A0A096MSC9_PAPAN Loading...

Cis-aconitate decarboxylase

Cis-aconitate decarboxylase that catalyzes production of itaconate and is involved in the inhibition of the inflammatory response. Acts as a negative regulator of the Toll-like receptors (TLRs)-mediated inflammatory innate response by stimulating the tumor necrosis factor alpha-induced protein TNFAIP3 expression via reactive oxygen species (ROS) in LPS-tolerized macrophages. Involved in antimicrobial response of innate immune cells; ACOD1-mediated itaconic acid production contributes to the antimicrobial activity of macrophages by generating itaconate, leading to alkylation of proteins, such as TFEB. Involved in antiviral response following infection by flavivirus in neurons: ACOD1-mediated itaconate production inhibits the activity of succinate dehydrogenase, generating a metabolic state in neurons that suppresses replication of viral genomes. Plays a role in the embryo implantation.

AlphaFold DB , UniProt , Accession A0A096MSC9, Species PAPAN (Papio anubis, Olive baboon), Gene ACOD1, Length 481 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42	Very low	82.9	Confident	240 Å²	240	76.3 Å²	76.3	100%	1.182	38%	0.379	S	S	*	.				0	118	0	-86.5	173.9	178.6	0	0	107.3	L3	M1-L3 PolarHBondContact O-N 2.71Å
2	M	45.1	Very low	84.2	Confident	185 Å²	185	72.8 Å²	72.8	91%	0.911	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-65.5	131.3	171	-67.9	-143.1	-68.8	0	0	108.3	K4	M2-K4 PolarHBondContact O-N 3.26Å
3	L	57.7	Low	85.3	Confident	176 Å²	176	67.7 Å²	67.7	92%	0.921	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-59.1	119.7	172.8	-75.6	160.6	0	0	0	107.7	M1	M1-L3 PolarHBondContact O-N 2.71Å
4	K	81.8	Confident	86.2	Confident	114 Å²	114	62.9 Å²	62.9	50%	0.496	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-59.8	141.3	173.9	-68.8	-175.6	176.8	-178.1	0	109.3	M2	M2-K4 PolarHBondContact O-N 3.26Å
5	S	95.4	Very high	87.1	Confident	21 Å²	21	63.9 Å²	63.9	15%	0.147	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-66.4	162.9	175.3	75.6	0	0	0	0	111.1	T7 E8 S9 D237	S5-T7 VanDerWaalsContact C-N 3.32Å; S5-E8 PolarHBondContact O-N 2.72Å; S5-E8 WeakPolarHBondContact OG-CB 3.26Å; S5-E8 PolarHBondContact OG-N 2.88Å; S5-S9 PolarHBondContact O-N 3.09Å; S5-D237 WeakPolarHBondContact CB-OD1 3.33Å
6	I	98.1	Very high	87.8	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.108	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-47	175.8	-61	171.5	0	0	0	108.9	E8 S9 F10 F147 L236 D237 P251 K252 V253	I6-E8 VanDerWaalsContact C-N 3.32Å; I6-E8 PolarHBondContact O-N 3.2Å; I6-S9 WeakPolarHBondContact O-CB 3.22Å; I6-S9 PolarHBondContact O-N 3.45Å; I6-S9 VanDerWaalsContact O-N 3.11Å; I6-S9 PolarHBondContact O-OG 3.36Å; I6-F10 HydrophobicContact CG2-CD2 4.24Å; I6-F10 HydrophobicContact CG2-CE2 4.09Å; I6-F10 WeakPolarHBondContact O-CD2 3.37Å; I6-F10 PolarHBondContact O-N 2.69Å; I6-F147 HydrophobicContact CG2-CE2 4.13Å; I6-F147 HydrophobicContact CG2-CZ 3.62Å; I6-L236 HydrophobicContact CG2-CB 4.26Å; I6-D237 WeakPolarHBondContact CB-OD1 3.27Å; I6-D237 PolarHBondContact N-OD1 2.9Å; I6-P251 HydrophobicContact CD1-CB 3.54Å; I6-P251 HydrophobicContact CD1-CG 3.56Å; I6-P251 HydrophobicContact CG2-CB 4.35Å; I6-K252 WeakPolarHBondContact CG2-O 3.34Å; I6-V253 HydrophobicContact CG1-CG1 3.89Å
7	T	98.6	Very high	88.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-44.3	176.3	-50.7	0	0	0	0	112.2	S5 S9 F10 A11 Q185 K233 Q234 V235 L236 D237	S5-T7 VanDerWaalsContact C-N 3.32Å; T7-S9 VanDerWaalsContact C-N 3.33Å; T7-S9 PolarHBondContact O-N 3.19Å; T7-F10 PolarHBondContact O-N 3.05Å; T7-A11 PolarHBondContact O-N 3.23Å; T7-A11 VanDerWaalsContact O-N 3.12Å; T7-Q185 HydrophobicContact CG2-CG 3.82Å; T7-K233 WeakPolarHBondContact CB-O 3.44Å; T7-Q234 VanDerWaalsContact OG1-C 3.24Å; T7-Q234 WeakPolarHBondContact OG1-CA 3.23Å; T7-V235 HydrophobicContact CG2-CG1 3.87Å; T7-V235 PolarHBondContact OG1-N 3.07Å; T7-L236 HydrophobicContact CG2-CG 4.29Å; T7-L236 WeakPolarHBondContact OG1-CB 3.38Å; T7-L236 PolarHBondContact OG1-N 3.08Å; T7-D237 WeakPolarHBondContact CB-OD2 3.37Å; T7-D237 PolarHBondContact N-OD2 3.04Å; T7-D237 PolarHBondContact OG1-OD2 3.21Å
8	E	98	Very high	89	Confident	71 Å²	71	60.6 Å²	60.6	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-34.8	177.9	-172.2	-174.1	173.2	0	0	112.2	S5 I6 F10 A11 T12	S5-E8 PolarHBondContact O-N 2.72Å; S5-E8 WeakPolarHBondContact OG-CB 3.26Å; S5-E8 PolarHBondContact OG-N 2.88Å; I6-E8 VanDerWaalsContact C-N 3.32Å; I6-E8 PolarHBondContact O-N 3.2Å; E8-F10 VanDerWaalsContact C-N 3.34Å; E8-F10 PolarHBondContact O-N 3.03Å; E8-A11 PolarHBondContact O-N 2.75Å; E8-T12 WeakPolarHBondContact O-CB 3.27Å; E8-T12 PolarHBondContact O-N 3.43Å; E8-T12 PolarHBondContact O-OG1 2.89Å
9	S	98.1	Very high	89.4	Confident	11 Å²	11	59.4 Å²	59.4	8%	0.077	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-38	176.3	79	0	0	0	0	112.4	S5 I6 T7 T13 L254	S5-S9 PolarHBondContact O-N 3.09Å; I6-S9 WeakPolarHBondContact O-CB 3.22Å; I6-S9 PolarHBondContact O-N 3.45Å; I6-S9 VanDerWaalsContact O-N 3.11Å; I6-S9 PolarHBondContact O-OG 3.36Å; T7-S9 VanDerWaalsContact C-N 3.33Å; T7-S9 PolarHBondContact O-N 3.19Å; S9-T13 WeakPolarHBondContact O-CB 3.48Å; S9-T13 PolarHBondContact O-N 2.97Å; S9-T13 PolarHBondContact O-OG1 3.48Å; S9-L254 PolarHBondContact OG-N 3.13Å; S9-L254 VanDerWaalsContact OG-N 3.09Å
10	F	98.6	Very high	89.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.7	-49.2	173.5	-86.1	-108.6	0	0	0	111.3	I6 T7 E8 T12 T13 I14 V140 R143 L144 F147 L188 L236 L254	I6-F10 HydrophobicContact CG2-CD2 4.24Å; I6-F10 HydrophobicContact CG2-CE2 4.09Å; I6-F10 WeakPolarHBondContact O-CD2 3.37Å; I6-F10 PolarHBondContact O-N 2.69Å; T7-F10 PolarHBondContact O-N 3.05Å; E8-F10 VanDerWaalsContact C-N 3.34Å; E8-F10 PolarHBondContact O-N 3.03Å; F10-T12 VanDerWaalsContact C-N 3.34Å; F10-T12 PolarHBondContact O-N 3.22Å; F10-T13 WeakPolarHBondContact O-CB 3.46Å; F10-T13 PolarHBondContact O-N 3.25Å; F10-T13 VanDerWaalsContact O-N 3.14Å; F10-I14 VanDerWaalsContact O-CG1 3.28Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 2.71Å; F10-V140 HydrophobicContact CD1-CG1 4.16Å; F10-V140 HydrophobicContact CD1-CG2 4.28Å; F10-V140 HydrophobicContact CE1-CG1 4.23Å; F10-R143 HydrophobicContact CE1-CB 3.96Å; F10-R143 HydrophobicContact CZ-CB 3.69Å; F10-L144 HydrophobicContact CD1-CD2 4.46Å; F10-L144 HydrophobicContact CE1-CD2 3.73Å; F10-L144 HydrophobicContact CE1-CG 3.79Å; F10-L144 HydrophobicContact CZ-CD2 3.85Å; F10-L144 HydrophobicContact CZ-CG 4.19Å; F10-F147 HydrophobicContact CE2-CE1 4.23Å; F10-F147 HydrophobicContact CE2-CE2 4.29Å; F10-F147 AromaticContact CE2-CZ 3.49Å; F10-F147 HydrophobicContact CE2-CZ 3.49Å; F10-F147 VanDerWaalsContact CE2-CZ 3.49Å; F10-F147 HydrophobicContact CZ-CE1 4.21Å; F10-F147 HydrophobicContact CZ-CE2 4.24Å; F10-F147 AromaticContact CZ-CZ 3.62Å; F10-F147 HydrophobicContact CZ-CZ 3.62Å; F10-L188 HydrophobicContact CB-CD1 3.81Å; F10-L236 HydrophobicContact CB-CD1 4.06Å; F10-L236 HydrophobicContact CD1-CD1 4.04Å; F10-L236 HydrophobicContact CD2-CD1 3.9Å; F10-L236 HydrophobicContact CE1-CD1 4.49Å; F10-L236 HydrophobicContact CE2-CD1 4.37Å; F10-L236 HydrophobicContact CG-CD1 3.71Å; F10-L254 HydrophobicContact CB-CD1 4.39Å; F10-L254 HydrophobicContact CD1-CD1 3.96Å; F10-L254 HydrophobicContact CD2-CD1 3.79Å; F10-L254 HydrophobicContact CD2-CD2 4.19Å; F10-L254 HydrophobicContact CD2-CG 3.63Å; F10-L254 HydrophobicContact CE1-CD1 4.13Å; F10-L254 HydrophobicContact CE1-CD2 4.3Å; F10-L254 HydrophobicContact CE1-CG 4.48Å; F10-L254 HydrophobicContact CE2-CD1 3.96Å; F10-L254 HydrophobicContact CE2-CD2 3.54Å; F10-L254 HydrophobicContact CE2-CG 3.51Å; F10-L254 HydrophobicContact CG-CD1 3.8Å; F10-L254 HydrophobicContact CG-CG 4.18Å; F10-L254 HydrophobicContact CZ-CD1 4.16Å; F10-L254 HydrophobicContact CZ-CD2 3.64Å; F10-L254 HydrophobicContact CZ-CG 4Å
11	A	98.7	Very high	90.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-43.8	179.1	0	0	0	0	0	112.7	T7 E8 T13 H15 S181 C184 Q185	T7-A11 PolarHBondContact O-N 3.23Å; T7-A11 VanDerWaalsContact O-N 3.12Å; E8-A11 PolarHBondContact O-N 2.75Å; A11-T13 VanDerWaalsContact C-N 3.32Å; A11-T13 PolarHBondContact O-N 3.31Å; A11-H15 WeakPolarHBondContact O-CB 3.19Å; A11-H15 PolarHBondContact O-N 2.78Å; A11-S181 WeakPolarHBondContact CB-O 3.4Å; A11-C184 HydrophobicContact CB-CB 4.3Å; A11-Q185 HydrophobicContact CB-CB 3.67Å; A11-Q185 HydrophobicContact CB-CG 4.41Å
12	T	98.2	Very high	92.9	Very high	35 Å²	35	49.7 Å²	49.7	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-43.9	175	-60.6	0	0	0	0	111	E8 F10 G16 S181	E8-T12 WeakPolarHBondContact O-CB 3.27Å; E8-T12 PolarHBondContact O-N 3.43Å; E8-T12 PolarHBondContact O-OG1 2.89Å; F10-T12 VanDerWaalsContact C-N 3.34Å; F10-T12 PolarHBondContact O-N 3.22Å; T12-G16 WeakPolarHBondContact O-CA 3.3Å; T12-G16 PolarHBondContact O-N 3.14Å; T12-S181 PolarHBondContact N-OG 3.3Å
13	T	98.4	Very high	95.5	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-66.8	-50.1	-178.9	-62.6	0	0	0	0	111.9	S9 F10 A11 H15 G16 L17 L254 Y260	S9-T13 WeakPolarHBondContact O-CB 3.48Å; S9-T13 PolarHBondContact O-N 2.97Å; S9-T13 PolarHBondContact O-OG1 3.48Å; F10-T13 WeakPolarHBondContact O-CB 3.46Å; F10-T13 PolarHBondContact O-N 3.25Å; F10-T13 VanDerWaalsContact O-N 3.14Å; A11-T13 VanDerWaalsContact C-N 3.32Å; A11-T13 PolarHBondContact O-N 3.31Å; T13-H15 VanDerWaalsContact C-N 3.32Å; T13-H15 PolarHBondContact O-N 3.48Å; T13-G16 PolarHBondContact O-N 3.05Å; T13-L17 HydrophobicContact CG2-CD1 3.52Å; T13-L17 HydrophobicContact CG2-CG 4.03Å; T13-L17 WeakPolarHBondContact O-CG 3.5Å; T13-L17 PolarHBondContact O-N 2.87Å; T13-L254 HydrophobicContact CG2-CD1 3.89Å; T13-Y260 HydrophobicContact CG2-CD2 4.36Å; T13-Y260 HydrophobicContact CG2-CE2 3.38Å; T13-Y260 VanDerWaalsContact CG2-OH 3.26Å; T13-Y260 WeakPolarHBondContact CG2-OH 3.09Å
14	I	98.8	Very high	97.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-55.7	-49	178.3	-67	163.3	0	0	0	110.1	F10 V136 V140 A171 K175 C184 L188	F10-I14 VanDerWaalsContact O-CG1 3.28Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 2.71Å; I14-V136 HydrophobicContact CB-CG1 4.29Å; I14-V136 HydrophobicContact CG1-CG1 4.05Å; I14-V136 HydrophobicContact CG2-CG1 4.1Å; I14-V140 HydrophobicContact CD1-CG2 3.96Å; I14-V140 HydrophobicContact CG1-CG2 3.8Å; I14-A171 HydrophobicContact CD1-CB 3.63Å; I14-A171 HydrophobicContact CG1-CB 3.96Å; I14-A171 HydrophobicContact CG2-CB 4.44Å; I14-K175 WeakPolarHBondContact O-CD 3.34Å; I14-K175 PolarHBondContact O-NZ 3.02Å; I14-C184 HydrophobicContact CB-CB 4.44Å; I14-C184 HydrophobicContact CG2-CB 4.23Å; I14-L188 HydrophobicContact CD1-CD1 3.8Å; I14-L188 HydrophobicContact CD1-CD2 4.13Å; I14-L188 HydrophobicContact CD1-CG 4.19Å
15	H	98.7	Very high	98.3	Very high	79 Å²	79	42.2 Å²	42.2	37%	0.366	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-46.5	179.1	177.1	73.6	0	0	0	112.2	A11 T13 K175 L179	A11-H15 WeakPolarHBondContact O-CB 3.19Å; A11-H15 PolarHBondContact O-N 2.78Å; T13-H15 VanDerWaalsContact C-N 3.32Å; T13-H15 PolarHBondContact O-N 3.48Å; H15-K175 PolarHBondContact O-NZ 3.21Å; H15-L179 PolarHBondContact ND1-O 2.67Å
16	G	98.4	Very high	98.4	Very high	14 Å²	14	41.2 Å²	41.2	14%	0.144	23%	0.23	C	C	.	.	H	α-helix	trans	-80.7	-31	-166.1	0	0	0	0	0	115.8	T12 T13 K18	T12-G16 WeakPolarHBondContact O-CA 3.3Å; T12-G16 PolarHBondContact O-N 3.14Å; T13-G16 PolarHBondContact O-N 3.05Å; G16-K18 WeakPolarHBondContact O-CE 3.22Å; G16-K18 WeakPolarHBondContact O-CG 3.47Å; G16-K18 PolarHBondContact O-N 2.94Å
17	L	98.7	Very high	98.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.229	C	C	.	.			trans	-56.1	139.2	179	-77.4	167	0	0	0	111.5	T13 H21 L132 V136 K175 L257 Y260 W262	T13-L17 HydrophobicContact CG2-CD1 3.52Å; T13-L17 HydrophobicContact CG2-CG 4.03Å; T13-L17 WeakPolarHBondContact O-CG 3.5Å; T13-L17 PolarHBondContact O-N 2.87Å; L17-H21 HydrophobicContact CD2-CB 3.84Å; L17-L132 HydrophobicContact CB-CD1 4.34Å; L17-V136 HydrophobicContact CB-CG2 4.2Å; L17-V136 HydrophobicContact CD1-CG2 3.87Å; L17-K175 VanDerWaalsContact O-CE 3.32Å; L17-K175 WeakPolarHBondContact O-CE 3.45Å; L17-K175 PolarHBondContact O-NZ 3.17Å; L17-L257 HydrophobicContact CD2-CD2 3.84Å; L17-L257 HydrophobicContact CG-CD2 3.85Å; L17-Y260 HydrophobicContact CD1-CD1 4.47Å; L17-Y260 HydrophobicContact CD1-CE1 3.93Å; L17-Y260 HydrophobicContact CD2-CD1 3.67Å; L17-Y260 HydrophobicContact CD2-CD2 4.29Å; L17-Y260 HydrophobicContact CD2-CE1 3.99Å; L17-Y260 HydrophobicContact CD2-CG 3.83Å; L17-W262 HydrophobicContact CD1-CH2 3.66Å; L17-W262 HydrophobicContact CD1-CZ2 4.28Å; L17-W262 HydrophobicContact CD1-CZ3 4.08Å; L17-W262 HydrophobicContact CD2-CH2 4.25Å; L17-W262 HydrophobicContact CD2-CZ2 4.02Å; L17-W262 HydrophobicContact CG-CH2 4.41Å
18	K	98.4	Very high	98.5	Very high	116 Å²	116	46.5 Å²	46.5	50%	0.504	26%	0.255	S	S	.	.			trans	-128.7	167.1	-179.1	-56.1	-61.8	176.9	-175.2	0	109.9	G16 G20 H21	G16-K18 WeakPolarHBondContact O-CE 3.22Å; G16-K18 WeakPolarHBondContact O-CG 3.47Å; G16-K18 PolarHBondContact O-N 2.94Å; K18-G20 PolarHBondContact O-N 2.96Å; K18-H21 PolarHBondContact N-ND1 3.29Å; K18-H21 WeakPolarHBondContact O-CB 3.2Å; K18-H21 PolarHBondContact O-N 2.69Å; K18-H21 PolarHBondContact O-ND1 3.42Å
19	A	97.1	Very high	98.5	Very high	38 Å²	38	45 Å²	45	31%	0.314	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-52.3	-39.8	178	0	0	0	0	0	112.2	H21 L22	A19-H21 PolarHBondContact O-N 3.13Å; A19-L22 VanDerWaalsContact O-CB 3.29Å; A19-L22 WeakPolarHBondContact O-CB 3.36Å; A19-L22 PolarHBondContact O-N 2.92Å
20	G	97.8	Very high	98.6	Very high	81 Å²	81	44.5 Å²	44.5	84%	0.835	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-66.1	-4.9	176.2	0	0	0	0	0	116.2	K18	K18-G20 PolarHBondContact O-N 2.96Å
21	H	98.6	Very high	98.6	Very high	56 Å²	56	45.9 Å²	45.9	26%	0.259	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-90.5	-14.6	169.9	-60	78.5	0	0	0	112.1	L17 K18 A19 W262	L17-H21 HydrophobicContact CD2-CB 3.84Å; K18-H21 PolarHBondContact N-ND1 3.29Å; K18-H21 WeakPolarHBondContact O-CB 3.2Å; K18-H21 PolarHBondContact O-N 2.69Å; K18-H21 PolarHBondContact O-ND1 3.42Å; A19-H21 PolarHBondContact O-N 3.13Å; H21-W262 HydrophobicContact CB-CZ2 4.39Å; H21-W262 PolarHBondContact O-NE1 2.99Å
22	L	98.6	Very high	98.6	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.099	25%	0.252	C	S	.	.			trans	-65.5	138.6	175	-66.2	171.5	0	0	0	109.2	A19 V26 I27 L128 L131 L132 N135 W262	A19-L22 VanDerWaalsContact O-CB 3.29Å; A19-L22 WeakPolarHBondContact O-CB 3.36Å; A19-L22 PolarHBondContact O-N 2.92Å; L22-V26 HydrophobicContact CD2-CG1 4.14Å; L22-I27 HydrophobicContact CB-CD1 4.01Å; L22-I27 HydrophobicContact CB-CG1 4.07Å; L22-I27 HydrophobicContact CD1-CD1 4.48Å; L22-I27 HydrophobicContact CD1-CG1 4.37Å; L22-L128 HydrophobicContact CD1-CD2 4.34Å; L22-L131 HydrophobicContact CD1-CB 4.17Å; L22-L132 HydrophobicContact CD1-CB 4.18Å; L22-L132 HydrophobicContact CD2-CD1 4.42Å; L22-L132 HydrophobicContact CG-CD1 4.35Å; L22-N135 HydrophobicContact CD2-CB 4.02Å; L22-W262 HydrophobicContact CD2-CH2 4.33Å; L22-W262 HydrophobicContact CD2-CZ2 3.92Å
23	T	98.8	Very high	98.6	Very high	48 Å²	48	45.1 Å²	45.1	29%	0.294	24%	0.241	S	C	.	.			trans	-101.3	153.5	172.5	63.8	0	0	0	0	109.1	R25 V26 I27 D265	T23-R25 PolarHBondContact O-N 2.94Å; T23-V26 PolarHBondContact O-N 3.42Å; T23-V26 VanDerWaalsContact O-N 3.08Å; T23-V26 WeakPolarHBondContact OG1-CB 3.23Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.47Å; T23-V26 PolarHBondContact OG1-N 2.96Å; T23-I27 WeakPolarHBondContact O-CG1 3.35Å; T23-I27 PolarHBondContact O-N 3.22Å; T23-D265 WeakPolarHBondContact CG2-OD2 3.46Å; T23-D265 PolarHBondContact OG1-OD1 2.99Å; T23-D265 PolarHBondContact OG1-OD2 3.17Å
24	D	98.8	Very high	98.6	Very high	142 Å²	142	44.8 Å²	44.8	76%	0.759	24%	0.24	S	C	*	.	H	α-helix	trans	-56.1	-37.2	179	-57.4	-20.5	0	0	0	112	I27 Q28	D24-I27 PolarHBondContact O-N 2.99Å; D24-Q28 WeakPolarHBondContact O-CB 3.47Å; D24-Q28 PolarHBondContact O-N 2.97Å
25	R	98.8	Very high	98.7	Very high	128 Å²	128	45 Å²	45	48%	0.483	24%	0.241	S	C	.	.	H	α-helix	trans	-69.6	-39.3	178.7	172.3	-175.8	-65.3	-172.6	1.8	112.2	T23 I27 Q28 R29 D265	T23-R25 PolarHBondContact O-N 2.94Å; R25-I27 VanDerWaalsContact C-N 3.35Å; R25-Q28 PolarHBondContact O-N 3.25Å; R25-R29 WeakPolarHBondContact O-CB 3.29Å; R25-R29 WeakPolarHBondContact O-CG 3.38Å; R25-R29 PolarHBondContact O-N 2.76Å; R25-D265 VanDerWaalsContact CB-OD1 3.24Å; R25-D265 WeakPolarHBondContact CB-OD1 3.39Å; R25-D265 VanDerWaalsContact CD-O 3.22Å; R25-D265 WeakPolarHBondContact CD-O 3.43Å; R25-D265 WeakPolarHBondContact CD-OD1 3.45Å; R25-D265 WeakPolarHBondContact CG-OD1 3.39Å; R25-D265 PolarHBondContact NH1-O 3.42Å; R25-D265 VanDerWaalsContact NH1-O 3.1Å
26	V	98.8	Very high	98.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-41.6	173.1	168.1	0	0	0	0	110.5	L22 T23 S30 N135 W262 L264 D265	L22-V26 HydrophobicContact CD2-CG1 4.14Å; T23-V26 PolarHBondContact O-N 3.42Å; T23-V26 VanDerWaalsContact O-N 3.08Å; T23-V26 WeakPolarHBondContact OG1-CB 3.23Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.47Å; T23-V26 PolarHBondContact OG1-N 2.96Å; V26-S30 VanDerWaalsContact O-CB 3.26Å; V26-S30 WeakPolarHBondContact O-CB 3.4Å; V26-S30 PolarHBondContact O-N 3.39Å; V26-S30 PolarHBondContact O-OG 3.04Å; V26-N135 HydrophobicContact CG1-CB 4Å; V26-N135 WeakPolarHBondContact CG1-OD1 3.23Å; V26-W262 HydrophobicContact CG1-CD2 4.44Å; V26-W262 HydrophobicContact CG1-CG 4.39Å; V26-W262 HydrophobicContact CG2-CB 3.44Å; V26-W262 VanDerWaalsContact CG2-CB 3.44Å; V26-W262 HydrophobicContact CG2-CD2 4.47Å; V26-W262 HydrophobicContact CG2-CG 3.63Å; V26-L264 HydrophobicContact CG1-CD2 4.39Å; V26-L264 HydrophobicContact CG2-CB 4.32Å; V26-D265 HydrophobicContact CG2-CB 4.34Å
27	I	98.9	Very high	98.7	Very high	17 Å²	17	40.7 Å²	40.7	9%	0.087	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-51.1	174.1	-68.5	170.7	0	0	0	110.1	L22 T23 D24 R25 R29 S30 K31 L131	L22-I27 HydrophobicContact CB-CD1 4.01Å; L22-I27 HydrophobicContact CB-CG1 4.07Å; L22-I27 HydrophobicContact CD1-CD1 4.48Å; L22-I27 HydrophobicContact CD1-CG1 4.37Å; T23-I27 WeakPolarHBondContact O-CG1 3.35Å; T23-I27 PolarHBondContact O-N 3.22Å; D24-I27 PolarHBondContact O-N 2.99Å; R25-I27 VanDerWaalsContact C-N 3.35Å; I27-R29 PolarHBondContact O-N 2.92Å; I27-S30 WeakPolarHBondContact CA-OG 3.42Å; I27-S30 PolarHBondContact O-N 3.47Å; I27-S30 PolarHBondContact O-OG 3.09Å; I27-S30 VanDerWaalsContact O-OG 3.06Å; I27-K31 HydrophobicContact CG2-CD 4.13Å; I27-K31 HydrophobicContact CG2-CG 4.46Å; I27-K31 WeakPolarHBondContact O-CG 3.44Å; I27-K31 PolarHBondContact O-N 2.7Å; I27-L131 HydrophobicContact CG2-CD1 4.07Å
28	Q	98.9	Very high	98.7	Very high	115 Å²	115	40.7 Å²	40.7	54%	0.537	22%	0.217	S	C	.	.	H	α-helix	trans	-56.6	-49.5	178.8	-172.4	-161.5	-6.3	0	0	112.2	D24 R25 R32	D24-Q28 WeakPolarHBondContact O-CB 3.47Å; D24-Q28 PolarHBondContact O-N 2.97Å; R25-Q28 PolarHBondContact O-N 3.25Å; Q28-R32 WeakPolarHBondContact O-CG 3.19Å; Q28-R32 PolarHBondContact O-N 3.44Å
29	R	98.9	Very high	98.7	Very high	39 Å²	39	35.1 Å²	35.1	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-42.4	-179.8	-75.9	177.9	164.9	161.5	-0.6	112.1	R25 I27 R32 M33 L264 D265 D268	R25-R29 WeakPolarHBondContact O-CB 3.29Å; R25-R29 WeakPolarHBondContact O-CG 3.38Å; R25-R29 PolarHBondContact O-N 2.76Å; I27-R29 PolarHBondContact O-N 2.92Å; R29-R32 WeakPolarHBondContact O-CB 3.44Å; R29-R32 PolarHBondContact O-N 3.38Å; R29-M33 VanDerWaalsContact O-CG 3.3Å; R29-M33 WeakPolarHBondContact O-CG 3.28Å; R29-M33 PolarHBondContact O-N 3.03Å; R29-L264 HydrophobicContact CB-CD1 4.17Å; R29-L264 HydrophobicContact CB-CD2 3.84Å; R29-L264 HydrophobicContact CB-CG 3.87Å; R29-L264 WeakPolarHBondContact CD-O 3.42Å; R29-L264 PolarHBondContact NH1-O 3.28Å; R29-D265 PolarHBondContact NH1-O 3.46Å; R29-D268 WeakPolarHBondContact CD-OD1 3.39Å; R29-D268 IonicContact CZ-OD2 2.76Å; R29-D268 IonicContact NE-OD1 3.42Å; R29-D268 PolarHBondContact NE-OD1 3.11Å; R29-D268 IonicContact NE-OD2 2.7Å; R29-D268 PolarHBondContact NE-OD2 3.45Å; R29-D268 IonicContact NH2-OD2 3.64Å; R29-D268 PolarHBondContact NH2-OD2 3.46Å
30	S	98.9	Very high	98.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-36.2	179.2	54.9	0	0	0	0	113	V26 I27 R32 M33 I34 L131 N135	V26-S30 VanDerWaalsContact O-CB 3.26Å; V26-S30 WeakPolarHBondContact O-CB 3.4Å; V26-S30 PolarHBondContact O-N 3.39Å; V26-S30 PolarHBondContact O-OG 3.04Å; I27-S30 WeakPolarHBondContact CA-OG 3.42Å; I27-S30 PolarHBondContact O-N 3.47Å; I27-S30 PolarHBondContact O-OG 3.09Å; I27-S30 VanDerWaalsContact O-OG 3.06Å; S30-R32 VanDerWaalsContact C-N 3.31Å; S30-R32 PolarHBondContact O-N 3.45Å; S30-M33 WeakPolarHBondContact O-CB 3.27Å; S30-M33 PolarHBondContact O-N 3.14Å; S30-I34 WeakPolarHBondContact O-CB 3.45Å; S30-I34 WeakPolarHBondContact O-CD1 3.31Å; S30-I34 WeakPolarHBondContact O-CG1 3.44Å; S30-I34 PolarHBondContact O-N 3.41Å; S30-L131 WeakPolarHBondContact OG-CD2 3.46Å; S30-N135 WeakPolarHBondContact CB-ND2 3.08Å; S30-N135 WeakPolarHBondContact CB-OD1 3.27Å; S30-N135 PolarHBondContact OG-ND2 3.17Å
31	K	98.9	Very high	98.8	Very high	30 Å²	30	29.6 Å²	29.6	13%	0.13	14%	0.139	C	C	.	.	H	α-helix	trans	-58.7	-42.8	171.6	-71.9	-174.5	-58.8	-175	0	112.1	I27 I34 L35 L131 V442 E443 L445 E446	I27-K31 HydrophobicContact CG2-CD 4.13Å; I27-K31 HydrophobicContact CG2-CG 4.46Å; I27-K31 WeakPolarHBondContact O-CG 3.44Å; I27-K31 PolarHBondContact O-N 2.7Å; K31-I34 PolarHBondContact O-N 2.83Å; K31-L35 PolarHBondContact O-N 3.26Å; K31-L131 HydrophobicContact CG-CD2 4.11Å; K31-V442 HydrophobicContact CB-CG1 4.46Å; K31-V442 WeakPolarHBondContact CD-O 3.33Å; K31-V442 VanDerWaalsContact CG-O 3.31Å; K31-V442 WeakPolarHBondContact CG-O 3.26Å; K31-V442 VanDerWaalsContact O-CG1 3.29Å; K31-V442 WeakPolarHBondContact O-CG1 3.4Å; K31-E443 WeakPolarHBondContact CD-O 3.3Å; K31-E443 WeakPolarHBondContact CE-O 3.22Å; K31-E443 PolarHBondContact NZ-O 3.48Å; K31-L445 HydrophobicContact CD-CB 4.19Å; K31-L445 HydrophobicContact CG-CB 4.28Å; K31-E446 VanDerWaalsContact CD-OE2 3.22Å; K31-E446 WeakPolarHBondContact CD-OE2 3.5Å; K31-E446 WeakPolarHBondContact CE-OE2 3.43Å; K31-E446 IonicContact NZ-OE1 2.85Å; K31-E446 PolarHBondContact NZ-OE1 3.46Å; K31-E446 IonicContact NZ-OE2 2.71Å; K31-E446 PolarHBondContact NZ-OE2 3.26Å
