 2.95Å; K365-V392 VanDerWaalsContact O-N 3.1Å
366	V	97.1	Very high	92.2	Very high	15 Å²	15	58.4 Å²	58.4	9%	0.091	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.5	-172.3	-52	0	0	0	0	113	S356 L359 K360 L364 V392	S356-V366 WeakPolarHBondContact O-CG2 3.23Å; L359-V366 HydrophobicContact CB-CG1 4.12Å; L359-V366 HydrophobicContact CB-CG2 4.03Å; K360-V366 HydrophobicContact CB-CG2 3.79Å; L364-V366 HydrophobicContact CB-CG1 3.55Å; L364-V366 PolarHBondContact O-N 2.91Å; L364-V366 VanDerWaalsContact O-N 3.09Å; V366-V392 VanDerWaalsContact CA-O 3.25Å; V366-V392 WeakPolarHBondContact CA-O 3.28Å; V366-V392 HydrophobicContact CB-CB 4.46Å; V366-V392 HydrophobicContact CG1-CB 3.79Å; V366-V392 HydrophobicContact CG1-CG2 4.21Å
367	A	95.9	Very high	91.8	Very high	6 Å²	6	62.8 Å²	62.8	5%	0.05	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.9	171.6	0	0	0	0	0	111.9	V381 I390 V392 I393 V394	A367-V381 HydrophobicContact CB-CG1 3.9Å; A367-V381 HydrophobicContact CB-CG2 3.97Å; A367-I390 HydrophobicContact CB-CD1 3.96Å; A367-I390 HydrophobicContact CB-CG2 4.21Å; A367-V392 PolarHBondContact N-O 3.33Å; A367-V392 VanDerWaalsContact N-O 3.16Å; A367-I393 HydrophobicContact CB-CD1 4.14Å; A367-V394 PolarHBondContact O-N 2.99Å
368	P	95.8	Very high	91.1	Very high	20 Å²	20	61.6 Å²	61.6	13%	0.13	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	152.2	173.9	33.4	-34.3	0	0	0	111.2	S356 L373 V394	S356-P368 WeakPolarHBondContact OG-CD 3.45Å; P368-L373 WeakPolarHBondContact O-CD1 3.22Å; P368-V394 CarbonylContact C-O 3.53Å; P368-V394 VanDerWaalsContact CA-O 3.27Å; P368-V394 WeakPolarHBondContact CA-O 3.47Å
369	Y	91.2	Very high	90.2	Very high	2 Å²	2	61 Å²	61	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	118.7	172.8	-162.6	-73.5	0	0	0	112.9	R378 V381 V394 A395 T396 F399	Y369-R378 HydrophobicContact CD2-CG 4.27Å; Y369-R378 HydrophobicContact CE2-CB 3.8Å; Y369-R378 HydrophobicContact CE2-CG 3.75Å; Y369-V381 HydrophobicContact CD2-CG1 4.33Å; Y369-V394 PolarHBondContact N-O 3.2Å; Y369-A395 VanDerWaalsContact O-CA 3.27Å; Y369-A395 WeakPolarHBondContact O-CA 3.48Å; Y369-T396 PolarHBondContact O-N 2.76Å; Y369-T396 VanDerWaalsContact O-N 3.09Å; Y369-F399 HydrophobicContact CD1-CB 3.57Å; Y369-F399 AromaticContact CD1-CD2 3.44Å; Y369-F399 HydrophobicContact CD1-CD2 3.44Å; Y369-F399 VanDerWaalsContact CD1-CD2 3.44Å; Y369-F399 AromaticContact CD1-CG 3.97Å; Y369-F399 HydrophobicContact CD1-CG 3.97Å; Y369-F399 AromaticContact CD2-CD2 3.44Å; Y369-F399 HydrophobicContact CD2-CD2 3.44Å; Y369-F399 VanDerWaalsContact CD2-CD2 3.44Å; Y369-F399 AromaticContact CD2-CE2 3.76Å; Y369-F399 HydrophobicContact CD2-CE2 3.76Å; Y369-F399 HydrophobicContact CE1-CB 4.12Å; Y369-F399 AromaticContact CE1-CD2 3.85Å; Y369-F399 HydrophobicContact CE1-CD2 3.85Å; Y369-F399 AromaticContact CE2-CD2 3.83Å; Y369-F399 HydrophobicContact CE2-CD2 3.83Å; Y369-F399 HydrophobicContact CE2-CE2 4.15Å; Y369-F399 HydrophobicContact CG-CB 4.08Å; Y369-F399 AromaticContact CG-CD2 3.21Å; Y369-F399 HydrophobicContact CG-CD2 3.21Å; Y369-F399 AromaticContact CG-CE2 3.94Å; Y369-F399 HydrophobicContact CG-CE2 3.94Å; Y369-F399 HydrophobicContact CG-CG 4.03Å
370	H	90.4	Very high	89.8	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.019	35%	0.352	C	S	.	.			trans	-152.1	169.5	172.9	53.3	97.8	0	0	0	111	Q349 T352 E353 N372 L373 T396	Q349-H370 HydrophobicContact CB-CB 4.1Å; Q349-H370 HydrophobicContact CG-CB 3.81Å; Q349-H370 PolarHBondContact OE1-ND1 3.08Å; T352-H370 PolarHBondContact OG1-CD2 2.88Å; T352-H370 VanDerWaalsContact OG1-CD2 3.28Å; E353-H370 IonicContact OE1-CE1 3.58Å; E353-H370 PolarHBondContact OE1-CE1 3.1Å; E353-H370 IonicContact OE1-NE2 2.63Å; E353-H370 PolarHBondContact OE1-NE2 3.33Å; H370-N372 VanDerWaalsContact C-N 3.27Å; H370-N372 PolarHBondContact O-N 3.1Å; H370-L373 WeakPolarHBondContact NE2-CD2 3.33Å; H370-L373 WeakPolarHBondContact NE2-CG 3.46Å; H370-L373 PolarHBondContact O-N 3.14Å; H370-T396 HydrophobicContact CB-CG2 4.18Å; H370-T396 WeakPolarHBondContact CB-OG1 3.5Å
371	A	81.3	Confident	89.3	Confident	53 Å²	53	59.2 Å²	59.2	44%	0.438	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25	-171.9	0	0	0	0	0	114.7	L373 A398	A371-L373 VanDerWaalsContact C-N 3.31Å; A371-A398 HydrophobicContact CB-CB 4.05Å
372	N	85.6	Confident	88.6	Confident	126 Å²	126	53.3 Å²	53.3	67%	0.674	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.4	-178.7	-66	10.8	0	0	0	113.6	Q349 H370	Q349-N372 PolarHBondContact NE2-OD1 3.43Å; Q349-N372 VanDerWaalsContact OE1-CB 3.22Å; Q349-N372 PolarHBondContact OE1-ND2 3.12Å; H370-N372 VanDerWaalsContact C-N 3.27Å; H370-N372 PolarHBondContact O-N 3.1Å
373	L	85.7	Confident	88	Confident	32 Å²	32	52.2 Å²	52.2	17%	0.168	29%	0.294	C	S	.	.	S	Bend	trans	-74.7	141.8	174.7	-65.2	172.3	0	0	0	111.1	P368 H370 A371 Y377 R378	P368-L373 WeakPolarHBondContact O-CD1 3.22Å; H370-L373 WeakPolarHBondContact NE2-CD2 3.33Å; H370-L373 WeakPolarHBondContact NE2-CG 3.46Å; H370-L373 PolarHBondContact O-N 3.14Å; A371-L373 VanDerWaalsContact C-N 3.31Å; L373-Y377 HydrophobicContact CB-CD1 4.18Å; L373-Y377 HydrophobicContact CD1-CD1 3.92Å; L373-Y377 HydrophobicContact CD1-CE1 3.89Å; L373-Y377 HydrophobicContact CD2-CD1 4.15Å; L373-Y377 HydrophobicContact CD2-CE1 4.26Å; L373-Y377 HydrophobicContact CG-CD1 4.32Å; L373-R378 HydrophobicContact CB-CG 3.8Å; L373-R378 PolarHBondContact O-NE 2.83Å
374	D	84.6	Confident	87.8	Confident	96 Å²	96	49.6 Å²	49.6	51%	0.513	27%	0.267	S	S	.	.			trans	-54.9	145.8	176.8	-177.7	-103.8	0	0	0	112.1	N376 Y377 R378	D374-N376 VanDerWaalsContact C-N 3.3Å; D374-N376 PolarHBondContact O-N 2.77Å; D374-N376 VanDerWaalsContact OD1-CB 3.23Å; D374-N376 WeakPolarHBondContact OD1-CB 3.41Å; D374-N376 PolarHBondContact OD1-N 2.91Å; D374-N376 PolarHBondContact OD1-ND2 3.42Å; D374-N376 VanDerWaalsContact OD1-ND2 3.1Å; D374-Y377 PolarHBondContact O-N 3.44Å; D374-R378 PolarHBondContact O-N 3.1Å
375	F	76.2	Confident	87.5	Confident	95 Å²	95	49.2 Å²	49.2	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-57	-41.9	-179.6	175	-86.8	0	0	0	112.5	V157 I161 R378 S379	V157-F375 HydrophobicContact CG1-CD2 3.99Å; V157-F375 HydrophobicContact CG1-CE2 3.53Å; I161-F375 HydrophobicContact CD1-CE2 3.68Å; I161-F375 HydrophobicContact CD1-CZ 3.82Å; I161-F375 HydrophobicContact CG1-CE2 4.29Å; I161-F375 HydrophobicContact CG1-CZ 4.14Å; F375-R378 PolarHBondContact O-N 3.45Å; F375-S379 WeakPolarHBondContact O-CB 3.37Å; F375-S379 PolarHBondContact O-N 3.26Å; F375-S379 PolarHBondContact O-OG 3.44Å
376	N	82.2	Confident	86.9	Confident	107 Å²	107	45.2 Å²	45.2	57%	0.572	25%	0.253	S	S	*	.	H	α-helix	trans	-67.4	-42.1	-179.3	-59.6	-58	0	0	0	110.3	D374 S379 T380	D374-N376 VanDerWaalsContact C-N 3.3Å; D374-N376 PolarHBondContact O-N 2.77Å; D374-N376 VanDerWaalsContact OD1-CB 3.23Å; D374-N376 WeakPolarHBondContact OD1-CB 3.41Å; D374-N376 PolarHBondContact OD1-N 2.91Å; D374-N376 PolarHBondContact OD1-ND2 3.42Å; D374-N376 VanDerWaalsContact OD1-ND2 3.1Å; N376-S379 WeakPolarHBondContact O-CB 3.15Å; N376-S379 PolarHBondContact O-N 2.91Å; N376-T380 PolarHBondContact O-N 3.41Å; N376-T380 PolarHBondContact O-OG1 3.07Å; N376-T380 VanDerWaalsContact O-OG1 3.07Å
377	Y	87.5	Confident	86.4	Confident	98 Å²	98	49.9 Å²	49.9	38%	0.384	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-47.6	176.1	-174.9	-94.8	0	0	0	111.6	L373 D374 S379 T380 V381	L373-Y377 HydrophobicContact CB-CD1 4.18Å; L373-Y377 HydrophobicContact CD1-CD1 3.92Å; L373-Y377 HydrophobicContact CD1-CE1 3.89Å; L373-Y377 HydrophobicContact CD2-CD1 4.15Å; L373-Y377 HydrophobicContact CD2-CE1 4.26Å; L373-Y377 HydrophobicContact CG-CD1 4.32Å; D374-Y377 PolarHBondContact O-N 3.44Å; Y377-S379 VanDerWaalsContact C-N 3.28Å; Y377-S379 PolarHBondContact O-N 2.7Å; Y377-T380 PolarHBondContact O-N 3.06Å; Y377-V381 HydrophobicContact CD1-CG2 3.91Å; Y377-V381 HydrophobicContact CE1-CG2 3.46Å; Y377-V381 VanDerWaalsContact CE1-CG2 3.46Å; Y377-V381 HydrophobicContact CE2-CG2 4.37Å; Y377-V381 WeakPolarHBondContact O-CG2 3.4Å; Y377-V381 PolarHBondContact O-N 3.4Å
378	R	83.6	Confident	86.1	Confident	40 Å²	40	51.6 Å²	51.6	15%	0.151	29%	0.292	C	S	.	.	H	α-helix	trans	-57.9	-42	176	-72.1	-170.3	-74.8	143.6	-3.2	111.4	Y369 L373 D374 F375 V381 H382	Y369-R378 HydrophobicContact CD2-CG 4.27Å; Y369-R378 HydrophobicContact CE2-CB 3.8Å; Y369-R378 HydrophobicContact CE2-CG 3.75Å; L373-R378 HydrophobicContact CB-CG 3.8Å; L373-R378 PolarHBondContact O-NE 2.83Å; D374-R378 PolarHBondContact O-N 3.1Å; F375-R378 PolarHBondContact O-N 3.45Å; R378-V381 PolarHBondContact O-N 3.06Å; R378-H382 WeakPolarHBondContact O-CB 3.34Å; R378-H382 PolarHBondContact O-N 3.24Å
379	S	80	Confident	85.9	Confident	37 Å²	37	57.3 Å²	57.3	26%	0.259	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-42.5	176.5	-59.4	0	0	0	0	112.5	F375 N376 Y377 H382 S383	F375-S379 WeakPolarHBondContact O-CB 3.37Å; F375-S379 PolarHBondContact O-N 3.26Å; F375-S379 PolarHBondContact O-OG 3.44Å; N376-S379 WeakPolarHBondContact O-CB 3.15Å; N376-S379 PolarHBondContact O-N 2.91Å; Y377-S379 VanDerWaalsContact C-N 3.28Å; Y377-S379 PolarHBondContact O-N 2.7Å; S379-H382 PolarHBondContact O-N 2.63Å; S379-S383 WeakPolarHBondContact O-CB 3.35Å; S379-S383 PolarHBondContact O-N 3.26Å
380	T	87.7	Confident	86.1	Confident	98 Å²	98	58.6 Å²	58.6	60%	0.601	32%	0.321	S	S	*	.	H	α-helix	trans	-63.9	-46	175.6	-58.4	0	0	0	0	111.9	N376 Y377 H382 S383 G384	N376-T380 PolarHBondContact O-N 3.41Å; N376-T380 PolarHBondContact O-OG1 3.07Å; N376-T380 VanDerWaalsContact O-OG1 3.07Å; Y377-T380 PolarHBondContact O-N 3.06Å; T380-H382 VanDerWaalsContact C-N 3.31Å; T380-H382 PolarHBondContact O-N 3.47Å; T380-S383 PolarHBondContact O-N 2.88Å; T380-G384 PolarHBondContact O-N 3.34Å
381	V	88.3	Confident	86.4	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-44.3	176.2	169.4	0	0	0	0	110.5	A367 Y369 Y377 R378 S383 G384 W385 I390 I393	A367-V381 HydrophobicContact CB-CG1 3.9Å; A367-V381 HydrophobicContact CB-CG2 3.97Å; Y369-V381 HydrophobicContact CD2-CG1 4.33Å; Y377-V381 HydrophobicContact CD1-CG2 3.91Å; Y377-V381 HydrophobicContact CE1-CG2 3.46Å; Y377-V381 VanDerWaalsContact CE1-CG2 3.46Å; Y377-V381 HydrophobicContact CE2-CG2 4.37Å; Y377-V381 WeakPolarHBondContact O-CG2 3.4Å; Y377-V381 PolarHBondContact O-N 3.4Å; R378-V381 PolarHBondContact O-N 3.06Å; V381-S383 PolarHBondContact O-N 2.91Å; V381-G384 PolarHBondContact O-N 3.44Å; V381-W385 WeakPolarHBondContact O-CB 3.44Å; V381-W385 PolarHBondContact O-N 3.18Å; V381-I390 HydrophobicContact CB-CD1 4.42Å; V381-I390 HydrophobicContact CG1-CD1 4.19Å; V381-I393 HydrophobicContact CG1-CD1 3.44Å; V381-I393 VanDerWaalsContact CG1-CD1 3.44Å
382	H	82	Confident	87.1	Confident	9 Å²	9	56.9 Å²	56.9	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-43.9	179.8	-159.3	-44.5	0	0	0	111.9	R378 S379 T380 S386 I403	R378-H382 WeakPolarHBondContact O-CB 3.34Å; R378-H382 PolarHBondContact O-N 3.24Å; S379-H382 PolarHBondContact O-N 2.63Å; T380-H382 VanDerWaalsContact C-N 3.31Å; T380-H382 PolarHBondContact O-N 3.47Å; H382-S386 WeakPolarHBondContact O-CB 3.46Å; H382-S386 PolarHBondContact O-N 3.42Å; H382-S386 PolarHBondContact O-OG 3.15Å; H382-S386 VanDerWaalsContact O-OG 3.08Å; H382-I403 WeakPolarHBondContact CD2-CD1 3.19Å; H382-I403 WeakPolarHBondContact CE1-CG2 3.47Å; H382-I403 WeakPolarHBondContact NE2-CD1 3.24Å; H382-I403 WeakPolarHBondContact NE2-CG1 3.46Å
383	S	84.3	Confident	87.6	Confident	53 Å²	53	50.9 Å²	50.9	37%	0.371	27%	0.272	S	S	.	.	H	α-helix	trans	-65	-45.3	175.2	-174.3	0	0	0	0	111.7	S379 T380 V381 W385 S386 Q387	S379-S383 WeakPolarHBondContact O-CB 3.35Å; S379-S383 PolarHBondContact O-N 3.26Å; T380-S383 PolarHBondContact O-N 2.88Å; V381-S383 PolarHBondContact O-N 2.91Å; S383-W385 VanDerWaalsContact C-N 3.34Å; S383-W385 PolarHBondContact O-N 3.45Å; S383-S386 PolarHBondContact O-N 3.1Å; S383-Q387 WeakPolarHBondContact O-CB 3.47Å; S383-Q387 VanDerWaalsContact O-CG 3.22Å; S383-Q387 WeakPolarHBondContact O-CG 3.46Å; S383-Q387 PolarHBondContact O-N 2.75Å; S383-Q387 PolarHBondContact OG-NE2 3.12Å; S383-Q387 VanDerWaalsContact OG-NE2 3.15Å
384	G	90.6	Very high	88.1	Confident	9 Å²	9	49.4 Å²	49.4	9%	0.093	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-39.3	177.5	0	0	0	0	0	113.1	T380 V381 G388 K389 I390	T380-G384 PolarHBondContact O-N 3.34Å; V381-G384 PolarHBondContact O-N 3.44Å; G384-G388 PolarHBondContact O-N 2.65Å; G384-K389 WeakPolarHBondContact O-CA 3.23Å; G384-K389 WeakPolarHBondContact O-CB 3.33Å; G384-K389 PolarHBondContact O-N 2.99Å; G384-I390 PolarHBondContact O-N 3.05Å
385	W	90.4	Very high	88.6	Confident	3 Å²	3	44.8 Å²	44.8	1%	0.011	24%	0.24	C	C	.	.	H	α-helix	trans	-72.6	-43.1	176.4	-168.9	58.1	0	0	0	112.5	I343 V381 S383 Q387 G388 I390 Q391 I393 F399 I403 K405 V408	I343-W385 HydrophobicContact CD1-CH2 4.01Å; I343-W385 HydrophobicContact CG1-CH2 3.93Å; I343-W385 HydrophobicContact CG1-CZ2 3.94Å; V381-W385 WeakPolarHBondContact O-CB 3.44Å; V381-W385 PolarHBondContact O-N 3.18Å; S383-W385 VanDerWaalsContact C-N 3.34Å; S383-W385 PolarHBondContact O-N 3.45Å; W385-Q387 VanDerWaalsContact C-N 3.27Å; W385-Q387 PolarHBondContact O-N 3.48Å; W385-G388 PolarHBondContact O-N 3.1Å; W385-G388 VanDerWaalsContact O-N 3.09Å; W385-I390 HydrophobicContact CB-CB 4.23Å; W385-Q391 PolarHBondContact NE1-O 2.87Å; W385-Q391 VanDerWaalsContact NE1-O 3.12Å; W385-I393 HydrophobicContact CB-CD1 4.08Å; W385-I393 HydrophobicContact CB-CG1 4.2Å; W385-I393 HydrophobicContact CD2-CG1 3.79Å; W385-I393 HydrophobicContact CE3-CG1 4.41Å; W385-I393 HydrophobicContact CG-CD1 4.03Å; W385-I393 HydrophobicContact CG-CG1 3.66Å; W385-F399 HydrophobicContact CD2-CZ 4.47Å; W385-F399 AromaticContact CE3-CZ 3.96Å; W385-F399 HydrophobicContact CE3-CZ 3.96Å; W385-F399 HydrophobicContact CH2-CE1 4.29Å; W385-F399 HydrophobicContact CH2-CZ 4.28Å; W385-F399 HydrophobicContact CZ3-CE1 4.25Å; W385-F399 AromaticContact CZ3-CZ 3.85Å; W385-F399 HydrophobicContact CZ3-CZ 3.85Å; W385-I403 HydrophobicContact CE3-CG2 3.96Å; W385-I403 HydrophobicContact CZ3-CB 4.44Å; W385-I403 HydrophobicContact CZ3-CG2 3.52Å; W385-K405 HydrophobicContact CD2-CD 3.84Å; W385-K405 HydrophobicContact CE3-CB 4.24Å; W385-K405 HydrophobicContact CE3-CD 3.88Å; W385-K405 HydrophobicContact CH2-CB 3.94Å; W385-K405 HydrophobicContact CH2-CD 4Å; W385-K405 HydrophobicContact CH2-CG 4.43Å; W385-K405 HydrophobicContact CZ2-CD 3.95Å; W385-K405 HydrophobicContact CZ3-CB 3.67Å; W385-K405 HydrophobicContact CZ3-CD 3.96Å; W385-K405 HydrophobicContact CZ3-CG 4.4Å; W385-V408 HydrophobicContact CH2-CG2 3.48Å; W385-V408 VanDerWaalsContact CH2-CG2 3.48Å; W385-V408 HydrophobicContact CZ2-CG2 3.8Å
386	S	84.8	Confident	89.3	Confident	42 Å²	42	41 Å²	41	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-37.3	174.5	-67.6	0	0	0	0	112.3	H382 S383 G388	H382-S386 WeakPolarHBondContact O-CB 3.46Å; H382-S386 PolarHBondContact O-N 3.42Å; H382-S386 PolarHBondContact O-OG 3.15Å; H382-S386 VanDerWaalsContact O-OG 3.08Å; S383-S386 PolarHBondContact O-N 3.1Å; S386-G388 VanDerWaalsContact C-N 3.29Å; S386-G388 PolarHBondContact O-N 3.35Å
387	Q	86.8	Confident	89	Confident	113 Å²	113	39.7 Å²	39.7	53%	0.528	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.6	177.1	-67.3	172.2	10.5	0	0	114.1	S383 W385 K389	S383-Q387 WeakPolarHBondContact O-CB 3.47Å; S383-Q387 VanDerWaalsContact O-CG 3.22Å; S383-Q387 WeakPolarHBondContact O-CG 3.46Å; S383-Q387 PolarHBondContact O-N 2.75Å; S383-Q387 PolarHBondContact OG-NE2 3.12Å; S383-Q387 VanDerWaalsContact OG-NE2 3.15Å; W385-Q387 VanDerWaalsContact C-N 3.27Å; W385-Q387 PolarHBondContact O-N 3.48Å; Q387-K389 HydrophobicContact CB-CD 4.5Å; Q387-K389 HydrophobicContact CB-CG 4.28Å; Q387-K389 PolarHBondContact O-N 3.28Å; Q387-K389 VanDerWaalsContact OE1-CE 3.27Å
388	G	88.1	Confident	88.1	Confident	42 Å²	42	35.8 Å²	35.8	43%	0.433	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	9	-177.7	0	0	0	0	0	115.2	G384 W385 S386 I390	G384-G388 PolarHBondContact O-N 2.65Å; W385-G388 PolarHBondContact O-N 3.1Å; W385-G388 VanDerWaalsContact O-N 3.09Å; S386-G388 VanDerWaalsContact C-N 3.29Å; S386-G388 PolarHBondContact O-N 3.35Å; G388-I390 VanDerWaalsContact C-N 3.32Å
389	K	93.4	Very high	87.2	Confident	140 Å²	140	34 Å²	34	61%	0.609	20%	0.202	S	C	*	.	S	Bend	trans	-71	-31.5	172.7	-63.9	177.7	175.9	161	0	111.6	G384 Q387	G384-K389 WeakPolarHBondContact O-CA 3.23Å; G384-K389 WeakPolarHBondContact O-CB 3.33Å; G384-K389 PolarHBondContact O-N 2.99Å; Q387-K389 HydrophobicContact CB-CD 4.5Å; Q387-K389 HydrophobicContact CB-CG 4.28Å; Q387-K389 PolarHBondContact O-N 3.28Å; Q387-K389 VanDerWaalsContact OE1-CE 3.27Å
390	I	95	Very high	86	Confident	28 Å²	28	32.3 Å²	32.3	14%	0.144	19%	0.19	C	C	.	.			trans	-107.3	133.7	169.8	-59.6	167.4	0	0	0	107	A367 V381 G384 W385 G388 V392 I393	A367-I390 HydrophobicContact CB-CD1 3.96Å; A367-I390 HydrophobicContact CB-CG2 4.21Å; V381-I390 HydrophobicContact CB-CD1 4.42Å; V381-I390 HydrophobicContact CG1-CD1 4.19Å; G384-I390 PolarHBondContact O-N 3.05Å; W385-I390 HydrophobicContact CB-CB 4.23Å; G388-I390 VanDerWaalsContact C-N 3.32Å; I390-V392 WeakPolarHBondContact CG2-O 3.4Å; I390-I393 HydrophobicContact CG2-CD1 3.66Å
391	Q	95.7	Very high	84.5	Confident	22 Å²	22	29.6 Å²	29.6	10%	0.103	17%	0.171	C	C	.	.			trans	-90.5	-49.4	179	-176.4	-170.2	1.6	0	0	110.8	Y337 Q340 S341 G342 K365 W385	Y337-Q391 PolarHBondContact O-NE2 3.02Å; Q340-Q391 WeakPolarHBondContact O-CG 3.25Å; Q340-Q391 PolarHBondContact O-NE2 3.25Å; S341-Q391 VanDerWaalsContact CA-O 3.28Å; S341-Q391 WeakPolarHBondContact CA-O 3.39Å; G342-Q391 PolarHBondContact N-O 2.9Å; G342-Q391 VanDerWaalsContact N-O 3.09Å; K365-Q391 HydrophobicContact CB-CB 4.07Å; K365-Q391 WeakPolarHBondContact O-CA 3.23Å; K365-Q391 WeakPolarHBondContact O-CB 3.45Å; K365-Q391 PolarHBondContact O-N 3.24Å; W385-Q391 PolarHBondContact NE1-O 2.87Å; W385-Q391 VanDerWaalsContact NE1-O 3.12Å
392	V	96.8	Very high	82.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.3	-171.7	-167.9	0	0	0	0	110.9	I333 G342 V344 K365 V366 A367 I390 F410	I333-V392 HydrophobicContact CD1-CG2 4.41Å; I333-V392 HydrophobicContact CG2-CG2 4.26Å; G342-V392 WeakPolarHBondContact O-CA 3.46Å; V344-V392 HydrophobicContact CB-CG1 4.46Å; V344-V392 HydrophobicContact CG2-CG1 3.61Å; K365-V392 PolarHBondContact O-N 2.95Å; K365-V392 VanDerWaalsContact O-N 3.1Å; V366-V392 VanDerWaalsContact CA-O 3.25Å; V366-V392 WeakPolarHBondContact CA-O 3.28Å; V366-V392 HydrophobicContact CB-CB 4.46Å; V366-V392 HydrophobicContact CG1-CB 3.79Å; V366-V392 HydrophobicContact CG1-CG2 4.21Å; A367-V392 PolarHBondContact N-O 3.33Å; A367-V392 VanDerWaalsContact N-O 3.16Å; I390-V392 WeakPolarHBondContact CG2-O 3.4Å; V392-F410 HydrophobicContact CG1-CE2 4.31Å; V392-F410 HydrophobicContact CG1-CZ 4.46Å; V392-F410 HydrophobicContact CG2-CE2 4.47Å; V392-F410 HydrophobicContact CG2-CZ 3.85Å
393	I	95.4	Very high	81.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.1	168.1	-57.1	-61.3	0	0	0	109.8	G342 I343 V344 A367 V381 W385 I390 A395 F399	G342-I393 PolarHBondContact O-N 3.42Å; G342-I393 VanDerWaalsContact O-N 3.13Å; I343-I393 CarbonylContact C-O 3.53Å; I343-I393 WeakPolarHBondContact CA-O 3.01Å; V344-I393 PolarHBondContact N-O 3.22Å; A367-I393 HydrophobicContact CB-CD1 4.14Å; V381-I393 HydrophobicContact CG1-CD1 3.44Å; V381-I393 VanDerWaalsContact CG1-CD1 3.44Å; W385-I393 HydrophobicContact CB-CD1 4.08Å; W385-I393 HydrophobicContact CB-CG1 4.2Å; W385-I393 HydrophobicContact CD2-CG1 3.79Å; W385-I393 HydrophobicContact CE3-CG1 4.41Å; W385-I393 HydrophobicContact CG-CD1 4.03Å; W385-I393 HydrophobicContact CG-CG1 3.66Å; I390-I393 HydrophobicContact CG2-CD1 3.66Å; I393-A395 HydrophobicContact CG2-CB 4.21Å; I393-F399 HydrophobicContact CB-CD1 4.39Å; I393-F399 HydrophobicContact CB-CE1 3.71Å; I393-F399 HydrophobicContact CB-CE2 3.95Å; I393-F399 HydrophobicContact CB-CZ 3.45Å; I393-F399 VanDerWaalsContact CB-CZ 3.45Å; I393-F399 HydrophobicContact CG1-CE1 4.16Å; I393-F399 HydrophobicContact CG1-CE2 3.93Å; I393-F399 HydrophobicContact CG1-CZ 3.44Å; I393-F399 VanDerWaalsContact CG1-CZ 3.44Å; I393-F399 HydrophobicContact CG2-CD1 3.98Å; I393-F399 HydrophobicContact CG2-CD2 3.72Å; I393-F399 HydrophobicContact CG2-CE1 3.73Å; I393-F399 HydrophobicContact CG2-CE2 3.38Å; I393-F399 HydrophobicContact CG2-CG 3.98Å; I393-F399 HydrophobicContact CG2-CZ 3.41Å; I393-F399 VanDerWaalsContact CG2-CZ 3.41Å
394	V	97.1	Very high	81.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.4	175.1	-171.3	0	0	0	0	108.2	V344 C346 T352 V355 L359 A367 P368 Y369	V344-V394 HydrophobicContact CB-CG1 4.38Å; V344-V394 HydrophobicContact CB-CG2 4.34Å; V344-V394 HydrophobicContact CG1-CG1 4.3Å; V344-V394 CarbonylContact O-C 3.6Å; V344-V394 WeakPolarHBondContact O-CA 3.3Å; C346-V394 VanDerWaalsContact SG-CG1 3.54Å; T352-V394 HydrophobicContact CG2-CG1 4.42Å; V355-V394 HydrophobicContact CB-CG1 4.03Å; V355-V394 HydrophobicContact CG1-CG1 3.96Å; L359-V394 HydrophobicContact CD1-CG2 4.12Å; A367-V394 PolarHBondContact O-N 2.99Å; P368-V394 CarbonylContact C-O 3.53Å; P368-V394 VanDerWaalsContact CA-O 3.27Å; P368-V394 WeakPolarHBondContact CA-O 3.47Å; Y369-V394 PolarHBondContact N-O 3.2Å
395	A	93.8	Very high	80.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.2	-157.5	0	0	0	0	0	113.8	I343 V344 Y345 C346 Y369 I393 F399	I343-A395 HydrophobicContact CG2-CB 4.33Å; V344-A395 PolarHBondContact O-N 2.89Å; Y345-A395 CarbonylContact C-O 3.5Å; Y345-A395 VanDerWaalsContact CA-O 3.27Å; Y345-A395 WeakPolarHBondContact CA-O 3.31Å; Y345-A395 HydrophobicContact CD1-CB 4.12Å; Y345-A395 HydrophobicContact CE1-CB 4.13Å; C346-A395 PolarHBondContact N-O 3.24Å; Y369-A395 VanDerWaalsContact O-CA 3.27Å; Y369-A395 WeakPolarHBondContact O-CA 3.48Å; I393-A395 HydrophobicContact CG2-CB 4.21Å; A395-F399 HydrophobicContact CB-CB 3.22Å; A395-F399 HydrophobicContact CB-CD1 3.73Å; A395-F399 HydrophobicContact CB-CG 3.6Å
396	T	90.9	Very high	80.2	Confident	16 Å²	16	33.8 Å²	33.8	10%	0.098	19%	0.194	C	C	.	.			trans	-85.3	174.3	155.5	56.7	0	0	0	0	109	Q349 T352 Y369 H370 A398 F399	Q349-T396 HydrophobicContact CG-CG2 4.3Å; T352-T396 HydrophobicContact CG2-CG2 3.73Å; Y369-T396 PolarHBondContact O-N 2.76Å; Y369-T396 VanDerWaalsContact O-N 3.09Å; H370-T396 HydrophobicContact CB-CG2 4.18Å; H370-T396 WeakPolarHBondContact CB-OG1 3.5Å; T396-A398 PolarHBondContact O-N 3.35Å; T396-A398 WeakPolarHBondContact OG1-CB 3.45Å; T396-F399 PolarHBondContact O-N 2.89Å
397	V	77.7	Confident	80.5	Confident	78 Å²	78	34.8 Å²	34.8	47%	0.473	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-51.4	-22.9	175	-170.8	0	0	0	0	112.6	F399 G400 E426	V397-F399 PolarHBondContact O-N 2.96Å; V397-G400 PolarHBondContact O-N 2.95Å; V397-E426 WeakPolarHBondContact CG2-OE1 3.41Å
398	A	68.5	Low	80.8	Confident	16 Å²	16	29.5 Å²	29.5	13%	0.132	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-55.3	-31.9	174	0	0	0	0	0	114.6	A371 T396 G400	A371-A398 HydrophobicContact CB-CB 4.05Å; T396-A398 PolarHBondContact O-N 3.35Å; T396-A398 WeakPolarHBondContact OG1-CB 3.45Å; A398-G400 PolarHBondContact O-N 3.07Å
