A0A077Z5R2_TRITR Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A077Z5R2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 280 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	45.4	Very low	39	Very low	215 Å²	215	154.5 Å²	154.5	100%	1.059	73%	0.727	S	S	*	*				0	-30.7	0	-76.7	-175.5	-173.6	0	0	115.8	F3	M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.4Å
2	R	43.9	Very low	39.3	Very low	232 Å²	232	158.6 Å²	158.6	88%	0.875	73%	0.73	S	S	*	*	H	α-helix	trans	-66.2	-28.1	-179.6	-77.1	-178.8	175.2	178.9	-1.9	115
3	F	41.8	Very low	39.3	Very low	167 Å²	167	159.6 Å²	159.6	73%	0.732	73%	0.732	S	S	*	*	H	α-helix	trans	-73.2	-35.8	-178.1	-155	-102.3	0	0	0	113.1	M1 R5 R6 L7	M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.4Å; F3-R5 PolarHBondContact O-N 3Å; F3-R6 PolarHBondContact O-N 3.45Å; F3-L7 HydrophobicContact CD1-CD1 4.34Å; F3-L7 HydrophobicContact CE1-CD1 4.43Å
4	V	46.6	Very low	40	Very low	90 Å²	90	164.1 Å²	164.1	55%	0.545	74%	0.74	S	S	.	*	H	α-helix	trans	-68.9	-32.8	179.1	-175.3	0	0	0	0	111.8	R6 L7 W8	V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 3.4Å; V4-L7 PolarHBondContact O-N 2.87Å; V4-W8 VanDerWaalsContact O-CD1 3.24Å
5	R	40.7	Very low	41.3	Very low	216 Å²	216	168.2 Å²	168.2	82%	0.815	75%	0.747	S	S	*	*	H	α-helix	trans	-68.1	-28	175.7	-76.9	-171	-179.9	-167.6	0.9	113.8	F3	F3-R5 PolarHBondContact O-N 3Å
6	R	36.7	Very low	43.7	Very low	202 Å²	202	169.6 Å²	169.6	76%	0.762	76%	0.756	S	S	*	*	H	α-helix	trans	-74.4	-35.6	176.9	-85.1	-173.4	177.2	-169.4	-0.9	112.4	F3 V4 W8 S9	F3-R6 PolarHBondContact O-N 3.45Å; V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 3.4Å; R6-W8 VanDerWaalsContact C-N 3.26Å; R6-W8 PolarHBondContact O-N 3.47Å; R6-S9 PolarHBondContact O-N 2.96Å; R6-S9 PolarHBondContact O-OG 3.36Å
7	L	29.9	Very low	46.4	Very low	107 Å²	107	161.9 Å²	161.9	56%	0.56	72%	0.72	S	S	*	*	H	α-helix	trans	-63.4	-33.4	176.2	-77.9	158	0	0	0	112.2	F3 V4 S9 A10	F3-L7 HydrophobicContact CD1-CD1 4.34Å; F3-L7 HydrophobicContact CE1-CD1 4.43Å; V4-L7 PolarHBondContact O-N 2.87Å; L7-S9 PolarHBondContact O-N 3.4Å; L7-A10 PolarHBondContact O-N 2.71Å
8	W	31.8	Very low	49	Very low	212 Å²	212	155.9 Å²	155.9	80%	0.803	70%	0.7	S	S	*	*	H	α-helix	trans	-72.5	-12.5	175.8	-75.1	46.6	0	0	0	114	V4 R6	V4-W8 VanDerWaalsContact O-CD1 3.24Å; R6-W8 VanDerWaalsContact C-N 3.26Å; R6-W8 PolarHBondContact O-N 3.47Å
9	S	37.9	Very low	51.3	Low	90 Å²	90	148.3 Å²	148.3	63%	0.629	67%	0.667	S	S	*	*	H	α-helix	trans	-88.6	-25.1	174.7	74.1	0	0	0	0	113.4	R6 L7	R6-S9 PolarHBondContact O-N 2.96Å; R6-S9 PolarHBondContact O-OG 3.36Å; L7-S9 PolarHBondContact O-N 3.4Å
10	A	36.7	Very low	53.5	Low	83 Å²	83	148.9 Å²	148.9	69%	0.686	67%	0.671	S	S	*	*	H	α-helix	trans	-85.7	-31.8	-174.8	0	0	0	0	0	112.6	L7 R12	L7-A10 PolarHBondContact O-N 2.71Å; A10-R12 PolarHBondContact O-N 3.36Å
11	T	37.9	Very low	55.4	Low	86 Å²	86	143.8 Å²	143.8	53%	0.528	65%	0.65	S	S	.	*			trans	-93.3	71.9	171.5	57.3	0	0	0	0	109.2	F13	T11-F13 PolarHBondContact O-N 3.3Å
12	R	41.8	Very low	57.8	Low	203 Å²	203	138.3 Å²	138.3	77%	0.766	63%	0.633	S	S	*	*			trans	-66.3	73.2	164.7	-171	-178.8	-174.6	-177.9	1.1	107.4	A10 R14	A10-R12 PolarHBondContact O-N 3.36Å; R12-R14 VanDerWaalsContact C-N 3.35Å; R12-R14 PolarHBondContact O-N 3.06Å
13	F	39.6	Very low	60.3	Low	172 Å²	172	130.8 Å²	130.8	75%	0.754	62%	0.615	S	S	*	*			trans	-49.3	110.5	160	-82.1	-83.9	0	0	0	104.8	T11 R15	T11-F13 PolarHBondContact O-N 3.3Å; F13-R15 PolarHBondContact O-N 3.45Å
14	R	49.9	Very low	63	Low	222 Å²	222	122.9 Å²	122.9	84%	0.838	58%	0.58	S	S	*	*			trans	-57.8	95.6	174.3	-172.1	-168.6	-62.1	-129.2	3.7	104.2	R12 E16	R12-R14 VanDerWaalsContact C-N 3.35Å; R12-R14 PolarHBondContact O-N 3.06Å; R14-E16 PolarHBondContact O-N 3.44Å
15	R	59.1	Low	65.4	Low	226 Å²	226	121.3 Å²	121.3	85%	0.853	57%	0.568	S	S	*	*			trans	-54	122.4	174.1	-77.3	-171.5	-177.1	-159.8	0.5	105.3	F13 W17	F13-R15 PolarHBondContact O-N 3.45Å; R15-W17 PolarHBondContact O-N 3.29Å; R15-W17 VanDerWaalsContact O-N 3.17Å
16	E	79.1	Confident	68.2	Low	190 Å²	190	113.8 Å²	113.8	89%	0.888	55%	0.552	S	S	*	*			trans	-53	124	172.3	-64.9	176.6	169.4	0	0	107.2	R14	R14-E16 PolarHBondContact O-N 3.44Å
17	W	90.6	Very high	71.1	Confident	40 Å²	40	105.3 Å²	105.3	15%	0.152	52%	0.523	C	S	.	.			trans	-88.1	114.9	-177.4	179	-83.7	0	0	0	108	R15 V19 L80 D82 P83 A85 R129 I131 N143	R15-W17 PolarHBondContact O-N 3.29Å; R15-W17 VanDerWaalsContact O-N 3.17Å; W17-V19 HydrophobicContact CZ2-CG2 4.38Å; W17-L80 CarbonylContact O-C 3.46Å; W17-L80 VanDerWaalsContact O-CA 3.26Å; W17-L80 WeakPolarHBondContact O-CA 3.08Å; W17-D82 HydrophobicContact CB-CB 4.23Å; W17-D82 HydrophobicContact CD2-CB 4.08Å; W17-D82 HydrophobicContact CE3-CB 3.93Å; W17-D82 HydrophobicContact CG-CB 4.2Å; W17-P83 HydrophobicContact CH2-CG 4.48Å; W17-P83 VanDerWaalsContact CZ2-CD 3.42Å; W17-P83 HydrophobicContact CZ2-CG 3.83Å; W17-A85 HydrophobicContact CH2-CB 3.5Å; W17-A85 HydrophobicContact CZ3-CB 3.47Å; W17-A85 VanDerWaalsContact CZ3-CB 3.47Å; W17-R129 HydrophobicContact CH2-CB 4.28Å; W17-R129 HydrophobicContact CH2-CG 3.89Å; W17-R129 HydrophobicContact CZ3-CG 4.39Å; W17-I131 HydrophobicContact CH2-CD1 4.38Å; W17-N143 PolarHBondContact NE1-ND2 3.45Å; W17-N143 PolarHBondContact NE1-OD1 3.41Å
18	C	92.8	Very high	74.3	Confident	53 Å²	53	100.2 Å²	100.2	36%	0.358	50%	0.497	S	S	.	.			trans	-147.7	122	170.9	-176.3	0	0	0	0	108.5	L80	C18-L80 HydrophobicContact CB-CD2 4.2Å
19	V	93.4	Very high	77.5	Confident	11 Å²	11	94 Å²	94	7%	0.067	48%	0.479	C	S	.	.			trans	-75.8	126.9	-178.9	-175.9	0	0	0	0	108.7	W17 D21 I126 C127 N142	W17-V19 HydrophobicContact CZ2-CG2 4.38Å; V19-D21 HydrophobicContact CG1-CB 3.98Å; V19-D21 PolarHBondContact O-N 3.45Å; V19-I126 HydrophobicContact CG1-CG2 4.45Å; V19-C127 HydrophobicContact CG2-CB 4.43Å; V19-N142 WeakPolarHBondContact CB-O 3.33Å; V19-N142 WeakPolarHBondContact CG2-O 3.46Å; V19-N142 PolarHBondContact O-ND2 2.7Å; V19-N142 PolarHBondContact O-OD1 2.93Å
20	Q	93.8	Very high	80.4	Confident	161 Å²	161	94 Å²	94	75%	0.752	47%	0.47	S	S	*	.			trans	-86.8	58.8	179	-60.3	-64.6	-45.3	0	0	110.2
21	D	93.1	Very high	83.3	Confident	41 Å²	41	90.7 Å²	90.7	22%	0.219	44%	0.441	C	S	.	.			trans	-107	115.9	175.6	176.9	51.5	0	0	0	109.6	V19 C23 G24 I25 I126	V19-D21 HydrophobicContact CG1-CB 3.98Å; V19-D21 PolarHBondContact O-N 3.45Å; D21-C23 VanDerWaalsContact C-N 3.26Å; D21-C23 PolarHBondContact O-N 3.38Å; D21-G24 PolarHBondContact O-N 2.84Å; D21-G24 PolarHBondContact OD2-N 2.95Å; D21-I25 VanDerWaalsContact O-CG1 3.31Å; D21-I25 WeakPolarHBondContact O-CG1 3.32Å; D21-I25 PolarHBondContact O-N 3.1Å; D21-I126 HydrophobicContact CB-CG2 3.74Å
22	S	96.6	Very high	86.2	Confident	101 Å²	101	90.7 Å²	90.7	71%	0.706	43%	0.431	S	S	*	.	H	α-helix	trans	-60.5	-37	-175.8	-53.8	0	0	0	0	112.4	A26	S22-A26 WeakPolarHBondContact O-CB 3.37Å; S22-A26 PolarHBondContact O-N 3.31Å
23	C	97.2	Very high	88.9	Confident	74 Å²	74	85.7 Å²	85.7	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-65.4	-51.5	177.1	-176.3	0	0	0	0	110.8	D21 I25 A26 C27	D21-C23 VanDerWaalsContact C-N 3.26Å; D21-C23 PolarHBondContact O-N 3.38Å; C23-I25 PolarHBondContact O-N 3.21Å; C23-A26 WeakPolarHBondContact O-CB 3.4Å; C23-A26 PolarHBondContact O-N 2.8Å; C23-A26 VanDerWaalsContact O-N 3.16Å; C23-C27 PolarHBondContact O-N 3.31Å; C23-C27 PolarHBondContact O-SG 2.92Å; C23-C27 VanDerWaalsContact O-SG 3.38Å
24	G	97.5	Very high	91.7	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-59.4	-41.7	176.9	0	0	0	0	0	113.3	D21 A26 C27 A28 P139 N142	D21-G24 PolarHBondContact O-N 2.84Å; D21-G24 PolarHBondContact OD2-N 2.95Å; G24-A26 PolarHBondContact O-N 2.93Å; G24-C27 PolarHBondContact O-N 2.85Å; G24-A28 WeakPolarHBondContact O-CB 3.43Å; G24-A28 PolarHBondContact O-N 3.4Å; G24-P139 WeakPolarHBondContact CA-O 3.21Å; G24-N142 WeakPolarHBondContact CA-OD1 3.43Å
25	I	97.7	Very high	94	Very high	58 Å²	58	69.7 Å²	69.7	30%	0.297	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-45.1	174.7	-67.5	168	0	0	0	110.7	D21 C23 C27 A28 I29 N142	D21-I25 VanDerWaalsContact O-CG1 3.31Å; D21-I25 WeakPolarHBondContact O-CG1 3.32Å; D21-I25 PolarHBondContact O-N 3.1Å; C23-I25 PolarHBondContact O-N 3.21Å; I25-C27 PolarHBondContact O-N 3.34Å; I25-A28 PolarHBondContact O-N 2.78Å; I25-I29 HydrophobicContact CG2-CD1 3.93Å; I25-I29 WeakPolarHBondContact O-CG1 3.33Å; I25-I29 PolarHBondContact O-N 3.15Å; I25-N142 WeakPolarHBondContact CG1-ND2 3.29Å
26	A	98.3	Very high	95.9	Very high	57 Å²	57	61.7 Å²	61.7	47%	0.471	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-42	176.7	0	0	0	0	0	112.1	S22 C23 G24 I29 M30	S22-A26 WeakPolarHBondContact O-CB 3.37Å; S22-A26 PolarHBondContact O-N 3.31Å; C23-A26 WeakPolarHBondContact O-CB 3.4Å; C23-A26 PolarHBondContact O-N 2.8Å; C23-A26 VanDerWaalsContact O-N 3.16Å; G24-A26 PolarHBondContact O-N 2.93Å; A26-I29 PolarHBondContact O-N 3.33Å; A26-M30 WeakPolarHBondContact O-CB 3.4Å; A26-M30 PolarHBondContact O-N 3.25Å
27	C	98.4	Very high	96.8	Very high	24 Å²	24	55 Å²	55	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-37.4	175.4	-68.4	0	0	0	0	112.9	C23 G24 I25 M30 T31 P139 W140	C23-C27 PolarHBondContact O-N 3.31Å; C23-C27 PolarHBondContact O-SG 2.92Å; C23-C27 VanDerWaalsContact O-SG 3.38Å; G24-C27 PolarHBondContact O-N 2.85Å; I25-C27 PolarHBondContact O-N 3.34Å; C27-M30 PolarHBondContact O-N 3.49Å; C27-T31 PolarHBondContact O-N 3.31Å; C27-T31 PolarHBondContact O-OG1 2.83Å; C27-P139 HydrophobicContact CB-CB 4.19Å; C27-P139 WeakPolarHBondContact CB-O 3.27Å; C27-W140 HydrophobicContact CB-CD2 4.27Å; C27-W140 HydrophobicContact CB-CE3 4.04Å
28	A	97.8	Very high	97.1	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-44.5	174.9	0	0	0	0	0	111.4	G24 I25 M30 T31 W32 M79 N142	G24-A28 WeakPolarHBondContact O-CB 3.43Å; G24-A28 PolarHBondContact O-N 3.4Å; I25-A28 PolarHBondContact O-N 2.78Å; A28-M30 VanDerWaalsContact C-N 3.34Å; A28-M30 PolarHBondContact O-N 3.1Å; A28-T31 VanDerWaalsContact O-CB 3.31Å; A28-T31 WeakPolarHBondContact O-CB 3.39Å; A28-T31 PolarHBondContact O-N 2.74Å; A28-W32 PolarHBondContact O-N 3.09Å; A28-W32 VanDerWaalsContact O-N 3.13Å; A28-M79 HydrophobicContact CB-CE 4.17Å; A28-M79 HydrophobicContact CB-SD 4.1Å; A28-N142 HydrophobicContact CB-CB 4.46Å
29	I	98.1	Very high	97.4	Very high	81 Å²	81	53.2 Å²	53.2	42%	0.415	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-43.7	174.3	-68	167.8	0	0	0	110.6	I25 A26 T31 W32 I33	I25-I29 HydrophobicContact CG2-CD1 3.93Å; I25-I29 WeakPolarHBondContact O-CG1 3.33Å; I25-I29 PolarHBondContact O-N 3.15Å; A26-I29 PolarHBondContact O-N 3.33Å; I29-T31 VanDerWaalsContact C-N 3.29Å; I29-T31 PolarHBondContact O-N 3.23Å; I29-W32 HydrophobicContact CG1-CE3 4.36Å; I29-W32 HydrophobicContact CG1-CZ3 4.32Å; I29-W32 PolarHBondContact O-N 3.37Å; I29-I33 HydrophobicContact CG2-CD1 3.98Å; I29-I33 HydrophobicContact CG2-CG1 4.42Å; I29-I33 WeakPolarHBondContact O-CG1 3.26Å; I29-I33 PolarHBondContact O-N 3.04Å
30	M	98.2	Very high	97.6	Very high	91 Å²	91	56.9 Å²	56.9	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-58.9	-41.4	175.9	-172.6	64.8	70.2	0	0	111.7	A26 C27 A28 W32 I33 L34 W140	A26-M30 WeakPolarHBondContact O-CB 3.4Å; A26-M30 PolarHBondContact O-N 3.25Å; C27-M30 PolarHBondContact O-N 3.49Å; A28-M30 VanDerWaalsContact C-N 3.34Å; A28-M30 PolarHBondContact O-N 3.1Å; M30-W32 VanDerWaalsContact C-N 3.27Å; M30-W32 PolarHBondContact O-N 3.45Å; M30-I33 PolarHBondContact O-N 3.36Å; M30-L34 HydrophobicContact CG-CD1 4.31Å; M30-L34 WeakPolarHBondContact O-CG 3.46Å; M30-L34 PolarHBondContact O-N 3.06Å; M30-W140 HydrophobicContact CB-CZ3 4.2Å; M30-W140 HydrophobicContact CG-CZ3 4.04Å
31	T	98.2	Very high	97.7	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.08	28%	0.277	C	S	.	.	H	α-helix	trans	-57	-43	174.3	-54.7	0	0	0	0	111	C27 A28 I29 L34 L35 W140 F156	C27-T31 PolarHBondContact O-N 3.31Å; C27-T31 PolarHBondContact O-OG1 2.83Å; A28-T31 VanDerWaalsContact O-CB 3.31Å; A28-T31 WeakPolarHBondContact O-CB 3.39Å; A28-T31 PolarHBondContact O-N 2.74Å; I29-T31 VanDerWaalsContact C-N 3.29Å; I29-T31 PolarHBondContact O-N 3.23Å; T31-L34 PolarHBondContact O-N 3.39Å; T31-L35 WeakPolarHBondContact O-CG 3.08Å; T31-L35 PolarHBondContact O-N 3.47Å; T31-L35 VanDerWaalsContact O-N 3.1Å; T31-W140 PolarHBondContact OG1-O 3.31Å; T31-F156 HydrophobicContact CG2-CE2 4.5Å; T31-F156 HydrophobicContact CG2-CZ 4.06Å
32	W	98.5	Very high	97.8	Very high	86 Å²	86	47.2 Å²	47.2	33%	0.326	27%	0.266	S	S	.	.	H	α-helix	trans	-71	-33.8	178.4	-56.2	-22.2	0	0	0	113.1	A28 I29 M30 L35 A36 F72 H75 L76 M79	A28-W32 PolarHBondContact O-N 3.09Å; A28-W32 VanDerWaalsContact O-N 3.13Å; I29-W32 HydrophobicContact CG1-CE3 4.36Å; I29-W32 HydrophobicContact CG1-CZ3 4.32Å; I29-W32 PolarHBondContact O-N 3.37Å; M30-W32 VanDerWaalsContact C-N 3.27Å; M30-W32 PolarHBondContact O-N 3.45Å; W32-L35 PolarHBondContact O-N 2.96Å; W32-A36 VanDerWaalsContact O-CB 3.25Å; W32-A36 WeakPolarHBondContact O-CB 3.32Å; W32-A36 PolarHBondContact O-N 2.81Å; W32-F72 AromaticContact CD1-CE2 3.63Å; W32-F72 HydrophobicContact CD2-CE2 4.36Å; W32-F72 HydrophobicContact CG-CE2 4.07Å; W32-F72 AromaticContact NE1-CE2 3.65Å; W32-H75 AromaticContact CD1-ND1 3.99Å; W32-H75 AromaticContact CE2-CE1 3.96Å; W32-H75 AromaticContact CE2-ND1 3.99Å; W32-H75 AromaticContact NE1-CE1 3.24Å; W32-H75 PolarHBondContact NE1-CE1 3.06Å; W32-H75 AromaticContact NE1-ND1 3.08Å; W32-H75 PolarHBondContact NE1-ND1 2.99Å; W32-L76 HydrophobicContact CZ2-CD2 3.79Å; W32-M79 HydrophobicContact CH2-SD 4.48Å; W32-M79 HydrophobicContact CZ2-SD 4.03Å
33	I	98.6	Very high	97.7	Very high	97 Å²	97	46 Å²	46	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-43.1	173.7	-70	169.6	0	0	0	110.7	I29 M30 A36 F37	I29-I33 HydrophobicContact CG2-CD1 3.98Å; I29-I33 HydrophobicContact CG2-CG1 4.42Å; I29-I33 WeakPolarHBondContact O-CG1 3.26Å; I29-I33 PolarHBondContact O-N 3.04Å; M30-I33 PolarHBondContact O-N 3.36Å; I33-A36 PolarHBondContact O-N 2.85Å; I33-F37 PolarHBondContact O-N 3.15Å
34	L	98.5	Very high	97.5	Very high	39 Å²	39	44 Å²	44	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-47.7	176.9	-68.1	163.1	0	0	0	111.4	M30 T31 A36 F37 G38 E204 F208	M30-L34 HydrophobicContact CG-CD1 4.31Å; M30-L34 WeakPolarHBondContact O-CG 3.46Å; M30-L34 PolarHBondContact O-N 3.06Å; T31-L34 PolarHBondContact O-N 3.39Å; L34-A36 VanDerWaalsContact C-N 3.29Å; L34-A36 PolarHBondContact O-N 3.27Å; L34-F37 WeakPolarHBondContact O-CB 3.39Å; L34-F37 PolarHBondContact O-N 2.88Å; L34-F37 VanDerWaalsContact O-N 3.12Å; L34-G38 PolarHBondContact O-N 3.19Å; L34-E204 HydrophobicContact CD2-CG 4.48Å; L34-F208 HydrophobicContact CD1-CE2 3.74Å; L34-F208 HydrophobicContact CD1-CZ 3.47Å; L34-F208 VanDerWaalsContact CD1-CZ 3.47Å; L34-F208 HydrophobicContact CD2-CE2 4.15Å; L34-F208 HydrophobicContact CG-CE2 4.41Å
35	L	98.5	Very high	97.3	Very high	20 Å²	20	44.1 Å²	44.1	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-40.7	173.7	-69.4	178.1	0	0	0	112.5	T31 W32 G38 E39 L68 F72 I160 L163	T31-L35 WeakPolarHBondContact O-CG 3.08Å; T31-L35 PolarHBondContact O-N 3.47Å; T31-L35 VanDerWaalsContact O-N 3.1Å; W32-L35 PolarHBondContact O-N 2.96Å; L35-G38 PolarHBondContact O-N 3.29Å; L35-E39 PolarHBondContact O-N 2.88Å; L35-L68 HydrophobicContact CB-CD1 4.04Å; L35-L68 HydrophobicContact CD2-CD1 3.95Å; L35-L68 HydrophobicContact CG-CD1 4.38Å; L35-F72 HydrophobicContact CD1-CD2 4.28Å; L35-I160 HydrophobicContact CD2-CD1 3.74Å; L35-L163 HydrophobicContact CD2-CD2 3.91Å
36	A	98.4	Very high	97.1	Very high	58 Å²	58	41.4 Å²	41.4	48%	0.479	23%	0.226	S	C	.	.	H	α-helix	trans	-67.5	-33.7	177	0	0	0	0	0	112.6	W32 I33 L34 E39 F40	W32-A36 VanDerWaalsContact O-CB 3.25Å; W32-A36 WeakPolarHBondContact O-CB 3.32Å; W32-A36 PolarHBondContact O-N 2.81Å; I33-A36 PolarHBondContact O-N 2.85Å; L34-A36 VanDerWaalsContact C-N 3.29Å; L34-A36 PolarHBondContact O-N 3.27Å; A36-E39 PolarHBondContact O-N 2.76Å; A36-F40 WeakPolarHBondContact O-CB 3.28Å; A36-F40 PolarHBondContact O-N 3.1Å
37	F	98.4	Very high	96.7	Very high	49 Å²	49	41.5 Å²	41.5	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-43.5	172.2	171.6	-99.6	0	0	0	111.5	I33 L34 E39 F40 A41 V200 L201 E204	I33-F37 PolarHBondContact O-N 3.15Å; L34-F37 WeakPolarHBondContact O-CB 3.39Å; L34-F37 PolarHBondContact O-N 2.88Å; L34-F37 VanDerWaalsContact O-N 3.12Å; F37-E39 VanDerWaalsContact C-N 3.33Å; F37-E39 PolarHBondContact O-N 3.32Å; F37-F40 HydrophobicContact CD2-CD1 4.34Å; F37-F40 HydrophobicContact CE2-CD1 4.44Å; F37-F40 WeakPolarHBondContact O-CB 3.15Å; F37-F40 PolarHBondContact O-N 3.5Å; F37-A41 WeakPolarHBondContact O-CB 3.41Å; F37-A41 PolarHBondContact O-N 2.98Å; F37-V200 HydrophobicContact CE1-CB 4.31Å; F37-V200 HydrophobicContact CE1-CG1 3.68Å; F37-V200 HydrophobicContact CE2-CG1 4.29Å; F37-V200 HydrophobicContact CZ-CB 3.84Å; F37-V200 HydrophobicContact CZ-CG1 3.48Å; F37-V200 VanDerWaalsContact CZ-CG1 3.48Å; F37-L201 HydrophobicContact CE1-CB 4.16Å; F37-L201 HydrophobicContact CE1-CD1 4.39Å; F37-E204 WeakPolarHBondContact CD1-OE2 3.42Å
38	G	98.1	Very high	96	Very high	6 Å²	6	41 Å²	41	6%	0.062	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-46.8	173.1	0	0	0	0	0	112.3	L34 L35 A41 V42	L34-G38 PolarHBondContact O-N 3.19Å; L35-G38 PolarHBondContact O-N 3.29Å; G38-A41 PolarHBondContact O-N 3.27Å; G38-V42 WeakPolarHBondContact O-CG2 3.34Å; G38-V42 PolarHBondContact O-N 3.47Å
39	E	97.7	Very high	94.7	Very high	49 Å²	49	48.6 Å²	48.6	23%	0.229	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-46.9	174.5	177.6	61.8	-169.6	0	0	112.2	L35 A36 F37 A41 V42 V43 F64 H65 L68	L35-E39 PolarHBondContact O-N 2.88Å; A36-E39 PolarHBondContact O-N 2.76Å; F37-E39 VanDerWaalsContact C-N 3.33Å; F37-E39 PolarHBondContact O-N 3.32Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 2.8Å; E39-V42 PolarHBondContact O-N 2.77Å; E39-V43 HydrophobicContact CG-CG2 4.44Å; E39-V43 WeakPolarHBondContact O-CG2 3.11Å; E39-V43 PolarHBondContact O-N 3.4Å; E39-V43 VanDerWaalsContact OE1-CG2 3.27Å; E39-V43 WeakPolarHBondContact OE1-CG2 3.31Å; E39-F64 VanDerWaalsContact OE2-CE1 3.3Å; E39-F64 WeakPolarHBondContact OE2-CE1 3.5Å; E39-H65 IonicContact OE1-CD2 2.95Å; E39-H65 IonicContact OE1-NE2 3.63Å; E39-H65 PolarHBondContact OE1-NE2 2.97Å; E39-H65 IonicContact OE2-NE2 3.77Å; E39-L68 HydrophobicContact CB-CD2 4.14Å; E39-L68 HydrophobicContact CG-CD2 4.37Å; E39-L68 WeakPolarHBondContact OE2-CD2 3.29Å
40	F	97.4	Very high	93.3	Very high	88 Å²	88	47.9 Å²	47.9	39%	0.386	25%	0.247	S	C	.	.	H	α-helix	trans	-55.9	-47.9	175.6	166.3	-95.2	0	0	0	111.6	A36 F37 V42 V43 T44 F189 V197	A36-F40 WeakPolarHBondContact O-CB 3.28Å; A36-F40 PolarHBondContact O-N 3.1Å; F37-F40 HydrophobicContact CD2-CD1 4.34Å; F37-F40 HydrophobicContact CE2-CD1 4.44Å; F37-F40 WeakPolarHBondContact O-CB 3.15Å; F37-F40 PolarHBondContact O-N 3.5Å; F40-V42 VanDerWaalsContact C-N 3.34Å; F40-V42 PolarHBondContact O-N 2.63Å; F40-V43 PolarHBondContact O-N 3.16Å; F40-T44 HydrophobicContact CD2-CG2 3.83Å; F40-T44 HydrophobicContact CE2-CG2 3.71Å; F40-T44 HydrophobicContact CZ-CG2 4.31Å; F40-T44 WeakPolarHBondContact O-CB 3.02Å; F40-T44 WeakPolarHBondContact O-CG2 3.31Å; F40-T44 PolarHBondContact O-N 3.19Å; F40-T44 PolarHBondContact O-OG1 3.47Å; F40-F189 HydrophobicContact CE2-CZ 4.29Å; F40-F189 HydrophobicContact CZ-CE2 4.05Å; F40-F189 AromaticContact CZ-CZ 3.86Å; F40-F189 HydrophobicContact CZ-CZ 3.86Å; F40-V197 HydrophobicContact CE1-CG2 4.25Å
41	A	96.8	Very high	91.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-39	179.9	0	0	0	0	0	111.8	F37 G38 E39 V45 L46 V197 L201	F37-A41 WeakPolarHBondContact O-CB 3.41Å; F37-A41 PolarHBondContact O-N 2.98Å; G38-A41 PolarHBondContact O-N 3.27Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 2.8Å; A41-V45 WeakPolarHBondContact O-CA 3.1Å; A41-V45 WeakPolarHBondContact O-CB 3.48Å; A41-V45 PolarHBondContact O-N 3.2Å; A41-L46 PolarHBondContact O-N 2.96Å; A41-L46 VanDerWaalsContact O-N 3.11Å; A41-V197 HydrophobicContact CB-CG1 3.65Å; A41-L201 HydrophobicContact CB-CB 4.4Å; A41-L201 HydrophobicContact CB-CD1 4.23Å; A41-L201 HydrophobicContact CB-CD2 3.87Å; A41-L201 HydrophobicContact CB-CG 4.39Å
42	V	94.8	Very high	90.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-63	-54.6	175.4	166.4	0	0	0	0	111.3	G38 E39 F40 T44 L46 I47 F64 W170	G38-V42 WeakPolarHBondContact O-CG2 3.34Å; G38-V42 PolarHBondContact O-N 3.47Å; E39-V42 PolarHBondContact O-N 2.77Å; F40-V42 VanDerWaalsContact C-N 3.34Å; F40-V42 PolarHBondContact O-N 2.63Å; V42-T44 PolarHBondContact O-N 2.96Å; V42-L46 HydrophobicContact CG2-CD1 3.8Å; V42-L46 PolarHBondContact O-N 2.97Å; V42-I47 HydrophobicContact CG1-CD1 3.7Å; V42-I47 HydrophobicContact CG1-CG1 3.94Å; V42-I47 WeakPolarHBondContact O-CB 3.45Å; V42-I47 WeakPolarHBondContact O-CG1 3.32Å; V42-I47 PolarHBondContact O-N 3.42Å; V42-F64 HydrophobicContact CB-CD1 4.19Å; V42-F64 HydrophobicContact CB-CE1 4.11Å; V42-F64 HydrophobicContact CB-CZ 4.42Å; V42-F64 HydrophobicContact CG1-CD1 3.99Å; V42-F64 HydrophobicContact CG1-CE1 4.39Å; V42-F64 HydrophobicContact CG1-CG 4.3Å; V42-F64 HydrophobicContact CG2-CD1 3.83Å; V42-F64 HydrophobicContact CG2-CD2 3.74Å; V42-F64 HydrophobicContact CG2-CE1 3.71Å; V42-F64 HydrophobicContact CG2-CE2 3.61Å; V42-F64 HydrophobicContact CG2-CG 3.85Å; V42-F64 HydrophobicContact CG2-CZ 3.6Å; V42-W170 HydrophobicContact CG1-CH2 3.98Å; V42-W170 HydrophobicContact CG1-CZ3 3.7Å; V42-W170 HydrophobicContact CG2-CE3 4.41Å; V42-W170 HydrophobicContact CG2-CZ3 4.22Å
43	V	94	Very high	89.8	Confident	74 Å²	74	44.1 Å²	44.1	45%	0.448	25%	0.247	S	C	.	.	I	π-helix	trans	-64.6	-41.7	-174.9	170.6	0	0	0	0	111.7	E39 F40	E39-V43 HydrophobicContact CG-CG2 4.44Å; E39-V43 WeakPolarHBondContact O-CG2 3.11Å; E39-V43 PolarHBondContact O-N 3.4Å; E39-V43 VanDerWaalsContact OE1-CG2 3.27Å; E39-V43 WeakPolarHBondContact OE1-CG2 3.31Å; F40-V43 PolarHBondContact O-N 3.16Å