32	R	98.9	Very high	98.8	Very high	18 Å²	18	27 Å²	27	7%	0.068	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-45.2	175.1	-68.1	166.1	57.9	77.7	-1.8	111.9	Q28 R29 S30 I34 L35 D36 F271 L413 S414 L418	Q28-R32 WeakPolarHBondContact O-CG 3.19Å; Q28-R32 PolarHBondContact O-N 3.44Å; R29-R32 WeakPolarHBondContact O-CB 3.44Å; R29-R32 PolarHBondContact O-N 3.38Å; S30-R32 VanDerWaalsContact C-N 3.31Å; S30-R32 PolarHBondContact O-N 3.45Å; R32-I34 VanDerWaalsContact C-N 3.34Å; R32-I34 PolarHBondContact O-N 2.94Å; R32-L35 PolarHBondContact O-N 3.34Å; R32-D36 WeakPolarHBondContact O-CB 3.26Å; R32-D36 PolarHBondContact O-N 2.94Å; R32-F271 HydrophobicContact CB-CE2 4Å; R32-F271 HydrophobicContact CB-CZ 3.85Å; R32-L413 PolarHBondContact NH2-O 3.5Å; R32-S414 PolarHBondContact NH1-O 3.2Å; R32-L418 HydrophobicContact CB-CD2 3.6Å; R32-L418 HydrophobicContact CG-CD2 3.84Å
33	M	98.9	Very high	98.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-43.5	175.5	-69	162.3	70.4	0	0	112	R29 S30 T37 P104 S105 F134 I138 L264 V269 F271	R29-M33 VanDerWaalsContact O-CG 3.3Å; R29-M33 WeakPolarHBondContact O-CG 3.28Å; R29-M33 PolarHBondContact O-N 3.03Å; S30-M33 WeakPolarHBondContact O-CB 3.27Å; S30-M33 PolarHBondContact O-N 3.14Å; M33-T37 VanDerWaalsContact O-CB 3.23Å; M33-T37 WeakPolarHBondContact O-CB 3.34Å; M33-T37 PolarHBondContact O-N 3.31Å; M33-T37 PolarHBondContact O-OG1 3.4Å; M33-P104 HydrophobicContact CE-CG 4.17Å; M33-S105 WeakPolarHBondContact CE-OG 3.46Å; M33-F134 HydrophobicContact CB-CE1 4.26Å; M33-F134 HydrophobicContact CB-CZ 3.97Å; M33-F134 HydrophobicContact CE-CE1 3.94Å; M33-F134 HydrophobicContact CE-CZ 4.01Å; M33-F134 HydrophobicContact SD-CE1 4.33Å; M33-I138 HydrophobicContact CE-CD1 3.58Å; M33-I138 HydrophobicContact CE-CG1 3.9Å; M33-I138 HydrophobicContact CE-CG2 4.15Å; M33-L264 HydrophobicContact SD-CD1 3.83Å; M33-L264 HydrophobicContact SD-CD2 3.75Å; M33-L264 HydrophobicContact SD-CG 4.46Å; M33-V269 HydrophobicContact CE-CG1 3.86Å; M33-V269 HydrophobicContact CG-CG1 4.1Å; M33-V269 HydrophobicContact CG-CG2 3.64Å; M33-V269 HydrophobicContact SD-CG1 3.87Å; M33-V269 HydrophobicContact SD-CG2 4.3Å; M33-F271 HydrophobicContact CG-CE1 4.41Å; M33-F271 HydrophobicContact CG-CZ 4.14Å
34	I	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-49.9	178.5	-70.6	165	0	0	0	110.3	S30 K31 R32 D36 T37 L38 L109 L130 L131 F134 V442 L445	S30-I34 WeakPolarHBondContact O-CB 3.45Å; S30-I34 WeakPolarHBondContact O-CD1 3.31Å; S30-I34 WeakPolarHBondContact O-CG1 3.44Å; S30-I34 PolarHBondContact O-N 3.41Å; K31-I34 PolarHBondContact O-N 2.83Å; R32-I34 VanDerWaalsContact C-N 3.34Å; R32-I34 PolarHBondContact O-N 2.94Å; I34-D36 PolarHBondContact O-N 3.24Å; I34-T37 PolarHBondContact O-N 2.93Å; I34-L38 HydrophobicContact CG2-CD1 4.06Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.32Å; I34-L38 PolarHBondContact O-N 3.06Å; I34-L109 HydrophobicContact CB-CD2 4.46Å; I34-L109 HydrophobicContact CG1-CD1 4.2Å; I34-L109 HydrophobicContact CG2-CD1 4.1Å; I34-L109 HydrophobicContact CG2-CD2 4.08Å; I34-L130 HydrophobicContact CD1-CD2 3.85Å; I34-L131 HydrophobicContact CD1-CD2 4.09Å; I34-F134 HydrophobicContact CD1-CD1 4.48Å; I34-F134 HydrophobicContact CD1-CD2 4.38Å; I34-F134 HydrophobicContact CD1-CG 4.32Å; I34-F134 HydrophobicContact CG1-CD2 4.09Å; I34-F134 HydrophobicContact CG1-CE1 4.35Å; I34-F134 HydrophobicContact CG1-CE2 3.89Å; I34-F134 HydrophobicContact CG1-CG 4.43Å; I34-F134 HydrophobicContact CG1-CZ 4.02Å; I34-V442 HydrophobicContact CB-CG1 4.19Å; I34-V442 HydrophobicContact CG2-CG1 3.9Å; I34-V442 HydrophobicContact CG2-CG2 4.17Å; I34-L445 HydrophobicContact CD1-CD2 3.74Å
35	L	98.9	Very high	98.7	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-60.3	-47.7	-179.8	-170.5	66.1	0	0	0	111.7	K31 R32 T37 L38 G39 E419 F422 I439 V442	K31-L35 PolarHBondContact O-N 3.26Å; R32-L35 PolarHBondContact O-N 3.34Å; L35-T37 VanDerWaalsContact C-N 3.32Å; L35-T37 PolarHBondContact O-N 3.32Å; L35-L38 PolarHBondContact O-N 2.91Å; L35-G39 PolarHBondContact O-N 3.02Å; L35-E419 HydrophobicContact CD2-CG 3.87Å; L35-F422 HydrophobicContact CD1-CB 4.42Å; L35-F422 HydrophobicContact CD1-CD1 3.93Å; L35-F422 HydrophobicContact CD1-CD2 3.71Å; L35-F422 HydrophobicContact CD1-CE1 4.05Å; L35-F422 HydrophobicContact CD1-CE2 3.87Å; L35-F422 HydrophobicContact CD1-CG 3.75Å; L35-F422 HydrophobicContact CD1-CZ 4.03Å; L35-F422 HydrophobicContact CD2-CB 4.37Å; L35-F422 HydrophobicContact CG-CB 4.1Å; L35-F422 HydrophobicContact CG-CD2 3.97Å; L35-F422 HydrophobicContact CG-CG 3.94Å; L35-F422 VanDerWaalsContact O-CD2 3.28Å; L35-F422 WeakPolarHBondContact O-CD2 3.48Å; L35-I439 HydrophobicContact CD1-CG1 4.19Å; L35-V442 HydrophobicContact CB-CG1 3.91Å; L35-V442 HydrophobicContact CD1-CB 4.29Å; L35-V442 HydrophobicContact CD1-CG1 4.43Å; L35-V442 HydrophobicContact CD1-CG2 4.48Å
36	D	98.9	Very high	98.6	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-58.5	-45.2	178.3	-166.2	67.6	0	0	0	112.1	R32 I34 G39 A40 F271 L418 K421	R32-D36 WeakPolarHBondContact O-CB 3.26Å; R32-D36 PolarHBondContact O-N 2.94Å; I34-D36 PolarHBondContact O-N 3.24Å; D36-G39 PolarHBondContact O-N 2.97Å; D36-A40 PolarHBondContact O-N 2.76Å; D36-F271 HydrophobicContact CB-CD1 3.67Å; D36-F271 HydrophobicContact CB-CE1 3.52Å; D36-F271 HydrophobicContact CB-CZ 4.45Å; D36-F271 WeakPolarHBondContact OD2-CD1 3.4Å; D36-L418 HydrophobicContact CB-CD1 4.04Å; D36-L418 WeakPolarHBondContact OD1-CD1 3.47Å; D36-K421 WeakPolarHBondContact OD1-CD 3.48Å; D36-K421 WeakPolarHBondContact OD1-CE 3.16Å; D36-K421 IonicContact OD1-NZ 3.69Å; D36-K421 PolarHBondContact OD1-NZ 3.43Å; D36-K421 IonicContact OD2-NZ 3.64Å; D36-K421 PolarHBondContact OD2-NZ 3.16Å
37	T	98.9	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.1	-39.9	-178.5	-59.7	0	0	0	0	111.6	M33 I34 L35 G41 I89 S105 L109	M33-T37 VanDerWaalsContact O-CB 3.23Å; M33-T37 WeakPolarHBondContact O-CB 3.34Å; M33-T37 PolarHBondContact O-N 3.31Å; M33-T37 PolarHBondContact O-OG1 3.4Å; I34-T37 PolarHBondContact O-N 2.93Å; L35-T37 VanDerWaalsContact C-N 3.32Å; L35-T37 PolarHBondContact O-N 3.32Å; T37-G41 PolarHBondContact O-N 3.45Å; T37-I89 HydrophobicContact CG2-CD1 3.6Å; T37-I89 HydrophobicContact CG2-CG1 3.88Å; T37-I89 HydrophobicContact CG2-CG2 3.81Å; T37-S105 WeakPolarHBondContact OG1-CB 3.38Å; T37-L109 HydrophobicContact CG2-CB 4.12Å; T37-L109 HydrophobicContact CG2-CD2 3.67Å
38	L	98.9	Very high	98.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-46.1	173.3	-67.8	171.3	0	0	0	110.5	I34 L35 A40 G41 F42 W69 L109 F422 V442 L458	I34-L38 HydrophobicContact CG2-CD1 4.06Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.32Å; I34-L38 PolarHBondContact O-N 3.06Å; L35-L38 PolarHBondContact O-N 2.91Å; L38-A40 PolarHBondContact O-N 2.83Å; L38-G41 PolarHBondContact O-N 3.46Å; L38-F42 HydrophobicContact CB-CD2 4.46Å; L38-F42 HydrophobicContact CB-CE2 4.37Å; L38-F42 WeakPolarHBondContact O-CD2 3.47Å; L38-F42 PolarHBondContact O-N 3.31Å; L38-W69 HydrophobicContact CD2-CE3 4.38Å; L38-W69 HydrophobicContact CD2-CH2 3.68Å; L38-W69 HydrophobicContact CD2-CZ2 3.89Å; L38-W69 HydrophobicContact CD2-CZ3 3.94Å; L38-L109 HydrophobicContact CD2-CD2 3.85Å; L38-L109 HydrophobicContact CG-CD2 3.86Å; L38-F422 HydrophobicContact CB-CE2 3.96Å; L38-V442 HydrophobicContact CD1-CG2 4.05Å; L38-L458 HydrophobicContact CD1-CD2 4.27Å; L38-L458 HydrophobicContact CD2-CD1 4.07Å; L38-L458 HydrophobicContact CD2-CD2 3.73Å
39	G	98.8	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-49.5	177	0	0	0	0	0	112.5	L35 D36 G41 F42 L43 N425	L35-G39 PolarHBondContact O-N 3.02Å; D36-G39 PolarHBondContact O-N 2.97Å; G39-G41 VanDerWaalsContact C-N 3.3Å; G39-G41 PolarHBondContact O-N 3.47Å; G39-F42 PolarHBondContact O-N 3.14Å; G39-L43 PolarHBondContact O-N 2.95Å; G39-L43 VanDerWaalsContact O-N 3.08Å; G39-N425 WeakPolarHBondContact O-CB 3.27Å
40	A	98.8	Very high	98.5	Very high	3 Å²	3	15 Å²	15	3%	0.025	8%	0.081	C	C	.	.	H	α-helix	trans	-59.5	-41.8	175.3	0	0	0	0	0	111.8	D36 L38 G44 D95	D36-A40 PolarHBondContact O-N 2.76Å; L38-A40 PolarHBondContact O-N 2.83Å; A40-G44 PolarHBondContact O-N 2.93Å; A40-D95 HydrophobicContact CB-CB 4.43Å
41	G	98.8	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-53.4	176.4	0	0	0	0	0	113.1	T37 L38 G39 L43 G44 T45 A88	T37-G41 PolarHBondContact O-N 3.45Å; L38-G41 PolarHBondContact O-N 3.46Å; G39-G41 VanDerWaalsContact C-N 3.3Å; G39-G41 PolarHBondContact O-N 3.47Å; G41-L43 PolarHBondContact O-N 3.37Å; G41-G44 PolarHBondContact O-N 2.67Å; G41-G44 VanDerWaalsContact O-N 3.15Å; G41-T45 WeakPolarHBondContact O-CG2 3.44Å; G41-T45 PolarHBondContact O-N 2.88Å; G41-A88 VanDerWaalsContact O-CB 3.3Å; G41-A88 WeakPolarHBondContact O-CB 3.44Å
42	F	98.5	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.6	-47.5	179.3	-81.1	-65.1	0	0	0	112.4	L38 G39 G44 T45 W69 V426 L430 L438 L458	L38-F42 HydrophobicContact CB-CD2 4.46Å; L38-F42 HydrophobicContact CB-CE2 4.37Å; L38-F42 WeakPolarHBondContact O-CD2 3.47Å; L38-F42 PolarHBondContact O-N 3.31Å; G39-F42 PolarHBondContact O-N 3.14Å; F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.89Å; F42-T45 WeakPolarHBondContact O-CB 3.42Å; F42-T45 PolarHBondContact O-N 2.82Å; F42-T45 PolarHBondContact O-OG1 3.26Å; F42-W69 HydrophobicContact CD1-CB 4.36Å; F42-W69 HydrophobicContact CE1-CB 4.02Å; F42-W69 HydrophobicContact CZ-CB 4.45Å; F42-V426 HydrophobicContact CB-CB 4.39Å; F42-V426 HydrophobicContact CB-CG1 3.71Å; F42-V426 HydrophobicContact CD2-CG1 3.73Å; F42-V426 HydrophobicContact CG-CG1 4Å; F42-L430 HydrophobicContact CD1-CD1 4.25Å; F42-L430 HydrophobicContact CD1-CD2 4.46Å; F42-L430 HydrophobicContact CD1-CG 4.37Å; F42-L430 HydrophobicContact CD2-CD1 4.16Å; F42-L430 HydrophobicContact CE1-CD1 3.92Å; F42-L430 HydrophobicContact CE1-CD2 3.94Å; F42-L430 HydrophobicContact CE1-CG 4.2Å; F42-L430 HydrophobicContact CE2-CD1 3.84Å; F42-L430 HydrophobicContact CG-CD1 4.37Å; F42-L430 HydrophobicContact CZ-CD1 3.71Å; F42-L430 HydrophobicContact CZ-CD2 4.36Å; F42-L430 HydrophobicContact CZ-CG 4.47Å; F42-L438 HydrophobicContact CE2-CD1 4.11Å; F42-L438 HydrophobicContact CZ-CD1 4.38Å; F42-L458 HydrophobicContact CE2-CD2 3.95Å; F42-L458 HydrophobicContact CZ-CB 4.49Å; F42-L458 HydrophobicContact CZ-CD2 3.83Å
43	L	97.9	Very high	98.5	Very high	27 Å²	27	22.7 Å²	22.7	14%	0.141	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-42.1	175.5	-179.3	62.3	0	0	0	110.8	G39 G41 T45 S46 M92 F94 V349 N425	G39-L43 PolarHBondContact O-N 2.95Å; G39-L43 VanDerWaalsContact O-N 3.08Å; G41-L43 PolarHBondContact O-N 3.37Å; L43-T45 PolarHBondContact O-N 2.92Å; L43-T45 VanDerWaalsContact O-N 3.13Å; L43-S46 PolarHBondContact O-N 3.08Å; L43-S46 PolarHBondContact O-OG 2.75Å; L43-M92 HydrophobicContact CD2-CE 3.86Å; L43-M92 HydrophobicContact CD2-SD 3.94Å; L43-M92 HydrophobicContact CG-CE 4.14Å; L43-M92 HydrophobicContact CG-SD 3.74Å; L43-F94 HydrophobicContact CD2-CD1 3.87Å; L43-F94 HydrophobicContact CD2-CE1 3.94Å; L43-V349 HydrophobicContact CD2-CG2 3.85Å; L43-N425 HydrophobicContact CB-CB 4.11Å; L43-N425 HydrophobicContact CD2-CB 4.42Å
44	G	98.3	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-17.9	179.2	0	0	0	0	0	115.5	A40 G41 F42 S46 T47 F50 A88 S91	A40-G44 PolarHBondContact O-N 2.93Å; G41-G44 PolarHBondContact O-N 2.67Å; G41-G44 VanDerWaalsContact O-N 3.15Å; F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.89Å; G44-S46 PolarHBondContact O-N 3.19Å; G44-T47 WeakPolarHBondContact O-CB 3.48Å; G44-T47 WeakPolarHBondContact O-CG2 3.46Å; G44-T47 PolarHBondContact O-N 2.82Å; G44-T47 VanDerWaalsContact O-N 3.13Å; G44-T47 PolarHBondContact O-OG1 3.02Å; G44-F50 WeakPolarHBondContact O-CB 3.4Å; G44-A88 WeakPolarHBondContact CA-O 3.21Å; G44-S91 WeakPolarHBondContact CA-OG 3.47Å
45	T	97.9	Very high	98.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.4	175.9	70.4	0	0	0	0	113.9	G41 F42 L43 F50 W69 R71 A88 M429	G41-T45 WeakPolarHBondContact O-CG2 3.44Å; G41-T45 PolarHBondContact O-N 2.88Å; F42-T45 WeakPolarHBondContact O-CB 3.42Å; F42-T45 PolarHBondContact O-N 2.82Å; F42-T45 PolarHBondContact O-OG1 3.26Å; L43-T45 PolarHBondContact O-N 2.92Å; L43-T45 VanDerWaalsContact O-N 3.13Å; T45-F50 HydrophobicContact CG2-CE1 4.32Å; T45-F50 HydrophobicContact CG2-CE2 4.09Å; T45-F50 HydrophobicContact CG2-CZ 3.94Å; T45-F50 WeakPolarHBondContact O-CD1 3.36Å; T45-F50 WeakPolarHBondContact O-CE1 3.44Å; T45-W69 WeakPolarHBondContact CG2-O 3.32Å; T45-R71 PolarHBondContact O-NH2 3.31Å; T45-A88 HydrophobicContact CG2-CB 4.29Å; T45-M429 WeakPolarHBondContact OG1-CE 3.47Å
46	S	96.4	Very high	98.4	Very high	83 Å²	83	32 Å²	32	58%	0.58	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-3.1	174.1	74	0	0	0	0	113.4	L43 G44	L43-S46 PolarHBondContact O-N 3.08Å; L43-S46 PolarHBondContact O-OG 2.75Å; G44-S46 PolarHBondContact O-N 3.19Å
47	T	97.4	Very high	98.4	Very high	19 Å²	19	31.9 Å²	31.9	12%	0.117	16%	0.157	C	C	.	.	S	Bend	trans	-85.2	152.8	-174.7	65	0	0	0	0	113	G44 V49 F50 H51 S91 M92	G44-T47 WeakPolarHBondContact O-CB 3.48Å; G44-T47 WeakPolarHBondContact O-CG2 3.46Å; G44-T47 PolarHBondContact O-N 2.82Å; G44-T47 VanDerWaalsContact O-N 3.13Å; G44-T47 PolarHBondContact O-OG1 3.02Å; T47-V49 VanDerWaalsContact C-N 3.32Å; T47-V49 PolarHBondContact O-N 3.49Å; T47-V49 WeakPolarHBondContact OG1-CG1 3.26Å; T47-F50 PolarHBondContact O-N 3Å; T47-F50 WeakPolarHBondContact OG1-CB 3.33Å; T47-F50 PolarHBondContact OG1-N 2.83Å; T47-H51 PolarHBondContact O-N 2.64Å; T47-H51 VanDerWaalsContact O-N 3.12Å; T47-S91 WeakPolarHBondContact CG2-OG 3.48Å; T47-S91 WeakPolarHBondContact OG1-CB 3.22Å; T47-M92 HydrophobicContact CG2-CG 3.66Å; T47-M92 HydrophobicContact CG2-SD 3.93Å
48	E	97.9	Very high	98.4	Very high	112 Å²	112	36.4 Å²	36.4	52%	0.523	18%	0.177	S	C	.	.	H	α-helix	trans	-62.9	-38.4	176.4	-165	-161.2	177.5	0	0	112	F50 H51 K52 Q205	E48-F50 PolarHBondContact O-N 2.98Å; E48-H51 WeakPolarHBondContact O-CB 3.35Å; E48-H51 PolarHBondContact O-N 3.17Å; E48-K52 HydrophobicContact CG-CD 4.46Å; E48-K52 WeakPolarHBondContact O-CG 3.35Å; E48-K52 PolarHBondContact O-N 3.47Å; E48-K52 WeakPolarHBondContact OE1-CE 3.32Å; E48-K52 IonicContact OE1-NZ 3.33Å; E48-K52 PolarHBondContact OE1-NZ 3.32Å; E48-K52 IonicContact OE2-NZ 2.97Å; E48-K52 PolarHBondContact OE2-NZ 2.88Å; E48-Q205 PolarHBondContact OE2-NE2 2.88Å
49	V	98.5	Very high	98.3	Very high	7 Å²	7	42 Å²	42	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-40.1	178.2	64.5	0	0	0	0	111.9	T47 K52 A53 V87 Q205 P208 L209	T47-V49 VanDerWaalsContact C-N 3.32Å; T47-V49 PolarHBondContact O-N 3.49Å; T47-V49 WeakPolarHBondContact OG1-CG1 3.26Å; V49-K52 PolarHBondContact O-N 3.07Å; V49-A53 WeakPolarHBondContact O-CB 3.38Å; V49-A53 PolarHBondContact O-N 3.1Å; V49-V87 HydrophobicContact CG1-CG1 4.22Å; V49-V87 HydrophobicContact CG2-CG1 3.93Å; V49-Q205 HydrophobicContact CB-CG 3.8Å; V49-Q205 HydrophobicContact CG2-CG 4Å; V49-Q205 VanDerWaalsContact CG2-O 3.28Å; V49-Q205 WeakPolarHBondContact CG2-O 3.24Å; V49-P208 HydrophobicContact CG1-CB 4.35Å; V49-P208 HydrophobicContact CG1-CG 4.12Å; V49-P208 HydrophobicContact CG2-CB 4.2Å; V49-P208 HydrophobicContact CG2-CG 4.23Å; V49-L209 HydrophobicContact CG2-CD1 3.68Å
50	F	98.7	Very high	98.3	Very high	6 Å²	6	46 Å²	46	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-41.7	173.2	169.2	-95.1	0	0	0	111.5	G44 T45 T47 E48 A53 S54 V68 R71 V84 A88	G44-F50 WeakPolarHBondContact O-CB 3.4Å; T45-F50 HydrophobicContact CG2-CE1 4.32Å; T45-F50 HydrophobicContact CG2-CE2 4.09Å; T45-F50 HydrophobicContact CG2-CZ 3.94Å; T45-F50 WeakPolarHBondContact O-CD1 3.36Å; T45-F50 WeakPolarHBondContact O-CE1 3.44Å; T47-F50 PolarHBondContact O-N 3Å; T47-F50 WeakPolarHBondContact OG1-CB 3.33Å; T47-F50 PolarHBondContact OG1-N 2.83Å; E48-F50 PolarHBondContact O-N 2.98Å; F50-A53 PolarHBondContact O-N 2.84Å; F50-S54 WeakPolarHBondContact CZ-OG 3.37Å; F50-S54 VanDerWaalsContact O-CB 3.25Å; F50-S54 WeakPolarHBondContact O-CB 3.17Å; F50-S54 PolarHBondContact O-N 3.25Å; F50-S54 PolarHBondContact O-OG 3.15Å; F50-V68 HydrophobicContact CE2-CG1 3.75Å; F50-V68 HydrophobicContact CZ-CG1 3.47Å; F50-V68 VanDerWaalsContact CZ-CG1 3.47Å; F50-R71 HydrophobicContact CE1-CG 4.24Å; F50-R71 HydrophobicContact CZ-CG 4.06Å; F50-V84 HydrophobicContact CE2-CB 4.32Å; F50-A88 HydrophobicContact CD2-CB 3.67Å; F50-A88 HydrophobicContact CE2-CB 4.11Å; F50-A88 HydrophobicContact CG-CB 4.49Å
51	H	98.5	Very high	98.2	Very high	107 Å²	107	51.4 Å²	51.4	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-48	176.5	-173.1	75.3	0	0	0	111.5	T47 E48 A53 S54 Q55	T47-H51 PolarHBondContact O-N 2.64Å; T47-H51 VanDerWaalsContact O-N 3.12Å; E48-H51 WeakPolarHBondContact O-CB 3.35Å; E48-H51 PolarHBondContact O-N 3.17Å; H51-A53 PolarHBondContact O-N 3.21Å; H51-S54 PolarHBondContact O-N 3.29Å; H51-Q55 PolarHBondContact CE1-NE2 3.13Å; H51-Q55 VanDerWaalsContact CE1-NE2 3.27Å; H51-Q55 PolarHBondContact NE2-NE2 3.36Å; H51-Q55 WeakPolarHBondContact O-CB 3.33Å; H51-Q55 VanDerWaalsContact O-CG 3.3Å; H51-Q55 WeakPolarHBondContact O-CG 3.42Å; H51-Q55 PolarHBondContact O-N 2.75Å
52	K	98.8	Very high	98.1	Very high	96 Å²	96	54 Å²	54	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-47.2	176.8	-72	173.3	-179.4	168.5	0	111.9	E48 V49 S54 Q55 Y56	E48-K52 HydrophobicContact CG-CD 4.46Å; E48-K52 WeakPolarHBondContact O-CG 3.35Å; E48-K52 PolarHBondContact O-N 3.47Å; E48-K52 WeakPolarHBondContact OE1-CE 3.32Å; E48-K52 IonicContact OE1-NZ 3.33Å; E48-K52 PolarHBondContact OE1-NZ 3.32Å; E48-K52 IonicContact OE2-NZ 2.97Å; E48-K52 PolarHBondContact OE2-NZ 2.88Å; V49-K52 PolarHBondContact O-N 3.07Å; K52-S54 VanDerWaalsContact C-N 3.33Å; K52-S54 PolarHBondContact O-N 3.31Å; K52-Q55 PolarHBondContact O-N 2.81Å; K52-Y56 PolarHBondContact O-N 3.39Å
53	A	98.8	Very high	98.1	Very high	7 Å²	7	62.3 Å²	62.3	6%	0.058	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-40.3	177.6	0	0	0	0	0	112.2	V49 F50 H51 S57 F83 V84 V87	V49-A53 WeakPolarHBondContact O-CB 3.38Å; V49-A53 PolarHBondContact O-N 3.1Å; F50-A53 PolarHBondContact O-N 2.84Å; H51-A53 PolarHBondContact O-N 3.21Å; A53-S57 WeakPolarHBondContact O-CB 3.42Å; A53-S57 PolarHBondContact O-N 3.43Å; A53-S57 PolarHBondContact O-OG 3.44Å; A53-F83 HydrophobicContact CB-CE1 3.76Å; A53-F83 HydrophobicContact CB-CZ 4.24Å; A53-V84 HydrophobicContact CB-CG1 4.33Å; A53-V87 HydrophobicContact CB-CB 4.29Å; A53-V87 HydrophobicContact CB-CG1 3.98Å; A53-V87 HydrophobicContact CB-CG2 4.12Å
54	S	98.6	Very high	98.1	Very high	4 Å²	4	64.4 Å²	64.4	3%	0.028	33%	0.332	C	S	.	.	H	α-helix	trans	-67.5	-45.7	177.2	-62.4	0	0	0	0	112	F50 H51 K52 Y56 S57 K58	F50-S54 WeakPolarHBondContact CZ-OG 3.37Å; F50-S54 VanDerWaalsContact O-CB 3.25Å; F50-S54 WeakPolarHBondContact O-CB 3.17Å; F50-S54 PolarHBondContact O-N 3.25Å; F50-S54 PolarHBondContact O-OG 3.15Å; H51-S54 PolarHBondContact O-N 3.29Å; K52-S54 VanDerWaalsContact C-N 3.33Å; K52-S54 PolarHBondContact O-N 3.31Å; S54-Y56 PolarHBondContact O-N 2.8Å; S54-S57 PolarHBondContact O-N 2.77Å; S54-S57 VanDerWaalsContact O-N 3.13Å; S54-K58 WeakPolarHBondContact O-CG 3.35Å; S54-K58 PolarHBondContact O-N 2.76Å
55	Q	98.6	Very high	98.1	Very high	92 Å²	92	66.2 Å²	66.2	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-45.1	177	-72.7	-68.6	6.7	0	0	111.9	H51 K52 S57 K58	H51-Q55 PolarHBondContact CE1-NE2 3.13Å; H51-Q55 VanDerWaalsContact CE1-NE2 3.27Å; H51-Q55 PolarHBondContact NE2-NE2 3.36Å; H51-Q55 WeakPolarHBondContact O-CB 3.33Å; H51-Q55 VanDerWaalsContact O-CG 3.3Å; H51-Q55 WeakPolarHBondContact O-CG 3.42Å; H51-Q55 PolarHBondContact O-N 2.75Å; K52-Q55 PolarHBondContact O-N 2.81Å; Q55-S57 VanDerWaalsContact C-N 3.32Å; Q55-S57 PolarHBondContact O-N 3.46Å; Q55-K58 PolarHBondContact O-N 3.24Å
56	Y	98.8	Very high	98.1	Very high	103 Å²	103	66.1 Å²	66.1	40%	0.404	34%	0.343	S	S	.	.	H	α-helix	trans	-58.1	-45.8	172.7	165.2	-114.3	0	0	0	111.5	K52 S54 K58 I59 Y60 Y80 F83	K52-Y56 PolarHBondContact O-N 3.39Å; S54-Y56 PolarHBondContact O-N 2.8Å; Y56-K58 VanDerWaalsContact C-N 3.32Å; Y56-K58 PolarHBondContact O-N 2.83Å; Y56-I59 HydrophobicContact CD2-CD1 4.23Å; Y56-I59 HydrophobicContact CE2-CD1 4.12Å; Y56-I59 VanDerWaalsContact O-CG1 3.28Å; Y56-I59 WeakPolarHBondContact O-CG1 3.45Å; Y56-I59 PolarHBondContact O-N 3.5Å; Y56-Y60 HydrophobicContact CE1-CE2 4.23Å; Y56-Y60 AromaticContact CE2-CE2 3.87Å; Y56-Y60 HydrophobicContact CE2-CE2 3.87Å; Y56-Y60 AromaticContact CZ-CE2 3.68Å; Y56-Y60 PolarHBondContact OH-OH 2.89Å; Y56-Y80 AromaticContact CE1-CE1 3.88Å; Y56-Y80 HydrophobicContact CE1-CE1 3.88Å; Y56-F83 HydrophobicContact CD1-CE1 4.31Å
57	S	98.7	Very high	98.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-70.3	-26.4	-174.4	-58.4	0	0	0	0	113.7	A53 S54 Q55 I59 Y60 L76 V84	A53-S57 WeakPolarHBondContact O-CB 3.42Å; A53-S57 PolarHBondContact O-N 3.43Å; A53-S57 PolarHBondContact O-OG 3.44Å; S54-S57 PolarHBondContact O-N 2.77Å; S54-S57 VanDerWaalsContact O-N 3.13Å; Q55-S57 VanDerWaalsContact C-N 3.32Å; Q55-S57 PolarHBondContact O-N 3.46Å; S57-I59 PolarHBondContact O-N 3.05Å; S57-I59 VanDerWaalsContact O-N 3.11Å; S57-Y60 PolarHBondContact O-N 3.39Å; S57-Y60 VanDerWaalsContact O-N 3.08Å; S57-L76 WeakPolarHBondContact O-CD2 3.41Å; S57-V84 VanDerWaalsContact OG-CG1 3.3Å; S57-V84 WeakPolarHBondContact OG-CG1 3.34Å
58	K	98.3	Very high	98.2	Very high	95 Å²	95	61.5 Å²	61.5	41%	0.413	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.6	179	-79.4	175.4	-178.8	-168.9	0	114.4	S54 Q55 Y56 Y60 I74	S54-K58 WeakPolarHBondContact O-CG 3.35Å; S54-K58 PolarHBondContact O-N 2.76Å; Q55-K58 PolarHBondContact O-N 3.24Å; Y56-K58 VanDerWaalsContact C-N 3.32Å; Y56-K58 PolarHBondContact O-N 2.83Å; K58-Y60 PolarHBondContact O-N 3.15Å; K58-I74 VanDerWaalsContact CE-CD1 3.42Å; K58-I74 HydrophobicContact CG-CG2 4.37Å