399	F	63.8	Low	81.2	Confident	3 Å²	3	29.5 Å²	29.5	1%	0.013	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-70.3	-16.9	177.4	-174	-116.2	0	0	0	113.1	I343 Y369 W385 I393 A395 T396 V397 I403	I343-F399 HydrophobicContact CD1-CD1 4.19Å; I343-F399 HydrophobicContact CD1-CE1 3.75Å; I343-F399 HydrophobicContact CG1-CD1 4.47Å; I343-F399 HydrophobicContact CG1-CE1 3.86Å; I343-F399 HydrophobicContact CG2-CD1 3.79Å; I343-F399 HydrophobicContact CG2-CE1 3.96Å; Y369-F399 HydrophobicContact CD1-CB 3.57Å; Y369-F399 AromaticContact CD1-CD2 3.44Å; Y369-F399 HydrophobicContact CD1-CD2 3.44Å; Y369-F399 VanDerWaalsContact CD1-CD2 3.44Å; Y369-F399 AromaticContact CD1-CG 3.97Å; Y369-F399 HydrophobicContact CD1-CG 3.97Å; Y369-F399 AromaticContact CD2-CD2 3.44Å; Y369-F399 HydrophobicContact CD2-CD2 3.44Å; Y369-F399 VanDerWaalsContact CD2-CD2 3.44Å; Y369-F399 AromaticContact CD2-CE2 3.76Å; Y369-F399 HydrophobicContact CD2-CE2 3.76Å; Y369-F399 HydrophobicContact CE1-CB 4.12Å; Y369-F399 AromaticContact CE1-CD2 3.85Å; Y369-F399 HydrophobicContact CE1-CD2 3.85Å; Y369-F399 AromaticContact CE2-CD2 3.83Å; Y369-F399 HydrophobicContact CE2-CD2 3.83Å; Y369-F399 HydrophobicContact CE2-CE2 4.15Å; Y369-F399 HydrophobicContact CG-CB 4.08Å; Y369-F399 AromaticContact CG-CD2 3.21Å; Y369-F399 HydrophobicContact CG-CD2 3.21Å; Y369-F399 AromaticContact CG-CE2 3.94Å; Y369-F399 HydrophobicContact CG-CE2 3.94Å; Y369-F399 HydrophobicContact CG-CG 4.03Å; W385-F399 HydrophobicContact CD2-CZ 4.47Å; W385-F399 AromaticContact CE3-CZ 3.96Å; W385-F399 HydrophobicContact CE3-CZ 3.96Å; W385-F399 HydrophobicContact CH2-CE1 4.29Å; W385-F399 HydrophobicContact CH2-CZ 4.28Å; W385-F399 HydrophobicContact CZ3-CE1 4.25Å; W385-F399 AromaticContact CZ3-CZ 3.85Å; W385-F399 HydrophobicContact CZ3-CZ 3.85Å; I393-F399 HydrophobicContact CB-CD1 4.39Å; I393-F399 HydrophobicContact CB-CE1 3.71Å; I393-F399 HydrophobicContact CB-CE2 3.95Å; I393-F399 HydrophobicContact CB-CZ 3.45Å; I393-F399 VanDerWaalsContact CB-CZ 3.45Å; I393-F399 HydrophobicContact CG1-CE1 4.16Å; I393-F399 HydrophobicContact CG1-CE2 3.93Å; I393-F399 HydrophobicContact CG1-CZ 3.44Å; I393-F399 VanDerWaalsContact CG1-CZ 3.44Å; I393-F399 HydrophobicContact CG2-CD1 3.98Å; I393-F399 HydrophobicContact CG2-CD2 3.72Å; I393-F399 HydrophobicContact CG2-CE1 3.73Å; I393-F399 HydrophobicContact CG2-CE2 3.38Å; I393-F399 HydrophobicContact CG2-CG 3.98Å; I393-F399 HydrophobicContact CG2-CZ 3.41Å; I393-F399 VanDerWaalsContact CG2-CZ 3.41Å; A395-F399 HydrophobicContact CB-CB 3.22Å; A395-F399 HydrophobicContact CB-CD1 3.73Å; A395-F399 HydrophobicContact CB-CG 3.6Å; T396-F399 PolarHBondContact O-N 2.89Å; V397-F399 PolarHBondContact O-N 2.96Å; F399-I403 HydrophobicContact CD2-CD1 3.62Å; F399-I403 HydrophobicContact CE1-CD1 4.27Å; F399-I403 HydrophobicContact CE2-CD1 3.04Å; F399-I403 HydrophobicContact CE2-CG1 4.3Å; F399-I403 HydrophobicContact CG-CD1 4.48Å; F399-I403 HydrophobicContact CZ-CD1 3.41Å; F399-I403 VanDerWaalsContact CZ-CD1 3.41Å
400	G	54.3	Low	81.4	Confident	2 Å²	2	22.8 Å²	22.8	2%	0.021	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-55.4	-173.3	0	0	0	0	0	111.4	V397 A398 G402 R429	V397-G400 PolarHBondContact O-N 2.95Å; A398-G400 PolarHBondContact O-N 3.07Å; G400-G402 PolarHBondContact O-N 3.4Å; G400-G402 VanDerWaalsContact O-N 3.08Å; G400-R429 VanDerWaalsContact CA-NE 3.34Å; G400-R429 PolarHBondContact O-NH1 2.81Å; G400-R429 PolarHBondContact O-NH2 2.93Å
401	M	57	Low	81.5	Confident	40 Å²	40	21.5 Å²	21.5	20%	0.197	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.3	-136.5	-65.1	172.3	-70.9	0	0	116.5	L152 S154 L155	L152-M401 HydrophobicContact CB-CE 3.39Å; L152-M401 HydrophobicContact CB-SD 3.6Å; L152-M401 VanDerWaalsContact CB-SD 3.6Å; L152-M401 HydrophobicContact CD1-CE 3.55Å; L152-M401 HydrophobicContact CD1-SD 3.03Å; L152-M401 WeakPolarHBondContact CD1-SD 3.47Å; L152-M401 HydrophobicContact CD2-CE 4.17Å; L152-M401 HydrophobicContact CG-CE 3.82Å; L152-M401 HydrophobicContact CG-SD 3.79Å; S154-M401 WeakPolarHBondContact OG-CE 3.35Å; L155-M401 HydrophobicContact CB-CB 3.57Å; L155-M401 HydrophobicContact CB-CE 4.24Å; L155-M401 HydrophobicContact CB-CG 4.48Å; L155-M401 HydrophobicContact CB-SD 4.1Å; L155-M401 HydrophobicContact CD1-CB 3.5Å; L155-M401 WeakPolarHBondContact CD1-O 3.47Å; L155-M401 HydrophobicContact CD2-CB 3.89Å; L155-M401 HydrophobicContact CD2-CG 4.46Å; L155-M401 HydrophobicContact CD2-SD 4.26Å; L155-M401 HydrophobicContact CG-CB 3.82Å
402	G	53.9	Low	81.6	Confident	7 Å²	7	20.4 Å²	20.4	7%	0.072	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	2.2	-175.3	0	0	0	0	0	117.8	D158 N162 G400	D158-G402 VanDerWaalsContact CB-CA 3.48Å; D158-G402 PolarHBondContact OD2-N 2.95Å; N162-G402 PolarHBondContact ND2-O 2.91Å; G400-G402 PolarHBondContact O-N 3.4Å; G400-G402 VanDerWaalsContact O-N 3.08Å
403	I	62.6	Low	81.7	Confident	8 Å²	8	20.4 Å²	20.4	4%	0.041	12%	0.118	C	C	.	.			trans	-81.9	129.3	-178	-46.8	-160.5	0	0	0	112	H382 W385 F399 R432	H382-I403 WeakPolarHBondContact CD2-CD1 3.19Å; H382-I403 WeakPolarHBondContact CE1-CG2 3.47Å; H382-I403 WeakPolarHBondContact NE2-CD1 3.24Å; H382-I403 WeakPolarHBondContact NE2-CG1 3.46Å; W385-I403 HydrophobicContact CE3-CG2 3.96Å; W385-I403 HydrophobicContact CZ3-CB 4.44Å; W385-I403 HydrophobicContact CZ3-CG2 3.52Å; F399-I403 HydrophobicContact CD2-CD1 3.62Å; F399-I403 HydrophobicContact CE1-CD1 4.27Å; F399-I403 HydrophobicContact CE2-CD1 3.04Å; F399-I403 HydrophobicContact CE2-CG1 4.3Å; F399-I403 HydrophobicContact CG-CD1 4.48Å; F399-I403 HydrophobicContact CZ-CD1 3.41Å; F399-I403 VanDerWaalsContact CZ-CD1 3.41Å; I403-R432 PolarHBondContact O-NH1 3.09Å
404	D	65.6	Low	81.7	Confident	89 Å²	89	20.8 Å²	20.8	48%	0.476	12%	0.119	S	C	.	.			trans	-113.8	82.5	173.5	-159.6	28.7	0	0	0	111.5	R432	D404-R432 IonicContact OD1-CZ 3.76Å; D404-R432 IonicContact OD1-NH1 2.63Å; D404-R432 PolarHBondContact OD1-NH1 2.71Å
405	K	80.1	Confident	81.6	Confident	20 Å²	20	21 Å²	21	9%	0.087	12%	0.121	C	C	.	.			trans	-107.5	114.7	165.7	-175.8	165.9	174.5	57.1	0	107.5	S341 W385 D407 V408	S341-K405 WeakPolarHBondContact OG-CE 3.49Å; W385-K405 HydrophobicContact CD2-CD 3.84Å; W385-K405 HydrophobicContact CE3-CB 4.24Å; W385-K405 HydrophobicContact CE3-CD 3.88Å; W385-K405 HydrophobicContact CH2-CB 3.94Å; W385-K405 HydrophobicContact CH2-CD 4Å; W385-K405 HydrophobicContact CH2-CG 4.43Å; W385-K405 HydrophobicContact CZ2-CD 3.95Å; W385-K405 HydrophobicContact CZ3-CB 3.67Å; W385-K405 HydrophobicContact CZ3-CD 3.96Å; W385-K405 HydrophobicContact CZ3-CG 4.4Å; K405-D407 VanDerWaalsContact C-N 3.33Å; K405-D407 VanDerWaalsContact CE-OD1 3.28Å; K405-D407 WeakPolarHBondContact CE-OD1 3.05Å; K405-D407 WeakPolarHBondContact CG-OD1 3.5Å; K405-D407 IonicContact NZ-OD1 3.98Å; K405-D407 PolarHBondContact NZ-OD1 3.44Å; K405-D407 IonicContact NZ-OD2 3.06Å; K405-D407 PolarHBondContact NZ-OD2 2.84Å; K405-D407 PolarHBondContact O-N 3.4Å; K405-V408 HydrophobicContact CB-CG2 4.06Å; K405-V408 HydrophobicContact CG-CG2 4.18Å; K405-V408 WeakPolarHBondContact O-CG2 3.21Å
406	A	83.7	Confident	81.6	Confident	43 Å²	43	21.3 Å²	21.3	36%	0.355	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-32.9	-172.9	0	0	0	0	0	112.5	V408 R432 D433	A406-V408 PolarHBondContact O-N 3.3Å; A406-R432 HydrophobicContact CB-CB 4.47Å; A406-R432 PolarHBondContact O-N 3.01Å; A406-D433 HydrophobicContact CB-CB 4.14Å; A406-D433 PolarHBondContact O-N 3.42Å; A406-D433 VanDerWaalsContact O-N 3.1Å
407	D	90	Very high	81.7	Confident	63 Å²	63	20.9 Å²	20.9	34%	0.337	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	29.8	-168.1	63.6	-45.4	0	0	0	114.4	K405 R409	K405-D407 VanDerWaalsContact C-N 3.33Å; K405-D407 VanDerWaalsContact CE-OD1 3.28Å; K405-D407 WeakPolarHBondContact CE-OD1 3.05Å; K405-D407 WeakPolarHBondContact CG-OD1 3.5Å; K405-D407 IonicContact NZ-OD1 3.98Å; K405-D407 PolarHBondContact NZ-OD1 3.44Å; K405-D407 IonicContact NZ-OD2 3.06Å; K405-D407 PolarHBondContact NZ-OD2 2.84Å; K405-D407 PolarHBondContact O-N 3.4Å; D407-R409 VanDerWaalsContact C-CZ 3.45Å; D407-R409 PolarHBondContact O-N 3.08Å
408	V	93.7	Very high	82.4	Confident	3 Å²	3	18.7 Å²	18.7	2%	0.018	11%	0.105	C	C	.	.			trans	-70.5	117.1	173.6	-179.8	0	0	0	0	109.2	I343 W385 K405 A406 F410 V411 A430 G431	I343-V408 HydrophobicContact CD1-CG1 4.34Å; I343-V408 HydrophobicContact CG1-CG1 4.16Å; W385-V408 HydrophobicContact CH2-CG2 3.48Å; W385-V408 VanDerWaalsContact CH2-CG2 3.48Å; W385-V408 HydrophobicContact CZ2-CG2 3.8Å; K405-V408 HydrophobicContact CB-CG2 4.06Å; K405-V408 HydrophobicContact CG-CG2 4.18Å; K405-V408 WeakPolarHBondContact O-CG2 3.21Å; A406-V408 PolarHBondContact O-N 3.3Å; V408-F410 WeakPolarHBondContact CG1-O 3.4Å; V408-V411 HydrophobicContact CG1-CG2 4.2Å; V408-A430 WeakPolarHBondContact O-CA 3.15Å; V408-G431 PolarHBondContact O-N 2.89Å
409	R	96.9	Very high	83.6	Confident	41 Å²	41	18 Å²	18	16%	0.155	10%	0.099	C	C	.	.			trans	-94.3	-20.9	-174.5	-62.6	-64.5	78.1	107.8	-0.9	114.2	Q340 S341 D407 D433 A437 D438	Q340-R409 HydrophobicContact CB-CB 3.91Å; Q340-R409 HydrophobicContact CB-CG 3.84Å; Q340-R409 HydrophobicContact CG-CB 4.41Å; Q340-R409 HydrophobicContact CG-CG 4Å; S341-R409 PolarHBondContact O-N 2.97Å; D407-R409 VanDerWaalsContact C-CZ 3.45Å; D407-R409 PolarHBondContact O-N 3.08Å; R409-D433 IonicContact CZ-OD1 2.78Å; R409-D433 IonicContact CZ-OD2 3.65Å; R409-D433 VanDerWaalsContact CZ-OD2 3.3Å; R409-D433 IonicContact NH1-OD1 2.9Å; R409-D433 IonicContact NH1-OD2 3.82Å; R409-D433 PolarHBondContact NH1-OD2 2.95Å; R409-D433 IonicContact NH2-OD1 3.53Å; R409-D433 PolarHBondContact NH2-OD1 3.15Å; R409-D433 IonicContact NH2-OD2 3.93Å; R409-D433 PolarHBondContact NH2-OD2 2.94Å; R409-A437 CarbonylContact O-C 3.59Å; R409-A437 VanDerWaalsContact O-CA 3.29Å; R409-A437 WeakPolarHBondContact O-CA 3.43Å; R409-A437 WeakPolarHBondContact O-CB 3.45Å; R409-D438 PolarHBondContact O-N 3.43Å
410	F	97.7	Very high	85	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.5	174.9	62.8	-87.3	0	0	0	112.4	I333 Y337 Q340 G342 I343 V392 V408 I412 D438	I333-F410 HydrophobicContact CD1-CE2 4.21Å; I333-F410 HydrophobicContact CD1-CZ 4.43Å; I333-F410 HydrophobicContact CG1-CE2 4.04Å; I333-F410 HydrophobicContact CG1-CZ 4.11Å; I333-F410 HydrophobicContact CG2-CZ 4.17Å; Y337-F410 VanDerWaalsContact CB-CE1 3.41Å; Y337-F410 HydrophobicContact CD1-CB 4.08Å; Y337-F410 AromaticContact CD1-CD1 3.53Å; Y337-F410 HydrophobicContact CD1-CD1 3.53Å; Y337-F410 HydrophobicContact CD1-CE1 4.29Å; Y337-F410 HydrophobicContact CD1-CG 4.09Å; Y337-F410 HydrophobicContact CD2-CB 4.45Å; Y337-F410 AromaticContact CD2-CD1 3.94Å; Y337-F410 HydrophobicContact CD2-CD1 3.94Å; Y337-F410 HydrophobicContact CD2-CE1 4.3Å; Y337-F410 HydrophobicContact CD2-CG 4.1Å; Y337-F410 HydrophobicContact CE1-CB 3.86Å; Y337-F410 HydrophobicContact CE1-CD1 4.2Å; Y337-F410 HydrophobicContact CE1-CG 4.34Å; Y337-F410 HydrophobicContact CE2-CB 4.24Å; Y337-F410 HydrophobicContact CE2-CG 4.35Å; Y337-F410 HydrophobicContact CG-CB 4.39Å; Y337-F410 AromaticContact CG-CD1 3.39Å; Y337-F410 HydrophobicContact CG-CD1 3.39Å; Y337-F410 AromaticContact CG-CE1 3.77Å; Y337-F410 HydrophobicContact CG-CE1 3.77Å; Y337-F410 AromaticContact CG-CG 3.98Å; Y337-F410 HydrophobicContact CG-CG 3.98Å; Q340-F410 WeakPolarHBondContact O-CE1 3.12Å; G342-F410 WeakPolarHBondContact CA-O 3.39Å; I343-F410 PolarHBondContact N-O 2.92Å; V392-F410 HydrophobicContact CG1-CE2 4.31Å; V392-F410 HydrophobicContact CG1-CZ 4.46Å; V392-F410 HydrophobicContact CG2-CE2 4.47Å; V392-F410 HydrophobicContact CG2-CZ 3.85Å; V408-F410 WeakPolarHBondContact CG1-O 3.4Å; F410-I412 HydrophobicContact CD2-CD1 3.54Å; F410-I412 HydrophobicContact CD2-CG1 3.82Å; F410-I412 HydrophobicContact CE2-CD1 3.83Å; F410-I412 HydrophobicContact CE2-CG1 4.49Å; F410-I412 HydrophobicContact CG-CD1 4.49Å; F410-D438 CarbonylContact C-O 3.6Å; F410-D438 WeakPolarHBondContact CA-O 3.39Å
411	V	96.6	Very high	86.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.8	165.2	178.2	0	0	0	0	107.3	I343 Y345 V408 R429 A430 D438 C439 I440	I343-V411 HydrophobicContact CB-CG2 4.45Å; I343-V411 CarbonylContact O-C 3.55Å; I343-V411 WeakPolarHBondContact O-CA 3.33Å; Y345-V411 HydrophobicContact CD2-CG1 3.73Å; Y345-V411 HydrophobicContact CE2-CG1 3.72Å; V408-V411 HydrophobicContact CG1-CG2 4.2Å; V411-R429 HydrophobicContact CG2-CB 4.16Å; V411-A430 HydrophobicContact CG2-CB 3.77Å; V411-D438 PolarHBondContact N-O 2.86Å; V411-C439 CarbonylContact O-C 3.58Å; V411-C439 WeakPolarHBondContact O-CA 3.49Å; V411-I440 PolarHBondContact O-N 2.81Å
412	I	97.9	Very high	88.2	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.9	179.4	-61.3	163.2	0	0	0	108.8	L329 L332 I333 I343 V344 Y345 F410 F414 I440 M442	L329-I412 HydrophobicContact CD1-CB 4.32Å; L329-I412 HydrophobicContact CD1-CD1 3.61Å; L329-I412 HydrophobicContact CD1-CG2 3.78Å; L332-I412 HydrophobicContact CD2-CD1 3.96Å; I333-I412 HydrophobicContact CD1-CD1 4.36Å; I333-I412 HydrophobicContact CG1-CD1 4.03Å; I343-I412 PolarHBondContact O-N 2.99Å; V344-I412 CarbonylContact C-O 3.54Å; V344-I412 WeakPolarHBondContact CA-O 3.47Å; V344-I412 HydrophobicContact CG2-CB 4.35Å; Y345-I412 PolarHBondContact N-O 2.88Å; F410-I412 HydrophobicContact CD2-CD1 3.54Å; F410-I412 HydrophobicContact CD2-CG1 3.82Å; F410-I412 HydrophobicContact CE2-CD1 3.83Å; F410-I412 HydrophobicContact CE2-CG1 4.49Å; F410-I412 HydrophobicContact CG-CD1 4.49Å; I412-F414 PolarHBondContact O-N 2.56Å; I412-I440 CarbonylContact C-O 3.58Å; I412-I440 VanDerWaalsContact CA-O 3.26Å; I412-I440 WeakPolarHBondContact CA-O 3.34Å; I412-I440 HydrophobicContact CG1-CB 4.15Å; I412-I440 HydrophobicContact CG1-CD1 4.42Å; I412-M442 HydrophobicContact CG2-CG 4.32Å; I412-M442 HydrophobicContact CG2-SD 4.03Å
413	H	97.5	Very high	90.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	98.2	171.9	-62.6	73.9	0	0	0	107.3	Y345 S415 S417 Y423 E426 I440 L441 M442	Y345-H413 AromaticContact CD2-NE2 3.76Å; H413-S415 WeakPolarHBondContact CB-O 3.47Å; H413-S415 PolarHBondContact O-N 3.08Å; H413-S417 PolarHBondContact CD2-OG 2.83Å; H413-Y423 AromaticContact CD2-CD2 3.83Å; H413-Y423 AromaticContact CE1-CD2 3.61Å; H413-Y423 AromaticContact CE1-CE2 3.46Å; H413-Y423 VanDerWaalsContact CE1-CE2 3.46Å; H413-Y423 WeakPolarHBondContact CE1-CE2 3.3Å; H413-Y423 AromaticContact CG-CE2 3.9Å; H413-Y423 AromaticContact ND1-CD2 3.93Å; H413-Y423 AromaticContact ND1-CE2 3.47Å; H413-Y423 WeakPolarHBondContact ND1-CE2 3.43Å; H413-Y423 AromaticContact NE2-CD2 3.55Å; H413-Y423 AromaticContact NE2-CE2 3.89Å; H413-E426 IonicContact CD2-OE2 2.97Å; H413-E426 PolarHBondContact CD2-OE2 2.95Å; H413-E426 VanDerWaalsContact CD2-OE2 3.29Å; H413-E426 VanDerWaalsContact NE2-CB 3.28Å; H413-E426 WeakPolarHBondContact NE2-CB 3.31Å; H413-E426 IonicContact NE2-OE2 3.3Å; H413-E426 PolarHBondContact NE2-OE2 3.31Å; H413-I440 PolarHBondContact N-O 2.77Å; H413-L441 HydrophobicContact CB-CB 4.34Å; H413-L441 HydrophobicContact CB-CG 4.11Å; H413-M442 PolarHBondContact O-N 3.2Å
414	F	97	Very high	91.4	Very high	7 Å²	7	16.4 Å²	16.4	3%	0.031	9%	0.089	C	C	.	.	S	Bend	trans	-67.4	-25.2	173.7	-170.5	-99.6	0	0	0	111.5	I322 V326 L329 V344 Y345 V355 I412 M442	I322-F414 HydrophobicContact CG2-CE1 4.47Å; I322-F414 HydrophobicContact CG2-CZ 4.34Å; V326-F414 HydrophobicContact CG2-CE2 4.09Å; V326-F414 HydrophobicContact CG2-CZ 3.74Å; L329-F414 HydrophobicContact CD2-CD2 3.88Å; L329-F414 HydrophobicContact CD2-CE2 4.31Å; V344-F414 HydrophobicContact CG1-CB 3.87Å; Y345-F414 WeakPolarHBondContact O-CA 3.45Å; Y345-F414 WeakPolarHBondContact O-CB 3.27Å; Y345-F414 PolarHBondContact O-N 3.29Å; V355-F414 HydrophobicContact CG2-CD1 4.16Å; V355-F414 HydrophobicContact CG2-CE1 3.87Å; V355-F414 HydrophobicContact CG2-CZ 4.18Å; I412-F414 PolarHBondContact O-N 2.56Å; F414-M442 HydrophobicContact CD2-CE 3.95Å; F414-M442 HydrophobicContact CD2-SD 3.86Å; F414-M442 HydrophobicContact CE2-CE 3.95Å; F414-M442 HydrophobicContact CE2-SD 4.44Å
415	S	93.6	Very high	92.5	Very high	6 Å²	6	13.4 Å²	13.4	4%	0.042	7%	0.072	C	C	.	.	S	Bend	trans	-129.5	144.8	163.9	-56.6	0	0	0	0	109.5	Y345 H413 D447	Y345-S415 PolarHBondContact O-N 3.43Å; H413-S415 WeakPolarHBondContact CB-O 3.47Å; H413-S415 PolarHBondContact O-N 3.08Å; S415-D447 WeakPolarHBondContact CA-OD2 3.33Å
416	S	93.9	Very high	93	Very high	6 Å²	6	13 Å²	13	4%	0.042	7%	0.07	C	C	.	.			trans	-61.1	149.5	177.9	-176.9	0	0	0	0	112.1	L451 M468	S416-L451 WeakPolarHBondContact O-CD1 3.2Å; S416-M468 WeakPolarHBondContact OG-CE 3.38Å; S416-M468 WeakPolarHBondContact OG-CG 3.44Å
417	S	93.8	Very high	93.4	Very high	7 Å²	7	10.9 Å²	10.9	5%	0.049	5%	0.053	C	C	.	.			trans	-69.5	162.6	168	-35.3	0	0	0	0	110.4	H413 Y423 E426 M468	H413-S417 PolarHBondContact CD2-OG 2.83Å; S417-Y423 VanDerWaalsContact OG-CA 3.27Å; S417-Y423 WeakPolarHBondContact OG-CA 3.49Å; S417-Y423 WeakPolarHBondContact OG-CB 3.34Å; S417-E426 WeakPolarHBondContact CB-OE2 3.33Å; S417-E426 PolarHBondContact OG-OE2 3.16Å; S417-M468 WeakPolarHBondContact O-CG 3.26Å
418	K	92.4	Very high	93.4	Very high	31 Å²	31	8 Å²	8	14%	0.135	4%	0.038	C	C	.	.	S	Bend	trans	-78.3	-18	-177.9	69.5	176.3	-172.3	165.1	0	114.8	D253 N422 L451 V455 E458 L465	D253-K418 WeakPolarHBondContact OD1-CE 3.29Å; D253-K418 IonicContact OD1-NZ 2.68Å; D253-K418 PolarHBondContact OD1-NZ 3.49Å; K418-N422 VanDerWaalsContact CE-OD1 3.26Å; K418-N422 WeakPolarHBondContact CE-OD1 3.44Å; K418-N422 WeakPolarHBondContact CG-OD1 3.49Å; K418-L451 HydrophobicContact CB-CD2 4.01Å; K418-V455 HydrophobicContact CB-CG1 3.8Å; K418-V455 HydrophobicContact CD-CG1 3.92Å; K418-V455 HydrophobicContact CG-CG1 4.36Å; K418-E458 IonicContact NZ-OE1 3.71Å; K418-E458 PolarHBondContact NZ-OE1 3.15Å; K418-E458 IonicContact NZ-OE2 3.5Å; K418-L465 WeakPolarHBondContact O-CA 3.47Å
419	S	93.4	Very high	93	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.014	4%	0.041	C	C	.	.	S	Bend	trans	-150.2	162.2	178.2	71.5	0	0	0	0	110.2	E421 N422 Y423	S419-E421 VanDerWaalsContact C-N 3.26Å; S419-E421 WeakPolarHBondContact CB-OE2 3.43Å; S419-E421 PolarHBondContact O-N 3.5Å; S419-N422 PolarHBondContact O-N 3.13Å; S419-N422 VanDerWaalsContact OG-CG 3.3Å; S419-N422 PolarHBondContact OG-N 3.48Å; S419-N422 PolarHBondContact OG-OD1 3.04Å; S419-Y423 PolarHBondContact O-N 2.85Å
420	L	92.8	Very high	92.8	Very high	5 Å²	5	6.9 Å²	6.9	3%	0.026	3%	0.033	C	C	.	.	H	α-helix	trans	-67.3	-29.3	174.6	-86.5	170.3	0	0	0	112.3	Y423 Y424 Q467 M468 Y471 I483 N486	L420-Y423 HydrophobicContact CD2-CD1 4.27Å; L420-Y423 PolarHBondContact O-N 3.12Å; L420-Y424 VanDerWaalsContact O-CB 3.24Å; L420-Y424 WeakPolarHBondContact O-CB 3.49Å; L420-Y424 PolarHBondContact O-N 3.1Å; L420-Q467 HydrophobicContact CD1-CB 4.14Å; L420-M468 HydrophobicContact CB-SD 4.46Å; L420-M468 HydrophobicContact CD2-CE 4.47Å; L420-M468 HydrophobicContact CD2-SD 3.53Å; L420-M468 VanDerWaalsContact CD2-SD 3.53Å; L420-M468 HydrophobicContact CG-SD 3.81Å; L420-Y471 HydrophobicContact CD2-CD1 4.21Å; L420-Y471 HydrophobicContact CD2-CD2 3.72Å; L420-Y471 HydrophobicContact CD2-CE2 4.45Å; L420-Y471 HydrophobicContact CD2-CG 3.59Å; L420-I483 HydrophobicContact CD2-CG1 4.28Å; L420-N486 HydrophobicContact CB-CB 4.25Å; L420-N486 WeakPolarHBondContact CB-ND2 3.47Å; L420-N486 HydrophobicContact CD1-CB 3.66Å
421	E	89.2	Confident	92.5	Very high	9 Å²	9	6.9 Å²	6.9	4%	0.042	3%	0.033	C	C	.	.	H	α-helix	trans	-65.1	-46.6	174.7	-61.8	94.8	135.6	0	0	111.2	T279 S419 Y424 Q425 K464 N486 L487	T279-E421 HydrophobicContact CG2-CB 3.92Å; T279-E421 HydrophobicContact CG2-CG 4.36Å; S419-E421 VanDerWaalsContact C-N 3.26Å; S419-E421 WeakPolarHBondContact CB-OE2 3.43Å; S419-E421 PolarHBondContact O-N 3.5Å; E421-Y424 PolarHBondContact O-N 3.37Å; E421-Q425 WeakPolarHBondContact O-CG 3.4Å; E421-Q425 PolarHBondContact O-N 3.33Å; E421-K464 IonicContact OE1-NZ 3.37Å; E421-K464 PolarHBondContact OE1-NZ 2.8Å; E421-N486 PolarHBondContact OE2-ND2 3.41Å; E421-L487 HydrophobicContact CB-CD2 4.49Å; E421-L487 HydrophobicContact CG-CD2 3.81Å
422	N	89.8	Confident	92	Very high	8 Å²	8	8.2 Å²	8.2	4%	0.043	4%	0.038	C	C	.	.	H	α-helix	trans	-64	-45.4	174.6	-64.4	119	0	0	0	110.8	D253 K418 S419 Y424 Q425 E426	D253-N422 PolarHBondContact OD2-ND2 3.49Å; K418-N422 VanDerWaalsContact CE-OD1 3.26Å; K418-N422 WeakPolarHBondContact CE-OD1 3.44Å; K418-N422 WeakPolarHBondContact CG-OD1 3.49Å; S419-N422 PolarHBondContact O-N 3.13Å; S419-N422 VanDerWaalsContact OG-CG 3.3Å; S419-N422 PolarHBondContact OG-N 3.48Å; S419-N422 PolarHBondContact OG-OD1 3.04Å; N422-Y424 VanDerWaalsContact C-N 3.31Å; N422-Y424 PolarHBondContact O-N 3.28Å; N422-Q425 PolarHBondContact O-N 3.02Å; N422-Q425 VanDerWaalsContact O-N 3.15Å; N422-E426 WeakPolarHBondContact O-CB 3.12Å; N422-E426 VanDerWaalsContact O-CG 3.25Å; N422-E426 WeakPolarHBondContact O-CG 3.36Å; N422-E426 PolarHBondContact O-N 3.1Å
423	Y	93.8	Very high	91.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.1	-44.3	176.7	177.7	-112.8	0	0	0	112.1	Y313 H413 S417 S419 L420 Q425 E426 S427 L441 M468 Y471 I483	Y313-Y423 AromaticContact CD1-CE1 3.88Å; Y313-Y423 HydrophobicContact CD1-CE1 3.88Å; Y313-Y423 WeakPolarHBondContact CD1-OH 3.19Å; Y313-Y423 AromaticContact CE1-CE1 3.81Å; Y313-Y423 HydrophobicContact CE1-CE1 3.81Å; H413-Y423 AromaticContact CD2-CD2 3.83Å; H413-Y423 AromaticContact CE1-CD2 3.61Å; H413-Y423 AromaticContact CE1-CE2 3.46Å; H413-Y423 VanDerWaalsContact CE1-CE2 3.46Å; H413-Y423 WeakPolarHBondContact CE1-CE2 3.3Å; H413-Y423 AromaticContact CG-CE2 3.9Å; H413-Y423 AromaticContact ND1-CD2 3.93Å; H413-Y423 AromaticContact ND1-CE2 3.47Å; H413-Y423 WeakPolarHBondContact ND1-CE2 3.43Å; H413-Y423 AromaticContact NE2-CD2 3.55Å; H413-Y423 AromaticContact NE2-CE2 3.89Å; S417-Y423 VanDerWaalsContact OG-CA 3.27Å; S417-Y423 WeakPolarHBondContact OG-CA 3.49Å; S417-Y423 WeakPolarHBondContact OG-CB 3.34Å; S419-Y423 PolarHBondContact O-N 2.85Å; L420-Y423 HydrophobicContact CD2-CD1 4.27Å; L420-Y423 PolarHBondContact O-N 3.12Å; Y423-Q425 PolarHBondContact O-N 2.96Å; Y423-E426 PolarHBondContact O-N 3.17Å; Y423-S427 VanDerWaalsContact O-CB 3.24Å; Y423-S427 WeakPolarHBondContact O-CB 3.4Å; Y423-S427 PolarHBondContact O-N 3.2Å; Y423-S427 PolarHBondContact O-OG 3.41Å; Y423-S427 VanDerWaalsContact O-OG 3.08Å; Y423-L441 HydrophobicContact CD2-CD1 4.01Å; Y423-L441 HydrophobicContact CE2-CB 4.15Å; Y423-L441 HydrophobicContact CE2-CD1 3.7Å; Y423-L441 HydrophobicContact CE2-CG 4.45Å; Y423-M468 HydrophobicContact CD1-CE 4.08Å; Y423-M468 HydrophobicContact CD1-SD 4.48Å; Y423-M468 HydrophobicContact CD2-CE 3.97Å; Y423-M468 HydrophobicContact CE2-CE 4.48Å; Y423-M468 HydrophobicContact CG-CE 3.73Å; Y423-M468 HydrophobicContact CG-SD 4.16Å; Y423-Y471 HydrophobicContact CD1-CE1 4.28Å; Y423-Y471 AromaticContact CE1-CE1 3.63Å; Y423-Y471 HydrophobicContact CE1-CE1 3.63Å; Y423-Y471 HydrophobicContact CE1-CE2 4.28Å; Y423-Y471 AromaticContact CE1-CZ 3.5Å; Y423-Y471 WeakPolarHBondContact CE1-OH 3.47Å; Y423-Y471 AromaticContact CZ-CE1 3.94Å; Y423-Y471 PolarHBondContact OH-OH 3.3Å; Y423-I483 HydrophobicContact CD1-CD1 4.48Å; Y423-I483 HydrophobicContact CE1-CD1 4.17Å
424	Y	91	Very high	90.8	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-41.9	177.2	178.2	-104.3	0	0	0	112.6	P115 T279 Y306 L420 E421 N422 S427 G428 I483 L487	P115-Y424 HydrophobicContact CB-CE1 3.99Å; P115-Y424 WeakPolarHBondContact CB-OH 3.29Å; T279-Y424 HydrophobicContact CG2-CD1 4.14Å; Y306-Y424 VanDerWaalsContact CA-OH 3.3Å; Y306-Y424 WeakPolarHBondContact CA-OH 3.1Å; Y306-Y424 WeakPolarHBondContact CB-OH 3.29Å; Y306-Y424 AromaticContact CD1-CE1 3.78Å; Y306-Y424 HydrophobicContact CD1-CE1 3.78Å; Y306-Y424 AromaticContact CD1-CZ 3.91Å; Y306-Y424 WeakPolarHBondContact O-CE2 3.02Å; Y306-Y424 PolarHBondContact O-OH 2.86Å; L420-Y424 VanDerWaalsContact O-CB 3.24Å; L420-Y424 WeakPolarHBondContact O-CB 3.49Å; L420-Y424 PolarHBondContact O-N 3.1Å; E421-Y424 PolarHBondContact O-N 3.37Å; N422-Y424 VanDerWaalsContact C-N 3.31Å; N422-Y424 PolarHBondContact O-N 3.28Å; Y424-S427 PolarHBondContact O-OG 3.01Å; Y424-G428 PolarHBondContact O-N 3.3Å; Y424-I483 HydrophobicContact CD2-CG2 3.53Å; Y424-I483 HydrophobicContact CE2-CG2 4.11Å; Y424-I483 HydrophobicContact CG-CG2 4.25Å; Y424-L487 HydrophobicContact CD1-CD1 3.73Å; Y424-L487 HydrophobicContact CD2-CD1 3.84Å; Y424-L487 HydrophobicContact CE1-CD1 4.02Å; Y424-L487 HydrophobicContact CE2-CD1 4.09Å; Y424-L487 HydrophobicContact CG-CD1 3.63Å
425	Q	87.6	Confident	90.6	Very high	26 Å²	26	18.3 Å²	18.3	12%	0.121	10%	0.099	C	C	.	.	H	α-helix	trans	-67.4	-39.8	177.5	-69.4	-177	10.1	0	0	112.1	T116 H252 A278 T279 E421 N422 Y423	T116-Q425 WeakPolarHBondContact CG2-O 3.2Å; T116-Q425 WeakPolarHBondContact OG1-CA 3.31Å; H252-Q425 PolarHBondContact NE2-NE2 3.45Å; A278-Q425 HydrophobicContact CB-CG 4Å; T279-Q425 HydrophobicContact CG2-CG 3.88Å; T279-Q425 PolarHBondContact OG1-NE2 3.4Å; E421-Q425 WeakPolarHBondContact O-CG 3.4Å; E421-Q425 PolarHBondContact O-N 3.33Å; N422-Q425 PolarHBondContact O-N 3.02Å; N422-Q425 VanDerWaalsContact O-N 3.15Å; Y423-Q425 PolarHBondContact O-N 2.96Å
