A0A087WPC3_MOUSE Loading...

Cytochrome P450, family 4, subfamily a, polypeptide 29

AlphaFold DB , UniProt , Accession A0A087WPC3, Species MOUSE (Mus musculus, Mouse), Gene Cyp4a29, Length 509 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.4	Very low	51.7	Low	250 Å²	250	140.8 Å²	140.8	100%	1.232	77%	0.774	S	S	*	*				0	97.3	0	-73.8	170.6	141	0	0	107.7
2	S	44.2	Very low	52.2	Low	123 Å²	123	139.1 Å²	139.1	86%	0.86	76%	0.762	S	S	*	*			trans	-133.9	117.3	176.1	-170.6	0	0	0	0	108.8	S4	S2-S4 PolarHBondContact O-N 3.24Å
3	I	46.7	Very low	52.9	Low	169 Å²	169	138.8 Å²	138.8	87%	0.867	75%	0.752	S	S	*	*			trans	-77.4	109.6	-178.4	-65.6	164.5	0	0	0	106.3	A5	I3-A5 PolarHBondContact O-N 2.73Å
4	S	51.9	Low	53.7	Low	110 Å²	110	135.6 Å²	135.6	77%	0.769	74%	0.744	S	S	*	*			trans	-73.1	113.3	176.6	66.8	0	0	0	0	109.8	S2 L6	S2-S4 PolarHBondContact O-N 3.24Å; S4-L6 PolarHBondContact O-N 2.95Å
5	A	50.4	Low	54.8	Low	96 Å²	96	130.7 Å²	130.7	79%	0.793	72%	0.719	S	S	*	*			trans	-56.7	115.9	171.1	0	0	0	0	0	110.8	I3 S7	I3-A5 PolarHBondContact O-N 2.73Å; A5-S7 PolarHBondContact O-N 2.92Å
6	L	52.8	Low	56.1	Low	172 Å²	172	126.3 Å²	126.3	90%	0.901	70%	0.7	S	S	*	*			trans	-62.9	120	165.5	-82	156.5	0	0	0	108.3	S4	S4-L6 PolarHBondContact O-N 2.95Å
7	S	56	Low	57.7	Low	63 Å²	63	120.6 Å²	120.6	44%	0.441	68%	0.677	S	S	.	*			trans	-71.4	140.9	-171.9	84.3	0	0	0	0	112.2	A5 I9	A5-S7 PolarHBondContact O-N 2.92Å; S7-I9 PolarHBondContact O-N 2.79Å; S7-I9 VanDerWaalsContact O-N 3.09Å
8	P	56.9	Low	59.1	Low	98 Å²	98	121.6 Å²	121.6	64%	0.636	67%	0.673	S	S	*	*	H	α-helix	trans	-60	-18.2	177.4	-23.3	32.1	0	0	0	114.9	F11 L12	P8-F11 PolarHBondContact O-N 3.04Å; P8-L12 PolarHBondContact O-N 2.78Å
9	I	58.7	Low	60.6	Low	115 Å²	115	120.8 Å²	120.8	59%	0.59	67%	0.667	S	S	*	*	H	α-helix	trans	-73.9	-40.8	-170.1	-61.1	171.1	0	0	0	111.7	S7 F11 L12 E13	S7-I9 PolarHBondContact O-N 2.79Å; S7-I9 VanDerWaalsContact O-N 3.09Å; I9-F11 PolarHBondContact O-N 3.17Å; I9-L12 PolarHBondContact O-N 3.35Å; I9-E13 PolarHBondContact O-N 3.4Å
10	R	55.4	Low	62	Low	198 Å²	198	121 Å²	121	75%	0.747	66%	0.663	S	S	*	*	H	α-helix	trans	-65.5	-27.6	176	-77.9	-172.7	176.8	-174.1	-0	112.7	C14	R10-C14 PolarHBondContact O-N 3.49Å
11	F	54.2	Low	63.3	Low	155 Å²	155	119 Å²	119	68%	0.68	65%	0.654	S	S	*	*	H	α-helix	trans	-69.9	-40.7	175.5	-170.5	-99.4	0	0	0	111.2	P8 I9 C14 V15	P8-F11 PolarHBondContact O-N 3.04Å; I9-F11 PolarHBondContact O-N 3.17Å; F11-C14 PolarHBondContact O-N 3.27Å; F11-V15 HydrophobicContact CD1-CG2 4.18Å; F11-V15 HydrophobicContact CE1-CG2 3.95Å; F11-V15 HydrophobicContact CZ-CG2 4.35Å; F11-V15 VanDerWaalsContact O-CG2 3.27Å; F11-V15 WeakPolarHBondContact O-CG2 3.41Å; F11-V15 PolarHBondContact O-N 2.92Å
12	L	57.5	Low	65.7	Low	120 Å²	120	111.1 Å²	111.1	63%	0.628	62%	0.616	S	S	*	*	H	α-helix	trans	-65.6	-40.3	178	-97.7	138.3	0	0	0	113.8	P8 I9 V15 S16	P8-L12 PolarHBondContact O-N 2.78Å; I9-L12 PolarHBondContact O-N 3.35Å; L12-V15 PolarHBondContact O-N 3.11Å; L12-S16 PolarHBondContact O-N 2.89Å
13	E	61.7	Low	68	Low	136 Å²	136	112.2 Å²	112.2	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-65.2	-40	176.1	-71.6	-179.6	161.1	0	0	112.1	I9 S16 G17	I9-E13 PolarHBondContact O-N 3.4Å; E13-S16 PolarHBondContact O-N 2.88Å; E13-G17 PolarHBondContact O-N 3.46Å
14	C	63.8	Low	70.2	Confident	94 Å²	94	109.4 Å²	109.4	64%	0.635	59%	0.592	S	S	*	*	H	α-helix	trans	-65	-40.6	176.8	-162.4	0	0	0	0	111.6	R10 F11 F18	R10-C14 PolarHBondContact O-N 3.49Å; F11-C14 PolarHBondContact O-N 3.27Å; C14-F18 WeakPolarHBondContact O-CB 3.37Å; C14-F18 PolarHBondContact O-N 3.27Å
15	V	70.1	Confident	72.2	Confident	61 Å²	61	108.5 Å²	108.5	37%	0.37	58%	0.578	S	S	.	*	H	α-helix	trans	-64.9	-40.8	175.1	172.9	0	0	0	0	111.5	F11 L12 F18 L19	F11-V15 HydrophobicContact CD1-CG2 4.18Å; F11-V15 HydrophobicContact CE1-CG2 3.95Å; F11-V15 HydrophobicContact CZ-CG2 4.35Å; F11-V15 VanDerWaalsContact O-CG2 3.27Å; F11-V15 WeakPolarHBondContact O-CG2 3.41Å; F11-V15 PolarHBondContact O-N 2.92Å; L12-V15 PolarHBondContact O-N 3.11Å; V15-F18 PolarHBondContact O-N 3.5Å; V15-L19 HydrophobicContact CG1-CD1 4Å; V15-L19 HydrophobicContact CG1-CG 4.4Å; V15-L19 VanDerWaalsContact O-CG 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.24Å; V15-L19 PolarHBondContact O-N 2.87Å
16	S	76.7	Confident	74.3	Confident	60 Å²	60	105.3 Å²	105.3	42%	0.42	55%	0.554	S	S	.	*	H	α-helix	trans	-61.8	-47.7	176.6	-177.1	0	0	0	0	112.2	L12 E13 F18 L19 Q20	L12-S16 PolarHBondContact O-N 2.89Å; E13-S16 PolarHBondContact O-N 2.88Å; S16-F18 VanDerWaalsContact C-N 3.35Å; S16-F18 PolarHBondContact O-N 3.14Å; S16-L19 PolarHBondContact O-N 3.21Å; S16-Q20 WeakPolarHBondContact O-CG 3.18Å; S16-Q20 PolarHBondContact O-N 3.2Å
17	G	82.6	Confident	76.2	Confident	30 Å²	30	101 Å²	101	31%	0.309	53%	0.531	S	S	.	.	H	α-helix	trans	-61.5	-41.2	176.2	0	0	0	0	0	112.7	E13 Q20 V21	E13-G17 PolarHBondContact O-N 3.46Å; G17-Q20 PolarHBondContact O-N 2.83Å; G17-V21 WeakPolarHBondContact O-CG2 3.28Å; G17-V21 PolarHBondContact O-N 3.49Å
18	F	82.9	Confident	78.1	Confident	139 Å²	139	103.7 Å²	103.7	61%	0.61	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-42.5	176.7	-173.6	-107.6	0	0	0	112.7	C14 V15 S16 V21 I22	C14-F18 WeakPolarHBondContact O-CB 3.37Å; C14-F18 PolarHBondContact O-N 3.27Å; V15-F18 PolarHBondContact O-N 3.5Å; S16-F18 VanDerWaalsContact C-N 3.35Å; S16-F18 PolarHBondContact O-N 3.14Å; F18-V21 PolarHBondContact O-N 3.09Å; F18-I22 HydrophobicContact CD1-CD1 3.63Å; F18-I22 HydrophobicContact CD1-CG1 4.5Å; F18-I22 HydrophobicContact CE1-CD1 3.23Å; F18-I22 HydrophobicContact CE1-CG1 4.26Å; F18-I22 HydrophobicContact CE2-CD1 4.48Å; F18-I22 HydrophobicContact CG-CD1 4.42Å; F18-I22 HydrophobicContact CZ-CD1 3.71Å; F18-I22 HydrophobicContact CZ-CG1 4.39Å; F18-I22 WeakPolarHBondContact O-CG1 3.3Å; F18-I22 PolarHBondContact O-N 3.45Å
19	L	87.6	Confident	79.9	Confident	107 Å²	107	103.9 Å²	103.9	56%	0.56	54%	0.536	S	S	*	.	H	α-helix	trans	-63.8	-39.4	175.7	-72.8	171.7	0	0	0	112.3	V15 S16 I22 F23	V15-L19 HydrophobicContact CG1-CD1 4Å; V15-L19 HydrophobicContact CG1-CG 4.4Å; V15-L19 VanDerWaalsContact O-CG 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.24Å; V15-L19 PolarHBondContact O-N 2.87Å; S16-L19 PolarHBondContact O-N 3.21Å; L19-I22 PolarHBondContact O-N 2.84Å; L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 PolarHBondContact O-N 3.03Å
20	Q	87.9	Confident	81.5	Confident	123 Å²	123	104.3 Å²	104.3	58%	0.575	54%	0.538	S	S	*	.	H	α-helix	trans	-62.8	-43.5	175	-72.6	177.4	-0.5	0	0	111.9	S16 G17 F23 L24	S16-Q20 WeakPolarHBondContact O-CG 3.18Å; S16-Q20 PolarHBondContact O-N 3.2Å; G17-Q20 PolarHBondContact O-N 2.83Å; Q20-F23 PolarHBondContact O-N 3.08Å; Q20-L24 WeakPolarHBondContact O-CG 3.4Å; Q20-L24 PolarHBondContact O-N 3.24Å
21	V	90.4	Very high	83.3	Confident	79 Å²	79	100 Å²	100	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-63.1	-45.1	176.4	173.1	0	0	0	0	111	G17 F18 F23 L24 I25	G17-V21 WeakPolarHBondContact O-CG2 3.28Å; G17-V21 PolarHBondContact O-N 3.49Å; F18-V21 PolarHBondContact O-N 3.09Å; V21-F23 VanDerWaalsContact C-N 3.32Å; V21-F23 PolarHBondContact O-N 2.8Å; V21-L24 PolarHBondContact O-N 3.17Å; V21-I25 HydrophobicContact CG1-CD1 3.72Å; V21-I25 HydrophobicContact CG1-CG1 4.39Å; V21-I25 WeakPolarHBondContact O-CB 3.36Å; V21-I25 VanDerWaalsContact O-CG1 3.26Å; V21-I25 WeakPolarHBondContact O-CG1 3.37Å; V21-I25 PolarHBondContact O-N 2.84Å
22	I	91.3	Very high	85.2	Confident	85 Å²	85	98.3 Å²	98.3	44%	0.436	52%	0.522	S	S	.	.	H	α-helix	trans	-58.9	-44.6	174.9	-72.1	172.5	0	0	0	111	F18 L19 I25 G26	F18-I22 HydrophobicContact CD1-CD1 3.63Å; F18-I22 HydrophobicContact CD1-CG1 4.5Å; F18-I22 HydrophobicContact CE1-CD1 3.23Å; F18-I22 HydrophobicContact CE1-CG1 4.26Å; F18-I22 HydrophobicContact CE2-CD1 4.48Å; F18-I22 HydrophobicContact CG-CD1 4.42Å; F18-I22 HydrophobicContact CZ-CD1 3.71Å; F18-I22 HydrophobicContact CZ-CG1 4.39Å; F18-I22 WeakPolarHBondContact O-CG1 3.3Å; F18-I22 PolarHBondContact O-N 3.45Å; L19-I22 PolarHBondContact O-N 2.84Å; I22-I25 PolarHBondContact O-N 3.05Å; I22-G26 PolarHBondContact O-N 3.21Å
23	F	92.6	Very high	86.8	Confident	146 Å²	146	99 Å²	99	64%	0.64	52%	0.52	S	S	*	.	H	α-helix	trans	-62	-45.6	178.9	179.2	-98.3	0	0	0	112	L19 Q20 V21 G26 L27	L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 PolarHBondContact O-N 3.03Å; Q20-F23 PolarHBondContact O-N 3.08Å; V21-F23 VanDerWaalsContact C-N 3.32Å; V21-F23 PolarHBondContact O-N 2.8Å; F23-G26 PolarHBondContact O-N 3.33Å; F23-L27 PolarHBondContact O-N 2.92Å
24	L	93.6	Very high	88.2	Confident	110 Å²	110	95.2 Å²	95.2	58%	0.576	51%	0.512	S	S	*	.	H	α-helix	trans	-63.4	-42.7	176.8	-72.6	172.7	0	0	0	112.2	Q20 V21 G26 L27 L28	Q20-L24 WeakPolarHBondContact O-CG 3.4Å; Q20-L24 PolarHBondContact O-N 3.24Å; V21-L24 PolarHBondContact O-N 3.17Å; L24-G26 VanDerWaalsContact C-N 3.33Å; L24-G26 PolarHBondContact O-N 2.82Å; L24-L27 PolarHBondContact O-N 2.9Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.89Å
25	I	93.6	Very high	89.6	Confident	92 Å²	92	93 Å²	93	47%	0.472	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-44.3	174	-68.5	168.5	0	0	0	110.1	V21 I22 L27 L28 L29	V21-I25 HydrophobicContact CG1-CD1 3.72Å; V21-I25 HydrophobicContact CG1-CG1 4.39Å; V21-I25 WeakPolarHBondContact O-CB 3.36Å; V21-I25 VanDerWaalsContact O-CG1 3.26Å; V21-I25 WeakPolarHBondContact O-CG1 3.37Å; V21-I25 PolarHBondContact O-N 2.84Å; I22-I25 PolarHBondContact O-N 3.05Å; I25-L27 PolarHBondContact O-N 3.13Å; I25-L28 PolarHBondContact O-N 3.22Å; I25-L29 HydrophobicContact CG2-CD1 3.99Å; I25-L29 HydrophobicContact CG2-CG 4.4Å; I25-L29 WeakPolarHBondContact O-CB 3.2Å; I25-L29 VanDerWaalsContact O-CG 3.27Å; I25-L29 WeakPolarHBondContact O-CG 3.41Å; I25-L29 PolarHBondContact O-N 2.78Å
26	G	93.7	Very high	90.6	Very high	29 Å²	29	94.1 Å²	94.1	30%	0.299	50%	0.502	S	S	.	.	H	α-helix	trans	-59.4	-44.6	175.9	0	0	0	0	0	112.8	I22 F23 L24 L29 L30	I22-G26 PolarHBondContact O-N 3.21Å; F23-G26 PolarHBondContact O-N 3.33Å; L24-G26 VanDerWaalsContact C-N 3.33Å; L24-G26 PolarHBondContact O-N 2.82Å; G26-L29 PolarHBondContact O-N 3.33Å; G26-L30 WeakPolarHBondContact O-CB 3.21Å; G26-L30 WeakPolarHBondContact O-CG 3.39Å; G26-L30 PolarHBondContact O-N 2.59Å
27	L	94	Very high	91.3	Very high	80 Å²	80	93.1 Å²	93.1	42%	0.419	49%	0.49	S	S	.	.	H	α-helix	trans	-64.6	-43.7	176.6	-172	71.3	0	0	0	111.7	F23 L24 I25 L29 L30 L31	F23-L27 PolarHBondContact O-N 2.92Å; L24-L27 PolarHBondContact O-N 2.9Å; I25-L27 PolarHBondContact O-N 3.13Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.72Å; L27-L30 PolarHBondContact O-N 3.47Å; L27-L31 HydrophobicContact CG-CD1 4.38Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 2.85Å
28	L	94.8	Very high	91.7	Very high	121 Å²	121	98.2 Å²	98.2	63%	0.634	50%	0.501	S	S	*	.	H	α-helix	trans	-61.5	-43	176.5	-171.5	77.3	0	0	0	111.3	L24 I25 L31 F32	L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.89Å; I25-L28 PolarHBondContact O-N 3.22Å; L28-L31 PolarHBondContact O-N 3.15Å; L28-F32 VanDerWaalsContact O-CB 3.31Å; L28-F32 WeakPolarHBondContact O-CB 3.36Å; L28-F32 PolarHBondContact O-N 3.43Å
29	L	94.2	Very high	92.3	Very high	102 Å²	102	97.1 Å²	97.1	53%	0.534	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-41	175.4	-72.4	172.9	0	0	0	111.9	I25 G26 L27 F32 K33	I25-L29 HydrophobicContact CG2-CD1 3.99Å; I25-L29 HydrophobicContact CG2-CG 4.4Å; I25-L29 WeakPolarHBondContact O-CB 3.2Å; I25-L29 VanDerWaalsContact O-CG 3.27Å; I25-L29 WeakPolarHBondContact O-CG 3.41Å; I25-L29 PolarHBondContact O-N 2.78Å; G26-L29 PolarHBondContact O-N 3.33Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.72Å; L29-F32 PolarHBondContact O-N 3.4Å; L29-K33 WeakPolarHBondContact O-CB 3.43Å; L29-K33 VanDerWaalsContact O-CG 3.23Å; L29-K33 WeakPolarHBondContact O-CG 3.3Å; L29-K33 PolarHBondContact O-N 2.83Å
30	L	92.5	Very high	92.5	Very high	123 Å²	123	97.5 Å²	97.5	64%	0.644	50%	0.495	S	S	*	.	H	α-helix	trans	-63.1	-46.4	175	-77.7	166.3	0	0	0	111.8	G26 L27 K33 A34	G26-L30 WeakPolarHBondContact O-CB 3.21Å; G26-L30 WeakPolarHBondContact O-CG 3.39Å; G26-L30 PolarHBondContact O-N 2.59Å; L27-L30 PolarHBondContact O-N 3.47Å; L30-K33 PolarHBondContact O-N 3.08Å; L30-A34 WeakPolarHBondContact O-CB 3.25Å; L30-A34 PolarHBondContact O-N 3.33Å
31	L	94.2	Very high	92.8	Very high	109 Å²	109	93.1 Å²	93.1	57%	0.571	47%	0.473	S	S	*	.	H	α-helix	trans	-62.2	-44.2	176.5	-74.5	172.8	0	0	0	111.6	L27 L28 K33 A34 A35	L27-L31 HydrophobicContact CG-CD1 4.38Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 2.85Å; L28-L31 PolarHBondContact O-N 3.15Å; L31-K33 PolarHBondContact O-N 3Å; L31-A34 PolarHBondContact O-N 3.39Å; L31-A35 WeakPolarHBondContact O-CB 3.36Å; L31-A35 PolarHBondContact O-N 3.3Å
32	F	94.5	Very high	93	Very high	119 Å²	119	92.2 Å²	92.2	52%	0.522	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-44	175.3	-179.8	-106	0	0	0	111.5	L28 L29 A35 Q36	L28-F32 VanDerWaalsContact O-CB 3.31Å; L28-F32 WeakPolarHBondContact O-CB 3.36Å; L28-F32 PolarHBondContact O-N 3.43Å; L29-F32 PolarHBondContact O-N 3.4Å; F32-A35 PolarHBondContact O-N 3.34Å; F32-Q36 HydrophobicContact CD1-CG 4.39Å; F32-Q36 HydrophobicContact CE1-CG 4.12Å; F32-Q36 HydrophobicContact CE2-CG 4.49Å; F32-Q36 HydrophobicContact CZ-CG 4.17Å; F32-Q36 WeakPolarHBondContact O-CB 3.32Å; F32-Q36 WeakPolarHBondContact O-CG 3.48Å; F32-Q36 PolarHBondContact O-N 3.44Å
33	K	90.3	Very high	93.2	Very high	133 Å²	133	94.5 Å²	94.5	58%	0.578	47%	0.467	S	S	*	.	H	α-helix	trans	-64.5	-39	175	-73.1	-69.7	178.6	-166.6	0	112.5	L29 L30 L31 Q36 H37	L29-K33 WeakPolarHBondContact O-CB 3.43Å; L29-K33 VanDerWaalsContact O-CG 3.23Å; L29-K33 WeakPolarHBondContact O-CG 3.3Å; L29-K33 PolarHBondContact O-N 2.83Å; L30-K33 PolarHBondContact O-N 3.08Å; L31-K33 PolarHBondContact O-N 3Å; K33-Q36 PolarHBondContact O-N 3.18Å; K33-H37 WeakPolarHBondContact O-CB 3.41Å; K33-H37 PolarHBondContact O-N 3.43Å
34	A	90.5	Very high	93.3	Very high	57 Å²	57	87.8 Å²	87.8	47%	0.471	44%	0.438	S	S	.	.	H	α-helix	trans	-64.6	-43.8	175.3	0	0	0	0	0	111.5	L30 L31 H37 Y38	L30-A34 WeakPolarHBondContact O-CB 3.25Å; L30-A34 PolarHBondContact O-N 3.33Å; L31-A34 PolarHBondContact O-N 3.39Å; A34-H37 PolarHBondContact O-N 2.68Å; A34-Y38 WeakPolarHBondContact O-CB 3.34Å; A34-Y38 PolarHBondContact O-N 2.97Å
35	A	93.2	Very high	93.3	Very high	48 Å²	48	85.9 Å²	85.9	40%	0.397	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-45.3	174.9	0	0	0	0	0	111.7	L31 F32 H37 Y38 L39	L31-A35 WeakPolarHBondContact O-CB 3.36Å; L31-A35 PolarHBondContact O-N 3.3Å; F32-A35 PolarHBondContact O-N 3.34Å; A35-H37 VanDerWaalsContact C-N 3.34Å; A35-H37 PolarHBondContact O-N 2.78Å; A35-Y38 PolarHBondContact O-N 3.08Å; A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 VanDerWaalsContact O-CG 3.27Å; A35-L39 WeakPolarHBondContact O-CG 3.49Å; A35-L39 PolarHBondContact O-N 3.46Å
36	Q	92.4	Very high	93.3	Very high	84 Å²	84	90.8 Å²	90.8	39%	0.393	44%	0.44	S	S	.	.	H	α-helix	trans	-58.6	-44	173.8	-75.6	-173	-31.1	0	0	112.1	F32 K33 R40	F32-Q36 HydrophobicContact CD1-CG 4.39Å; F32-Q36 HydrophobicContact CE1-CG 4.12Å; F32-Q36 HydrophobicContact CE2-CG 4.49Å; F32-Q36 HydrophobicContact CZ-CG 4.17Å; F32-Q36 WeakPolarHBondContact O-CB 3.32Å; F32-Q36 WeakPolarHBondContact O-CG 3.48Å; F32-Q36 PolarHBondContact O-N 3.44Å; K33-Q36 PolarHBondContact O-N 3.18Å; Q36-R40 WeakPolarHBondContact O-CB 3.43Å; Q36-R40 PolarHBondContact O-N 3.42Å
37	H	89.9	Confident	93.4	Very high	39 Å²	39	90.8 Å²	90.8	18%	0.181	44%	0.438	C	S	.	.	H	α-helix	trans	-62.2	-47.9	177.4	-178.4	-77	0	0	0	111.3	K33 A34 A35 R40 R41 W91 S93	K33-H37 WeakPolarHBondContact O-CB 3.41Å; K33-H37 PolarHBondContact O-N 3.43Å; A34-H37 PolarHBondContact O-N 2.68Å; A35-H37 VanDerWaalsContact C-N 3.34Å; A35-H37 PolarHBondContact O-N 2.78Å; H37-R40 PolarHBondContact O-N 3.05Å; H37-R41 WeakPolarHBondContact O-CB 3.36Å; H37-R41 PolarHBondContact O-N 2.94Å; H37-W91 PolarHBondContact NE2-O 3.41Å; H37-S93 WeakPolarHBondContact CD2-CB 3.44Å; H37-S93 PolarHBondContact CD2-OG 2.8Å; H37-S93 WeakPolarHBondContact NE2-CB 3.23Å; H37-S93 PolarHBondContact NE2-OG 3.37Å
38	Y	92.3	Very high	93.5	Very high	138 Å²	138	87 Å²	87	54%	0.541	42%	0.418	S	S	.	.	H	α-helix	trans	-61.3	-51.6	178.1	178.9	-101.1	0	0	0	112.1	A34 A35 R40 R41 Q42	A34-Y38 WeakPolarHBondContact O-CB 3.34Å; A34-Y38 PolarHBondContact O-N 2.97Å; A35-Y38 PolarHBondContact O-N 3.08Å; Y38-R40 VanDerWaalsContact C-N 3.31Å; Y38-R40 PolarHBondContact O-N 2.68Å; Y38-R41 PolarHBondContact O-N 3.42Å; Y38-Q42 HydrophobicContact CD1-CG 4.2Å; Y38-Q42 HydrophobicContact CD2-CG 4.48Å; Y38-Q42 HydrophobicContact CE1-CG 3.81Å; Y38-Q42 HydrophobicContact CE2-CG 4.1Å; Y38-Q42 WeakPolarHBondContact O-CG 3.41Å; Y38-Q42 PolarHBondContact O-N 3.48Å; Y38-Q42 PolarHBondContact OH-NE2 3.01Å
39	L	94.1	Very high	93.4	Very high	116 Å²	116	89.5 Å²	89.5	61%	0.607	42%	0.42	S	S	*	.	H	α-helix	trans	-60.4	-41.7	178.9	-70.3	174.2	0	0	0	111.6	A35 Q42 W43	A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 VanDerWaalsContact O-CG 3.27Å; A35-L39 WeakPolarHBondContact O-CG 3.49Å; A35-L39 PolarHBondContact O-N 3.46Å; L39-Q42 PolarHBondContact O-N 3.23Å; L39-W43 WeakPolarHBondContact O-CB 3.4Å; L39-W43 PolarHBondContact O-N 2.93Å
40	R	93.5	Very high	93.5	Very high	114 Å²	114	87.7 Å²	87.7	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-44	175.5	-179.2	171.6	176.3	-168.2	-6.7	111.8	Q36 H37 Y38 W43 L44 S93 H94	Q36-R40 WeakPolarHBondContact O-CB 3.43Å; Q36-R40 PolarHBondContact O-N 3.42Å; H37-R40 PolarHBondContact O-N 3.05Å; Y38-R40 VanDerWaalsContact C-N 3.31Å; Y38-R40 PolarHBondContact O-N 2.68Å; R40-W43 PolarHBondContact O-N 3.07Å; R40-L44 HydrophobicContact CG-CD1 4.19Å; R40-L44 WeakPolarHBondContact O-CB 3.45Å; R40-L44 VanDerWaalsContact O-CG 3.3Å; R40-L44 WeakPolarHBondContact O-CG 3.49Å; R40-L44 PolarHBondContact O-N 2.7Å; R40-S93 PolarHBondContact NE-O 3.01Å; R40-S93 VanDerWaalsContact NE-O 3.15Å; R40-S93 PolarHBondContact NH2-O 3.36Å; R40-H94 PolarHBondContact NH1-NE2 2.84Å; R40-H94 PolarHBondContact NH2-CD2 3.46Å; R40-H94 VanDerWaalsContact NH2-CD2 3.33Å; R40-H94 PolarHBondContact NH2-NE2 3.43Å
41	R	93.4	Very high	93.6	Very high	32 Å²	32	82.2 Å²	82.2	12%	0.121	38%	0.38	C	S	.	.	H	α-helix	trans	-61.8	-44.9	175.9	-178.5	178.1	175.8	110.7	2.6	111.1	H37 Y38 W43 L44 L45 S56 H57 W58 W89 G92	H37-R41 WeakPolarHBondContact O-CB 3.36Å; H37-R41 PolarHBondContact O-N 2.94Å; Y38-R41 PolarHBondContact O-N 3.42Å; R41-W43 PolarHBondContact O-N 3.43Å; R41-L44 PolarHBondContact O-N 2.77Å; R41-L45 HydrophobicContact CG-CD1 4.06Å; R41-L45 HydrophobicContact CG-CG 4.42Å; R41-L45 WeakPolarHBondContact O-CG 3.45Å; R41-L45 PolarHBondContact O-N 3.2Å; R41-S56 PolarHBondContact NH2-OG 3.34Å; R41-H57 PolarHBondContact NH1-O 3.48Å; R41-W58 VanDerWaalsContact CZ-CA 3.47Å; R41-W58 VanDerWaalsContact NH1-C 3.26Å; R41-W58 PolarHBondContact NH1-O 3Å; R41-W89 HydrophobicContact CG-CH2 4.41Å; R41-W89 HydrophobicContact CG-CZ3 4.18Å; R41-G92 VanDerWaalsContact CD-O 3.28Å; R41-G92 WeakPolarHBondContact CD-O 3.33Å; R41-G92 VanDerWaalsContact CG-O 3.26Å; R41-G92 WeakPolarHBondContact CG-O 3.46Å; R41-G92 VanDerWaalsContact NH1-CA 3.33Å; R41-G92 PolarHBondContact NH1-O 2.88Å
42	Q	94	Very high	93.7	Very high	59 Å²	59	78.9 Å²	78.9	28%	0.276	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-43.8	177.6	-71.2	-63	-15.7	0	0	112.1	Y38 L39 L45 R46	Y38-Q42 HydrophobicContact CD1-CG 4.2Å; Y38-Q42 HydrophobicContact CD2-CG 4.48Å; Y38-Q42 HydrophobicContact CE1-CG 3.81Å; Y38-Q42 HydrophobicContact CE2-CG 4.1Å; Y38-Q42 WeakPolarHBondContact O-CG 3.41Å; Y38-Q42 PolarHBondContact O-N 3.48Å; Y38-Q42 PolarHBondContact OH-NE2 3.01Å; L39-Q42 PolarHBondContact O-N 3.23Å; Q42-L45 PolarHBondContact O-N 2.89Å; Q42-R46 WeakPolarHBondContact O-CG 3.48Å; Q42-R46 PolarHBondContact O-N 2.89Å; Q42-R46 VanDerWaalsContact O-N 3.11Å
43	W	95.2	Very high	93.6	Very high	133 Å²	133	75.2 Å²	75.2	50%	0.504	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-46.7	173.3	173.7	78.6	0	0	0	111.7	L39 R40 R41 L45 R46 A47 P405 I408	L39-W43 WeakPolarHBondContact O-CB 3.4Å; L39-W43 PolarHBondContact O-N 2.93Å; R40-W43 PolarHBondContact O-N 3.07Å; R41-W43 PolarHBondContact O-N 3.43Å; W43-L45 PolarHBondContact O-N 3.18Å; W43-R46 PolarHBondContact O-N 3.01Å; W43-A47 HydrophobicContact CZ2-CB 4.26Å; W43-A47 VanDerWaalsContact O-CB 3.23Å; W43-A47 WeakPolarHBondContact O-CB 3.22Å; W43-A47 PolarHBondContact O-N 2.86Å; W43-P405 HydrophobicContact CZ2-CG 4.41Å; W43-I408 HydrophobicContact CH2-CD1 4.21Å; W43-I408 HydrophobicContact CZ3-CD1 4.45Å
44	L	95.5	Very high	93.7	Very high	6 Å²	6	69 Å²	69	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-42.2	178.9	-75.2	171.5	0	0	0	112.6	R40 R41 R46 A47 L48 W89 S93 V95 I408	R40-L44 HydrophobicContact CG-CD1 4.19Å; R40-L44 WeakPolarHBondContact O-CB 3.45Å; R40-L44 VanDerWaalsContact O-CG 3.3Å; R40-L44 WeakPolarHBondContact O-CG 3.49Å; R40-L44 PolarHBondContact O-N 2.7Å; R41-L44 PolarHBondContact O-N 2.77Å; L44-R46 VanDerWaalsContact C-N 3.33Å; L44-R46 PolarHBondContact O-N 2.78Å; L44-A47 PolarHBondContact O-N 3.01Å; L44-L48 HydrophobicContact CD2-CD1 4.31Å; L44-L48 VanDerWaalsContact O-CB 3.29Å; L44-L48 WeakPolarHBondContact O-CB 3.38Å; L44-L48 WeakPolarHBondContact O-CG 3.15Å; L44-L48 PolarHBondContact O-N 3.25Å; L44-W89 HydrophobicContact CB-CH2 3.6Å; L44-W89 HydrophobicContact CB-CZ3 4.11Å; L44-W89 HydrophobicContact CD1-CH2 4.28Å; L44-W89 HydrophobicContact CD1-CZ3 3.93Å; L44-S93 VanDerWaalsContact CD1-O 3.25Å; L44-S93 WeakPolarHBondContact CD1-O 3.29Å; L44-V95 HydrophobicContact CB-CG1 4.42Å; L44-V95 HydrophobicContact CD1-CG1 3.84Å; L44-V95 HydrophobicContact CD2-CG1 3.62Å; L44-V95 HydrophobicContact CG-CG1 4.17Å; L44-I408 HydrophobicContact CD2-CD1 3.91Å
45	L	93.5	Very high	93.7	Very high	69 Å²	69	71 Å²	71	36%	0.361	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-43.5	176.7	-73.3	168.1	0	0	0	111.4	R41 Q42 W43 Y49 W89	R41-L45 HydrophobicContact CG-CD1 4.06Å; R41-L45 HydrophobicContact CG-CG 4.42Å; R41-L45 WeakPolarHBondContact O-CG 3.45Å; R41-L45 PolarHBondContact O-N 3.2Å; Q42-L45 PolarHBondContact O-N 2.89Å; W43-L45 PolarHBondContact O-N 3.18Å; L45-Y49 PolarHBondContact O-N 3.44Å; L45-W89 HydrophobicContact CD2-CH2 4.03Å; L45-W89 HydrophobicContact CD2-CZ2 3.62Å; L45-W89 HydrophobicContact CG-CH2 4.05Å; L45-W89 HydrophobicContact CG-CZ2 4.16Å
46	R	94.7	Very high	93.6	Very high	195 Å²	195	70.3 Å²	70.3	74%	0.736	33%	0.328	S	S	*	.	H	α-helix	trans	-68.9	-40.5	175.8	-68.6	178.1	-172.8	176.4	1	112.5	Q42 W43 L44 L48 Y49	Q42-R46 WeakPolarHBondContact O-CG 3.48Å; Q42-R46 PolarHBondContact O-N 2.89Å; Q42-R46 VanDerWaalsContact O-N 3.11Å; W43-R46 PolarHBondContact O-N 3.01Å; L44-R46 VanDerWaalsContact C-N 3.33Å; L44-R46 PolarHBondContact O-N 2.78Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 3.25Å; R46-Y49 VanDerWaalsContact O-CD1 3.24Å; R46-Y49 WeakPolarHBondContact O-CD1 3.38Å
47	A	94.3	Very high	93.5	Very high	29 Å²	29	69.9 Å²	69.9	24%	0.24	33%	0.326	C	S	.	.	H	α-helix	trans	-70.9	-23.5	-177.6	0	0	0	0	0	113.2	W43 L44 P405	W43-A47 HydrophobicContact CZ2-CB 4.26Å; W43-A47 VanDerWaalsContact O-CB 3.23Å; W43-A47 WeakPolarHBondContact O-CB 3.22Å; W43-A47 PolarHBondContact O-N 2.86Å; L44-A47 PolarHBondContact O-N 3.01Å; A47-P405 HydrophobicContact CB-CG 4.16Å
48	L	95.9	Very high	93.4	Very high	2 Å²	2	75.7 Å²	75.7	1%	0.01	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	15.8	-173	-56.6	175.4	0	0	0	113	L44 R46 Q50 F51 L87 V95 L404 I408	L44-L48 HydrophobicContact CD2-CD1 4.31Å; L44-L48 VanDerWaalsContact O-CB 3.29Å; L44-L48 WeakPolarHBondContact O-CB 3.38Å; L44-L48 WeakPolarHBondContact O-CG 3.15Å; L44-L48 PolarHBondContact O-N 3.25Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 3.25Å; L48-Q50 PolarHBondContact O-N 3.41Å; L48-Q50 VanDerWaalsContact O-N 3.08Å; L48-F51 PolarHBondContact O-N 3.03Å; L48-L87 HydrophobicContact CB-CD1 3.77Å; L48-L87 HydrophobicContact CB-CD2 4.08Å; L48-L87 HydrophobicContact CD1-CD1 4.34Å; L48-L87 HydrophobicContact CD1-CD2 3.95Å; L48-L87 HydrophobicContact CG-CD2 4.48Å; L48-V95 HydrophobicContact CD1-CB 4.37Å; L48-V95 HydrophobicContact CD1-CG1 3.42Å; L48-V95 VanDerWaalsContact CD1-CG1 3.42Å; L48-V95 HydrophobicContact CD1-CG2 4.05Å; L48-L404 HydrophobicContact CD2-CD2 3.43Å; L48-L404 VanDerWaalsContact CD2-CD2 3.43Å; L48-I408 HydrophobicContact CD1-CD1 4.36Å; L48-I408 HydrophobicContact CD2-CD1 4.15Å; L48-I408 HydrophobicContact CD2-CG1 4.2Å; L48-I408 HydrophobicContact CD2-CG2 4.47Å
49	Y	94.5	Very high	93.1	Very high	172 Å²	172	72 Å²	72	68%	0.675	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.6	-175	81.9	-84.9	0	0	0	113.9	L45 R46 F51	L45-Y49 PolarHBondContact O-N 3.44Å; R46-Y49 VanDerWaalsContact O-CD1 3.24Å; R46-Y49 WeakPolarHBondContact O-CD1 3.38Å; Y49-F51 PolarHBondContact O-N 3.31Å
50	Q	94.6	Very high	92.8	Very high	64 Å²	64	69.3 Å²	69.3	30%	0.299	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.4	179.4	-62.6	179.4	-17.9	0	0	113.3	L48 R402	L48-Q50 PolarHBondContact O-N 3.41Å; L48-Q50 VanDerWaalsContact O-N 3.08Å; Q50-R402 HydrophobicContact CB-CB 4.34Å; Q50-R402 HydrophobicContact CB-CG 4.01Å; Q50-R402 WeakPolarHBondContact O-CD 3.42Å; Q50-R402 VanDerWaalsContact OE1-CA 3.25Å
51	F	96.1	Very high	92.7	Very high	9 Å²	9	63.9 Å²	63.9	4%	0.039	30%	0.299	C	S	.	.	S	Bend	trans	-105.6	131.4	-178.6	-66.4	-73.5	0	0	0	110.8	L48 Y49 A85 L87 I97 Y104 F398 R402 S403 L404	L48-F51 PolarHBondContact O-N 3.03Å; Y49-F51 PolarHBondContact O-N 3.31Å; F51-A85 HydrophobicContact CD1-CB 4.28Å; F51-A85 HydrophobicContact CE1-CB 4.46Å; F51-L87 HydrophobicContact CB-CD1 4.5Å; F51-L87 HydrophobicContact CB-CD2 3.79Å; F51-L87 HydrophobicContact CB-CG 3.96Å; F51-I97 HydrophobicContact CB-CD1 4.4Å; F51-I97 HydrophobicContact CD1-CD1 3.42Å; F51-I97 VanDerWaalsContact CD1-CD1 3.42Å; F51-I97 HydrophobicContact CD2-CD1 3.95Å; F51-I97 HydrophobicContact CE1-CD1 3.6Å; F51-I97 HydrophobicContact CE2-CD1 4.08Å; F51-I97 HydrophobicContact CG-CD1 3.61Å; F51-I97 HydrophobicContact CZ-CD1 3.91Å; F51-Y104 AromaticContact CE1-CE1 3.72Å; F51-Y104 HydrophobicContact CE1-CE1 3.72Å; F51-Y104 HydrophobicContact CZ-CE1 4.29Å; F51-F398 HydrophobicContact CE1-CE2 4.39Å; F51-F398 HydrophobicContact CZ-CD2 4.02Å; F51-F398 AromaticContact CZ-CE2 3.86Å; F51-F398 HydrophobicContact CZ-CE2 3.86Å; F51-R402 HydrophobicContact CE1-CB 4.11Å; F51-R402 HydrophobicContact CE2-CB 4.43Å; F51-R402 HydrophobicContact CZ-CB 3.74Å; F51-S403 WeakPolarHBondContact CE2-O 3.31Å; F51-L404 HydrophobicContact CD2-CD2 3.77Å; F51-L404 HydrophobicContact CE2-CD2 3.29Å; F51-L404 HydrophobicContact CE2-CG 3.79Å; F51-L404 HydrophobicContact CZ-CD2 4Å; F51-L404 HydrophobicContact CZ-CG 4.06Å
52	P	95.2	Very high	92.5	Very high	38 Å²	38	62.4 Å²	62.4	25%	0.247	29%	0.293	C	S	.	.			trans	-64.1	148.4	176.9	28.1	-34.5	0	0	0	110.7	F82 A85 F86 L87	P52-F82 HydrophobicContact CB-CB 4.44Å; P52-F82 HydrophobicContact CB-CD1 3.32Å; P52-F82 HydrophobicContact CB-CD2 4.29Å; P52-F82 HydrophobicContact CB-CE1 3.48Å; P52-F82 VanDerWaalsContact CB-CE1 3.48Å; P52-F82 HydrophobicContact CB-CE2 4.4Å; P52-F82 HydrophobicContact CB-CG 3.76Å; P52-F82 HydrophobicContact CB-CZ 4.03Å; P52-F82 HydrophobicContact CG-CB 3.87Å; P52-F82 HydrophobicContact CG-CD1 3.59Å; P52-F82 HydrophobicContact CG-CE1 4.27Å; P52-F82 HydrophobicContact CG-CG 3.75Å; P52-A85 WeakPolarHBondContact CD-O 3.47Å; P52-A85 VanDerWaalsContact CG-O 3.28Å; P52-A85 WeakPolarHBondContact CG-O 3.18Å; P52-F86 HydrophobicContact CG-CB 4.25Å; P52-F86 CarbonylContact O-C 3.56Å; P52-F86 VanDerWaalsContact O-CA 3.28Å; P52-F86 WeakPolarHBondContact O-CA 3.19Å; P52-F86 WeakPolarHBondContact O-CB 3.49Å; P52-L87 PolarHBondContact O-N 3.45Å
53	S	93	Very high	92	Very high	43 Å²	43	61.3 Å²	61.3	30%	0.301	29%	0.292	S	S	.	.			trans	-131.4	132	175.5	-177.2	0	0	0	0	109	W89	S53-W89 PolarHBondContact OG-NE1 2.85Å
54	P	92	Very high	91.3	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	30%	0.297	C	S	.	.			trans	-54.8	151.2	159	-22	33.7	0	0	0	110.5	S56 H62 W74 Y78 F82 F86 L87	P54-S56 PolarHBondContact O-N 3.42Å; P54-H62 PolarHBondContact O-NE2 2.92Å; P54-W74 HydrophobicContact CB-CZ2 4.36Å; P54-W74 HydrophobicContact CG-CH2 4.31Å; P54-W74 HydrophobicContact CG-CZ2 4.23Å; P54-Y78 HydrophobicContact CB-CD1 3.9Å; P54-Y78 HydrophobicContact CB-CD2 4.31Å; P54-Y78 HydrophobicContact CB-CE1 3.51Å; P54-Y78 HydrophobicContact CB-CE2 3.97Å; P54-Y78 HydrophobicContact CB-CG 4.28Å; P54-Y78 HydrophobicContact CG-CD1 3.63Å; P54-Y78 HydrophobicContact CG-CD2 3.96Å; P54-Y78 HydrophobicContact CG-CE1 3.81Å; P54-Y78 HydrophobicContact CG-CE2 4.14Å; P54-Y78 HydrophobicContact CG-CG 3.7Å; P54-F82 HydrophobicContact CG-CE2 4.2Å; P54-F86 HydrophobicContact CG-CD2 4.22Å; P54-L87 VanDerWaalsContact CD-O 3.3Å; P54-L87 WeakPolarHBondContact CD-O 3.27Å
55	P	90.9	Very high	90.7	Very high	101 Å²	101	63.5 Å²	63.5	66%	0.656	31%	0.31	S	S	*	.			trans	-49.8	133.1	173	-25.9	34.3	0	0	0	110.2	H62 Q65	P55-H62 PolarHBondContact O-CD2 2.94Å; P55-H62 PolarHBondContact O-NE2 3.39Å; P55-Q65 PolarHBondContact O-NE2 3.36Å
56	S	91.1	Very high	90	Very high	33 Å²	33	61.7 Å²	61.7	23%	0.231	30%	0.3	C	S	.	.			trans	-131.5	139.2	-175.3	75	0	0	0	0	111.3	R41 P54 H62	R41-S56 PolarHBondContact NH2-OG 3.34Å; P54-S56 PolarHBondContact O-N 3.42Å; S56-H62 WeakPolarHBondContact CB-NE2 3.32Å
57	H	90.9	Very high	89.3	Confident	75 Å²	75	59.4 Å²	59.4	35%	0.347	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-66.5	142	173.8	-173.5	-73.8	0	0	0	110	R41 L59 F60 G61	R41-H57 PolarHBondContact NH1-O 3.48Å; H57-L59 VanDerWaalsContact C-N 3.31Å; H57-L59 PolarHBondContact ND1-N 3.07Å; H57-L59 PolarHBondContact O-N 3.38Å; H57-F60 HydrophobicContact CB-CB 4.27Å; H57-F60 AromaticContact CE1-CD2 3.62Å; H57-F60 AromaticContact ND1-CD2 3.57Å; H57-F60 PolarHBondContact ND1-N 2.84Å; H57-F60 VanDerWaalsContact ND1-N 3.15Å; H57-G61 WeakPolarHBondContact CB-O 3.27Å; H57-G61 PolarHBondContact N-O 2.94Å; H57-G61 VanDerWaalsContact O-CA 3.31Å; H57-G61 WeakPolarHBondContact O-CA 3.28Å; H57-G61 PolarHBondContact O-N 3.04Å
58	W	87.4	Confident	88.2	Confident	160 Å²	160	62.3 Å²	62.3	61%	0.606	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-39	-175.4	75.9	-93.7	0	0	0	113.1	R41 G92	R41-W58 VanDerWaalsContact CZ-CA 3.47Å; R41-W58 VanDerWaalsContact NH1-C 3.26Å; R41-W58 PolarHBondContact NH1-O 3Å; W58-G92 VanDerWaalsContact O-CA 3.31Å; W58-G92 WeakPolarHBondContact O-CA 3.44Å
59	L	86.4	Confident	87.2	Confident	60 Å²	60	63.7 Å²	63.7	31%	0.314	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-56.8	174.7	-173.1	59.2	0	0	0	113.8	H57 W91 G92	H57-L59 VanDerWaalsContact C-N 3.31Å; H57-L59 PolarHBondContact ND1-N 3.07Å; H57-L59 PolarHBondContact O-N 3.38Å; L59-W91 CarbonylContact O-C 3.59Å; L59-W91 WeakPolarHBondContact O-CA 3.44Å; L59-G92 WeakPolarHBondContact O-CA 3.36Å; L59-G92 PolarHBondContact O-N 3.4Å
60	F	86.7	Confident	86.7	Confident	60 Å²	60	58.7 Å²	58.7	26%	0.263	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-8.8	-172.3	-60.1	-81	0	0	0	115.2	H57 H62 C63 L64 W91	H57-F60 HydrophobicContact CB-CB 4.27Å; H57-F60 AromaticContact CE1-CD2 3.62Å; H57-F60 AromaticContact ND1-CD2 3.57Å; H57-F60 PolarHBondContact ND1-N 2.84Å; H57-F60 VanDerWaalsContact ND1-N 3.15Å; F60-H62 PolarHBondContact O-N 3.31Å; F60-C63 WeakPolarHBondContact O-CB 3.47Å; F60-C63 PolarHBondContact O-N 2.93Å; F60-C63 PolarHBondContact O-SG 3.11Å; F60-L64 HydrophobicContact CB-CD1 3.81Å; F60-L64 HydrophobicContact CB-CD2 4.48Å; F60-L64 HydrophobicContact CB-CG 3.73Å; F60-L64 HydrophobicContact CD1-CD2 4.49Å; F60-L64 HydrophobicContact CD2-CD1 3.62Å; F60-L64 HydrophobicContact CD2-CG 4.34Å; F60-L64 HydrophobicContact CE2-CD1 4.39Å; F60-L64 HydrophobicContact CG-CD1 3.78Å; F60-L64 HydrophobicContact CG-CD2 4.35Å; F60-L64 HydrophobicContact CG-CG 3.99Å; F60-W91 AromaticContact CD1-CE3 3.8Å; F60-W91 HydrophobicContact CD1-CE3 3.8Å; F60-W91 AromaticContact CD1-CH2 3.5Å; F60-W91 HydrophobicContact CD1-CH2 3.5Å; F60-W91 VanDerWaalsContact CD1-CH2 3.5Å; F60-W91 HydrophobicContact CD1-CZ2 4.4Å; F60-W91 AromaticContact CD1-CZ3 3.18Å; F60-W91 HydrophobicContact CD1-CZ3 3.18Å; F60-W91 HydrophobicContact CE1-CE3 4.2Å; F60-W91 AromaticContact CE1-CH2 3.58Å; F60-W91 HydrophobicContact CE1-CH2 3.58Å; F60-W91 AromaticContact CE1-CZ3 3.24Å; F60-W91 HydrophobicContact CE1-CZ3 3.24Å; F60-W91 HydrophobicContact CG-CZ3 4.39Å; F60-W91 HydrophobicContact CZ-CZ3 4.46Å; F60-W91 PolarHBondContact O-N 3.04Å
61	G	90.4	Very high	86.4	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.01	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	61.9	-125.5	-173.6	0	0	0	0	0	111.4	H57	H57-G61 WeakPolarHBondContact CB-O 3.27Å; H57-G61 PolarHBondContact N-O 2.94Å; H57-G61 VanDerWaalsContact O-CA 3.31Å; H57-G61 WeakPolarHBondContact O-CA 3.28Å; H57-G61 PolarHBondContact O-N 3.04Å
62	H	89.9	Confident	86.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-1.7	178.1	-59.6	128.6	0	0	0	113.6	P54 P55 S56 F60 L64 Q65 F66 W74 L87 H88 W89	P54-H62 PolarHBondContact O-NE2 2.92Å; P55-H62 PolarHBondContact O-CD2 2.94Å; P55-H62 PolarHBondContact O-NE2 3.39Å; S56-H62 WeakPolarHBondContact CB-NE2 3.32Å; F60-H62 PolarHBondContact O-N 3.31Å; H62-L64 PolarHBondContact O-N 3.27Å; H62-Q65 WeakPolarHBondContact O-CB 3.31Å; H62-Q65 PolarHBondContact O-N 3.11Å; H62-F66 HydrophobicContact CB-CE1 4.39Å; H62-W74 HydrophobicContact CB-CH2 4.12Å; H62-W74 HydrophobicContact CB-CZ2 3.8Å; H62-W74 AromaticContact CD2-CZ2 3.92Å; H62-W74 AromaticContact CG-CH2 3.94Å; H62-W74 AromaticContact CG-CZ2 3.68Å; H62-W74 AromaticContact ND1-CH2 3.88Å; H62-L87 PolarHBondContact CE1-O 2.62Å; H62-H88 AromaticContact CG-CD2 3.99Å; H62-H88 AromaticContact ND1-CD2 3.46Å; H62-H88 PolarHBondContact ND1-CD2 2.86Å; H62-W89 AromaticContact CE1-CD1 3.68Å; H62-W89 PolarHBondContact CE1-N 3.01Å; H62-W89 PolarHBondContact N-O 2.92Å; H62-W89 PolarHBondContact ND1-N 3.44Å
63	C	83.1	Confident	86.1	Confident	37 Å²	37	60 Å²	60	25%	0.25	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.7	-176	-62.9	0	0	0	0	114.3	F60	F60-C63 WeakPolarHBondContact O-CB 3.47Å; F60-C63 PolarHBondContact O-N 2.93Å; F60-C63 PolarHBondContact O-SG 3.11Å
64	L	81.8	Confident	86	Confident	118 Å²	118	58 Å²	58	62%	0.618	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.5	177.3	-60	179.5	0	0	0	113.6	F60 H62	F60-L64 HydrophobicContact CB-CD1 3.81Å; F60-L64 HydrophobicContact CB-CD2 4.48Å; F60-L64 HydrophobicContact CB-CG 3.73Å; F60-L64 HydrophobicContact CD1-CD2 4.49Å; F60-L64 HydrophobicContact CD2-CD1 3.62Å; F60-L64 HydrophobicContact CD2-CG 4.34Å; F60-L64 HydrophobicContact CE2-CD1 4.39Å; F60-L64 HydrophobicContact CG-CD1 3.78Å; F60-L64 HydrophobicContact CG-CD2 4.35Å; F60-L64 HydrophobicContact CG-CG 3.99Å; H62-L64 PolarHBondContact O-N 3.27Å
65	Q	83	Confident	86.1	Confident	66 Å²	66	57.9 Å²	57.9	31%	0.308	28%	0.284	S	S	.	.	S	Bend	trans	-92.3	-14	-171.9	-63.7	-170.1	-4.6	0	0	114.7	P55 H62	P55-Q65 PolarHBondContact O-NE2 3.36Å; H62-Q65 WeakPolarHBondContact O-CB 3.31Å; H62-Q65 PolarHBondContact O-N 3.11Å
66	F	78.1	Confident	86.2	Confident	32 Å²	32	54.6 Å²	54.6	14%	0.14	26%	0.26	C	S	.	.	S	Bend	trans	-151	146.2	-179.8	56.6	-90.1	0	0	0	110.1	H62 E70 E71 W74 H88	H62-F66 HydrophobicContact CB-CE1 4.39Å; F66-E70 HydrophobicContact CB-CB 4.27Å; F66-E71 HydrophobicContact CD2-CB 3.71Å; F66-E71 HydrophobicContact CD2-CG 4.2Å; F66-E71 HydrophobicContact CE2-CB 3.49Å; F66-E71 VanDerWaalsContact CE2-CB 3.49Å; F66-E71 HydrophobicContact CE2-CG 3.55Å; F66-E71 HydrophobicContact CZ-CB 4.29Å; F66-E71 HydrophobicContact CZ-CG 3.86Å; F66-W74 HydrophobicContact CB-CB 3.91Å; F66-W74 HydrophobicContact CB-CG 4.13Å; F66-W74 HydrophobicContact CD1-CB 3.89Å; F66-W74 AromaticContact CD1-CD1 3.57Å; F66-W74 AromaticContact CD1-CD2 3.54Å; F66-W74 HydrophobicContact CD1-CD2 3.54Å; F66-W74 AromaticContact CD1-CE2 3.86Å; F66-W74 HydrophobicContact CD1-CE3 4.09Å; F66-W74 AromaticContact CD1-CG 3.4Å; F66-W74 HydrophobicContact CD1-CG 3.4Å; F66-W74 VanDerWaalsContact CD1-CG 3.4Å; F66-W74 AromaticContact CD1-NE1 3.8Å; F66-W74 AromaticContact CE1-CD2 3.69Å; F66-W74 HydrophobicContact CE1-CD2 3.69Å; F66-W74 AromaticContact CE1-CE2 3.98Å; F66-W74 AromaticContact CE1-CE3 3.81Å; F66-W74 HydrophobicContact CE1-CE3 3.81Å; F66-W74 HydrophobicContact CE1-CG 4.07Å; F66-W74 HydrophobicContact CE1-CZ2 4.43Å; F66-W74 HydrophobicContact CE1-CZ3 4.25Å; F66-W74 HydrophobicContact CG-CB 4.01Å; F66-W74 HydrophobicContact CG-CG 4.02Å; F66-H88 AromaticContact CE1-NE2 3.9Å; F66-H88 AromaticContact CZ-CE1 3.98Å; F66-H88 AromaticContact CZ-NE2 3.75Å
67	K	79	Confident	86.2	Confident	147 Å²	147	59.9 Å²	59.9	64%	0.639	28%	0.275	S	S	*	.			trans	-71.4	156	165	-61.1	176.7	-179.3	174.7	0	109	D69 E70	K67-D69 WeakPolarHBondContact CB-OD1 3.31Å; K67-D69 PolarHBondContact O-N 3.32Å; K67-E70 HydrophobicContact CB-CG 4.09Å; K67-E70 PolarHBondContact O-N 3.43Å
68	V	72.3	Confident	86.3	Confident	90 Å²	90	58.4 Å²	58.4	55%	0.545	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-32.9	-174.2	164.3	0	0	0	0	113.8	K232	V68-K232 HydrophobicContact CB-CD 4.42Å; V68-K232 HydrophobicContact CG1-CD 3.63Å; V68-K232 HydrophobicContact CG2-CD 4.3Å; V68-K232 PolarHBondContact O-NZ 3.33Å
69	D	74.8	Confident	86.5	Confident	30 Å²	30	50.9 Å²	50.9	16%	0.16	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.6	-179.6	58	-46.6	0	0	0	114.6	K67 K498	K67-D69 WeakPolarHBondContact CB-OD1 3.31Å; K67-D69 PolarHBondContact O-N 3.32Å; D69-K498 HydrophobicContact CB-CD 4.06Å; D69-K498 VanDerWaalsContact OD2-CD 3.28Å; D69-K498 WeakPolarHBondContact OD2-CD 3.36Å; D69-K498 WeakPolarHBondContact OD2-CE 3.36Å; D69-K498 IonicContact OD2-NZ 2.79Å; D69-K498 PolarHBondContact OD2-NZ 3.35Å
70	E	84.9	Confident	86.6	Confident	67 Å²	67	55.3 Å²	55.3	31%	0.313	26%	0.257	S	S	.	.	S	Bend	trans	-109.8	5.9	-179	-47.7	-164.5	119.2	0	0	112.9	F66 K67 L72 R73 W74	F66-E70 HydrophobicContact CB-CB 4.27Å; K67-E70 HydrophobicContact CB-CG 4.09Å; K67-E70 PolarHBondContact O-N 3.43Å; E70-L72 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 2.66Å; E70-R73 VanDerWaalsContact CG-NH2 3.3Å; E70-R73 PolarHBondContact O-N 2.61Å; E70-R73 IonicContact OE1-CZ 3.39Å; E70-R73 IonicContact OE1-NH2 3.7Å; E70-R73 PolarHBondContact OE1-NH2 2.86Å; E70-W74 PolarHBondContact O-N 3.23Å
71	E	87.9	Confident	86.8	Confident	21 Å²	21	59.5 Å²	59.5	10%	0.098	28%	0.276	C	S	.	.	H	α-helix	trans	-56.3	-45.2	-177.5	-176.1	176.7	-174.4	0	0	111.8	F66 R73 W74 I75 H88 K98 K232	F66-E71 HydrophobicContact CD2-CB 3.71Å; F66-E71 HydrophobicContact CD2-CG 4.2Å; F66-E71 HydrophobicContact CE2-CB 3.49Å; F66-E71 VanDerWaalsContact CE2-CB 3.49Å; F66-E71 HydrophobicContact CE2-CG 3.55Å; F66-E71 HydrophobicContact CZ-CB 4.29Å; F66-E71 HydrophobicContact CZ-CG 3.86Å; E71-R73 PolarHBondContact O-N 2.9Å; E71-W74 WeakPolarHBondContact O-CB 3.38Å; E71-W74 PolarHBondContact O-N 3.19Å; E71-I75 HydrophobicContact CG-CD1 3.91Å; E71-I75 HydrophobicContact CG-CG1 4.41Å; E71-I75 VanDerWaalsContact O-CG1 3.25Å; E71-I75 WeakPolarHBondContact O-CG1 3.48Å; E71-I75 PolarHBondContact O-N 3.44Å; E71-H88 IonicContact OE1-CE1 3.1Å; E71-K98 IonicContact OE1-NZ 3.37Å; E71-K98 PolarHBondContact OE1-NZ 2.68Å; E71-K232 WeakPolarHBondContact OE2-CE 3.44Å; E71-K232 IonicContact OE2-NZ 2.65Å; E71-K232 PolarHBondContact OE2-NZ 3.07Å; E71-K232 VanDerWaalsContact OE2-NZ 3.16Å
72	L	92.5	Very high	86.9	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-44	-179.1	-64.9	178.3	0	0	0	111.7	E70 W74 I75 L76 P386 Y415 P489 L495	E70-L72 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 2.66Å; L72-W74 VanDerWaalsContact C-N 3.33Å; L72-W74 PolarHBondContact O-N 3.09Å; L72-I75 WeakPolarHBondContact O-CB 3.48Å; L72-I75 PolarHBondContact O-N 3.5Å; L72-L76 WeakPolarHBondContact O-CG 3.17Å; L72-L76 PolarHBondContact O-N 2.98Å; L72-P386 HydrophobicContact CD2-CB 4.41Å; L72-Y415 HydrophobicContact CB-CE1 4.19Å; L72-Y415 HydrophobicContact CD1-CD2 4.38Å; L72-Y415 HydrophobicContact CD1-CE2 4.22Å; L72-Y415 HydrophobicContact CD2-CD1 4.06Å; L72-Y415 HydrophobicContact CD2-CG 4.13Å; L72-P489 HydrophobicContact CD1-CB 4.21Å; L72-L495 HydrophobicContact CD1-CD1 3.59Å
73	R	91.2	Very high	86.9	Confident	109 Å²	109	62.7 Å²	62.7	41%	0.411	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-40.2	174.1	-70.4	-165.9	-68	-88.5	6.9	111.9	E70 E71 I75 L76 R77	E70-R73 VanDerWaalsContact CG-NH2 3.3Å; E70-R73 PolarHBondContact O-N 2.61Å; E70-R73 IonicContact OE1-CZ 3.39Å; E70-R73 IonicContact OE1-NH2 3.7Å; E70-R73 PolarHBondContact OE1-NH2 2.86Å; E71-R73 PolarHBondContact O-N 2.9Å; R73-I75 VanDerWaalsContact C-N 3.32Å; R73-I75 PolarHBondContact O-N 3.06Å; R73-L76 PolarHBondContact O-N 3.33Å; R73-R77 WeakPolarHBondContact O-CG 3.09Å; R73-R77 PolarHBondContact O-N 2.75Å; R73-R77 VanDerWaalsContact O-N 3.15Å
74	W	91.9	Very high	87.4	Confident	1 Å²	1	61.6 Å²	61.6	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-41.4	174.6	178.5	95.8	0	0	0	111.7	P54 H62 F66 E70 E71 L72 Y78 F86 H88	P54-W74 HydrophobicContact CB-CZ2 4.36Å; P54-W74 HydrophobicContact CG-CH2 4.31Å; P54-W74 HydrophobicContact CG-CZ2 4.23Å; H62-W74 HydrophobicContact CB-CH2 4.12Å; H62-W74 HydrophobicContact CB-CZ2 3.8Å; H62-W74 AromaticContact CD2-CZ2 3.92Å; H62-W74 AromaticContact CG-CH2 3.94Å; H62-W74 AromaticContact CG-CZ2 3.68Å; H62-W74 AromaticContact ND1-CH2 3.88Å; F66-W74 HydrophobicContact CB-CB 3.91Å; F66-W74 HydrophobicContact CB-CG 4.13Å; F66-W74 HydrophobicContact CD1-CB 3.89Å; F66-W74 AromaticContact CD1-CD1 3.57Å; F66-W74 AromaticContact CD1-CD2 3.54Å; F66-W74 HydrophobicContact CD1-CD2 3.54Å; F66-W74 AromaticContact CD1-CE2 3.86Å; F66-W74 HydrophobicContact CD1-CE3 4.09Å; F66-W74 AromaticContact CD1-CG 3.4Å; F66-W74 HydrophobicContact CD1-CG 3.4Å; F66-W74 VanDerWaalsContact CD1-CG 3.4Å; F66-W74 AromaticContact CD1-NE1 3.8Å; F66-W74 AromaticContact CE1-CD2 3.69Å; F66-W74 HydrophobicContact CE1-CD2 3.69Å; F66-W74 AromaticContact CE1-CE2 3.98Å; F66-W74 AromaticContact CE1-CE3 3.81Å; F66-W74 HydrophobicContact CE1-CE3 3.81Å; F66-W74 HydrophobicContact CE1-CG 4.07Å; F66-W74 HydrophobicContact CE1-CZ2 4.43Å; F66-W74 HydrophobicContact CE1-CZ3 4.25Å; F66-W74 HydrophobicContact CG-CB 4.01Å; F66-W74 HydrophobicContact CG-CG 4.02Å; E70-W74 PolarHBondContact O-N 3.23Å; E71-W74 WeakPolarHBondContact O-CB 3.38Å; E71-W74 PolarHBondContact O-N 3.19Å; L72-W74 VanDerWaalsContact C-N 3.33Å; L72-W74 PolarHBondContact O-N 3.09Å; W74-Y78 AromaticContact CD1-CE2 3.98Å; W74-Y78 HydrophobicContact CD2-CD2 4.05Å; W74-Y78 HydrophobicContact CD2-CE2 4.19Å; W74-Y78 AromaticContact CE2-CD2 3.7Å; W74-Y78 AromaticContact CE2-CE2 3.49Å; W74-Y78 VanDerWaalsContact CE2-CE2 3.49Å; W74-Y78 HydrophobicContact CG-CD2 4.48Å; W74-Y78 HydrophobicContact CG-CE2 4.44Å; W74-Y78 HydrophobicContact CH2-CD2 4.38Å; W74-Y78 AromaticContact CZ2-CD2 3.87Å; W74-Y78 HydrophobicContact CZ2-CD2 3.87Å; W74-Y78 AromaticContact CZ2-CE2 3.77Å; W74-Y78 HydrophobicContact CZ2-CE2 3.77Å; W74-Y78 AromaticContact NE1-CE2 3.39Å; W74-Y78 WeakPolarHBondContact O-CD2 3.13Å; W74-Y78 PolarHBondContact O-N 2.62Å; W74-F86 HydrophobicContact CH2-CE2 4.23Å; W74-F86 HydrophobicContact CZ3-CE2 4.08Å; W74-H88 AromaticContact CH2-CD2 3.88Å
75	I	93	Very high	88.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-47.4	177	-68.4	170.2	0	0	0	111.4	E71 L72 R73 R77 Y78 L79 F86 K98 H413 A416	E71-I75 HydrophobicContact CG-CD1 3.91Å; E71-I75 HydrophobicContact CG-CG1 4.41Å; E71-I75 VanDerWaalsContact O-CG1 3.25Å; E71-I75 WeakPolarHBondContact O-CG1 3.48Å; E71-I75 PolarHBondContact O-N 3.44Å; L72-I75 WeakPolarHBondContact O-CB 3.48Å; L72-I75 PolarHBondContact O-N 3.5Å; R73-I75 VanDerWaalsContact C-N 3.32Å; R73-I75 PolarHBondContact O-N 3.06Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.5Å; I75-Y78 PolarHBondContact O-N 3.17Å; I75-Y78 VanDerWaalsContact O-N 3.12Å; I75-L79 PolarHBondContact O-N 3.32Å; I75-F86 HydrophobicContact CG2-CZ 4.15Å; I75-K98 HydrophobicContact CD1-CD 3.98Å; I75-K98 HydrophobicContact CG1-CD 4.07Å; I75-H413 WeakPolarHBondContact CD1-NE2 3.21Å; I75-A416 HydrophobicContact CG2-CB 3.76Å
76	L	93.3	Very high	88.7	Confident	31 Å²	31	53 Å²	53	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-41.2	179.7	-68.2	-173.1	0	0	0	112.1	L72 R73 Y78 L79 E80 Y415 H419	L72-L76 WeakPolarHBondContact O-CG 3.17Å; L72-L76 PolarHBondContact O-N 2.98Å; R73-L76 PolarHBondContact O-N 3.33Å; L76-Y78 PolarHBondContact O-N 2.78Å; L76-L79 HydrophobicContact CD2-CD2 3.99Å; L76-L79 VanDerWaalsContact O-CB 3.32Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.44Å; L76-L79 VanDerWaalsContact O-N 3.12Å; L76-E80 PolarHBondContact O-N 3.18Å; L76-Y415 HydrophobicContact CD1-CE1 3.87Å; L76-Y415 HydrophobicContact CD2-CD1 4.18Å; L76-Y415 HydrophobicContact CD2-CE1 3.96Å; L76-Y415 HydrophobicContact CG-CE1 3.99Å; L76-H419 HydrophobicContact CD2-CB 3.59Å
77	R	92.3	Very high	89.6	Confident	145 Å²	145	51.7 Å²	51.7	55%	0.547	24%	0.238	S	C	.	.	H	α-helix	trans	-58.2	-33.1	175.7	-73.6	-174	-63.2	170.2	-2.3	113.8	R73 I75	R73-R77 WeakPolarHBondContact O-CG 3.09Å; R73-R77 PolarHBondContact O-N 2.75Å; R73-R77 VanDerWaalsContact O-N 3.15Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.5Å
78	Y	91.9	Very high	90.2	Very high	43 Å²	43	44.9 Å²	44.9	17%	0.169	21%	0.208	C	C	.	.	H	α-helix	trans	-90.7	-19	178	-75.9	-67.9	0	0	0	113.5	P54 W74 I75 L76 E80 K81 F82	P54-Y78 HydrophobicContact CB-CD1 3.9Å; P54-Y78 HydrophobicContact CB-CD2 4.31Å; P54-Y78 HydrophobicContact CB-CE1 3.51Å; P54-Y78 HydrophobicContact CB-CE2 3.97Å; P54-Y78 HydrophobicContact CB-CG 4.28Å; P54-Y78 HydrophobicContact CG-CD1 3.63Å; P54-Y78 HydrophobicContact CG-CD2 3.96Å; P54-Y78 HydrophobicContact CG-CE1 3.81Å; P54-Y78 HydrophobicContact CG-CE2 4.14Å; P54-Y78 HydrophobicContact CG-CG 3.7Å; W74-Y78 AromaticContact CD1-CE2 3.98Å; W74-Y78 HydrophobicContact CD2-CD2 4.05Å; W74-Y78 HydrophobicContact CD2-CE2 4.19Å; W74-Y78 AromaticContact CE2-CD2 3.7Å; W74-Y78 AromaticContact CE2-CE2 3.49Å; W74-Y78 VanDerWaalsContact CE2-CE2 3.49Å; W74-Y78 HydrophobicContact CG-CD2 4.48Å; W74-Y78 HydrophobicContact CG-CE2 4.44Å; W74-Y78 HydrophobicContact CH2-CD2 4.38Å; W74-Y78 AromaticContact CZ2-CD2 3.87Å; W74-Y78 HydrophobicContact CZ2-CD2 3.87Å; W74-Y78 AromaticContact CZ2-CE2 3.77Å; W74-Y78 HydrophobicContact CZ2-CE2 3.77Å; W74-Y78 AromaticContact NE1-CE2 3.39Å; W74-Y78 WeakPolarHBondContact O-CD2 3.13Å; W74-Y78 PolarHBondContact O-N 2.62Å; I75-Y78 PolarHBondContact O-N 3.17Å; I75-Y78 VanDerWaalsContact O-N 3.12Å; L76-Y78 PolarHBondContact O-N 2.78Å; Y78-E80 VanDerWaalsContact C-N 3.28Å; Y78-E80 PolarHBondContact O-N 3.42Å; Y78-K81 HydrophobicContact CD1-CD 4.48Å; Y78-K81 PolarHBondContact O-N 2.89Å; Y78-F82 HydrophobicContact CD1-CD2 4.27Å; Y78-F82 AromaticContact CD1-CE2 3.95Å; Y78-F82 HydrophobicContact CD1-CE2 3.95Å; Y78-F82 PolarHBondContact O-N 3.3Å