44	T	92.8	Very high	89.3	Confident	34 Å²	34	45.3 Å²	45.3	21%	0.209	25%	0.252	C	S	.	.	I	π-helix	trans	-90.9	-30.8	-171.2	63.7	0	0	0	0	114.1	F40 V42 F189	F40-T44 HydrophobicContact CD2-CG2 3.83Å; F40-T44 HydrophobicContact CE2-CG2 3.71Å; F40-T44 HydrophobicContact CZ-CG2 4.31Å; F40-T44 WeakPolarHBondContact O-CB 3.02Å; F40-T44 WeakPolarHBondContact O-CG2 3.31Å; F40-T44 PolarHBondContact O-N 3.19Å; F40-T44 PolarHBondContact O-OG1 3.47Å; V42-T44 PolarHBondContact O-N 2.96Å; T44-F189 HydrophobicContact CG2-CE2 4.26Å; T44-F189 HydrophobicContact CG2-CZ 4.41Å
45	V	93.8	Very high	89	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.269	C	S	.	.	I	π-helix	trans	-113.7	-55.1	-175.7	176.8	0	0	0	0	112.1	A41 S48 K174 F189 T194 V197 L198	A41-V45 WeakPolarHBondContact O-CA 3.1Å; A41-V45 WeakPolarHBondContact O-CB 3.48Å; A41-V45 PolarHBondContact O-N 3.2Å; V45-S48 WeakPolarHBondContact O-CB 3.38Å; V45-S48 PolarHBondContact O-N 3.28Å; V45-K174 HydrophobicContact CG1-CG 4.38Å; V45-K174 WeakPolarHBondContact O-CE 3.45Å; V45-F189 HydrophobicContact CG2-CD2 4.1Å; V45-F189 HydrophobicContact CG2-CE2 4.4Å; V45-T194 HydrophobicContact CG1-CG2 3.65Å; V45-T194 HydrophobicContact CG2-CG2 4.34Å; V45-V197 HydrophobicContact CG2-CB 4.28Å; V45-V197 HydrophobicContact CG2-CG1 3.9Å; V45-L198 HydrophobicContact CG1-CD1 4.45Å; V45-L198 HydrophobicContact CG1-CD2 3.86Å; V45-L198 HydrophobicContact CG1-CG 4.04Å
46	L	93.3	Very high	88.7	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.272	C	S	.	.	I	π-helix	trans	-73.7	-40.9	-169.5	-57.7	-178	0	0	0	113.2	A41 V42 S48 W170 K174 L198 L201	A41-L46 PolarHBondContact O-N 2.96Å; A41-L46 VanDerWaalsContact O-N 3.11Å; V42-L46 HydrophobicContact CG2-CD1 3.8Å; V42-L46 PolarHBondContact O-N 2.97Å; L46-S48 VanDerWaalsContact C-N 3.31Å; L46-W170 HydrophobicContact CB-CD2 3.79Å; L46-W170 HydrophobicContact CB-CE3 4.21Å; L46-W170 HydrophobicContact CB-CG 4.26Å; L46-W170 HydrophobicContact CB-CH2 4.25Å; L46-W170 HydrophobicContact CB-CZ2 3.82Å; L46-W170 HydrophobicContact CB-CZ3 4.42Å; L46-W170 HydrophobicContact CD1-CB 4.11Å; L46-W170 HydrophobicContact CD1-CD2 3.81Å; L46-W170 HydrophobicContact CD1-CE3 3.9Å; L46-W170 HydrophobicContact CD1-CG 3.9Å; L46-W170 HydrophobicContact CD2-CG 4.48Å; L46-W170 HydrophobicContact CG-CD2 4.35Å; L46-W170 HydrophobicContact CG-CG 4.46Å; L46-K174 HydrophobicContact CD2-CB 3.56Å; L46-K174 HydrophobicContact CD2-CG 3.84Å; L46-L198 HydrophobicContact CD2-CD2 3.62Å; L46-L201 HydrophobicContact CD1-CD2 3.81Å; L46-L201 HydrophobicContact CG-CD2 4.48Å
47	I	91.2	Very high	88.5	Confident	60 Å²	60	46.8 Å²	46.8	31%	0.308	25%	0.252	S	S	.	.	S	Bend	trans	-73.3	-25.3	175.7	-71.5	177.3	0	0	0	111.6	V42 Y49 W170	V42-I47 HydrophobicContact CG1-CD1 3.7Å; V42-I47 HydrophobicContact CG1-CG1 3.94Å; V42-I47 WeakPolarHBondContact O-CB 3.45Å; V42-I47 WeakPolarHBondContact O-CG1 3.32Å; V42-I47 PolarHBondContact O-N 3.42Å; I47-Y49 PolarHBondContact O-N 3.48Å; I47-W170 HydrophobicContact CD1-CH2 4.31Å; I47-W170 HydrophobicContact CG1-CH2 3.53Å; I47-W170 HydrophobicContact CG1-CZ2 3.96Å
48	S	82.2	Confident	88.2	Confident	14 Å²	14	50.9 Å²	50.9	10%	0.098	27%	0.27	C	S	.	.			trans	-50.5	115.7	-175.1	-170.8	0	0	0	0	111.1	V45 L46 S50 K174	V45-S48 WeakPolarHBondContact O-CB 3.38Å; V45-S48 PolarHBondContact O-N 3.28Å; L46-S48 VanDerWaalsContact C-N 3.31Å; S48-S50 PolarHBondContact O-N 3.16Å; S48-S50 VanDerWaalsContact O-N 3.14Å; S48-K174 PolarHBondContact O-NZ 2.95Å; S48-K174 VanDerWaalsContact O-NZ 3.07Å
49	Y	71.6	Confident	88.1	Confident	159 Å²	159	54.5 Å²	54.5	62%	0.624	29%	0.287	S	S	*	.			trans	-65.3	-19.9	-165.2	170.8	-103.9	0	0	0	114	I47 S51 G52 I54	I47-Y49 PolarHBondContact O-N 3.48Å; Y49-S51 PolarHBondContact O-N 3.2Å; Y49-G52 PolarHBondContact O-N 2.92Å; Y49-I54 HydrophobicContact CD2-CB 4.36Å; Y49-I54 HydrophobicContact CD2-CD1 4.49Å; Y49-I54 HydrophobicContact CD2-CG1 4.33Å; Y49-I54 HydrophobicContact CE2-CB 4.03Å; Y49-I54 HydrophobicContact CE2-CD1 4.3Å; Y49-I54 HydrophobicContact CE2-CG1 4.32Å
50	S	67.6	Low	88	Confident	66 Å²	66	53.7 Å²	53.7	46%	0.462	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	6	-160	-169.3	0	0	0	0	116	S48 G185	S48-S50 PolarHBondContact O-N 3.16Å; S48-S50 VanDerWaalsContact O-N 3.14Å; S50-G185 CarbonylContact C-O 3.47Å; S50-G185 WeakPolarHBondContact CB-O 3.36Å; S50-G185 VanDerWaalsContact O-O 3.1Å; S50-G185 PolarHBondContact OG-O 3.28Å
51	S	62.6	Low	88	Confident	27 Å²	27	49.8 Å²	49.8	19%	0.189	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-156.7	-4.9	-176.1	41	0	0	0	0	117.7	Y49 K174 L177 M181	Y49-S51 PolarHBondContact O-N 3.2Å; S51-K174 PolarHBondContact OG-NZ 3.31Å; S51-L177 WeakPolarHBondContact O-CD1 3.41Å; S51-L177 WeakPolarHBondContact O-CD2 3.43Å; S51-M181 WeakPolarHBondContact CB-SD 3.47Å
52	G	73.9	Confident	88	Confident	18 Å²	18	53.5 Å²	53.5	19%	0.186	29%	0.287	C	S	.	.	S	Bend	trans	-122.3	170.9	-165.8	0	0	0	0	0	115.3	Y49 I54	Y49-G52 PolarHBondContact O-N 2.92Å; G52-I54 PolarHBondContact O-N 3.35Å
53	S	85.9	Confident	88.2	Confident	67 Å²	67	56.2 Å²	56.2	47%	0.469	30%	0.303	S	S	.	.			trans	-66	122.9	165.6	168.8	0	0	0	0	109.8	L55 H56 S57	S53-L55 PolarHBondContact O-N 2.76Å; S53-L55 PolarHBondContact OG-N 2.62Å; S53-H56 WeakPolarHBondContact O-CB 3.14Å; S53-H56 PolarHBondContact O-N 3.18Å; S53-H56 VanDerWaalsContact O-N 3.1Å; S53-H56 PolarHBondContact OG-N 3.11Å; S53-S57 PolarHBondContact O-N 3.33Å
54	I	88.6	Confident	88.4	Confident	121 Å²	121	52.9 Å²	52.9	62%	0.621	28%	0.283	S	S	*	.	H	α-helix	trans	-56.4	-38.1	177.8	-162	166.4	0	0	0	111.8	Y49 G52 F58	Y49-I54 HydrophobicContact CD2-CB 4.36Å; Y49-I54 HydrophobicContact CD2-CD1 4.49Å; Y49-I54 HydrophobicContact CD2-CG1 4.33Å; Y49-I54 HydrophobicContact CE2-CB 4.03Å; Y49-I54 HydrophobicContact CE2-CD1 4.3Å; Y49-I54 HydrophobicContact CE2-CG1 4.32Å; G52-I54 PolarHBondContact O-N 3.35Å; I54-F58 VanDerWaalsContact O-CB 3.23Å; I54-F58 WeakPolarHBondContact O-CB 3.43Å; I54-F58 PolarHBondContact O-N 3Å
55	L	91.8	Very high	88.6	Confident	107 Å²	107	55 Å²	55	56%	0.56	29%	0.29	S	S	*	.	H	α-helix	trans	-68.8	-40.3	-179.8	-178.2	61.5	0	0	0	111.1	S53 F58 I59	S53-L55 PolarHBondContact O-N 2.76Å; S53-L55 PolarHBondContact OG-N 2.62Å; L55-F58 PolarHBondContact O-N 3.27Å; L55-I59 HydrophobicContact CD1-CD1 3.81Å; L55-I59 HydrophobicContact CD1-CG1 4.13Å; L55-I59 HydrophobicContact CG-CD1 3.8Å; L55-I59 HydrophobicContact CG-CG1 4.48Å; L55-I59 WeakPolarHBondContact O-CB 3.27Å; L55-I59 VanDerWaalsContact O-CG1 3.24Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.92Å
56	H	92.9	Very high	88.9	Confident	32 Å²	32	59.5 Å²	59.5	15%	0.148	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-53.2	175.8	178.7	-81.7	0	0	0	110.7	S53 F58 I59 H60 Y169 W173	S53-H56 WeakPolarHBondContact O-CB 3.14Å; S53-H56 PolarHBondContact O-N 3.18Å; S53-H56 VanDerWaalsContact O-N 3.1Å; S53-H56 PolarHBondContact OG-N 3.11Å; H56-F58 VanDerWaalsContact C-N 3.28Å; H56-F58 PolarHBondContact O-N 2.81Å; H56-I59 PolarHBondContact O-N 3.25Å; H56-H60 AromaticContact CD2-CD2 3.52Å; H56-H60 AromaticContact CD2-NE2 3.63Å; H56-H60 AromaticContact CE1-CD2 3.4Å; H56-H60 PolarHBondContact CE1-CD2 3.06Å; H56-H60 AromaticContact CE1-NE2 3.87Å; H56-H60 AromaticContact CG-CD2 3.78Å; H56-H60 AromaticContact ND1-CD2 3.72Å; H56-H60 AromaticContact NE2-CD2 3.27Å; H56-H60 PolarHBondContact NE2-CD2 3.17Å; H56-H60 VanDerWaalsContact NE2-CD2 3.27Å; H56-H60 AromaticContact NE2-NE2 3.29Å; H56-H60 PolarHBondContact NE2-NE2 3.32Å; H56-H60 PolarHBondContact O-CD2 3.03Å; H56-H60 VanDerWaalsContact O-CD2 3.27Å; H56-H60 PolarHBondContact O-N 2.89Å; H56-Y169 AromaticContact NE2-CE1 3.88Å; H56-Y169 AromaticContact NE2-CZ 3.85Å; H56-Y169 PolarHBondContact NE2-OH 3.45Å; H56-W173 AromaticContact CE1-CD2 3.57Å; H56-W173 AromaticContact CE1-CE2 3.74Å; H56-W173 AromaticContact CE1-CE3 3.66Å; H56-W173 AromaticContact CE1-CZ2 3.98Å; H56-W173 AromaticContact CE1-CZ3 3.88Å; H56-W173 AromaticContact ND1-CH2 3.63Å; H56-W173 AromaticContact ND1-CZ2 3.81Å; H56-W173 AromaticContact ND1-CZ3 3.76Å
57	S	92.8	Very high	89.1	Confident	9 Å²	9	60.5 Å²	60.5	6%	0.063	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-38.5	178.3	-63.2	0	0	0	0	112.5	S53 G61	S53-S57 PolarHBondContact O-N 3.33Å; S57-G61 WeakPolarHBondContact O-CA 3.48Å; S57-G61 PolarHBondContact O-N 2.73Å
58	F	93.5	Very high	89.5	Confident	136 Å²	136	59 Å²	59	60%	0.596	31%	0.311	S	S	*	.	H	α-helix	trans	-67.2	-48	178.2	-175	-105.3	0	0	0	112.5	I54 L55 H56 G61 I62	I54-F58 VanDerWaalsContact O-CB 3.23Å; I54-F58 WeakPolarHBondContact O-CB 3.43Å; I54-F58 PolarHBondContact O-N 3Å; L55-F58 PolarHBondContact O-N 3.27Å; H56-F58 VanDerWaalsContact C-N 3.28Å; H56-F58 PolarHBondContact O-N 2.81Å; F58-G61 PolarHBondContact O-N 3.49Å; F58-I62 HydrophobicContact CD1-CD1 3.87Å; F58-I62 HydrophobicContact CE1-CD1 3.37Å; F58-I62 HydrophobicContact CE2-CD1 4.19Å; F58-I62 HydrophobicContact CG-CD1 4.48Å; F58-I62 HydrophobicContact CZ-CD1 3.56Å; F58-I62 HydrophobicContact CZ-CG1 4.5Å; F58-I62 WeakPolarHBondContact O-CG1 3.31Å; F58-I62 PolarHBondContact O-N 2.78Å
59	I	95.3	Very high	90.2	Very high	82 Å²	82	64 Å²	64	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-50.3	178.6	-69.9	168.9	0	0	0	110.4	L55 H56 G61 I62 V63	L55-I59 HydrophobicContact CD1-CD1 3.81Å; L55-I59 HydrophobicContact CD1-CG1 4.13Å; L55-I59 HydrophobicContact CG-CD1 3.8Å; L55-I59 HydrophobicContact CG-CG1 4.48Å; L55-I59 WeakPolarHBondContact O-CB 3.27Å; L55-I59 VanDerWaalsContact O-CG1 3.24Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.92Å; H56-I59 PolarHBondContact O-N 3.25Å; I59-G61 VanDerWaalsContact C-N 3.3Å; I59-G61 PolarHBondContact O-N 3.49Å; I59-I62 PolarHBondContact O-N 3.42Å; I59-V63 WeakPolarHBondContact O-CG2 3.38Å; I59-V63 PolarHBondContact O-N 3.14Å
60	H	96.4	Very high	91.5	Very high	32 Å²	32	57.9 Å²	57.9	15%	0.148	31%	0.309	C	S	.	.	H	α-helix	trans	-66.4	-34.2	-179.8	-76.7	-81.1	0	0	0	111.9	H56 V63 F64 H166 Y169 W170	H56-H60 AromaticContact CD2-CD2 3.52Å; H56-H60 AromaticContact CD2-NE2 3.63Å; H56-H60 AromaticContact CE1-CD2 3.4Å; H56-H60 PolarHBondContact CE1-CD2 3.06Å; H56-H60 AromaticContact CE1-NE2 3.87Å; H56-H60 AromaticContact CG-CD2 3.78Å; H56-H60 AromaticContact ND1-CD2 3.72Å; H56-H60 AromaticContact NE2-CD2 3.27Å; H56-H60 PolarHBondContact NE2-CD2 3.17Å; H56-H60 VanDerWaalsContact NE2-CD2 3.27Å; H56-H60 AromaticContact NE2-NE2 3.29Å; H56-H60 PolarHBondContact NE2-NE2 3.32Å; H56-H60 PolarHBondContact O-CD2 3.03Å; H56-H60 VanDerWaalsContact O-CD2 3.27Å; H56-H60 PolarHBondContact O-N 2.89Å; H60-V63 PolarHBondContact O-N 3.36Å; H60-F64 WeakPolarHBondContact O-CB 3.41Å; H60-F64 PolarHBondContact O-N 3.42Å; H60-H166 AromaticContact CG-NE2 3.8Å; H60-H166 AromaticContact ND1-CD2 3.74Å; H60-H166 AromaticContact ND1-CE1 3.76Å; H60-H166 AromaticContact ND1-NE2 3Å; H60-H166 PolarHBondContact ND1-NE2 3.31Å; H60-H166 PolarHBondContact O-CE1 3.21Å; H60-H166 VanDerWaalsContact O-CE1 3.23Å; H60-Y169 AromaticContact CE1-CD1 3.73Å; H60-Y169 AromaticContact CE1-CE1 3.1Å; H60-Y169 WeakPolarHBondContact CE1-CE1 3.45Å; H60-Y169 AromaticContact CE1-CZ 3.9Å; H60-Y169 AromaticContact ND1-CD1 3.97Å; H60-Y169 AromaticContact ND1-CE1 3.62Å; H60-Y169 AromaticContact NE2-CE1 3.52Å; H60-W170 HydrophobicContact CB-CD2 3.83Å; H60-W170 HydrophobicContact CB-CE3 3.83Å; H60-W170 HydrophobicContact CB-CH2 3.91Å; H60-W170 HydrophobicContact CB-CZ2 3.93Å; H60-W170 HydrophobicContact CB-CZ3 3.87Å
61	G	96.2	Very high	93	Very high	6 Å²	6	54.8 Å²	54.8	6%	0.062	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-52.4	170.5	0	0	0	0	0	112.1	S57 F58 I59 V63 F64 H65 W170	S57-G61 WeakPolarHBondContact O-CA 3.48Å; S57-G61 PolarHBondContact O-N 2.73Å; F58-G61 PolarHBondContact O-N 3.49Å; I59-G61 VanDerWaalsContact C-N 3.3Å; I59-G61 PolarHBondContact O-N 3.49Å; G61-V63 PolarHBondContact O-N 3.48Å; G61-F64 PolarHBondContact O-N 3.13Å; G61-H65 PolarHBondContact O-N 3.16Å; G61-H65 PolarHBondContact O-ND1 3.28Å; G61-W170 VanDerWaalsContact N-CH2 3.35Å
62	I	97.2	Very high	94.7	Very high	78 Å²	78	57.3 Å²	57.3	40%	0.4	30%	0.295	S	S	.	.	H	α-helix	trans	-59.1	-47.8	178.1	-70.8	171.1	0	0	0	111.3	F58 I59 F64 H65 I66	F58-I62 HydrophobicContact CD1-CD1 3.87Å; F58-I62 HydrophobicContact CE1-CD1 3.37Å; F58-I62 HydrophobicContact CE2-CD1 4.19Å; F58-I62 HydrophobicContact CG-CD1 4.48Å; F58-I62 HydrophobicContact CZ-CD1 3.56Å; F58-I62 HydrophobicContact CZ-CG1 4.5Å; F58-I62 WeakPolarHBondContact O-CG1 3.31Å; F58-I62 PolarHBondContact O-N 2.78Å; I59-I62 PolarHBondContact O-N 3.42Å; I62-F64 VanDerWaalsContact C-N 3.33Å; I62-F64 PolarHBondContact O-N 2.88Å; I62-H65 PolarHBondContact O-N 2.67Å; I62-I66 HydrophobicContact CG2-CD1 3.71Å; I62-I66 HydrophobicContact CG2-CG1 4.42Å; I62-I66 WeakPolarHBondContact O-CG1 3.31Å; I62-I66 PolarHBondContact O-N 2.79Å
63	V	98.2	Very high	95.9	Very high	57 Å²	57	56.9 Å²	56.9	35%	0.345	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-45.5	-179.8	171.9	0	0	0	0	110.9	I59 H60 G61 I66 L67	I59-V63 WeakPolarHBondContact O-CG2 3.38Å; I59-V63 PolarHBondContact O-N 3.14Å; H60-V63 PolarHBondContact O-N 3.36Å; G61-V63 PolarHBondContact O-N 3.48Å; V63-I66 PolarHBondContact O-N 3.34Å; V63-L67 HydrophobicContact CG1-CD1 3.92Å; V63-L67 HydrophobicContact CG1-CG 4.45Å; V63-L67 WeakPolarHBondContact O-CG 3.11Å; V63-L67 PolarHBondContact O-N 3.25Å
64	F	98.2	Very high	96.5	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-49.1	178	-176.4	-91	0	0	0	111.7	E39 V42 H60 G61 I62 I66 L67 L68 L163 W170	E39-F64 VanDerWaalsContact OE2-CE1 3.3Å; E39-F64 WeakPolarHBondContact OE2-CE1 3.5Å; V42-F64 HydrophobicContact CB-CD1 4.19Å; V42-F64 HydrophobicContact CB-CE1 4.11Å; V42-F64 HydrophobicContact CB-CZ 4.42Å; V42-F64 HydrophobicContact CG1-CD1 3.99Å; V42-F64 HydrophobicContact CG1-CE1 4.39Å; V42-F64 HydrophobicContact CG1-CG 4.3Å; V42-F64 HydrophobicContact CG2-CD1 3.83Å; V42-F64 HydrophobicContact CG2-CD2 3.74Å; V42-F64 HydrophobicContact CG2-CE1 3.71Å; V42-F64 HydrophobicContact CG2-CE2 3.61Å; V42-F64 HydrophobicContact CG2-CG 3.85Å; V42-F64 HydrophobicContact CG2-CZ 3.6Å; H60-F64 WeakPolarHBondContact O-CB 3.41Å; H60-F64 PolarHBondContact O-N 3.42Å; G61-F64 PolarHBondContact O-N 3.13Å; I62-F64 VanDerWaalsContact C-N 3.33Å; I62-F64 PolarHBondContact O-N 2.88Å; F64-I66 VanDerWaalsContact C-N 3.35Å; F64-I66 PolarHBondContact O-N 2.9Å; F64-L67 PolarHBondContact O-N 3.26Å; F64-L68 HydrophobicContact CE1-CB 4.37Å; F64-L68 HydrophobicContact CE1-CD2 4.04Å; F64-L68 VanDerWaalsContact O-CB 3.31Å; F64-L68 WeakPolarHBondContact O-CB 3.25Å; F64-L68 PolarHBondContact O-N 3.13Å; F64-L163 HydrophobicContact CD2-CD1 3.52Å; F64-L163 HydrophobicContact CE1-CD1 4.49Å; F64-L163 HydrophobicContact CE2-CD1 3.42Å; F64-L163 VanDerWaalsContact CE2-CD1 3.42Å; F64-L163 HydrophobicContact CE2-CG 4.07Å; F64-L163 HydrophobicContact CG-CD1 4.12Å; F64-L163 HydrophobicContact CZ-CD1 3.94Å; F64-W170 HydrophobicContact CB-CZ3 4.2Å
65	H	98.3	Very high	97	Very high	78 Å²	78	48 Å²	48	36%	0.361	24%	0.238	S	C	.	.	H	α-helix	trans	-66.3	-35.4	-177.7	-72.1	77.8	0	0	0	112.6	E39 G61 I62 F69	E39-H65 IonicContact OE1-CD2 2.95Å; E39-H65 IonicContact OE1-NE2 3.63Å; E39-H65 PolarHBondContact OE1-NE2 2.97Å; E39-H65 IonicContact OE2-NE2 3.77Å; G61-H65 PolarHBondContact O-N 3.16Å; G61-H65 PolarHBondContact O-ND1 3.28Å; I62-H65 PolarHBondContact O-N 2.67Å; H65-F69 WeakPolarHBondContact O-CB 3.47Å; H65-F69 PolarHBondContact O-N 2.95Å
66	I	98.4	Very high	97.3	Very high	96 Å²	96	45.3 Å²	45.3	49%	0.492	22%	0.224	S	C	.	.	H	α-helix	trans	-64	-48.1	173.5	-69.5	170.4	0	0	0	110.3	I62 V63 F64 F69 L70	I62-I66 HydrophobicContact CG2-CD1 3.71Å; I62-I66 HydrophobicContact CG2-CG1 4.42Å; I62-I66 WeakPolarHBondContact O-CG1 3.31Å; I62-I66 PolarHBondContact O-N 2.79Å; V63-I66 PolarHBondContact O-N 3.34Å; F64-I66 VanDerWaalsContact C-N 3.35Å; F64-I66 PolarHBondContact O-N 2.9Å; I66-F69 PolarHBondContact O-N 2.82Å; I66-L70 HydrophobicContact CG2-CD1 3.82Å; I66-L70 HydrophobicContact CG2-CG 4.48Å; I66-L70 WeakPolarHBondContact O-CB 3.34Å; I66-L70 VanDerWaalsContact O-CG 3.28Å; I66-L70 WeakPolarHBondContact O-CG 3.44Å; I66-L70 PolarHBondContact O-N 2.72Å
67	L	98.7	Very high	97.5	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-42.2	178.6	-71.1	174.1	0	0	0	111.6	V63 F64 L70 A71 Y159 L162 L163 H166	V63-L67 HydrophobicContact CG1-CD1 3.92Å; V63-L67 HydrophobicContact CG1-CG 4.45Å; V63-L67 WeakPolarHBondContact O-CG 3.11Å; V63-L67 PolarHBondContact O-N 3.25Å; F64-L67 PolarHBondContact O-N 3.26Å; L67-L70 PolarHBondContact O-N 2.92Å; L67-A71 VanDerWaalsContact O-CB 3.31Å; L67-A71 WeakPolarHBondContact O-CB 2.99Å; L67-A71 PolarHBondContact O-N 3.47Å; L67-Y159 HydrophobicContact CD2-CD1 4.12Å; L67-L162 HydrophobicContact CD1-CB 4.25Å; L67-L162 HydrophobicContact CD2-CB 3.88Å; L67-L162 HydrophobicContact CD2-CD1 3.97Å; L67-L163 HydrophobicContact CB-CB 4.27Å; L67-L163 HydrophobicContact CB-CD1 3.7Å; L67-H166 HydrophobicContact CD1-CB 4.27Å
68	L	98.6	Very high	97.7	Very high	28 Å²	28	46.4 Å²	46.4	15%	0.147	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-48.4	176.2	177.4	62.9	0	0	0	111.1	L35 E39 F64 L70 A71 F72 L163	L35-L68 HydrophobicContact CB-CD1 4.04Å; L35-L68 HydrophobicContact CD2-CD1 3.95Å; L35-L68 HydrophobicContact CG-CD1 4.38Å; E39-L68 HydrophobicContact CB-CD2 4.14Å; E39-L68 HydrophobicContact CG-CD2 4.37Å; E39-L68 WeakPolarHBondContact OE2-CD2 3.29Å; F64-L68 HydrophobicContact CE1-CB 4.37Å; F64-L68 HydrophobicContact CE1-CD2 4.04Å; F64-L68 VanDerWaalsContact O-CB 3.31Å; F64-L68 WeakPolarHBondContact O-CB 3.25Å; F64-L68 PolarHBondContact O-N 3.13Å; L68-L70 PolarHBondContact O-N 2.89Å; L68-A71 PolarHBondContact O-N 3.4Å; L68-F72 VanDerWaalsContact O-CB 3.3Å; L68-F72 WeakPolarHBondContact O-CB 3.31Å; L68-F72 PolarHBondContact O-N 2.75Å; L68-L163 HydrophobicContact CB-CD1 4.31Å; L68-L163 HydrophobicContact CD1-CD2 4.2Å
69	F	98.5	Very high	97.9	Very high	118 Å²	118	40.5 Å²	40.5	52%	0.518	20%	0.202	S	C	.	.	H	α-helix	trans	-59.6	-46.4	176.8	172.8	-99.4	0	0	0	111.8	H65 I66 F72 A73 L266	H65-F69 WeakPolarHBondContact O-CB 3.47Å; H65-F69 PolarHBondContact O-N 2.95Å; I66-F69 PolarHBondContact O-N 2.82Å; F69-F72 PolarHBondContact O-N 3.08Å; F69-A73 WeakPolarHBondContact O-CB 3.47Å; F69-A73 PolarHBondContact O-N 3.06Å; F69-L266 HydrophobicContact CE1-CD1 4.43Å; F69-L266 HydrophobicContact CZ-CD1 4.36Å
70	L	98.6	Very high	97.9	Very high	32 Å²	32	40.7 Å²	40.7	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-65.9	-40.4	179.8	-70.1	170	0	0	0	112.1	I66 L67 L68 S74 Y159 P265	I66-L70 HydrophobicContact CG2-CD1 3.82Å; I66-L70 HydrophobicContact CG2-CG 4.48Å; I66-L70 WeakPolarHBondContact O-CB 3.34Å; I66-L70 VanDerWaalsContact O-CG 3.28Å; I66-L70 WeakPolarHBondContact O-CG 3.44Å; I66-L70 PolarHBondContact O-N 2.72Å; L67-L70 PolarHBondContact O-N 2.92Å; L68-L70 PolarHBondContact O-N 2.89Å; L70-S74 VanDerWaalsContact O-CB 3.28Å; L70-S74 WeakPolarHBondContact O-CB 3.05Å; L70-S74 PolarHBondContact O-N 3.35Å; L70-S74 PolarHBondContact O-OG 3.24Å; L70-Y159 HydrophobicContact CB-CD1 3.91Å; L70-Y159 HydrophobicContact CB-CD2 3.78Å; L70-Y159 HydrophobicContact CB-CE1 3.97Å; L70-Y159 HydrophobicContact CB-CE2 3.84Å; L70-Y159 HydrophobicContact CB-CG 3.83Å; L70-Y159 HydrophobicContact CD1-CD1 4.21Å; L70-Y159 HydrophobicContact CD1-CE1 3.62Å; L70-Y159 HydrophobicContact CG-CE1 4.37Å; L70-P265 HydrophobicContact CD2-CG 4.06Å
71	A	98.7	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-49.4	174.7	0	0	0	0	0	111.3	L67 L68 S74 H75 I160	L67-A71 VanDerWaalsContact O-CB 3.31Å; L67-A71 WeakPolarHBondContact O-CB 2.99Å; L67-A71 PolarHBondContact O-N 3.47Å; L68-A71 PolarHBondContact O-N 3.4Å; A71-S74 PolarHBondContact O-N 3.16Å; A71-H75 WeakPolarHBondContact O-CB 3.47Å; A71-H75 PolarHBondContact O-N 3.11Å; A71-I160 HydrophobicContact CB-CD1 3.81Å; A71-I160 HydrophobicContact CB-CG1 4.3Å
72	F	98.6	Very high	97.8	Very high	80 Å²	80	43.3 Å²	43.3	35%	0.351	22%	0.218	S	C	.	.	H	α-helix	trans	-63.6	-44.3	179.2	-175	-104.1	0	0	0	112.2	W32 L35 L68 F69 S74 H75 L76	W32-F72 AromaticContact CD1-CE2 3.63Å; W32-F72 HydrophobicContact CD2-CE2 4.36Å; W32-F72 HydrophobicContact CG-CE2 4.07Å; W32-F72 AromaticContact NE1-CE2 3.65Å; L35-F72 HydrophobicContact CD1-CD2 4.28Å; L68-F72 VanDerWaalsContact O-CB 3.3Å; L68-F72 WeakPolarHBondContact O-CB 3.31Å; L68-F72 PolarHBondContact O-N 2.75Å; F69-F72 PolarHBondContact O-N 3.08Å; F72-S74 VanDerWaalsContact C-N 3.34Å; F72-S74 PolarHBondContact O-N 2.87Å; F72-H75 WeakPolarHBondContact O-CB 3.38Å; F72-H75 PolarHBondContact O-N 3.36Å; F72-L76 HydrophobicContact CD1-CD1 3.9Å; F72-L76 HydrophobicContact CD1-CG 4.38Å; F72-L76 HydrophobicContact CE1-CD1 3.33Å; F72-L76 HydrophobicContact CE1-CG 4.02Å; F72-L76 HydrophobicContact CZ-CD1 3.74Å; F72-L76 HydrophobicContact CZ-CD2 4.38Å; F72-L76 HydrophobicContact CZ-CG 4.08Å; F72-L76 PolarHBondContact O-N 3.13Å
73	A	98.4	Very high	97.7	Very high	10 Å²	10	39.6 Å²	39.6	8%	0.083	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-41	175.4	0	0	0	0	0	111.9	F69 K77 P265 L266	F69-A73 WeakPolarHBondContact O-CB 3.47Å; F69-A73 PolarHBondContact O-N 3.06Å; A73-K77 VanDerWaalsContact O-CB 3.32Å; A73-K77 WeakPolarHBondContact O-CB 3.47Å; A73-K77 WeakPolarHBondContact O-CG 3.25Å; A73-K77 PolarHBondContact O-N 3.24Å; A73-P265 HydrophobicContact CB-CG 4.02Å; A73-L266 HydrophobicContact CB-CD2 4.18Å
74	S	98.6	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-40.7	175.9	-57.5	0	0	0	0	111.9	L70 A71 F72 K77 T78 P265	L70-S74 VanDerWaalsContact O-CB 3.28Å; L70-S74 WeakPolarHBondContact O-CB 3.05Å; L70-S74 PolarHBondContact O-N 3.35Å; L70-S74 PolarHBondContact O-OG 3.24Å; A71-S74 PolarHBondContact O-N 3.16Å; F72-S74 VanDerWaalsContact C-N 3.34Å; F72-S74 PolarHBondContact O-N 2.87Å; S74-K77 PolarHBondContact O-N 2.87Å; S74-T78 WeakPolarHBondContact O-CB 3.4Å; S74-T78 PolarHBondContact O-N 3.12Å; S74-T78 PolarHBondContact O-OG1 2.95Å; S74-P265 VanDerWaalsContact OG-CB 3.22Å; S74-P265 WeakPolarHBondContact OG-CB 3.03Å