426	E	90.6	Very high	90.7	Very high	11 Å²	11	21.3 Å²	21.3	5%	0.051	12%	0.12	C	C	.	.	H	α-helix	trans	-69.5	-47.4	179.7	-72.8	161.5	-162.1	0	0	111.7	Y345 V397 H413 S417 N422 Y423 R429	Y345-E426 HydrophobicContact CD2-CB 3.96Å; Y345-E426 HydrophobicContact CD2-CG 4.33Å; Y345-E426 HydrophobicContact CE1-CG 4.49Å; Y345-E426 HydrophobicContact CE2-CB 3.61Å; Y345-E426 HydrophobicContact CE2-CG 4Å; V397-E426 WeakPolarHBondContact CG2-OE1 3.41Å; H413-E426 IonicContact CD2-OE2 2.97Å; H413-E426 PolarHBondContact CD2-OE2 2.95Å; H413-E426 VanDerWaalsContact CD2-OE2 3.29Å; H413-E426 VanDerWaalsContact NE2-CB 3.28Å; H413-E426 WeakPolarHBondContact NE2-CB 3.31Å; H413-E426 IonicContact NE2-OE2 3.3Å; H413-E426 PolarHBondContact NE2-OE2 3.31Å; S417-E426 WeakPolarHBondContact CB-OE2 3.33Å; S417-E426 PolarHBondContact OG-OE2 3.16Å; N422-E426 WeakPolarHBondContact O-CB 3.12Å; N422-E426 VanDerWaalsContact O-CG 3.25Å; N422-E426 WeakPolarHBondContact O-CG 3.36Å; N422-E426 PolarHBondContact O-N 3.1Å; Y423-E426 PolarHBondContact O-N 3.17Å; E426-R429 WeakPolarHBondContact O-CB 3.3Å; E426-R429 VanDerWaalsContact O-CG 3.3Å; E426-R429 WeakPolarHBondContact O-CG 3.45Å; E426-R429 PolarHBondContact O-N 3.48Å
427	S	92.8	Very high	90.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-36.2	177.2	73.3	0	0	0	0	112.3	Y313 Y423 Y424 R429 A430 C439	Y313-S427 PolarHBondContact OH-OG 2.79Å; Y423-S427 VanDerWaalsContact O-CB 3.24Å; Y423-S427 WeakPolarHBondContact O-CB 3.4Å; Y423-S427 PolarHBondContact O-N 3.2Å; Y423-S427 PolarHBondContact O-OG 3.41Å; Y423-S427 VanDerWaalsContact O-OG 3.08Å; Y424-S427 PolarHBondContact O-OG 3.01Å; S427-R429 PolarHBondContact O-N 3.01Å; S427-A430 PolarHBondContact O-N 3.28Å; S427-A430 VanDerWaalsContact O-N 3.13Å; S427-C439 PolarHBondContact O-SG 2.86Å
428	G	88.9	Confident	91	Very high	1 Å²	1	21 Å²	21	1%	0.01	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	3.3	178.7	0	0	0	0	0	115.7	Y424	Y424-G428 PolarHBondContact O-N 3.3Å
429	R	86.7	Confident	91.2	Very high	21 Å²	21	19.5 Å²	19.5	8%	0.079	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-24.3	173.1	-62.3	-174.6	-178.8	-66	-14	113.6	T116 I343 Y345 G400 V411 E426 S427	T116-R429 HydrophobicContact CG2-CG 4.44Å; I343-R429 HydrophobicContact CD1-CB 3.99Å; Y345-R429 WeakPolarHBondContact OH-CD 3.5Å; Y345-R429 PolarHBondContact OH-NE 3.43Å; G400-R429 VanDerWaalsContact CA-NE 3.34Å; G400-R429 PolarHBondContact O-NH1 2.81Å; G400-R429 PolarHBondContact O-NH2 2.93Å; V411-R429 HydrophobicContact CG2-CB 4.16Å; E426-R429 WeakPolarHBondContact O-CB 3.3Å; E426-R429 VanDerWaalsContact O-CG 3.3Å; E426-R429 WeakPolarHBondContact O-CG 3.45Å; E426-R429 PolarHBondContact O-N 3.48Å; S427-R429 PolarHBondContact O-N 3.01Å
430	A	91.4	Very high	91.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-68.4	150.6	173.7	0	0	0	0	0	110.6	L311 V408 V411 S427 R432 A437	L311-A430 HydrophobicContact CD2-CB 3.71Å; L311-A430 WeakPolarHBondContact CD2-O 3.18Å; V408-A430 WeakPolarHBondContact O-CA 3.15Å; V411-A430 HydrophobicContact CG2-CB 3.77Å; S427-A430 PolarHBondContact O-N 3.28Å; S427-A430 VanDerWaalsContact O-N 3.13Å; A430-R432 PolarHBondContact O-N 3.11Å; A430-A437 HydrophobicContact CB-CB 3.53Å
431	G	90.9	Very high	91.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.			trans	57.5	42.2	166.8	0	0	0	0	0	114.9	R308 N310 V408 D433 S434 N435	R308-G431 PolarHBondContact NH2-O 3.01Å; N310-G431 WeakPolarHBondContact ND2-CA 3.46Å; N310-G431 PolarHBondContact ND2-O 3.5Å; V408-G431 PolarHBondContact O-N 2.89Å; G431-D433 PolarHBondContact O-N 3.42Å; G431-S434 PolarHBondContact O-N 3.25Å; G431-S434 VanDerWaalsContact O-N 3.09Å; G431-N435 WeakPolarHBondContact CA-O 3.43Å
432	R	86.1	Confident	92.1	Very high	28 Å²	28	18.7 Å²	18.7	11%	0.106	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.8	-179.8	-84.7	-173.8	179.5	-175.8	7.6	113.5	G117 I403 D404 A406 A430 S434	G117-R432 VanDerWaalsContact CA-NE 3.29Å; I403-R432 PolarHBondContact O-NH1 3.09Å; D404-R432 IonicContact OD1-CZ 3.76Å; D404-R432 IonicContact OD1-NH1 2.63Å; D404-R432 PolarHBondContact OD1-NH1 2.71Å; A406-R432 HydrophobicContact CB-CB 4.47Å; A406-R432 PolarHBondContact O-N 3.01Å; A430-R432 PolarHBondContact O-N 3.11Å; R432-S434 PolarHBondContact O-N 3.07Å
433	D	86.2	Confident	92.4	Very high	51 Å²	51	19.2 Å²	19.2	27%	0.273	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	11	166.9	62.2	-6.1	0	0	0	113.7	A406 R409 G431 N435	A406-D433 HydrophobicContact CB-CB 4.14Å; A406-D433 PolarHBondContact O-N 3.42Å; A406-D433 VanDerWaalsContact O-N 3.1Å; R409-D433 IonicContact CZ-OD1 2.78Å; R409-D433 IonicContact CZ-OD2 3.65Å; R409-D433 VanDerWaalsContact CZ-OD2 3.3Å; R409-D433 IonicContact NH1-OD1 2.9Å; R409-D433 IonicContact NH1-OD2 3.82Å; R409-D433 PolarHBondContact NH1-OD2 2.95Å; R409-D433 IonicContact NH2-OD1 3.53Å; R409-D433 PolarHBondContact NH2-OD1 3.15Å; R409-D433 IonicContact NH2-OD2 3.93Å; R409-D433 PolarHBondContact NH2-OD2 2.94Å; G431-D433 PolarHBondContact O-N 3.42Å; D433-N435 VanDerWaalsContact CG-ND2 3.26Å; D433-N435 PolarHBondContact O-N 2.63Å; D433-N435 WeakPolarHBondContact OD1-CB 3.14Å; D433-N435 PolarHBondContact OD1-N 3.03Å; D433-N435 VanDerWaalsContact OD1-N 3.11Å; D433-N435 PolarHBondContact OD2-ND2 3.33Å
434	S	86	Confident	92.3	Very high	86 Å²	86	20.1 Å²	20.1	60%	0.601	11%	0.112	S	C	*	.	S	Bend	trans	64.8	2.2	-176.2	-56.5	0	0	0	0	115.2	N310 G431 R432	N310-S434 WeakPolarHBondContact CB-O 3.23Å; G431-S434 PolarHBondContact O-N 3.25Å; G431-S434 VanDerWaalsContact O-N 3.09Å; R432-S434 PolarHBondContact O-N 3.07Å
435	N	92	Very high	92.5	Very high	82 Å²	82	20.2 Å²	20.2	44%	0.439	11%	0.113	S	C	.	.	S	Bend	trans	-76	157.5	172.8	-68.1	-43.8	0	0	0	111.2	N310 G431 D433 A437	N310-N435 PolarHBondContact ND2-O 3.26Å; G431-N435 WeakPolarHBondContact CA-O 3.43Å; D433-N435 VanDerWaalsContact CG-ND2 3.26Å; D433-N435 PolarHBondContact O-N 2.63Å; D433-N435 WeakPolarHBondContact OD1-CB 3.14Å; D433-N435 PolarHBondContact OD1-N 3.03Å; D433-N435 VanDerWaalsContact OD1-N 3.11Å; D433-N435 PolarHBondContact OD2-ND2 3.33Å; N435-A437 PolarHBondContact O-N 3.42Å
436	S	94.9	Very high	92.7	Very high	69 Å²	69	21.2 Å²	21.2	48%	0.483	12%	0.122	S	C	.	.			trans	-58	133	180	-172.5	0	0	0	0	111.9	N310 N312	N310-S436 CarbonylContact O-C 3.51Å; N310-S436 VanDerWaalsContact O-CA 3.29Å; N310-S436 WeakPolarHBondContact O-CA 3.31Å; N312-S436 PolarHBondContact ND2-OG 3.5Å; N312-S436 VanDerWaalsContact ND2-OG 3.14Å
437	A	96.7	Very high	92.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	151.9	177.7	0	0	0	0	0	111.8	N310 L311 N312 R409 A430 N435	N310-A437 PolarHBondContact O-N 3.27Å; L311-A437 WeakPolarHBondContact CA-O 3.41Å; L311-A437 HydrophobicContact CD2-CB 3.92Å; N312-A437 PolarHBondContact N-O 2.82Å; R409-A437 CarbonylContact O-C 3.59Å; R409-A437 VanDerWaalsContact O-CA 3.29Å; R409-A437 WeakPolarHBondContact O-CA 3.43Å; R409-A437 WeakPolarHBondContact O-CB 3.45Å; A430-A437 HydrophobicContact CB-CB 3.53Å; N435-A437 PolarHBondContact O-N 3.42Å
438	D	97.9	Very high	92.9	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.027	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.5	-170.7	-57.5	-37.9	0	0	0	112.4	N312 Y314 Y337 R409 F410 V411 I440 V636	N312-D438 WeakPolarHBondContact CB-OD1 3.37Å; N312-D438 PolarHBondContact ND2-OD1 2.93Å; Y314-D438 HydrophobicContact CD2-CB 4.46Å; Y314-D438 HydrophobicContact CE2-CB 4.19Å; Y337-D438 HydrophobicContact CE1-CB 4.4Å; Y337-D438 VanDerWaalsContact CE1-OD2 3.27Å; Y337-D438 WeakPolarHBondContact CE1-OD2 3.47Å; Y337-D438 VanDerWaalsContact OH-CB 3.25Å; Y337-D438 WeakPolarHBondContact OH-CB 3.46Å; Y337-D438 PolarHBondContact OH-OD2 3.05Å; R409-D438 PolarHBondContact O-N 3.43Å; F410-D438 CarbonylContact C-O 3.6Å; F410-D438 WeakPolarHBondContact CA-O 3.39Å; V411-D438 PolarHBondContact N-O 2.86Å; D438-I440 HydrophobicContact CB-CD1 4.49Å; D438-I440 HydrophobicContact CB-CG1 4.35Å; D438-V636 WeakPolarHBondContact OD2-CG1 3.27Å
439	C	97.5	Very high	93.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	104.5	175.7	-59.6	0	0	0	0	108.1	N312 Y313 Y314 V411 S427	N312-C439 PolarHBondContact O-N 2.85Å; Y313-C439 WeakPolarHBondContact CA-O 3.37Å; Y313-C439 HydrophobicContact CD1-CB 3.78Å; Y313-C439 HydrophobicContact CE1-CB 3.81Å; Y313-C439 HydrophobicContact CG-CB 4.36Å; Y314-C439 PolarHBondContact N-O 3.47Å; V411-C439 CarbonylContact O-C 3.58Å; V411-C439 WeakPolarHBondContact O-CA 3.49Å; S427-C439 PolarHBondContact O-SG 2.86Å
440	I	98.2	Very high	93.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129	-174	-54.6	175.2	0	0	0	108.6	Y314 L332 Y337 V411 I412 H413 D438 F634 V636	Y314-I440 HydrophobicContact CD2-CG1 4.05Å; Y314-I440 CarbonylContact O-C 3.6Å; Y314-I440 WeakPolarHBondContact O-CA 3.22Å; L332-I440 HydrophobicContact CD1-CD1 4.33Å; L332-I440 HydrophobicContact CD2-CD1 3.86Å; Y337-I440 HydrophobicContact CE2-CD1 4.25Å; Y337-I440 WeakPolarHBondContact OH-CD1 3.21Å; V411-I440 PolarHBondContact O-N 2.81Å; I412-I440 CarbonylContact C-O 3.58Å; I412-I440 VanDerWaalsContact CA-O 3.26Å; I412-I440 WeakPolarHBondContact CA-O 3.34Å; I412-I440 HydrophobicContact CG1-CB 4.15Å; I412-I440 HydrophobicContact CG1-CD1 4.42Å; H413-I440 PolarHBondContact N-O 2.77Å; D438-I440 HydrophobicContact CB-CD1 4.49Å; D438-I440 HydrophobicContact CB-CG1 4.35Å; I440-F634 HydrophobicContact CD1-CE1 4.34Å; I440-V636 HydrophobicContact CD1-CG2 4.29Å
441	L	98	Very high	93.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.3	172.9	-173	156.1	0	0	0	109.5	Y314 V315 K316 H413 Y423 W443 M468 Y471	Y314-L441 PolarHBondContact O-N 2.83Å; V315-L441 WeakPolarHBondContact CA-O 3.02Å; V315-L441 HydrophobicContact CG1-CD2 4.13Å; V315-L441 HydrophobicContact CG2-CB 4.45Å; K316-L441 PolarHBondContact N-O 3.34Å; H413-L441 HydrophobicContact CB-CB 4.34Å; H413-L441 HydrophobicContact CB-CG 4.11Å; Y423-L441 HydrophobicContact CD2-CD1 4.01Å; Y423-L441 HydrophobicContact CE2-CB 4.15Å; Y423-L441 HydrophobicContact CE2-CD1 3.7Å; Y423-L441 HydrophobicContact CE2-CG 4.45Å; L441-W443 HydrophobicContact CD2-CB 3.67Å; L441-W443 HydrophobicContact CD2-CE3 4.28Å; L441-W443 PolarHBondContact O-N 2.81Å; L441-M468 HydrophobicContact CD1-CE 3.18Å; L441-Y471 HydrophobicContact CD1-CE1 4.47Å
442	M	97.1	Very high	93.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	96.9	173.2	-67.8	175.8	63.6	0	0	108.8	K316 V318 Y328 L329 I412 H413 F414	K316-M442 CarbonylContact O-C 3.58Å; K316-M442 WeakPolarHBondContact O-CA 3.44Å; V318-M442 HydrophobicContact CG1-CE 4.4Å; V318-M442 HydrophobicContact CG2-CB 3.91Å; V318-M442 HydrophobicContact CG2-CE 3.9Å; V318-M442 HydrophobicContact CG2-CG 4.16Å; Y328-M442 HydrophobicContact CD1-CE 3.69Å; Y328-M442 HydrophobicContact CD1-SD 4.26Å; Y328-M442 HydrophobicContact CE1-CE 4.31Å; Y328-M442 HydrophobicContact CE1-SD 4.47Å; L329-M442 HydrophobicContact CB-SD 4.42Å; L329-M442 HydrophobicContact CD1-SD 4.3Å; I412-M442 HydrophobicContact CG2-CG 4.32Å; I412-M442 HydrophobicContact CG2-SD 4.03Å; H413-M442 PolarHBondContact O-N 3.2Å; F414-M442 HydrophobicContact CD2-CE 3.95Å; F414-M442 HydrophobicContact CD2-SD 3.86Å; F414-M442 HydrophobicContact CE2-CE 3.95Å; F414-M442 HydrophobicContact CE2-SD 4.44Å
443	W	95.5	Very high	94.2	Very high	18 Å²	18	24.5 Å²	24.5	7%	0.068	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122	-173.5	175.2	-115.6	0	0	0	111	V315 K316 V318 L441 L448 V469 C472	V315-W443 HydrophobicContact CG1-CB 3.89Å; K316-W443 PolarHBondContact O-N 3.49Å; V318-W443 PolarHBondContact N-O 2.77Å; L441-W443 HydrophobicContact CD2-CB 3.67Å; L441-W443 HydrophobicContact CD2-CE3 4.28Å; L441-W443 PolarHBondContact O-N 2.81Å; W443-L448 HydrophobicContact CH2-CB 3.99Å; W443-L448 HydrophobicContact CZ2-CB 4.42Å; W443-V469 HydrophobicContact CH2-CG1 4.38Å; W443-V469 HydrophobicContact CH2-CG2 3.91Å; W443-V469 HydrophobicContact CZ2-CG1 4.2Å; W443-C472 HydrophobicContact CB-CB 4.32Å; W443-C472 HydrophobicContact CD2-CB 3.53Å; W443-C472 HydrophobicContact CE3-CB 3.71Å; W443-C472 HydrophobicContact CG-CB 3.8Å; W443-C472 HydrophobicContact CZ3-CB 4.29Å
444	R	93.5	Very high	94.4	Very high	20 Å²	20	27.4 Å²	27.4	8%	0.075	15%	0.152	C	C	.	.			trans	-120.7	130.8	174.1	-73.1	169.7	145.9	-111.5	-13.8	109.2	V318 G320 S321 S325 S446 D447	V318-R444 HydrophobicContact CB-CG 4.35Å; V318-R444 WeakPolarHBondContact O-CG 3.48Å; G320-R444 PolarHBondContact O-NH2 2.83Å; S321-R444 PolarHBondContact O-NH2 3.07Å; S325-R444 VanDerWaalsContact OG-CZ 3.31Å; S325-R444 PolarHBondContact OG-NE 3.39Å; S325-R444 VanDerWaalsContact OG-NE 3.15Å; S325-R444 PolarHBondContact OG-NH2 2.73Å; R444-S446 PolarHBondContact O-N 3.48Å; R444-S446 VanDerWaalsContact O-N 3.14Å; R444-D447 WeakPolarHBondContact O-CB 3.36Å; R444-D447 PolarHBondContact O-N 3.12Å
445	F	93.9	Very high	94.7	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-55.2	-35.5	178.8	178.5	-111	0	0	0	113.4	D447 L448 F449 I550 E580 I583 S584	F445-D447 PolarHBondContact O-N 3.19Å; F445-L448 WeakPolarHBondContact O-CB 3.27Å; F445-L448 PolarHBondContact O-N 3.22Å; F445-F449 AromaticContact CD1-CE2 3.99Å; F445-F449 HydrophobicContact CD1-CE2 3.99Å; F445-F449 HydrophobicContact CD2-CE2 4.35Å; F445-F449 HydrophobicContact CE1-CD2 4.43Å; F445-F449 AromaticContact CE1-CE2 3.44Å; F445-F449 HydrophobicContact CE1-CE2 3.44Å; F445-F449 VanDerWaalsContact CE1-CE2 3.44Å; F445-F449 HydrophobicContact CE1-CZ 4.03Å; F445-F449 AromaticContact CE2-CE2 3.85Å; F445-F449 HydrophobicContact CE2-CE2 3.85Å; F445-F449 HydrophobicContact CE2-CZ 4.18Å; F445-F449 HydrophobicContact CG-CE2 4.42Å; F445-F449 AromaticContact CZ-CE2 3.37Å; F445-F449 HydrophobicContact CZ-CE2 3.37Å; F445-F449 AromaticContact CZ-CZ 3.61Å; F445-F449 HydrophobicContact CZ-CZ 3.61Å; F445-I550 HydrophobicContact CD1-CG1 3.98Å; F445-I550 HydrophobicContact CE1-CD1 3.98Å; F445-I550 HydrophobicContact CE1-CG1 3.38Å; F445-I550 HydrophobicContact CZ-CD1 3.96Å; F445-I550 HydrophobicContact CZ-CG1 3.87Å; F445-E580 HydrophobicContact CB-CB 3.81Å; F445-E580 HydrophobicContact CB-CG 3.68Å; F445-E580 HydrophobicContact CD1-CB 4.43Å; F445-E580 HydrophobicContact CD1-CG 3.85Å; F445-E580 HydrophobicContact CD2-CB 3.83Å; F445-E580 HydrophobicContact CD2-CG 4.17Å; F445-E580 WeakPolarHBondContact CD2-O 3.38Å; F445-E580 WeakPolarHBondContact CE2-O 3.39Å; F445-E580 HydrophobicContact CG-CB 3.77Å; F445-E580 HydrophobicContact CG-CG 3.63Å; F445-I583 HydrophobicContact CE2-CB 4.04Å; F445-I583 HydrophobicContact CE2-CG2 3.95Å; F445-I583 HydrophobicContact CZ-CB 4.03Å; F445-I583 HydrophobicContact CZ-CG2 3.73Å; F445-S584 WeakPolarHBondContact CD2-OG 3.44Å
446	S	92	Very high	94.6	Very high	46 Å²	46	20.7 Å²	20.7	32%	0.322	11%	0.112	S	C	.	.	H	α-helix	trans	-60.8	-28.1	177.1	56.5	0	0	0	0	113.9	R444 L448 F449 R450	R444-S446 PolarHBondContact O-N 3.48Å; R444-S446 VanDerWaalsContact O-N 3.14Å; S446-L448 VanDerWaalsContact C-N 3.27Å; S446-L448 PolarHBondContact O-N 3.37Å; S446-F449 PolarHBondContact O-N 2.89Å; S446-R450 PolarHBondContact O-N 3.1Å
447	D	93	Very high	94.2	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	12%	0.124	C	C	.	.	H	α-helix	trans	-68.1	-31.3	-177.1	-69.1	-10.8	0	0	0	111.4	S415 R444 F445 F449 R450 L451	S415-D447 WeakPolarHBondContact CA-OD2 3.33Å; R444-D447 WeakPolarHBondContact O-CB 3.36Å; R444-D447 PolarHBondContact O-N 3.12Å; F445-D447 PolarHBondContact O-N 3.19Å; D447-F449 VanDerWaalsContact C-N 3.28Å; D447-F449 PolarHBondContact O-N 3.17Å; D447-R450 PolarHBondContact O-N 2.73Å; D447-R450 IonicContact OD1-NH1 3.86Å; D447-L451 HydrophobicContact CB-CD1 4.43Å; D447-L451 WeakPolarHBondContact O-CB 3.36Å; D447-L451 WeakPolarHBondContact O-CD1 3.36Å; D447-L451 VanDerWaalsContact O-CG 3.23Å; D447-L451 WeakPolarHBondContact O-CG 3.45Å; D447-L451 PolarHBondContact O-N 3.05Å
448	L	95.5	Very high	93.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-50.4	-50.4	173.1	-172.2	162.1	0	0	0	110.7	W443 F445 S446 A452 V469 L587 L594	W443-L448 HydrophobicContact CH2-CB 3.99Å; W443-L448 HydrophobicContact CZ2-CB 4.42Å; F445-L448 WeakPolarHBondContact O-CB 3.27Å; F445-L448 PolarHBondContact O-N 3.22Å; S446-L448 VanDerWaalsContact C-N 3.27Å; S446-L448 PolarHBondContact O-N 3.37Å; L448-A452 WeakPolarHBondContact O-CB 3.48Å; L448-A452 PolarHBondContact O-N 3.28Å; L448-V469 HydrophobicContact CD1-CG1 3.93Å; L448-V469 HydrophobicContact CD1-CG2 3.87Å; L448-V469 HydrophobicContact CG-CG2 3.89Å; L448-L587 HydrophobicContact CD1-CD1 4Å; L448-L587 HydrophobicContact CD2-CD1 4.09Å; L448-L594 HydrophobicContact CD2-CD1 4.29Å
449	F	95	Very high	93.1	Very high	15 Å²	15	33 Å²	33	7%	0.066	17%	0.166	C	C	.	.	H	α-helix	trans	-73.6	-36.7	-175.2	-58.9	-83.9	0	0	0	112.3	F445 S446 D447 A452 S453 L587 L594 C605 V607	F445-F449 AromaticContact CD1-CE2 3.99Å; F445-F449 HydrophobicContact CD1-CE2 3.99Å; F445-F449 HydrophobicContact CD2-CE2 4.35Å; F445-F449 HydrophobicContact CE1-CD2 4.43Å; F445-F449 AromaticContact CE1-CE2 3.44Å; F445-F449 HydrophobicContact CE1-CE2 3.44Å; F445-F449 VanDerWaalsContact CE1-CE2 3.44Å; F445-F449 HydrophobicContact CE1-CZ 4.03Å; F445-F449 AromaticContact CE2-CE2 3.85Å; F445-F449 HydrophobicContact CE2-CE2 3.85Å; F445-F449 HydrophobicContact CE2-CZ 4.18Å; F445-F449 HydrophobicContact CG-CE2 4.42Å; F445-F449 AromaticContact CZ-CE2 3.37Å; F445-F449 HydrophobicContact CZ-CE2 3.37Å; F445-F449 AromaticContact CZ-CZ 3.61Å; F445-F449 HydrophobicContact CZ-CZ 3.61Å; S446-F449 PolarHBondContact O-N 2.89Å; D447-F449 VanDerWaalsContact C-N 3.28Å; D447-F449 PolarHBondContact O-N 3.17Å; F449-A452 PolarHBondContact O-N 3.43Å; F449-S453 PolarHBondContact O-N 2.61Å; F449-S453 PolarHBondContact O-OG 3.06Å; F449-L587 HydrophobicContact CZ-CD1 4.29Å; F449-L594 HydrophobicContact CD1-CD2 4.34Å; F449-L594 HydrophobicContact CE1-CD2 3.89Å; F449-C605 HydrophobicContact CB-CB 4.46Å; F449-C605 HydrophobicContact CD1-CB 4.31Å; F449-V607 HydrophobicContact CE1-CG2 3.66Å; F449-V607 HydrophobicContact CZ-CG2 4.08Å
450	R	92.6	Very high	92.7	Very high	81 Å²	81	34.2 Å²	34.2	31%	0.306	17%	0.173	S	C	.	.	H	α-helix	trans	-62.9	-45.6	175.2	-66	173.4	73.7	-170.2	11.7	111	F347 D351 S446 D447 M454	F347-R450 HydrophobicContact CD2-CB 4.22Å; F347-R450 HydrophobicContact CE1-CB 4.34Å; F347-R450 HydrophobicContact CE2-CB 3.68Å; F347-R450 HydrophobicContact CZ-CB 3.75Å; D351-R450 IonicContact OD1-NH2 2.88Å; D351-R450 IonicContact OD2-CZ 3.83Å; D351-R450 IonicContact OD2-NH1 2.8Å; D351-R450 IonicContact OD2-NH2 3.05Å; D351-R450 PolarHBondContact OD2-NH2 3.17Å; S446-R450 PolarHBondContact O-N 3.1Å; D447-R450 PolarHBondContact O-N 2.73Å; D447-R450 IonicContact OD1-NH1 3.86Å; R450-M454 PolarHBondContact O-N 3.42Å
451	L	94.7	Very high	92.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-68.1	-40.9	176.5	-66.8	165.9	0	0	0	111.2	F347 S416 K418 D447 S453 M454 V455 L465	F347-L451 HydrophobicContact CD2-CD2 3.94Å; F347-L451 HydrophobicContact CD2-CG 4.39Å; F347-L451 HydrophobicContact CE2-CD2 3.88Å; F347-L451 HydrophobicContact CE2-CG 4.25Å; S416-L451 WeakPolarHBondContact O-CD1 3.2Å; K418-L451 HydrophobicContact CB-CD2 4.01Å; D447-L451 HydrophobicContact CB-CD1 4.43Å; D447-L451 WeakPolarHBondContact O-CB 3.36Å; D447-L451 WeakPolarHBondContact O-CD1 3.36Å; D447-L451 VanDerWaalsContact O-CG 3.23Å; D447-L451 WeakPolarHBondContact O-CG 3.45Å; D447-L451 PolarHBondContact O-N 3.05Å; L451-S453 VanDerWaalsContact C-N 3.34Å; L451-S453 PolarHBondContact O-N 3.1Å; L451-M454 WeakPolarHBondContact O-CA 3.4Å; L451-M454 WeakPolarHBondContact O-CB 3.4Å; L451-M454 PolarHBondContact O-N 3.09Å; L451-V455 WeakPolarHBondContact O-CG2 3.47Å; L451-V455 PolarHBondContact O-N 3.49Å; L451-L465 HydrophobicContact CB-CD1 3.62Å; L451-L465 HydrophobicContact CB-CD2 4.02Å; L451-L465 HydrophobicContact CB-CG 4.49Å; L451-L465 HydrophobicContact CD1-CD1 3.87Å; L451-L465 HydrophobicContact CG-CD1 4.38Å
452	A	95.9	Very high	92.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-44.8	177.7	0	0	0	0	0	111.8	L448 F449 M454 V455 S456 I462 L465 L594 F596	L448-A452 WeakPolarHBondContact O-CB 3.48Å; L448-A452 PolarHBondContact O-N 3.28Å; F449-A452 PolarHBondContact O-N 3.43Å; A452-M454 VanDerWaalsContact C-N 3.27Å; A452-M454 PolarHBondContact O-N 2.76Å; A452-V455 PolarHBondContact O-N 3.38Å; A452-S456 WeakPolarHBondContact O-CB 3.08Å; A452-S456 PolarHBondContact O-N 3.46Å; A452-I462 HydrophobicContact CB-CD1 4.12Å; A452-L465 HydrophobicContact CB-CD2 3.69Å; A452-L465 VanDerWaalsContact N-CD2 3.32Å; A452-L594 HydrophobicContact CB-CD1 3.65Å; A452-F596 HydrophobicContact CB-CE1 4.12Å; A452-F596 HydrophobicContact CB-CZ 4.21Å
453	S	92.6	Very high	92	Very high	28 Å²	28	38.9 Å²	38.9	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-40.3	173.7	-69.1	0	0	0	0	111.8	F449 L451 S456 T603	F449-S453 PolarHBondContact O-N 2.61Å; F449-S453 PolarHBondContact O-OG 3.06Å; L451-S453 VanDerWaalsContact C-N 3.34Å; L451-S453 PolarHBondContact O-N 3.1Å; S453-S456 PolarHBondContact O-OG 2.87Å; S453-T603 PolarHBondContact OG-O 3.33Å
454	M	89.1	Confident	91.9	Very high	111 Å²	111	38.8 Å²	38.8	55%	0.547	21%	0.206	S	C	.	.	H	α-helix	trans	-66.7	-39.8	-180	-170.2	178.6	-165.6	0	0	113.2	F347 R450 L451 A452	F347-M454 HydrophobicContact CE2-SD 4.38Å; R450-M454 PolarHBondContact O-N 3.42Å; L451-M454 WeakPolarHBondContact O-CA 3.4Å; L451-M454 WeakPolarHBondContact O-CB 3.4Å; L451-M454 PolarHBondContact O-N 3.09Å; A452-M454 VanDerWaalsContact C-N 3.27Å; A452-M454 PolarHBondContact O-N 2.76Å
455	V	92.3	Very high	92.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-99	1.8	-174.4	-52.7	0	0	0	0	114.1	K418 L451 A452 S457 E458 G461 I462 L465	K418-V455 HydrophobicContact CB-CG1 3.8Å; K418-V455 HydrophobicContact CD-CG1 3.92Å; K418-V455 HydrophobicContact CG-CG1 4.36Å; L451-V455 WeakPolarHBondContact O-CG2 3.47Å; L451-V455 PolarHBondContact O-N 3.49Å; A452-V455 PolarHBondContact O-N 3.38Å; V455-S457 PolarHBondContact O-N 3.34Å; V455-E458 WeakPolarHBondContact O-CB 3.17Å; V455-E458 PolarHBondContact O-N 2.85Å; V455-G461 VanDerWaalsContact CG2-C 3.43Å; V455-G461 WeakPolarHBondContact CG2-O 3.28Å; V455-I462 HydrophobicContact CG2-CD1 3.83Å; V455-I462 HydrophobicContact CG2-CG1 4.47Å; V455-L465 HydrophobicContact CG2-CB 4.13Å; V455-L465 HydrophobicContact CG2-CD2 4.05Å
456	S	91.5	Very high	92.2	Very high	27 Å²	27	39.1 Å²	39.1	19%	0.189	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.7	-176.3	59.4	0	0	0	0	114.2	A452 S453	A452-S456 WeakPolarHBondContact O-CB 3.08Å; A452-S456 PolarHBondContact O-N 3.46Å; S453-S456 PolarHBondContact O-OG 2.87Å
457	S	86.5	Confident	92.4	Very high	105 Å²	105	41 Å²	41	73%	0.734	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.3	177.1	58.3	0	0	0	0	113.6	V455	V455-S457 PolarHBondContact O-N 3.34Å
458	E	86.9	Confident	92.6	Very high	57 Å²	57	40.9 Å²	40.9	27%	0.266	21%	0.211	S	C	.	.	S	Bend	trans	-83.4	127.9	178.1	-58.6	-179.1	-164.5	0	0	109.5	K418 V455 T460 G461	K418-E458 IonicContact NZ-OE1 3.71Å; K418-E458 PolarHBondContact NZ-OE1 3.15Å; K418-E458 IonicContact NZ-OE2 3.5Å; V455-E458 WeakPolarHBondContact O-CB 3.17Å; V455-E458 PolarHBondContact O-N 2.85Å; E458-T460 PolarHBondContact O-N 2.93Å; E458-T460 VanDerWaalsContact O-N 3.1Å; E458-G461 PolarHBondContact O-N 3.36Å
459	R	84.7	Confident	92.7	Very high	171 Å²	171	40.9 Å²	40.9	65%	0.645	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-40.1	-176.3	-178.9	178.9	-179.7	166.3	2.1	113.7
460	T	87.3	Confident	92.8	Very high	26 Å²	26	41 Å²	41	16%	0.16	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	2.9	180	56.4	0	0	0	0	112.4	W250 E458 I462 A463 K464	W250-T460 HydrophobicContact CE3-CG2 4.47Å; E458-T460 PolarHBondContact O-N 2.93Å; E458-T460 VanDerWaalsContact O-N 3.1Å; T460-I462 PolarHBondContact O-N 3.44Å; T460-A463 PolarHBondContact O-N 3.33Å; T460-K464 WeakPolarHBondContact O-CG 3.5Å; T460-K464 PolarHBondContact O-N 3.11Å