79	L	92.9	Very high	91.2	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-38.6	173.2	-178.7	66.3	0	0	0	111.6	I75 L76 K81 F82 P83 C100 A416 H419 N420	I75-L79 PolarHBondContact O-N 3.32Å; L76-L79 HydrophobicContact CD2-CD2 3.99Å; L76-L79 VanDerWaalsContact O-CB 3.32Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.44Å; L76-L79 VanDerWaalsContact O-N 3.12Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 2.91Å; L79-F82 CarbonylContact O-C 3.57Å; L79-F82 PolarHBondContact O-N 3.13Å; L79-P83 WeakPolarHBondContact O-CA 3.11Å; L79-P83 VanDerWaalsContact O-N 3.09Å; L79-C100 HydrophobicContact CD1-CB 3.51Å; L79-A416 HydrophobicContact CD1-CB 4.24Å; L79-A416 HydrophobicContact CD2-CB 4.14Å; L79-A416 WeakPolarHBondContact CD2-O 3.43Å; L79-H419 HydrophobicContact CD2-CB 4.44Å; L79-N420 HydrophobicContact CD1-CB 4.26Å; L79-N420 HydrophobicContact CD2-CB 4.24Å
80	E	87.8	Confident	91.7	Very high	152 Å²	152	40 Å²	40	71%	0.71	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.3	175	-68.2	176.8	-176.7	0	0	112.2	L76 Y78	L76-E80 PolarHBondContact O-N 3.18Å; Y78-E80 VanDerWaalsContact C-N 3.28Å; Y78-E80 PolarHBondContact O-N 3.42Å
81	K	91.4	Very high	91.6	Very high	148 Å²	148	38.7 Å²	38.7	64%	0.643	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-36.9	179.6	-63.9	-176	179.4	-177.8	0	112.5	Y78 L79 P83	Y78-K81 HydrophobicContact CD1-CD 4.48Å; Y78-K81 PolarHBondContact O-N 2.89Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 2.91Å; K81-P83 VanDerWaalsContact C-CD 3.49Å; K81-P83 WeakPolarHBondContact O-CD 3.48Å
82	F	93	Very high	91.1	Very high	51 Å²	51	37.7 Å²	37.7	22%	0.224	17%	0.166	C	C	.	.			trans	-129.7	69.1	-172.6	-48.6	-50.4	0	0	0	110.9	P52 P54 Y78 L79 G84 F86	P52-F82 HydrophobicContact CB-CB 4.44Å; P52-F82 HydrophobicContact CB-CD1 3.32Å; P52-F82 HydrophobicContact CB-CD2 4.29Å; P52-F82 HydrophobicContact CB-CE1 3.48Å; P52-F82 VanDerWaalsContact CB-CE1 3.48Å; P52-F82 HydrophobicContact CB-CE2 4.4Å; P52-F82 HydrophobicContact CB-CG 3.76Å; P52-F82 HydrophobicContact CB-CZ 4.03Å; P52-F82 HydrophobicContact CG-CB 3.87Å; P52-F82 HydrophobicContact CG-CD1 3.59Å; P52-F82 HydrophobicContact CG-CE1 4.27Å; P52-F82 HydrophobicContact CG-CG 3.75Å; P54-F82 HydrophobicContact CG-CE2 4.2Å; Y78-F82 HydrophobicContact CD1-CD2 4.27Å; Y78-F82 AromaticContact CD1-CE2 3.95Å; Y78-F82 HydrophobicContact CD1-CE2 3.95Å; Y78-F82 PolarHBondContact O-N 3.3Å; L79-F82 CarbonylContact O-C 3.57Å; L79-F82 PolarHBondContact O-N 3.13Å; F82-G84 PolarHBondContact O-N 3.45Å; F82-G84 VanDerWaalsContact O-N 3.15Å; F82-F86 HydrophobicContact CB-CB 3.8Å; F82-F86 HydrophobicContact CB-CD1 4.2Å; F82-F86 HydrophobicContact CB-CG 4.3Å; F82-F86 HydrophobicContact CD2-CB 4.01Å; F82-F86 HydrophobicContact CD2-CG 4.44Å; F82-F86 HydrophobicContact CG-CB 4.19Å
83	P	89.6	Confident	90.6	Very high	18 Å²	18	37.8 Å²	37.8	12%	0.117	17%	0.168	C	C	.	.	S	Bend	trans	-69.9	-16	-170.9	25.8	-34.5	0	0	0	113.7	L79 K81 N420 K422	L79-P83 WeakPolarHBondContact O-CA 3.11Å; L79-P83 VanDerWaalsContact O-N 3.09Å; K81-P83 VanDerWaalsContact C-CD 3.49Å; K81-P83 WeakPolarHBondContact O-CD 3.48Å; P83-N420 PolarHBondContact O-ND2 2.94Å; P83-K422 HydrophobicContact CB-CD 3.75Å; P83-K422 HydrophobicContact CB-CG 4.02Å; P83-K422 HydrophobicContact CG-CD 3.55Å; P83-K422 HydrophobicContact CG-CG 4.21Å
84	G	93.7	Very high	90.5	Very high	14 Å²	14	35.5 Å²	35.5	14%	0.144	16%	0.162	C	C	.	.	S	Bend	trans	-81.3	-79.8	-178.7	0	0	0	0	0	112.7	F82 C100 D101	F82-G84 PolarHBondContact O-N 3.45Å; F82-G84 VanDerWaalsContact O-N 3.15Å; G84-C100 CarbonylContact O-C 3.59Å; G84-C100 PolarHBondContact O-N 2.88Å; G84-D101 WeakPolarHBondContact O-CB 3.4Å; G84-D101 PolarHBondContact O-N 2.97Å
85	A	96.1	Very high	90.5	Very high	2 Å²	2	36 Å²	36	2%	0.017	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	150.5	174.5	0	0	0	0	0	109.1	F51 P52 I97 K98 V99 Y104	F51-A85 HydrophobicContact CD1-CB 4.28Å; F51-A85 HydrophobicContact CE1-CB 4.46Å; P52-A85 WeakPolarHBondContact CD-O 3.47Å; P52-A85 VanDerWaalsContact CG-O 3.28Å; P52-A85 WeakPolarHBondContact CG-O 3.18Å; A85-I97 HydrophobicContact CB-CD1 3.9Å; A85-I97 HydrophobicContact CB-CG1 3.99Å; A85-K98 CarbonylContact C-O 3.56Å; A85-K98 WeakPolarHBondContact CA-O 3.17Å; A85-K98 WeakPolarHBondContact CB-O 3.38Å; A85-V99 HydrophobicContact CB-CG2 4.24Å; A85-Y104 HydrophobicContact CB-CD1 4.13Å; A85-Y104 HydrophobicContact CB-CE1 4.14Å
86	F	96	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.8	178.7	65.5	-88.9	0	0	0	112.8	P52 P54 W74 I75 F82 K98	P52-F86 HydrophobicContact CG-CB 4.25Å; P52-F86 CarbonylContact O-C 3.56Å; P52-F86 VanDerWaalsContact O-CA 3.28Å; P52-F86 WeakPolarHBondContact O-CA 3.19Å; P52-F86 WeakPolarHBondContact O-CB 3.49Å; P54-F86 HydrophobicContact CG-CD2 4.22Å; W74-F86 HydrophobicContact CH2-CE2 4.23Å; W74-F86 HydrophobicContact CZ3-CE2 4.08Å; I75-F86 HydrophobicContact CG2-CZ 4.15Å; F82-F86 HydrophobicContact CB-CB 3.8Å; F82-F86 HydrophobicContact CB-CD1 4.2Å; F82-F86 HydrophobicContact CB-CG 4.3Å; F82-F86 HydrophobicContact CD2-CB 4.01Å; F82-F86 HydrophobicContact CD2-CG 4.44Å; F82-F86 HydrophobicContact CG-CB 4.19Å; F86-K98 HydrophobicContact CD1-CB 4.46Å; F86-K98 HydrophobicContact CE1-CB 4.13Å; F86-K98 HydrophobicContact CE1-CD 4.48Å; F86-K98 HydrophobicContact CE2-CB 4.35Å; F86-K98 HydrophobicContact CE2-CD 3.86Å; F86-K98 HydrophobicContact CZ-CB 4.09Å; F86-K98 HydrophobicContact CZ-CD 3.68Å; F86-K98 HydrophobicContact CZ-CG 4.46Å; F86-K98 PolarHBondContact N-O 3.1Å; F86-K98 PolarHBondContact O-N 2.89Å
87	L	95.5	Very high	90.7	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.1	-179.6	-56.2	-174.5	0	0	0	111.4	L48 F51 P52 P54 H62 W89 V95 I97	L48-L87 HydrophobicContact CB-CD1 3.77Å; L48-L87 HydrophobicContact CB-CD2 4.08Å; L48-L87 HydrophobicContact CD1-CD1 4.34Å; L48-L87 HydrophobicContact CD1-CD2 3.95Å; L48-L87 HydrophobicContact CG-CD2 4.48Å; F51-L87 HydrophobicContact CB-CD1 4.5Å; F51-L87 HydrophobicContact CB-CD2 3.79Å; F51-L87 HydrophobicContact CB-CG 3.96Å; P52-L87 PolarHBondContact O-N 3.45Å; P54-L87 VanDerWaalsContact CD-O 3.3Å; P54-L87 WeakPolarHBondContact CD-O 3.27Å; H62-L87 PolarHBondContact CE1-O 2.62Å; L87-W89 HydrophobicContact CD1-CZ2 4.42Å; L87-V95 HydrophobicContact CB-CG2 4.01Å; L87-V95 HydrophobicContact CD2-CG2 4.16Å; L87-V95 HydrophobicContact CG-CG2 4.48Å; L87-I97 HydrophobicContact CD2-CB 4.33Å
88	H	92.8	Very high	90.9	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.019	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108	170.4	-179.2	-162.6	0	0	0	109	H62 F66 E71 W74 V95 F96 K98	H62-H88 AromaticContact CG-CD2 3.99Å; H62-H88 AromaticContact ND1-CD2 3.46Å; H62-H88 PolarHBondContact ND1-CD2 2.86Å; F66-H88 AromaticContact CE1-NE2 3.9Å; F66-H88 AromaticContact CZ-CE1 3.98Å; F66-H88 AromaticContact CZ-NE2 3.75Å; E71-H88 IonicContact OE1-CE1 3.1Å; W74-H88 AromaticContact CH2-CD2 3.88Å; H88-V95 WeakPolarHBondContact O-CA 3.47Å; H88-F96 HydrophobicContact CB-CB 4.44Å; H88-F96 PolarHBondContact N-O 3.41Å; H88-F96 PolarHBondContact O-N 2.84Å; H88-K98 HydrophobicContact CB-CD 4.3Å; H88-K98 HydrophobicContact CB-CG 4.25Å; H88-K98 WeakPolarHBondContact ND1-CE 3.37Å
89	W	92.1	Very high	91.1	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.4	-179.6	-69.6	89	0	0	0	110.9	R41 L44 L45 S53 H62 L87 G92 V95	R41-W89 HydrophobicContact CG-CH2 4.41Å; R41-W89 HydrophobicContact CG-CZ3 4.18Å; L44-W89 HydrophobicContact CB-CH2 3.6Å; L44-W89 HydrophobicContact CB-CZ3 4.11Å; L44-W89 HydrophobicContact CD1-CH2 4.28Å; L44-W89 HydrophobicContact CD1-CZ3 3.93Å; L45-W89 HydrophobicContact CD2-CH2 4.03Å; L45-W89 HydrophobicContact CD2-CZ2 3.62Å; L45-W89 HydrophobicContact CG-CH2 4.05Å; L45-W89 HydrophobicContact CG-CZ2 4.16Å; S53-W89 PolarHBondContact OG-NE1 2.85Å; H62-W89 AromaticContact CE1-CD1 3.68Å; H62-W89 PolarHBondContact CE1-N 3.01Å; H62-W89 PolarHBondContact N-O 2.92Å; H62-W89 PolarHBondContact ND1-N 3.44Å; L87-W89 HydrophobicContact CD1-CZ2 4.42Å; W89-G92 WeakPolarHBondContact CZ3-O 3.29Å; W89-V95 HydrophobicContact CD2-CB 4.06Å; W89-V95 HydrophobicContact CD2-CG2 3.97Å; W89-V95 HydrophobicContact CE3-CB 3.92Å; W89-V95 HydrophobicContact CE3-CG2 4.35Å; W89-V95 HydrophobicContact CG-CG2 4.34Å; W89-V95 HydrophobicContact CH2-CB 4.37Å; W89-V95 HydrophobicContact CZ2-CB 4.46Å; W89-V95 HydrophobicContact CZ2-CG2 4.23Å; W89-V95 HydrophobicContact CZ3-CB 4.1Å
90	I	86.4	Confident	91.3	Very high	18 Å²	18	26.6 Å²	26.6	9%	0.092	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	116.5	177.5	-66.3	-168.8	0	0	0	106.9	G92 H94 F96	I90-G92 PolarHBondContact O-N 3.47Å; I90-G92 VanDerWaalsContact O-N 3.11Å; I90-H94 PolarHBondContact N-O 3.25Å; I90-H94 VanDerWaalsContact O-CB 3.31Å; I90-H94 WeakPolarHBondContact O-CB 3.21Å; I90-H94 PolarHBondContact O-N 3.28Å; I90-H94 VanDerWaalsContact O-O 3.08Å; I90-F96 HydrophobicContact CD1-CD2 3.72Å; I90-F96 HydrophobicContact CD1-CE2 3.49Å; I90-F96 VanDerWaalsContact CD1-CE2 3.49Å; I90-F96 HydrophobicContact CG1-CD2 4.36Å; I90-F96 HydrophobicContact CG1-CE2 4.39Å
91	W	81.6	Confident	91.7	Very high	38 Å²	38	21.2 Å²	21.2	14%	0.144	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	34.5	179.6	-61.4	92.6	0	0	0	114.8	H37 L59 F60 S93 V234 F235	H37-W91 PolarHBondContact NE2-O 3.41Å; L59-W91 CarbonylContact O-C 3.59Å; L59-W91 WeakPolarHBondContact O-CA 3.44Å; F60-W91 AromaticContact CD1-CE3 3.8Å; F60-W91 HydrophobicContact CD1-CE3 3.8Å; F60-W91 AromaticContact CD1-CH2 3.5Å; F60-W91 HydrophobicContact CD1-CH2 3.5Å; F60-W91 VanDerWaalsContact CD1-CH2 3.5Å; F60-W91 HydrophobicContact CD1-CZ2 4.4Å; F60-W91 AromaticContact CD1-CZ3 3.18Å; F60-W91 HydrophobicContact CD1-CZ3 3.18Å; F60-W91 HydrophobicContact CE1-CE3 4.2Å; F60-W91 AromaticContact CE1-CH2 3.58Å; F60-W91 HydrophobicContact CE1-CH2 3.58Å; F60-W91 AromaticContact CE1-CZ3 3.24Å; F60-W91 HydrophobicContact CE1-CZ3 3.24Å; F60-W91 HydrophobicContact CG-CZ3 4.39Å; F60-W91 HydrophobicContact CZ-CZ3 4.46Å; F60-W91 PolarHBondContact O-N 3.04Å; W91-S93 PolarHBondContact O-N 3.49Å; W91-S93 PolarHBondContact O-OG 3.42Å; W91-V234 HydrophobicContact CB-CB 4.23Å; W91-V234 HydrophobicContact CB-CG1 3.74Å; W91-V234 HydrophobicContact CB-CG2 4.5Å; W91-V234 HydrophobicContact CD2-CB 4.32Å; W91-V234 HydrophobicContact CD2-CG1 3.41Å; W91-V234 VanDerWaalsContact CD2-CG1 3.41Å; W91-V234 HydrophobicContact CE3-CG1 4.17Å; W91-V234 HydrophobicContact CG-CB 3.69Å; W91-V234 HydrophobicContact CG-CG1 3.15Å; W91-V234 HydrophobicContact CG-CG2 4.46Å; W91-F235 HydrophobicContact CE3-CE2 4.26Å; W91-F235 AromaticContact CE3-CZ 3.94Å; W91-F235 HydrophobicContact CE3-CZ 3.94Å; W91-F235 AromaticContact CH2-CD2 3.92Å; W91-F235 HydrophobicContact CH2-CD2 3.92Å; W91-F235 AromaticContact CH2-CE2 3.01Å; W91-F235 HydrophobicContact CH2-CE2 3.01Å; W91-F235 AromaticContact CH2-CZ 3.44Å; W91-F235 HydrophobicContact CH2-CZ 3.44Å; W91-F235 VanDerWaalsContact CH2-CZ 3.44Å; W91-F235 AromaticContact CZ2-CD2 3.96Å; W91-F235 HydrophobicContact CZ2-CD2 3.96Å; W91-F235 AromaticContact CZ2-CE2 3.52Å; W91-F235 HydrophobicContact CZ2-CE2 3.52Å; W91-F235 HydrophobicContact CZ2-CZ 4.2Å; W91-F235 HydrophobicContact CZ3-CD2 4.47Å; W91-F235 HydrophobicContact CZ3-CE1 4.24Å; W91-F235 AromaticContact CZ3-CE2 3.41Å; W91-F235 HydrophobicContact CZ3-CE2 3.41Å; W91-F235 VanDerWaalsContact CZ3-CE2 3.41Å; W91-F235 AromaticContact CZ3-CZ 3.24Å; W91-F235 HydrophobicContact CZ3-CZ 3.24Å
92	G	78.6	Confident	92	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-23.6	162.6	0	0	0	0	0	117	R41 W58 L59 W89 I90	R41-G92 VanDerWaalsContact CD-O 3.28Å; R41-G92 WeakPolarHBondContact CD-O 3.33Å; R41-G92 VanDerWaalsContact CG-O 3.26Å; R41-G92 WeakPolarHBondContact CG-O 3.46Å; R41-G92 VanDerWaalsContact NH1-CA 3.33Å; R41-G92 PolarHBondContact NH1-O 2.88Å; W58-G92 VanDerWaalsContact O-CA 3.31Å; W58-G92 WeakPolarHBondContact O-CA 3.44Å; L59-G92 WeakPolarHBondContact O-CA 3.36Å; L59-G92 PolarHBondContact O-N 3.4Å; W89-G92 WeakPolarHBondContact CZ3-O 3.29Å; I90-G92 PolarHBondContact O-N 3.47Å; I90-G92 VanDerWaalsContact O-N 3.11Å
93	S	82.3	Confident	92.2	Very high	10 Å²	10	15.6 Å²	15.6	7%	0.07	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-1.7	179.3	58.7	0	0	0	0	113.3	H37 R40 L44 W91	H37-S93 WeakPolarHBondContact CD2-CB 3.44Å; H37-S93 PolarHBondContact CD2-OG 2.8Å; H37-S93 WeakPolarHBondContact NE2-CB 3.23Å; H37-S93 PolarHBondContact NE2-OG 3.37Å; R40-S93 PolarHBondContact NE-O 3.01Å; R40-S93 VanDerWaalsContact NE-O 3.15Å; R40-S93 PolarHBondContact NH2-O 3.36Å; L44-S93 VanDerWaalsContact CD1-O 3.25Å; L44-S93 WeakPolarHBondContact CD1-O 3.29Å; W91-S93 PolarHBondContact O-N 3.49Å; W91-S93 PolarHBondContact O-OG 3.42Å
94	H	87.8	Confident	92.6	Very high	62 Å²	62	14.9 Å²	14.9	29%	0.287	8%	0.078	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.5	168.8	-60	76.4	0	0	0	108.6	R40 I90	R40-H94 PolarHBondContact NH1-NE2 2.84Å; R40-H94 PolarHBondContact NH2-CD2 3.46Å; R40-H94 VanDerWaalsContact NH2-CD2 3.33Å; R40-H94 PolarHBondContact NH2-NE2 3.43Å; I90-H94 PolarHBondContact N-O 3.25Å; I90-H94 VanDerWaalsContact O-CB 3.31Å; I90-H94 WeakPolarHBondContact O-CB 3.21Å; I90-H94 PolarHBondContact O-N 3.28Å; I90-H94 VanDerWaalsContact O-O 3.08Å
95	V	92.7	Very high	92.8	Very high	12 Å²	12	14.2 Å²	14.2	7%	0.073	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.5	179.9	64.7	0	0	0	0	108.9	L44 L48 L87 H88 W89	L44-V95 HydrophobicContact CB-CG1 4.42Å; L44-V95 HydrophobicContact CD1-CG1 3.84Å; L44-V95 HydrophobicContact CD2-CG1 3.62Å; L44-V95 HydrophobicContact CG-CG1 4.17Å; L48-V95 HydrophobicContact CD1-CB 4.37Å; L48-V95 HydrophobicContact CD1-CG1 3.42Å; L48-V95 VanDerWaalsContact CD1-CG1 3.42Å; L48-V95 HydrophobicContact CD1-CG2 4.05Å; L87-V95 HydrophobicContact CB-CG2 4.01Å; L87-V95 HydrophobicContact CD2-CG2 4.16Å; L87-V95 HydrophobicContact CG-CG2 4.48Å; H88-V95 WeakPolarHBondContact O-CA 3.47Å; W89-V95 HydrophobicContact CD2-CB 4.06Å; W89-V95 HydrophobicContact CD2-CG2 3.97Å; W89-V95 HydrophobicContact CE3-CB 3.92Å; W89-V95 HydrophobicContact CE3-CG2 4.35Å; W89-V95 HydrophobicContact CG-CG2 4.34Å; W89-V95 HydrophobicContact CH2-CB 4.37Å; W89-V95 HydrophobicContact CZ2-CB 4.46Å; W89-V95 HydrophobicContact CZ2-CG2 4.23Å; W89-V95 HydrophobicContact CZ3-CB 4.1Å
96	F	94.1	Very high	92.8	Very high	21 Å²	21	19.2 Å²	19.2	9%	0.092	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.9	167.9	-62.6	-50.4	0	0	0	108.6	H88 I90 L118 T409 L411	H88-F96 HydrophobicContact CB-CB 4.44Å; H88-F96 PolarHBondContact N-O 3.41Å; H88-F96 PolarHBondContact O-N 2.84Å; I90-F96 HydrophobicContact CD1-CD2 3.72Å; I90-F96 HydrophobicContact CD1-CE2 3.49Å; I90-F96 VanDerWaalsContact CD1-CE2 3.49Å; I90-F96 HydrophobicContact CG1-CD2 4.36Å; I90-F96 HydrophobicContact CG1-CE2 4.39Å; F96-L118 HydrophobicContact CE1-CD1 4.39Å; F96-L118 HydrophobicContact CE2-CD1 4.04Å; F96-L118 HydrophobicContact CZ-CD1 3.54Å; F96-L118 HydrophobicContact CZ-CG 4.25Å; F96-T409 WeakPolarHBondContact CA-O 3.31Å; F96-T409 HydrophobicContact CD1-CG2 3.51Å; F96-T409 HydrophobicContact CE1-CG2 3.56Å; F96-L411 HydrophobicContact CB-CD1 3.67Å; F96-L411 HydrophobicContact CB-CG 3.9Å; F96-L411 HydrophobicContact CD1-CD1 4.45Å; F96-L411 HydrophobicContact CD1-CG 4.36Å; F96-L411 HydrophobicContact CD2-CD1 3.86Å; F96-L411 HydrophobicContact CG-CD1 3.74Å; F96-L411 HydrophobicContact CG-CG 4.06Å
97	I	96.2	Very high	92.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.7	163.6	-179.2	165.5	0	0	0	108.5	F51 A85 L87 V99 L404 I408 T409 V410 L411	F51-I97 HydrophobicContact CB-CD1 4.4Å; F51-I97 HydrophobicContact CD1-CD1 3.42Å; F51-I97 VanDerWaalsContact CD1-CD1 3.42Å; F51-I97 HydrophobicContact CD2-CD1 3.95Å; F51-I97 HydrophobicContact CE1-CD1 3.6Å; F51-I97 HydrophobicContact CE2-CD1 4.08Å; F51-I97 HydrophobicContact CG-CD1 3.61Å; F51-I97 HydrophobicContact CZ-CD1 3.91Å; A85-I97 HydrophobicContact CB-CD1 3.9Å; A85-I97 HydrophobicContact CB-CG1 3.99Å; L87-I97 HydrophobicContact CD2-CB 4.33Å; I97-V99 HydrophobicContact CG1-CG2 4.38Å; I97-L404 HydrophobicContact CD1-CD1 4.06Å; I97-L404 HydrophobicContact CD1-CD2 3.96Å; I97-L404 HydrophobicContact CD1-CG 4.46Å; I97-L404 HydrophobicContact CG2-CD1 3.83Å; I97-L404 HydrophobicContact CG2-CD2 4.45Å; I97-I408 HydrophobicContact CG2-CG2 4.1Å; I97-T409 PolarHBondContact N-O 3.14Å; I97-T409 VanDerWaalsContact N-O 3.16Å; I97-V410 HydrophobicContact CG2-CB 3.97Å; I97-V410 HydrophobicContact CG2-CG1 4.08Å; I97-V410 HydrophobicContact CG2-CG2 3.6Å; I97-L411 PolarHBondContact O-N 3.42Å
98	K	96.1	Very high	93	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	114.3	172.5	-69.7	-173.2	-173.2	-84.5	0	107.8	E71 I75 A85 F86 H88 L411	E71-K98 IonicContact OE1-NZ 3.37Å; E71-K98 PolarHBondContact OE1-NZ 2.68Å; I75-K98 HydrophobicContact CD1-CD 3.98Å; I75-K98 HydrophobicContact CG1-CD 4.07Å; A85-K98 CarbonylContact C-O 3.56Å; A85-K98 WeakPolarHBondContact CA-O 3.17Å; A85-K98 WeakPolarHBondContact CB-O 3.38Å; F86-K98 HydrophobicContact CD1-CB 4.46Å; F86-K98 HydrophobicContact CE1-CB 4.13Å; F86-K98 HydrophobicContact CE1-CD 4.48Å; F86-K98 HydrophobicContact CE2-CB 4.35Å; F86-K98 HydrophobicContact CE2-CD 3.86Å; F86-K98 HydrophobicContact CZ-CB 4.09Å; F86-K98 HydrophobicContact CZ-CD 3.68Å; F86-K98 HydrophobicContact CZ-CG 4.46Å; F86-K98 PolarHBondContact N-O 3.1Å; F86-K98 PolarHBondContact O-N 2.89Å; H88-K98 HydrophobicContact CB-CD 4.3Å; H88-K98 HydrophobicContact CB-CG 4.25Å; H88-K98 WeakPolarHBondContact ND1-CE 3.37Å; K98-L411 WeakPolarHBondContact CA-O 3.47Å; K98-L411 HydrophobicContact CG-CB 4.41Å; K98-L411 HydrophobicContact CG-CD1 4.42Å
99	V	97.3	Very high	93.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.5	176.6	170.2	0	0	0	0	108.4	A85 I97 Y104 M105 V410 L411 L412 H413	A85-V99 HydrophobicContact CB-CG2 4.24Å; I97-V99 HydrophobicContact CG1-CG2 4.38Å; V99-Y104 VanDerWaalsContact CG1-CB 3.42Å; V99-Y104 HydrophobicContact CG1-CD1 4.44Å; V99-Y104 HydrophobicContact CG1-CG 4.39Å; V99-Y104 HydrophobicContact CG2-CD1 4.29Å; V99-M105 HydrophobicContact CG1-CE 4.07Å; V99-M105 HydrophobicContact CG1-CG 4.14Å; V99-M105 HydrophobicContact CG1-SD 4.07Å; V99-M105 WeakPolarHBondContact O-CE 3.3Å; V99-V410 HydrophobicContact CB-CG1 4.29Å; V99-V410 HydrophobicContact CG2-CG1 3.5Å; V99-V410 VanDerWaalsContact CG2-CG1 3.5Å; V99-L411 PolarHBondContact N-O 3.35Å; V99-L412 HydrophobicContact CB-CD2 4.14Å; V99-L412 HydrophobicContact CG1-CD2 4.22Å; V99-H413 PolarHBondContact O-N 2.91Å
100	C	96.3	Very high	93.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.			trans	-130.7	10.7	-177.9	-47.9	0	0	0	0	112.1	L79 G84 A416 L417 N420	L79-C100 HydrophobicContact CD1-CB 3.51Å; G84-C100 CarbonylContact O-C 3.59Å; G84-C100 PolarHBondContact O-N 2.88Å; C100-A416 HydrophobicContact CB-CB 4.15Å; C100-A416 WeakPolarHBondContact SG-CB 3.49Å; C100-L417 VanDerWaalsContact O-CD1 3.28Å; C100-L417 WeakPolarHBondContact O-CD1 3.46Å; C100-N420 PolarHBondContact O-ND2 3.23Å
101	D	96.8	Very high	93.7	Very high	39 Å²	39	26.2 Å²	26.2	21%	0.209	14%	0.143	C	C	.	.			trans	-110.4	131.3	-173.7	179.6	-87.3	0	0	0	111.8	G84 D103 Y104 M105	G84-D101 WeakPolarHBondContact O-CB 3.4Å; G84-D101 PolarHBondContact O-N 2.97Å; D101-D103 VanDerWaalsContact C-N 3.34Å; D101-D103 PolarHBondContact O-N 3.41Å; D101-D103 WeakPolarHBondContact OD1-CA 3.42Å; D101-D103 VanDerWaalsContact OD1-CB 3.31Å; D101-D103 WeakPolarHBondContact OD1-CB 3.12Å; D101-D103 PolarHBondContact OD1-N 3.47Å; D101-Y104 HydrophobicContact CB-CD2 4.16Å; D101-Y104 HydrophobicContact CB-CG 4.2Å; D101-Y104 PolarHBondContact O-N 3.41Å; D101-Y104 WeakPolarHBondContact OD1-CD2 3.37Å; D101-Y104 PolarHBondContact OD1-N 2.7Å; D101-M105 WeakPolarHBondContact O-CG 3.3Å; D101-M105 PolarHBondContact O-N 3.08Å
102	P	97.5	Very high	94.2	Very high	10 Å²	10	28.1 Å²	28.1	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-34	-177	-21.3	30.1	0	0	0	115.2	M105 K106 L417 V423 H442 H444	P102-M105 WeakPolarHBondContact O-CB 3.44Å; P102-M105 PolarHBondContact O-N 3.45Å; P102-K106 PolarHBondContact O-N 3.08Å; P102-L417 HydrophobicContact CB-CD1 4.47Å; P102-L417 HydrophobicContact CG-CD1 3.83Å; P102-V423 HydrophobicContact CG-CB 4.48Å; P102-V423 HydrophobicContact CG-CG1 3.97Å; P102-V423 HydrophobicContact CG-CG2 3.59Å; P102-H442 HydrophobicContact CB-CB 4.17Å; P102-H442 WeakPolarHBondContact CB-ND1 3.49Å; P102-H442 PolarHBondContact O-CE1 3.07Å; P102-H444 HydrophobicContact CB-CB 4.44Å; P102-H444 WeakPolarHBondContact O-CB 3.37Å
103	D	97.5	Very high	95	Very high	71 Å²	71	28.1 Å²	28.1	38%	0.38	17%	0.167	S	C	.	.	H	α-helix	trans	-71.6	-42.1	178.5	-76.1	-44.2	0	0	0	110.8	D101 M105 K106 V107 P399 H442	D101-D103 VanDerWaalsContact C-N 3.34Å; D101-D103 PolarHBondContact O-N 3.41Å; D101-D103 WeakPolarHBondContact OD1-CA 3.42Å; D101-D103 VanDerWaalsContact OD1-CB 3.31Å; D101-D103 WeakPolarHBondContact OD1-CB 3.12Å; D101-D103 PolarHBondContact OD1-N 3.47Å; D103-M105 VanDerWaalsContact C-N 3.33Å; D103-M105 PolarHBondContact O-N 3.04Å; D103-K106 WeakPolarHBondContact O-CB 3.4Å; D103-K106 PolarHBondContact O-N 3.46Å; D103-V107 WeakPolarHBondContact O-CG2 3.49Å; D103-V107 PolarHBondContact O-N 2.83Å; D103-V107 VanDerWaalsContact O-N 3.1Å; D103-P399 HydrophobicContact CB-CG 4.18Å; D103-H442 IonicContact OD1-CE1 2.75Å; D103-H442 IonicContact OD1-NE2 2.88Å; D103-H442 PolarHBondContact OD1-NE2 3.35Å
104	Y	97.6	Very high	95.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-42.4	173.2	-80.7	-129	0	0	0	111.5	F51 A85 V99 D101 K106 V107 I108 F398 D400 R402	F51-Y104 AromaticContact CE1-CE1 3.72Å; F51-Y104 HydrophobicContact CE1-CE1 3.72Å; F51-Y104 HydrophobicContact CZ-CE1 4.29Å; A85-Y104 HydrophobicContact CB-CD1 4.13Å; A85-Y104 HydrophobicContact CB-CE1 4.14Å; V99-Y104 VanDerWaalsContact CG1-CB 3.42Å; V99-Y104 HydrophobicContact CG1-CD1 4.44Å; V99-Y104 HydrophobicContact CG1-CG 4.39Å; V99-Y104 HydrophobicContact CG2-CD1 4.29Å; D101-Y104 HydrophobicContact CB-CD2 4.16Å; D101-Y104 HydrophobicContact CB-CG 4.2Å; D101-Y104 PolarHBondContact O-N 3.41Å; D101-Y104 WeakPolarHBondContact OD1-CD2 3.37Å; D101-Y104 PolarHBondContact OD1-N 2.7Å; Y104-K106 VanDerWaalsContact C-N 3.32Å; Y104-K106 PolarHBondContact O-N 2.66Å; Y104-V107 PolarHBondContact O-N 3.36Å; Y104-I108 WeakPolarHBondContact O-CG1 3.32Å; Y104-I108 PolarHBondContact O-N 3.33Å; Y104-F398 HydrophobicContact CD1-CB 4.4Å; Y104-F398 AromaticContact CD1-CD1 3.45Å; Y104-F398 HydrophobicContact CD1-CD1 3.45Å; Y104-F398 VanDerWaalsContact CD1-CD1 3.45Å; Y104-F398 AromaticContact CD1-CD2 3.69Å; Y104-F398 HydrophobicContact CD1-CD2 3.69Å; Y104-F398 AromaticContact CD1-CE1 3.4Å; Y104-F398 HydrophobicContact CD1-CE1 3.4Å; Y104-F398 AromaticContact CD1-CE2 3.64Å; Y104-F398 HydrophobicContact CD1-CE2 3.64Å; Y104-F398 AromaticContact CD1-CG 3.58Å; Y104-F398 HydrophobicContact CD1-CG 3.58Å; Y104-F398 AromaticContact CD1-CZ 3.49Å; Y104-F398 HydrophobicContact CD1-CZ 3.49Å; Y104-F398 VanDerWaalsContact CD1-CZ 3.49Å; Y104-F398 HydrophobicContact CD2-CB 3.96Å; Y104-F398 AromaticContact CD2-CD1 3.87Å; Y104-F398 HydrophobicContact CD2-CD1 3.87Å; Y104-F398 AromaticContact CD2-CG 3.96Å; Y104-F398 HydrophobicContact CD2-CG 3.96Å; Y104-F398 HydrophobicContact CE1-CB 3.92Å; Y104-F398 AromaticContact CE1-CD1 3.71Å; Y104-F398 HydrophobicContact CE1-CD1 3.71Å; Y104-F398 AromaticContact CE1-CD2 3.1Å; Y104-F398 HydrophobicContact CE1-CD2 3.1Å; Y104-F398 AromaticContact CE1-CE1 3.91Å; Y104-F398 HydrophobicContact CE1-CE1 3.91Å; Y104-F398 AromaticContact CE1-CE2 3.33Å; Y104-F398 HydrophobicContact CE1-CE2 3.33Å; Y104-F398 AromaticContact CE1-CG 3.29Å; Y104-F398 HydrophobicContact CE1-CG 3.29Å; Y104-F398 AromaticContact CE1-CZ 3.73Å; Y104-F398 HydrophobicContact CE1-CZ 3.73Å; Y104-F398 HydrophobicContact CE2-CB 3.4Å; Y104-F398 VanDerWaalsContact CE2-CB 3.4Å; Y104-F398 HydrophobicContact CE2-CD1 4.1Å; Y104-F398 HydrophobicContact CE2-CD2 4.25Å; Y104-F398 AromaticContact CE2-CG 3.69Å; Y104-F398 HydrophobicContact CE2-CG 3.69Å; Y104-F398 HydrophobicContact CG-CB 4.39Å; Y104-F398 AromaticContact CG-CD1 3.5Å; Y104-F398 HydrophobicContact CG-CD1 3.5Å; Y104-F398 HydrophobicContact CG-CD2 4.44Å; Y104-F398 AromaticContact CG-CE1 3.74Å; Y104-F398 HydrophobicContact CG-CE1 3.74Å; Y104-F398 AromaticContact CG-CG 3.88Å; Y104-F398 HydrophobicContact CG-CG 3.88Å; Y104-F398 HydrophobicContact CG-CZ 4.3Å; Y104-F398 AromaticContact CZ-CD1 4Å; Y104-F398 AromaticContact CZ-CD2 3.4Å; Y104-F398 VanDerWaalsContact CZ-CD2 3.4Å; Y104-F398 AromaticContact CZ-CG 3.31Å; Y104-F398 WeakPolarHBondContact OH-CB 3.33Å; Y104-D400 PolarHBondContact OH-OD1 3.24Å; Y104-D400 PolarHBondContact OH-OD2 3.46Å; Y104-R402 VanDerWaalsContact OH-CZ 3.29Å; Y104-R402 PolarHBondContact OH-NE 3.05Å; Y104-R402 PolarHBondContact OH-NH2 2.84Å
105	M	97.5	Very high	95.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.5	-47.4	175.4	-70.3	-72.6	-177	0	0	110.8	V99 D101 P102 D103 V107 I108 L109 L412 F414 L417 H444 L447	V99-M105 HydrophobicContact CG1-CE 4.07Å; V99-M105 HydrophobicContact CG1-CG 4.14Å; V99-M105 HydrophobicContact CG1-SD 4.07Å; V99-M105 WeakPolarHBondContact O-CE 3.3Å; D101-M105 WeakPolarHBondContact O-CG 3.3Å; D101-M105 PolarHBondContact O-N 3.08Å; P102-M105 WeakPolarHBondContact O-CB 3.44Å; P102-M105 PolarHBondContact O-N 3.45Å; D103-M105 VanDerWaalsContact C-N 3.33Å; D103-M105 PolarHBondContact O-N 3.04Å; M105-V107 PolarHBondContact O-N 3.49Å; M105-I108 PolarHBondContact O-N 2.87Å; M105-L109 HydrophobicContact CB-CD1 4.41Å; M105-L109 VanDerWaalsContact O-CB 3.23Å; M105-L109 WeakPolarHBondContact O-CB 3.46Å; M105-L109 VanDerWaalsContact O-CG 3.27Å; M105-L109 WeakPolarHBondContact O-CG 3.36Å; M105-L109 PolarHBondContact O-N 3.23Å; M105-L412 HydrophobicContact CE-CB 4.22Å; M105-L412 HydrophobicContact SD-CB 3.71Å; M105-L412 HydrophobicContact SD-CD1 4.48Å; M105-L412 HydrophobicContact SD-CD2 3.67Å; M105-L412 HydrophobicContact SD-CG 4.14Å; M105-F414 HydrophobicContact CE-CD1 4.33Å; M105-F414 HydrophobicContact SD-CD1 4.42Å; M105-F414 HydrophobicContact SD-CE1 4.2Å; M105-L417 HydrophobicContact CE-CB 3.89Å; M105-L417 HydrophobicContact CE-CD1 4.44Å; M105-L417 HydrophobicContact CE-CD2 3.93Å; M105-L417 HydrophobicContact CE-CG 4.31Å; M105-L417 HydrophobicContact CG-CD1 4.3Å; M105-L417 HydrophobicContact CG-CD2 4.11Å; M105-L417 HydrophobicContact SD-CD2 4.46Å; M105-H444 HydrophobicContact CB-CB 4.15Å; M105-L447 HydrophobicContact CB-CD1 4Å; M105-L447 HydrophobicContact CG-CD1 4.16Å; M105-L447 HydrophobicContact SD-CD1 4.29Å
106	K	97.2	Very high	95.8	Very high	107 Å²	107	28.5 Å²	28.5	47%	0.465	17%	0.17	S	C	.	.	H	α-helix	trans	-57.9	-46.9	178.6	-179	177.7	178.4	-175.5	0	112	P102 D103 Y104 G110 H444	P102-K106 PolarHBondContact O-N 3.08Å; D103-K106 WeakPolarHBondContact O-CB 3.4Å; D103-K106 PolarHBondContact O-N 3.46Å; Y104-K106 VanDerWaalsContact C-N 3.32Å; Y104-K106 PolarHBondContact O-N 2.66Å; K106-G110 PolarHBondContact O-N 3.31Å; K106-H444 HydrophobicContact CB-CB 4.37Å
107	V	97.4	Very high	95.7	Very high	43 Å²	43	30.6 Å²	30.6	26%	0.261	19%	0.188	S	C	.	.	H	α-helix	trans	-62.3	-46.6	179.2	173.9	0	0	0	0	111.5	D103 Y104 M105 R111 V396 F398 P399	D103-V107 WeakPolarHBondContact O-CG2 3.49Å; D103-V107 PolarHBondContact O-N 2.83Å; D103-V107 VanDerWaalsContact O-N 3.1Å; Y104-V107 PolarHBondContact O-N 3.36Å; M105-V107 PolarHBondContact O-N 3.49Å; V107-R111 WeakPolarHBondContact O-CD 3.32Å; V107-R111 WeakPolarHBondContact O-CG 3.15Å; V107-V396 HydrophobicContact CG1-CG2 3.38Å; V107-F398 HydrophobicContact CB-CD1 4.19Å; V107-F398 HydrophobicContact CB-CE1 4.42Å; V107-F398 HydrophobicContact CG1-CD1 4.25Å; V107-F398 HydrophobicContact CG1-CE1 4.39Å; V107-P399 HydrophobicContact CG2-CG 4.41Å
108	I	97.5	Very high	95.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-71.8	-39.9	-177.8	-58.6	-62.9	0	0	0	111.8	Y104 M105 G110 R111 R390 L392 V396 F398 V410 L412	Y104-I108 WeakPolarHBondContact O-CG1 3.32Å; Y104-I108 PolarHBondContact O-N 3.33Å; M105-I108 PolarHBondContact O-N 2.87Å; I108-G110 VanDerWaalsContact C-N 3.32Å; I108-R111 WeakPolarHBondContact O-CB 3.34Å; I108-R111 PolarHBondContact O-N 2.97Å; I108-R390 HydrophobicContact CG2-CB 4.4Å; I108-R390 HydrophobicContact CG2-CG 4.19Å; I108-L392 HydrophobicContact CD1-CD2 3.98Å; I108-V396 HydrophobicContact CD1-CG1 4.15Å; I108-V396 HydrophobicContact CD1-CG2 4.31Å; I108-F398 HydrophobicContact CD1-CE1 3.89Å; I108-F398 HydrophobicContact CD1-CZ 4Å; I108-F398 HydrophobicContact CG1-CE1 3.96Å; I108-F398 HydrophobicContact CG1-CZ 4.34Å; I108-V410 HydrophobicContact CD1-CG2 4.37Å; I108-V410 HydrophobicContact CG1-CG1 4.31Å; I108-L412 HydrophobicContact CB-CD2 3.87Å; I108-L412 HydrophobicContact CG1-CD2 4.26Å; I108-L412 HydrophobicContact CG2-CD1 4.13Å; I108-L412 HydrophobicContact CG2-CD2 3.8Å; I108-L412 HydrophobicContact CG2-CG 4.3Å
109	L	96.4	Very high	95.2	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-74.1	-23	-179.9	-70	170.6	0	0	0	113	M105 R111 L412 L447 S450 G452	M105-L109 HydrophobicContact CB-CD1 4.41Å; M105-L109 VanDerWaalsContact O-CB 3.23Å; M105-L109 WeakPolarHBondContact O-CB 3.46Å; M105-L109 VanDerWaalsContact O-CG 3.27Å; M105-L109 WeakPolarHBondContact O-CG 3.36Å; M105-L109 PolarHBondContact O-N 3.23Å; L109-R111 PolarHBondContact O-N 3.06Å; L109-L412 HydrophobicContact CD1-CD1 4.32Å; L109-L412 HydrophobicContact CD2-CD1 3.35Å; L109-L412 HydrophobicContact CG-CD1 3.67Å; L109-L447 HydrophobicContact CD1-CD1 3.69Å; L109-L447 HydrophobicContact CD1-CD2 4.34Å; L109-S450 WeakPolarHBondContact CD2-OG 3.37Å; L109-G452 WeakPolarHBondContact O-CA 3.25Å
110	G	95.1	Very high	95	Very high	65 Å²	65	38.8 Å²	38.8	67%	0.67	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.9	169.7	0	0	0	0	0	114	K106 I108	K106-G110 PolarHBondContact O-N 3.31Å; I108-G110 VanDerWaalsContact C-N 3.32Å
111	R	94.5	Very high	94.9	Very high	58 Å²	58	39 Å²	39	22%	0.219	22%	0.222	C	C	.	.	S	Bend	trans	-105.8	156.3	-176.7	-62.3	166	55.4	92.1	11.3	111.8	V107 I108 L109 D113 T394 P395	V107-R111 WeakPolarHBondContact O-CD 3.32Å; V107-R111 WeakPolarHBondContact O-CG 3.15Å; I108-R111 WeakPolarHBondContact O-CB 3.34Å; I108-R111 PolarHBondContact O-N 2.97Å; L109-R111 PolarHBondContact O-N 3.06Å; R111-D113 VanDerWaalsContact C-N 3.33Å; R111-D113 VanDerWaalsContact CB-OD2 3.23Å; R111-D113 WeakPolarHBondContact CB-OD2 3.4Å; R111-D113 IonicContact CZ-OD1 3.34Å; R111-D113 IonicContact CZ-OD2 3.06Å; R111-D113 IonicContact NE-OD1 3.14Å; R111-D113 IonicContact NE-OD2 3.95Å; R111-D113 PolarHBondContact NE-OD2 3.17Å; R111-D113 IonicContact NH2-OD1 3.94Å; R111-D113 PolarHBondContact NH2-OD1 3.13Å; R111-D113 IonicContact NH2-OD2 3.95Å; R111-D113 PolarHBondContact NH2-OD2 3.28Å; R111-D113 PolarHBondContact O-N 3.23Å; R111-T394 PolarHBondContact NH1-OG1 3.36Å; R111-T394 PolarHBondContact NH2-O 3Å; R111-T394 PolarHBondContact NH2-OG1 3.4Å; R111-P395 PolarHBondContact NH1-O 3.25Å
112	A	92.2	Very high	94.8	Very high	78 Å²	78	37.5 Å²	37.5	65%	0.645	21%	0.214	S	C	*	.			trans	-94.9	25.3	178.8	0	0	0	0	0	113.4
113	D	94.4	Very high	94.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-58.5	140.4	-176.6	-66.7	-65.2	0	0	0	112.1	R111 R390 S393	R111-D113 VanDerWaalsContact C-N 3.33Å; R111-D113 VanDerWaalsContact CB-OD2 3.23Å; R111-D113 WeakPolarHBondContact CB-OD2 3.4Å; R111-D113 IonicContact CZ-OD1 3.34Å; R111-D113 IonicContact CZ-OD2 3.06Å; R111-D113 IonicContact NE-OD1 3.14Å; R111-D113 IonicContact NE-OD2 3.95Å; R111-D113 PolarHBondContact NE-OD2 3.17Å; R111-D113 IonicContact NH2-OD1 3.94Å; R111-D113 PolarHBondContact NH2-OD1 3.13Å; R111-D113 IonicContact NH2-OD2 3.95Å; R111-D113 PolarHBondContact NH2-OD2 3.28Å; R111-D113 PolarHBondContact O-N 3.23Å; D113-R390 HydrophobicContact CB-CB 4.42Å; D113-R390 VanDerWaalsContact O-CD 3.26Å; D113-R390 WeakPolarHBondContact O-CD 3.42Å; D113-R390 PolarHBondContact O-NH1 3.13Å; D113-S393 WeakPolarHBondContact OD1-CB 3.37Å; D113-S393 PolarHBondContact OD1-N 3.02Å; D113-S393 PolarHBondContact OD1-OG 3.27Å
114	P	93.8	Very high	94.4	Very high	43 Å²	43	38.3 Å²	38.3	28%	0.279	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-65.8	161	-178	27.7	-36.1	0	0	0	112.2	N134 R390 K391	P114-N134 WeakPolarHBondContact CA-OD1 3.26Å; P114-N134 HydrophobicContact CB-CB 4.44Å; P114-R390 CarbonylContact O-C 3.58Å; P114-R390 WeakPolarHBondContact O-CA 3.31Å; P114-K391 VanDerWaalsContact CD-O 3.31Å; P114-K391 WeakPolarHBondContact CD-O 3.16Å; P114-K391 PolarHBondContact O-N 3.08Å
115	K	93.6	Very high	94.3	Very high	44 Å²	44	38.3 Å²	38.3	19%	0.191	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-61.4	151.6	173.5	-74.6	-159	172.3	-176.1	0	111.9	Y119 F131 F132 G389	K115-Y119 HydrophobicContact CB-CD2 3.69Å; K115-Y119 HydrophobicContact CB-CE2 4.19Å; K115-Y119 HydrophobicContact CB-CG 4.24Å; K115-Y119 HydrophobicContact CD-CD1 4.32Å; K115-Y119 HydrophobicContact CD-CD2 4.07Å; K115-Y119 HydrophobicContact CD-CE1 4.44Å; K115-Y119 HydrophobicContact CD-CE2 4.2Å; K115-Y119 HydrophobicContact CD-CG 4.12Å; K115-Y119 HydrophobicContact CG-CD2 4.35Å; K115-Y119 HydrophobicContact CG-CE2 4.47Å; K115-F131 WeakPolarHBondContact CD-O 3.21Å; K115-F131 WeakPolarHBondContact CE-O 3.28Å; K115-F131 PolarHBondContact NZ-O 3.29Å; K115-F132 HydrophobicContact CD-CD1 4.2Å; K115-G389 WeakPolarHBondContact CA-O 3.44Å
116	A	93.5	Very high	94.2	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.033	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-55	148.2	175.7	0	0	0	0	0	112.3	L118 Y119 G389 T409	A116-L118 PolarHBondContact O-N 2.91Å; A116-L118 VanDerWaalsContact O-N 3.08Å; A116-Y119 HydrophobicContact CB-CD2 3.95Å; A116-Y119 HydrophobicContact CB-CE2 4.07Å; A116-Y119 WeakPolarHBondContact O-CB 3.18Å; A116-Y119 VanDerWaalsContact O-CD2 3.29Å; A116-Y119 WeakPolarHBondContact O-CD2 3.45Å; A116-Y119 PolarHBondContact O-N 3.49Å; A116-Y119 VanDerWaalsContact O-N 3.08Å; A116-G389 PolarHBondContact N-O 3.17Å; A116-T409 HydrophobicContact CB-CG2 3.59Å
117	S	90.5	Very high	94	Very high	66 Å²	66	34 Å²	34	46%	0.462	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-61.9	-22.6	-177.6	53.4	0	0	0	0	114	Y119 R120	S117-Y119 PolarHBondContact O-N 3.12Å; S117-R120 WeakPolarHBondContact O-CB 3.24Å; S117-R120 WeakPolarHBondContact O-CD 3.26Å; S117-R120 WeakPolarHBondContact O-CG 3.48Å; S117-R120 PolarHBondContact O-N 3.21Å
118	L	90	Very high	93.7	Very high	28 Å²	28	36.7 Å²	36.7	15%	0.147	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.7	175.9	-64.8	179.8	0	0	0	113.1	F96 A116 R120 F121 M231 H237	F96-L118 HydrophobicContact CE1-CD1 4.39Å; F96-L118 HydrophobicContact CE2-CD1 4.04Å; F96-L118 HydrophobicContact CZ-CD1 3.54Å; F96-L118 HydrophobicContact CZ-CG 4.25Å; A116-L118 PolarHBondContact O-N 2.91Å; A116-L118 VanDerWaalsContact O-N 3.08Å; L118-R120 PolarHBondContact O-N 2.86Å; L118-R120 VanDerWaalsContact O-N 3.13Å; L118-F121 HydrophobicContact CD2-CE2 3.73Å; L118-F121 HydrophobicContact CD2-CZ 4.47Å; L118-F121 WeakPolarHBondContact O-CD2 3.24Å; L118-F121 WeakPolarHBondContact O-CG 3.49Å; L118-F121 PolarHBondContact O-N 3.03Å; L118-M231 HydrophobicContact CB-CG 4.47Å; L118-H237 WeakPolarHBondContact CD2-CE1 3.4Å
119	Y	91.8	Very high	93.3	Very high	42 Å²	42	36.6 Å²	36.6	17%	0.165	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-64.7	-15.4	179.1	-74.8	-77.2	0	0	0	113.1	K115 A116 S117 F121 L122 F132 V388 G389	K115-Y119 HydrophobicContact CB-CD2 3.69Å; K115-Y119 HydrophobicContact CB-CE2 4.19Å; K115-Y119 HydrophobicContact CB-CG 4.24Å; K115-Y119 HydrophobicContact CD-CD1 4.32Å; K115-Y119 HydrophobicContact CD-CD2 4.07Å; K115-Y119 HydrophobicContact CD-CE1 4.44Å; K115-Y119 HydrophobicContact CD-CE2 4.2Å; K115-Y119 HydrophobicContact CD-CG 4.12Å; K115-Y119 HydrophobicContact CG-CD2 4.35Å; K115-Y119 HydrophobicContact CG-CE2 4.47Å; A116-Y119 HydrophobicContact CB-CD2 3.95Å; A116-Y119 HydrophobicContact CB-CE2 4.07Å; A116-Y119 WeakPolarHBondContact O-CB 3.18Å; A116-Y119 VanDerWaalsContact O-CD2 3.29Å; A116-Y119 WeakPolarHBondContact O-CD2 3.45Å; A116-Y119 PolarHBondContact O-N 3.49Å; A116-Y119 VanDerWaalsContact O-N 3.08Å; S117-Y119 PolarHBondContact O-N 3.12Å; Y119-F121 PolarHBondContact O-N 3.29Å; Y119-F121 VanDerWaalsContact O-N 3.14Å; Y119-L122 HydrophobicContact CD1-CD1 3.96Å; Y119-L122 WeakPolarHBondContact O-CB 3.3Å; Y119-L122 PolarHBondContact O-N 3.08Å; Y119-F132 HydrophobicContact CD1-CD1 4.48Å; Y119-F132 AromaticContact CD1-CE1 3.71Å; Y119-F132 HydrophobicContact CD1-CE1 3.71Å; Y119-F132 HydrophobicContact CG-CD1 4.45Å; Y119-F132 HydrophobicContact CG-CE1 4.06Å; Y119-V388 WeakPolarHBondContact OH-CA 3.31Å; Y119-G389 PolarHBondContact OH-N 3.08Å; Y119-G389 VanDerWaalsContact OH-N 3.15Å
120	R	93.8	Very high	93.1	Very high	103 Å²	103	37.1 Å²	37.1	39%	0.389	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-59.9	-22.2	173.1	79.4	-169.4	179.4	89.8	-4.9	113.6	S117 L118 L122 T123 H237 D239	S117-R120 WeakPolarHBondContact O-CB 3.24Å; S117-R120 WeakPolarHBondContact O-CD 3.26Å; S117-R120 WeakPolarHBondContact O-CG 3.48Å; S117-R120 PolarHBondContact O-N 3.21Å; L118-R120 PolarHBondContact O-N 2.86Å; L118-R120 VanDerWaalsContact O-N 3.13Å; R120-L122 PolarHBondContact O-N 2.97Å; R120-T123 WeakPolarHBondContact O-CB 3.42Å; R120-T123 PolarHBondContact O-N 2.79Å; R120-T123 PolarHBondContact O-OG1 3.48Å; R120-H237 PolarHBondContact NH2-O 3.37Å; R120-D239 IonicContact CZ-OD1 3.24Å; R120-D239 IonicContact CZ-OD2 3.16Å; R120-D239 VanDerWaalsContact NH1-CG 3.26Å; R120-D239 IonicContact NH1-OD1 3.97Å; R120-D239 PolarHBondContact NH1-OD1 2.9Å; R120-D239 IonicContact NH1-OD2 2.79Å; R120-D239 PolarHBondContact NH1-OD2 3.37Å; R120-D239 IonicContact NH2-OD2 2.86Å
121	F	94.2	Very high	92.8	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-70.5	-16.1	176.7	-56.8	-36.8	0	0	0	113.1	L118 Y119 V227 R230 M231 H237	L118-F121 HydrophobicContact CD2-CE2 3.73Å; L118-F121 HydrophobicContact CD2-CZ 4.47Å; L118-F121 WeakPolarHBondContact O-CD2 3.24Å; L118-F121 WeakPolarHBondContact O-CG 3.49Å; L118-F121 PolarHBondContact O-N 3.03Å; Y119-F121 PolarHBondContact O-N 3.29Å; Y119-F121 VanDerWaalsContact O-N 3.14Å; F121-V227 HydrophobicContact CB-CG1 4.28Å; F121-R230 HydrophobicContact CD1-CG 4.32Å; F121-R230 HydrophobicContact CD2-CG 4.09Å; F121-R230 HydrophobicContact CE2-CG 4.32Å; F121-R230 HydrophobicContact CG-CG 4.11Å; F121-M231 HydrophobicContact CD2-CG 3.86Å; F121-H237 AromaticContact CE2-CD2 3.59Å; F121-H237 AromaticContact CE2-CG 3.97Å; F121-H237 AromaticContact CE2-NE2 3.87Å; F121-H237 HydrophobicContact CZ-CB 3.77Å; F121-H237 AromaticContact CZ-CD2 3.62Å; F121-H237 AromaticContact CZ-CG 3.61Å
122	L	94.3	Very high	92.6	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-90	-16.7	173.4	-70.8	164.5	0	0	0	112.9	Y119 R120 P124 W125 L126 F132 V227 M231 L493	Y119-L122 HydrophobicContact CD1-CD1 3.96Å; Y119-L122 WeakPolarHBondContact O-CB 3.3Å; Y119-L122 PolarHBondContact O-N 3.08Å; R120-L122 PolarHBondContact O-N 2.97Å; L122-P124 VanDerWaalsContact C-CD 3.48Å; L122-W125 HydrophobicContact CD2-CE3 3.6Å; L122-W125 HydrophobicContact CD2-CZ3 3.85Å; L122-W125 PolarHBondContact O-N 3.13Å; L122-L126 HydrophobicContact CB-CD1 4.39Å; L122-L126 HydrophobicContact CD2-CD1 4.36Å; L122-L126 PolarHBondContact O-N 2.99Å; L122-F132 HydrophobicContact CB-CE1 4.23Å; L122-F132 HydrophobicContact CB-CE2 4.22Å; L122-F132 HydrophobicContact CB-CZ 3.58Å; L122-F132 HydrophobicContact CD1-CE1 4.1Å; L122-F132 HydrophobicContact CD1-CZ 3.78Å; L122-F132 HydrophobicContact CG-CZ 4.32Å; L122-V227 HydrophobicContact CD2-CB 4.29Å; L122-V227 HydrophobicContact CD2-CG1 3.71Å; L122-V227 HydrophobicContact CD2-CG2 4.11Å; L122-V227 HydrophobicContact CG-CG1 3.92Å; L122-M231 HydrophobicContact CD1-CE 3.99Å; L122-M231 HydrophobicContact CG-CE 4.17Å; L122-L493 HydrophobicContact CD1-CD1 4.48Å; L122-L493 HydrophobicContact CD1-CD2 4.43Å; L122-L493 HydrophobicContact CD2-CD1 3.66Å
123	T	93.4	Very high	92.6	Very high	35 Å²	35	31.8 Å²	31.8	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-56.5	-39.5	-177.1	-58.6	0	0	0	0	113.7	R120 W125 G127 H128	R120-T123 WeakPolarHBondContact O-CB 3.42Å; R120-T123 PolarHBondContact O-N 2.79Å; R120-T123 PolarHBondContact O-OG1 3.48Å; T123-W125 PolarHBondContact O-N 3.05Å; T123-G127 VanDerWaalsContact O-CA 3.24Å; T123-G127 WeakPolarHBondContact O-CA 2.97Å; T123-G127 PolarHBondContact O-N 2.99Å; T123-H128 VanDerWaalsContact CG2-NE2 3.31Å; T123-H128 WeakPolarHBondContact CG2-NE2 3.37Å
124	P	94	Very high	92.5	Very high	64 Å²	64	34.5 Å²	34.5	42%	0.416	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-22.1	175.1	-24.5	35.9	0	0	0	114.2	L122 H259	L122-P124 VanDerWaalsContact C-CD 3.48Å; P124-H259 PolarHBondContact O-CE1 2.88Å
125	W	95.9	Very high	92.3	Very high	3 Å²	3	35 Å²	35	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-95.6	-55.9	178.9	171	24.3	0	0	0	111.4	L122 T123 V220 L223 H259 F319 L493	L122-W125 HydrophobicContact CD2-CE3 3.6Å; L122-W125 HydrophobicContact CD2-CZ3 3.85Å; L122-W125 PolarHBondContact O-N 3.13Å; T123-W125 PolarHBondContact O-N 3.05Å; W125-V220 HydrophobicContact CH2-CG1 4.1Å; W125-V220 HydrophobicContact CZ2-CB 4.41Å; W125-V220 HydrophobicContact CZ2-CG1 4.06Å; W125-V220 HydrophobicContact CZ2-CG2 4.01Å; W125-L223 HydrophobicContact CB-CD1 4.45Å; W125-L223 HydrophobicContact CD2-CB 4.17Å; W125-L223 HydrophobicContact CD2-CD1 3.71Å; W125-L223 HydrophobicContact CD2-CG 4.41Å; W125-L223 HydrophobicContact CE3-CB 3.92Å; W125-L223 HydrophobicContact CE3-CD1 4.33Å; W125-L223 HydrophobicContact CG-CD1 3.73Å; W125-L223 HydrophobicContact CH2-CB 4.34Å; W125-L223 HydrophobicContact CZ2-CD1 4.36Å; W125-L223 HydrophobicContact CZ3-CB 4.01Å; W125-H259 PolarHBondContact O-NE2 3.39Å; W125-F319 HydrophobicContact CH2-CB 4.41Å; W125-F319 HydrophobicContact CH2-CD1 4.28Å; W125-F319 AromaticContact CH2-CD2 3.26Å; W125-F319 HydrophobicContact CH2-CD2 3.26Å; W125-F319 HydrophobicContact CH2-CE1 4.42Å; W125-F319 AromaticContact CH2-CE2 3.43Å; W125-F319 HydrophobicContact CH2-CE2 3.43Å; W125-F319 VanDerWaalsContact CH2-CE2 3.43Å; W125-F319 AromaticContact CH2-CG 3.72Å; W125-F319 HydrophobicContact CH2-CG 3.72Å; W125-F319 HydrophobicContact CH2-CZ 4.02Å; W125-F319 HydrophobicContact CZ2-CB 3.95Å; W125-F319 AromaticContact CZ2-CD2 3.53Å; W125-F319 HydrophobicContact CZ2-CD2 3.53Å; W125-F319 HydrophobicContact CZ2-CE2 4.19Å; W125-F319 AromaticContact CZ2-CG 3.77Å; W125-F319 HydrophobicContact CZ2-CG 3.77Å; W125-F319 HydrophobicContact CZ3-CD2 4.34Å; W125-F319 HydrophobicContact CZ3-CE2 4.25Å; W125-F319 HydrophobicContact CZ3-CZ 4.44Å; W125-L493 HydrophobicContact CZ3-CD1 4.12Å
126	L	95.1	Very high	92.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-99.5	-3.5	-168.6	-62.1	-179.3	0	0	0	113.8	L122 F132 A312 D315 S316 F319	L122-L126 HydrophobicContact CB-CD1 4.39Å; L122-L126 HydrophobicContact CD2-CD1 4.36Å; L122-L126 PolarHBondContact O-N 2.99Å; L126-F132 HydrophobicContact CB-CE2 3.64Å; L126-F132 HydrophobicContact CB-CZ 4.45Å; L126-F132 HydrophobicContact CD1-CE2 3.9Å; L126-F132 HydrophobicContact CD1-CZ 3.96Å; L126-F132 HydrophobicContact CG-CE2 4.41Å; L126-A312 WeakPolarHBondContact O-CA 3.06Å; L126-D315 HydrophobicContact CD2-CB 4.24Å; L126-S316 PolarHBondContact O-OG 3.34Å; L126-F319 HydrophobicContact CD1-CD1 3.82Å; L126-F319 HydrophobicContact CD1-CE1 4.32Å; L126-F319 HydrophobicContact CD2-CB 3.78Å; L126-F319 HydrophobicContact CD2-CD1 4.27Å; L126-F319 HydrophobicContact CD2-CG 4.24Å
127	G	93	Very high	92.1	Very high	15 Å²	15	44.1 Å²	44.1	16%	0.155	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	-156.2	-176.3	0	0	0	0	0	113.9	T123 F132	T123-G127 VanDerWaalsContact O-CA 3.24Å; T123-G127 WeakPolarHBondContact O-CA 2.97Å; T123-G127 PolarHBondContact O-N 2.99Å; G127-F132 WeakPolarHBondContact O-CD2 3.4Å
128	H	90.7	Very high	92.2	Very high	100 Å²	100	42.2 Å²	42.2	46%	0.463	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	60.2	174.9	-76.4	-86	0	0	0	110.6	T123 L133	T123-H128 VanDerWaalsContact CG2-NE2 3.31Å; T123-H128 WeakPolarHBondContact CG2-NE2 3.37Å; H128-L133 HydrophobicContact CB-CD2 4.38Å; H128-L133 WeakPolarHBondContact O-CD2 3.36Å; H128-L133 WeakPolarHBondContact O-CG 3.3Å
129	G	89.7	Confident	92.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-86.1	-169.6	172.3	0	0	0	0	0	112.6	F131 F132 L133 E313	G129-F131 PolarHBondContact O-N 3.46Å; G129-F132 PolarHBondContact O-N 3.32Å; G129-L133 WeakPolarHBondContact O-CG 3.31Å; G129-L133 PolarHBondContact O-N 2.83Å; G129-E313 WeakPolarHBondContact CA-OE1 3.45Å
130	L	91.5	Very high	92.4	Very high	17 Å²	17	47 Å²	47	9%	0.089	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-30.8	-177.8	-175.3	69.9	0	0	0	113.6	F132 H141 R142 L145 E313 I457	L130-F132 VanDerWaalsContact C-N 3.33Å; L130-F132 PolarHBondContact O-N 2.63Å; L130-H141 HydrophobicContact CD1-CB 4.21Å; L130-R142 HydrophobicContact CD1-CB 3.78Å; L130-L145 HydrophobicContact CB-CD1 4.33Å; L130-L145 HydrophobicContact CD2-CD1 4.19Å; L130-E313 VanDerWaalsContact CB-OE2 3.29Å; L130-E313 WeakPolarHBondContact CB-OE2 3.43Å; L130-E313 PolarHBondContact N-OE1 3.31Å; L130-E313 PolarHBondContact N-OE2 3.38Å; L130-I457 HydrophobicContact CD2-CB 4.46Å; L130-I457 HydrophobicContact CD2-CD1 3.84Å; L130-I457 HydrophobicContact CD2-CG2 4.18Å
131	F	88	Confident	92.3	Very high	70 Å²	70	42.4 Å²	42.4	31%	0.307	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-36.6	175	-88.1	-101.8	0	0	0	113.4	K115 G129 S316	K115-F131 WeakPolarHBondContact CD-O 3.21Å; K115-F131 WeakPolarHBondContact CE-O 3.28Å; K115-F131 PolarHBondContact NZ-O 3.29Å; G129-F131 PolarHBondContact O-N 3.46Å; F131-S316 WeakPolarHBondContact CE2-O 3.35Å
132	F	91.3	Very high	92.3	Very high	14 Å²	14	44.1 Å²	44.1	6%	0.061	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-19.7	-170.7	-57.1	-63.8	0	0	0	114.5	K115 Y119 L122 L126 G127 G129 L130 N134	K115-F132 HydrophobicContact CD-CD1 4.2Å; Y119-F132 HydrophobicContact CD1-CD1 4.48Å; Y119-F132 AromaticContact CD1-CE1 3.71Å; Y119-F132 HydrophobicContact CD1-CE1 3.71Å; Y119-F132 HydrophobicContact CG-CD1 4.45Å; Y119-F132 HydrophobicContact CG-CE1 4.06Å; L122-F132 HydrophobicContact CB-CE1 4.23Å; L122-F132 HydrophobicContact CB-CE2 4.22Å; L122-F132 HydrophobicContact CB-CZ 3.58Å; L122-F132 HydrophobicContact CD1-CE1 4.1Å; L122-F132 HydrophobicContact CD1-CZ 3.78Å; L122-F132 HydrophobicContact CG-CZ 4.32Å; L126-F132 HydrophobicContact CB-CE2 3.64Å; L126-F132 HydrophobicContact CB-CZ 4.45Å; L126-F132 HydrophobicContact CD1-CE2 3.9Å; L126-F132 HydrophobicContact CD1-CZ 3.96Å; L126-F132 HydrophobicContact CG-CE2 4.41Å; G127-F132 WeakPolarHBondContact O-CD2 3.4Å; G129-F132 PolarHBondContact O-N 3.32Å; L130-F132 VanDerWaalsContact C-N 3.33Å; L130-F132 PolarHBondContact O-N 2.63Å; F132-N134 PolarHBondContact O-ND2 3.03Å