59	I	98.4	Very high	98.3	Very high	119 Å²	119	56.3 Å²	56.3	61%	0.61	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.6	176.1	78.3	-172.5	0	0	0	112.6	Y56 S57	Y56-I59 HydrophobicContact CD2-CD1 4.23Å; Y56-I59 HydrophobicContact CE2-CD1 4.12Å; Y56-I59 VanDerWaalsContact O-CG1 3.28Å; Y56-I59 WeakPolarHBondContact O-CG1 3.45Å; Y56-I59 PolarHBondContact O-N 3.5Å; S57-I59 PolarHBondContact O-N 3.05Å; S57-I59 VanDerWaalsContact O-N 3.11Å
60	Y	98.3	Very high	98.1	Very high	84 Å²	84	56.4 Å²	56.4	33%	0.329	29%	0.289	S	S	.	.			trans	-102.1	131.7	-179.5	-57.5	-77.6	0	0	0	110.8	Y56 S57 K58 Y80	Y56-Y60 HydrophobicContact CE1-CE2 4.23Å; Y56-Y60 AromaticContact CE2-CE2 3.87Å; Y56-Y60 HydrophobicContact CE2-CE2 3.87Å; Y56-Y60 AromaticContact CZ-CE2 3.68Å; Y56-Y60 PolarHBondContact OH-OH 2.89Å; S57-Y60 PolarHBondContact O-N 3.39Å; S57-Y60 VanDerWaalsContact O-N 3.08Å; K58-Y60 PolarHBondContact O-N 3.15Å; Y60-Y80 HydrophobicContact CD1-CE2 4.08Å; Y60-Y80 HydrophobicContact CD2-CD1 4.08Å; Y60-Y80 HydrophobicContact CD2-CD2 4.09Å; Y60-Y80 AromaticContact CD2-CE1 3.63Å; Y60-Y80 HydrophobicContact CD2-CE1 3.63Å; Y60-Y80 AromaticContact CD2-CE2 3.64Å; Y60-Y80 HydrophobicContact CD2-CE2 3.64Å; Y60-Y80 HydrophobicContact CD2-CG 4.3Å; Y60-Y80 AromaticContact CD2-CZ 3.39Å; Y60-Y80 HydrophobicContact CE1-CE2 4.48Å; Y60-Y80 HydrophobicContact CE2-CD1 4.45Å; Y60-Y80 AromaticContact CE2-CE1 3.61Å; Y60-Y80 HydrophobicContact CE2-CE1 3.61Å; Y60-Y80 HydrophobicContact CE2-CE2 4.09Å; Y60-Y80 AromaticContact CE2-CZ 3.39Å; Y60-Y80 WeakPolarHBondContact CE2-OH 3.29Å; Y60-Y80 HydrophobicContact CG-CD2 4.12Å; Y60-Y80 HydrophobicContact CG-CE1 4.47Å; Y60-Y80 AromaticContact CG-CE2 3.63Å; Y60-Y80 HydrophobicContact CG-CE2 3.63Å; Y60-Y80 AromaticContact CG-CZ 3.84Å; Y60-Y80 AromaticContact CZ-CZ 3.85Å; Y60-Y80 VanDerWaalsContact CZ-OH 3.3Å
61	S	96.1	Very high	98	Very high	115 Å²	115	59.9 Å²	59.9	80%	0.804	30%	0.302	S	S	*	.			trans	-127.7	157.2	173.9	59	0	0	0	0	110.6
62	S	97.6	Very high	97.7	Very high	55 Å²	55	57 Å²	57	39%	0.385	29%	0.293	S	S	.	.			trans	-155.2	157.8	177	179.4	0	0	0	0	109.3	I64 T65	S62-I64 WeakPolarHBondContact CB-O 3.48Å; S62-I64 PolarHBondContact O-N 3.27Å; S62-I64 WeakPolarHBondContact OG-CG1 3.3Å; S62-I64 PolarHBondContact OG-N 2.95Å; S62-I64 PolarHBondContact OG-O 3.37Å; S62-T65 VanDerWaalsContact O-CG2 3.23Å; S62-T65 WeakPolarHBondContact O-CG2 3.42Å
63	N	97.1	Very high	97.5	Very high	175 Å²	175	57.8 Å²	57.8	94%	0.936	30%	0.301	S	S	*	.	S	Bend	trans	-67.7	-24.3	173.8	-69	-14	0	0	0	112.4
64	I	97.7	Very high	97.4	Very high	71 Å²	71	58 Å²	58	36%	0.364	30%	0.301	S	S	.	.	S	Bend	trans	-104.9	121.4	173.6	48.3	171	0	0	0	108.9	S62 P78 A118 L119	S62-I64 WeakPolarHBondContact CB-O 3.48Å; S62-I64 PolarHBondContact O-N 3.27Å; S62-I64 WeakPolarHBondContact OG-CG1 3.3Å; S62-I64 PolarHBondContact OG-N 2.95Å; S62-I64 PolarHBondContact OG-O 3.37Å; I64-P78 WeakPolarHBondContact O-CD 3.45Å; I64-A118 HydrophobicContact CB-CB 4.42Å; I64-L119 HydrophobicContact CD1-CD2 4.04Å; I64-L119 HydrophobicContact CG2-CD2 4.42Å
65	T	98.5	Very high	97.4	Very high	38 Å²	38	62.6 Å²	62.6	23%	0.233	32%	0.318	C	S	.	.			trans	-135.9	153.3	-175.1	60.5	0	0	0	0	111.9	S62 R75 L76	S62-T65 VanDerWaalsContact O-CG2 3.23Å; S62-T65 WeakPolarHBondContact O-CG2 3.42Å; T65-R75 PolarHBondContact O-NH2 3.03Å; T65-R75 PolarHBondContact OG1-NE 3.4Å; T65-R75 PolarHBondContact OG1-NH2 3.47Å; T65-L76 CarbonylContact C-O 3.19Å; T65-L76 WeakPolarHBondContact CA-O 3.29Å; T65-L76 WeakPolarHBondContact CB-O 3.45Å
66	S	98.6	Very high	97.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	163.7	173.8	-39.5	0	0	0	0	110.2	R75 L76 A114 A118	S66-R75 WeakPolarHBondContact O-CA 3.44Å; S66-L76 PolarHBondContact N-O 3.34Å; S66-L76 PolarHBondContact O-N 3.38Å; S66-A114 WeakPolarHBondContact OG-CA 3.42Å; S66-A114 PolarHBondContact OG-O 2.76Å; S66-A118 VanDerWaalsContact OG-CB 3.31Å; S66-A118 WeakPolarHBondContact OG-CB 3.46Å
67	T	98.3	Very high	97.4	Very high	5 Å²	5	54 Å²	54	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	140.2	-175.3	-50.7	0	0	0	0	112.2	R75 N85 E117 K459	T67-R75 PolarHBondContact OG1-NH1 3Å; T67-N85 PolarHBondContact O-ND2 3.36Å; T67-N85 VanDerWaalsContact O-ND2 3.17Å; T67-E117 VanDerWaalsContact CB-OE2 3.32Å; T67-E117 WeakPolarHBondContact CB-OE2 3.39Å; T67-E117 PolarHBondContact N-OE2 3.42Å; T67-E117 PolarHBondContact OG1-OE1 3.06Å; T67-E117 PolarHBondContact OG1-OE2 2.81Å; T67-K459 HydrophobicContact CG2-CB 4.01Å; T67-K459 HydrophobicContact CG2-CG 3.75Å; T67-K459 WeakPolarHBondContact OG1-CE 3.42Å
68	V	98.5	Very high	97.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.9	158.5	-179.8	0	0	0	0	108.8	F50 G70 R71 I74 L76 V84	F50-V68 HydrophobicContact CE2-CG1 3.75Å; F50-V68 HydrophobicContact CZ-CG1 3.47Å; F50-V68 VanDerWaalsContact CZ-CG1 3.47Å; V68-G70 PolarHBondContact O-N 3.04Å; V68-R71 HydrophobicContact CB-CB 4.21Å; V68-R71 HydrophobicContact CG1-CB 4.08Å; V68-R71 HydrophobicContact CG1-CG 4.16Å; V68-R71 PolarHBondContact O-N 3.49Å; V68-R71 VanDerWaalsContact O-N 3.12Å; V68-I74 HydrophobicContact CB-CB 4.02Å; V68-I74 HydrophobicContact CB-CG2 4.15Å; V68-I74 HydrophobicContact CG2-CB 3.93Å; V68-I74 HydrophobicContact CG2-CG2 3.51Å; V68-I74 PolarHBondContact N-O 2.88Å; V68-I74 VanDerWaalsContact N-O 3.17Å; V68-L76 HydrophobicContact CG2-CD1 3.55Å; V68-L76 HydrophobicContact CG2-CG 3.96Å; V68-V84 HydrophobicContact CB-CG2 4.26Å; V68-V84 HydrophobicContact CG1-CG2 3.82Å; V68-V84 HydrophobicContact CG2-CG2 3.59Å
69	W	98.3	Very high	97.4	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.015	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	133.5	-170.4	-62.4	-13.2	0	0	0	112.1	L38 F42 T45 R71 N85 I89 L109 P110 T113 L458	L38-W69 HydrophobicContact CD2-CE3 4.38Å; L38-W69 HydrophobicContact CD2-CH2 3.68Å; L38-W69 HydrophobicContact CD2-CZ2 3.89Å; L38-W69 HydrophobicContact CD2-CZ3 3.94Å; F42-W69 HydrophobicContact CD1-CB 4.36Å; F42-W69 HydrophobicContact CE1-CB 4.02Å; F42-W69 HydrophobicContact CZ-CB 4.45Å; T45-W69 WeakPolarHBondContact CG2-O 3.32Å; W69-R71 PolarHBondContact O-N 3.41Å; W69-R71 VanDerWaalsContact O-N 3.1Å; W69-N85 VanDerWaalsContact CD1-ND2 3.34Å; W69-N85 HydrophobicContact CD2-CB 4Å; W69-N85 HydrophobicContact CE3-CB 4.27Å; W69-N85 HydrophobicContact CG-CB 4.43Å; W69-N85 HydrophobicContact CZ2-CB 4.31Å; W69-N85 PolarHBondContact N-OD1 3.37Å; W69-N85 PolarHBondContact NE1-ND2 3.25Å; W69-I89 HydrophobicContact CH2-CD1 3.69Å; W69-I89 HydrophobicContact CH2-CG1 4.26Å; W69-I89 HydrophobicContact CZ3-CD1 3.67Å; W69-I89 HydrophobicContact CZ3-CG1 3.72Å; W69-L109 HydrophobicContact CH2-CD2 4.14Å; W69-L109 HydrophobicContact CH2-CG 4.17Å; W69-L109 HydrophobicContact CZ2-CG 4.45Å; W69-P110 HydrophobicContact CH2-CB 4.43Å; W69-P110 HydrophobicContact CZ2-CB 4.27Å; W69-T113 HydrophobicContact CZ2-CG2 4.26Å; W69-T113 WeakPolarHBondContact CZ2-OG1 3.49Å; W69-L458 WeakPolarHBondContact CA-O 3.02Å
70	G	95.3	Very high	97.5	Very high	8 Å²	8	46 Å²	46	8%	0.082	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	10.9	179.8	0	0	0	0	0	115.3	V68 L458 K459	V68-G70 PolarHBondContact O-N 3.04Å; G70-L458 PolarHBondContact N-O 2.66Å; G70-K459 CarbonylContact C-O 3.46Å; G70-K459 WeakPolarHBondContact CA-O 3.48Å
71	R	95.5	Very high	97.5	Very high	79 Å²	79	42 Å²	42	30%	0.298	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	76.7	178.9	-59.5	-62.4	-178.6	-151.8	-1.1	109	T45 F50 V68 W69 D73 I74 K459	T45-R71 PolarHBondContact O-NH2 3.31Å; F50-R71 HydrophobicContact CE1-CG 4.24Å; F50-R71 HydrophobicContact CZ-CG 4.06Å; V68-R71 HydrophobicContact CB-CB 4.21Å; V68-R71 HydrophobicContact CG1-CB 4.08Å; V68-R71 HydrophobicContact CG1-CG 4.16Å; V68-R71 PolarHBondContact O-N 3.49Å; V68-R71 VanDerWaalsContact O-N 3.12Å; W69-R71 PolarHBondContact O-N 3.41Å; W69-R71 VanDerWaalsContact O-N 3.1Å; R71-D73 PolarHBondContact O-N 2.99Å; R71-D73 VanDerWaalsContact O-N 3.09Å; R71-I74 HydrophobicContact CB-CB 4.21Å; R71-I74 HydrophobicContact CB-CD1 3.89Å; R71-I74 HydrophobicContact CB-CG1 4.03Å; R71-I74 HydrophobicContact CG-CD1 4.19Å; R71-I74 PolarHBondContact O-N 3.39Å; R71-K459 PolarHBondContact N-O 3.45Å
72	P	93.3	Very high	97.6	Very high	47 Å²	47	36.5 Å²	36.5	31%	0.305	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-19.8	-173.6	28.7	-37.6	0	0	0	113.2	I74 K459	P72-I74 VanDerWaalsContact C-N 3.32Å; P72-K459 WeakPolarHBondContact CD-O 3.38Å
73	D	94.3	Very high	97.7	Very high	112 Å²	112	34.3 Å²	34.3	60%	0.599	18%	0.175	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	-13.3	175.8	63.9	-52.8	0	0	0	113.8	R71	R71-D73 PolarHBondContact O-N 2.99Å; R71-D73 VanDerWaalsContact O-N 3.09Å
74	I	96.9	Very high	97.8	Very high	12 Å²	12	26 Å²	26	6%	0.062	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.5	-176	-47.9	176.9	0	0	0	110	K58 V68 R71 P72 L76	K58-I74 VanDerWaalsContact CE-CD1 3.42Å; K58-I74 HydrophobicContact CG-CG2 4.37Å; V68-I74 HydrophobicContact CB-CB 4.02Å; V68-I74 HydrophobicContact CB-CG2 4.15Å; V68-I74 HydrophobicContact CG2-CB 3.93Å; V68-I74 HydrophobicContact CG2-CG2 3.51Å; V68-I74 PolarHBondContact N-O 2.88Å; V68-I74 VanDerWaalsContact N-O 3.17Å; R71-I74 HydrophobicContact CB-CB 4.21Å; R71-I74 HydrophobicContact CB-CD1 3.89Å; R71-I74 HydrophobicContact CB-CG1 4.03Å; R71-I74 HydrophobicContact CG-CD1 4.19Å; R71-I74 PolarHBondContact O-N 3.39Å; P72-I74 VanDerWaalsContact C-N 3.32Å; I74-L76 HydrophobicContact CG2-CD1 4.32Å; I74-L76 HydrophobicContact CG2-CD2 4.37Å; I74-L76 HydrophobicContact CG2-CG 4.07Å
75	R	98.2	Very high	97.8	Very high	100 Å²	100	22.7 Å²	22.7	38%	0.377	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134	169.2	-60.7	-166.1	66.5	79.2	-1.2	109.9	T65 S66 T67 E117	T65-R75 PolarHBondContact O-NH2 3.03Å; T65-R75 PolarHBondContact OG1-NE 3.4Å; T65-R75 PolarHBondContact OG1-NH2 3.47Å; S66-R75 WeakPolarHBondContact O-CA 3.44Å; T67-R75 PolarHBondContact OG1-NH1 3Å; R75-E117 IonicContact CZ-OE1 2.81Å; R75-E117 VanDerWaalsContact CZ-OE1 3.22Å; R75-E117 IonicContact NH1-OE1 3.22Å; R75-E117 PolarHBondContact NH1-OE1 3.4Å; R75-E117 IonicContact NH2-OE1 3.37Å; R75-E117 PolarHBondContact NH2-OE1 2.87Å
76	L	98.8	Very high	97.9	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.6	-175.8	-65.9	174.5	0	0	0	110.4	S57 T65 S66 V68 I74 A81 V84	S57-L76 WeakPolarHBondContact O-CD2 3.41Å; T65-L76 CarbonylContact C-O 3.19Å; T65-L76 WeakPolarHBondContact CA-O 3.29Å; T65-L76 WeakPolarHBondContact CB-O 3.45Å; S66-L76 PolarHBondContact N-O 3.34Å; S66-L76 PolarHBondContact O-N 3.38Å; V68-L76 HydrophobicContact CG2-CD1 3.55Å; V68-L76 HydrophobicContact CG2-CG 3.96Å; I74-L76 HydrophobicContact CG2-CD1 4.32Å; I74-L76 HydrophobicContact CG2-CD2 4.37Å; I74-L76 HydrophobicContact CG2-CG 4.07Å; L76-A81 HydrophobicContact CB-CB 4.2Å; L76-V84 HydrophobicContact CD1-CG1 4.05Å; L76-V84 HydrophobicContact CD1-CG2 3.87Å
77	P	98.9	Very high	97.9	Very high	13 Å²	13	20.9 Å²	20.9	8%	0.084	10%	0.102	C	C	.	.			trans	-50.2	145.8	164.1	-22.7	32.3	0	0	0	110.5	T79 Y80 A81	P77-T79 PolarHBondContact O-N 3.07Å; P77-Y80 HydrophobicContact CB-CD2 4.4Å; P77-Y80 HydrophobicContact CG-CD2 4.39Å; P77-Y80 PolarHBondContact O-N 3.46Å; P77-A81 PolarHBondContact O-N 2.7Å
78	P	98.8	Very high	97.9	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-56.6	-31.7	-172.1	19.5	-32.6	0	0	0	113.7	I64 A82 A114 L115 A118 F223	I64-P78 WeakPolarHBondContact O-CD 3.45Å; P78-A82 VanDerWaalsContact O-CB 3.27Å; P78-A82 WeakPolarHBondContact O-CB 3.46Å; P78-A82 PolarHBondContact O-N 3.28Å; P78-A114 HydrophobicContact CB-CB 4.14Å; P78-A114 WeakPolarHBondContact O-CB 3.35Å; P78-L115 HydrophobicContact CB-CD2 4.34Å; P78-A118 HydrophobicContact CB-CB 3.84Å; P78-A118 HydrophobicContact CG-CB 3.86Å; P78-F223 HydrophobicContact CG-CE2 4.43Å; P78-F223 HydrophobicContact CG-CZ 4.44Å
79	T	98.9	Very high	97.9	Very high	19 Å²	19	20.7 Å²	20.7	12%	0.117	10%	0.101	C	C	.	.	H	α-helix	trans	-60.9	-44.5	173.4	49	0	0	0	0	112.4	P77 F83 I219 E220 F223	P77-T79 PolarHBondContact O-N 3.07Å; T79-F83 WeakPolarHBondContact O-CB 3.38Å; T79-F83 PolarHBondContact O-N 3.41Å; T79-I219 HydrophobicContact CG2-CB 4.11Å; T79-I219 HydrophobicContact CG2-CG2 3.59Å; T79-E220 HydrophobicContact CG2-CG 3.79Å; T79-F223 HydrophobicContact CG2-CE2 4.34Å
80	Y	98.9	Very high	97.9	Very high	23 Å²	23	20.6 Å²	20.6	9%	0.09	10%	0.1	C	C	.	.	H	α-helix	trans	-82.7	-30.4	-179.3	-76	-78.1	0	0	0	113	Y56 Y60 P77 F83 V84 K216	Y56-Y80 AromaticContact CE1-CE1 3.88Å; Y56-Y80 HydrophobicContact CE1-CE1 3.88Å; Y60-Y80 HydrophobicContact CD1-CE2 4.08Å; Y60-Y80 HydrophobicContact CD2-CD1 4.08Å; Y60-Y80 HydrophobicContact CD2-CD2 4.09Å; Y60-Y80 AromaticContact CD2-CE1 3.63Å; Y60-Y80 HydrophobicContact CD2-CE1 3.63Å; Y60-Y80 AromaticContact CD2-CE2 3.64Å; Y60-Y80 HydrophobicContact CD2-CE2 3.64Å; Y60-Y80 HydrophobicContact CD2-CG 4.3Å; Y60-Y80 AromaticContact CD2-CZ 3.39Å; Y60-Y80 HydrophobicContact CE1-CE2 4.48Å; Y60-Y80 HydrophobicContact CE2-CD1 4.45Å; Y60-Y80 AromaticContact CE2-CE1 3.61Å; Y60-Y80 HydrophobicContact CE2-CE1 3.61Å; Y60-Y80 HydrophobicContact CE2-CE2 4.09Å; Y60-Y80 AromaticContact CE2-CZ 3.39Å; Y60-Y80 WeakPolarHBondContact CE2-OH 3.29Å; Y60-Y80 HydrophobicContact CG-CD2 4.12Å; Y60-Y80 HydrophobicContact CG-CE1 4.47Å; Y60-Y80 AromaticContact CG-CE2 3.63Å; Y60-Y80 HydrophobicContact CG-CE2 3.63Å; Y60-Y80 AromaticContact CG-CZ 3.84Å; Y60-Y80 AromaticContact CZ-CZ 3.85Å; Y60-Y80 VanDerWaalsContact CZ-OH 3.3Å; P77-Y80 HydrophobicContact CB-CD2 4.4Å; P77-Y80 HydrophobicContact CG-CD2 4.39Å; P77-Y80 PolarHBondContact O-N 3.46Å; Y80-F83 HydrophobicContact CD1-CD1 4.42Å; Y80-F83 WeakPolarHBondContact O-CB 3.45Å; Y80-F83 PolarHBondContact O-N 3.41Å; Y80-V84 WeakPolarHBondContact O-CG1 3.45Å; Y80-V84 WeakPolarHBondContact O-CG2 3.48Å; Y80-V84 PolarHBondContact O-N 2.84Å; Y80-K216 PolarHBondContact OH-NZ 2.87Å
81	A	98.9	Very high	98.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.8	-46.9	169	0	0	0	0	0	110.6	L76 P77 F83 V84 N85 A114	L76-A81 HydrophobicContact CB-CB 4.2Å; P77-A81 PolarHBondContact O-N 2.7Å; A81-F83 VanDerWaalsContact C-N 3.33Å; A81-F83 PolarHBondContact O-N 2.99Å; A81-V84 WeakPolarHBondContact O-CG2 3.39Å; A81-V84 PolarHBondContact O-N 3.23Å; A81-N85 WeakPolarHBondContact O-CB 3.44Å; A81-N85 VanDerWaalsContact O-CG 3.23Å; A81-N85 PolarHBondContact O-N 3.3Å; A81-N85 PolarHBondContact O-ND2 2.9Å; A81-N85 VanDerWaalsContact O-ND2 3.15Å; A81-A114 HydrophobicContact CB-CB 4.23Å
82	A	98.9	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-39.5	175.3	0	0	0	0	0	112.2	P78 G86 P110 A114 A215 I219	P78-A82 VanDerWaalsContact O-CB 3.27Å; P78-A82 WeakPolarHBondContact O-CB 3.46Å; P78-A82 PolarHBondContact O-N 3.28Å; A82-G86 PolarHBondContact O-N 3.31Å; A82-P110 HydrophobicContact CB-CB 4.48Å; A82-A114 HydrophobicContact CB-CB 4.18Å; A82-A215 HydrophobicContact CB-CB 4.24Å; A82-I219 HydrophobicContact CB-CD1 3.54Å
83	F	98.9	Very high	98.5	Very high	9 Å²	9	15 Å²	15	4%	0.039	7%	0.072	C	C	.	.	H	α-helix	trans	-56.7	-56.8	174.3	172.7	-109.4	0	0	0	112.3	A53 Y56 T79 Y80 A81 G86 V87 L209 G212 N213 K216	A53-F83 HydrophobicContact CB-CE1 3.76Å; A53-F83 HydrophobicContact CB-CZ 4.24Å; Y56-F83 HydrophobicContact CD1-CE1 4.31Å; T79-F83 WeakPolarHBondContact O-CB 3.38Å; T79-F83 PolarHBondContact O-N 3.41Å; Y80-F83 HydrophobicContact CD1-CD1 4.42Å; Y80-F83 WeakPolarHBondContact O-CB 3.45Å; Y80-F83 PolarHBondContact O-N 3.41Å; A81-F83 VanDerWaalsContact C-N 3.33Å; A81-F83 PolarHBondContact O-N 2.99Å; F83-G86 PolarHBondContact O-N 2.86Å; F83-V87 HydrophobicContact CD2-CG2 4.44Å; F83-V87 HydrophobicContact CE1-CG2 4.44Å; F83-V87 HydrophobicContact CE2-CG2 4.05Å; F83-V87 HydrophobicContact CZ-CG2 4.05Å; F83-V87 WeakPolarHBondContact O-CG2 3.47Å; F83-V87 PolarHBondContact O-N 2.82Å; F83-L209 HydrophobicContact CE2-CG 4.15Å; F83-L209 HydrophobicContact CZ-CD2 4.34Å; F83-L209 HydrophobicContact CZ-CG 4Å; F83-G212 VanDerWaalsContact CD2-C 3.47Å; F83-G212 WeakPolarHBondContact O-CA 3.13Å; F83-N213 VanDerWaalsContact CE2-OD1 3.24Å; F83-N213 WeakPolarHBondContact CE2-OD1 3.43Å; F83-K216 HydrophobicContact CB-CB 4.08Å; F83-K216 HydrophobicContact CB-CD 4.38Å; F83-K216 HydrophobicContact CD2-CD 4.41Å
84	V	98.9	Very high	98.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-70	-35.7	-174.6	-59.3	0	0	0	0	112.4	F50 A53 S57 V68 L76 Y80 A81 V87 A88	F50-V84 HydrophobicContact CE2-CB 4.32Å; A53-V84 HydrophobicContact CB-CG1 4.33Å; S57-V84 VanDerWaalsContact OG-CG1 3.3Å; S57-V84 WeakPolarHBondContact OG-CG1 3.34Å; V68-V84 HydrophobicContact CB-CG2 4.26Å; V68-V84 HydrophobicContact CG1-CG2 3.82Å; V68-V84 HydrophobicContact CG2-CG2 3.59Å; L76-V84 HydrophobicContact CD1-CG1 4.05Å; L76-V84 HydrophobicContact CD1-CG2 3.87Å; Y80-V84 WeakPolarHBondContact O-CG1 3.45Å; Y80-V84 WeakPolarHBondContact O-CG2 3.48Å; Y80-V84 PolarHBondContact O-N 2.84Å; A81-V84 WeakPolarHBondContact O-CG2 3.39Å; A81-V84 PolarHBondContact O-N 3.23Å; V84-V87 WeakPolarHBondContact O-CB 3.2Å; V84-V87 PolarHBondContact O-N 3.4Å; V84-A88 PolarHBondContact O-N 2.83Å
85	N	98.9	Very high	98.8	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-68.9	-38.2	175.3	-66.6	-25.4	0	0	0	110.6	T67 W69 A81 A88 I89 P110	T67-N85 PolarHBondContact O-ND2 3.36Å; T67-N85 VanDerWaalsContact O-ND2 3.17Å; W69-N85 VanDerWaalsContact CD1-ND2 3.34Å; W69-N85 HydrophobicContact CD2-CB 4Å; W69-N85 HydrophobicContact CE3-CB 4.27Å; W69-N85 HydrophobicContact CG-CB 4.43Å; W69-N85 HydrophobicContact CZ2-CB 4.31Å; W69-N85 PolarHBondContact N-OD1 3.37Å; W69-N85 PolarHBondContact NE1-ND2 3.25Å; A81-N85 WeakPolarHBondContact O-CB 3.44Å; A81-N85 VanDerWaalsContact O-CG 3.23Å; A81-N85 PolarHBondContact O-N 3.3Å; A81-N85 PolarHBondContact O-ND2 2.9Å; A81-N85 VanDerWaalsContact O-ND2 3.15Å; N85-A88 WeakPolarHBondContact O-CB 3.2Å; N85-A88 PolarHBondContact O-N 3.43Å; N85-I89 WeakPolarHBondContact O-CD1 3.49Å; N85-I89 WeakPolarHBondContact O-CG1 3.3Å; N85-I89 PolarHBondContact O-N 3.36Å; N85-P110 HydrophobicContact CB-CB 3.73Å
86	G	98.9	Very high	98.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.4	-43.6	170	0	0	0	0	0	113.1	A82 F83 A88 I89 H90 I211	A82-G86 PolarHBondContact O-N 3.31Å; F83-G86 PolarHBondContact O-N 2.86Å; G86-A88 VanDerWaalsContact C-N 3.32Å; G86-A88 PolarHBondContact O-N 3.04Å; G86-I89 PolarHBondContact O-N 2.95Å; G86-H90 PolarHBondContact O-N 3.4Å; G86-I211 WeakPolarHBondContact O-CG2 3.39Å
87	V	98.9	Very high	98.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59.3	-44	172.3	168.9	0	0	0	0	110.8	V49 A53 F83 V84 H90 S91 P208 L209	V49-V87 HydrophobicContact CG1-CG1 4.22Å; V49-V87 HydrophobicContact CG2-CG1 3.93Å; A53-V87 HydrophobicContact CB-CB 4.29Å; A53-V87 HydrophobicContact CB-CG1 3.98Å; A53-V87 HydrophobicContact CB-CG2 4.12Å; F83-V87 HydrophobicContact CD2-CG2 4.44Å; F83-V87 HydrophobicContact CE1-CG2 4.44Å; F83-V87 HydrophobicContact CE2-CG2 4.05Å; F83-V87 HydrophobicContact CZ-CG2 4.05Å; F83-V87 WeakPolarHBondContact O-CG2 3.47Å; F83-V87 PolarHBondContact O-N 2.82Å; V84-V87 WeakPolarHBondContact O-CB 3.2Å; V84-V87 PolarHBondContact O-N 3.4Å; V87-H90 PolarHBondContact O-N 3.26Å; V87-S91 WeakPolarHBondContact O-CA 3.34Å; V87-S91 VanDerWaalsContact O-CB 3.24Å; V87-S91 WeakPolarHBondContact O-CB 3.09Å; V87-S91 PolarHBondContact O-N 3.02Å; V87-P208 HydrophobicContact CG1-CB 4.1Å; V87-L209 HydrophobicContact CG1-CD1 4.41Å; V87-L209 HydrophobicContact CG2-CD1 4.01Å; V87-L209 HydrophobicContact CG2-CG 4.16Å
88	A	98.9	Very high	98.8	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-59.6	-50.6	178.4	0	0	0	0	0	111	G41 G44 T45 F50 V84 N85 G86 H90 S91	G41-A88 VanDerWaalsContact O-CB 3.3Å; G41-A88 WeakPolarHBondContact O-CB 3.44Å; G44-A88 WeakPolarHBondContact CA-O 3.21Å; T45-A88 HydrophobicContact CG2-CB 4.29Å; F50-A88 HydrophobicContact CD2-CB 3.67Å; F50-A88 HydrophobicContact CE2-CB 4.11Å; F50-A88 HydrophobicContact CG-CB 4.49Å; V84-A88 PolarHBondContact O-N 2.83Å; N85-A88 WeakPolarHBondContact O-CB 3.2Å; N85-A88 PolarHBondContact O-N 3.43Å; G86-A88 VanDerWaalsContact C-N 3.32Å; G86-A88 PolarHBondContact O-N 3.04Å; A88-H90 VanDerWaalsContact C-N 3.27Å; A88-H90 PolarHBondContact O-N 2.79Å; A88-S91 WeakPolarHBondContact O-CB 3.49Å; A88-S91 PolarHBondContact O-N 3.46Å; A88-S91 VanDerWaalsContact O-N 3.15Å; A88-S91 PolarHBondContact O-OG 3.15Å
89	I	98.9	Very high	98.8	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.005	2%	0.022	C	C	.	.	H	α-helix	trans	-52.9	-45.7	180	-68.8	159.3	0	0	0	111.6	T37 W69 N85 G86 D95 P110	T37-I89 HydrophobicContact CG2-CD1 3.6Å; T37-I89 HydrophobicContact CG2-CG1 3.88Å; T37-I89 HydrophobicContact CG2-CG2 3.81Å; W69-I89 HydrophobicContact CH2-CD1 3.69Å; W69-I89 HydrophobicContact CH2-CG1 4.26Å; W69-I89 HydrophobicContact CZ3-CD1 3.67Å; W69-I89 HydrophobicContact CZ3-CG1 3.72Å; N85-I89 WeakPolarHBondContact O-CD1 3.49Å; N85-I89 WeakPolarHBondContact O-CG1 3.3Å; N85-I89 PolarHBondContact O-N 3.36Å; G86-I89 PolarHBondContact O-N 2.95Å; I89-D95 HydrophobicContact CG2-CB 3.62Å; I89-P110 HydrophobicContact CD1-CB 4.27Å; I89-P110 HydrophobicContact CD1-CG 3.86Å
90	H	98.8	Very high	98.8	Very high	2 Å²	2	3.7 Å²	3.7	1%	0.009	2%	0.017	C	C	.	.	H	α-helix	trans	-96.9	2.7	-174.5	-158.4	50.8	0	0	0	114	G86 V87 A88 M92 D93 D95 H103 H159 K207 I211	G86-H90 PolarHBondContact O-N 3.4Å; V87-H90 PolarHBondContact O-N 3.26Å; A88-H90 VanDerWaalsContact C-N 3.27Å; A88-H90 PolarHBondContact O-N 2.79Å; H90-M92 PolarHBondContact O-N 3.31Å; H90-M92 VanDerWaalsContact O-N 3.15Å; H90-D93 IonicContact CE1-OD1 3.26Å; H90-D93 PolarHBondContact CE1-OD1 3.01Å; H90-D93 PolarHBondContact O-N 2.9Å; H90-D95 IonicContact CE1-OD1 2.73Å; H90-D95 IonicContact CE1-OD2 2.63Å; H90-D95 IonicContact CG-OD1 3.14Å; H90-D95 IonicContact CG-OD2 3.64Å; H90-D95 VanDerWaalsContact ND1-CG 3.32Å; H90-D95 IonicContact ND1-OD1 3.82Å; H90-D95 PolarHBondContact ND1-OD1 3.21Å; H90-D95 IonicContact ND1-OD2 3.28Å; H90-D95 PolarHBondContact ND1-OD2 2.94Å; H90-H103 AromaticContact CE1-CD2 3.46Å; H90-H103 PolarHBondContact CE1-CD2 2.74Å; H90-H103 VanDerWaalsContact CE1-CD2 3.46Å; H90-H103 AromaticContact CE1-CG 3.76Å; H90-H103 AromaticContact CE1-NE2 3.81Å; H90-H159 AromaticContact NE2-CE1 3.72Å; H90-K207 WeakPolarHBondContact NE2-CE 3.44Å; H90-I211 HydrophobicContact CB-CB 3.75Å; H90-I211 HydrophobicContact CB-CG1 3.72Å; H90-I211 HydrophobicContact CB-CG2 4.15Å