461	G	91.5	Very high	93.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-54	-167.9	0	0	0	0	0	113.8	V455 E458 A463 K464 L465	V455-G461 VanDerWaalsContact CG2-C 3.43Å; V455-G461 WeakPolarHBondContact CG2-O 3.28Å; E458-G461 PolarHBondContact O-N 3.36Å; G461-A463 VanDerWaalsContact C-N 3.34Å; G461-A463 PolarHBondContact O-N 3.41Å; G461-K464 PolarHBondContact O-N 3.14Å; G461-L465 WeakPolarHBondContact O-CB 3Å; G461-L465 PolarHBondContact O-N 3.23Å
462	I	94.9	Very high	93.2	Very high	37 Å²	37	37.2 Å²	37.2	19%	0.19	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-39.2	-179.6	-62.6	-63.3	0	0	0	111.8	A452 V455 T460 L465 Y466 L594 F596	A452-I462 HydrophobicContact CB-CD1 4.12Å; V455-I462 HydrophobicContact CG2-CD1 3.83Å; V455-I462 HydrophobicContact CG2-CG1 4.47Å; T460-I462 PolarHBondContact O-N 3.44Å; I462-L465 PolarHBondContact O-N 3.12Å; I462-Y466 HydrophobicContact CG2-CD2 4.09Å; I462-Y466 HydrophobicContact CG2-CE1 4.12Å; I462-Y466 HydrophobicContact CG2-CE2 3.62Å; I462-Y466 PolarHBondContact O-N 3.45Å; I462-L594 HydrophobicContact CD1-CD1 4.49Å; I462-F596 HydrophobicContact CD1-CE1 4.48Å; I462-F596 HydrophobicContact CD1-CE2 4.15Å; I462-F596 HydrophobicContact CD1-CZ 3.55Å; I462-F596 HydrophobicContact CG1-CE2 4.43Å; I462-F596 HydrophobicContact CG1-CZ 4.3Å
463	A	93.5	Very high	93.2	Very high	59 Å²	59	37.9 Å²	37.9	49%	0.488	21%	0.206	S	C	.	.	H	α-helix	trans	-62.5	-45.7	177	0	0	0	0	0	111.5	T460 G461 Y466 Q467	T460-A463 PolarHBondContact O-N 3.33Å; G461-A463 VanDerWaalsContact C-N 3.34Å; G461-A463 PolarHBondContact O-N 3.41Å; A463-Y466 PolarHBondContact O-N 3.27Å; A463-Q467 WeakPolarHBondContact O-CG 3.46Å; A463-Q467 PolarHBondContact O-N 2.76Å; A463-Q467 VanDerWaalsContact O-N 3.11Å
464	K	93.4	Very high	93.3	Very high	17 Å²	17	37.5 Å²	37.5	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-36.3	176.6	-69.6	-171.2	-179	-139.1	0	112.8	H252 E421 T460 G461 Q467 M468	H252-K464 HydrophobicContact CB-CD 4Å; E421-K464 IonicContact OE1-NZ 3.37Å; E421-K464 PolarHBondContact OE1-NZ 2.8Å; T460-K464 WeakPolarHBondContact O-CG 3.5Å; T460-K464 PolarHBondContact O-N 3.11Å; G461-K464 PolarHBondContact O-N 3.14Å; K464-Q467 WeakPolarHBondContact O-CB 3.45Å; K464-Q467 PolarHBondContact O-N 2.81Å; K464-M468 PolarHBondContact O-N 2.74Å; K464-M468 VanDerWaalsContact O-N 3.09Å
465	L	96.5	Very high	93.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-43.8	172.2	176.5	60.6	0	0	0	111.1	K418 L451 A452 V455 G461 I462 Q467 M468 V469	K418-L465 WeakPolarHBondContact O-CA 3.47Å; L451-L465 HydrophobicContact CB-CD1 3.62Å; L451-L465 HydrophobicContact CB-CD2 4.02Å; L451-L465 HydrophobicContact CB-CG 4.49Å; L451-L465 HydrophobicContact CD1-CD1 3.87Å; L451-L465 HydrophobicContact CG-CD1 4.38Å; A452-L465 HydrophobicContact CB-CD2 3.69Å; A452-L465 VanDerWaalsContact N-CD2 3.32Å; V455-L465 HydrophobicContact CG2-CB 4.13Å; V455-L465 HydrophobicContact CG2-CD2 4.05Å; G461-L465 WeakPolarHBondContact O-CB 3Å; G461-L465 PolarHBondContact O-N 3.23Å; I462-L465 PolarHBondContact O-N 3.12Å; L465-Q467 VanDerWaalsContact C-N 3.3Å; L465-Q467 PolarHBondContact O-N 3.09Å; L465-M468 CarbonylContact O-C 3.55Å; L465-M468 WeakPolarHBondContact O-CA 3.43Å; L465-M468 WeakPolarHBondContact O-CB 3.45Å; L465-M468 PolarHBondContact O-N 3.36Å; L465-V469 HydrophobicContact CD1-CG2 4.22Å; L465-V469 HydrophobicContact CG-CG2 4.3Å; L465-V469 WeakPolarHBondContact O-CG2 3.48Å; L465-V469 PolarHBondContact O-N 2.97Å
466	Y	97.2	Very high	93.5	Very high	33 Å²	33	35.1 Å²	35.1	13%	0.129	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-34	176.7	-71.2	-16.8	0	0	0	113	I462 A463 M468 V469 G470 L587 I588 L594	I462-Y466 HydrophobicContact CG2-CD2 4.09Å; I462-Y466 HydrophobicContact CG2-CE1 4.12Å; I462-Y466 HydrophobicContact CG2-CE2 3.62Å; I462-Y466 PolarHBondContact O-N 3.45Å; A463-Y466 PolarHBondContact O-N 3.27Å; Y466-M468 VanDerWaalsContact C-N 3.32Å; Y466-V469 PolarHBondContact O-N 2.9Å; Y466-G470 PolarHBondContact O-N 2.99Å; Y466-L587 HydrophobicContact CE1-CB 4.16Å; Y466-L587 WeakPolarHBondContact CE2-O 3.4Å; Y466-I588 HydrophobicContact CD1-CG2 4.28Å; Y466-I588 HydrophobicContact CG-CG2 4.3Å; Y466-L594 HydrophobicContact CE1-CD1 4.17Å; Y466-L594 WeakPolarHBondContact OH-CG 3.32Å
467	Q	96.2	Very high	93.5	Very high	84 Å²	84	38.8 Å²	38.8	39%	0.393	20%	0.204	S	C	.	.	H	α-helix	trans	-61.7	-41.9	170.1	-66.6	166.1	-23.3	0	0	111.4	L420 A463 K464 L465 G470 Y471 N486	L420-Q467 HydrophobicContact CD1-CB 4.14Å; A463-Q467 WeakPolarHBondContact O-CG 3.46Å; A463-Q467 PolarHBondContact O-N 2.76Å; A463-Q467 VanDerWaalsContact O-N 3.11Å; K464-Q467 WeakPolarHBondContact O-CB 3.45Å; K464-Q467 PolarHBondContact O-N 2.81Å; L465-Q467 VanDerWaalsContact C-N 3.3Å; L465-Q467 PolarHBondContact O-N 3.09Å; Q467-G470 PolarHBondContact O-N 3.26Å; Q467-Y471 PolarHBondContact O-N 3.09Å; Q467-N486 PolarHBondContact NE2-OD1 3.44Å; Q467-N486 PolarHBondContact OE1-OD1 3.23Å
468	M	97	Very high	93.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-43.2	176.1	-169.4	63.3	-151.2	0	0	112.8	S416 S417 L420 Y423 L441 K464 L465 Y466 G470 Y471 C472	S416-M468 WeakPolarHBondContact OG-CE 3.38Å; S416-M468 WeakPolarHBondContact OG-CG 3.44Å; S417-M468 WeakPolarHBondContact O-CG 3.26Å; L420-M468 HydrophobicContact CB-SD 4.46Å; L420-M468 HydrophobicContact CD2-CE 4.47Å; L420-M468 HydrophobicContact CD2-SD 3.53Å; L420-M468 VanDerWaalsContact CD2-SD 3.53Å; L420-M468 HydrophobicContact CG-SD 3.81Å; Y423-M468 HydrophobicContact CD1-CE 4.08Å; Y423-M468 HydrophobicContact CD1-SD 4.48Å; Y423-M468 HydrophobicContact CD2-CE 3.97Å; Y423-M468 HydrophobicContact CE2-CE 4.48Å; Y423-M468 HydrophobicContact CG-CE 3.73Å; Y423-M468 HydrophobicContact CG-SD 4.16Å; L441-M468 HydrophobicContact CD1-CE 3.18Å; K464-M468 PolarHBondContact O-N 2.74Å; K464-M468 VanDerWaalsContact O-N 3.09Å; L465-M468 CarbonylContact O-C 3.55Å; L465-M468 WeakPolarHBondContact O-CA 3.43Å; L465-M468 WeakPolarHBondContact O-CB 3.45Å; L465-M468 PolarHBondContact O-N 3.36Å; Y466-M468 VanDerWaalsContact C-N 3.32Å; M468-G470 VanDerWaalsContact C-N 3.33Å; M468-G470 PolarHBondContact O-N 2.88Å; M468-Y471 HydrophobicContact CE-CD1 3.63Å; M468-Y471 HydrophobicContact CE-CE1 4.11Å; M468-Y471 HydrophobicContact CE-CG 4.48Å; M468-Y471 WeakPolarHBondContact O-CB 3.39Å; M468-Y471 PolarHBondContact O-N 3.3Å; M468-Y471 HydrophobicContact SD-CD1 4.4Å; M468-C472 PolarHBondContact O-N 3.25Å; M468-C472 PolarHBondContact O-SG 3.37Å
469	V	97.6	Very high	94.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-44.8	174.1	175.3	0	0	0	0	110.1	W443 L448 L465 Y466 Y471 C472 I473 I588	W443-V469 HydrophobicContact CH2-CG1 4.38Å; W443-V469 HydrophobicContact CH2-CG2 3.91Å; W443-V469 HydrophobicContact CZ2-CG1 4.2Å; L448-V469 HydrophobicContact CD1-CG1 3.93Å; L448-V469 HydrophobicContact CD1-CG2 3.87Å; L448-V469 HydrophobicContact CG-CG2 3.89Å; L465-V469 HydrophobicContact CD1-CG2 4.22Å; L465-V469 HydrophobicContact CG-CG2 4.3Å; L465-V469 WeakPolarHBondContact O-CG2 3.48Å; L465-V469 PolarHBondContact O-N 2.97Å; Y466-V469 PolarHBondContact O-N 2.9Å; V469-Y471 VanDerWaalsContact C-N 3.29Å; V469-Y471 PolarHBondContact O-N 3.29Å; V469-C472 WeakPolarHBondContact O-CB 3.49Å; V469-C472 PolarHBondContact O-N 2.95Å; V469-I473 HydrophobicContact CG1-CG2 4.4Å; V469-I473 WeakPolarHBondContact O-CG1 3.21Å; V469-I473 PolarHBondContact O-N 3.22Å; V469-I588 HydrophobicContact CB-CG2 3.91Å; V469-I588 HydrophobicContact CG1-CG2 3.74Å
470	G	97.2	Very high	94.6	Very high	17 Å²	17	24.1 Å²	24.1	18%	0.175	13%	0.131	C	C	.	.	H	α-helix	trans	-56.6	-43.2	173.9	0	0	0	0	0	111.9	Y466 Q467 M468 C472 I473 D474	Y466-G470 PolarHBondContact O-N 2.99Å; Q467-G470 PolarHBondContact O-N 3.26Å; M468-G470 VanDerWaalsContact C-N 3.33Å; M468-G470 PolarHBondContact O-N 2.88Å; G470-C472 VanDerWaalsContact C-N 3.34Å; G470-C472 PolarHBondContact O-N 3.47Å; G470-I473 PolarHBondContact O-N 3.34Å; G470-D474 VanDerWaalsContact O-CB 3.29Å; G470-D474 WeakPolarHBondContact O-CB 3.39Å; G470-D474 PolarHBondContact O-N 3.1Å
471	Y	97.7	Very high	94.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-41.4	171.8	170.5	-87.2	0	0	0	112.8	Y313 V315 L420 Y423 L441 Q467 M468 V469 R479 L482 I483	Y313-Y471 WeakPolarHBondContact CD1-OH 3.37Å; V315-Y471 HydrophobicContact CG2-CD1 4.26Å; V315-Y471 HydrophobicContact CG2-CE1 3.61Å; L420-Y471 HydrophobicContact CD2-CD1 4.21Å; L420-Y471 HydrophobicContact CD2-CD2 3.72Å; L420-Y471 HydrophobicContact CD2-CE2 4.45Å; L420-Y471 HydrophobicContact CD2-CG 3.59Å; Y423-Y471 HydrophobicContact CD1-CE1 4.28Å; Y423-Y471 AromaticContact CE1-CE1 3.63Å; Y423-Y471 HydrophobicContact CE1-CE1 3.63Å; Y423-Y471 HydrophobicContact CE1-CE2 4.28Å; Y423-Y471 AromaticContact CE1-CZ 3.5Å; Y423-Y471 WeakPolarHBondContact CE1-OH 3.47Å; Y423-Y471 AromaticContact CZ-CE1 3.94Å; Y423-Y471 PolarHBondContact OH-OH 3.3Å; L441-Y471 HydrophobicContact CD1-CE1 4.47Å; Q467-Y471 PolarHBondContact O-N 3.09Å; M468-Y471 HydrophobicContact CE-CD1 3.63Å; M468-Y471 HydrophobicContact CE-CE1 4.11Å; M468-Y471 HydrophobicContact CE-CG 4.48Å; M468-Y471 WeakPolarHBondContact O-CB 3.39Å; M468-Y471 PolarHBondContact O-N 3.3Å; M468-Y471 HydrophobicContact SD-CD1 4.4Å; V469-Y471 VanDerWaalsContact C-N 3.29Å; V469-Y471 PolarHBondContact O-N 3.29Å; Y471-R479 HydrophobicContact CE2-CB 3.72Å; Y471-R479 HydrophobicContact CE2-CG 4.28Å; Y471-R479 PolarHBondContact O-NH1 3.42Å; Y471-L482 HydrophobicContact CD2-CB 3.9Å; Y471-L482 HydrophobicContact CD2-CD1 4.13Å; Y471-I483 HydrophobicContact CD2-CG1 4.28Å; Y471-I483 HydrophobicContact CE2-CD1 3.99Å; Y471-I483 HydrophobicContact CE2-CG1 3.88Å
472	C	97.2	Very high	94.8	Very high	5 Å²	5	28 Å²	28	3%	0.034	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-43	-179.3	-66.5	0	0	0	0	112.6	V315 W443 M468 V469 G470	V315-C472 HydrophobicContact CG1-CB 4.42Å; V315-C472 WeakPolarHBondContact CG1-O 3.44Å; W443-C472 HydrophobicContact CB-CB 4.32Å; W443-C472 HydrophobicContact CD2-CB 3.53Å; W443-C472 HydrophobicContact CE3-CB 3.71Å; W443-C472 HydrophobicContact CG-CB 3.8Å; W443-C472 HydrophobicContact CZ3-CB 4.29Å; M468-C472 PolarHBondContact O-N 3.25Å; M468-C472 PolarHBondContact O-SG 3.37Å; V469-C472 WeakPolarHBondContact O-CB 3.49Å; V469-C472 PolarHBondContact O-N 2.95Å; G470-C472 VanDerWaalsContact C-N 3.34Å; G470-C472 PolarHBondContact O-N 3.47Å
473	I	95.9	Very high	94.7	Very high	13 Å²	13	26.5 Å²	26.5	7%	0.067	14%	0.137	C	C	.	.	H	α-helix	trans	-89.8	-18.3	-171.4	73.5	175.4	0	0	0	113.8	V469 G470 P475 H581 W585 I588	V469-I473 HydrophobicContact CG1-CG2 4.4Å; V469-I473 WeakPolarHBondContact O-CG1 3.21Å; V469-I473 PolarHBondContact O-N 3.22Å; G470-I473 PolarHBondContact O-N 3.34Å; I473-P475 WeakPolarHBondContact O-CD 3.37Å; I473-P475 VanDerWaalsContact O-N 3.17Å; I473-H581 PolarHBondContact O-CE1 3.45Å; I473-W585 HydrophobicContact CD1-CB 4.01Å; I473-I588 HydrophobicContact CD1-CD1 3.81Å; I473-I588 HydrophobicContact CG1-CD1 4.42Å
474	D	95.6	Very high	94.4	Very high	20 Å²	20	24 Å²	24	11%	0.107	12%	0.116	C	C	.	.			trans	-65.5	114.4	-178.8	-168.6	-45.2	0	0	0	111.1	G470 N476 K477 R479 L482 N503	G470-D474 VanDerWaalsContact O-CB 3.29Å; G470-D474 WeakPolarHBondContact O-CB 3.39Å; G470-D474 PolarHBondContact O-N 3.1Å; D474-N476 VanDerWaalsContact C-N 3.34Å; D474-N476 WeakPolarHBondContact OD1-CA 3.3Å; D474-N476 PolarHBondContact OD1-N 2.82Å; D474-K477 PolarHBondContact OD1-N 2.71Å; D474-K477 VanDerWaalsContact OD2-CD 3.23Å; D474-K477 WeakPolarHBondContact OD2-CD 3.48Å; D474-K477 WeakPolarHBondContact OD2-CG 3.35Å; D474-K477 IonicContact OD2-NZ 2.81Å; D474-R479 VanDerWaalsContact O-CZ 3.28Å; D474-R479 PolarHBondContact O-NH1 3.44Å; D474-R479 PolarHBondContact O-NH2 2.81Å; D474-L482 HydrophobicContact CB-CD1 4.08Å; D474-N503 PolarHBondContact O-ND2 2.76Å
475	P	92.9	Very high	94	Very high	13 Å²	13	29.8 Å²	29.8	8%	0.084	14%	0.141	C	C	.	.	S	Bend	trans	-89.7	0.8	-177.3	36.7	-34.4	0	0	0	113.2	I473 N503 L517 P623 L625	I473-P475 WeakPolarHBondContact O-CD 3.37Å; I473-P475 VanDerWaalsContact O-N 3.17Å; P475-N503 PolarHBondContact O-OD1 3.04Å; P475-L517 HydrophobicContact CB-CD1 4.13Å; P475-L517 HydrophobicContact CG-CD1 3.53Å; P475-P623 HydrophobicContact CG-CB 3.91Å; P475-P623 HydrophobicContact CG-CG 4.47Å; P475-L625 HydrophobicContact CB-CB 4.08Å
476	N	91.6	Very high	93.6	Very high	49 Å²	49	31.1 Å²	31.1	26%	0.262	15%	0.148	S	C	.	.	S	Bend	trans	-123	-53.7	-163.6	-177.9	20.3	0	0	0	112.8	D474 N503 K507 L517	D474-N476 VanDerWaalsContact C-N 3.34Å; D474-N476 WeakPolarHBondContact OD1-CA 3.3Å; D474-N476 PolarHBondContact OD1-N 2.82Å; N476-N503 PolarHBondContact N-ND2 3.12Å; N476-K507 WeakPolarHBondContact O-CE 3.48Å; N476-K507 PolarHBondContact O-NZ 2.83Å; N476-K507 WeakPolarHBondContact OD1-CE 3.36Å; N476-K507 PolarHBondContact OD1-NZ 3.31Å; N476-L517 HydrophobicContact CB-CD2 3.81Å
477	K	93	Very high	92.9	Very high	105 Å²	105	29.6 Å²	29.6	46%	0.457	14%	0.142	S	C	.	.	S	Bend	trans	-69.2	143.4	-175.6	-65.4	179.6	-169	150.2	0	110	D474 R479 L482 N503	D474-K477 PolarHBondContact OD1-N 2.71Å; D474-K477 VanDerWaalsContact OD2-CD 3.23Å; D474-K477 WeakPolarHBondContact OD2-CD 3.48Å; D474-K477 WeakPolarHBondContact OD2-CG 3.35Å; D474-K477 IonicContact OD2-NZ 2.81Å; K477-R479 PolarHBondContact O-N 2.82Å; K477-L482 HydrophobicContact CB-CD1 4.17Å; K477-L482 HydrophobicContact CB-CD2 3.95Å; K477-L482 HydrophobicContact CB-CG 4.04Å; K477-L482 HydrophobicContact CD-CD2 3.92Å; K477-N503 WeakPolarHBondContact O-CB 3.33Å; K477-N503 PolarHBondContact O-ND2 2.81Å
478	C	93.6	Very high	92	Very high	3 Å²	3	27 Å²	27	2%	0.02	14%	0.138	C	C	.	.			trans	-57.1	132.4	176.2	173.8	0	0	0	0	110	R480 Y481 L482 W492 T494 C497 C504	C478-R480 VanDerWaalsContact C-N 3.27Å; C478-R480 PolarHBondContact O-N 2.98Å; C478-R480 PolarHBondContact SG-N 2.98Å; C478-R480 VanDerWaalsContact SG-N 3.42Å; C478-Y481 VanDerWaalsContact O-CB 3.29Å; C478-Y481 WeakPolarHBondContact O-CB 3.45Å; C478-Y481 PolarHBondContact O-N 2.9Å; C478-L482 WeakPolarHBondContact O-CG 3.25Å; C478-L482 PolarHBondContact O-N 2.88Å; C478-W492 HydrophobicContact CB-CH2 4.26Å; C478-W492 VanDerWaalsContact SG-CH2 3.52Å; C478-T494 HydrophobicContact CB-CG2 3.98Å; C478-C497 PolarHBondContact SG-SG 3.47Å; C478-C504 VanDerWaalsContact SG-SG 3.66Å
479	R	94.8	Very high	90.9	Very high	8 Å²	8	27.7 Å²	27.7	3%	0.03	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-41.1	178.9	-59.8	-61.1	-175.3	-166.3	-6.1	112	Y471 D474 K477 Y481 L482 I483 C501 D502 N503	Y471-R479 HydrophobicContact CE2-CB 3.72Å; Y471-R479 HydrophobicContact CE2-CG 4.28Å; Y471-R479 PolarHBondContact O-NH1 3.42Å; D474-R479 VanDerWaalsContact O-CZ 3.28Å; D474-R479 PolarHBondContact O-NH1 3.44Å; D474-R479 PolarHBondContact O-NH2 2.81Å; K477-R479 PolarHBondContact O-N 2.82Å; R479-Y481 VanDerWaalsContact C-N 3.33Å; R479-Y481 PolarHBondContact O-N 2.98Å; R479-L482 WeakPolarHBondContact O-CB 3.5Å; R479-L482 PolarHBondContact O-N 3.29Å; R479-I483 WeakPolarHBondContact O-CG1 3.41Å; R479-I483 PolarHBondContact O-N 2.82Å; R479-I483 VanDerWaalsContact O-N 3.1Å; R479-C501 HydrophobicContact CB-CB 3.77Å; R479-C501 HydrophobicContact CG-CB 3.79Å; R479-C501 PolarHBondContact N-SG 3.16Å; R479-D502 WeakPolarHBondContact CG-OD1 3.47Å; R479-D502 IonicContact CZ-OD1 2.81Å; R479-D502 IonicContact CZ-OD2 3.31Å; R479-D502 IonicContact NE-OD1 3.91Å; R479-D502 PolarHBondContact NE-OD1 2.9Å; R479-D502 IonicContact NE-OD2 3.66Å; R479-D502 PolarHBondContact NE-OD2 3.31Å; R479-D502 IonicContact NH2-OD1 3.77Å; R479-D502 IonicContact NH2-OD2 3.67Å; R479-D502 PolarHBondContact NH2-OD2 2.81Å; R479-N503 VanDerWaalsContact CZ-ND2 3.29Å; R479-N503 PolarHBondContact NE-ND2 3.37Å; R479-N503 PolarHBondContact NH2-OD1 3.29Å
480	R	92.2	Very high	89.6	Confident	13 Å²	13	33.6 Å²	33.6	5%	0.049	18%	0.178	C	C	.	.	H	α-helix	trans	-68.8	-34.8	-179.2	-55.5	176	102.3	-122	-20.2	111.1	N307 R308 E309 L311 Y313 C478 I483 S484 W492	N307-R480 PolarHBondContact OD1-NH1 2.95Å; N307-R480 PolarHBondContact OD1-NH2 2.76Å; R308-R480 PolarHBondContact O-NH2 2.85Å; E309-R480 VanDerWaalsContact CA-NH2 3.33Å; L311-R480 PolarHBondContact O-NE 3.27Å; Y313-R480 HydrophobicContact CD2-CG 3.8Å; Y313-R480 HydrophobicContact CE2-CG 4.33Å; C478-R480 VanDerWaalsContact C-N 3.27Å; C478-R480 PolarHBondContact O-N 2.98Å; C478-R480 PolarHBondContact SG-N 2.98Å; C478-R480 VanDerWaalsContact SG-N 3.42Å; R480-I483 PolarHBondContact O-N 2.92Å; R480-S484 WeakPolarHBondContact O-CB 3.39Å; R480-S484 PolarHBondContact O-N 3.36Å; R480-W492 HydrophobicContact CB-CH2 3.91Å; R480-W492 HydrophobicContact CB-CZ2 3.52Å
481	Y	91.1	Very high	88.2	Confident	83 Å²	83	36.7 Å²	36.7	33%	0.325	20%	0.197	S	C	.	.	H	α-helix	trans	-60.9	-47.7	170.1	-178.4	-111.8	0	0	0	112.1	C478 R479 I483 S484 K485 W492 T494	C478-Y481 VanDerWaalsContact O-CB 3.29Å; C478-Y481 WeakPolarHBondContact O-CB 3.45Å; C478-Y481 PolarHBondContact O-N 2.9Å; R479-Y481 VanDerWaalsContact C-N 3.33Å; R479-Y481 PolarHBondContact O-N 2.98Å; Y481-I483 VanDerWaalsContact C-N 3.29Å; Y481-I483 PolarHBondContact O-N 3.28Å; Y481-S484 PolarHBondContact O-N 2.87Å; Y481-K485 HydrophobicContact CE1-CD 4.08Å; Y481-K485 VanDerWaalsContact O-CB 3.24Å; Y481-K485 WeakPolarHBondContact O-CB 3.29Å; Y481-K485 PolarHBondContact O-N 2.82Å; Y481-W492 AromaticContact CD2-CE3 3.96Å; Y481-W492 HydrophobicContact CD2-CE3 3.96Å; Y481-W492 AromaticContact CD2-CZ3 3.72Å; Y481-W492 HydrophobicContact CD2-CZ3 3.72Å; Y481-W492 AromaticContact CG-CZ3 3.97Å; Y481-W492 HydrophobicContact CG-CZ3 3.97Å; Y481-W492 VanDerWaalsContact N-CH2 3.32Å; Y481-W492 VanDerWaalsContact N-CZ3 3.32Å; Y481-T494 HydrophobicContact CG-CG2 4.35Å
482	L	92.5	Very high	87	Confident	25 Å²	25	37.5 Å²	37.5	13%	0.131	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-42.2	-179.1	-67.8	171.5	0	0	0	111.2	Y471 D474 K477 C478 R479 N486	Y471-L482 HydrophobicContact CD2-CB 3.9Å; Y471-L482 HydrophobicContact CD2-CD1 4.13Å; D474-L482 HydrophobicContact CB-CD1 4.08Å; K477-L482 HydrophobicContact CB-CD1 4.17Å; K477-L482 HydrophobicContact CB-CD2 3.95Å; K477-L482 HydrophobicContact CB-CG 4.04Å; K477-L482 HydrophobicContact CD-CD2 3.92Å; C478-L482 WeakPolarHBondContact O-CG 3.25Å; C478-L482 PolarHBondContact O-N 2.88Å; R479-L482 WeakPolarHBondContact O-CB 3.5Å; R479-L482 PolarHBondContact O-N 3.29Å; L482-N486 WeakPolarHBondContact O-CB 3.48Å; L482-N486 PolarHBondContact O-N 3.12Å; L482-N486 VanDerWaalsContact O-N 3.1Å
483	I	91.6	Very high	86.2	Confident	6 Å²	6	39.4 Å²	39.4	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-52.8	173.9	-66.1	167.1	0	0	0	110.7	Y313 L420 Y423 Y424 Y471 R479 R480 Y481 K485 N486 L487	Y313-I483 HydrophobicContact CD1-CD1 3.85Å; Y313-I483 HydrophobicContact CE1-CD1 3.55Å; Y313-I483 HydrophobicContact CE2-CD1 4.33Å; Y313-I483 HydrophobicContact CG-CD1 4.35Å; L420-I483 HydrophobicContact CD2-CG1 4.28Å; Y423-I483 HydrophobicContact CD1-CD1 4.48Å; Y423-I483 HydrophobicContact CE1-CD1 4.17Å; Y424-I483 HydrophobicContact CD2-CG2 3.53Å; Y424-I483 HydrophobicContact CE2-CG2 4.11Å; Y424-I483 HydrophobicContact CG-CG2 4.25Å; Y471-I483 HydrophobicContact CD2-CG1 4.28Å; Y471-I483 HydrophobicContact CE2-CD1 3.99Å; Y471-I483 HydrophobicContact CE2-CG1 3.88Å; R479-I483 WeakPolarHBondContact O-CG1 3.41Å; R479-I483 PolarHBondContact O-N 2.82Å; R479-I483 VanDerWaalsContact O-N 3.1Å; R480-I483 PolarHBondContact O-N 2.92Å; Y481-I483 VanDerWaalsContact C-N 3.29Å; Y481-I483 PolarHBondContact O-N 3.28Å; I483-K485 PolarHBondContact O-N 2.7Å; I483-N486 PolarHBondContact O-N 2.94Å; I483-N486 VanDerWaalsContact O-N 3.13Å; I483-L487 HydrophobicContact CG2-CD1 3.69Å; I483-L487 HydrophobicContact CG2-CG 4.43Å; I483-L487 WeakPolarHBondContact O-CG 3.42Å; I483-L487 PolarHBondContact O-N 2.85Å
484	S	87.1	Confident	85.4	Confident	8 Å²	8	42.3 Å²	42.3	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-47	-178.3	-167.9	0	0	0	0	112.1	R480 Y481 N486 L487 G488 D489 W492	R480-S484 WeakPolarHBondContact O-CB 3.39Å; R480-S484 PolarHBondContact O-N 3.36Å; Y481-S484 PolarHBondContact O-N 2.87Å; S484-N486 VanDerWaalsContact C-N 3.31Å; S484-N486 PolarHBondContact O-N 3.47Å; S484-L487 PolarHBondContact O-N 3.47Å; S484-G488 PolarHBondContact O-N 2.89Å; S484-D489 PolarHBondContact O-N 2.7Å; S484-D489 WeakPolarHBondContact OG-CB 3.15Å; S484-D489 PolarHBondContact OG-O 3.5Å; S484-W492 WeakPolarHBondContact OG-CB 3.26Å
485	K	86.5	Confident	84.7	Confident	137 Å²	137	47.7 Å²	47.7	60%	0.596	26%	0.261	S	S	*	.	H	α-helix	trans	-58.9	-43.5	177	-177.2	179.9	178.8	178.7	0	111.1	Y481 I483 G488	Y481-K485 HydrophobicContact CE1-CD 4.08Å; Y481-K485 VanDerWaalsContact O-CB 3.24Å; Y481-K485 WeakPolarHBondContact O-CB 3.29Å; Y481-K485 PolarHBondContact O-N 2.82Å; I483-K485 PolarHBondContact O-N 2.7Å; K485-G488 PolarHBondContact O-N 3.32Å
486	N	86.7	Confident	84.3	Confident	28 Å²	28	49.9 Å²	49.9	15%	0.15	27%	0.272	C	S	.	.	H	α-helix	trans	-68	-35.6	179.8	-162.1	81.5	0	0	0	112.7	L420 E421 Q467 L482 I483 S484 G488	L420-N486 HydrophobicContact CB-CB 4.25Å; L420-N486 WeakPolarHBondContact CB-ND2 3.47Å; L420-N486 HydrophobicContact CD1-CB 3.66Å; E421-N486 PolarHBondContact OE2-ND2 3.41Å; Q467-N486 PolarHBondContact NE2-OD1 3.44Å; Q467-N486 PolarHBondContact OE1-OD1 3.23Å; L482-N486 WeakPolarHBondContact O-CB 3.48Å; L482-N486 PolarHBondContact O-N 3.12Å; L482-N486 VanDerWaalsContact O-N 3.1Å; I483-N486 PolarHBondContact O-N 2.94Å; I483-N486 VanDerWaalsContact O-N 3.13Å; S484-N486 VanDerWaalsContact C-N 3.31Å; S484-N486 PolarHBondContact O-N 3.47Å; N486-G488 PolarHBondContact O-N 3.38Å
487	L	83	Confident	84.2	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	4.5	177.8	-62.5	174.2	0	0	0	113.3	T279 R303 Y306 E421 Y424 I483 S484 D489	T279-L487 HydrophobicContact CG2-CD2 3.97Å; R303-L487 PolarHBondContact NH2-O 3.32Å; Y306-L487 HydrophobicContact CD1-CB 4.1Å; Y306-L487 HydrophobicContact CD1-CD1 3.49Å; Y306-L487 VanDerWaalsContact CD1-CD1 3.49Å; Y306-L487 HydrophobicContact CD1-CG 4.31Å; Y306-L487 HydrophobicContact CE1-CB 4.08Å; Y306-L487 HydrophobicContact CE1-CD1 4.07Å; Y306-L487 HydrophobicContact CE1-CG 4.47Å; Y306-L487 HydrophobicContact CG-CB 4.28Å; Y306-L487 HydrophobicContact CG-CD1 3.97Å; E421-L487 HydrophobicContact CB-CD2 4.49Å; E421-L487 HydrophobicContact CG-CD2 3.81Å; Y424-L487 HydrophobicContact CD1-CD1 3.73Å; Y424-L487 HydrophobicContact CD2-CD1 3.84Å; Y424-L487 HydrophobicContact CE1-CD1 4.02Å; Y424-L487 HydrophobicContact CE2-CD1 4.09Å; Y424-L487 HydrophobicContact CG-CD1 3.63Å; I483-L487 HydrophobicContact CG2-CD1 3.69Å; I483-L487 HydrophobicContact CG2-CG 4.43Å; I483-L487 WeakPolarHBondContact O-CG 3.42Å; I483-L487 PolarHBondContact O-N 2.85Å; S484-L487 PolarHBondContact O-N 3.47Å; L487-D489 VanDerWaalsContact C-N 3.26Å; L487-D489 PolarHBondContact O-N 3.06Å
488	G	77.5	Confident	84	Confident	30 Å²	30	48.9 Å²	48.9	31%	0.309	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	34.1	-178.9	0	0	0	0	0	112.9	R303 S484 K485 N486	R303-G488 PolarHBondContact NH1-O 3.5Å; R303-G488 VanDerWaalsContact NH2-C 3.32Å; R303-G488 PolarHBondContact NH2-O 2.9Å; S484-G488 PolarHBondContact O-N 2.89Å; K485-G488 PolarHBondContact O-N 3.32Å; N486-G488 PolarHBondContact O-N 3.38Å
489	D	74.7	Confident	83.8	Confident	15 Å²	15	51.5 Å²	51.5	8%	0.08	28%	0.279	C	S	.	.			trans	-95.9	109	172.9	-174.2	2.7	0	0	0	109.5	S305 Y306 S484 L487 S491	S305-D489 PolarHBondContact OG-OD2 2.84Å; Y306-D489 HydrophobicContact CD2-CB 3.51Å; Y306-D489 WeakPolarHBondContact CD2-OD2 3.18Å; Y306-D489 HydrophobicContact CE2-CB 4.03Å; Y306-D489 HydrophobicContact CG-CB 4.39Å; Y306-D489 PolarHBondContact N-OD2 2.9Å; S484-D489 PolarHBondContact O-N 2.7Å; S484-D489 WeakPolarHBondContact OG-CB 3.15Å; S484-D489 PolarHBondContact OG-O 3.5Å; L487-D489 VanDerWaalsContact C-N 3.26Å; L487-D489 PolarHBondContact O-N 3.06Å; D489-S491 WeakPolarHBondContact OD1-CB 3.41Å; D489-S491 PolarHBondContact OD1-N 2.94Å; D489-S491 PolarHBondContact OD1-OG 3.1Å