75	H	98.6	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-53.9	175	-179.2	-93.6	0	0	0	111.2	W32 A71 F72 K77 T78 M79 W140 F156	W32-H75 AromaticContact CD1-ND1 3.99Å; W32-H75 AromaticContact CE2-CE1 3.96Å; W32-H75 AromaticContact CE2-ND1 3.99Å; W32-H75 AromaticContact NE1-CE1 3.24Å; W32-H75 PolarHBondContact NE1-CE1 3.06Å; W32-H75 AromaticContact NE1-ND1 3.08Å; W32-H75 PolarHBondContact NE1-ND1 2.99Å; A71-H75 WeakPolarHBondContact O-CB 3.47Å; A71-H75 PolarHBondContact O-N 3.11Å; F72-H75 WeakPolarHBondContact O-CB 3.38Å; F72-H75 PolarHBondContact O-N 3.36Å; H75-K77 VanDerWaalsContact C-N 3.32Å; H75-K77 PolarHBondContact O-N 3.21Å; H75-T78 WeakPolarHBondContact O-CB 3.36Å; H75-T78 PolarHBondContact O-N 3.28Å; H75-T78 VanDerWaalsContact O-N 3.08Å; H75-M79 WeakPolarHBondContact O-CB 3.39Å; H75-M79 PolarHBondContact O-N 2.95Å; H75-W140 PolarHBondContact NE2-O 3.22Å; H75-F156 HydrophobicContact CB-CD2 3.76Å; H75-F156 HydrophobicContact CB-CE2 3.81Å; H75-F156 HydrophobicContact CB-CG 4.36Å; H75-F156 HydrophobicContact CB-CZ 4.45Å; H75-F156 AromaticContact CD2-CE1 3.91Å; H75-F156 AromaticContact CD2-CE2 3.8Å; H75-F156 AromaticContact CD2-CZ 3.58Å
76	L	97.8	Very high	97.1	Very high	51 Å²	51	33.9 Å²	33.9	27%	0.267	17%	0.172	S	C	.	.	H	α-helix	trans	-58.4	-42.8	177.8	-75.6	-177.1	0	0	0	112.1	W32 F72 T78 M79 L80	W32-L76 HydrophobicContact CZ2-CD2 3.79Å; F72-L76 HydrophobicContact CD1-CD1 3.9Å; F72-L76 HydrophobicContact CD1-CG 4.38Å; F72-L76 HydrophobicContact CE1-CD1 3.33Å; F72-L76 HydrophobicContact CE1-CG 4.02Å; F72-L76 HydrophobicContact CZ-CD1 3.74Å; F72-L76 HydrophobicContact CZ-CD2 4.38Å; F72-L76 HydrophobicContact CZ-CG 4.08Å; F72-L76 PolarHBondContact O-N 3.13Å; L76-T78 VanDerWaalsContact C-N 3.34Å; L76-T78 PolarHBondContact O-N 3.13Å; L76-M79 PolarHBondContact O-N 3.2Å; L76-L80 HydrophobicContact CD2-CD1 4.39Å; L76-L80 VanDerWaalsContact O-CB 3.3Å; L76-L80 WeakPolarHBondContact O-CB 3.35Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 3.27Å
77	K	97	Very high	96.7	Very high	64 Å²	64	32.4 Å²	32.4	28%	0.278	17%	0.168	S	C	.	.	H	α-helix	trans	-63.3	-40.1	176.2	-74.8	-77.7	-169.7	176.6	0	112	A73 S74 H75 T81 Y152 P265	A73-K77 VanDerWaalsContact O-CB 3.32Å; A73-K77 WeakPolarHBondContact O-CB 3.47Å; A73-K77 WeakPolarHBondContact O-CG 3.25Å; A73-K77 PolarHBondContact O-N 3.24Å; S74-K77 PolarHBondContact O-N 2.87Å; H75-K77 VanDerWaalsContact C-N 3.32Å; H75-K77 PolarHBondContact O-N 3.21Å; K77-T81 WeakPolarHBondContact O-CB 3.37Å; K77-T81 PolarHBondContact O-N 2.77Å; K77-T81 VanDerWaalsContact O-N 3.13Å; K77-T81 PolarHBondContact O-OG1 3.33Å; K77-Y152 HydrophobicContact CB-CD1 3.71Å; K77-Y152 HydrophobicContact CB-CD2 4.05Å; K77-Y152 HydrophobicContact CB-CE1 4.21Å; K77-Y152 HydrophobicContact CB-CG 3.62Å; K77-Y152 HydrophobicContact CD-CE1 4.37Å; K77-Y152 HydrophobicContact CG-CD1 4.27Å; K77-Y152 HydrophobicContact CG-CE1 4.41Å; K77-P265 WeakPolarHBondContact CE-O 3.3Å; K77-P265 WeakPolarHBondContact CG-O 3.12Å
78	T	97.6	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-44.5	176.7	-54.3	0	0	0	0	111.3	S74 H75 L76 V141 N143 N149 Y152 F153	S74-T78 WeakPolarHBondContact O-CB 3.4Å; S74-T78 PolarHBondContact O-N 3.12Å; S74-T78 PolarHBondContact O-OG1 2.95Å; H75-T78 WeakPolarHBondContact O-CB 3.36Å; H75-T78 PolarHBondContact O-N 3.28Å; H75-T78 VanDerWaalsContact O-N 3.08Å; L76-T78 VanDerWaalsContact C-N 3.34Å; L76-T78 PolarHBondContact O-N 3.13Å; T78-V141 HydrophobicContact CG2-CB 3.92Å; T78-V141 HydrophobicContact CG2-CG1 4.05Å; T78-V141 HydrophobicContact CG2-CG2 3.85Å; T78-N143 PolarHBondContact O-ND2 3.31Å; T78-N149 PolarHBondContact O-ND2 3.28Å; T78-Y152 VanDerWaalsContact OG1-CB 3.24Å; T78-Y152 WeakPolarHBondContact OG1-CB 3.46Å; T78-Y152 PolarHBondContact OG1-O 3Å; T78-F153 HydrophobicContact CG2-CB 3.85Å; T78-F153 HydrophobicContact CG2-CD2 4.05Å; T78-F153 HydrophobicContact CG2-CG 4.43Å; T78-F153 WeakPolarHBondContact OG1-CA 3.48Å; T78-F153 PolarHBondContact OG1-N 2.81Å; T78-F153 VanDerWaalsContact OG1-N 3.11Å
79	M	97.4	Very high	95.8	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-45	-179.2	179.5	-179.5	178.6	0	0	112.6	A28 W32 H75 L76 V141 N142 N143	A28-M79 HydrophobicContact CB-CE 4.17Å; A28-M79 HydrophobicContact CB-SD 4.1Å; W32-M79 HydrophobicContact CH2-SD 4.48Å; W32-M79 HydrophobicContact CZ2-SD 4.03Å; H75-M79 WeakPolarHBondContact O-CB 3.39Å; H75-M79 PolarHBondContact O-N 2.95Å; L76-M79 PolarHBondContact O-N 3.2Å; M79-V141 WeakPolarHBondContact CA-O 3.37Å; M79-V141 VanDerWaalsContact CB-O 3.26Å; M79-V141 WeakPolarHBondContact CB-O 3.35Å; M79-V141 WeakPolarHBondContact CG-O 3.4Å; M79-N142 HydrophobicContact CE-CB 4.16Å; M79-N142 HydrophobicContact CG-CB 4.3Å; M79-N143 PolarHBondContact O-ND2 3.34Å
80	L	96.3	Very high	95.1	Very high	85 Å²	85	32.2 Å²	32.2	45%	0.445	18%	0.18	S	C	.	.	H	α-helix	trans	-99.4	0.1	-168.3	-57.6	176.6	0	0	0	114.6	W17 C18 L76	W17-L80 CarbonylContact O-C 3.46Å; W17-L80 VanDerWaalsContact O-CA 3.26Å; W17-L80 WeakPolarHBondContact O-CA 3.08Å; C18-L80 HydrophobicContact CB-CD2 4.2Å; L76-L80 HydrophobicContact CD2-CD1 4.39Å; L76-L80 VanDerWaalsContact O-CB 3.3Å; L76-L80 WeakPolarHBondContact O-CB 3.35Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 3.27Å
81	T	95.1	Very high	94.4	Very high	35 Å²	35	31.3 Å²	31.3	22%	0.215	18%	0.177	C	C	.	.	S	Bend	trans	-93.3	134.8	175.2	-60	0	0	0	0	110.7	K77 P83 N143 N149 Y152	K77-T81 WeakPolarHBondContact O-CB 3.37Å; K77-T81 PolarHBondContact O-N 2.77Å; K77-T81 VanDerWaalsContact O-N 3.13Å; K77-T81 PolarHBondContact O-OG1 3.33Å; T81-P83 WeakPolarHBondContact O-CD 2.6Å; T81-P83 VanDerWaalsContact O-N 3.15Å; T81-N143 PolarHBondContact O-ND2 2.88Å; T81-N149 HydrophobicContact CG2-CB 4.16Å; T81-Y152 HydrophobicContact CG2-CE2 4.12Å
82	D	95.4	Very high	93.6	Very high	59 Å²	59	33.5 Å²	33.5	32%	0.316	19%	0.192	S	C	.	.			trans	-55.6	117.7	167.9	-179	-20.5	0	0	0	109.3	W17 G84 A85 S148	W17-D82 HydrophobicContact CB-CB 4.23Å; W17-D82 HydrophobicContact CD2-CB 4.08Å; W17-D82 HydrophobicContact CE3-CB 3.93Å; W17-D82 HydrophobicContact CG-CB 4.2Å; D82-G84 PolarHBondContact O-N 3.32Å; D82-G84 PolarHBondContact OD1-N 3.05Å; D82-A85 WeakPolarHBondContact OD1-CB 3.28Å; D82-A85 PolarHBondContact OD1-N 2.75Å; D82-S148 WeakPolarHBondContact O-CB 3.28Å
83	P	95.6	Very high	92.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.			trans	-72.8	1.5	-174.7	32.7	-38	0	0	0	113.4	W17 T81 I131 C144 G146 E147 S148	W17-P83 HydrophobicContact CH2-CG 4.48Å; W17-P83 VanDerWaalsContact CZ2-CD 3.42Å; W17-P83 HydrophobicContact CZ2-CG 3.83Å; T81-P83 WeakPolarHBondContact O-CD 2.6Å; T81-P83 VanDerWaalsContact O-N 3.15Å; P83-I131 HydrophobicContact CB-CG2 4.01Å; P83-I131 HydrophobicContact CG-CD1 3.86Å; P83-I131 HydrophobicContact CG-CG1 4.39Å; P83-I131 HydrophobicContact CG-CG2 4.04Å; P83-C144 HydrophobicContact CB-CB 4.13Å; P83-C144 VanDerWaalsContact CB-O 3.24Å; P83-C144 WeakPolarHBondContact CB-O 3.5Å; P83-C144 HydrophobicContact CG-CB 3.99Å; P83-G146 CarbonylContact O-C 3.44Å; P83-G146 VanDerWaalsContact O-C 3.22Å; P83-G146 WeakPolarHBondContact O-CA 3.29Å; P83-E147 PolarHBondContact O-N 3.44Å; P83-S148 PolarHBondContact O-N 3.45Å
84	G	94	Very high	92.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	23%	0.228	C	C	.	.			trans	110.4	39.4	-176.7	0	0	0	0	0	111.9	D82 V86 R132	D82-G84 PolarHBondContact O-N 3.32Å; D82-G84 PolarHBondContact OD1-N 3.05Å; G84-V86 PolarHBondContact O-N 2.87Å; G84-R132 WeakPolarHBondContact O-CB 3.3Å; G84-R132 WeakPolarHBondContact O-CG 3.26Å; G84-R132 PolarHBondContact O-N 3.34Å; G84-R132 PolarHBondContact O-NE 3.37Å
85	A	94.8	Very high	91.2	Very high	16 Å²	16	42.3 Å²	42.3	13%	0.132	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-62.3	131.7	-180	0	0	0	0	0	112	W17 D82 R129 C130 I131	W17-A85 HydrophobicContact CH2-CB 3.5Å; W17-A85 HydrophobicContact CZ3-CB 3.47Å; W17-A85 VanDerWaalsContact CZ3-CB 3.47Å; D82-A85 WeakPolarHBondContact OD1-CB 3.28Å; D82-A85 PolarHBondContact OD1-N 2.75Å; A85-R129 HydrophobicContact CB-CB 4.24Å; A85-R129 HydrophobicContact CB-CG 4.34Å; A85-C130 CarbonylContact C-O 3.22Å; A85-C130 WeakPolarHBondContact CA-O 3.32Å; A85-I131 HydrophobicContact CB-CD1 3.96Å
86	V	92.3	Very high	90.3	Very high	2 Å²	2	43 Å²	43	1%	0.012	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-74.4	132	174	-176.7	0	0	0	0	108.6	G84 K88 P118 A121 C130 R132	G84-V86 PolarHBondContact O-N 2.87Å; V86-K88 PolarHBondContact O-N 2.96Å; V86-P118 HydrophobicContact CG2-CG 3.98Å; V86-A121 HydrophobicContact CG2-CB 4.42Å; V86-C130 HydrophobicContact CB-CB 3.98Å; V86-C130 HydrophobicContact CG2-CB 3.92Å; V86-C130 PolarHBondContact N-O 2.84Å; V86-R132 HydrophobicContact CG2-CG 3.96Å
87	P	90.7	Very high	89.5	Confident	64 Å²	64	45.4 Å²	45.4	42%	0.416	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-54	135	174.3	-26.1	34.9	0	0	0	112.1	S115	P87-S115 VanDerWaalsContact O-CB 3.29Å; P87-S115 WeakPolarHBondContact O-CB 3.26Å
88	K	89.7	Confident	88.7	Confident	101 Å²	101	49.1 Å²	49.1	44%	0.439	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	150.3	173.9	-72.5	-173.7	168.3	-177.6	0	110.4	V86 N90 C113 Q128	V86-K88 PolarHBondContact O-N 2.96Å; K88-N90 PolarHBondContact O-N 3.25Å; K88-C113 WeakPolarHBondContact CA-O 3.48Å; K88-C113 HydrophobicContact CG-CB 4.27Å; K88-Q128 WeakPolarHBondContact CE-O 3.46Å; K88-Q128 PolarHBondContact NZ-O 3.47Å
89	G	87.2	Confident	87.6	Confident	48 Å²	48	50.4 Å²	50.4	50%	0.495	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	8.4	171.1	0	0	0	0	0	115.4	A91 C113 Y114	G89-A91 PolarHBondContact O-N 2.64Å; G89-C113 PolarHBondContact N-O 3.37Å; G89-Y114 CarbonylContact C-O 3.32Å; G89-Y114 WeakPolarHBondContact CA-O 3.24Å; G89-Y114 PolarHBondContact N-O 3Å
90	N	84	Confident	86.6	Confident	16 Å²	16	56.6 Å²	56.6	9%	0.086	29%	0.288	C	S	.	.			trans	-77	0.3	177.6	78	-20.4	0	0	0	113.6	K88 S92 N95 Y114 S115 I116 V280	K88-N90 PolarHBondContact O-N 3.25Å; N90-S92 PolarHBondContact O-N 3.13Å; N90-S92 VanDerWaalsContact O-N 3.15Å; N90-N95 VanDerWaalsContact O-CB 3.28Å; N90-N95 WeakPolarHBondContact O-CB 3.39Å; N90-N95 PolarHBondContact O-ND2 2.89Å; N90-Y114 PolarHBondContact N-O 3.41Å; N90-S115 WeakPolarHBondContact OD1-CA 3.24Å; N90-S115 WeakPolarHBondContact OD1-CB 3.35Å; N90-I116 PolarHBondContact OD1-N 3.4Å; N90-V280 WeakPolarHBondContact CB-O 3.35Å; N90-V280 PolarHBondContact ND2-O 3.26Å
91	A	84.7	Confident	85.7	Confident	12 Å²	12	59.9 Å²	59.9	10%	0.099	31%	0.305	C	S	.	.			trans	-86.2	56.4	171.7	0	0	0	0	0	111.6	G89 I96 R109 Y114 I116	G89-A91 PolarHBondContact O-N 2.64Å; A91-I96 HydrophobicContact CB-CD1 4.43Å; A91-R109 HydrophobicContact CB-CG 4.29Å; A91-Y114 VanDerWaalsContact CB-O 3.31Å; A91-Y114 WeakPolarHBondContact CB-O 3.28Å; A91-Y114 PolarHBondContact N-O 2.85Å; A91-I116 HydrophobicContact CB-CG1 3.87Å
92	S	82.2	Confident	84.7	Confident	46 Å²	46	63.6 Å²	63.6	32%	0.322	32%	0.323	S	S	.	.			trans	-70.2	156.9	166.2	66.8	0	0	0	0	110.1	N90 E94 N95 I96	N90-S92 PolarHBondContact O-N 3.13Å; N90-S92 VanDerWaalsContact O-N 3.15Å; S92-E94 PolarHBondContact O-N 3.48Å; S92-N95 PolarHBondContact O-N 3.34Å; S92-N95 VanDerWaalsContact O-N 3.15Å; S92-N95 VanDerWaalsContact OG-CB 3.32Å; S92-N95 WeakPolarHBondContact OG-CB 3.08Å; S92-N95 PolarHBondContact OG-N 3.45Å; S92-N95 VanDerWaalsContact OG-N 3.1Å; S92-N95 PolarHBondContact OG-OD1 3.35Å; S92-I96 VanDerWaalsContact O-CG1 3.31Å; S92-I96 WeakPolarHBondContact O-CG1 3.17Å; S92-I96 PolarHBondContact O-N 3.39Å
93	E	81.4	Confident	83.3	Confident	110 Å²	110	64.3 Å²	64.3	51%	0.514	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-38.8	176.7	-168.6	58.5	-150.1	0	0	111.4	I96 Q97	E93-I96 PolarHBondContact O-N 3.11Å; E93-Q97 WeakPolarHBondContact O-CB 3.32Å; E93-Q97 VanDerWaalsContact O-CG 3.27Å; E93-Q97 WeakPolarHBondContact O-CG 3.21Å; E93-Q97 PolarHBondContact O-N 2.72Å
94	E	83.1	Confident	82	Confident	146 Å²	146	68 Å²	68	68%	0.682	36%	0.362	S	S	*	.	H	α-helix	trans	-59.6	-46.6	174	-175.1	-178	178.7	0	0	112.1	S92 I96 Q97 R98	S92-E94 PolarHBondContact O-N 3.48Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3.22Å; E94-Q97 PolarHBondContact O-N 3.01Å; E94-R98 WeakPolarHBondContact O-CB 3.42Å; E94-R98 PolarHBondContact O-N 3.46Å
95	N	80.5	Confident	80.8	Confident	20 Å²	20	76.8 Å²	76.8	11%	0.107	40%	0.395	C	S	.	.	H	α-helix	trans	-67.2	-37.2	178.9	-72.7	0.9	0	0	0	111.5	N90 S92 M99 I116 V280	N90-N95 VanDerWaalsContact O-CB 3.28Å; N90-N95 WeakPolarHBondContact O-CB 3.39Å; N90-N95 PolarHBondContact O-ND2 2.89Å; S92-N95 PolarHBondContact O-N 3.34Å; S92-N95 VanDerWaalsContact O-N 3.15Å; S92-N95 VanDerWaalsContact OG-CB 3.32Å; S92-N95 WeakPolarHBondContact OG-CB 3.08Å; S92-N95 PolarHBondContact OG-N 3.45Å; S92-N95 VanDerWaalsContact OG-N 3.1Å; S92-N95 PolarHBondContact OG-OD1 3.35Å; N95-M99 WeakPolarHBondContact O-CB 3.25Å; N95-M99 VanDerWaalsContact O-CG 3.26Å; N95-M99 WeakPolarHBondContact O-CG 3.35Å; N95-M99 PolarHBondContact O-N 3.12Å; N95-I116 HydrophobicContact CB-CD1 4.03Å; N95-V280 HydrophobicContact CB-CB 4.3Å; N95-V280 HydrophobicContact CB-CG1 4.08Å; N95-V280 PolarHBondContact ND2-OXT 2.69Å; N95-V280 WeakPolarHBondContact OD1-CG1 3.47Å
96	I	80.3	Confident	79.8	Confident	14 Å²	14	81 Å²	81	7%	0.072	42%	0.42	C	S	.	.	H	α-helix	trans	-63.7	-47.3	174.7	-70.5	166.8	0	0	0	110.4	A91 S92 E93 E94 M99 R100 F107 I116	A91-I96 HydrophobicContact CB-CD1 4.43Å; S92-I96 VanDerWaalsContact O-CG1 3.31Å; S92-I96 WeakPolarHBondContact O-CG1 3.17Å; S92-I96 PolarHBondContact O-N 3.39Å; E93-I96 PolarHBondContact O-N 3.11Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3.22Å; I96-M99 PolarHBondContact O-N 3.38Å; I96-R100 WeakPolarHBondContact O-CG 3.3Å; I96-R100 PolarHBondContact O-N 2.92Å; I96-F107 HydrophobicContact CB-CZ 4.47Å; I96-F107 HydrophobicContact CG1-CE2 4.22Å; I96-F107 HydrophobicContact CG1-CZ 4.37Å; I96-F107 HydrophobicContact CG2-CE1 3.95Å; I96-F107 HydrophobicContact CG2-CE2 4.17Å; I96-F107 HydrophobicContact CG2-CZ 3.48Å; I96-F107 VanDerWaalsContact CG2-CZ 3.48Å; I96-I116 HydrophobicContact CG1-CD1 4.24Å
97	Q	80.4	Confident	79	Confident	101 Å²	101	83.8 Å²	83.8	47%	0.472	43%	0.433	S	S	.	.	H	α-helix	trans	-61.2	-46	176.9	-73.7	175.4	5.2	0	0	111.3	E93 E94 M99 R100 L101	E93-Q97 WeakPolarHBondContact O-CB 3.32Å; E93-Q97 VanDerWaalsContact O-CG 3.27Å; E93-Q97 WeakPolarHBondContact O-CG 3.21Å; E93-Q97 PolarHBondContact O-N 2.72Å; E94-Q97 PolarHBondContact O-N 3.01Å; Q97-M99 VanDerWaalsContact C-N 3.33Å; Q97-M99 PolarHBondContact O-N 2.88Å; Q97-R100 PolarHBondContact O-N 3Å; Q97-L101 WeakPolarHBondContact O-CG 3.49Å; Q97-L101 PolarHBondContact O-N 2.86Å
98	R	80.4	Confident	78.7	Confident	143 Å²	143	88 Å²	88	54%	0.54	44%	0.441	S	S	.	.	H	α-helix	trans	-58.3	-43.8	175.8	-172.4	177.8	-178.4	-175.3	0.2	112.1	E94 L101 L102	E94-R98 WeakPolarHBondContact O-CB 3.42Å; E94-R98 PolarHBondContact O-N 3.46Å; R98-L101 PolarHBondContact O-N 3.33Å; R98-L102 HydrophobicContact CG-CD1 3.75Å; R98-L102 WeakPolarHBondContact O-CB 3.27Å; R98-L102 WeakPolarHBondContact O-CD1 3.38Å; R98-L102 WeakPolarHBondContact O-CG 3.49Å; R98-L102 PolarHBondContact O-N 3.35Å
99	M	74.4	Confident	78.7	Confident	26 Å²	26	89.6 Å²	89.6	13%	0.128	44%	0.444	C	S	.	.	H	α-helix	trans	-64.9	-41	177	-77.2	-67.4	-69.4	0	0	112.5	N95 I96 Q97 L102 H103 I116 V280	N95-M99 WeakPolarHBondContact O-CB 3.25Å; N95-M99 VanDerWaalsContact O-CG 3.26Å; N95-M99 WeakPolarHBondContact O-CG 3.35Å; N95-M99 PolarHBondContact O-N 3.12Å; I96-M99 PolarHBondContact O-N 3.38Å; Q97-M99 VanDerWaalsContact C-N 3.33Å; Q97-M99 PolarHBondContact O-N 2.88Å; M99-L102 PolarHBondContact O-N 2.97Å; M99-H103 PolarHBondContact O-N 3.36Å; M99-H103 VanDerWaalsContact O-N 3.1Å; M99-I116 HydrophobicContact CE-CG2 4.34Å; M99-I116 HydrophobicContact CG-CD1 3.84Å; M99-V280 HydrophobicContact SD-CG2 4.36Å
100	R	76.7	Confident	79	Confident	143 Å²	143	88 Å²	88	54%	0.54	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-45	174.9	-74.6	177.9	-178.5	161.9	4.7	111.6	I96 Q97 G104 F107	I96-R100 WeakPolarHBondContact O-CG 3.3Å; I96-R100 PolarHBondContact O-N 2.92Å; Q97-R100 PolarHBondContact O-N 3Å; R100-G104 PolarHBondContact O-N 3.17Å; R100-F107 HydrophobicContact CG-CD1 4.38Å; R100-F107 HydrophobicContact CG-CE1 3.94Å
101	L	77.1	Confident	79.3	Confident	155 Å²	155	90.8 Å²	90.8	81%	0.812	45%	0.451	S	S	*	.	H	α-helix	trans	-65.6	-40.8	178.9	-70	171.4	0	0	0	112.6	Q97 R98	Q97-L101 WeakPolarHBondContact O-CG 3.49Å; Q97-L101 PolarHBondContact O-N 2.86Å; R98-L101 PolarHBondContact O-N 3.33Å
102	L	74.3	Confident	79.7	Confident	113 Å²	113	96.7 Å²	96.7	59%	0.592	47%	0.474	S	S	*	.	H	α-helix	trans	-75.9	-43.1	-175	-79.9	162.9	0	0	0	113.7	R98 M99	R98-L102 HydrophobicContact CG-CD1 3.75Å; R98-L102 WeakPolarHBondContact O-CB 3.27Å; R98-L102 WeakPolarHBondContact O-CD1 3.38Å; R98-L102 WeakPolarHBondContact O-CG 3.49Å; R98-L102 PolarHBondContact O-N 3.35Å; M99-L102 PolarHBondContact O-N 2.97Å
103	H	66.4	Low	80.2	Confident	74 Å²	74	94.6 Å²	94.6	34%	0.343	46%	0.46	S	S	.	.	H	α-helix	trans	-107.6	-23.8	-163.9	-67.8	80.1	0	0	0	114.2	M99 R105 H278	M99-H103 PolarHBondContact O-N 3.36Å; M99-H103 VanDerWaalsContact O-N 3.1Å; H103-R105 HydrophobicContact CB-CB 4.3Å; H103-R105 WeakPolarHBondContact O-CG 3.19Å; H103-R105 PolarHBondContact O-N 3.01Å; H103-H278 AromaticContact NE2-CE1 3.78Å; H103-H278 AromaticContact NE2-ND1 3.54Å
104	G	68.4	Low	80.8	Confident	76 Å²	76	96.3 Å²	96.3	78%	0.784	46%	0.462	S	S	*	.			trans	56.1	6	-172.4	0	0	0	0	0	114.9	R100	R100-G104 PolarHBondContact O-N 3.17Å
105	R	68.2	Low	81.1	Confident	187 Å²	187	89.3 Å²	89.3	71%	0.706	43%	0.43	S	S	*	.	S	Bend	trans	-105.1	153.8	-174.4	-75.1	178.1	-173.1	-162.1	1.8	110.5	H103 F107	H103-R105 HydrophobicContact CB-CB 4.3Å; H103-R105 WeakPolarHBondContact O-CG 3.19Å; H103-R105 PolarHBondContact O-N 3.01Å; R105-F107 PolarHBondContact O-N 2.83Å
106	P	72.5	Confident	81.5	Confident	103 Å²	103	88.9 Å²	88.9	67%	0.669	43%	0.427	S	S	*	.			trans	-59.3	129.5	173.1	25.5	-33.7	0	0	0	110
107	F	76.8	Confident	81.9	Confident	62 Å²	62	91 Å²	91	27%	0.272	44%	0.436	S	S	.	.			trans	-101.5	147.5	169.3	68.3	-87.5	0	0	0	109.6	I96 R100 R105 I116	I96-F107 HydrophobicContact CB-CZ 4.47Å; I96-F107 HydrophobicContact CG1-CE2 4.22Å; I96-F107 HydrophobicContact CG1-CZ 4.37Å; I96-F107 HydrophobicContact CG2-CE1 3.95Å; I96-F107 HydrophobicContact CG2-CE2 4.17Å; I96-F107 HydrophobicContact CG2-CZ 3.48Å; I96-F107 VanDerWaalsContact CG2-CZ 3.48Å; R100-F107 HydrophobicContact CG-CD1 4.38Å; R100-F107 HydrophobicContact CG-CE1 3.94Å; R105-F107 PolarHBondContact O-N 2.83Å; F107-I116 HydrophobicContact CB-CG2 4.47Å
108	Y	85.2	Confident	82.2	Confident	153 Å²	153	87.2 Å²	87.2	60%	0.6	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.4	176.9	-61	-83.8	0	0	0	109.6	K117	Y108-K117 VanDerWaalsContact O-CB 3.25Å; Y108-K117 WeakPolarHBondContact O-CB 3.48Å; Y108-K117 PolarHBondContact O-N 3.11Å
109	R	88.6	Confident	82.4	Confident	133 Å²	133	86.9 Å²	86.9	50%	0.502	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.4	176.3	-172.1	-177.9	-176	-140.9	13.3	109.9	A91 S115	A91-R109 HydrophobicContact CB-CG 4.29Å; R109-S115 WeakPolarHBondContact CA-O 3.42Å
110	C	92.8	Very high	83.1	Confident	15 Å²	15	87.5 Å²	87.5	10%	0.101	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.9	167	-176.9	0	0	0	0	110	K112 C113 Y114 S115 H123 C130	C110-K112 VanDerWaalsContact C-N 3.3Å; C110-K112 PolarHBondContact O-N 3.5Å; C110-C113 HydrophobicContact CB-CB 4.06Å; C110-C113 PolarHBondContact O-N 3.36Å; C110-C113 PolarHBondContact SG-N 2.95Å; C110-C113 VanDerWaalsContact SG-N 3.4Å; C110-Y114 WeakPolarHBondContact O-CA 3.46Å; C110-Y114 PolarHBondContact O-N 2.55Å; C110-S115 PolarHBondContact N-O 3.28Å; C110-H123 PolarHBondContact SG-ND1 2.75Å; C110-H123 VanDerWaalsContact SG-ND1 3.41Å; C110-C130 VanDerWaalsContact CB-SG 3.52Å
111	A	91.3	Very high	83.9	Confident	74 Å²	74	80.7 Å²	80.7	61%	0.612	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-34.6	176.6	0	0	0	0	0	112.9	Y114	A111-Y114 WeakPolarHBondContact O-CE2 3.46Å
112	K	93.2	Very high	84.7	Confident	136 Å²	136	74.7 Å²	74.7	59%	0.591	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-36.3	-179.6	-64.8	-179.3	177.5	-177.1	0	113.2	C110 H123	C110-K112 VanDerWaalsContact C-N 3.3Å; C110-K112 PolarHBondContact O-N 3.5Å; K112-H123 VanDerWaalsContact CD-NE2 3.33Å; K112-H123 WeakPolarHBondContact CD-NE2 3.24Å
113	C	93.2	Very high	85.7	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.02	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-11.3	-179	-66.2	0	0	0	0	113.7	K88 G89 C110 S115 H123	K88-C113 WeakPolarHBondContact CA-O 3.48Å; K88-C113 HydrophobicContact CG-CB 4.27Å; G89-C113 PolarHBondContact N-O 3.37Å; C110-C113 HydrophobicContact CB-CB 4.06Å; C110-C113 PolarHBondContact O-N 3.36Å; C110-C113 PolarHBondContact SG-N 2.95Å; C110-C113 VanDerWaalsContact SG-N 3.4Å; C113-S115 VanDerWaalsContact CB-OG 3.31Å; C113-S115 WeakPolarHBondContact CB-OG 3.36Å; C113-S115 PolarHBondContact O-N 3.43Å; C113-H123 PolarHBondContact SG-CE1 3.27Å; C113-H123 PolarHBondContact SG-ND1 2.93Å
114	Y	92.1	Very high	87.2	Confident	145 Å²	145	68.5 Å²	68.5	57%	0.569	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	40.8	-169.7	-64.3	-83.3	0	0	0	111.9	G89 N90 A91 C110 A111	G89-Y114 CarbonylContact C-O 3.32Å; G89-Y114 WeakPolarHBondContact CA-O 3.24Å; G89-Y114 PolarHBondContact N-O 3Å; N90-Y114 PolarHBondContact N-O 3.41Å; A91-Y114 VanDerWaalsContact CB-O 3.31Å; A91-Y114 WeakPolarHBondContact CB-O 3.28Å; A91-Y114 PolarHBondContact N-O 2.85Å; C110-Y114 WeakPolarHBondContact O-CA 3.46Å; C110-Y114 PolarHBondContact O-N 2.55Å; A111-Y114 WeakPolarHBondContact O-CE2 3.46Å
115	S	89.8	Confident	88.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.3	-174.5	65.3	0	0	0	0	111.7	P87 N90 R109 C110 C113 K117	P87-S115 VanDerWaalsContact O-CB 3.29Å; P87-S115 WeakPolarHBondContact O-CB 3.26Å; N90-S115 WeakPolarHBondContact OD1-CA 3.24Å; N90-S115 WeakPolarHBondContact OD1-CB 3.35Å; R109-S115 WeakPolarHBondContact CA-O 3.42Å; C110-S115 PolarHBondContact N-O 3.28Å; C113-S115 VanDerWaalsContact CB-OG 3.31Å; C113-S115 WeakPolarHBondContact CB-OG 3.36Å; C113-S115 PolarHBondContact O-N 3.43Å; S115-K117 PolarHBondContact O-N 3.19Å