133	L	92.7	Very high	92.3	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	25%	0.254	C	S	.	.			trans	-55.5	152.7	173.4	-69	174.2	0	0	0	111.7	H128 G129 E137 W138 H141 R454	H128-L133 HydrophobicContact CB-CD2 4.38Å; H128-L133 WeakPolarHBondContact O-CD2 3.36Å; H128-L133 WeakPolarHBondContact O-CG 3.3Å; G129-L133 WeakPolarHBondContact O-CG 3.31Å; G129-L133 PolarHBondContact O-N 2.83Å; L133-E137 HydrophobicContact CD1-CG 4.14Å; L133-E137 HydrophobicContact CD2-CB 4.43Å; L133-E137 HydrophobicContact CD2-CG 3.82Å; L133-E137 VanDerWaalsContact CD2-OE2 3.29Å; L133-E137 WeakPolarHBondContact CD2-OE2 3.34Å; L133-W138 HydrophobicContact CB-CB 3.72Å; L133-W138 HydrophobicContact CB-CG 4.41Å; L133-H141 HydrophobicContact CD1-CB 4.03Å; L133-H141 WeakPolarHBondContact CD1-ND1 3.46Å; L133-R454 PolarHBondContact O-NH1 2.86Å; L133-R454 PolarHBondContact O-NH2 3.36Å
134	N	91.5	Very high	92.2	Very high	58 Å²	58	49.3 Å²	49.3	31%	0.31	25%	0.251	S	S	.	.			trans	-140.9	172.1	173.4	-54.2	-73.9	0	0	0	109.6	P114 F132 W138 R454	P114-N134 WeakPolarHBondContact CA-OD1 3.26Å; P114-N134 HydrophobicContact CB-CB 4.44Å; F132-N134 PolarHBondContact O-ND2 3.03Å; N134-W138 PolarHBondContact O-N 2.98Å; N134-R454 PolarHBondContact OD1-NH1 3.39Å
135	G	90.5	Very high	92.1	Very high	53 Å²	53	46.3 Å²	46.3	55%	0.546	23%	0.231	S	C	.	.	H	α-helix	trans	63.1	-149.2	178.9	0	0	0	0	0	113.2	W138 F139	G135-W138 WeakPolarHBondContact O-CB 3.46Å; G135-W138 PolarHBondContact O-N 3.21Å; G135-F139 PolarHBondContact O-N 3.31Å
136	D	91.2	Very high	92	Very high	135 Å²	135	49.3 Å²	49.3	72%	0.722	25%	0.25	S	C	*	.	H	α-helix	trans	-67.2	-37.3	-173.7	-59.7	-28.4	0	0	0	112.6	W138 F139 Q140	D136-W138 VanDerWaalsContact C-N 3.31Å; D136-W138 PolarHBondContact O-N 3.23Å; D136-F139 WeakPolarHBondContact O-CB 3.37Å; D136-F139 PolarHBondContact O-N 2.84Å; D136-Q140 WeakPolarHBondContact O-CG 3.27Å; D136-Q140 PolarHBondContact O-N 2.73Å
137	E	90.9	Very high	91.8	Very high	105 Å²	105	52.5 Å²	52.5	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-59.1	-43	176.2	-167.9	-177.5	-173.1	0	0	111	L133 F139 Q140 H141	L133-E137 HydrophobicContact CD1-CG 4.14Å; L133-E137 HydrophobicContact CD2-CB 4.43Å; L133-E137 HydrophobicContact CD2-CG 3.82Å; L133-E137 VanDerWaalsContact CD2-OE2 3.29Å; L133-E137 WeakPolarHBondContact CD2-OE2 3.34Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 2.75Å; E137-Q140 PolarHBondContact O-N 2.73Å; E137-H141 PolarHBondContact O-CD2 3.48Å; E137-H141 PolarHBondContact O-N 3.36Å
138	W	93.7	Very high	91.8	Very high	26 Å²	26	51.8 Å²	51.8	10%	0.098	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-42.2	173.1	172.9	79	0	0	0	112.3	L133 N134 G135 D136 H141 R142 S453 R454	L133-W138 HydrophobicContact CB-CB 3.72Å; L133-W138 HydrophobicContact CB-CG 4.41Å; N134-W138 PolarHBondContact O-N 2.98Å; G135-W138 WeakPolarHBondContact O-CB 3.46Å; G135-W138 PolarHBondContact O-N 3.21Å; D136-W138 VanDerWaalsContact C-N 3.31Å; D136-W138 PolarHBondContact O-N 3.23Å; W138-H141 PolarHBondContact O-N 3.31Å; W138-R142 HydrophobicContact CH2-CB 4.3Å; W138-R142 HydrophobicContact CH2-CG 4.09Å; W138-R142 HydrophobicContact CZ2-CB 3.99Å; W138-R142 HydrophobicContact CZ2-CG 3.86Å; W138-R142 VanDerWaalsContact O-CB 3.23Å; W138-R142 WeakPolarHBondContact O-CB 3.4Å; W138-R142 PolarHBondContact O-N 3.41Å; W138-S453 WeakPolarHBondContact CH2-O 3.32Å; W138-S453 VanDerWaalsContact CZ2-O 3.23Å; W138-S453 WeakPolarHBondContact CZ2-O 3.35Å; W138-R454 VanDerWaalsContact CD1-NH2 3.32Å; W138-R454 VanDerWaalsContact CE2-CD 3.42Å; W138-R454 VanDerWaalsContact CE2-NE 3.25Å; W138-R454 VanDerWaalsContact CZ2-CD 3.41Å; W138-R454 VanDerWaalsContact NE1-NE 3.16Å
139	F	92.3	Very high	91.9	Very high	114 Å²	114	47.8 Å²	47.8	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-43.1	-179	-177.5	-96.9	0	0	0	111.4	G135 D136 E137 R142 R143	G135-F139 PolarHBondContact O-N 3.31Å; D136-F139 WeakPolarHBondContact O-CB 3.37Å; D136-F139 PolarHBondContact O-N 2.84Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 2.75Å; F139-R142 PolarHBondContact O-N 2.77Å; F139-R143 WeakPolarHBondContact O-CB 3.43Å; F139-R143 PolarHBondContact O-N 2.94Å
140	Q	92.2	Very high	91.9	Very high	57 Å²	57	51.5 Å²	51.5	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-58.8	-51.2	175	-73.3	179.4	1.3	0	0	111.2	D136 E137 R142 R143 L144 M299 D300	D136-Q140 WeakPolarHBondContact O-CG 3.27Å; D136-Q140 PolarHBondContact O-N 2.73Å; E137-Q140 PolarHBondContact O-N 2.73Å; Q140-R142 VanDerWaalsContact C-N 3.34Å; Q140-R142 PolarHBondContact O-N 2.76Å; Q140-R143 PolarHBondContact O-N 3.37Å; Q140-L144 WeakPolarHBondContact O-CB 3.29Å; Q140-L144 PolarHBondContact O-N 3.08Å; Q140-M299 HydrophobicContact CB-CE 4.23Å; Q140-D300 PolarHBondContact NE2-OD2 3.3Å
141	H	93	Very high	91.7	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.023	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-40.9	177.4	-77.4	-136.5	0	0	0	111.7	L130 L133 E137 W138 R143 L144 L145 E313	L130-H141 HydrophobicContact CD1-CB 4.21Å; L133-H141 HydrophobicContact CD1-CB 4.03Å; L133-H141 WeakPolarHBondContact CD1-ND1 3.46Å; E137-H141 PolarHBondContact O-CD2 3.48Å; E137-H141 PolarHBondContact O-N 3.36Å; W138-H141 PolarHBondContact O-N 3.31Å; H141-R143 PolarHBondContact O-N 3.13Å; H141-L144 WeakPolarHBondContact O-CB 3.34Å; H141-L144 PolarHBondContact O-N 3.36Å; H141-L145 WeakPolarHBondContact O-CB 3.28Å; H141-L145 VanDerWaalsContact O-CG 3.25Å; H141-L145 WeakPolarHBondContact O-CG 3.42Å; H141-L145 PolarHBondContact O-N 2.92Å; H141-E313 IonicContact CE1-OE1 3.91Å; H141-E313 IonicContact CG-OE1 3.73Å; H141-E313 IonicContact ND1-OE1 2.73Å; H141-E313 PolarHBondContact ND1-OE1 3.3Å
142	R	94.2	Very high	91.7	Very high	41 Å²	41	55.5 Å²	55.5	16%	0.155	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-44.9	176.7	-178.2	57.4	-177.8	-116.9	-3.5	111.1	L130 W138 F139 Q140 L145 T146 N455	L130-R142 HydrophobicContact CD1-CB 3.78Å; W138-R142 HydrophobicContact CH2-CB 4.3Å; W138-R142 HydrophobicContact CH2-CG 4.09Å; W138-R142 HydrophobicContact CZ2-CB 3.99Å; W138-R142 HydrophobicContact CZ2-CG 3.86Å; W138-R142 VanDerWaalsContact O-CB 3.23Å; W138-R142 WeakPolarHBondContact O-CB 3.4Å; W138-R142 PolarHBondContact O-N 3.41Å; F139-R142 PolarHBondContact O-N 2.77Å; Q140-R142 VanDerWaalsContact C-N 3.34Å; Q140-R142 PolarHBondContact O-N 2.76Å; R142-L145 PolarHBondContact O-N 3.47Å; R142-T146 PolarHBondContact NE-OG1 3.22Å; R142-T146 WeakPolarHBondContact O-CB 3.43Å; R142-T146 PolarHBondContact O-N 3.22Å; R142-T146 PolarHBondContact O-OG1 3.48Å; R142-N455 PolarHBondContact NH1-O 3.33Å; R142-N455 PolarHBondContact NH2-OD1 2.81Å
143	R	92.6	Very high	91.5	Very high	122 Å²	122	55.2 Å²	55.2	46%	0.46	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-45.3	177.7	-176.5	175.7	66.7	-160.1	-5.6	111	F139 Q140 H141 L145 P147 D300	F139-R143 WeakPolarHBondContact O-CB 3.43Å; F139-R143 PolarHBondContact O-N 2.94Å; Q140-R143 PolarHBondContact O-N 3.37Å; H141-R143 PolarHBondContact O-N 3.13Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 2.91Å; R143-P147 VanDerWaalsContact O-CD 3.27Å; R143-P147 WeakPolarHBondContact O-CD 3.48Å; R143-D300 IonicContact CZ-OD1 3.18Å; R143-D300 IonicContact CZ-OD2 3.88Å; R143-D300 IonicContact NH2-OD1 3.8Å; R143-D300 PolarHBondContact NH2-OD1 3.44Å; R143-D300 IonicContact NH2-OD2 2.64Å; R143-D300 PolarHBondContact NH2-OD2 3.03Å
144	L	91.9	Very high	91.4	Very high	29 Å²	29	55 Å²	55	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-44.6	177.7	-171.4	69.4	0	0	0	112.1	Q140 H141 P147 I293 M299 L305	Q140-L144 WeakPolarHBondContact O-CB 3.29Å; Q140-L144 PolarHBondContact O-N 3.08Å; H141-L144 WeakPolarHBondContact O-CB 3.34Å; H141-L144 PolarHBondContact O-N 3.36Å; L144-P147 WeakPolarHBondContact O-CD 3.5Å; L144-I293 HydrophobicContact CD1-CG2 4.46Å; L144-I293 HydrophobicContact CG-CG2 4.15Å; L144-I293 WeakPolarHBondContact O-CG2 3.19Å; L144-M299 HydrophobicContact CD2-SD 4.4Å; L144-L305 HydrophobicContact CD2-CD1 3.85Å; L144-L305 HydrophobicContact CD2-CG 4.44Å
145	L	92.9	Very high	91.3	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-90.4	-20.8	-170.5	-66	174.7	0	0	0	114.5	L130 H141 R142 R143 P147 A148 F149 F290 I293 L294 E313 I457	L130-L145 HydrophobicContact CB-CD1 4.33Å; L130-L145 HydrophobicContact CD2-CD1 4.19Å; H141-L145 WeakPolarHBondContact O-CB 3.28Å; H141-L145 VanDerWaalsContact O-CG 3.25Å; H141-L145 WeakPolarHBondContact O-CG 3.42Å; H141-L145 PolarHBondContact O-N 2.92Å; R142-L145 PolarHBondContact O-N 3.47Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 2.91Å; L145-P147 VanDerWaalsContact C-CD 3.44Å; L145-A148 VanDerWaalsContact O-CB 3.24Å; L145-A148 WeakPolarHBondContact O-CB 3.42Å; L145-A148 PolarHBondContact O-N 2.93Å; L145-A148 VanDerWaalsContact O-N 3.13Å; L145-F149 WeakPolarHBondContact O-CD2 3.34Å; L145-F290 HydrophobicContact CB-CE2 4.38Å; L145-F290 HydrophobicContact CD1-CE2 3.85Å; L145-F290 HydrophobicContact CD1-CZ 4.35Å; L145-F290 HydrophobicContact CD2-CD2 3.7Å; L145-F290 HydrophobicContact CD2-CE2 3.33Å; L145-F290 HydrophobicContact CD2-CZ 4.04Å; L145-F290 HydrophobicContact CG-CE2 4.02Å; L145-I293 HydrophobicContact CD2-CG2 4.5Å; L145-L294 HydrophobicContact CD2-CD2 3.67Å; L145-L294 HydrophobicContact CD2-CG 4.01Å; L145-E313 HydrophobicContact CD1-CG 4.33Å; L145-I457 HydrophobicContact CB-CD1 3.97Å
146	T	93	Very high	91.2	Very high	65 Å²	65	58 Å²	58	40%	0.399	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-56.2	-40.2	-178	-67.3	0	0	0	0	113.8	R142 A148 F149	R142-T146 PolarHBondContact NE-OG1 3.22Å; R142-T146 WeakPolarHBondContact O-CB 3.43Å; R142-T146 PolarHBondContact O-N 3.22Å; R142-T146 PolarHBondContact O-OG1 3.48Å; T146-A148 PolarHBondContact O-N 3.49Å; T146-F149 PolarHBondContact O-N 3.21Å
147	P	91.4	Very high	91.2	Very high	68 Å²	68	52.6 Å²	52.6	44%	0.442	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-55.2	-32.6	176.8	-28.3	36.2	0	0	0	114.2	R143 L144 L145 F149 H150 I153 I293	R143-P147 VanDerWaalsContact O-CD 3.27Å; R143-P147 WeakPolarHBondContact O-CD 3.48Å; L144-P147 WeakPolarHBondContact O-CD 3.5Å; L145-P147 VanDerWaalsContact C-CD 3.44Å; P147-F149 PolarHBondContact O-N 3Å; P147-F149 VanDerWaalsContact O-N 3.08Å; P147-H150 WeakPolarHBondContact O-CB 3.33Å; P147-H150 PolarHBondContact O-N 3.48Å; P147-H150 VanDerWaalsContact O-N 3.1Å; P147-I153 WeakPolarHBondContact O-CD1 3.23Å; P147-I153 WeakPolarHBondContact O-CG1 3.3Å; P147-I293 HydrophobicContact CB-CD1 4.31Å
148	A	92.4	Very high	91.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-54.8	-30.7	178	0	0	0	0	0	112.5	L145 T146 Y199 F290 I293	L145-A148 VanDerWaalsContact O-CB 3.24Å; L145-A148 WeakPolarHBondContact O-CB 3.42Å; L145-A148 PolarHBondContact O-N 2.93Å; L145-A148 VanDerWaalsContact O-N 3.13Å; T146-A148 PolarHBondContact O-N 3.49Å; A148-Y199 PolarHBondContact O-OH 3.47Å; A148-F290 HydrophobicContact CB-CB 4.13Å; A148-F290 HydrophobicContact CB-CD2 4.29Å; A148-I293 HydrophobicContact CB-CD1 3.84Å
149	F	93.2	Very high	91.3	Very high	15 Å²	15	48.1 Å²	48.1	7%	0.066	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-106.8	13.3	-173.7	-55.4	-84.6	0	0	0	113	L145 T146 P147 L154 Y199 F290 L317 I457 L461	L145-F149 WeakPolarHBondContact O-CD2 3.34Å; T146-F149 PolarHBondContact O-N 3.21Å; P147-F149 PolarHBondContact O-N 3Å; P147-F149 VanDerWaalsContact O-N 3.08Å; F149-L154 WeakPolarHBondContact O-CD1 3.5Å; F149-Y199 HydrophobicContact CD1-CE1 4.45Å; F149-Y199 HydrophobicContact CE1-CE1 4.23Å; F149-F290 HydrophobicContact CE2-CD2 4.21Å; F149-F290 HydrophobicContact CZ-CD2 4.27Å; F149-L317 HydrophobicContact CE1-CD1 4.28Å; F149-L317 HydrophobicContact CZ-CD1 3.81Å; F149-L317 HydrophobicContact CZ-CD2 4.28Å; F149-I457 HydrophobicContact CD2-CD1 3.73Å; F149-I457 HydrophobicContact CD2-CG1 3.61Å; F149-I457 HydrophobicContact CD2-CG2 4.37Å; F149-I457 HydrophobicContact CE2-CD1 3.76Å; F149-I457 HydrophobicContact CE2-CG1 3.96Å; F149-I457 HydrophobicContact CE2-CG2 4Å; F149-I457 HydrophobicContact CG-CG1 4.28Å; F149-I457 HydrophobicContact CZ-CG2 4.2Å; F149-L461 HydrophobicContact CD1-CD2 4.35Å; F149-L461 HydrophobicContact CE1-CD2 4.12Å
150	H	89.8	Confident	91.4	Very high	79 Å²	79	44.9 Å²	44.9	37%	0.366	23%	0.227	S	C	.	.	S	Bend	trans	-69.5	151.4	175.5	-168.8	-103.8	0	0	0	111.3	P147 D152 I153 L154	P147-H150 WeakPolarHBondContact O-CB 3.33Å; P147-H150 PolarHBondContact O-N 3.48Å; P147-H150 VanDerWaalsContact O-N 3.1Å; H150-D152 IonicContact CE1-OD2 3.59Å; H150-D152 PolarHBondContact CE1-OD2 3.34Å; H150-D152 PolarHBondContact ND1-N 3.4Å; H150-D152 IonicContact ND1-OD2 3.42Å; H150-D152 PolarHBondContact ND1-OD2 3.48Å; H150-D152 PolarHBondContact O-N 2.77Å; H150-I153 HydrophobicContact CB-CG1 4.45Å; H150-I153 PolarHBondContact O-N 3.15Å; H150-L154 WeakPolarHBondContact O-CG 3.33Å; H150-L154 PolarHBondContact O-N 3.4Å
151	Y	87.4	Confident	91.5	Very high	117 Å²	117	42.2 Å²	42.2	46%	0.459	22%	0.215	S	C	.	.	H	α-helix	trans	-60.1	-33	-176	62.9	-98.3	0	0	0	113	I153 L154 K155	Y151-I153 PolarHBondContact O-N 3.41Å; Y151-L154 PolarHBondContact O-N 3.37Å; Y151-L154 VanDerWaalsContact O-N 3.17Å; Y151-K155 HydrophobicContact CD2-CD 4.41Å; Y151-K155 WeakPolarHBondContact O-CB 3.46Å; Y151-K155 VanDerWaalsContact O-CG 3.27Å; Y151-K155 WeakPolarHBondContact O-CG 3.47Å; Y151-K155 PolarHBondContact O-N 3.09Å
152	D	86.8	Confident	91.7	Very high	53 Å²	53	42.2 Å²	42.2	28%	0.283	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-30.3	175.5	-69.5	-37.8	0	0	0	112.7	H150 P156	H150-D152 IonicContact CE1-OD2 3.59Å; H150-D152 PolarHBondContact CE1-OD2 3.34Å; H150-D152 PolarHBondContact ND1-N 3.4Å; H150-D152 IonicContact ND1-OD2 3.42Å; H150-D152 PolarHBondContact ND1-OD2 3.48Å; H150-D152 PolarHBondContact O-N 2.77Å; D152-P156 VanDerWaalsContact O-CD 3.28Å; D152-P156 WeakPolarHBondContact O-CD 3.13Å
153	I	86.9	Confident	91.8	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-81.9	-43	173.5	-44.9	-149.8	0	0	0	109.3	P147 H150 Y151 K155 P156 Y157 Y199 C287 L288	P147-I153 WeakPolarHBondContact O-CD1 3.23Å; P147-I153 WeakPolarHBondContact O-CG1 3.3Å; H150-I153 HydrophobicContact CB-CG1 4.45Å; H150-I153 PolarHBondContact O-N 3.15Å; Y151-I153 PolarHBondContact O-N 3.41Å; I153-K155 PolarHBondContact O-N 3.43Å; I153-P156 VanDerWaalsContact O-CD 3.3Å; I153-P156 WeakPolarHBondContact O-CD 3.39Å; I153-Y157 HydrophobicContact CG2-CD2 4.36Å; I153-Y157 HydrophobicContact CG2-CE2 3.99Å; I153-Y157 WeakPolarHBondContact O-CD2 3.42Å; I153-Y199 HydrophobicContact CG2-CE2 4.35Å; I153-C287 HydrophobicContact CD1-CB 3.76Å; I153-C287 HydrophobicContact CG1-CB 3.7Å; I153-L288 VanDerWaalsContact CD1-O 3.25Å; I153-L288 WeakPolarHBondContact CD1-O 3.08Å
154	L	90.6	Very high	92	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-34.1	-175.8	-62.5	171	0	0	0	113.8	F149 H150 Y151 Y157 V158 Y199 W362 H460 L461	F149-L154 WeakPolarHBondContact O-CD1 3.5Å; H150-L154 WeakPolarHBondContact O-CG 3.33Å; H150-L154 PolarHBondContact O-N 3.4Å; Y151-L154 PolarHBondContact O-N 3.37Å; Y151-L154 VanDerWaalsContact O-N 3.17Å; L154-Y157 PolarHBondContact O-N 3.08Å; L154-Y157 VanDerWaalsContact O-N 3.15Å; L154-V158 PolarHBondContact O-N 3.35Å; L154-Y199 HydrophobicContact CD2-CE2 3.83Å; L154-Y199 VanDerWaalsContact CD2-OH 3.26Å; L154-Y199 WeakPolarHBondContact CD2-OH 3.3Å; L154-W362 HydrophobicContact CB-CE3 4.36Å; L154-W362 HydrophobicContact CB-CH2 4.13Å; L154-W362 HydrophobicContact CB-CZ3 3.47Å; L154-W362 VanDerWaalsContact CB-CZ3 3.47Å; L154-W362 HydrophobicContact CD1-CH2 4.42Å; L154-W362 HydrophobicContact CD1-CZ3 4.4Å; L154-H460 HydrophobicContact CD1-CB 3.61Å; L154-L461 HydrophobicContact CD2-CB 3.83Å; L154-L461 HydrophobicContact CD2-CD1 3.89Å; L154-L461 HydrophobicContact CD2-CG 4.42Å
155	K	91	Very high	92.3	Very high	88 Å²	88	37.1 Å²	37.1	38%	0.383	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-49.4	-61	-179	-86.2	173.6	177	-172.6	0	113.9	Y151 I153 Y157 V158 W362	Y151-K155 HydrophobicContact CD2-CD 4.41Å; Y151-K155 WeakPolarHBondContact O-CB 3.46Å; Y151-K155 VanDerWaalsContact O-CG 3.27Å; Y151-K155 WeakPolarHBondContact O-CG 3.47Å; Y151-K155 PolarHBondContact O-N 3.09Å; I153-K155 PolarHBondContact O-N 3.43Å; K155-Y157 PolarHBondContact O-N 3.19Å; K155-V158 PolarHBondContact O-N 2.89Å; K155-W362 HydrophobicContact CB-CB 4.47Å; K155-W362 HydrophobicContact CB-CD2 4.3Å; K155-W362 HydrophobicContact CB-CE3 4.3Å; K155-W362 HydrophobicContact CB-CG 4.36Å; K155-W362 HydrophobicContact CD-CD2 4.48Å; K155-W362 HydrophobicContact CD-CG 4.4Å; K155-W362 HydrophobicContact CG-CB 4Å; K155-W362 HydrophobicContact CG-CD2 3.36Å; K155-W362 HydrophobicContact CG-CE3 3.74Å; K155-W362 HydrophobicContact CG-CG 3.44Å; K155-W362 VanDerWaalsContact CG-CG 3.44Å; K155-W362 HydrophobicContact CG-CZ2 4.42Å; K155-W362 HydrophobicContact CG-CZ3 4.36Å
156	P	87.1	Confident	92.5	Very high	88 Å²	88	40.3 Å²	40.3	57%	0.571	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-67.1	-17.5	-178.7	23.4	-32.2	0	0	0	113.7	D152 I153	D152-P156 VanDerWaalsContact O-CD 3.28Å; D152-P156 WeakPolarHBondContact O-CD 3.13Å; I153-P156 VanDerWaalsContact O-CD 3.3Å; I153-P156 WeakPolarHBondContact O-CD 3.39Å
157	Y	90.8	Very high	92.6	Very high	21 Å²	21	38.2 Å²	38.2	8%	0.082	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-87.8	-3.9	-177.6	-74	-101.2	0	0	0	113.7	I153 L154 K155 G159 I160 M161 Y199 K285 D289	I153-Y157 HydrophobicContact CG2-CD2 4.36Å; I153-Y157 HydrophobicContact CG2-CE2 3.99Å; I153-Y157 WeakPolarHBondContact O-CD2 3.42Å; L154-Y157 PolarHBondContact O-N 3.08Å; L154-Y157 VanDerWaalsContact O-N 3.15Å; K155-Y157 PolarHBondContact O-N 3.19Å; Y157-G159 PolarHBondContact O-N 2.94Å; Y157-I160 HydrophobicContact CD1-CB 4.36Å; Y157-I160 HydrophobicContact CD1-CD1 3.27Å; Y157-I160 HydrophobicContact CD1-CG1 4.36Å; Y157-I160 HydrophobicContact CE1-CD1 3.56Å; Y157-I160 HydrophobicContact CG-CD1 4.1Å; Y157-I160 WeakPolarHBondContact O-CB 3.4Å; Y157-I160 PolarHBondContact O-N 3.29Å; Y157-I160 VanDerWaalsContact O-N 3.1Å; Y157-M161 WeakPolarHBondContact O-CG 3.38Å; Y157-M161 PolarHBondContact O-N 2.83Å; Y157-Y199 AromaticContact CD1-CD2 3.41Å; Y157-Y199 HydrophobicContact CD1-CD2 3.41Å; Y157-Y199 VanDerWaalsContact CD1-CD2 3.41Å; Y157-Y199 HydrophobicContact CD1-CE2 4.31Å; Y157-Y199 HydrophobicContact CD1-CG 4.12Å; Y157-Y199 HydrophobicContact CD2-CD2 4.17Å; Y157-Y199 HydrophobicContact CD2-CE2 4.32Å; Y157-Y199 HydrophobicContact CE1-CD2 4.04Å; Y157-Y199 AromaticContact CG-CD2 3.48Å; Y157-Y199 HydrophobicContact CG-CD2 3.48Å; Y157-Y199 VanDerWaalsContact CG-CD2 3.48Å; Y157-Y199 HydrophobicContact CG-CE2 4.02Å; Y157-K285 PolarHBondContact OH-NZ 2.96Å; Y157-D289 PolarHBondContact OH-OD1 2.97Å; Y157-D289 PolarHBondContact OH-OD2 3.45Å
158	V	95.1	Very high	92.9	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-37	171.9	177.2	0	0	0	0	111	L154 K155 M161 A162 I360 W362 L365 V468	L154-V158 PolarHBondContact O-N 3.35Å; K155-V158 PolarHBondContact O-N 2.89Å; V158-M161 WeakPolarHBondContact O-CB 3.43Å; V158-M161 PolarHBondContact O-N 2.98Å; V158-A162 WeakPolarHBondContact O-CB 3.17Å; V158-A162 PolarHBondContact O-N 3.39Å; V158-I360 HydrophobicContact CG1-CG2 4.36Å; V158-W362 HydrophobicContact CG2-CB 4.23Å; V158-W362 HydrophobicContact CG2-CE3 4Å; V158-L365 HydrophobicContact CG1-CD1 4.42Å; V158-L365 HydrophobicContact CG2-CD1 3.87Å; V158-V468 HydrophobicContact CG1-CG2 4.06Å
159	G	93.4	Very high	93.1	Very high	34 Å²	34	35 Å²	35	35%	0.351	18%	0.182	S	C	.	.	H	α-helix	trans	-60.5	-44.9	173.2	0	0	0	0	0	112.7	Y157 M161 A162 D163	Y157-G159 PolarHBondContact O-N 2.94Å; G159-M161 VanDerWaalsContact C-N 3.32Å; G159-M161 PolarHBondContact O-N 3.14Å; G159-A162 WeakPolarHBondContact O-CA 3.45Å; G159-A162 WeakPolarHBondContact O-CB 3.19Å; G159-A162 PolarHBondContact O-N 3.1Å; G159-A162 VanDerWaalsContact O-N 3.1Å; G159-D163 VanDerWaalsContact O-CG 3.22Å; G159-D163 PolarHBondContact O-N 3.02Å
160	I	93.1	Very high	93.1	Very high	46 Å²	46	39.1 Å²	39.1	24%	0.236	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-40.4	176.7	-74.1	164.2	0	0	0	111.7	Y157 A162 D163 S164 K198	Y157-I160 HydrophobicContact CD1-CB 4.36Å; Y157-I160 HydrophobicContact CD1-CD1 3.27Å; Y157-I160 HydrophobicContact CD1-CG1 4.36Å; Y157-I160 HydrophobicContact CE1-CD1 3.56Å; Y157-I160 HydrophobicContact CG-CD1 4.1Å; Y157-I160 WeakPolarHBondContact O-CB 3.4Å; Y157-I160 PolarHBondContact O-N 3.29Å; Y157-I160 VanDerWaalsContact O-N 3.1Å; I160-A162 VanDerWaalsContact C-N 3.32Å; I160-D163 PolarHBondContact O-N 3.38Å; I160-S164 PolarHBondContact O-N 3.32Å; I160-S164 VanDerWaalsContact O-N 3.08Å; I160-S164 PolarHBondContact O-OG 3.46Å; I160-K198 HydrophobicContact CG2-CB 3.47Å; I160-K198 VanDerWaalsContact CG2-CB 3.47Å; I160-K198 HydrophobicContact CG2-CD 3.99Å; I160-K198 HydrophobicContact CG2-CG 4.38Å
161	M	95.8	Very high	93.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-43.6	174.8	-59.1	170.9	-160.8	0	0	110.6	Y157 V158 G159 S164 V165 T195 L461 N464 V465 V468	Y157-M161 WeakPolarHBondContact O-CG 3.38Å; Y157-M161 PolarHBondContact O-N 2.83Å; V158-M161 WeakPolarHBondContact O-CB 3.43Å; V158-M161 PolarHBondContact O-N 2.98Å; G159-M161 VanDerWaalsContact C-N 3.32Å; G159-M161 PolarHBondContact O-N 3.14Å; M161-S164 PolarHBondContact O-N 3.15Å; M161-V165 VanDerWaalsContact O-CG2 3.3Å; M161-V165 WeakPolarHBondContact O-CG2 3.24Å; M161-V165 PolarHBondContact O-N 3.48Å; M161-T195 HydrophobicContact CB-CG2 4.4Å; M161-T195 HydrophobicContact CG-CG2 3.88Å; M161-L461 HydrophobicContact CE-CD1 3.37Å; M161-N464 HydrophobicContact SD-CB 4.05Å; M161-V465 HydrophobicContact CB-CG2 4.47Å; M161-V465 HydrophobicContact CE-CG2 4.23Å; M161-V465 HydrophobicContact CG-CG2 3.78Å; M161-V465 HydrophobicContact SD-CB 4.45Å; M161-V465 HydrophobicContact SD-CG2 3.5Å; M161-V465 VanDerWaalsContact SD-CG2 3.5Å; M161-V468 HydrophobicContact CB-CB 4.47Å; M161-V468 HydrophobicContact CB-CG1 4.19Å; M161-V468 HydrophobicContact CB-CG2 4.36Å
162	A	96.8	Very high	93.7	Very high	6 Å²	6	33 Å²	33	5%	0.05	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-47.4	177.5	0	0	0	0	0	111.3	V158 G159 I160 S164 V165 Q166 I360 V468 L472	V158-A162 WeakPolarHBondContact O-CB 3.17Å; V158-A162 PolarHBondContact O-N 3.39Å; G159-A162 WeakPolarHBondContact O-CA 3.45Å; G159-A162 WeakPolarHBondContact O-CB 3.19Å; G159-A162 PolarHBondContact O-N 3.1Å; G159-A162 VanDerWaalsContact O-N 3.1Å; I160-A162 VanDerWaalsContact C-N 3.32Å; A162-S164 PolarHBondContact O-N 3.48Å; A162-V165 CarbonylContact O-C 3.33Å; A162-V165 PolarHBondContact O-N 3.03Å; A162-V165 VanDerWaalsContact O-N 3.14Å; A162-Q166 VanDerWaalsContact O-CG 3.31Å; A162-Q166 WeakPolarHBondContact O-CG 3.39Å; A162-Q166 PolarHBondContact O-N 2.89Å; A162-I360 HydrophobicContact CB-CG2 3.63Å; A162-V468 HydrophobicContact CB-CG1 4.19Å; A162-L472 HydrophobicContact CB-CD1 3.87Å
163	D	95.8	Very high	93.9	Very high	85 Å²	85	32.8 Å²	32.8	46%	0.455	17%	0.173	S	C	.	.	H	α-helix	trans	-57.8	-46.6	178.4	-64.3	-17.9	0	0	0	111.6	G159 I160 V165 Q166 V167	G159-D163 VanDerWaalsContact O-CG 3.22Å; G159-D163 PolarHBondContact O-N 3.02Å; I160-D163 PolarHBondContact O-N 3.38Å; D163-V165 VanDerWaalsContact C-N 3.34Å; D163-V165 PolarHBondContact O-N 3.1Å; D163-Q166 PolarHBondContact O-N 3.3Å; D163-V167 WeakPolarHBondContact O-CG2 3.39Å; D163-V167 PolarHBondContact O-N 2.8Å
164	S	96.9	Very high	94	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-39.6	177.1	-74	0	0	0	0	112.1	I160 M161 A162 M168 M191 D194 T195 K198 Q208	I160-S164 PolarHBondContact O-N 3.32Å; I160-S164 VanDerWaalsContact O-N 3.08Å; I160-S164 PolarHBondContact O-OG 3.46Å; M161-S164 PolarHBondContact O-N 3.15Å; A162-S164 PolarHBondContact O-N 3.48Å; S164-M168 PolarHBondContact O-N 3.39Å; S164-M191 WeakPolarHBondContact O-CG 3.25Å; S164-D194 WeakPolarHBondContact CB-OD2 3.45Å; S164-D194 PolarHBondContact OG-OD2 3.08Å; S164-T195 WeakPolarHBondContact CB-OG1 3.49Å; S164-K198 PolarHBondContact OG-NZ 3.36Å; S164-Q208 PolarHBondContact O-NE2 3.46Å
165	V	97.7	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-42.2	174.5	170.8	0	0	0	0	111.3	M161 A162 D163 V167 M168 L169 M191 V468 A469 L472	M161-V165 VanDerWaalsContact O-CG2 3.3Å; M161-V165 WeakPolarHBondContact O-CG2 3.24Å; M161-V165 PolarHBondContact O-N 3.48Å; A162-V165 CarbonylContact O-C 3.33Å; A162-V165 PolarHBondContact O-N 3.03Å; A162-V165 VanDerWaalsContact O-N 3.14Å; D163-V165 VanDerWaalsContact C-N 3.34Å; D163-V165 PolarHBondContact O-N 3.1Å; V165-V167 PolarHBondContact O-N 2.88Å; V165-M168 WeakPolarHBondContact O-CB 3.45Å; V165-M168 PolarHBondContact O-N 2.93Å; V165-M168 VanDerWaalsContact O-N 3.11Å; V165-L169 HydrophobicContact CG1-CD1 3.77Å; V165-L169 HydrophobicContact CG1-CG 4.11Å; V165-L169 WeakPolarHBondContact O-CG 3.39Å; V165-L169 PolarHBondContact O-N 3.17Å; V165-M191 HydrophobicContact CG2-CE 4.09Å; V165-M191 HydrophobicContact CG2-CG 4.32Å; V165-M191 HydrophobicContact CG2-SD 3.76Å; V165-V468 HydrophobicContact CG2-CG1 4.25Å; V165-A469 HydrophobicContact CG2-CB 4.16Å; V165-L472 HydrophobicContact CB-CD1 4.09Å; V165-L472 HydrophobicContact CG1-CB 3.83Å; V165-L472 HydrophobicContact CG1-CD1 3.89Å; V165-L472 HydrophobicContact CG1-CG 4.45Å
166	Q	96.8	Very high	93.3	Very high	68 Å²	68	38.7 Å²	38.7	32%	0.318	21%	0.206	S	C	.	.	H	α-helix	trans	-60.5	-43.7	178.8	-72.4	-176.5	17.6	0	0	112.1	A162 D163 M168 L169 E170 L472	A162-Q166 VanDerWaalsContact O-CG 3.31Å; A162-Q166 WeakPolarHBondContact O-CG 3.39Å; A162-Q166 PolarHBondContact O-N 2.89Å; D163-Q166 PolarHBondContact O-N 3.3Å; Q166-M168 VanDerWaalsContact C-N 3.26Å; Q166-M168 PolarHBondContact O-N 3.06Å; Q166-L169 PolarHBondContact O-N 3Å; Q166-L169 VanDerWaalsContact O-N 3.11Å; Q166-E170 WeakPolarHBondContact O-CG 3.41Å; Q166-E170 PolarHBondContact O-N 3.29Å; Q166-L472 HydrophobicContact CG-CD1 4.41Å
167	V	96.2	Very high	92.7	Very high	22 Å²	22	39.7 Å²	39.7	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-37.9	175	172.8	0	0	0	0	111.8	D163 V165 K171 Q208 L209	D163-V167 WeakPolarHBondContact O-CG2 3.39Å; D163-V167 PolarHBondContact O-N 2.8Å; V165-V167 PolarHBondContact O-N 2.88Å; V167-K171 WeakPolarHBondContact O-CG 3.48Å; V167-K171 PolarHBondContact O-N 2.87Å; V167-Q208 HydrophobicContact CG1-CB 3.76Å; V167-Q208 HydrophobicContact CG1-CG 4.39Å; V167-L209 HydrophobicContact CG1-CD2 4.02Å; V167-L209 HydrophobicContact CG1-CG 4.32Å
168	M	97	Very high	92	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-67.2	-45.4	175.2	-175.1	-172.3	74.4	0	0	111	S164 V165 Q166 K171 W172 P187 I188 M191	S164-M168 PolarHBondContact O-N 3.39Å; V165-M168 WeakPolarHBondContact O-CB 3.45Å; V165-M168 PolarHBondContact O-N 2.93Å; V165-M168 VanDerWaalsContact O-N 3.11Å; Q166-M168 VanDerWaalsContact C-N 3.26Å; Q166-M168 PolarHBondContact O-N 3.06Å; M168-K171 WeakPolarHBondContact O-CB 3.09Å; M168-K171 PolarHBondContact O-N 2.63Å; M168-W172 HydrophobicContact CE-CD2 4.49Å; M168-W172 HydrophobicContact CE-CE3 4.48Å; M168-W172 HydrophobicContact CE-CH2 3.9Å; M168-W172 HydrophobicContact CE-CZ2 3.87Å; M168-W172 HydrophobicContact CE-CZ3 4.2Å; M168-W172 HydrophobicContact CG-CD2 4.5Å; M168-W172 HydrophobicContact CG-CZ2 4.32Å; M168-W172 VanDerWaalsContact O-CD1 3.29Å; M168-W172 PolarHBondContact O-N 3.32Å; M168-W172 HydrophobicContact SD-CH2 4.45Å; M168-W172 HydrophobicContact SD-CZ2 3.87Å; M168-P187 HydrophobicContact CG-CB 4.47Å; M168-I188 HydrophobicContact CE-CG1 4.4Å; M168-I188 HydrophobicContact SD-CB 4.44Å; M168-I188 HydrophobicContact SD-CG1 3.82Å; M168-M191 HydrophobicContact CB-CB 4.06Å; M168-M191 HydrophobicContact CB-CG 4.04Å; M168-M191 HydrophobicContact CG-CB 4.26Å; M168-M191 HydrophobicContact SD-CB 3.75Å; M168-M191 HydrophobicContact SD-CE 4.4Å; M168-M191 HydrophobicContact SD-CG 4.06Å
169	L	96.4	Very high	91	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-38.4	-179	-65.6	175.4	0	0	0	112.3	V165 Q166 K171 W172 E173 L472 T473 R476 F477	V165-L169 HydrophobicContact CG1-CD1 3.77Å; V165-L169 HydrophobicContact CG1-CG 4.11Å; V165-L169 WeakPolarHBondContact O-CG 3.39Å; V165-L169 PolarHBondContact O-N 3.17Å; Q166-L169 PolarHBondContact O-N 3Å; Q166-L169 VanDerWaalsContact O-N 3.11Å; L169-K171 VanDerWaalsContact C-N 3.3Å; L169-K171 PolarHBondContact O-N 3.47Å; L169-W172 HydrophobicContact CD2-CE3 4.02Å; L169-W172 CarbonylContact O-C 3.36Å; L169-W172 WeakPolarHBondContact O-CA 3.49Å; L169-W172 WeakPolarHBondContact O-CB 3.14Å; L169-W172 PolarHBondContact O-N 3.39Å; L169-W172 VanDerWaalsContact O-N 3.08Å; L169-E173 WeakPolarHBondContact O-CG 3.33Å; L169-E173 PolarHBondContact O-N 2.75Å; L169-L472 HydrophobicContact CD1-CB 3.88Å; L169-L472 WeakPolarHBondContact CD1-O 3.41Å; L169-T473 HydrophobicContact CD2-CG2 4.15Å; L169-R476 HydrophobicContact CD1-CG 4.49Å; L169-F477 HydrophobicContact CB-CE2 4.38Å; L169-F477 HydrophobicContact CD2-CD2 3.99Å; L169-F477 HydrophobicContact CD2-CE2 3.82Å
170	E	94.8	Very high	90.5	Very high	100 Å²	100	53.6 Å²	53.6	47%	0.467	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-41.4	173.8	-75	167.9	-170.4	0	0	112.1	Q166 E173 Q174	Q166-E170 WeakPolarHBondContact O-CG 3.41Å; Q166-E170 PolarHBondContact O-N 3.29Å; E170-E173 PolarHBondContact O-N 2.63Å; E170-Q174 PolarHBondContact O-N 2.86Å
171	K	93.3	Very high	90.4	Very high	66 Å²	66	52.9 Å²	52.9	29%	0.287	28%	0.275	S	S	.	.	H	α-helix	trans	-67.6	-38.6	173.8	-67.3	173.2	176.3	-175.6	0	112	V167 M168 L169 E173 Q174 I175 Q208	V167-K171 WeakPolarHBondContact O-CG 3.48Å; V167-K171 PolarHBondContact O-N 2.87Å; M168-K171 WeakPolarHBondContact O-CB 3.09Å; M168-K171 PolarHBondContact O-N 2.63Å; L169-K171 VanDerWaalsContact C-N 3.3Å; L169-K171 PolarHBondContact O-N 3.47Å; K171-E173 VanDerWaalsContact C-N 3.31Å; K171-Q174 PolarHBondContact O-N 2.97Å; K171-I175 WeakPolarHBondContact O-CG1 3Å; K171-I175 PolarHBondContact O-N 3.36Å; K171-Q208 PolarHBondContact NZ-O 2.92Å
172	W	94.7	Very high	90.3	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.011	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-36	176.1	-73.4	12.7	0	0	0	111.5	M168 L169 Q174 I175 A176 L182 I184 P187 I188 F333 T473 F477 L505	M168-W172 HydrophobicContact CE-CD2 4.49Å; M168-W172 HydrophobicContact CE-CE3 4.48Å; M168-W172 HydrophobicContact CE-CH2 3.9Å; M168-W172 HydrophobicContact CE-CZ2 3.87Å; M168-W172 HydrophobicContact CE-CZ3 4.2Å; M168-W172 HydrophobicContact CG-CD2 4.5Å; M168-W172 HydrophobicContact CG-CZ2 4.32Å; M168-W172 VanDerWaalsContact O-CD1 3.29Å; M168-W172 PolarHBondContact O-N 3.32Å; M168-W172 HydrophobicContact SD-CH2 4.45Å; M168-W172 HydrophobicContact SD-CZ2 3.87Å; L169-W172 HydrophobicContact CD2-CE3 4.02Å; L169-W172 CarbonylContact O-C 3.36Å; L169-W172 WeakPolarHBondContact O-CA 3.49Å; L169-W172 WeakPolarHBondContact O-CB 3.14Å; L169-W172 PolarHBondContact O-N 3.39Å; L169-W172 VanDerWaalsContact O-N 3.08Å; W172-Q174 VanDerWaalsContact C-N 3.31Å; W172-Q174 PolarHBondContact O-N 3.33Å; W172-I175 PolarHBondContact O-N 3.38Å; W172-I175 VanDerWaalsContact O-N 3.15Å; W172-A176 VanDerWaalsContact O-CB 3.28Å; W172-A176 WeakPolarHBondContact O-CB 3.3Å; W172-A176 PolarHBondContact O-N 2.93Å; W172-L182 HydrophobicContact CD2-CD2 3.9Å; W172-L182 HydrophobicContact CG-CD2 3.95Å; W172-L182 HydrophobicContact CZ2-CD2 4.09Å; W172-I184 HydrophobicContact CH2-CB 4.26Å; W172-I184 HydrophobicContact CH2-CG2 4.17Å; W172-I184 HydrophobicContact CZ2-CB 4.19Å; W172-I184 HydrophobicContact CZ2-CG2 4.26Å; W172-P187 HydrophobicContact CZ2-CB 4.36Å; W172-I188 HydrophobicContact CH2-CD1 4.25Å; W172-I188 HydrophobicContact CH2-CG1 4.25Å; W172-I188 HydrophobicContact CZ2-CD1 4.4Å; W172-I188 HydrophobicContact CZ2-CG1 4.04Å; W172-F333 AromaticContact CH2-CD2 3.99Å; W172-F333 HydrophobicContact CH2-CD2 3.99Å; W172-F333 AromaticContact CH2-CE2 3.77Å; W172-F333 HydrophobicContact CH2-CE2 3.77Å; W172-F333 HydrophobicContact CZ3-CD2 4.39Å; W172-F333 HydrophobicContact CZ3-CE2 4.06Å; W172-T473 HydrophobicContact CZ3-CG2 4.15Å; W172-F477 HydrophobicContact CB-CE2 4.06Å; W172-F477 HydrophobicContact CB-CZ 3.92Å; W172-L505 HydrophobicContact CB-CD1 3.81Å; W172-L505 HydrophobicContact CD2-CD1 3.69Å; W172-L505 HydrophobicContact CE3-CD1 3.5Å; W172-L505 HydrophobicContact CE3-CD2 4.13Å; W172-L505 HydrophobicContact CE3-CG 4.49Å; W172-L505 HydrophobicContact CG-CD1 3.86Å; W172-L505 HydrophobicContact CZ3-CD1 4.24Å; W172-L505 HydrophobicContact CZ3-CD2 4.12Å
173	E	91.9	Very high	90.3	Very high	48 Å²	48	55.8 Å²	55.8	22%	0.224	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-39.2	175.4	-73.8	-176.9	-136.2	0	0	111.6	L169 E170 K171 I175 C177 R476 F477 K507	L169-E173 WeakPolarHBondContact O-CG 3.33Å; L169-E173 PolarHBondContact O-N 2.75Å; E170-E173 PolarHBondContact O-N 2.63Å; K171-E173 VanDerWaalsContact C-N 3.31Å; E173-I175 VanDerWaalsContact C-N 3.28Å; E173-I175 PolarHBondContact O-N 2.83Å; E173-C177 PolarHBondContact O-SG 3.41Å; E173-C177 VanDerWaalsContact O-SG 3.35Å; E173-R476 WeakPolarHBondContact OE1-CD 3.49Å; E173-R476 IonicContact OE1-CZ 2.78Å; E173-R476 IonicContact OE1-NE 3.26Å; E173-R476 IonicContact OE1-NH1 3.42Å; E173-R476 PolarHBondContact OE1-NH1 2.9Å; E173-F477 HydrophobicContact CB-CZ 4.25Å; E173-F477 HydrophobicContact CG-CE1 4.15Å; E173-F477 HydrophobicContact CG-CE2 4.18Å; E173-F477 HydrophobicContact CG-CZ 3.42Å; E173-F477 VanDerWaalsContact CG-CZ 3.42Å; E173-K507 IonicContact OE2-NZ 3.8Å; E173-K507 PolarHBondContact OE2-NZ 3.25Å
174	Q	88.5	Confident	90.4	Very high	145 Å²	145	51.7 Å²	51.7	68%	0.678	27%	0.266	S	S	*	.	H	α-helix	trans	-64.8	-31.6	175.7	-66.4	174.6	-5.1	0	0	112.9	E170 K171 W172	E170-Q174 PolarHBondContact O-N 2.86Å; K171-Q174 PolarHBondContact O-N 2.97Å; W172-Q174 VanDerWaalsContact C-N 3.31Å; W172-Q174 PolarHBondContact O-N 3.33Å
175	I	85.9	Confident	90.3	Very high	57 Å²	57	52.9 Å²	52.9	29%	0.292	27%	0.271	S	S	.	.	H	α-helix	trans	-85	-39.1	179.6	-61.7	166	0	0	0	111.2	K171 W172 E173 C177 Q178 L182	K171-I175 WeakPolarHBondContact O-CG1 3Å; K171-I175 PolarHBondContact O-N 3.36Å; W172-I175 PolarHBondContact O-N 3.38Å; W172-I175 VanDerWaalsContact O-N 3.15Å; E173-I175 VanDerWaalsContact C-N 3.28Å; E173-I175 PolarHBondContact O-N 2.83Å; I175-C177 PolarHBondContact O-N 3.14Å; I175-C177 VanDerWaalsContact O-N 3.17Å; I175-Q178 VanDerWaalsContact O-CB 3.32Å; I175-Q178 WeakPolarHBondContact O-CB 3.25Å; I175-Q178 PolarHBondContact O-N 3.29Å; I175-L182 HydrophobicContact CD1-CD1 4.21Å
176	A	80.8	Confident	90.1	Very high	18 Å²	18	56.6 Å²	56.6	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-28.5	-176.7	0	0	0	0	0	112.6	W172 Q178 D179 F477 L505	W172-A176 VanDerWaalsContact O-CB 3.28Å; W172-A176 WeakPolarHBondContact O-CB 3.3Å; W172-A176 PolarHBondContact O-N 2.93Å; A176-Q178 PolarHBondContact O-N 2.86Å; A176-D179 PolarHBondContact O-N 2.99Å; A176-F477 HydrophobicContact CB-CE1 3.84Å; A176-L505 HydrophobicContact CB-CB 4.23Å
177	C	74	Confident	90	Very high	109 Å²	109	54.7 Å²	54.7	74%	0.736	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-12.7	172.4	-66.2	0	0	0	0	114.3	E173 I175	E173-C177 PolarHBondContact O-SG 3.41Å; E173-C177 VanDerWaalsContact O-SG 3.35Å; I175-C177 PolarHBondContact O-N 3.14Å; I175-C177 VanDerWaalsContact O-N 3.17Å
178	Q	77.5	Confident	90.1	Very high	125 Å²	125	53.6 Å²	53.6	58%	0.584	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-2	-176.3	-55	179.9	-0.9	0	0	113.4	I175 A176 I180	I175-Q178 VanDerWaalsContact O-CB 3.32Å; I175-Q178 WeakPolarHBondContact O-CB 3.25Å; I175-Q178 PolarHBondContact O-N 3.29Å; A176-Q178 PolarHBondContact O-N 2.86Å; Q178-I180 HydrophobicContact CB-CD1 3.66Å; Q178-I180 HydrophobicContact CB-CG1 3.74Å; Q178-I180 WeakPolarHBondContact O-CG1 3.42Å; Q178-I180 PolarHBondContact O-N 3.07Å; Q178-I180 VanDerWaalsContact OE1-CD1 3.29Å
179	D	74.5	Confident	90.1	Very high	139 Å²	139	53.9 Å²	53.9	74%	0.743	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	34.4	-173.7	-160.4	23.1	0	0	0	113.6	A176	A176-D179 PolarHBondContact O-N 2.99Å
180	I	83.1	Confident	90	Very high	85 Å²	85	54.9 Å²	54.9	44%	0.436	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-98.3	138.6	-179.1	-59.8	176.2	0	0	0	110.1	Q178 L182	Q178-I180 HydrophobicContact CB-CD1 3.66Å; Q178-I180 HydrophobicContact CB-CG1 3.74Å; Q178-I180 WeakPolarHBondContact O-CG1 3.42Å; Q178-I180 PolarHBondContact O-N 3.07Å; Q178-I180 VanDerWaalsContact OE1-CD1 3.29Å; I180-L182 PolarHBondContact O-N 3.44Å
181	T	90.3	Very high	90.1	Very high	32 Å²	32	50.1 Å²	50.1	20%	0.196	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-61.4	126	165.6	51.3	0	0	0	0	112	D482 R485 H504	T181-D482 HydrophobicContact CG2-CB 4.2Å; T181-D482 WeakPolarHBondContact CG2-OD2 3.33Å; T181-R485 PolarHBondContact OG1-NH2 3.5Å; T181-H504 WeakPolarHBondContact CG2-CE1 3.15Å; T181-H504 WeakPolarHBondContact CG2-NE2 3.31Å
182	L	94.1	Very high	90.3	Very high	22 Å²	22	47.2 Å²	47.2	12%	0.115	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.7	179.8	-178.6	64.9	0	0	0	111.4	W172 I175 I180 I184 P187 Y502 L503 L505	W172-L182 HydrophobicContact CD2-CD2 3.9Å; W172-L182 HydrophobicContact CG-CD2 3.95Å; W172-L182 HydrophobicContact CZ2-CD2 4.09Å; I175-L182 HydrophobicContact CD1-CD1 4.21Å; I180-L182 PolarHBondContact O-N 3.44Å; L182-I184 HydrophobicContact CD2-CG2 4.39Å; L182-I184 HydrophobicContact CG-CG2 4.33Å; L182-I184 PolarHBondContact O-N 2.9Å; L182-P187 HydrophobicContact CD1-CG 4.48Å; L182-Y502 VanDerWaalsContact O-CA 3.31Å; L182-Y502 WeakPolarHBondContact O-CA 3.32Å; L182-L503 PolarHBondContact N-O 3.03Å; L182-L503 PolarHBondContact O-N 3.43Å; L182-L505 HydrophobicContact CD2-CD1 3.77Å
183	E	95.9	Very high	90.4	Very high	45 Å²	45	47.1 Å²	47.1	21%	0.21	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	109.7	162.8	-157.5	-66.2	127.7	0	0	108.1	F185 H186 P187 I501 Y502	E183-F185 WeakPolarHBondContact OE1-CB 3.27Å; E183-F185 PolarHBondContact OE1-N 2.59Å; E183-F185 PolarHBondContact OE2-N 3.42Å; E183-H186 PolarHBondContact OE2-N 3.13Å; E183-P187 WeakPolarHBondContact O-CD 2.96Å; E183-I501 WeakPolarHBondContact CA-O 3.15Å; E183-I501 PolarHBondContact OE1-N 3.41Å; E183-I501 VanDerWaalsContact OE1-N 3.08Å; E183-Y502 HydrophobicContact CB-CD1 3.99Å; E183-Y502 HydrophobicContact CB-CE1 3.54Å; E183-Y502 HydrophobicContact CB-CE2 4.35Å; E183-Y502 HydrophobicContact CG-CD2 4.43Å; E183-Y502 HydrophobicContact CG-CE1 4.01Å; E183-Y502 HydrophobicContact CG-CE2 3.89Å
184	I	97.2	Very high	90.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.			trans	-85.7	-21.2	-167.4	68.5	176.8	0	0	0	113.4	W172 L182 H186 P187 I188 F333 I501 L503	W172-I184 HydrophobicContact CH2-CB 4.26Å; W172-I184 HydrophobicContact CH2-CG2 4.17Å; W172-I184 HydrophobicContact CZ2-CB 4.19Å; W172-I184 HydrophobicContact CZ2-CG2 4.26Å; L182-I184 HydrophobicContact CD2-CG2 4.39Å; L182-I184 HydrophobicContact CG-CG2 4.33Å; L182-I184 PolarHBondContact O-N 2.9Å; I184-H186 PolarHBondContact O-N 3.25Å; I184-P187 WeakPolarHBondContact O-CD 3.42Å; I184-I188 HydrophobicContact CB-CD1 3.83Å; I184-I188 HydrophobicContact CD1-CD1 3.97Å; I184-I188 HydrophobicContact CG1-CD1 3.87Å; I184-I188 WeakPolarHBondContact O-CB 3.32Å; I184-I188 VanDerWaalsContact O-CD1 3.3Å; I184-I188 WeakPolarHBondContact O-CD1 3.31Å; I184-I188 WeakPolarHBondContact O-CG1 3.14Å; I184-I188 PolarHBondContact O-N 2.98Å; I184-I188 VanDerWaalsContact O-N 3.08Å; I184-F333 HydrophobicContact CD1-CB 3.88Å; I184-F333 HydrophobicContact CD1-CD2 4.25Å; I184-I501 HydrophobicContact CD1-CB 4.37Å; I184-I501 HydrophobicContact CD1-CG2 3.67Å; I184-I501 HydrophobicContact CG1-CB 4.03Å; I184-I501 HydrophobicContact CG1-CG2 3.86Å; I184-I501 PolarHBondContact N-O 3.09Å; I184-L503 HydrophobicContact CD1-CD1 3.66Å; I184-L503 HydrophobicContact CD1-CG 4.14Å; I184-L503 HydrophobicContact CG2-CB 4.22Å; I184-L503 HydrophobicContact CG2-CD1 4.3Å; I184-L503 HydrophobicContact CG2-CG 4.27Å
185	F	96	Very high	90.9	Very high	25 Å²	25	38.1 Å²	38.1	11%	0.11	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-44.2	-171.7	-173.8	-85.4	0	0	0	111.6	E183 I188 S189 K496	E183-F185 WeakPolarHBondContact OE1-CB 3.27Å; E183-F185 PolarHBondContact OE1-N 2.59Å; E183-F185 PolarHBondContact OE2-N 3.42Å; F185-I188 PolarHBondContact O-N 3.12Å; F185-S189 VanDerWaalsContact O-CB 3.24Å; F185-S189 WeakPolarHBondContact O-CB 3.47Å; F185-S189 PolarHBondContact O-N 3.3Å; F185-K496 HydrophobicContact CE1-CD 4.11Å; F185-K496 HydrophobicContact CE2-CD 4.36Å; F185-K496 HydrophobicContact CE2-CG 4.25Å; F185-K496 HydrophobicContact CZ-CD 3.84Å; F185-K496 VanDerWaalsContact CZ-CE 3.49Å; F185-K496 HydrophobicContact CZ-CG 4.18Å
186	H	93.8	Very high	91.4	Very high	77 Å²	77	35.5 Å²	35.5	36%	0.356	19%	0.193	S	C	.	.	H	α-helix	trans	-64.4	-50.2	-179.4	-179.2	67.7	0	0	0	113.4	E183 I184 I188 S189 L190 Q214	E183-H186 PolarHBondContact OE2-N 3.13Å; I184-H186 PolarHBondContact O-N 3.25Å; H186-I188 VanDerWaalsContact C-N 3.35Å; H186-I188 PolarHBondContact O-N 3.12Å; H186-S189 WeakPolarHBondContact O-CB 3Å; H186-S189 PolarHBondContact O-N 3.34Å; H186-L190 PolarHBondContact O-N 2.97Å; H186-Q214 PolarHBondContact CE1-NE2 3.04Å; H186-Q214 VanDerWaalsContact CE1-NE2 3.29Å; H186-Q214 PolarHBondContact NE2-NE2 2.97Å
187	P	94.8	Very high	92	Very high	28 Å²	28	34.8 Å²	34.8	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-57.4	-42.6	173.5	-25.6	33.4	0	0	0	113.8	M168 W172 L182 E183 I184 S189 L190 M191	M168-P187 HydrophobicContact CG-CB 4.47Å; W172-P187 HydrophobicContact CZ2-CB 4.36Å; L182-P187 HydrophobicContact CD1-CG 4.48Å; E183-P187 WeakPolarHBondContact O-CD 2.96Å; I184-P187 WeakPolarHBondContact O-CD 3.42Å; P187-S189 VanDerWaalsContact C-N 3.34Å; P187-S189 PolarHBondContact O-N 3.02Å; P187-L190 PolarHBondContact O-N 3.44Å; P187-M191 PolarHBondContact O-N 2.66Å
188	I	97.6	Very high	92.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.1	-39.8	178	-69	166.8	0	0	0	110.8	M168 W172 I184 F185 H186 L190 M191 M192 A326 I329 S330 F333	M168-I188 HydrophobicContact CE-CG1 4.4Å; M168-I188 HydrophobicContact SD-CB 4.44Å; M168-I188 HydrophobicContact SD-CG1 3.82Å; W172-I188 HydrophobicContact CH2-CD1 4.25Å; W172-I188 HydrophobicContact CH2-CG1 4.25Å; W172-I188 HydrophobicContact CZ2-CD1 4.4Å; W172-I188 HydrophobicContact CZ2-CG1 4.04Å; I184-I188 HydrophobicContact CB-CD1 3.83Å; I184-I188 HydrophobicContact CD1-CD1 3.97Å; I184-I188 HydrophobicContact CG1-CD1 3.87Å; I184-I188 WeakPolarHBondContact O-CB 3.32Å; I184-I188 VanDerWaalsContact O-CD1 3.3Å; I184-I188 WeakPolarHBondContact O-CD1 3.31Å; I184-I188 WeakPolarHBondContact O-CG1 3.14Å; I184-I188 PolarHBondContact O-N 2.98Å; I184-I188 VanDerWaalsContact O-N 3.08Å; F185-I188 PolarHBondContact O-N 3.12Å; H186-I188 VanDerWaalsContact C-N 3.35Å; H186-I188 PolarHBondContact O-N 3.12Å; I188-L190 VanDerWaalsContact C-N 3.33Å; I188-L190 PolarHBondContact O-N 2.83Å; I188-M191 HydrophobicContact CG2-CE 4.32Å; I188-M191 PolarHBondContact O-N 3.22Å; I188-M192 HydrophobicContact CG2-CG 4.45Å; I188-M192 WeakPolarHBondContact O-CB 3.36Å; I188-M192 WeakPolarHBondContact O-CG 3.4Å; I188-M192 PolarHBondContact O-N 3.34Å; I188-A326 HydrophobicContact CG2-CB 3.96Å; I188-I329 HydrophobicContact CD1-CG2 3.96Å; I188-I329 HydrophobicContact CG1-CG2 4.36Å; I188-I329 HydrophobicContact CG2-CB 3.83Å; I188-I329 HydrophobicContact CG2-CD1 4.23Å; I188-I329 HydrophobicContact CG2-CG2 3.9Å; I188-S330 WeakPolarHBondContact CD1-OG 3.06Å; I188-F333 HydrophobicContact CD1-CD2 3.8Å; I188-F333 HydrophobicContact CD1-CE2 3.97Å
189	S	96.2	Very high	93.7	Very high	7 Å²	7	25.5 Å²	25.5	5%	0.049	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-41.1	176.5	-173.5	0	0	0	0	111.9	F185 H186 P187 M192 L193	F185-S189 VanDerWaalsContact O-CB 3.24Å; F185-S189 WeakPolarHBondContact O-CB 3.47Å; F185-S189 PolarHBondContact O-N 3.3Å; H186-S189 WeakPolarHBondContact O-CB 3Å; H186-S189 PolarHBondContact O-N 3.34Å; P187-S189 VanDerWaalsContact C-N 3.34Å; P187-S189 PolarHBondContact O-N 3.02Å; S189-M192 PolarHBondContact O-N 3.15Å; S189-L193 WeakPolarHBondContact O-CB 3.47Å; S189-L193 PolarHBondContact O-N 2.99Å
190	L	95.5	Very high	94.6	Very high	21 Å²	21	18.9 Å²	18.9	11%	0.11	10%	0.096	C	C	.	.	H	α-helix	trans	-67.2	-40.6	174.9	-172.5	66.3	0	0	0	112.3	H186 P187 I188 M192 L193 D194 V207 Q208 L217	H186-L190 PolarHBondContact O-N 2.97Å; P187-L190 PolarHBondContact O-N 3.44Å; I188-L190 VanDerWaalsContact C-N 3.33Å; I188-L190 PolarHBondContact O-N 2.83Å; L190-M192 VanDerWaalsContact C-N 3.34Å; L190-L193 PolarHBondContact O-N 3.18Å; L190-D194 WeakPolarHBondContact O-CB 3.34Å; L190-D194 PolarHBondContact O-N 3.49Å; L190-V207 HydrophobicContact CD1-CG2 4.31Å; L190-Q208 HydrophobicContact CD2-CB 4.41Å; L190-Q208 HydrophobicContact CD2-CG 4.2Å; L190-Q208 HydrophobicContact CG-CB 4.46Å; L190-Q208 HydrophobicContact CG-CG 3.85Å; L190-L217 HydrophobicContact CB-CD1 3.95Å; L190-L217 HydrophobicContact CD1-CD1 3.56Å; L190-L217 HydrophobicContact CG-CD1 4.34Å
191	M	96.8	Very high	95.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.3	-42.5	173.2	178.3	-79.1	-68.1	0	0	111.9	S164 V165 M168 P187 I188 D194 T195 I329	S164-M191 WeakPolarHBondContact O-CG 3.25Å; V165-M191 HydrophobicContact CG2-CE 4.09Å; V165-M191 HydrophobicContact CG2-CG 4.32Å; V165-M191 HydrophobicContact CG2-SD 3.76Å; M168-M191 HydrophobicContact CB-CB 4.06Å; M168-M191 HydrophobicContact CB-CG 4.04Å; M168-M191 HydrophobicContact CG-CB 4.26Å; M168-M191 HydrophobicContact SD-CB 3.75Å; M168-M191 HydrophobicContact SD-CE 4.4Å; M168-M191 HydrophobicContact SD-CG 4.06Å; P187-M191 PolarHBondContact O-N 2.66Å; I188-M191 HydrophobicContact CG2-CE 4.32Å; I188-M191 PolarHBondContact O-N 3.22Å; M191-D194 WeakPolarHBondContact O-CB 3.46Å; M191-D194 PolarHBondContact O-N 3.49Å; M191-T195 PolarHBondContact O-N 3.12Å; M191-T195 PolarHBondContact O-OG1 2.74Å; M191-I329 HydrophobicContact CE-CD1 3.72Å