490	T	68.8	Low	83.8	Confident	125 Å²	125	51.4 Å²	51.4	77%	0.767	28%	0.28	S	S	*	.			trans	-90.5	-4.6	179.6	57.4	0	0	0	0	112.7	W492	T490-W492 PolarHBondContact O-N 2.76Å
491	S	68	Low	83.9	Confident	82 Å²	82	50.8 Å²	50.8	57%	0.573	28%	0.277	S	S	*	.	S	Bend	trans	-80.6	6.1	-176.3	86.1	0	0	0	0	113.5	D489	D489-S491 WeakPolarHBondContact OD1-CB 3.41Å; D489-S491 PolarHBondContact OD1-N 2.94Å; D489-S491 PolarHBondContact OD1-OG 3.1Å
492	W	73.5	Confident	84.1	Confident	19 Å²	19	47.5 Å²	47.5	7%	0.072	27%	0.266	C	S	.	.			trans	-128.4	138.2	-166.6	-170.2	89.3	0	0	0	111.8	N307 C478 R480 Y481 S484 T490 T494 D496 C497	N307-W492 VanDerWaalsContact CG-CD1 3.48Å; N307-W492 VanDerWaalsContact CG-NE1 3.34Å; N307-W492 PolarHBondContact ND2-NE1 2.95Å; N307-W492 PolarHBondContact OD1-NE1 2.97Å; C478-W492 HydrophobicContact CB-CH2 4.26Å; C478-W492 VanDerWaalsContact SG-CH2 3.52Å; R480-W492 HydrophobicContact CB-CH2 3.91Å; R480-W492 HydrophobicContact CB-CZ2 3.52Å; Y481-W492 AromaticContact CD2-CE3 3.96Å; Y481-W492 HydrophobicContact CD2-CE3 3.96Å; Y481-W492 AromaticContact CD2-CZ3 3.72Å; Y481-W492 HydrophobicContact CD2-CZ3 3.72Å; Y481-W492 AromaticContact CG-CZ3 3.97Å; Y481-W492 HydrophobicContact CG-CZ3 3.97Å; Y481-W492 VanDerWaalsContact N-CH2 3.32Å; Y481-W492 VanDerWaalsContact N-CZ3 3.32Å; S484-W492 WeakPolarHBondContact OG-CB 3.26Å; T490-W492 PolarHBondContact O-N 2.76Å; W492-T494 HydrophobicContact CZ3-CG2 4.39Å; W492-D496 HydrophobicContact CD2-CB 4.46Å; W492-D496 HydrophobicContact CG-CB 4.44Å; W492-D496 HydrophobicContact CZ2-CB 4.26Å; W492-C497 HydrophobicContact CH2-CB 4.16Å; W492-C497 HydrophobicContact CZ2-CB 3.98Å
493	S	79.2	Confident	84.1	Confident	45 Å²	45	46.3 Å²	46.3	32%	0.315	26%	0.259	S	S	.	.			trans	-124.4	163.3	179.4	75.8	0	0	0	0	111.6	D495 D496	S493-D495 PolarHBondContact O-N 2.99Å; S493-D495 VanDerWaalsContact O-N 3.1Å; S493-D495 PolarHBondContact OG-N 3.43Å; S493-D496 WeakPolarHBondContact CA-OD2 3.45Å; S493-D496 PolarHBondContact N-OD2 2.97Å; S493-D496 WeakPolarHBondContact O-CB 3.3Å; S493-D496 PolarHBondContact O-N 2.78Å; S493-D496 VanDerWaalsContact O-N 3.12Å; S493-D496 PolarHBondContact OG-OD2 2.9Å
494	T	79.4	Confident	84.2	Confident	73 Å²	73	46.8 Å²	46.8	45%	0.448	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59	-24.5	177.8	45	0	0	0	0	114	C478 Y481 W492 D496 C497	C478-T494 HydrophobicContact CB-CG2 3.98Å; Y481-T494 HydrophobicContact CG-CG2 4.35Å; W492-T494 HydrophobicContact CZ3-CG2 4.39Å; T494-D496 VanDerWaalsContact C-N 3.29Å; T494-D496 PolarHBondContact O-N 3.41Å; T494-C497 WeakPolarHBondContact O-CB 3.44Å; T494-C497 PolarHBondContact O-N 3.49Å
495	D	81.7	Confident	84.4	Confident	134 Å²	134	47.9 Å²	47.9	72%	0.717	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-71.2	-29	-178.3	-59.7	-22.8	0	0	0	111.3	S493 C497 K498	S493-D495 PolarHBondContact O-N 2.99Å; S493-D495 VanDerWaalsContact O-N 3.1Å; S493-D495 PolarHBondContact OG-N 3.43Å; D495-C497 PolarHBondContact O-N 2.95Å; D495-C497 VanDerWaalsContact O-N 3.12Å; D495-K498 PolarHBondContact O-N 3.12Å
496	D	83.5	Confident	84.5	Confident	58 Å²	58	44.8 Å²	44.8	31%	0.31	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-69	-8.2	174.7	-56.8	-58.5	0	0	0	112.8	W492 S493 T494	W492-D496 HydrophobicContact CD2-CB 4.46Å; W492-D496 HydrophobicContact CG-CB 4.44Å; W492-D496 HydrophobicContact CZ2-CB 4.26Å; S493-D496 WeakPolarHBondContact CA-OD2 3.45Å; S493-D496 PolarHBondContact N-OD2 2.97Å; S493-D496 WeakPolarHBondContact O-CB 3.3Å; S493-D496 PolarHBondContact O-N 2.78Å; S493-D496 VanDerWaalsContact O-N 3.12Å; S493-D496 PolarHBondContact OG-OD2 2.9Å; T494-D496 VanDerWaalsContact C-N 3.29Å; T494-D496 PolarHBondContact O-N 3.41Å
497	C	89.4	Confident	84.5	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.014	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-70.4	-32.4	178.7	-171.3	0	0	0	0	112.8	C478 W492 T494 D495 N499 A500 C501 C504	C478-C497 PolarHBondContact SG-SG 3.47Å; W492-C497 HydrophobicContact CH2-CB 4.16Å; W492-C497 HydrophobicContact CZ2-CB 3.98Å; T494-C497 WeakPolarHBondContact O-CB 3.44Å; T494-C497 PolarHBondContact O-N 3.49Å; D495-C497 PolarHBondContact O-N 2.95Å; D495-C497 VanDerWaalsContact O-N 3.12Å; C497-N499 PolarHBondContact O-N 3.38Å; C497-N499 VanDerWaalsContact O-N 3.07Å; C497-A500 WeakPolarHBondContact O-CB 3.46Å; C497-A500 PolarHBondContact O-N 2.84Å; C497-C501 VanDerWaalsContact SG-SG 3.68Å; C497-C504 VanDerWaalsContact SG-SG 3.68Å
498	K	88.5	Confident	84.4	Confident	132 Å²	132	52.2 Å²	52.2	57%	0.574	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	38.1	-178.3	-57.1	174.4	-173.2	163.1	0	114.2	E309 D495 A500 R640	E309-K498 IonicContact OE2-NZ 2.71Å; E309-K498 PolarHBondContact OE2-NZ 3.4Å; D495-K498 PolarHBondContact O-N 3.12Å; K498-A500 VanDerWaalsContact C-N 3.27Å; K498-A500 PolarHBondContact O-N 3.12Å; K498-R640 PolarHBondContact O-NH1 3.4Å; K498-R640 PolarHBondContact O-NH2 3.3Å
499	N	91	Very high	84.3	Confident	58 Å²	58	53.6 Å²	53.6	31%	0.31	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	29.1	-173.8	-62.1	-37.2	0	0	0	115	C497 C501 C504 Q505	C497-N499 PolarHBondContact O-N 3.38Å; C497-N499 VanDerWaalsContact O-N 3.07Å; N499-C501 PolarHBondContact O-N 3.38Å; N499-C504 PolarHBondContact OD1-O 3.14Å; N499-Q505 HydrophobicContact CB-CG 4.09Å; N499-Q505 WeakPolarHBondContact O-CG 3.27Å; N499-Q505 PolarHBondContact O-NE2 2.9Å
500	A	93.4	Very high	83.4	Confident	5 Å²	5	60.5 Å²	60.5	4%	0.041	33%	0.33	C	S	.	.			trans	-84.1	24.4	173.1	0	0	0	0	0	113.7	N312 Y313 C497 K498	N312-A500 CarbonylContact C-O 3.57Å; N312-A500 VanDerWaalsContact CA-O 3.26Å; N312-A500 WeakPolarHBondContact CA-O 3.14Å; Y313-A500 PolarHBondContact N-O 2.9Å; C497-A500 WeakPolarHBondContact O-CB 3.46Å; C497-A500 PolarHBondContact O-N 2.84Å; K498-A500 VanDerWaalsContact C-N 3.27Å; K498-A500 PolarHBondContact O-N 3.12Å
501	C	95.5	Very high	82.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-147.8	156.1	166.7	75.2	0	0	0	0	112.2	Y313 R479 C497 N499 N503 C504 Q505	Y313-C501 CarbonylContact O-C 3.42Å; Y313-C501 WeakPolarHBondContact O-CA 3.44Å; Y313-C501 WeakPolarHBondContact O-CB 3.3Å; R479-C501 HydrophobicContact CB-CB 3.77Å; R479-C501 HydrophobicContact CG-CB 3.79Å; R479-C501 PolarHBondContact N-SG 3.16Å; C497-C501 VanDerWaalsContact SG-SG 3.68Å; N499-C501 PolarHBondContact O-N 3.38Å; C501-N503 VanDerWaalsContact C-N 3.33Å; C501-N503 PolarHBondContact O-N 3.3Å; C501-C504 PolarHBondContact O-N 2.98Å; C501-C504 PolarHBondContact SG-N 2.89Å; C501-Q505 WeakPolarHBondContact O-CB 2.97Å; C501-Q505 VanDerWaalsContact O-CG 3.27Å; C501-Q505 WeakPolarHBondContact O-CG 3.4Å; C501-Q505 PolarHBondContact O-N 2.91Å
502	D	94.5	Very high	81.8	Confident	15 Å²	15	61.3 Å²	61.3	8%	0.08	32%	0.323	C	S	.	.	H	α-helix	trans	-50.3	-46	178.9	61.5	-16.1	0	0	0	113.7	Y313 Y314 V315 R479 Q505 R506	Y313-D502 PolarHBondContact O-N 3.31Å; Y314-D502 HydrophobicContact CD1-CB 3.92Å; V315-D502 PolarHBondContact N-OD2 3.34Å; V315-D502 VanDerWaalsContact N-OD2 3.1Å; R479-D502 WeakPolarHBondContact CG-OD1 3.47Å; R479-D502 IonicContact CZ-OD1 2.81Å; R479-D502 IonicContact CZ-OD2 3.31Å; R479-D502 IonicContact NE-OD1 3.91Å; R479-D502 PolarHBondContact NE-OD1 2.9Å; R479-D502 IonicContact NE-OD2 3.66Å; R479-D502 PolarHBondContact NE-OD2 3.31Å; R479-D502 IonicContact NH2-OD1 3.77Å; R479-D502 IonicContact NH2-OD2 3.67Å; R479-D502 PolarHBondContact NH2-OD2 2.81Å; D502-Q505 PolarHBondContact O-N 3.5Å; D502-R506 WeakPolarHBondContact O-CB 3.47Å; D502-R506 PolarHBondContact O-N 2.73Å
503	N	93.6	Very high	80.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.8	-40.4	-177.7	-74.4	-11.5	0	0	0	112.6	D474 P475 N476 K477 R479 C501 R506 K507	D474-N503 PolarHBondContact O-ND2 2.76Å; P475-N503 PolarHBondContact O-OD1 3.04Å; N476-N503 PolarHBondContact N-ND2 3.12Å; K477-N503 WeakPolarHBondContact O-CB 3.33Å; K477-N503 PolarHBondContact O-ND2 2.81Å; R479-N503 VanDerWaalsContact CZ-ND2 3.29Å; R479-N503 PolarHBondContact NE-ND2 3.37Å; R479-N503 PolarHBondContact NH2-OD1 3.29Å; C501-N503 VanDerWaalsContact C-N 3.33Å; C501-N503 PolarHBondContact O-N 3.3Å; N503-R506 PolarHBondContact OD1-NH2 3.01Å; N503-K507 WeakPolarHBondContact O-CG 3.45Å; N503-K507 PolarHBondContact O-N 3.44Å
504	C	92.8	Very high	80.1	Confident	16 Å²	16	67 Å²	67	11%	0.108	35%	0.354	C	S	.	.	H	α-helix	trans	-70	-41.8	175	-70.5	0	0	0	0	111.5	C478 C497 N499 C501 R506 K507 S508	C478-C504 VanDerWaalsContact SG-SG 3.66Å; C497-C504 VanDerWaalsContact SG-SG 3.68Å; N499-C504 PolarHBondContact OD1-O 3.14Å; C501-C504 PolarHBondContact O-N 2.98Å; C501-C504 PolarHBondContact SG-N 2.89Å; C504-R506 VanDerWaalsContact C-N 3.34Å; C504-R506 PolarHBondContact O-N 3.45Å; C504-K507 PolarHBondContact O-N 2.89Å; C504-S508 PolarHBondContact O-N 2.88Å; C504-S508 PolarHBondContact O-OG 3.48Å
505	Q	91.8	Very high	79.9	Confident	30 Å²	30	64.4 Å²	64.4	14%	0.14	34%	0.338	C	S	.	.	H	α-helix	trans	-56.5	-49.6	175.5	-74	169.9	8.5	0	0	110.8	Y314 N499 C501 D502 K507 S508 T509	Y314-Q505 PolarHBondContact OH-NE2 2.97Å; N499-Q505 HydrophobicContact CB-CG 4.09Å; N499-Q505 WeakPolarHBondContact O-CG 3.27Å; N499-Q505 PolarHBondContact O-NE2 2.9Å; C501-Q505 WeakPolarHBondContact O-CB 2.97Å; C501-Q505 VanDerWaalsContact O-CG 3.27Å; C501-Q505 WeakPolarHBondContact O-CG 3.4Å; C501-Q505 PolarHBondContact O-N 2.91Å; D502-Q505 PolarHBondContact O-N 3.5Å; Q505-K507 VanDerWaalsContact C-N 3.31Å; Q505-K507 PolarHBondContact O-N 2.94Å; Q505-S508 PolarHBondContact O-N 2.91Å; Q505-S508 VanDerWaalsContact O-N 3.1Å; Q505-S508 PolarHBondContact O-OG 3.49Å; Q505-T509 PolarHBondContact O-N 3.25Å; Q505-T509 PolarHBondContact O-OG1 3.34Å
506	R	88.3	Confident	80	Confident	73 Å²	73	60.9 Å²	60.9	28%	0.275	32%	0.322	S	S	.	.	H	α-helix	trans	-56.3	-42.6	178.6	-161.1	-162.9	-34.5	-94	0.1	112.8	D502 N503 C504 T509	D502-R506 WeakPolarHBondContact O-CB 3.47Å; D502-R506 PolarHBondContact O-N 2.73Å; N503-R506 PolarHBondContact OD1-NH2 3.01Å; C504-R506 VanDerWaalsContact C-N 3.34Å; C504-R506 PolarHBondContact O-N 3.45Å; R506-T509 WeakPolarHBondContact CA-OG1 3.39Å; R506-T509 VanDerWaalsContact O-O 3.09Å; R506-T509 PolarHBondContact O-OG1 3.21Å
507	K	85.5	Confident	80.2	Confident	121 Å²	121	61.3 Å²	61.3	53%	0.526	32%	0.324	S	S	.	.	H	α-helix	trans	-67.4	-38.3	177	-72.9	175.8	176.5	-178.5	0	112.8	N476 N503 C504 Q505	N476-K507 WeakPolarHBondContact O-CE 3.48Å; N476-K507 PolarHBondContact O-NZ 2.83Å; N476-K507 WeakPolarHBondContact OD1-CE 3.36Å; N476-K507 PolarHBondContact OD1-NZ 3.31Å; N503-K507 WeakPolarHBondContact O-CG 3.45Å; N503-K507 PolarHBondContact O-N 3.44Å; C504-K507 PolarHBondContact O-N 2.89Å; Q505-K507 VanDerWaalsContact C-N 3.31Å; Q505-K507 PolarHBondContact O-N 2.94Å
508	S	82.7	Confident	80.3	Confident	63 Å²	63	63.2 Å²	63.2	44%	0.441	33%	0.333	S	S	.	.	H	α-helix	trans	-74.2	-31.3	-179.4	71.2	0	0	0	0	112.8	C504 Q505 N510	C504-S508 PolarHBondContact O-N 2.88Å; C504-S508 PolarHBondContact O-OG 3.48Å; Q505-S508 PolarHBondContact O-N 2.91Å; Q505-S508 VanDerWaalsContact O-N 3.1Å; Q505-S508 PolarHBondContact O-OG 3.49Å; S508-N510 PolarHBondContact O-N 3.42Å
509	T	75	Confident	80.5	Confident	59 Å²	59	61.5 Å²	61.5	36%	0.362	33%	0.328	S	S	.	.	S	Bend	trans	-76.9	108.4	172.6	47.3	0	0	0	0	108.9	Q505 R506 K511	Q505-T509 PolarHBondContact O-N 3.25Å; Q505-T509 PolarHBondContact O-OG1 3.34Å; R506-T509 WeakPolarHBondContact CA-OG1 3.39Å; R506-T509 VanDerWaalsContact O-O 3.09Å; R506-T509 PolarHBondContact O-OG1 3.21Å; T509-K511 PolarHBondContact O-N 3.32Å
510	N	55.8	Low	80.6	Confident	161 Å²	161	59 Å²	59	86%	0.861	31%	0.314	S	S	*	.			trans	-60.4	18.1	165.1	-80.6	-10.2	0	0	0	113.6	S508 S512	S508-N510 PolarHBondContact O-N 3.42Å; N510-S512 PolarHBondContact O-N 3.26Å
511	K	54.6	Low	80.5	Confident	141 Å²	141	65.5 Å²	65.5	61%	0.613	34%	0.341	S	S	*	.			trans	-75	72.5	173.5	-66.7	-174.4	178.7	-178.3	0	108.9	T509 D513 V514	T509-K511 PolarHBondContact O-N 3.32Å; K511-D513 PolarHBondContact O-N 2.81Å; K511-V514 PolarHBondContact O-N 3.49Å
512	S	48.9	Very low	80.3	Confident	83 Å²	83	65.5 Å²	65.5	58%	0.58	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-19.9	163.7	46	0	0	0	0	112.5	N510 V514 N628	N510-S512 PolarHBondContact O-N 3.26Å; S512-V514 VanDerWaalsContact C-N 3.34Å; S512-V514 PolarHBondContact O-N 3.32Å; S512-N628 PolarHBondContact O-ND2 3.42Å; S512-N628 VanDerWaalsContact O-ND2 3.15Å
513	D	52.3	Low	80.2	Confident	111 Å²	111	66 Å²	66	59%	0.594	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.3	-174.8	-66.8	-13.2	0	0	0	116.2	K511	K511-D513 PolarHBondContact O-N 2.81Å
514	V	65	Low	80.2	Confident	73 Å²	73	71.9 Å²	71.9	44%	0.442	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-49.6	-173.9	-173.9	0	0	0	0	112.2	K511 S512 N628	K511-V514 PolarHBondContact O-N 3.49Å; S512-V514 VanDerWaalsContact C-N 3.34Å; S512-V514 PolarHBondContact O-N 3.32Å; V514-N628 PolarHBondContact O-N 3.25Å
515	S	75	Confident	80.3	Confident	17 Å²	17	71.1 Å²	71.1	12%	0.119	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	138.9	-172.9	62.8	0	0	0	0	112.6	L626	S515-L626 CarbonylContact C-O 3.54Å; S515-L626 WeakPolarHBondContact CA-O 3.35Å
516	T	83.2	Confident	80.4	Confident	61 Å²	61	69.7 Å²	69.7	37%	0.374	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.7	-179.2	-53.3	0	0	0	0	110.6	I518 L626 N628	T516-I518 HydrophobicContact CG2-CG2 4.29Å; T516-L626 PolarHBondContact N-O 3.42Å; T516-L626 PolarHBondContact O-N 3.42Å; T516-N628 PolarHBondContact OG1-ND2 2.97Å
517	L	88.5	Confident	80.6	Confident	66 Å²	66	69.7 Å²	69.7	35%	0.346	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	122.6	172.6	178.5	65	0	0	0	109.4	P475 N476 P623	P475-L517 HydrophobicContact CB-CD1 4.13Å; P475-L517 HydrophobicContact CG-CD1 3.53Å; N476-L517 HydrophobicContact CB-CD2 3.81Å; L517-P623 HydrophobicContact CD1-CB 4.21Å
518	I	90.3	Very high	81.1	Confident	42 Å²	42	64.4 Å²	64.4	22%	0.215	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154.8	177.3	59.9	171.7	0	0	0	110.8	T516 I520 L567 P623 Y624 L626	T516-I518 HydrophobicContact CG2-CG2 4.29Å; I518-I520 HydrophobicContact CD1-CD1 3.77Å; I518-I520 HydrophobicContact CD1-CG1 3.89Å; I518-I520 HydrophobicContact CG1-CD1 4.2Å; I518-I520 HydrophobicContact CG1-CG1 4.06Å; I518-L567 HydrophobicContact CD1-CD2 4.16Å; I518-P623 WeakPolarHBondContact O-CA 3.12Å; I518-Y624 HydrophobicContact CD1-CD1 4.26Å; I518-Y624 HydrophobicContact CG1-CD1 4.4Å; I518-Y624 WeakPolarHBondContact CG1-O 3.24Å; I518-Y624 PolarHBondContact N-O 3.16Å; I518-Y624 PolarHBondContact O-N 3.13Å; I518-L626 HydrophobicContact CD1-CB 4.32Å
519	Q	92.7	Very high	81.7	Confident	97 Å²	97	61.4 Å²	61.4	45%	0.453	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.7	174.4	-65.5	-64.8	-19.9	0	0	108.5	L621	Q519-L621 HydrophobicContact CB-CB 4.17Å; Q519-L621 HydrophobicContact CB-CD1 4.08Å
520	I	92.3	Very high	82.6	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.026	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.5	-171.6	-57.6	178.5	0	0	0	109.7	I518 T522 L566 L567 F578 M622 Y624	I518-I520 HydrophobicContact CD1-CD1 3.77Å; I518-I520 HydrophobicContact CD1-CG1 3.89Å; I518-I520 HydrophobicContact CG1-CD1 4.2Å; I518-I520 HydrophobicContact CG1-CG1 4.06Å; I520-T522 HydrophobicContact CB-CG2 4.47Å; I520-T522 HydrophobicContact CG2-CG2 4.05Å; I520-T522 PolarHBondContact O-N 3.24Å; I520-L566 HydrophobicContact CG2-CB 4.04Å; I520-L566 HydrophobicContact CG2-CD1 4.03Å; I520-L566 HydrophobicContact CG2-CD2 4.01Å; I520-L566 HydrophobicContact CG2-CG 4.25Å; I520-L567 HydrophobicContact CD1-CD2 3.96Å; I520-F578 HydrophobicContact CD1-CE2 3.72Å; I520-F578 HydrophobicContact CD1-CZ 4.46Å; I520-M622 HydrophobicContact CB-CB 4.48Å; I520-M622 HydrophobicContact CB-CE 4.37Å; I520-M622 HydrophobicContact CD1-CE 3.96Å; I520-M622 PolarHBondContact N-O 3.39Å; I520-M622 PolarHBondContact O-N 3.43Å; I520-Y624 HydrophobicContact CD1-CD1 4.23Å; I520-Y624 HydrophobicContact CD1-CG 4.15Å
521	K	92.3	Very high	84.3	Confident	141 Å²	141	56.8 Å²	56.8	61%	0.613	29%	0.292	S	S	*	.			trans	-81.2	110.9	169.8	-172.8	171.9	-176.6	177.3	0	109.3	N523 L566 L621	K521-N523 VanDerWaalsContact CE-OD1 3.31Å; K521-N523 WeakPolarHBondContact CE-OD1 3.22Å; K521-N523 WeakPolarHBondContact CG-OD1 3.17Å; K521-L566 VanDerWaalsContact O-CD2 3.3Å; K521-L566 WeakPolarHBondContact O-CD2 3.36Å; K521-L621 HydrophobicContact CB-CD2 3.85Å; K521-L621 HydrophobicContact CG-CD2 4.37Å
522	T	92	Very high	86.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.			trans	-97.2	2.4	-165.3	53.9	0	0	0	0	115	I520 E524 L525 L526 F582 W585 I619 M622	I520-T522 HydrophobicContact CB-CG2 4.47Å; I520-T522 HydrophobicContact CG2-CG2 4.05Å; I520-T522 PolarHBondContact O-N 3.24Å; T522-E524 PolarHBondContact O-N 3.47Å; T522-L525 PolarHBondContact O-N 2.92Å; T522-L525 VanDerWaalsContact O-N 3.12Å; T522-L526 WeakPolarHBondContact O-CB 3.37Å; T522-L526 PolarHBondContact O-N 3.31Å; T522-F582 HydrophobicContact CG2-CD2 4.02Å; T522-F582 HydrophobicContact CG2-CE2 4.03Å; T522-W585 HydrophobicContact CG2-CZ3 4.37Å; T522-W585 VanDerWaalsContact OG1-CZ3 3.3Å; T522-W585 WeakPolarHBondContact OG1-CZ3 3.3Å; T522-I619 WeakPolarHBondContact OG1-CG2 3.06Å; T522-M622 HydrophobicContact CG2-CB 3.65Å; T522-M622 HydrophobicContact CG2-CE 4.15Å; T522-M622 HydrophobicContact CG2-SD 4.13Å
523	N	92.1	Very high	88.2	Confident	27 Å²	27	47.3 Å²	47.3	14%	0.144	24%	0.241	C	C	.	.	H	α-helix	trans	-53	-50.4	-172	-54	60.7	0	0	0	113.3	K521 L525 L526 N527 N616 I619	K521-N523 VanDerWaalsContact CE-OD1 3.31Å; K521-N523 WeakPolarHBondContact CE-OD1 3.22Å; K521-N523 WeakPolarHBondContact CG-OD1 3.17Å; N523-L525 PolarHBondContact O-N 3.19Å; N523-L526 PolarHBondContact O-N 3.39Å; N523-N527 WeakPolarHBondContact O-CB 3.27Å; N523-N527 VanDerWaalsContact O-CG 3.27Å; N523-N527 PolarHBondContact O-N 2.94Å; N523-N527 PolarHBondContact O-ND2 3.13Å; N523-N616 PolarHBondContact ND2-O 3.02Å; N523-I619 HydrophobicContact CB-CD1 4.19Å
524	E	92.9	Very high	90	Very high	122 Å²	122	47.1 Å²	47.1	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-63.3	-42.1	-179.5	-68.3	-174.9	-172.9	0	0	112.1	T522 N527 A528 I562	T522-E524 PolarHBondContact O-N 3.47Å; E524-N527 PolarHBondContact O-N 2.87Å; E524-A528 WeakPolarHBondContact O-CB 3.4Å; E524-A528 PolarHBondContact O-N 3.1Å; E524-I562 HydrophobicContact CB-CG2 3.98Å
525	L	94.8	Very high	91.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-40.1	179.5	-178.1	59	0	0	0	111.5	T522 N523 A528 T529 M553 I559 I562 L566 F578 F582	T522-L525 PolarHBondContact O-N 2.92Å; T522-L525 VanDerWaalsContact O-N 3.12Å; N523-L525 PolarHBondContact O-N 3.19Å; L525-A528 PolarHBondContact O-N 2.8Å; L525-T529 WeakPolarHBondContact O-CB 3.38Å; L525-T529 PolarHBondContact O-N 3.02Å; L525-T529 PolarHBondContact O-OG1 2.82Å; L525-M553 HydrophobicContact CD1-CE 4.23Å; L525-I559 HydrophobicContact CD1-CG2 3.82Å; L525-I562 HydrophobicContact CB-CG2 4.06Å; L525-L566 HydrophobicContact CB-CD1 3.95Å; L525-L566 HydrophobicContact CD2-CD1 4.18Å; L525-F578 HydrophobicContact CD2-CE1 3.81Å; L525-F578 HydrophobicContact CD2-CZ 3.88Å; L525-F582 HydrophobicContact CB-CE2 4.42Å; L525-F582 HydrophobicContact CB-CZ 4.28Å; L525-F582 HydrophobicContact CD2-CD1 3.92Å; L525-F582 HydrophobicContact CD2-CD2 3.79Å; L525-F582 HydrophobicContact CD2-CE1 4.05Å; L525-F582 HydrophobicContact CD2-CE2 3.95Å; L525-F582 HydrophobicContact CD2-CG 3.77Å; L525-F582 HydrophobicContact CD2-CZ 4.07Å; L525-F582 HydrophobicContact CG-CD1 4.15Å; L525-F582 HydrophobicContact CG-CD2 4.38Å; L525-F582 HydrophobicContact CG-CE1 3.79Å; L525-F582 HydrophobicContact CG-CE2 4.05Å; L525-F582 HydrophobicContact CG-CG 4.42Å; L525-F582 HydrophobicContact CG-CZ 3.74Å
526	L	94.5	Very high	91.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-46.7	174.1	178.7	64	0	0	0	111.2	T522 N523 A528 T529 K530 F582 Y591 L592 I619	T522-L526 WeakPolarHBondContact O-CB 3.37Å; T522-L526 PolarHBondContact O-N 3.31Å; N523-L526 PolarHBondContact O-N 3.39Å; L526-A528 PolarHBondContact O-N 3.03Å; L526-T529 CarbonylContact O-C 3.59Å; L526-T529 WeakPolarHBondContact O-CB 3.25Å; L526-T529 PolarHBondContact O-N 3.25Å; L526-T529 VanDerWaalsContact O-N 3.12Å; L526-K530 HydrophobicContact CD1-CG 4.28Å; L526-K530 HydrophobicContact CG-CD 4.28Å; L526-K530 HydrophobicContact CG-CG 4.43Å; L526-K530 WeakPolarHBondContact O-CG 3.25Å; L526-K530 PolarHBondContact O-N 3.29Å; L526-F582 HydrophobicContact CB-CZ 4.2Å; L526-F582 HydrophobicContact CD1-CZ 4.47Å; L526-Y591 HydrophobicContact CD2-CD1 4.36Å; L526-Y591 HydrophobicContact CD2-CG 4.06Å; L526-L592 HydrophobicContact CD1-CD2 4.32Å; L526-L592 HydrophobicContact CD1-CG 4.29Å; L526-I619 HydrophobicContact CD2-CD1 3.58Å
527	N	93.2	Very high	91.9	Very high	74 Å²	74	47 Å²	47	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-44.7	178.5	-71.8	-17.7	0	0	0	111.7	N523 E524 T529 K530 Q531	N523-N527 WeakPolarHBondContact O-CB 3.27Å; N523-N527 VanDerWaalsContact O-CG 3.27Å; N523-N527 PolarHBondContact O-N 2.94Å; N523-N527 PolarHBondContact O-ND2 3.13Å; E524-N527 PolarHBondContact O-N 2.87Å; N527-T529 VanDerWaalsContact C-N 3.27Å; N527-T529 PolarHBondContact O-N 2.95Å; N527-K530 PolarHBondContact O-N 3.16Å; N527-Q531 PolarHBondContact O-N 3.12Å
528	A	95.1	Very high	91.5	Very high	9 Å²	9	49.1 Å²	49.1	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-35.1	174.7	0	0	0	0	0	112.4	E524 L525 L526 L532 I559 I562	E524-A528 WeakPolarHBondContact O-CB 3.4Å; E524-A528 PolarHBondContact O-N 3.1Å; L525-A528 PolarHBondContact O-N 2.8Å; L526-A528 PolarHBondContact O-N 3.03Å; A528-L532 WeakPolarHBondContact O-CB 3.47Å; A528-L532 PolarHBondContact O-N 2.99Å; A528-I559 HydrophobicContact CB-CG1 3.91Å; A528-I562 HydrophobicContact CB-CD1 3.78Å
529	T	95.2	Very high	91	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.5	-42.1	176.2	-56.3	0	0	0	0	111.8	L525 L526 N527 Q531 L532 L533 L549 M553 F582 I583 L592	L525-T529 WeakPolarHBondContact O-CB 3.38Å; L525-T529 PolarHBondContact O-N 3.02Å; L525-T529 PolarHBondContact O-OG1 2.82Å; L526-T529 CarbonylContact O-C 3.59Å; L526-T529 WeakPolarHBondContact O-CB 3.25Å; L526-T529 PolarHBondContact O-N 3.25Å; L526-T529 VanDerWaalsContact O-N 3.12Å; N527-T529 VanDerWaalsContact C-N 3.27Å; N527-T529 PolarHBondContact O-N 2.95Å; T529-Q531 VanDerWaalsContact C-N 3.34Å; T529-L532 WeakPolarHBondContact O-CB 3.5Å; T529-L532 PolarHBondContact O-N 3.28Å; T529-L533 HydrophobicContact CG2-CD1 4.5Å; T529-L533 WeakPolarHBondContact O-CG 3.4Å; T529-L533 PolarHBondContact O-N 3.3Å; T529-L549 HydrophobicContact CG2-CD1 4.45Å; T529-L549 HydrophobicContact CG2-CD2 4.47Å; T529-M553 HydrophobicContact CG2-CE 4.36Å; T529-M553 HydrophobicContact CG2-SD 4.22Å; T529-M553 WeakPolarHBondContact OG1-CE 3.42Å; T529-F582 HydrophobicContact CG2-CE1 4.42Å; T529-F582 WeakPolarHBondContact OG1-CE1 3.06Å; T529-I583 HydrophobicContact CG2-CD1 3.95Å; T529-L592 HydrophobicContact CG2-CD1 4.3Å
530	K	93	Very high	90.1	Very high	26 Å²	26	53.1 Å²	53.1	11%	0.113	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-43.4	174.6	-72.2	-178.6	176.8	-174.1	0	110.9	L526 N527 L533 F534 L592 N609 N616	L526-K530 HydrophobicContact CD1-CG 4.28Å; L526-K530 HydrophobicContact CG-CD 4.28Å; L526-K530 HydrophobicContact CG-CG 4.43Å; L526-K530 WeakPolarHBondContact O-CG 3.25Å; L526-K530 PolarHBondContact O-N 3.29Å; N527-K530 PolarHBondContact O-N 3.16Å; K530-L533 PolarHBondContact O-N 3.12Å; K530-F534 WeakPolarHBondContact O-CB 3.4Å; K530-F534 PolarHBondContact O-N 3.1Å; K530-L592 HydrophobicContact CG-CD2 4.38Å; K530-N609 WeakPolarHBondContact CD-OD1 3.35Å; K530-N609 WeakPolarHBondContact CE-OD1 3.49Å; K530-N609 WeakPolarHBondContact CG-OD1 3.47Å; K530-N616 PolarHBondContact NZ-OD1 2.68Å; K530-N616 VanDerWaalsContact NZ-OD1 3.12Å