91	S	98.6	Very high	98.8	Very high	2 Å²	2	2.9 Å²	2.9	1%	0.014	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.4	-172.9	58.9	0	0	0	0	113.7	G44 T47 V87 A88	G44-S91 WeakPolarHBondContact CA-OG 3.47Å; T47-S91 WeakPolarHBondContact CG2-OG 3.48Å; T47-S91 WeakPolarHBondContact OG1-CB 3.22Å; V87-S91 WeakPolarHBondContact O-CA 3.34Å; V87-S91 VanDerWaalsContact O-CB 3.24Å; V87-S91 WeakPolarHBondContact O-CB 3.09Å; V87-S91 PolarHBondContact O-N 3.02Å; A88-S91 WeakPolarHBondContact O-CB 3.49Å; A88-S91 PolarHBondContact O-N 3.46Å; A88-S91 VanDerWaalsContact O-N 3.15Å; A88-S91 PolarHBondContact O-OG 3.15Å
92	M	98.3	Very high	98.8	Very high	10 Å²	10	3 Å²	3	5%	0.049	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	9.1	-173.7	-60.2	169.8	68.8	0	0	112.5	L43 T47 H90 F94 P275 R331 V349	L43-M92 HydrophobicContact CD2-CE 3.86Å; L43-M92 HydrophobicContact CD2-SD 3.94Å; L43-M92 HydrophobicContact CG-CE 4.14Å; L43-M92 HydrophobicContact CG-SD 3.74Å; T47-M92 HydrophobicContact CG2-CG 3.66Å; T47-M92 HydrophobicContact CG2-SD 3.93Å; H90-M92 PolarHBondContact O-N 3.31Å; H90-M92 VanDerWaalsContact O-N 3.15Å; M92-F94 VanDerWaalsContact C-N 3.28Å; M92-F94 HydrophobicContact CB-CB 4.32Å; M92-F94 PolarHBondContact O-N 3.36Å; M92-P275 HydrophobicContact CB-CB 3.88Å; M92-P275 HydrophobicContact CE-CB 4.19Å; M92-P275 HydrophobicContact CE-CG 4.15Å; M92-P275 CarbonylContact O-C 3.6Å; M92-P275 VanDerWaalsContact O-CB 3.3Å; M92-P275 WeakPolarHBondContact O-CB 3.45Å; M92-R331 WeakPolarHBondContact O-CD 3.49Å; M92-V349 HydrophobicContact CE-CB 4.49Å; M92-V349 HydrophobicContact CE-CG1 3.42Å; M92-V349 VanDerWaalsContact CE-CG1 3.42Å; M92-V349 HydrophobicContact CE-CG2 4.39Å
93	D	98.3	Very high	98.8	Very high	4 Å²	4	3.7 Å²	3.7	2%	0.021	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	46.8	-172.9	-160	62.9	0	0	0	111.8	H90 H103 K207 K272 A276 H277	H90-D93 IonicContact CE1-OD1 3.26Å; H90-D93 PolarHBondContact CE1-OD1 3.01Å; H90-D93 PolarHBondContact O-N 2.9Å; D93-H103 IonicContact OD1-NE2 2.75Å; D93-K207 WeakPolarHBondContact OD1-CE 3.39Å; D93-K207 IonicContact OD1-NZ 2.67Å; D93-K207 PolarHBondContact OD1-NZ 3.34Å; D93-K207 IonicContact OD2-NZ 3.14Å; D93-K272 WeakPolarHBondContact O-CD 3.46Å; D93-K272 WeakPolarHBondContact O-CE 3.14Å; D93-K272 PolarHBondContact O-NZ 3.12Å; D93-K272 IonicContact OD1-NZ 2.76Å; D93-K272 IonicContact OD2-NZ 3.81Å; D93-K272 PolarHBondContact OD2-NZ 3.15Å; D93-A276 PolarHBondContact O-N 2.89Å; D93-A276 VanDerWaalsContact OD2-C 3.23Å; D93-H277 WeakPolarHBondContact OD2-CA 3.32Å; D93-H277 PolarHBondContact OD2-N 2.88Å; D93-H277 VanDerWaalsContact OD2-N 3.12Å
94	F	98.8	Very high	98.8	Very high	6 Å²	6	3.3 Å²	3.3	3%	0.026	2%	0.017	C	C	.	.			trans	-116.2	-8.9	-172.1	-154.2	-179.9	0	0	0	114.2	L43 M92 K272 P275 V349 K421	L43-F94 HydrophobicContact CD2-CD1 3.87Å; L43-F94 HydrophobicContact CD2-CE1 3.94Å; M92-F94 VanDerWaalsContact C-N 3.28Å; M92-F94 HydrophobicContact CB-CB 4.32Å; M92-F94 PolarHBondContact O-N 3.36Å; F94-K272 HydrophobicContact CD2-CB 3.75Å; F94-K272 HydrophobicContact CE2-CB 4.07Å; F94-K272 WeakPolarHBondContact CE2-O 3.49Å; F94-P275 HydrophobicContact CB-CB 3.76Å; F94-P275 HydrophobicContact CD1-CB 3.6Å; F94-P275 HydrophobicContact CD1-CG 4.16Å; F94-P275 HydrophobicContact CD2-CB 4.15Å; F94-P275 HydrophobicContact CE1-CB 4.17Å; F94-P275 HydrophobicContact CE1-CG 4.27Å; F94-P275 HydrophobicContact CG-CB 3.58Å; F94-V349 HydrophobicContact CE1-CG2 3.83Å; F94-K421 PolarHBondContact O-NZ 3.11Å
95	D	98.8	Very high	98.8	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.	S	Bend	trans	-68.5	167.9	174.7	56.6	-34.4	0	0	0	112.8	A40 I89 H90 H103 K272	A40-D95 HydrophobicContact CB-CB 4.43Å; I89-D95 HydrophobicContact CG2-CB 3.62Å; H90-D95 IonicContact CE1-OD1 2.73Å; H90-D95 IonicContact CE1-OD2 2.63Å; H90-D95 IonicContact CG-OD1 3.14Å; H90-D95 IonicContact CG-OD2 3.64Å; H90-D95 VanDerWaalsContact ND1-CG 3.32Å; H90-D95 IonicContact ND1-OD1 3.82Å; H90-D95 PolarHBondContact ND1-OD1 3.21Å; H90-D95 IonicContact ND1-OD2 3.28Å; H90-D95 PolarHBondContact ND1-OD2 2.94Å; D95-H103 IonicContact OD1-ND1 3.19Å; D95-H103 WeakPolarHBondContact OD2-CB 3.42Å; D95-H103 IonicContact OD2-CG 3.42Å; D95-H103 IonicContact OD2-ND1 3.22Å; D95-K272 WeakPolarHBondContact O-CD 3.35Å
96	D	98.8	Very high	98.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.			trans	-58.8	159.3	-176	70.2	-9.6	0	0	0	113.4	H103 P104 S105 V269 F271	D96-H103 PolarHBondContact O-ND1 2.87Å; D96-P104 WeakPolarHBondContact OD1-CD 3.44Å; D96-S105 WeakPolarHBondContact OD1-CB 3.14Å; D96-S105 PolarHBondContact OD1-N 3.18Å; D96-S105 VanDerWaalsContact OD2-CB 3.3Å; D96-S105 WeakPolarHBondContact OD2-CB 3.41Å; D96-S105 PolarHBondContact OD2-OG 3.01Å; D96-V269 HydrophobicContact CB-CB 4.42Å; D96-F271 HydrophobicContact CB-CD1 4.11Å; D96-F271 HydrophobicContact CB-CE1 4Å
97	T	98.9	Very high	98.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	B	Isolated β-bridge	trans	-136.9	138.9	178.4	-52	0	0	0	0	110.3	T102 H103 V269 A270 L278 F381	T97-T102 WeakPolarHBondContact CA-O 3.27Å; T97-H103 PolarHBondContact OG1-CE1 2.68Å; T97-H103 VanDerWaalsContact OG1-CE1 3.3Å; T97-H103 PolarHBondContact OG1-ND1 2.91Å; T97-V269 CarbonylContact O-C 3.56Å; T97-V269 WeakPolarHBondContact O-CA 3.3Å; T97-A270 PolarHBondContact N-O 2.66Å; T97-A270 PolarHBondContact O-N 3.15Å; T97-L278 HydrophobicContact CG2-CB 4.44Å; T97-L278 HydrophobicContact CG2-CD2 3.71Å; T97-F381 HydrophobicContact CG2-CD2 4.07Å; T97-F381 HydrophobicContact CG2-CE2 3.77Å; T97-F381 HydrophobicContact CG2-CZ 4.4Å
98	W	98.8	Very high	98.8	Very high	1 Å²	1	3.2 Å²	3.2	0%	0.004	2%	0.017	C	C	.	.	B	Isolated β-bridge	trans	-120.1	178.1	-174.5	-151.1	30.1	0	0	0	113.8	P100 T102 P104 I138 G142 L263 L264 Q267 D268 V269	W98-P100 CarbonylContact C-O 3.59Å; W98-P100 VanDerWaalsContact C-O 3.26Å; W98-P100 CarbonylContact O-C 3.59Å; W98-P100 VanDerWaalsContact O-O 3.13Å; W98-T102 HydrophobicContact CB-CG2 4.3Å; W98-T102 PolarHBondContact N-O 3.16Å; W98-P104 HydrophobicContact CB-CG 3.96Å; W98-P104 HydrophobicContact CE3-CB 4.39Å; W98-P104 HydrophobicContact CE3-CG 4.48Å; W98-P104 HydrophobicContact CG-CG 4.42Å; W98-I138 HydrophobicContact CE3-CG2 4.3Å; W98-I138 HydrophobicContact CH2-CG2 3.63Å; W98-I138 HydrophobicContact CZ2-CG2 4.16Å; W98-I138 HydrophobicContact CZ3-CG2 3.7Å; W98-I138 WeakPolarHBondContact CZ3-O 3.33Å; W98-G142 VanDerWaalsContact CZ3-CA 3.46Å; W98-L263 HydrophobicContact CH2-CB 3.79Å; W98-L263 HydrophobicContact CH2-CD1 4.35Å; W98-L263 HydrophobicContact CZ2-CB 3.99Å; W98-L264 HydrophobicContact CZ2-CB 4.22Å; W98-L264 HydrophobicContact CZ2-CD1 4.12Å; W98-Q267 PolarHBondContact NE1-O 3.08Å; W98-D268 VanDerWaalsContact CD1-O 3.23Å; W98-V269 HydrophobicContact CB-CG1 4.26Å; W98-V269 VanDerWaalsContact CD1-CG1 3.47Å; W98-V269 HydrophobicContact CG-CG1 3.92Å
99	H	98.6	Very high	98.8	Very high	19 Å²	19	3.2 Å²	3.2	9%	0.088	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	125.8	172.8	-173.4	69.2	0	0	0	110.5	Q267 W409	H99-Q267 HydrophobicContact CB-CG 4.03Å; H99-Q267 WeakPolarHBondContact O-CG 3.49Å; H99-W409 HydrophobicContact CB-CH2 3.68Å; H99-W409 HydrophobicContact CB-CZ2 3.74Å; H99-W409 HydrophobicContact CB-CZ3 4.26Å
100	P	98.7	Very high	98.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	cis	-60.6	166.1	-2.8	-16.5	29.9	0	0	0	113.8	W98 T102 L145 A151 K152	W98-P100 CarbonylContact C-O 3.59Å; W98-P100 VanDerWaalsContact C-O 3.26Å; W98-P100 CarbonylContact O-C 3.59Å; W98-P100 VanDerWaalsContact O-O 3.13Å; P100-T102 PolarHBondContact O-N 3.47Å; P100-T102 VanDerWaalsContact O-N 3.17Å; P100-L145 HydrophobicContact CB-CB 3.82Å; P100-L145 HydrophobicContact CB-CD1 4.23Å; P100-L145 HydrophobicContact CB-CG 4.43Å; P100-L145 HydrophobicContact CG-CB 3.74Å; P100-L145 WeakPolarHBondContact O-CD1 3.3Å; P100-A151 HydrophobicContact CB-CB 4.08Å; P100-A151 WeakPolarHBondContact CB-O 3.46Å; P100-K152 HydrophobicContact CB-CG 4.16Å; P100-K152 HydrophobicContact CG-CG 4.09Å
101	A	98.3	Very high	98.8	Very high	5 Å²	5	3.1 Å²	3.1	4%	0.041	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	112.2	-161.2	0	0	0	0	0	113.4	A151 P160 F381	A101-A151 PolarHBondContact N-O 2.93Å; A101-P160 VanDerWaalsContact O-CB 3.23Å; A101-P160 WeakPolarHBondContact O-CB 3.47Å; A101-P160 WeakPolarHBondContact O-CG 3.47Å; A101-F381 HydrophobicContact CB-CD2 3.89Å; A101-F381 HydrophobicContact CB-CE2 3.71Å
102	T	98.8	Very high	98.8	Very high	4 Å²	4	3 Å²	3	3%	0.025	2%	0.015	C	C	.	.	B	Isolated β-bridge	trans	-160.6	173.9	170.5	-165.3	0	0	0	0	111.1	T97 W98 P100 P104 L145	T97-T102 WeakPolarHBondContact CA-O 3.27Å; W98-T102 HydrophobicContact CB-CG2 4.3Å; W98-T102 PolarHBondContact N-O 3.16Å; P100-T102 PolarHBondContact O-N 3.47Å; P100-T102 VanDerWaalsContact O-N 3.17Å; T102-P104 HydrophobicContact CG2-CB 4.03Å; T102-P104 HydrophobicContact CG2-CG 4.49Å; T102-L145 HydrophobicContact CG2-CD1 3.63Å
103	H	98.9	Very high	98.8	Very high	14 Å²	14	2.7 Å²	2.7	7%	0.065	1%	0.014	C	C	.	.			trans	-112.4	89.8	169.9	-62.7	-73.4	0	0	0	108.2	H90 D93 D95 D96 T97 P161 I211	H90-H103 AromaticContact CE1-CD2 3.46Å; H90-H103 PolarHBondContact CE1-CD2 2.74Å; H90-H103 VanDerWaalsContact CE1-CD2 3.46Å; H90-H103 AromaticContact CE1-CG 3.76Å; H90-H103 AromaticContact CE1-NE2 3.81Å; D93-H103 IonicContact OD1-NE2 2.75Å; D95-H103 IonicContact OD1-ND1 3.19Å; D95-H103 WeakPolarHBondContact OD2-CB 3.42Å; D95-H103 IonicContact OD2-CG 3.42Å; D95-H103 IonicContact OD2-ND1 3.22Å; D96-H103 PolarHBondContact O-ND1 2.87Å; T97-H103 PolarHBondContact OG1-CE1 2.68Å; T97-H103 VanDerWaalsContact OG1-CE1 3.3Å; T97-H103 PolarHBondContact OG1-ND1 2.91Å; H103-P161 HydrophobicContact CB-CG 4.1Å; H103-I211 HydrophobicContact CB-CD1 4.14Å; H103-I211 WeakPolarHBondContact O-CD1 3.48Å
104	P	98.9	Very high	98.8	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.013	C	C	.	.			trans	-83	-31.3	-160.2	33.9	-39.6	0	0	0	114.1	M33 D96 W98 T102 I138 Q141 V269	M33-P104 HydrophobicContact CE-CG 4.17Å; D96-P104 WeakPolarHBondContact OD1-CD 3.44Å; W98-P104 HydrophobicContact CB-CG 3.96Å; W98-P104 HydrophobicContact CE3-CB 4.39Å; W98-P104 HydrophobicContact CE3-CG 4.48Å; W98-P104 HydrophobicContact CG-CG 4.42Å; T102-P104 HydrophobicContact CG2-CB 4.03Å; T102-P104 HydrophobicContact CG2-CG 4.49Å; P104-I138 HydrophobicContact CB-CD1 3.74Å; P104-I138 HydrophobicContact CG-CD1 4.27Å; P104-Q141 PolarHBondContact O-NE2 3.4Å; P104-V269 HydrophobicContact CG-CG1 4.49Å
105	S	98.9	Very high	98.8	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.	S	Bend	trans	-78.5	-34.8	-169.4	-63.9	0	0	0	0	113.2	M33 T37 D96 A107 V108 L109 F134	M33-S105 WeakPolarHBondContact CE-OG 3.46Å; T37-S105 WeakPolarHBondContact OG1-CB 3.38Å; D96-S105 WeakPolarHBondContact OD1-CB 3.14Å; D96-S105 PolarHBondContact OD1-N 3.18Å; D96-S105 VanDerWaalsContact OD2-CB 3.3Å; D96-S105 WeakPolarHBondContact OD2-CB 3.41Å; D96-S105 PolarHBondContact OD2-OG 3.01Å; S105-A107 PolarHBondContact O-N 3.2Å; S105-V108 PolarHBondContact O-N 3.39Å; S105-L109 PolarHBondContact O-N 2.85Å; S105-F134 WeakPolarHBondContact OG-CZ 3.37Å
106	G	98.9	Very high	98.8	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.3	179.2	0	0	0	0	0	114.4	P110 I211	G106-P110 VanDerWaalsContact O-CD 3.27Å; G106-P110 WeakPolarHBondContact O-CD 3.37Å; G106-P110 WeakPolarHBondContact O-CG 3.49Å; G106-I211 VanDerWaalsContact C-CG2 3.43Å; G106-I211 VanDerWaalsContact O-CG2 3.3Å; G106-I211 WeakPolarHBondContact O-CG2 3.11Å
107	A	98.9	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.4	175.6	0	0	0	0	0	113.5	S105 V111 S169 I211 A214	S105-A107 PolarHBondContact O-N 3.2Å; A107-V111 WeakPolarHBondContact O-CG2 3.34Å; A107-S169 WeakPolarHBondContact O-CB 3.32Å; A107-I211 HydrophobicContact CB-CD1 4.44Å; A107-A214 HydrophobicContact CB-CB 4.05Å
108	V	98.9	Very high	98.8	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-50.8	-168.3	172.8	0	0	0	0	112.1	S105 V111 L112 F134 I138 Q141 T172	S105-V108 PolarHBondContact O-N 3.39Å; V108-V111 VanDerWaalsContact O-CB 3.29Å; V108-V111 WeakPolarHBondContact O-CB 3.32Å; V108-V111 PolarHBondContact O-N 2.85Å; V108-L112 HydrophobicContact CG1-CD1 4.27Å; V108-L112 PolarHBondContact O-N 3.21Å; V108-F134 HydrophobicContact CB-CD2 4.29Å; V108-F134 HydrophobicContact CB-CE2 4.37Å; V108-F134 HydrophobicContact CG1-CB 4.26Å; V108-F134 HydrophobicContact CG1-CD2 3.49Å; V108-F134 VanDerWaalsContact CG1-CD2 3.49Å; V108-F134 HydrophobicContact CG1-CE2 4.03Å; V108-F134 HydrophobicContact CG1-CG 4.02Å; V108-I138 HydrophobicContact CG2-CD1 4.33Å; V108-Q141 VanDerWaalsContact CG2-NE2 3.29Å; V108-T172 HydrophobicContact CG1-CG2 3.84Å; V108-T172 WeakPolarHBondContact CG1-OG1 3.26Å
109	L	98.9	Very high	98.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61	-46.2	-176.3	-173.9	58	0	0	0	114.6	I34 T37 L38 W69 S105 V111 L112 T113 F134	I34-L109 HydrophobicContact CB-CD2 4.46Å; I34-L109 HydrophobicContact CG1-CD1 4.2Å; I34-L109 HydrophobicContact CG2-CD1 4.1Å; I34-L109 HydrophobicContact CG2-CD2 4.08Å; T37-L109 HydrophobicContact CG2-CB 4.12Å; T37-L109 HydrophobicContact CG2-CD2 3.67Å; L38-L109 HydrophobicContact CD2-CD2 3.85Å; L38-L109 HydrophobicContact CG-CD2 3.86Å; W69-L109 HydrophobicContact CH2-CD2 4.14Å; W69-L109 HydrophobicContact CH2-CG 4.17Å; W69-L109 HydrophobicContact CZ2-CG 4.45Å; S105-L109 PolarHBondContact O-N 2.85Å; L109-V111 PolarHBondContact O-N 3.37Å; L109-L112 PolarHBondContact O-N 3.07Å; L109-T113 HydrophobicContact CD1-CG2 4.17Å; L109-T113 PolarHBondContact O-N 2.68Å; L109-T113 VanDerWaalsContact O-N 3.07Å; L109-T113 PolarHBondContact O-OG1 3.36Å; L109-T113 VanDerWaalsContact O-OG1 3.07Å; L109-F134 HydrophobicContact CB-CE2 4.15Å
110	P	98.9	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.4	-22.2	179.2	28.3	-36	0	0	0	112.3	W69 A82 N85 I89 G106 T113 A114 A215	W69-P110 HydrophobicContact CH2-CB 4.43Å; W69-P110 HydrophobicContact CZ2-CB 4.27Å; A82-P110 HydrophobicContact CB-CB 4.48Å; N85-P110 HydrophobicContact CB-CB 3.73Å; I89-P110 HydrophobicContact CD1-CB 4.27Å; I89-P110 HydrophobicContact CD1-CG 3.86Å; G106-P110 VanDerWaalsContact O-CD 3.27Å; G106-P110 WeakPolarHBondContact O-CD 3.37Å; G106-P110 WeakPolarHBondContact O-CG 3.49Å; P110-T113 WeakPolarHBondContact CA-OG1 3.35Å; P110-T113 PolarHBondContact O-OG1 2.75Å; P110-A114 WeakPolarHBondContact O-CB 3.35Å; P110-A114 PolarHBondContact O-N 3.12Å; P110-A114 VanDerWaalsContact O-N 3.14Å; P110-A215 HydrophobicContact CG-CB 4.1Å
111	V	98.9	Very high	98.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.7	-50.9	172.5	174	0	0	0	0	110.5	A107 V108 L109 A114 L115 S169 T172 A173 A215 I219	A107-V111 WeakPolarHBondContact O-CG2 3.34Å; V108-V111 VanDerWaalsContact O-CB 3.29Å; V108-V111 WeakPolarHBondContact O-CB 3.32Å; V108-V111 PolarHBondContact O-N 2.85Å; L109-V111 PolarHBondContact O-N 3.37Å; V111-A114 PolarHBondContact O-N 2.91Å; V111-L115 HydrophobicContact CG1-CD1 3.75Å; V111-L115 HydrophobicContact CG1-CG 4.38Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 VanDerWaalsContact O-CG 3.26Å; V111-L115 WeakPolarHBondContact O-CG 3.25Å; V111-L115 PolarHBondContact O-N 2.94Å; V111-S169 VanDerWaalsContact CG2-OG 3.26Å; V111-S169 WeakPolarHBondContact CG2-OG 3.43Å; V111-T172 HydrophobicContact CB-CG2 4.44Å; V111-T172 HydrophobicContact CG1-CG2 4.13Å; V111-A173 HydrophobicContact CG1-CB 4.05Å; V111-A215 HydrophobicContact CG2-CB 3.84Å; V111-I219 HydrophobicContact CB-CD1 4.27Å; V111-I219 HydrophobicContact CB-CG1 4.34Å; V111-I219 HydrophobicContact CG1-CD1 3.96Å; V111-I219 HydrophobicContact CG1-CG1 3.62Å; V111-I219 HydrophobicContact CG2-CD1 4.16Å; V111-I219 HydrophobicContact CG2-CG1 4.17Å
112	L	98.9	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.2	-45.4	-177.4	-70.4	171.2	0	0	0	112.4	V108 L109 A114 L115 A116 F125 L130 A133 F134 T172 F176	V108-L112 HydrophobicContact CG1-CD1 4.27Å; V108-L112 PolarHBondContact O-N 3.21Å; L109-L112 PolarHBondContact O-N 3.07Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 3.32Å; L112-L115 PolarHBondContact O-N 2.97Å; L112-A116 WeakPolarHBondContact O-CB 3.12Å; L112-A116 PolarHBondContact O-N 2.81Å; L112-F125 HydrophobicContact CD2-CZ 4.41Å; L112-L130 HydrophobicContact CD1-CD2 4.36Å; L112-L130 HydrophobicContact CD1-CG 4.26Å; L112-A133 HydrophobicContact CD1-CB 4.27Å; L112-A133 HydrophobicContact CD2-CB 3.54Å; L112-F134 HydrophobicContact CD1-CB 3.67Å; L112-F134 HydrophobicContact CD1-CD2 4.35Å; L112-T172 HydrophobicContact CD1-CG2 3.83Å; L112-T172 HydrophobicContact CD2-CG2 3.4Å; L112-T172 HydrophobicContact CG-CG2 3.37Å; L112-F176 HydrophobicContact CD2-CB 4.21Å; L112-F176 HydrophobicContact CD2-CD2 4.35Å
113	T	98.8	Very high	98.1	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-39.8	178.8	52.2	0	0	0	0	111.3	W69 L109 P110 E117 L458	W69-T113 HydrophobicContact CZ2-CG2 4.26Å; W69-T113 WeakPolarHBondContact CZ2-OG1 3.49Å; L109-T113 HydrophobicContact CD1-CG2 4.17Å; L109-T113 PolarHBondContact O-N 2.68Å; L109-T113 VanDerWaalsContact O-N 3.07Å; L109-T113 PolarHBondContact O-OG1 3.36Å; L109-T113 VanDerWaalsContact O-OG1 3.07Å; P110-T113 WeakPolarHBondContact CA-OG1 3.35Å; P110-T113 PolarHBondContact O-OG1 2.75Å; T113-E117 PolarHBondContact O-N 3.44Å; T113-L458 HydrophobicContact CG2-CD1 3.66Å
114	A	98.9	Very high	98	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-50.4	175	0	0	0	0	0	112	S66 P78 A81 A82 P110 V111 L112 E117 A118	S66-A114 WeakPolarHBondContact OG-CA 3.42Å; S66-A114 PolarHBondContact OG-O 2.76Å; P78-A114 HydrophobicContact CB-CB 4.14Å; P78-A114 WeakPolarHBondContact O-CB 3.35Å; A81-A114 HydrophobicContact CB-CB 4.23Å; A82-A114 HydrophobicContact CB-CB 4.18Å; P110-A114 WeakPolarHBondContact O-CB 3.35Å; P110-A114 PolarHBondContact O-N 3.12Å; P110-A114 VanDerWaalsContact O-N 3.14Å; V111-A114 PolarHBondContact O-N 2.91Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 3.32Å; A114-E117 PolarHBondContact O-N 3.45Å; A114-A118 WeakPolarHBondContact O-CB 3.23Å; A114-A118 PolarHBondContact O-N 3.44Å
115	L	98.9	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-40.9	-178.2	-68.4	176.8	0	0	0	112.6	P78 V111 L112 E117 A118 L119 A173 F176 I219 F223	P78-L115 HydrophobicContact CB-CD2 4.34Å; V111-L115 HydrophobicContact CG1-CD1 3.75Å; V111-L115 HydrophobicContact CG1-CG 4.38Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 VanDerWaalsContact O-CG 3.26Å; V111-L115 WeakPolarHBondContact O-CG 3.25Å; V111-L115 PolarHBondContact O-N 2.94Å; L112-L115 PolarHBondContact O-N 2.97Å; L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 PolarHBondContact O-N 3.14Å; L115-A118 PolarHBondContact O-N 2.8Å; L115-L119 HydrophobicContact CD2-CD1 4.14Å; L115-L119 WeakPolarHBondContact O-CB 3.5Å; L115-L119 PolarHBondContact O-N 2.79Å; L115-A173 HydrophobicContact CD1-CB 3.76Å; L115-F176 VanDerWaalsContact C-CZ 3.45Å; L115-F176 HydrophobicContact CB-CD1 3.68Å; L115-F176 HydrophobicContact CB-CD2 4.25Å; L115-F176 HydrophobicContact CB-CE1 3.63Å; L115-F176 HydrophobicContact CB-CE2 4.2Å; L115-F176 HydrophobicContact CB-CG 4.02Å; L115-F176 HydrophobicContact CB-CZ 3.9Å; L115-F176 HydrophobicContact CD1-CB 4.25Å; L115-F176 HydrophobicContact CD1-CD1 3.9Å; L115-F176 HydrophobicContact CD1-CG 4.13Å; L115-F176 HydrophobicContact CG-CD1 4.34Å; L115-F176 WeakPolarHBondContact O-CZ 3.42Å; L115-I219 HydrophobicContact CD1-CG1 4.49Å; L115-I219 HydrophobicContact CD2-CG2 4.18Å; L115-F223 HydrophobicContact CD2-CE1 4.03Å; L115-F223 HydrophobicContact CD2-CZ 3.72Å
116	A	98.5	Very high	98	Very high	16 Å²	16	35.4 Å²	35.4	13%	0.132	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-35.7	178.1	0	0	0	0	0	112.4	L112 F125 F176	L112-A116 WeakPolarHBondContact O-CB 3.12Å; L112-A116 PolarHBondContact O-N 2.81Å; A116-F125 HydrophobicContact CB-CD1 4.03Å; A116-F125 HydrophobicContact CB-CE1 4.49Å; A116-F176 HydrophobicContact CB-CE2 4.02Å
117	E	98.4	Very high	98	Very high	34 Å²	34	35.4 Å²	35.4	16%	0.159	20%	0.2	C	C	.	.	H	α-helix	trans	-78	-44.1	175.5	-169.1	179.8	176.5	0	0	112.6	T67 R75 T113 A114 L115 K459	T67-E117 VanDerWaalsContact CB-OE2 3.32Å; T67-E117 WeakPolarHBondContact CB-OE2 3.39Å; T67-E117 PolarHBondContact N-OE2 3.42Å; T67-E117 PolarHBondContact OG1-OE1 3.06Å; T67-E117 PolarHBondContact OG1-OE2 2.81Å; R75-E117 IonicContact CZ-OE1 2.81Å; R75-E117 VanDerWaalsContact CZ-OE1 3.22Å; R75-E117 IonicContact NH1-OE1 3.22Å; R75-E117 PolarHBondContact NH1-OE1 3.4Å; R75-E117 IonicContact NH2-OE1 3.37Å; R75-E117 PolarHBondContact NH2-OE1 2.87Å; T113-E117 PolarHBondContact O-N 3.44Å; A114-E117 PolarHBondContact O-N 3.45Å; L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 PolarHBondContact O-N 3.14Å; E117-K459 WeakPolarHBondContact OE1-CE 3.27Å; E117-K459 IonicContact OE1-NZ 3.59Å
118	A	98.5	Very high	98	Very high	9 Å²	9	38.3 Å²	38.3	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-76	-28.6	-174.8	0	0	0	0	0	114	I64 S66 P78 A114 L115	I64-A118 HydrophobicContact CB-CB 4.42Å; S66-A118 VanDerWaalsContact OG-CB 3.31Å; S66-A118 WeakPolarHBondContact OG-CB 3.46Å; P78-A118 HydrophobicContact CB-CB 3.84Å; P78-A118 HydrophobicContact CG-CB 3.86Å; A114-A118 WeakPolarHBondContact O-CB 3.23Å; A114-A118 PolarHBondContact O-N 3.44Å; L115-A118 PolarHBondContact O-N 2.8Å