192	M	97.4	Very high	95	Very high	6 Å²	6	14.1 Å²	14.1	3%	0.03	7%	0.071	C	C	.	.	H	α-helix	trans	-67.8	-39.1	177.5	-78.3	-57.9	-29.9	0	0	112.3	I188 S189 L190 D194 T195 I196 G321 H322 P325 A326 I329 V465	I188-M192 HydrophobicContact CG2-CG 4.45Å; I188-M192 WeakPolarHBondContact O-CB 3.36Å; I188-M192 WeakPolarHBondContact O-CG 3.4Å; I188-M192 PolarHBondContact O-N 3.34Å; S189-M192 PolarHBondContact O-N 3.15Å; L190-M192 VanDerWaalsContact C-N 3.34Å; M192-D194 VanDerWaalsContact C-N 3.3Å; M192-D194 PolarHBondContact O-N 3.29Å; M192-T195 PolarHBondContact O-N 3.21Å; M192-I196 WeakPolarHBondContact O-CG2 3.46Å; M192-I196 PolarHBondContact O-N 3.4Å; M192-G321 WeakPolarHBondContact CE-O 3.47Å; M192-H322 HydrophobicContact CB-CB 4.01Å; M192-P325 HydrophobicContact CE-CB 3.76Å; M192-P325 HydrophobicContact CE-CG 3.3Å; M192-P325 HydrophobicContact CG-CB 4.37Å; M192-P325 HydrophobicContact CG-CG 4.12Å; M192-P325 HydrophobicContact SD-CB 3.78Å; M192-P325 HydrophobicContact SD-CG 3.84Å; M192-A326 HydrophobicContact CB-CB 4.35Å; M192-A326 HydrophobicContact CG-CB 4Å; M192-I329 HydrophobicContact CG-CD1 4.13Å; M192-I329 HydrophobicContact SD-CD1 3.55Å; M192-I329 VanDerWaalsContact SD-CD1 3.55Å; M192-V465 HydrophobicContact CE-CB 4.47Å; M192-V465 HydrophobicContact CE-CG1 3.95Å; M192-V465 HydrophobicContact CE-CG2 4.41Å; M192-V465 HydrophobicContact SD-CB 4.37Å; M192-V465 HydrophobicContact SD-CG1 3.42Å; M192-V465 WeakPolarHBondContact SD-CG1 3.4Å
193	L	96.3	Very high	94.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.1	-41.5	174.3	-176.2	61	0	0	0	110.8	S189 L190 I196 M197 V207 Y216 L217 M318 H322	S189-L193 WeakPolarHBondContact O-CB 3.47Å; S189-L193 PolarHBondContact O-N 2.99Å; L190-L193 PolarHBondContact O-N 3.18Å; L193-I196 HydrophobicContact CD1-CG2 4.16Å; L193-I196 VanDerWaalsContact O-CG2 3.28Å; L193-I196 WeakPolarHBondContact O-CG2 3.48Å; L193-I196 PolarHBondContact O-N 3.08Å; L193-M197 HydrophobicContact CD1-CG 4.28Å; L193-M197 HydrophobicContact CG-CG 4.4Å; L193-M197 VanDerWaalsContact O-CB 3.24Å; L193-M197 WeakPolarHBondContact O-CB 3.3Å; L193-M197 WeakPolarHBondContact O-CG 3.28Å; L193-M197 PolarHBondContact O-N 3.29Å; L193-V207 HydrophobicContact CB-CG2 4.4Å; L193-V207 HydrophobicContact CG-CG2 4.22Å; L193-Y216 HydrophobicContact CD1-CD1 4.17Å; L193-Y216 HydrophobicContact CD1-CE1 3.76Å; L193-Y216 HydrophobicContact CD2-CD1 3.63Å; L193-Y216 HydrophobicContact CD2-CE1 4.03Å; L193-L217 HydrophobicContact CB-CD2 4.44Å; L193-L217 HydrophobicContact CD2-CD1 4.47Å; L193-L217 HydrophobicContact CD2-CD2 3.8Å; L193-L217 HydrophobicContact CD2-CG 3.93Å; L193-M318 HydrophobicContact CD1-CG 4.18Å; L193-M318 HydrophobicContact CD1-SD 3.66Å; L193-H322 HydrophobicContact CB-CB 4.19Å; L193-H322 HydrophobicContact CD1-CB 4.4Å
194	D	95.5	Very high	94.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-46.3	174.7	-169.2	54	0	0	0	112.5	S164 L190 M191 M192 I196 M197 K198 S206 V207 Q208	S164-D194 WeakPolarHBondContact CB-OD2 3.45Å; S164-D194 PolarHBondContact OG-OD2 3.08Å; L190-D194 WeakPolarHBondContact O-CB 3.34Å; L190-D194 PolarHBondContact O-N 3.49Å; M191-D194 WeakPolarHBondContact O-CB 3.46Å; M191-D194 PolarHBondContact O-N 3.49Å; M192-D194 VanDerWaalsContact C-N 3.3Å; M192-D194 PolarHBondContact O-N 3.29Å; D194-I196 PolarHBondContact O-N 3.43Å; D194-M197 PolarHBondContact O-N 3.46Å; D194-K198 WeakPolarHBondContact O-CG 3.35Å; D194-K198 PolarHBondContact O-N 3.18Å; D194-K198 WeakPolarHBondContact OD1-CE 3.43Å; D194-K198 IonicContact OD1-NZ 3.78Å; D194-K198 WeakPolarHBondContact OD2-CE 3.22Å; D194-K198 IonicContact OD2-NZ 3.39Å; D194-K198 PolarHBondContact OD2-NZ 3.39Å; D194-S206 VanDerWaalsContact OD1-CA 3.24Å; D194-S206 WeakPolarHBondContact OD1-CA 3.39Å; D194-V207 HydrophobicContact CB-CG2 3.53Å; D194-V207 PolarHBondContact OD1-N 3.46Å; D194-Q208 HydrophobicContact CB-CG 3.92Å; D194-Q208 PolarHBondContact OD2-NE2 3.49Å; D194-Q208 VanDerWaalsContact OD2-NE2 3.13Å
195	T	96.1	Very high	93.7	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-48.1	178.1	-57.5	0	0	0	0	110.9	M161 S164 M191 M192 K198 Y199 V465	M161-T195 HydrophobicContact CB-CG2 4.4Å; M161-T195 HydrophobicContact CG-CG2 3.88Å; S164-T195 WeakPolarHBondContact CB-OG1 3.49Å; M191-T195 PolarHBondContact O-N 3.12Å; M191-T195 PolarHBondContact O-OG1 2.74Å; M192-T195 PolarHBondContact O-N 3.21Å; T195-K198 PolarHBondContact O-N 2.98Å; T195-Y199 WeakPolarHBondContact O-CB 3.49Å; T195-Y199 PolarHBondContact O-N 3.15Å; T195-V465 HydrophobicContact CG2-CG2 4.18Å
196	I	95.3	Very high	93.3	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-70.3	-35.4	-179.1	-164.8	69.2	0	0	0	111.9	M192 L193 D194 K198 Y199 A200 F201 L317 M318 H322 L461	M192-I196 WeakPolarHBondContact O-CG2 3.46Å; M192-I196 PolarHBondContact O-N 3.4Å; L193-I196 HydrophobicContact CD1-CG2 4.16Å; L193-I196 VanDerWaalsContact O-CG2 3.28Å; L193-I196 WeakPolarHBondContact O-CG2 3.48Å; L193-I196 PolarHBondContact O-N 3.08Å; D194-I196 PolarHBondContact O-N 3.43Å; I196-K198 PolarHBondContact O-N 3.47Å; I196-Y199 HydrophobicContact CD1-CD1 4.02Å; I196-Y199 PolarHBondContact O-N 3.21Å; I196-A200 HydrophobicContact CD1-CB 3.81Å; I196-A200 HydrophobicContact CG1-CB 4.05Å; I196-A200 WeakPolarHBondContact O-CB 3.42Å; I196-A200 PolarHBondContact O-N 3.42Å; I196-F201 HydrophobicContact CG1-CE2 4.08Å; I196-F201 WeakPolarHBondContact O-CD2 3.43Å; I196-L317 HydrophobicContact CD1-CD1 4.46Å; I196-L317 HydrophobicContact CD1-CD2 4.49Å; I196-L317 HydrophobicContact CD1-CG 4.35Å; I196-M318 HydrophobicContact CG2-SD 4.2Å; I196-H322 HydrophobicContact CG2-CB 4.31Å; I196-L461 HydrophobicContact CD1-CD2 4.21Å
197	M	94.5	Very high	93.1	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-45.7	174.4	-79.2	-67.8	-74.9	0	0	111.8	L193 D194 F201 S202 Y203 V207 V265 M318	L193-M197 HydrophobicContact CD1-CG 4.28Å; L193-M197 HydrophobicContact CG-CG 4.4Å; L193-M197 VanDerWaalsContact O-CB 3.24Å; L193-M197 WeakPolarHBondContact O-CB 3.3Å; L193-M197 WeakPolarHBondContact O-CG 3.28Å; L193-M197 PolarHBondContact O-N 3.29Å; D194-M197 PolarHBondContact O-N 3.46Å; M197-F201 CarbonylContact O-C 3.56Å; M197-F201 WeakPolarHBondContact O-CA 3.45Å; M197-F201 WeakPolarHBondContact O-CB 3.39Å; M197-F201 PolarHBondContact O-N 3.41Å; M197-F201 HydrophobicContact SD-CB 4.33Å; M197-F201 HydrophobicContact SD-CD2 4.02Å; M197-F201 HydrophobicContact SD-CG 4.4Å; M197-S202 PolarHBondContact O-N 2.9Å; M197-Y203 HydrophobicContact CB-CD1 4.23Å; M197-Y203 HydrophobicContact CB-CG 4.31Å; M197-Y203 HydrophobicContact CE-CD1 4.15Å; M197-Y203 HydrophobicContact CE-CD2 3.71Å; M197-Y203 HydrophobicContact CE-CE2 4.22Å; M197-Y203 HydrophobicContact CE-CG 3.68Å; M197-Y203 WeakPolarHBondContact O-CB 3.32Å; M197-Y203 PolarHBondContact O-N 3.5Å; M197-V207 HydrophobicContact CB-CG1 4.45Å; M197-V207 HydrophobicContact CE-CG1 4.45Å; M197-V207 HydrophobicContact CG-CG1 4.18Å; M197-V265 HydrophobicContact CE-CG1 4.41Å; M197-V265 HydrophobicContact CE-CG2 3.47Å; M197-V265 VanDerWaalsContact CE-CG2 3.47Å; M197-V265 HydrophobicContact SD-CG1 4.46Å; M197-V265 HydrophobicContact SD-CG2 3.94Å; M197-M318 HydrophobicContact CG-SD 4.29Å; M197-M318 HydrophobicContact SD-CE 3.42Å; M197-M318 WeakPolarHBondContact SD-CE 3.07Å; M197-M318 HydrophobicContact SD-SD 3.8Å
198	K	93.6	Very high	93	Very high	35 Å²	35	18 Å²	18	15%	0.152	9%	0.094	C	C	.	.	H	α-helix	trans	-70.8	-42.4	176.8	-67.4	168.3	178.1	170.8	0	112.3	I160 S164 D194 T195 I196 G205	I160-K198 HydrophobicContact CG2-CB 3.47Å; I160-K198 VanDerWaalsContact CG2-CB 3.47Å; I160-K198 HydrophobicContact CG2-CD 3.99Å; I160-K198 HydrophobicContact CG2-CG 4.38Å; S164-K198 PolarHBondContact OG-NZ 3.36Å; D194-K198 WeakPolarHBondContact O-CG 3.35Å; D194-K198 PolarHBondContact O-N 3.18Å; D194-K198 WeakPolarHBondContact OD1-CE 3.43Å; D194-K198 IonicContact OD1-NZ 3.78Å; D194-K198 WeakPolarHBondContact OD2-CE 3.22Å; D194-K198 IonicContact OD2-NZ 3.39Å; D194-K198 PolarHBondContact OD2-NZ 3.39Å; T195-K198 PolarHBondContact O-N 2.98Å; I196-K198 PolarHBondContact O-N 3.47Å; K198-G205 WeakPolarHBondContact CE-O 3.42Å
199	Y	93.7	Very high	92.6	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.02	12%	0.123	C	C	.	.	H	α-helix	trans	-72.6	-54.6	-176.6	169.7	-96.2	0	0	0	113.9	A148 F149 I153 L154 Y157 T195 I196 L461	A148-Y199 PolarHBondContact O-OH 3.47Å; F149-Y199 HydrophobicContact CD1-CE1 4.45Å; F149-Y199 HydrophobicContact CE1-CE1 4.23Å; I153-Y199 HydrophobicContact CG2-CE2 4.35Å; L154-Y199 HydrophobicContact CD2-CE2 3.83Å; L154-Y199 VanDerWaalsContact CD2-OH 3.26Å; L154-Y199 WeakPolarHBondContact CD2-OH 3.3Å; Y157-Y199 AromaticContact CD1-CD2 3.41Å; Y157-Y199 HydrophobicContact CD1-CD2 3.41Å; Y157-Y199 VanDerWaalsContact CD1-CD2 3.41Å; Y157-Y199 HydrophobicContact CD1-CE2 4.31Å; Y157-Y199 HydrophobicContact CD1-CG 4.12Å; Y157-Y199 HydrophobicContact CD2-CD2 4.17Å; Y157-Y199 HydrophobicContact CD2-CE2 4.32Å; Y157-Y199 HydrophobicContact CE1-CD2 4.04Å; Y157-Y199 AromaticContact CG-CD2 3.48Å; Y157-Y199 HydrophobicContact CG-CD2 3.48Å; Y157-Y199 VanDerWaalsContact CG-CD2 3.48Å; Y157-Y199 HydrophobicContact CG-CE2 4.02Å; T195-Y199 WeakPolarHBondContact O-CB 3.49Å; T195-Y199 PolarHBondContact O-N 3.15Å; I196-Y199 HydrophobicContact CD1-CD1 4.02Å; I196-Y199 PolarHBondContact O-N 3.21Å; Y199-L461 HydrophobicContact CD1-CD1 4.38Å; Y199-L461 HydrophobicContact CD1-CD2 3.84Å; Y199-L461 HydrophobicContact CD2-CD1 4.34Å; Y199-L461 HydrophobicContact CE1-CD1 4.27Å; Y199-L461 HydrophobicContact CE1-CD2 3.53Å; Y199-L461 HydrophobicContact CE1-CG 4.49Å; Y199-L461 HydrophobicContact CE2-CD1 4.28Å; Y199-L461 HydrophobicContact CG-CD1 4.41Å
200	A	93.2	Very high	91.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-94.9	-28.7	-169	0	0	0	0	0	113.3	I196 F290 L291 L317	I196-A200 HydrophobicContact CD1-CB 3.81Å; I196-A200 HydrophobicContact CG1-CB 4.05Å; I196-A200 WeakPolarHBondContact O-CB 3.42Å; I196-A200 PolarHBondContact O-N 3.42Å; A200-F290 HydrophobicContact CB-CB 3.89Å; A200-L291 WeakPolarHBondContact O-CB 3.2Å; A200-L291 PolarHBondContact O-N 3.12Å; A200-L317 HydrophobicContact CB-CD2 3.53Å
201	F	93.1	Very high	91.2	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.018	17%	0.171	C	C	.	.	S	Bend	trans	-113.3	7.3	-171	-56.4	-72.8	0	0	0	113.3	I196 M197 Y203 V265 F290 L291 V314 L317 M318	I196-F201 HydrophobicContact CG1-CE2 4.08Å; I196-F201 WeakPolarHBondContact O-CD2 3.43Å; M197-F201 CarbonylContact O-C 3.56Å; M197-F201 WeakPolarHBondContact O-CA 3.45Å; M197-F201 WeakPolarHBondContact O-CB 3.39Å; M197-F201 PolarHBondContact O-N 3.41Å; M197-F201 HydrophobicContact SD-CB 4.33Å; M197-F201 HydrophobicContact SD-CD2 4.02Å; M197-F201 HydrophobicContact SD-CG 4.4Å; F201-Y203 PolarHBondContact O-N 3.15Å; F201-Y203 VanDerWaalsContact O-N 3.1Å; F201-V265 HydrophobicContact CB-CG1 3.67Å; F201-V265 HydrophobicContact CD1-CG1 3.99Å; F201-V265 HydrophobicContact CG-CG1 3.96Å; F201-F290 HydrophobicContact CE1-CD1 4.23Å; F201-F290 HydrophobicContact CE1-CE1 4.36Å; F201-L291 HydrophobicContact CB-CD2 4.35Å; F201-L291 HydrophobicContact CD1-CB 4Å; F201-L291 HydrophobicContact CD1-CD2 4.06Å; F201-L291 HydrophobicContact CD1-CG 4.46Å; F201-V314 HydrophobicContact CD1-CG1 4.46Å; F201-V314 HydrophobicContact CE1-CB 4.27Å; F201-V314 HydrophobicContact CE1-CG1 3.71Å; F201-V314 HydrophobicContact CE1-CG2 4.22Å; F201-V314 HydrophobicContact CZ-CG1 4.27Å; F201-L317 HydrophobicContact CZ-CB 4.32Å; F201-L317 HydrophobicContact CZ-CD2 4.33Å; F201-L317 HydrophobicContact CZ-CG 4.43Å; F201-M318 HydrophobicContact CD1-CE 4.4Å; F201-M318 HydrophobicContact CD2-CE 3.62Å; F201-M318 HydrophobicContact CD2-SD 3.96Å; F201-M318 HydrophobicContact CE1-CE 4.23Å; F201-M318 HydrophobicContact CE2-CB 4.32Å; F201-M318 HydrophobicContact CE2-CE 3.37Å; F201-M318 HydrophobicContact CE2-SD 3.46Å; F201-M318 WeakPolarHBondContact CE2-SD 3.42Å; F201-M318 HydrophobicContact CG-CE 4.13Å; F201-M318 HydrophobicContact CZ-CB 4.19Å; F201-M318 HydrophobicContact CZ-CE 3.7Å; F201-M318 HydrophobicContact CZ-SD 4.14Å
202	S	89.2	Confident	90.4	Very high	13 Å²	13	37.8 Å²	37.8	9%	0.091	19%	0.187	C	C	.	.			trans	50.5	33.4	179.5	-46.4	0	0	0	0	113.5	M197 R269 D289	M197-S202 PolarHBondContact O-N 2.9Å; S202-R269 VanDerWaalsContact CB-CZ 3.49Å; S202-R269 PolarHBondContact OG-NH2 3.4Å; S202-D289 PolarHBondContact OG-OD2 3.38Å
203	Y	89.8	Confident	89.9	Confident	52 Å²	52	37.5 Å²	37.5	20%	0.204	19%	0.185	C	C	.	.			trans	-70.2	131.9	179.5	-171.7	-111.7	0	0	0	110.6	M197 F201 G205 V207 D210 L268	M197-Y203 HydrophobicContact CB-CD1 4.23Å; M197-Y203 HydrophobicContact CB-CG 4.31Å; M197-Y203 HydrophobicContact CE-CD1 4.15Å; M197-Y203 HydrophobicContact CE-CD2 3.71Å; M197-Y203 HydrophobicContact CE-CE2 4.22Å; M197-Y203 HydrophobicContact CE-CG 3.68Å; M197-Y203 WeakPolarHBondContact O-CB 3.32Å; M197-Y203 PolarHBondContact O-N 3.5Å; F201-Y203 PolarHBondContact O-N 3.15Å; F201-Y203 VanDerWaalsContact O-N 3.1Å; Y203-G205 VanDerWaalsContact CE1-C 3.44Å; Y203-V207 HydrophobicContact CD1-CG1 4.17Å; Y203-V207 HydrophobicContact CE1-CG1 3.74Å; Y203-D210 PolarHBondContact OH-OD2 3.05Å; Y203-D210 VanDerWaalsContact OH-OD2 3.07Å; Y203-L268 HydrophobicContact CD2-CD2 4.31Å; Y203-L268 HydrophobicContact CE2-CD2 4.18Å
204	Q	83.1	Confident	89.5	Confident	168 Å²	168	41.4 Å²	41.4	79%	0.785	20%	0.204	S	C	*	.			trans	-97.6	3.8	-174.3	-66.1	-179.5	-13.8	0	0	113.7
205	G	85.4	Confident	89.4	Confident	27 Å²	27	44.2 Å²	44.2	28%	0.278	23%	0.226	S	C	.	.	S	Bend	trans	-107.1	-171.1	178.5	0	0	0	0	0	113.2	K198 Y203	K198-G205 WeakPolarHBondContact CE-O 3.42Å; Y203-G205 VanDerWaalsContact CE1-C 3.44Å
206	S	88.4	Confident	89.4	Confident	20 Å²	20	44.1 Å²	44.1	14%	0.14	23%	0.226	C	C	.	.			trans	-124	106.2	172.7	-179.9	0	0	0	0	109.6	D194 Q208 L209 D210	D194-S206 VanDerWaalsContact OD1-CA 3.24Å; D194-S206 WeakPolarHBondContact OD1-CA 3.39Å; S206-Q208 PolarHBondContact O-N 2.97Å; S206-Q208 VanDerWaalsContact O-N 3.17Å; S206-L209 PolarHBondContact O-N 3.19Å; S206-D210 PolarHBondContact O-N 2.88Å
207	V	90.3	Very high	89.3	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-18.8	179.6	-54.6	0	0	0	0	111.6	L190 L193 D194 M197 Y203 L209 D210 S213	L190-V207 HydrophobicContact CD1-CG2 4.31Å; L193-V207 HydrophobicContact CB-CG2 4.4Å; L193-V207 HydrophobicContact CG-CG2 4.22Å; D194-V207 HydrophobicContact CB-CG2 3.53Å; D194-V207 PolarHBondContact OD1-N 3.46Å; M197-V207 HydrophobicContact CB-CG1 4.45Å; M197-V207 HydrophobicContact CE-CG1 4.45Å; M197-V207 HydrophobicContact CG-CG1 4.18Å; Y203-V207 HydrophobicContact CD1-CG1 4.17Å; Y203-V207 HydrophobicContact CE1-CG1 3.74Å; V207-L209 VanDerWaalsContact C-N 3.29Å; V207-D210 WeakPolarHBondContact CA-OD1 3.47Å; V207-S213 WeakPolarHBondContact CG1-OG 3.28Å
208	Q	91.7	Very high	89.3	Confident	9 Å²	9	49 Å²	49	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-33.6	170.2	-75.6	-176.2	85.6	0	0	111.9	S164 V167 K171 L190 D194 S206	S164-Q208 PolarHBondContact O-NE2 3.46Å; V167-Q208 HydrophobicContact CG1-CB 3.76Å; V167-Q208 HydrophobicContact CG1-CG 4.39Å; K171-Q208 PolarHBondContact NZ-O 2.92Å; L190-Q208 HydrophobicContact CD2-CB 4.41Å; L190-Q208 HydrophobicContact CD2-CG 4.2Å; L190-Q208 HydrophobicContact CG-CB 4.46Å; L190-Q208 HydrophobicContact CG-CG 3.85Å; D194-Q208 HydrophobicContact CB-CG 3.92Å; D194-Q208 PolarHBondContact OD2-NE2 3.49Å; D194-Q208 VanDerWaalsContact OD2-NE2 3.13Å; S206-Q208 PolarHBondContact O-N 2.97Å; S206-Q208 VanDerWaalsContact O-N 3.17Å
209	L	89.4	Confident	89.4	Confident	117 Å²	117	47.4 Å²	47.4	61%	0.613	24%	0.242	S	C	*	.	H	α-helix	trans	-96.2	-36	-172.6	-61.4	178.5	0	0	0	113	V167 S206 V207	V167-L209 HydrophobicContact CG1-CD2 4.02Å; V167-L209 HydrophobicContact CG1-CG 4.32Å; S206-L209 PolarHBondContact O-N 3.19Å; V207-L209 VanDerWaalsContact C-N 3.29Å
210	D	81.7	Confident	89.5	Confident	66 Å²	66	47.3 Å²	47.3	35%	0.353	24%	0.242	S	C	.	.	H	α-helix	trans	-88.7	-0.8	-168.5	64.6	27.3	0	0	0	115.6	Y203 S206 V207 S212	Y203-D210 PolarHBondContact OH-OD2 3.05Å; Y203-D210 VanDerWaalsContact OH-OD2 3.07Å; S206-D210 PolarHBondContact O-N 2.88Å; V207-D210 WeakPolarHBondContact CA-OD1 3.47Å; D210-S212 VanDerWaalsContact CG-OG 3.26Å; D210-S212 PolarHBondContact O-N 3.46Å; D210-S212 WeakPolarHBondContact OD1-CB 3.49Å; D210-S212 PolarHBondContact OD1-N 3.26Å; D210-S212 PolarHBondContact OD1-OG 3.46Å; D210-S212 PolarHBondContact OD2-OG 3.41Å
211	R	79.9	Confident	89.5	Confident	215 Å²	215	49.4 Å²	49.4	81%	0.811	26%	0.256	S	S	*	.			trans	52.9	7	-175.4	-60	-174.9	179.6	-170.5	-0.1	114.9	S213 Q214	R211-S213 PolarHBondContact O-N 3.46Å; R211-S213 VanDerWaalsContact O-N 3.13Å; R211-Q214 PolarHBondContact O-N 3.45Å
212	S	80.4	Confident	89.6	Confident	47 Å²	47	51.4 Å²	51.4	33%	0.329	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.5	-172.3	67.6	0	0	0	0	113.3	D210	D210-S212 VanDerWaalsContact CG-OG 3.26Å; D210-S212 PolarHBondContact O-N 3.46Å; D210-S212 WeakPolarHBondContact OD1-CB 3.49Å; D210-S212 PolarHBondContact OD1-N 3.26Å; D210-S212 PolarHBondContact OD1-OG 3.46Å; D210-S212 PolarHBondContact OD2-OG 3.41Å
213	S	87.3	Confident	90	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	3.2	-173.4	-58.8	0	0	0	0	113.8	V207 R211 A215 Y216 L217 H261	V207-S213 WeakPolarHBondContact CG1-OG 3.28Å; R211-S213 PolarHBondContact O-N 3.46Å; R211-S213 VanDerWaalsContact O-N 3.13Å; S213-A215 VanDerWaalsContact C-N 3.33Å; S213-A215 PolarHBondContact O-N 3.19Å; S213-Y216 WeakPolarHBondContact O-CB 3.4Å; S213-Y216 PolarHBondContact O-N 2.93Å; S213-Y216 VanDerWaalsContact O-N 3.14Å; S213-L217 PolarHBondContact O-N 3.35Å; S213-H261 PolarHBondContact OG-CE1 2.87Å; S213-H261 VanDerWaalsContact OG-CE1 3.29Å
214	Q	89	Confident	90.1	Very high	82 Å²	82	48.3 Å²	48.3	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-42.4	179	-170.8	66.6	16.6	0	0	111.8	H186 R211 Y216 L217 Q218	H186-Q214 PolarHBondContact CE1-NE2 3.04Å; H186-Q214 VanDerWaalsContact CE1-NE2 3.29Å; H186-Q214 PolarHBondContact NE2-NE2 2.97Å; R211-Q214 PolarHBondContact O-N 3.45Å; Q214-Y216 VanDerWaalsContact C-N 3.29Å; Q214-Y216 PolarHBondContact O-N 2.8Å; Q214-L217 PolarHBondContact O-N 3.13Å; Q214-Q218 PolarHBondContact O-N 3.33Å
215	A	93.2	Very high	90.6	Very high	58 Å²	58	43.4 Å²	43.4	48%	0.479	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-37.7	176.4	0	0	0	0	0	111.9	S213 A219 I257	S213-A215 VanDerWaalsContact C-N 3.33Å; S213-A215 PolarHBondContact O-N 3.19Å; A215-A219 WeakPolarHBondContact O-CB 3.24Å; A215-A219 PolarHBondContact O-N 2.94Å; A215-I257 HydrophobicContact CB-CG2 4.12Å
216	Y	94.9	Very high	91	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-49.7	175	171.7	-95	0	0	0	111.3	L193 S213 Q214 Q218 A219 V220 A258 H261 M318 H322	L193-Y216 HydrophobicContact CD1-CD1 4.17Å; L193-Y216 HydrophobicContact CD1-CE1 3.76Å; L193-Y216 HydrophobicContact CD2-CD1 3.63Å; L193-Y216 HydrophobicContact CD2-CE1 4.03Å; S213-Y216 WeakPolarHBondContact O-CB 3.4Å; S213-Y216 PolarHBondContact O-N 2.93Å; S213-Y216 VanDerWaalsContact O-N 3.14Å; Q214-Y216 VanDerWaalsContact C-N 3.29Å; Q214-Y216 PolarHBondContact O-N 2.8Å; Y216-Q218 VanDerWaalsContact C-N 3.32Å; Y216-Q218 PolarHBondContact O-N 2.76Å; Y216-A219 WeakPolarHBondContact O-CB 3.12Å; Y216-A219 PolarHBondContact O-N 3.37Å; Y216-A219 VanDerWaalsContact O-N 3.15Å; Y216-V220 HydrophobicContact CD1-CG2 4.21Å; Y216-V220 HydrophobicContact CD2-CG2 4.37Å; Y216-V220 HydrophobicContact CE1-CG2 3.69Å; Y216-V220 HydrophobicContact CE2-CG2 3.88Å; Y216-V220 VanDerWaalsContact CZ-CG2 3.49Å; Y216-V220 WeakPolarHBondContact O-CG2 3.5Å; Y216-V220 PolarHBondContact O-N 3.47Å; Y216-A258 HydrophobicContact CD2-CB 4.46Å; Y216-A258 HydrophobicContact CE2-CB 4.35Å; Y216-H261 HydrophobicContact CD2-CB 3.71Å; Y216-H261 AromaticContact CD2-CD2 3.65Å; Y216-H261 AromaticContact CD2-CG 3.7Å; Y216-H261 HydrophobicContact CG-CB 4.24Å; Y216-H261 AromaticContact CG-CD2 3.86Å; Y216-H261 AromaticContact CG-CG 3.86Å; Y216-M318 HydrophobicContact CE1-CG 4.09Å; Y216-M318 HydrophobicContact CE2-CG 4.18Å; Y216-M318 WeakPolarHBondContact OH-CG 3.43Å; Y216-H322 AromaticContact CE1-CE1 3.75Å
217	L	93.7	Very high	91.3	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-40.5	178.8	-72	179.1	0	0	0	112.4	L190 L193 S213 Q214 V220 S221	L190-L217 HydrophobicContact CB-CD1 3.95Å; L190-L217 HydrophobicContact CD1-CD1 3.56Å; L190-L217 HydrophobicContact CG-CD1 4.34Å; L193-L217 HydrophobicContact CB-CD2 4.44Å; L193-L217 HydrophobicContact CD2-CD1 4.47Å; L193-L217 HydrophobicContact CD2-CD2 3.8Å; L193-L217 HydrophobicContact CD2-CG 3.93Å; S213-L217 PolarHBondContact O-N 3.35Å; Q214-L217 PolarHBondContact O-N 3.13Å; L217-V220 PolarHBondContact O-N 3.48Å; L217-S221 PolarHBondContact O-N 3.49Å
218	Q	94.1	Very high	91.3	Very high	97 Å²	97	42.1 Å²	42.1	45%	0.453	22%	0.218	S	C	.	.	H	α-helix	trans	-63.3	-44.7	174.7	-174.7	57.7	49.6	0	0	111.3	Q214 Y216 V220 S221 D222	Q214-Q218 PolarHBondContact O-N 3.33Å; Y216-Q218 VanDerWaalsContact C-N 3.32Å; Y216-Q218 PolarHBondContact O-N 2.76Å; Q218-V220 VanDerWaalsContact C-N 3.35Å; Q218-V220 PolarHBondContact O-N 3.49Å; Q218-S221 WeakPolarHBondContact O-CB 3.22Å; Q218-S221 PolarHBondContact O-N 3.44Å; Q218-S221 VanDerWaalsContact O-N 3.17Å; Q218-D222 PolarHBondContact NE2-OD1 3.49Å; Q218-D222 PolarHBondContact O-N 3.35Å
219	A	96.6	Very high	91.2	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-42	176.4	0	0	0	0	0	112.2	A215 Y216 S221 D222 L223 A254 I257	A215-A219 WeakPolarHBondContact O-CB 3.24Å; A215-A219 PolarHBondContact O-N 2.94Å; Y216-A219 WeakPolarHBondContact O-CB 3.12Å; Y216-A219 PolarHBondContact O-N 3.37Å; Y216-A219 VanDerWaalsContact O-N 3.15Å; A219-S221 VanDerWaalsContact C-N 3.34Å; A219-S221 PolarHBondContact O-N 3.03Å; A219-D222 PolarHBondContact O-N 2.98Å; A219-L223 WeakPolarHBondContact O-CB 3.41Å; A219-L223 WeakPolarHBondContact O-CD1 3.44Å; A219-L223 WeakPolarHBondContact O-CG 3.42Å; A219-L223 PolarHBondContact O-N 3.47Å; A219-A254 HydrophobicContact CB-CB 4.26Å; A219-I257 HydrophobicContact CB-CB 3.96Å; A219-I257 HydrophobicContact CB-CG2 3.78Å
220	V	95.6	Very high	91.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-41.2	174.6	172.3	0	0	0	0	111.5	W125 Y216 L217 Q218 L223 N224 F319	W125-V220 HydrophobicContact CH2-CG1 4.1Å; W125-V220 HydrophobicContact CZ2-CB 4.41Å; W125-V220 HydrophobicContact CZ2-CG1 4.06Å; W125-V220 HydrophobicContact CZ2-CG2 4.01Å; Y216-V220 HydrophobicContact CD1-CG2 4.21Å; Y216-V220 HydrophobicContact CD2-CG2 4.37Å; Y216-V220 HydrophobicContact CE1-CG2 3.69Å; Y216-V220 HydrophobicContact CE2-CG2 3.88Å; Y216-V220 VanDerWaalsContact CZ-CG2 3.49Å; Y216-V220 WeakPolarHBondContact O-CG2 3.5Å; Y216-V220 PolarHBondContact O-N 3.47Å; L217-V220 PolarHBondContact O-N 3.48Å; Q218-V220 VanDerWaalsContact C-N 3.35Å; Q218-V220 PolarHBondContact O-N 3.49Å; V220-L223 PolarHBondContact O-N 3.4Å; V220-N224 WeakPolarHBondContact O-CB 3.32Å; V220-N224 PolarHBondContact O-N 2.89Å; V220-N224 PolarHBondContact O-ND2 2.84Å; V220-N224 VanDerWaalsContact O-ND2 3.11Å; V220-F319 HydrophobicContact CG1-CD2 4.13Å; V220-F319 HydrophobicContact CG1-CE2 4.4Å
221	S	93.6	Very high	91.6	Very high	44 Å²	44	37.3 Å²	37.3	31%	0.308	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-46.1	175	-168.5	0	0	0	0	111.9	L217 Q218 A219 N224 N225	L217-S221 PolarHBondContact O-N 3.49Å; Q218-S221 WeakPolarHBondContact O-CB 3.22Å; Q218-S221 PolarHBondContact O-N 3.44Å; Q218-S221 VanDerWaalsContact O-N 3.17Å; A219-S221 VanDerWaalsContact C-N 3.34Å; A219-S221 PolarHBondContact O-N 3.03Å; S221-N224 PolarHBondContact O-N 2.82Å; S221-N225 PolarHBondContact O-N 3.11Å; S221-N225 VanDerWaalsContact O-N 3.12Å; S221-N225 PolarHBondContact O-ND2 2.72Å; S221-N225 VanDerWaalsContact O-ND2 3.14Å
222	D	95.3	Very high	91.8	Very high	46 Å²	46	29 Å²	29	25%	0.246	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-44.4	177.5	-71.8	-27	0	0	0	111.7	Q218 A219 N225 L226 A254	Q218-D222 PolarHBondContact NE2-OD1 3.49Å; Q218-D222 PolarHBondContact O-N 3.35Å; A219-D222 PolarHBondContact O-N 2.98Å; D222-N225 PolarHBondContact O-N 2.9Å; D222-L226 HydrophobicContact CB-CD1 4.46Å; D222-L226 WeakPolarHBondContact O-CB 3.34Å; D222-L226 WeakPolarHBondContact O-CD1 3.46Å; D222-L226 WeakPolarHBondContact O-CG 3.38Å; D222-L226 PolarHBondContact O-N 2.88Å; D222-A254 HydrophobicContact CB-CB 4.28Å
223	L	96.3	Very high	91.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-44.9	177.4	-72.3	165.3	0	0	0	111.9	W125 A219 V220 N225 L226 V227 T251 A254 C255 A258	W125-L223 HydrophobicContact CB-CD1 4.45Å; W125-L223 HydrophobicContact CD2-CB 4.17Å; W125-L223 HydrophobicContact CD2-CD1 3.71Å; W125-L223 HydrophobicContact CD2-CG 4.41Å; W125-L223 HydrophobicContact CE3-CB 3.92Å; W125-L223 HydrophobicContact CE3-CD1 4.33Å; W125-L223 HydrophobicContact CG-CD1 3.73Å; W125-L223 HydrophobicContact CH2-CB 4.34Å; W125-L223 HydrophobicContact CZ2-CD1 4.36Å; W125-L223 HydrophobicContact CZ3-CB 4.01Å; A219-L223 WeakPolarHBondContact O-CB 3.41Å; A219-L223 WeakPolarHBondContact O-CD1 3.44Å; A219-L223 WeakPolarHBondContact O-CG 3.42Å; A219-L223 PolarHBondContact O-N 3.47Å; V220-L223 PolarHBondContact O-N 3.4Å; L223-N225 VanDerWaalsContact C-N 3.31Å; L223-N225 PolarHBondContact O-N 3.37Å; L223-L226 PolarHBondContact O-N 3.42Å; L223-V227 VanDerWaalsContact O-CB 3.24Å; L223-V227 WeakPolarHBondContact O-CB 3.33Å; L223-V227 VanDerWaalsContact O-CG2 3.23Å; L223-V227 WeakPolarHBondContact O-CG2 3.17Å; L223-V227 PolarHBondContact O-N 2.93Å; L223-T251 HydrophobicContact CD2-CG2 3.95Å; L223-A254 HydrophobicContact CD1-CB 4.2Å; L223-A254 HydrophobicContact CD2-CB 3.87Å; L223-A254 HydrophobicContact CG-CB 3.68Å; L223-C255 VanDerWaalsContact CD2-SG 3.57Å; L223-A258 HydrophobicContact CD1-CB 4.2Å
224	N	93.3	Very high	91.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-53.7	-48.7	174.2	-89.4	-46.6	0	0	0	111.4	V220 S221 T228 D323 Q492 L493 K496	V220-N224 WeakPolarHBondContact O-CB 3.32Å; V220-N224 PolarHBondContact O-N 2.89Å; V220-N224 PolarHBondContact O-ND2 2.84Å; V220-N224 VanDerWaalsContact O-ND2 3.11Å; S221-N224 PolarHBondContact O-N 2.82Å; N224-T228 WeakPolarHBondContact O-CB 3.45Å; N224-T228 PolarHBondContact O-N 3.31Å; N224-T228 PolarHBondContact O-OG1 3.12Å; N224-D323 PolarHBondContact ND2-OD2 3.43Å; N224-Q492 PolarHBondContact OD1-O 2.9Å; N224-L493 VanDerWaalsContact OD1-CD1 3.3Å; N224-L493 WeakPolarHBondContact OD1-CD1 3.47Å; N224-K496 PolarHBondContact ND2-NZ 2.99Å
225	N	92.4	Very high	91.6	Very high	64 Å²	64	32.4 Å²	32.4	34%	0.342	18%	0.178	S	C	.	.	H	α-helix	trans	-66.2	-49.2	-180	-74.6	-37.9	0	0	0	112.5	S221 D222 L223 T228 S229 Q492	S221-N225 PolarHBondContact O-N 3.11Å; S221-N225 VanDerWaalsContact O-N 3.12Å; S221-N225 PolarHBondContact O-ND2 2.72Å; S221-N225 VanDerWaalsContact O-ND2 3.14Å; D222-N225 PolarHBondContact O-N 2.9Å; L223-N225 VanDerWaalsContact C-N 3.31Å; L223-N225 PolarHBondContact O-N 3.37Å; N225-T228 PolarHBondContact O-N 3.01Å; N225-S229 VanDerWaalsContact O-CB 3.31Å; N225-S229 WeakPolarHBondContact O-CB 3.45Å; N225-S229 PolarHBondContact O-N 3.38Å; N225-Q492 PolarHBondContact OD1-NE2 3.41Å
226	L	94.4	Very high	91.5	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.037	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-44.9	-177.5	-70.4	165.3	0	0	0	111.6	D222 L223 S229 R230 H247 R250	D222-L226 HydrophobicContact CB-CD1 4.46Å; D222-L226 WeakPolarHBondContact O-CB 3.34Å; D222-L226 WeakPolarHBondContact O-CD1 3.46Å; D222-L226 WeakPolarHBondContact O-CG 3.38Å; D222-L226 PolarHBondContact O-N 2.88Å; L223-L226 PolarHBondContact O-N 3.42Å; L226-S229 PolarHBondContact O-N 3.3Å; L226-R230 WeakPolarHBondContact O-CB 3.18Å; L226-R230 PolarHBondContact O-N 3.17Å; L226-H247 HydrophobicContact CD2-CB 4.26Å; L226-R250 HydrophobicContact CD1-CB 3.78Å; L226-R250 HydrophobicContact CD2-CB 4.34Å
227	V	93.7	Very high	91.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-67.7	-43	178.3	174.2	0	0	0	0	111	F121 L122 L223 S229 R230 M231 L493	F121-V227 HydrophobicContact CB-CG1 4.28Å; L122-V227 HydrophobicContact CD2-CB 4.29Å; L122-V227 HydrophobicContact CD2-CG1 3.71Å; L122-V227 HydrophobicContact CD2-CG2 4.11Å; L122-V227 HydrophobicContact CG-CG1 3.92Å; L223-V227 VanDerWaalsContact O-CB 3.24Å; L223-V227 WeakPolarHBondContact O-CB 3.33Å; L223-V227 VanDerWaalsContact O-CG2 3.23Å; L223-V227 WeakPolarHBondContact O-CG2 3.17Å; L223-V227 PolarHBondContact O-N 2.93Å; V227-S229 VanDerWaalsContact C-N 3.33Å; V227-S229 PolarHBondContact O-N 3.43Å; V227-R230 WeakPolarHBondContact O-CB 3.43Å; V227-R230 PolarHBondContact O-N 2.92Å; V227-R230 VanDerWaalsContact O-N 3.14Å; V227-M231 HydrophobicContact CG1-CE 3.68Å; V227-M231 HydrophobicContact CG1-CG 4.33Å; V227-M231 HydrophobicContact CG1-SD 4.2Å; V227-M231 WeakPolarHBondContact O-CG 3.48Å; V227-M231 PolarHBondContact O-N 3.31Å; V227-L493 HydrophobicContact CG1-CD1 4.41Å; V227-L493 HydrophobicContact CG1-CD2 4.38Å
228	T	90.7	Very high	91.2	Very high	12 Å²	12	34.8 Å²	34.8	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-43.9	176.2	-61.6	0	0	0	0	110.9	N224 N225 R230 M231 K232 Q492 L493	N224-T228 WeakPolarHBondContact O-CB 3.45Å; N224-T228 PolarHBondContact O-N 3.31Å; N224-T228 PolarHBondContact O-OG1 3.12Å; N225-T228 PolarHBondContact O-N 3.01Å; T228-R230 VanDerWaalsContact C-N 3.3Å; T228-R230 PolarHBondContact O-N 3.47Å; T228-M231 PolarHBondContact O-N 3.1Å; T228-K232 HydrophobicContact CG2-CD 4.15Å; T228-K232 WeakPolarHBondContact O-CG 3.19Å; T228-K232 PolarHBondContact O-N 3.14Å; T228-K232 VanDerWaalsContact O-N 3.07Å; T228-Q492 WeakPolarHBondContact OG1-CA 3.33Å; T228-L493 PolarHBondContact OG1-N 2.99Å
229	S	89.5	Confident	91.1	Very high	45 Å²	45	33.4 Å²	33.4	32%	0.315	18%	0.177	S	C	.	.	H	α-helix	trans	-59.3	-41.6	174.2	-177.5	0	0	0	0	111.6	N225 L226 V227 K232 N233	N225-S229 VanDerWaalsContact O-CB 3.31Å; N225-S229 WeakPolarHBondContact O-CB 3.45Å; N225-S229 PolarHBondContact O-N 3.38Å; L226-S229 PolarHBondContact O-N 3.3Å; V227-S229 VanDerWaalsContact C-N 3.33Å; V227-S229 PolarHBondContact O-N 3.43Å; S229-K232 PolarHBondContact O-N 2.99Å; S229-N233 WeakPolarHBondContact O-CB 3.3Å; S229-N233 PolarHBondContact O-N 3.48Å; S229-N233 VanDerWaalsContact O-N 3.16Å
230	R	92	Very high	91	Very high	12 Å²	12	39.3 Å²	39.3	5%	0.045	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-43.2	177.1	-172.2	175.4	-168.5	-167.3	-5	111.8	F121 L226 V227 T228 K232 N233 L236 H237 D239 Y242	F121-R230 HydrophobicContact CD1-CG 4.32Å; F121-R230 HydrophobicContact CD2-CG 4.09Å; F121-R230 HydrophobicContact CE2-CG 4.32Å; F121-R230 HydrophobicContact CG-CG 4.11Å; L226-R230 WeakPolarHBondContact O-CB 3.18Å; L226-R230 PolarHBondContact O-N 3.17Å; V227-R230 WeakPolarHBondContact O-CB 3.43Å; V227-R230 PolarHBondContact O-N 2.92Å; V227-R230 VanDerWaalsContact O-N 3.14Å; T228-R230 VanDerWaalsContact C-N 3.3Å; T228-R230 PolarHBondContact O-N 3.47Å; R230-K232 VanDerWaalsContact C-N 3.3Å; R230-K232 PolarHBondContact O-N 2.88Å; R230-N233 PolarHBondContact O-N 3.15Å; R230-L236 HydrophobicContact CG-CB 3.99Å; R230-L236 PolarHBondContact NE-O 3.44Å; R230-H237 PolarHBondContact O-CD2 3.39Å; R230-H237 PolarHBondContact O-NE2 3.42Å; R230-H237 VanDerWaalsContact O-NE2 3.13Å; R230-D239 IonicContact CZ-OD1 3.93Å; R230-D239 IonicContact NH2-OD1 2.71Å; R230-D239 PolarHBondContact NH2-OD1 3.39Å; R230-Y242 HydrophobicContact CB-CE2 4.29Å; R230-Y242 HydrophobicContact CG-CD2 4.2Å; R230-Y242 HydrophobicContact CG-CE2 3.95Å; R230-Y242 VanDerWaalsContact CZ-CG 3.46Å
231	M	88.8	Confident	90.9	Very high	33 Å²	33	43.3 Å²	43.3	16%	0.163	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-39.3	177.7	-74.1	179.7	175.9	0	0	112	L118 F121 L122 V227 T228 H237 L493	L118-M231 HydrophobicContact CB-CG 4.47Å; F121-M231 HydrophobicContact CD2-CG 3.86Å; L122-M231 HydrophobicContact CD1-CE 3.99Å; L122-M231 HydrophobicContact CG-CE 4.17Å; V227-M231 HydrophobicContact CG1-CE 3.68Å; V227-M231 HydrophobicContact CG1-CG 4.33Å; V227-M231 HydrophobicContact CG1-SD 4.2Å; V227-M231 WeakPolarHBondContact O-CG 3.48Å; V227-M231 PolarHBondContact O-N 3.31Å; T228-M231 PolarHBondContact O-N 3.1Å; M231-H237 PolarHBondContact O-NE2 2.9Å; M231-L493 HydrophobicContact CE-CD2 4.05Å; M231-L493 HydrophobicContact SD-CD2 3.91Å
232	K	82.1	Confident	91	Very high	42 Å²	42	41.4 Å²	41.4	18%	0.183	21%	0.214	C	C	.	.	H	α-helix	trans	-80.4	-19.3	-177.7	-69	-179.4	173.7	-175	0	114.3	V68 E71 T228 S229 R230	V68-K232 HydrophobicContact CB-CD 4.42Å; V68-K232 HydrophobicContact CG1-CD 3.63Å; V68-K232 HydrophobicContact CG2-CD 4.3Å; V68-K232 PolarHBondContact O-NZ 3.33Å; E71-K232 WeakPolarHBondContact OE2-CE 3.44Å; E71-K232 IonicContact OE2-NZ 2.65Å; E71-K232 PolarHBondContact OE2-NZ 3.07Å; E71-K232 VanDerWaalsContact OE2-NZ 3.16Å; T228-K232 HydrophobicContact CG2-CD 4.15Å; T228-K232 WeakPolarHBondContact O-CG 3.19Å; T228-K232 PolarHBondContact O-N 3.14Å; T228-K232 VanDerWaalsContact O-N 3.07Å; S229-K232 PolarHBondContact O-N 2.99Å; R230-K232 VanDerWaalsContact C-N 3.3Å; R230-K232 PolarHBondContact O-N 2.88Å
233	N	84.4	Confident	90.9	Very high	55 Å²	55	43.8 Å²	43.8	29%	0.294	23%	0.227	S	C	.	.			trans	-110.7	106.5	-178.6	-173.8	-15.3	0	0	0	111.8	S229 R230 F235 L236 H237	S229-N233 WeakPolarHBondContact O-CB 3.3Å; S229-N233 PolarHBondContact O-N 3.48Å; S229-N233 VanDerWaalsContact O-N 3.16Å; R230-N233 PolarHBondContact O-N 3.15Å; N233-F235 PolarHBondContact O-N 2.85Å; N233-F235 WeakPolarHBondContact OD1-CB 3.35Å; N233-F235 WeakPolarHBondContact OD1-CD2 3.28Å; N233-F235 PolarHBondContact OD1-N 2.87Å; N233-F235 VanDerWaalsContact OD1-N 3.09Å; N233-L236 HydrophobicContact CB-CB 4.41Å; N233-L236 HydrophobicContact CB-CD1 4.03Å; N233-L236 HydrophobicContact CB-CG 4.08Å; N233-L236 WeakPolarHBondContact O-CB 3.38Å; N233-L236 PolarHBondContact O-N 3.31Å; N233-H237 PolarHBondContact O-CD2 3.21Å
234	V	84.8	Confident	90.9	Very high	28 Å²	28	50.3 Å²	50.3	17%	0.17	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.5	-28.6	-177.1	84.8	0	0	0	0	113.3	W91 L236 H237	W91-V234 HydrophobicContact CB-CB 4.23Å; W91-V234 HydrophobicContact CB-CG1 3.74Å; W91-V234 HydrophobicContact CB-CG2 4.5Å; W91-V234 HydrophobicContact CD2-CB 4.32Å; W91-V234 HydrophobicContact CD2-CG1 3.41Å; W91-V234 VanDerWaalsContact CD2-CG1 3.41Å; W91-V234 HydrophobicContact CE3-CG1 4.17Å; W91-V234 HydrophobicContact CG-CB 3.69Å; W91-V234 HydrophobicContact CG-CG1 3.15Å; W91-V234 HydrophobicContact CG-CG2 4.46Å; V234-L236 PolarHBondContact O-N 2.91Å; V234-H237 VanDerWaalsContact O-CB 3.22Å; V234-H237 WeakPolarHBondContact O-CB 3.42Å; V234-H237 PolarHBondContact O-N 3.38Å
235	F	84.8	Confident	91	Very high	116 Å²	116	51.8 Å²	51.8	51%	0.509	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-65.4	-29.5	179.2	-60.8	-62.3	0	0	0	111.2	W91 N233 H237	W91-F235 HydrophobicContact CE3-CE2 4.26Å; W91-F235 AromaticContact CE3-CZ 3.94Å; W91-F235 HydrophobicContact CE3-CZ 3.94Å; W91-F235 AromaticContact CH2-CD2 3.92Å; W91-F235 HydrophobicContact CH2-CD2 3.92Å; W91-F235 AromaticContact CH2-CE2 3.01Å; W91-F235 HydrophobicContact CH2-CE2 3.01Å; W91-F235 AromaticContact CH2-CZ 3.44Å; W91-F235 HydrophobicContact CH2-CZ 3.44Å; W91-F235 VanDerWaalsContact CH2-CZ 3.44Å; W91-F235 AromaticContact CZ2-CD2 3.96Å; W91-F235 HydrophobicContact CZ2-CD2 3.96Å; W91-F235 AromaticContact CZ2-CE2 3.52Å; W91-F235 HydrophobicContact CZ2-CE2 3.52Å; W91-F235 HydrophobicContact CZ2-CZ 4.2Å; W91-F235 HydrophobicContact CZ3-CD2 4.47Å; W91-F235 HydrophobicContact CZ3-CE1 4.24Å; W91-F235 AromaticContact CZ3-CE2 3.41Å; W91-F235 HydrophobicContact CZ3-CE2 3.41Å; W91-F235 VanDerWaalsContact CZ3-CE2 3.41Å; W91-F235 AromaticContact CZ3-CZ 3.24Å; W91-F235 HydrophobicContact CZ3-CZ 3.24Å; N233-F235 PolarHBondContact O-N 2.85Å; N233-F235 WeakPolarHBondContact OD1-CB 3.35Å; N233-F235 WeakPolarHBondContact OD1-CD2 3.28Å; N233-F235 PolarHBondContact OD1-N 2.87Å; N233-F235 VanDerWaalsContact OD1-N 3.09Å; F235-H237 VanDerWaalsContact C-N 3.27Å; F235-H237 PolarHBondContact O-N 2.95Å
236	L	90.5	Very high	91.1	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.089	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-82.5	-2.1	174.9	-57.6	-176.8	0	0	0	112.9	R230 N233 V234 Y242 T245	R230-L236 HydrophobicContact CG-CB 3.99Å; R230-L236 PolarHBondContact NE-O 3.44Å; N233-L236 HydrophobicContact CB-CB 4.41Å; N233-L236 HydrophobicContact CB-CD1 4.03Å; N233-L236 HydrophobicContact CB-CG 4.08Å; N233-L236 WeakPolarHBondContact O-CB 3.38Å; N233-L236 PolarHBondContact O-N 3.31Å; V234-L236 PolarHBondContact O-N 2.91Å; L236-Y242 HydrophobicContact CB-CD2 3.96Å; L236-Y242 HydrophobicContact CB-CE2 4.47Å; L236-Y242 HydrophobicContact CD2-CD2 4.22Å; L236-T245 HydrophobicContact CD2-CG2 3.97Å
237	H	90.8	Very high	91.1	Very high	29 Å²	29	54.1 Å²	54.1	13%	0.134	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-74.3	-33	176.7	-68.4	-168.5	0	0	0	111.4	L118 R120 F121 R230 M231 N233 V234 F235 D239	L118-H237 WeakPolarHBondContact CD2-CE1 3.4Å; R120-H237 PolarHBondContact NH2-O 3.37Å; F121-H237 AromaticContact CE2-CD2 3.59Å; F121-H237 AromaticContact CE2-CG 3.97Å; F121-H237 AromaticContact CE2-NE2 3.87Å; F121-H237 HydrophobicContact CZ-CB 3.77Å; F121-H237 AromaticContact CZ-CD2 3.62Å; F121-H237 AromaticContact CZ-CG 3.61Å; R230-H237 PolarHBondContact O-CD2 3.39Å; R230-H237 PolarHBondContact O-NE2 3.42Å; R230-H237 VanDerWaalsContact O-NE2 3.13Å; M231-H237 PolarHBondContact O-NE2 2.9Å; N233-H237 PolarHBondContact O-CD2 3.21Å; V234-H237 VanDerWaalsContact O-CB 3.22Å; V234-H237 WeakPolarHBondContact O-CB 3.42Å; V234-H237 PolarHBondContact O-N 3.38Å; F235-H237 VanDerWaalsContact C-N 3.27Å; F235-H237 PolarHBondContact O-N 2.95Å; H237-D239 PolarHBondContact O-N 2.9Å
238	N	91.2	Very high	91.2	Very high	75 Å²	75	54.1 Å²	54.1	40%	0.401	29%	0.286	S	S	.	.	S	Bend	trans	-69.4	124	175.2	-177.8	-75.2	0	0	0	109.8	I240 I241 Y242	N238-I240 VanDerWaalsContact C-N 3.34Å; N238-I240 PolarHBondContact O-N 2.8Å; N238-I240 WeakPolarHBondContact OD1-CA 3.17Å; N238-I240 VanDerWaalsContact OD1-CB 3.3Å; N238-I240 WeakPolarHBondContact OD1-CB 3.48Å; N238-I240 PolarHBondContact OD1-N 2.93Å; N238-I241 HydrophobicContact CB-CB 4.2Å; N238-I241 HydrophobicContact CB-CD1 3.97Å; N238-I241 HydrophobicContact CB-CG1 4.08Å; N238-I241 PolarHBondContact O-N 3.27Å; N238-I241 PolarHBondContact OD1-N 2.86Å; N238-Y242 VanDerWaalsContact O-CB 3.31Å; N238-Y242 WeakPolarHBondContact O-CB 3.49Å; N238-Y242 PolarHBondContact O-N 3.36Å
239	D	93.1	Very high	91.4	Very high	68 Å²	68	61.2 Å²	61.2	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-67.1	-33.8	-174.9	-63	-46.5	0	0	0	112.7	R120 R230 H237 Y242 N243	R120-D239 IonicContact CZ-OD1 3.24Å; R120-D239 IonicContact CZ-OD2 3.16Å; R120-D239 VanDerWaalsContact NH1-CG 3.26Å; R120-D239 IonicContact NH1-OD1 3.97Å; R120-D239 PolarHBondContact NH1-OD1 2.9Å; R120-D239 IonicContact NH1-OD2 2.79Å; R120-D239 PolarHBondContact NH1-OD2 3.37Å; R120-D239 IonicContact NH2-OD2 2.86Å; R230-D239 IonicContact CZ-OD1 3.93Å; R230-D239 IonicContact NH2-OD1 2.71Å; R230-D239 PolarHBondContact NH2-OD1 3.39Å; H237-D239 PolarHBondContact O-N 2.9Å; D239-Y242 PolarHBondContact O-N 3.41Å; D239-N243 VanDerWaalsContact O-CB 3.25Å; D239-N243 WeakPolarHBondContact O-CB 3.48Å; D239-N243 PolarHBondContact O-N 3.3Å; D239-N243 PolarHBondContact O-ND2 3.21Å; D239-N243 PolarHBondContact O-OD1 2.94Å
240	I	93.7	Very high	91.8	Very high	126 Å²	126	65.5 Å²	65.5	65%	0.646	32%	0.321	S	S	*	.	H	α-helix	trans	-64.4	-51.4	177.7	-57.5	171	0	0	0	109.2	N238 Y242 N243 L244	N238-I240 VanDerWaalsContact C-N 3.34Å; N238-I240 PolarHBondContact O-N 2.8Å; N238-I240 WeakPolarHBondContact OD1-CA 3.17Å; N238-I240 VanDerWaalsContact OD1-CB 3.3Å; N238-I240 WeakPolarHBondContact OD1-CB 3.48Å; N238-I240 PolarHBondContact OD1-N 2.93Å; I240-Y242 VanDerWaalsContact C-N 3.32Å; I240-Y242 PolarHBondContact O-N 3.21Å; I240-N243 PolarHBondContact O-N 2.82Å; I240-L244 WeakPolarHBondContact O-CG 3.42Å; I240-L244 PolarHBondContact O-N 2.89Å
241	I	93	Very high	92	Very high	86 Å²	86	65.3 Å²	65.3	44%	0.441	32%	0.32	S	S	.	.	H	α-helix	trans	-59.7	-46.8	177	-61.3	177.3	0	0	0	109.9	N238 N243 L244 T245	N238-I241 HydrophobicContact CB-CB 4.2Å; N238-I241 HydrophobicContact CB-CD1 3.97Å; N238-I241 HydrophobicContact CB-CG1 4.08Å; N238-I241 PolarHBondContact O-N 3.27Å; N238-I241 PolarHBondContact OD1-N 2.86Å; I241-N243 VanDerWaalsContact C-N 3.34Å; I241-N243 PolarHBondContact O-N 3.22Å; I241-L244 PolarHBondContact O-N 3.07Å; I241-T245 WeakPolarHBondContact O-CG2 3.49Å
242	Y	95.6	Very high	92.4	Very high	4 Å²	4	67.9 Å²	67.9	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-58.3	-45.7	-179.4	-172.3	-109.2	0	0	0	112.2	R230 L236 N238 D239 I240 L244 T245 H247 S248 T251	R230-Y242 HydrophobicContact CB-CE2 4.29Å; R230-Y242 HydrophobicContact CG-CD2 4.2Å; R230-Y242 HydrophobicContact CG-CE2 3.95Å; R230-Y242 VanDerWaalsContact CZ-CG 3.46Å; L236-Y242 HydrophobicContact CB-CD2 3.96Å; L236-Y242 HydrophobicContact CB-CE2 4.47Å; L236-Y242 HydrophobicContact CD2-CD2 4.22Å; N238-Y242 VanDerWaalsContact O-CB 3.31Å; N238-Y242 WeakPolarHBondContact O-CB 3.49Å; N238-Y242 PolarHBondContact O-N 3.36Å; D239-Y242 PolarHBondContact O-N 3.41Å; I240-Y242 VanDerWaalsContact C-N 3.32Å; I240-Y242 PolarHBondContact O-N 3.21Å; Y242-L244 PolarHBondContact O-N 3.17Å; Y242-T245 WeakPolarHBondContact O-CB 3.26Å; Y242-T245 PolarHBondContact O-N 2.91Å; Y242-T245 PolarHBondContact O-OG1 3.31Å; Y242-H247 HydrophobicContact CE2-CB 3.87Å; Y242-S248 WeakPolarHBondContact O-CB 3.12Å; Y242-T251 PolarHBondContact OH-OG1 3.46Å
243	N	94.8	Very high	93.2	Very high	96 Å²	96	69 Å²	69	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-21.6	-177.6	-71.2	-16.2	0	0	0	113.6	D239 I240 I241 S248	D239-N243 VanDerWaalsContact O-CB 3.25Å; D239-N243 WeakPolarHBondContact O-CB 3.48Å; D239-N243 PolarHBondContact O-N 3.3Å; D239-N243 PolarHBondContact O-ND2 3.21Å; D239-N243 PolarHBondContact O-OD1 2.94Å; I240-N243 PolarHBondContact O-N 2.82Å; I241-N243 VanDerWaalsContact C-N 3.34Å; I241-N243 PolarHBondContact O-N 3.22Å; N243-S248 PolarHBondContact OD1-OG 3.02Å
244	L	95.1	Very high	93.8	Very high	138 Å²	138	66.5 Å²	66.5	72%	0.723	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.6	174.2	-61	174	0	0	0	113.2	I240 I241 Y242	I240-L244 WeakPolarHBondContact O-CG 3.42Å; I240-L244 PolarHBondContact O-N 2.89Å; I241-L244 PolarHBondContact O-N 3.07Å; Y242-L244 PolarHBondContact O-N 3.17Å
245	T	95.4	Very high	94.4	Very high	32 Å²	32	65.5 Å²	65.5	20%	0.196	33%	0.329	C	S	.	.	S	Bend	trans	-84.8	158.2	-176.9	71.3	0	0	0	0	113.4	L236 I241 Y242 H247 S248	L236-T245 HydrophobicContact CD2-CG2 3.97Å; I241-T245 WeakPolarHBondContact O-CG2 3.49Å; Y242-T245 WeakPolarHBondContact O-CB 3.26Å; Y242-T245 PolarHBondContact O-N 2.91Å; Y242-T245 PolarHBondContact O-OG1 3.31Å; T245-H247 PolarHBondContact O-N 3.3Å; T245-H247 WeakPolarHBondContact OG1-CB 2.95Å; T245-H247 PolarHBondContact OG1-N 3.31Å; T245-S248 PolarHBondContact O-N 2.9Å; T245-S248 PolarHBondContact OG1-N 3.09Å
246	S	95.2	Very high	95	Very high	63 Å²	63	65.4 Å²	65.4	44%	0.441	33%	0.33	S	S	.	.	H	α-helix	trans	-62.8	-26.7	167.4	59.1	0	0	0	0	112.8	R249 R250	S246-R249 PolarHBondContact O-N 3Å; S246-R250 WeakPolarHBondContact O-CG 3.25Å; S246-R250 PolarHBondContact O-N 3.1Å
247	H	93.6	Very high	95.3	Very high	56 Å²	56	67.3 Å²	67.3	26%	0.259	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-42.1	176.9	-75.8	-124.2	0	0	0	111.7	L226 Y242 T245 R250 T251	L226-H247 HydrophobicContact CD2-CB 4.26Å; Y242-H247 HydrophobicContact CE2-CB 3.87Å; T245-H247 PolarHBondContact O-N 3.3Å; T245-H247 WeakPolarHBondContact OG1-CB 2.95Å; T245-H247 PolarHBondContact OG1-N 3.31Å; H247-R250 PolarHBondContact O-N 2.97Å; H247-T251 WeakPolarHBondContact O-CB 3.46Å; H247-T251 PolarHBondContact O-N 3.35Å; H247-T251 PolarHBondContact O-OG1 2.67Å
248	S	95.6	Very high	95.6	Very high	4 Å²	4	66 Å²	66	3%	0.028	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-45.4	176.7	-179.9	0	0	0	0	111.7	Y242 N243 T245 R250 T251 N252	Y242-S248 WeakPolarHBondContact O-CB 3.12Å; N243-S248 PolarHBondContact OD1-OG 3.02Å; T245-S248 PolarHBondContact O-N 2.9Å; T245-S248 PolarHBondContact OG1-N 3.09Å; S248-R250 PolarHBondContact O-N 3.26Å; S248-T251 WeakPolarHBondContact O-CB 3.21Å; S248-T251 PolarHBondContact O-N 3.4Å; S248-T251 VanDerWaalsContact O-N 3.12Å; S248-N252 VanDerWaalsContact O-CG 3.32Å; S248-N252 PolarHBondContact O-N 2.68Å
249	R	96.4	Very high	95.9	Very high	161 Å²	161	64.6 Å²	64.6	61%	0.608	33%	0.325	S	S	*	.	H	α-helix	trans	-57.2	-46.6	176.1	-68	-166.8	-72.1	-96.1	5.5	112.6	S246 T251 N252 S253	S246-R249 PolarHBondContact O-N 3Å; R249-T251 VanDerWaalsContact C-N 3.35Å; R249-N252 PolarHBondContact O-N 3.26Å; R249-S253 PolarHBondContact O-N 3.42Å
250	R	97	Very high	96	Very high	135 Å²	135	65.7 Å²	65.7	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-64	-39.4	176.2	-69.6	175.6	64.9	-174.7	1	112.2	L226 S246 H247 S248 S253 A254	L226-R250 HydrophobicContact CD1-CB 3.78Å; L226-R250 HydrophobicContact CD2-CB 4.34Å; S246-R250 WeakPolarHBondContact O-CG 3.25Å; S246-R250 PolarHBondContact O-N 3.1Å; H247-R250 PolarHBondContact O-N 2.97Å; S248-R250 PolarHBondContact O-N 3.26Å; R250-S253 PolarHBondContact O-N 2.99Å; R250-A254 WeakPolarHBondContact O-CB 3.01Å; R250-A254 PolarHBondContact O-N 2.95Å
251	T	97	Very high	96	Very high	7 Å²	7	60.1 Å²	60.1	4%	0.043	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-47.7	177.1	-56	0	0	0	0	110.6	L223 Y242 H247 S248 R249 S253 A254 C255	L223-T251 HydrophobicContact CD2-CG2 3.95Å; Y242-T251 PolarHBondContact OH-OG1 3.46Å; H247-T251 WeakPolarHBondContact O-CB 3.46Å; H247-T251 PolarHBondContact O-N 3.35Å; H247-T251 PolarHBondContact O-OG1 2.67Å; S248-T251 WeakPolarHBondContact O-CB 3.21Å; S248-T251 PolarHBondContact O-N 3.4Å; S248-T251 VanDerWaalsContact O-N 3.12Å; R249-T251 VanDerWaalsContact C-N 3.35Å; T251-S253 PolarHBondContact O-N 2.62Å; T251-A254 PolarHBondContact O-N 2.7Å; T251-C255 WeakPolarHBondContact O-CB 3.03Å; T251-C255 PolarHBondContact O-N 3.29Å; T251-C255 PolarHBondContact O-SG 2.76Å
252	N	96.8	Very high	96.1	Very high	87 Å²	87	56 Å²	56	47%	0.465	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-42.4	-180	-67	-17.1	0	0	0	111.7	S248 R249 C255 Q256	S248-N252 VanDerWaalsContact O-CG 3.32Å; S248-N252 PolarHBondContact O-N 2.68Å; R249-N252 PolarHBondContact O-N 3.26Å; N252-C255 PolarHBondContact O-N 3.16Å; N252-Q256 WeakPolarHBondContact O-CB 3.37Å; N252-Q256 PolarHBondContact O-N 3.3Å
253	S	97.4	Very high	96	Very high	66 Å²	66	58.9 Å²	58.9	46%	0.462	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-44.8	175.5	177.1	0	0	0	0	112.1	R249 R250 T251 Q256 I257	R249-S253 PolarHBondContact O-N 3.42Å; R250-S253 PolarHBondContact O-N 2.99Å; T251-S253 PolarHBondContact O-N 2.62Å; S253-Q256 PolarHBondContact O-N 3.01Å; S253-I257 WeakPolarHBondContact O-CG1 3.35Å; S253-I257 PolarHBondContact O-N 3.01Å; S253-I257 VanDerWaalsContact O-N 3.15Å