531	Q	92	Very high	89.4	Confident	97 Å²	97	61.5 Å²	61.5	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-45	174.3	-171.9	63.7	29.1	0	0	111.4	N527 T529 L533 F534 D535	N527-Q531 PolarHBondContact O-N 3.12Å; T529-Q531 VanDerWaalsContact C-N 3.34Å; Q531-L533 VanDerWaalsContact C-N 3.31Å; Q531-L533 PolarHBondContact O-N 3.32Å; Q531-F534 WeakPolarHBondContact O-CB 3.28Å; Q531-F534 PolarHBondContact O-N 3.14Å; Q531-F534 VanDerWaalsContact O-N 3.16Å; Q531-D535 PolarHBondContact NE2-OD1 3.09Å; Q531-D535 WeakPolarHBondContact O-CB 3.35Å; Q531-D535 PolarHBondContact O-N 3.15Å
532	L	93.3	Very high	88.8	Confident	12 Å²	12	59.6 Å²	59.6	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-42.2	176.7	178	63.9	0	0	0	112.2	A528 T529 Q536 L549 L552 M553 I559	A528-L532 WeakPolarHBondContact O-CB 3.47Å; A528-L532 PolarHBondContact O-N 2.99Å; T529-L532 WeakPolarHBondContact O-CB 3.5Å; T529-L532 PolarHBondContact O-N 3.28Å; L532-Q536 HydrophobicContact CD1-CG 4.45Å; L532-Q536 VanDerWaalsContact O-CG 3.25Å; L532-Q536 WeakPolarHBondContact O-CG 3.42Å; L532-Q536 PolarHBondContact O-N 2.86Å; L532-L549 HydrophobicContact CD2-CD1 4.07Å; L532-L552 HydrophobicContact CD2-CB 3.96Å; L532-M553 HydrophobicContact CD2-CG 3.9Å; L532-I559 HydrophobicContact CB-CD1 4.45Å; L532-I559 HydrophobicContact CD2-CD1 3.78Å
533	L	92.6	Very high	88.6	Confident	13 Å²	13	64.7 Å²	64.7	7%	0.068	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-42.5	176	-73.1	167.6	0	0	0	111.7	T529 K530 Q531 S537 I544 L549 L592 V607	T529-L533 HydrophobicContact CG2-CD1 4.5Å; T529-L533 WeakPolarHBondContact O-CG 3.4Å; T529-L533 PolarHBondContact O-N 3.3Å; K530-L533 PolarHBondContact O-N 3.12Å; Q531-L533 VanDerWaalsContact C-N 3.31Å; Q531-L533 PolarHBondContact O-N 3.32Å; L533-S537 PolarHBondContact O-N 2.84Å; L533-S537 VanDerWaalsContact O-N 3.09Å; L533-I544 HydrophobicContact CD2-CB 4.24Å; L533-I544 HydrophobicContact CD2-CD1 3.83Å; L533-I544 HydrophobicContact CD2-CG1 4.23Å; L533-L549 HydrophobicContact CD2-CD1 3.99Å; L533-L549 HydrophobicContact CD2-CD2 4.3Å; L533-L549 HydrophobicContact CG-CD1 4.32Å; L533-L592 HydrophobicContact CD1-CD2 3.77Å; L533-V607 HydrophobicContact CD1-CG1 4.47Å; L533-V607 WeakPolarHBondContact CD2-O 3.23Å
534	F	89.9	Confident	88.7	Confident	108 Å²	108	63.9 Å²	63.9	47%	0.474	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-45.1	177.5	-179.6	-100	0	0	0	112.5	K530 Q531 Q536 S537 L538	K530-F534 WeakPolarHBondContact O-CB 3.4Å; K530-F534 PolarHBondContact O-N 3.1Å; Q531-F534 WeakPolarHBondContact O-CB 3.28Å; Q531-F534 PolarHBondContact O-N 3.14Å; Q531-F534 VanDerWaalsContact O-N 3.16Å; F534-Q536 VanDerWaalsContact C-N 3.31Å; F534-Q536 PolarHBondContact O-N 3.4Å; F534-S537 PolarHBondContact O-N 3.42Å; F534-S537 PolarHBondContact O-OG 3.41Å; F534-L538 HydrophobicContact CD1-CD1 3.95Å; F534-L538 HydrophobicContact CD2-CD1 4.44Å; F534-L538 HydrophobicContact CE1-CD1 3.28Å; F534-L538 HydrophobicContact CE1-CG 4.3Å; F534-L538 HydrophobicContact CE2-CD1 3.83Å; F534-L538 HydrophobicContact CE2-CG 4.26Å; F534-L538 HydrophobicContact CZ-CD1 3.22Å; F534-L538 HydrophobicContact CZ-CG 4.13Å; F534-L538 PolarHBondContact O-N 2.84Å
535	D	89.4	Confident	88.7	Confident	64 Å²	64	60.2 Å²	60.2	34%	0.342	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-39.1	179.9	-67.3	-17.1	0	0	0	111.4	Q531 T539	Q531-D535 PolarHBondContact NE2-OD1 3.09Å; Q531-D535 WeakPolarHBondContact O-CB 3.35Å; Q531-D535 PolarHBondContact O-N 3.15Å; D535-T539 WeakPolarHBondContact O-CB 3.25Å; D535-T539 PolarHBondContact O-N 3.08Å; D535-T539 PolarHBondContact O-OG1 3.44Å
536	Q	88.1	Confident	88.7	Confident	27 Å²	27	60.2 Å²	60.2	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-72.4	-37.6	178	-62.8	-68.1	-46.4	0	0	112.1	L532 F534 K540 Q541 I544 L552	L532-Q536 HydrophobicContact CD1-CG 4.45Å; L532-Q536 VanDerWaalsContact O-CG 3.25Å; L532-Q536 WeakPolarHBondContact O-CG 3.42Å; L532-Q536 PolarHBondContact O-N 2.86Å; F534-Q536 VanDerWaalsContact C-N 3.31Å; F534-Q536 PolarHBondContact O-N 3.4Å; Q536-K540 PolarHBondContact O-N 2.88Å; Q536-K540 VanDerWaalsContact O-N 3.12Å; Q536-Q541 PolarHBondContact O-N 3.1Å; Q536-I544 HydrophobicContact CB-CD1 3.55Å; Q536-I544 HydrophobicContact CB-CG1 4.07Å; Q536-I544 HydrophobicContact CG-CD1 3.53Å; Q536-I544 HydrophobicContact CG-CG1 4.47Å; Q536-L552 HydrophobicContact CG-CD1 4.1Å
537	S	84.9	Confident	88.5	Confident	57 Å²	57	62.6 Å²	62.6	40%	0.399	32%	0.316	S	S	.	.	H	α-helix	trans	-67.8	-39.4	178.4	73.8	0	0	0	0	112	L533 F534 Q541	L533-S537 PolarHBondContact O-N 2.84Å; L533-S537 VanDerWaalsContact O-N 3.09Å; F534-S537 PolarHBondContact O-N 3.42Å; F534-S537 PolarHBondContact O-OG 3.41Å; S537-Q541 WeakPolarHBondContact O-CA 3.47Å; S537-Q541 PolarHBondContact O-N 3.37Å
538	L	81.7	Confident	88.5	Confident	110 Å²	110	63.7 Å²	63.7	58%	0.576	32%	0.317	S	S	*	.	H	α-helix	trans	-76.9	-50.4	176.7	-74.6	-176.3	0	0	0	113.1	F534	F534-L538 HydrophobicContact CD1-CD1 3.95Å; F534-L538 HydrophobicContact CD2-CD1 4.44Å; F534-L538 HydrophobicContact CE1-CD1 3.28Å; F534-L538 HydrophobicContact CE1-CG 4.3Å; F534-L538 HydrophobicContact CE2-CD1 3.83Å; F534-L538 HydrophobicContact CE2-CG 4.26Å; F534-L538 HydrophobicContact CZ-CD1 3.22Å; F534-L538 HydrophobicContact CZ-CG 4.13Å; F534-L538 PolarHBondContact O-N 2.84Å
539	T	78.2	Confident	88.6	Confident	116 Å²	116	63.3 Å²	63.3	71%	0.712	31%	0.314	S	S	*	.	H	α-helix	trans	-75.2	-35.9	-168.6	-48.3	0	0	0	0	111.8	D535	D535-T539 WeakPolarHBondContact O-CB 3.25Å; D535-T539 PolarHBondContact O-N 3.08Å; D535-T539 PolarHBondContact O-OG1 3.44Å
540	K	75.2	Confident	88.5	Confident	108 Å²	108	63.3 Å²	63.3	47%	0.47	31%	0.314	S	S	.	.	H	α-helix	trans	-113.9	-7.3	-175.3	-61.9	-170.9	-175.9	171.6	0	114.2	Q536 E542	Q536-K540 PolarHBondContact O-N 2.88Å; Q536-K540 VanDerWaalsContact O-N 3.12Å; K540-E542 HydrophobicContact CB-CB 4.05Å; K540-E542 HydrophobicContact CB-CG 3.89Å; K540-E542 PolarHBondContact O-N 2.93Å; K540-E542 VanDerWaalsContact O-N 3.14Å
541	Q	77.2	Confident	88.5	Confident	181 Å²	181	65.2 Å²	65.2	85%	0.846	33%	0.325	S	S	*	.			trans	54.4	28.1	-170.8	-58	-177.4	-8.6	0	0	112.4	Q536 S537	Q536-Q541 PolarHBondContact O-N 3.1Å; S537-Q541 WeakPolarHBondContact O-CA 3.47Å; S537-Q541 PolarHBondContact O-N 3.37Å
542	E	80.4	Confident	88.6	Confident	101 Å²	101	62.1 Å²	62.1	47%	0.472	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-103.6	129.8	-176.7	-76.8	179.6	-179.5	0	0	110.5	K540	K540-E542 HydrophobicContact CB-CB 4.05Å; K540-E542 HydrophobicContact CB-CG 3.89Å; K540-E542 PolarHBondContact O-N 2.93Å; K540-E542 VanDerWaalsContact O-N 3.14Å
543	R	87.2	Confident	88.7	Confident	106 Å²	106	61.5 Å²	61.5	40%	0.4	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-83.4	139.3	164.8	-67.7	-178	-70.6	175	-3.1	109.5	D595 H597 Y606	R543-D595 IonicContact NH1-OD2 2.83Å; R543-D595 PolarHBondContact NH1-OD2 3.5Å; R543-H597 VanDerWaalsContact NH2-CG 3.29Å; R543-H597 PolarHBondContact NH2-ND1 2.99Å; R543-Y606 HydrophobicContact CB-CD1 3.49Å; R543-Y606 VanDerWaalsContact CB-CD1 3.49Å; R543-Y606 HydrophobicContact CB-CD2 4.17Å; R543-Y606 HydrophobicContact CB-CE1 3.74Å; R543-Y606 HydrophobicContact CB-CE2 4.39Å; R543-Y606 HydrophobicContact CB-CG 3.71Å; R543-Y606 WeakPolarHBondContact O-CD1 3.49Å; R543-Y606 WeakPolarHBondContact O-CE1 3.4Å
544	I	93.2	Very high	88.7	Confident	10 Å²	10	63.2 Å²	63.2	5%	0.051	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.7	-171.1	-43.8	-171.9	0	0	0	111.1	L533 Q536 K548 L549 L552 Y606 V607	L533-I544 HydrophobicContact CD2-CB 4.24Å; L533-I544 HydrophobicContact CD2-CD1 3.83Å; L533-I544 HydrophobicContact CD2-CG1 4.23Å; Q536-I544 HydrophobicContact CB-CD1 3.55Å; Q536-I544 HydrophobicContact CB-CG1 4.07Å; Q536-I544 HydrophobicContact CG-CD1 3.53Å; Q536-I544 HydrophobicContact CG-CG1 4.47Å; I544-K548 HydrophobicContact CG2-CB 3.86Å; I544-K548 HydrophobicContact CG2-CG 3.84Å; I544-L549 HydrophobicContact CG2-CB 3.84Å; I544-L552 HydrophobicContact CD1-CD1 3.74Å; I544-L552 HydrophobicContact CG2-CD1 4.1Å; I544-Y606 CarbonylContact O-C 3.59Å; I544-Y606 WeakPolarHBondContact O-CA 3.44Å; I544-V607 PolarHBondContact O-N 3.18Å
545	T	94	Very high	88.8	Confident	46 Å²	46	62.9 Å²	62.9	28%	0.282	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	156.3	170.7	63.1	0	0	0	0	110.7	K548 L549 V604 Y606	T545-K548 PolarHBondContact O-N 2.81Å; T545-K548 VanDerWaalsContact O-N 3.1Å; T545-K548 WeakPolarHBondContact OG1-CB 3.35Å; T545-L549 PolarHBondContact O-N 2.62Å; T545-V604 HydrophobicContact CG2-CG1 4.21Å; T545-Y606 HydrophobicContact CG2-CD1 3.86Å; T545-Y606 HydrophobicContact CG2-CE1 3.87Å
546	G	93.6	Very high	89	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-48.1	-56.1	177.3	0	0	0	0	0	114.5	K548 L549 I550	G546-K548 VanDerWaalsContact C-N 3.29Å; G546-K548 PolarHBondContact O-N 2.88Å; G546-L549 WeakPolarHBondContact O-CB 3.48Å; G546-L549 PolarHBondContact O-N 3.12Å; G546-L549 VanDerWaalsContact O-N 3.12Å; G546-I550 WeakPolarHBondContact O-CG1 3.46Å; G546-I550 PolarHBondContact O-N 3.44Å; G546-I550 VanDerWaalsContact O-N 3.1Å
547	P	92	Very high	89.2	Confident	49 Å²	49	69 Å²	69	32%	0.318	36%	0.355	S	S	.	.	H	α-helix	trans	-57.3	-40.1	178.5	-27.6	36.2	0	0	0	113.4	I550 D551	P547-I550 PolarHBondContact O-N 3.32Å; P547-D551 PolarHBondContact O-N 3.36Å; P547-D551 VanDerWaalsContact O-N 3.12Å
548	K	93.1	Very high	89.6	Confident	98 Å²	98	72.2 Å²	72.2	43%	0.426	36%	0.364	S	S	.	.	H	α-helix	trans	-67.6	-36.6	178	-176.8	60.5	175.4	-177.5	0	111.9	I544 T545 G546 I550 D551 L552	I544-K548 HydrophobicContact CG2-CB 3.86Å; I544-K548 HydrophobicContact CG2-CG 3.84Å; T545-K548 PolarHBondContact O-N 2.81Å; T545-K548 VanDerWaalsContact O-N 3.1Å; T545-K548 WeakPolarHBondContact OG1-CB 3.35Å; G546-K548 VanDerWaalsContact C-N 3.29Å; G546-K548 PolarHBondContact O-N 2.88Å; K548-I550 VanDerWaalsContact C-N 3.34Å; K548-D551 PolarHBondContact O-N 2.92Å; K548-L552 HydrophobicContact CG-CD1 4.33Å; K548-L552 WeakPolarHBondContact O-CG 3.37Å; K548-L552 PolarHBondContact O-N 3.17Å
549	L	95.5	Very high	90.3	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-44.9	174.8	-180	58.8	0	0	0	110.5	T529 L532 L533 I544 T545 G546 D551 L552 M553 I583 V607	T529-L549 HydrophobicContact CG2-CD1 4.45Å; T529-L549 HydrophobicContact CG2-CD2 4.47Å; L532-L549 HydrophobicContact CD2-CD1 4.07Å; L533-L549 HydrophobicContact CD2-CD1 3.99Å; L533-L549 HydrophobicContact CD2-CD2 4.3Å; L533-L549 HydrophobicContact CG-CD1 4.32Å; I544-L549 HydrophobicContact CG2-CB 3.84Å; T545-L549 PolarHBondContact O-N 2.62Å; G546-L549 WeakPolarHBondContact O-CB 3.48Å; G546-L549 PolarHBondContact O-N 3.12Å; G546-L549 VanDerWaalsContact O-N 3.12Å; L549-D551 VanDerWaalsContact C-N 3.32Å; L549-D551 PolarHBondContact O-N 3.13Å; L549-L552 PolarHBondContact O-N 2.99Å; L549-M553 HydrophobicContact CD1-CG 4.15Å; L549-M553 HydrophobicContact CD1-SD 4.35Å; L549-M553 HydrophobicContact CG-CG 4.36Å; L549-M553 HydrophobicContact CG-SD 4.09Å; L549-M553 WeakPolarHBondContact O-CB 3.45Å; L549-M553 VanDerWaalsContact O-CG 3.25Å; L549-M553 WeakPolarHBondContact O-CG 3.27Å; L549-M553 PolarHBondContact O-N 3.14Å; L549-I583 HydrophobicContact CD2-CD1 3.68Å; L549-I583 HydrophobicContact CD2-CG1 4.19Å; L549-I583 HydrophobicContact CD2-CG2 4.48Å; L549-I583 HydrophobicContact CG-CD1 4.39Å; L549-V607 HydrophobicContact CD2-CB 4.09Å; L549-V607 HydrophobicContact CD2-CG1 3.84Å; L549-V607 HydrophobicContact CD2-CG2 4.45Å
550	I	94.5	Very high	91	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-42.2	176.2	-59.3	-58.5	0	0	0	111.6	F445 G546 P547 K548 M553 T554 R576 Y579 E580 I583	F445-I550 HydrophobicContact CD1-CG1 3.98Å; F445-I550 HydrophobicContact CE1-CD1 3.98Å; F445-I550 HydrophobicContact CE1-CG1 3.38Å; F445-I550 HydrophobicContact CZ-CD1 3.96Å; F445-I550 HydrophobicContact CZ-CG1 3.87Å; G546-I550 WeakPolarHBondContact O-CG1 3.46Å; G546-I550 PolarHBondContact O-N 3.44Å; G546-I550 VanDerWaalsContact O-N 3.1Å; P547-I550 PolarHBondContact O-N 3.32Å; K548-I550 VanDerWaalsContact C-N 3.34Å; I550-M553 PolarHBondContact O-N 3.46Å; I550-T554 VanDerWaalsContact O-CB 3.31Å; I550-T554 WeakPolarHBondContact O-CB 3.41Å; I550-T554 PolarHBondContact O-N 3.17Å; I550-T554 PolarHBondContact O-OG1 2.99Å; I550-R576 HydrophobicContact CG2-CG 3.59Å; I550-R576 VanDerWaalsContact CG2-CZ 3.49Å; I550-Y579 WeakPolarHBondContact CD1-O 3.47Å; I550-E580 HydrophobicContact CD1-CG 4.12Å; I550-E580 HydrophobicContact CG1-CG 4.08Å; I550-E580 HydrophobicContact CG2-CG 4.18Å; I550-I583 HydrophobicContact CD1-CB 4.26Å; I550-I583 HydrophobicContact CD1-CG1 3.74Å
551	D	93.4	Very high	91.8	Very high	66 Å²	66	60.4 Å²	60.4	35%	0.353	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-45.1	177	-62.3	-20.5	0	0	0	111.4	P547 K548 L549 T554 C555 R576	P547-D551 PolarHBondContact O-N 3.36Å; P547-D551 VanDerWaalsContact O-N 3.12Å; K548-D551 PolarHBondContact O-N 2.92Å; L549-D551 VanDerWaalsContact C-N 3.32Å; L549-D551 PolarHBondContact O-N 3.13Å; D551-T554 PolarHBondContact O-N 2.74Å; D551-C555 PolarHBondContact O-N 3.02Å; D551-C555 VanDerWaalsContact O-N 3.1Å; D551-C555 PolarHBondContact O-SG 3.14Å; D551-R576 IonicContact OD1-CZ 2.71Å; D551-R576 IonicContact OD1-NH1 2.61Å; D551-R576 PolarHBondContact OD1-NH1 3.01Å; D551-R576 IonicContact OD1-NH2 2.91Å; D551-R576 PolarHBondContact OD1-NH2 2.99Å
552	L	94	Very high	92.5	Very high	32 Å²	32	52.7 Å²	52.7	17%	0.168	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-43.8	178	-69.6	171	0	0	0	112.1	L532 Q536 I544 K548 L549 T554 C555 N556	L532-L552 HydrophobicContact CD2-CB 3.96Å; Q536-L552 HydrophobicContact CG-CD1 4.1Å; I544-L552 HydrophobicContact CD1-CD1 3.74Å; I544-L552 HydrophobicContact CG2-CD1 4.1Å; K548-L552 HydrophobicContact CG-CD1 4.33Å; K548-L552 WeakPolarHBondContact O-CG 3.37Å; K548-L552 PolarHBondContact O-N 3.17Å; L549-L552 PolarHBondContact O-N 2.99Å; L552-T554 VanDerWaalsContact C-N 3.33Å; L552-T554 PolarHBondContact O-N 3.01Å; L552-C555 PolarHBondContact O-N 2.92Å; L552-N556 WeakPolarHBondContact O-CB 3.38Å; L552-N556 PolarHBondContact O-N 3.26Å
553	M	95.4	Very high	93.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-42.6	175.5	-70.3	-177.7	77.1	0	0	111.5	L525 T529 L532 L549 I550 C555 N556 I559 Y579 F582 I583	L525-M553 HydrophobicContact CD1-CE 4.23Å; T529-M553 HydrophobicContact CG2-CE 4.36Å; T529-M553 HydrophobicContact CG2-SD 4.22Å; T529-M553 WeakPolarHBondContact OG1-CE 3.42Å; L532-M553 HydrophobicContact CD2-CG 3.9Å; L549-M553 HydrophobicContact CD1-CG 4.15Å; L549-M553 HydrophobicContact CD1-SD 4.35Å; L549-M553 HydrophobicContact CG-CG 4.36Å; L549-M553 HydrophobicContact CG-SD 4.09Å; L549-M553 WeakPolarHBondContact O-CB 3.45Å; L549-M553 VanDerWaalsContact O-CG 3.25Å; L549-M553 WeakPolarHBondContact O-CG 3.27Å; L549-M553 PolarHBondContact O-N 3.14Å; I550-M553 PolarHBondContact O-N 3.46Å; M553-C555 PolarHBondContact O-N 2.74Å; M553-N556 PolarHBondContact O-N 3.05Å; M553-I559 HydrophobicContact CB-CD1 4.35Å; M553-I559 HydrophobicContact CB-CG2 4.19Å; M553-I559 HydrophobicContact CE-CD1 4.4Å; M553-I559 HydrophobicContact CE-CG2 4.07Å; M553-I559 HydrophobicContact CG-CD1 3.95Å; M553-Y579 HydrophobicContact CB-CD1 4.36Å; M553-Y579 HydrophobicContact CB-CG 4.41Å; M553-Y579 HydrophobicContact CE-CD1 3.77Å; M553-Y579 HydrophobicContact CE-CE1 4.36Å; M553-F582 HydrophobicContact CE-CD1 3.83Å; M553-F582 HydrophobicContact CE-CE1 3.88Å; M553-I583 HydrophobicContact CE-CD1 4.41Å; M553-I583 HydrophobicContact SD-CD1 3.74Å; M553-I583 HydrophobicContact SD-CG1 3.92Å
554	T	92.3	Very high	93.3	Very high	49 Å²	49	45.1 Å²	45.1	30%	0.301	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-27.7	178.4	-56.5	0	0	0	0	111.9	I550 D551 L552 Q560	I550-T554 VanDerWaalsContact O-CB 3.31Å; I550-T554 WeakPolarHBondContact O-CB 3.41Å; I550-T554 PolarHBondContact O-N 3.17Å; I550-T554 PolarHBondContact O-OG1 2.99Å; D551-T554 PolarHBondContact O-N 2.74Å; L552-T554 VanDerWaalsContact C-N 3.33Å; L552-T554 PolarHBondContact O-N 3.01Å; T554-Q560 PolarHBondContact O-NE2 3.32Å
555	C	91.9	Very high	93.1	Very high	101 Å²	101	51.3 Å²	51.3	68%	0.682	27%	0.265	S	S	*	.	H	α-helix	trans	-93.5	-14.3	177.5	-68	0	0	0	0	114.3	D551 L552 M553 K557	D551-C555 PolarHBondContact O-N 3.02Å; D551-C555 VanDerWaalsContact O-N 3.1Å; D551-C555 PolarHBondContact O-SG 3.14Å; L552-C555 PolarHBondContact O-N 2.92Å; M553-C555 PolarHBondContact O-N 2.74Å; C555-K557 PolarHBondContact O-N 3.1Å
556	N	93.5	Very high	93	Very high	43 Å²	43	51 Å²	51	23%	0.23	26%	0.261	C	S	.	.			trans	-81.1	116.7	-175.4	-177.5	-55.7	0	0	0	111.5	L552 M553 Q558 I559 Q560	L552-N556 WeakPolarHBondContact O-CB 3.38Å; L552-N556 PolarHBondContact O-N 3.26Å; M553-N556 PolarHBondContact O-N 3.05Å; N556-Q558 PolarHBondContact O-N 3.34Å; N556-Q558 WeakPolarHBondContact OD1-CB 3.35Å; N556-Q558 PolarHBondContact OD1-N 3.46Å; N556-I559 HydrophobicContact CB-CB 4.06Å; N556-I559 HydrophobicContact CB-CD1 4.08Å; N556-I559 HydrophobicContact CB-CG1 4.21Å; N556-I559 PolarHBondContact O-N 3.04Å; N556-I559 PolarHBondContact OD1-N 3.39Å; N556-Q560 WeakPolarHBondContact O-CG 3.39Å; N556-Q560 PolarHBondContact O-N 3.46Å
557	K	92.3	Very high	92.7	Very high	177 Å²	177	51.4 Å²	51.4	77%	0.77	26%	0.263	S	S	*	.	H	α-helix	trans	-62.4	-37.2	-176.6	-68.6	-175.2	178.6	179.5	0	113.7	C555 S561	C555-K557 PolarHBondContact O-N 3.1Å; K557-S561 PolarHBondContact O-N 3.33Å
558	Q	93.8	Very high	92.2	Very high	124 Å²	124	55.9 Å²	55.9	58%	0.579	29%	0.285	S	S	*	.	H	α-helix	trans	-66.6	-47.7	178.3	179.1	-176.1	-9.5	0	0	110.4	N556 Q560 S561 I562	N556-Q558 PolarHBondContact O-N 3.34Å; N556-Q558 WeakPolarHBondContact OD1-CB 3.35Å; N556-Q558 PolarHBondContact OD1-N 3.46Å; Q558-Q560 VanDerWaalsContact C-N 3.33Å; Q558-Q560 PolarHBondContact O-N 3.45Å; Q558-S561 PolarHBondContact O-N 2.96Å; Q558-I562 HydrophobicContact CG-CD1 4.02Å; Q558-I562 WeakPolarHBondContact O-CG1 3.29Å; Q558-I562 PolarHBondContact O-N 3.2Å
559	I	94.9	Very high	91.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-42.2	176.9	-71.1	179.1	0	0	0	111.1	L525 A528 L532 M553 N556 S561 I562 S563 Y579	L525-I559 HydrophobicContact CD1-CG2 3.82Å; A528-I559 HydrophobicContact CB-CG1 3.91Å; L532-I559 HydrophobicContact CB-CD1 4.45Å; L532-I559 HydrophobicContact CD2-CD1 3.78Å; M553-I559 HydrophobicContact CB-CD1 4.35Å; M553-I559 HydrophobicContact CB-CG2 4.19Å; M553-I559 HydrophobicContact CE-CD1 4.4Å; M553-I559 HydrophobicContact CE-CG2 4.07Å; M553-I559 HydrophobicContact CG-CD1 3.95Å; N556-I559 HydrophobicContact CB-CB 4.06Å; N556-I559 HydrophobicContact CB-CD1 4.08Å; N556-I559 HydrophobicContact CB-CG1 4.21Å; N556-I559 PolarHBondContact O-N 3.04Å; N556-I559 PolarHBondContact OD1-N 3.39Å; I559-S561 PolarHBondContact O-N 3.41Å; I559-I562 PolarHBondContact O-N 2.71Å; I559-S563 VanDerWaalsContact O-CB 3.23Å; I559-S563 WeakPolarHBondContact O-CB 3.35Å; I559-S563 PolarHBondContact O-N 3.15Å; I559-S563 PolarHBondContact O-OG 3.39Å; I559-Y579 HydrophobicContact CG2-CD1 4.45Å; I559-Y579 HydrophobicContact CG2-CE1 3.65Å
560	Q	92.9	Very high	89.2	Confident	33 Å²	33	60.7 Å²	60.7	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-58.3	-47.7	174.3	-73.8	173.3	19	0	0	111.8	T554 N556 Q558 S563 Q564	T554-Q560 PolarHBondContact O-NE2 3.32Å; N556-Q560 WeakPolarHBondContact O-CG 3.39Å; N556-Q560 PolarHBondContact O-N 3.46Å; Q558-Q560 VanDerWaalsContact C-N 3.33Å; Q558-Q560 PolarHBondContact O-N 3.45Å; Q560-S563 PolarHBondContact O-N 3.22Å; Q560-Q564 VanDerWaalsContact O-CG 3.31Å; Q560-Q564 WeakPolarHBondContact O-CG 3.47Å; Q560-Q564 PolarHBondContact O-N 3.04Å
561	S	91.5	Very high	87.4	Confident	52 Å²	52	69.6 Å²	69.6	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-62.8	-44.6	-179.4	-176	0	0	0	0	112.4	K557 Q558 I559 S563 Q564 K565	K557-S561 PolarHBondContact O-N 3.33Å; Q558-S561 PolarHBondContact O-N 2.96Å; I559-S561 PolarHBondContact O-N 3.41Å; S561-S563 VanDerWaalsContact C-N 3.33Å; S561-S563 PolarHBondContact O-N 2.9Å; S561-Q564 PolarHBondContact O-N 3.09Å; S561-K565 WeakPolarHBondContact O-CG 3.47Å; S561-K565 PolarHBondContact O-N 3.22Å
562	I	93.2	Very high	86.3	Confident	18 Å²	18	71.8 Å²	71.8	9%	0.092	36%	0.363	C	S	.	.	H	α-helix	trans	-59.8	-47.4	175.2	-66.4	166.5	0	0	0	109.9	E524 L525 A528 Q558 I559 Q564 K565 L566	E524-I562 HydrophobicContact CB-CG2 3.98Å; L525-I562 HydrophobicContact CB-CG2 4.06Å; A528-I562 HydrophobicContact CB-CD1 3.78Å; Q558-I562 HydrophobicContact CG-CD1 4.02Å; Q558-I562 WeakPolarHBondContact O-CG1 3.29Å; Q558-I562 PolarHBondContact O-N 3.2Å; I559-I562 PolarHBondContact O-N 2.71Å; I562-Q564 PolarHBondContact O-N 2.93Å; I562-K565 WeakPolarHBondContact O-CB 3.44Å; I562-K565 PolarHBondContact O-N 2.89Å; I562-L566 HydrophobicContact CG2-CD1 3.99Å; I562-L566 HydrophobicContact CG2-CG 4.38Å; I562-L566 WeakPolarHBondContact O-CG 3.48Å; I562-L566 PolarHBondContact O-N 2.71Å
563	S	92.8	Very high	85.3	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-66.2	-36.3	-176.6	-59	0	0	0	0	112.9	I559 Q560 S561 L566 L567 P574 Y579	I559-S563 VanDerWaalsContact O-CB 3.23Å; I559-S563 WeakPolarHBondContact O-CB 3.35Å; I559-S563 PolarHBondContact O-N 3.15Å; I559-S563 PolarHBondContact O-OG 3.39Å; Q560-S563 PolarHBondContact O-N 3.22Å; S561-S563 VanDerWaalsContact C-N 3.33Å; S561-S563 PolarHBondContact O-N 2.9Å; S563-L566 PolarHBondContact O-N 3.41Å; S563-L567 WeakPolarHBondContact O-CB 3.14Å; S563-L567 WeakPolarHBondContact O-CG 3.29Å; S563-L567 PolarHBondContact O-N 3.32Å; S563-P574 VanDerWaalsContact CB-CG 3.48Å; S563-Y579 WeakPolarHBondContact OG-CE1 3.39Å
564	Q	90.7	Very high	84.6	Confident	48 Å²	48	78.3 Å²	78.3	22%	0.224	39%	0.391	C	S	.	.	H	α-helix	trans	-62.4	-43.4	173.8	-77.6	176.2	-32.8	0	0	112.2	Q560 S561 I562 L567 N568 K569 E572 P574	Q560-Q564 VanDerWaalsContact O-CG 3.31Å; Q560-Q564 WeakPolarHBondContact O-CG 3.47Å; Q560-Q564 PolarHBondContact O-N 3.04Å; S561-Q564 PolarHBondContact O-N 3.09Å; I562-Q564 PolarHBondContact O-N 2.93Å; Q564-L567 PolarHBondContact O-N 2.89Å; Q564-N568 PolarHBondContact O-N 3.28Å; Q564-K569 PolarHBondContact O-N 2.98Å; Q564-K569 VanDerWaalsContact O-N 3.11Å; Q564-E572 PolarHBondContact NE2-O 3.49Å; Q564-E572 VanDerWaalsContact NE2-O 3.08Å; Q564-P574 HydrophobicContact CG-CG 4.13Å
565	K	90.5	Very high	84.3	Confident	140 Å²	140	80.4 Å²	80.4	61%	0.609	40%	0.397	S	S	*	.	H	α-helix	trans	-61.7	-46.4	174.7	-67.5	175.3	-175.9	-179.2	0	111.1	S561 I562 L567 N568	S561-K565 WeakPolarHBondContact O-CG 3.47Å; S561-K565 PolarHBondContact O-N 3.22Å; I562-K565 WeakPolarHBondContact O-CB 3.44Å; I562-K565 PolarHBondContact O-N 2.89Å; K565-L567 VanDerWaalsContact C-N 3.28Å; K565-L567 PolarHBondContact O-N 3.26Å; K565-N568 PolarHBondContact O-N 3.22Å; K565-N568 PolarHBondContact O-OD1 2.89Å
566	L	90.1	Very high	84.2	Confident	40 Å²	40	79.9 Å²	79.9	21%	0.209	38%	0.381	C	S	.	.	H	α-helix	trans	-62.8	-32.2	179.8	-70.3	176.6	0	0	0	113.4	I520 K521 L525 I562 S563	I520-L566 HydrophobicContact CG2-CB 4.04Å; I520-L566 HydrophobicContact CG2-CD1 4.03Å; I520-L566 HydrophobicContact CG2-CD2 4.01Å; I520-L566 HydrophobicContact CG2-CG 4.25Å; K521-L566 VanDerWaalsContact O-CD2 3.3Å; K521-L566 WeakPolarHBondContact O-CD2 3.36Å; L525-L566 HydrophobicContact CB-CD1 3.95Å; L525-L566 HydrophobicContact CD2-CD1 4.18Å; I562-L566 HydrophobicContact CG2-CD1 3.99Å; I562-L566 HydrophobicContact CG2-CG 4.38Å; I562-L566 WeakPolarHBondContact O-CG 3.48Å; I562-L566 PolarHBondContact O-N 2.71Å; S563-L566 PolarHBondContact O-N 3.41Å