119	L	98.3	Very high	98	Very high	48 Å²	48	41.3 Å²	41.3	25%	0.251	23%	0.232	S	C	.	.	S	Bend	trans	-129	72.4	-174.1	-59	175	0	0	0	110.5	I64 L115 R121 F176 L177 F223	I64-L119 HydrophobicContact CD1-CD2 4.04Å; I64-L119 HydrophobicContact CG2-CD2 4.42Å; L115-L119 HydrophobicContact CD2-CD1 4.14Å; L115-L119 WeakPolarHBondContact O-CB 3.5Å; L115-L119 PolarHBondContact O-N 2.79Å; L119-R121 PolarHBondContact O-N 2.87Å; L119-F176 HydrophobicContact CB-CE1 4.16Å; L119-F176 HydrophobicContact CB-CZ 4.49Å; L119-L177 HydrophobicContact CD1-CD2 3.85Å; L119-F223 HydrophobicContact CD1-CE1 4.12Å; L119-F223 HydrophobicContact CD1-CZ 4.17Å
120	P	95.7	Very high	98	Very high	114 Å²	114	41.3 Å²	41.3	74%	0.74	23%	0.232	S	C	*	.			trans	-53.8	137.7	176.1	-24.6	34.1	0	0	0	111.7
121	R	95.6	Very high	98	Very high	109 Å²	109	41.3 Å²	41.3	41%	0.411	23%	0.232	S	C	.	.			trans	-104.6	155.4	-177.8	-62.4	-157.8	62.7	-176.1	-10.3	112	L119 P123 K124 F176	L119-R121 PolarHBondContact O-N 2.87Å; R121-P123 CarbonylContact C-O 3.43Å; R121-P123 WeakPolarHBondContact CB-O 3.46Å; R121-P123 CarbonylContact O-C 3.56Å; R121-K124 WeakPolarHBondContact O-CA 3.19Å; R121-K124 PolarHBondContact O-N 2.92Å; R121-F176 HydrophobicContact CG-CZ 4.26Å; R121-F176 PolarHBondContact NH1-O 2.85Å
122	S	93.7	Very high	98	Very high	121 Å²	121	41.9 Å²	41.9	85%	0.846	24%	0.235	S	C	*	.	S	Bend	trans	-126.7	112.2	165.9	-178.4	0	0	0	0	108.5
123	P	95.2	Very high	98	Very high	113 Å²	113	42 Å²	42	73%	0.734	24%	0.235	S	C	*	.	S	Bend	cis	-62.3	162	-1	29.5	-36.6	0	0	0	113.1	R121	R121-P123 CarbonylContact C-O 3.43Å; R121-P123 WeakPolarHBondContact CB-O 3.46Å; R121-P123 CarbonylContact O-C 3.56Å
124	K	97.6	Very high	98	Very high	132 Å²	132	41.8 Å²	41.8	57%	0.574	23%	0.234	S	C	*	.			trans	-56.6	147.3	179.3	-69.3	175.6	165.2	-158.2	0	110.8	R121 S126 D450	R121-K124 WeakPolarHBondContact O-CA 3.19Å; R121-K124 PolarHBondContact O-N 2.92Å; K124-S126 PolarHBondContact O-N 3.03Å; K124-D450 HydrophobicContact CD-CB 4.06Å; K124-D450 VanDerWaalsContact CD-OD2 3.26Å; K124-D450 WeakPolarHBondContact CD-OD2 3.14Å; K124-D450 VanDerWaalsContact CE-OD2 3.23Å; K124-D450 WeakPolarHBondContact CE-OD2 3.43Å; K124-D450 IonicContact NZ-OD2 2.71Å; K124-D450 PolarHBondContact NZ-OD2 3.22Å
125	F	98.5	Very high	98	Very high	16 Å²	16	41.8 Å²	41.8	7%	0.07	23%	0.234	C	C	.	.			trans	-77.5	106.6	177.9	-168.2	-108.4	0	0	0	109.3	L112 A116 D129 L130 A133 F176 C451	L112-F125 HydrophobicContact CD2-CZ 4.41Å; A116-F125 HydrophobicContact CB-CD1 4.03Å; A116-F125 HydrophobicContact CB-CE1 4.49Å; F125-D129 HydrophobicContact CD2-CB 3.55Å; F125-D129 HydrophobicContact CE1-CB 4.37Å; F125-D129 HydrophobicContact CE2-CB 3.32Å; F125-D129 HydrophobicContact CG-CB 4.17Å; F125-D129 VanDerWaalsContact CZ-C 3.42Å; F125-D129 HydrophobicContact CZ-CB 3.76Å; F125-D129 WeakPolarHBondContact CZ-O 3.28Å; F125-L130 HydrophobicContact CD1-CB 4.47Å; F125-L130 HydrophobicContact CE1-CB 3.67Å; F125-L130 HydrophobicContact CE1-CG 4.31Å; F125-L130 HydrophobicContact CZ-CB 4.28Å; F125-A133 HydrophobicContact CZ-CB 4.49Å; F125-F176 HydrophobicContact CD1-CD2 4.32Å; F125-F176 AromaticContact CD1-CE2 3.96Å; F125-F176 HydrophobicContact CD1-CE2 3.96Å; F125-F176 AromaticContact CD2-CD2 3.92Å; F125-F176 HydrophobicContact CD2-CD2 3.92Å; F125-F176 AromaticContact CD2-CE2 3.78Å; F125-F176 HydrophobicContact CD2-CE2 3.78Å; F125-F176 AromaticContact CE1-CD2 3.92Å; F125-F176 HydrophobicContact CE1-CD2 3.92Å; F125-F176 HydrophobicContact CE1-CE2 4.01Å; F125-F176 AromaticContact CE2-CD2 3.47Å; F125-F176 HydrophobicContact CE2-CD2 3.47Å; F125-F176 VanDerWaalsContact CE2-CD2 3.47Å; F125-F176 AromaticContact CE2-CE2 3.83Å; F125-F176 HydrophobicContact CE2-CE2 3.83Å; F125-F176 HydrophobicContact CE2-CG 4.44Å; F125-F176 HydrophobicContact CG-CD2 4.32Å; F125-F176 AromaticContact CG-CE2 3.85Å; F125-F176 HydrophobicContact CG-CE2 3.85Å; F125-F176 AromaticContact CZ-CD2 3.49Å; F125-F176 HydrophobicContact CZ-CD2 3.49Å; F125-F176 VanDerWaalsContact CZ-CD2 3.49Å; F125-F176 AromaticContact CZ-CE2 3.97Å; F125-F176 HydrophobicContact CZ-CE2 3.97Å; F125-C451 HydrophobicContact CD1-CB 4.05Å; F125-C451 VanDerWaalsContact O-CB 3.3Å; F125-C451 WeakPolarHBondContact O-CB 3.4Å; F125-C451 PolarHBondContact O-N 2.81Å; F125-C451 PolarHBondContact O-SG 3.06Å
126	S	98.8	Very high	98	Very high	26 Å²	26	41.9 Å²	41.9	18%	0.182	23%	0.234	C	C	.	.			trans	-78.7	166.7	-177.9	68.6	0	0	0	0	111.9	K124 L128 D129 L130 L448 C451	K124-S126 PolarHBondContact O-N 3.03Å; S126-L128 VanDerWaalsContact C-N 3.3Å; S126-L128 PolarHBondContact O-N 3.46Å; S126-D129 WeakPolarHBondContact CB-OD2 3.5Å; S126-D129 PolarHBondContact N-OD2 2.85Å; S126-D129 WeakPolarHBondContact O-CB 3.4Å; S126-D129 PolarHBondContact O-N 3.1Å; S126-D129 VanDerWaalsContact O-N 3.14Å; S126-D129 PolarHBondContact OG-N 3.08Å; S126-D129 VanDerWaalsContact OG-N 3.14Å; S126-D129 PolarHBondContact OG-OD2 2.97Å; S126-L130 PolarHBondContact O-N 3.4Å; S126-L448 CarbonylContact C-O 3.39Å; S126-L448 WeakPolarHBondContact CA-O 3.4Å; S126-L448 WeakPolarHBondContact CB-O 3.45Å; S126-C451 PolarHBondContact O-SG 2.81Å
127	G	98.8	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-28.5	173.6	0	0	0	0	0	113	L130 L131 L445 L448	G127-L130 WeakPolarHBondContact O-CB 3.45Å; G127-L130 PolarHBondContact O-N 2.91Å; G127-L131 WeakPolarHBondContact O-CB 3.38Å; G127-L131 WeakPolarHBondContact O-CG 3.31Å; G127-L131 PolarHBondContact O-N 2.89Å; G127-L445 CarbonylContact C-O 3.55Å; G127-L445 WeakPolarHBondContact CA-O 3.48Å; G127-L448 PolarHBondContact N-O 3.48Å
128	L	98.7	Very high	98	Very high	61 Å²	61	39.5 Å²	39.5	32%	0.319	22%	0.221	S	C	.	.	H	α-helix	trans	-64.5	-37.6	167.1	-83.6	174.3	0	0	0	112.6	L22 S126 L130 L131 L132 E446	L22-L128 HydrophobicContact CD1-CD2 4.34Å; S126-L128 VanDerWaalsContact C-N 3.3Å; S126-L128 PolarHBondContact O-N 3.46Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-L131 HydrophobicContact CD2-CD1 4.42Å; L128-L131 PolarHBondContact O-N 3.36Å; L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 PolarHBondContact O-N 3.29Å; L128-E446 HydrophobicContact CD2-CB 3.85Å; L128-E446 HydrophobicContact CG-CB 4.24Å; L128-E446 WeakPolarHBondContact CG-O 3.37Å
129	D	98.9	Very high	98	Very high	63 Å²	63	39.3 Å²	39.3	34%	0.337	22%	0.218	S	C	.	.	H	α-helix	trans	-66.3	-38.9	174.4	-62	-56.2	0	0	0	111.2	F125 S126 L132 A133	F125-D129 HydrophobicContact CD2-CB 3.55Å; F125-D129 HydrophobicContact CE1-CB 4.37Å; F125-D129 HydrophobicContact CE2-CB 3.32Å; F125-D129 HydrophobicContact CG-CB 4.17Å; F125-D129 VanDerWaalsContact CZ-C 3.42Å; F125-D129 HydrophobicContact CZ-CB 3.76Å; F125-D129 WeakPolarHBondContact CZ-O 3.28Å; S126-D129 WeakPolarHBondContact CB-OD2 3.5Å; S126-D129 PolarHBondContact N-OD2 2.85Å; S126-D129 WeakPolarHBondContact O-CB 3.4Å; S126-D129 PolarHBondContact O-N 3.1Å; S126-D129 VanDerWaalsContact O-N 3.14Å; S126-D129 PolarHBondContact OG-N 3.08Å; S126-D129 VanDerWaalsContact OG-N 3.14Å; S126-D129 PolarHBondContact OG-OD2 2.97Å; D129-L132 PolarHBondContact O-N 3.12Å; D129-A133 WeakPolarHBondContact O-CB 3.31Å; D129-A133 PolarHBondContact O-N 3.09Å
130	L	98.9	Very high	98.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-51.3	173.3	-172	159.3	0	0	0	110.9	I34 L112 F125 S126 G127 L128 L132 A133 F134 L445 L454	I34-L130 HydrophobicContact CD1-CD2 3.85Å; L112-L130 HydrophobicContact CD1-CD2 4.36Å; L112-L130 HydrophobicContact CD1-CG 4.26Å; F125-L130 HydrophobicContact CD1-CB 4.47Å; F125-L130 HydrophobicContact CE1-CB 3.67Å; F125-L130 HydrophobicContact CE1-CG 4.31Å; F125-L130 HydrophobicContact CZ-CB 4.28Å; S126-L130 PolarHBondContact O-N 3.4Å; G127-L130 WeakPolarHBondContact O-CB 3.45Å; G127-L130 PolarHBondContact O-N 2.91Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 2.99Å; L130-A133 PolarHBondContact O-N 3.11Å; L130-F134 WeakPolarHBondContact O-CB 3.47Å; L130-F134 PolarHBondContact O-N 3.41Å; L130-L445 HydrophobicContact CD2-CD2 3.94Å; L130-L454 HydrophobicContact CD1-CD2 3.96Å
131	L	98.9	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.5	-42.2	177.5	-75.7	166	0	0	0	111.5	L22 I27 S30 K31 I34 G127 L128 N135 L445 E446	L22-L131 HydrophobicContact CD1-CB 4.17Å; I27-L131 HydrophobicContact CG2-CD1 4.07Å; S30-L131 WeakPolarHBondContact OG-CD2 3.46Å; K31-L131 HydrophobicContact CG-CD2 4.11Å; I34-L131 HydrophobicContact CD1-CD2 4.09Å; G127-L131 WeakPolarHBondContact O-CB 3.38Å; G127-L131 WeakPolarHBondContact O-CG 3.31Å; G127-L131 PolarHBondContact O-N 2.89Å; L128-L131 HydrophobicContact CD2-CD1 4.42Å; L128-L131 PolarHBondContact O-N 3.36Å; L131-N135 WeakPolarHBondContact O-CB 3.44Å; L131-N135 PolarHBondContact O-N 2.95Å; L131-N135 PolarHBondContact O-ND2 3.17Å; L131-L445 HydrophobicContact CD1-CB 4.31Å; L131-L445 HydrophobicContact CD1-CG 4.36Å; L131-L445 HydrophobicContact CD2-CD2 4.08Å; L131-L445 HydrophobicContact CG-CD2 4.08Å; L131-L445 HydrophobicContact CG-CG 4.27Å; L131-E446 HydrophobicContact CD1-CB 4.02Å
132	L	98.9	Very high	98.4	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.063	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-51.5	176.8	177.2	63.7	0	0	0	111.5	L17 L22 L128 D129 L130 F134 N135 V136	L17-L132 HydrophobicContact CB-CD1 4.34Å; L22-L132 HydrophobicContact CD1-CB 4.18Å; L22-L132 HydrophobicContact CD2-CD1 4.42Å; L22-L132 HydrophobicContact CG-CD1 4.35Å; L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 PolarHBondContact O-N 3.29Å; D129-L132 PolarHBondContact O-N 3.12Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 2.99Å; L132-F134 VanDerWaalsContact C-N 3.31Å; L132-F134 PolarHBondContact O-N 2.8Å; L132-N135 PolarHBondContact O-N 3.38Å; L132-V136 HydrophobicContact CD1-CG2 4.31Å; L132-V136 VanDerWaalsContact O-CG2 3.27Å; L132-V136 WeakPolarHBondContact O-CG2 3.43Å; L132-V136 PolarHBondContact O-N 2.96Å
133	A	98.9	Very high	98.6	Very high	1 Å²	1	23 Å²	23	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-36.3	-178.2	0	0	0	0	0	111.9	L112 F125 D129 L130 G137 K175	L112-A133 HydrophobicContact CD1-CB 4.27Å; L112-A133 HydrophobicContact CD2-CB 3.54Å; F125-A133 HydrophobicContact CZ-CB 4.49Å; D129-A133 WeakPolarHBondContact O-CB 3.31Å; D129-A133 PolarHBondContact O-N 3.09Å; L130-A133 PolarHBondContact O-N 3.11Å; A133-G137 PolarHBondContact O-N 3.39Å; A133-G137 VanDerWaalsContact O-N 3.15Å; A133-K175 HydrophobicContact CB-CB 4.1Å; A133-K175 HydrophobicContact CB-CG 3.85Å
134	F	98.9	Very high	98.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.2	-54.7	174	-178.9	-90.3	0	0	0	110.3	M33 I34 S105 V108 L109 L112 L130 L132 V136 G137 I138	M33-F134 HydrophobicContact CB-CE1 4.26Å; M33-F134 HydrophobicContact CB-CZ 3.97Å; M33-F134 HydrophobicContact CE-CE1 3.94Å; M33-F134 HydrophobicContact CE-CZ 4.01Å; M33-F134 HydrophobicContact SD-CE1 4.33Å; I34-F134 HydrophobicContact CD1-CD1 4.48Å; I34-F134 HydrophobicContact CD1-CD2 4.38Å; I34-F134 HydrophobicContact CD1-CG 4.32Å; I34-F134 HydrophobicContact CG1-CD2 4.09Å; I34-F134 HydrophobicContact CG1-CE1 4.35Å; I34-F134 HydrophobicContact CG1-CE2 3.89Å; I34-F134 HydrophobicContact CG1-CG 4.43Å; I34-F134 HydrophobicContact CG1-CZ 4.02Å; S105-F134 WeakPolarHBondContact OG-CZ 3.37Å; V108-F134 HydrophobicContact CB-CD2 4.29Å; V108-F134 HydrophobicContact CB-CE2 4.37Å; V108-F134 HydrophobicContact CG1-CB 4.26Å; V108-F134 HydrophobicContact CG1-CD2 3.49Å; V108-F134 VanDerWaalsContact CG1-CD2 3.49Å; V108-F134 HydrophobicContact CG1-CE2 4.03Å; V108-F134 HydrophobicContact CG1-CG 4.02Å; L109-F134 HydrophobicContact CB-CE2 4.15Å; L112-F134 HydrophobicContact CD1-CB 3.67Å; L112-F134 HydrophobicContact CD1-CD2 4.35Å; L130-F134 WeakPolarHBondContact O-CB 3.47Å; L130-F134 PolarHBondContact O-N 3.41Å; L132-F134 VanDerWaalsContact C-N 3.31Å; L132-F134 PolarHBondContact O-N 2.8Å; F134-V136 VanDerWaalsContact C-N 3.32Å; F134-V136 PolarHBondContact O-N 3.03Å; F134-G137 WeakPolarHBondContact O-CA 3.07Å; F134-G137 PolarHBondContact O-N 3.05Å; F134-I138 HydrophobicContact CD1-CG1 3.89Å; F134-I138 HydrophobicContact CE1-CD1 3.97Å; F134-I138 HydrophobicContact CE1-CG1 3.58Å; F134-I138 HydrophobicContact CE2-CD1 4.47Å; F134-I138 HydrophobicContact CZ-CD1 3.9Å; F134-I138 HydrophobicContact CZ-CG1 4.04Å; F134-I138 WeakPolarHBondContact O-CG1 3.5Å; F134-I138 PolarHBondContact O-N 3.45Å
135	N	98.9	Very high	98.9	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-66.2	-32.6	-177.5	-76.6	-67.2	0	0	0	112.9	L22 V26 S30 L131 L132 G137 I138 E139 W262 L264	L22-N135 HydrophobicContact CD2-CB 4.02Å; V26-N135 HydrophobicContact CG1-CB 4Å; V26-N135 WeakPolarHBondContact CG1-OD1 3.23Å; S30-N135 WeakPolarHBondContact CB-ND2 3.08Å; S30-N135 WeakPolarHBondContact CB-OD1 3.27Å; S30-N135 PolarHBondContact OG-ND2 3.17Å; L131-N135 WeakPolarHBondContact O-CB 3.44Å; L131-N135 PolarHBondContact O-N 2.95Å; L131-N135 PolarHBondContact O-ND2 3.17Å; L132-N135 PolarHBondContact O-N 3.38Å; N135-G137 VanDerWaalsContact C-N 3.32Å; N135-G137 PolarHBondContact O-N 3.4Å; N135-I138 PolarHBondContact O-N 3.41Å; N135-E139 WeakPolarHBondContact O-CB 3.15Å; N135-E139 PolarHBondContact O-N 2.96Å; N135-W262 HydrophobicContact CB-CE3 4.33Å; N135-W262 HydrophobicContact CB-CH2 4.16Å; N135-W262 HydrophobicContact CB-CZ3 3.88Å; N135-W262 WeakPolarHBondContact O-CZ3 3.33Å; N135-L264 WeakPolarHBondContact OD1-CD2 3.24Å
136	V	98.9	Very high	98.9	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-43.1	170	168.2	0	0	0	0	111.2	I14 L17 L132 F134 E139 V140 A171 K175 W262	I14-V136 HydrophobicContact CB-CG1 4.29Å; I14-V136 HydrophobicContact CG1-CG1 4.05Å; I14-V136 HydrophobicContact CG2-CG1 4.1Å; L17-V136 HydrophobicContact CB-CG2 4.2Å; L17-V136 HydrophobicContact CD1-CG2 3.87Å; L132-V136 HydrophobicContact CD1-CG2 4.31Å; L132-V136 VanDerWaalsContact O-CG2 3.27Å; L132-V136 WeakPolarHBondContact O-CG2 3.43Å; L132-V136 PolarHBondContact O-N 2.96Å; F134-V136 VanDerWaalsContact C-N 3.32Å; F134-V136 PolarHBondContact O-N 3.03Å; V136-E139 PolarHBondContact O-N 3.04Å; V136-V140 WeakPolarHBondContact O-CG2 3.42Å; V136-V140 PolarHBondContact O-N 3.27Å; V136-A171 HydrophobicContact CG1-CB 4.3Å; V136-K175 HydrophobicContact CG1-CB 4.42Å; V136-K175 HydrophobicContact CG2-CG 4.33Å; V136-W262 HydrophobicContact CG2-CH2 4.21Å
137	G	98.9	Very high	98.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-45.3	175.3	0	0	0	0	0	113.4	A133 F134 N135 Q141 G168 T172	A133-G137 PolarHBondContact O-N 3.39Å; A133-G137 VanDerWaalsContact O-N 3.15Å; F134-G137 WeakPolarHBondContact O-CA 3.07Å; F134-G137 PolarHBondContact O-N 3.05Å; N135-G137 VanDerWaalsContact C-N 3.32Å; N135-G137 PolarHBondContact O-N 3.4Å; G137-Q141 VanDerWaalsContact O-CG 3.31Å; G137-Q141 WeakPolarHBondContact O-CG 3.26Å; G137-Q141 PolarHBondContact O-N 3.48Å; G137-Q141 PolarHBondContact O-NE2 2.91Å; G137-G168 WeakPolarHBondContact CA-O 3.15Å; G137-T172 WeakPolarHBondContact CA-OG1 3.47Å
138	I	98.9	Very high	98.8	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-63	-46.6	176.8	-59	-59.4	0	0	0	110.8	M33 W98 P104 V108 F134 N135 V140 Q141 G142	M33-I138 HydrophobicContact CE-CD1 3.58Å; M33-I138 HydrophobicContact CE-CG1 3.9Å; M33-I138 HydrophobicContact CE-CG2 4.15Å; W98-I138 HydrophobicContact CE3-CG2 4.3Å; W98-I138 HydrophobicContact CH2-CG2 3.63Å; W98-I138 HydrophobicContact CZ2-CG2 4.16Å; W98-I138 HydrophobicContact CZ3-CG2 3.7Å; W98-I138 WeakPolarHBondContact CZ3-O 3.33Å; P104-I138 HydrophobicContact CB-CD1 3.74Å; P104-I138 HydrophobicContact CG-CD1 4.27Å; V108-I138 HydrophobicContact CG2-CD1 4.33Å; F134-I138 HydrophobicContact CD1-CG1 3.89Å; F134-I138 HydrophobicContact CE1-CD1 3.97Å; F134-I138 HydrophobicContact CE1-CG1 3.58Å; F134-I138 HydrophobicContact CE2-CD1 4.47Å; F134-I138 HydrophobicContact CZ-CD1 3.9Å; F134-I138 HydrophobicContact CZ-CG1 4.04Å; F134-I138 WeakPolarHBondContact O-CG1 3.5Å; F134-I138 PolarHBondContact O-N 3.45Å; N135-I138 PolarHBondContact O-N 3.41Å; I138-V140 PolarHBondContact O-N 3.15Å; I138-Q141 WeakPolarHBondContact O-CB 3.25Å; I138-Q141 PolarHBondContact O-N 2.96Å; I138-G142 PolarHBondContact O-N 3.23Å
139	E	98.9	Very high	98.7	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-45.4	-178	-179.2	63.2	-163.8	0	0	112.1	N135 V136 Q141 G142 R143 Y260 W262 L263	N135-E139 WeakPolarHBondContact O-CB 3.15Å; N135-E139 PolarHBondContact O-N 2.96Å; V136-E139 PolarHBondContact O-N 3.04Å; E139-Q141 VanDerWaalsContact C-N 3.3Å; E139-Q141 PolarHBondContact O-N 2.87Å; E139-G142 PolarHBondContact O-N 3.19Å; E139-R143 HydrophobicContact CG-CG 4.45Å; E139-R143 WeakPolarHBondContact O-CB 3.3Å; E139-R143 WeakPolarHBondContact O-CG 3.48Å; E139-R143 PolarHBondContact O-N 3.5Å; E139-R143 IonicContact OE1-CZ 3.63Å; E139-R143 IonicContact OE1-NE 2.76Å; E139-R143 PolarHBondContact OE1-NE 2.64Å; E139-R143 IonicContact OE1-NH2 2.94Å; E139-R143 PolarHBondContact OE1-NH2 3.48Å; E139-Y260 HydrophobicContact CG-CE1 3.99Å; E139-Y260 WeakPolarHBondContact CG-OH 3.17Å; E139-Y260 PolarHBondContact OE1-OH 2.82Å; E139-Y260 VanDerWaalsContact OE1-OH 3.12Å; E139-W262 HydrophobicContact CB-CE3 3.79Å; E139-W262 HydrophobicContact CB-CZ3 3.77Å; E139-W262 HydrophobicContact CG-CE3 3.87Å; E139-W262 HydrophobicContact CG-CZ3 4.04Å; E139-L263 PolarHBondContact OE2-N 3.13Å
140	V	98.9	Very high	98.5	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.024	9%	0.091	C	C	.	.	H	α-helix	trans	-58.4	-44.3	175.7	167	0	0	0	0	110.7	F10 I14 V136 I138 R143 L144 L167 A171	F10-V140 HydrophobicContact CD1-CG1 4.16Å; F10-V140 HydrophobicContact CD1-CG2 4.28Å; F10-V140 HydrophobicContact CE1-CG1 4.23Å; I14-V140 HydrophobicContact CD1-CG2 3.96Å; I14-V140 HydrophobicContact CG1-CG2 3.8Å; V136-V140 WeakPolarHBondContact O-CG2 3.42Å; V136-V140 PolarHBondContact O-N 3.27Å; I138-V140 PolarHBondContact O-N 3.15Å; V140-R143 PolarHBondContact O-N 2.62Å; V140-L144 HydrophobicContact CG1-CD1 3.81Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 WeakPolarHBondContact O-CB 3.47Å; V140-L144 WeakPolarHBondContact O-CG 3.49Å; V140-L144 PolarHBondContact O-N 2.82Å; V140-L144 VanDerWaalsContact O-N 3.08Å; V140-L167 HydrophobicContact CG1-CB 4.46Å; V140-A171 HydrophobicContact CB-CB 4.08Å; V140-A171 HydrophobicContact CG1-CB 4.19Å; V140-A171 HydrophobicContact CG2-CB 3.72Å
141	Q	98.9	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.4	-51	177.6	-69.2	178.5	71.1	0	0	112	P104 V108 G137 I138 E139 R143 L144 L145 V164	P104-Q141 PolarHBondContact O-NE2 3.4Å; V108-Q141 VanDerWaalsContact CG2-NE2 3.29Å; G137-Q141 VanDerWaalsContact O-CG 3.31Å; G137-Q141 WeakPolarHBondContact O-CG 3.26Å; G137-Q141 PolarHBondContact O-N 3.48Å; G137-Q141 PolarHBondContact O-NE2 2.91Å; I138-Q141 WeakPolarHBondContact O-CB 3.25Å; I138-Q141 PolarHBondContact O-N 2.96Å; E139-Q141 VanDerWaalsContact C-N 3.3Å; E139-Q141 PolarHBondContact O-N 2.87Å; Q141-R143 VanDerWaalsContact C-N 3.34Å; Q141-R143 PolarHBondContact O-N 3.48Å; Q141-L144 PolarHBondContact O-N 3.38Å; Q141-L145 WeakPolarHBondContact O-CG 3.29Å; Q141-L145 PolarHBondContact O-N 2.47Å; Q141-V164 HydrophobicContact CB-CB 4.23Å; Q141-V164 HydrophobicContact CB-CG2 4.16Å; Q141-V164 HydrophobicContact CG-CB 4.3Å; Q141-V164 HydrophobicContact CG-CG2 4.34Å; Q141-V164 WeakPolarHBondContact CG-O 3.37Å
142	G	98.8	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-42.8	-178.6	0	0	0	0	0	112.4	W98 I138 E139 L144 L145 H146	W98-G142 VanDerWaalsContact CZ3-CA 3.46Å; I138-G142 PolarHBondContact O-N 3.23Å; E139-G142 PolarHBondContact O-N 3.19Å; G142-L144 PolarHBondContact O-N 2.98Å; G142-L145 WeakPolarHBondContact O-CB 3.45Å; G142-L145 PolarHBondContact O-N 3.32Å; G142-H146 PolarHBondContact O-CD2 3.43Å; G142-H146 PolarHBondContact O-N 3.07Å; G142-H146 VanDerWaalsContact O-N 3.12Å
143	R	98.8	Very high	98.2	Very high	45 Å²	45	26.9 Å²	26.9	17%	0.17	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-41	179.3	-67.3	-69.8	-178.2	-169	-4.2	112.4	F10 E139 V140 Q141 H146 F147 L254 S261 L263	F10-R143 HydrophobicContact CE1-CB 3.96Å; F10-R143 HydrophobicContact CZ-CB 3.69Å; E139-R143 HydrophobicContact CG-CG 4.45Å; E139-R143 WeakPolarHBondContact O-CB 3.3Å; E139-R143 WeakPolarHBondContact O-CG 3.48Å; E139-R143 PolarHBondContact O-N 3.5Å; E139-R143 IonicContact OE1-CZ 3.63Å; E139-R143 IonicContact OE1-NE 2.76Å; E139-R143 PolarHBondContact OE1-NE 2.64Å; E139-R143 IonicContact OE1-NH2 2.94Å; E139-R143 PolarHBondContact OE1-NH2 3.48Å; V140-R143 PolarHBondContact O-N 2.62Å; Q141-R143 VanDerWaalsContact C-N 3.34Å; Q141-R143 PolarHBondContact O-N 3.48Å; R143-H146 PolarHBondContact O-N 3.24Å; R143-F147 WeakPolarHBondContact O-CD1 3.47Å; R143-L254 HydrophobicContact CB-CD2 3.66Å; R143-L254 HydrophobicContact CG-CD2 3.49Å; R143-L254 VanDerWaalsContact CG-CD2 3.49Å; R143-S261 PolarHBondContact NH2-O 3.47Å; R143-L263 HydrophobicContact CG-CD1 3.87Å
144	L	98.8	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-39.8	175.5	-68.3	170.5	0	0	0	111.8	F10 V140 Q141 G142 H146 F147 V164 L167 L236 F242	F10-L144 HydrophobicContact CD1-CD2 4.46Å; F10-L144 HydrophobicContact CE1-CD2 3.73Å; F10-L144 HydrophobicContact CE1-CG 3.79Å; F10-L144 HydrophobicContact CZ-CD2 3.85Å; F10-L144 HydrophobicContact CZ-CG 4.19Å; V140-L144 HydrophobicContact CG1-CD1 3.81Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 WeakPolarHBondContact O-CB 3.47Å; V140-L144 WeakPolarHBondContact O-CG 3.49Å; V140-L144 PolarHBondContact O-N 2.82Å; V140-L144 VanDerWaalsContact O-N 3.08Å; Q141-L144 PolarHBondContact O-N 3.38Å; G142-L144 PolarHBondContact O-N 2.98Å; L144-H146 PolarHBondContact O-N 3.27Å; L144-F147 HydrophobicContact CD2-CD2 4.08Å; L144-F147 HydrophobicContact CD2-CE2 3.69Å; L144-F147 HydrophobicContact CD2-CZ 4.39Å; L144-F147 VanDerWaalsContact O-CB 3.23Å; L144-F147 WeakPolarHBondContact O-CB 3.39Å; L144-F147 WeakPolarHBondContact O-CG 3.35Å; L144-F147 PolarHBondContact O-N 3.33Å; L144-F147 VanDerWaalsContact O-N 3.08Å; L144-V164 HydrophobicContact CB-CB 4.46Å; L144-V164 HydrophobicContact CB-CG1 3.71Å; L144-V164 HydrophobicContact CD1-CG1 4.42Å; L144-L167 HydrophobicContact CD1-CB 3.67Å; L144-L167 HydrophobicContact CD1-CD2 3.59Å; L144-L167 HydrophobicContact CD1-CG 4.23Å; L144-L167 HydrophobicContact CD2-CD2 4.42Å; L144-L236 HydrophobicContact CD2-CD1 3.99Å; L144-L236 HydrophobicContact CD2-CD2 4.01Å; L144-F242 HydrophobicContact CB-CE1 3.93Å; L144-F242 HydrophobicContact CB-CZ 4.16Å; L144-F242 HydrophobicContact CD1-CE1 4.35Å; L144-F242 HydrophobicContact CD1-CZ 4.09Å; L144-F242 HydrophobicContact CD2-CD1 4.15Å; L144-F242 HydrophobicContact CD2-CE1 3.73Å; L144-F242 HydrophobicContact CD2-CZ 4.29Å; L144-F242 HydrophobicContact CG-CE1 4.2Å; L144-F242 HydrophobicContact CG-CZ 4.41Å