254	A	97.7	Very high	96	Very high	3 Å²	3	61.1 Å²	61.1	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-37.8	177.2	0	0	0	0	0	112.4	A219 D222 L223 R250 T251 Q256 I257 A258	A219-A254 HydrophobicContact CB-CB 4.26Å; D222-A254 HydrophobicContact CB-CB 4.28Å; L223-A254 HydrophobicContact CD1-CB 4.2Å; L223-A254 HydrophobicContact CD2-CB 3.87Å; L223-A254 HydrophobicContact CG-CB 3.68Å; R250-A254 WeakPolarHBondContact O-CB 3.01Å; R250-A254 PolarHBondContact O-N 2.95Å; T251-A254 PolarHBondContact O-N 2.7Å; A254-Q256 VanDerWaalsContact C-N 3.33Å; A254-Q256 PolarHBondContact O-N 3.21Å; A254-I257 PolarHBondContact O-N 3.19Å; A254-A258 PolarHBondContact O-N 3.4Å
255	C	97.5	Very high	95.8	Very high	7 Å²	7	55.1 Å²	55.1	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-45.2	171.9	-75.3	0	0	0	0	111.2	L223 T251 N252 I257 A258 H259	L223-C255 VanDerWaalsContact CD2-SG 3.57Å; T251-C255 WeakPolarHBondContact O-CB 3.03Å; T251-C255 PolarHBondContact O-N 3.29Å; T251-C255 PolarHBondContact O-SG 2.76Å; N252-C255 PolarHBondContact O-N 3.16Å; C255-I257 PolarHBondContact O-N 3.26Å; C255-A258 WeakPolarHBondContact O-CB 3.43Å; C255-A258 PolarHBondContact O-N 2.96Å; C255-A258 VanDerWaalsContact O-N 3.17Å; C255-H259 VanDerWaalsContact O-CG 3.24Å; C255-H259 PolarHBondContact O-N 3.44Å; C255-H259 PolarHBondContact O-ND1 2.69Å
256	Q	97.4	Very high	95.7	Very high	113 Å²	113	54.3 Å²	54.3	53%	0.528	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-47.3	178.8	-178.8	-178.1	-12.9	0	0	111.3	N252 S253 A254 A258 H259 E260	N252-Q256 WeakPolarHBondContact O-CB 3.37Å; N252-Q256 PolarHBondContact O-N 3.3Å; S253-Q256 PolarHBondContact O-N 3.01Å; A254-Q256 VanDerWaalsContact C-N 3.33Å; A254-Q256 PolarHBondContact O-N 3.21Å; Q256-A258 VanDerWaalsContact C-N 3.29Å; Q256-A258 PolarHBondContact O-N 3.43Å; Q256-H259 PolarHBondContact O-N 2.92Å; Q256-E260 HydrophobicContact CG-CG 4.35Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.36Å; Q256-E260 PolarHBondContact NE2-OE1 3.42Å; Q256-E260 WeakPolarHBondContact O-CB 3.12Å; Q256-E260 VanDerWaalsContact O-CG 3.3Å; Q256-E260 WeakPolarHBondContact O-CG 3.09Å; Q256-E260 PolarHBondContact O-N 3.03Å
257	I	97	Very high	95.7	Very high	58 Å²	58	58.9 Å²	58.9	30%	0.297	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-41.2	176.8	-65.6	166.3	0	0	0	111	A215 A219 S253 A254 C255 H261	A215-I257 HydrophobicContact CB-CG2 4.12Å; A219-I257 HydrophobicContact CB-CB 3.96Å; A219-I257 HydrophobicContact CB-CG2 3.78Å; S253-I257 WeakPolarHBondContact O-CG1 3.35Å; S253-I257 PolarHBondContact O-N 3.01Å; S253-I257 VanDerWaalsContact O-N 3.15Å; A254-I257 PolarHBondContact O-N 3.19Å; C255-I257 PolarHBondContact O-N 3.26Å; I257-H261 PolarHBondContact O-N 3.42Å
258	A	96.9	Very high	95.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-45.3	177.2	0	0	0	0	0	111.9	Y216 L223 A254 C255 Q256 H261 T262	Y216-A258 HydrophobicContact CD2-CB 4.46Å; Y216-A258 HydrophobicContact CE2-CB 4.35Å; L223-A258 HydrophobicContact CD1-CB 4.2Å; A254-A258 PolarHBondContact O-N 3.4Å; C255-A258 WeakPolarHBondContact O-CB 3.43Å; C255-A258 PolarHBondContact O-N 2.96Å; C255-A258 VanDerWaalsContact O-N 3.17Å; Q256-A258 VanDerWaalsContact C-N 3.29Å; Q256-A258 PolarHBondContact O-N 3.43Å; A258-H261 WeakPolarHBondContact O-CB 3.46Å; A258-H261 PolarHBondContact O-N 2.9Å; A258-T262 PolarHBondContact O-N 2.72Å; A258-T262 VanDerWaalsContact O-N 3.17Å; A258-T262 PolarHBondContact O-OG1 2.86Å
259	H	96.8	Very high	95.4	Very high	46 Å²	46	61.3 Å²	61.3	21%	0.213	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-40.1	177.6	-64.7	159.7	0	0	0	112.6	P124 W125 C255 Q256 H261 T262 D263 D315	P124-H259 PolarHBondContact O-CE1 2.88Å; W125-H259 PolarHBondContact O-NE2 3.39Å; C255-H259 VanDerWaalsContact O-CG 3.24Å; C255-H259 PolarHBondContact O-N 3.44Å; C255-H259 PolarHBondContact O-ND1 2.69Å; Q256-H259 PolarHBondContact O-N 2.92Å; H259-H261 PolarHBondContact O-N 2.72Å; H259-T262 WeakPolarHBondContact CA-OG1 3.26Å; H259-T262 PolarHBondContact O-N 3.43Å; H259-T262 PolarHBondContact O-OG1 2.68Å; H259-D263 WeakPolarHBondContact O-CB 3.34Å; H259-D263 VanDerWaalsContact O-CG 3.29Å; H259-D263 PolarHBondContact O-N 2.92Å; H259-D315 IonicContact CD2-OD1 3.55Å; H259-D315 IonicContact CD2-OD2 3.7Å; H259-D315 PolarHBondContact CD2-OD2 3.01Å; H259-D315 VanDerWaalsContact CD2-OD2 3.26Å; H259-D315 IonicContact NE2-OD2 3.64Å; H259-D315 PolarHBondContact NE2-OD2 3.13Å
260	E	95.9	Very high	95.1	Very high	91 Å²	91	57.7 Å²	57.7	43%	0.425	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-31.6	175.7	-76.1	172.8	-173.8	0	0	112.4	Q256 R264	Q256-E260 HydrophobicContact CG-CG 4.35Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.36Å; Q256-E260 PolarHBondContact NE2-OE1 3.42Å; Q256-E260 WeakPolarHBondContact O-CB 3.12Å; Q256-E260 VanDerWaalsContact O-CG 3.3Å; Q256-E260 WeakPolarHBondContact O-CG 3.09Å; Q256-E260 PolarHBondContact O-N 3.03Å; E260-R264 WeakPolarHBondContact O-CB 3.3Å; E260-R264 WeakPolarHBondContact O-CG 3.48Å; E260-R264 PolarHBondContact O-N 3.24Å; E260-R264 PolarHBondContact O-NE 3.07Å
261	H	94.1	Very high	94.8	Very high	9 Å²	9	53.8 Å²	53.8	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-52.6	172.9	-177.1	83.2	0	0	0	110.9	S213 Y216 I257 A258 H259 R264 V265	S213-H261 PolarHBondContact OG-CE1 2.87Å; S213-H261 VanDerWaalsContact OG-CE1 3.29Å; Y216-H261 HydrophobicContact CD2-CB 3.71Å; Y216-H261 AromaticContact CD2-CD2 3.65Å; Y216-H261 AromaticContact CD2-CG 3.7Å; Y216-H261 HydrophobicContact CG-CB 4.24Å; Y216-H261 AromaticContact CG-CD2 3.86Å; Y216-H261 AromaticContact CG-CG 3.86Å; I257-H261 PolarHBondContact O-N 3.42Å; A258-H261 WeakPolarHBondContact O-CB 3.46Å; A258-H261 PolarHBondContact O-N 2.9Å; H259-H261 PolarHBondContact O-N 2.72Å; H261-R264 WeakPolarHBondContact O-CB 3.46Å; H261-R264 PolarHBondContact O-N 3Å; H261-V265 WeakPolarHBondContact O-CG2 3.42Å; H261-V265 PolarHBondContact O-N 3.28Å; H261-V265 VanDerWaalsContact O-N 3.11Å
262	T	94.2	Very high	94.4	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-68.7	-37.7	-177.4	51.9	0	0	0	0	113	A258 H259 R264 V265 V266 V314 D315 M318	A258-T262 PolarHBondContact O-N 2.72Å; A258-T262 VanDerWaalsContact O-N 3.17Å; A258-T262 PolarHBondContact O-OG1 2.86Å; H259-T262 WeakPolarHBondContact CA-OG1 3.26Å; H259-T262 PolarHBondContact O-N 3.43Å; H259-T262 PolarHBondContact O-OG1 2.68Å; T262-R264 VanDerWaalsContact C-N 3.32Å; T262-R264 PolarHBondContact O-N 2.84Å; T262-V265 PolarHBondContact O-N 3.45Å; T262-V266 WeakPolarHBondContact O-CG2 3.45Å; T262-V266 PolarHBondContact O-N 3.42Å; T262-V314 HydrophobicContact CG2-CG1 3.85Å; T262-D315 VanDerWaalsContact CB-OD1 3.23Å; T262-D315 WeakPolarHBondContact CB-OD1 3.24Å; T262-D315 WeakPolarHBondContact CG2-OD1 3.1Å; T262-D315 PolarHBondContact OG1-OD1 2.84Å; T262-M318 HydrophobicContact CG2-CB 4.34Å; T262-M318 HydrophobicContact CG2-CE 4.26Å; T262-M318 HydrophobicContact CG2-CG 4.45Å
263	D	94.6	Very high	93.9	Very high	64 Å²	64	52.6 Å²	52.6	34%	0.342	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-39.7	172.9	-77.1	-15.8	0	0	0	111.3	H259 V266 K267 R311	H259-D263 WeakPolarHBondContact O-CB 3.34Å; H259-D263 VanDerWaalsContact O-CG 3.29Å; H259-D263 PolarHBondContact O-N 2.92Å; D263-V266 PolarHBondContact O-N 3.48Å; D263-K267 VanDerWaalsContact O-CB 3.25Å; D263-K267 WeakPolarHBondContact O-CB 3.47Å; D263-K267 PolarHBondContact O-N 3.41Å; D263-R311 IonicContact OD1-CZ 3.02Å; D263-R311 IonicContact OD1-NE 3.27Å; D263-R311 PolarHBondContact OD1-NE 2.91Å; D263-R311 IonicContact OD1-NH2 3.45Å; D263-R311 PolarHBondContact OD1-NH2 3.14Å; D263-R311 VanDerWaalsContact OD1-NH2 3.16Å; D263-R311 IonicContact OD2-NE 2.65Å; D263-R311 IonicContact OD2-NH2 3.74Å
264	R	93.6	Very high	93.4	Very high	143 Å²	143	57 Å²	57	54%	0.54	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-44.1	173.3	-88.9	-174.5	-66.7	166.5	-1.9	112.1	E260 H261 T262 K267 L268	E260-R264 WeakPolarHBondContact O-CB 3.3Å; E260-R264 WeakPolarHBondContact O-CG 3.48Å; E260-R264 PolarHBondContact O-N 3.24Å; E260-R264 PolarHBondContact O-NE 3.07Å; H261-R264 WeakPolarHBondContact O-CB 3.46Å; H261-R264 PolarHBondContact O-N 3Å; T262-R264 VanDerWaalsContact C-N 3.32Å; T262-R264 PolarHBondContact O-N 2.84Å; R264-K267 PolarHBondContact O-N 3.16Å; R264-L268 VanDerWaalsContact O-CB 3.31Å; R264-L268 WeakPolarHBondContact O-CB 3.24Å; R264-L268 PolarHBondContact O-N 3.47Å
265	V	92.6	Very high	92.7	Very high	12 Å²	12	60.5 Å²	60.5	7%	0.073	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-47.8	178.2	172.9	0	0	0	0	110.7	M197 F201 H261 T262 L268 R269 L291 M318	M197-V265 HydrophobicContact CE-CG1 4.41Å; M197-V265 HydrophobicContact CE-CG2 3.47Å; M197-V265 VanDerWaalsContact CE-CG2 3.47Å; M197-V265 HydrophobicContact SD-CG1 4.46Å; M197-V265 HydrophobicContact SD-CG2 3.94Å; F201-V265 HydrophobicContact CB-CG1 3.67Å; F201-V265 HydrophobicContact CD1-CG1 3.99Å; F201-V265 HydrophobicContact CG-CG1 3.96Å; H261-V265 WeakPolarHBondContact O-CG2 3.42Å; H261-V265 PolarHBondContact O-N 3.28Å; H261-V265 VanDerWaalsContact O-N 3.11Å; T262-V265 PolarHBondContact O-N 3.45Å; V265-L268 PolarHBondContact O-N 2.91Å; V265-R269 PolarHBondContact O-N 2.86Å; V265-L291 HydrophobicContact CG1-CD2 4.27Å; V265-M318 HydrophobicContact CG2-CE 4.31Å
266	V	93.4	Very high	91.8	Very high	14 Å²	14	66.2 Å²	66.2	9%	0.085	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-45	177.5	174.4	0	0	0	0	111.2	T262 D263 R269 K270 L291 L310 V314	T262-V266 WeakPolarHBondContact O-CG2 3.45Å; T262-V266 PolarHBondContact O-N 3.42Å; D263-V266 PolarHBondContact O-N 3.48Å; V266-R269 PolarHBondContact O-N 3.4Å; V266-K270 HydrophobicContact CG1-CD 4.1Å; V266-K270 HydrophobicContact CG1-CG 4.38Å; V266-K270 WeakPolarHBondContact O-CB 3.23Å; V266-K270 WeakPolarHBondContact O-CG 3.18Å; V266-K270 PolarHBondContact O-N 3.02Å; V266-L291 HydrophobicContact CG2-CD1 4.19Å; V266-L310 HydrophobicContact CG1-CD2 4.01Å; V266-V314 HydrophobicContact CG2-CB 4.49Å; V266-V314 HydrophobicContact CG2-CG1 4.19Å; V266-V314 HydrophobicContact CG2-CG2 3.89Å
267	K	93.5	Very high	91.1	Very high	160 Å²	160	68.9 Å²	68.9	70%	0.696	33%	0.332	S	S	*	.	H	α-helix	trans	-62.7	-45.1	179.3	-175.3	178.2	179.2	-180	0	111.9	D263 R264 R269 K270 A271	D263-K267 VanDerWaalsContact O-CB 3.25Å; D263-K267 WeakPolarHBondContact O-CB 3.47Å; D263-K267 PolarHBondContact O-N 3.41Å; R264-K267 PolarHBondContact O-N 3.16Å; K267-R269 VanDerWaalsContact C-N 3.34Å; K267-R269 PolarHBondContact O-N 3.19Å; K267-K270 PolarHBondContact O-N 3.37Å; K267-A271 WeakPolarHBondContact O-CB 3.31Å; K267-A271 PolarHBondContact O-N 3.45Å
268	L	91.7	Very high	90.3	Very high	83 Å²	83	68.3 Å²	68.3	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-60.3	-45.5	177.3	-178.5	65	0	0	0	110.8	Y203 R264 V265 A271 Q272	Y203-L268 HydrophobicContact CD2-CD2 4.31Å; Y203-L268 HydrophobicContact CE2-CD2 4.18Å; R264-L268 VanDerWaalsContact O-CB 3.31Å; R264-L268 WeakPolarHBondContact O-CB 3.24Å; R264-L268 PolarHBondContact O-N 3.47Å; V265-L268 PolarHBondContact O-N 2.91Å; L268-A271 PolarHBondContact O-N 3.02Å; L268-Q272 WeakPolarHBondContact O-CG 3.43Å; L268-Q272 PolarHBondContact O-N 2.83Å
269	R	92	Very high	89.5	Confident	27 Å²	27	70.1 Å²	70.1	10%	0.102	34%	0.342	C	S	.	.	H	α-helix	trans	-65.3	-45.8	177.9	-173	60	176.6	172.7	-4.9	112.1	S202 V265 V266 K267 A271 Q272 L273 L291 D292 L295	S202-R269 VanDerWaalsContact CB-CZ 3.49Å; S202-R269 PolarHBondContact OG-NH2 3.4Å; V265-R269 PolarHBondContact O-N 2.86Å; V266-R269 PolarHBondContact O-N 3.4Å; K267-R269 VanDerWaalsContact C-N 3.34Å; K267-R269 PolarHBondContact O-N 3.19Å; R269-A271 VanDerWaalsContact C-N 3.26Å; R269-A271 PolarHBondContact O-N 3.02Å; R269-Q272 WeakPolarHBondContact O-CB 3.14Å; R269-Q272 PolarHBondContact O-N 2.7Å; R269-Q272 VanDerWaalsContact O-N 3.15Å; R269-L273 HydrophobicContact CG-CD1 4.37Å; R269-L273 WeakPolarHBondContact O-CG 3.31Å; R269-L273 PolarHBondContact O-N 2.71Å; R269-L291 HydrophobicContact CB-CD2 3.53Å; R269-L291 HydrophobicContact CB-CG 4.45Å; R269-L291 HydrophobicContact CG-CD2 3.63Å; R269-L291 HydrophobicContact CG-CG 4.12Å; R269-D292 IonicContact CZ-OD1 3.67Å; R269-D292 VanDerWaalsContact CZ-OD1 3.24Å; R269-D292 IonicContact CZ-OD2 3.66Å; R269-D292 IonicContact NE-OD1 2.71Å; R269-D292 PolarHBondContact NE-OD1 2.86Å; R269-D292 IonicContact NH2-OD1 3.97Å; R269-D292 PolarHBondContact NH2-OD1 3.11Å; R269-D292 IonicContact NH2-OD2 2.76Å; R269-D292 PolarHBondContact NH2-OD2 3.33Å; R269-L295 HydrophobicContact CB-CD1 4.42Å; R269-L295 HydrophobicContact CG-CD1 3.84Å
270	K	90.9	Very high	88.6	Confident	85 Å²	85	75.9 Å²	75.9	37%	0.37	37%	0.366	S	S	.	.	H	α-helix	trans	-56.2	-40.5	175.5	-76.9	-177.6	177.5	-178.7	0	111.5	V266 K267 L273 Q274 L295 D307	V266-K270 HydrophobicContact CG1-CD 4.1Å; V266-K270 HydrophobicContact CG1-CG 4.38Å; V266-K270 WeakPolarHBondContact O-CB 3.23Å; V266-K270 WeakPolarHBondContact O-CG 3.18Å; V266-K270 PolarHBondContact O-N 3.02Å; K267-K270 PolarHBondContact O-N 3.37Å; K270-L273 PolarHBondContact O-N 3.39Å; K270-Q274 PolarHBondContact O-N 3.49Å; K270-L295 HydrophobicContact CD-CD2 4.39Å; K270-L295 HydrophobicContact CG-CD1 4.31Å; K270-L295 HydrophobicContact CG-CD2 4Å; K270-D307 IonicContact NZ-OD1 3.76Å
271	A	91.1	Very high	88	Confident	54 Å²	54	79.7 Å²	79.7	45%	0.446	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-42.4	176.2	0	0	0	0	0	112.8	K267 L268 R269 L273 Q274	K267-A271 WeakPolarHBondContact O-CB 3.31Å; K267-A271 PolarHBondContact O-N 3.45Å; L268-A271 PolarHBondContact O-N 3.02Å; R269-A271 VanDerWaalsContact C-N 3.26Å; R269-A271 PolarHBondContact O-N 3.02Å; A271-L273 PolarHBondContact O-N 2.81Å; A271-Q274 WeakPolarHBondContact O-CB 3.35Å; A271-Q274 PolarHBondContact O-N 3.33Å; A271-Q274 VanDerWaalsContact O-N 3.08Å
272	Q	87.6	Confident	87.5	Confident	45 Å²	45	79.7 Å²	79.7	21%	0.21	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-34.3	173.8	-70.6	173.1	-10	0	0	112.3	L268 R269 Q274 D275 S278	L268-Q272 WeakPolarHBondContact O-CG 3.43Å; L268-Q272 PolarHBondContact O-N 2.83Å; R269-Q272 WeakPolarHBondContact O-CB 3.14Å; R269-Q272 PolarHBondContact O-N 2.7Å; R269-Q272 VanDerWaalsContact O-N 3.15Å; Q272-Q274 VanDerWaalsContact C-N 3.29Å; Q272-Q274 PolarHBondContact O-N 3.39Å; Q272-D275 PolarHBondContact O-N 3.03Å; Q272-S278 VanDerWaalsContact O-CB 3.3Å; Q272-S278 WeakPolarHBondContact O-CB 3.42Å
273	L	86.9	Confident	86.7	Confident	23 Å²	23	89.2 Å²	89.2	12%	0.12	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-1.7	177.7	-62.9	-175.2	0	0	0	114	R269 K270 A271 D275 M279 L282 L295	R269-L273 HydrophobicContact CG-CD1 4.37Å; R269-L273 WeakPolarHBondContact O-CG 3.31Å; R269-L273 PolarHBondContact O-N 2.71Å; K270-L273 PolarHBondContact O-N 3.39Å; A271-L273 PolarHBondContact O-N 2.81Å; L273-D275 VanDerWaalsContact C-N 3.32Å; L273-M279 HydrophobicContact CB-CG 4.33Å; L273-M279 HydrophobicContact CB-SD 3.74Å; L273-M279 HydrophobicContact CD1-SD 4.41Å; L273-M279 HydrophobicContact CD2-SD 3.88Å; L273-M279 HydrophobicContact CG-SD 4.2Å; L273-M279 WeakPolarHBondContact O-CG 3.47Å; L273-L282 HydrophobicContact CD1-CD2 4.12Å; L273-L282 HydrophobicContact CD2-CD2 3.52Å; L273-L282 HydrophobicContact CG-CD2 4.48Å; L273-L295 HydrophobicContact CD1-CD1 3.92Å
274	Q	85.4	Confident	85.8	Confident	160 Å²	160	89.4 Å²	89.4	75%	0.748	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-21.4	168.4	-70.2	177.4	-15.9	0	0	112	K270 A271 Q272 N276	K270-Q274 PolarHBondContact O-N 3.49Å; A271-Q274 WeakPolarHBondContact O-CB 3.35Å; A271-Q274 PolarHBondContact O-N 3.33Å; A271-Q274 VanDerWaalsContact O-N 3.08Å; Q272-Q274 VanDerWaalsContact C-N 3.29Å; Q272-Q274 PolarHBondContact O-N 3.39Å; Q274-N276 PolarHBondContact O-N 3.48Å
275	D	84.9	Confident	85.1	Confident	76 Å²	76	86.4 Å²	86.4	41%	0.406	43%	0.425	S	S	.	.	S	Bend	trans	-70.6	118.3	173.4	167.8	42.3	0	0	0	110.9	Q272 L273 K277 S278 M279	Q272-D275 PolarHBondContact O-N 3.03Å; L273-D275 VanDerWaalsContact C-N 3.32Å; D275-K277 PolarHBondContact O-N 2.86Å; D275-K277 VanDerWaalsContact O-N 3.17Å; D275-K277 PolarHBondContact OD1-N 3.17Å; D275-K277 WeakPolarHBondContact OD2-CB 3.4Å; D275-S278 WeakPolarHBondContact O-CB 3.4Å; D275-S278 PolarHBondContact O-N 3.32Å; D275-S278 VanDerWaalsContact O-N 3.09Å; D275-S278 WeakPolarHBondContact OD2-CB 3.47Å; D275-S278 PolarHBondContact OD2-N 3.23Å; D275-S278 PolarHBondContact OD2-OG 3.17Å; D275-M279 PolarHBondContact O-N 3.37Å
276	N	77.6	Confident	84.2	Confident	126 Å²	126	96.8 Å²	96.8	67%	0.674	46%	0.463	S	S	*	.	H	α-helix	trans	-56.2	-33.1	-179.9	-83.9	-31.8	0	0	0	112.7	Q274 K280	Q274-N276 PolarHBondContact O-N 3.48Å; N276-K280 WeakPolarHBondContact O-CB 3.45Å; N276-K280 WeakPolarHBondContact O-CG 3.38Å; N276-K280 PolarHBondContact O-N 3.18Å
277	K	82.1	Confident	83.3	Confident	170 Å²	170	97.5 Å²	97.5	74%	0.739	47%	0.469	S	S	*	.	H	α-helix	trans	-69	-45.4	178.2	-174.6	179.7	-179.1	179.7	0	110.6	D275 K280 K281	D275-K277 PolarHBondContact O-N 2.86Å; D275-K277 VanDerWaalsContact O-N 3.17Å; D275-K277 PolarHBondContact OD1-N 3.17Å; D275-K277 WeakPolarHBondContact OD2-CB 3.4Å; K277-K280 PolarHBondContact O-N 3.44Å; K277-K281 WeakPolarHBondContact O-CB 3.4Å; K277-K281 PolarHBondContact O-N 3.46Å
278	S	80.1	Confident	82.9	Confident	46 Å²	46	92 Å²	92	32%	0.322	45%	0.446	S	S	.	.	H	α-helix	trans	-61.8	-42.8	175.3	-63.6	0	0	0	0	112.2	Q272 D275 K281 L282	Q272-S278 VanDerWaalsContact O-CB 3.3Å; Q272-S278 WeakPolarHBondContact O-CB 3.42Å; D275-S278 WeakPolarHBondContact O-CB 3.4Å; D275-S278 PolarHBondContact O-N 3.32Å; D275-S278 VanDerWaalsContact O-N 3.09Å; D275-S278 WeakPolarHBondContact OD2-CB 3.47Å; D275-S278 PolarHBondContact OD2-N 3.23Å; D275-S278 PolarHBondContact OD2-OG 3.17Å; S278-K281 PolarHBondContact O-N 3.25Å; S278-L282 WeakPolarHBondContact O-CB 3.49Å; S278-L282 PolarHBondContact O-N 3.25Å
279	M	80.1	Confident	82.7	Confident	38 Å²	38	88.4 Å²	88.4	19%	0.187	43%	0.428	C	S	.	.	H	α-helix	trans	-65.9	-41.9	175.8	-80.1	-64	-74.9	0	0	113.8	L273 D275 K281 L282 R283 L296	L273-M279 HydrophobicContact CB-CG 4.33Å; L273-M279 HydrophobicContact CB-SD 3.74Å; L273-M279 HydrophobicContact CD1-SD 4.41Å; L273-M279 HydrophobicContact CD2-SD 3.88Å; L273-M279 HydrophobicContact CG-SD 4.2Å; L273-M279 WeakPolarHBondContact O-CG 3.47Å; D275-M279 PolarHBondContact O-N 3.37Å; M279-K281 VanDerWaalsContact C-N 3.34Å; M279-L282 PolarHBondContact O-N 3.31Å; M279-L282 HydrophobicContact SD-CD2 4.48Å; M279-R283 WeakPolarHBondContact O-CG 3.45Å; M279-R283 PolarHBondContact O-N 2.84Å; M279-L296 HydrophobicContact CE-CD2 4.07Å
280	K	79.6	Confident	82.8	Confident	166 Å²	166	87.3 Å²	87.3	72%	0.722	42%	0.424	S	S	*	.	H	α-helix	trans	-61.9	-43.6	174.3	-78.4	-178.8	179.1	-176.6	0	111.1	N276 K277 L282 R283 G284	N276-K280 WeakPolarHBondContact O-CB 3.45Å; N276-K280 WeakPolarHBondContact O-CG 3.38Å; N276-K280 PolarHBondContact O-N 3.18Å; K277-K280 PolarHBondContact O-N 3.44Å; K280-L282 VanDerWaalsContact C-N 3.32Å; K280-L282 PolarHBondContact O-N 3.26Å; K280-R283 PolarHBondContact O-N 3.36Å; K280-G284 PolarHBondContact O-N 2.87Å; K280-G284 VanDerWaalsContact O-N 3.13Å
281	K	82.9	Confident	82.9	Confident	171 Å²	171	83.3 Å²	83.3	74%	0.743	41%	0.406	S	S	*	.	H	α-helix	trans	-60.8	-42.3	175.6	-172.7	179	-179	-178.7	0	111.5	K277 S278 M279 G284 K285	K277-K281 WeakPolarHBondContact O-CB 3.4Å; K277-K281 PolarHBondContact O-N 3.46Å; S278-K281 PolarHBondContact O-N 3.25Å; M279-K281 VanDerWaalsContact C-N 3.34Å; K281-G284 PolarHBondContact O-N 2.89Å; K281-K285 PolarHBondContact O-N 3.35Å
282	L	82.5	Confident	82.9	Confident	9 Å²	9	80.7 Å²	80.7	5%	0.047	39%	0.385	C	S	.	.	H	α-helix	trans	-66.3	-43.6	179.4	-172.7	62.3	0	0	0	112.2	L273 S278 M279 K280 G284 K285 L288 D292 L296	L273-L282 HydrophobicContact CD1-CD2 4.12Å; L273-L282 HydrophobicContact CD2-CD2 3.52Å; L273-L282 HydrophobicContact CG-CD2 4.48Å; S278-L282 WeakPolarHBondContact O-CB 3.49Å; S278-L282 PolarHBondContact O-N 3.25Å; M279-L282 PolarHBondContact O-N 3.31Å; M279-L282 HydrophobicContact SD-CD2 4.48Å; K280-L282 VanDerWaalsContact C-N 3.32Å; K280-L282 PolarHBondContact O-N 3.26Å; L282-G284 PolarHBondContact O-N 3.44Å; L282-K285 HydrophobicContact CD1-CD 4.5Å; L282-K285 VanDerWaalsContact O-CB 3.23Å; L282-K285 WeakPolarHBondContact O-CB 3.34Å; L282-K285 PolarHBondContact O-N 3.35Å; L282-L288 HydrophobicContact CD1-CD2 3.46Å; L282-L288 VanDerWaalsContact CD1-CD2 3.46Å; L282-L288 HydrophobicContact CG-CD2 3.8Å; L282-D292 HydrophobicContact CD1-CB 4.18Å; L282-D292 VanDerWaalsContact CD1-OD2 3.23Å; L282-D292 WeakPolarHBondContact CD1-OD2 3.49Å; L282-D292 HydrophobicContact CD2-CB 4.25Å; L282-L296 HydrophobicContact CD2-CD1 3.58Å; L282-L296 HydrophobicContact CD2-CG 4.38Å; L282-L296 HydrophobicContact CG-CD1 3.98Å
283	R	77.2	Confident	83.1	Confident	202 Å²	202	79 Å²	79	76%	0.762	38%	0.377	S	S	*	.	H	α-helix	trans	-64.2	-27.3	176.1	-73.4	-178	177.4	-172.7	0.4	113.4	M279 K280 K285	M279-R283 WeakPolarHBondContact O-CG 3.45Å; M279-R283 PolarHBondContact O-N 2.84Å; K280-R283 PolarHBondContact O-N 3.36Å; R283-K285 VanDerWaalsContact C-N 3.33Å
284	G	76.1	Confident	83.4	Confident	68 Å²	68	78.2 Å²	78.2	70%	0.701	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.6	172.4	0	0	0	0	0	114	K280 K281 L282 R286	K280-G284 PolarHBondContact O-N 2.87Å; K280-G284 VanDerWaalsContact O-N 3.13Å; K281-G284 PolarHBondContact O-N 2.89Å; L282-G284 PolarHBondContact O-N 3.44Å; G284-R286 PolarHBondContact O-N 3.39Å
285	K	79.9	Confident	83.7	Confident	79 Å²	79	72.3 Å²	72.3	34%	0.343	35%	0.347	S	S	.	.			trans	-76.8	118.5	-179.5	-158.8	-177.3	178.3	-170.5	0	108.8	Y157 K281 L282 R283 C287 D289	Y157-K285 PolarHBondContact OH-NZ 2.96Å; K281-K285 PolarHBondContact O-N 3.35Å; L282-K285 HydrophobicContact CD1-CD 4.5Å; L282-K285 VanDerWaalsContact O-CB 3.23Å; L282-K285 WeakPolarHBondContact O-CB 3.34Å; L282-K285 PolarHBondContact O-N 3.35Å; R283-K285 VanDerWaalsContact C-N 3.33Å; K285-C287 WeakPolarHBondContact CD-O 3.3Å; K285-C287 WeakPolarHBondContact CE-O 3.43Å; K285-C287 VanDerWaalsContact CG-O 3.23Å; K285-C287 WeakPolarHBondContact CG-O 3.47Å; K285-C287 PolarHBondContact O-N 3.07Å; K285-D289 IonicContact NZ-OD1 2.82Å; K285-D289 PolarHBondContact NZ-OD1 3.49Å; K285-D289 IonicContact NZ-OD2 3.22Å
286	R	72.6	Confident	83.7	Confident	230 Å²	230	71.6 Å²	71.6	87%	0.868	34%	0.342	S	S	*	.	S	Bend	trans	-60.3	-28	176.7	-174.6	176.4	174.6	-178.1	-2.9	112.9	G284	G284-R286 PolarHBondContact O-N 3.39Å
287	C	74.4	Confident	83.9	Confident	30 Å²	30	67.1 Å²	67.1	20%	0.203	32%	0.321	C	S	.	.	S	Bend	trans	-129.4	112.3	-173.8	-70.7	0	0	0	0	109.9	I153 K285	I153-C287 HydrophobicContact CD1-CB 3.76Å; I153-C287 HydrophobicContact CG1-CB 3.7Å; K285-C287 WeakPolarHBondContact CD-O 3.3Å; K285-C287 WeakPolarHBondContact CE-O 3.43Å; K285-C287 VanDerWaalsContact CG-O 3.23Å; K285-C287 WeakPolarHBondContact CG-O 3.47Å; K285-C287 PolarHBondContact O-N 3.07Å
288	L	85.6	Confident	83.8	Confident	43 Å²	43	66.5 Å²	66.5	23%	0.225	31%	0.314	C	S	.	.			trans	-87.8	147.8	179.2	-63	176.5	0	0	0	111.3	I153 L282 D292 I293 L296	I153-L288 VanDerWaalsContact CD1-O 3.25Å; I153-L288 WeakPolarHBondContact CD1-O 3.08Å; L282-L288 HydrophobicContact CD1-CD2 3.46Å; L282-L288 VanDerWaalsContact CD1-CD2 3.46Å; L282-L288 HydrophobicContact CG-CD2 3.8Å; L288-D292 HydrophobicContact CB-CB 4.17Å; L288-D292 HydrophobicContact CD2-CB 4.4Å; L288-I293 HydrophobicContact CB-CD1 4.39Å; L288-I293 HydrophobicContact CB-CG1 3.64Å; L288-I293 HydrophobicContact CD1-CG1 4.46Å; L288-L296 HydrophobicContact CD1-CD1 3.88Å; L288-L296 HydrophobicContact CD2-CD1 4.16Å
289	D	88.4	Confident	83.7	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.043	31%	0.305	C	S	.	.			trans	-77.7	163.5	177.2	-56.9	0	0	0	0	109	Y157 S202 K285 L291 D292 I293	Y157-D289 PolarHBondContact OH-OD1 2.97Å; Y157-D289 PolarHBondContact OH-OD2 3.45Å; S202-D289 PolarHBondContact OG-OD2 3.38Å; K285-D289 IonicContact NZ-OD1 2.82Å; K285-D289 PolarHBondContact NZ-OD1 3.49Å; K285-D289 IonicContact NZ-OD2 3.22Å; D289-L291 PolarHBondContact O-N 3.15Å; D289-D292 PolarHBondContact O-N 3.46Å; D289-I293 WeakPolarHBondContact O-CG1 3.28Å; D289-I293 PolarHBondContact O-N 3.12Å
290	F	92.8	Very high	83.6	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.022	32%	0.323	C	S	.	.	H	α-helix	trans	-52.9	-49.3	-176.7	174.3	-93.4	0	0	0	113.5	L145 A148 F149 A200 F201 D292 I293 L294 E313 L317	L145-F290 HydrophobicContact CB-CE2 4.38Å; L145-F290 HydrophobicContact CD1-CE2 3.85Å; L145-F290 HydrophobicContact CD1-CZ 4.35Å; L145-F290 HydrophobicContact CD2-CD2 3.7Å; L145-F290 HydrophobicContact CD2-CE2 3.33Å; L145-F290 HydrophobicContact CD2-CZ 4.04Å; L145-F290 HydrophobicContact CG-CE2 4.02Å; A148-F290 HydrophobicContact CB-CB 4.13Å; A148-F290 HydrophobicContact CB-CD2 4.29Å; F149-F290 HydrophobicContact CE2-CD2 4.21Å; F149-F290 HydrophobicContact CZ-CD2 4.27Å; A200-F290 HydrophobicContact CB-CB 3.89Å; F201-F290 HydrophobicContact CE1-CD1 4.23Å; F201-F290 HydrophobicContact CE1-CE1 4.36Å; F290-D292 VanDerWaalsContact C-N 3.33Å; F290-D292 PolarHBondContact O-N 3.42Å; F290-I293 WeakPolarHBondContact O-CB 3.41Å; F290-I293 PolarHBondContact O-N 3.05Å; F290-L294 HydrophobicContact CD1-CD1 3.79Å; F290-L294 HydrophobicContact CD1-CG 4.49Å; F290-L294 HydrophobicContact CE1-CD1 3.24Å; F290-L294 HydrophobicContact CE1-CG 4.21Å; F290-L294 HydrophobicContact CZ-CD1 3.67Å; F290-L294 HydrophobicContact CZ-CG 4.38Å; F290-L294 WeakPolarHBondContact O-CG 3.47Å; F290-L294 PolarHBondContact O-N 3.3Å; F290-E313 HydrophobicContact CZ-CB 4.13Å; F290-L317 HydrophobicContact CB-CD2 3.83Å; F290-L317 HydrophobicContact CD1-CB 4.41Å; F290-L317 HydrophobicContact CD1-CD2 3.24Å; F290-L317 HydrophobicContact CD1-CG 4.42Å; F290-L317 HydrophobicContact CD2-CD2 3.47Å; F290-L317 VanDerWaalsContact CD2-CD2 3.47Å; F290-L317 HydrophobicContact CE1-CB 3.74Å; F290-L317 HydrophobicContact CE1-CD2 3.45Å; F290-L317 VanDerWaalsContact CE1-CD2 3.45Å; F290-L317 HydrophobicContact CE1-CG 4.22Å; F290-L317 HydrophobicContact CE2-CB 4.26Å; F290-L317 HydrophobicContact CE2-CD2 3.66Å; F290-L317 HydrophobicContact CE2-CG 4.45Å; F290-L317 HydrophobicContact CG-CD2 3.23Å; F290-L317 HydrophobicContact CZ-CB 3.65Å; F290-L317 HydrophobicContact CZ-CD2 3.65Å; F290-L317 HydrophobicContact CZ-CG 4.24Å
291	L	93.7	Very high	83.7	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-36.4	179.3	-179	58.2	0	0	0	111.6	A200 F201 V265 V266 R269 D289 I293 L294 L295 V314	A200-L291 WeakPolarHBondContact O-CB 3.2Å; A200-L291 PolarHBondContact O-N 3.12Å; F201-L291 HydrophobicContact CB-CD2 4.35Å; F201-L291 HydrophobicContact CD1-CB 4Å; F201-L291 HydrophobicContact CD1-CD2 4.06Å; F201-L291 HydrophobicContact CD1-CG 4.46Å; V265-L291 HydrophobicContact CG1-CD2 4.27Å; V266-L291 HydrophobicContact CG2-CD1 4.19Å; R269-L291 HydrophobicContact CB-CD2 3.53Å; R269-L291 HydrophobicContact CB-CG 4.45Å; R269-L291 HydrophobicContact CG-CD2 3.63Å; R269-L291 HydrophobicContact CG-CG 4.12Å; D289-L291 PolarHBondContact O-N 3.15Å; L291-I293 VanDerWaalsContact C-N 3.35Å; L291-L294 PolarHBondContact O-N 3.21Å; L291-L295 HydrophobicContact CD1-CD1 4.18Å; L291-L295 HydrophobicContact CD1-CG 4.13Å; L291-L295 HydrophobicContact CG-CD1 3.99Å; L291-L295 HydrophobicContact CG-CG 4.37Å; L291-L295 WeakPolarHBondContact O-CB 3.14Å; L291-L295 VanDerWaalsContact O-CG 3.25Å; L291-L295 WeakPolarHBondContact O-CG 3.39Å; L291-L295 PolarHBondContact O-N 3.33Å; L291-V314 HydrophobicContact CD1-CG2 3.98Å
292	D	91.8	Very high	83.5	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-39.4	176.6	-67.6	-28.5	0	0	0	111.4	R269 L282 L288 D289 F290 L294 L295 L296	R269-D292 IonicContact CZ-OD1 3.67Å; R269-D292 VanDerWaalsContact CZ-OD1 3.24Å; R269-D292 IonicContact CZ-OD2 3.66Å; R269-D292 IonicContact NE-OD1 2.71Å; R269-D292 PolarHBondContact NE-OD1 2.86Å; R269-D292 IonicContact NH2-OD1 3.97Å; R269-D292 PolarHBondContact NH2-OD1 3.11Å; R269-D292 IonicContact NH2-OD2 2.76Å; R269-D292 PolarHBondContact NH2-OD2 3.33Å; L282-D292 HydrophobicContact CD1-CB 4.18Å; L282-D292 VanDerWaalsContact CD1-OD2 3.23Å; L282-D292 WeakPolarHBondContact CD1-OD2 3.49Å; L282-D292 HydrophobicContact CD2-CB 4.25Å; L288-D292 HydrophobicContact CB-CB 4.17Å; L288-D292 HydrophobicContact CD2-CB 4.4Å; D289-D292 PolarHBondContact O-N 3.46Å; F290-D292 VanDerWaalsContact C-N 3.33Å; F290-D292 PolarHBondContact O-N 3.42Å; D292-L294 VanDerWaalsContact C-N 3.35Å; D292-L295 PolarHBondContact O-N 2.93Å; D292-L296 VanDerWaalsContact O-CB 3.26Å; D292-L296 WeakPolarHBondContact O-CB 3.28Å; D292-L296 VanDerWaalsContact O-CG 3.29Å; D292-L296 WeakPolarHBondContact O-CG 3.4Å; D292-L296 PolarHBondContact O-N 2.84Å
293	I	91.5	Very high	83.5	Confident	9 Å²	9	63 Å²	63	5%	0.046	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-48.4	172.5	-69.9	173.8	0	0	0	109.9	L144 L145 P147 A148 L288 D289 F290 L291 L295 L296 S297	L144-I293 HydrophobicContact CD1-CG2 4.46Å; L144-I293 HydrophobicContact CG-CG2 4.15Å; L144-I293 WeakPolarHBondContact O-CG2 3.19Å; L145-I293 HydrophobicContact CD2-CG2 4.5Å; P147-I293 HydrophobicContact CB-CD1 4.31Å; A148-I293 HydrophobicContact CB-CD1 3.84Å; L288-I293 HydrophobicContact CB-CD1 4.39Å; L288-I293 HydrophobicContact CB-CG1 3.64Å; L288-I293 HydrophobicContact CD1-CG1 4.46Å; D289-I293 WeakPolarHBondContact O-CG1 3.28Å; D289-I293 PolarHBondContact O-N 3.12Å; F290-I293 WeakPolarHBondContact O-CB 3.41Å; F290-I293 PolarHBondContact O-N 3.05Å; L291-I293 VanDerWaalsContact C-N 3.35Å; I293-L295 VanDerWaalsContact C-N 3.3Å; I293-L295 PolarHBondContact O-N 3.12Å; I293-L296 PolarHBondContact O-N 3.34Å; I293-S297 WeakPolarHBondContact O-CB 3.46Å; I293-S297 PolarHBondContact O-N 3.48Å; I293-S297 PolarHBondContact O-OG 2.94Å
294	L	92.6	Very high	83.9	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-36.8	179.3	-73.1	175.6	0	0	0	113.1	L145 F290 L291 D292 L305 L310 E313 V314	L145-L294 HydrophobicContact CD2-CD2 3.67Å; L145-L294 HydrophobicContact CD2-CG 4.01Å; F290-L294 HydrophobicContact CD1-CD1 3.79Å; F290-L294 HydrophobicContact CD1-CG 4.49Å; F290-L294 HydrophobicContact CE1-CD1 3.24Å; F290-L294 HydrophobicContact CE1-CG 4.21Å; F290-L294 HydrophobicContact CZ-CD1 3.67Å; F290-L294 HydrophobicContact CZ-CG 4.38Å; F290-L294 WeakPolarHBondContact O-CG 3.47Å; F290-L294 PolarHBondContact O-N 3.3Å; L291-L294 PolarHBondContact O-N 3.21Å; D292-L294 VanDerWaalsContact C-N 3.35Å; L294-L305 HydrophobicContact CB-CD1 4.49Å; L294-L305 HydrophobicContact CD2-CD1 3.35Å; L294-L310 HydrophobicContact CB-CD1 3.54Å; L294-L310 HydrophobicContact CD1-CD1 4.05Å; L294-L310 HydrophobicContact CG-CD1 4.32Å; L294-E313 HydrophobicContact CD1-CB 3.83Å; L294-E313 HydrophobicContact CD2-CB 3.93Å; L294-E313 HydrophobicContact CD2-CG 4.08Å; L294-V314 HydrophobicContact CD1-CG2 4.03Å
295	L	90.7	Very high	84.4	Confident	37 Å²	37	54.2 Å²	54.2	19%	0.194	28%	0.28	C	S	.	.	H	α-helix	trans	-80.4	-32.2	-178.2	-68.8	175.8	0	0	0	113.5	R269 K270 L273 L291 D292 I293 L310	R269-L295 HydrophobicContact CB-CD1 4.42Å; R269-L295 HydrophobicContact CG-CD1 3.84Å; K270-L295 HydrophobicContact CD-CD2 4.39Å; K270-L295 HydrophobicContact CG-CD1 4.31Å; K270-L295 HydrophobicContact CG-CD2 4Å; L273-L295 HydrophobicContact CD1-CD1 3.92Å; L291-L295 HydrophobicContact CD1-CD1 4.18Å; L291-L295 HydrophobicContact CD1-CG 4.13Å; L291-L295 HydrophobicContact CG-CD1 3.99Å; L291-L295 HydrophobicContact CG-CG 4.37Å; L291-L295 WeakPolarHBondContact O-CB 3.14Å; L291-L295 VanDerWaalsContact O-CG 3.25Å; L291-L295 WeakPolarHBondContact O-CG 3.39Å; L291-L295 PolarHBondContact O-N 3.33Å; D292-L295 PolarHBondContact O-N 2.93Å; I293-L295 VanDerWaalsContact C-N 3.3Å; I293-L295 PolarHBondContact O-N 3.12Å; L295-L310 HydrophobicContact CD2-CD1 4.29Å; L295-L310 HydrophobicContact CD2-CD2 3.96Å
296	L	85.7	Confident	84.9	Confident	61 Å²	61	53.8 Å²	53.8	32%	0.319	29%	0.287	S	S	.	.	H	α-helix	trans	-98.2	-25.5	-173.8	-65	179.9	0	0	0	114.1	M279 L282 L288 D292 I293	M279-L296 HydrophobicContact CE-CD2 4.07Å; L282-L296 HydrophobicContact CD2-CD1 3.58Å; L282-L296 HydrophobicContact CD2-CG 4.38Å; L282-L296 HydrophobicContact CG-CD1 3.98Å; L288-L296 HydrophobicContact CD1-CD1 3.88Å; L288-L296 HydrophobicContact CD2-CD1 4.16Å; D292-L296 VanDerWaalsContact O-CB 3.26Å; D292-L296 WeakPolarHBondContact O-CB 3.28Å; D292-L296 VanDerWaalsContact O-CG 3.29Å; D292-L296 WeakPolarHBondContact O-CG 3.4Å; D292-L296 PolarHBondContact O-N 2.84Å; I293-L296 PolarHBondContact O-N 3.34Å
297	S	82.5	Confident	85.8	Confident	31 Å²	31	47.9 Å²	47.9	22%	0.217	27%	0.272	C	S	.	.			trans	-76.6	153.2	-171.8	-55.2	0	0	0	0	112.6	I293	I293-S297 WeakPolarHBondContact O-CB 3.46Å; I293-S297 PolarHBondContact O-N 3.48Å; I293-S297 PolarHBondContact O-OG 2.94Å
298	R	79.2	Confident	86.6	Confident	158 Å²	158	53.5 Å²	53.5	60%	0.596	29%	0.293	S	S	*	.			trans	-105.7	146.3	169.8	-59.9	-54.1	-166.6	-149.8	3.5	109.9	G302 S303	R298-G302 WeakPolarHBondContact CD-O 3.01Å; R298-S303 CarbonylContact C-O 3.54Å; R298-S303 WeakPolarHBondContact CA-O 3.36Å
299	M	79.1	Confident	86.9	Confident	28 Å²	28	52.2 Å²	52.2	14%	0.138	29%	0.289	C	S	.	.			trans	-72.9	172	168.3	-60.2	-57.8	-72.2	0	0	110	Q140 L144 D301 G302 S303 L305	Q140-M299 HydrophobicContact CB-CE 4.23Å; L144-M299 HydrophobicContact CD2-SD 4.4Å; M299-D301 WeakPolarHBondContact CB-OD1 3.16Å; M299-D301 PolarHBondContact O-N 3.05Å; M299-G302 WeakPolarHBondContact O-CA 3.44Å; M299-G302 PolarHBondContact O-N 2.88Å; M299-S303 PolarHBondContact N-O 3.15Å; M299-L305 HydrophobicContact CE-CD2 4.22Å; M299-L305 HydrophobicContact CG-CD2 4.37Å; M299-L305 HydrophobicContact SD-CD2 3.52Å; M299-L305 VanDerWaalsContact SD-CD2 3.52Å; M299-L305 HydrophobicContact SD-CG 3.96Å
300	D	76.7	Confident	87.1	Confident	104 Å²	104	52.3 Å²	52.3	56%	0.556	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.3	-176.3	-68.3	-1.8	0	0	0	113.1	Q140 R143 G302	Q140-D300 PolarHBondContact NE2-OD2 3.3Å; R143-D300 IonicContact CZ-OD1 3.18Å; R143-D300 IonicContact CZ-OD2 3.88Å; R143-D300 IonicContact NH2-OD1 3.8Å; R143-D300 PolarHBondContact NH2-OD1 3.44Å; R143-D300 IonicContact NH2-OD2 2.64Å; R143-D300 PolarHBondContact NH2-OD2 3.03Å; D300-G302 VanDerWaalsContact C-N 3.28Å
301	D	81.9	Confident	87.2	Confident	127 Å²	127	55.9 Å²	55.9	68%	0.679	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	2.9	174.5	67.9	-5.1	0	0	0	113.6	M299 S303	M299-D301 WeakPolarHBondContact CB-OD1 3.16Å; M299-D301 PolarHBondContact O-N 3.05Å; D301-S303 VanDerWaalsContact C-N 3.27Å; D301-S303 VanDerWaalsContact CG-OG 3.28Å; D301-S303 PolarHBondContact O-N 3.47Å; D301-S303 WeakPolarHBondContact OD1-CB 3.48Å; D301-S303 PolarHBondContact OD1-N 3.14Å; D301-S303 PolarHBondContact OD1-OG 3.18Å; D301-S303 PolarHBondContact OD2-OG 3.05Å
302	G	79.6	Confident	87.3	Confident	46 Å²	46	56 Å²	56	47%	0.474	30%	0.304	S	S	.	.	S	Bend	trans	81.5	-4.1	-176.8	0	0	0	0	0	114.8	R298 M299 D300	R298-G302 WeakPolarHBondContact CD-O 3.01Å; M299-G302 WeakPolarHBondContact O-CA 3.44Å; M299-G302 PolarHBondContact O-N 2.88Å; D300-G302 VanDerWaalsContact C-N 3.28Å
303	S	82	Confident	87.5	Confident	51 Å²	51	56.1 Å²	56.1	36%	0.357	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-74.7	159.9	177.4	73.2	0	0	0	0	112.1	R298 M299 D301	R298-S303 CarbonylContact C-O 3.54Å; R298-S303 WeakPolarHBondContact CA-O 3.36Å; M299-S303 PolarHBondContact N-O 3.15Å; D301-S303 VanDerWaalsContact C-N 3.27Å; D301-S303 VanDerWaalsContact CG-OG 3.28Å; D301-S303 PolarHBondContact O-N 3.47Å; D301-S303 WeakPolarHBondContact OD1-CB 3.48Å; D301-S303 PolarHBondContact OD1-N 3.14Å; D301-S303 PolarHBondContact OD1-OG 3.18Å; D301-S303 PolarHBondContact OD2-OG 3.05Å
304	S	84.6	Confident	87.8	Confident	68 Å²	68	55.7 Å²	55.7	48%	0.476	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-82.5	156.5	165.6	53.2	0	0	0	0	110.7	S306	S304-S306 PolarHBondContact O-N 2.99Å
305	L	87.2	Confident	87.9	Confident	17 Å²	17	55.7 Å²	55.7	9%	0.089	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-52.7	134.4	167	-74.3	169.1	0	0	0	110.6	L144 L294 M299 A309	L144-L305 HydrophobicContact CD2-CD1 3.85Å; L144-L305 HydrophobicContact CD2-CG 4.44Å; L294-L305 HydrophobicContact CB-CD1 4.49Å; L294-L305 HydrophobicContact CD2-CD1 3.35Å; M299-L305 HydrophobicContact CE-CD2 4.22Å; M299-L305 HydrophobicContact CG-CD2 4.37Å; M299-L305 HydrophobicContact SD-CD2 3.52Å; M299-L305 VanDerWaalsContact SD-CD2 3.52Å; M299-L305 HydrophobicContact SD-CG 3.96Å; L305-A309 HydrophobicContact CD2-CB 4.06Å
306	S	90.5	Very high	88.1	Confident	70 Å²	70	54 Å²	54	49%	0.49	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-60.6	151.8	172	70.2	0	0	0	0	110.5	S304 K308 A309 L310	S304-S306 PolarHBondContact O-N 2.99Å; S306-K308 PolarHBondContact O-N 2.85Å; S306-K308 VanDerWaalsContact O-N 3.09Å; S306-A309 PolarHBondContact O-N 2.92Å; S306-A309 WeakPolarHBondContact OG-CB 3.4Å; S306-A309 PolarHBondContact OG-N 2.91Å; S306-A309 VanDerWaalsContact OG-N 3.14Å; S306-L310 WeakPolarHBondContact O-CB 3.5Å; S306-L310 PolarHBondContact O-N 3.06Å
307	D	90.6	Very high	88.6	Confident	106 Å²	106	51.9 Å²	51.9	57%	0.567	28%	0.283	S	S	*	.	H	α-helix	trans	-56.4	-30.9	177.3	-76.6	-29.3	0	0	0	112.4	K270 R311	K270-D307 IonicContact NZ-OD1 3.76Å; D307-R311 WeakPolarHBondContact O-CB 3.34Å; D307-R311 PolarHBondContact O-N 3.1Å
308	K	92	Very high	89.2	Confident	148 Å²	148	50.4 Å²	50.4	64%	0.643	27%	0.272	S	S	*	.	H	α-helix	trans	-68.9	-44.2	175	-173.5	179.5	178.8	-177.6	0	112.1	S306 A312	S306-K308 PolarHBondContact O-N 2.85Å; S306-K308 VanDerWaalsContact O-N 3.09Å; K308-A312 WeakPolarHBondContact O-CB 3.47Å; K308-A312 PolarHBondContact O-N 3.08Å
309	A	91.8	Very high	89.9	Confident	16 Å²	16	43.5 Å²	43.5	13%	0.132	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-43.1	176.8	0	0	0	0	0	111.1	L305 S306 A312 E313	L305-A309 HydrophobicContact CD2-CB 4.06Å; S306-A309 PolarHBondContact O-N 2.92Å; S306-A309 WeakPolarHBondContact OG-CB 3.4Å; S306-A309 PolarHBondContact OG-N 2.91Å; S306-A309 VanDerWaalsContact OG-N 3.14Å; A309-A312 PolarHBondContact O-N 3.27Å; A309-E313 WeakPolarHBondContact O-CG 3.3Å; A309-E313 PolarHBondContact O-N 3.23Å
310	L	93.8	Very high	90.7	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-54.9	-54.1	174	175.9	66.9	0	0	0	111.2	V266 L294 L295 S306 A312 E313 V314	V266-L310 HydrophobicContact CG1-CD2 4.01Å; L294-L310 HydrophobicContact CB-CD1 3.54Å; L294-L310 HydrophobicContact CD1-CD1 4.05Å; L294-L310 HydrophobicContact CG-CD1 4.32Å; L295-L310 HydrophobicContact CD2-CD1 4.29Å; L295-L310 HydrophobicContact CD2-CD2 3.96Å; S306-L310 WeakPolarHBondContact O-CB 3.5Å; S306-L310 PolarHBondContact O-N 3.06Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.18Å; L310-E313 PolarHBondContact O-N 3.38Å; L310-V314 HydrophobicContact CD1-CG2 4.46Å; L310-V314 VanDerWaalsContact O-CG2 3.32Å; L310-V314 WeakPolarHBondContact O-CG2 3.43Å; L310-V314 PolarHBondContact O-N 2.88Å
311	R	94.5	Very high	91.5	Very high	80 Å²	80	38.2 Å²	38.2	30%	0.302	22%	0.224	S	C	.	.	H	α-helix	trans	-58.2	-44.8	177.9	-176.5	-175.3	-62.3	101.2	-1	111.4	D263 D307 E313 V314 D315	D263-R311 IonicContact OD1-CZ 3.02Å; D263-R311 IonicContact OD1-NE 3.27Å; D263-R311 PolarHBondContact OD1-NE 2.91Å; D263-R311 IonicContact OD1-NH2 3.45Å; D263-R311 PolarHBondContact OD1-NH2 3.14Å; D263-R311 VanDerWaalsContact OD1-NH2 3.16Å; D263-R311 IonicContact OD2-NE 2.65Å; D263-R311 IonicContact OD2-NH2 3.74Å; D307-R311 WeakPolarHBondContact O-CB 3.34Å; D307-R311 PolarHBondContact O-N 3.1Å; R311-E313 VanDerWaalsContact C-N 3.31Å; R311-E313 PolarHBondContact O-N 2.97Å; R311-V314 PolarHBondContact O-N 2.89Å; R311-V314 VanDerWaalsContact O-N 3.16Å; R311-D315 WeakPolarHBondContact CG-OD2 3.25Å; R311-D315 WeakPolarHBondContact O-CB 3.41Å; R311-D315 VanDerWaalsContact O-CG 3.31Å; R311-D315 PolarHBondContact O-N 3.18Å
312	A	95.7	Very high	92.2	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-38.6	-179.3	0	0	0	0	0	112.9	L126 K308 A309 L310 S316	L126-A312 WeakPolarHBondContact O-CA 3.06Å; K308-A312 WeakPolarHBondContact O-CB 3.47Å; K308-A312 PolarHBondContact O-N 3.08Å; A309-A312 PolarHBondContact O-N 3.27Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.18Å; A312-S316 WeakPolarHBondContact O-CB 3.23Å; A312-S316 PolarHBondContact O-N 3.24Å; A312-S316 PolarHBondContact O-OG 3.13Å
313	E	95.7	Very high	92.9	Very high	3 Å²	3	30 Å²	30	1%	0.014	17%	0.169	C	C	.	.	H	α-helix	trans	-69.6	-39.3	174.4	-67.2	-60.7	171.4	0	0	112.4	G129 L130 H141 L145 F290 L294 A309 L310 R311 L317	G129-E313 WeakPolarHBondContact CA-OE1 3.45Å; L130-E313 VanDerWaalsContact CB-OE2 3.29Å; L130-E313 WeakPolarHBondContact CB-OE2 3.43Å; L130-E313 PolarHBondContact N-OE1 3.31Å; L130-E313 PolarHBondContact N-OE2 3.38Å; H141-E313 IonicContact CE1-OE1 3.91Å; H141-E313 IonicContact CG-OE1 3.73Å; H141-E313 IonicContact ND1-OE1 2.73Å; H141-E313 PolarHBondContact ND1-OE1 3.3Å; L145-E313 HydrophobicContact CD1-CG 4.33Å; F290-E313 HydrophobicContact CZ-CB 4.13Å; L294-E313 HydrophobicContact CD1-CB 3.83Å; L294-E313 HydrophobicContact CD2-CB 3.93Å; L294-E313 HydrophobicContact CD2-CG 4.08Å; A309-E313 WeakPolarHBondContact O-CG 3.3Å; A309-E313 PolarHBondContact O-N 3.23Å; L310-E313 PolarHBondContact O-N 3.38Å; R311-E313 VanDerWaalsContact C-N 3.31Å; R311-E313 PolarHBondContact O-N 2.97Å; E313-L317 PolarHBondContact O-N 3.32Å
314	V	96.6	Very high	93.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-51.1	175.6	171.1	0	0	0	0	111	F201 T262 V266 L291 L294 L310 R311 S316 L317 M318	F201-V314 HydrophobicContact CD1-CG1 4.46Å; F201-V314 HydrophobicContact CE1-CB 4.27Å; F201-V314 HydrophobicContact CE1-CG1 3.71Å; F201-V314 HydrophobicContact CE1-CG2 4.22Å; F201-V314 HydrophobicContact CZ-CG1 4.27Å; T262-V314 HydrophobicContact CG2-CG1 3.85Å; V266-V314 HydrophobicContact CG2-CB 4.49Å; V266-V314 HydrophobicContact CG2-CG1 4.19Å; V266-V314 HydrophobicContact CG2-CG2 3.89Å; L291-V314 HydrophobicContact CD1-CG2 3.98Å; L294-V314 HydrophobicContact CD1-CG2 4.03Å; L310-V314 HydrophobicContact CD1-CG2 4.46Å; L310-V314 VanDerWaalsContact O-CG2 3.32Å; L310-V314 WeakPolarHBondContact O-CG2 3.43Å; L310-V314 PolarHBondContact O-N 2.88Å; R311-V314 PolarHBondContact O-N 2.89Å; R311-V314 VanDerWaalsContact O-N 3.16Å; V314-S316 VanDerWaalsContact C-N 3.32Å; V314-S316 PolarHBondContact O-N 2.99Å; V314-L317 PolarHBondContact O-N 3.41Å; V314-M318 VanDerWaalsContact O-CB 3.26Å; V314-M318 WeakPolarHBondContact O-CB 3.23Å; V314-M318 PolarHBondContact O-N 2.89Å
315	D	96.5	Very high	94.3	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-45.2	178	-69.1	-26.7	0	0	0	111.1	L126 H259 T262 R311 M318 F319	L126-D315 HydrophobicContact CD2-CB 4.24Å; H259-D315 IonicContact CD2-OD1 3.55Å; H259-D315 IonicContact CD2-OD2 3.7Å; H259-D315 PolarHBondContact CD2-OD2 3.01Å; H259-D315 VanDerWaalsContact CD2-OD2 3.26Å; H259-D315 IonicContact NE2-OD2 3.64Å; H259-D315 PolarHBondContact NE2-OD2 3.13Å; T262-D315 VanDerWaalsContact CB-OD1 3.23Å; T262-D315 WeakPolarHBondContact CB-OD1 3.24Å; T262-D315 WeakPolarHBondContact CG2-OD1 3.1Å; T262-D315 PolarHBondContact OG1-OD1 2.84Å; R311-D315 WeakPolarHBondContact CG-OD2 3.25Å; R311-D315 WeakPolarHBondContact O-CB 3.41Å; R311-D315 VanDerWaalsContact O-CG 3.31Å; R311-D315 PolarHBondContact O-N 3.18Å; D315-M318 PolarHBondContact O-N 3.46Å; D315-F319 WeakPolarHBondContact O-CB 3.35Å; D315-F319 PolarHBondContact O-N 2.87Å
316	S	94.6	Very high	94.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-48.4	178.8	-75.6	0	0	0	0	112.6	L126 F131 A312 V314 G320	L126-S316 PolarHBondContact O-OG 3.34Å; F131-S316 WeakPolarHBondContact CE2-O 3.35Å; A312-S316 WeakPolarHBondContact O-CB 3.23Å; A312-S316 PolarHBondContact O-N 3.24Å; A312-S316 PolarHBondContact O-OG 3.13Å; V314-S316 VanDerWaalsContact C-N 3.32Å; V314-S316 PolarHBondContact O-N 2.99Å; S316-G320 PolarHBondContact O-N 3.15Å
317	L	95	Very high	95.2	Very high	18 Å²	18	22.2 Å²	22.2	9%	0.094	11%	0.114	C	C	.	.	H	α-helix	trans	-72	-38.5	178.3	-176.3	64.7	0	0	0	111.7	F149 I196 A200 F201 F290 E313 V314 F319 G320 G321	F149-L317 HydrophobicContact CE1-CD1 4.28Å; F149-L317 HydrophobicContact CZ-CD1 3.81Å; F149-L317 HydrophobicContact CZ-CD2 4.28Å; I196-L317 HydrophobicContact CD1-CD1 4.46Å; I196-L317 HydrophobicContact CD1-CD2 4.49Å; I196-L317 HydrophobicContact CD1-CG 4.35Å; A200-L317 HydrophobicContact CB-CD2 3.53Å; F201-L317 HydrophobicContact CZ-CB 4.32Å; F201-L317 HydrophobicContact CZ-CD2 4.33Å; F201-L317 HydrophobicContact CZ-CG 4.43Å; F290-L317 HydrophobicContact CB-CD2 3.83Å; F290-L317 HydrophobicContact CD1-CB 4.41Å; F290-L317 HydrophobicContact CD1-CD2 3.24Å; F290-L317 HydrophobicContact CD1-CG 4.42Å; F290-L317 HydrophobicContact CD2-CD2 3.47Å; F290-L317 VanDerWaalsContact CD2-CD2 3.47Å; F290-L317 HydrophobicContact CE1-CB 3.74Å; F290-L317 HydrophobicContact CE1-CD2 3.45Å; F290-L317 VanDerWaalsContact CE1-CD2 3.45Å; F290-L317 HydrophobicContact CE1-CG 4.22Å; F290-L317 HydrophobicContact CE2-CB 4.26Å; F290-L317 HydrophobicContact CE2-CD2 3.66Å; F290-L317 HydrophobicContact CE2-CG 4.45Å; F290-L317 HydrophobicContact CG-CD2 3.23Å; F290-L317 HydrophobicContact CZ-CB 3.65Å; F290-L317 HydrophobicContact CZ-CD2 3.65Å; F290-L317 HydrophobicContact CZ-CG 4.24Å; E313-L317 PolarHBondContact O-N 3.32Å; V314-L317 PolarHBondContact O-N 3.41Å; L317-F319 VanDerWaalsContact C-N 3.33Å; L317-F319 PolarHBondContact O-N 3.46Å; L317-G320 PolarHBondContact O-N 3.29Å; L317-G321 WeakPolarHBondContact O-CA 3.5Å; L317-G321 PolarHBondContact O-N 3.06Å
318	M	95	Very high	95.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.8	-49.9	178.3	-166.6	71.8	76.1	0	0	109.9	L193 I196 M197 F201 Y216 T262 V265 V314 D315 H322	L193-M318 HydrophobicContact CD1-CG 4.18Å; L193-M318 HydrophobicContact CD1-SD 3.66Å; I196-M318 HydrophobicContact CG2-SD 4.2Å; M197-M318 HydrophobicContact CG-SD 4.29Å; M197-M318 HydrophobicContact SD-CE 3.42Å; M197-M318 WeakPolarHBondContact SD-CE 3.07Å; M197-M318 HydrophobicContact SD-SD 3.8Å; F201-M318 HydrophobicContact CD1-CE 4.4Å; F201-M318 HydrophobicContact CD2-CE 3.62Å; F201-M318 HydrophobicContact CD2-SD 3.96Å; F201-M318 HydrophobicContact CE1-CE 4.23Å; F201-M318 HydrophobicContact CE2-CB 4.32Å; F201-M318 HydrophobicContact CE2-CE 3.37Å; F201-M318 HydrophobicContact CE2-SD 3.46Å; F201-M318 WeakPolarHBondContact CE2-SD 3.42Å; F201-M318 HydrophobicContact CG-CE 4.13Å; F201-M318 HydrophobicContact CZ-CB 4.19Å; F201-M318 HydrophobicContact CZ-CE 3.7Å; F201-M318 HydrophobicContact CZ-SD 4.14Å; Y216-M318 HydrophobicContact CE1-CG 4.09Å; Y216-M318 HydrophobicContact CE2-CG 4.18Å; Y216-M318 WeakPolarHBondContact OH-CG 3.43Å; T262-M318 HydrophobicContact CG2-CB 4.34Å; T262-M318 HydrophobicContact CG2-CE 4.26Å; T262-M318 HydrophobicContact CG2-CG 4.45Å; V265-M318 HydrophobicContact CG2-CE 4.31Å; V314-M318 VanDerWaalsContact O-CB 3.26Å; V314-M318 WeakPolarHBondContact O-CB 3.23Å; V314-M318 PolarHBondContact O-N 2.89Å; D315-M318 PolarHBondContact O-N 3.46Å; M318-H322 PolarHBondContact O-N 3.48Å; M318-H322 PolarHBondContact O-ND1 3.07Å