116	I	89.3	Confident	89.9	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.7	166.2	-55.1	-178.1	0	0	0	106.1	N90 A91 N95 I96 M99 F107 P118	N90-I116 PolarHBondContact OD1-N 3.4Å; A91-I116 HydrophobicContact CB-CG1 3.87Å; N95-I116 HydrophobicContact CB-CD1 4.03Å; I96-I116 HydrophobicContact CG1-CD1 4.24Å; M99-I116 HydrophobicContact CE-CG2 4.34Å; M99-I116 HydrophobicContact CG-CD1 3.84Å; F107-I116 HydrophobicContact CB-CG2 4.47Å; I116-P118 VanDerWaalsContact O-CD 3.31Å; I116-P118 WeakPolarHBondContact O-CD 3.22Å
117	K	88.6	Confident	91	Very high	58 Å²	58	58.6 Å²	58.6	25%	0.252	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.2	-176.7	-173.9	-172	177.9	-162.1	0	108	Y108 S115 A121	Y108-K117 VanDerWaalsContact O-CB 3.25Å; Y108-K117 WeakPolarHBondContact O-CB 3.48Å; Y108-K117 PolarHBondContact O-N 3.11Å; S115-K117 PolarHBondContact O-N 3.19Å; K117-A121 WeakPolarHBondContact CE-O 3.33Å; K117-A121 HydrophobicContact CG-CB 3.87Å; K117-A121 PolarHBondContact NZ-O 3.26Å
118	P	87.5	Confident	91.9	Very high	23 Å²	23	60.2 Å²	60.2	15%	0.149	29%	0.288	C	S	.	.			trans	-57.9	158.2	170.1	-21.8	34.3	0	0	0	110.7	V86 I116 R120 A121 R132	V86-P118 HydrophobicContact CG2-CG 3.98Å; I116-P118 VanDerWaalsContact O-CD 3.31Å; I116-P118 WeakPolarHBondContact O-CD 3.22Å; P118-R120 PolarHBondContact O-N 2.88Å; P118-A121 HydrophobicContact CB-CB 4.47Å; P118-A121 WeakPolarHBondContact O-CB 3.28Å; P118-A121 PolarHBondContact O-N 3.4Å; P118-R132 HydrophobicContact CG-CG 4.31Å
119	E	84.1	Confident	92.4	Very high	135 Å²	135	56.6 Å²	56.6	63%	0.631	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	141.8	171.6	-158.1	-174.5	156.7	0	0	109.9	A121 K241	E119-A121 PolarHBondContact O-N 3.07Å; E119-K241 WeakPolarHBondContact OE1-CE 3.28Å; E119-K241 IonicContact OE1-NZ 3.36Å
120	R	89.4	Confident	92.7	Very high	39 Å²	39	50.3 Å²	50.3	15%	0.147	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	-0.7	-179.6	-41.3	173.9	62.9	-174.3	-3.3	116.3	P118 H122 K133 D226 E231	P118-R120 PolarHBondContact O-N 2.88Å; R120-H122 PolarHBondContact O-CD2 2.93Å; R120-K133 VanDerWaalsContact NH1-CE 3.26Å; R120-D226 IonicContact CZ-OD1 3.26Å; R120-D226 VanDerWaalsContact NH1-CG 3.34Å; R120-D226 IonicContact NH1-OD1 2.83Å; R120-D226 PolarHBondContact NH1-OD1 3.43Å; R120-D226 IonicContact NH1-OD2 3.25Å; R120-D226 PolarHBondContact NH1-OD2 3.06Å; R120-D226 VanDerWaalsContact NH1-OD2 3.13Å; R120-D226 PolarHBondContact NH2-O 2.96Å; R120-D226 IonicContact NH2-OD1 2.75Å; R120-E231 WeakPolarHBondContact CD-OE1 3.39Å; R120-E231 VanDerWaalsContact CG-OE1 3.25Å; R120-E231 WeakPolarHBondContact CG-OE1 3.18Å; R120-E231 IonicContact CZ-OE1 3.42Å; R120-E231 IonicContact CZ-OE2 3.79Å; R120-E231 IonicContact NE-OE1 3.83Å; R120-E231 PolarHBondContact NE-OE1 2.63Å; R120-E231 IonicContact NE-OE2 3.19Å; R120-E231 PolarHBondContact NE-OE2 3.14Å; R120-E231 IonicContact NH2-OE1 3.14Å; R120-E231 IonicContact NH2-OE2 2.79Å; R120-E231 PolarHBondContact NH2-OE2 2.66Å
121	A	92.6	Very high	92.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.			trans	-68	160.5	171.8	0	0	0	0	0	110.1	V86 K117 P118 E119 I131	V86-A121 HydrophobicContact CG2-CB 4.42Å; K117-A121 WeakPolarHBondContact CE-O 3.33Å; K117-A121 HydrophobicContact CG-CB 3.87Å; K117-A121 PolarHBondContact NZ-O 3.26Å; P118-A121 HydrophobicContact CB-CB 4.47Å; P118-A121 WeakPolarHBondContact O-CB 3.28Å; P118-A121 PolarHBondContact O-N 3.4Å; E119-A121 PolarHBondContact O-N 3.07Å; A121-I131 CarbonylContact C-O 3.34Å; A121-I131 WeakPolarHBondContact CA-O 3.22Å; A121-I131 WeakPolarHBondContact CB-O 3.38Å
122	H	94.7	Very high	93	Very high	30 Å²	30	48 Å²	48	14%	0.139	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147	169.7	-71.3	-91.1	0	0	0	110.4	R120 C130 I131 M134 I230	R120-H122 PolarHBondContact O-CD2 2.93Å; H122-C130 CarbonylContact O-C 3.52Å; H122-C130 VanDerWaalsContact O-CA 3.28Å; H122-C130 WeakPolarHBondContact O-CA 3.33Å; H122-I131 PolarHBondContact N-O 3.08Å; H122-I131 PolarHBondContact O-N 3.48Å; H122-M134 HydrophobicContact CB-CB 3.97Å; H122-M134 HydrophobicContact CB-CG 4.38Å; H122-M134 HydrophobicContact CB-SD 3.73Å; H122-I230 HydrophobicContact CB-CD1 4Å; H122-I230 VanDerWaalsContact CE1-CG2 3.46Å; H122-I230 WeakPolarHBondContact CE1-CG2 3.28Å
123	H	95.9	Very high	93	Very high	50 Å²	50	44 Å²	44	23%	0.231	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117.7	176.9	-177.1	91.4	0	0	0	109.8	C110 K112 C113	C110-H123 PolarHBondContact SG-ND1 2.75Å; C110-H123 VanDerWaalsContact SG-ND1 3.41Å; K112-H123 VanDerWaalsContact CD-NE2 3.33Å; K112-H123 WeakPolarHBondContact CD-NE2 3.24Å; C113-H123 PolarHBondContact SG-CE1 3.27Å; C113-H123 PolarHBondContact SG-ND1 2.93Å
124	C	96.7	Very high	93	Very high	7 Å²	7	44.6 Å²	44.6	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.6	170.4	-179.5	0	0	0	0	109.5	I126 C127 Q128 R129 M134 C144	C124-I126 VanDerWaalsContact C-N 3.26Å; C124-I126 PolarHBondContact O-N 3.48Å; C124-I126 PolarHBondContact SG-N 3.44Å; C124-I126 VanDerWaalsContact SG-N 3.43Å; C124-C127 HydrophobicContact CB-CB 4.11Å; C124-C127 PolarHBondContact SG-N 3.34Å; C124-C127 VanDerWaalsContact SG-N 3.37Å; C124-Q128 WeakPolarHBondContact O-CA 3.45Å; C124-Q128 PolarHBondContact O-N 2.85Å; C124-R129 PolarHBondContact N-O 2.94Å; C124-R129 PolarHBondContact O-N 3.43Å; C124-M134 HydrophobicContact CB-CE 3.86Å; C124-M134 HydrophobicContact CB-SD 4.1Å; C124-C144 VanDerWaalsContact CB-SG 3.58Å
125	S	96	Very high	93.2	Very high	72 Å²	72	37.9 Å²	37.9	50%	0.503	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23	175.6	47.8	0	0	0	0	113.3	Q128	S125-Q128 PolarHBondContact O-NE2 3.37Å
126	I	96.7	Very high	93.5	Very high	73 Å²	73	40.6 Å²	40.6	37%	0.374	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-53.7	178.3	-57.1	167.4	0	0	0	109.3	V19 D21 C124 Q128 H137	V19-I126 HydrophobicContact CG1-CG2 4.45Å; D21-I126 HydrophobicContact CB-CG2 3.74Å; C124-I126 VanDerWaalsContact C-N 3.26Å; C124-I126 PolarHBondContact O-N 3.48Å; C124-I126 PolarHBondContact SG-N 3.44Å; C124-I126 VanDerWaalsContact SG-N 3.43Å; I126-Q128 PolarHBondContact O-N 3.18Å; I126-H137 HydrophobicContact CD1-CB 4.37Å; I126-H137 VanDerWaalsContact CD1-CD2 3.45Å; I126-H137 WeakPolarHBondContact CD1-CD2 3.44Å
127	C	96.1	Very high	93.9	Very high	12 Å²	12	41.5 Å²	41.5	8%	0.081	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.8	177.4	-58.5	0	0	0	0	114.2	V19 C124 R129 H137 C144	V19-C127 HydrophobicContact CG2-CB 4.43Å; C124-C127 HydrophobicContact CB-CB 4.11Å; C124-C127 PolarHBondContact SG-N 3.34Å; C124-C127 VanDerWaalsContact SG-N 3.37Å; C127-R129 PolarHBondContact O-N 3.45Å; C127-H137 PolarHBondContact SG-ND1 2.8Å; C127-C144 PolarHBondContact SG-SG 2.87Å
128	Q	95.5	Very high	94.3	Very high	96 Å²	96	39.3 Å²	39.3	45%	0.449	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	39.7	-178.4	-68.2	-70.7	-34.8	0	0	113	K88 C124 S125 I126	K88-Q128 WeakPolarHBondContact CE-O 3.46Å; K88-Q128 PolarHBondContact NZ-O 3.47Å; C124-Q128 WeakPolarHBondContact O-CA 3.45Å; C124-Q128 PolarHBondContact O-N 2.85Å; S125-Q128 PolarHBondContact O-NE2 3.37Å; I126-Q128 PolarHBondContact O-N 3.18Å
129	R	95.3	Very high	94.8	Very high	78 Å²	78	40.4 Å²	40.4	29%	0.294	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.2	-177.7	-70.2	-63.8	-170.6	-69.8	-2.8	110.6	W17 A85 C124 C127 I131	W17-R129 HydrophobicContact CH2-CB 4.28Å; W17-R129 HydrophobicContact CH2-CG 3.89Å; W17-R129 HydrophobicContact CZ3-CG 4.39Å; A85-R129 HydrophobicContact CB-CB 4.24Å; A85-R129 HydrophobicContact CB-CG 4.34Å; C124-R129 PolarHBondContact N-O 2.94Å; C124-R129 PolarHBondContact O-N 3.43Å; C127-R129 PolarHBondContact O-N 3.45Å; R129-I131 HydrophobicContact CB-CD1 3.8Å
130	C	95.7	Very high	95.4	Very high	1 Å²	1	39 Å²	39	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	130.5	161.4	-71.9	0	0	0	0	109.2	A85 V86 C110 H122	A85-C130 CarbonylContact C-O 3.22Å; A85-C130 WeakPolarHBondContact CA-O 3.32Å; V86-C130 HydrophobicContact CB-CB 3.98Å; V86-C130 HydrophobicContact CG2-CB 3.92Å; V86-C130 PolarHBondContact N-O 2.84Å; C110-C130 VanDerWaalsContact CB-SG 3.52Å; H122-C130 CarbonylContact O-C 3.52Å; H122-C130 VanDerWaalsContact O-CA 3.28Å; H122-C130 WeakPolarHBondContact O-CA 3.33Å
131	I	95.8	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.5	-179.3	-51.4	-50.1	0	0	0	108.6	W17 P83 A85 A121 H122 R129 M134 C144	W17-I131 HydrophobicContact CH2-CD1 4.38Å; P83-I131 HydrophobicContact CB-CG2 4.01Å; P83-I131 HydrophobicContact CG-CD1 3.86Å; P83-I131 HydrophobicContact CG-CG1 4.39Å; P83-I131 HydrophobicContact CG-CG2 4.04Å; A85-I131 HydrophobicContact CB-CD1 3.96Å; A121-I131 CarbonylContact C-O 3.34Å; A121-I131 WeakPolarHBondContact CA-O 3.22Å; A121-I131 WeakPolarHBondContact CB-O 3.38Å; H122-I131 PolarHBondContact N-O 3.08Å; H122-I131 PolarHBondContact O-N 3.48Å; R129-I131 HydrophobicContact CB-CD1 3.8Å; I131-M134 HydrophobicContact CB-CB 4.02Å; I131-M134 HydrophobicContact CB-CG 4.21Å; I131-M134 HydrophobicContact CB-SD 4.36Å; I131-M134 HydrophobicContact CG2-CB 4.28Å; I131-C144 HydrophobicContact CG1-CB 3.96Å; I131-C144 HydrophobicContact CG2-CB 4.28Å
132	R	94	Very high	96.1	Very high	41 Å²	41	37.2 Å²	37.2	16%	0.155	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	141.4	175.6	-68.4	177.8	-66.9	133.2	-3.3	111	G84 V86 P118 M134 E147 S148	G84-R132 WeakPolarHBondContact O-CB 3.3Å; G84-R132 WeakPolarHBondContact O-CG 3.26Å; G84-R132 PolarHBondContact O-N 3.34Å; G84-R132 PolarHBondContact O-NE 3.37Å; V86-R132 HydrophobicContact CG2-CG 3.96Å; P118-R132 HydrophobicContact CG-CG 4.31Å; R132-M134 PolarHBondContact O-N 2.87Å; R132-M134 VanDerWaalsContact O-N 3.13Å; R132-E147 HydrophobicContact CB-CB 4.44Å; R132-E147 WeakPolarHBondContact CB-OE2 3.19Å; R132-E147 IonicContact CZ-OE2 3.59Å; R132-E147 IonicContact NE-OE2 3.74Å; R132-E147 IonicContact NH1-OE2 2.72Å; R132-E147 PolarHBondContact NH1-OE2 3.43Å; R132-E147 PolarHBondContact O-N 3.06Å; R132-S148 PolarHBondContact NH2-OG 3.28Å
133	K	93	Very high	96.3	Very high	50 Å²	50	35.8 Å²	35.8	22%	0.217	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	37.7	50.9	-172	-59.6	-168.5	178.5	-166.4	0	111.7	R120 D135 E147 D226 T228	R120-K133 VanDerWaalsContact NH1-CE 3.26Å; K133-D135 PolarHBondContact O-N 2.93Å; K133-E147 HydrophobicContact CB-CB 4.14Å; K133-E147 HydrophobicContact CD-CG 4.36Å; K133-E147 HydrophobicContact CG-CB 4.45Å; K133-D226 IonicContact NZ-OD1 3.76Å; K133-D226 PolarHBondContact NZ-OD1 3.33Å; K133-T228 HydrophobicContact CB-CG2 4.22Å
134	M	94.5	Very high	96.4	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.079	16%	0.163	C	C	.	.			trans	-64.3	126.4	-177.8	-176.1	176.5	167.8	0	0	109.2	H122 C124 I131 R132 H137 T228 I230	H122-M134 HydrophobicContact CB-CB 3.97Å; H122-M134 HydrophobicContact CB-CG 4.38Å; H122-M134 HydrophobicContact CB-SD 3.73Å; C124-M134 HydrophobicContact CB-CE 3.86Å; C124-M134 HydrophobicContact CB-SD 4.1Å; I131-M134 HydrophobicContact CB-CB 4.02Å; I131-M134 HydrophobicContact CB-CG 4.21Å; I131-M134 HydrophobicContact CB-SD 4.36Å; I131-M134 HydrophobicContact CG2-CB 4.28Å; R132-M134 PolarHBondContact O-N 2.87Å; R132-M134 VanDerWaalsContact O-N 3.13Å; M134-H137 HydrophobicContact CE-CB 4.49Å; M134-T228 WeakPolarHBondContact O-CB 3.37Å; M134-T228 PolarHBondContact O-OG1 3.48Å; M134-I230 HydrophobicContact CB-CD1 4.36Å; M134-I230 HydrophobicContact CG-CD1 4.25Å
135	D	95.1	Very high	96.4	Very high	5 Å²	5	33 Å²	33	3%	0.027	16%	0.16	C	C	.	.			trans	-90.6	-65	171.9	-170.9	64.7	0	0	0	110.1	K133 V145 Q219 T229 I230	K133-D135 PolarHBondContact O-N 2.93Å; D135-V145 HydrophobicContact CB-CB 4.34Å; D135-V145 HydrophobicContact CB-CG1 4.33Å; D135-V145 PolarHBondContact N-O 3.32Å; D135-Q219 PolarHBondContact OD2-OE1 3.2Å; D135-T229 VanDerWaalsContact OD1-CB 3.26Å; D135-T229 WeakPolarHBondContact OD1-CB 3.13Å; D135-T229 PolarHBondContact OD1-N 2.87Å; D135-T229 PolarHBondContact OD1-OG1 2.84Å; D135-T229 PolarHBondContact OD2-OG1 2.86Å; D135-I230 WeakPolarHBondContact O-CG1 3.17Å
136	H	96.1	Very high	96.4	Very high	57 Å²	57	29.7 Å²	29.7	26%	0.264	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	174.6	173.8	63.2	-79.6	0	0	0	111.8	C138 C144 V145 F153	H136-C138 WeakPolarHBondContact NE2-CB 3.26Å; H136-C144 CarbonylContact O-C 3.57Å; H136-C144 WeakPolarHBondContact O-CA 3.35Å; H136-V145 PolarHBondContact O-N 2.89Å; H136-F153 AromaticContact CE1-CE1 3.96Å; H136-F153 AromaticContact CE1-CZ 3.9Å; H136-F153 AromaticContact NE2-CZ 3.94Å
137	H	97.5	Very high	96.3	Very high	28 Å²	28	29.6 Å²	29.6	13%	0.13	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.6	163	-178	91.2	0	0	0	108.7	I126 C127 M134	I126-H137 HydrophobicContact CD1-CB 4.37Å; I126-H137 VanDerWaalsContact CD1-CD2 3.45Å; I126-H137 WeakPolarHBondContact CD1-CD2 3.44Å; C127-H137 PolarHBondContact SG-ND1 2.8Å; M134-H137 HydrophobicContact CE-CB 4.49Å
138	C	97.8	Very high	96.2	Very high	13 Å²	13	29.8 Å²	29.8	9%	0.088	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110.7	-177.5	-178.8	0	0	0	0	109.9	H136 W140 V141 N142 N143 V145	H136-C138 WeakPolarHBondContact NE2-CB 3.26Å; C138-W140 VanDerWaalsContact C-N 3.27Å; C138-W140 PolarHBondContact O-N 3.26Å; C138-V141 HydrophobicContact CB-CG2 3.65Å; C138-V141 WeakPolarHBondContact O-CG2 3.41Å; C138-V141 PolarHBondContact O-N 2.86Å; C138-N142 PolarHBondContact O-N 3.44Å; C138-N142 VanDerWaalsContact O-N 3.16Å; C138-N143 PolarHBondContact N-O 3.45Å; C138-N143 PolarHBondContact O-N 2.9Å; C138-V145 HydrophobicContact CB-CG2 4.39Å
139	P	97.7	Very high	96.2	Very high	46 Å²	46	25.2 Å²	25.2	30%	0.299	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-58.3	-37.4	178.2	-26.5	35.7	0	0	0	112.9	G24 C27 V141 N142	G24-P139 WeakPolarHBondContact CA-O 3.21Å; C27-P139 HydrophobicContact CB-CB 4.19Å; C27-P139 WeakPolarHBondContact CB-O 3.27Å; P139-V141 PolarHBondContact O-N 2.85Å; P139-V141 VanDerWaalsContact O-N 3.13Å; P139-N142 PolarHBondContact O-N 3.26Å
140	W	98.1	Very high	96.3	Very high	106 Å²	106	22.8 Å²	22.8	40%	0.402	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-63.5	-19.5	-178.3	-61.2	102.9	0	0	0	114.8	C27 M30 T31 H75 C138	C27-W140 HydrophobicContact CB-CD2 4.27Å; C27-W140 HydrophobicContact CB-CE3 4.04Å; M30-W140 HydrophobicContact CB-CZ3 4.2Å; M30-W140 HydrophobicContact CG-CZ3 4.04Å; T31-W140 PolarHBondContact OG1-O 3.31Å; H75-W140 PolarHBondContact NE2-O 3.22Å; C138-W140 VanDerWaalsContact C-N 3.27Å; C138-W140 PolarHBondContact O-N 3.26Å
141	V	98.1	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-114.7	8.4	172.2	-58.2	0	0	0	0	112	T78 M79 C138 P139 N143 F153 F156	T78-V141 HydrophobicContact CG2-CB 3.92Å; T78-V141 HydrophobicContact CG2-CG1 4.05Å; T78-V141 HydrophobicContact CG2-CG2 3.85Å; M79-V141 WeakPolarHBondContact CA-O 3.37Å; M79-V141 VanDerWaalsContact CB-O 3.26Å; M79-V141 WeakPolarHBondContact CB-O 3.35Å; M79-V141 WeakPolarHBondContact CG-O 3.4Å; C138-V141 HydrophobicContact CB-CG2 3.65Å; C138-V141 WeakPolarHBondContact O-CG2 3.41Å; C138-V141 PolarHBondContact O-N 2.86Å; P139-V141 PolarHBondContact O-N 2.85Å; P139-V141 VanDerWaalsContact O-N 3.13Å; V141-N143 HydrophobicContact CG2-CB 4.37Å; V141-N143 PolarHBondContact O-N 3.28Å; V141-F153 HydrophobicContact CG1-CD2 4.32Å; V141-F153 HydrophobicContact CG1-CE2 4.45Å; V141-F156 HydrophobicContact CG1-CD1 4Å; V141-F156 HydrophobicContact CG1-CE1 3.93Å
142	N	98.3	Very high	96.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	45	40	-177.8	-171.1	30.2	0	0	0	113.6	V19 G24 I25 A28 M79 C138 P139	V19-N142 WeakPolarHBondContact CB-O 3.33Å; V19-N142 WeakPolarHBondContact CG2-O 3.46Å; V19-N142 PolarHBondContact O-ND2 2.7Å; V19-N142 PolarHBondContact O-OD1 2.93Å; G24-N142 WeakPolarHBondContact CA-OD1 3.43Å; I25-N142 WeakPolarHBondContact CG1-ND2 3.29Å; A28-N142 HydrophobicContact CB-CB 4.46Å; M79-N142 HydrophobicContact CE-CB 4.16Å; M79-N142 HydrophobicContact CG-CB 4.3Å; C138-N142 PolarHBondContact O-N 3.44Å; C138-N142 VanDerWaalsContact O-N 3.16Å; P139-N142 PolarHBondContact O-N 3.26Å
143	N	98	Very high	96.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	161.3	-175.1	-156.5	3.9	0	0	0	112.1	W17 T78 M79 T81 C138 V141 N149	W17-N143 PolarHBondContact NE1-ND2 3.45Å; W17-N143 PolarHBondContact NE1-OD1 3.41Å; T78-N143 PolarHBondContact O-ND2 3.31Å; M79-N143 PolarHBondContact O-ND2 3.34Å; T81-N143 PolarHBondContact O-ND2 2.88Å; C138-N143 PolarHBondContact N-O 3.45Å; C138-N143 PolarHBondContact O-N 2.9Å; V141-N143 HydrophobicContact CG2-CB 4.37Å; V141-N143 PolarHBondContact O-N 3.28Å; N143-N149 PolarHBondContact ND2-ND2 2.91Å
144	C	98.1	Very high	96.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.6	162.4	-76.4	0	0	0	0	110.8	P83 C124 C127 I131 H136 N149	P83-C144 HydrophobicContact CB-CB 4.13Å; P83-C144 VanDerWaalsContact CB-O 3.24Å; P83-C144 WeakPolarHBondContact CB-O 3.5Å; P83-C144 HydrophobicContact CG-CB 3.99Å; C124-C144 VanDerWaalsContact CB-SG 3.58Å; C127-C144 PolarHBondContact SG-SG 2.87Å; I131-C144 HydrophobicContact CG1-CB 3.96Å; I131-C144 HydrophobicContact CG2-CB 4.28Å; H136-C144 CarbonylContact O-C 3.57Å; H136-C144 WeakPolarHBondContact O-CA 3.35Å; C144-N149 PolarHBondContact O-ND2 3.29Å; C144-N149 PolarHBondContact O-OD1 2.72Å
145	V	97.8	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.8	162.3	-176.6	0	0	0	0	107	D135 H136 C138 Q150 F153	D135-V145 HydrophobicContact CB-CB 4.34Å; D135-V145 HydrophobicContact CB-CG1 4.33Å; D135-V145 PolarHBondContact N-O 3.32Å; H136-V145 PolarHBondContact O-N 2.89Å; C138-V145 HydrophobicContact CB-CG2 4.39Å; V145-Q150 HydrophobicContact CG1-CG 4.43Å; V145-F153 HydrophobicContact CG1-CB 4.11Å; V145-F153 HydrophobicContact CG1-CD1 3.87Å; V145-F153 HydrophobicContact CG1-CG 4.06Å; V145-F153 HydrophobicContact CG2-CB 4.23Å; V145-F153 HydrophobicContact CG2-CD1 3.9Å; V145-F153 HydrophobicContact CG2-CD2 3.72Å; V145-F153 HydrophobicContact CG2-CE1 4.14Å; V145-F153 HydrophobicContact CG2-CE2 3.96Å; V145-F153 HydrophobicContact CG2-CG 3.67Å; V145-F153 HydrophobicContact CG2-CZ 4.16Å
146	G	95.7	Very high	97.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	9%	0.094	C	C	.	.			trans	-147.3	-174.3	-178.9	0	0	0	0	0	111.7	P83 S148 N149 Q150	P83-G146 CarbonylContact O-C 3.44Å; P83-G146 VanDerWaalsContact O-C 3.22Å; P83-G146 WeakPolarHBondContact O-CA 3.29Å; G146-S148 PolarHBondContact O-N 3.14Å; G146-N149 PolarHBondContact N-OD1 3.48Å; G146-N149 PolarHBondContact O-N 2.89Å; G146-N149 PolarHBondContact O-OD1 3.4Å; G146-N149 VanDerWaalsContact O-OD1 3.13Å; G146-Q150 WeakPolarHBondContact O-CB 3.28Å; G146-Q150 PolarHBondContact O-N 2.77Å
147	E	94	Very high	97.3	Very high	72 Å²	72	17 Å²	17	34%	0.336	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-40.1	-172.1	-172.7	168.2	-146.5	0	0	114.4	P83 R132 K133	P83-E147 PolarHBondContact O-N 3.44Å; R132-E147 HydrophobicContact CB-CB 4.44Å; R132-E147 WeakPolarHBondContact CB-OE2 3.19Å; R132-E147 IonicContact CZ-OE2 3.59Å; R132-E147 IonicContact NE-OE2 3.74Å; R132-E147 IonicContact NH1-OE2 2.72Å; R132-E147 PolarHBondContact NH1-OE2 3.43Å; R132-E147 PolarHBondContact O-N 3.06Å; K133-E147 HydrophobicContact CB-CB 4.14Å; K133-E147 HydrophobicContact CD-CG 4.36Å; K133-E147 HydrophobicContact CG-CB 4.45Å
148	S	94.1	Very high	97.4	Very high	16 Å²	16	18.2 Å²	18.2	11%	0.112	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-13.8	-171.6	-67.6	0	0	0	0	114.9	D82 P83 R132 G146	D82-S148 WeakPolarHBondContact O-CB 3.28Å; P83-S148 PolarHBondContact O-N 3.45Å; R132-S148 PolarHBondContact NH2-OG 3.28Å; G146-S148 PolarHBondContact O-N 3.14Å
149	N	95.8	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	0.8	-179.2	74.2	-16.5	0	0	0	114.3	T78 T81 N143 C144 G146 K151 Y152 F153	T78-N149 PolarHBondContact O-ND2 3.28Å; T81-N149 HydrophobicContact CG2-CB 4.16Å; N143-N149 PolarHBondContact ND2-ND2 2.91Å; C144-N149 PolarHBondContact O-ND2 3.29Å; C144-N149 PolarHBondContact O-OD1 2.72Å; G146-N149 PolarHBondContact N-OD1 3.48Å; G146-N149 PolarHBondContact O-N 2.89Å; G146-N149 PolarHBondContact O-OD1 3.4Å; G146-N149 VanDerWaalsContact O-OD1 3.13Å; N149-K151 VanDerWaalsContact C-N 3.27Å; N149-K151 PolarHBondContact O-N 3.41Å; N149-Y152 HydrophobicContact CB-CD2 4.12Å; N149-Y152 PolarHBondContact O-N 3.33Å; N149-F153 PolarHBondContact O-N 3.48Å
150	Q	96.4	Very high	97.5	Very high	27 Å²	27	16.8 Å²	16.8	13%	0.126	8%	0.075	C	C	.	.	H	α-helix	trans	-55.1	-39	180	-169	175.5	23.7	0	0	113.1	V145 G146 Y152 F153 V154 I223 V253	V145-Q150 HydrophobicContact CG1-CG 4.43Å; G146-Q150 WeakPolarHBondContact O-CB 3.28Å; G146-Q150 PolarHBondContact O-N 2.77Å; Q150-Y152 VanDerWaalsContact C-N 3.35Å; Q150-Y152 PolarHBondContact O-N 2.9Å; Q150-F153 PolarHBondContact O-N 3.34Å; Q150-V154 WeakPolarHBondContact O-CG2 3.33Å; Q150-V154 PolarHBondContact O-N 3.02Å; Q150-I223 HydrophobicContact CG-CD1 4.27Å; Q150-V253 HydrophobicContact CB-CG1 4.23Å; Q150-V253 HydrophobicContact CG-CG1 4.29Å
151	K	96.4	Very high	97.5	Very high	6 Å²	6	12 Å²	12	3%	0.026	6%	0.058	C	C	.	.	H	α-helix	trans	-52.1	-53	174	173.7	-178.3	174.3	-176.9	0	111.2	N149 F153 V154 L155 V253 F254 E261 W262 N264 V267 P269	N149-K151 VanDerWaalsContact C-N 3.27Å; N149-K151 PolarHBondContact O-N 3.41Å; K151-F153 VanDerWaalsContact C-N 3.3Å; K151-F153 PolarHBondContact O-N 3.36Å; K151-V154 PolarHBondContact O-N 3.43Å; K151-L155 HydrophobicContact CG-CD1 4.04Å; K151-L155 HydrophobicContact CG-CG 4.41Å; K151-L155 WeakPolarHBondContact O-CG 3.44Å; K151-L155 PolarHBondContact O-N 3.33Å; K151-V253 HydrophobicContact CB-CG1 4.11Å; K151-F254 HydrophobicContact CD-CD1 4.5Å; K151-F254 HydrophobicContact CG-CD1 3.96Å; K151-F254 HydrophobicContact CG-CE1 4.31Å; K151-E261 PolarHBondContact NZ-O 3.39Å; K151-W262 WeakPolarHBondContact CE-O 3.49Å; K151-N264 PolarHBondContact NZ-O 2.85Å; K151-N264 VanDerWaalsContact NZ-O 3.12Å; K151-V267 PolarHBondContact NZ-O 3.4Å; K151-P269 HydrophobicContact CB-CG 4.24Å; K151-P269 HydrophobicContact CD-CG 3.64Å