145	L	98.8	Very high	97.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-34.5	175	-71.6	167	0	0	0	112.1	P100 T102 Q141 G142 F147 A148 A151 P160 V164	P100-L145 HydrophobicContact CB-CB 3.82Å; P100-L145 HydrophobicContact CB-CD1 4.23Å; P100-L145 HydrophobicContact CB-CG 4.43Å; P100-L145 HydrophobicContact CG-CB 3.74Å; P100-L145 WeakPolarHBondContact O-CD1 3.3Å; T102-L145 HydrophobicContact CG2-CD1 3.63Å; Q141-L145 WeakPolarHBondContact O-CG 3.29Å; Q141-L145 PolarHBondContact O-N 2.47Å; G142-L145 WeakPolarHBondContact O-CB 3.45Å; G142-L145 PolarHBondContact O-N 3.32Å; L145-F147 PolarHBondContact O-N 2.97Å; L145-F147 VanDerWaalsContact O-N 3.15Å; L145-A148 PolarHBondContact O-N 2.68Å; L145-A151 HydrophobicContact CB-CB 4.3Å; L145-A151 HydrophobicContact CD2-CB 3.99Å; L145-A151 VanDerWaalsContact O-CB 3.28Å; L145-A151 WeakPolarHBondContact O-CB 3.38Å; L145-P160 HydrophobicContact CD2-CB 4.23Å; L145-V164 HydrophobicContact CD1-CG2 4.24Å; L145-V164 HydrophobicContact CD2-CG1 3.96Å; L145-V164 HydrophobicContact CD2-CG2 3.92Å; L145-V164 HydrophobicContact CG-CB 4.45Å; L145-V164 HydrophobicContact CG-CG1 3.99Å; L145-V164 HydrophobicContact CG-CG2 3.95Å
146	H	98.6	Very high	97.3	Very high	86 Å²	86	37.4 Å²	37.4	40%	0.398	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-3.8	176.8	-85.2	-71.6	0	0	0	114.6	G142 R143 L144 A148	G142-H146 PolarHBondContact O-CD2 3.43Å; G142-H146 PolarHBondContact O-N 3.07Å; G142-H146 VanDerWaalsContact O-N 3.12Å; R143-H146 PolarHBondContact O-N 3.24Å; L144-H146 PolarHBondContact O-N 3.27Å; H146-A148 VanDerWaalsContact C-N 3.25Å; H146-A148 PolarHBondContact O-N 3.14Å
147	F	98.6	Very high	97.1	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.026	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-14	174.9	-67.1	-7.6	0	0	0	113.4	I6 F10 R143 L144 L145 Y249 S250 P251 K252	I6-F147 HydrophobicContact CG2-CE2 4.13Å; I6-F147 HydrophobicContact CG2-CZ 3.62Å; F10-F147 HydrophobicContact CE2-CE1 4.23Å; F10-F147 HydrophobicContact CE2-CE2 4.29Å; F10-F147 AromaticContact CE2-CZ 3.49Å; F10-F147 HydrophobicContact CE2-CZ 3.49Å; F10-F147 VanDerWaalsContact CE2-CZ 3.49Å; F10-F147 HydrophobicContact CZ-CE1 4.21Å; F10-F147 HydrophobicContact CZ-CE2 4.24Å; F10-F147 AromaticContact CZ-CZ 3.62Å; F10-F147 HydrophobicContact CZ-CZ 3.62Å; R143-F147 WeakPolarHBondContact O-CD1 3.47Å; L144-F147 HydrophobicContact CD2-CD2 4.08Å; L144-F147 HydrophobicContact CD2-CE2 3.69Å; L144-F147 HydrophobicContact CD2-CZ 4.39Å; L144-F147 VanDerWaalsContact O-CB 3.23Å; L144-F147 WeakPolarHBondContact O-CB 3.39Å; L144-F147 WeakPolarHBondContact O-CG 3.35Å; L144-F147 PolarHBondContact O-N 3.33Å; L144-F147 VanDerWaalsContact O-N 3.08Å; L145-F147 PolarHBondContact O-N 2.97Å; L145-F147 VanDerWaalsContact O-N 3.15Å; F147-Y249 HydrophobicContact CB-CD2 4.06Å; F147-Y249 HydrophobicContact CB-CE2 3.69Å; F147-Y249 AromaticContact CD2-CE2 3.61Å; F147-Y249 HydrophobicContact CD2-CE2 3.61Å; F147-Y249 AromaticContact CD2-CZ 3.68Å; F147-Y249 WeakPolarHBondContact CD2-OH 3.31Å; F147-Y249 WeakPolarHBondContact CE2-OH 3.47Å; F147-Y249 HydrophobicContact CG-CE2 4.14Å; F147-S250 CarbonylContact O-C 3.49Å; F147-S250 VanDerWaalsContact O-CA 3.32Å; F147-S250 WeakPolarHBondContact O-CA 3.45Å; F147-S250 WeakPolarHBondContact O-CB 3.47Å; F147-S250 PolarHBondContact O-N 3.33Å; F147-P251 HydrophobicContact CD1-CB 4.24Å; F147-P251 HydrophobicContact CD2-CB 3.69Å; F147-P251 HydrophobicContact CE1-CB 4.25Å; F147-P251 HydrophobicContact CE2-CB 3.67Å; F147-P251 HydrophobicContact CG-CB 3.94Å; F147-P251 HydrophobicContact CZ-CB 3.93Å; F147-K252 HydrophobicContact CE1-CB 4.44Å; F147-K252 VanDerWaalsContact CE1-O 3.25Å; F147-K252 WeakPolarHBondContact CE1-O 3.2Å; F147-K252 WeakPolarHBondContact CZ-O 3.19Å
148	A	97.5	Very high	97.1	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	21%	0.208	C	C	.	.			trans	-140.3	138.4	174.6	0	0	0	0	0	111.2	L145 H146 E150 A151 Y246 N248	L145-A148 PolarHBondContact O-N 2.68Å; H146-A148 VanDerWaalsContact C-N 3.25Å; H146-A148 PolarHBondContact O-N 3.14Å; A148-E150 HydrophobicContact CB-CG 3.85Å; A148-E150 PolarHBondContact O-N 3.34Å; A148-A151 PolarHBondContact O-N 3.22Å; A148-Y246 HydrophobicContact CB-CD1 3.32Å; A148-Y246 HydrophobicContact CB-CE1 3.96Å; A148-Y246 HydrophobicContact CB-CG 3.95Å; A148-N248 WeakPolarHBondContact CB-O 3.37Å
149	K	96.4	Very high	97.1	Very high	185 Å²	185	46.9 Å²	46.9	80%	0.804	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-63	-33.3	176.3	-68.6	-177.4	-178.3	177.2	0	111.8	A151 K152	K149-A151 PolarHBondContact O-N 2.91Å; K149-K152 WeakPolarHBondContact O-CB 3.31Å; K149-K152 PolarHBondContact O-N 2.99Å
150	E	96	Very high	97.1	Very high	68 Å²	68	47.5 Å²	47.5	32%	0.318	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-60	-25.1	-179.9	71.6	-166.6	-136.9	0	0	113.7	A148 K152 D153 Y246 A247 N248	A148-E150 HydrophobicContact CB-CG 3.85Å; A148-E150 PolarHBondContact O-N 3.34Å; E150-K152 PolarHBondContact O-N 3.21Å; E150-D153 PolarHBondContact O-N 3.33Å; E150-D153 VanDerWaalsContact O-N 3.12Å; E150-Y246 HydrophobicContact CG-CD1 4.38Å; E150-Y246 WeakPolarHBondContact OE1-CA 3.34Å; E150-A247 PolarHBondContact OE1-N 3.19Å; E150-A247 WeakPolarHBondContact OE2-CA 3.35Å; E150-A247 WeakPolarHBondContact OE2-CB 3.2Å; E150-A247 PolarHBondContact OE2-N 2.96Å; E150-A247 VanDerWaalsContact OE2-N 3.14Å; E150-N248 PolarHBondContact OE2-N 2.54Å
151	A	97.2	Very high	97.1	Very high	10 Å²	10	47.4 Å²	47.4	8%	0.083	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-69.5	-19.1	178.1	0	0	0	0	0	112.9	P100 A101 L145 A148 K149 Y246	P100-A151 HydrophobicContact CB-CB 4.08Å; P100-A151 WeakPolarHBondContact CB-O 3.46Å; A101-A151 PolarHBondContact N-O 2.93Å; L145-A151 HydrophobicContact CB-CB 4.3Å; L145-A151 HydrophobicContact CD2-CB 3.99Å; L145-A151 VanDerWaalsContact O-CB 3.28Å; L145-A151 WeakPolarHBondContact O-CB 3.38Å; A148-A151 PolarHBondContact O-N 3.22Å; K149-A151 PolarHBondContact O-N 2.91Å; A151-Y246 HydrophobicContact CB-CE1 4.26Å
152	K	96.6	Very high	97.1	Very high	86 Å²	86	47.7 Å²	47.7	37%	0.374	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-72.6	-23.6	173.7	-66	-175.6	176.8	-170.6	0	112.1	P100 K149 E150 S380	P100-K152 HydrophobicContact CB-CG 4.16Å; P100-K152 HydrophobicContact CG-CG 4.09Å; K149-K152 WeakPolarHBondContact O-CB 3.31Å; K149-K152 PolarHBondContact O-N 2.99Å; E150-K152 PolarHBondContact O-N 3.21Å; K152-S380 WeakPolarHBondContact O-CB 3.48Å; K152-S380 PolarHBondContact O-OG 3.23Å
153	D	96.6	Very high	97.1	Very high	60 Å²	60	48 Å²	48	32%	0.321	22%	0.217	S	C	.	.	S	Bend	trans	-91.8	166.2	173.8	-61	-24.1	0	0	0	109.7	E150 P379	E150-D153 PolarHBondContact O-N 3.33Å; E150-D153 VanDerWaalsContact O-N 3.12Å; D153-P379 CarbonylContact C-O 3.59Å; D153-P379 VanDerWaalsContact CA-O 3.29Å; D153-P379 WeakPolarHBondContact CA-O 3.35Å; D153-P379 HydrophobicContact CB-CG 4.5Å
154	I	93.6	Very high	97.1	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.051	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-67.6	132.1	176.2	-70.4	162.4	0	0	0	109.4	C279 V316 Y318 P379 F381 L384	I154-C279 WeakPolarHBondContact CD1-SG 3.38Å; I154-V316 HydrophobicContact CD1-CB 4.5Å; I154-V316 HydrophobicContact CD1-CG1 4.24Å; I154-V316 HydrophobicContact CD1-CG2 3.45Å; I154-V316 VanDerWaalsContact CD1-CG2 3.45Å; I154-V316 HydrophobicContact CG2-CG1 3.68Å; I154-V316 HydrophobicContact CG2-CG2 4.47Å; I154-Y318 HydrophobicContact CG2-CE1 3.4Å; I154-Y318 VanDerWaalsContact CG2-OH 3.23Å; I154-Y318 WeakPolarHBondContact CG2-OH 3.44Å; I154-P379 HydrophobicContact CD1-CB 4.35Å; I154-P379 VanDerWaalsContact CG1-O 3.32Å; I154-P379 WeakPolarHBondContact CG1-O 3.46Å; I154-P379 PolarHBondContact N-O 2.83Å; I154-F381 HydrophobicContact CD1-CD1 4.49Å; I154-F381 HydrophobicContact CD1-CE1 4.09Å; I154-F381 HydrophobicContact CD1-CZ 4.44Å; I154-F381 HydrophobicContact CG1-CE1 4.19Å; I154-F381 HydrophobicContact CG1-CE2 4.47Å; I154-F381 HydrophobicContact CG1-CZ 4.09Å; I154-L384 HydrophobicContact CD1-CD2 4.27Å
155	P	93.6	Very high	97.1	Very high	24 Å²	24	45.8 Å²	45.8	16%	0.156	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-63.7	146	-169	25.7	-39	0	0	0	114	F158 P160 M199	P155-F158 WeakPolarHBondContact CB-O 3.4Å; P155-P160 HydrophobicContact CB-CG 3.87Å; P155-P160 HydrophobicContact CG-CG 3.92Å; P155-M199 HydrophobicContact CB-CE 4.5Å; P155-M199 HydrophobicContact CB-CG 4.13Å; P155-M199 HydrophobicContact CB-SD 3.94Å; P155-M199 HydrophobicContact CG-CE 3.83Å; P155-M199 HydrophobicContact CG-CG 4.41Å; P155-M199 HydrophobicContact CG-SD 3.62Å
156	K	89.6	Confident	97.1	Very high	188 Å²	188	45.9 Å²	45.9	82%	0.817	21%	0.209	S	C	*	.	S	Bend	trans	-112.4	-26.8	178.7	-63.7	179.4	-177.5	174.8	0	114.5
157	R	95.2	Very high	97.1	Very high	156 Å²	156	41.8 Å²	41.8	59%	0.589	19%	0.19	S	C	*	.	S	Bend	trans	-116.8	-68	-172	-173.5	-178.5	176.2	-161.1	-4.4	112.6	P198 M199 A244	R157-P198 WeakPolarHBondContact O-CA 3.33Å; R157-M199 PolarHBondContact O-N 3.45Å; R157-A244 PolarHBondContact NH1-O 2.89Å
158	F	98.4	Very high	97.1	Very high	40 Å²	40	41.5 Å²	41.5	18%	0.175	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-104.7	147.7	178.2	-67.6	-76.4	0	0	0	111.1	P155 P160 V163 A197 F245	P155-F158 WeakPolarHBondContact CB-O 3.4Å; F158-P160 WeakPolarHBondContact O-CD 3.28Å; F158-V163 HydrophobicContact CB-CG2 3.83Å; F158-V163 HydrophobicContact CG-CG2 4.49Å; F158-A197 CarbonylContact C-O 3.26Å; F158-A197 WeakPolarHBondContact CA-O 3.44Å; F158-F245 HydrophobicContact CD1-CD1 4.35Å; F158-F245 HydrophobicContact CD2-CB 4.17Å; F158-F245 HydrophobicContact CD2-CD1 4.06Å; F158-F245 WeakPolarHBondContact CD2-O 3.39Å; F158-F245 HydrophobicContact CE1-CD1 4.22Å; F158-F245 HydrophobicContact CE2-CB 4.49Å; F158-F245 AromaticContact CE2-CD1 3.89Å; F158-F245 HydrophobicContact CE2-CD1 3.89Å; F158-F245 HydrophobicContact CG-CD1 4.28Å; F158-F245 AromaticContact CZ-CD1 3.98Å; F158-F245 HydrophobicContact CZ-CD1 3.98Å; F158-F245 HydrophobicContact CZ-CE1 4.5Å
159	H	98.6	Very high	97.2	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.032	19%	0.187	C	C	.	.			trans	-78.1	114.1	175.2	-173.7	-133.7	0	0	0	109.7	H90 P161 S162 A197 M199 H210	H90-H159 AromaticContact NE2-CE1 3.72Å; H159-P161 VanDerWaalsContact C-CD 3.45Å; H159-P161 VanDerWaalsContact CE1-CG 3.49Å; H159-P161 WeakPolarHBondContact CE1-CG 3.21Å; H159-S162 WeakPolarHBondContact O-CB 3.41Å; H159-S162 PolarHBondContact O-N 2.82Å; H159-S162 PolarHBondContact O-OG 3.36Å; H159-A197 PolarHBondContact N-O 3.5Å; H159-M199 HydrophobicContact CB-SD 3.86Å; H159-H210 AromaticContact CE1-ND1 3.9Å; H159-H210 AromaticContact CG-ND1 3.56Å; H159-H210 WeakPolarHBondContact ND1-CB 2.99Å; H159-H210 AromaticContact ND1-CG 3.61Å; H159-H210 AromaticContact ND1-ND1 3Å; H159-H210 PolarHBondContact ND1-ND1 3.02Å
160	P	98.8	Very high	97.3	Very high	17 Å²	17	32.4 Å²	32.4	11%	0.11	15%	0.149	C	C	.	.	H	α-helix	trans	-53.3	-39.7	-171.2	-27	34.8	0	0	0	115.2	A101 L145 P155 F158 S162 V163 V164	A101-P160 VanDerWaalsContact O-CB 3.23Å; A101-P160 WeakPolarHBondContact O-CB 3.47Å; A101-P160 WeakPolarHBondContact O-CG 3.47Å; L145-P160 HydrophobicContact CD2-CB 4.23Å; P155-P160 HydrophobicContact CB-CG 3.87Å; P155-P160 HydrophobicContact CG-CG 3.92Å; F158-P160 WeakPolarHBondContact O-CD 3.28Å; P160-S162 PolarHBondContact O-N 2.99Å; P160-V163 CarbonylContact O-C 3.47Å; P160-V163 WeakPolarHBondContact O-CA 3.42Å; P160-V163 PolarHBondContact O-N 3.29Å; P160-V164 WeakPolarHBondContact O-CG2 3.34Å; P160-V164 PolarHBondContact O-N 3.19Å
161	P	98.8	Very high	97.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	13%	0.134	C	C	.	.	I	π-helix	trans	-58.5	-32.9	176.8	-26.5	34.4	0	0	0	114.7	H103 H159 V163 G165 I211 A214	H103-P161 HydrophobicContact CB-CG 4.1Å; H159-P161 VanDerWaalsContact C-CD 3.45Å; H159-P161 VanDerWaalsContact CE1-CG 3.49Å; H159-P161 WeakPolarHBondContact CE1-CG 3.21Å; P161-V163 VanDerWaalsContact C-N 3.27Å; P161-V163 PolarHBondContact O-N 3.29Å; P161-G165 WeakPolarHBondContact O-CA 3.43Å; P161-G165 PolarHBondContact O-N 2.91Å; P161-I211 HydrophobicContact CB-CD1 3.51Å; P161-I211 HydrophobicContact CB-CG1 4.13Å; P161-I211 HydrophobicContact CG-CD1 4.3Å; P161-A214 WeakPolarHBondContact O-CB 3.44Å
162	S	98.9	Very high	97.5	Very high	7 Å²	7	28.7 Å²	28.7	5%	0.049	13%	0.13	C	C	.	.	I	π-helix	trans	-74.6	-18.7	175.9	71	0	0	0	0	113.5	H159 P160 T166 A195 G196 A197	H159-S162 WeakPolarHBondContact O-CB 3.41Å; H159-S162 PolarHBondContact O-N 2.82Å; H159-S162 PolarHBondContact O-OG 3.36Å; P160-S162 PolarHBondContact O-N 2.99Å; S162-T166 PolarHBondContact O-OG1 2.84Å; S162-A195 WeakPolarHBondContact O-CA 3.23Å; S162-G196 PolarHBondContact O-N 2.98Å; S162-A197 WeakPolarHBondContact OG-CB 3.4Å; S162-A197 PolarHBondContact OG-N 3.35Å
163	V	98.9	Very high	97.6	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.03	11%	0.112	C	C	.	.	I	π-helix	trans	-93.8	-69.9	-179	178.7	0	0	0	0	108.8	F158 P160 P161 L167 F242 F245 Y246	F158-V163 HydrophobicContact CB-CG2 3.83Å; F158-V163 HydrophobicContact CG-CG2 4.49Å; P160-V163 CarbonylContact O-C 3.47Å; P160-V163 WeakPolarHBondContact O-CA 3.42Å; P160-V163 PolarHBondContact O-N 3.29Å; P161-V163 VanDerWaalsContact C-N 3.27Å; P161-V163 PolarHBondContact O-N 3.29Å; V163-L167 VanDerWaalsContact O-CD1 3.32Å; V163-L167 WeakPolarHBondContact O-CD1 3.48Å; V163-F242 HydrophobicContact CG1-CD2 4.5Å; V163-F242 HydrophobicContact CG1-CE2 3.46Å; V163-F242 VanDerWaalsContact CG1-CE2 3.46Å; V163-F242 HydrophobicContact CG1-CZ 3.57Å; V163-F245 HydrophobicContact CG1-CB 3.88Å; V163-F245 HydrophobicContact CG1-CD2 3.86Å; V163-F245 HydrophobicContact CG1-CG 3.98Å; V163-F245 HydrophobicContact CG2-CB 4.23Å; V163-F245 HydrophobicContact CG2-CD1 4.43Å; V163-F245 HydrophobicContact CG2-CG 4.23Å; V163-Y246 HydrophobicContact CG1-CE2 4.4Å
164	V	98.9	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-78.2	-35	-175.6	-63	0	0	0	0	112.1	Q141 L144 L145 P160 T166 L167 G168 F242 Y246	Q141-V164 HydrophobicContact CB-CB 4.23Å; Q141-V164 HydrophobicContact CB-CG2 4.16Å; Q141-V164 HydrophobicContact CG-CB 4.3Å; Q141-V164 HydrophobicContact CG-CG2 4.34Å; Q141-V164 WeakPolarHBondContact CG-O 3.37Å; L144-V164 HydrophobicContact CB-CB 4.46Å; L144-V164 HydrophobicContact CB-CG1 3.71Å; L144-V164 HydrophobicContact CD1-CG1 4.42Å; L145-V164 HydrophobicContact CD1-CG2 4.24Å; L145-V164 HydrophobicContact CD2-CG1 3.96Å; L145-V164 HydrophobicContact CD2-CG2 3.92Å; L145-V164 HydrophobicContact CG-CB 4.45Å; L145-V164 HydrophobicContact CG-CG1 3.99Å; L145-V164 HydrophobicContact CG-CG2 3.95Å; P160-V164 WeakPolarHBondContact O-CG2 3.34Å; P160-V164 PolarHBondContact O-N 3.19Å; V164-T166 VanDerWaalsContact C-N 3.28Å; V164-T166 PolarHBondContact O-N 3.47Å; V164-L167 PolarHBondContact O-N 2.66Å; V164-L167 VanDerWaalsContact O-N 3.14Å; V164-G168 PolarHBondContact O-N 3.17Å; V164-F242 HydrophobicContact CG1-CZ 4.03Å; V164-Y246 WeakPolarHBondContact CG1-OH 3.37Å
165	G	98.9	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-62.1	-35.5	180	0	0	0	0	0	112.5	P161 L167 G168 S169	P161-G165 WeakPolarHBondContact O-CA 3.43Å; P161-G165 PolarHBondContact O-N 2.91Å; G165-L167 PolarHBondContact O-N 3.39Å; G165-G168 PolarHBondContact O-N 3.4Å; G165-S169 WeakPolarHBondContact O-CB 3.12Å; G165-S169 PolarHBondContact O-N 3.42Å
166	T	99	Very high	98.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-61.2	-43.2	174.8	-53.6	0	0	0	0	111.7	S162 V164 A170 A191 H194 A195 A214 H217	S162-T166 PolarHBondContact O-OG1 2.84Å; V164-T166 VanDerWaalsContact C-N 3.28Å; V164-T166 PolarHBondContact O-N 3.47Å; T166-A170 PolarHBondContact O-N 2.87Å; T166-A191 HydrophobicContact CG2-CB 4.3Å; T166-H194 HydrophobicContact CG2-CB 4.44Å; T166-A195 HydrophobicContact CG2-CB 4.27Å; T166-A214 WeakPolarHBondContact OG1-CA 3.49Å; T166-H217 HydrophobicContact CG2-CB 3.96Å
167	L	98.9	Very high	98.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-73.6	-33.8	176	-80	76.6	0	0	0	112	V140 L144 V163 V164 G165 A170 A171 L188 A191 V192 A195 L236 F242	V140-L167 HydrophobicContact CG1-CB 4.46Å; L144-L167 HydrophobicContact CD1-CB 3.67Å; L144-L167 HydrophobicContact CD1-CD2 3.59Å; L144-L167 HydrophobicContact CD1-CG 4.23Å; L144-L167 HydrophobicContact CD2-CD2 4.42Å; V163-L167 VanDerWaalsContact O-CD1 3.32Å; V163-L167 WeakPolarHBondContact O-CD1 3.48Å; V164-L167 PolarHBondContact O-N 2.66Å; V164-L167 VanDerWaalsContact O-N 3.14Å; G165-L167 PolarHBondContact O-N 3.39Å; L167-A170 PolarHBondContact O-N 3.36Å; L167-A171 WeakPolarHBondContact O-CB 3.26Å; L167-A171 PolarHBondContact O-N 3.17Å; L167-L188 HydrophobicContact CB-CD2 4.19Å; L167-L188 HydrophobicContact CD2-CD2 4.36Å; L167-L188 HydrophobicContact CG-CD2 4.32Å; L167-A191 HydrophobicContact CD1-CB 4.43Å; L167-A191 HydrophobicContact CG-CB 4.33Å; L167-V192 HydrophobicContact CD1-CG2 4.09Å; L167-V192 HydrophobicContact CD2-CG2 3.87Å; L167-V192 HydrophobicContact CG-CG2 4.32Å; L167-A195 HydrophobicContact CD1-CB 4.24Å; L167-L236 HydrophobicContact CD2-CD2 3.76Å; L167-F242 HydrophobicContact CD1-CD2 4.25Å; L167-F242 HydrophobicContact CD1-CE2 3.79Å; L167-F242 HydrophobicContact CD2-CD2 4.1Å; L167-F242 HydrophobicContact CD2-CE2 3.95Å; L167-F242 HydrophobicContact CD2-CZ 4.39Å
168	G	98.9	Very high	98.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.5	-44.6	171.2	0	0	0	0	0	112.2	G137 V164 G165 A171 T172	G137-G168 WeakPolarHBondContact CA-O 3.15Å; V164-G168 PolarHBondContact O-N 3.17Å; G165-G168 PolarHBondContact O-N 3.4Å; G168-A171 PolarHBondContact O-N 2.68Å; G168-T172 WeakPolarHBondContact O-CB 3.37Å; G168-T172 PolarHBondContact O-N 3.48Å; G168-T172 PolarHBondContact O-OG1 2.99Å
169	S	98.9	Very high	98.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.1	-47.6	172.2	172.3	0	0	0	0	111.5	A107 V111 G165 A171 T172 A173 A214 A215 G218	A107-S169 WeakPolarHBondContact O-CB 3.32Å; V111-S169 VanDerWaalsContact CG2-OG 3.26Å; V111-S169 WeakPolarHBondContact CG2-OG 3.43Å; G165-S169 WeakPolarHBondContact O-CB 3.12Å; G165-S169 PolarHBondContact O-N 3.42Å; S169-A171 VanDerWaalsContact C-N 3.33Å; S169-A171 PolarHBondContact O-N 2.88Å; S169-T172 WeakPolarHBondContact O-CB 3.37Å; S169-T172 PolarHBondContact O-N 3.48Å; S169-T172 VanDerWaalsContact O-N 3.17Å; S169-A173 WeakPolarHBondContact O-CB 3.48Å; S169-A173 PolarHBondContact O-N 2.89Å; S169-A214 WeakPolarHBondContact CB-O 3.38Å; S169-A214 PolarHBondContact OG-O 2.89Å; S169-A215 PolarHBondContact OG-O 3.42Å; S169-G218 VanDerWaalsContact OG-CA 3.25Å; S169-G218 WeakPolarHBondContact OG-CA 3.39Å
170	A	99	Very high	98.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.8	-41.7	178.1	0	0	0	0	0	112.3	T166 L167 S174 A191 G218 A221	T166-A170 PolarHBondContact O-N 2.87Å; L167-A170 PolarHBondContact O-N 3.36Å; A170-S174 WeakPolarHBondContact O-CB 3.3Å; A170-S174 PolarHBondContact O-N 3.19Å; A170-S174 PolarHBondContact O-OG 3.03Å; A170-A191 HydrophobicContact CB-CB 3.68Å; A170-G218 WeakPolarHBondContact CA-O 3.5Å; A170-A221 HydrophobicContact CB-CB 4.49Å
171	A	98.9	Very high	98.9	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.8	-43.1	174.9	0	0	0	0	0	112	I14 V136 V140 L167 G168 S169 S174 K175	I14-A171 HydrophobicContact CD1-CB 3.63Å; I14-A171 HydrophobicContact CG1-CB 3.96Å; I14-A171 HydrophobicContact CG2-CB 4.44Å; V136-A171 HydrophobicContact CG1-CB 4.3Å; V140-A171 HydrophobicContact CB-CB 4.08Å; V140-A171 HydrophobicContact CG1-CB 4.19Å; V140-A171 HydrophobicContact CG2-CB 3.72Å; L167-A171 WeakPolarHBondContact O-CB 3.26Å; L167-A171 PolarHBondContact O-N 3.17Å; G168-A171 PolarHBondContact O-N 2.68Å; S169-A171 VanDerWaalsContact C-N 3.33Å; S169-A171 PolarHBondContact O-N 2.88Å; A171-S174 PolarHBondContact O-N 2.88Å; A171-K175 WeakPolarHBondContact O-CB 3.37Å; A171-K175 PolarHBondContact O-N 3.29Å
172	T	98.9	Very high	98.9	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.7	-52.1	177.3	-59	0	0	0	0	111.4	V108 V111 L112 G137 G168 S169 K175 F176	V108-T172 HydrophobicContact CG1-CG2 3.84Å; V108-T172 WeakPolarHBondContact CG1-OG1 3.26Å; V111-T172 HydrophobicContact CB-CG2 4.44Å; V111-T172 HydrophobicContact CG1-CG2 4.13Å; L112-T172 HydrophobicContact CD1-CG2 3.83Å; L112-T172 HydrophobicContact CD2-CG2 3.4Å; L112-T172 HydrophobicContact CG-CG2 3.37Å; G137-T172 WeakPolarHBondContact CA-OG1 3.47Å; G168-T172 WeakPolarHBondContact O-CB 3.37Å; G168-T172 PolarHBondContact O-N 3.48Å; G168-T172 PolarHBondContact O-OG1 2.99Å; S169-T172 WeakPolarHBondContact O-CB 3.37Å; S169-T172 PolarHBondContact O-N 3.48Å; S169-T172 VanDerWaalsContact O-N 3.17Å; T172-K175 WeakPolarHBondContact O-CB 3.2Å; T172-K175 PolarHBondContact O-N 3.38Å; T172-F176 PolarHBondContact O-N 3.11Å
173	A	98.9	Very high	98.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-42.6	177.7	0	0	0	0	0	111.4	V111 L115 S169 K175 F176 L177 I219 A222	V111-A173 HydrophobicContact CG1-CB 4.05Å; L115-A173 HydrophobicContact CD1-CB 3.76Å; S169-A173 WeakPolarHBondContact O-CB 3.48Å; S169-A173 PolarHBondContact O-N 2.89Å; A173-K175 VanDerWaalsContact C-N 3.27Å; A173-K175 PolarHBondContact O-N 2.95Å; A173-F176 PolarHBondContact O-N 3.41Å; A173-L177 WeakPolarHBondContact O-CB 3.5Å; A173-L177 WeakPolarHBondContact O-CG 3.43Å; A173-L177 PolarHBondContact O-N 2.91Å; A173-I219 HydrophobicContact CB-CG1 4.43Å; A173-A222 HydrophobicContact CB-CB 3.61Å