319	F	94.9	Very high	95.9	Very high	12 Å²	12	10.1 Å²	10.1	5%	0.053	6%	0.057	C	C	.	.	H	α-helix	trans	-62.9	-55.6	175.5	168.9	-116.3	0	0	0	112.4	W125 L126 V220 D315 L317 G321 H322 D323 L493	W125-F319 HydrophobicContact CH2-CB 4.41Å; W125-F319 HydrophobicContact CH2-CD1 4.28Å; W125-F319 AromaticContact CH2-CD2 3.26Å; W125-F319 HydrophobicContact CH2-CD2 3.26Å; W125-F319 HydrophobicContact CH2-CE1 4.42Å; W125-F319 AromaticContact CH2-CE2 3.43Å; W125-F319 HydrophobicContact CH2-CE2 3.43Å; W125-F319 VanDerWaalsContact CH2-CE2 3.43Å; W125-F319 AromaticContact CH2-CG 3.72Å; W125-F319 HydrophobicContact CH2-CG 3.72Å; W125-F319 HydrophobicContact CH2-CZ 4.02Å; W125-F319 HydrophobicContact CZ2-CB 3.95Å; W125-F319 AromaticContact CZ2-CD2 3.53Å; W125-F319 HydrophobicContact CZ2-CD2 3.53Å; W125-F319 HydrophobicContact CZ2-CE2 4.19Å; W125-F319 AromaticContact CZ2-CG 3.77Å; W125-F319 HydrophobicContact CZ2-CG 3.77Å; W125-F319 HydrophobicContact CZ3-CD2 4.34Å; W125-F319 HydrophobicContact CZ3-CE2 4.25Å; W125-F319 HydrophobicContact CZ3-CZ 4.44Å; L126-F319 HydrophobicContact CD1-CD1 3.82Å; L126-F319 HydrophobicContact CD1-CE1 4.32Å; L126-F319 HydrophobicContact CD2-CB 3.78Å; L126-F319 HydrophobicContact CD2-CD1 4.27Å; L126-F319 HydrophobicContact CD2-CG 4.24Å; V220-F319 HydrophobicContact CG1-CD2 4.13Å; V220-F319 HydrophobicContact CG1-CE2 4.4Å; D315-F319 WeakPolarHBondContact O-CB 3.35Å; D315-F319 PolarHBondContact O-N 2.87Å; L317-F319 VanDerWaalsContact C-N 3.33Å; L317-F319 PolarHBondContact O-N 3.46Å; F319-G321 VanDerWaalsContact C-N 3.27Å; F319-G321 PolarHBondContact O-N 3.33Å; F319-H322 PolarHBondContact O-N 2.79Å; F319-H322 PolarHBondContact O-ND1 2.86Å; F319-D323 HydrophobicContact CD2-CB 3.95Å; F319-D323 HydrophobicContact CE2-CB 3.71Å; F319-D323 WeakPolarHBondContact CE2-OD2 3.23Å; F319-D323 PolarHBondContact O-N 3.42Å; F319-D323 VanDerWaalsContact O-N 3.13Å; F319-L493 HydrophobicContact CZ-CD1 4.42Å
320	G	94.9	Very high	96.2	Very high	10 Å²	10	9.4 Å²	9.4	10%	0.103	5%	0.051	C	C	.	.	H	α-helix	trans	-62.7	-34.2	-174.8	0	0	0	0	0	113.5	S316 L317 T324	S316-G320 PolarHBondContact O-N 3.15Å; L317-G320 PolarHBondContact O-N 3.29Å; G320-T324 PolarHBondContact O-OG1 2.89Å
321	G	94.7	Very high	96.4	Very high	11 Å²	11	9 Å²	9	11%	0.113	5%	0.049	C	C	.	.	H	α-helix	trans	-79.4	-13.6	-176.7	0	0	0	0	0	115	M192 L317 F319 P325	M192-G321 WeakPolarHBondContact CE-O 3.47Å; L317-G321 WeakPolarHBondContact O-CA 3.5Å; L317-G321 PolarHBondContact O-N 3.06Å; F319-G321 VanDerWaalsContact C-N 3.27Å; F319-G321 PolarHBondContact O-N 3.33Å; G321-P325 WeakPolarHBondContact O-CG 3.41Å
322	H	95.2	Very high	96.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-116.5	-53.5	176.4	86.2	-78.9	0	0	0	114.3	M192 L193 I196 Y216 M318 F319 T324 P325 A326	M192-H322 HydrophobicContact CB-CB 4.01Å; L193-H322 HydrophobicContact CB-CB 4.19Å; L193-H322 HydrophobicContact CD1-CB 4.4Å; I196-H322 HydrophobicContact CG2-CB 4.31Å; Y216-H322 AromaticContact CE1-CE1 3.75Å; M318-H322 PolarHBondContact O-N 3.48Å; M318-H322 PolarHBondContact O-ND1 3.07Å; F319-H322 PolarHBondContact O-N 2.79Å; F319-H322 PolarHBondContact O-ND1 2.86Å; H322-T324 VanDerWaalsContact C-N 3.34Å; H322-T324 PolarHBondContact O-N 2.94Å; H322-P325 WeakPolarHBondContact O-CD 3.31Å; H322-P325 WeakPolarHBondContact O-CG 3.5Å; H322-A326 WeakPolarHBondContact O-CB 3.42Å; H322-A326 PolarHBondContact O-N 2.98Å
323	D	95.3	Very high	96.8	Very high	2 Å²	2	5 Å²	5	1%	0.011	3%	0.033	C	C	.	.	H	α-helix	trans	-69.5	-34.5	-169.8	-159.9	46.5	0	0	0	111.1	N224 F319 S327 V494 K496	N224-D323 PolarHBondContact ND2-OD2 3.43Å; F319-D323 HydrophobicContact CD2-CB 3.95Å; F319-D323 HydrophobicContact CE2-CB 3.71Å; F319-D323 WeakPolarHBondContact CE2-OD2 3.23Å; F319-D323 PolarHBondContact O-N 3.42Å; F319-D323 VanDerWaalsContact O-N 3.13Å; D323-S327 PolarHBondContact O-N 3.42Å; D323-S327 VanDerWaalsContact O-N 3.17Å; D323-V494 WeakPolarHBondContact OD2-CG2 3.4Å; D323-K496 IonicContact OD1-NZ 2.76Å; D323-K496 PolarHBondContact OD1-NZ 3.33Å; D323-K496 IonicContact OD2-NZ 2.73Å; D323-K496 PolarHBondContact OD2-NZ 3.38Å
324	T	97.4	Very high	96.9	Very high	32 Å²	32	6.1 Å²	6.1	20%	0.196	4%	0.037	C	C	.	.	H	α-helix	trans	-72.5	-51	179.7	78.4	0	0	0	0	113.8	G320 H322 A326 S327 G328 P384 I385 V494	G320-T324 PolarHBondContact O-OG1 2.89Å; H322-T324 VanDerWaalsContact C-N 3.34Å; H322-T324 PolarHBondContact O-N 2.94Å; T324-A326 VanDerWaalsContact C-N 3.31Å; T324-A326 PolarHBondContact O-N 3.47Å; T324-S327 WeakPolarHBondContact O-CB 3.4Å; T324-S327 PolarHBondContact O-N 3.31Å; T324-G328 PolarHBondContact O-N 2.9Å; T324-G328 VanDerWaalsContact O-N 3.15Å; T324-P384 WeakPolarHBondContact O-CB 3.28Å; T324-I385 HydrophobicContact CG2-CD1 4.09Å; T324-V494 HydrophobicContact CG2-CG1 3.8Å
325	P	97.8	Very high	97	Very high	9 Å²	9	6.2 Å²	6.2	6%	0.058	4%	0.038	C	C	.	.	H	α-helix	trans	-68.3	-28.8	174	27.8	-36.4	0	0	0	112.7	M192 G321 H322 S327 G328 I329	M192-P325 HydrophobicContact CE-CB 3.76Å; M192-P325 HydrophobicContact CE-CG 3.3Å; M192-P325 HydrophobicContact CG-CB 4.37Å; M192-P325 HydrophobicContact CG-CG 4.12Å; M192-P325 HydrophobicContact SD-CB 3.78Å; M192-P325 HydrophobicContact SD-CG 3.84Å; G321-P325 WeakPolarHBondContact O-CG 3.41Å; H322-P325 WeakPolarHBondContact O-CD 3.31Å; H322-P325 WeakPolarHBondContact O-CG 3.5Å; P325-S327 VanDerWaalsContact C-N 3.35Å; P325-S327 PolarHBondContact O-N 3.36Å; P325-G328 PolarHBondContact O-N 2.96Å; P325-G328 VanDerWaalsContact O-N 3.14Å; P325-I329 WeakPolarHBondContact O-CG1 3.43Å; P325-I329 PolarHBondContact O-N 3.19Å
326	A	98.1	Very high	97.1	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-62.9	-42.1	175.1	0	0	0	0	0	112.2	I188 M192 H322 T324 S330	I188-A326 HydrophobicContact CG2-CB 3.96Å; M192-A326 HydrophobicContact CB-CB 4.35Å; M192-A326 HydrophobicContact CG-CB 4Å; H322-A326 WeakPolarHBondContact O-CB 3.42Å; H322-A326 PolarHBondContact O-N 2.98Å; T324-A326 VanDerWaalsContact C-N 3.31Å; T324-A326 PolarHBondContact O-N 3.47Å; A326-S330 WeakPolarHBondContact O-CB 3.37Å; A326-S330 PolarHBondContact O-N 3.33Å; A326-S330 PolarHBondContact O-OG 3.46Å
327	S	98.3	Very high	97.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-57	-49.5	168.7	169.4	0	0	0	0	111.4	D323 T324 P325 I329 S330 W331 L495	D323-S327 PolarHBondContact O-N 3.42Å; D323-S327 VanDerWaalsContact O-N 3.17Å; T324-S327 WeakPolarHBondContact O-CB 3.4Å; T324-S327 PolarHBondContact O-N 3.31Å; P325-S327 VanDerWaalsContact C-N 3.35Å; P325-S327 PolarHBondContact O-N 3.36Å; S327-I329 PolarHBondContact O-N 2.99Å; S327-S330 PolarHBondContact O-N 3.32Å; S327-W331 PolarHBondContact O-N 3.32Å; S327-L495 WeakPolarHBondContact CB-O 3.41Å; S327-L495 PolarHBondContact OG-O 3.03Å
328	G	98.5	Very high	97.5	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-57.4	-50	178.6	0	0	0	0	0	113.5	T324 P325 S330 W331 V332	T324-G328 PolarHBondContact O-N 2.9Å; T324-G328 VanDerWaalsContact O-N 3.15Å; P325-G328 PolarHBondContact O-N 2.96Å; P325-G328 VanDerWaalsContact O-N 3.14Å; G328-S330 PolarHBondContact O-N 2.83Å; G328-W331 PolarHBondContact O-N 3.38Å; G328-V332 WeakPolarHBondContact O-CB 3.32Å; G328-V332 WeakPolarHBondContact O-CG2 3.25Å; G328-V332 PolarHBondContact O-N 2.76Å
329	I	98.8	Very high	97.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.9	-44.1	-179.1	-64.8	166.7	0	0	0	110.3	I188 M191 M192 P325 S327 W331 V332 F333 V465 L466 A469	I188-I329 HydrophobicContact CD1-CG2 3.96Å; I188-I329 HydrophobicContact CG1-CG2 4.36Å; I188-I329 HydrophobicContact CG2-CB 3.83Å; I188-I329 HydrophobicContact CG2-CD1 4.23Å; I188-I329 HydrophobicContact CG2-CG2 3.9Å; M191-I329 HydrophobicContact CE-CD1 3.72Å; M192-I329 HydrophobicContact CG-CD1 4.13Å; M192-I329 HydrophobicContact SD-CD1 3.55Å; M192-I329 VanDerWaalsContact SD-CD1 3.55Å; P325-I329 WeakPolarHBondContact O-CG1 3.43Å; P325-I329 PolarHBondContact O-N 3.19Å; S327-I329 PolarHBondContact O-N 2.99Å; I329-W331 VanDerWaalsContact C-N 3.34Å; I329-W331 PolarHBondContact O-N 2.93Å; I329-V332 PolarHBondContact O-N 3.39Å; I329-F333 HydrophobicContact CG2-CD1 4.27Å; I329-F333 HydrophobicContact CG2-CD2 4.05Å; I329-F333 HydrophobicContact CG2-CE1 3.85Å; I329-F333 HydrophobicContact CG2-CE2 3.62Å; I329-F333 HydrophobicContact CG2-CG 4.36Å; I329-F333 HydrophobicContact CG2-CZ 3.51Å; I329-F333 WeakPolarHBondContact O-CB 3.48Å; I329-F333 WeakPolarHBondContact O-CG 3.37Å; I329-F333 PolarHBondContact O-N 3.02Å; I329-V465 HydrophobicContact CD1-CG1 4.12Å; I329-L466 HydrophobicContact CB-CD2 4.28Å; I329-L466 HydrophobicContact CG1-CD2 3.52Å; I329-L466 HydrophobicContact CG1-CG 4.19Å; I329-A469 HydrophobicContact CD1-CB 3.94Å; I329-A469 HydrophobicContact CG1-CB 4.24Å; I329-A469 HydrophobicContact CG2-CB 4.02Å
330	S	98.7	Very high	97.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.1	-43	-179.5	-53.7	0	0	0	0	111.8	I188 A326 S327 G328 F333 Y334	I188-S330 WeakPolarHBondContact CD1-OG 3.06Å; A326-S330 WeakPolarHBondContact O-CB 3.37Å; A326-S330 PolarHBondContact O-N 3.33Å; A326-S330 PolarHBondContact O-OG 3.46Å; S327-S330 PolarHBondContact O-N 3.32Å; G328-S330 PolarHBondContact O-N 2.83Å; S330-F333 PolarHBondContact O-N 2.81Å; S330-Y334 PolarHBondContact O-N 3.42Å
331	W	98.7	Very high	98	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-73	-33.3	177	-75.5	115.5	0	0	0	113.5	S327 G328 I329 Y334 A335 Y382 P487 P489 L495 I501	S327-W331 PolarHBondContact O-N 3.32Å; G328-W331 PolarHBondContact O-N 3.38Å; I329-W331 VanDerWaalsContact C-N 3.34Å; I329-W331 PolarHBondContact O-N 2.93Å; W331-Y334 AromaticContact CE3-CD1 3.83Å; W331-Y334 HydrophobicContact CE3-CD1 3.83Å; W331-Y334 HydrophobicContact CE3-CG 4.43Å; W331-Y334 AromaticContact CZ3-CD1 3.8Å; W331-Y334 HydrophobicContact CZ3-CD1 3.8Å; W331-Y334 HydrophobicContact CZ3-CE1 4.19Å; W331-Y334 HydrophobicContact CZ3-CG 4.49Å; W331-Y334 PolarHBondContact O-N 2.81Å; W331-A335 WeakPolarHBondContact O-CB 3.47Å; W331-A335 PolarHBondContact O-N 3.02Å; W331-Y382 VanDerWaalsContact CB-CB 3.47Å; W331-Y382 HydrophobicContact CB-CD2 4.11Å; W331-Y382 HydrophobicContact CB-CG 3.94Å; W331-Y382 AromaticContact CD2-CD1 3.8Å; W331-Y382 HydrophobicContact CD2-CD1 3.8Å; W331-Y382 HydrophobicContact CD2-CD2 4.34Å; W331-Y382 AromaticContact CD2-CG 3.69Å; W331-Y382 HydrophobicContact CD2-CG 3.69Å; W331-Y382 AromaticContact CE3-CD1 3.42Å; W331-Y382 HydrophobicContact CE3-CD1 3.42Å; W331-Y382 VanDerWaalsContact CE3-CD1 3.42Å; W331-Y382 AromaticContact CE3-CD2 3.87Å; W331-Y382 HydrophobicContact CE3-CD2 3.87Å; W331-Y382 AromaticContact CE3-CE1 3.72Å; W331-Y382 HydrophobicContact CE3-CE1 3.72Å; W331-Y382 HydrophobicContact CE3-CE2 4.13Å; W331-Y382 AromaticContact CE3-CG 3.5Å; W331-Y382 HydrophobicContact CE3-CG 3.5Å; W331-Y382 VanDerWaalsContact CG-CB 3.45Å; W331-Y382 HydrophobicContact CG-CD1 4.45Å; W331-Y382 HydrophobicContact CG-CD2 4.47Å; W331-Y382 AromaticContact CG-CG 3.9Å; W331-Y382 HydrophobicContact CG-CG 3.9Å; W331-Y382 HydrophobicContact CH2-CD1 4.27Å; W331-Y382 HydrophobicContact CH2-CE1 4.37Å; W331-Y382 AromaticContact CZ3-CD1 3.68Å; W331-Y382 HydrophobicContact CZ3-CD1 3.68Å; W331-Y382 AromaticContact CZ3-CE1 3.63Å; W331-Y382 HydrophobicContact CZ3-CE1 3.63Å; W331-Y382 HydrophobicContact CZ3-CG 4.25Å; W331-P487 HydrophobicContact CH2-CB 3.86Å; W331-P487 HydrophobicContact CH2-CG 4.17Å; W331-P487 HydrophobicContact CZ3-CB 4.08Å; W331-P487 HydrophobicContact CZ3-CG 3.87Å; W331-P489 HydrophobicContact CH2-CB 4.02Å; W331-P489 HydrophobicContact CH2-CG 3.62Å; W331-P489 HydrophobicContact CZ2-CB 4.05Å; W331-P489 HydrophobicContact CZ2-CG 4.16Å; W331-P489 HydrophobicContact CZ3-CG 4.27Å; W331-L495 HydrophobicContact CZ2-CD2 4.49Å; W331-L495 HydrophobicContact CZ2-CG 4.31Å; W331-L495 PolarHBondContact NE1-O 2.96Å; W331-I501 HydrophobicContact CD2-CD1 3.91Å; W331-I501 HydrophobicContact CE3-CD1 4.27Å; W331-I501 HydrophobicContact CG-CD1 4.32Å; W331-I501 HydrophobicContact CH2-CD1 4.46Å; W331-I501 HydrophobicContact CZ2-CD1 4.13Å
332	V	98.9	Very high	98.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.3	-45.3	171.2	168.9	0	0	0	0	110.7	G328 I329 A335 L336 I375 A378 L466 V470	G328-V332 WeakPolarHBondContact O-CB 3.32Å; G328-V332 WeakPolarHBondContact O-CG2 3.25Å; G328-V332 PolarHBondContact O-N 2.76Å; I329-V332 PolarHBondContact O-N 3.39Å; V332-A335 PolarHBondContact O-N 3.16Å; V332-L336 HydrophobicContact CG1-CD1 3.98Å; V332-L336 HydrophobicContact CG1-CG 4.47Å; V332-L336 WeakPolarHBondContact O-CG 3.3Å; V332-L336 PolarHBondContact O-N 2.78Å; V332-I375 HydrophobicContact CG1-CG1 4.12Å; V332-I375 HydrophobicContact CG2-CG2 4.31Å; V332-A378 HydrophobicContact CB-CB 4.25Å; V332-A378 HydrophobicContact CG2-CB 3.66Å; V332-L466 HydrophobicContact CG2-CD2 4.04Å; V332-V470 HydrophobicContact CG1-CG2 3.47Å; V332-V470 VanDerWaalsContact CG1-CG2 3.47Å
333	F	98.8	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-42.8	177.2	-73	-0.7	0	0	0	111.7	W172 I184 I188 I329 S330 L336 A337 A469 V470 T473 L479 L503	W172-F333 AromaticContact CH2-CD2 3.99Å; W172-F333 HydrophobicContact CH2-CD2 3.99Å; W172-F333 AromaticContact CH2-CE2 3.77Å; W172-F333 HydrophobicContact CH2-CE2 3.77Å; W172-F333 HydrophobicContact CZ3-CD2 4.39Å; W172-F333 HydrophobicContact CZ3-CE2 4.06Å; I184-F333 HydrophobicContact CD1-CB 3.88Å; I184-F333 HydrophobicContact CD1-CD2 4.25Å; I188-F333 HydrophobicContact CD1-CD2 3.8Å; I188-F333 HydrophobicContact CD1-CE2 3.97Å; I329-F333 HydrophobicContact CG2-CD1 4.27Å; I329-F333 HydrophobicContact CG2-CD2 4.05Å; I329-F333 HydrophobicContact CG2-CE1 3.85Å; I329-F333 HydrophobicContact CG2-CE2 3.62Å; I329-F333 HydrophobicContact CG2-CG 4.36Å; I329-F333 HydrophobicContact CG2-CZ 3.51Å; I329-F333 WeakPolarHBondContact O-CB 3.48Å; I329-F333 WeakPolarHBondContact O-CG 3.37Å; I329-F333 PolarHBondContact O-N 3.02Å; S330-F333 PolarHBondContact O-N 2.81Å; F333-L336 PolarHBondContact O-N 2.96Å; F333-A337 VanDerWaalsContact O-CB 3.28Å; F333-A337 WeakPolarHBondContact O-CB 3.38Å; F333-A337 PolarHBondContact O-N 2.94Å; F333-A469 HydrophobicContact CZ-CB 4.19Å; F333-V470 HydrophobicContact CD1-CG2 4.35Å; F333-V470 HydrophobicContact CE1-CG2 3.89Å; F333-T473 HydrophobicContact CE2-CG2 4.24Å; F333-T473 HydrophobicContact CZ-CG2 4.06Å; F333-T473 VanDerWaalsContact CZ-OG1 3.27Å; F333-T473 WeakPolarHBondContact CZ-OG1 3.35Å; F333-L479 HydrophobicContact CB-CD1 3.83Å; F333-L479 HydrophobicContact CD1-CD1 4.03Å; F333-L479 HydrophobicContact CD2-CD1 4.44Å; F333-L479 HydrophobicContact CG-CD1 3.86Å; F333-L503 HydrophobicContact CB-CD1 3.96Å
334	Y	98.7	Very high	98.5	Very high	26 Å²	26	24.1 Å²	24.1	10%	0.102	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-43.8	173.9	176.4	-106.6	0	0	0	112.9	S330 W331 A337 T338 Y382 P487 I501 L503	S330-Y334 PolarHBondContact O-N 3.42Å; W331-Y334 AromaticContact CE3-CD1 3.83Å; W331-Y334 HydrophobicContact CE3-CD1 3.83Å; W331-Y334 HydrophobicContact CE3-CG 4.43Å; W331-Y334 AromaticContact CZ3-CD1 3.8Å; W331-Y334 HydrophobicContact CZ3-CD1 3.8Å; W331-Y334 HydrophobicContact CZ3-CE1 4.19Å; W331-Y334 HydrophobicContact CZ3-CG 4.49Å; W331-Y334 PolarHBondContact O-N 2.81Å; Y334-A337 PolarHBondContact O-N 3.09Å; Y334-T338 HydrophobicContact CD2-CG2 4.26Å; Y334-T338 HydrophobicContact CE1-CG2 4.31Å; Y334-T338 HydrophobicContact CE2-CG2 3.66Å; Y334-T338 PolarHBondContact O-N 3.21Å; Y334-T338 PolarHBondContact O-OG1 2.98Å; Y334-Y382 HydrophobicContact CD1-CE2 4.33Å; Y334-P487 HydrophobicContact CD1-CG 3.91Å; Y334-P487 HydrophobicContact CD2-CG 3.62Å; Y334-P487 HydrophobicContact CE1-CG 3.65Å; Y334-P487 HydrophobicContact CE2-CG 3.37Å; Y334-P487 HydrophobicContact CG-CG 3.89Å; Y334-P487 VanDerWaalsContact CZ-CD 3.44Å; Y334-I501 HydrophobicContact CD2-CG2 4.42Å; Y334-I501 HydrophobicContact CG-CG2 4.41Å; Y334-L503 HydrophobicContact CD2-CD2 4.19Å
335	A	98.7	Very high	98.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-44	177.8	0	0	0	0	0	111.5	W331 V332 T338 H339 A378 Y382 F430	W331-A335 WeakPolarHBondContact O-CB 3.47Å; W331-A335 PolarHBondContact O-N 3.02Å; V332-A335 PolarHBondContact O-N 3.16Å; A335-T338 PolarHBondContact O-N 3.15Å; A335-T338 PolarHBondContact O-OG1 3.13Å; A335-H339 PolarHBondContact O-N 3.4Å; A335-H339 PolarHBondContact O-ND1 3.34Å; A335-A378 HydrophobicContact CB-CB 3.83Å; A335-Y382 HydrophobicContact CB-CE2 4.38Å; A335-F430 HydrophobicContact CB-CD2 4.14Å; A335-F430 HydrophobicContact CB-CE2 3.68Å; A335-F430 HydrophobicContact CB-CZ 4.41Å
336	L	98.8	Very high	98.6	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-37.1	175.6	-69.7	173.5	0	0	0	112.5	V332 F333 T338 H339 Q343 C374 V470 L474	V332-L336 HydrophobicContact CG1-CD1 3.98Å; V332-L336 HydrophobicContact CG1-CG 4.47Å; V332-L336 WeakPolarHBondContact O-CG 3.3Å; V332-L336 PolarHBondContact O-N 2.78Å; F333-L336 PolarHBondContact O-N 2.96Å; L336-T338 VanDerWaalsContact C-N 3.3Å; L336-T338 PolarHBondContact O-N 2.95Å; L336-H339 CarbonylContact O-C 3.4Å; L336-H339 PolarHBondContact O-N 3.39Å; L336-Q343 HydrophobicContact CB-CB 4.41Å; L336-Q343 HydrophobicContact CB-CG 4.27Å; L336-Q343 WeakPolarHBondContact O-CB 3.4Å; L336-Q343 PolarHBondContact O-NE2 2.84Å; L336-C374 HydrophobicContact CD2-CB 4.12Å; L336-V470 HydrophobicContact CD1-CG1 3.86Å; L336-V470 HydrophobicContact CD1-CG2 4.4Å; L336-L474 HydrophobicContact CD1-CD1 4.27Å
337	A	98.5	Very high	98.6	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.033	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-39.5	176.4	0	0	0	0	0	111.9	F333 Y334 H339 L479 P481 L503	F333-A337 VanDerWaalsContact O-CB 3.28Å; F333-A337 WeakPolarHBondContact O-CB 3.38Å; F333-A337 PolarHBondContact O-N 2.94Å; Y334-A337 PolarHBondContact O-N 3.09Å; A337-H339 VanDerWaalsContact C-N 3.29Å; A337-H339 PolarHBondContact O-N 3.17Å; A337-L479 WeakPolarHBondContact CA-O 3.46Å; A337-L479 HydrophobicContact CB-CB 3.96Å; A337-P481 WeakPolarHBondContact O-CD 3.23Å; A337-L503 HydrophobicContact CB-CD1 4.26Å; A337-L503 HydrophobicContact CB-CD2 3.65Å
338	T	98.2	Very high	98.6	Very high	47 Å²	47	34.1 Å²	34.1	29%	0.288	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.6	179.2	49	0	0	0	0	114.3	Y334 A335 L336 P481	Y334-T338 HydrophobicContact CD2-CG2 4.26Å; Y334-T338 HydrophobicContact CE1-CG2 4.31Å; Y334-T338 HydrophobicContact CE2-CG2 3.66Å; Y334-T338 PolarHBondContact O-N 3.21Å; Y334-T338 PolarHBondContact O-OG1 2.98Å; A335-T338 PolarHBondContact O-N 3.15Å; A335-T338 PolarHBondContact O-OG1 3.13Å; L336-T338 VanDerWaalsContact C-N 3.3Å; L336-T338 PolarHBondContact O-N 2.95Å; T338-P481 HydrophobicContact CG2-CB 3.89Å; T338-P481 HydrophobicContact CG2-CG 4.33Å
339	H	98.6	Very high	98.6	Very high	61 Å²	61	35.4 Å²	35.4	28%	0.282	17%	0.172	S	C	.	.			trans	-132.7	74	179.6	-58.9	81.2	0	0	0	110.9	A335 L336 A337 D341 H342 Q343 F430	A335-H339 PolarHBondContact O-N 3.4Å; A335-H339 PolarHBondContact O-ND1 3.34Å; L336-H339 CarbonylContact O-C 3.4Å; L336-H339 PolarHBondContact O-N 3.39Å; A337-H339 VanDerWaalsContact C-N 3.29Å; A337-H339 PolarHBondContact O-N 3.17Å; H339-D341 VanDerWaalsContact C-N 3.28Å; H339-D341 PolarHBondContact O-N 3.21Å; H339-H342 HydrophobicContact CB-CB 4.19Å; H339-H342 PolarHBondContact O-N 3.42Å; H339-Q343 PolarHBondContact O-N 3.08Å; H339-F430 HydrophobicContact CB-CD1 4.49Å; H339-F430 AromaticContact CE1-CG 3.93Å; H339-F430 VanDerWaalsContact NE2-CB 3.29Å; H339-F430 WeakPolarHBondContact NE2-CB 3.48Å
340	P	98	Very high	98.5	Very high	74 Å²	74	35.4 Å²	35.4	48%	0.481	17%	0.172	S	C	.	.	H	α-helix	trans	-57.7	-35.2	-172	21.6	-33.5	0	0	0	113.7	H342 Q343 Q344	P340-H342 VanDerWaalsContact C-N 3.34Å; P340-H342 PolarHBondContact O-N 3.26Å; P340-Q343 WeakPolarHBondContact O-CB 3.5Å; P340-Q343 PolarHBondContact O-N 2.86Å; P340-Q344 WeakPolarHBondContact O-CB 3.47Å; P340-Q344 PolarHBondContact O-N 2.95Å
341	D	98.4	Very high	98.5	Very high	128 Å²	128	40.6 Å²	40.6	68%	0.684	20%	0.197	S	C	*	.	H	α-helix	trans	-61.5	-41.6	176.8	-61.4	-23	0	0	0	112.1	H339 R345	H339-D341 VanDerWaalsContact C-N 3.28Å; H339-D341 PolarHBondContact O-N 3.21Å; D341-R345 WeakPolarHBondContact O-CG 3.4Å; D341-R345 PolarHBondContact O-N 2.96Å; D341-R345 VanDerWaalsContact O-N 3.11Å
342	H	98.8	Very high	98.4	Very high	39 Å²	39	45.1 Å²	45.1	18%	0.181	23%	0.228	C	C	.	.	H	α-helix	trans	-72	-36.6	175.9	-64.1	-42.4	0	0	0	111.7	H339 P340 Q344 R345 C346 Y370 F430	H339-H342 HydrophobicContact CB-CB 4.19Å; H339-H342 PolarHBondContact O-N 3.42Å; P340-H342 VanDerWaalsContact C-N 3.34Å; P340-H342 PolarHBondContact O-N 3.26Å; H342-Q344 VanDerWaalsContact C-N 3.34Å; H342-R345 PolarHBondContact O-N 3.48Å; H342-C346 WeakPolarHBondContact O-CB 3.48Å; H342-C346 PolarHBondContact O-N 3.39Å; H342-C346 PolarHBondContact O-SG 3.31Å; H342-Y370 AromaticContact ND1-CZ 3.99Å; H342-Y370 PolarHBondContact ND1-OH 3.22Å; H342-F430 HydrophobicContact CB-CE1 4.25Å; H342-F430 AromaticContact CD2-CD1 3.4Å; H342-F430 VanDerWaalsContact CD2-CD1 3.4Å; H342-F430 WeakPolarHBondContact CD2-CD1 3.45Å; H342-F430 AromaticContact CD2-CE1 3.56Å; H342-F430 AromaticContact NE2-CD1 3.9Å
343	Q	98.8	Very high	98.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-45	173.7	-165	-173	142.7	0	0	111.5	L336 H339 P340 C346 R347 L474 L479	L336-Q343 HydrophobicContact CB-CB 4.41Å; L336-Q343 HydrophobicContact CB-CG 4.27Å; L336-Q343 WeakPolarHBondContact O-CB 3.4Å; L336-Q343 PolarHBondContact O-NE2 2.84Å; H339-Q343 PolarHBondContact O-N 3.08Å; P340-Q343 WeakPolarHBondContact O-CB 3.5Å; P340-Q343 PolarHBondContact O-N 2.86Å; Q343-C346 PolarHBondContact O-N 3.31Å; Q343-R347 WeakPolarHBondContact O-CB 3.4Å; Q343-R347 PolarHBondContact O-N 2.62Å; Q343-L474 HydrophobicContact CG-CD2 3.59Å; Q343-L479 PolarHBondContact NE2-O 3.25Å
344	Q	98.6	Very high	98.1	Very high	78 Å²	78	46.9 Å²	46.9	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-65.3	-44.2	179.7	-179.3	54.4	26.6	0	0	111.7	P340 H342 C346 R347 E348	P340-Q344 WeakPolarHBondContact O-CB 3.47Å; P340-Q344 PolarHBondContact O-N 2.95Å; H342-Q344 VanDerWaalsContact C-N 3.34Å; Q344-C346 PolarHBondContact O-N 3.16Å; Q344-R347 WeakPolarHBondContact O-CB 3.4Å; Q344-R347 PolarHBondContact O-N 3.32Å; Q344-R347 VanDerWaalsContact O-N 3.14Å; Q344-E348 WeakPolarHBondContact CG-OE1 3.43Å; Q344-E348 PolarHBondContact NE2-OE1 3.08Å; Q344-E348 WeakPolarHBondContact O-CG 3.42Å; Q344-E348 PolarHBondContact O-N 3.15Å
345	R	98.5	Very high	97.7	Very high	132 Å²	132	48 Å²	48	50%	0.498	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-39	175	-71.7	177.4	65.5	179	3.6	113.2	D341 H342 R347 E349 Y370	D341-R345 WeakPolarHBondContact O-CG 3.4Å; D341-R345 PolarHBondContact O-N 2.96Å; D341-R345 VanDerWaalsContact O-N 3.11Å; H342-R345 PolarHBondContact O-N 3.48Å; R345-R347 VanDerWaalsContact C-N 3.34Å; R345-E349 PolarHBondContact O-N 3.31Å; R345-E349 VanDerWaalsContact O-N 3.08Å; R345-Y370 HydrophobicContact CB-CD1 3.87Å; R345-Y370 HydrophobicContact CB-CE1 3.37Å; R345-Y370 HydrophobicContact CG-CE1 4.41Å; R345-Y370 PolarHBondContact NE-OH 3.42Å; R345-Y370 PolarHBondContact NH1-OH 2.89Å
346	C	98.7	Very high	97.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-41.9	171.8	-70.4	0	0	0	0	111.3	H342 Q343 Q344 E349 V350 C374 L474	H342-C346 WeakPolarHBondContact O-CB 3.48Å; H342-C346 PolarHBondContact O-N 3.39Å; H342-C346 PolarHBondContact O-SG 3.31Å; Q343-C346 PolarHBondContact O-N 3.31Å; Q344-C346 PolarHBondContact O-N 3.16Å; C346-E349 PolarHBondContact O-N 2.98Å; C346-V350 WeakPolarHBondContact O-CG2 3.45Å; C346-V350 PolarHBondContact O-N 3.33Å; C346-C374 PolarHBondContact SG-SG 3.41Å; C346-L474 HydrophobicContact CB-CD1 3.51Å
347	R	98.4	Very high	97	Very high	19 Å²	19	56.8 Å²	56.8	7%	0.072	32%	0.321	C	S	.	.	H	α-helix	trans	-60.9	-48.1	176.3	178.9	-179.4	-62.6	106.7	4.1	111.6	Q343 Q344 R345 E349 V350 Q351 L474 F477	Q343-R347 WeakPolarHBondContact O-CB 3.4Å; Q343-R347 PolarHBondContact O-N 2.62Å; Q344-R347 WeakPolarHBondContact O-CB 3.4Å; Q344-R347 PolarHBondContact O-N 3.32Å; Q344-R347 VanDerWaalsContact O-N 3.14Å; R345-R347 VanDerWaalsContact C-N 3.34Å; R347-E349 VanDerWaalsContact C-N 3.35Å; R347-E349 PolarHBondContact O-N 3.31Å; R347-V350 PolarHBondContact O-N 3.47Å; R347-Q351 WeakPolarHBondContact O-CB 3.4Å; R347-Q351 PolarHBondContact O-N 3.18Å; R347-L474 HydrophobicContact CB-CB 4.41Å; R347-L474 PolarHBondContact NE-O 3.02Å; R347-L474 VanDerWaalsContact NE-O 3.08Å; R347-F477 PolarHBondContact NH2-O 3.4Å; R347-F477 VanDerWaalsContact NH2-O 3.17Å
348	E	98.4	Very high	96.7	Very high	99 Å²	99	58.9 Å²	58.9	46%	0.463	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-44.8	177.4	-73.1	163.5	-171.6	0	0	111.9	Q344 V350 Q351 S352	Q344-E348 WeakPolarHBondContact CG-OE1 3.43Å; Q344-E348 PolarHBondContact NE2-OE1 3.08Å; Q344-E348 WeakPolarHBondContact O-CG 3.42Å; Q344-E348 PolarHBondContact O-N 3.15Å; E348-V350 PolarHBondContact O-N 3.09Å; E348-Q351 PolarHBondContact O-N 3.03Å; E348-S352 WeakPolarHBondContact O-CB 3.31Å; E348-S352 PolarHBondContact O-N 3.29Å
349	E	98.3	Very high	96.5	Very high	28 Å²	28	61.4 Å²	61.4	13%	0.131	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-48.2	175.4	-177.2	-179.9	-111.4	0	0	111.2	R345 C346 R347 S352 L353 M368 P369 Y370 T371	R345-E349 PolarHBondContact O-N 3.31Å; R345-E349 VanDerWaalsContact O-N 3.08Å; C346-E349 PolarHBondContact O-N 2.98Å; R347-E349 VanDerWaalsContact C-N 3.35Å; R347-E349 PolarHBondContact O-N 3.31Å; E349-S352 PolarHBondContact O-N 3.12Å; E349-S352 PolarHBondContact O-OG 2.82Å; E349-L353 WeakPolarHBondContact O-CG 3.2Å; E349-M368 VanDerWaalsContact CD-CA 3.46Å; E349-M368 VanDerWaalsContact OE2-C 3.27Å; E349-M368 VanDerWaalsContact OE2-CA 3.27Å; E349-M368 WeakPolarHBondContact OE2-CA 3.25Å; E349-M368 WeakPolarHBondContact OE2-CB 3.48Å; E349-P369 WeakPolarHBondContact OE1-CD 3.41Å; E349-P369 WeakPolarHBondContact OE1-CG 3.23Å; E349-Y370 WeakPolarHBondContact OE1-CA 3.12Å; E349-Y370 WeakPolarHBondContact OE1-CB 3.36Å; E349-Y370 PolarHBondContact OE1-N 3.36Å; E349-Y370 PolarHBondContact OE2-N 2.86Å; E349-T371 WeakPolarHBondContact OE2-CB 3.38Å; E349-T371 PolarHBondContact OE2-N 2.79Å; E349-T371 PolarHBondContact OE2-OG1 3.44Å
350	V	97.7	Very high	96.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-69	-40.9	-179.3	176.3	0	0	0	0	111.8	C346 R347 E348 S352 L353 L354 M368 A471 L475	C346-V350 WeakPolarHBondContact O-CG2 3.45Å; C346-V350 PolarHBondContact O-N 3.33Å; R347-V350 PolarHBondContact O-N 3.47Å; E348-V350 PolarHBondContact O-N 3.09Å; V350-S352 VanDerWaalsContact C-N 3.28Å; V350-S352 PolarHBondContact O-N 3.16Å; V350-L353 PolarHBondContact O-N 2.78Å; V350-L354 HydrophobicContact CG1-CD1 4.05Å; V350-L354 PolarHBondContact O-N 2.88Å; V350-M368 HydrophobicContact CG2-SD 3.86Å; V350-A471 HydrophobicContact CG1-CB 3.67Å; V350-A471 HydrophobicContact CG2-CB 3.93Å; V350-L475 HydrophobicContact CG1-CD1 3.8Å; V350-L475 HydrophobicContact CG1-CD2 3.96Å; V350-L475 HydrophobicContact CG1-CG 3.67Å
351	Q	97.3	Very high	96.3	Very high	110 Å²	110	58 Å²	58	51%	0.514	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-33.4	178.7	-168.6	173.9	4.4	0	0	111.4	R347 E348 L353 G355 L475	R347-Q351 WeakPolarHBondContact O-CB 3.4Å; R347-Q351 PolarHBondContact O-N 3.18Å; E348-Q351 PolarHBondContact O-N 3.03Å; Q351-L353 PolarHBondContact O-N 3.3Å; Q351-G355 WeakPolarHBondContact O-CA 3.07Å; Q351-G355 PolarHBondContact O-N 2.93Å; Q351-L475 HydrophobicContact CB-CD2 4.18Å
352	S	96.8	Very high	96.1	Very high	96 Å²	96	53.6 Å²	53.6	67%	0.671	31%	0.308	S	S	*	.	H	α-helix	trans	-63.9	-23.1	173.2	78.6	0	0	0	0	113.8	E348 E349 V350	E348-S352 WeakPolarHBondContact O-CB 3.31Å; E348-S352 PolarHBondContact O-N 3.29Å; E349-S352 PolarHBondContact O-N 3.12Å; E349-S352 PolarHBondContact O-OG 2.82Å; V350-S352 VanDerWaalsContact C-N 3.28Å; V350-S352 PolarHBondContact O-N 3.16Å
353	L	96.2	Very high	96	Very high	31 Å²	31	56.5 Å²	56.5	16%	0.162	33%	0.325	C	S	.	.	H	α-helix	trans	-100.3	-33.5	-177.8	-62.3	172.7	0	0	0	113.6	E349 V350 Q351 Q367 M368	E349-L353 WeakPolarHBondContact O-CG 3.2Å; V350-L353 PolarHBondContact O-N 2.78Å; Q351-L353 PolarHBondContact O-N 3.3Å; L353-Q367 HydrophobicContact CD1-CB 3.84Å; L353-Q367 WeakPolarHBondContact CD1-O 3.48Å; L353-Q367 HydrophobicContact CD2-CB 3.84Å; L353-M368 HydrophobicContact CD1-CG 3.56Å
354	L	95.6	Very high	95.9	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-129.7	5	-168.4	-56.8	177.3	0	0	0	113.1	V350 D356 G357 I360 H364 A471 L475	V350-L354 HydrophobicContact CG1-CD1 4.05Å; V350-L354 PolarHBondContact O-N 2.88Å; L354-D356 PolarHBondContact O-N 3.21Å; L354-G357 PolarHBondContact O-N 3.36Å; L354-G357 VanDerWaalsContact O-N 3.09Å; L354-I360 HydrophobicContact CD1-CB 3.92Å; L354-I360 HydrophobicContact CD1-CD1 4.01Å; L354-I360 HydrophobicContact CD1-CG1 4.01Å; L354-I360 HydrophobicContact CD2-CB 4.3Å; L354-H364 HydrophobicContact CD2-CB 4.49Å; L354-H364 WeakPolarHBondContact CD2-ND1 3.5Å; L354-A471 HydrophobicContact CD1-CB 4.49Å; L354-L475 HydrophobicContact CB-CD1 3.84Å; L354-L475 HydrophobicContact CD1-CD1 4.13Å
355	G	89.9	Confident	95.8	Very high	50 Å²	50	54.5 Å²	54.5	52%	0.515	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.5	-177.4	0	0	0	0	0	114.1	Q351 G357	Q351-G355 WeakPolarHBondContact O-CA 3.07Å; Q351-G355 PolarHBondContact O-N 2.93Å; G355-G357 PolarHBondContact O-N 3.39Å
356	D	92.2	Very high	95.6	Very high	119 Å²	119	54.2 Å²	54.2	64%	0.636	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-4	172.4	67.7	-17.1	0	0	0	113.3	L354 S358	L354-D356 PolarHBondContact O-N 3.21Å; D356-S358 VanDerWaalsContact CG-OG 3.23Å; D356-S358 WeakPolarHBondContact OD1-CB 3.43Å; D356-S358 PolarHBondContact OD1-N 2.65Å; D356-S358 PolarHBondContact OD1-OG 2.94Å; D356-S358 PolarHBondContact OD2-OG 3.26Å
357	G	90.5	Very high	95.5	Very high	69 Å²	69	59 Å²	59	71%	0.711	34%	0.342	S	S	*	.			trans	85	6.8	-175.9	0	0	0	0	0	114.1	L354 G355	L354-G357 PolarHBondContact O-N 3.36Å; L354-G357 VanDerWaalsContact O-N 3.09Å; G355-G357 PolarHBondContact O-N 3.39Å
358	S	91.8	Very high	95.4	Very high	48 Å²	48	58.2 Å²	58.2	34%	0.336	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-61.4	140.3	175.8	-76.2	0	0	0	0	111.5	D356	D356-S358 VanDerWaalsContact CG-OG 3.23Å; D356-S358 WeakPolarHBondContact OD1-CB 3.43Å; D356-S358 PolarHBondContact OD1-N 2.65Å; D356-S358 PolarHBondContact OD1-OG 2.94Å; D356-S358 PolarHBondContact OD2-OG 3.26Å
359	P	94.3	Very high	95.4	Very high	100 Å²	100	57.2 Å²	57.2	65%	0.649	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-64.7	141.6	175.9	26.7	-33.5	0	0	0	110.8	T361	P359-T361 WeakPolarHBondContact O-CG2 3.47Å; P359-T361 PolarHBondContact O-N 3.18Å
360	I	97	Very high	95.4	Very high	8 Å²	8	57 Å²	57	4%	0.041	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-64.1	132.1	175.2	-168.7	167.5	0	0	0	110.7	V158 A162 L354 H364 L365 M368 V468 A471 L472	V158-I360 HydrophobicContact CG1-CG2 4.36Å; A162-I360 HydrophobicContact CB-CG2 3.63Å; L354-I360 HydrophobicContact CD1-CB 3.92Å; L354-I360 HydrophobicContact CD1-CD1 4.01Å; L354-I360 HydrophobicContact CD1-CG1 4.01Å; L354-I360 HydrophobicContact CD2-CB 4.3Å; I360-H364 HydrophobicContact CG1-CB 4.14Å; I360-L365 HydrophobicContact CD1-CD2 3.84Å; I360-L365 HydrophobicContact CG1-CD2 4.18Å; I360-M368 HydrophobicContact CD1-CE 4.23Å; I360-V468 HydrophobicContact CD1-CB 4.48Å; I360-V468 HydrophobicContact CD1-CG2 4.08Å; I360-V468 HydrophobicContact CG2-CG1 4.25Å; I360-A471 HydrophobicContact CD1-CB 3.89Å; I360-L472 HydrophobicContact CG2-CD1 4.31Å; I360-L472 HydrophobicContact CG2-CD2 4.26Å; I360-L472 HydrophobicContact CG2-CG 4.49Å
361	T	95.8	Very high	95.4	Very high	54 Å²	54	57 Å²	57	33%	0.331	34%	0.339	S	S	.	.			trans	-119.7	170.6	-177.8	70.2	0	0	0	0	110.4	P359 D363 H364 L365	P359-T361 WeakPolarHBondContact O-CG2 3.47Å; P359-T361 PolarHBondContact O-N 3.18Å; T361-D363 PolarHBondContact O-N 2.87Å; T361-D363 PolarHBondContact OG1-N 3.33Å; T361-H364 PolarHBondContact N-ND1 2.95Å; T361-H364 VanDerWaalsContact N-ND1 3.13Å; T361-H364 PolarHBondContact O-N 2.65Å; T361-H364 PolarHBondContact OG1-N 3.19Å; T361-H364 PolarHBondContact OG1-ND1 2.86Å; T361-L365 PolarHBondContact O-N 2.66Å
362	W	95.3	Very high	95.5	Very high	36 Å²	36	52.8 Å²	52.8	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-54.6	-41.1	172.5	175.7	-88.9	0	0	0	112.8	L154 K155 V158 H364 L365 H366 N464	L154-W362 HydrophobicContact CB-CE3 4.36Å; L154-W362 HydrophobicContact CB-CH2 4.13Å; L154-W362 HydrophobicContact CB-CZ3 3.47Å; L154-W362 VanDerWaalsContact CB-CZ3 3.47Å; L154-W362 HydrophobicContact CD1-CH2 4.42Å; L154-W362 HydrophobicContact CD1-CZ3 4.4Å; K155-W362 HydrophobicContact CB-CB 4.47Å; K155-W362 HydrophobicContact CB-CD2 4.3Å; K155-W362 HydrophobicContact CB-CE3 4.3Å; K155-W362 HydrophobicContact CB-CG 4.36Å; K155-W362 HydrophobicContact CD-CD2 4.48Å; K155-W362 HydrophobicContact CD-CG 4.4Å; K155-W362 HydrophobicContact CG-CB 4Å; K155-W362 HydrophobicContact CG-CD2 3.36Å; K155-W362 HydrophobicContact CG-CE3 3.74Å; K155-W362 HydrophobicContact CG-CG 3.44Å; K155-W362 VanDerWaalsContact CG-CG 3.44Å; K155-W362 HydrophobicContact CG-CZ2 4.42Å; K155-W362 HydrophobicContact CG-CZ3 4.36Å; V158-W362 HydrophobicContact CG2-CB 4.23Å; V158-W362 HydrophobicContact CG2-CE3 4Å; W362-H364 VanDerWaalsContact C-N 3.34Å; W362-H364 PolarHBondContact O-N 2.76Å; W362-L365 WeakPolarHBondContact O-CB 3.39Å; W362-L365 PolarHBondContact O-N 3.48Å; W362-L365 VanDerWaalsContact O-N 3.15Å; W362-H366 AromaticContact CE2-NE2 3.6Å; W362-H366 AromaticContact CZ2-NE2 3.79Å; W362-H366 AromaticContact NE1-CD2 3.66Å; W362-H366 AromaticContact NE1-NE2 3.22Å; W362-H366 PolarHBondContact NE1-NE2 3.1Å; W362-N464 WeakPolarHBondContact CZ3-ND2 3.15Å
363	D	95.3	Very high	95.6	Very high	101 Å²	101	49.9 Å²	49.9	54%	0.54	30%	0.297	S	S	.	.	H	α-helix	trans	-70.6	-33.1	-176	-63.2	-32.3	0	0	0	111.6	T361 L365 H366 Q367	T361-D363 PolarHBondContact O-N 2.87Å; T361-D363 PolarHBondContact OG1-N 3.33Å; D363-L365 PolarHBondContact O-N 3.42Å; D363-H366 PolarHBondContact O-N 3.32Å; D363-Q367 PolarHBondContact O-NE2 3.47Å
364	H	96.8	Very high	95.7	Very high	35 Å²	35	48.4 Å²	48.4	16%	0.162	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-32.6	172.2	-60.7	147.5	0	0	0	111.9	L354 I360 T361 W362 H366 Q367	L354-H364 HydrophobicContact CD2-CB 4.49Å; L354-H364 WeakPolarHBondContact CD2-ND1 3.5Å; I360-H364 HydrophobicContact CG1-CB 4.14Å; T361-H364 PolarHBondContact N-ND1 2.95Å; T361-H364 VanDerWaalsContact N-ND1 3.13Å; T361-H364 PolarHBondContact O-N 2.65Å; T361-H364 PolarHBondContact OG1-N 3.19Å; T361-H364 PolarHBondContact OG1-ND1 2.86Å; W362-H364 VanDerWaalsContact C-N 3.34Å; W362-H364 PolarHBondContact O-N 2.76Å; H364-H366 PolarHBondContact O-N 3.44Å; H364-Q367 PolarHBondContact O-N 3.29Å
365	L	96.5	Very high	95.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-28.7	179.5	-54.8	-174.2	0	0	0	113.4	V158 I360 T361 W362 D363 M368 N464 K467 V468	V158-L365 HydrophobicContact CG1-CD1 4.42Å; V158-L365 HydrophobicContact CG2-CD1 3.87Å; I360-L365 HydrophobicContact CD1-CD2 3.84Å; I360-L365 HydrophobicContact CG1-CD2 4.18Å; T361-L365 PolarHBondContact O-N 2.66Å; W362-L365 WeakPolarHBondContact O-CB 3.39Å; W362-L365 PolarHBondContact O-N 3.48Å; W362-L365 VanDerWaalsContact O-N 3.15Å; D363-L365 PolarHBondContact O-N 3.42Å; L365-M368 HydrophobicContact CB-CE 4.49Å; L365-M368 HydrophobicContact CD2-CE 3.67Å; L365-N464 HydrophobicContact CD1-CB 3.73Å; L365-N464 VanDerWaalsContact CD1-CG 3.46Å; L365-K467 HydrophobicContact CB-CD 4.23Å; L365-K467 HydrophobicContact CD2-CB 4.02Å; L365-K467 PolarHBondContact O-NZ 3.06Å; L365-V468 HydrophobicContact CD2-CG2 3.83Å
366	H	93.8	Very high	96.3	Very high	127 Å²	127	49.1 Å²	49.1	59%	0.588	28%	0.278	S	S	*	.	H	α-helix	trans	-82	-19.6	177.1	-68.7	-69.8	0	0	0	113	W362 D363 H364 M368	W362-H366 AromaticContact CE2-NE2 3.6Å; W362-H366 AromaticContact CZ2-NE2 3.79Å; W362-H366 AromaticContact NE1-CD2 3.66Å; W362-H366 AromaticContact NE1-NE2 3.22Å; W362-H366 PolarHBondContact NE1-NE2 3.1Å; D363-H366 PolarHBondContact O-N 3.32Å; H364-H366 PolarHBondContact O-N 3.44Å; H366-M368 VanDerWaalsContact C-N 3.33Å
367	Q	96.7	Very high	96.6	Very high	101 Å²	101	43.4 Å²	43.4	47%	0.472	25%	0.248	S	C	.	.	S	Bend	trans	-91.6	9.9	-176.9	-63.8	177.3	57.6	0	0	113.5	L353 D363 H364 P369	L353-Q367 HydrophobicContact CD1-CB 3.84Å; L353-Q367 WeakPolarHBondContact CD1-O 3.48Å; L353-Q367 HydrophobicContact CD2-CB 3.84Å; D363-Q367 PolarHBondContact O-NE2 3.47Å; H364-Q367 PolarHBondContact O-N 3.29Å; Q367-P369 WeakPolarHBondContact O-CD 3.23Å
368	M	97.4	Very high	97	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.214	C	C	.	.			trans	-111.8	58.6	177.2	-63.9	-176.7	-77.1	0	0	112.9	E349 V350 L353 I360 L365 H366 Y370 T372 K467 A471	E349-M368 VanDerWaalsContact CD-CA 3.46Å; E349-M368 VanDerWaalsContact OE2-C 3.27Å; E349-M368 VanDerWaalsContact OE2-CA 3.27Å; E349-M368 WeakPolarHBondContact OE2-CA 3.25Å; E349-M368 WeakPolarHBondContact OE2-CB 3.48Å; V350-M368 HydrophobicContact CG2-SD 3.86Å; L353-M368 HydrophobicContact CD1-CG 3.56Å; I360-M368 HydrophobicContact CD1-CE 4.23Å; L365-M368 HydrophobicContact CB-CE 4.49Å; L365-M368 HydrophobicContact CD2-CE 3.67Å; H366-M368 VanDerWaalsContact C-N 3.33Å; M368-Y370 PolarHBondContact O-N 2.99Å; M368-T372 WeakPolarHBondContact O-CB 3.26Å; M368-T372 PolarHBondContact O-N 2.62Å; M368-T372 PolarHBondContact O-OG1 3.16Å; M368-K467 HydrophobicContact CE-CB 3.97Å; M368-K467 HydrophobicContact CE-CD 4.47Å; M368-A471 HydrophobicContact CE-CB 4.48Å; M368-A471 HydrophobicContact SD-CB 3.92Å
369	P	97.3	Very high	97.3	Very high	79 Å²	79	38 Å²	38	51%	0.513	20%	0.199	S	C	.	.	H	α-helix	trans	-62.1	-40.4	-176.4	25.8	-35	0	0	0	113.3	E349 Q367 T372 M373	E349-P369 WeakPolarHBondContact OE1-CD 3.41Å; E349-P369 WeakPolarHBondContact OE1-CG 3.23Å; Q367-P369 WeakPolarHBondContact O-CD 3.23Å; P369-T372 WeakPolarHBondContact O-CB 3.27Å; P369-T372 PolarHBondContact O-N 2.95Å; P369-M373 WeakPolarHBondContact O-CG 3.42Å; P369-M373 PolarHBondContact O-N 2.79Å
370	Y	98.5	Very high	97.5	Very high	23 Å²	23	33.3 Å²	33.3	9%	0.09	17%	0.168	C	C	.	.	H	α-helix	trans	-70	-45.5	-178.6	-169.5	-97.8	0	0	0	112.2	H342 R345 E349 M368 T372 M373 C374	H342-Y370 AromaticContact ND1-CZ 3.99Å; H342-Y370 PolarHBondContact ND1-OH 3.22Å; R345-Y370 HydrophobicContact CB-CD1 3.87Å; R345-Y370 HydrophobicContact CB-CE1 3.37Å; R345-Y370 HydrophobicContact CG-CE1 4.41Å; R345-Y370 PolarHBondContact NE-OH 3.42Å; R345-Y370 PolarHBondContact NH1-OH 2.89Å; E349-Y370 WeakPolarHBondContact OE1-CA 3.12Å; E349-Y370 WeakPolarHBondContact OE1-CB 3.36Å; E349-Y370 PolarHBondContact OE1-N 3.36Å; E349-Y370 PolarHBondContact OE2-N 2.86Å; M368-Y370 PolarHBondContact O-N 2.99Å; Y370-T372 PolarHBondContact O-N 3.36Å; Y370-M373 HydrophobicContact CD2-CE 3.53Å; Y370-M373 HydrophobicContact CE2-CE 4.26Å; Y370-M373 HydrophobicContact CG-CE 4.29Å; Y370-M373 WeakPolarHBondContact O-CB 3.36Å; Y370-M373 PolarHBondContact O-N 3.5Å; Y370-C374 VanDerWaalsContact CE1-SG 3.57Å; Y370-C374 PolarHBondContact O-N 3.22Å; Y370-C374 PolarHBondContact O-SG 3Å
371	T	98.7	Very high	97.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-38.6	172.7	-55.2	0	0	0	0	110.5	E349 M373 C374 I375 V470	E349-T371 WeakPolarHBondContact OE2-CB 3.38Å; E349-T371 PolarHBondContact OE2-N 2.79Å; E349-T371 PolarHBondContact OE2-OG1 3.44Å; T371-M373 VanDerWaalsContact C-N 3.35Å; T371-M373 PolarHBondContact O-N 2.82Å; T371-C374 PolarHBondContact O-N 3.46Å; T371-I375 HydrophobicContact CG2-CD1 4.05Å; T371-I375 VanDerWaalsContact O-CG1 3.29Å; T371-I375 WeakPolarHBondContact O-CG1 3.48Å; T371-I375 PolarHBondContact O-N 3.48Å; T371-V470 HydrophobicContact CG2-CB 4.23Å; T371-V470 HydrophobicContact CG2-CG1 3.56Å
372	T	98.5	Very high	97.7	Very high	21 Å²	21	32.5 Å²	32.5	13%	0.129	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-41.1	174.3	-55.8	0	0	0	0	112.2	M368 P369 Y370 I375 K376 M463 K467	M368-T372 WeakPolarHBondContact O-CB 3.26Å; M368-T372 PolarHBondContact O-N 2.62Å; M368-T372 PolarHBondContact O-OG1 3.16Å; P369-T372 WeakPolarHBondContact O-CB 3.27Å; P369-T372 PolarHBondContact O-N 2.95Å; Y370-T372 PolarHBondContact O-N 3.36Å; T372-I375 PolarHBondContact O-N 2.76Å; T372-K376 HydrophobicContact CG2-CD 4.5Å; T372-K376 WeakPolarHBondContact O-CG 3.37Å; T372-K376 PolarHBondContact O-N 3.44Å; T372-M463 HydrophobicContact CG2-CE 4.41Å; T372-K467 WeakPolarHBondContact OG1-CE 3.35Å; T372-K467 PolarHBondContact OG1-NZ 2.79Å
373	M	98.6	Very high	97.8	Very high	34 Å²	34	30.8 Å²	30.8	17%	0.167	15%	0.153	C	C	.	.	H	α-helix	trans	-63.6	-44.6	176	-72	-171.7	-69.1	0	0	111.5	P369 Y370 T371 I375 K376 E377 P432 F435 A436	P369-M373 WeakPolarHBondContact O-CG 3.42Å; P369-M373 PolarHBondContact O-N 2.79Å; Y370-M373 HydrophobicContact CD2-CE 3.53Å; Y370-M373 HydrophobicContact CE2-CE 4.26Å; Y370-M373 HydrophobicContact CG-CE 4.29Å; Y370-M373 WeakPolarHBondContact O-CB 3.36Å; Y370-M373 PolarHBondContact O-N 3.5Å; T371-M373 VanDerWaalsContact C-N 3.35Å; T371-M373 PolarHBondContact O-N 2.82Å; M373-I375 PolarHBondContact O-N 2.79Å; M373-K376 PolarHBondContact O-N 3Å; M373-E377 PolarHBondContact O-N 3.04Å; M373-P432 HydrophobicContact CB-CB 3.9Å; M373-P432 WeakPolarHBondContact CB-O 3.47Å; M373-F435 HydrophobicContact CB-CB 4.29Å; M373-F435 HydrophobicContact CG-CB 3.97Å; M373-A436 VanDerWaalsContact SD-CA 3.53Å; M373-A436 HydrophobicContact SD-CB 4.07Å; M373-A436 PolarHBondContact SD-N 2.89Å
374	C	98.8	Very high	98	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-41.8	176.9	-64.3	0	0	0	0	112.1	L336 C346 Y370 T371 K376 E377 A378 F430 P432	L336-C374 HydrophobicContact CD2-CB 4.12Å; C346-C374 PolarHBondContact SG-SG 3.41Å; Y370-C374 VanDerWaalsContact CE1-SG 3.57Å; Y370-C374 PolarHBondContact O-N 3.22Å; Y370-C374 PolarHBondContact O-SG 3Å; T371-C374 PolarHBondContact O-N 3.46Å; C374-K376 PolarHBondContact O-N 2.98Å; C374-E377 PolarHBondContact O-N 2.78Å; C374-A378 WeakPolarHBondContact O-CB 3.27Å; C374-A378 PolarHBondContact O-N 3.47Å; C374-F430 HydrophobicContact CB-CZ 4.18Å; C374-P432 HydrophobicContact CB-CG 4.46Å; C374-P432 WeakPolarHBondContact SG-CG 3.32Å
375	I	98.8	Very high	98	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-46.5	173.8	-70.4	164.8	0	0	0	110.4	V332 T371 T372 M373 E377 A378 L379 M463 L466 K467 V470	V332-I375 HydrophobicContact CG1-CG1 4.12Å; V332-I375 HydrophobicContact CG2-CG2 4.31Å; T371-I375 HydrophobicContact CG2-CD1 4.05Å; T371-I375 VanDerWaalsContact O-CG1 3.29Å; T371-I375 WeakPolarHBondContact O-CG1 3.48Å; T371-I375 PolarHBondContact O-N 3.48Å; T372-I375 PolarHBondContact O-N 2.76Å; M373-I375 PolarHBondContact O-N 2.79Å; I375-E377 VanDerWaalsContact C-N 3.35Å; I375-E377 PolarHBondContact O-N 2.71Å; I375-A378 PolarHBondContact O-N 3.37Å; I375-L379 HydrophobicContact CG2-CD1 4.03Å; I375-L379 HydrophobicContact CG2-CG 4.38Å; I375-L379 VanDerWaalsContact O-CG 3.27Å; I375-L379 WeakPolarHBondContact O-CG 3.36Å; I375-L379 PolarHBondContact O-N 2.83Å; I375-M463 HydrophobicContact CG2-CE 3.83Å; I375-M463 HydrophobicContact CG2-SD 4.31Å; I375-L466 HydrophobicContact CD1-CB 4.32Å; I375-L466 HydrophobicContact CG2-CB 4.22Å; I375-L466 HydrophobicContact CG2-CD1 4.16Å; I375-K467 HydrophobicContact CD1-CB 4.46Å; I375-K467 HydrophobicContact CD1-CG 3.75Å; I375-V470 HydrophobicContact CD1-CG2 4.22Å; I375-V470 HydrophobicContact CG1-CG2 4.2Å
376	K	98.7	Very high	98	Very high	70 Å²	70	27.2 Å²	27.2	30%	0.304	14%	0.135	S	C	.	.	H	α-helix	trans	-63.1	-41.1	179.4	-74.8	177.4	178.6	178.1	0	112.2	T372 M373 C374 L379 R380 F435 F446	T372-K376 HydrophobicContact CG2-CD 4.5Å; T372-K376 WeakPolarHBondContact O-CG 3.37Å; T372-K376 PolarHBondContact O-N 3.44Å; M373-K376 PolarHBondContact O-N 3Å; C374-K376 PolarHBondContact O-N 2.98Å; K376-L379 CarbonylContact O-C 3.42Å; K376-L379 PolarHBondContact O-N 2.8Å; K376-R380 PolarHBondContact O-N 2.91Å; K376-F435 HydrophobicContact CB-CB 4.34Å; K376-F435 HydrophobicContact CB-CD1 3.9Å; K376-F435 HydrophobicContact CB-CD2 3.63Å; K376-F435 HydrophobicContact CB-CE1 4.06Å; K376-F435 HydrophobicContact CB-CE2 3.8Å; K376-F435 HydrophobicContact CB-CG 3.67Å; K376-F435 HydrophobicContact CB-CZ 4.01Å; K376-F435 HydrophobicContact CD-CB 3.96Å; K376-F435 HydrophobicContact CD-CD1 3.67Å; K376-F435 HydrophobicContact CD-CE1 4.32Å; K376-F435 HydrophobicContact CD-CG 3.82Å; K376-F435 HydrophobicContact CG-CD1 4.4Å; K376-F435 HydrophobicContact CG-CG 4.44Å; K376-F446 HydrophobicContact CB-CE1 4.22Å; K376-F446 HydrophobicContact CB-CZ 3.88Å; K376-F446 HydrophobicContact CD-CE1 4.42Å; K376-F446 HydrophobicContact CG-CE1 4.03Å; K376-F446 HydrophobicContact CG-CZ 4.11Å; K376-F446 VanDerWaalsContact O-CE2 3.26Å; K376-F446 WeakPolarHBondContact O-CE2 3.39Å; K376-F446 WeakPolarHBondContact O-CZ 3.36Å
377	E	98.8	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.6	-39.9	177.7	-176.6	64.8	174.3	0	0	112.2	M373 C374 I375 L379 R380 L381 V429 F430 D431 R434 F435	M373-E377 PolarHBondContact O-N 3.04Å; C374-E377 PolarHBondContact O-N 2.78Å; I375-E377 VanDerWaalsContact C-N 3.35Å; I375-E377 PolarHBondContact O-N 2.71Å; E377-L379 VanDerWaalsContact C-N 3.33Å; E377-L379 PolarHBondContact O-N 3.27Å; E377-R380 VanDerWaalsContact CD-NE 3.31Å; E377-R380 WeakPolarHBondContact O-CB 3.47Å; E377-R380 PolarHBondContact O-N 2.65Å; E377-R380 VanDerWaalsContact O-N 3.13Å; E377-R380 IonicContact OE1-CZ 3.92Å; E377-R380 IonicContact OE1-NE 2.66Å; E377-R380 PolarHBondContact OE1-NE 3.31Å; E377-R380 IonicContact OE1-NH2 2.78Å; E377-R380 PolarHBondContact OE1-NH2 3.27Å; E377-R380 WeakPolarHBondContact OE2-CD 3.29Å; E377-R380 IonicContact OE2-CZ 2.9Å; E377-R380 IonicContact OE2-NE 2.72Å; E377-R380 PolarHBondContact OE2-NE 3.27Å; E377-R380 IonicContact OE2-NH2 3.2Å; E377-L381 PolarHBondContact O-N 2.95Å; E377-L381 VanDerWaalsContact O-N 3.08Å; E377-V429 VanDerWaalsContact OE1-O 3.08Å; E377-F430 HydrophobicContact CB-CD2 4.29Å; E377-F430 HydrophobicContact CB-CE2 3.92Å; E377-F430 HydrophobicContact CB-CZ 4.1Å; E377-F430 HydrophobicContact CG-CB 4.47Å; E377-F430 HydrophobicContact CG-CD1 4.21Å; E377-F430 HydrophobicContact CG-CD2 3.57Å; E377-F430 HydrophobicContact CG-CE1 4.37Å; E377-F430 HydrophobicContact CG-CE2 3.72Å; E377-F430 HydrophobicContact CG-CG 3.82Å; E377-F430 HydrophobicContact CG-CZ 4.14Å; E377-D431 PolarHBondContact OE1-N 2.86Å; E377-R434 IonicContact OE1-NE 3.75Å; E377-R434 PolarHBondContact OE1-NE 3Å; E377-F435 HydrophobicContact CB-CD2 4.22Å; E377-F435 HydrophobicContact CB-CE2 4.08Å; E377-F435 VanDerWaalsContact OE2-CE2 3.3Å; E377-F435 WeakPolarHBondContact OE2-CE2 3.23Å