152	Y	98	Very high	97.5	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.016	7%	0.072	C	C	.	.	H	α-helix	trans	-66.7	-35.9	-174.7	-49.7	-60	0	0	0	111.4	K77 T78 T81 N149 Q150 L155 F156 P265 V268	K77-Y152 HydrophobicContact CB-CD1 3.71Å; K77-Y152 HydrophobicContact CB-CD2 4.05Å; K77-Y152 HydrophobicContact CB-CE1 4.21Å; K77-Y152 HydrophobicContact CB-CG 3.62Å; K77-Y152 HydrophobicContact CD-CE1 4.37Å; K77-Y152 HydrophobicContact CG-CD1 4.27Å; K77-Y152 HydrophobicContact CG-CE1 4.41Å; T78-Y152 VanDerWaalsContact OG1-CB 3.24Å; T78-Y152 WeakPolarHBondContact OG1-CB 3.46Å; T78-Y152 PolarHBondContact OG1-O 3Å; T81-Y152 HydrophobicContact CG2-CE2 4.12Å; N149-Y152 HydrophobicContact CB-CD2 4.12Å; N149-Y152 PolarHBondContact O-N 3.33Å; Q150-Y152 VanDerWaalsContact C-N 3.35Å; Q150-Y152 PolarHBondContact O-N 2.9Å; Y152-L155 PolarHBondContact O-N 3.03Å; Y152-F156 WeakPolarHBondContact O-CB 3.26Å; Y152-F156 PolarHBondContact O-N 3.23Å; Y152-P265 VanDerWaalsContact CE1-O 3.24Å; Y152-P265 WeakPolarHBondContact CE1-O 2.95Å; Y152-V268 WeakPolarHBondContact OH-CA 3.05Å
153	F	98.3	Very high	97.6	Very high	9 Å²	9	15.1 Å²	15.1	4%	0.039	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-41.8	175.7	-176.9	-107.9	0	0	0	111.9	T78 H136 V141 V145 N149 Q150 K151 F156 A157 I215 Q219	T78-F153 HydrophobicContact CG2-CB 3.85Å; T78-F153 HydrophobicContact CG2-CD2 4.05Å; T78-F153 HydrophobicContact CG2-CG 4.43Å; T78-F153 WeakPolarHBondContact OG1-CA 3.48Å; T78-F153 PolarHBondContact OG1-N 2.81Å; T78-F153 VanDerWaalsContact OG1-N 3.11Å; H136-F153 AromaticContact CE1-CE1 3.96Å; H136-F153 AromaticContact CE1-CZ 3.9Å; H136-F153 AromaticContact NE2-CZ 3.94Å; V141-F153 HydrophobicContact CG1-CD2 4.32Å; V141-F153 HydrophobicContact CG1-CE2 4.45Å; V145-F153 HydrophobicContact CG1-CB 4.11Å; V145-F153 HydrophobicContact CG1-CD1 3.87Å; V145-F153 HydrophobicContact CG1-CG 4.06Å; V145-F153 HydrophobicContact CG2-CB 4.23Å; V145-F153 HydrophobicContact CG2-CD1 3.9Å; V145-F153 HydrophobicContact CG2-CD2 3.72Å; V145-F153 HydrophobicContact CG2-CE1 4.14Å; V145-F153 HydrophobicContact CG2-CE2 3.96Å; V145-F153 HydrophobicContact CG2-CG 3.67Å; V145-F153 HydrophobicContact CG2-CZ 4.16Å; N149-F153 PolarHBondContact O-N 3.48Å; Q150-F153 PolarHBondContact O-N 3.34Å; K151-F153 VanDerWaalsContact C-N 3.3Å; K151-F153 PolarHBondContact O-N 3.36Å; F153-F156 PolarHBondContact O-N 3.03Å; F153-A157 PolarHBondContact O-N 3.35Å; F153-I215 HydrophobicContact CE1-CG2 3.82Å; F153-I215 HydrophobicContact CZ-CG2 3.85Å; F153-Q219 HydrophobicContact CD1-CG 3.9Å; F153-Q219 HydrophobicContact CE1-CG 3.73Å
154	V	98.1	Very high	97.6	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-64.1	-44.1	174.9	175.3	0	0	0	0	111.4	Q150 K151 F156 A157 F158 F216 Q219 M220 I223 F254	Q150-V154 WeakPolarHBondContact O-CG2 3.33Å; Q150-V154 PolarHBondContact O-N 3.02Å; K151-V154 PolarHBondContact O-N 3.43Å; V154-F156 VanDerWaalsContact C-N 3.32Å; V154-F156 PolarHBondContact O-N 2.85Å; V154-A157 PolarHBondContact O-N 2.98Å; V154-F158 WeakPolarHBondContact O-CB 3.36Å; V154-F158 PolarHBondContact O-N 3.39Å; V154-F216 HydrophobicContact CG1-CD2 3.78Å; V154-F216 HydrophobicContact CG1-CE2 3.62Å; V154-Q219 HydrophobicContact CG2-CB 3.72Å; V154-Q219 HydrophobicContact CG2-CG 4.3Å; V154-M220 HydrophobicContact CG1-SD 3.87Å; V154-I223 HydrophobicContact CG2-CD1 3.82Å; V154-F254 HydrophobicContact CB-CE1 4.48Å; V154-F254 HydrophobicContact CB-CZ 4.32Å; V154-F254 HydrophobicContact CG1-CE1 4.28Å; V154-F254 HydrophobicContact CG1-CZ 3.92Å
155	L	98.5	Very high	97.6	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-63.4	-39	175.9	-68.3	-179.4	0	0	0	112	K151 Y152 F158 Y159 L263 P265	K151-L155 HydrophobicContact CG-CD1 4.04Å; K151-L155 HydrophobicContact CG-CG 4.41Å; K151-L155 WeakPolarHBondContact O-CG 3.44Å; K151-L155 PolarHBondContact O-N 3.33Å; Y152-L155 PolarHBondContact O-N 3.03Å; L155-F158 PolarHBondContact O-N 3.28Å; L155-Y159 HydrophobicContact CB-CD2 4.13Å; L155-Y159 HydrophobicContact CB-CE2 4.01Å; L155-Y159 HydrophobicContact CD2-CE2 4.16Å; L155-Y159 HydrophobicContact CG-CE2 4.5Å; L155-Y159 WeakPolarHBondContact O-CB 3.29Å; L155-Y159 WeakPolarHBondContact O-CD2 3.04Å; L155-Y159 PolarHBondContact O-N 2.95Å; L155-L263 HydrophobicContact CD2-CD2 4.18Å; L155-P265 HydrophobicContact CD1-CB 4.08Å
156	F	98.7	Very high	97.7	Very high	22 Å²	22	20.8 Å²	20.8	10%	0.096	10%	0.103	C	C	.	.	H	α-helix	trans	-59.6	-51.1	174.7	172.3	-125.3	0	0	0	111.1	T31 H75 V141 Y152 F153 V154 F158 Y159 I160	T31-F156 HydrophobicContact CG2-CE2 4.5Å; T31-F156 HydrophobicContact CG2-CZ 4.06Å; H75-F156 HydrophobicContact CB-CD2 3.76Å; H75-F156 HydrophobicContact CB-CE2 3.81Å; H75-F156 HydrophobicContact CB-CG 4.36Å; H75-F156 HydrophobicContact CB-CZ 4.45Å; H75-F156 AromaticContact CD2-CE1 3.91Å; H75-F156 AromaticContact CD2-CE2 3.8Å; H75-F156 AromaticContact CD2-CZ 3.58Å; V141-F156 HydrophobicContact CG1-CD1 4Å; V141-F156 HydrophobicContact CG1-CE1 3.93Å; Y152-F156 WeakPolarHBondContact O-CB 3.26Å; Y152-F156 PolarHBondContact O-N 3.23Å; F153-F156 PolarHBondContact O-N 3.03Å; V154-F156 VanDerWaalsContact C-N 3.32Å; V154-F156 PolarHBondContact O-N 2.85Å; F156-F158 VanDerWaalsContact C-N 3.32Å; F156-F158 PolarHBondContact O-N 2.89Å; F156-Y159 PolarHBondContact O-N 2.94Å; F156-I160 HydrophobicContact CD2-CD1 4.37Å; F156-I160 HydrophobicContact CD2-CG1 3.74Å; F156-I160 HydrophobicContact CE2-CD1 3.74Å; F156-I160 HydrophobicContact CE2-CG1 3.38Å; F156-I160 HydrophobicContact CZ-CD1 4.48Å; F156-I160 HydrophobicContact CZ-CG1 4Å; F156-I160 VanDerWaalsContact O-CG1 3.29Å; F156-I160 WeakPolarHBondContact O-CG1 3.48Å; F156-I160 PolarHBondContact O-N 3.38Å
157	A	98.7	Very high	97.8	Very high	3 Å²	3	21 Å²	21	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-59.5	-42.9	176.2	0	0	0	0	0	112.2	F153 V154 A161 I215 F216	F153-A157 PolarHBondContact O-N 3.35Å; V154-A157 PolarHBondContact O-N 2.98Å; A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.16Å; A157-I215 HydrophobicContact CB-CG2 4.21Å; A157-F216 HydrophobicContact CB-CB 4.08Å
158	F	98.6	Very high	98	Very high	54 Å²	54	19.5 Å²	19.5	24%	0.237	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-49.2	178.3	179.2	-111.4	0	0	0	112.8	V154 L155 F156 A161 L162 F216 L263	V154-F158 WeakPolarHBondContact O-CB 3.36Å; V154-F158 PolarHBondContact O-N 3.39Å; L155-F158 PolarHBondContact O-N 3.28Å; F156-F158 VanDerWaalsContact C-N 3.32Å; F156-F158 PolarHBondContact O-N 2.89Å; F158-A161 WeakPolarHBondContact O-CB 3.47Å; F158-A161 PolarHBondContact O-N 3.26Å; F158-L162 HydrophobicContact CD1-CD1 4.11Å; F158-L162 HydrophobicContact CE1-CD1 3.49Å; F158-L162 VanDerWaalsContact CE1-CD1 3.49Å; F158-L162 HydrophobicContact CE1-CG 4.38Å; F158-L162 HydrophobicContact CE2-CD1 4.17Å; F158-L162 HydrophobicContact CE2-CG 4.33Å; F158-L162 HydrophobicContact CZ-CD1 3.53Å; F158-L162 HydrophobicContact CZ-CG 4.18Å; F158-L162 WeakPolarHBondContact O-CG 3.35Å; F158-L162 PolarHBondContact O-N 3.47Å; F158-F216 HydrophobicContact CB-CD2 3.76Å; F158-F216 HydrophobicContact CB-CE2 3.75Å; F158-F216 HydrophobicContact CD2-CD2 4.3Å; F158-F216 HydrophobicContact CD2-CE1 4.37Å; F158-F216 AromaticContact CD2-CE2 3.82Å; F158-F216 HydrophobicContact CD2-CE2 3.82Å; F158-F216 AromaticContact CD2-CZ 3.84Å; F158-F216 HydrophobicContact CD2-CZ 3.84Å; F158-F216 HydrophobicContact CG-CD2 4.5Å; F158-F216 HydrophobicContact CG-CE2 4.1Å; F158-L263 HydrophobicContact CD1-CD2 4.48Å; F158-L263 HydrophobicContact CE1-CD2 4.11Å
159	Y	98.8	Very high	98.2	Very high	16 Å²	16	23.9 Å²	23.9	6%	0.063	11%	0.114	C	C	.	.	H	α-helix	trans	-71.9	-33.6	-177.5	-71.4	-55.3	0	0	0	112.8	L67 L70 L155 F156 L162 L163 L263	L67-Y159 HydrophobicContact CD2-CD1 4.12Å; L70-Y159 HydrophobicContact CB-CD1 3.91Å; L70-Y159 HydrophobicContact CB-CD2 3.78Å; L70-Y159 HydrophobicContact CB-CE1 3.97Å; L70-Y159 HydrophobicContact CB-CE2 3.84Å; L70-Y159 HydrophobicContact CB-CG 3.83Å; L70-Y159 HydrophobicContact CD1-CD1 4.21Å; L70-Y159 HydrophobicContact CD1-CE1 3.62Å; L70-Y159 HydrophobicContact CG-CE1 4.37Å; L155-Y159 HydrophobicContact CB-CD2 4.13Å; L155-Y159 HydrophobicContact CB-CE2 4.01Å; L155-Y159 HydrophobicContact CD2-CE2 4.16Å; L155-Y159 HydrophobicContact CG-CE2 4.5Å; L155-Y159 WeakPolarHBondContact O-CB 3.29Å; L155-Y159 WeakPolarHBondContact O-CD2 3.04Å; L155-Y159 PolarHBondContact O-N 2.95Å; F156-Y159 PolarHBondContact O-N 2.94Å; Y159-L162 HydrophobicContact CD1-CD1 4.33Å; Y159-L162 PolarHBondContact O-N 2.84Å; Y159-L163 WeakPolarHBondContact O-CB 3.48Å; Y159-L163 PolarHBondContact O-N 2.82Å; Y159-L263 WeakPolarHBondContact CE2-O 3.36Å; Y159-L263 PolarHBondContact OH-O 2.67Å
160	I	98.7	Very high	98.3	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.067	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-43.5	170.4	-64.6	-67.1	0	0	0	110.5	L35 A71 F156 L162 L163 S164 F208 T212	L35-I160 HydrophobicContact CD2-CD1 3.74Å; A71-I160 HydrophobicContact CB-CD1 3.81Å; A71-I160 HydrophobicContact CB-CG1 4.3Å; F156-I160 HydrophobicContact CD2-CD1 4.37Å; F156-I160 HydrophobicContact CD2-CG1 3.74Å; F156-I160 HydrophobicContact CE2-CD1 3.74Å; F156-I160 HydrophobicContact CE2-CG1 3.38Å; F156-I160 HydrophobicContact CZ-CD1 4.48Å; F156-I160 HydrophobicContact CZ-CG1 4Å; F156-I160 VanDerWaalsContact O-CG1 3.29Å; F156-I160 WeakPolarHBondContact O-CG1 3.48Å; F156-I160 PolarHBondContact O-N 3.38Å; I160-L162 VanDerWaalsContact C-N 3.35Å; I160-L162 PolarHBondContact O-N 3.44Å; I160-L163 PolarHBondContact O-N 3.24Å; I160-S164 VanDerWaalsContact O-CB 3.3Å; I160-S164 WeakPolarHBondContact O-CB 3.31Å; I160-S164 PolarHBondContact O-N 3.39Å; I160-S164 PolarHBondContact O-OG 3.32Å; I160-S164 VanDerWaalsContact O-OG 3.06Å; I160-F208 HydrophobicContact CG2-CB 4.26Å; I160-T212 HydrophobicContact CB-CG2 3.92Å; I160-T212 HydrophobicContact CG2-CG2 3.49Å; I160-T212 VanDerWaalsContact CG2-CG2 3.49Å
161	A	98.7	Very high	98.3	Very high	6 Å²	6	22.8 Å²	22.8	5%	0.05	11%	0.109	C	C	.	.	H	α-helix	trans	-57.6	-47.5	176.4	0	0	0	0	0	111.8	A157 F158 M165 T212 I213	A157-A161 WeakPolarHBondContact O-CB 3.47Å; A157-A161 PolarHBondContact O-N 3.16Å; F158-A161 WeakPolarHBondContact O-CB 3.47Å; F158-A161 PolarHBondContact O-N 3.26Å; A161-M165 WeakPolarHBondContact O-CB 3.34Å; A161-M165 WeakPolarHBondContact O-CE 3.41Å; A161-M165 VanDerWaalsContact O-CG 3.28Å; A161-M165 WeakPolarHBondContact O-CG 3.39Å; A161-M165 PolarHBondContact O-N 2.95Å; A161-T212 WeakPolarHBondContact CA-OG1 3.33Å; A161-T212 WeakPolarHBondContact CB-OG1 3.48Å; A161-T212 PolarHBondContact N-OG1 3.35Å; A161-I213 HydrophobicContact CB-CG1 3.81Å
162	L	98.7	Very high	98.3	Very high	55 Å²	55	25.4 Å²	25.4	29%	0.288	13%	0.125	S	C	.	.	H	α-helix	trans	-62.9	-46.2	176.5	-70.2	-177.9	0	0	0	112.5	L67 F158 Y159 I160 M165 H166	L67-L162 HydrophobicContact CD1-CB 4.25Å; L67-L162 HydrophobicContact CD2-CB 3.88Å; L67-L162 HydrophobicContact CD2-CD1 3.97Å; F158-L162 HydrophobicContact CD1-CD1 4.11Å; F158-L162 HydrophobicContact CE1-CD1 3.49Å; F158-L162 VanDerWaalsContact CE1-CD1 3.49Å; F158-L162 HydrophobicContact CE1-CG 4.38Å; F158-L162 HydrophobicContact CE2-CD1 4.17Å; F158-L162 HydrophobicContact CE2-CG 4.33Å; F158-L162 HydrophobicContact CZ-CD1 3.53Å; F158-L162 HydrophobicContact CZ-CG 4.18Å; F158-L162 WeakPolarHBondContact O-CG 3.35Å; F158-L162 PolarHBondContact O-N 3.47Å; Y159-L162 HydrophobicContact CD1-CD1 4.33Å; Y159-L162 PolarHBondContact O-N 2.84Å; I160-L162 VanDerWaalsContact C-N 3.35Å; I160-L162 PolarHBondContact O-N 3.44Å; L162-M165 HydrophobicContact CD2-CE 3.75Å; L162-M165 PolarHBondContact O-N 2.89Å; L162-H166 WeakPolarHBondContact O-CB 3.45Å; L162-H166 PolarHBondContact O-N 3.27Å
163	L	98.7	Very high	98.2	Very high	10 Å²	10	28.3 Å²	28.3	5%	0.052	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-46.2	178.9	-174.7	69.2	0	0	0	110.9	L35 F64 L67 L68 Y159 I160 H166 A167	L35-L163 HydrophobicContact CD2-CD2 3.91Å; F64-L163 HydrophobicContact CD2-CD1 3.52Å; F64-L163 HydrophobicContact CE1-CD1 4.49Å; F64-L163 HydrophobicContact CE2-CD1 3.42Å; F64-L163 VanDerWaalsContact CE2-CD1 3.42Å; F64-L163 HydrophobicContact CE2-CG 4.07Å; F64-L163 HydrophobicContact CG-CD1 4.12Å; F64-L163 HydrophobicContact CZ-CD1 3.94Å; L67-L163 HydrophobicContact CB-CB 4.27Å; L67-L163 HydrophobicContact CB-CD1 3.7Å; L68-L163 HydrophobicContact CB-CD1 4.31Å; L68-L163 HydrophobicContact CD1-CD2 4.2Å; Y159-L163 WeakPolarHBondContact O-CB 3.48Å; Y159-L163 PolarHBondContact O-N 2.82Å; I160-L163 PolarHBondContact O-N 3.24Å; L163-H166 PolarHBondContact O-N 3.13Å; L163-A167 WeakPolarHBondContact O-CB 3.31Å; L163-A167 PolarHBondContact O-N 3.29Å
164	S	98.8	Very high	98	Very high	12 Å²	12	28 Å²	28	8%	0.084	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-43.6	178	-64.8	0	0	0	0	112.3	I160 H166 A167 I168 A205	I160-S164 VanDerWaalsContact O-CB 3.3Å; I160-S164 WeakPolarHBondContact O-CB 3.31Å; I160-S164 PolarHBondContact O-N 3.39Å; I160-S164 PolarHBondContact O-OG 3.32Å; I160-S164 VanDerWaalsContact O-OG 3.06Å; S164-H166 VanDerWaalsContact C-N 3.33Å; S164-H166 PolarHBondContact O-N 3.45Å; S164-A167 PolarHBondContact O-N 3.07Å; S164-I168 VanDerWaalsContact O-CG1 3.29Å; S164-I168 WeakPolarHBondContact O-CG1 3.48Å; S164-I168 PolarHBondContact O-N 3.08Å; S164-A205 WeakPolarHBondContact CB-O 3.3Å
165	M	98.7	Very high	97.9	Very high	82 Å²	82	31.7 Å²	31.7	40%	0.404	15%	0.151	S	C	.	.	H	α-helix	trans	-62.5	-40.4	175.4	-73.2	-175	-63.2	0	0	112.2	A161 L162 I168 Y169 S209 I213	A161-M165 WeakPolarHBondContact O-CB 3.34Å; A161-M165 WeakPolarHBondContact O-CE 3.41Å; A161-M165 VanDerWaalsContact O-CG 3.28Å; A161-M165 WeakPolarHBondContact O-CG 3.39Å; A161-M165 PolarHBondContact O-N 2.95Å; L162-M165 HydrophobicContact CD2-CE 3.75Å; L162-M165 PolarHBondContact O-N 2.89Å; M165-I168 PolarHBondContact O-N 2.92Å; M165-Y169 PolarHBondContact O-N 3.07Å; M165-Y169 VanDerWaalsContact O-N 3.09Å; M165-S209 WeakPolarHBondContact CG-OG 3.49Å; M165-I213 HydrophobicContact SD-CD1 4.18Å
166	H	98.6	Very high	97.7	Very high	24 Å²	24	36.1 Å²	36.1	11%	0.111	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-42.6	175.4	179.9	-89.1	0	0	0	111.8	H60 L67 L162 L163 S164 I168 Y169 W170	H60-H166 AromaticContact CG-NE2 3.8Å; H60-H166 AromaticContact ND1-CD2 3.74Å; H60-H166 AromaticContact ND1-CE1 3.76Å; H60-H166 AromaticContact ND1-NE2 3Å; H60-H166 PolarHBondContact ND1-NE2 3.31Å; H60-H166 PolarHBondContact O-CE1 3.21Å; H60-H166 VanDerWaalsContact O-CE1 3.23Å; L67-H166 HydrophobicContact CD1-CB 4.27Å; L162-H166 WeakPolarHBondContact O-CB 3.45Å; L162-H166 PolarHBondContact O-N 3.27Å; L163-H166 PolarHBondContact O-N 3.13Å; S164-H166 VanDerWaalsContact C-N 3.33Å; S164-H166 PolarHBondContact O-N 3.45Å; H166-I168 PolarHBondContact O-N 2.81Å; H166-Y169 PolarHBondContact O-N 2.89Å; H166-W170 AromaticContact CE1-CE3 3.74Å; H166-W170 PolarHBondContact O-N 3.26Å
167	A	98.5	Very high	97.4	Very high	5 Å²	5	36.4 Å²	36.4	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-40.4	174.9	0	0	0	0	0	112.3	L163 S164 W170 A171 A205	L163-A167 WeakPolarHBondContact O-CB 3.31Å; L163-A167 PolarHBondContact O-N 3.29Å; S164-A167 PolarHBondContact O-N 3.07Å; A167-W170 PolarHBondContact O-N 2.83Å; A167-A171 WeakPolarHBondContact O-CB 3.43Å; A167-A171 PolarHBondContact O-N 3.09Å; A167-A205 HydrophobicContact CB-CB 4.03Å
168	I	98.6	Very high	97.2	Very high	42 Å²	42	36.3 Å²	36.3	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-52.8	173.8	-68.5	164.3	0	0	0	110.3	S164 M165 H166 W170 A171 V172 L202 A205 I206	S164-I168 VanDerWaalsContact O-CG1 3.29Å; S164-I168 WeakPolarHBondContact O-CG1 3.48Å; S164-I168 PolarHBondContact O-N 3.08Å; M165-I168 PolarHBondContact O-N 2.92Å; H166-I168 PolarHBondContact O-N 2.81Å; I168-W170 VanDerWaalsContact C-N 3.32Å; I168-W170 PolarHBondContact O-N 3.43Å; I168-A171 PolarHBondContact O-N 3.29Å; I168-V172 HydrophobicContact CG2-CG2 4.44Å; I168-V172 WeakPolarHBondContact O-CB 3.39Å; I168-V172 VanDerWaalsContact O-CG2 3.3Å; I168-V172 WeakPolarHBondContact O-CG2 3.36Å; I168-V172 PolarHBondContact O-N 2.9Å; I168-L202 HydrophobicContact CB-CD1 4.37Å; I168-L202 HydrophobicContact CG1-CD1 4.26Å; I168-L202 HydrophobicContact CG2-CD1 4.01Å; I168-A205 HydrophobicContact CD1-CB 4.4Å; I168-A205 HydrophobicContact CG1-CB 3.66Å; I168-I206 HydrophobicContact CD1-CG1 3.86Å; I168-I206 HydrophobicContact CG1-CG1 4.07Å
169	Y	98.2	Very high	96.9	Very high	108 Å²	108	40.3 Å²	40.3	42%	0.424	19%	0.193	S	C	.	.	H	α-helix	trans	-54.3	-50	178.9	160.6	-92.2	0	0	0	111.2	H56 H60 M165 H166 V172 W173	H56-Y169 AromaticContact NE2-CE1 3.88Å; H56-Y169 AromaticContact NE2-CZ 3.85Å; H56-Y169 PolarHBondContact NE2-OH 3.45Å; H60-Y169 AromaticContact CE1-CD1 3.73Å; H60-Y169 AromaticContact CE1-CE1 3.1Å; H60-Y169 WeakPolarHBondContact CE1-CE1 3.45Å; H60-Y169 AromaticContact CE1-CZ 3.9Å; H60-Y169 AromaticContact ND1-CD1 3.97Å; H60-Y169 AromaticContact ND1-CE1 3.62Å; H60-Y169 AromaticContact NE2-CE1 3.52Å; M165-Y169 PolarHBondContact O-N 3.07Å; M165-Y169 VanDerWaalsContact O-N 3.09Å; H166-Y169 PolarHBondContact O-N 2.89Å; Y169-V172 PolarHBondContact O-N 3.31Å; Y169-W173 WeakPolarHBondContact O-CB 3.17Å; Y169-W173 PolarHBondContact O-N 3.36Å
170	W	96.9	Very high	96.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72.8	-37.5	-173.8	-162.7	3.2	0	0	0	112.1	V42 L46 I47 H60 G61 F64 H166 A167 I168 W173 K174	V42-W170 HydrophobicContact CG1-CH2 3.98Å; V42-W170 HydrophobicContact CG1-CZ3 3.7Å; V42-W170 HydrophobicContact CG2-CE3 4.41Å; V42-W170 HydrophobicContact CG2-CZ3 4.22Å; L46-W170 HydrophobicContact CB-CD2 3.79Å; L46-W170 HydrophobicContact CB-CE3 4.21Å; L46-W170 HydrophobicContact CB-CG 4.26Å; L46-W170 HydrophobicContact CB-CH2 4.25Å; L46-W170 HydrophobicContact CB-CZ2 3.82Å; L46-W170 HydrophobicContact CB-CZ3 4.42Å; L46-W170 HydrophobicContact CD1-CB 4.11Å; L46-W170 HydrophobicContact CD1-CD2 3.81Å; L46-W170 HydrophobicContact CD1-CE3 3.9Å; L46-W170 HydrophobicContact CD1-CG 3.9Å; L46-W170 HydrophobicContact CD2-CG 4.48Å; L46-W170 HydrophobicContact CG-CD2 4.35Å; L46-W170 HydrophobicContact CG-CG 4.46Å; I47-W170 HydrophobicContact CD1-CH2 4.31Å; I47-W170 HydrophobicContact CG1-CH2 3.53Å; I47-W170 HydrophobicContact CG1-CZ2 3.96Å; H60-W170 HydrophobicContact CB-CD2 3.83Å; H60-W170 HydrophobicContact CB-CE3 3.83Å; H60-W170 HydrophobicContact CB-CH2 3.91Å; H60-W170 HydrophobicContact CB-CZ2 3.93Å; H60-W170 HydrophobicContact CB-CZ3 3.87Å; G61-W170 VanDerWaalsContact N-CH2 3.35Å; F64-W170 HydrophobicContact CB-CZ3 4.2Å; H166-W170 AromaticContact CE1-CE3 3.74Å; H166-W170 PolarHBondContact O-N 3.26Å; A167-W170 PolarHBondContact O-N 2.83Å; I168-W170 VanDerWaalsContact C-N 3.32Å; I168-W170 PolarHBondContact O-N 3.43Å; W170-W173 AromaticContact CD1-CE3 3.82Å; W170-W173 AromaticContact NE1-CE3 3.99Å; W170-W173 PolarHBondContact O-N 2.86Å; W170-K174 WeakPolarHBondContact O-CB 3.13Å; W170-K174 PolarHBondContact O-N 3.48Å
171	A	97	Very high	96.2	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-43.9	174.7	0	0	0	0	0	111.9	A167 I168 K174 F175 L198 L201	A167-A171 WeakPolarHBondContact O-CB 3.43Å; A167-A171 PolarHBondContact O-N 3.09Å; I168-A171 PolarHBondContact O-N 3.29Å; A171-K174 PolarHBondContact O-N 3.47Å; A171-F175 VanDerWaalsContact O-CB 3.27Å; A171-F175 WeakPolarHBondContact O-CB 3.48Å; A171-F175 PolarHBondContact O-N 2.96Å; A171-L198 HydrophobicContact CB-CD2 4.4Å; A171-L201 HydrophobicContact CB-CD2 4.11Å
172	V	97.1	Very high	95.8	Very high	62 Å²	62	54.7 Å²	54.7	38%	0.376	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-46.6	175.3	171.1	0	0	0	0	110.6	I168 Y169 K174 F175 L176 L202	I168-V172 HydrophobicContact CG2-CG2 4.44Å; I168-V172 WeakPolarHBondContact O-CB 3.39Å; I168-V172 VanDerWaalsContact O-CG2 3.3Å; I168-V172 WeakPolarHBondContact O-CG2 3.36Å; I168-V172 PolarHBondContact O-N 2.9Å; Y169-V172 PolarHBondContact O-N 3.31Å; V172-K174 PolarHBondContact O-N 3.38Å; V172-F175 PolarHBondContact O-N 3.15Å; V172-L176 HydrophobicContact CG1-CD1 4.06Å; V172-L176 HydrophobicContact CG1-CG 4.41Å; V172-L176 WeakPolarHBondContact O-CG 3.34Å; V172-L176 PolarHBondContact O-N 2.97Å; V172-L202 HydrophobicContact CG2-CD1 4.12Å
173	W	95.5	Very high	95.4	Very high	65 Å²	65	54.3 Å²	54.3	25%	0.246	26%	0.255	C	S	.	.	H	α-helix	trans	-57.6	-47.4	176.8	178.9	84.7	0	0	0	111.9	H56 Y169 W170 F175 L176 L177	H56-W173 AromaticContact CE1-CD2 3.57Å; H56-W173 AromaticContact CE1-CE2 3.74Å; H56-W173 AromaticContact CE1-CE3 3.66Å; H56-W173 AromaticContact CE1-CZ2 3.98Å; H56-W173 AromaticContact CE1-CZ3 3.88Å; H56-W173 AromaticContact ND1-CH2 3.63Å; H56-W173 AromaticContact ND1-CZ2 3.81Å; H56-W173 AromaticContact ND1-CZ3 3.76Å; Y169-W173 WeakPolarHBondContact O-CB 3.17Å; Y169-W173 PolarHBondContact O-N 3.36Å; W170-W173 AromaticContact CD1-CE3 3.82Å; W170-W173 AromaticContact NE1-CE3 3.99Å; W170-W173 PolarHBondContact O-N 2.86Å; W173-F175 PolarHBondContact O-N 3.28Å; W173-L176 PolarHBondContact O-N 2.94Å; W173-L177 HydrophobicContact CE3-CD2 4.47Å; W173-L177 HydrophobicContact CH2-CD2 3.61Å; W173-L177 HydrophobicContact CZ2-CD2 4.08Å; W173-L177 HydrophobicContact CZ3-CD2 3.82Å; W173-L177 WeakPolarHBondContact O-CB 3.47Å; W173-L177 PolarHBondContact O-N 3.4Å
174	K	94.7	Very high	94.9	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-66.1	-38.6	178.6	-172.9	69.4	176.9	-176.4	0	111.7	V45 L46 S48 S51 W170 A171 V172 L177 C178 C186 L198	V45-K174 HydrophobicContact CG1-CG 4.38Å; V45-K174 WeakPolarHBondContact O-CE 3.45Å; L46-K174 HydrophobicContact CD2-CB 3.56Å; L46-K174 HydrophobicContact CD2-CG 3.84Å; S48-K174 PolarHBondContact O-NZ 2.95Å; S48-K174 VanDerWaalsContact O-NZ 3.07Å; S51-K174 PolarHBondContact OG-NZ 3.31Å; W170-K174 WeakPolarHBondContact O-CB 3.13Å; W170-K174 PolarHBondContact O-N 3.48Å; A171-K174 PolarHBondContact O-N 3.47Å; V172-K174 PolarHBondContact O-N 3.38Å; K174-L177 HydrophobicContact CD-CD2 4.41Å; K174-L177 PolarHBondContact O-N 3.01Å; K174-C178 WeakPolarHBondContact O-CB 3.32Å; K174-C178 PolarHBondContact O-N 3.4Å; K174-C178 PolarHBondContact O-SG 3.02Å; K174-C186 WeakPolarHBondContact CE-O 3.35Å; K174-C186 PolarHBondContact NZ-O 2.81Å; K174-L198 HydrophobicContact CB-CD2 4.31Å; K174-L198 HydrophobicContact CG-CD1 4.42Å; K174-L198 HydrophobicContact CG-CD2 4.29Å