567	L	87.5	Confident	84.1	Confident	8 Å²	8	80.8 Å²	80.8	4%	0.042	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	0.8	179.9	-64.9	175.5	0	0	0	113.6	I518 I520 S563 Q564 K565 K569 P574 F578 Y624 L626	I518-L567 HydrophobicContact CD1-CD2 4.16Å; I520-L567 HydrophobicContact CD1-CD2 3.96Å; S563-L567 WeakPolarHBondContact O-CB 3.14Å; S563-L567 WeakPolarHBondContact O-CG 3.29Å; S563-L567 PolarHBondContact O-N 3.32Å; Q564-L567 PolarHBondContact O-N 2.89Å; K565-L567 VanDerWaalsContact C-N 3.28Å; K565-L567 PolarHBondContact O-N 3.26Å; L567-K569 HydrophobicContact CB-CB 4.42Å; L567-K569 HydrophobicContact CB-CG 4.32Å; L567-K569 PolarHBondContact O-N 3.49Å; L567-K569 VanDerWaalsContact O-N 3.11Å; L567-P574 HydrophobicContact CD1-CB 3.93Å; L567-P574 HydrophobicContact CD1-CG 4.32Å; L567-F578 HydrophobicContact CD1-CD1 4.19Å; L567-F578 HydrophobicContact CD1-CD2 4.14Å; L567-F578 HydrophobicContact CD1-CE1 4.46Å; L567-F578 HydrophobicContact CD1-CE2 4.42Å; L567-F578 HydrophobicContact CD1-CG 4.02Å; L567-F578 HydrophobicContact CD2-CD2 3.87Å; L567-F578 HydrophobicContact CD2-CE2 3.77Å; L567-F578 HydrophobicContact CD2-CZ 4.38Å; L567-F578 HydrophobicContact CG-CD2 4.4Å; L567-F578 HydrophobicContact CG-CE2 4.26Å; L567-F578 HydrophobicContact CG-CZ 4.42Å; L567-Y624 HydrophobicContact CD2-CD1 4.09Å; L567-Y624 HydrophobicContact CD2-CE1 4.09Å; L567-L626 HydrophobicContact CD2-CD1 4.17Å
568	N	81.9	Confident	84.1	Confident	144 Å²	144	72.4 Å²	72.4	77%	0.77	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	30.2	-171.5	-65.7	-28.1	0	0	0	113.4	Q564 K565	Q564-N568 PolarHBondContact O-N 3.28Å; K565-N568 PolarHBondContact O-N 3.22Å; K565-N568 PolarHBondContact O-OD1 2.89Å
569	K	69.7	Low	84.2	Confident	48 Å²	48	66.5 Å²	66.5	21%	0.209	32%	0.32	C	S	.	.			trans	-105.4	93.5	179	-75.6	-168.1	169.4	-156.4	0	109.3	Q564 L567 Q571 E572	Q564-K569 PolarHBondContact O-N 2.98Å; Q564-K569 VanDerWaalsContact O-N 3.11Å; L567-K569 HydrophobicContact CB-CB 4.42Å; L567-K569 HydrophobicContact CB-CG 4.32Å; L567-K569 PolarHBondContact O-N 3.49Å; L567-K569 VanDerWaalsContact O-N 3.11Å; K569-Q571 VanDerWaalsContact C-N 3.27Å; K569-Q571 PolarHBondContact O-N 3.44Å; K569-E572 HydrophobicContact CD-CB 4.23Å; K569-E572 IonicContact NZ-OE2 2.78Å; K569-E572 PolarHBondContact NZ-OE2 3.35Å
570	N	56.7	Low	84.2	Confident	151 Å²	151	67.6 Å²	67.6	81%	0.807	33%	0.325	S	S	*	.	S	Bend	trans	-66.4	-19.7	-173.9	-75.8	-14.2	0	0	0	114.9
571	Q	56.1	Low	84.3	Confident	186 Å²	186	67.2 Å²	67.2	87%	0.869	32%	0.323	S	S	*	.	S	Bend	trans	-131.6	-16.8	-172.7	-68.4	-174.6	-13.6	0	0	115.4	K569	K569-Q571 VanDerWaalsContact C-N 3.27Å; K569-Q571 PolarHBondContact O-N 3.44Å
572	E	70.7	Confident	84.5	Confident	113 Å²	113	64.7 Å²	64.7	53%	0.528	31%	0.305	S	S	.	.	S	Bend	trans	-91.9	138.1	-179	-67.9	-174.3	160.9	0	0	110.9	Q564 K569	Q564-E572 PolarHBondContact NE2-O 3.49Å; Q564-E572 VanDerWaalsContact NE2-O 3.08Å; K569-E572 HydrophobicContact CD-CB 4.23Å; K569-E572 IonicContact NZ-OE2 2.78Å; K569-E572 PolarHBondContact NZ-OE2 3.35Å
573	K	73.9	Confident	84.7	Confident	156 Å²	156	63.9 Å²	63.9	68%	0.678	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-66.2	133.4	167.9	-73.4	-177.8	178.6	176.6	0	108.4	E575	K573-E575 PolarHBondContact O-N 2.93Å
574	P	79.9	Confident	84.9	Confident	12 Å²	12	63.9 Å²	63.9	8%	0.078	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-54	136.6	173.1	-22.9	31.1	0	0	0	110.6	S563 Q564 L567 F578 Y579	S563-P574 VanDerWaalsContact CB-CG 3.48Å; Q564-P574 HydrophobicContact CG-CG 4.13Å; L567-P574 HydrophobicContact CD1-CB 3.93Å; L567-P574 HydrophobicContact CD1-CG 4.32Å; P574-F578 HydrophobicContact CB-CD1 4.14Å; P574-Y579 HydrophobicContact CB-CE2 4.24Å
575	E	85.9	Confident	85.2	Confident	93 Å²	93	61.9 Å²	61.9	44%	0.435	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-67.4	149	178.5	-64.1	-178.2	175.8	0	0	110.7	K573 Q577 F578	K573-E575 PolarHBondContact O-N 2.93Å; E575-Q577 PolarHBondContact O-N 3.28Å; E575-Q577 VanDerWaalsContact O-N 3.09Å; E575-F578 WeakPolarHBondContact O-CB 3.42Å; E575-F578 PolarHBondContact O-N 3.24Å
576	R	90.3	Very high	85.5	Confident	91 Å²	91	55.2 Å²	55.2	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-50	-39.1	176.6	-173.9	-174	178.5	92.7	0.9	112.3	I550 D551 F578 Y579 E580	I550-R576 HydrophobicContact CG2-CG 3.59Å; I550-R576 VanDerWaalsContact CG2-CZ 3.49Å; D551-R576 IonicContact OD1-CZ 2.71Å; D551-R576 IonicContact OD1-NH1 2.61Å; D551-R576 PolarHBondContact OD1-NH1 3.01Å; D551-R576 IonicContact OD1-NH2 2.91Å; D551-R576 PolarHBondContact OD1-NH2 2.99Å; R576-F578 PolarHBondContact O-N 3.21Å; R576-Y579 PolarHBondContact O-N 3.1Å; R576-Y579 VanDerWaalsContact O-N 3.1Å; R576-E580 WeakPolarHBondContact CD-OE1 3.08Å; R576-E580 HydrophobicContact CG-CG 4.37Å; R576-E580 IonicContact CZ-OE1 3.2Å; R576-E580 IonicContact NE-OE1 3.43Å; R576-E580 PolarHBondContact NE-OE1 2.89Å; R576-E580 PolarHBondContact O-N 3.48Å; R576-E580 VanDerWaalsContact O-N 3.08Å
577	Q	90	Very high	85.8	Confident	62 Å²	62	53.3 Å²	53.3	29%	0.29	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-30.5	-179.9	-173.1	175.6	-19.8	0	0	113.2	E575 E580 H581	E575-Q577 PolarHBondContact O-N 3.28Å; E575-Q577 VanDerWaalsContact O-N 3.09Å; Q577-E580 PolarHBondContact O-N 2.71Å; Q577-H581 WeakPolarHBondContact O-CB 3.36Å; Q577-H581 PolarHBondContact O-N 3.44Å
578	F	93.2	Very high	86.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-46.5	174.5	171.4	-107.6	0	0	0	111.3	I520 L525 L567 P574 E575 R576 H581 F582 M622 Y624	I520-F578 HydrophobicContact CD1-CE2 3.72Å; I520-F578 HydrophobicContact CD1-CZ 4.46Å; L525-F578 HydrophobicContact CD2-CE1 3.81Å; L525-F578 HydrophobicContact CD2-CZ 3.88Å; L567-F578 HydrophobicContact CD1-CD1 4.19Å; L567-F578 HydrophobicContact CD1-CD2 4.14Å; L567-F578 HydrophobicContact CD1-CE1 4.46Å; L567-F578 HydrophobicContact CD1-CE2 4.42Å; L567-F578 HydrophobicContact CD1-CG 4.02Å; L567-F578 HydrophobicContact CD2-CD2 3.87Å; L567-F578 HydrophobicContact CD2-CE2 3.77Å; L567-F578 HydrophobicContact CD2-CZ 4.38Å; L567-F578 HydrophobicContact CG-CD2 4.4Å; L567-F578 HydrophobicContact CG-CE2 4.26Å; L567-F578 HydrophobicContact CG-CZ 4.42Å; P574-F578 HydrophobicContact CB-CD1 4.14Å; E575-F578 WeakPolarHBondContact O-CB 3.42Å; E575-F578 PolarHBondContact O-N 3.24Å; R576-F578 PolarHBondContact O-N 3.21Å; F578-H581 PolarHBondContact O-N 3.28Å; F578-F582 WeakPolarHBondContact O-CB 3.41Å; F578-F582 PolarHBondContact O-N 2.92Å; F578-M622 HydrophobicContact CE2-CE 3.8Å; F578-M622 HydrophobicContact CZ-CE 4.41Å; F578-Y624 HydrophobicContact CB-CE2 4.41Å; F578-Y624 HydrophobicContact CD2-CD1 4.24Å; F578-Y624 HydrophobicContact CD2-CD2 4.19Å; F578-Y624 AromaticContact CD2-CE1 4Å; F578-Y624 HydrophobicContact CD2-CE1 4Å; F578-Y624 AromaticContact CD2-CE2 3.93Å; F578-Y624 HydrophobicContact CD2-CE2 3.93Å; F578-Y624 HydrophobicContact CD2-CG 4.33Å; F578-Y624 AromaticContact CD2-CZ 3.84Å
579	Y	95.2	Very high	86.6	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-38.9	177.7	-59.7	-57.4	0	0	0	111.9	I550 M553 I559 S563 P574 R576 H581 F582 I583	I550-Y579 WeakPolarHBondContact CD1-O 3.47Å; M553-Y579 HydrophobicContact CB-CD1 4.36Å; M553-Y579 HydrophobicContact CB-CG 4.41Å; M553-Y579 HydrophobicContact CE-CD1 3.77Å; M553-Y579 HydrophobicContact CE-CE1 4.36Å; I559-Y579 HydrophobicContact CG2-CD1 4.45Å; I559-Y579 HydrophobicContact CG2-CE1 3.65Å; S563-Y579 WeakPolarHBondContact OG-CE1 3.39Å; P574-Y579 HydrophobicContact CB-CE2 4.24Å; R576-Y579 PolarHBondContact O-N 3.1Å; R576-Y579 VanDerWaalsContact O-N 3.1Å; Y579-H581 VanDerWaalsContact C-N 3.34Å; Y579-F582 PolarHBondContact O-N 3.02Å; Y579-I583 WeakPolarHBondContact O-CG1 3.09Å; Y579-I583 PolarHBondContact O-N 3.21Å
580	E	95.2	Very high	87.7	Confident	24 Å²	24	53.7 Å²	53.7	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-43	175.8	-70.5	179.7	175.1	0	0	111.7	F445 I550 R576 Q577 S584	F445-E580 HydrophobicContact CB-CB 3.81Å; F445-E580 HydrophobicContact CB-CG 3.68Å; F445-E580 HydrophobicContact CD1-CB 4.43Å; F445-E580 HydrophobicContact CD1-CG 3.85Å; F445-E580 HydrophobicContact CD2-CB 3.83Å; F445-E580 HydrophobicContact CD2-CG 4.17Å; F445-E580 WeakPolarHBondContact CD2-O 3.38Å; F445-E580 WeakPolarHBondContact CE2-O 3.39Å; F445-E580 HydrophobicContact CG-CB 3.77Å; F445-E580 HydrophobicContact CG-CG 3.63Å; I550-E580 HydrophobicContact CD1-CG 4.12Å; I550-E580 HydrophobicContact CG1-CG 4.08Å; I550-E580 HydrophobicContact CG2-CG 4.18Å; R576-E580 WeakPolarHBondContact CD-OE1 3.08Å; R576-E580 HydrophobicContact CG-CG 4.37Å; R576-E580 IonicContact CZ-OE1 3.2Å; R576-E580 IonicContact NE-OE1 3.43Å; R576-E580 PolarHBondContact NE-OE1 2.89Å; R576-E580 PolarHBondContact O-N 3.48Å; R576-E580 VanDerWaalsContact O-N 3.08Å; Q577-E580 PolarHBondContact O-N 2.71Å; E580-S584 WeakPolarHBondContact O-CB 3.47Å; E580-S584 PolarHBondContact O-N 3.02Å; E580-S584 PolarHBondContact O-OG 3.32Å
581	H	95.2	Very high	89.4	Confident	24 Å²	24	47.3 Å²	47.3	11%	0.111	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-47.4	174	-171.8	104.9	0	0	0	111.4	I473 Q577 F578 Y579 S584 W585 P623 Y624	I473-H581 PolarHBondContact O-CE1 3.45Å; Q577-H581 WeakPolarHBondContact O-CB 3.36Å; Q577-H581 PolarHBondContact O-N 3.44Å; F578-H581 PolarHBondContact O-N 3.28Å; Y579-H581 VanDerWaalsContact C-N 3.34Å; H581-S584 PolarHBondContact O-N 3.45Å; H581-W585 WeakPolarHBondContact O-CB 3.43Å; H581-W585 PolarHBondContact O-N 3.01Å; H581-P623 PolarHBondContact NE2-O 3.33Å; H581-Y624 HydrophobicContact CB-CD2 4.16Å; H581-Y624 HydrophobicContact CB-CE2 3.99Å; H581-Y624 AromaticContact CD2-CD2 3.73Å; H581-Y624 AromaticContact CG-CD2 3.76Å; H581-Y624 AromaticContact NE2-CD2 3.98Å
582	F	96.7	Very high	91.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-48.7	179.2	168.8	-106.3	0	0	0	112.6	T522 L525 L526 T529 M553 F578 Y579 S584 W585 C586 M622	T522-F582 HydrophobicContact CG2-CD2 4.02Å; T522-F582 HydrophobicContact CG2-CE2 4.03Å; L525-F582 HydrophobicContact CB-CE2 4.42Å; L525-F582 HydrophobicContact CB-CZ 4.28Å; L525-F582 HydrophobicContact CD2-CD1 3.92Å; L525-F582 HydrophobicContact CD2-CD2 3.79Å; L525-F582 HydrophobicContact CD2-CE1 4.05Å; L525-F582 HydrophobicContact CD2-CE2 3.95Å; L525-F582 HydrophobicContact CD2-CG 3.77Å; L525-F582 HydrophobicContact CD2-CZ 4.07Å; L525-F582 HydrophobicContact CG-CD1 4.15Å; L525-F582 HydrophobicContact CG-CD2 4.38Å; L525-F582 HydrophobicContact CG-CE1 3.79Å; L525-F582 HydrophobicContact CG-CE2 4.05Å; L525-F582 HydrophobicContact CG-CG 4.42Å; L525-F582 HydrophobicContact CG-CZ 3.74Å; L526-F582 HydrophobicContact CB-CZ 4.2Å; L526-F582 HydrophobicContact CD1-CZ 4.47Å; T529-F582 HydrophobicContact CG2-CE1 4.42Å; T529-F582 WeakPolarHBondContact OG1-CE1 3.06Å; M553-F582 HydrophobicContact CE-CD1 3.83Å; M553-F582 HydrophobicContact CE-CE1 3.88Å; F578-F582 WeakPolarHBondContact O-CB 3.41Å; F578-F582 PolarHBondContact O-N 2.92Å; Y579-F582 PolarHBondContact O-N 3.02Å; F582-S584 VanDerWaalsContact C-N 3.35Å; F582-S584 PolarHBondContact O-N 3.35Å; F582-W585 WeakPolarHBondContact O-CB 3.41Å; F582-W585 PolarHBondContact O-N 3.28Å; F582-C586 WeakPolarHBondContact CE2-SG 3.4Å; F582-C586 WeakPolarHBondContact CZ-SG 3.41Å; F582-C586 PolarHBondContact O-N 3.05Å; F582-C586 PolarHBondContact O-SG 3.4Å; F582-C586 VanDerWaalsContact O-SG 3.38Å; F582-M622 HydrophobicContact CB-CE 4.33Å; F582-M622 HydrophobicContact CB-SD 4.16Å; F582-M622 HydrophobicContact CD2-CE 4.46Å; F582-M622 HydrophobicContact CD2-SD 4.04Å
583	I	97.3	Very high	92.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-40.7	178.4	-66	-58.2	0	0	0	111.2	F445 T529 L549 I550 M553 Y579 W585 C586 L587 L592	F445-I583 HydrophobicContact CE2-CB 4.04Å; F445-I583 HydrophobicContact CE2-CG2 3.95Å; F445-I583 HydrophobicContact CZ-CB 4.03Å; F445-I583 HydrophobicContact CZ-CG2 3.73Å; T529-I583 HydrophobicContact CG2-CD1 3.95Å; L549-I583 HydrophobicContact CD2-CD1 3.68Å; L549-I583 HydrophobicContact CD2-CG1 4.19Å; L549-I583 HydrophobicContact CD2-CG2 4.48Å; L549-I583 HydrophobicContact CG-CD1 4.39Å; I550-I583 HydrophobicContact CD1-CB 4.26Å; I550-I583 HydrophobicContact CD1-CG1 3.74Å; M553-I583 HydrophobicContact CE-CD1 4.41Å; M553-I583 HydrophobicContact SD-CD1 3.74Å; M553-I583 HydrophobicContact SD-CG1 3.92Å; Y579-I583 WeakPolarHBondContact O-CG1 3.09Å; Y579-I583 PolarHBondContact O-N 3.21Å; I583-W585 VanDerWaalsContact C-N 3.3Å; I583-W585 PolarHBondContact O-N 2.99Å; I583-C586 PolarHBondContact O-N 2.99Å; I583-L587 HydrophobicContact CG2-CD1 4.03Å; I583-L587 HydrophobicContact CG2-CG 4.45Å; I583-L587 VanDerWaalsContact O-CG 3.31Å; I583-L587 WeakPolarHBondContact O-CG 3.4Å; I583-L587 PolarHBondContact O-N 2.99Å; I583-L592 HydrophobicContact CD1-CD1 3.79Å
584	S	97	Very high	93.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-45.1	174.6	-56.8	0	0	0	0	111	F445 E580 H581 F582 L587 I588	F445-S584 WeakPolarHBondContact CD2-OG 3.44Å; E580-S584 WeakPolarHBondContact O-CB 3.47Å; E580-S584 PolarHBondContact O-N 3.02Å; E580-S584 PolarHBondContact O-OG 3.32Å; H581-S584 PolarHBondContact O-N 3.45Å; F582-S584 VanDerWaalsContact C-N 3.35Å; F582-S584 PolarHBondContact O-N 3.35Å; S584-L587 PolarHBondContact O-N 2.95Å; S584-I588 WeakPolarHBondContact O-CG2 3.35Å; S584-I588 PolarHBondContact O-N 3.34Å; S584-I588 VanDerWaalsContact O-N 3.1Å
585	W	96.6	Very high	93.9	Very high	6 Å²	6	32.5 Å²	32.5	2%	0.023	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-43.8	177.2	-175.3	84.6	0	0	0	112.2	I473 T522 H581 F582 I583 L587 I588 H589 Y591 I619 E620 M622	I473-W585 HydrophobicContact CD1-CB 4.01Å; T522-W585 HydrophobicContact CG2-CZ3 4.37Å; T522-W585 VanDerWaalsContact OG1-CZ3 3.3Å; T522-W585 WeakPolarHBondContact OG1-CZ3 3.3Å; H581-W585 WeakPolarHBondContact O-CB 3.43Å; H581-W585 PolarHBondContact O-N 3.01Å; F582-W585 WeakPolarHBondContact O-CB 3.41Å; F582-W585 PolarHBondContact O-N 3.28Å; I583-W585 VanDerWaalsContact C-N 3.3Å; I583-W585 PolarHBondContact O-N 2.99Å; W585-L587 VanDerWaalsContact C-N 3.31Å; W585-L587 PolarHBondContact O-N 3.44Å; W585-I588 WeakPolarHBondContact O-CG1 3.31Å; W585-I588 PolarHBondContact O-N 3.26Å; W585-H589 AromaticContact CD1-CD2 3.64Å; W585-H589 AromaticContact CD1-NE2 3.76Å; W585-H589 AromaticContact CD2-CD2 3.85Å; W585-H589 AromaticContact CE2-CD2 3.41Å; W585-H589 VanDerWaalsContact CE2-CD2 3.41Å; W585-H589 AromaticContact CE2-NE2 3.69Å; W585-H589 AromaticContact CZ2-CD2 3.89Å; W585-H589 AromaticContact NE1-CD2 3.25Å; W585-H589 PolarHBondContact NE1-CD2 2.61Å; W585-H589 AromaticContact NE1-NE2 3.15Å; W585-H589 PolarHBondContact NE1-NE2 2.93Å; W585-H589 VanDerWaalsContact NE1-NE2 3.15Å; W585-H589 PolarHBondContact O-CD2 3.37Å; W585-H589 PolarHBondContact O-N 2.95Å; W585-H589 VanDerWaalsContact O-N 3.14Å; W585-Y591 HydrophobicContact CE3-CD2 4.2Å; W585-Y591 HydrophobicContact CE3-CE2 4.32Å; W585-Y591 AromaticContact CH2-CD2 3.94Å; W585-Y591 HydrophobicContact CH2-CD2 3.94Å; W585-Y591 AromaticContact CH2-CE2 3.3Å; W585-Y591 HydrophobicContact CH2-CE2 3.3Å; W585-Y591 HydrophobicContact CZ2-CE2 4.11Å; W585-Y591 AromaticContact CZ3-CD2 3.53Å; W585-Y591 HydrophobicContact CZ3-CD2 3.53Å; W585-Y591 AromaticContact CZ3-CE2 3.42Å; W585-Y591 HydrophobicContact CZ3-CE2 3.42Å; W585-Y591 VanDerWaalsContact CZ3-CE2 3.42Å; W585-I619 HydrophobicContact CH2-CG2 3.76Å; W585-I619 HydrophobicContact CZ3-CG2 4.19Å; W585-E620 HydrophobicContact CH2-CB 4.38Å; W585-E620 WeakPolarHBondContact CH2-O 3.42Å; W585-E620 HydrophobicContact CZ2-CB 3.89Å; W585-E620 WeakPolarHBondContact CZ2-O 3.32Å; W585-M622 HydrophobicContact CB-CG 4.12Å; W585-M622 HydrophobicContact CB-SD 3.81Å; W585-M622 HydrophobicContact CD2-CB 3.83Å; W585-M622 HydrophobicContact CD2-CG 3.72Å; W585-M622 HydrophobicContact CD2-SD 4.04Å; W585-M622 HydrophobicContact CE3-CB 4.24Å; W585-M622 HydrophobicContact CE3-CG 4.36Å; W585-M622 HydrophobicContact CE3-SD 4.25Å; W585-M622 HydrophobicContact CG-CB 4.22Å; W585-M622 HydrophobicContact CG-CG 3.58Å; W585-M622 HydrophobicContact CG-SD 3.85Å; W585-M622 HydrophobicContact CH2-CB 4.42Å; W585-M622 HydrophobicContact CZ2-CB 4.05Å
586	C	96	Very high	94.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-35.7	175.9	-72.1	0	0	0	0	113.4	F582 I583 Q590 Y591 L592	F582-C586 WeakPolarHBondContact CE2-SG 3.4Å; F582-C586 WeakPolarHBondContact CZ-SG 3.41Å; F582-C586 PolarHBondContact O-N 3.05Å; F582-C586 PolarHBondContact O-SG 3.4Å; F582-C586 VanDerWaalsContact O-SG 3.38Å; I583-C586 PolarHBondContact O-N 2.99Å; C586-Q590 CarbonylContact O-C 3.58Å; C586-Q590 PolarHBondContact O-N 3.49Å; C586-Q590 VanDerWaalsContact O-N 3.12Å; C586-Y591 PolarHBondContact O-N 3.49Å; C586-L592 HydrophobicContact CB-CB 4.26Å; C586-L592 HydrophobicContact CB-CD1 3.83Å; C586-L592 HydrophobicContact CB-CG 3.9Å; C586-L592 PolarHBondContact O-N 2.9Å
587	L	96.1	Very high	94.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.3	-44.4	178.3	-71	168.5	0	0	0	111.8	L448 F449 Y466 I583 S584 W585 H589 Q590 L592 L594 V607	L448-L587 HydrophobicContact CD1-CD1 4Å; L448-L587 HydrophobicContact CD2-CD1 4.09Å; F449-L587 HydrophobicContact CZ-CD1 4.29Å; Y466-L587 HydrophobicContact CE1-CB 4.16Å; Y466-L587 WeakPolarHBondContact CE2-O 3.4Å; I583-L587 HydrophobicContact CG2-CD1 4.03Å; I583-L587 HydrophobicContact CG2-CG 4.45Å; I583-L587 VanDerWaalsContact O-CG 3.31Å; I583-L587 WeakPolarHBondContact O-CG 3.4Å; I583-L587 PolarHBondContact O-N 2.99Å; S584-L587 PolarHBondContact O-N 2.95Å; W585-L587 VanDerWaalsContact C-N 3.31Å; W585-L587 PolarHBondContact O-N 3.44Å; L587-H589 VanDerWaalsContact C-N 3.32Å; L587-H589 PolarHBondContact O-N 3.09Å; L587-Q590 PolarHBondContact O-N 3.46Å; L587-Q590 VanDerWaalsContact O-N 3.1Å; L587-L592 HydrophobicContact CD2-CB 4.01Å; L587-L594 HydrophobicContact CD1-CD2 3.99Å; L587-L594 HydrophobicContact CD2-CD2 3.7Å; L587-L594 HydrophobicContact CD2-CG 4.05Å; L587-V607 HydrophobicContact CD2-CG1 4.46Å
588	I	94.9	Very high	94.4	Very high	37 Å²	37	32.7 Å²	32.7	19%	0.19	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-33.6	180	63.8	169.1	0	0	0	112.5	Y466 V469 I473 S584 W585 Q590	Y466-I588 HydrophobicContact CD1-CG2 4.28Å; Y466-I588 HydrophobicContact CG-CG2 4.3Å; V469-I588 HydrophobicContact CB-CG2 3.91Å; V469-I588 HydrophobicContact CG1-CG2 3.74Å; I473-I588 HydrophobicContact CD1-CD1 3.81Å; I473-I588 HydrophobicContact CG1-CD1 4.42Å; S584-I588 WeakPolarHBondContact O-CG2 3.35Å; S584-I588 PolarHBondContact O-N 3.34Å; S584-I588 VanDerWaalsContact O-N 3.1Å; W585-I588 WeakPolarHBondContact O-CG1 3.31Å; W585-I588 PolarHBondContact O-N 3.26Å; I588-Q590 VanDerWaalsContact C-N 3.27Å
589	H	92.6	Very high	94.1	Very high	54 Å²	54	35.1 Å²	35.1	25%	0.25	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	6.1	175.4	-72.5	-85.1	0	0	0	112.7	W585 L587 Y591 E620	W585-H589 AromaticContact CD1-CD2 3.64Å; W585-H589 AromaticContact CD1-NE2 3.76Å; W585-H589 AromaticContact CD2-CD2 3.85Å; W585-H589 AromaticContact CE2-CD2 3.41Å; W585-H589 VanDerWaalsContact CE2-CD2 3.41Å; W585-H589 AromaticContact CE2-NE2 3.69Å; W585-H589 AromaticContact CZ2-CD2 3.89Å; W585-H589 AromaticContact NE1-CD2 3.25Å; W585-H589 PolarHBondContact NE1-CD2 2.61Å; W585-H589 AromaticContact NE1-NE2 3.15Å; W585-H589 PolarHBondContact NE1-NE2 2.93Å; W585-H589 VanDerWaalsContact NE1-NE2 3.15Å; W585-H589 PolarHBondContact O-CD2 3.37Å; W585-H589 PolarHBondContact O-N 2.95Å; W585-H589 VanDerWaalsContact O-N 3.14Å; L587-H589 VanDerWaalsContact C-N 3.32Å; L587-H589 PolarHBondContact O-N 3.09Å; H589-Y591 HydrophobicContact CB-CD2 3.64Å; H589-Y591 HydrophobicContact CB-CE2 3.39Å; H589-Y591 HydrophobicContact CB-CG 4.46Å; H589-Y591 PolarHBondContact O-N 3.2Å; H589-Y591 VanDerWaalsContact O-N 3.1Å; H589-E620 IonicContact CE1-OE1 2.9Å; H589-E620 IonicContact CE1-OE2 3.63Å; H589-E620 PolarHBondContact CE1-OE2 3.28Å; H589-E620 IonicContact ND1-OE1 2.74Å; H589-E620 IonicContact ND1-OE2 3.08Å
590	Q	91.7	Very high	93.5	Very high	117 Å²	117	41.1 Å²	41.1	55%	0.547	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	13.6	176.9	-50.4	179.9	24	0	0	115.3	C586 L587 I588 L592 N610 I613	C586-Q590 CarbonylContact O-C 3.58Å; C586-Q590 PolarHBondContact O-N 3.49Å; C586-Q590 VanDerWaalsContact O-N 3.12Å; L587-Q590 PolarHBondContact O-N 3.46Å; L587-Q590 VanDerWaalsContact O-N 3.1Å; I588-Q590 VanDerWaalsContact C-N 3.27Å; Q590-L592 CarbonylContact C-O 3.56Å; Q590-L592 PolarHBondContact O-N 3Å; Q590-N610 WeakPolarHBondContact O-CB 3.16Å; Q590-N610 PolarHBondContact O-ND2 2.86Å; Q590-I613 HydrophobicContact CB-CD1 4.39Å; Q590-I613 WeakPolarHBondContact O-CD1 3.42Å
591	Y	92.3	Very high	92.9	Very high	18 Å²	18	50.5 Å²	50.5	7%	0.071	24%	0.241	C	C	.	.	S	Bend	trans	-62.7	-29	171.1	-61.1	-49.4	0	0	0	112.6	L526 W585 C586 H589 I613 I619 E620	L526-Y591 HydrophobicContact CD2-CD1 4.36Å; L526-Y591 HydrophobicContact CD2-CG 4.06Å; W585-Y591 HydrophobicContact CE3-CD2 4.2Å; W585-Y591 HydrophobicContact CE3-CE2 4.32Å; W585-Y591 AromaticContact CH2-CD2 3.94Å; W585-Y591 HydrophobicContact CH2-CD2 3.94Å; W585-Y591 AromaticContact CH2-CE2 3.3Å; W585-Y591 HydrophobicContact CH2-CE2 3.3Å; W585-Y591 HydrophobicContact CZ2-CE2 4.11Å; W585-Y591 AromaticContact CZ3-CD2 3.53Å; W585-Y591 HydrophobicContact CZ3-CD2 3.53Å; W585-Y591 AromaticContact CZ3-CE2 3.42Å; W585-Y591 HydrophobicContact CZ3-CE2 3.42Å; W585-Y591 VanDerWaalsContact CZ3-CE2 3.42Å; C586-Y591 PolarHBondContact O-N 3.49Å; H589-Y591 HydrophobicContact CB-CD2 3.64Å; H589-Y591 HydrophobicContact CB-CE2 3.39Å; H589-Y591 HydrophobicContact CB-CG 4.46Å; H589-Y591 PolarHBondContact O-N 3.2Å; H589-Y591 VanDerWaalsContact O-N 3.1Å; Y591-I613 HydrophobicContact CD1-CD1 3.88Å; Y591-I613 HydrophobicContact CE1-CD1 4.47Å; Y591-I619 HydrophobicContact CE1-CG1 4.02Å; Y591-I619 HydrophobicContact CE2-CG2 3.98Å; Y591-I619 WeakPolarHBondContact OH-CA 3.33Å; Y591-E620 PolarHBondContact OH-N 3.02Å
592	L	94.5	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	158.7	164.8	-62.3	175.6	0	0	0	108.2	L526 T529 K530 L533 I583 C586 L587 Q590 V607	L526-L592 HydrophobicContact CD1-CD2 4.32Å; L526-L592 HydrophobicContact CD1-CG 4.29Å; T529-L592 HydrophobicContact CG2-CD1 4.3Å; K530-L592 HydrophobicContact CG-CD2 4.38Å; L533-L592 HydrophobicContact CD1-CD2 3.77Å; I583-L592 HydrophobicContact CD1-CD1 3.79Å; C586-L592 HydrophobicContact CB-CB 4.26Å; C586-L592 HydrophobicContact CB-CD1 3.83Å; C586-L592 HydrophobicContact CB-CG 3.9Å; C586-L592 PolarHBondContact O-N 2.9Å; L587-L592 HydrophobicContact CD2-CB 4.01Å; Q590-L592 CarbonylContact C-O 3.56Å; Q590-L592 PolarHBondContact O-N 3Å; L592-V607 HydrophobicContact CB-CG1 4.17Å; L592-V607 HydrophobicContact CD1-CG1 3.98Å
593	K	94	Very high	92	Very high	79 Å²	79	54.3 Å²	54.3	34%	0.343	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	159.2	175.7	69.9	-176.6	-178.3	-168	0	111.5	V608 N609 N610	K593-V608 HydrophobicContact CD-CG2 4.11Å; K593-V608 HydrophobicContact CG-CG2 3.43Å; K593-V608 VanDerWaalsContact CG-CG2 3.43Å; K593-V608 PolarHBondContact N-O 2.71Å; K593-V608 PolarHBondContact O-N 3.11Å; K593-N609 WeakPolarHBondContact CE-O 3.42Å; K593-N610 HydrophobicContact CB-CB 4.24Å; K593-N610 HydrophobicContact CD-CB 4.27Å; K593-N610 HydrophobicContact CG-CB 4.27Å
594	L	95.2	Very high	91.7	Very high	19 Å²	19	56.2 Å²	56.2	10%	0.099	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	139.3	171.6	-60.2	177.2	0	0	0	110	L448 F449 A452 I462 Y466 L587 F596 Y606 V607	L448-L594 HydrophobicContact CD2-CD1 4.29Å; F449-L594 HydrophobicContact CD1-CD2 4.34Å; F449-L594 HydrophobicContact CE1-CD2 3.89Å; A452-L594 HydrophobicContact CB-CD1 3.65Å; I462-L594 HydrophobicContact CD1-CD1 4.49Å; Y466-L594 HydrophobicContact CE1-CD1 4.17Å; Y466-L594 WeakPolarHBondContact OH-CG 3.32Å; L587-L594 HydrophobicContact CD1-CD2 3.99Å; L587-L594 HydrophobicContact CD2-CD2 3.7Å; L587-L594 HydrophobicContact CD2-CG 4.05Å; L594-F596 HydrophobicContact CB-CE2 3.89Å; L594-F596 HydrophobicContact CB-CZ 3.84Å; L594-F596 HydrophobicContact CD1-CZ 4.04Å; L594-Y606 WeakPolarHBondContact CA-O 3.36Å; L594-V607 HydrophobicContact CD2-CG2 4.34Å