174	S	98.9	Very high	98.9	Very high	1 Å²	1	18 Å²	18	1%	0.007	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-38.2	175.5	-61	0	0	0	0	111.9	A170 A171 G178 L179 A187	A170-S174 WeakPolarHBondContact O-CB 3.3Å; A170-S174 PolarHBondContact O-N 3.19Å; A170-S174 PolarHBondContact O-OG 3.03Å; A171-S174 PolarHBondContact O-N 2.88Å; S174-G178 PolarHBondContact O-N 2.89Å; S174-G178 VanDerWaalsContact O-N 3.16Å; S174-L179 PolarHBondContact O-N 3.48Å; S174-A187 WeakPolarHBondContact OG-CB 3.4Å
175	K	98.9	Very high	98.8	Very high	30 Å²	30	19.2 Å²	19.2	13%	0.13	12%	0.119	C	C	.	.	H	α-helix	trans	-67.8	-48.3	176.5	-172.6	51.5	161.7	-162.4	0	111.9	I14 H15 L17 A133 V136 A171 T172 A173 L177 G178	I14-K175 WeakPolarHBondContact O-CD 3.34Å; I14-K175 PolarHBondContact O-NZ 3.02Å; H15-K175 PolarHBondContact O-NZ 3.21Å; L17-K175 VanDerWaalsContact O-CE 3.32Å; L17-K175 WeakPolarHBondContact O-CE 3.45Å; L17-K175 PolarHBondContact O-NZ 3.17Å; A133-K175 HydrophobicContact CB-CB 4.1Å; A133-K175 HydrophobicContact CB-CG 3.85Å; V136-K175 HydrophobicContact CG1-CB 4.42Å; V136-K175 HydrophobicContact CG2-CG 4.33Å; A171-K175 WeakPolarHBondContact O-CB 3.37Å; A171-K175 PolarHBondContact O-N 3.29Å; T172-K175 WeakPolarHBondContact O-CB 3.2Å; T172-K175 PolarHBondContact O-N 3.38Å; A173-K175 VanDerWaalsContact C-N 3.27Å; A173-K175 PolarHBondContact O-N 2.95Å; K175-L177 VanDerWaalsContact C-N 3.33Å; K175-L177 PolarHBondContact O-N 3.4Å; K175-G178 PolarHBondContact O-N 3.49Å; K175-G178 VanDerWaalsContact O-N 3.12Å
176	F	98.9	Very high	98.8	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.013	12%	0.121	C	C	.	.	H	α-helix	trans	-56.1	-46.5	175.9	174.6	-86.6	0	0	0	111.8	L112 L115 A116 L119 R121 F125 T172 A173 G178	L112-F176 HydrophobicContact CD2-CB 4.21Å; L112-F176 HydrophobicContact CD2-CD2 4.35Å; L115-F176 VanDerWaalsContact C-CZ 3.45Å; L115-F176 HydrophobicContact CB-CD1 3.68Å; L115-F176 HydrophobicContact CB-CD2 4.25Å; L115-F176 HydrophobicContact CB-CE1 3.63Å; L115-F176 HydrophobicContact CB-CE2 4.2Å; L115-F176 HydrophobicContact CB-CG 4.02Å; L115-F176 HydrophobicContact CB-CZ 3.9Å; L115-F176 HydrophobicContact CD1-CB 4.25Å; L115-F176 HydrophobicContact CD1-CD1 3.9Å; L115-F176 HydrophobicContact CD1-CG 4.13Å; L115-F176 HydrophobicContact CG-CD1 4.34Å; L115-F176 WeakPolarHBondContact O-CZ 3.42Å; A116-F176 HydrophobicContact CB-CE2 4.02Å; L119-F176 HydrophobicContact CB-CE1 4.16Å; L119-F176 HydrophobicContact CB-CZ 4.49Å; R121-F176 HydrophobicContact CG-CZ 4.26Å; R121-F176 PolarHBondContact NH1-O 2.85Å; F125-F176 HydrophobicContact CD1-CD2 4.32Å; F125-F176 AromaticContact CD1-CE2 3.96Å; F125-F176 HydrophobicContact CD1-CE2 3.96Å; F125-F176 AromaticContact CD2-CD2 3.92Å; F125-F176 HydrophobicContact CD2-CD2 3.92Å; F125-F176 AromaticContact CD2-CE2 3.78Å; F125-F176 HydrophobicContact CD2-CE2 3.78Å; F125-F176 AromaticContact CE1-CD2 3.92Å; F125-F176 HydrophobicContact CE1-CD2 3.92Å; F125-F176 HydrophobicContact CE1-CE2 4.01Å; F125-F176 AromaticContact CE2-CD2 3.47Å; F125-F176 HydrophobicContact CE2-CD2 3.47Å; F125-F176 VanDerWaalsContact CE2-CD2 3.47Å; F125-F176 AromaticContact CE2-CE2 3.83Å; F125-F176 HydrophobicContact CE2-CE2 3.83Å; F125-F176 HydrophobicContact CE2-CG 4.44Å; F125-F176 HydrophobicContact CG-CD2 4.32Å; F125-F176 AromaticContact CG-CE2 3.85Å; F125-F176 HydrophobicContact CG-CE2 3.85Å; F125-F176 AromaticContact CZ-CD2 3.49Å; F125-F176 HydrophobicContact CZ-CD2 3.49Å; F125-F176 VanDerWaalsContact CZ-CD2 3.49Å; F125-F176 AromaticContact CZ-CE2 3.97Å; F125-F176 HydrophobicContact CZ-CE2 3.97Å; T172-F176 PolarHBondContact O-N 3.11Å; A173-F176 PolarHBondContact O-N 3.41Å; F176-G178 PolarHBondContact O-N 3.2Å
177	L	98.8	Very high	98.8	Very high	35 Å²	35	19.5 Å²	19.5	18%	0.183	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.5	-179.1	-66.2	169.9	0	0	0	113.3	L119 A173 K175 L179 A222 F223 M226	L119-L177 HydrophobicContact CD1-CD2 3.85Å; A173-L177 WeakPolarHBondContact O-CB 3.5Å; A173-L177 WeakPolarHBondContact O-CG 3.43Å; A173-L177 PolarHBondContact O-N 2.91Å; K175-L177 VanDerWaalsContact C-N 3.33Å; K175-L177 PolarHBondContact O-N 3.4Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 HydrophobicContact CB-CD2 3.88Å; L177-L179 HydrophobicContact CB-CG 3.96Å; L177-L179 PolarHBondContact O-N 3.39Å; L177-A222 HydrophobicContact CD1-CB 4.2Å; L177-F223 HydrophobicContact CD1-CD1 3.86Å; L177-F223 HydrophobicContact CD1-CE1 3.92Å; L177-F223 HydrophobicContact CD2-CE1 4.28Å; L177-M226 HydrophobicContact CD1-SD 4.32Å; L177-M226 HydrophobicContact CD2-SD 4.42Å
178	G	98.6	Very high	98.8	Very high	51 Å²	51	19.6 Å²	19.6	53%	0.526	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	35.9	-178.1	0	0	0	0	0	113.3	S174 K175 F176	S174-G178 PolarHBondContact O-N 2.89Å; S174-G178 VanDerWaalsContact O-N 3.16Å; K175-G178 PolarHBondContact O-N 3.49Å; K175-G178 VanDerWaalsContact O-N 3.12Å; F176-G178 PolarHBondContact O-N 3.2Å
179	L	98.9	Very high	98.8	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.068	12%	0.121	C	C	.	.			trans	-62.1	150.1	-178.4	-60.3	-171.1	0	0	0	111.6	H15 S174 L177 K183 A222 M226	H15-L179 PolarHBondContact ND1-O 2.67Å; S174-L179 PolarHBondContact O-N 3.48Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 HydrophobicContact CB-CD2 3.88Å; L177-L179 HydrophobicContact CB-CG 3.96Å; L177-L179 PolarHBondContact O-N 3.39Å; L179-K183 HydrophobicContact CB-CB 3.93Å; L179-K183 HydrophobicContact CD1-CB 4.24Å; L179-K183 HydrophobicContact CD2-CD 4.48Å; L179-K183 HydrophobicContact CG-CB 4.5Å; L179-A222 HydrophobicContact CD1-CB 4.48Å; L179-M226 HydrophobicContact CD2-CB 4.08Å; L179-M226 HydrophobicContact CD2-CG 4.07Å; L179-M226 HydrophobicContact CD2-SD 4.48Å
180	S	98.8	Very high	98.8	Very high	53 Å²	53	20.3 Å²	20.3	37%	0.371	12%	0.124	S	C	.	.			trans	-65.2	157.2	172.3	66.6	0	0	0	0	110.5	T182 K183 C184	S180-T182 PolarHBondContact O-N 2.67Å; S180-K183 CarbonylContact O-C 3.37Å; S180-K183 PolarHBondContact O-N 3.48Å; S180-K183 PolarHBondContact OG-N 3.32Å; S180-C184 PolarHBondContact O-N 3.17Å; S180-C184 PolarHBondContact O-SG 3.11Å; S180-C184 VanDerWaalsContact O-SG 3.37Å
181	S	98.3	Very high	98.8	Very high	31 Å²	31	20.3 Å²	20.3	22%	0.217	12%	0.124	C	C	.	.	H	α-helix	trans	-50.2	-45.5	176.4	-174.2	0	0	0	0	112	A11 T12 K183 C184 Q185	A11-S181 WeakPolarHBondContact CB-O 3.4Å; T12-S181 PolarHBondContact N-OG 3.3Å; S181-K183 PolarHBondContact O-N 3.12Å; S181-C184 WeakPolarHBondContact O-CB 3.02Å; S181-C184 PolarHBondContact O-N 2.95Å; S181-Q185 PolarHBondContact O-N 2.95Å
182	T	98.6	Very high	98.8	Very high	85 Å²	85	20.8 Å²	20.8	52%	0.521	13%	0.127	S	C	.	.	H	α-helix	trans	-58.6	-44.7	175.2	-50.2	0	0	0	0	112.4	S180 Q185 E186	S180-T182 PolarHBondContact O-N 2.67Å; T182-Q185 VanDerWaalsContact O-CB 3.26Å; T182-Q185 WeakPolarHBondContact O-CB 3.42Å; T182-Q185 PolarHBondContact O-N 3.36Å; T182-E186 WeakPolarHBondContact O-CG 3.37Å; T182-E186 PolarHBondContact O-N 3.3Å
183	K	98.9	Very high	98.8	Very high	74 Å²	74	25.9 Å²	25.9	32%	0.322	16%	0.163	S	C	.	.	H	α-helix	trans	-70.8	-31	178.1	-74.9	-173.7	172	-174	0	112.8	L179 S180 S181 Q185 E186 A187 A225 M226	L179-K183 HydrophobicContact CB-CB 3.93Å; L179-K183 HydrophobicContact CD1-CB 4.24Å; L179-K183 HydrophobicContact CD2-CD 4.48Å; L179-K183 HydrophobicContact CG-CB 4.5Å; S180-K183 CarbonylContact O-C 3.37Å; S180-K183 PolarHBondContact O-N 3.48Å; S180-K183 PolarHBondContact OG-N 3.32Å; S181-K183 PolarHBondContact O-N 3.12Å; K183-Q185 VanDerWaalsContact C-N 3.3Å; K183-E186 PolarHBondContact O-N 3.37Å; K183-A187 WeakPolarHBondContact O-CB 3.37Å; K183-A187 PolarHBondContact O-N 3.45Å; K183-A225 WeakPolarHBondContact O-CB 3.42Å; K183-M226 PolarHBondContact NZ-O 3.18Å
184	C	98.9	Very high	98.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-41.2	169	-64.2	0	0	0	0	111	A11 I14 S180 S181 A187 L188	A11-C184 HydrophobicContact CB-CB 4.3Å; I14-C184 HydrophobicContact CB-CB 4.44Å; I14-C184 HydrophobicContact CG2-CB 4.23Å; S180-C184 PolarHBondContact O-N 3.17Å; S180-C184 PolarHBondContact O-SG 3.11Å; S180-C184 VanDerWaalsContact O-SG 3.37Å; S181-C184 WeakPolarHBondContact O-CB 3.02Å; S181-C184 PolarHBondContact O-N 2.95Å; C184-A187 PolarHBondContact O-N 3.09Å; C184-L188 WeakPolarHBondContact O-CG 3.29Å; C184-L188 PolarHBondContact O-N 2.67Å; C184-L188 VanDerWaalsContact O-N 3.11Å
185	Q	98.8	Very high	98.8	Very high	25 Å²	25	29.7 Å²	29.7	12%	0.117	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-48.4	175.3	-172.7	176.5	16.2	0	0	111.5	T7 A11 S181 T182 K183 A187 L188 A189 K233	T7-Q185 HydrophobicContact CG2-CG 3.82Å; A11-Q185 HydrophobicContact CB-CB 3.67Å; A11-Q185 HydrophobicContact CB-CG 4.41Å; S181-Q185 PolarHBondContact O-N 2.95Å; T182-Q185 VanDerWaalsContact O-CB 3.26Å; T182-Q185 WeakPolarHBondContact O-CB 3.42Å; T182-Q185 PolarHBondContact O-N 3.36Å; K183-Q185 VanDerWaalsContact C-N 3.3Å; Q185-A187 PolarHBondContact O-N 3.21Å; Q185-L188 PolarHBondContact O-N 2.67Å; Q185-A189 PolarHBondContact O-N 2.91Å; Q185-A189 VanDerWaalsContact O-N 3.08Å; Q185-K233 PolarHBondContact NE2-O 3.4Å
186	E	98.9	Very high	98.8	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-39.1	178.5	-56.4	-53.8	171.2	0	0	112	T182 K183 L188 A189 I190 A225 Q230 G231	T182-E186 WeakPolarHBondContact O-CG 3.37Å; T182-E186 PolarHBondContact O-N 3.3Å; K183-E186 PolarHBondContact O-N 3.37Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.39Å; E186-A189 PolarHBondContact O-N 3.49Å; E186-A189 VanDerWaalsContact O-N 3.13Å; E186-I190 WeakPolarHBondContact O-CD1 3.07Å; E186-I190 VanDerWaalsContact O-CG1 3.28Å; E186-I190 WeakPolarHBondContact O-CG1 3.44Å; E186-I190 PolarHBondContact O-N 3.03Å; E186-A225 HydrophobicContact CB-CB 4.03Å; E186-Q230 WeakPolarHBondContact OE2-CA 3.37Å; E186-G231 PolarHBondContact OE2-N 3.42Å
187	A	98.9	Very high	98.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-42.8	176.6	0	0	0	0	0	111.8	S174 K183 C184 Q185 A191 A221 A222 A225	S174-A187 WeakPolarHBondContact OG-CB 3.4Å; K183-A187 WeakPolarHBondContact O-CB 3.37Å; K183-A187 PolarHBondContact O-N 3.45Å; C184-A187 PolarHBondContact O-N 3.09Å; Q185-A187 PolarHBondContact O-N 3.21Å; A187-A191 WeakPolarHBondContact O-CB 3.27Å; A187-A191 PolarHBondContact O-N 2.94Å; A187-A221 WeakPolarHBondContact O-CB 3.43Å; A187-A222 HydrophobicContact CB-CB 4.5Å; A187-A225 HydrophobicContact CB-CB 3.77Å
188	L	98.9	Very high	98.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-44.3	173.7	-66.9	174.9	0	0	0	111.5	F10 I14 L167 C184 Q185 E186 I190 A191 V192 L236	F10-L188 HydrophobicContact CB-CD1 3.81Å; I14-L188 HydrophobicContact CD1-CD1 3.8Å; I14-L188 HydrophobicContact CD1-CD2 4.13Å; I14-L188 HydrophobicContact CD1-CG 4.19Å; L167-L188 HydrophobicContact CB-CD2 4.19Å; L167-L188 HydrophobicContact CD2-CD2 4.36Å; L167-L188 HydrophobicContact CG-CD2 4.32Å; C184-L188 WeakPolarHBondContact O-CG 3.29Å; C184-L188 PolarHBondContact O-N 2.67Å; C184-L188 VanDerWaalsContact O-N 3.11Å; Q185-L188 PolarHBondContact O-N 2.67Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.39Å; L188-I190 PolarHBondContact O-N 3.15Å; L188-A191 PolarHBondContact O-N 2.89Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.44Å; L188-V192 PolarHBondContact O-N 2.95Å; L188-L236 HydrophobicContact CD1-CD1 4.4Å
189	A	98.9	Very high	98.7	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-41.2	-179.7	0	0	0	0	0	113	Q185 E186 V235	Q185-A189 PolarHBondContact O-N 2.91Å; Q185-A189 VanDerWaalsContact O-N 3.08Å; E186-A189 PolarHBondContact O-N 3.49Å; E186-A189 VanDerWaalsContact O-N 3.13Å; A189-V235 HydrophobicContact CB-CB 4.2Å; A189-V235 HydrophobicContact CB-CG1 3.97Å
190	I	98.9	Very high	98.4	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.062	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-41.9	175	-63.6	158.5	0	0	0	110.3	E186 L188 V192 S193 H194 A221 L224 A225 L229	E186-I190 WeakPolarHBondContact O-CD1 3.07Å; E186-I190 VanDerWaalsContact O-CG1 3.28Å; E186-I190 WeakPolarHBondContact O-CG1 3.44Å; E186-I190 PolarHBondContact O-N 3.03Å; L188-I190 PolarHBondContact O-N 3.15Å; I190-V192 VanDerWaalsContact C-N 3.29Å; I190-V192 PolarHBondContact O-N 3.08Å; I190-S193 PolarHBondContact O-N 3.17Å; I190-S193 VanDerWaalsContact O-N 3.16Å; I190-H194 PolarHBondContact O-ND1 3.21Å; I190-A221 HydrophobicContact CB-CB 4Å; I190-A221 HydrophobicContact CG2-CB 3.76Å; I190-L224 HydrophobicContact CD1-CB 4.02Å; I190-L224 HydrophobicContact CG2-CB 4.49Å; I190-L224 HydrophobicContact CG2-CD1 3.95Å; I190-A225 HydrophobicContact CD1-CB 4.11Å; I190-L229 HydrophobicContact CD1-CB 3.89Å; I190-L229 HydrophobicContact CD1-CD2 3.86Å; I190-L229 HydrophobicContact CD1-CG 3.91Å; I190-L229 HydrophobicContact CG1-CD2 4.08Å; I190-L229 HydrophobicContact CG1-CG 4.32Å
191	A	98.9	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-35.3	179.5	0	0	0	0	0	112.8	T166 L167 A170 A187 L188 S193 H194 A195 A221	T166-A191 HydrophobicContact CG2-CB 4.3Å; L167-A191 HydrophobicContact CD1-CB 4.43Å; L167-A191 HydrophobicContact CG-CB 4.33Å; A170-A191 HydrophobicContact CB-CB 3.68Å; A187-A191 WeakPolarHBondContact O-CB 3.27Å; A187-A191 PolarHBondContact O-N 2.94Å; L188-A191 PolarHBondContact O-N 2.89Å; A191-S193 VanDerWaalsContact C-N 3.26Å; A191-S193 PolarHBondContact O-N 3.45Å; A191-H194 PolarHBondContact O-N 3.43Å; A191-A195 PolarHBondContact O-N 3.39Å; A191-A221 HydrophobicContact CB-CB 3.81Å
192	V	98.9	Very high	97.6	Very high	11 Å²	11	33.4 Å²	33.4	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-39.5	175.6	170.5	0	0	0	0	111.6	L167 L188 I190 H194 A195 V235 L236 F242 F245	L167-V192 HydrophobicContact CD1-CG2 4.09Å; L167-V192 HydrophobicContact CD2-CG2 3.87Å; L167-V192 HydrophobicContact CG-CG2 4.32Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.44Å; L188-V192 PolarHBondContact O-N 2.95Å; I190-V192 VanDerWaalsContact C-N 3.29Å; I190-V192 PolarHBondContact O-N 3.08Å; V192-H194 PolarHBondContact O-N 2.88Å; V192-A195 PolarHBondContact O-N 3.03Å; V192-V235 HydrophobicContact CB-CG2 3.75Å; V192-V235 HydrophobicContact CG1-CG2 3.7Å; V192-V235 HydrophobicContact CG2-CG1 4.25Å; V192-V235 HydrophobicContact CG2-CG2 3.69Å; V192-L236 HydrophobicContact CG2-CD2 4.37Å; V192-F242 HydrophobicContact CG1-CB 4.4Å; V192-F242 HydrophobicContact CG1-CD2 4.45Å; V192-F242 HydrophobicContact CG2-CB 4.25Å; V192-F242 HydrophobicContact CG2-CD2 3.96Å; V192-F242 HydrophobicContact CG2-CG 4.49Å; V192-F245 HydrophobicContact CG1-CE2 4.25Å
193	S	98.9	Very high	97.1	Very high	106 Å²	106	29.9 Å²	29.9	74%	0.741	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.4	177.2	-64.5	0	0	0	0	114.3	I190 A191	I190-S193 PolarHBondContact O-N 3.17Å; I190-S193 VanDerWaalsContact O-N 3.16Å; A191-S193 VanDerWaalsContact C-N 3.26Å; A191-S193 PolarHBondContact O-N 3.45Å
194	H	98.8	Very high	96.9	Very high	69 Å²	69	28.9 Å²	28.9	32%	0.319	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.4	175.7	-62.8	82.7	0	0	0	113	T166 I190 A191 V192 H217	T166-H194 HydrophobicContact CG2-CB 4.44Å; I190-H194 PolarHBondContact O-ND1 3.21Å; A191-H194 PolarHBondContact O-N 3.43Å; V192-H194 PolarHBondContact O-N 2.88Å; H194-H217 HydrophobicContact CB-CB 3.69Å; H194-H217 PolarHBondContact O-ND1 3.18Å
195	A	98.8	Very high	96.8	Very high	13 Å²	13	31.5 Å²	31.5	11%	0.107	20%	0.203	C	C	.	.			trans	-93.6	159.2	-173.5	0	0	0	0	0	112.3	S162 T166 L167 A191 V192 F245	S162-A195 WeakPolarHBondContact O-CA 3.23Å; T166-A195 HydrophobicContact CG2-CB 4.27Å; L167-A195 HydrophobicContact CD1-CB 4.24Å; A191-A195 PolarHBondContact O-N 3.39Å; V192-A195 PolarHBondContact O-N 3.03Å; A195-F245 HydrophobicContact CB-CE2 4.11Å; A195-F245 HydrophobicContact CB-CZ 4.13Å; A195-F245 WeakPolarHBondContact O-CE1 3.44Å; A195-F245 VanDerWaalsContact O-CZ 3.26Å; A195-F245 WeakPolarHBondContact O-CZ 3.5Å
196	G	98.4	Very high	96.8	Very high	28 Å²	28	33.1 Å²	33.1	29%	0.289	21%	0.214	S	C	.	.			trans	96.4	101	170.8	0	0	0	0	0	114.7	S162	S162-G196 PolarHBondContact O-N 2.98Å
197	A	98.8	Very high	96.8	Very high	18 Å²	18	33.1 Å²	33.1	15%	0.149	22%	0.215	C	C	.	.			trans	-115.1	134.4	169.3	0	0	0	0	0	110.3	F158 H159 S162 H210	F158-A197 CarbonylContact C-O 3.26Å; F158-A197 WeakPolarHBondContact CA-O 3.44Å; H159-A197 PolarHBondContact N-O 3.5Å; S162-A197 WeakPolarHBondContact OG-CB 3.4Å; S162-A197 PolarHBondContact OG-N 3.35Å; A197-H210 WeakPolarHBondContact CB-NE2 3.48Å
198	P	98.4	Very high	96.7	Very high	75 Å²	75	33.3 Å²	33.3	49%	0.487	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-63.9	150.6	178.5	-23.6	34.4	0	0	0	114	R157 A200	R157-P198 WeakPolarHBondContact O-CA 3.33Å; P198-A200 PolarHBondContact O-N 3.45Å
199	M	95.9	Very high	96.7	Very high	19 Å²	19	35.5 Å²	35.5	9%	0.094	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-65.7	-16.2	177.3	-83.2	-61.3	-66.1	0	0	114.5	P155 R157 H159 N201 A202 Y318	P155-M199 HydrophobicContact CB-CE 4.5Å; P155-M199 HydrophobicContact CB-CG 4.13Å; P155-M199 HydrophobicContact CB-SD 3.94Å; P155-M199 HydrophobicContact CG-CE 3.83Å; P155-M199 HydrophobicContact CG-CG 4.41Å; P155-M199 HydrophobicContact CG-SD 3.62Å; R157-M199 PolarHBondContact O-N 3.45Å; H159-M199 HydrophobicContact CB-SD 3.86Å; M199-N201 PolarHBondContact O-N 2.99Å; M199-N201 VanDerWaalsContact O-N 3.1Å; M199-A202 HydrophobicContact CE-CB 3.78Å; M199-A202 WeakPolarHBondContact O-CB 3.11Å; M199-A202 PolarHBondContact O-N 3.37Å; M199-A202 HydrophobicContact SD-CB 4.39Å; M199-Y318 HydrophobicContact CE-CD1 3.83Å; M199-Y318 HydrophobicContact CE-CD2 4.36Å; M199-Y318 HydrophobicContact CE-CE1 3.61Å; M199-Y318 HydrophobicContact CE-CE2 4.19Å; M199-Y318 HydrophobicContact CE-CG 4.2Å
200	A	94.4	Very high	96.7	Very high	89 Å²	89	35.9 Å²	35.9	74%	0.736	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-57.3	-28.6	-177.7	0	0	0	0	0	113.4	P198	P198-A200 PolarHBondContact O-N 3.45Å
201	N	94.9	Very high	96.7	Very high	63 Å²	63	35.3 Å²	35.3	34%	0.337	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-88.1	4.6	177.7	-78.4	-31.6	0	0	0	114.3	M199 A203 T204 T206 K207	M199-N201 PolarHBondContact O-N 2.99Å; M199-N201 VanDerWaalsContact O-N 3.1Å; N201-A203 VanDerWaalsContact C-N 3.32Å; N201-A203 PolarHBondContact O-N 2.88Å; N201-T204 PolarHBondContact O-N 2.88Å; N201-T204 PolarHBondContact O-OG1 2.82Å; N201-T204 VanDerWaalsContact O-OG1 3.08Å; N201-T204 PolarHBondContact OD1-OG1 3.44Å; N201-T206 HydrophobicContact CB-CG2 4.4Å; N201-K207 WeakPolarHBondContact O-CB 3.34Å; N201-K207 PolarHBondContact O-N 3.03Å
202	A	84.7	Confident	96.7	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-34.5	-174.7	0	0	0	0	0	113.4	M199 K207 Y318 H332	M199-A202 HydrophobicContact CE-CB 3.78Å; M199-A202 WeakPolarHBondContact O-CB 3.11Å; M199-A202 PolarHBondContact O-N 3.37Å; M199-A202 HydrophobicContact SD-CB 4.39Å; A202-K207 HydrophobicContact CB-CD 4.29Å; A202-K207 WeakPolarHBondContact O-CB 3.44Å; A202-K207 WeakPolarHBondContact O-CD 3.46Å; A202-Y318 HydrophobicContact CB-CD2 4.4Å; A202-H332 PolarHBondContact O-CE1 2.59Å; A202-H332 PolarHBondContact O-NE2 3.29Å
203	A	88.9	Confident	96.7	Very high	11 Å²	11	37.2 Å²	37.2	9%	0.091	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	22.7	178.6	0	0	0	0	0	113.1	N201 H328 H332	N201-A203 VanDerWaalsContact C-N 3.32Å; N201-A203 PolarHBondContact O-N 2.88Å; A203-H328 WeakPolarHBondContact O-CB 3.32Å; A203-H332 HydrophobicContact CB-CB 4.25Å
204	T	93.8	Very high	96.7	Very high	52 Å²	52	32.2 Å²	32.2	32%	0.319	20%	0.2	S	C	.	.	S	Bend	trans	-116.6	169.1	179.1	77.4	0	0	0	0	110.6	N201 T206 K207	N201-T204 PolarHBondContact O-N 2.88Å; N201-T204 PolarHBondContact O-OG1 2.82Å; N201-T204 VanDerWaalsContact O-OG1 3.08Å; N201-T204 PolarHBondContact OD1-OG1 3.44Å; T204-T206 PolarHBondContact O-N 3.05Å; T204-T206 PolarHBondContact OG1-N 3.33Å; T204-K207 PolarHBondContact O-N 3.05Å
205	Q	96.8	Very high	96.7	Very high	56 Å²	56	28.9 Å²	28.9	26%	0.262	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.6	175.8	-166.6	171.8	72	0	0	113.3	E48 V49 P208 H328	E48-Q205 PolarHBondContact OE2-NE2 2.88Å; V49-Q205 HydrophobicContact CB-CG 3.8Å; V49-Q205 HydrophobicContact CG2-CG 4Å; V49-Q205 VanDerWaalsContact CG2-O 3.28Å; V49-Q205 WeakPolarHBondContact CG2-O 3.24Å; Q205-P208 WeakPolarHBondContact O-CD 3.26Å; Q205-H328 WeakPolarHBondContact CA-NE2 3.3Å
206	T	98.5	Very high	96.8	Very high	59 Å²	59	29.4 Å²	29.4	36%	0.362	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-21.2	178.4	-55.9	0	0	0	0	113.3	N201 T204 P208 L209	N201-T206 HydrophobicContact CB-CG2 4.4Å; T204-T206 PolarHBondContact O-N 3.05Å; T204-T206 PolarHBondContact OG1-N 3.33Å; T206-P208 VanDerWaalsContact C-N 3.32Å; T206-L209 WeakPolarHBondContact O-CB 3.25Å; T206-L209 PolarHBondContact O-N 2.77Å
207	K	98.4	Very high	96.8	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.039	18%	0.179	C	C	.	.	H	α-helix	trans	-50.6	-43.5	-179.7	179.1	174.8	174.1	-168.1	0	113.8	H90 D93 N201 A202 T204 L209 H210 H332	H90-K207 WeakPolarHBondContact NE2-CE 3.44Å; D93-K207 WeakPolarHBondContact OD1-CE 3.39Å; D93-K207 IonicContact OD1-NZ 2.67Å; D93-K207 PolarHBondContact OD1-NZ 3.34Å; D93-K207 IonicContact OD2-NZ 3.14Å; N201-K207 WeakPolarHBondContact O-CB 3.34Å; N201-K207 PolarHBondContact O-N 3.03Å; A202-K207 HydrophobicContact CB-CD 4.29Å; A202-K207 WeakPolarHBondContact O-CB 3.44Å; A202-K207 WeakPolarHBondContact O-CD 3.46Å; T204-K207 PolarHBondContact O-N 3.05Å; K207-L209 PolarHBondContact O-N 3.38Å; K207-H210 WeakPolarHBondContact O-CB 3.37Å; K207-H210 PolarHBondContact O-N 2.84Å; K207-H332 PolarHBondContact NZ-NE2 2.86Å
208	P	98.8	Very high	96.8	Very high	3 Å²	3	29 Å²	29	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-31.9	178.7	-27.3	38.4	0	0	0	113.8	V49 V87 Q205 T206 H210 I211 G212	V49-P208 HydrophobicContact CG1-CB 4.35Å; V49-P208 HydrophobicContact CG1-CG 4.12Å; V49-P208 HydrophobicContact CG2-CB 4.2Å; V49-P208 HydrophobicContact CG2-CG 4.23Å; V87-P208 HydrophobicContact CG1-CB 4.1Å; Q205-P208 WeakPolarHBondContact O-CD 3.26Å; T206-P208 VanDerWaalsContact C-N 3.32Å; P208-H210 PolarHBondContact O-N 2.81Å; P208-I211 PolarHBondContact O-N 3Å; P208-G212 PolarHBondContact O-N 3.3Å