175	F	94.9	Very high	94.3	Very high	80 Å²	80	62 Å²	62	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-48.2	176.9	-175.5	-84.9	0	0	0	111.5	A171 V172 W173 C178 F179 W183 T195 L198	A171-F175 VanDerWaalsContact O-CB 3.27Å; A171-F175 WeakPolarHBondContact O-CB 3.48Å; A171-F175 PolarHBondContact O-N 2.96Å; V172-F175 PolarHBondContact O-N 3.15Å; W173-F175 PolarHBondContact O-N 3.28Å; F175-C178 PolarHBondContact O-N 3.06Å; F175-F179 WeakPolarHBondContact O-CB 3.3Å; F175-F179 PolarHBondContact O-N 2.96Å; F175-W183 AromaticContact CD2-CH2 3.84Å; F175-W183 HydrophobicContact CD2-CH2 3.84Å; F175-W183 HydrophobicContact CD2-CZ2 4.27Å; F175-W183 AromaticContact CE2-CH2 3.8Å; F175-W183 HydrophobicContact CE2-CH2 3.8Å; F175-W183 AromaticContact CE2-CZ2 3.89Å; F175-W183 HydrophobicContact CE2-CZ2 3.89Å; F175-W183 HydrophobicContact CZ-CZ2 4.25Å; F175-T195 HydrophobicContact CE2-CG2 4.42Å; F175-L198 HydrophobicContact CB-CD1 4.33Å; F175-L198 HydrophobicContact CD2-CD1 4.35Å
176	L	94.5	Very high	93.8	Very high	95 Å²	95	58.1 Å²	58.1	50%	0.497	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-45.1	178.1	-67.7	175.4	0	0	0	111.5	V172 W173 C178 F179 E180	V172-L176 HydrophobicContact CG1-CD1 4.06Å; V172-L176 HydrophobicContact CG1-CG 4.41Å; V172-L176 WeakPolarHBondContact O-CG 3.34Å; V172-L176 PolarHBondContact O-N 2.97Å; W173-L176 PolarHBondContact O-N 2.94Å; L176-C178 VanDerWaalsContact C-N 3.35Å; L176-C178 PolarHBondContact O-N 3.28Å; L176-F179 WeakPolarHBondContact O-CB 3.35Å; L176-F179 PolarHBondContact O-N 2.63Å; L176-E180 WeakPolarHBondContact O-CG 3.31Å; L176-E180 PolarHBondContact O-N 3.3Å
177	L	93.3	Very high	93.4	Very high	29 Å²	29	57.6 Å²	57.6	15%	0.152	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-45.2	175.7	179.9	66.4	0	0	0	112.2	S51 W173 K174 F179 E180 M181	S51-L177 WeakPolarHBondContact O-CD1 3.41Å; S51-L177 WeakPolarHBondContact O-CD2 3.43Å; W173-L177 HydrophobicContact CE3-CD2 4.47Å; W173-L177 HydrophobicContact CH2-CD2 3.61Å; W173-L177 HydrophobicContact CZ2-CD2 4.08Å; W173-L177 HydrophobicContact CZ3-CD2 3.82Å; W173-L177 WeakPolarHBondContact O-CB 3.47Å; W173-L177 PolarHBondContact O-N 3.4Å; K174-L177 HydrophobicContact CD-CD2 4.41Å; K174-L177 PolarHBondContact O-N 3.01Å; L177-F179 VanDerWaalsContact C-N 3.32Å; L177-E180 PolarHBondContact O-N 3.38Å; L177-M181 HydrophobicContact CG-CE 4.45Å; L177-M181 WeakPolarHBondContact O-CG 3.24Å; L177-M181 PolarHBondContact O-N 2.98Å
178	C	93.4	Very high	92.9	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.4	-29	179	-64.9	0	0	0	0	113.2	K174 F175 L176 M181 E182 W183 C186	K174-C178 WeakPolarHBondContact O-CB 3.32Å; K174-C178 PolarHBondContact O-N 3.4Å; K174-C178 PolarHBondContact O-SG 3.02Å; F175-C178 PolarHBondContact O-N 3.06Å; L176-C178 VanDerWaalsContact C-N 3.35Å; L176-C178 PolarHBondContact O-N 3.28Å; C178-M181 HydrophobicContact CB-CE 4.37Å; C178-E182 PolarHBondContact O-N 2.83Å; C178-W183 HydrophobicContact CB-CD2 4.26Å; C178-W183 HydrophobicContact CB-CE3 3.87Å; C178-W183 HydrophobicContact CB-CH2 4.46Å; C178-W183 HydrophobicContact CB-CZ3 3.99Å; C178-W183 WeakPolarHBondContact O-CA 3.41Å; C178-W183 PolarHBondContact O-N 3.3Å; C178-C186 HydrophobicContact CB-CB 3.71Å; C178-C186 WeakPolarHBondContact CB-SG 3.48Å; C178-C186 WeakPolarHBondContact SG-CB 3.33Å; C178-C186 CovalentContact SG-SG 2.01Å; C178-C186 PolarHBondContact SG-SG 3.32Å
179	F	93.2	Very high	92.6	Very high	138 Å²	138	66.5 Å²	66.5	61%	0.605	32%	0.321	S	S	*	.	H	α-helix	trans	-64.6	-46.2	171.2	-177	-96.4	0	0	0	111.7	F175 L176 L177 M181 E182	F175-F179 WeakPolarHBondContact O-CB 3.3Å; F175-F179 PolarHBondContact O-N 2.96Å; L176-F179 WeakPolarHBondContact O-CB 3.35Å; L176-F179 PolarHBondContact O-N 2.63Å; L177-F179 VanDerWaalsContact C-N 3.32Å; F179-M181 PolarHBondContact O-N 3.46Å; F179-E182 PolarHBondContact O-N 3.44Å; F179-E182 VanDerWaalsContact O-N 3.09Å
180	E	92.3	Very high	92.4	Very high	155 Å²	155	64.6 Å²	64.6	72%	0.724	32%	0.323	S	S	*	.	H	α-helix	trans	-59.9	-31.8	178.3	-73.4	177.2	-174.1	0	0	113.3	L176 L177	L176-E180 WeakPolarHBondContact O-CG 3.31Å; L176-E180 PolarHBondContact O-N 3.3Å; L177-E180 PolarHBondContact O-N 3.38Å
181	M	89.8	Confident	92.2	Very high	51 Å²	51	67.6 Å²	67.6	25%	0.251	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.6	178.9	-58.2	-178.5	-55.6	0	0	114.3	S51 L177 C178 F179 W183 K184 C186	S51-M181 WeakPolarHBondContact CB-SD 3.47Å; L177-M181 HydrophobicContact CG-CE 4.45Å; L177-M181 WeakPolarHBondContact O-CG 3.24Å; L177-M181 PolarHBondContact O-N 2.98Å; C178-M181 HydrophobicContact CB-CE 4.37Å; F179-M181 PolarHBondContact O-N 3.46Å; M181-W183 PolarHBondContact O-N 3.01Å; M181-W183 VanDerWaalsContact O-N 3.12Å; M181-K184 WeakPolarHBondContact O-CB 3.45Å; M181-K184 PolarHBondContact O-N 2.91Å; M181-K184 VanDerWaalsContact O-N 3.08Å; M181-C186 HydrophobicContact CE-CB 4.22Å
182	E	91.1	Very high	92.2	Very high	132 Å²	132	72.4 Å²	72.4	62%	0.617	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	32.6	-173.6	-50.4	177.7	151.3	0	0	112.8	C178 F179 K184	C178-E182 PolarHBondContact O-N 2.83Å; F179-E182 PolarHBondContact O-N 3.44Å; F179-E182 VanDerWaalsContact O-N 3.09Å; E182-K184 PolarHBondContact O-N 2.95Å; E182-K184 VanDerWaalsContact O-N 3.1Å; E182-K184 IonicContact OE2-NZ 2.97Å; E182-K184 PolarHBondContact OE2-NZ 3.43Å
183	W	90.9	Very high	92.1	Very high	46 Å²	46	71.1 Å²	71.1	17%	0.174	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	8.6	-178.1	-54.2	82.1	0	0	0	115.8	F175 C178 M181 G185 P191 T194 T195 L198	F175-W183 AromaticContact CD2-CH2 3.84Å; F175-W183 HydrophobicContact CD2-CH2 3.84Å; F175-W183 HydrophobicContact CD2-CZ2 4.27Å; F175-W183 AromaticContact CE2-CH2 3.8Å; F175-W183 HydrophobicContact CE2-CH2 3.8Å; F175-W183 AromaticContact CE2-CZ2 3.89Å; F175-W183 HydrophobicContact CE2-CZ2 3.89Å; F175-W183 HydrophobicContact CZ-CZ2 4.25Å; C178-W183 HydrophobicContact CB-CD2 4.26Å; C178-W183 HydrophobicContact CB-CE3 3.87Å; C178-W183 HydrophobicContact CB-CH2 4.46Å; C178-W183 HydrophobicContact CB-CZ3 3.99Å; C178-W183 WeakPolarHBondContact O-CA 3.41Å; C178-W183 PolarHBondContact O-N 3.3Å; M181-W183 PolarHBondContact O-N 3.01Å; M181-W183 VanDerWaalsContact O-N 3.12Å; W183-G185 PolarHBondContact O-N 3.23Å; W183-P191 HydrophobicContact CB-CB 3.77Å; W183-P191 HydrophobicContact CB-CG 4.09Å; W183-P191 HydrophobicContact CG-CB 4.34Å; W183-T194 HydrophobicContact CZ3-CG2 4.28Å; W183-T195 HydrophobicContact CH2-CG2 3.89Å; W183-T195 WeakPolarHBondContact CH2-OG1 3.44Å; W183-T195 HydrophobicContact CZ2-CG2 4.24Å; W183-T195 WeakPolarHBondContact CZ3-OG1 3.48Å; W183-L198 HydrophobicContact CH2-CD1 4.37Å; W183-L198 HydrophobicContact CZ3-CD1 4.22Å
184	K	86.7	Confident	92.1	Very high	145 Å²	145	68.1 Å²	68.1	63%	0.63	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	114.7	176.6	-68.8	168.7	178.7	156.8	0	109.5	M181 E182 C186	M181-K184 WeakPolarHBondContact O-CB 3.45Å; M181-K184 PolarHBondContact O-N 2.91Å; M181-K184 VanDerWaalsContact O-N 3.08Å; E182-K184 PolarHBondContact O-N 2.95Å; E182-K184 VanDerWaalsContact O-N 3.1Å; E182-K184 IonicContact OE2-NZ 2.97Å; E182-K184 PolarHBondContact OE2-NZ 3.43Å; K184-C186 VanDerWaalsContact C-N 3.34Å; K184-C186 PolarHBondContact O-N 3.41Å
185	G	85.6	Confident	92.1	Very high	38 Å²	38	69.7 Å²	69.7	39%	0.392	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	34.1	179.1	0	0	0	0	0	113.7	S50 W183	S50-G185 CarbonylContact C-O 3.47Å; S50-G185 WeakPolarHBondContact CB-O 3.36Å; S50-G185 VanDerWaalsContact O-O 3.1Å; S50-G185 PolarHBondContact OG-O 3.28Å; W183-G185 PolarHBondContact O-N 3.23Å
186	C	89	Confident	92.2	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.014	37%	0.373	C	S	.	.	S	Bend	trans	-69.9	-42	176.1	172.2	0	0	0	0	112.6	K174 C178 M181 K184 T194	K174-C186 WeakPolarHBondContact CE-O 3.35Å; K174-C186 PolarHBondContact NZ-O 2.81Å; C178-C186 HydrophobicContact CB-CB 3.71Å; C178-C186 WeakPolarHBondContact CB-SG 3.48Å; C178-C186 WeakPolarHBondContact SG-CB 3.33Å; C178-C186 CovalentContact SG-SG 2.01Å; C178-C186 PolarHBondContact SG-SG 3.32Å; M181-C186 HydrophobicContact CE-CB 4.22Å; K184-C186 VanDerWaalsContact C-N 3.34Å; K184-C186 PolarHBondContact O-N 3.41Å; C186-T194 VanDerWaalsContact SG-CG2 3.57Å
187	S	89.9	Confident	92.4	Very high	12 Å²	12	66.1 Å²	66.1	8%	0.084	36%	0.355	C	S	.	.	S	Bend	trans	-150.3	-179.1	178.8	85.4	0	0	0	0	110.3	F189 T194	S187-F189 PolarHBondContact O-N 2.73Å; S187-F189 PolarHBondContact OG-N 3.06Å; S187-T194 PolarHBondContact OG-OG1 3.4Å
188	N	88.4	Confident	92.6	Very high	151 Å²	151	65 Å²	65	81%	0.807	35%	0.349	S	S	*	.	S	Bend	trans	-74.5	-8.5	173.1	-66.1	-30.4	0	0	0	113.3
189	F	92.1	Very high	92.8	Very high	84 Å²	84	69.1 Å²	69.1	37%	0.368	37%	0.37	S	S	.	.	S	Bend	trans	-92.1	165.6	176.2	-65.2	-60.6	0	0	0	111.8	F40 T44 V45 S187 A193	F40-F189 HydrophobicContact CE2-CZ 4.29Å; F40-F189 HydrophobicContact CZ-CE2 4.05Å; F40-F189 AromaticContact CZ-CZ 3.86Å; F40-F189 HydrophobicContact CZ-CZ 3.86Å; T44-F189 HydrophobicContact CG2-CE2 4.26Å; T44-F189 HydrophobicContact CG2-CZ 4.41Å; V45-F189 HydrophobicContact CG2-CD2 4.1Å; V45-F189 HydrophobicContact CG2-CE2 4.4Å; S187-F189 PolarHBondContact O-N 2.73Å; S187-F189 PolarHBondContact OG-N 3.06Å; F189-A193 HydrophobicContact CB-CB 3.99Å
190	S	93.7	Very high	93	Very high	67 Å²	67	65.7 Å²	65.7	47%	0.469	36%	0.36	S	S	.	.			trans	-58.7	155.4	169.7	68.8	0	0	0	0	111	T192 A193 T194	S190-T192 VanDerWaalsContact C-N 3.29Å; S190-T192 PolarHBondContact O-N 3.46Å; S190-A193 PolarHBondContact O-N 3.41Å; S190-A193 WeakPolarHBondContact OG-CB 3.31Å; S190-A193 PolarHBondContact OG-N 2.94Å; S190-T194 PolarHBondContact O-N 2.79Å; S190-T194 PolarHBondContact O-OG1 3.13Å
191	P	94	Very high	93.3	Very high	64 Å²	64	58.5 Å²	58.5	42%	0.416	33%	0.327	S	S	.	.	H	α-helix	trans	-48.8	-50.8	173.5	-32	38.1	0	0	0	112.2	W183 A193 T194 T195	W183-P191 HydrophobicContact CB-CB 3.77Å; W183-P191 HydrophobicContact CB-CG 4.09Å; W183-P191 HydrophobicContact CG-CB 4.34Å; P191-A193 PolarHBondContact O-N 2.85Å; P191-T194 WeakPolarHBondContact O-CB 3.23Å; P191-T194 PolarHBondContact O-N 3.1Å; P191-T195 PolarHBondContact O-N 3.36Å; P191-T195 PolarHBondContact O-OG1 3.48Å
192	T	95.9	Very high	93.7	Very high	103 Å²	103	58.6 Å²	58.6	63%	0.632	33%	0.328	S	S	*	.	H	α-helix	trans	-58.2	-47.9	179.5	-48.6	0	0	0	0	112.7	S190 T194 T195 V196	S190-T192 VanDerWaalsContact C-N 3.29Å; S190-T192 PolarHBondContact O-N 3.46Å; T192-T194 VanDerWaalsContact C-N 3.33Å; T192-T194 PolarHBondContact O-N 3.45Å; T192-T195 PolarHBondContact O-N 3.06Å; T192-V196 VanDerWaalsContact O-CG2 3.29Å; T192-V196 WeakPolarHBondContact O-CG2 3.36Å; T192-V196 PolarHBondContact O-N 2.97Å
193	A	95.3	Very high	94.1	Very high	36 Å²	36	56.1 Å²	56.1	30%	0.298	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-40.9	179.8	0	0	0	0	0	111.4	F189 S190 P191 V196 V197	F189-A193 HydrophobicContact CB-CB 3.99Å; S190-A193 PolarHBondContact O-N 3.41Å; S190-A193 WeakPolarHBondContact OG-CB 3.31Å; S190-A193 PolarHBondContact OG-N 2.94Å; P191-A193 PolarHBondContact O-N 2.85Å; A193-V196 PolarHBondContact O-N 3.4Å; A193-V197 WeakPolarHBondContact O-CG2 3.38Å; A193-V197 PolarHBondContact O-N 3.29Å
194	T	95	Very high	94.4	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-47	175.9	-51.7	0	0	0	0	111.6	V45 W183 C186 S187 S190 P191 T192 V196 V197 L198	V45-T194 HydrophobicContact CG1-CG2 3.65Å; V45-T194 HydrophobicContact CG2-CG2 4.34Å; W183-T194 HydrophobicContact CZ3-CG2 4.28Å; C186-T194 VanDerWaalsContact SG-CG2 3.57Å; S187-T194 PolarHBondContact OG-OG1 3.4Å; S190-T194 PolarHBondContact O-N 2.79Å; S190-T194 PolarHBondContact O-OG1 3.13Å; P191-T194 WeakPolarHBondContact O-CB 3.23Å; P191-T194 PolarHBondContact O-N 3.1Å; T192-T194 VanDerWaalsContact C-N 3.33Å; T192-T194 PolarHBondContact O-N 3.45Å; T194-V196 PolarHBondContact O-N 3.19Å; T194-V197 PolarHBondContact O-N 2.88Å; T194-L198 HydrophobicContact CG2-CD1 4.28Å; T194-L198 WeakPolarHBondContact O-CG 3.31Å; T194-L198 PolarHBondContact O-N 3.48Å
195	T	95.7	Very high	95	Very high	35 Å²	35	49.1 Å²	49.1	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-44.4	177.3	-50.8	0	0	0	0	111.4	F175 W183 P191 T192 L198 I199	F175-T195 HydrophobicContact CE2-CG2 4.42Å; W183-T195 HydrophobicContact CH2-CG2 3.89Å; W183-T195 WeakPolarHBondContact CH2-OG1 3.44Å; W183-T195 HydrophobicContact CZ2-CG2 4.24Å; W183-T195 WeakPolarHBondContact CZ3-OG1 3.48Å; P191-T195 PolarHBondContact O-N 3.36Å; P191-T195 PolarHBondContact O-OG1 3.48Å; T192-T195 PolarHBondContact O-N 3.06Å; T195-L198 PolarHBondContact O-N 3.31Å; T195-I199 HydrophobicContact CG2-CD1 3.83Å; T195-I199 HydrophobicContact CG2-CG1 4.45Å; T195-I199 VanDerWaalsContact O-CG1 3.3Å; T195-I199 WeakPolarHBondContact O-CG1 3.32Å; T195-I199 PolarHBondContact O-N 3.5Å
196	V	97.4	Very high	95.6	Very high	80 Å²	80	51.3 Å²	51.3	49%	0.485	30%	0.299	S	S	.	.	H	α-helix	trans	-62.2	-46.5	178.3	169.9	0	0	0	0	111.1	T192 A193 T194 L198 I199 V200	T192-V196 VanDerWaalsContact O-CG2 3.29Å; T192-V196 WeakPolarHBondContact O-CG2 3.36Å; T192-V196 PolarHBondContact O-N 2.97Å; A193-V196 PolarHBondContact O-N 3.4Å; T194-V196 PolarHBondContact O-N 3.19Å; V196-L198 VanDerWaalsContact C-N 3.34Å; V196-L198 PolarHBondContact O-N 2.91Å; V196-I199 PolarHBondContact O-N 3.16Å; V196-V200 HydrophobicContact CG1-CG2 4.31Å; V196-V200 VanDerWaalsContact O-CG2 3.32Å; V196-V200 WeakPolarHBondContact O-CG2 3.37Å; V196-V200 PolarHBondContact O-N 3.04Å
197	V	97.1	Very high	96.1	Very high	20 Å²	20	57.4 Å²	57.4	12%	0.121	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-44.9	177.8	170.8	0	0	0	0	111.2	F40 A41 V45 A193 T194 V200 L201	F40-V197 HydrophobicContact CE1-CG2 4.25Å; A41-V197 HydrophobicContact CB-CG1 3.65Å; V45-V197 HydrophobicContact CG2-CB 4.28Å; V45-V197 HydrophobicContact CG2-CG1 3.9Å; A193-V197 WeakPolarHBondContact O-CG2 3.38Å; A193-V197 PolarHBondContact O-N 3.29Å; T194-V197 PolarHBondContact O-N 2.88Å; V197-V200 PolarHBondContact O-N 3.42Å; V197-L201 VanDerWaalsContact O-CB 3.28Å; V197-L201 WeakPolarHBondContact O-CB 3.27Å; V197-L201 PolarHBondContact O-N 3.11Å
198	L	97.3	Very high	96.5	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-63.3	-42.2	177.9	-72	174	0	0	0	112.5	V45 L46 A171 K174 F175 W183 T194 T195 V196 L202	V45-L198 HydrophobicContact CG1-CD1 4.45Å; V45-L198 HydrophobicContact CG1-CD2 3.86Å; V45-L198 HydrophobicContact CG1-CG 4.04Å; L46-L198 HydrophobicContact CD2-CD2 3.62Å; A171-L198 HydrophobicContact CB-CD2 4.4Å; K174-L198 HydrophobicContact CB-CD2 4.31Å; K174-L198 HydrophobicContact CG-CD1 4.42Å; K174-L198 HydrophobicContact CG-CD2 4.29Å; F175-L198 HydrophobicContact CB-CD1 4.33Å; F175-L198 HydrophobicContact CD2-CD1 4.35Å; W183-L198 HydrophobicContact CH2-CD1 4.37Å; W183-L198 HydrophobicContact CZ3-CD1 4.22Å; T194-L198 HydrophobicContact CG2-CD1 4.28Å; T194-L198 WeakPolarHBondContact O-CG 3.31Å; T194-L198 PolarHBondContact O-N 3.48Å; T195-L198 PolarHBondContact O-N 3.31Å; V196-L198 VanDerWaalsContact C-N 3.34Å; V196-L198 PolarHBondContact O-N 2.91Å; L198-L202 VanDerWaalsContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.44Å; L198-L202 PolarHBondContact O-N 3.45Å
199	I	97.9	Very high	97	Very high	87 Å²	87	52 Å²	52	45%	0.446	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-46.6	178.1	-70.7	170.7	0	0	0	110.6	T195 V196 L202 C203	T195-I199 HydrophobicContact CG2-CD1 3.83Å; T195-I199 HydrophobicContact CG2-CG1 4.45Å; T195-I199 VanDerWaalsContact O-CG1 3.3Å; T195-I199 WeakPolarHBondContact O-CG1 3.32Å; T195-I199 PolarHBondContact O-N 3.5Å; V196-I199 PolarHBondContact O-N 3.16Å; I199-L202 PolarHBondContact O-N 3.29Å; I199-C203 WeakPolarHBondContact O-CB 3.36Å; I199-C203 PolarHBondContact O-N 3.4Å; I199-C203 PolarHBondContact O-SG 2.89Å; I199-C203 VanDerWaalsContact O-SG 3.34Å
200	V	98.4	Very high	97.3	Very high	66 Å²	66	52 Å²	52	40%	0.4	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-44.9	179.1	175.6	0	0	0	0	110.5	F37 V196 V197 L202 C203 E204	F37-V200 HydrophobicContact CE1-CB 4.31Å; F37-V200 HydrophobicContact CE1-CG1 3.68Å; F37-V200 HydrophobicContact CE2-CG1 4.29Å; F37-V200 HydrophobicContact CZ-CB 3.84Å; F37-V200 HydrophobicContact CZ-CG1 3.48Å; F37-V200 VanDerWaalsContact CZ-CG1 3.48Å; V196-V200 HydrophobicContact CG1-CG2 4.31Å; V196-V200 VanDerWaalsContact O-CG2 3.32Å; V196-V200 WeakPolarHBondContact O-CG2 3.37Å; V196-V200 PolarHBondContact O-N 3.04Å; V197-V200 PolarHBondContact O-N 3.42Å; V200-L202 VanDerWaalsContact C-N 3.34Å; V200-L202 PolarHBondContact O-N 3Å; V200-C203 PolarHBondContact O-N 3.27Å; V200-E204 WeakPolarHBondContact O-CB 3.49Å; V200-E204 PolarHBondContact O-N 3.29Å
201	L	98.6	Very high	97.5	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-44	175.1	179.7	66.7	0	0	0	112	F37 A41 L46 A171 V197 E204 A205	F37-L201 HydrophobicContact CE1-CB 4.16Å; F37-L201 HydrophobicContact CE1-CD1 4.39Å; A41-L201 HydrophobicContact CB-CB 4.4Å; A41-L201 HydrophobicContact CB-CD1 4.23Å; A41-L201 HydrophobicContact CB-CD2 3.87Å; A41-L201 HydrophobicContact CB-CG 4.39Å; L46-L201 HydrophobicContact CD1-CD2 3.81Å; L46-L201 HydrophobicContact CG-CD2 4.48Å; A171-L201 HydrophobicContact CB-CD2 4.11Å; V197-L201 VanDerWaalsContact O-CB 3.28Å; V197-L201 WeakPolarHBondContact O-CB 3.27Å; V197-L201 PolarHBondContact O-N 3.11Å; L201-E204 PolarHBondContact O-N 3.48Å; L201-A205 WeakPolarHBondContact O-CB 3.28Å; L201-A205 PolarHBondContact O-N 3.49Å
202	L	98.4	Very high	97.7	Very high	53 Å²	53	50.5 Å²	50.5	28%	0.277	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-44.6	179.6	-175.2	63.7	0	0	0	111.5	I168 V172 L198 I199 V200 A205 I206	I168-L202 HydrophobicContact CB-CD1 4.37Å; I168-L202 HydrophobicContact CG1-CD1 4.26Å; I168-L202 HydrophobicContact CG2-CD1 4.01Å; V172-L202 HydrophobicContact CG2-CD1 4.12Å; L198-L202 VanDerWaalsContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.44Å; L198-L202 PolarHBondContact O-N 3.45Å; I199-L202 PolarHBondContact O-N 3.29Å; V200-L202 VanDerWaalsContact C-N 3.34Å; V200-L202 PolarHBondContact O-N 3Å; L202-A205 PolarHBondContact O-N 3.27Å; L202-I206 HydrophobicContact CD1-CD1 3.98Å; L202-I206 HydrophobicContact CD1-CG1 4.3Å; L202-I206 HydrophobicContact CG-CD1 3.85Å; L202-I206 WeakPolarHBondContact O-CB 3.39Å; L202-I206 VanDerWaalsContact O-CG1 3.22Å; L202-I206 WeakPolarHBondContact O-CG1 3.46Å; L202-I206 PolarHBondContact O-N 2.97Å
203	C	98.6	Very high	97.8	Very high	81 Å²	81	48.8 Å²	48.8	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-47.4	175.7	-73.1	0	0	0	0	111.9	I199 V200 F207	I199-C203 WeakPolarHBondContact O-CB 3.36Å; I199-C203 PolarHBondContact O-N 3.4Å; I199-C203 PolarHBondContact O-SG 2.89Å; I199-C203 VanDerWaalsContact O-SG 3.34Å; V200-C203 PolarHBondContact O-N 3.27Å; C203-F207 WeakPolarHBondContact O-CB 3.36Å; C203-F207 PolarHBondContact O-N 3.09Å
204	E	98.5	Very high	98	Very high	38 Å²	38	51.5 Å²	51.5	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-49.8	176.5	-179.8	176.5	144.5	0	0	111.3	L34 F37 V200 L201 I206 F207 F208	L34-E204 HydrophobicContact CD2-CG 4.48Å; F37-E204 WeakPolarHBondContact CD1-OE2 3.42Å; V200-E204 WeakPolarHBondContact O-CB 3.49Å; V200-E204 PolarHBondContact O-N 3.29Å; L201-E204 PolarHBondContact O-N 3.48Å; E204-I206 PolarHBondContact O-N 3.32Å; E204-F207 PolarHBondContact O-N 3.41Å; E204-F208 HydrophobicContact CG-CD2 3.59Å; E204-F208 HydrophobicContact CG-CE2 3.76Å; E204-F208 VanDerWaalsContact O-CD2 3.3Å; E204-F208 WeakPolarHBondContact O-CD2 3.32Å; E204-F208 PolarHBondContact O-N 3.45Å
205	A	98.7	Very high	98.1	Very high	5 Å²	5	53.1 Å²	53.1	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-66.2	-39.1	-177	0	0	0	0	0	112.2	S164 A167 I168 L201 L202 S209	S164-A205 WeakPolarHBondContact CB-O 3.3Å; A167-A205 HydrophobicContact CB-CB 4.03Å; I168-A205 HydrophobicContact CD1-CB 4.4Å; I168-A205 HydrophobicContact CG1-CB 3.66Å; L201-A205 WeakPolarHBondContact O-CB 3.28Å; L201-A205 PolarHBondContact O-N 3.49Å; L202-A205 PolarHBondContact O-N 3.27Å; A205-S209 WeakPolarHBondContact O-CB 3.33Å; A205-S209 PolarHBondContact O-N 3.4Å
206	I	98.7	Very high	98.2	Very high	84 Å²	84	53.9 Å²	53.9	43%	0.431	28%	0.284	S	S	.	.	H	α-helix	trans	-63.1	-49	174.4	-70.2	167.8	0	0	0	110.6	I168 L202 E204 F208 S209 V210	I168-I206 HydrophobicContact CD1-CG1 3.86Å; I168-I206 HydrophobicContact CG1-CG1 4.07Å; L202-I206 HydrophobicContact CD1-CD1 3.98Å; L202-I206 HydrophobicContact CD1-CG1 4.3Å; L202-I206 HydrophobicContact CG-CD1 3.85Å; L202-I206 WeakPolarHBondContact O-CB 3.39Å; L202-I206 VanDerWaalsContact O-CG1 3.22Å; L202-I206 WeakPolarHBondContact O-CG1 3.46Å; L202-I206 PolarHBondContact O-N 2.97Å; E204-I206 PolarHBondContact O-N 3.32Å; I206-F208 PolarHBondContact O-N 3.49Å; I206-S209 PolarHBondContact O-N 2.92Å; I206-V210 WeakPolarHBondContact O-CG2 3.37Å; I206-V210 PolarHBondContact O-N 2.89Å; I206-V210 VanDerWaalsContact O-N 3.11Å
207	F	98.4	Very high	98.2	Very high	130 Å²	130	53.5 Å²	53.5	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-58.1	-52.2	-179.8	174	-97.6	0	0	0	111.5	C203 E204 F211	C203-F207 WeakPolarHBondContact O-CB 3.36Å; C203-F207 PolarHBondContact O-N 3.09Å; E204-F207 PolarHBondContact O-N 3.41Å; F207-F211 WeakPolarHBondContact O-CB 3.1Å; F207-F211 PolarHBondContact O-N 3.46Å