595	D	93.2	Very high	91.5	Very high	57 Å²	57	56.6 Å²	56.6	31%	0.305	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.8	169.5	-177.9	54.8	0	0	0	109.3	R543 Y606 V608	R543-D595 IonicContact NH1-OD2 2.83Å; R543-D595 PolarHBondContact NH1-OD2 3.5Å; D595-Y606 PolarHBondContact N-O 3.18Å; D595-Y606 PolarHBondContact O-N 3.11Å; D595-V608 HydrophobicContact CB-CG1 3.85Å; D595-V608 HydrophobicContact CB-CG2 3.96Å
596	F	93.7	Very high	91.4	Very high	44 Å²	44	58.1 Å²	58.1	19%	0.193	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.4	-173.8	-63.3	-82	0	0	0	110.8	A452 I462 L594 F598 T603 C605	A452-F596 HydrophobicContact CB-CE1 4.12Å; A452-F596 HydrophobicContact CB-CZ 4.21Å; I462-F596 HydrophobicContact CD1-CE1 4.48Å; I462-F596 HydrophobicContact CD1-CE2 4.15Å; I462-F596 HydrophobicContact CD1-CZ 3.55Å; I462-F596 HydrophobicContact CG1-CE2 4.43Å; I462-F596 HydrophobicContact CG1-CZ 4.3Å; L594-F596 HydrophobicContact CB-CE2 3.89Å; L594-F596 HydrophobicContact CB-CZ 3.84Å; L594-F596 HydrophobicContact CD1-CZ 4.04Å; F596-F598 HydrophobicContact CB-CE2 3.86Å; F596-F598 HydrophobicContact CB-CZ 3.84Å; F596-T603 HydrophobicContact CB-CG2 4.27Å; F596-T603 HydrophobicContact CD1-CG2 3.88Å; F596-C605 HydrophobicContact CD1-CB 4.34Å; F596-C605 HydrophobicContact CE1-CB 4.18Å
597	H	91.5	Very high	91.4	Very high	80 Å²	80	58.2 Å²	58.2	37%	0.37	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.1	169.8	-169.6	66	0	0	0	110.1	R543 V604 Y606	R543-H597 VanDerWaalsContact NH2-CG 3.29Å; R543-H597 PolarHBondContact NH2-ND1 2.99Å; H597-V604 PolarHBondContact N-O 2.75Å; H597-V604 PolarHBondContact O-N 3.37Å; H597-Y606 HydrophobicContact CB-CD2 4.4Å; H597-Y606 HydrophobicContact CB-CE2 3.73Å
598	F	90.7	Very high	91.3	Very high	127 Å²	127	60 Å²	60	56%	0.557	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.3	-179.8	-58.3	-82.1	0	0	0	109.9	F596 T603	F596-F598 HydrophobicContact CB-CE2 3.86Å; F596-F598 HydrophobicContact CB-CZ 3.84Å; F598-T603 HydrophobicContact CD1-CG2 3.81Å; F598-T603 WeakPolarHBondContact CD1-OG1 2.96Å; F598-T603 HydrophobicContact CE1-CG2 3.73Å; F598-T603 HydrophobicContact CZ-CG2 4.46Å
599	T	86	Confident	91.1	Very high	50 Å²	50	60.4 Å²	60.4	31%	0.307	30%	0.303	S	S	.	.			trans	-113.8	162.1	169.5	73.4	0	0	0	0	109	Y601 S602	T599-Y601 PolarHBondContact O-N 3.43Å; T599-S602 WeakPolarHBondContact CA-O 3.46Å; T599-S602 WeakPolarHBondContact CB-O 3.46Å; T599-S602 PolarHBondContact N-O 3.24Å; T599-S602 PolarHBondContact O-N 3.24Å; T599-S602 PolarHBondContact OG1-N 3.46Å; T599-S602 PolarHBondContact OG1-O 3.4Å; T599-S602 PolarHBondContact OG1-OG 3.05Å
600	P	83.9	Confident	90.9	Very high	127 Å²	127	58.4 Å²	58.4	83%	0.825	29%	0.294	S	S	*	.	S	Bend	trans	-56.4	-23.8	177.2	-27.1	35.7	0	0	0	114.8
601	Y	81.7	Confident	90.3	Very high	222 Å²	222	58.1 Å²	58.1	87%	0.871	30%	0.296	S	S	*	.	S	Bend	trans	-110.9	-21.6	-173.9	-56.4	-70.5	0	0	0	114.1	T599	T599-Y601 PolarHBondContact O-N 3.43Å
602	S	84.6	Confident	89.2	Confident	63 Å²	63	63.8 Å²	63.8	44%	0.441	33%	0.328	S	S	.	.			trans	-159.4	157.6	-173.9	65.8	0	0	0	0	112.6	T599	T599-S602 WeakPolarHBondContact CA-O 3.46Å; T599-S602 WeakPolarHBondContact CB-O 3.46Å; T599-S602 PolarHBondContact N-O 3.24Å; T599-S602 PolarHBondContact O-N 3.24Å; T599-S602 PolarHBondContact OG1-N 3.46Å; T599-S602 PolarHBondContact OG1-O 3.4Å; T599-S602 PolarHBondContact OG1-OG 3.05Å
603	T	88.2	Confident	87.9	Confident	40 Å²	40	66 Å²	66	25%	0.245	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.7	168.5	-59.6	0	0	0	0	108.3	S453 F596 F598	S453-T603 PolarHBondContact OG-O 3.33Å; F596-T603 HydrophobicContact CB-CG2 4.27Å; F596-T603 HydrophobicContact CD1-CG2 3.88Å; F598-T603 HydrophobicContact CD1-CG2 3.81Å; F598-T603 WeakPolarHBondContact CD1-OG1 2.96Å; F598-T603 HydrophobicContact CE1-CG2 3.73Å; F598-T603 HydrophobicContact CZ-CG2 4.46Å
604	V	90.2	Very high	85.9	Confident	41 Å²	41	68.8 Å²	68.8	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.4	176.7	-169.1	0	0	0	0	108.8	T545 H597 Y606	T545-V604 HydrophobicContact CG2-CG1 4.21Å; H597-V604 PolarHBondContact N-O 2.75Å; H597-V604 PolarHBondContact O-N 3.37Å; V604-Y606 HydrophobicContact CB-CE2 3.85Å; V604-Y606 HydrophobicContact CG1-CD1 4.41Å; V604-Y606 HydrophobicContact CG1-CD2 4.32Å; V604-Y606 HydrophobicContact CG1-CE1 3.77Å; V604-Y606 HydrophobicContact CG1-CE2 3.65Å; V604-Y606 WeakPolarHBondContact CG1-OH 3.31Å
605	C	93.6	Very high	84.1	Confident	8 Å²	8	72 Å²	72	5%	0.054	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.9	-177.5	-172.8	0	0	0	0	109.9	F449 F596	F449-C605 HydrophobicContact CB-CB 4.46Å; F449-C605 HydrophobicContact CD1-CB 4.31Å; F596-C605 HydrophobicContact CD1-CB 4.34Å; F596-C605 HydrophobicContact CE1-CB 4.18Å
606	Y	94.8	Very high	82.5	Confident	38 Å²	38	71.8 Å²	71.8	15%	0.149	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	158.9	-179.8	-58.5	-77.8	0	0	0	111	R543 I544 T545 L594 D595 H597 V604	R543-Y606 HydrophobicContact CB-CD1 3.49Å; R543-Y606 VanDerWaalsContact CB-CD1 3.49Å; R543-Y606 HydrophobicContact CB-CD2 4.17Å; R543-Y606 HydrophobicContact CB-CE1 3.74Å; R543-Y606 HydrophobicContact CB-CE2 4.39Å; R543-Y606 HydrophobicContact CB-CG 3.71Å; R543-Y606 WeakPolarHBondContact O-CD1 3.49Å; R543-Y606 WeakPolarHBondContact O-CE1 3.4Å; I544-Y606 CarbonylContact O-C 3.59Å; I544-Y606 WeakPolarHBondContact O-CA 3.44Å; T545-Y606 HydrophobicContact CG2-CD1 3.86Å; T545-Y606 HydrophobicContact CG2-CE1 3.87Å; L594-Y606 WeakPolarHBondContact CA-O 3.36Å; D595-Y606 PolarHBondContact N-O 3.18Å; D595-Y606 PolarHBondContact O-N 3.11Å; H597-Y606 HydrophobicContact CB-CD2 4.4Å; H597-Y606 HydrophobicContact CB-CE2 3.73Å; V604-Y606 HydrophobicContact CB-CE2 3.85Å; V604-Y606 HydrophobicContact CG1-CD1 4.41Å; V604-Y606 HydrophobicContact CG1-CD2 4.32Å; V604-Y606 HydrophobicContact CG1-CE1 3.77Å; V604-Y606 HydrophobicContact CG1-CE2 3.65Å; V604-Y606 WeakPolarHBondContact CG1-OH 3.31Å
607	V	96	Very high	81	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.012	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.9	172.2	-178.2	0	0	0	0	108.2	F449 L533 I544 L549 L587 L592 L594	F449-V607 HydrophobicContact CE1-CG2 3.66Å; F449-V607 HydrophobicContact CZ-CG2 4.08Å; L533-V607 HydrophobicContact CD1-CG1 4.47Å; L533-V607 WeakPolarHBondContact CD2-O 3.23Å; I544-V607 PolarHBondContact O-N 3.18Å; L549-V607 HydrophobicContact CD2-CB 4.09Å; L549-V607 HydrophobicContact CD2-CG1 3.84Å; L549-V607 HydrophobicContact CD2-CG2 4.45Å; L587-V607 HydrophobicContact CD2-CG1 4.46Å; L592-V607 HydrophobicContact CB-CG1 4.17Å; L592-V607 HydrophobicContact CD1-CG1 3.98Å; L594-V607 HydrophobicContact CD2-CG2 4.34Å
608	V	93.6	Very high	80	Confident	37 Å²	37	80.5 Å²	80.5	22%	0.224	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.2	178.7	-59.1	0	0	0	0	110.9	K593 D595	K593-V608 HydrophobicContact CD-CG2 4.11Å; K593-V608 HydrophobicContact CG-CG2 3.43Å; K593-V608 VanDerWaalsContact CG-CG2 3.43Å; K593-V608 PolarHBondContact N-O 2.71Å; K593-V608 PolarHBondContact O-N 3.11Å; D595-V608 HydrophobicContact CB-CG1 3.85Å; D595-V608 HydrophobicContact CB-CG2 3.96Å
609	N	91.1	Very high	79.5	Confident	46 Å²	46	75.3 Å²	75.3	25%	0.246	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	145.8	173.4	-169.4	32.8	0	0	0	110.8	K530 K593 D611	K530-N609 WeakPolarHBondContact CD-OD1 3.35Å; K530-N609 WeakPolarHBondContact CE-OD1 3.49Å; K530-N609 WeakPolarHBondContact CG-OD1 3.47Å; K593-N609 WeakPolarHBondContact CE-O 3.42Å; N609-D611 PolarHBondContact ND2-OD1 3.2Å
610	N	88.1	Confident	79.4	Confident	11 Å²	11	78.3 Å²	78.3	6%	0.059	41%	0.408	C	S	.	.			trans	-100.1	96.8	169.1	-169.8	10	0	0	0	110.2	Q590 K593 N612 I613	Q590-N610 WeakPolarHBondContact O-CB 3.16Å; Q590-N610 PolarHBondContact O-ND2 2.86Å; K593-N610 HydrophobicContact CB-CB 4.24Å; K593-N610 HydrophobicContact CD-CB 4.27Å; K593-N610 HydrophobicContact CG-CB 4.27Å; N610-N612 PolarHBondContact O-N 3.3Å; N610-N612 PolarHBondContact OD1-N 2.85Å; N610-I613 PolarHBondContact O-N 3.33Å
611	D	78.7	Confident	79.8	Confident	111 Å²	111	76.7 Å²	76.7	59%	0.594	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.5	-176.2	-49.8	-49	0	0	0	113.8	N609 I613	N609-D611 PolarHBondContact ND2-OD1 3.2Å; D611-I613 PolarHBondContact O-N 3.33Å
612	N	70.7	Confident	80.4	Confident	138 Å²	138	66.1 Å²	66.1	74%	0.738	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.6	179.4	-68	-21.6	0	0	0	113.6	N610 V614	N610-N612 PolarHBondContact O-N 3.3Å; N610-N612 PolarHBondContact OD1-N 2.85Å; N612-V614 PolarHBondContact O-N 3.15Å
613	I	65.6	Low	80.9	Confident	46 Å²	46	64.2 Å²	64.2	24%	0.236	34%	0.337	C	S	.	.			trans	-94.8	94	177.9	-61.1	177.5	0	0	0	107.8	Q590 Y591 N610 D611 D615	Q590-I613 HydrophobicContact CB-CD1 4.39Å; Q590-I613 WeakPolarHBondContact O-CD1 3.42Å; Y591-I613 HydrophobicContact CD1-CD1 3.88Å; Y591-I613 HydrophobicContact CE1-CD1 4.47Å; N610-I613 PolarHBondContact O-N 3.33Å; D611-I613 PolarHBondContact O-N 3.33Å; I613-D615 VanDerWaalsContact C-N 3.31Å
614	V	52.3	Low	81.1	Confident	138 Å²	138	63 Å²	63	84%	0.836	33%	0.327	S	S	*	.			trans	-73	-26.7	-178	-173.8	0	0	0	0	111.4	N612	N612-V614 PolarHBondContact O-N 3.15Å
615	D	57.8	Low	81	Confident	87 Å²	87	62.6 Å²	62.6	47%	0.465	32%	0.324	S	S	.	.			trans	-116.2	93.4	-166.8	-150.6	-8.3	0	0	0	112.2	I613 E617 H618	I613-D615 VanDerWaalsContact C-N 3.31Å; D615-E617 PolarHBondContact O-N 2.87Å; D615-E617 WeakPolarHBondContact OD1-CB 3.45Å; D615-E617 PolarHBondContact OD1-N 3.47Å; D615-H618 IonicContact OD2-ND1 3.73Å
616	N	59	Low	80.6	Confident	52 Å²	52	63.7 Å²	63.7	28%	0.278	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-75.5	-0.1	174.9	-69.4	-41.1	0	0	0	112.3	N523 K530 I619	N523-N616 PolarHBondContact ND2-O 3.02Å; K530-N616 PolarHBondContact NZ-OD1 2.68Å; K530-N616 VanDerWaalsContact NZ-OD1 3.12Å; N616-I619 HydrophobicContact CB-CD1 4.19Å; N616-I619 WeakPolarHBondContact O-CD1 3.43Å; N616-I619 WeakPolarHBondContact O-CG1 3.23Å
617	E	63	Low	79.6	Confident	158 Å²	158	63.1 Å²	63.1	74%	0.738	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-73.5	-32.4	-178.1	-66.4	-164.3	161.7	0	0	112.6	D615 I619	D615-E617 PolarHBondContact O-N 2.87Å; D615-E617 WeakPolarHBondContact OD1-CB 3.45Å; D615-E617 PolarHBondContact OD1-N 3.47Å; E617-I619 PolarHBondContact O-N 3.16Å
618	H	70.7	Confident	77.9	Confident	149 Å²	149	66.9 Å²	66.9	69%	0.69	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-102.8	49.9	-175.9	-63.2	86	0	0	0	112.5	D615	D615-H618 IonicContact OD2-ND1 3.73Å
619	I	79.2	Confident	76	Confident	17 Å²	17	72.2 Å²	72.2	9%	0.087	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-79.3	126.2	174.6	-66	174.7	0	0	0	109.5	T522 N523 L526 W585 Y591 N616 E617	T522-I619 WeakPolarHBondContact OG1-CG2 3.06Å; N523-I619 HydrophobicContact CB-CD1 4.19Å; L526-I619 HydrophobicContact CD2-CD1 3.58Å; W585-I619 HydrophobicContact CH2-CG2 3.76Å; W585-I619 HydrophobicContact CZ3-CG2 4.19Å; Y591-I619 HydrophobicContact CE1-CG1 4.02Å; Y591-I619 HydrophobicContact CE2-CG2 3.98Å; Y591-I619 WeakPolarHBondContact OH-CA 3.33Å; N616-I619 HydrophobicContact CB-CD1 4.19Å; N616-I619 WeakPolarHBondContact O-CD1 3.43Å; N616-I619 WeakPolarHBondContact O-CG1 3.23Å; E617-I619 PolarHBondContact O-N 3.16Å
620	E	85.4	Confident	74	Confident	113 Å²	113	79.9 Å²	79.9	53%	0.528	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.3	149.9	176.6	-74	-172.8	-154.5	0	0	111.4	W585 H589 Y591 M622	W585-E620 HydrophobicContact CH2-CB 4.38Å; W585-E620 WeakPolarHBondContact CH2-O 3.42Å; W585-E620 HydrophobicContact CZ2-CB 3.89Å; W585-E620 WeakPolarHBondContact CZ2-O 3.32Å; H589-E620 IonicContact CE1-OE1 2.9Å; H589-E620 IonicContact CE1-OE2 3.63Å; H589-E620 PolarHBondContact CE1-OE2 3.28Å; H589-E620 IonicContact ND1-OE1 2.74Å; H589-E620 IonicContact ND1-OE2 3.08Å; Y591-E620 PolarHBondContact OH-N 3.02Å; E620-M622 PolarHBondContact O-N 2.92Å
621	L	92	Very high	72	Confident	93 Å²	93	84.6 Å²	84.6	49%	0.487	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-71.6	131.9	173.2	-63.5	177	0	0	0	109.7	Q519 K521 P623	Q519-L621 HydrophobicContact CB-CB 4.17Å; Q519-L621 HydrophobicContact CB-CD1 4.08Å; K521-L621 HydrophobicContact CB-CD2 3.85Å; K521-L621 HydrophobicContact CG-CD2 4.37Å; L621-P623 VanDerWaalsContact O-CD 3.3Å; L621-P623 WeakPolarHBondContact O-CD 3.45Å
622	M	94.5	Very high	70.2	Confident	0 Å²	0	87.6 Å²	87.6	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.5	177.7	-178.5	179.3	78.8	0	0	109.9	I520 T522 F578 F582 W585 E620 Y624	I520-M622 HydrophobicContact CB-CB 4.48Å; I520-M622 HydrophobicContact CB-CE 4.37Å; I520-M622 HydrophobicContact CD1-CE 3.96Å; I520-M622 PolarHBondContact N-O 3.39Å; I520-M622 PolarHBondContact O-N 3.43Å; T522-M622 HydrophobicContact CG2-CB 3.65Å; T522-M622 HydrophobicContact CG2-CE 4.15Å; T522-M622 HydrophobicContact CG2-SD 4.13Å; F578-M622 HydrophobicContact CE2-CE 3.8Å; F578-M622 HydrophobicContact CZ-CE 4.41Å; F582-M622 HydrophobicContact CB-CE 4.33Å; F582-M622 HydrophobicContact CB-SD 4.16Å; F582-M622 HydrophobicContact CD2-CE 4.46Å; F582-M622 HydrophobicContact CD2-SD 4.04Å; W585-M622 HydrophobicContact CB-CG 4.12Å; W585-M622 HydrophobicContact CB-SD 3.81Å; W585-M622 HydrophobicContact CD2-CB 3.83Å; W585-M622 HydrophobicContact CD2-CG 3.72Å; W585-M622 HydrophobicContact CD2-SD 4.04Å; W585-M622 HydrophobicContact CE3-CB 4.24Å; W585-M622 HydrophobicContact CE3-CG 4.36Å; W585-M622 HydrophobicContact CE3-SD 4.25Å; W585-M622 HydrophobicContact CG-CB 4.22Å; W585-M622 HydrophobicContact CG-CG 3.58Å; W585-M622 HydrophobicContact CG-SD 3.85Å; W585-M622 HydrophobicContact CH2-CB 4.42Å; W585-M622 HydrophobicContact CZ2-CB 4.05Å; E620-M622 PolarHBondContact O-N 2.92Å; M622-Y624 PolarHBondContact O-N 3.28Å
623	P	94	Very high	69	Low	24 Å²	24	83.5 Å²	83.5	16%	0.156	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.2	170.9	30.1	-33.5	0	0	0	109.5	P475 L517 I518 H581 L621	P475-P623 HydrophobicContact CG-CB 3.91Å; P475-P623 HydrophobicContact CG-CG 4.47Å; L517-P623 HydrophobicContact CD1-CB 4.21Å; I518-P623 WeakPolarHBondContact O-CA 3.12Å; H581-P623 PolarHBondContact NE2-O 3.33Å; L621-P623 VanDerWaalsContact O-CD 3.3Å; L621-P623 WeakPolarHBondContact O-CD 3.45Å
624	Y	92.9	Very high	68.2	Low	13 Å²	13	83 Å²	83	5%	0.051	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.6	178	-175.5	-105.2	0	0	0	110.8	I518 I520 L567 F578 H581 M622 L626	I518-Y624 HydrophobicContact CD1-CD1 4.26Å; I518-Y624 HydrophobicContact CG1-CD1 4.4Å; I518-Y624 WeakPolarHBondContact CG1-O 3.24Å; I518-Y624 PolarHBondContact N-O 3.16Å; I518-Y624 PolarHBondContact O-N 3.13Å; I520-Y624 HydrophobicContact CD1-CD1 4.23Å; I520-Y624 HydrophobicContact CD1-CG 4.15Å; L567-Y624 HydrophobicContact CD2-CD1 4.09Å; L567-Y624 HydrophobicContact CD2-CE1 4.09Å; F578-Y624 HydrophobicContact CB-CE2 4.41Å; F578-Y624 HydrophobicContact CD2-CD1 4.24Å; F578-Y624 HydrophobicContact CD2-CD2 4.19Å; F578-Y624 AromaticContact CD2-CE1 4Å; F578-Y624 HydrophobicContact CD2-CE1 4Å; F578-Y624 AromaticContact CD2-CE2 3.93Å; F578-Y624 HydrophobicContact CD2-CE2 3.93Å; F578-Y624 HydrophobicContact CD2-CG 4.33Å; F578-Y624 AromaticContact CD2-CZ 3.84Å; H581-Y624 HydrophobicContact CB-CD2 4.16Å; H581-Y624 HydrophobicContact CB-CE2 3.99Å; H581-Y624 AromaticContact CD2-CD2 3.73Å; H581-Y624 AromaticContact CG-CD2 3.76Å; H581-Y624 AromaticContact NE2-CD2 3.98Å; M622-Y624 PolarHBondContact O-N 3.28Å; Y624-L626 HydrophobicContact CE1-CD1 4.36Å
625	L	88.7	Confident	68.1	Low	34 Å²	34	82.4 Å²	82.4	18%	0.178	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111.1	177	-169.6	82.4	0	0	0	110	P475	P475-L625 HydrophobicContact CB-CB 4.08Å
626	L	84.1	Confident	67.8	Low	30 Å²	30	78.8 Å²	78.8	16%	0.157	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118.3	176	-166.7	67.1	0	0	0	109.6	S515 T516 I518 L567 Y624	S515-L626 CarbonylContact C-O 3.54Å; S515-L626 WeakPolarHBondContact CA-O 3.35Å; T516-L626 PolarHBondContact N-O 3.42Å; T516-L626 PolarHBondContact O-N 3.42Å; I518-L626 HydrophobicContact CD1-CB 4.32Å; L567-L626 HydrophobicContact CD2-CD1 4.17Å; Y624-L626 HydrophobicContact CE1-CD1 4.36Å
627	S	74.4	Confident	67.4	Low	26 Å²	26	80.8 Å²	80.8	18%	0.182	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129.9	174.4	51.8	0	0	0	0	110.8
628	N	60.8	Low	66.4	Low	82 Å²	82	76.7 Å²	76.7	44%	0.439	39%	0.385	S	S	.	.	S	Bend	trans	-90.4	-13.1	177.3	-68.2	-19.9	0	0	0	112.2	S512 V514 T516	S512-N628 PolarHBondContact O-ND2 3.42Å; S512-N628 VanDerWaalsContact O-ND2 3.15Å; V514-N628 PolarHBondContact O-N 3.25Å; T516-N628 PolarHBondContact OG1-ND2 2.97Å
629	K	52.9	Low	64.9	Low	148 Å²	148	78.9 Å²	78.9	64%	0.643	39%	0.392	S	S	*	.	S	Bend	trans	-141.5	154.6	177.1	-70.7	-175.4	178.4	177.7	0	110.9	E631	K629-E631 PolarHBondContact O-N 3Å
630	K	49.3	Very low	63.1	Low	207 Å²	207	85.7 Å²	85.7	90%	0.9	42%	0.417	S	S	*	.			trans	-58.3	111.5	163.6	-76.9	-176.6	177.8	177.4	0	107.3	E632	K630-E632 PolarHBondContact O-N 3.49Å
631	E	45.1	Very low	60.9	Low	111 Å²	111	85.3 Å²	85.3	52%	0.519	41%	0.413	S	S	.	.			trans	-55.1	121	-174.1	-71.3	-173.3	149.6	0	0	111.1	K316 K629	K316-E631 IonicContact NZ-OE2 3.2Å; K316-E631 PolarHBondContact NZ-OE2 2.99Å; K629-E631 PolarHBondContact O-N 3Å
632	E	42.6	Very low	57.9	Low	173 Å²	173	91.9 Å²	91.9	81%	0.808	43%	0.432	S	S	*	.			trans	-70.5	159.9	162.7	-75.6	-177	169	0	0	110.4	K630 F634	K630-E632 PolarHBondContact O-N 3.49Å; E632-F634 PolarHBondContact O-N 2.96Å
633	C	44.6	Very low	54.9	Low	52 Å²	52	99.1 Å²	99.1	35%	0.351	47%	0.469	S	S	.	.	S	Bend	trans	-43.6	132.4	-174.7	-147.4	0	0	0	0	112.6	H635	C633-H635 PolarHBondContact O-CD2 2.94Å; C633-H635 PolarHBondContact O-N 3.45Å
634	F	48.6	Very low	52	Low	36 Å²	36	106.3 Å²	106.3	16%	0.158	50%	0.5	C	S	.	.			trans	-54.6	118.5	-174.6	-177.6	-104.2	0	0	0	112.3	Y314 K316 Y328 L332 I440 E632 V636	Y314-F634 HydrophobicContact CD1-CE1 4.31Å; Y314-F634 HydrophobicContact CD1-CE2 4.34Å; Y314-F634 AromaticContact CD1-CZ 3.49Å; Y314-F634 HydrophobicContact CD1-CZ 3.49Å; Y314-F634 VanDerWaalsContact CD1-CZ 3.49Å; Y314-F634 HydrophobicContact CE1-CZ 4.25Å; Y314-F634 HydrophobicContact CG-CE1 4.3Å; Y314-F634 AromaticContact CG-CZ 3.71Å; Y314-F634 HydrophobicContact CG-CZ 3.71Å; K316-F634 HydrophobicContact CD-CD2 4.02Å; Y328-F634 HydrophobicContact CE2-CB 4.35Å; Y328-F634 WeakPolarHBondContact OH-CB 2.99Å; Y328-F634 WeakPolarHBondContact OH-CG 3.12Å; L332-F634 HydrophobicContact CD1-CD1 4.18Å; I440-F634 HydrophobicContact CD1-CE1 4.34Å; E632-F634 PolarHBondContact O-N 2.96Å; F634-V636 HydrophobicContact CD1-CG2 3.94Å; F634-V636 HydrophobicContact CE1-CG2 3.49Å; F634-V636 VanDerWaalsContact CE1-CG2 3.49Å; F634-V636 HydrophobicContact CZ-CG2 4.47Å
635	H	49.4	Very low	49.1	Very low	125 Å²	125	110.9 Å²	110.9	58%	0.579	53%	0.534	S	S	*	.			trans	-96.4	104.6	176.3	-83.2	-83.7	0	0	0	109.6	K335 C633 D637	K335-H635 PolarHBondContact NZ-CE1 3.34Å; K335-H635 VanDerWaalsContact NZ-CE1 3.26Å; K335-H635 PolarHBondContact NZ-NE2 3.44Å; C633-H635 PolarHBondContact O-CD2 2.94Å; C633-H635 PolarHBondContact O-N 3.45Å; H635-D637 PolarHBondContact O-N 2.96Å
636	V	53.3	Low	46.4	Very low	11 Å²	11	115.1 Å²	115.1	7%	0.067	56%	0.561	C	S	.	*			trans	-68.8	127.8	156.3	-177.9	0	0	0	0	106.1	Y314 D438 I440 F634 A638	Y314-V636 HydrophobicContact CE2-CG1 4.3Å; D438-V636 WeakPolarHBondContact OD2-CG1 3.27Å; I440-V636 HydrophobicContact CD1-CG2 4.29Å; F634-V636 HydrophobicContact CD1-CG2 3.94Å; F634-V636 HydrophobicContact CE1-CG2 3.49Å; F634-V636 VanDerWaalsContact CE1-CG2 3.49Å; F634-V636 HydrophobicContact CZ-CG2 4.47Å; V636-A638 VanDerWaalsContact C-N 3.35Å; V636-A638 PolarHBondContact O-N 2.69Å
637	D	49.1	Very low	43.8	Very low	94 Å²	94	122.1 Å²	122.1	50%	0.503	59%	0.593	S	S	.	*			trans	-59.9	91.8	-172	-128.3	-16.4	0	0	0	111	H635 K639	H635-D637 PolarHBondContact O-N 2.96Å; D637-K639 PolarHBondContact O-N 2.82Å; D637-K639 VanDerWaalsContact O-N 3.12Å
638	A	43.2	Very low	41.8	Very low	72 Å²	72	127.8 Å²	127.8	60%	0.595	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-65.6	-16.7	-176.2	0	0	0	0	0	112.3	V636 R640 K641	V636-A638 VanDerWaalsContact C-N 3.35Å; V636-A638 PolarHBondContact O-N 2.69Å; A638-R640 PolarHBondContact O-N 3.43Å; A638-R640 VanDerWaalsContact O-N 3.17Å; A638-K641 PolarHBondContact O-N 3.26Å; A638-K641 VanDerWaalsContact O-N 3.13Å
639	K	39.1	Very low	40.5	Very low	196 Å²	196	128.8 Å²	128.8	85%	0.852	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-66.4	-14.3	-175	-79.4	-170.1	175.1	-175	0	114.8	D637	D637-K639 PolarHBondContact O-N 2.82Å; D637-K639 VanDerWaalsContact O-N 3.12Å
640	R	40.3	Very low	39.6	Very low	160 Å²	160	128.4 Å²	128.4	60%	0.604	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-85	-7.6	173.4	-74.2	-176	176.8	179.5	-2.6	114.4	K498 A638	K498-R640 PolarHBondContact O-NH1 3.4Å; K498-R640 PolarHBondContact O-NH2 3.3Å; A638-R640 PolarHBondContact O-N 3.43Å; A638-R640 VanDerWaalsContact O-N 3.17Å
641	K	40.5	Very low	39	Very low	104 Å²	104	126 Å²	126	45%	0.452	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.4	0.9	-173.7	-77	-178.6	172	174.1	0	115.9	N336 A638	N336-K641 PolarHBondContact O-NZ 3.08Å; A638-K641 PolarHBondContact O-N 3.26Å; A638-K641 VanDerWaalsContact O-N 3.13Å
642	R	29.1	Very low	38.8	Very low	231 Å²	231	129.8 Å²	129.8	87%	0.872	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	4.6	-176.4	-88.1	-168.8	-177.5	-178.5	1.1	116.8	H644	R642-H644 VanDerWaalsContact C-N 3.25Å; R642-H644 PolarHBondContact O-N 3.41Å; R642-H644 VanDerWaalsContact O-N 3.14Å
643	I	31.4	Very low	38.6	Very low	153 Å²	153	127.7 Å²	127.7	79%	0.785	65%	0.654	S	S	*	*	S	Bend	trans	-90.1	67.6	171.4	-47.1	175.5	0	0	0	108.7
644	H	32	Very low	38.3	Very low	175 Å²	175	131.6 Å²	131.6	81%	0.81	67%	0.67	S	S	*	*			trans	-168.2	56	159.5	-84.4	-41.1	0	0	0	107.3	R642 T646	R642-H644 VanDerWaalsContact C-N 3.25Å; R642-H644 PolarHBondContact O-N 3.41Å; R642-H644 VanDerWaalsContact O-N 3.14Å; H644-T646 PolarHBondContact O-N 3.18Å
645	S	32.2	Very low	37.8	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	70%	0.698	S	S	*	*			trans	-77.9	102.6	151.5	51	0	0	0	0	105.8	E647	S645-E647 PolarHBondContact O-N 3.05Å; S645-E647 VanDerWaalsContact O-N 3.14Å
646	T	31.5	Very low	37.1	Very low	124 Å²	124	137.6 Å²	137.6	76%	0.761	71%	0.705	S	S	*	*			trans	-42.7	112.8	171.3	-28.2	0	0	0	0	109.4	H644 I648	H644-T646 PolarHBondContact O-N 3.18Å; T646-I648 VanDerWaalsContact C-N 3.31Å; T646-I648 PolarHBondContact O-N 3.24Å
647	E	30.5	Very low	36.1	Very low	177 Å²	177	145.6 Å²	145.6	83%	0.827	75%	0.745	S	S	*	*			trans	-64.5	101.6	158.9	-79.8	179.7	161.4	0	0	105.9	S645 V649	S645-E647 PolarHBondContact O-N 3.05Å; S645-E647 VanDerWaalsContact O-N 3.14Å; E647-V649 PolarHBondContact O-N 3.14Å
648	I	32.6	Very low	35.2	Very low	144 Å²	144	149 Å²	149	74%	0.738	76%	0.761	S	S	*	*			trans	-68.3	94.4	164.6	-62.1	173.3	0	0	0	104.6	T646 D650	T646-I648 VanDerWaalsContact C-N 3.31Å; T646-I648 PolarHBondContact O-N 3.24Å; I648-D650 PolarHBondContact O-N 2.78Å; I648-D650 VanDerWaalsContact O-N 3.17Å
649	V	33.4	Very low	34.6	Very low	104 Å²	104	154.5 Å²	154.5	63%	0.63	77%	0.773	S	S	*	*			trans	-75	99	166.9	-178.3	0	0	0	0	105.8	E647 L651	E647-V649 PolarHBondContact O-N 3.14Å; V649-L651 HydrophobicContact CG1-CD2 4.37Å; V649-L651 HydrophobicContact CG1-CG 4.23Å; V649-L651 PolarHBondContact O-N 3.5Å
650	D	33.7	Very low	34.3	Very low	139 Å²	139	151.3 Å²	151.3	74%	0.743	77%	0.767	S	S	*	*			trans	-61	100.1	166.8	-107.5	-27	0	0	0	107.9	I648 T652	I648-D650 PolarHBondContact O-N 2.78Å; I648-D650 VanDerWaalsContact O-N 3.17Å; D650-T652 PolarHBondContact O-N 2.94Å
651	L	36.9	Very low	33.8	Very low	156 Å²	156	150.6 Å²	150.6	82%	0.817	78%	0.781	S	S	*	*			trans	-90.3	84.6	164.3	-70.9	169.2	0	0	0	107.4	V649	V649-L651 HydrophobicContact CG1-CD2 4.37Å; V649-L651 HydrophobicContact CG1-CG 4.23Å; V649-L651 PolarHBondContact O-N 3.5Å
652	T	41.7	Very low	33.2	Very low	192 Å²	192	154.8 Å²	154.8	100%	1.178	81%	0.811	S	S	*	*			trans	-71.4	0	139.3	55.1	0	0	0	0	108	D650	D650-T652 PolarHBondContact O-N 2.94Å

Retrieved 652 of 652 residues in 451.2 ms (Link to these results)

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