378	A	98.8	Very high	98	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-41	170.9	0	0	0	0	0	111.9	V332 A335 C374 I375 R380 L381 Y382 F430	V332-A378 HydrophobicContact CB-CB 4.25Å; V332-A378 HydrophobicContact CG2-CB 3.66Å; A335-A378 HydrophobicContact CB-CB 3.83Å; C374-A378 WeakPolarHBondContact O-CB 3.27Å; C374-A378 PolarHBondContact O-N 3.47Å; I375-A378 PolarHBondContact O-N 3.37Å; A378-R380 VanDerWaalsContact C-N 3.26Å; A378-R380 PolarHBondContact O-N 2.9Å; A378-L381 PolarHBondContact O-N 2.79Å; A378-Y382 WeakPolarHBondContact O-CA 2.86Å; A378-Y382 WeakPolarHBondContact O-CB 3.12Å; A378-Y382 PolarHBondContact O-N 3.11Å; A378-F430 HydrophobicContact CB-CE2 4.06Å
379	L	98.7	Very high	97.9	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-70.7	-19.3	175.9	-66.7	176.9	0	0	0	113.4	I375 K376 E377 P383 P384 F446 P448 F449 M463 L466	I375-L379 HydrophobicContact CG2-CD1 4.03Å; I375-L379 HydrophobicContact CG2-CG 4.38Å; I375-L379 VanDerWaalsContact O-CG 3.27Å; I375-L379 WeakPolarHBondContact O-CG 3.36Å; I375-L379 PolarHBondContact O-N 2.83Å; K376-L379 CarbonylContact O-C 3.42Å; K376-L379 PolarHBondContact O-N 2.8Å; E377-L379 VanDerWaalsContact C-N 3.33Å; E377-L379 PolarHBondContact O-N 3.27Å; L379-P383 VanDerWaalsContact O-CA 3.25Å; L379-P383 WeakPolarHBondContact O-CA 3.29Å; L379-P383 WeakPolarHBondContact O-CB 3.09Å; L379-P384 HydrophobicContact CD2-CG 3.8Å; L379-F446 HydrophobicContact CB-CE2 4.34Å; L379-F446 HydrophobicContact CB-CZ 4.11Å; L379-P448 HydrophobicContact CB-CB 4.14Å; L379-P448 HydrophobicContact CD1-CB 4.48Å; L379-F449 HydrophobicContact CD1-CE2 4.32Å; L379-F449 HydrophobicContact CD1-CZ 4.4Å; L379-M463 HydrophobicContact CD1-SD 4.13Å; L379-L466 HydrophobicContact CD1-CD1 4.15Å
380	R	98.6	Very high	97.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-73.6	-50.7	171.4	-174.9	-168.8	66.9	73.7	-1.3	109.6	K376 E377 A378 P383 H418 W424 P427 V429 F435 F446	K376-R380 PolarHBondContact O-N 2.91Å; E377-R380 VanDerWaalsContact CD-NE 3.31Å; E377-R380 WeakPolarHBondContact O-CB 3.47Å; E377-R380 PolarHBondContact O-N 2.65Å; E377-R380 VanDerWaalsContact O-N 3.13Å; E377-R380 IonicContact OE1-CZ 3.92Å; E377-R380 IonicContact OE1-NE 2.66Å; E377-R380 PolarHBondContact OE1-NE 3.31Å; E377-R380 IonicContact OE1-NH2 2.78Å; E377-R380 PolarHBondContact OE1-NH2 3.27Å; E377-R380 WeakPolarHBondContact OE2-CD 3.29Å; E377-R380 IonicContact OE2-CZ 2.9Å; E377-R380 IonicContact OE2-NE 2.72Å; E377-R380 PolarHBondContact OE2-NE 3.27Å; E377-R380 IonicContact OE2-NH2 3.2Å; A378-R380 VanDerWaalsContact C-N 3.26Å; A378-R380 PolarHBondContact O-N 2.9Å; R380-P383 WeakPolarHBondContact O-CD 3.34Å; R380-H418 HydrophobicContact CG-CB 3.71Å; R380-H418 PolarHBondContact NH1-O 2.71Å; R380-H418 WeakPolarHBondContact O-CB 3.25Å; R380-H418 PolarHBondContact O-ND1 2.73Å; R380-W424 HydrophobicContact CG-CZ2 4.33Å; R380-P427 VanDerWaalsContact CZ-O 3.25Å; R380-P427 PolarHBondContact NH1-O 3.35Å; R380-P427 PolarHBondContact NH2-O 2.89Å; R380-V429 PolarHBondContact NH2-O 3.25Å; R380-F435 HydrophobicContact CB-CE2 4.46Å; R380-F435 HydrophobicContact CB-CZ 4.3Å; R380-F446 HydrophobicContact CB-CD2 4.16Å; R380-F446 HydrophobicContact CB-CE2 3.89Å; R380-F446 HydrophobicContact CG-CD2 4.49Å
381	L	98.4	Very high	97.8	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-69.1	-34.7	177.4	-68.5	179	0	0	0	112.5	E377 A378 P383 Y415 H419 P427 F430	E377-L381 PolarHBondContact O-N 2.95Å; E377-L381 VanDerWaalsContact O-N 3.08Å; A378-L381 PolarHBondContact O-N 2.79Å; L381-P383 VanDerWaalsContact C-CD 3.49Å; L381-Y415 WeakPolarHBondContact O-CE2 3.4Å; L381-H419 PolarHBondContact O-CE1 3.4Å; L381-P427 VanDerWaalsContact CD2-O 3.3Å; L381-P427 WeakPolarHBondContact CD2-O 3.49Å; L381-F430 HydrophobicContact CD1-CB 4.11Å; L381-F430 HydrophobicContact CD1-CD2 3.83Å; L381-F430 HydrophobicContact CD1-CG 4.47Å
382	Y	98.3	Very high	97.7	Very high	40 Å²	40	18.2 Å²	18.2	16%	0.157	9%	0.089	C	C	.	.	S	Bend	trans	-132.5	64.8	-172.6	-51.2	-67.7	0	0	0	111.5	W331 Y334 A335 A378 P384 P489 L495	W331-Y382 VanDerWaalsContact CB-CB 3.47Å; W331-Y382 HydrophobicContact CB-CD2 4.11Å; W331-Y382 HydrophobicContact CB-CG 3.94Å; W331-Y382 AromaticContact CD2-CD1 3.8Å; W331-Y382 HydrophobicContact CD2-CD1 3.8Å; W331-Y382 HydrophobicContact CD2-CD2 4.34Å; W331-Y382 AromaticContact CD2-CG 3.69Å; W331-Y382 HydrophobicContact CD2-CG 3.69Å; W331-Y382 AromaticContact CE3-CD1 3.42Å; W331-Y382 HydrophobicContact CE3-CD1 3.42Å; W331-Y382 VanDerWaalsContact CE3-CD1 3.42Å; W331-Y382 AromaticContact CE3-CD2 3.87Å; W331-Y382 HydrophobicContact CE3-CD2 3.87Å; W331-Y382 AromaticContact CE3-CE1 3.72Å; W331-Y382 HydrophobicContact CE3-CE1 3.72Å; W331-Y382 HydrophobicContact CE3-CE2 4.13Å; W331-Y382 AromaticContact CE3-CG 3.5Å; W331-Y382 HydrophobicContact CE3-CG 3.5Å; W331-Y382 VanDerWaalsContact CG-CB 3.45Å; W331-Y382 HydrophobicContact CG-CD1 4.45Å; W331-Y382 HydrophobicContact CG-CD2 4.47Å; W331-Y382 AromaticContact CG-CG 3.9Å; W331-Y382 HydrophobicContact CG-CG 3.9Å; W331-Y382 HydrophobicContact CH2-CD1 4.27Å; W331-Y382 HydrophobicContact CH2-CE1 4.37Å; W331-Y382 AromaticContact CZ3-CD1 3.68Å; W331-Y382 HydrophobicContact CZ3-CD1 3.68Å; W331-Y382 AromaticContact CZ3-CE1 3.63Å; W331-Y382 HydrophobicContact CZ3-CE1 3.63Å; W331-Y382 HydrophobicContact CZ3-CG 4.25Å; Y334-Y382 HydrophobicContact CD1-CE2 4.33Å; A335-Y382 HydrophobicContact CB-CE2 4.38Å; A378-Y382 WeakPolarHBondContact O-CA 2.86Å; A378-Y382 WeakPolarHBondContact O-CB 3.12Å; A378-Y382 PolarHBondContact O-N 3.11Å; Y382-P384 WeakPolarHBondContact O-CD 3.26Å; Y382-P489 HydrophobicContact CD1-CG 4.42Å; Y382-P489 HydrophobicContact CE1-CG 4.18Å; Y382-L495 HydrophobicContact CD1-CD2 4.3Å
383	P	98.3	Very high	97.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.			trans	-64.1	123.8	179.3	24.6	-33.2	0	0	0	110.1	L379 R380 L381 I385 Y415 L495	L379-P383 VanDerWaalsContact O-CA 3.25Å; L379-P383 WeakPolarHBondContact O-CA 3.29Å; L379-P383 WeakPolarHBondContact O-CB 3.09Å; R380-P383 WeakPolarHBondContact O-CD 3.34Å; L381-P383 VanDerWaalsContact C-CD 3.49Å; P383-I385 CarbonylContact O-C 3.42Å; P383-I385 PolarHBondContact O-N 2.97Å; P383-Y415 HydrophobicContact CG-CD2 3.97Å; P383-Y415 HydrophobicContact CG-CG 4.44Å; P383-L495 WeakPolarHBondContact O-CB 3.29Å
384	P	98.2	Very high	97.5	Very high	15 Å²	15	21.4 Å²	21.4	10%	0.097	11%	0.113	C	C	.	.	S	Bend	trans	-57	-29.3	-177.2	-30.2	37	0	0	0	113.8	T324 L379 Y382 V494 L495	T324-P384 WeakPolarHBondContact O-CB 3.28Å; L379-P384 HydrophobicContact CD2-CG 3.8Å; Y382-P384 WeakPolarHBondContact O-CD 3.26Å; P384-V494 CarbonylContact O-C 3.59Å; P384-V494 WeakPolarHBondContact O-CA 3.44Å; P384-V494 WeakPolarHBondContact O-CB 3.23Å; P384-L495 PolarHBondContact O-N 3.36Å
385	I	96.9	Very high	97.4	Very high	47 Å²	47	25.4 Å²	25.4	24%	0.241	14%	0.139	C	C	.	.	S	Bend	trans	-112.5	102.9	169.6	-58.7	-65	0	0	0	108	T324 P383 S387 V388 F414 V494	T324-I385 HydrophobicContact CG2-CD1 4.09Å; P383-I385 CarbonylContact O-C 3.42Å; P383-I385 PolarHBondContact O-N 2.97Å; I385-S387 VanDerWaalsContact C-N 3.32Å; I385-S387 PolarHBondContact O-N 3.25Å; I385-V388 HydrophobicContact CG2-CG1 3.73Å; I385-F414 WeakPolarHBondContact O-CD2 3.37Å; I385-V494 HydrophobicContact CD1-CG1 3.85Å
386	P	96.5	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.			trans	-68.2	-30.1	-175.9	-26.5	37.3	0	0	0	114	L72 H413 F414 Y415 Q491 L495	L72-P386 HydrophobicContact CD2-CB 4.41Å; P386-H413 CarbonylContact O-C 3.57Å; P386-F414 PolarHBondContact O-N 3.18Å; P386-Y415 PolarHBondContact O-N 3.34Å; P386-Q491 HydrophobicContact CB-CG 4.38Å; P386-Q491 HydrophobicContact CG-CB 4.32Å; P386-Q491 HydrophobicContact CG-CG 4.07Å; P386-L495 HydrophobicContact CG-CB 3.91Å; P386-L495 HydrophobicContact CG-CD1 3.84Å; P386-L495 HydrophobicContact CG-CG 4.42Å
387	S	95.7	Very high	97.3	Very high	16 Å²	16	26.7 Å²	26.7	11%	0.112	15%	0.153	C	C	.	.			trans	-156.4	152.7	-178.9	58.9	0	0	0	0	113.4	I385 L412 Q491	I385-S387 VanDerWaalsContact C-N 3.32Å; I385-S387 PolarHBondContact O-N 3.25Å; S387-L412 WeakPolarHBondContact CA-O 3.26Å; S387-Q491 PolarHBondContact OG-NE2 3.33Å; S387-Q491 PolarHBondContact OG-OE1 3.42Å
388	V	95.6	Very high	97.2	Very high	22 Å²	22	27 Å²	27	13%	0.133	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.1	171.8	-62.5	0	0	0	0	111.6	Y119 I385 L411 L412 F414	Y119-V388 WeakPolarHBondContact OH-CA 3.31Å; I385-V388 HydrophobicContact CG2-CG1 3.73Å; V388-L411 CarbonylContact O-C 3.5Å; V388-L411 WeakPolarHBondContact O-CA 3.46Å; V388-L412 HydrophobicContact CG2-CB 3.86Å; V388-L412 HydrophobicContact CG2-CD1 4.04Å; V388-L412 HydrophobicContact CG2-CG 4.32Å; V388-L412 PolarHBondContact N-O 3.43Å; V388-L412 PolarHBondContact O-N 3.03Å; V388-F414 HydrophobicContact CB-CE2 4.32Å; V388-F414 HydrophobicContact CG1-CE2 3.85Å; V388-F414 HydrophobicContact CG2-CE2 3.63Å; V388-F414 HydrophobicContact CG2-CZ 3.51Å
389	G	95.5	Very high	97.1	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.1	-177.1	0	0	0	0	0	114.4	K115 A116 Y119 V410	K115-G389 WeakPolarHBondContact CA-O 3.44Å; A116-G389 PolarHBondContact N-O 3.17Å; Y119-G389 PolarHBondContact OH-N 3.08Å; Y119-G389 VanDerWaalsContact OH-N 3.15Å; G389-V410 CarbonylContact C-O 3.48Å; G389-V410 WeakPolarHBondContact CA-O 3.35Å
390	R	96.3	Very high	96.9	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.045	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.3	173	-64.8	-69.9	173.5	-176.1	-7.9	110.4	I108 D113 P114 T409 V410	I108-R390 HydrophobicContact CG2-CB 4.4Å; I108-R390 HydrophobicContact CG2-CG 4.19Å; D113-R390 HydrophobicContact CB-CB 4.42Å; D113-R390 VanDerWaalsContact O-CD 3.26Å; D113-R390 WeakPolarHBondContact O-CD 3.42Å; D113-R390 PolarHBondContact O-NH1 3.13Å; P114-R390 CarbonylContact O-C 3.58Å; P114-R390 WeakPolarHBondContact O-CA 3.31Å; R390-T409 CarbonylContact O-C 2.75Å; R390-T409 VanDerWaalsContact O-CA 3.29Å; R390-T409 WeakPolarHBondContact O-CA 3.33Å; R390-V410 PolarHBondContact N-O 3.4Å; R390-V410 PolarHBondContact O-N 3.43Å
391	K	96.4	Very high	96.8	Very high	90 Å²	90	37.4 Å²	37.4	39%	0.391	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.2	169.4	-175.2	178.3	-178.6	-177.7	0	108.6	P114 S393	P114-K391 VanDerWaalsContact CD-O 3.31Å; P114-K391 WeakPolarHBondContact CD-O 3.16Å; P114-K391 PolarHBondContact O-N 3.08Å; K391-S393 PolarHBondContact O-N 3.21Å
392	L	97.1	Very high	96.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.234	C	C	.	.			trans	-61.6	121.7	-176.1	-63.5	-178.4	0	0	0	111.1	I108 V396 L404 G407 I408 V410	I108-L392 HydrophobicContact CD1-CD2 3.98Å; L392-V396 HydrophobicContact CD1-CG1 3.67Å; L392-V396 HydrophobicContact CD2-CG1 4.25Å; L392-L404 HydrophobicContact CD1-CB 3.62Å; L392-L404 HydrophobicContact CD1-CD1 3.92Å; L392-L404 HydrophobicContact CD1-CG 4.46Å; L392-G407 PolarHBondContact O-N 3.14Å; L392-I408 HydrophobicContact CD1-CB 4.29Å; L392-I408 PolarHBondContact N-O 2.89Å; L392-V410 HydrophobicContact CD1-CG2 3.96Å; L392-V410 HydrophobicContact CD2-CG2 3.92Å; L392-V410 HydrophobicContact CG-CG2 3.86Å
393	S	95.7	Very high	96.6	Very high	51 Å²	51	39.9 Å²	39.9	36%	0.357	24%	0.241	S	C	.	.	S	Bend	trans	-83.2	-28.4	178.2	62.6	0	0	0	0	112.3	D113 K391 K406	D113-S393 WeakPolarHBondContact OD1-CB 3.37Å; D113-S393 PolarHBondContact OD1-N 3.02Å; D113-S393 PolarHBondContact OD1-OG 3.27Å; K391-S393 PolarHBondContact O-N 3.21Å; S393-K406 WeakPolarHBondContact O-CD 3.34Å; S393-K406 WeakPolarHBondContact O-CE 3.18Å; S393-K406 WeakPolarHBondContact O-CG 3.22Å
394	T	97	Very high	96.6	Very high	70 Å²	70	40 Å²	40	43%	0.429	24%	0.242	S	C	.	.	S	Bend	trans	-135.5	162.4	172.7	62.9	0	0	0	0	109.6	R111	R111-T394 PolarHBondContact NH1-OG1 3.36Å; R111-T394 PolarHBondContact NH2-O 3Å; R111-T394 PolarHBondContact NH2-OG1 3.4Å
395	P	97.7	Very high	96.6	Very high	86 Å²	86	41 Å²	41	56%	0.558	25%	0.249	S	C	*	.			trans	-56.5	157.4	171.8	-22.1	34	0	0	0	112.2	R111 L404	R111-P395 PolarHBondContact NH1-O 3.25Å; P395-L404 WeakPolarHBondContact CA-O 3.04Å
396	V	97.7	Very high	96.5	Very high	8 Å²	8	45.4 Å²	45.4	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.9	177.5	64.6	0	0	0	0	110.2	V107 I108 L392 F398 S403 L404	V107-V396 HydrophobicContact CG1-CG2 3.38Å; I108-V396 HydrophobicContact CD1-CG1 4.15Å; I108-V396 HydrophobicContact CD1-CG2 4.31Å; L392-V396 HydrophobicContact CD1-CG1 3.67Å; L392-V396 HydrophobicContact CD2-CG1 4.25Å; V396-F398 HydrophobicContact CG1-CE2 4.43Å; V396-F398 HydrophobicContact CG1-CZ 4.17Å; V396-S403 CarbonylContact O-C 3.51Å; V396-S403 WeakPolarHBondContact O-CA 3.17Å; V396-S403 WeakPolarHBondContact O-CB 3.48Å; V396-L404 HydrophobicContact CG1-CB 3.91Å; V396-L404 HydrophobicContact CG1-CD1 4.24Å; V396-L404 PolarHBondContact N-O 2.65Å; V396-L404 PolarHBondContact O-N 3.49Å
397	T	97.6	Very high	96.5	Very high	89 Å²	89	46.9 Å²	46.9	55%	0.546	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.1	173.4	-59.2	0	0	0	0	108.4	R402 S403	T397-R402 WeakPolarHBondContact CA-O 3.44Å; T397-S403 WeakPolarHBondContact CG2-OG 2.85Å; T397-S403 PolarHBondContact OG1-OG 3.35Å
398	F	97.3	Very high	96.5	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.026	28%	0.278	C	S	.	.			trans	-93.7	164.3	-180	-60.9	-71.6	0	0	0	111.5	F51 Y104 V107 I108 V396 D400 G401 R402 L404	F51-F398 HydrophobicContact CE1-CE2 4.39Å; F51-F398 HydrophobicContact CZ-CD2 4.02Å; F51-F398 AromaticContact CZ-CE2 3.86Å; F51-F398 HydrophobicContact CZ-CE2 3.86Å; Y104-F398 HydrophobicContact CD1-CB 4.4Å; Y104-F398 AromaticContact CD1-CD1 3.45Å; Y104-F398 HydrophobicContact CD1-CD1 3.45Å; Y104-F398 VanDerWaalsContact CD1-CD1 3.45Å; Y104-F398 AromaticContact CD1-CD2 3.69Å; Y104-F398 HydrophobicContact CD1-CD2 3.69Å; Y104-F398 AromaticContact CD1-CE1 3.4Å; Y104-F398 HydrophobicContact CD1-CE1 3.4Å; Y104-F398 AromaticContact CD1-CE2 3.64Å; Y104-F398 HydrophobicContact CD1-CE2 3.64Å; Y104-F398 AromaticContact CD1-CG 3.58Å; Y104-F398 HydrophobicContact CD1-CG 3.58Å; Y104-F398 AromaticContact CD1-CZ 3.49Å; Y104-F398 HydrophobicContact CD1-CZ 3.49Å; Y104-F398 VanDerWaalsContact CD1-CZ 3.49Å; Y104-F398 HydrophobicContact CD2-CB 3.96Å; Y104-F398 AromaticContact CD2-CD1 3.87Å; Y104-F398 HydrophobicContact CD2-CD1 3.87Å; Y104-F398 AromaticContact CD2-CG 3.96Å; Y104-F398 HydrophobicContact CD2-CG 3.96Å; Y104-F398 HydrophobicContact CE1-CB 3.92Å; Y104-F398 AromaticContact CE1-CD1 3.71Å; Y104-F398 HydrophobicContact CE1-CD1 3.71Å; Y104-F398 AromaticContact CE1-CD2 3.1Å; Y104-F398 HydrophobicContact CE1-CD2 3.1Å; Y104-F398 AromaticContact CE1-CE1 3.91Å; Y104-F398 HydrophobicContact CE1-CE1 3.91Å; Y104-F398 AromaticContact CE1-CE2 3.33Å; Y104-F398 HydrophobicContact CE1-CE2 3.33Å; Y104-F398 AromaticContact CE1-CG 3.29Å; Y104-F398 HydrophobicContact CE1-CG 3.29Å; Y104-F398 AromaticContact CE1-CZ 3.73Å; Y104-F398 HydrophobicContact CE1-CZ 3.73Å; Y104-F398 HydrophobicContact CE2-CB 3.4Å; Y104-F398 VanDerWaalsContact CE2-CB 3.4Å; Y104-F398 HydrophobicContact CE2-CD1 4.1Å; Y104-F398 HydrophobicContact CE2-CD2 4.25Å; Y104-F398 AromaticContact CE2-CG 3.69Å; Y104-F398 HydrophobicContact CE2-CG 3.69Å; Y104-F398 HydrophobicContact CG-CB 4.39Å; Y104-F398 AromaticContact CG-CD1 3.5Å; Y104-F398 HydrophobicContact CG-CD1 3.5Å; Y104-F398 HydrophobicContact CG-CD2 4.44Å; Y104-F398 AromaticContact CG-CE1 3.74Å; Y104-F398 HydrophobicContact CG-CE1 3.74Å; Y104-F398 AromaticContact CG-CG 3.88Å; Y104-F398 HydrophobicContact CG-CG 3.88Å; Y104-F398 HydrophobicContact CG-CZ 4.3Å; Y104-F398 AromaticContact CZ-CD1 4Å; Y104-F398 AromaticContact CZ-CD2 3.4Å; Y104-F398 VanDerWaalsContact CZ-CD2 3.4Å; Y104-F398 AromaticContact CZ-CG 3.31Å; Y104-F398 WeakPolarHBondContact OH-CB 3.33Å; V107-F398 HydrophobicContact CB-CD1 4.19Å; V107-F398 HydrophobicContact CB-CE1 4.42Å; V107-F398 HydrophobicContact CG1-CD1 4.25Å; V107-F398 HydrophobicContact CG1-CE1 4.39Å; I108-F398 HydrophobicContact CD1-CE1 3.89Å; I108-F398 HydrophobicContact CD1-CZ 4Å; I108-F398 HydrophobicContact CG1-CE1 3.96Å; I108-F398 HydrophobicContact CG1-CZ 4.34Å; V396-F398 HydrophobicContact CG1-CE2 4.43Å; V396-F398 HydrophobicContact CG1-CZ 4.17Å; F398-D400 PolarHBondContact O-N 3.26Å; F398-D400 VanDerWaalsContact O-N 3.1Å; F398-G401 PolarHBondContact O-N 3.15Å; F398-R402 WeakPolarHBondContact CD2-O 3.47Å; F398-R402 PolarHBondContact N-O 2.94Å; F398-L404 HydrophobicContact CE2-CD1 3.67Å; F398-L404 HydrophobicContact CE2-CG 3.94Å; F398-L404 HydrophobicContact CZ-CD1 3.79Å
399	P	95.8	Very high	96.5	Very high	93 Å²	93	46.1 Å²	46.1	60%	0.604	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23	-175.4	-28.9	39.6	0	0	0	115.3	D103 V107 G401	D103-P399 HydrophobicContact CB-CG 4.18Å; V107-P399 HydrophobicContact CG2-CG 4.41Å; P399-G401 VanDerWaalsContact C-N 3.26Å; P399-G401 PolarHBondContact O-N 3.31Å
400	D	95.4	Very high	96.6	Very high	82 Å²	82	46 Å²	46	44%	0.439	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	9.9	175.6	66.9	-6.8	0	0	0	113.8	Y104 F398 R402	Y104-D400 PolarHBondContact OH-OD1 3.24Å; Y104-D400 PolarHBondContact OH-OD2 3.46Å; F398-D400 PolarHBondContact O-N 3.26Å; F398-D400 VanDerWaalsContact O-N 3.1Å; D400-R402 VanDerWaalsContact C-N 3.31Å; D400-R402 PolarHBondContact O-N 2.97Å; D400-R402 PolarHBondContact OD1-N 3.22Å; D400-R402 IonicContact OD1-NE 3.52Å; D400-R402 IonicContact OD2-CZ 2.84Å; D400-R402 IonicContact OD2-NE 3.4Å; D400-R402 PolarHBondContact OD2-NE 2.98Å; D400-R402 IonicContact OD2-NH2 2.62Å; D400-R402 PolarHBondContact OD2-NH2 2.97Å
401	G	96	Very high	96.6	Very high	48 Å²	48	46.5 Å²	46.5	50%	0.495	28%	0.278	S	S	.	.	S	Bend	trans	83.9	-6.2	176	0	0	0	0	0	115.3	F398 P399	F398-G401 PolarHBondContact O-N 3.15Å; P399-G401 VanDerWaalsContact C-N 3.26Å; P399-G401 PolarHBondContact O-N 3.31Å
402	R	96.3	Very high	96.7	Very high	55 Å²	55	42.2 Å²	42.2	21%	0.208	26%	0.259	C	S	.	.			trans	-74.3	148.5	175.9	-63.5	-175.9	-78.8	176.5	-0.7	111.3	Q50 F51 Y104 T397 F398 D400	Q50-R402 HydrophobicContact CB-CB 4.34Å; Q50-R402 HydrophobicContact CB-CG 4.01Å; Q50-R402 WeakPolarHBondContact O-CD 3.42Å; Q50-R402 VanDerWaalsContact OE1-CA 3.25Å; F51-R402 HydrophobicContact CE1-CB 4.11Å; F51-R402 HydrophobicContact CE2-CB 4.43Å; F51-R402 HydrophobicContact CZ-CB 3.74Å; Y104-R402 VanDerWaalsContact OH-CZ 3.29Å; Y104-R402 PolarHBondContact OH-NE 3.05Å; Y104-R402 PolarHBondContact OH-NH2 2.84Å; T397-R402 WeakPolarHBondContact CA-O 3.44Å; F398-R402 WeakPolarHBondContact CD2-O 3.47Å; F398-R402 PolarHBondContact N-O 2.94Å; D400-R402 VanDerWaalsContact C-N 3.31Å; D400-R402 PolarHBondContact O-N 2.97Å; D400-R402 PolarHBondContact OD1-N 3.22Å; D400-R402 IonicContact OD1-NE 3.52Å; D400-R402 IonicContact OD2-CZ 2.84Å; D400-R402 IonicContact OD2-NE 3.4Å; D400-R402 PolarHBondContact OD2-NE 2.98Å; D400-R402 IonicContact OD2-NH2 2.62Å; D400-R402 PolarHBondContact OD2-NH2 2.97Å
403	S	96.8	Very high	96.7	Very high	43 Å²	43	42.1 Å²	42.1	30%	0.301	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.4	-175.9	-57.4	0	0	0	0	113.3	F51 V396 T397	F51-S403 WeakPolarHBondContact CE2-O 3.31Å; V396-S403 CarbonylContact O-C 3.51Å; V396-S403 WeakPolarHBondContact O-CA 3.17Å; V396-S403 WeakPolarHBondContact O-CB 3.48Å; T397-S403 WeakPolarHBondContact CG2-OG 2.85Å; T397-S403 PolarHBondContact OG1-OG 3.35Å
404	L	97.5	Very high	96.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.1	170.9	-64.7	167.3	0	0	0	110.3	L48 F51 I97 L392 P395 V396 F398 I408 V410	L48-L404 HydrophobicContact CD2-CD2 3.43Å; L48-L404 VanDerWaalsContact CD2-CD2 3.43Å; F51-L404 HydrophobicContact CD2-CD2 3.77Å; F51-L404 HydrophobicContact CE2-CD2 3.29Å; F51-L404 HydrophobicContact CE2-CG 3.79Å; F51-L404 HydrophobicContact CZ-CD2 4Å; F51-L404 HydrophobicContact CZ-CG 4.06Å; I97-L404 HydrophobicContact CD1-CD1 4.06Å; I97-L404 HydrophobicContact CD1-CD2 3.96Å; I97-L404 HydrophobicContact CD1-CG 4.46Å; I97-L404 HydrophobicContact CG2-CD1 3.83Å; I97-L404 HydrophobicContact CG2-CD2 4.45Å; L392-L404 HydrophobicContact CD1-CB 3.62Å; L392-L404 HydrophobicContact CD1-CD1 3.92Å; L392-L404 HydrophobicContact CD1-CG 4.46Å; P395-L404 WeakPolarHBondContact CA-O 3.04Å; V396-L404 HydrophobicContact CG1-CB 3.91Å; V396-L404 HydrophobicContact CG1-CD1 4.24Å; V396-L404 PolarHBondContact N-O 2.65Å; V396-L404 PolarHBondContact O-N 3.49Å; F398-L404 HydrophobicContact CE2-CD1 3.67Å; F398-L404 HydrophobicContact CE2-CG 3.94Å; F398-L404 HydrophobicContact CZ-CD1 3.79Å; L404-I408 HydrophobicContact CD2-CG2 4.35Å; L404-V410 HydrophobicContact CD1-CG2 3.89Å
405	P	97	Very high	96.8	Very high	38 Å²	38	37.2 Å²	37.2	25%	0.247	23%	0.225	C	C	.	.			trans	-74.3	164.4	173.5	29.7	-32.8	0	0	0	112.1	W43 A47 I408	W43-P405 HydrophobicContact CZ2-CG 4.41Å; A47-P405 HydrophobicContact CB-CG 4.16Å; P405-I408 HydrophobicContact CG-CD1 4.27Å; P405-I408 HydrophobicContact CG-CG1 3.74Å; P405-I408 WeakPolarHBondContact O-CG1 3.24Å
406	K	96.9	Very high	96.8	Very high	138 Å²	138	33.1 Å²	33.1	60%	0.6	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	145.6	168.5	174.4	177.7	-178.6	174.2	0	111	S393 I408	S393-K406 WeakPolarHBondContact O-CD 3.34Å; S393-K406 WeakPolarHBondContact O-CE 3.18Å; S393-K406 WeakPolarHBondContact O-CG 3.22Å; K406-I408 VanDerWaalsContact C-N 3.3Å; K406-I408 PolarHBondContact O-N 3.02Å
407	G	95.1	Very high	96.8	Very high	32 Å²	32	32.8 Å²	32.8	33%	0.33	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	-12.7	172.2	0	0	0	0	0	114.8	L392	L392-G407 PolarHBondContact O-N 3.14Å
408	I	96	Very high	96.8	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.041	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-65.2	141	171.1	-58.9	-59.7	0	0	0	109.8	W43 L44 L48 I97 L392 L404 P405 K406	W43-I408 HydrophobicContact CH2-CD1 4.21Å; W43-I408 HydrophobicContact CZ3-CD1 4.45Å; L44-I408 HydrophobicContact CD2-CD1 3.91Å; L48-I408 HydrophobicContact CD1-CD1 4.36Å; L48-I408 HydrophobicContact CD2-CD1 4.15Å; L48-I408 HydrophobicContact CD2-CG1 4.2Å; L48-I408 HydrophobicContact CD2-CG2 4.47Å; I97-I408 HydrophobicContact CG2-CG2 4.1Å; L392-I408 HydrophobicContact CD1-CB 4.29Å; L392-I408 PolarHBondContact N-O 2.89Å; L404-I408 HydrophobicContact CD2-CG2 4.35Å; P405-I408 HydrophobicContact CG-CD1 4.27Å; P405-I408 HydrophobicContact CG-CG1 3.74Å; P405-I408 WeakPolarHBondContact O-CG1 3.24Å; K406-I408 VanDerWaalsContact C-N 3.3Å; K406-I408 PolarHBondContact O-N 3.02Å
409	T	96.4	Very high	96.8	Very high	14 Å²	14	28.5 Å²	28.5	9%	0.086	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.8	174	-61.2	0	0	0	0	109.8	F96 I97 A116 R390 L411	F96-T409 WeakPolarHBondContact CA-O 3.31Å; F96-T409 HydrophobicContact CD1-CG2 3.51Å; F96-T409 HydrophobicContact CE1-CG2 3.56Å; I97-T409 PolarHBondContact N-O 3.14Å; I97-T409 VanDerWaalsContact N-O 3.16Å; A116-T409 HydrophobicContact CB-CG2 3.59Å; R390-T409 CarbonylContact O-C 2.75Å; R390-T409 VanDerWaalsContact O-CA 3.29Å; R390-T409 WeakPolarHBondContact O-CA 3.33Å; T409-L411 HydrophobicContact CG2-CD2 4.45Å
410	V	97.4	Very high	96.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.7	176.1	-178.2	0	0	0	0	108.7	I97 V99 I108 G389 R390 L392 L404 L412	I97-V410 HydrophobicContact CG2-CB 3.97Å; I97-V410 HydrophobicContact CG2-CG1 4.08Å; I97-V410 HydrophobicContact CG2-CG2 3.6Å; V99-V410 HydrophobicContact CB-CG1 4.29Å; V99-V410 HydrophobicContact CG2-CG1 3.5Å; V99-V410 VanDerWaalsContact CG2-CG1 3.5Å; I108-V410 HydrophobicContact CD1-CG2 4.37Å; I108-V410 HydrophobicContact CG1-CG1 4.31Å; G389-V410 CarbonylContact C-O 3.48Å; G389-V410 WeakPolarHBondContact CA-O 3.35Å; R390-V410 PolarHBondContact N-O 3.4Å; R390-V410 PolarHBondContact O-N 3.43Å; L392-V410 HydrophobicContact CD1-CG2 3.96Å; L392-V410 HydrophobicContact CD2-CG2 3.92Å; L392-V410 HydrophobicContact CG-CG2 3.86Å; L404-V410 HydrophobicContact CD1-CG2 3.89Å; V410-L412 HydrophobicContact CG1-CD2 3.97Å
411	L	96.7	Very high	96.8	Very high	21 Å²	21	23.1 Å²	23.1	11%	0.11	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109.5	170	-61.4	-178.2	0	0	0	108.4	F96 I97 K98 V99 V388 T409 H413	F96-L411 HydrophobicContact CB-CD1 3.67Å; F96-L411 HydrophobicContact CB-CG 3.9Å; F96-L411 HydrophobicContact CD1-CD1 4.45Å; F96-L411 HydrophobicContact CD1-CG 4.36Å; F96-L411 HydrophobicContact CD2-CD1 3.86Å; F96-L411 HydrophobicContact CG-CD1 3.74Å; F96-L411 HydrophobicContact CG-CG 4.06Å; I97-L411 PolarHBondContact O-N 3.42Å; K98-L411 WeakPolarHBondContact CA-O 3.47Å; K98-L411 HydrophobicContact CG-CB 4.41Å; K98-L411 HydrophobicContact CG-CD1 4.42Å; V99-L411 PolarHBondContact N-O 3.35Å; V388-L411 CarbonylContact O-C 3.5Å; V388-L411 WeakPolarHBondContact O-CA 3.46Å; T409-L411 HydrophobicContact CG2-CD2 4.45Å; L411-H413 PolarHBondContact O-N 2.97Å
412	L	97.6	Very high	96.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	102.8	170	-55.5	-179.2	0	0	0	107.2	V99 M105 I108 L109 S387 V388 V410 F414	V99-L412 HydrophobicContact CB-CD2 4.14Å; V99-L412 HydrophobicContact CG1-CD2 4.22Å; M105-L412 HydrophobicContact CE-CB 4.22Å; M105-L412 HydrophobicContact SD-CB 3.71Å; M105-L412 HydrophobicContact SD-CD1 4.48Å; M105-L412 HydrophobicContact SD-CD2 3.67Å; M105-L412 HydrophobicContact SD-CG 4.14Å; I108-L412 HydrophobicContact CB-CD2 3.87Å; I108-L412 HydrophobicContact CG1-CD2 4.26Å; I108-L412 HydrophobicContact CG2-CD1 4.13Å; I108-L412 HydrophobicContact CG2-CD2 3.8Å; I108-L412 HydrophobicContact CG2-CG 4.3Å; L109-L412 HydrophobicContact CD1-CD1 4.32Å; L109-L412 HydrophobicContact CD2-CD1 3.35Å; L109-L412 HydrophobicContact CG-CD1 3.67Å; S387-L412 WeakPolarHBondContact CA-O 3.26Å; V388-L412 HydrophobicContact CG2-CB 3.86Å; V388-L412 HydrophobicContact CG2-CD1 4.04Å; V388-L412 HydrophobicContact CG2-CG 4.32Å; V388-L412 PolarHBondContact N-O 3.43Å; V388-L412 PolarHBondContact O-N 3.03Å; V410-L412 HydrophobicContact CG1-CD2 3.97Å; L412-F414 HydrophobicContact CB-CE1 3.95Å; L412-F414 HydrophobicContact CB-CZ 4.19Å; L412-F414 PolarHBondContact O-N 2.87Å
413	H	97	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.			trans	-95.9	80.6	-170.8	-156	-79	0	0	0	111.1	I75 V99 P386 L411 Y415 A416 L417	I75-H413 WeakPolarHBondContact CD1-NE2 3.21Å; V99-H413 PolarHBondContact O-N 2.91Å; P386-H413 CarbonylContact O-C 3.57Å; L411-H413 PolarHBondContact O-N 2.97Å; H413-Y415 VanDerWaalsContact C-N 3.3Å; H413-Y415 PolarHBondContact O-N 3.45Å; H413-A416 HydrophobicContact CB-CB 4.11Å; H413-A416 WeakPolarHBondContact ND1-CB 3.45Å; H413-A416 PolarHBondContact ND1-N 3.45Å; H413-A416 PolarHBondContact O-N 3.39Å; H413-L417 PolarHBondContact O-N 3.1Å
414	F	97.8	Very high	96.7	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.013	14%	0.139	C	C	.	.	H	α-helix	trans	-55.7	-41.3	-177.2	-54.6	-43.8	0	0	0	113.1	M105 I385 P386 V388 L412 A416 L417 H418 L447	M105-F414 HydrophobicContact CE-CD1 4.33Å; M105-F414 HydrophobicContact SD-CD1 4.42Å; M105-F414 HydrophobicContact SD-CE1 4.2Å; I385-F414 WeakPolarHBondContact O-CD2 3.37Å; P386-F414 PolarHBondContact O-N 3.18Å; V388-F414 HydrophobicContact CB-CE2 4.32Å; V388-F414 HydrophobicContact CG1-CE2 3.85Å; V388-F414 HydrophobicContact CG2-CE2 3.63Å; V388-F414 HydrophobicContact CG2-CZ 3.51Å; L412-F414 HydrophobicContact CB-CE1 3.95Å; L412-F414 HydrophobicContact CB-CZ 4.19Å; L412-F414 PolarHBondContact O-N 2.87Å; F414-A416 VanDerWaalsContact C-N 3.27Å; F414-A416 PolarHBondContact O-N 2.93Å; F414-L417 PolarHBondContact O-N 3.29Å; F414-H418 VanDerWaalsContact O-CB 3.31Å; F414-H418 WeakPolarHBondContact O-CB 3.44Å; F414-H418 PolarHBondContact O-CD2 3.27Å; F414-H418 PolarHBondContact O-N 2.84Å; F414-L447 HydrophobicContact CD1-CB 3.84Å; F414-L447 HydrophobicContact CD1-CD1 4.31Å; F414-L447 HydrophobicContact CE1-CB 3.92Å; F414-L447 HydrophobicContact CE1-CD1 4.04Å
415	Y	97.5	Very high	96.5	Very high	16 Å²	16	30.3 Å²	30.3	6%	0.063	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-39.1	175.6	-172.2	-82.1	0	0	0	112.1	L72 L76 L381 P383 P386 H413 H419 L495	L72-Y415 HydrophobicContact CB-CE1 4.19Å; L72-Y415 HydrophobicContact CD1-CD2 4.38Å; L72-Y415 HydrophobicContact CD1-CE2 4.22Å; L72-Y415 HydrophobicContact CD2-CD1 4.06Å; L72-Y415 HydrophobicContact CD2-CG 4.13Å; L76-Y415 HydrophobicContact CD1-CE1 3.87Å; L76-Y415 HydrophobicContact CD2-CD1 4.18Å; L76-Y415 HydrophobicContact CD2-CE1 3.96Å; L76-Y415 HydrophobicContact CG-CE1 3.99Å; L381-Y415 WeakPolarHBondContact O-CE2 3.4Å; P383-Y415 HydrophobicContact CG-CD2 3.97Å; P383-Y415 HydrophobicContact CG-CG 4.44Å; P386-Y415 PolarHBondContact O-N 3.34Å; H413-Y415 VanDerWaalsContact C-N 3.3Å; H413-Y415 PolarHBondContact O-N 3.45Å; Y415-H419 AromaticContact CD1-ND1 3.95Å; Y415-H419 AromaticContact CE1-CE1 3.78Å; Y415-H419 AromaticContact CE1-ND1 3.86Å; Y415-H419 AromaticContact CE2-CE1 3.75Å; Y415-H419 AromaticContact CZ-CE1 3.54Å; Y415-H419 AromaticContact CZ-NE2 3.99Å; Y415-H419 PolarHBondContact O-N 3.49Å; Y415-H419 PolarHBondContact O-ND1 3.01Å; Y415-L495 HydrophobicContact CD2-CD2 4.39Å; Y415-L495 HydrophobicContact CE2-CD1 4.49Å; Y415-L495 HydrophobicContact CE2-CD2 4.29Å
416	A	97.2	Very high	96.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-78.1	-41.3	179.4	0	0	0	0	0	111.2	I75 L79 C100 H413 F414 H418 H419 N420	I75-A416 HydrophobicContact CG2-CB 3.76Å; L79-A416 HydrophobicContact CD1-CB 4.24Å; L79-A416 HydrophobicContact CD2-CB 4.14Å; L79-A416 WeakPolarHBondContact CD2-O 3.43Å; C100-A416 HydrophobicContact CB-CB 4.15Å; C100-A416 WeakPolarHBondContact SG-CB 3.49Å; H413-A416 HydrophobicContact CB-CB 4.11Å; H413-A416 WeakPolarHBondContact ND1-CB 3.45Å; H413-A416 PolarHBondContact ND1-N 3.45Å; H413-A416 PolarHBondContact O-N 3.39Å; F414-A416 VanDerWaalsContact C-N 3.27Å; F414-A416 PolarHBondContact O-N 2.93Å; A416-H418 PolarHBondContact O-N 3.08Å; A416-H419 CarbonylContact O-C 3.53Å; A416-H419 PolarHBondContact O-N 3.28Å; A416-H419 VanDerWaalsContact O-N 3.15Å; A416-N420 PolarHBondContact O-N 3.34Å
417	L	98	Very high	96.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-52.6	-42.8	171.4	173.5	74.2	0	0	0	111.6	C100 P102 M105 H413 F414 H419 N420 W424 H444 A445 L447	C100-L417 VanDerWaalsContact O-CD1 3.28Å; C100-L417 WeakPolarHBondContact O-CD1 3.46Å; P102-L417 HydrophobicContact CB-CD1 4.47Å; P102-L417 HydrophobicContact CG-CD1 3.83Å; M105-L417 HydrophobicContact CE-CB 3.89Å; M105-L417 HydrophobicContact CE-CD1 4.44Å; M105-L417 HydrophobicContact CE-CD2 3.93Å; M105-L417 HydrophobicContact CE-CG 4.31Å; M105-L417 HydrophobicContact CG-CD1 4.3Å; M105-L417 HydrophobicContact CG-CD2 4.11Å; M105-L417 HydrophobicContact SD-CD2 4.46Å; H413-L417 PolarHBondContact O-N 3.1Å; F414-L417 PolarHBondContact O-N 3.29Å; L417-H419 VanDerWaalsContact C-N 3.32Å; L417-H419 PolarHBondContact O-N 3.22Å; L417-N420 WeakPolarHBondContact O-CB 3.42Å; L417-N420 PolarHBondContact O-N 3.48Å; L417-W424 VanDerWaalsContact O-CD1 3.23Å; L417-W424 PolarHBondContact O-NE1 3.46Å; L417-H444 WeakPolarHBondContact CD2-O 3.31Å; L417-A445 WeakPolarHBondContact CD2-O 3.25Å; L417-L447 HydrophobicContact CD2-CB 4.43Å; L417-L447 HydrophobicContact CD2-CD1 3.85Å; L417-L447 HydrophobicContact CD2-CG 4.31Å
418	H	98	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-76	-18.1	-177	-66.3	173.1	0	0	0	114	R380 F414 A416 A445 L447	R380-H418 HydrophobicContact CG-CB 3.71Å; R380-H418 PolarHBondContact NH1-O 2.71Å; R380-H418 WeakPolarHBondContact O-CB 3.25Å; R380-H418 PolarHBondContact O-ND1 2.73Å; F414-H418 VanDerWaalsContact O-CB 3.31Å; F414-H418 WeakPolarHBondContact O-CB 3.44Å; F414-H418 PolarHBondContact O-CD2 3.27Å; F414-H418 PolarHBondContact O-N 2.84Å; A416-H418 PolarHBondContact O-N 3.08Å; H418-A445 PolarHBondContact CD2-O 2.98Å; H418-L447 PolarHBondContact NE2-N 3.2Å
419	H	97.4	Very high	96.6	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.028	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	10.7	172.4	-63.7	76.9	0	0	0	112.6	L76 L79 L381 Y415 A416 L417 P421 P427 E428	L76-H419 HydrophobicContact CD2-CB 3.59Å; L79-H419 HydrophobicContact CD2-CB 4.44Å; L381-H419 PolarHBondContact O-CE1 3.4Å; Y415-H419 AromaticContact CD1-ND1 3.95Å; Y415-H419 AromaticContact CE1-CE1 3.78Å; Y415-H419 AromaticContact CE1-ND1 3.86Å; Y415-H419 AromaticContact CE2-CE1 3.75Å; Y415-H419 AromaticContact CZ-CE1 3.54Å; Y415-H419 AromaticContact CZ-NE2 3.99Å; Y415-H419 PolarHBondContact O-N 3.49Å; Y415-H419 PolarHBondContact O-ND1 3.01Å; A416-H419 CarbonylContact O-C 3.53Å; A416-H419 PolarHBondContact O-N 3.28Å; A416-H419 VanDerWaalsContact O-N 3.15Å; L417-H419 VanDerWaalsContact C-N 3.32Å; L417-H419 PolarHBondContact O-N 3.22Å; H419-P421 VanDerWaalsContact O-CD 3.25Å; H419-P421 WeakPolarHBondContact O-CD 3.44Å; H419-P427 HydrophobicContact CB-CB 4.36Å; H419-P427 VanDerWaalsContact O-CB 3.31Å; H419-P427 WeakPolarHBondContact O-CB 3.33Å; H419-P427 WeakPolarHBondContact O-CG 3.23Å; H419-E428 IonicContact CD2-OE1 3.42Å; H419-E428 PolarHBondContact CD2-OE1 3.47Å; H419-E428 IonicContact CD2-OE2 3.16Å
420	N	96.9	Very high	96.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.191	C	C	.	.			trans	-72.7	114.5	-176.8	-171.5	-17.8	0	0	0	110.4	L79 P83 C100 A416 L417 K422 V423 W424	L79-N420 HydrophobicContact CD1-CB 4.26Å; L79-N420 HydrophobicContact CD2-CB 4.24Å; P83-N420 PolarHBondContact O-ND2 2.94Å; C100-N420 PolarHBondContact O-ND2 3.23Å; A416-N420 PolarHBondContact O-N 3.34Å; L417-N420 WeakPolarHBondContact O-CB 3.42Å; L417-N420 PolarHBondContact O-N 3.48Å; N420-K422 PolarHBondContact O-N 2.8Å; N420-K422 VanDerWaalsContact O-N 3.12Å; N420-K422 PolarHBondContact OD1-N 3.48Å; N420-K422 VanDerWaalsContact OD1-N 3.12Å; N420-V423 HydrophobicContact CB-CB 4.21Å; N420-V423 HydrophobicContact CB-CG2 3.97Å; N420-V423 PolarHBondContact O-N 2.95Å; N420-W424 PolarHBondContact O-N 3.03Å
421	P	94.5	Very high	96.7	Very high	61 Å²	61	38.4 Å²	38.4	40%	0.396	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.2	-176.3	26.6	-34.9	0	0	0	113.4	H419 V423 P427	H419-P421 VanDerWaalsContact O-CD 3.25Å; H419-P421 WeakPolarHBondContact O-CD 3.44Å; P421-V423 VanDerWaalsContact C-N 3.32Å; P421-P427 HydrophobicContact CB-CG 4.22Å
422	K	93.8	Very high	96.8	Very high	168 Å²	168	37.5 Å²	37.5	73%	0.73	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.7	171.5	-70.9	-164.5	171.5	176	0	113.5	P83 N420	P83-K422 HydrophobicContact CB-CD 3.75Å; P83-K422 HydrophobicContact CB-CG 4.02Å; P83-K422 HydrophobicContact CG-CD 3.55Å; P83-K422 HydrophobicContact CG-CG 4.21Å; N420-K422 PolarHBondContact O-N 2.8Å; N420-K422 VanDerWaalsContact O-N 3.12Å; N420-K422 PolarHBondContact OD1-N 3.48Å; N420-K422 VanDerWaalsContact OD1-N 3.12Å
423	V	95.7	Very high	96.7	Very high	37 Å²	37	40.9 Å²	40.9	22%	0.224	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-36.8	-177.4	-175.3	0	0	0	0	110.5	P102 N420 P421 A445	P102-V423 HydrophobicContact CG-CB 4.48Å; P102-V423 HydrophobicContact CG-CG1 3.97Å; P102-V423 HydrophobicContact CG-CG2 3.59Å; N420-V423 HydrophobicContact CB-CB 4.21Å; N420-V423 HydrophobicContact CB-CG2 3.97Å; N420-V423 PolarHBondContact O-N 2.95Å; P421-V423 VanDerWaalsContact C-N 3.32Å; V423-A445 HydrophobicContact CG1-CB 3.55Å
424	W	96.3	Very high	96.7	Very high	8 Å²	8	42.4 Å²	42.4	3%	0.03	23%	0.229	C	C	.	.	S	Bend	trans	-126.1	100.1	-174.6	-56.1	99.8	0	0	0	109.6	R380 L417 N420 N426 P427 R434 F435 A445 F446	R380-W424 HydrophobicContact CG-CZ2 4.33Å; L417-W424 VanDerWaalsContact O-CD1 3.23Å; L417-W424 PolarHBondContact O-NE1 3.46Å; N420-W424 PolarHBondContact O-N 3.03Å; W424-N426 PolarHBondContact O-N 3.2Å; W424-P427 HydrophobicContact CB-CB 4.22Å; W424-P427 VanDerWaalsContact O-CD 3.3Å; W424-P427 WeakPolarHBondContact O-CD 3.33Å; W424-R434 HydrophobicContact CZ3-CB 4.41Å; W424-F435 HydrophobicContact CH2-CE1 4.25Å; W424-F435 HydrophobicContact CH2-CZ 4.02Å; W424-F435 HydrophobicContact CZ3-CZ 4.35Å; W424-A445 HydrophobicContact CH2-CB 4.49Å; W424-A445 HydrophobicContact CZ2-CB 3.85Å; W424-F446 HydrophobicContact CH2-CB 4.14Å; W424-F446 HydrophobicContact CZ2-CB 4.07Å
425	P	93.9	Very high	96.7	Very high	86 Å²	86	43.1 Å²	43.1	56%	0.558	23%	0.232	S	C	*	.	S	Bend	trans	-58.3	131.4	174.2	-23.9	33.8	0	0	0	110.6	R434	P425-R434 VanDerWaalsContact O-CZ 3.26Å; P425-R434 PolarHBondContact O-NH1 3.21Å; P425-R434 PolarHBondContact O-NH2 3.04Å
426	N	95.7	Very high	96.6	Very high	122 Å²	122	44.1 Å²	44.1	65%	0.652	24%	0.244	S	C	*	.	S	Bend	trans	52.1	63.9	-172.8	-55.3	-42.8	0	0	0	112	W424 E428 V429 R434	W424-N426 PolarHBondContact O-N 3.2Å; N426-E428 PolarHBondContact O-N 3.5Å; N426-E428 VanDerWaalsContact O-N 3.13Å; N426-V429 HydrophobicContact CB-CB 4.28Å; N426-V429 HydrophobicContact CB-CG2 3.88Å; N426-V429 PolarHBondContact O-N 2.83Å; N426-R434 PolarHBondContact O-NH2 3.19Å
427	P	96.7	Very high	96.2	Very high	19 Å²	19	52.8 Å²	52.8	12%	0.123	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.3	-166.2	23.8	-32.8	0	0	0	114.1	R380 L381 H419 P421 W424	R380-P427 VanDerWaalsContact CZ-O 3.25Å; R380-P427 PolarHBondContact NH1-O 3.35Å; R380-P427 PolarHBondContact NH2-O 2.89Å; L381-P427 VanDerWaalsContact CD2-O 3.3Å; L381-P427 WeakPolarHBondContact CD2-O 3.49Å; H419-P427 HydrophobicContact CB-CB 4.36Å; H419-P427 VanDerWaalsContact O-CB 3.31Å; H419-P427 WeakPolarHBondContact O-CB 3.33Å; H419-P427 WeakPolarHBondContact O-CG 3.23Å; P421-P427 HydrophobicContact CB-CG 4.22Å; W424-P427 HydrophobicContact CB-CB 4.22Å; W424-P427 VanDerWaalsContact O-CD 3.3Å; W424-P427 WeakPolarHBondContact O-CD 3.33Å
428	E	95.7	Very high	95.8	Very high	120 Å²	120	59.6 Å²	59.6	56%	0.561	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.8	179.4	-56	-59.6	150.7	0	0	113.1	H419 N426	H419-E428 IonicContact CD2-OE1 3.42Å; H419-E428 PolarHBondContact CD2-OE1 3.47Å; H419-E428 IonicContact CD2-OE2 3.16Å; N426-E428 PolarHBondContact O-N 3.5Å; N426-E428 VanDerWaalsContact O-N 3.13Å
429	V	98	Very high	95.3	Very high	81 Å²	81	61.8 Å²	61.8	49%	0.491	34%	0.338	S	S	.	.	S	Bend	trans	-80.2	123.9	179.7	176.8	0	0	0	0	109.6	E377 R380 N426 D431 R434	E377-V429 VanDerWaalsContact OE1-O 3.08Å; R380-V429 PolarHBondContact NH2-O 3.25Å; N426-V429 HydrophobicContact CB-CB 4.28Å; N426-V429 HydrophobicContact CB-CG2 3.88Å; N426-V429 PolarHBondContact O-N 2.83Å; V429-D431 HydrophobicContact CG1-CB 4.47Å; V429-D431 PolarHBondContact O-N 3.42Å; V429-R434 PolarHBondContact O-NH2 3.37Å
430	F	98.5	Very high	94.8	Very high	8 Å²	8	68.6 Å²	68.6	4%	0.035	38%	0.38	C	S	.	.			trans	-71.7	105.7	170.1	-172.4	-87.2	0	0	0	109.5	A335 H339 H342 C374 E377 A378 L381 P432	A335-F430 HydrophobicContact CB-CD2 4.14Å; A335-F430 HydrophobicContact CB-CE2 3.68Å; A335-F430 HydrophobicContact CB-CZ 4.41Å; H339-F430 HydrophobicContact CB-CD1 4.49Å; H339-F430 AromaticContact CE1-CG 3.93Å; H339-F430 VanDerWaalsContact NE2-CB 3.29Å; H339-F430 WeakPolarHBondContact NE2-CB 3.48Å; H342-F430 HydrophobicContact CB-CE1 4.25Å; H342-F430 AromaticContact CD2-CD1 3.4Å; H342-F430 VanDerWaalsContact CD2-CD1 3.4Å; H342-F430 WeakPolarHBondContact CD2-CD1 3.45Å; H342-F430 AromaticContact CD2-CE1 3.56Å; H342-F430 AromaticContact NE2-CD1 3.9Å; C374-F430 HydrophobicContact CB-CZ 4.18Å; E377-F430 HydrophobicContact CB-CD2 4.29Å; E377-F430 HydrophobicContact CB-CE2 3.92Å; E377-F430 HydrophobicContact CB-CZ 4.1Å; E377-F430 HydrophobicContact CG-CB 4.47Å; E377-F430 HydrophobicContact CG-CD1 4.21Å; E377-F430 HydrophobicContact CG-CD2 3.57Å; E377-F430 HydrophobicContact CG-CE1 4.37Å; E377-F430 HydrophobicContact CG-CE2 3.72Å; E377-F430 HydrophobicContact CG-CG 3.82Å; E377-F430 HydrophobicContact CG-CZ 4.14Å; A378-F430 HydrophobicContact CB-CE2 4.06Å; L381-F430 HydrophobicContact CD1-CB 4.11Å; L381-F430 HydrophobicContact CD1-CD2 3.83Å; L381-F430 HydrophobicContact CD1-CG 4.47Å; F430-P432 HydrophobicContact CD1-CG 4.03Å; F430-P432 HydrophobicContact CE1-CG 3.5Å; F430-P432 VanDerWaalsContact CE1-CG 3.5Å; F430-P432 HydrophobicContact CZ-CG 4.29Å
431	D	98	Very high	94.5	Very high	50 Å²	50	71.7 Å²	71.7	27%	0.267	39%	0.394	S	S	.	.			trans	-132.2	98.3	179.4	174.2	13.8	0	0	0	110.6	E377 V429 S433 R434	E377-D431 PolarHBondContact OE1-N 2.86Å; V429-D431 HydrophobicContact CG1-CB 4.47Å; V429-D431 PolarHBondContact O-N 3.42Å; D431-S433 PolarHBondContact O-N 2.89Å; D431-S433 WeakPolarHBondContact OD1-CA 3.29Å; D431-S433 WeakPolarHBondContact OD1-CB 3.45Å; D431-S433 PolarHBondContact OD1-N 3.31Å; D431-S433 PolarHBondContact OD1-OG 3.44Å; D431-S433 PolarHBondContact OD2-OG 3.49Å; D431-S433 VanDerWaalsContact OD2-OG 3.09Å; D431-R434 HydrophobicContact CB-CG 4.15Å; D431-R434 WeakPolarHBondContact O-CB 3.29Å; D431-R434 VanDerWaalsContact O-CG 3.24Å; D431-R434 WeakPolarHBondContact O-CG 3.31Å; D431-R434 PolarHBondContact O-N 3.23Å
432	P	98.2	Very high	94.4	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.013	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-58.8	-26	176.2	-26.5	36.1	0	0	0	113.9	M373 C374 F430 R434 F435	M373-P432 HydrophobicContact CB-CB 3.9Å; M373-P432 WeakPolarHBondContact CB-O 3.47Å; C374-P432 HydrophobicContact CB-CG 4.46Å; C374-P432 WeakPolarHBondContact SG-CG 3.32Å; F430-P432 HydrophobicContact CD1-CG 4.03Å; F430-P432 HydrophobicContact CE1-CG 3.5Å; F430-P432 VanDerWaalsContact CE1-CG 3.5Å; F430-P432 HydrophobicContact CZ-CG 4.29Å; P432-R434 PolarHBondContact O-N 2.87Å; P432-R434 VanDerWaalsContact O-N 3.12Å; P432-F435 PolarHBondContact O-N 2.87Å
433	S	96.5	Very high	94.4	Very high	71 Å²	71	68 Å²	68	50%	0.497	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-64.1	-20.3	-177	80.5	0	0	0	0	112.7	D431 F435 A436	D431-S433 PolarHBondContact O-N 2.89Å; D431-S433 WeakPolarHBondContact OD1-CA 3.29Å; D431-S433 WeakPolarHBondContact OD1-CB 3.45Å; D431-S433 PolarHBondContact OD1-N 3.31Å; D431-S433 PolarHBondContact OD1-OG 3.44Å; D431-S433 PolarHBondContact OD2-OG 3.49Å; D431-S433 VanDerWaalsContact OD2-OG 3.09Å; S433-F435 PolarHBondContact O-N 3.47Å; S433-F435 VanDerWaalsContact O-N 3.08Å; S433-A436 VanDerWaalsContact O-CB 3.26Å; S433-A436 WeakPolarHBondContact O-CB 3.39Å; S433-A436 PolarHBondContact O-N 3.17Å
434	R	96.8	Very high	94.5	Very high	32 Å²	32	67.8 Å²	67.8	12%	0.121	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-52.2	-30.9	170	-64.5	177.8	-165.5	-73.8	3.6	112.3	E377 W424 P425 N426 V429 D431 P432 S439 Q441	E377-R434 IonicContact OE1-NE 3.75Å; E377-R434 PolarHBondContact OE1-NE 3Å; W424-R434 HydrophobicContact CZ3-CB 4.41Å; P425-R434 VanDerWaalsContact O-CZ 3.26Å; P425-R434 PolarHBondContact O-NH1 3.21Å; P425-R434 PolarHBondContact O-NH2 3.04Å; N426-R434 PolarHBondContact O-NH2 3.19Å; V429-R434 PolarHBondContact O-NH2 3.37Å; D431-R434 HydrophobicContact CB-CG 4.15Å; D431-R434 WeakPolarHBondContact O-CB 3.29Å; D431-R434 VanDerWaalsContact O-CG 3.24Å; D431-R434 WeakPolarHBondContact O-CG 3.31Å; D431-R434 PolarHBondContact O-N 3.23Å; P432-R434 PolarHBondContact O-N 2.87Å; P432-R434 VanDerWaalsContact O-N 3.12Å; R434-S439 WeakPolarHBondContact O-CB 3.25Å; R434-S439 PolarHBondContact O-OG 3.33Å; R434-Q441 PolarHBondContact O-NE2 2.94Å
435	F	97.4	Very high	94.6	Very high	18 Å²	18	67.5 Å²	67.5	8%	0.079	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-103.8	16.4	-177.9	-64.6	-75.9	0	0	0	114.2	M373 K376 E377 R380 W424 P432 S433 F446	M373-F435 HydrophobicContact CB-CB 4.29Å; M373-F435 HydrophobicContact CG-CB 3.97Å; K376-F435 HydrophobicContact CB-CB 4.34Å; K376-F435 HydrophobicContact CB-CD1 3.9Å; K376-F435 HydrophobicContact CB-CD2 3.63Å; K376-F435 HydrophobicContact CB-CE1 4.06Å; K376-F435 HydrophobicContact CB-CE2 3.8Å; K376-F435 HydrophobicContact CB-CG 3.67Å; K376-F435 HydrophobicContact CB-CZ 4.01Å; K376-F435 HydrophobicContact CD-CB 3.96Å; K376-F435 HydrophobicContact CD-CD1 3.67Å; K376-F435 HydrophobicContact CD-CE1 4.32Å; K376-F435 HydrophobicContact CD-CG 3.82Å; K376-F435 HydrophobicContact CG-CD1 4.4Å; K376-F435 HydrophobicContact CG-CG 4.44Å; E377-F435 HydrophobicContact CB-CD2 4.22Å; E377-F435 HydrophobicContact CB-CE2 4.08Å; E377-F435 VanDerWaalsContact OE2-CE2 3.3Å; E377-F435 WeakPolarHBondContact OE2-CE2 3.23Å; R380-F435 HydrophobicContact CB-CE2 4.46Å; R380-F435 HydrophobicContact CB-CZ 4.3Å; W424-F435 HydrophobicContact CH2-CE1 4.25Å; W424-F435 HydrophobicContact CH2-CZ 4.02Å; W424-F435 HydrophobicContact CZ3-CZ 4.35Å; P432-F435 PolarHBondContact O-N 2.87Å; S433-F435 PolarHBondContact O-N 3.47Å; S433-F435 VanDerWaalsContact O-N 3.08Å; F435-F446 HydrophobicContact CE1-CB 4.13Å; F435-F446 AromaticContact CE1-CD1 3.77Å; F435-F446 HydrophobicContact CE1-CD1 3.77Å; F435-F446 AromaticContact CE1-CD2 3.84Å; F435-F446 HydrophobicContact CE1-CD2 3.84Å; F435-F446 HydrophobicContact CE1-CE1 4.02Å; F435-F446 HydrophobicContact CE1-CE2 4.1Å; F435-F446 AromaticContact CE1-CG 3.65Å; F435-F446 HydrophobicContact CE1-CG 3.65Å; F435-F446 HydrophobicContact CE1-CZ 4.16Å; F435-F446 HydrophobicContact CZ-CD1 4.33Å; F435-F446 AromaticContact CZ-CD2 3.6Å; F435-F446 HydrophobicContact CZ-CD2 3.6Å; F435-F446 HydrophobicContact CZ-CE1 4.39Å; F435-F446 AromaticContact CZ-CE2 3.68Å; F435-F446 HydrophobicContact CZ-CE2 3.68Å; F435-F446 AromaticContact CZ-CG 3.92Å; F435-F446 HydrophobicContact CZ-CG 3.92Å; F435-F446 HydrophobicContact CZ-CZ 4.06Å
436	A	95.9	Very high	94.8	Very high	37 Å²	37	65.3 Å²	65.3	31%	0.306	36%	0.361	S	S	.	.	S	Bend	trans	-60.5	154.7	172.1	0	0	0	0	0	111.3	M373 S433 N438 S439	M373-A436 VanDerWaalsContact SD-CA 3.53Å; M373-A436 HydrophobicContact SD-CB 4.07Å; M373-A436 PolarHBondContact SD-N 2.89Å; S433-A436 VanDerWaalsContact O-CB 3.26Å; S433-A436 WeakPolarHBondContact O-CB 3.39Å; S433-A436 PolarHBondContact O-N 3.17Å; A436-N438 PolarHBondContact O-N 3.42Å; A436-S439 WeakPolarHBondContact O-CB 3.5Å; A436-S439 PolarHBondContact O-N 3.48Å; A436-S439 PolarHBondContact O-OG 3.33Å
437	M	89	Confident	94.9	Very high	182 Å²	182	60 Å²	60	90%	0.897	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.8	-174.3	-172.8	170.2	66	0	0	114
438	N	88.9	Confident	94.9	Very high	142 Å²	142	59.7 Å²	59.7	76%	0.759	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	7.6	-177.9	-61.3	-18.9	0	0	0	113.6	A436 V440	A436-N438 PolarHBondContact O-N 3.42Å; N438-V440 PolarHBondContact O-N 2.88Å
439	S	88.3	Confident	95	Very high	47 Å²	47	56.3 Å²	56.3	33%	0.329	31%	0.314	S	S	.	.			trans	-68.5	123	178.5	69.6	0	0	0	0	110.6	R434 A436 Q441	R434-S439 WeakPolarHBondContact O-CB 3.25Å; R434-S439 PolarHBondContact O-OG 3.33Å; A436-S439 WeakPolarHBondContact O-CB 3.5Å; A436-S439 PolarHBondContact O-N 3.48Å; A436-S439 PolarHBondContact O-OG 3.33Å; S439-Q441 PolarHBondContact O-N 3.15Å
440	V	87	Confident	94.9	Very high	149 Å²	149	53.6 Å²	53.6	90%	0.903	30%	0.299	S	S	*	.			trans	-85.3	109.9	172.4	-177.4	0	0	0	0	108.4	N438	N438-V440 PolarHBondContact O-N 2.88Å