208	F	98.3	Very high	98.2	Very high	39 Å²	39	57 Å²	57	17%	0.171	30%	0.3	C	S	.	.	H	α-helix	trans	-71.9	-31.7	-178.2	-75.6	-62.8	0	0	0	113.1	L34 I160 E204 I206 T212	L34-F208 HydrophobicContact CD1-CE2 3.74Å; L34-F208 HydrophobicContact CD1-CZ 3.47Å; L34-F208 VanDerWaalsContact CD1-CZ 3.47Å; L34-F208 HydrophobicContact CD2-CE2 4.15Å; L34-F208 HydrophobicContact CG-CE2 4.41Å; I160-F208 HydrophobicContact CG2-CB 4.26Å; E204-F208 HydrophobicContact CG-CD2 3.59Å; E204-F208 HydrophobicContact CG-CE2 3.76Å; E204-F208 VanDerWaalsContact O-CD2 3.3Å; E204-F208 WeakPolarHBondContact O-CD2 3.32Å; E204-F208 PolarHBondContact O-N 3.45Å; I206-F208 PolarHBondContact O-N 3.49Å; F208-T212 VanDerWaalsContact O-CB 3.31Å; F208-T212 WeakPolarHBondContact O-CB 3.07Å; F208-T212 WeakPolarHBondContact O-CG2 3.36Å; F208-T212 PolarHBondContact O-N 3.23Å; F208-T212 PolarHBondContact O-OG1 3.39Å
209	S	98.3	Very high	98.1	Very high	10 Å²	10	57 Å²	57	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-53.5	173.3	-179.2	0	0	0	0	110.9	M165 A205 I206 F211 T212 I213	M165-S209 WeakPolarHBondContact CG-OG 3.49Å; A205-S209 WeakPolarHBondContact O-CB 3.33Å; A205-S209 PolarHBondContact O-N 3.4Å; I206-S209 PolarHBondContact O-N 2.92Å; S209-F211 PolarHBondContact O-N 3.41Å; S209-T212 PolarHBondContact O-N 2.86Å; S209-I213 WeakPolarHBondContact O-CB 3.38Å; S209-I213 WeakPolarHBondContact O-CD1 3.5Å; S209-I213 WeakPolarHBondContact O-CG1 3.3Å; S209-I213 PolarHBondContact O-N 3.05Å
210	V	98.5	Very high	98	Very high	84 Å²	84	55.6 Å²	55.6	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-48.7	-179.7	175.3	0	0	0	0	110.9	I206 T212 I214	I206-V210 WeakPolarHBondContact O-CG2 3.37Å; I206-V210 PolarHBondContact O-N 2.89Å; I206-V210 VanDerWaalsContact O-N 3.11Å; V210-T212 PolarHBondContact O-N 3.03Å; V210-I214 HydrophobicContact CG1-CD1 3.94Å; V210-I214 WeakPolarHBondContact O-CG1 3.44Å; V210-I214 PolarHBondContact O-N 3.3Å; V210-I214 VanDerWaalsContact O-N 3.15Å
211	F	98.2	Very high	97.8	Very high	92 Å²	92	58.9 Å²	58.9	40%	0.404	30%	0.299	S	S	.	.	H	α-helix	trans	-58.7	-48.9	-179.2	176.4	-102.4	0	0	0	112	F207 S209 I214 I215	F207-F211 WeakPolarHBondContact O-CB 3.1Å; F207-F211 PolarHBondContact O-N 3.46Å; S209-F211 PolarHBondContact O-N 3.41Å; F211-I214 PolarHBondContact O-N 3.1Å; F211-I215 HydrophobicContact CE1-CG1 4.13Å; F211-I215 HydrophobicContact CE2-CD1 4.46Å; F211-I215 HydrophobicContact CE2-CG1 4.21Å; F211-I215 HydrophobicContact CZ-CD1 4.35Å; F211-I215 HydrophobicContact CZ-CG1 3.96Å; F211-I215 WeakPolarHBondContact O-CG1 3.29Å; F211-I215 PolarHBondContact O-N 3.46Å; F211-I215 VanDerWaalsContact O-N 3.09Å
212	T	98.4	Very high	97.5	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-76.7	-28.8	-175.4	58.4	0	0	0	0	113.6	I160 A161 F208 S209 V210 I215 F216	I160-T212 HydrophobicContact CB-CG2 3.92Å; I160-T212 HydrophobicContact CG2-CG2 3.49Å; I160-T212 VanDerWaalsContact CG2-CG2 3.49Å; A161-T212 WeakPolarHBondContact CA-OG1 3.33Å; A161-T212 WeakPolarHBondContact CB-OG1 3.48Å; A161-T212 PolarHBondContact N-OG1 3.35Å; F208-T212 VanDerWaalsContact O-CB 3.31Å; F208-T212 WeakPolarHBondContact O-CB 3.07Å; F208-T212 WeakPolarHBondContact O-CG2 3.36Å; F208-T212 PolarHBondContact O-N 3.23Å; F208-T212 PolarHBondContact O-OG1 3.39Å; S209-T212 PolarHBondContact O-N 2.86Å; V210-T212 PolarHBondContact O-N 3.03Å; T212-I215 PolarHBondContact O-N 2.88Å; T212-F216 WeakPolarHBondContact O-CB 3.3Å; T212-F216 PolarHBondContact O-N 2.95Å
213	I	98.6	Very high	97.3	Very high	67 Å²	67	56.5 Å²	56.5	34%	0.344	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-45.6	169.6	-71.9	166.7	0	0	0	110.3	A161 M165 S209 F216 C217	A161-I213 HydrophobicContact CB-CG1 3.81Å; M165-I213 HydrophobicContact SD-CD1 4.18Å; S209-I213 WeakPolarHBondContact O-CB 3.38Å; S209-I213 WeakPolarHBondContact O-CD1 3.5Å; S209-I213 WeakPolarHBondContact O-CG1 3.3Å; S209-I213 PolarHBondContact O-N 3.05Å; I213-F216 PolarHBondContact O-N 3Å; I213-C217 WeakPolarHBondContact O-CB 3.38Å; I213-C217 PolarHBondContact O-N 3.36Å; I213-C217 PolarHBondContact O-SG 2.99Å
214	I	98.3	Very high	96.9	Very high	92 Å²	92	57.9 Å²	57.9	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-50	178.3	-68.2	167.7	0	0	0	110.4	V210 F211 F216 C217 M218	V210-I214 HydrophobicContact CG1-CD1 3.94Å; V210-I214 WeakPolarHBondContact O-CG1 3.44Å; V210-I214 PolarHBondContact O-N 3.3Å; V210-I214 VanDerWaalsContact O-N 3.15Å; F211-I214 PolarHBondContact O-N 3.1Å; I214-F216 VanDerWaalsContact C-N 3.34Å; I214-F216 PolarHBondContact O-N 3.44Å; I214-C217 PolarHBondContact O-N 2.99Å; I214-M218 HydrophobicContact CG2-CG 4.41Å; I214-M218 HydrophobicContact CG2-SD 3.86Å; I214-M218 WeakPolarHBondContact O-CB 3.34Å; I214-M218 WeakPolarHBondContact O-CG 3.42Å; I214-M218 PolarHBondContact O-N 3.47Å
215	I	97.4	Very high	96.4	Very high	35 Å²	35	57 Å²	57	18%	0.179	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-43.5	178.7	-65.5	-64.2	0	0	0	111.2	F153 A157 F211 T212 M218 Q219	F153-I215 HydrophobicContact CE1-CG2 3.82Å; F153-I215 HydrophobicContact CZ-CG2 3.85Å; A157-I215 HydrophobicContact CB-CG2 4.21Å; F211-I215 HydrophobicContact CE1-CG1 4.13Å; F211-I215 HydrophobicContact CE2-CD1 4.46Å; F211-I215 HydrophobicContact CE2-CG1 4.21Å; F211-I215 HydrophobicContact CZ-CD1 4.35Å; F211-I215 HydrophobicContact CZ-CG1 3.96Å; F211-I215 WeakPolarHBondContact O-CG1 3.29Å; F211-I215 PolarHBondContact O-N 3.46Å; F211-I215 VanDerWaalsContact O-N 3.09Å; T212-I215 PolarHBondContact O-N 2.88Å; I215-M218 PolarHBondContact O-N 3.12Å; I215-Q219 HydrophobicContact CG2-CG 4.34Å; I215-Q219 WeakPolarHBondContact O-CB 3.34Å; I215-Q219 VanDerWaalsContact O-CG 3.28Å; I215-Q219 WeakPolarHBondContact O-CG 3.25Å; I215-Q219 PolarHBondContact O-N 3.38Å
216	F	98.2	Very high	95.9	Very high	52 Å²	52	58.9 Å²	58.9	23%	0.228	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-50.3	176.6	174.2	-100.9	0	0	0	111.4	V154 A157 F158 T212 I213 I214 M218 Q219 M220	V154-F216 HydrophobicContact CG1-CD2 3.78Å; V154-F216 HydrophobicContact CG1-CE2 3.62Å; A157-F216 HydrophobicContact CB-CB 4.08Å; F158-F216 HydrophobicContact CB-CD2 3.76Å; F158-F216 HydrophobicContact CB-CE2 3.75Å; F158-F216 HydrophobicContact CD2-CD2 4.3Å; F158-F216 HydrophobicContact CD2-CE1 4.37Å; F158-F216 AromaticContact CD2-CE2 3.82Å; F158-F216 HydrophobicContact CD2-CE2 3.82Å; F158-F216 AromaticContact CD2-CZ 3.84Å; F158-F216 HydrophobicContact CD2-CZ 3.84Å; F158-F216 HydrophobicContact CG-CD2 4.5Å; F158-F216 HydrophobicContact CG-CE2 4.1Å; T212-F216 WeakPolarHBondContact O-CB 3.3Å; T212-F216 PolarHBondContact O-N 2.95Å; I213-F216 PolarHBondContact O-N 3Å; I214-F216 VanDerWaalsContact C-N 3.34Å; I214-F216 PolarHBondContact O-N 3.44Å; F216-M218 PolarHBondContact O-N 3.33Å; F216-Q219 PolarHBondContact O-N 3.5Å; F216-M220 HydrophobicContact CD1-CG 4.3Å; F216-M220 HydrophobicContact CD2-CG 4.2Å; F216-M220 HydrophobicContact CE1-CG 3.9Å; F216-M220 HydrophobicContact CE2-CG 3.78Å; F216-M220 HydrophobicContact CE2-SD 4.12Å; F216-M220 HydrophobicContact CG-CG 4.44Å; F216-M220 HydrophobicContact CZ-CG 3.62Å; F216-M220 HydrophobicContact CZ-SD 4.17Å; F216-M220 WeakPolarHBondContact O-CB 3.45Å; F216-M220 VanDerWaalsContact O-CG 3.29Å; F216-M220 WeakPolarHBondContact O-CG 3.43Å; F216-M220 PolarHBondContact O-N 3.38Å
217	C	97.8	Very high	95.3	Very high	71 Å²	71	57.4 Å²	57.4	48%	0.48	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-43.4	178.5	-72.4	0	0	0	0	112.1	I213 I214 M220 Y221	I213-C217 WeakPolarHBondContact O-CB 3.38Å; I213-C217 PolarHBondContact O-N 3.36Å; I213-C217 PolarHBondContact O-SG 2.99Å; I214-C217 PolarHBondContact O-N 2.99Å; C217-M220 PolarHBondContact O-N 2.9Å; C217-Y221 WeakPolarHBondContact O-CB 3.49Å; C217-Y221 PolarHBondContact O-N 3.34Å
218	M	96.1	Very high	94.6	Very high	93 Å²	93	51.7 Å²	51.7	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-46.5	175.5	-77.3	176.1	42.2	0	0	112	I214 I215 F216 Y221 A222	I214-M218 HydrophobicContact CG2-CG 4.41Å; I214-M218 HydrophobicContact CG2-SD 3.86Å; I214-M218 WeakPolarHBondContact O-CB 3.34Å; I214-M218 WeakPolarHBondContact O-CG 3.42Å; I214-M218 PolarHBondContact O-N 3.47Å; I215-M218 PolarHBondContact O-N 3.12Å; F216-M218 PolarHBondContact O-N 3.33Å; M218-Y221 PolarHBondContact O-N 2.86Å; M218-A222 WeakPolarHBondContact O-CB 3.46Å; M218-A222 PolarHBondContact O-N 2.87Å
219	Q	96.6	Very high	93.9	Very high	5 Å²	5	51.6 Å²	51.6	2%	0.023	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-41.9	178	-71.3	-64.4	115.6	0	0	111.9	D135 F153 V154 I215 F216 Y221 A222 I223	D135-Q219 PolarHBondContact OD2-OE1 3.2Å; F153-Q219 HydrophobicContact CD1-CG 3.9Å; F153-Q219 HydrophobicContact CE1-CG 3.73Å; V154-Q219 HydrophobicContact CG2-CB 3.72Å; V154-Q219 HydrophobicContact CG2-CG 4.3Å; I215-Q219 HydrophobicContact CG2-CG 4.34Å; I215-Q219 WeakPolarHBondContact O-CB 3.34Å; I215-Q219 VanDerWaalsContact O-CG 3.28Å; I215-Q219 WeakPolarHBondContact O-CG 3.25Å; I215-Q219 PolarHBondContact O-N 3.38Å; F216-Q219 PolarHBondContact O-N 3.5Å; Q219-Y221 VanDerWaalsContact C-N 3.31Å; Q219-Y221 PolarHBondContact O-N 3.23Å; Q219-A222 PolarHBondContact O-N 3.28Å; Q219-I223 WeakPolarHBondContact O-CD1 3.46Å; Q219-I223 WeakPolarHBondContact O-CG1 3.3Å; Q219-I223 PolarHBondContact O-N 3.01Å
220	M	96	Very high	93	Very high	58 Å²	58	52.8 Å²	52.8	29%	0.286	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-40.3	176.4	-72.5	-57.5	-64.4	0	0	111.4	V154 F216 C217 I223 Y224 L250 F254	V154-M220 HydrophobicContact CG1-SD 3.87Å; F216-M220 HydrophobicContact CD1-CG 4.3Å; F216-M220 HydrophobicContact CD2-CG 4.2Å; F216-M220 HydrophobicContact CE1-CG 3.9Å; F216-M220 HydrophobicContact CE2-CG 3.78Å; F216-M220 HydrophobicContact CE2-SD 4.12Å; F216-M220 HydrophobicContact CG-CG 4.44Å; F216-M220 HydrophobicContact CZ-CG 3.62Å; F216-M220 HydrophobicContact CZ-SD 4.17Å; F216-M220 WeakPolarHBondContact O-CB 3.45Å; F216-M220 VanDerWaalsContact O-CG 3.29Å; F216-M220 WeakPolarHBondContact O-CG 3.43Å; F216-M220 PolarHBondContact O-N 3.38Å; C217-M220 PolarHBondContact O-N 2.9Å; M220-I223 PolarHBondContact O-N 3.47Å; M220-Y224 VanDerWaalsContact O-CB 3.25Å; M220-Y224 WeakPolarHBondContact O-CB 3.22Å; M220-Y224 PolarHBondContact O-N 3.39Å; M220-L250 HydrophobicContact CE-CD2 3.98Å; M220-F254 HydrophobicContact SD-CE2 4.32Å; M220-F254 HydrophobicContact SD-CZ 4.06Å
221	Y	93.9	Very high	92.2	Very high	134 Å²	134	49.7 Å²	49.7	53%	0.525	24%	0.243	S	C	.	.	H	α-helix	trans	-63.7	-46.8	173.8	178.5	-101.7	0	0	0	112	C217 M218 Q219 I223 Y224 T225	C217-Y221 WeakPolarHBondContact O-CB 3.49Å; C217-Y221 PolarHBondContact O-N 3.34Å; M218-Y221 PolarHBondContact O-N 2.86Å; Q219-Y221 VanDerWaalsContact C-N 3.31Å; Q219-Y221 PolarHBondContact O-N 3.23Å; Y221-I223 VanDerWaalsContact C-N 3.31Å; Y221-I223 PolarHBondContact O-N 3.2Å; Y221-Y224 WeakPolarHBondContact O-CB 3.42Å; Y221-Y224 PolarHBondContact O-N 2.92Å; Y221-Y224 VanDerWaalsContact O-N 3.12Å; Y221-T225 HydrophobicContact CD2-CG2 4.3Å; Y221-T225 HydrophobicContact CE1-CG2 4.11Å; Y221-T225 HydrophobicContact CE2-CG2 3.81Å; Y221-T225 PolarHBondContact O-N 2.9Å; Y221-T225 PolarHBondContact O-OG1 3.37Å; Y221-T225 VanDerWaalsContact O-OG1 3.11Å
222	A	92.6	Very high	91.4	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-41.5	176.3	0	0	0	0	0	112.3	M218 Q219 T225 D226 E227	M218-A222 WeakPolarHBondContact O-CB 3.46Å; M218-A222 PolarHBondContact O-N 2.87Å; Q219-A222 PolarHBondContact O-N 3.28Å; A222-T225 PolarHBondContact O-OG1 3.41Å; A222-D226 WeakPolarHBondContact O-CA 3.41Å; A222-D226 PolarHBondContact O-N 3.48Å; A222-E227 VanDerWaalsContact CB-O 3.3Å; A222-E227 WeakPolarHBondContact CB-O 3.38Å; A222-E227 PolarHBondContact O-N 2.87Å
223	I	93	Very high	90.5	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-44.1	174.5	-64.3	165.4	0	0	0	110.6	Q150 V154 Q219 M220 Y221 T225 D226 S249 L250 V253 F254	Q150-I223 HydrophobicContact CG-CD1 4.27Å; V154-I223 HydrophobicContact CG2-CD1 3.82Å; Q219-I223 WeakPolarHBondContact O-CD1 3.46Å; Q219-I223 WeakPolarHBondContact O-CG1 3.3Å; Q219-I223 PolarHBondContact O-N 3.01Å; M220-I223 PolarHBondContact O-N 3.47Å; Y221-I223 VanDerWaalsContact C-N 3.31Å; Y221-I223 PolarHBondContact O-N 3.2Å; I223-T225 VanDerWaalsContact C-N 3.27Å; I223-T225 PolarHBondContact O-N 2.98Å; I223-D226 PolarHBondContact O-N 2.96Å; I223-D226 VanDerWaalsContact O-N 3.13Å; I223-S249 WeakPolarHBondContact O-CB 3.36Å; I223-L250 HydrophobicContact CG2-CD2 3.84Å; I223-L250 HydrophobicContact CG2-CG 4.42Å; I223-V253 HydrophobicContact CD1-CB 4.43Å; I223-V253 HydrophobicContact CD1-CG1 4.02Å; I223-V253 HydrophobicContact CD1-CG2 4.23Å; I223-V253 HydrophobicContact CG1-CG2 4.08Å; I223-V253 HydrophobicContact CG2-CB 4.41Å; I223-V253 HydrophobicContact CG2-CG2 3.9Å; I223-F254 HydrophobicContact CD1-CE2 4.18Å; I223-F254 HydrophobicContact CD1-CZ 4.3Å
224	Y	91.1	Very high	89.6	Confident	110 Å²	110	56 Å²	56	43%	0.431	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-37.9	179.1	179.7	-95.7	0	0	0	112.3	M220 Y221 H246	M220-Y224 VanDerWaalsContact O-CB 3.25Å; M220-Y224 WeakPolarHBondContact O-CB 3.22Å; M220-Y224 PolarHBondContact O-N 3.39Å; Y221-Y224 WeakPolarHBondContact O-CB 3.42Å; Y221-Y224 PolarHBondContact O-N 2.92Å; Y221-Y224 VanDerWaalsContact O-N 3.12Å; Y224-H246 AromaticContact CD1-ND1 3.75Å; Y224-H246 HydrophobicContact CD2-CB 3.85Å; Y224-H246 AromaticContact CD2-CG 3.9Å; Y224-H246 AromaticContact CD2-ND1 3.81Å; Y224-H246 AromaticContact CE1-CE1 3.38Å; Y224-H246 WeakPolarHBondContact CE1-CE1 3.35Å; Y224-H246 AromaticContact CE1-ND1 3.47Å; Y224-H246 WeakPolarHBondContact CE1-ND1 3.37Å; Y224-H246 AromaticContact CE1-NE2 3.96Å; Y224-H246 HydrophobicContact CE2-CB 3.54Å; Y224-H246 AromaticContact CE2-CD2 3.87Å; Y224-H246 AromaticContact CE2-CG 3.35Å; Y224-H246 AromaticContact CE2-ND1 3.54Å; Y224-H246 AromaticContact CG-ND1 3.91Å; Y224-H246 AromaticContact CZ-CD2 3.59Å; Y224-H246 AromaticContact CZ-CE1 3.44Å; Y224-H246 VanDerWaalsContact CZ-CE1 3.44Å; Y224-H246 AromaticContact CZ-CG 3.44Å; Y224-H246 VanDerWaalsContact CZ-CG 3.44Å; Y224-H246 AromaticContact CZ-ND1 3.35Å; Y224-H246 VanDerWaalsContact CZ-ND1 3.35Å; Y224-H246 AromaticContact CZ-NE2 3.63Å; Y224-H246 PolarHBondContact O-ND1 3.44Å; Y224-H246 PolarHBondContact OH-CD2 2.91Å; Y224-H246 VanDerWaalsContact OH-CD2 3.31Å; Y224-H246 PolarHBondContact OH-NE2 3.29Å
225	T	88.5	Confident	88.1	Confident	20 Å²	20	59 Å²	59	12%	0.123	29%	0.285	C	S	.	.	H	α-helix	trans	-87.9	-12.2	176.5	61.3	0	0	0	0	113.4	Y221 A222 I223 E227 R238	Y221-T225 HydrophobicContact CD2-CG2 4.3Å; Y221-T225 HydrophobicContact CE1-CG2 4.11Å; Y221-T225 HydrophobicContact CE2-CG2 3.81Å; Y221-T225 PolarHBondContact O-N 2.9Å; Y221-T225 PolarHBondContact O-OG1 3.37Å; Y221-T225 VanDerWaalsContact O-OG1 3.11Å; A222-T225 PolarHBondContact O-OG1 3.41Å; I223-T225 VanDerWaalsContact C-N 3.27Å; I223-T225 PolarHBondContact O-N 2.98Å; T225-E227 VanDerWaalsContact C-N 3.29Å; T225-R238 PolarHBondContact O-NH2 3.03Å
226	D	88	Confident	86.4	Confident	44 Å²	44	62.6 Å²	62.6	24%	0.235	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	40.5	-168.4	-175.8	44.9	0	0	0	112.8	R120 K133 A222 I223	R120-D226 IonicContact CZ-OD1 3.26Å; R120-D226 VanDerWaalsContact NH1-CG 3.34Å; R120-D226 IonicContact NH1-OD1 2.83Å; R120-D226 PolarHBondContact NH1-OD1 3.43Å; R120-D226 IonicContact NH1-OD2 3.25Å; R120-D226 PolarHBondContact NH1-OD2 3.06Å; R120-D226 VanDerWaalsContact NH1-OD2 3.13Å; R120-D226 PolarHBondContact NH2-O 2.96Å; R120-D226 IonicContact NH2-OD1 2.75Å; K133-D226 IonicContact NZ-OD1 3.76Å; K133-D226 PolarHBondContact NZ-OD1 3.33Å; A222-D226 WeakPolarHBondContact O-CA 3.41Å; A222-D226 PolarHBondContact O-N 3.48Å; I223-D226 PolarHBondContact O-N 2.96Å; I223-D226 VanDerWaalsContact O-N 3.13Å
227	E	85.2	Confident	84.3	Confident	53 Å²	53	70.6 Å²	70.6	25%	0.248	33%	0.33	C	S	.	.			trans	-117.8	135.2	176	-66.6	178.1	173.9	0	0	110.4	A222 T225 Q232 R238	A222-E227 VanDerWaalsContact CB-O 3.3Å; A222-E227 WeakPolarHBondContact CB-O 3.38Å; A222-E227 PolarHBondContact O-N 2.87Å; T225-E227 VanDerWaalsContact C-N 3.29Å; E227-Q232 HydrophobicContact CB-CG 4.04Å; E227-R238 IonicContact OE1-CZ 3.77Å; E227-R238 IonicContact OE1-NE 2.62Å; E227-R238 PolarHBondContact OE1-NE 2.89Å; E227-R238 VanDerWaalsContact OE1-NE 3.14Å; E227-R238 IonicContact OE1-NH2 3.36Å; E227-R238 PolarHBondContact OE1-NH2 3.43Å
228	T	84.3	Confident	82.1	Confident	9 Å²	9	72.1 Å²	72.1	6%	0.055	33%	0.325	C	S	.	.			trans	-82.5	158.8	168.1	75.1	0	0	0	0	110.4	K133 M134 I230 E231 Q232	K133-T228 HydrophobicContact CB-CG2 4.22Å; M134-T228 WeakPolarHBondContact O-CB 3.37Å; M134-T228 PolarHBondContact O-OG1 3.48Å; T228-I230 PolarHBondContact O-N 3.5Å; T228-I230 VanDerWaalsContact O-N 3.17Å; T228-I230 PolarHBondContact OG1-N 2.94Å; T228-E231 PolarHBondContact N-OE2 3.07Å; T228-E231 WeakPolarHBondContact O-CB 3.37Å; T228-E231 PolarHBondContact O-N 3.46Å; T228-E231 PolarHBondContact OG1-N 2.92Å; T228-Q232 PolarHBondContact O-N 2.92Å
229	T	82.2	Confident	80	Confident	37 Å²	37	74.1 Å²	74.1	23%	0.227	34%	0.343	C	S	.	.	H	α-helix	trans	-52.7	-37.4	173.9	-59.6	0	0	0	0	111.5	D135 Q232 L233	D135-T229 VanDerWaalsContact OD1-CB 3.26Å; D135-T229 WeakPolarHBondContact OD1-CB 3.13Å; D135-T229 PolarHBondContact OD1-N 2.87Å; D135-T229 PolarHBondContact OD1-OG1 2.84Å; D135-T229 PolarHBondContact OD2-OG1 2.86Å; T229-Q232 PolarHBondContact O-N 3Å; T229-L233 HydrophobicContact CG2-CD1 4.21Å; T229-L233 VanDerWaalsContact O-CG 3.29Å; T229-L233 WeakPolarHBondContact O-CG 3.45Å; T229-L233 PolarHBondContact O-N 2.83Å
230	I	80.8	Confident	78.1	Confident	35 Å²	35	77.5 Å²	77.5	18%	0.179	38%	0.38	C	S	.	.	H	α-helix	trans	-65.8	-40.3	177.2	-59.6	174.2	0	0	0	111.7	H122 M134 D135 T228 K234	H122-I230 HydrophobicContact CB-CD1 4Å; H122-I230 VanDerWaalsContact CE1-CG2 3.46Å; H122-I230 WeakPolarHBondContact CE1-CG2 3.28Å; M134-I230 HydrophobicContact CB-CD1 4.36Å; M134-I230 HydrophobicContact CG-CD1 4.25Å; D135-I230 WeakPolarHBondContact O-CG1 3.17Å; T228-I230 PolarHBondContact O-N 3.5Å; T228-I230 VanDerWaalsContact O-N 3.17Å; T228-I230 PolarHBondContact OG1-N 2.94Å; I230-K234 HydrophobicContact CG2-CD 4.04Å; I230-K234 HydrophobicContact CG2-CG 4.5Å; I230-K234 VanDerWaalsContact O-CG 3.28Å; I230-K234 WeakPolarHBondContact O-CG 3.33Å; I230-K234 PolarHBondContact O-N 3.19Å; I230-K234 VanDerWaalsContact O-N 3.14Å
231	E	82	Confident	76.3	Confident	19 Å²	19	79 Å²	79	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-68.2	-40.2	178.5	-69.1	173.7	137.9	0	0	111.5	R120 T228 K234 H235 K241	R120-E231 WeakPolarHBondContact CD-OE1 3.39Å; R120-E231 VanDerWaalsContact CG-OE1 3.25Å; R120-E231 WeakPolarHBondContact CG-OE1 3.18Å; R120-E231 IonicContact CZ-OE1 3.42Å; R120-E231 IonicContact CZ-OE2 3.79Å; R120-E231 IonicContact NE-OE1 3.83Å; R120-E231 PolarHBondContact NE-OE1 2.63Å; R120-E231 IonicContact NE-OE2 3.19Å; R120-E231 PolarHBondContact NE-OE2 3.14Å; R120-E231 IonicContact NH2-OE1 3.14Å; R120-E231 IonicContact NH2-OE2 2.79Å; R120-E231 PolarHBondContact NH2-OE2 2.66Å; T228-E231 PolarHBondContact N-OE2 3.07Å; T228-E231 WeakPolarHBondContact O-CB 3.37Å; T228-E231 PolarHBondContact O-N 3.46Å; T228-E231 PolarHBondContact OG1-N 2.92Å; E231-K234 PolarHBondContact O-N 3.35Å; E231-H235 PolarHBondContact O-N 3.11Å; E231-K241 IonicContact OE1-NZ 3.13Å; E231-K241 PolarHBondContact OE1-NZ 2.97Å
232	Q	79.9	Confident	74.9	Confident	66 Å²	66	78.4 Å²	78.4	31%	0.308	39%	0.394	S	S	.	.	H	α-helix	trans	-59.2	-47	174.8	-69.3	177.1	-8	0	0	111.4	E227 T228 T229 K234 H235	E227-Q232 HydrophobicContact CB-CG 4.04Å; T228-Q232 PolarHBondContact O-N 2.92Å; T229-Q232 PolarHBondContact O-N 3Å; Q232-K234 VanDerWaalsContact C-N 3.33Å; Q232-K234 PolarHBondContact O-N 3.41Å; Q232-H235 PolarHBondContact O-N 3.45Å
233	L	80.5	Confident	73.4	Confident	132 Å²	132	87.7 Å²	87.7	69%	0.691	43%	0.429	S	S	*	.	H	α-helix	trans	-65.5	-34.1	180	-73.2	172.2	0	0	0	113.4	T229 H235	T229-L233 HydrophobicContact CG2-CD1 4.21Å; T229-L233 VanDerWaalsContact O-CG 3.29Å; T229-L233 WeakPolarHBondContact O-CG 3.45Å; T229-L233 PolarHBondContact O-N 2.83Å; L233-H235 VanDerWaalsContact C-N 3.27Å; L233-H235 PolarHBondContact O-N 3.47Å
234	K	78.3	Confident	72.4	Confident	103 Å²	103	92.5 Å²	92.5	45%	0.448	45%	0.451	S	S	.	.	H	α-helix	trans	-79.8	-8.9	-178.9	-72.8	175.1	157.3	-156.3	0	113.8	I230 E231 Q232 E236	I230-K234 HydrophobicContact CG2-CD 4.04Å; I230-K234 HydrophobicContact CG2-CG 4.5Å; I230-K234 VanDerWaalsContact O-CG 3.28Å; I230-K234 WeakPolarHBondContact O-CG 3.33Å; I230-K234 PolarHBondContact O-N 3.19Å; I230-K234 VanDerWaalsContact O-N 3.14Å; E231-K234 PolarHBondContact O-N 3.35Å; Q232-K234 VanDerWaalsContact C-N 3.33Å; Q232-K234 PolarHBondContact O-N 3.41Å; K234-E236 HydrophobicContact CB-CG 3.94Å; K234-E236 HydrophobicContact CD-CG 4.36Å; K234-E236 VanDerWaalsContact CD-OE1 3.27Å; K234-E236 WeakPolarHBondContact CD-OE1 3.49Å; K234-E236 IonicContact NZ-OE1 2.69Å; K234-E236 PolarHBondContact NZ-OE1 2.98Å; K234-E236 PolarHBondContact O-N 3.22Å
235	H	67.3	Low	72.1	Confident	155 Å²	155	90.6 Å²	90.6	72%	0.718	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	34	-171.9	-60.3	-77	0	0	0	112.7	E231 Q232 L233 R237	E231-H235 PolarHBondContact O-N 3.11Å; Q232-H235 PolarHBondContact O-N 3.45Å; L233-H235 VanDerWaalsContact C-N 3.27Å; L233-H235 PolarHBondContact O-N 3.47Å; H235-R237 PolarHBondContact O-N 2.64Å
236	E	62.7	Low	71.9	Confident	111 Å²	111	93 Å²	93	52%	0.519	46%	0.463	S	S	.	.			trans	-65.6	88	177	-82.5	176.5	-168.8	0	0	107.3	K234 R238	K234-E236 HydrophobicContact CB-CG 3.94Å; K234-E236 HydrophobicContact CD-CG 4.36Å; K234-E236 VanDerWaalsContact CD-OE1 3.27Å; K234-E236 WeakPolarHBondContact CD-OE1 3.49Å; K234-E236 IonicContact NZ-OE1 2.69Å; K234-E236 PolarHBondContact NZ-OE1 2.98Å; K234-E236 PolarHBondContact O-N 3.22Å; E236-R238 PolarHBondContact O-N 2.97Å
237	R	53.2	Low	71.9	Confident	220 Å²	220	94.6 Å²	94.6	83%	0.83	47%	0.472	S	S	*	.			trans	-54.7	133	-179.2	-71.7	-177.8	-179	-178.6	0.1	108.4	H235 T239	H235-R237 PolarHBondContact O-N 2.64Å; R237-T239 PolarHBondContact O-N 3.49Å
238	R	52.6	Low	71.9	Confident	102 Å²	102	94.1 Å²	94.1	39%	0.385	47%	0.474	S	S	.	.			trans	-66	51.9	179.3	-61.9	-179.5	-172.9	-158.5	2.9	113.3	T225 E227 E236 G240	T225-R238 PolarHBondContact O-NH2 3.03Å; E227-R238 IonicContact OE1-CZ 3.77Å; E227-R238 IonicContact OE1-NE 2.62Å; E227-R238 PolarHBondContact OE1-NE 2.89Å; E227-R238 VanDerWaalsContact OE1-NE 3.14Å; E227-R238 IonicContact OE1-NH2 3.36Å; E227-R238 PolarHBondContact OE1-NH2 3.43Å; E236-R238 PolarHBondContact O-N 2.97Å; R238-G240 PolarHBondContact O-N 3.41Å
239	T	52.2	Low	72.1	Confident	135 Å²	135	94.1 Å²	94.1	83%	0.828	47%	0.474	S	S	*	.	S	Bend	trans	-68.9	90	170.3	53.1	0	0	0	0	107.7	R237	R237-T239 PolarHBondContact O-N 3.49Å
240	G	55.4	Low	72.5	Confident	77 Å²	77	94 Å²	94	79%	0.794	47%	0.472	S	S	*	.	S	Bend	trans	102.4	9.6	169.7	0	0	0	0	0	117.9	R238	R238-G240 PolarHBondContact O-N 3.41Å
241	K	59.5	Low	73	Confident	88 Å²	88	95.4 Å²	95.4	38%	0.383	48%	0.477	S	S	.	.			trans	-81.1	135.6	172.6	-74.8	-173.9	178.3	175.2	0	111.2	E119 E231 R243	E119-K241 WeakPolarHBondContact OE1-CE 3.28Å; E119-K241 IonicContact OE1-NZ 3.36Å; E231-K241 IonicContact OE1-NZ 3.13Å; E231-K241 PolarHBondContact OE1-NZ 2.97Å; K241-R243 PolarHBondContact O-N 3.25Å
242	V	63.9	Low	73.3	Confident	122 Å²	122	96.8 Å²	96.8	74%	0.739	49%	0.492	S	S	*	.			trans	-62.4	122.3	174	177.8	0	0	0	0	109	H244	V242-H244 PolarHBondContact O-N 3.43Å
243	R	61.3	Low	73.8	Confident	199 Å²	199	94.4 Å²	94.4	75%	0.751	48%	0.482	S	S	*	.			trans	-78.1	103.6	176.9	-162.2	173.4	92.5	162.5	5.9	108.9	K241	K241-R243 PolarHBondContact O-N 3.25Å
244	H	70.9	Confident	74.4	Confident	105 Å²	105	88.9 Å²	88.9	49%	0.486	45%	0.452	S	S	.	.			trans	-63.2	147.8	168.4	-69.5	-71.4	0	0	0	110.2	V242	V242-H244 PolarHBondContact O-N 3.43Å
245	S	84.4	Confident	74.9	Confident	71 Å²	71	84.3 Å²	84.3	50%	0.497	43%	0.434	S	S	.	.			trans	-63.2	148	169.9	73.6	0	0	0	0	110	L247 S248 S249	S245-L247 PolarHBondContact O-N 3.29Å; S245-S248 WeakPolarHBondContact CA-OG 3.38Å; S245-S248 PolarHBondContact N-OG 2.91Å; S245-S248 PolarHBondContact O-N 3.36Å; S245-S248 PolarHBondContact O-OG 3.46Å; S245-S248 WeakPolarHBondContact OG-CB 3.11Å; S245-S248 PolarHBondContact OG-N 2.94Å; S245-S248 VanDerWaalsContact OG-N 3.1Å; S245-S248 PolarHBondContact OG-OG 2.92Å; S245-S249 PolarHBondContact O-N 3.43Å; S245-S249 VanDerWaalsContact O-N 3.16Å; S245-S249 PolarHBondContact O-OG 2.85Å
246	H	85.9	Confident	75.8	Confident	69 Å²	69	80.2 Å²	80.2	32%	0.319	42%	0.418	S	S	.	.	H	α-helix	trans	-56	-38.1	178.3	-61.1	-61	0	0	0	112.3	Y224 S248 S249 L250	Y224-H246 AromaticContact CD1-ND1 3.75Å; Y224-H246 HydrophobicContact CD2-CB 3.85Å; Y224-H246 AromaticContact CD2-CG 3.9Å; Y224-H246 AromaticContact CD2-ND1 3.81Å; Y224-H246 AromaticContact CE1-CE1 3.38Å; Y224-H246 WeakPolarHBondContact CE1-CE1 3.35Å; Y224-H246 AromaticContact CE1-ND1 3.47Å; Y224-H246 WeakPolarHBondContact CE1-ND1 3.37Å; Y224-H246 AromaticContact CE1-NE2 3.96Å; Y224-H246 HydrophobicContact CE2-CB 3.54Å; Y224-H246 AromaticContact CE2-CD2 3.87Å; Y224-H246 AromaticContact CE2-CG 3.35Å; Y224-H246 AromaticContact CE2-ND1 3.54Å; Y224-H246 AromaticContact CG-ND1 3.91Å; Y224-H246 AromaticContact CZ-CD2 3.59Å; Y224-H246 AromaticContact CZ-CE1 3.44Å; Y224-H246 VanDerWaalsContact CZ-CE1 3.44Å; Y224-H246 AromaticContact CZ-CG 3.44Å; Y224-H246 VanDerWaalsContact CZ-CG 3.44Å; Y224-H246 AromaticContact CZ-ND1 3.35Å; Y224-H246 VanDerWaalsContact CZ-ND1 3.35Å; Y224-H246 AromaticContact CZ-NE2 3.63Å; Y224-H246 PolarHBondContact O-ND1 3.44Å; Y224-H246 PolarHBondContact OH-CD2 2.91Å; Y224-H246 VanDerWaalsContact OH-CD2 3.31Å; Y224-H246 PolarHBondContact OH-NE2 3.29Å; H246-S248 PolarHBondContact O-N 2.92Å; H246-S249 PolarHBondContact O-N 3.19Å; H246-L250 PolarHBondContact O-N 3.43Å; H246-L250 VanDerWaalsContact O-N 3.16Å
247	L	86.9	Confident	76.9	Confident	79 Å²	79	82.6 Å²	82.6	41%	0.414	43%	0.427	S	S	.	.	H	α-helix	trans	-66.3	-37.1	176.6	-178	59.6	0	0	0	112.4	S245 S249 L250 K251 I258	S245-L247 PolarHBondContact O-N 3.29Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 2.96Å; L247-L250 PolarHBondContact O-N 3.34Å; L247-K251 HydrophobicContact CD1-CG 4.38Å; L247-K251 HydrophobicContact CG-CD 4.3Å; L247-K251 WeakPolarHBondContact O-CB 3.37Å; L247-K251 WeakPolarHBondContact O-CG 3.27Å; L247-K251 PolarHBondContact O-N 3.37Å; L247-I258 HydrophobicContact CD1-CD1 3.97Å
248	S	86.5	Confident	78.5	Confident	42 Å²	42	77.7 Å²	77.7	29%	0.294	42%	0.416	S	S	.	.	H	α-helix	trans	-65.7	-34.2	175.1	47.2	0	0	0	0	112.5	S245 H246 K251 A252	S245-S248 WeakPolarHBondContact CA-OG 3.38Å; S245-S248 PolarHBondContact N-OG 2.91Å; S245-S248 PolarHBondContact O-N 3.36Å; S245-S248 PolarHBondContact O-OG 3.46Å; S245-S248 WeakPolarHBondContact OG-CB 3.11Å; S245-S248 PolarHBondContact OG-N 2.94Å; S245-S248 VanDerWaalsContact OG-N 3.1Å; S245-S248 PolarHBondContact OG-OG 2.92Å; H246-S248 PolarHBondContact O-N 2.92Å; S248-K251 PolarHBondContact O-N 3.02Å; S248-A252 WeakPolarHBondContact O-CB 3.46Å; S248-A252 PolarHBondContact O-N 2.91Å
249	S	88.1	Confident	80.2	Confident	9 Å²	9	75.1 Å²	75.1	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-67.5	-42.3	175.8	-49.7	0	0	0	0	111.9	I223 S245 H246 L247 A252 V253	I223-S249 WeakPolarHBondContact O-CB 3.36Å; S245-S249 PolarHBondContact O-N 3.43Å; S245-S249 VanDerWaalsContact O-N 3.16Å; S245-S249 PolarHBondContact O-OG 2.85Å; H246-S249 PolarHBondContact O-N 3.19Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 2.96Å; S249-A252 WeakPolarHBondContact O-CB 3.34Å; S249-A252 PolarHBondContact O-N 2.94Å; S249-V253 PolarHBondContact O-N 3.43Å
250	L	90.8	Very high	82	Confident	34 Å²	34	75.9 Å²	75.9	18%	0.178	41%	0.411	C	S	.	.	H	α-helix	trans	-62.3	-46.1	173.8	-71.9	168.1	0	0	0	111.7	M220 I223 H246 L247 A252 V253 F254 W262	M220-L250 HydrophobicContact CE-CD2 3.98Å; I223-L250 HydrophobicContact CG2-CD2 3.84Å; I223-L250 HydrophobicContact CG2-CG 4.42Å; H246-L250 PolarHBondContact O-N 3.43Å; H246-L250 VanDerWaalsContact O-N 3.16Å; L247-L250 PolarHBondContact O-N 3.34Å; L250-A252 VanDerWaalsContact C-N 3.27Å; L250-A252 PolarHBondContact O-N 3.37Å; L250-V253 PolarHBondContact O-N 2.98Å; L250-V253 VanDerWaalsContact O-N 3.11Å; L250-F254 HydrophobicContact CD2-CD2 4.21Å; L250-F254 HydrophobicContact CD2-CE2 3.93Å; L250-F254 WeakPolarHBondContact O-CD2 3.28Å; L250-F254 PolarHBondContact O-N 3.4Å; L250-W262 HydrophobicContact CB-CH2 3.91Å; L250-W262 HydrophobicContact CB-CZ3 4.28Å
251	K	91	Very high	83.7	Confident	65 Å²	65	77.2 Å²	77.2	28%	0.283	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-34.9	177.5	-74.4	-178.7	177	-162.5	0	112.9	L247 S248 V253 G255 D256 W262	L247-K251 HydrophobicContact CD1-CG 4.38Å; L247-K251 HydrophobicContact CG-CD 4.3Å; L247-K251 WeakPolarHBondContact O-CB 3.37Å; L247-K251 WeakPolarHBondContact O-CG 3.27Å; L247-K251 PolarHBondContact O-N 3.37Å; S248-K251 PolarHBondContact O-N 3.02Å; K251-V253 PolarHBondContact O-N 3.01Å; K251-G255 WeakPolarHBondContact CA-O 3.4Å; K251-G255 CarbonylContact O-C 3.55Å; K251-G255 VanDerWaalsContact O-C 3.32Å; K251-G255 VanDerWaalsContact O-CA 3.27Å; K251-G255 WeakPolarHBondContact O-CA 3.49Å; K251-G255 PolarHBondContact O-N 2.75Å; K251-D256 WeakPolarHBondContact CD-O 3.19Å; K251-D256 WeakPolarHBondContact CE-O 3.39Å; K251-D256 PolarHBondContact NZ-O 3.48Å; K251-W262 HydrophobicContact CG-CZ2 4.17Å
252	A	87.8	Confident	85.3	Confident	49 Å²	49	74.9 Å²	74.9	41%	0.405	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-31.2	176.4	0	0	0	0	0	112.6	S248 S249 L250	S248-A252 WeakPolarHBondContact O-CB 3.46Å; S248-A252 PolarHBondContact O-N 2.91Å; S249-A252 WeakPolarHBondContact O-CB 3.34Å; S249-A252 PolarHBondContact O-N 2.94Å; L250-A252 VanDerWaalsContact C-N 3.27Å; L250-A252 PolarHBondContact O-N 3.37Å
253	V	91.4	Very high	86.8	Confident	16 Å²	16	72.8 Å²	72.8	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-92	-49	179.8	179	0	0	0	0	112	Q150 K151 I223 S249 L250 K251	Q150-V253 HydrophobicContact CB-CG1 4.23Å; Q150-V253 HydrophobicContact CG-CG1 4.29Å; K151-V253 HydrophobicContact CB-CG1 4.11Å; I223-V253 HydrophobicContact CD1-CB 4.43Å; I223-V253 HydrophobicContact CD1-CG1 4.02Å; I223-V253 HydrophobicContact CD1-CG2 4.23Å; I223-V253 HydrophobicContact CG1-CG2 4.08Å; I223-V253 HydrophobicContact CG2-CB 4.41Å; I223-V253 HydrophobicContact CG2-CG2 3.9Å; S249-V253 PolarHBondContact O-N 3.43Å; L250-V253 PolarHBondContact O-N 2.98Å; L250-V253 VanDerWaalsContact O-N 3.11Å; K251-V253 PolarHBondContact O-N 3.01Å
254	F	92.8	Very high	88.5	Confident	15 Å²	15	66 Å²	66	7%	0.066	35%	0.349	C	S	.	.	H	α-helix	trans	-94.6	-20.2	-169.8	-63.6	-76.8	0	0	0	114.4	K151 V154 M220 I223 L250 W262	K151-F254 HydrophobicContact CD-CD1 4.5Å; K151-F254 HydrophobicContact CG-CD1 3.96Å; K151-F254 HydrophobicContact CG-CE1 4.31Å; V154-F254 HydrophobicContact CB-CE1 4.48Å; V154-F254 HydrophobicContact CB-CZ 4.32Å; V154-F254 HydrophobicContact CG1-CE1 4.28Å; V154-F254 HydrophobicContact CG1-CZ 3.92Å; M220-F254 HydrophobicContact SD-CE2 4.32Å; M220-F254 HydrophobicContact SD-CZ 4.06Å; I223-F254 HydrophobicContact CD1-CE2 4.18Å; I223-F254 HydrophobicContact CD1-CZ 4.3Å; L250-F254 HydrophobicContact CD2-CD2 4.21Å; L250-F254 HydrophobicContact CD2-CE2 3.93Å; L250-F254 WeakPolarHBondContact O-CD2 3.28Å; L250-F254 PolarHBondContact O-N 3.4Å; F254-W262 HydrophobicContact CB-CB 4.16Å; F254-W262 HydrophobicContact CB-CD2 3.39Å; F254-W262 HydrophobicContact CB-CE3 3.88Å; F254-W262 HydrophobicContact CB-CG 3.54Å; F254-W262 HydrophobicContact CB-CZ2 4.1Å; F254-W262 HydrophobicContact CB-CZ3 4.42Å; F254-W262 HydrophobicContact CD1-CB 4.44Å; F254-W262 HydrophobicContact CD2-CE3 4.24Å; F254-W262 HydrophobicContact CD2-CZ3 4.36Å; F254-W262 HydrophobicContact CG-CD2 4.06Å; F254-W262 HydrophobicContact CG-CE3 4.09Å; F254-W262 HydrophobicContact CG-CG 4.3Å
255	G	88.8	Confident	89.6	Confident	7 Å²	7	61 Å²	61	7%	0.072	33%	0.326	C	S	.	.			trans	118.6	159.4	-177.9	0	0	0	0	0	113.4	K251 K257 W262	K251-G255 WeakPolarHBondContact CA-O 3.4Å; K251-G255 CarbonylContact O-C 3.55Å; K251-G255 VanDerWaalsContact O-C 3.32Å; K251-G255 VanDerWaalsContact O-CA 3.27Å; K251-G255 WeakPolarHBondContact O-CA 3.49Å; K251-G255 PolarHBondContact O-N 2.75Å; G255-K257 PolarHBondContact O-N 3.22Å; G255-W262 WeakPolarHBondContact O-CZ2 3.41Å; G255-W262 PolarHBondContact O-NE1 2.82Å
256	D	85.5	Confident	90	Very high	70 Å²	70	62 Å²	62	37%	0.374	33%	0.325	S	S	.	.	S	Bend	trans	-68.4	-32	-169.5	-64.1	-39.1	0	0	0	114.6	K251 H271	K251-D256 WeakPolarHBondContact CD-O 3.19Å; K251-D256 WeakPolarHBondContact CE-O 3.39Å; K251-D256 PolarHBondContact NZ-O 3.48Å; D256-H271 IonicContact OD1-CD2 3.78Å; D256-H271 IonicContact OD1-CE1 3.76Å; D256-H271 IonicContact OD1-NE2 2.83Å; D256-H271 PolarHBondContact OD1-NE2 2.94Å; D256-H271 IonicContact OD2-CE1 3.94Å; D256-H271 IonicContact OD2-NE2 3.47Å; D256-H271 PolarHBondContact OD2-NE2 3.21Å
257	K	85.9	Confident	90.3	Very high	161 Å²	161	60.7 Å²	60.7	70%	0.7	32%	0.322	S	S	*	.	S	Bend	trans	-96.1	119.4	179.1	-65.4	-176.5	-178.9	179.8	0	109.7	G255 S259 W262	G255-K257 PolarHBondContact O-N 3.22Å; K257-S259 PolarHBondContact O-N 3.42Å; K257-S259 VanDerWaalsContact O-N 3.16Å; K257-W262 PolarHBondContact O-NE1 3.46Å
258	I	85.8	Confident	90.3	Very high	117 Å²	117	60.1 Å²	60.1	60%	0.6	32%	0.321	S	S	*	.			trans	-66.8	114	169.7	-53.8	176.1	0	0	0	107.2	L247 W262	L247-I258 HydrophobicContact CD1-CD1 3.97Å; I258-W262 HydrophobicContact CB-CZ2 4.4Å; I258-W262 HydrophobicContact CG1-CH2 3.92Å; I258-W262 HydrophobicContact CG1-CZ2 3.79Å
259	S	89.9	Confident	89.8	Confident	48 Å²	48	58.6 Å²	58.6	34%	0.336	31%	0.31	S	S	.	.	S	Bend	trans	-158.9	173.7	-178.4	68	0	0	0	0	110.1	K257 E261 W262	K257-S259 PolarHBondContact O-N 3.42Å; K257-S259 VanDerWaalsContact O-N 3.16Å; S259-E261 PolarHBondContact O-N 3.01Å; S259-E261 VanDerWaalsContact OG-CB 3.31Å; S259-E261 WeakPolarHBondContact OG-CB 3.32Å; S259-E261 WeakPolarHBondContact OG-CG 3.34Å; S259-E261 PolarHBondContact OG-N 3.26Å; S259-W262 WeakPolarHBondContact O-CB 3.39Å; S259-W262 PolarHBondContact O-N 3.35Å; S259-W262 VanDerWaalsContact O-N 3.08Å
260	L	89.9	Confident	88.6	Confident	151 Å²	151	63.8 Å²	63.8	79%	0.791	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-59.5	-16.2	173.3	-65.2	175.5	0	0	0	113	W262 L263 N264	L260-W262 PolarHBondContact O-N 2.88Å; L260-L263 PolarHBondContact O-N 3.31Å; L260-L263 VanDerWaalsContact O-N 3.11Å; L260-N264 PolarHBondContact O-N 2.01Å
261	E	90.6	Very high	87.1	Confident	105 Å²	105	66.5 Å²	66.5	49%	0.491	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-63.5	-22.9	174.3	-59.9	179.9	170.7	0	0	113.3	K151 S259 L263 N264 V267	K151-E261 PolarHBondContact NZ-O 3.39Å; S259-E261 PolarHBondContact O-N 3.01Å; S259-E261 VanDerWaalsContact OG-CB 3.31Å; S259-E261 WeakPolarHBondContact OG-CB 3.32Å; S259-E261 WeakPolarHBondContact OG-CG 3.34Å; S259-E261 PolarHBondContact OG-N 3.26Å; E261-L263 PolarHBondContact O-N 3.42Å; E261-N264 PolarHBondContact O-N 2.91Å; E261-N264 VanDerWaalsContact O-N 3.16Å; E261-V267 HydrophobicContact CB-CB 4.47Å; E261-V267 HydrophobicContact CB-CG1 4.18Å; E261-V267 HydrophobicContact CB-CG2 4.39Å; E261-V267 HydrophobicContact CG-CG2 4.43Å
262	W	93.4	Very high	85.2	Confident	39 Å²	39	65.9 Å²	65.9	15%	0.148	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-60.1	-36.1	174.1	-78.8	21.6	0	0	0	111.4	K151 L250 K251 F254 G255 K257 I258 S259 L260	K151-W262 WeakPolarHBondContact CE-O 3.49Å; L250-W262 HydrophobicContact CB-CH2 3.91Å; L250-W262 HydrophobicContact CB-CZ3 4.28Å; K251-W262 HydrophobicContact CG-CZ2 4.17Å; F254-W262 HydrophobicContact CB-CB 4.16Å; F254-W262 HydrophobicContact CB-CD2 3.39Å; F254-W262 HydrophobicContact CB-CE3 3.88Å; F254-W262 HydrophobicContact CB-CG 3.54Å; F254-W262 HydrophobicContact CB-CZ2 4.1Å; F254-W262 HydrophobicContact CB-CZ3 4.42Å; F254-W262 HydrophobicContact CD1-CB 4.44Å; F254-W262 HydrophobicContact CD2-CE3 4.24Å; F254-W262 HydrophobicContact CD2-CZ3 4.36Å; F254-W262 HydrophobicContact CG-CD2 4.06Å; F254-W262 HydrophobicContact CG-CE3 4.09Å; F254-W262 HydrophobicContact CG-CG 4.3Å; G255-W262 WeakPolarHBondContact O-CZ2 3.41Å; G255-W262 PolarHBondContact O-NE1 2.82Å; K257-W262 PolarHBondContact O-NE1 3.46Å; I258-W262 HydrophobicContact CB-CZ2 4.4Å; I258-W262 HydrophobicContact CG1-CH2 3.92Å; I258-W262 HydrophobicContact CG1-CZ2 3.79Å; S259-W262 WeakPolarHBondContact O-CB 3.39Å; S259-W262 PolarHBondContact O-N 3.35Å; S259-W262 VanDerWaalsContact O-N 3.08Å; L260-W262 PolarHBondContact O-N 2.88Å
263	L	95.4	Very high	83.2	Confident	78 Å²	78	69.2 Å²	69.2	41%	0.408	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-15.2	178.5	-62.9	178	0	0	0	112.5	L155 F158 Y159 L260 E261 P265	L155-L263 HydrophobicContact CD2-CD2 4.18Å; F158-L263 HydrophobicContact CD1-CD2 4.48Å; F158-L263 HydrophobicContact CE1-CD2 4.11Å; Y159-L263 WeakPolarHBondContact CE2-O 3.36Å; Y159-L263 PolarHBondContact OH-O 2.67Å; L260-L263 PolarHBondContact O-N 3.31Å; L260-L263 VanDerWaalsContact O-N 3.11Å; E261-L263 PolarHBondContact O-N 3.42Å; L263-P265 VanDerWaalsContact O-CD 3.26Å; L263-P265 WeakPolarHBondContact O-CD 3.41Å
264	N	95.7	Very high	80.7	Confident	57 Å²	57	76.4 Å²	76.4	31%	0.305	40%	0.395	S	S	.	.			trans	-84.6	113.7	-177	-170.3	-18.5	0	0	0	111.7	K151 L260 E261 L266 V267	K151-N264 PolarHBondContact NZ-O 2.85Å; K151-N264 VanDerWaalsContact NZ-O 3.12Å; L260-N264 PolarHBondContact O-N 2.01Å; E261-N264 PolarHBondContact O-N 2.91Å; E261-N264 VanDerWaalsContact O-N 3.16Å; N264-L266 PolarHBondContact O-N 3.36Å; N264-L266 VanDerWaalsContact OD1-CB 3.28Å; N264-L266 WeakPolarHBondContact OD1-CB 3.43Å; N264-L266 PolarHBondContact OD1-N 2.88Å; N264-V267 HydrophobicContact CB-CB 4.42Å; N264-V267 HydrophobicContact CB-CG2 3.94Å; N264-V267 PolarHBondContact O-N 3.47Å
265	P	94.8	Very high	78.2	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.6	178.7	31	-35.6	0	0	0	113.5	L70 A73 S74 K77 Y152 L155 L263 V267	L70-P265 HydrophobicContact CD2-CG 4.06Å; A73-P265 HydrophobicContact CB-CG 4.02Å; S74-P265 VanDerWaalsContact OG-CB 3.22Å; S74-P265 WeakPolarHBondContact OG-CB 3.03Å; K77-P265 WeakPolarHBondContact CE-O 3.3Å; K77-P265 WeakPolarHBondContact CG-O 3.12Å; Y152-P265 VanDerWaalsContact CE1-O 3.24Å; Y152-P265 WeakPolarHBondContact CE1-O 2.95Å; L155-P265 HydrophobicContact CD1-CB 4.08Å; L263-P265 VanDerWaalsContact O-CD 3.26Å; L263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-V267 VanDerWaalsContact C-N 3.32Å
266	L	94.1	Very high	76.1	Confident	91 Å²	91	81 Å²	81	48%	0.476	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.4	177.7	-53.9	-179.6	0	0	0	112.2	F69 A73 N264	F69-L266 HydrophobicContact CE1-CD1 4.43Å; F69-L266 HydrophobicContact CZ-CD1 4.36Å; A73-L266 HydrophobicContact CB-CD2 4.18Å; N264-L266 PolarHBondContact O-N 3.36Å; N264-L266 VanDerWaalsContact OD1-CB 3.28Å; N264-L266 WeakPolarHBondContact OD1-CB 3.43Å; N264-L266 PolarHBondContact OD1-N 2.88Å
267	V	91.2	Very high	73.8	Confident	42 Å²	42	87 Å²	87	26%	0.255	45%	0.452	S	S	.	.	S	Bend	trans	-88.9	123.3	180	179.4	0	0	0	0	111	K151 E261 N264 P265	K151-V267 PolarHBondContact NZ-O 3.4Å; E261-V267 HydrophobicContact CB-CB 4.47Å; E261-V267 HydrophobicContact CB-CG1 4.18Å; E261-V267 HydrophobicContact CB-CG2 4.39Å; E261-V267 HydrophobicContact CG-CG2 4.43Å; N264-V267 HydrophobicContact CB-CB 4.42Å; N264-V267 HydrophobicContact CB-CG2 3.94Å; N264-V267 PolarHBondContact O-N 3.47Å; P265-V267 VanDerWaalsContact C-N 3.32Å
268	V	86.6	Confident	71.8	Confident	67 Å²	67	84.7 Å²	84.7	41%	0.406	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-78.3	128.8	176.4	179.1	0	0	0	0	110.4	Y152 L270 T272	Y152-V268 WeakPolarHBondContact OH-CA 3.05Å; V268-L270 PolarHBondContact O-N 3.41Å; V268-T272 WeakPolarHBondContact CG1-OG1 3.07Å
269	P	76.9	Confident	69.8	Low	9 Å²	9	81 Å²	81	6%	0.058	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-62.6	133.4	173.4	-14.2	24.5	0	0	0	111.4	K151 H271 T272	K151-P269 HydrophobicContact CB-CG 4.24Å; K151-P269 HydrophobicContact CD-CG 3.64Å; P269-H271 PolarHBondContact O-N 3.37Å; P269-H271 VanDerWaalsContact O-N 3.09Å; P269-T272 HydrophobicContact CB-CG2 4.27Å; P269-T272 HydrophobicContact CG-CG2 4.24Å; P269-T272 PolarHBondContact O-N 3.23Å; P269-T272 PolarHBondContact O-OG1 3.21Å
270	L	62	Low	67.4	Low	119 Å²	119	81.7 Å²	81.7	62%	0.623	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-52.3	-33.5	-176	-76.3	158.6	0	0	0	114.1	V268 T272	V268-L270 PolarHBondContact O-N 3.41Å; L270-T272 VanDerWaalsContact C-N 3.3Å; L270-T272 PolarHBondContact O-N 2.94Å
271	H	58.9	Low	66.3	Low	90 Å²	90	78.2 Å²	78.2	42%	0.417	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-71.3	-18.5	-179.1	-70.7	-63.4	0	0	0	114.6	D256 P269 V273 K274	D256-H271 IonicContact OD1-CD2 3.78Å; D256-H271 IonicContact OD1-CE1 3.76Å; D256-H271 IonicContact OD1-NE2 2.83Å; D256-H271 PolarHBondContact OD1-NE2 2.94Å; D256-H271 IonicContact OD2-CE1 3.94Å; D256-H271 IonicContact OD2-NE2 3.47Å; D256-H271 PolarHBondContact OD2-NE2 3.21Å; P269-H271 PolarHBondContact O-N 3.37Å; P269-H271 VanDerWaalsContact O-N 3.09Å; H271-V273 PolarHBondContact O-N 3.47Å; H271-K274 PolarHBondContact O-N 2.9Å
272	T	51.7	Low	65	Low	53 Å²	53	76.8 Å²	76.8	33%	0.325	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-66.3	-10.8	179	61.1	0	0	0	0	113.7	V268 P269 L270	V268-T272 WeakPolarHBondContact CG1-OG1 3.07Å; P269-T272 HydrophobicContact CB-CG2 4.27Å; P269-T272 HydrophobicContact CG-CG2 4.24Å; P269-T272 PolarHBondContact O-N 3.23Å; P269-T272 PolarHBondContact O-OG1 3.21Å; L270-T272 VanDerWaalsContact C-N 3.3Å; L270-T272 PolarHBondContact O-N 2.94Å
273	V	46.6	Very low	63.4	Low	118 Å²	118	78.9 Å²	78.9	72%	0.715	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-89	-25.6	-177.8	-176.7	0	0	0	0	112.9	H271 P275	H271-V273 PolarHBondContact O-N 3.47Å; V273-P275 WeakPolarHBondContact O-CD 3.29Å
274	K	38	Very low	61.5	Low	168 Å²	168	78.9 Å²	78.9	73%	0.73	42%	0.421	S	S	*	.	S	Bend	trans	-92.5	119.6	-179.7	-73.7	-174.1	178.8	-178.1	0	110.5	H271 S276	H271-K274 PolarHBondContact O-N 2.9Å; K274-S276 PolarHBondContact O-N 3.09Å
275	P	39.9	Very low	59.4	Low	81 Å²	81	80.3 Å²	80.3	53%	0.526	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-57.5	127.4	160.3	-13.4	27.1	0	0	0	107.4	V273 E277 T279	V273-P275 WeakPolarHBondContact O-CD 3.29Å; P275-E277 PolarHBondContact O-N 3.31Å; P275-T279 WeakPolarHBondContact CB-OG1 3.48Å
276	S	45	Very low	57	Low	37 Å²	37	85.7 Å²	85.7	26%	0.259	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-48.8	133.4	168	55.4	0	0	0	0	108.4	K274 H278 T279	K274-S276 PolarHBondContact O-N 3.09Å; S276-H278 PolarHBondContact O-N 3.08Å; S276-T279 PolarHBondContact O-N 3.12Å; S276-T279 PolarHBondContact O-OG1 3.1Å
277	E	38.4	Very low	54.4	Low	197 Å²	197	85.3 Å²	85.3	92%	0.921	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-6.9	179.7	-67.1	176.1	165.6	0	0	113.6	P275	P275-E277 PolarHBondContact O-N 3.31Å
278	H	42.4	Very low	51.6	Low	112 Å²	112	88.6 Å²	88.6	52%	0.519	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1	172.1	-55.7	-63.3	0	0	0	115.3	H103 S276	H103-H278 AromaticContact NE2-CE1 3.78Å; H103-H278 AromaticContact NE2-ND1 3.54Å; S276-H278 PolarHBondContact O-N 3.08Å
279	T	45.2	Very low	48.6	Very low	40 Å²	40	90.4 Å²	90.4	25%	0.245	48%	0.476	C	S	.	.			trans	-94.4	92.2	169.8	53.2	0	0	0	0	109.6	P275 S276	P275-T279 WeakPolarHBondContact CB-OG1 3.48Å; S276-T279 PolarHBondContact O-N 3.12Å; S276-T279 PolarHBondContact O-OG1 3.1Å
280	V	38.6	Very low	46.1	Very low	61 Å²	61	97.8 Å²	97.8	37%	0.37	51%	0.514	S	S	.	.			trans	-72.5	0	155	-158.7	0	0	0	0	109.3	N90 N95 M99	N90-V280 WeakPolarHBondContact CB-O 3.35Å; N90-V280 PolarHBondContact ND2-O 3.26Å; N95-V280 HydrophobicContact CB-CB 4.3Å; N95-V280 HydrophobicContact CB-CG1 4.08Å; N95-V280 PolarHBondContact ND2-OXT 2.69Å; N95-V280 WeakPolarHBondContact OD1-CG1 3.47Å; M99-V280 HydrophobicContact SD-CG2 4.36Å

Retrieved 280 of 280 residues in 207.9 ms (Link to these results)

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