441	Q	88.8	Confident	94.7	Very high	66 Å²	66	53.7 Å²	53.7	31%	0.308	30%	0.302	S	S	.	.			trans	-124.9	148.8	176.6	-62.1	-175.2	6.6	0	0	110.4	R434 S439 S443	R434-Q441 PolarHBondContact O-NE2 2.94Å; S439-Q441 PolarHBondContact O-N 3.15Å; Q441-S443 PolarHBondContact O-N 3.33Å
442	H	93.5	Very high	94.4	Very high	69 Å²	69	53 Å²	53	32%	0.319	31%	0.306	S	S	.	.			trans	-62.2	135.4	168.8	-174.4	-87.5	0	0	0	110.1	P102 D103 H444 A445	P102-H442 HydrophobicContact CB-CB 4.17Å; P102-H442 WeakPolarHBondContact CB-ND1 3.49Å; P102-H442 PolarHBondContact O-CE1 3.07Å; D103-H442 IonicContact OD1-CE1 2.75Å; D103-H442 IonicContact OD1-NE2 2.88Å; D103-H442 PolarHBondContact OD1-NE2 3.35Å; H442-H444 PolarHBondContact ND1-N 2.64Å; H442-H444 VanDerWaalsContact ND1-N 3.12Å; H442-H444 PolarHBondContact O-N 3.3Å; H442-A445 HydrophobicContact CB-CB 4.19Å; H442-A445 VanDerWaalsContact O-CB 3.3Å; H442-A445 WeakPolarHBondContact O-CB 3.34Å; H442-A445 PolarHBondContact O-N 3.14Å
443	S	94.2	Very high	94	Very high	82 Å²	82	55.6 Å²	55.6	57%	0.573	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-22.8	-176.5	59.8	0	0	0	0	115.9	Q441	Q441-S443 PolarHBondContact O-N 3.33Å
444	H	97.3	Very high	93.8	Very high	32 Å²	32	53.6 Å²	53.6	15%	0.148	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	20.1	-179.1	-69	72.8	0	0	0	112.9	P102 M105 K106 L417 H442 L447	P102-H444 HydrophobicContact CB-CB 4.44Å; P102-H444 WeakPolarHBondContact O-CB 3.37Å; M105-H444 HydrophobicContact CB-CB 4.15Å; K106-H444 HydrophobicContact CB-CB 4.37Å; L417-H444 WeakPolarHBondContact CD2-O 3.31Å; H442-H444 PolarHBondContact ND1-N 2.64Å; H442-H444 VanDerWaalsContact ND1-N 3.12Å; H442-H444 PolarHBondContact O-N 3.3Å; H444-L447 HydrophobicContact CB-CD1 4.17Å; H444-L447 WeakPolarHBondContact O-CD1 3.3Å
445	A	97.5	Very high	93.7	Very high	2 Å²	2	54.1 Å²	54.1	2%	0.017	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-38	174.1	0	0	0	0	0	112.1	L417 H418 V423 W424 H442	L417-A445 WeakPolarHBondContact CD2-O 3.25Å; H418-A445 PolarHBondContact CD2-O 2.98Å; V423-A445 HydrophobicContact CG1-CB 3.55Å; W424-A445 HydrophobicContact CH2-CB 4.49Å; W424-A445 HydrophobicContact CZ2-CB 3.85Å; H442-A445 HydrophobicContact CB-CB 4.19Å; H442-A445 VanDerWaalsContact O-CB 3.3Å; H442-A445 WeakPolarHBondContact O-CB 3.34Å; H442-A445 PolarHBondContact O-N 3.14Å
446	F	98	Very high	93.7	Very high	41 Å²	41	55.6 Å²	55.6	18%	0.18	32%	0.324	C	S	.	.			trans	-114.6	113.3	-179.1	-176.7	-113	0	0	0	110.6	K376 L379 R380 W424 F435 P448	K376-F446 HydrophobicContact CB-CE1 4.22Å; K376-F446 HydrophobicContact CB-CZ 3.88Å; K376-F446 HydrophobicContact CD-CE1 4.42Å; K376-F446 HydrophobicContact CG-CE1 4.03Å; K376-F446 HydrophobicContact CG-CZ 4.11Å; K376-F446 VanDerWaalsContact O-CE2 3.26Å; K376-F446 WeakPolarHBondContact O-CE2 3.39Å; K376-F446 WeakPolarHBondContact O-CZ 3.36Å; L379-F446 HydrophobicContact CB-CE2 4.34Å; L379-F446 HydrophobicContact CB-CZ 4.11Å; R380-F446 HydrophobicContact CB-CD2 4.16Å; R380-F446 HydrophobicContact CB-CE2 3.89Å; R380-F446 HydrophobicContact CG-CD2 4.49Å; W424-F446 HydrophobicContact CH2-CB 4.14Å; W424-F446 HydrophobicContact CZ2-CB 4.07Å; F435-F446 HydrophobicContact CE1-CB 4.13Å; F435-F446 AromaticContact CE1-CD1 3.77Å; F435-F446 HydrophobicContact CE1-CD1 3.77Å; F435-F446 AromaticContact CE1-CD2 3.84Å; F435-F446 HydrophobicContact CE1-CD2 3.84Å; F435-F446 HydrophobicContact CE1-CE1 4.02Å; F435-F446 HydrophobicContact CE1-CE2 4.1Å; F435-F446 AromaticContact CE1-CG 3.65Å; F435-F446 HydrophobicContact CE1-CG 3.65Å; F435-F446 HydrophobicContact CE1-CZ 4.16Å; F435-F446 HydrophobicContact CZ-CD1 4.33Å; F435-F446 AromaticContact CZ-CD2 3.6Å; F435-F446 HydrophobicContact CZ-CD2 3.6Å; F435-F446 HydrophobicContact CZ-CE1 4.39Å; F435-F446 AromaticContact CZ-CE2 3.68Å; F435-F446 HydrophobicContact CZ-CE2 3.68Å; F435-F446 AromaticContact CZ-CG 3.92Å; F435-F446 HydrophobicContact CZ-CG 3.92Å; F435-F446 HydrophobicContact CZ-CZ 4.06Å; F446-P448 HydrophobicContact CD1-CG 4.12Å; F446-P448 HydrophobicContact CD2-CG 4.48Å; F446-P448 HydrophobicContact CE1-CG 3.52Å; F446-P448 HydrophobicContact CE2-CG 3.92Å; F446-P448 HydrophobicContact CZ-CB 4.34Å; F446-P448 HydrophobicContact CZ-CG 3.42Å; F446-P448 VanDerWaalsContact CZ-CG 3.42Å
447	L	97.7	Very high	93.7	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.047	32%	0.317	C	S	.	.			trans	-138.6	42.1	-168.4	-67.3	174.2	0	0	0	113.4	M105 L109 F414 L417 H418 H444 F449 S450	M105-L447 HydrophobicContact CB-CD1 4Å; M105-L447 HydrophobicContact CG-CD1 4.16Å; M105-L447 HydrophobicContact SD-CD1 4.29Å; L109-L447 HydrophobicContact CD1-CD1 3.69Å; L109-L447 HydrophobicContact CD1-CD2 4.34Å; F414-L447 HydrophobicContact CD1-CB 3.84Å; F414-L447 HydrophobicContact CD1-CD1 4.31Å; F414-L447 HydrophobicContact CE1-CB 3.92Å; F414-L447 HydrophobicContact CE1-CD1 4.04Å; L417-L447 HydrophobicContact CD2-CB 4.43Å; L417-L447 HydrophobicContact CD2-CD1 3.85Å; L417-L447 HydrophobicContact CD2-CG 4.31Å; H418-L447 PolarHBondContact NE2-N 3.2Å; H444-L447 HydrophobicContact CB-CD1 4.17Å; H444-L447 WeakPolarHBondContact O-CD1 3.3Å; L447-F449 PolarHBondContact O-N 2.71Å; L447-F449 VanDerWaalsContact O-N 3.09Å; L447-S450 PolarHBondContact O-N 3.09Å
448	P	97.3	Very high	94	Very high	14 Å²	14	47.3 Å²	47.3	9%	0.091	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.7	-179.7	31.1	-39.6	0	0	0	112.9	L379 F446	L379-P448 HydrophobicContact CB-CB 4.14Å; L379-P448 HydrophobicContact CD1-CB 4.48Å; F446-P448 HydrophobicContact CD1-CG 4.12Å; F446-P448 HydrophobicContact CD2-CG 4.48Å; F446-P448 HydrophobicContact CE1-CG 3.52Å; F446-P448 HydrophobicContact CE2-CG 3.92Å; F446-P448 HydrophobicContact CZ-CB 4.34Å; F446-P448 HydrophobicContact CZ-CG 3.42Å; F446-P448 VanDerWaalsContact CZ-CG 3.42Å
449	F	97.7	Very high	94.3	Very high	49 Å²	49	44.3 Å²	44.3	22%	0.215	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	18.1	177.9	-62.2	-70.7	0	0	0	113	L379 L447 C456 K459 A462 M463	L379-F449 HydrophobicContact CD1-CE2 4.32Å; L379-F449 HydrophobicContact CD1-CZ 4.4Å; L447-F449 PolarHBondContact O-N 2.71Å; L447-F449 VanDerWaalsContact O-N 3.09Å; F449-C456 HydrophobicContact CB-CB 3.87Å; F449-C456 HydrophobicContact CD1-CB 4.01Å; F449-C456 HydrophobicContact CG-CB 4.41Å; F449-C456 WeakPolarHBondContact O-CB 3.47Å; F449-C456 PolarHBondContact O-N 3.27Å; F449-K459 HydrophobicContact CB-CB 4.04Å; F449-K459 HydrophobicContact CD1-CB 3.9Å; F449-K459 HydrophobicContact CD2-CB 4.27Å; F449-K459 HydrophobicContact CE1-CB 4.47Å; F449-K459 HydrophobicContact CG-CB 3.8Å; F449-A462 HydrophobicContact CE1-CB 3.68Å; F449-A462 HydrophobicContact CZ-CB 4.06Å; F449-M463 HydrophobicContact CE2-CG 3.86Å; F449-M463 HydrophobicContact CE2-SD 3.76Å; F449-M463 HydrophobicContact CZ-CG 3.98Å; F449-M463 HydrophobicContact CZ-SD 3.96Å
450	S	96.4	Very high	94.7	Very high	24 Å²	24	46.9 Å²	46.9	17%	0.168	27%	0.267	C	S	.	.			trans	58.3	-178.1	-169.3	-173	0	0	0	0	112.6	L109 L447	L109-S450 WeakPolarHBondContact CD2-OG 3.37Å; L447-S450 PolarHBondContact O-N 3.09Å
451	G	94	Very high	95.1	Very high	10 Å²	10	40.5 Å²	40.5	10%	0.103	23%	0.228	C	C	.	.			trans	-128.8	-177.3	173.1	0	0	0	0	0	112.7	N455	G451-N455 PolarHBondContact O-N 2.81Å
452	G	92.8	Very high	95.5	Very high	35 Å²	35	38.1 Å²	38.1	36%	0.361	22%	0.219	S	C	.	.	S	Bend	trans	68.5	-164.5	176.4	0	0	0	0	0	115.1	L109 R454 N455	L109-G452 WeakPolarHBondContact O-CA 3.25Å; G452-R454 PolarHBondContact O-N 3.01Å; G452-N455 WeakPolarHBondContact O-CB 3.43Å; G452-N455 PolarHBondContact O-N 2.77Å
453	S	89.5	Confident	95.7	Very high	57 Å²	57	36.3 Å²	36.3	40%	0.399	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.2	-179.3	60.4	0	0	0	0	112.9	W138	W138-S453 WeakPolarHBondContact CH2-O 3.32Å; W138-S453 VanDerWaalsContact CZ2-O 3.23Å; W138-S453 WeakPolarHBondContact CZ2-O 3.35Å
454	R	91.9	Very high	95.8	Very high	28 Å²	28	33.1 Å²	33.1	11%	0.106	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	24.1	-178.8	-53.4	-61.7	-58.4	-94.3	12.9	113.2	L133 N134 W138 G452	L133-R454 PolarHBondContact O-NH1 2.86Å; L133-R454 PolarHBondContact O-NH2 3.36Å; N134-R454 PolarHBondContact OD1-NH1 3.39Å; W138-R454 VanDerWaalsContact CD1-NH2 3.32Å; W138-R454 VanDerWaalsContact CE2-CD 3.42Å; W138-R454 VanDerWaalsContact CE2-NE 3.25Å; W138-R454 VanDerWaalsContact CZ2-CD 3.41Å; W138-R454 VanDerWaalsContact NE1-NE 3.16Å; G452-R454 PolarHBondContact O-N 3.01Å
455	N	94.8	Very high	95.9	Very high	44 Å²	44	31.6 Å²	31.6	24%	0.235	18%	0.181	C	C	.	.	S	Bend	trans	-63.9	165.4	173.7	70	8.3	0	0	0	112.4	R142 G451 G452 I457	R142-N455 PolarHBondContact NH1-O 3.33Å; R142-N455 PolarHBondContact NH2-OD1 2.81Å; G451-N455 PolarHBondContact O-N 2.81Å; G452-N455 WeakPolarHBondContact O-CB 3.43Å; G452-N455 PolarHBondContact O-N 2.77Å; N455-I457 PolarHBondContact O-N 3.06Å
456	C	96.8	Very high	95.9	Very high	49 Å²	49	31.7 Å²	31.7	33%	0.331	18%	0.181	S	C	.	.			trans	-62.1	122.5	175.9	-175.2	0	0	0	0	110.9	F449 G458 K459	F449-C456 HydrophobicContact CB-CB 3.87Å; F449-C456 HydrophobicContact CD1-CB 4.01Å; F449-C456 HydrophobicContact CG-CB 4.41Å; F449-C456 WeakPolarHBondContact O-CB 3.47Å; F449-C456 PolarHBondContact O-N 3.27Å; C456-G458 VanDerWaalsContact C-N 3.33Å; C456-G458 PolarHBondContact SG-N 3.11Å; C456-K459 HydrophobicContact CB-CB 4.31Å
457	I	95.5	Very high	95.9	Very high	33 Å²	33	30.8 Å²	30.8	17%	0.169	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-35.2	176.1	-163.2	175.7	0	0	0	111.6	L130 L145 F149 N455 K459	L130-I457 HydrophobicContact CD2-CB 4.46Å; L130-I457 HydrophobicContact CD2-CD1 3.84Å; L130-I457 HydrophobicContact CD2-CG2 4.18Å; L145-I457 HydrophobicContact CB-CD1 3.97Å; F149-I457 HydrophobicContact CD2-CD1 3.73Å; F149-I457 HydrophobicContact CD2-CG1 3.61Å; F149-I457 HydrophobicContact CD2-CG2 4.37Å; F149-I457 HydrophobicContact CE2-CD1 3.76Å; F149-I457 HydrophobicContact CE2-CG1 3.96Å; F149-I457 HydrophobicContact CE2-CG2 4Å; F149-I457 HydrophobicContact CG-CG1 4.28Å; F149-I457 HydrophobicContact CZ-CG2 4.2Å; N455-I457 PolarHBondContact O-N 3.06Å; I457-K459 PolarHBondContact O-N 2.83Å
458	G	95.6	Very high	96	Very high	12 Å²	12	30.3 Å²	30.3	12%	0.124	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	18.3	-178.8	0	0	0	0	0	115	C456 H460 L461 A462	C456-G458 VanDerWaalsContact C-N 3.33Å; C456-G458 PolarHBondContact SG-N 3.11Å; G458-H460 VanDerWaalsContact C-N 3.3Å; G458-H460 PolarHBondContact O-N 2.62Å; G458-L461 WeakPolarHBondContact O-CB 3.37Å; G458-L461 PolarHBondContact O-N 3.42Å; G458-A462 WeakPolarHBondContact O-CB 3.46Å; G458-A462 PolarHBondContact O-N 2.77Å
459	K	96.2	Very high	96	Very high	79 Å²	79	29.7 Å²	29.7	34%	0.343	17%	0.17	S	C	.	.	H	α-helix	trans	-57.7	-39.5	-173.5	73.6	-178.1	-173.1	178.3	0	113.5	F449 C456 I457 M463	F449-K459 HydrophobicContact CB-CB 4.04Å; F449-K459 HydrophobicContact CD1-CB 3.9Å; F449-K459 HydrophobicContact CD2-CB 4.27Å; F449-K459 HydrophobicContact CE1-CB 4.47Å; F449-K459 HydrophobicContact CG-CB 3.8Å; C456-K459 HydrophobicContact CB-CB 4.31Å; I457-K459 PolarHBondContact O-N 2.83Å; K459-M463 WeakPolarHBondContact O-CG 3.29Å; K459-M463 PolarHBondContact O-N 2.86Å; K459-M463 VanDerWaalsContact O-N 3.08Å
460	H	95.7	Very high	96.1	Very high	101 Å²	101	27.3 Å²	27.3	47%	0.468	16%	0.16	S	C	.	.	H	α-helix	trans	-74.1	-41.6	-179.3	-68.7	-67.5	0	0	0	111.3	L154 G458 A462 M463 N464	L154-H460 HydrophobicContact CD1-CB 3.61Å; G458-H460 VanDerWaalsContact C-N 3.3Å; G458-H460 PolarHBondContact O-N 2.62Å; H460-A462 PolarHBondContact O-N 3.31Å; H460-M463 PolarHBondContact O-N 2.79Å; H460-N464 WeakPolarHBondContact O-CB 3.39Å; H460-N464 VanDerWaalsContact O-CG 3.22Å; H460-N464 PolarHBondContact O-N 2.64Å; H460-N464 PolarHBondContact O-OD1 2.92Å
461	L	95.6	Very high	96.2	Very high	15 Å²	15	26.2 Å²	26.2	8%	0.079	15%	0.152	C	C	.	.	H	α-helix	trans	-55.3	-52	171.3	176.2	62.1	0	0	0	111	F149 L154 M161 I196 Y199 G458 M463 N464 V465	F149-L461 HydrophobicContact CD1-CD2 4.35Å; F149-L461 HydrophobicContact CE1-CD2 4.12Å; L154-L461 HydrophobicContact CD2-CB 3.83Å; L154-L461 HydrophobicContact CD2-CD1 3.89Å; L154-L461 HydrophobicContact CD2-CG 4.42Å; M161-L461 HydrophobicContact CE-CD1 3.37Å; I196-L461 HydrophobicContact CD1-CD2 4.21Å; Y199-L461 HydrophobicContact CD1-CD1 4.38Å; Y199-L461 HydrophobicContact CD1-CD2 3.84Å; Y199-L461 HydrophobicContact CD2-CD1 4.34Å; Y199-L461 HydrophobicContact CE1-CD1 4.27Å; Y199-L461 HydrophobicContact CE1-CD2 3.53Å; Y199-L461 HydrophobicContact CE1-CG 4.49Å; Y199-L461 HydrophobicContact CE2-CD1 4.28Å; Y199-L461 HydrophobicContact CG-CD1 4.41Å; G458-L461 WeakPolarHBondContact O-CB 3.37Å; G458-L461 PolarHBondContact O-N 3.42Å; L461-M463 PolarHBondContact O-N 3.32Å; L461-N464 PolarHBondContact O-N 3.46Å; L461-V465 HydrophobicContact CD1-CG2 4.16Å; L461-V465 WeakPolarHBondContact O-CG2 3.4Å; L461-V465 PolarHBondContact O-N 3.42Å
462	A	97.2	Very high	96.4	Very high	15 Å²	15	26.6 Å²	26.6	12%	0.124	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-46.7	-179.3	0	0	0	0	0	112.2	F449 G458 H460 N464 V465 L466	F449-A462 HydrophobicContact CE1-CB 3.68Å; F449-A462 HydrophobicContact CZ-CB 4.06Å; G458-A462 WeakPolarHBondContact O-CB 3.46Å; G458-A462 PolarHBondContact O-N 2.77Å; H460-A462 PolarHBondContact O-N 3.31Å; A462-N464 VanDerWaalsContact C-N 3.31Å; A462-N464 PolarHBondContact O-N 3.38Å; A462-V465 PolarHBondContact O-N 2.94Å; A462-L466 WeakPolarHBondContact O-CB 3.39Å; A462-L466 WeakPolarHBondContact O-CD1 3.49Å; A462-L466 VanDerWaalsContact O-CG 3.28Å; A462-L466 WeakPolarHBondContact O-CG 3.34Å; A462-L466 PolarHBondContact O-N 3.46Å
463	M	97.8	Very high	96.6	Very high	31 Å²	31	24.9 Å²	24.9	15%	0.153	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-36.6	177	-76.9	-57.9	-51.7	0	0	112.9	T372 I375 L379 F449 K459 H460 L461 L466 K467	T372-M463 HydrophobicContact CG2-CE 4.41Å; I375-M463 HydrophobicContact CG2-CE 3.83Å; I375-M463 HydrophobicContact CG2-SD 4.31Å; L379-M463 HydrophobicContact CD1-SD 4.13Å; F449-M463 HydrophobicContact CE2-CG 3.86Å; F449-M463 HydrophobicContact CE2-SD 3.76Å; F449-M463 HydrophobicContact CZ-CG 3.98Å; F449-M463 HydrophobicContact CZ-SD 3.96Å; K459-M463 WeakPolarHBondContact O-CG 3.29Å; K459-M463 PolarHBondContact O-N 2.86Å; K459-M463 VanDerWaalsContact O-N 3.08Å; H460-M463 PolarHBondContact O-N 2.79Å; L461-M463 PolarHBondContact O-N 3.32Å; M463-L466 HydrophobicContact SD-CD1 4.15Å; M463-K467 VanDerWaalsContact O-CG 3.29Å; M463-K467 WeakPolarHBondContact O-CG 3.3Å; M463-K467 PolarHBondContact O-N 2.88Å; M463-K467 VanDerWaalsContact O-N 3.08Å
464	N	97.5	Very high	97	Very high	15 Å²	15	22.2 Å²	22.2	8%	0.08	12%	0.116	C	C	.	.	H	α-helix	trans	-67.9	-46.6	177.3	-72.6	4	0	0	0	111.5	M161 W362 L365 H460 L461 A462 L466 K467 V468	M161-N464 HydrophobicContact SD-CB 4.05Å; W362-N464 WeakPolarHBondContact CZ3-ND2 3.15Å; L365-N464 HydrophobicContact CD1-CB 3.73Å; L365-N464 VanDerWaalsContact CD1-CG 3.46Å; H460-N464 WeakPolarHBondContact O-CB 3.39Å; H460-N464 VanDerWaalsContact O-CG 3.22Å; H460-N464 PolarHBondContact O-N 2.64Å; H460-N464 PolarHBondContact O-OD1 2.92Å; L461-N464 PolarHBondContact O-N 3.46Å; A462-N464 VanDerWaalsContact C-N 3.31Å; A462-N464 PolarHBondContact O-N 3.38Å; N464-L466 VanDerWaalsContact C-N 3.33Å; N464-L466 PolarHBondContact O-N 3.18Å; N464-K467 PolarHBondContact O-N 2.79Å; N464-V468 VanDerWaalsContact O-CG2 3.3Å; N464-V468 WeakPolarHBondContact O-CG2 3.32Å; N464-V468 PolarHBondContact O-N 2.96Å
465	V	97.5	Very high	97.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-39.7	178.6	-174.9	0	0	0	0	111.1	M161 M192 T195 I329 L461 A462 K467 V468 A469	M161-V465 HydrophobicContact CB-CG2 4.47Å; M161-V465 HydrophobicContact CE-CG2 4.23Å; M161-V465 HydrophobicContact CG-CG2 3.78Å; M161-V465 HydrophobicContact SD-CB 4.45Å; M161-V465 HydrophobicContact SD-CG2 3.5Å; M161-V465 VanDerWaalsContact SD-CG2 3.5Å; M192-V465 HydrophobicContact CE-CB 4.47Å; M192-V465 HydrophobicContact CE-CG1 3.95Å; M192-V465 HydrophobicContact CE-CG2 4.41Å; M192-V465 HydrophobicContact SD-CB 4.37Å; M192-V465 HydrophobicContact SD-CG1 3.42Å; M192-V465 WeakPolarHBondContact SD-CG1 3.4Å; T195-V465 HydrophobicContact CG2-CG2 4.18Å; I329-V465 HydrophobicContact CD1-CG1 4.12Å; L461-V465 HydrophobicContact CD1-CG2 4.16Å; L461-V465 WeakPolarHBondContact O-CG2 3.4Å; L461-V465 PolarHBondContact O-N 3.42Å; A462-V465 PolarHBondContact O-N 2.94Å; V465-K467 VanDerWaalsContact C-N 3.33Å; V465-K467 PolarHBondContact O-N 3.39Å; V465-V468 PolarHBondContact O-N 2.87Å; V465-A469 VanDerWaalsContact O-CB 3.23Å; V465-A469 WeakPolarHBondContact O-CB 3.33Å; V465-A469 PolarHBondContact O-N 3.34Å
466	L	98.6	Very high	97.3	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-55.8	-47.5	172.7	-77.3	158.8	0	0	0	111.6	I329 V332 I375 L379 A462 M463 N464 V470	I329-L466 HydrophobicContact CB-CD2 4.28Å; I329-L466 HydrophobicContact CG1-CD2 3.52Å; I329-L466 HydrophobicContact CG1-CG 4.19Å; V332-L466 HydrophobicContact CG2-CD2 4.04Å; I375-L466 HydrophobicContact CD1-CB 4.32Å; I375-L466 HydrophobicContact CG2-CB 4.22Å; I375-L466 HydrophobicContact CG2-CD1 4.16Å; L379-L466 HydrophobicContact CD1-CD1 4.15Å; A462-L466 WeakPolarHBondContact O-CB 3.39Å; A462-L466 WeakPolarHBondContact O-CD1 3.49Å; A462-L466 VanDerWaalsContact O-CG 3.28Å; A462-L466 WeakPolarHBondContact O-CG 3.34Å; A462-L466 PolarHBondContact O-N 3.46Å; M463-L466 HydrophobicContact SD-CD1 4.15Å; N464-L466 VanDerWaalsContact C-N 3.33Å; N464-L466 PolarHBondContact O-N 3.18Å; L466-V470 WeakPolarHBondContact O-CB 3.43Å; L466-V470 VanDerWaalsContact O-CG2 3.23Å; L466-V470 WeakPolarHBondContact O-CG2 3.24Å; L466-V470 PolarHBondContact O-N 2.61Å
467	K	98.6	Very high	97.3	Very high	21 Å²	21	22 Å²	22	9%	0.091	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-46.2	178.2	-75	177.2	174.3	-156.9	0	112.6	L365 M368 T372 I375 M463 N464 V465 V470 A471	L365-K467 HydrophobicContact CB-CD 4.23Å; L365-K467 HydrophobicContact CD2-CB 4.02Å; L365-K467 PolarHBondContact O-NZ 3.06Å; M368-K467 HydrophobicContact CE-CB 3.97Å; M368-K467 HydrophobicContact CE-CD 4.47Å; T372-K467 WeakPolarHBondContact OG1-CE 3.35Å; T372-K467 PolarHBondContact OG1-NZ 2.79Å; I375-K467 HydrophobicContact CD1-CB 4.46Å; I375-K467 HydrophobicContact CD1-CG 3.75Å; M463-K467 VanDerWaalsContact O-CG 3.29Å; M463-K467 WeakPolarHBondContact O-CG 3.3Å; M463-K467 PolarHBondContact O-N 2.88Å; M463-K467 VanDerWaalsContact O-N 3.08Å; N464-K467 PolarHBondContact O-N 2.79Å; V465-K467 VanDerWaalsContact C-N 3.33Å; V465-K467 PolarHBondContact O-N 3.39Å; K467-V470 PolarHBondContact O-N 2.87Å; K467-A471 WeakPolarHBondContact O-CB 3.32Å; K467-A471 PolarHBondContact O-N 3.47Å
468	V	98.5	Very high	97.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.6	-46.5	178.1	173.4	0	0	0	0	110.5	V158 M161 A162 V165 I360 L365 N464 V465 A471 L472	V158-V468 HydrophobicContact CG1-CG2 4.06Å; M161-V468 HydrophobicContact CB-CB 4.47Å; M161-V468 HydrophobicContact CB-CG1 4.19Å; M161-V468 HydrophobicContact CB-CG2 4.36Å; A162-V468 HydrophobicContact CB-CG1 4.19Å; V165-V468 HydrophobicContact CG2-CG1 4.25Å; I360-V468 HydrophobicContact CD1-CB 4.48Å; I360-V468 HydrophobicContact CD1-CG2 4.08Å; I360-V468 HydrophobicContact CG2-CG1 4.25Å; L365-V468 HydrophobicContact CD2-CG2 3.83Å; N464-V468 VanDerWaalsContact O-CG2 3.3Å; N464-V468 WeakPolarHBondContact O-CG2 3.32Å; N464-V468 PolarHBondContact O-N 2.96Å; V465-V468 PolarHBondContact O-N 2.87Å; V468-A471 PolarHBondContact O-N 2.89Å; V468-L472 HydrophobicContact CG1-CD1 3.79Å; V468-L472 HydrophobicContact CG1-CG 4.34Å; V468-L472 WeakPolarHBondContact O-CB 3.19Å; V468-L472 WeakPolarHBondContact O-CG 3.23Å; V468-L472 PolarHBondContact O-N 3.38Å
469	A	98.6	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.3	-47	178.7	0	0	0	0	0	111.7	V165 I329 F333 V465 T473	V165-A469 HydrophobicContact CG2-CB 4.16Å; I329-A469 HydrophobicContact CD1-CB 3.94Å; I329-A469 HydrophobicContact CG1-CB 4.24Å; I329-A469 HydrophobicContact CG2-CB 4.02Å; F333-A469 HydrophobicContact CZ-CB 4.19Å; V465-A469 VanDerWaalsContact O-CB 3.23Å; V465-A469 WeakPolarHBondContact O-CB 3.33Å; V465-A469 PolarHBondContact O-N 3.34Å; A469-T473 WeakPolarHBondContact O-CB 3.48Å; A469-T473 PolarHBondContact O-N 2.85Å; A469-T473 VanDerWaalsContact O-N 3.07Å; A469-T473 PolarHBondContact O-OG1 3.21Å
470	V	98.6	Very high	97.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-50.8	176.9	174.2	0	0	0	0	111.2	V332 F333 L336 T371 I375 L466 K467 L472 T473 L474	V332-V470 HydrophobicContact CG1-CG2 3.47Å; V332-V470 VanDerWaalsContact CG1-CG2 3.47Å; F333-V470 HydrophobicContact CD1-CG2 4.35Å; F333-V470 HydrophobicContact CE1-CG2 3.89Å; L336-V470 HydrophobicContact CD1-CG1 3.86Å; L336-V470 HydrophobicContact CD1-CG2 4.4Å; T371-V470 HydrophobicContact CG2-CB 4.23Å; T371-V470 HydrophobicContact CG2-CG1 3.56Å; I375-V470 HydrophobicContact CD1-CG2 4.22Å; I375-V470 HydrophobicContact CG1-CG2 4.2Å; L466-V470 WeakPolarHBondContact O-CB 3.43Å; L466-V470 VanDerWaalsContact O-CG2 3.23Å; L466-V470 WeakPolarHBondContact O-CG2 3.24Å; L466-V470 PolarHBondContact O-N 2.61Å; K467-V470 PolarHBondContact O-N 2.87Å; V470-L472 PolarHBondContact O-N 3.44Å; V470-T473 PolarHBondContact O-N 2.89Å; V470-L474 HydrophobicContact CG1-CD1 3.71Å; V470-L474 HydrophobicContact CG1-CG 4.12Å; V470-L474 WeakPolarHBondContact O-CB 3.48Å; V470-L474 VanDerWaalsContact O-CG 3.31Å; V470-L474 WeakPolarHBondContact O-CG 3.47Å; V470-L474 PolarHBondContact O-N 2.83Å
471	A	98.4	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.9	-55.3	-177.4	0	0	0	0	0	111.9	V350 L354 I360 M368 K467 V468 T473 L474 L475	V350-A471 HydrophobicContact CG1-CB 3.67Å; V350-A471 HydrophobicContact CG2-CB 3.93Å; L354-A471 HydrophobicContact CD1-CB 4.49Å; I360-A471 HydrophobicContact CD1-CB 3.89Å; M368-A471 HydrophobicContact CE-CB 4.48Å; M368-A471 HydrophobicContact SD-CB 3.92Å; K467-A471 WeakPolarHBondContact O-CB 3.32Å; K467-A471 PolarHBondContact O-N 3.47Å; V468-A471 PolarHBondContact O-N 2.89Å; A471-T473 VanDerWaalsContact C-N 3.32Å; A471-T473 PolarHBondContact O-N 3.24Å; A471-L474 PolarHBondContact O-N 3.47Å; A471-L475 WeakPolarHBondContact O-CG 3.45Å; A471-L475 PolarHBondContact O-N 2.91Å
472	L	98.1	Very high	97.4	Very high	18 Å²	18	17.4 Å²	17.4	9%	0.094	9%	0.089	C	C	.	.	H	α-helix	trans	-68.3	-31.6	-176.8	-61.6	-179	0	0	0	112.6	A162 V165 Q166 L169 I360 V468 V470	A162-L472 HydrophobicContact CB-CD1 3.87Å; V165-L472 HydrophobicContact CB-CD1 4.09Å; V165-L472 HydrophobicContact CG1-CB 3.83Å; V165-L472 HydrophobicContact CG1-CD1 3.89Å; V165-L472 HydrophobicContact CG1-CG 4.45Å; Q166-L472 HydrophobicContact CG-CD1 4.41Å; L169-L472 HydrophobicContact CD1-CB 3.88Å; L169-L472 WeakPolarHBondContact CD1-O 3.41Å; I360-L472 HydrophobicContact CG2-CD1 4.31Å; I360-L472 HydrophobicContact CG2-CD2 4.26Å; I360-L472 HydrophobicContact CG2-CG 4.49Å; V468-L472 HydrophobicContact CG1-CD1 3.79Å; V468-L472 HydrophobicContact CG1-CG 4.34Å; V468-L472 WeakPolarHBondContact O-CB 3.19Å; V468-L472 WeakPolarHBondContact O-CG 3.23Å; V468-L472 PolarHBondContact O-N 3.38Å; V470-L472 PolarHBondContact O-N 3.44Å
473	T	98.1	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69.8	-45.9	176.7	-56.1	0	0	0	0	111.1	L169 W172 F333 A469 V470 A471 L475 R476 F477 L479	L169-T473 HydrophobicContact CD2-CG2 4.15Å; W172-T473 HydrophobicContact CZ3-CG2 4.15Å; F333-T473 HydrophobicContact CE2-CG2 4.24Å; F333-T473 HydrophobicContact CZ-CG2 4.06Å; F333-T473 VanDerWaalsContact CZ-OG1 3.27Å; F333-T473 WeakPolarHBondContact CZ-OG1 3.35Å; A469-T473 WeakPolarHBondContact O-CB 3.48Å; A469-T473 PolarHBondContact O-N 2.85Å; A469-T473 VanDerWaalsContact O-N 3.07Å; A469-T473 PolarHBondContact O-OG1 3.21Å; V470-T473 PolarHBondContact O-N 2.89Å; A471-T473 VanDerWaalsContact C-N 3.32Å; A471-T473 PolarHBondContact O-N 3.24Å; T473-L475 VanDerWaalsContact C-N 3.26Å; T473-L475 PolarHBondContact O-N 3.28Å; T473-R476 PolarHBondContact O-N 3.49Å; T473-F477 HydrophobicContact CG2-CD2 4.47Å; T473-F477 PolarHBondContact O-N 2.87Å; T473-L479 HydrophobicContact CG2-CD1 4.34Å; T473-L479 HydrophobicContact CG2-CD2 3.95Å; T473-L479 HydrophobicContact CG2-CG 4.44Å
474	L	97.9	Very high	97.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-20.5	-177.6	-66.7	-173.8	0	0	0	113.9	L336 Q343 C346 R347 V470 A471 R476 L479 L508	L336-L474 HydrophobicContact CD1-CD1 4.27Å; Q343-L474 HydrophobicContact CG-CD2 3.59Å; C346-L474 HydrophobicContact CB-CD1 3.51Å; R347-L474 HydrophobicContact CB-CB 4.41Å; R347-L474 PolarHBondContact NE-O 3.02Å; R347-L474 VanDerWaalsContact NE-O 3.08Å; V470-L474 HydrophobicContact CG1-CD1 3.71Å; V470-L474 HydrophobicContact CG1-CG 4.12Å; V470-L474 WeakPolarHBondContact O-CB 3.48Å; V470-L474 VanDerWaalsContact O-CG 3.31Å; V470-L474 WeakPolarHBondContact O-CG 3.47Å; V470-L474 PolarHBondContact O-N 2.83Å; A471-L474 PolarHBondContact O-N 3.47Å; L474-R476 VanDerWaalsContact C-N 3.34Å; L474-L479 HydrophobicContact CD2-CD1 4.35Å; L474-L508 VanDerWaalsContact O-CD1 3.3Å; L474-L508 WeakPolarHBondContact O-CD1 3.38Å
475	L	96.8	Very high	96.9	Very high	52 Å²	52	27.8 Å²	27.8	27%	0.272	15%	0.151	S	C	.	.	H	α-helix	trans	-73.8	-22.3	170	-72.8	172.6	0	0	0	113.4	V350 Q351 L354 A471 T473	V350-L475 HydrophobicContact CG1-CD1 3.8Å; V350-L475 HydrophobicContact CG1-CD2 3.96Å; V350-L475 HydrophobicContact CG1-CG 3.67Å; Q351-L475 HydrophobicContact CB-CD2 4.18Å; L354-L475 HydrophobicContact CB-CD1 3.84Å; L354-L475 HydrophobicContact CD1-CD1 4.13Å; A471-L475 WeakPolarHBondContact O-CG 3.45Å; A471-L475 PolarHBondContact O-N 2.91Å; T473-L475 VanDerWaalsContact C-N 3.26Å; T473-L475 PolarHBondContact O-N 3.28Å
476	R	95.2	Very high	96.9	Very high	64 Å²	64	31.6 Å²	31.6	24%	0.242	17%	0.174	C	C	.	.	H	α-helix	trans	-109.2	-30.6	-176.7	-63.5	-163.9	-169.7	-172.1	3.8	113.8	L169 E173 T473 L474 L508	L169-R476 HydrophobicContact CD1-CG 4.49Å; E173-R476 WeakPolarHBondContact OE1-CD 3.49Å; E173-R476 IonicContact OE1-CZ 2.78Å; E173-R476 IonicContact OE1-NE 3.26Å; E173-R476 IonicContact OE1-NH1 3.42Å; E173-R476 PolarHBondContact OE1-NH1 2.9Å; T473-R476 PolarHBondContact O-N 3.49Å; L474-R476 VanDerWaalsContact C-N 3.34Å; R476-L508 PolarHBondContact O-N 3.43Å
477	F	96.4	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.5	-172.3	-60.9	-76.4	0	0	0	112.6	L169 W172 E173 A176 R347 T473 L479 L505 R506 K507	L169-F477 HydrophobicContact CB-CE2 4.38Å; L169-F477 HydrophobicContact CD2-CD2 3.99Å; L169-F477 HydrophobicContact CD2-CE2 3.82Å; W172-F477 HydrophobicContact CB-CE2 4.06Å; W172-F477 HydrophobicContact CB-CZ 3.92Å; E173-F477 HydrophobicContact CB-CZ 4.25Å; E173-F477 HydrophobicContact CG-CE1 4.15Å; E173-F477 HydrophobicContact CG-CE2 4.18Å; E173-F477 HydrophobicContact CG-CZ 3.42Å; E173-F477 VanDerWaalsContact CG-CZ 3.42Å; A176-F477 HydrophobicContact CB-CE1 3.84Å; R347-F477 PolarHBondContact NH2-O 3.4Å; R347-F477 VanDerWaalsContact NH2-O 3.17Å; T473-F477 HydrophobicContact CG2-CD2 4.47Å; T473-F477 PolarHBondContact O-N 2.87Å; F477-L479 HydrophobicContact CB-CD2 4.42Å; F477-L505 HydrophobicContact CD1-CB 4Å; F477-L505 HydrophobicContact CE1-CB 4.36Å; F477-R506 CarbonylContact C-O 3.39Å; F477-R506 VanDerWaalsContact CA-O 3.3Å; F477-R506 WeakPolarHBondContact CA-O 3.26Å; F477-K507 HydrophobicContact CD1-CB 4.34Å; F477-K507 HydrophobicContact CE1-CB 4.24Å
478	E	96.9	Very high	96.6	Very high	45 Å²	45	33.3 Å²	33.3	21%	0.21	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.1	152.1	-177.1	-173	-176.5	0	0	108.7	L480 R506 L508	E478-L480 HydrophobicContact CG-CD2 4.29Å; E478-L480 HydrophobicContact CG-CG 4.41Å; E478-R506 HydrophobicContact CB-CB 4.23Å; E478-R506 PolarHBondContact N-O 2.87Å; E478-R506 PolarHBondContact O-N 3.3Å; E478-R506 IonicContact OE1-NH1 3.53Å; E478-R506 WeakPolarHBondContact OE2-CD 3.48Å; E478-R506 IonicContact OE2-CZ 3.59Å; E478-R506 IonicContact OE2-NE 2.79Å; E478-R506 IonicContact OE2-NH1 2.73Å; E478-R506 PolarHBondContact OE2-NH1 3.23Å; E478-L508 HydrophobicContact CB-CD2 4.12Å
479	L	97.5	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.8	178.2	-56.8	179.2	0	0	0	109	F333 A337 Q343 T473 L474 F477 L503 L505	F333-L479 HydrophobicContact CB-CD1 3.83Å; F333-L479 HydrophobicContact CD1-CD1 4.03Å; F333-L479 HydrophobicContact CD2-CD1 4.44Å; F333-L479 HydrophobicContact CG-CD1 3.86Å; A337-L479 WeakPolarHBondContact CA-O 3.46Å; A337-L479 HydrophobicContact CB-CB 3.96Å; Q343-L479 PolarHBondContact NE2-O 3.25Å; T473-L479 HydrophobicContact CG2-CD1 4.34Å; T473-L479 HydrophobicContact CG2-CD2 3.95Å; T473-L479 HydrophobicContact CG2-CG 4.44Å; L474-L479 HydrophobicContact CD2-CD1 4.35Å; F477-L479 HydrophobicContact CB-CD2 4.42Å; L479-L503 HydrophobicContact CB-CD1 4.44Å; L479-L505 HydrophobicContact CD2-CD2 3.33Å
480	L	96.9	Very high	96.2	Very high	43 Å²	43	35 Å²	35	23%	0.225	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.2	-179.6	-64.1	168.4	0	0	0	109.7	E478 L503 H504 R506	E478-L480 HydrophobicContact CG-CD2 4.29Å; E478-L480 HydrophobicContact CG-CG 4.41Å; L480-L503 CarbonylContact O-C 3.54Å; L480-L503 WeakPolarHBondContact O-CA 3.4Å; L480-H504 HydrophobicContact CB-CB 3.99Å; L480-H504 PolarHBondContact N-O 3.39Å; L480-H504 PolarHBondContact O-N 2.94Å; L480-R506 HydrophobicContact CD1-CB 4.35Å
481	P	95.9	Very high	95.9	Very high	47 Å²	47	36.8 Å²	36.8	31%	0.305	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	149.9	-179.8	31.5	-32.3	0	0	0	110.2	A337 T338 P483	A337-P481 WeakPolarHBondContact O-CD 3.23Å; T338-P481 HydrophobicContact CG2-CB 3.89Å; T338-P481 HydrophobicContact CG2-CG 4.33Å; P481-P483 VanDerWaalsContact O-CD 3.25Å; P481-P483 WeakPolarHBondContact O-CD 3.36Å
482	D	95.1	Very high	95.4	Very high	9 Å²	9	39 Å²	39	5%	0.048	21%	0.213	C	C	.	.			trans	-89.1	104.4	165.2	179.6	-8.2	0	0	0	109.5	T181 S484 R485 Y502	T181-D482 HydrophobicContact CG2-CB 4.2Å; T181-D482 WeakPolarHBondContact CG2-OD2 3.33Å; D482-S484 PolarHBondContact O-N 3.49Å; D482-S484 WeakPolarHBondContact OD1-CA 3.27Å; D482-S484 VanDerWaalsContact OD1-CB 3.32Å; D482-S484 WeakPolarHBondContact OD1-CB 3.38Å; D482-S484 PolarHBondContact OD1-N 3.33Å; D482-S484 PolarHBondContact OD1-OG 3.4Å; D482-S484 PolarHBondContact OD2-OG 2.91Å; D482-R485 CarbonylContact O-C 3.55Å; D482-R485 PolarHBondContact O-N 2.87Å; D482-R485 VanDerWaalsContact O-N 3.13Å; D482-R485 IonicContact OD2-CZ 3.91Å; D482-R485 IonicContact OD2-NE 3.53Å; D482-R485 PolarHBondContact OD2-NE 3.34Å; D482-R485 IonicContact OD2-NH2 3.68Å; D482-R485 PolarHBondContact OD2-NH2 2.9Å; D482-Y502 PolarHBondContact N-O 3.48Å
483	P	93.8	Very high	95.1	Very high	107 Å²	107	39.5 Å²	39.5	70%	0.695	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-66.2	-20.3	-178.1	28.2	-35.3	0	0	0	113	P481 R485	P481-P483 VanDerWaalsContact O-CD 3.25Å; P481-P483 WeakPolarHBondContact O-CD 3.36Å; P483-R485 VanDerWaalsContact C-N 3.31Å
484	S	94.5	Very high	95	Very high	96 Å²	96	39.5 Å²	39.5	67%	0.671	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-77.6	-18.6	177.1	77.2	0	0	0	0	112.9	D482	D482-S484 PolarHBondContact O-N 3.49Å; D482-S484 WeakPolarHBondContact OD1-CA 3.27Å; D482-S484 VanDerWaalsContact OD1-CB 3.32Å; D482-S484 WeakPolarHBondContact OD1-CB 3.38Å; D482-S484 PolarHBondContact OD1-N 3.33Å; D482-S484 PolarHBondContact OD1-OG 3.4Å; D482-S484 PolarHBondContact OD2-OG 2.91Å
485	R	94	Very high	94.9	Very high	76 Å²	76	39.5 Å²	39.5	29%	0.287	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-136.4	57.5	-175.9	-71.6	-178.2	-69.5	-163.1	-13.2	112.2	T181 D482 P483 Y502	T181-R485 PolarHBondContact OG1-NH2 3.5Å; D482-R485 CarbonylContact O-C 3.55Å; D482-R485 PolarHBondContact O-N 2.87Å; D482-R485 VanDerWaalsContact O-N 3.13Å; D482-R485 IonicContact OD2-CZ 3.91Å; D482-R485 IonicContact OD2-NE 3.53Å; D482-R485 PolarHBondContact OD2-NE 3.34Å; D482-R485 IonicContact OD2-NH2 3.68Å; D482-R485 PolarHBondContact OD2-NH2 2.9Å; P483-R485 VanDerWaalsContact C-N 3.31Å; R485-Y502 HydrophobicContact CB-CD2 4.2Å; R485-Y502 VanDerWaalsContact CZ-CD1 3.41Å; R485-Y502 VanDerWaalsContact NH1-CD1 3.29Å
486	V	96.3	Very high	94.8	Very high	80 Å²	80	37.9 Å²	37.9	49%	0.485	21%	0.207	S	C	.	.			trans	-55.2	121.9	170.2	-179.9	0	0	0	0	109.5	N499	V486-N499 PolarHBondContact O-ND2 3.24Å
487	P	96.6	Very high	94.8	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.058	20%	0.2	C	C	.	.			trans	-66	139.8	-176.1	27	-35.3	0	0	0	111.3	W331 Y334 P489 S497 N499 G500 I501	W331-P487 HydrophobicContact CH2-CB 3.86Å; W331-P487 HydrophobicContact CH2-CG 4.17Å; W331-P487 HydrophobicContact CZ3-CB 4.08Å; W331-P487 HydrophobicContact CZ3-CG 3.87Å; Y334-P487 HydrophobicContact CD1-CG 3.91Å; Y334-P487 HydrophobicContact CD2-CG 3.62Å; Y334-P487 HydrophobicContact CE1-CG 3.65Å; Y334-P487 HydrophobicContact CE2-CG 3.37Å; Y334-P487 HydrophobicContact CG-CG 3.89Å; Y334-P487 VanDerWaalsContact CZ-CD 3.44Å; P487-P489 WeakPolarHBondContact O-CD 3.2Å; P487-S497 WeakPolarHBondContact CA-OG 3.27Å; P487-S497 VanDerWaalsContact CB-OG 3.32Å; P487-S497 WeakPolarHBondContact CB-OG 3.41Å; P487-N499 WeakPolarHBondContact CA-OD1 3.17Å; P487-G500 WeakPolarHBondContact CB-O 3.41Å; P487-I501 HydrophobicContact CB-CG1 4Å
488	I	95.2	Very high	94.6	Very high	52 Å²	52	41.5 Å²	41.5	27%	0.267	23%	0.226	S	C	.	.			trans	-106.5	104.4	178.6	-59.2	171.6	0	0	0	108.4	T490 S497 K498 N499	I488-T490 PolarHBondContact O-N 3.29Å; I488-S497 PolarHBondContact N-OG 2.85Å; I488-S497 VanDerWaalsContact N-OG 3.1Å; I488-S497 CarbonylContact O-C 3.55Å; I488-S497 VanDerWaalsContact O-CA 3.3Å; I488-S497 WeakPolarHBondContact O-CA 3.32Å; I488-K498 HydrophobicContact CB-CB 4.17Å; I488-K498 HydrophobicContact CG2-CB 4.46Å; I488-K498 PolarHBondContact O-N 3.4Å; I488-N499 PolarHBondContact N-OD1 2.92Å
489	P	95.6	Very high	94.5	Very high	27 Å²	27	41.9 Å²	41.9	18%	0.175	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	128.8	-178.5	-20.1	28.1	0	0	0	111.9	L72 W331 Y382 P487 L495 K496	L72-P489 HydrophobicContact CD1-CB 4.21Å; W331-P489 HydrophobicContact CH2-CB 4.02Å; W331-P489 HydrophobicContact CH2-CG 3.62Å; W331-P489 HydrophobicContact CZ2-CB 4.05Å; W331-P489 HydrophobicContact CZ2-CG 4.16Å; W331-P489 HydrophobicContact CZ3-CG 4.27Å; Y382-P489 HydrophobicContact CD1-CG 4.42Å; Y382-P489 HydrophobicContact CE1-CG 4.18Å; P487-P489 WeakPolarHBondContact O-CD 3.2Å; P489-L495 HydrophobicContact CB-CD1 3.92Å; P489-L495 HydrophobicContact CB-CG 4.48Å; P489-K496 CarbonylContact C-O 3.48Å; P489-K496 WeakPolarHBondContact CA-O 3.45Å
490	T	93.3	Very high	94.4	Very high	9 Å²	9	42.6 Å²	42.6	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.9	179.5	-171.2	0	0	0	0	110.9	I488 Q492 K496 K498	I488-T490 PolarHBondContact O-N 3.29Å; T490-Q492 HydrophobicContact CG2-CG 4.22Å; T490-Q492 PolarHBondContact O-N 2.92Å; T490-K496 HydrophobicContact CG2-CB 4.35Å; T490-K496 PolarHBondContact N-O 3.44Å; T490-K496 PolarHBondContact O-N 3.32Å; T490-K498 HydrophobicContact CG2-CB 4.39Å
491	Q	91.6	Very high	94.4	Very high	37 Å²	37	40.6 Å²	40.6	17%	0.173	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	110.9	178.2	-176.8	177.6	-43	0	0	110.3	P386 S387	P386-Q491 HydrophobicContact CB-CG 4.38Å; P386-Q491 HydrophobicContact CG-CB 4.32Å; P386-Q491 HydrophobicContact CG-CG 4.07Å; S387-Q491 PolarHBondContact OG-NE2 3.33Å; S387-Q491 PolarHBondContact OG-OE1 3.42Å
492	Q	88.5	Confident	94.5	Very high	46 Å²	46	41.1 Å²	41.1	22%	0.215	22%	0.223	C	C	.	.	S	Bend	trans	-130.1	67.4	176	-71.1	179	-34.2	0	0	109.8	N224 N225 T228 T490 V494 K496	N224-Q492 PolarHBondContact OD1-O 2.9Å; N225-Q492 PolarHBondContact OD1-NE2 3.41Å; T228-Q492 WeakPolarHBondContact OG1-CA 3.33Å; T490-Q492 HydrophobicContact CG2-CG 4.22Å; T490-Q492 PolarHBondContact O-N 2.92Å; Q492-V494 CarbonylContact C-O 3.59Å; Q492-V494 PolarHBondContact N-O 3.07Å; Q492-V494 PolarHBondContact O-N 3.34Å; Q492-K496 HydrophobicContact CB-CG 4.49Å
493	L	91.3	Very high	94.6	Very high	30 Å²	30	40.7 Å²	40.7	16%	0.157	22%	0.221	C	C	.	.	S	Bend	trans	60.4	-55.8	-160.9	-57.7	-179.4	0	0	0	113.3	L122 W125 N224 V227 T228 M231 F319	L122-L493 HydrophobicContact CD1-CD1 4.48Å; L122-L493 HydrophobicContact CD1-CD2 4.43Å; L122-L493 HydrophobicContact CD2-CD1 3.66Å; W125-L493 HydrophobicContact CZ3-CD1 4.12Å; N224-L493 VanDerWaalsContact OD1-CD1 3.3Å; N224-L493 WeakPolarHBondContact OD1-CD1 3.47Å; V227-L493 HydrophobicContact CG1-CD1 4.41Å; V227-L493 HydrophobicContact CG1-CD2 4.38Å; T228-L493 PolarHBondContact OG1-N 2.99Å; M231-L493 HydrophobicContact CE-CD2 4.05Å; M231-L493 HydrophobicContact SD-CD2 3.91Å; F319-L493 HydrophobicContact CZ-CD1 4.42Å
494	V	95	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-97.1	167.5	165.2	-55.9	0	0	0	0	111.2	D323 T324 P384 I385 Q492 K496	D323-V494 WeakPolarHBondContact OD2-CG2 3.4Å; T324-V494 HydrophobicContact CG2-CG1 3.8Å; P384-V494 CarbonylContact O-C 3.59Å; P384-V494 WeakPolarHBondContact O-CA 3.44Å; P384-V494 WeakPolarHBondContact O-CB 3.23Å; I385-V494 HydrophobicContact CD1-CG1 3.85Å; Q492-V494 CarbonylContact C-O 3.59Å; Q492-V494 PolarHBondContact N-O 3.07Å; Q492-V494 PolarHBondContact O-N 3.34Å; V494-K496 HydrophobicContact CG2-CD 4.18Å; V494-K496 HydrophobicContact CG2-CG 3.76Å; V494-K496 PolarHBondContact O-N 3.05Å
495	L	96.5	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110.2	173.7	-168.8	67.6	0	0	0	110.1	L72 S327 W331 Y382 P383 P384 P386 Y415 P489	L72-L495 HydrophobicContact CD1-CD1 3.59Å; S327-L495 WeakPolarHBondContact CB-O 3.41Å; S327-L495 PolarHBondContact OG-O 3.03Å; W331-L495 HydrophobicContact CZ2-CD2 4.49Å; W331-L495 HydrophobicContact CZ2-CG 4.31Å; W331-L495 PolarHBondContact NE1-O 2.96Å; Y382-L495 HydrophobicContact CD1-CD2 4.3Å; P383-L495 WeakPolarHBondContact O-CB 3.29Å; P384-L495 PolarHBondContact O-N 3.36Å; P386-L495 HydrophobicContact CG-CB 3.91Å; P386-L495 HydrophobicContact CG-CD1 3.84Å; P386-L495 HydrophobicContact CG-CG 4.42Å; Y415-L495 HydrophobicContact CD2-CD2 4.39Å; Y415-L495 HydrophobicContact CE2-CD1 4.49Å; Y415-L495 HydrophobicContact CE2-CD2 4.29Å; P489-L495 HydrophobicContact CB-CD1 3.92Å; P489-L495 HydrophobicContact CB-CG 4.48Å
496	K	94.7	Very high	94.6	Very high	18 Å²	18	37.1 Å²	37.1	8%	0.078	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-177.2	173.4	-56.8	-160.9	-179.5	-165.6	0	109.8	F185 N224 D323 P489 T490 Q492 V494	F185-K496 HydrophobicContact CE1-CD 4.11Å; F185-K496 HydrophobicContact CE2-CD 4.36Å; F185-K496 HydrophobicContact CE2-CG 4.25Å; F185-K496 HydrophobicContact CZ-CD 3.84Å; F185-K496 VanDerWaalsContact CZ-CE 3.49Å; F185-K496 HydrophobicContact CZ-CG 4.18Å; N224-K496 PolarHBondContact ND2-NZ 2.99Å; D323-K496 IonicContact OD1-NZ 2.76Å; D323-K496 PolarHBondContact OD1-NZ 3.33Å; D323-K496 IonicContact OD2-NZ 2.73Å; D323-K496 PolarHBondContact OD2-NZ 3.38Å; P489-K496 CarbonylContact C-O 3.48Å; P489-K496 WeakPolarHBondContact CA-O 3.45Å; T490-K496 HydrophobicContact CG2-CB 4.35Å; T490-K496 PolarHBondContact N-O 3.44Å; T490-K496 PolarHBondContact O-N 3.32Å; Q492-K496 HydrophobicContact CB-CG 4.49Å; V494-K496 HydrophobicContact CG2-CD 4.18Å; V494-K496 HydrophobicContact CG2-CG 3.76Å; V494-K496 PolarHBondContact O-N 3.05Å
497	S	95.1	Very high	94.5	Very high	14 Å²	14	38.7 Å²	38.7	10%	0.098	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.9	169.4	174.8	0	0	0	0	110.1	P487 I488 N499 G500	P487-S497 WeakPolarHBondContact CA-OG 3.27Å; P487-S497 VanDerWaalsContact CB-OG 3.32Å; P487-S497 WeakPolarHBondContact CB-OG 3.41Å; I488-S497 PolarHBondContact N-OG 2.85Å; I488-S497 VanDerWaalsContact N-OG 3.1Å; I488-S497 CarbonylContact O-C 3.55Å; I488-S497 VanDerWaalsContact O-CA 3.3Å; I488-S497 WeakPolarHBondContact O-CA 3.32Å; S497-N499 PolarHBondContact O-N 3.2Å; S497-N499 PolarHBondContact OG-N 3.25Å; S497-N499 PolarHBondContact OG-OD1 3.39Å; S497-G500 VanDerWaalsContact CB-C 3.49Å; S497-G500 WeakPolarHBondContact CB-O 3.27Å; S497-G500 PolarHBondContact O-N 3.43Å; S497-G500 PolarHBondContact OG-N 3.07Å; S497-G500 PolarHBondContact OG-O 3.31Å
498	K	92.5	Very high	94.2	Very high	126 Å²	126	41 Å²	41	55%	0.548	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.3	176.2	-179.8	-170.8	176.8	179.3	0	111.7	D69 I488 T490	D69-K498 HydrophobicContact CB-CD 4.06Å; D69-K498 VanDerWaalsContact OD2-CD 3.28Å; D69-K498 WeakPolarHBondContact OD2-CD 3.36Å; D69-K498 WeakPolarHBondContact OD2-CE 3.36Å; D69-K498 IonicContact OD2-NZ 2.79Å; D69-K498 PolarHBondContact OD2-NZ 3.35Å; I488-K498 HydrophobicContact CB-CB 4.17Å; I488-K498 HydrophobicContact CG2-CB 4.46Å; I488-K498 PolarHBondContact O-N 3.4Å; T490-K498 HydrophobicContact CG2-CB 4.39Å
499	N	94.3	Very high	93.2	Very high	53 Å²	53	51.4 Å²	51.4	28%	0.283	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	26	-175.7	60.1	-32.9	0	0	0	111.8	V486 P487 I488 S497 Y502	V486-N499 PolarHBondContact O-ND2 3.24Å; P487-N499 WeakPolarHBondContact CA-OD1 3.17Å; I488-N499 PolarHBondContact N-OD1 2.92Å; S497-N499 PolarHBondContact O-N 3.2Å; S497-N499 PolarHBondContact OG-N 3.25Å; S497-N499 PolarHBondContact OG-OD1 3.39Å; N499-Y502 WeakPolarHBondContact O-CD2 3.39Å; N499-Y502 WeakPolarHBondContact O-CE2 3.44Å
500	G	95.5	Very high	93.1	Very high	15 Å²	15	52.6 Å²	52.6	16%	0.155	24%	0.244	C	C	.	.			trans	70.9	173.4	-178.4	0	0	0	0	0	113.7	P487 S497	P487-G500 WeakPolarHBondContact CB-O 3.41Å; S497-G500 VanDerWaalsContact CB-C 3.49Å; S497-G500 WeakPolarHBondContact CB-O 3.27Å; S497-G500 PolarHBondContact O-N 3.43Å; S497-G500 PolarHBondContact OG-N 3.07Å; S497-G500 PolarHBondContact OG-O 3.31Å
501	I	97.8	Very high	93	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	25%	0.254	C	S	.	.			trans	-114.7	103.3	172.3	-59.6	172.4	0	0	0	107	E183 I184 W331 Y334 P487	E183-I501 WeakPolarHBondContact CA-O 3.15Å; E183-I501 PolarHBondContact OE1-N 3.41Å; E183-I501 VanDerWaalsContact OE1-N 3.08Å; I184-I501 HydrophobicContact CD1-CB 4.37Å; I184-I501 HydrophobicContact CD1-CG2 3.67Å; I184-I501 HydrophobicContact CG1-CB 4.03Å; I184-I501 HydrophobicContact CG1-CG2 3.86Å; I184-I501 PolarHBondContact N-O 3.09Å; W331-I501 HydrophobicContact CD2-CD1 3.91Å; W331-I501 HydrophobicContact CE3-CD1 4.27Å; W331-I501 HydrophobicContact CG-CD1 4.32Å; W331-I501 HydrophobicContact CH2-CD1 4.46Å; W331-I501 HydrophobicContact CZ2-CD1 4.13Å; Y334-I501 HydrophobicContact CD2-CG2 4.42Å; Y334-I501 HydrophobicContact CG-CG2 4.41Å; P487-I501 HydrophobicContact CB-CG1 4Å
502	Y	97.4	Very high	93.1	Very high	58 Å²	58	55.9 Å²	55.9	23%	0.227	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.2	-177.1	-70.7	-93.3	0	0	0	110.7	L182 E183 D482 R485 N499	L182-Y502 VanDerWaalsContact O-CA 3.31Å; L182-Y502 WeakPolarHBondContact O-CA 3.32Å; E183-Y502 HydrophobicContact CB-CD1 3.99Å; E183-Y502 HydrophobicContact CB-CE1 3.54Å; E183-Y502 HydrophobicContact CB-CE2 4.35Å; E183-Y502 HydrophobicContact CG-CD2 4.43Å; E183-Y502 HydrophobicContact CG-CE1 4.01Å; E183-Y502 HydrophobicContact CG-CE2 3.89Å; D482-Y502 PolarHBondContact N-O 3.48Å; R485-Y502 HydrophobicContact CB-CD2 4.2Å; R485-Y502 VanDerWaalsContact CZ-CD1 3.41Å; R485-Y502 VanDerWaalsContact NH1-CD1 3.29Å; N499-Y502 WeakPolarHBondContact O-CD2 3.39Å; N499-Y502 WeakPolarHBondContact O-CE2 3.44Å
503	L	97	Very high	93.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149	175.3	-60.3	-176.6	0	0	0	110.6	L182 I184 F333 Y334 A337 L479 L480	L182-L503 PolarHBondContact N-O 3.03Å; L182-L503 PolarHBondContact O-N 3.43Å; I184-L503 HydrophobicContact CD1-CD1 3.66Å; I184-L503 HydrophobicContact CD1-CG 4.14Å; I184-L503 HydrophobicContact CG2-CB 4.22Å; I184-L503 HydrophobicContact CG2-CD1 4.3Å; I184-L503 HydrophobicContact CG2-CG 4.27Å; F333-L503 HydrophobicContact CB-CD1 3.96Å; Y334-L503 HydrophobicContact CD2-CD2 4.19Å; A337-L503 HydrophobicContact CB-CD1 4.26Å; A337-L503 HydrophobicContact CB-CD2 3.65Å; L479-L503 HydrophobicContact CB-CD1 4.44Å; L480-L503 CarbonylContact O-C 3.54Å; L480-L503 WeakPolarHBondContact O-CA 3.4Å
504	H	95.1	Very high	93.5	Very high	52 Å²	52	58.1 Å²	58.1	24%	0.241	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.2	161.2	-64.7	-97.2	0	0	0	109.1	T181 L480	T181-H504 WeakPolarHBondContact CG2-CE1 3.15Å; T181-H504 WeakPolarHBondContact CG2-NE2 3.31Å; L480-H504 HydrophobicContact CB-CB 3.99Å; L480-H504 PolarHBondContact N-O 3.39Å; L480-H504 PolarHBondContact O-N 2.94Å
505	L	94.7	Very high	93.4	Very high	16 Å²	16	62 Å²	62	8%	0.084	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.5	177.9	-57.2	-179.7	0	0	0	108.5	W172 A176 L182 F477 L479	W172-L505 HydrophobicContact CB-CD1 3.81Å; W172-L505 HydrophobicContact CD2-CD1 3.69Å; W172-L505 HydrophobicContact CE3-CD1 3.5Å; W172-L505 HydrophobicContact CE3-CD2 4.13Å; W172-L505 HydrophobicContact CE3-CG 4.49Å; W172-L505 HydrophobicContact CG-CD1 3.86Å; W172-L505 HydrophobicContact CZ3-CD1 4.24Å; W172-L505 HydrophobicContact CZ3-CD2 4.12Å; A176-L505 HydrophobicContact CB-CB 4.23Å; L182-L505 HydrophobicContact CD2-CD1 3.77Å; F477-L505 HydrophobicContact CD1-CB 4Å; F477-L505 HydrophobicContact CE1-CB 4.36Å; L479-L505 HydrophobicContact CD2-CD2 3.33Å
506	R	93.4	Very high	93.2	Very high	136 Å²	136	66.4 Å²	66.4	51%	0.513	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.3	172.2	-178.6	-174.8	-61.3	154.9	-5.6	108.7	F477 E478 L480	F477-R506 CarbonylContact C-O 3.39Å; F477-R506 VanDerWaalsContact CA-O 3.3Å; F477-R506 WeakPolarHBondContact CA-O 3.26Å; E478-R506 HydrophobicContact CB-CB 4.23Å; E478-R506 PolarHBondContact N-O 2.87Å; E478-R506 PolarHBondContact O-N 3.3Å; E478-R506 IonicContact OE1-NH1 3.53Å; E478-R506 WeakPolarHBondContact OE2-CD 3.48Å; E478-R506 IonicContact OE2-CZ 3.59Å; E478-R506 IonicContact OE2-NE 2.79Å; E478-R506 IonicContact OE2-NH1 2.73Å; E478-R506 PolarHBondContact OE2-NH1 3.23Å; L480-R506 HydrophobicContact CD1-CB 4.35Å
507	K	92.5	Very high	93.1	Very high	114 Å²	114	70.2 Å²	70.2	50%	0.496	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	133.7	176.3	-178.5	166.1	176.9	164.4	0	109.8	E173 F477	E173-K507 IonicContact OE2-NZ 3.8Å; E173-K507 PolarHBondContact OE2-NZ 3.25Å; F477-K507 HydrophobicContact CD1-CB 4.34Å; F477-K507 HydrophobicContact CE1-CB 4.24Å
508	L	91.1	Very high	92.9	Very high	56 Å²	56	74.8 Å²	74.8	29%	0.293	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-76.2	144.6	172.9	-59.9	176.4	0	0	0	109.6	L474 R476 E478	L474-L508 VanDerWaalsContact O-CD1 3.3Å; L474-L508 WeakPolarHBondContact O-CD1 3.38Å; R476-L508 PolarHBondContact O-N 3.43Å; E478-L508 HydrophobicContact CB-CD2 4.12Å
509	Q	73.9	Confident	93	Very high	271 Å²	271	70.2 Å²	70.2	100%	1.266	32%	0.324	S	S	*	.			trans	-77.7	0	-179.9	-72.1	-174.4	-20.6	0	0	112.5

Retrieved 509 of 509 residues in 315.5 ms (Link to these results)

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