209	L	98.9	Very high	96.8	Very high	48 Å²	48	25.4 Å²	25.4	25%	0.251	15%	0.149	S	C	.	.	H	α-helix	trans	-66.9	-18.7	176.5	-79.9	63.7	0	0	0	112.2	V49 F83 V87 T206 K207 I211 G212 N213	V49-L209 HydrophobicContact CG2-CD1 3.68Å; F83-L209 HydrophobicContact CE2-CG 4.15Å; F83-L209 HydrophobicContact CZ-CD2 4.34Å; F83-L209 HydrophobicContact CZ-CG 4Å; V87-L209 HydrophobicContact CG1-CD1 4.41Å; V87-L209 HydrophobicContact CG2-CD1 4.01Å; V87-L209 HydrophobicContact CG2-CG 4.16Å; T206-L209 WeakPolarHBondContact O-CB 3.25Å; T206-L209 PolarHBondContact O-N 2.77Å; K207-L209 PolarHBondContact O-N 3.38Å; L209-I211 VanDerWaalsContact C-N 3.34Å; L209-G212 PolarHBondContact O-N 3.26Å; L209-N213 WeakPolarHBondContact O-CB 3.25Å; L209-N213 VanDerWaalsContact O-CG 3.25Å; L209-N213 PolarHBondContact O-N 3.06Å; L209-N213 PolarHBondContact O-ND2 3.49Å
210	H	98.9	Very high	97	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.046	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-41	173.9	-62.7	172.5	0	0	0	111.4	H159 A197 K207 P208 A214	H159-H210 AromaticContact CE1-ND1 3.9Å; H159-H210 AromaticContact CG-ND1 3.56Å; H159-H210 WeakPolarHBondContact ND1-CB 2.99Å; H159-H210 AromaticContact ND1-CG 3.61Å; H159-H210 AromaticContact ND1-ND1 3Å; H159-H210 PolarHBondContact ND1-ND1 3.02Å; A197-H210 WeakPolarHBondContact CB-NE2 3.48Å; K207-H210 WeakPolarHBondContact O-CB 3.37Å; K207-H210 PolarHBondContact O-N 2.84Å; P208-H210 PolarHBondContact O-N 2.81Å; H210-A214 VanDerWaalsContact O-CB 3.29Å; H210-A214 WeakPolarHBondContact O-CB 3.49Å; H210-A214 PolarHBondContact O-N 3.33Å
211	I	98.9	Very high	97.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-74.2	-44.5	174.6	-74.8	-74.2	0	0	0	110.8	G86 H90 H103 G106 A107 P161 P208 L209 N213 A214 A215	G86-I211 WeakPolarHBondContact O-CG2 3.39Å; H90-I211 HydrophobicContact CB-CB 3.75Å; H90-I211 HydrophobicContact CB-CG1 3.72Å; H90-I211 HydrophobicContact CB-CG2 4.15Å; H103-I211 HydrophobicContact CB-CD1 4.14Å; H103-I211 WeakPolarHBondContact O-CD1 3.48Å; G106-I211 VanDerWaalsContact C-CG2 3.43Å; G106-I211 VanDerWaalsContact O-CG2 3.3Å; G106-I211 WeakPolarHBondContact O-CG2 3.11Å; A107-I211 HydrophobicContact CB-CD1 4.44Å; P161-I211 HydrophobicContact CB-CD1 3.51Å; P161-I211 HydrophobicContact CB-CG1 4.13Å; P161-I211 HydrophobicContact CG-CD1 4.3Å; P208-I211 PolarHBondContact O-N 3Å; L209-I211 VanDerWaalsContact C-N 3.34Å; I211-N213 VanDerWaalsContact C-N 3.33Å; I211-N213 PolarHBondContact O-N 3.4Å; I211-A214 WeakPolarHBondContact O-CB 3.26Å; I211-A214 PolarHBondContact O-N 2.82Å; I211-A215 PolarHBondContact O-N 3.45Å
212	G	98.9	Very high	97.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-55.8	-46.9	175.9	0	0	0	0	0	112.5	F83 P208 L209 A215 K216	F83-G212 VanDerWaalsContact CD2-C 3.47Å; F83-G212 WeakPolarHBondContact O-CA 3.13Å; P208-G212 PolarHBondContact O-N 3.3Å; L209-G212 PolarHBondContact O-N 3.26Å; G212-A215 PolarHBondContact O-N 3.15Å; G212-K216 WeakPolarHBondContact O-CB 3.39Å; G212-K216 PolarHBondContact O-N 3.37Å
213	N	98.9	Very high	98	Very high	52 Å²	52	21.5 Å²	21.5	28%	0.278	11%	0.112	S	C	.	.	H	α-helix	trans	-69.3	-37.3	177.6	-74.5	-23	0	0	0	112.2	F83 L209 I211 A215 K216 H217	F83-N213 VanDerWaalsContact CE2-OD1 3.24Å; F83-N213 WeakPolarHBondContact CE2-OD1 3.43Å; L209-N213 WeakPolarHBondContact O-CB 3.25Å; L209-N213 VanDerWaalsContact O-CG 3.25Å; L209-N213 PolarHBondContact O-N 3.06Å; L209-N213 PolarHBondContact O-ND2 3.49Å; I211-N213 VanDerWaalsContact C-N 3.33Å; I211-N213 PolarHBondContact O-N 3.4Å; N213-A215 VanDerWaalsContact C-N 3.32Å; N213-A215 PolarHBondContact O-N 3.2Å; N213-K216 PolarHBondContact O-N 3.18Å; N213-H217 WeakPolarHBondContact O-CB 3.39Å; N213-H217 PolarHBondContact O-N 2.89Å
214	A	98.9	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.6	-46.9	173.3	0	0	0	0	0	111.4	A107 P161 T166 S169 H210 I211 G218	A107-A214 HydrophobicContact CB-CB 4.05Å; P161-A214 WeakPolarHBondContact O-CB 3.44Å; T166-A214 WeakPolarHBondContact OG1-CA 3.49Å; S169-A214 WeakPolarHBondContact CB-O 3.38Å; S169-A214 PolarHBondContact OG-O 2.89Å; H210-A214 VanDerWaalsContact O-CB 3.29Å; H210-A214 WeakPolarHBondContact O-CB 3.49Å; H210-A214 PolarHBondContact O-N 3.33Å; I211-A214 WeakPolarHBondContact O-CB 3.26Å; I211-A214 PolarHBondContact O-N 2.82Å; A214-G218 PolarHBondContact O-N 3.42Å
215	A	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-52	174.7	0	0	0	0	0	111.5	A82 P110 V111 S169 I211 G212 N213 I219	A82-A215 HydrophobicContact CB-CB 4.24Å; P110-A215 HydrophobicContact CG-CB 4.1Å; V111-A215 HydrophobicContact CG2-CB 3.84Å; S169-A215 PolarHBondContact OG-O 3.42Å; I211-A215 PolarHBondContact O-N 3.45Å; G212-A215 PolarHBondContact O-N 3.15Å; N213-A215 VanDerWaalsContact C-N 3.32Å; N213-A215 PolarHBondContact O-N 3.2Å; A215-I219 PolarHBondContact O-N 3.31Å
216	K	98.9	Very high	98.9	Very high	23 Å²	23	22.6 Å²	22.6	10%	0.1	11%	0.114	C	C	.	.	H	α-helix	trans	-57.6	-56.5	179.9	-178.1	-174.4	166.7	179.2	0	113.1	Y80 F83 G212 N213 G218 I219 E220	Y80-K216 PolarHBondContact OH-NZ 2.87Å; F83-K216 HydrophobicContact CB-CB 4.08Å; F83-K216 HydrophobicContact CB-CD 4.38Å; F83-K216 HydrophobicContact CD2-CD 4.41Å; G212-K216 WeakPolarHBondContact O-CB 3.39Å; G212-K216 PolarHBondContact O-N 3.37Å; N213-K216 PolarHBondContact O-N 3.18Å; K216-G218 VanDerWaalsContact C-N 3.3Å; K216-G218 PolarHBondContact O-N 2.77Å; K216-I219 WeakPolarHBondContact O-CB 3.19Å; K216-I219 PolarHBondContact O-N 3.33Å; K216-I219 VanDerWaalsContact O-N 3.15Å; K216-E220 WeakPolarHBondContact CE-OE1 3.48Å; K216-E220 IonicContact NZ-OE1 3.9Å; K216-E220 PolarHBondContact O-N 3.32Å
217	H	98.9	Very high	98.9	Very high	37 Å²	37	26.6 Å²	26.6	17%	0.171	13%	0.133	C	C	.	.	H	α-helix	trans	-68.5	-29.9	-170.7	-65.3	169.2	0	0	0	112.1	T166 H194 N213 E220 A221	T166-H217 HydrophobicContact CG2-CB 3.96Å; H194-H217 HydrophobicContact CB-CB 3.69Å; H194-H217 PolarHBondContact O-ND1 3.18Å; N213-H217 WeakPolarHBondContact O-CB 3.39Å; N213-H217 PolarHBondContact O-N 2.89Å; H217-E220 IonicContact CD2-OE2 2.83Å; H217-E220 PolarHBondContact CD2-OE2 3.14Å; H217-E220 PolarHBondContact O-N 3.14Å; H217-A221 WeakPolarHBondContact O-CB 3.34Å; H217-A221 PolarHBondContact O-N 3.04Å
218	G	98.9	Very high	98.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.7	-36.9	173	0	0	0	0	0	113.2	S169 A170 A214 K216 A222	S169-G218 VanDerWaalsContact OG-CA 3.25Å; S169-G218 WeakPolarHBondContact OG-CA 3.39Å; A170-G218 WeakPolarHBondContact CA-O 3.5Å; A214-G218 PolarHBondContact O-N 3.42Å; K216-G218 VanDerWaalsContact C-N 3.3Å; K216-G218 PolarHBondContact O-N 2.77Å; G218-A222 WeakPolarHBondContact O-CB 3.48Å; G218-A222 PolarHBondContact O-N 2.93Å
219	I	98.9	Very high	98.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-48	171	-64.5	170.4	0	0	0	110.4	T79 A82 V111 L115 A173 A215 K216 A221 A222 F223	T79-I219 HydrophobicContact CG2-CB 4.11Å; T79-I219 HydrophobicContact CG2-CG2 3.59Å; A82-I219 HydrophobicContact CB-CD1 3.54Å; V111-I219 HydrophobicContact CB-CD1 4.27Å; V111-I219 HydrophobicContact CB-CG1 4.34Å; V111-I219 HydrophobicContact CG1-CD1 3.96Å; V111-I219 HydrophobicContact CG1-CG1 3.62Å; V111-I219 HydrophobicContact CG2-CD1 4.16Å; V111-I219 HydrophobicContact CG2-CG1 4.17Å; L115-I219 HydrophobicContact CD1-CG1 4.49Å; L115-I219 HydrophobicContact CD2-CG2 4.18Å; A173-I219 HydrophobicContact CB-CG1 4.43Å; A215-I219 PolarHBondContact O-N 3.31Å; K216-I219 WeakPolarHBondContact O-CB 3.19Å; K216-I219 PolarHBondContact O-N 3.33Å; K216-I219 VanDerWaalsContact O-N 3.15Å; I219-A221 VanDerWaalsContact C-N 3.31Å; I219-A221 PolarHBondContact O-N 2.81Å; I219-A222 PolarHBondContact O-N 2.83Å; I219-F223 HydrophobicContact CG2-CD1 4.45Å; I219-F223 HydrophobicContact CG2-CD2 3.81Å; I219-F223 HydrophobicContact CG2-CE1 4.15Å; I219-F223 HydrophobicContact CG2-CE2 3.46Å; I219-F223 VanDerWaalsContact CG2-CE2 3.46Å; I219-F223 HydrophobicContact CG2-CG 4.3Å; I219-F223 HydrophobicContact CG2-CZ 3.66Å; I219-F223 WeakPolarHBondContact O-CG 3.25Å; I219-F223 PolarHBondContact O-N 3.03Å
220	E	98.9	Very high	98.9	Very high	49 Å²	49	36.9 Å²	36.9	23%	0.229	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-44.7	179	-70.2	176.5	158.3	0	0	111.3	T79 K216 H217 A222 F223 L224	T79-E220 HydrophobicContact CG2-CG 3.79Å; K216-E220 WeakPolarHBondContact CE-OE1 3.48Å; K216-E220 IonicContact NZ-OE1 3.9Å; K216-E220 PolarHBondContact O-N 3.32Å; H217-E220 IonicContact CD2-OE2 2.83Å; H217-E220 PolarHBondContact CD2-OE2 3.14Å; H217-E220 PolarHBondContact O-N 3.14Å; E220-A222 PolarHBondContact O-N 3Å; E220-F223 PolarHBondContact O-N 2.94Å; E220-L224 WeakPolarHBondContact O-CB 3.28Å; E220-L224 VanDerWaalsContact O-CG 3.25Å; E220-L224 WeakPolarHBondContact O-CG 3.36Å; E220-L224 PolarHBondContact O-N 3.33Å
221	A	98.9	Very high	98.9	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-43.6	176.1	0	0	0	0	0	112.8	A170 A187 I190 A191 H217 I219 L224 A225	A170-A221 HydrophobicContact CB-CB 4.49Å; A187-A221 WeakPolarHBondContact O-CB 3.43Å; I190-A221 HydrophobicContact CB-CB 4Å; I190-A221 HydrophobicContact CG2-CB 3.76Å; A191-A221 HydrophobicContact CB-CB 3.81Å; H217-A221 WeakPolarHBondContact O-CB 3.34Å; H217-A221 PolarHBondContact O-N 3.04Å; I219-A221 VanDerWaalsContact C-N 3.31Å; I219-A221 PolarHBondContact O-N 2.81Å; A221-L224 PolarHBondContact O-N 3.28Å; A221-A225 WeakPolarHBondContact O-CB 3.44Å; A221-A225 PolarHBondContact O-N 3.25Å
222	A	98.9	Very high	98.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-39.1	176.9	0	0	0	0	0	112.4	A173 L177 L179 A187 G218 I219 E220 M226	A173-A222 HydrophobicContact CB-CB 3.61Å; L177-A222 HydrophobicContact CD1-CB 4.2Å; L179-A222 HydrophobicContact CD1-CB 4.48Å; A187-A222 HydrophobicContact CB-CB 4.5Å; G218-A222 WeakPolarHBondContact O-CB 3.48Å; G218-A222 PolarHBondContact O-N 2.93Å; I219-A222 PolarHBondContact O-N 2.83Å; E220-A222 PolarHBondContact O-N 3Å; A222-M226 VanDerWaalsContact O-CB 3.31Å; A222-M226 WeakPolarHBondContact O-CB 3.33Å; A222-M226 PolarHBondContact O-N 3.47Å
223	F	98.9	Very high	98.9	Very high	42 Å²	42	48.1 Å²	48.1	18%	0.184	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-43.3	174.1	-72.9	-11.9	0	0	0	112.2	P78 T79 L115 L119 L177 I219 E220 A225 M226 L227	P78-F223 HydrophobicContact CG-CE2 4.43Å; P78-F223 HydrophobicContact CG-CZ 4.44Å; T79-F223 HydrophobicContact CG2-CE2 4.34Å; L115-F223 HydrophobicContact CD2-CE1 4.03Å; L115-F223 HydrophobicContact CD2-CZ 3.72Å; L119-F223 HydrophobicContact CD1-CE1 4.12Å; L119-F223 HydrophobicContact CD1-CZ 4.17Å; L177-F223 HydrophobicContact CD1-CD1 3.86Å; L177-F223 HydrophobicContact CD1-CE1 3.92Å; L177-F223 HydrophobicContact CD2-CE1 4.28Å; I219-F223 HydrophobicContact CG2-CD1 4.45Å; I219-F223 HydrophobicContact CG2-CD2 3.81Å; I219-F223 HydrophobicContact CG2-CE1 4.15Å; I219-F223 HydrophobicContact CG2-CE2 3.46Å; I219-F223 VanDerWaalsContact CG2-CE2 3.46Å; I219-F223 HydrophobicContact CG2-CG 4.3Å; I219-F223 HydrophobicContact CG2-CZ 3.66Å; I219-F223 WeakPolarHBondContact O-CG 3.25Å; I219-F223 PolarHBondContact O-N 3.03Å; E220-F223 PolarHBondContact O-N 2.94Å; F223-A225 PolarHBondContact O-N 3.03Å; F223-M226 HydrophobicContact CD1-CE 4.23Å; F223-M226 WeakPolarHBondContact O-CB 3.42Å; F223-M226 PolarHBondContact O-N 3.47Å; F223-L227 WeakPolarHBondContact O-CG 3.44Å; F223-L227 PolarHBondContact O-N 3.09Å
224	L	98.9	Very high	98.8	Very high	65 Å²	65	50.5 Å²	50.5	34%	0.34	27%	0.265	S	S	.	.	H	α-helix	trans	-62.7	-42.6	175.9	-71.2	168.8	0	0	0	111.8	I190 E220 A221 M226 L227 G228 L229	I190-L224 HydrophobicContact CD1-CB 4.02Å; I190-L224 HydrophobicContact CG2-CB 4.49Å; I190-L224 HydrophobicContact CG2-CD1 3.95Å; E220-L224 WeakPolarHBondContact O-CB 3.28Å; E220-L224 VanDerWaalsContact O-CG 3.25Å; E220-L224 WeakPolarHBondContact O-CG 3.36Å; E220-L224 PolarHBondContact O-N 3.33Å; A221-L224 PolarHBondContact O-N 3.28Å; L224-M226 VanDerWaalsContact C-N 3.33Å; L224-M226 PolarHBondContact O-N 3.31Å; L224-L227 CarbonylContact O-C 3.27Å; L224-L227 PolarHBondContact O-N 3.29Å; L224-G228 PolarHBondContact O-N 3.01Å; L224-L229 HydrophobicContact CB-CB 4.15Å; L224-L229 HydrophobicContact CB-CD2 3.9Å; L224-L229 HydrophobicContact CD1-CD2 4.09Å; L224-L229 HydrophobicContact CD2-CD2 4.26Å; L224-L229 HydrophobicContact CG-CD2 4.32Å; L224-L229 WeakPolarHBondContact O-CB 3.39Å; L224-L229 PolarHBondContact O-N 3.32Å
225	A	98.9	Very high	98.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-37.4	173.4	0	0	0	0	0	112.4	K183 E186 A187 I190 A221 F223 L227 G228	K183-A225 WeakPolarHBondContact O-CB 3.42Å; E186-A225 HydrophobicContact CB-CB 4.03Å; A187-A225 HydrophobicContact CB-CB 3.77Å; I190-A225 HydrophobicContact CD1-CB 4.11Å; A221-A225 WeakPolarHBondContact O-CB 3.44Å; A221-A225 PolarHBondContact O-N 3.25Å; F223-A225 PolarHBondContact O-N 3.03Å; A225-L227 PolarHBondContact O-N 3.17Å; A225-G228 PolarHBondContact O-N 2.7Å
226	M	98.8	Very high	98.8	Very high	77 Å²	77	51 Å²	51	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-35.9	173.8	-173.5	174.9	73.4	0	0	111.7	L177 L179 K183 A222 F223 L224 G228	L177-M226 HydrophobicContact CD1-SD 4.32Å; L177-M226 HydrophobicContact CD2-SD 4.42Å; L179-M226 HydrophobicContact CD2-CB 4.08Å; L179-M226 HydrophobicContact CD2-CG 4.07Å; L179-M226 HydrophobicContact CD2-SD 4.48Å; K183-M226 PolarHBondContact NZ-O 3.18Å; A222-M226 VanDerWaalsContact O-CB 3.31Å; A222-M226 WeakPolarHBondContact O-CB 3.33Å; A222-M226 PolarHBondContact O-N 3.47Å; F223-M226 HydrophobicContact CD1-CE 4.23Å; F223-M226 WeakPolarHBondContact O-CB 3.42Å; F223-M226 PolarHBondContact O-N 3.47Å; L224-M226 VanDerWaalsContact C-N 3.33Å; L224-M226 PolarHBondContact O-N 3.31Å; M226-G228 VanDerWaalsContact C-N 3.27Å; M226-G228 PolarHBondContact O-N 3.47Å
227	L	98.8	Very high	98.8	Very high	143 Å²	143	52 Å²	52	75%	0.749	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.1	174.2	-64.4	173.5	0	0	0	114	F223 L224 A225	F223-L227 WeakPolarHBondContact O-CG 3.44Å; F223-L227 PolarHBondContact O-N 3.09Å; L224-L227 CarbonylContact O-C 3.27Å; L224-L227 PolarHBondContact O-N 3.29Å; A225-L227 PolarHBondContact O-N 3.17Å
228	G	98.7	Very high	98.8	Very high	45 Å²	45	53.1 Å²	53.1	46%	0.464	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	12.6	175.5	0	0	0	0	0	115.2	L224 A225 M226	L224-G228 PolarHBondContact O-N 3.01Å; A225-G228 PolarHBondContact O-N 2.7Å; M226-G228 VanDerWaalsContact C-N 3.27Å; M226-G228 PolarHBondContact O-N 3.47Å
229	L	98.8	Very high	98.8	Very high	87 Å²	87	58.7 Å²	58.7	46%	0.455	31%	0.308	S	S	.	.			trans	-61.7	140.7	168.4	-174.1	64.1	0	0	0	109.8	I190 L224	I190-L229 HydrophobicContact CD1-CB 3.89Å; I190-L229 HydrophobicContact CD1-CD2 3.86Å; I190-L229 HydrophobicContact CD1-CG 3.91Å; I190-L229 HydrophobicContact CG1-CD2 4.08Å; I190-L229 HydrophobicContact CG1-CG 4.32Å; L224-L229 HydrophobicContact CB-CB 4.15Å; L224-L229 HydrophobicContact CB-CD2 3.9Å; L224-L229 HydrophobicContact CD1-CD2 4.09Å; L224-L229 HydrophobicContact CD2-CD2 4.26Å; L224-L229 HydrophobicContact CG-CD2 4.32Å; L224-L229 WeakPolarHBondContact O-CB 3.39Å; L224-L229 PolarHBondContact O-N 3.32Å
230	Q	98.9	Very high	98.7	Very high	144 Å²	144	63.4 Å²	63.4	67%	0.673	35%	0.347	S	S	*	.			trans	-116.6	150.4	-177.7	-61.7	-179.2	-44.5	0	0	110.9	E186	E186-Q230 WeakPolarHBondContact OE2-CA 3.37Å
231	G	98.7	Very high	98.7	Very high	33 Å²	33	61.8 Å²	61.8	34%	0.34	34%	0.343	S	S	.	.			trans	-129	-161.6	172.6	0	0	0	0	0	111.9	E186 K233	E186-G231 PolarHBondContact OE2-N 3.42Å; G231-K233 PolarHBondContact O-N 3.08Å
232	N	98.7	Very high	98.7	Very high	82 Å²	82	61.8 Å²	61.8	44%	0.439	34%	0.343	S	S	.	.			trans	-75.4	122.5	179.7	-171	-43.5	0	0	0	111	Q234 V235 L238	N232-Q234 PolarHBondContact O-N 3.45Å; N232-Q234 VanDerWaalsContact O-N 3.09Å; N232-Q234 WeakPolarHBondContact OD1-CA 3.45Å; N232-Q234 PolarHBondContact OD1-N 2.94Å; N232-V235 HydrophobicContact CB-CB 4.23Å; N232-V235 WeakPolarHBondContact O-CB 3.45Å; N232-V235 PolarHBondContact O-N 3.33Å; N232-L238 WeakPolarHBondContact ND2-CD1 3.46Å
233	K	98.5	Very high	98.7	Very high	131 Å²	131	61.9 Å²	61.9	57%	0.57	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.1	-178.5	-61.1	-175.1	-179.9	-179.5	0	114.5	T7 Q185 G231	T7-K233 WeakPolarHBondContact CB-O 3.44Å; Q185-K233 PolarHBondContact NE2-O 3.4Å; G231-K233 PolarHBondContact O-N 3.08Å
234	Q	98.5	Very high	98.7	Very high	103 Å²	103	62.1 Å²	62.1	48%	0.481	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	24.1	-178.4	-68.5	179.8	-39.3	0	0	111.2	T7 N232 L236 D237 L238	T7-Q234 VanDerWaalsContact OG1-C 3.24Å; T7-Q234 WeakPolarHBondContact OG1-CA 3.23Å; N232-Q234 PolarHBondContact O-N 3.45Å; N232-Q234 VanDerWaalsContact O-N 3.09Å; N232-Q234 WeakPolarHBondContact OD1-CA 3.45Å; N232-Q234 PolarHBondContact OD1-N 2.94Å; Q234-L236 PolarHBondContact O-N 3.49Å; Q234-L236 VanDerWaalsContact O-N 3.08Å; Q234-D237 WeakPolarHBondContact CA-OD2 3.33Å; Q234-D237 HydrophobicContact CB-CB 4.08Å; Q234-D237 WeakPolarHBondContact O-CB 3.38Å; Q234-D237 PolarHBondContact O-N 2.88Å; Q234-L238 HydrophobicContact CB-CD1 4.16Å; Q234-L238 HydrophobicContact CB-CG 4.24Å; Q234-L238 VanDerWaalsContact O-CG 3.3Å; Q234-L238 WeakPolarHBondContact O-CG 3.36Å; Q234-L238 PolarHBondContact O-N 3.12Å
235	V	98.8	Very high	98.6	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.055	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32	-173.3	72.6	0	0	0	0	114.2	T7 A189 V192 N232 F242	T7-V235 HydrophobicContact CG2-CG1 3.87Å; T7-V235 PolarHBondContact OG1-N 3.07Å; A189-V235 HydrophobicContact CB-CB 4.2Å; A189-V235 HydrophobicContact CB-CG1 3.97Å; V192-V235 HydrophobicContact CB-CG2 3.75Å; V192-V235 HydrophobicContact CG1-CG2 3.7Å; V192-V235 HydrophobicContact CG2-CG1 4.25Å; V192-V235 HydrophobicContact CG2-CG2 3.69Å; N232-V235 HydrophobicContact CB-CB 4.23Å; N232-V235 WeakPolarHBondContact O-CB 3.45Å; N232-V235 PolarHBondContact O-N 3.33Å; V235-F242 PolarHBondContact O-N 3.13Å
236	L	98.8	Very high	98.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-12.8	177.3	-56	-174.6	0	0	0	113.1	I6 T7 F10 L144 L167 L188 V192 Q234 F242 Y249	I6-L236 HydrophobicContact CG2-CB 4.26Å; T7-L236 HydrophobicContact CG2-CG 4.29Å; T7-L236 WeakPolarHBondContact OG1-CB 3.38Å; T7-L236 PolarHBondContact OG1-N 3.08Å; F10-L236 HydrophobicContact CB-CD1 4.06Å; F10-L236 HydrophobicContact CD1-CD1 4.04Å; F10-L236 HydrophobicContact CD2-CD1 3.9Å; F10-L236 HydrophobicContact CE1-CD1 4.49Å; F10-L236 HydrophobicContact CE2-CD1 4.37Å; F10-L236 HydrophobicContact CG-CD1 3.71Å; L144-L236 HydrophobicContact CD2-CD1 3.99Å; L144-L236 HydrophobicContact CD2-CD2 4.01Å; L167-L236 HydrophobicContact CD2-CD2 3.76Å; L188-L236 HydrophobicContact CD1-CD1 4.4Å; V192-L236 HydrophobicContact CG2-CD2 4.37Å; Q234-L236 PolarHBondContact O-N 3.49Å; Q234-L236 VanDerWaalsContact O-N 3.08Å; L236-F242 HydrophobicContact CD2-CB 3.75Å; L236-F242 HydrophobicContact CD2-CD1 4.1Å; L236-F242 HydrophobicContact CD2-CD2 4.5Å; L236-F242 HydrophobicContact CD2-CG 3.88Å; L236-Y249 VanDerWaalsContact O-CE1 3.32Å; L236-Y249 WeakPolarHBondContact O-CE1 3.25Å; L236-Y249 PolarHBondContact O-OH 2.71Å
237	D	98.7	Very high	98.5	Very high	46 Å²	46	61.3 Å²	61.3	25%	0.246	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-21.8	-179.7	-55.4	-112.8	0	0	0	111.4	S5 I6 T7 Q234	S5-D237 WeakPolarHBondContact CB-OD1 3.33Å; I6-D237 WeakPolarHBondContact CB-OD1 3.27Å; I6-D237 PolarHBondContact N-OD1 2.9Å; T7-D237 WeakPolarHBondContact CB-OD2 3.37Å; T7-D237 PolarHBondContact N-OD2 3.04Å; T7-D237 PolarHBondContact OG1-OD2 3.21Å; Q234-D237 WeakPolarHBondContact CA-OD2 3.33Å; Q234-D237 HydrophobicContact CB-CB 4.08Å; Q234-D237 WeakPolarHBondContact O-CB 3.38Å; Q234-D237 PolarHBondContact O-N 2.88Å
238	L	98.5	Very high	98.4	Very high	60 Å²	60	60.4 Å²	60.4	31%	0.314	36%	0.355	S	S	.	.			trans	-99.3	135	-167.3	-63.8	168.9	0	0	0	112.9	N232 Q234 A240 G241 G243	N232-L238 WeakPolarHBondContact ND2-CD1 3.46Å; Q234-L238 HydrophobicContact CB-CD1 4.16Å; Q234-L238 HydrophobicContact CB-CG 4.24Å; Q234-L238 VanDerWaalsContact O-CG 3.3Å; Q234-L238 WeakPolarHBondContact O-CG 3.36Å; Q234-L238 PolarHBondContact O-N 3.12Å; L238-A240 VanDerWaalsContact C-N 3.27Å; L238-A240 PolarHBondContact O-N 3.24Å; L238-G241 WeakPolarHBondContact O-CA 3.49Å; L238-G241 PolarHBondContact O-N 3.28Å; L238-G243 PolarHBondContact O-N 3.48Å
239	E	98.1	Very high	98.4	Very high	116 Å²	116	59 Å²	59	54%	0.542	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-40.4	167	-68.6	-69.5	177.8	0	0	111.9	G241 G243 A244 Y249	E239-G241 PolarHBondContact O-N 3.33Å; E239-G243 CarbonylContact O-C 3.59Å; E239-G243 WeakPolarHBondContact O-CA 3.45Å; E239-A244 PolarHBondContact O-N 3.01Å; E239-Y249 WeakPolarHBondContact OE2-CB 3.45Å
240	A	98.1	Very high	98.4	Very high	100 Å²	100	58.2 Å²	58.2	83%	0.826	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.7	175.9	0	0	0	0	0	113.7	L238	L238-A240 VanDerWaalsContact C-N 3.27Å; L238-A240 PolarHBondContact O-N 3.24Å
241	G	98.6	Very high	98.3	Very high	15 Å²	15	52.9 Å²	52.9	16%	0.155	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-123.6	172.6	0	0	0	0	0	110.3	L238 E239 G243 A244	L238-G241 WeakPolarHBondContact O-CA 3.49Å; L238-G241 PolarHBondContact O-N 3.28Å; E239-G241 PolarHBondContact O-N 3.33Å; G241-G243 PolarHBondContact O-N 2.59Å; G241-A244 WeakPolarHBondContact O-CB 3.45Å; G241-A244 PolarHBondContact O-N 3.3Å
242	F	98.8	Very high	98.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-63.2	-23.3	176.1	-171.6	-112.7	0	0	0	113.1	L144 V163 V164 L167 V192 V235 L236 A244 F245 Y246 Y249	L144-F242 HydrophobicContact CB-CE1 3.93Å; L144-F242 HydrophobicContact CB-CZ 4.16Å; L144-F242 HydrophobicContact CD1-CE1 4.35Å; L144-F242 HydrophobicContact CD1-CZ 4.09Å; L144-F242 HydrophobicContact CD2-CD1 4.15Å; L144-F242 HydrophobicContact CD2-CE1 3.73Å; L144-F242 HydrophobicContact CD2-CZ 4.29Å; L144-F242 HydrophobicContact CG-CE1 4.2Å; L144-F242 HydrophobicContact CG-CZ 4.41Å; V163-F242 HydrophobicContact CG1-CD2 4.5Å; V163-F242 HydrophobicContact CG1-CE2 3.46Å; V163-F242 VanDerWaalsContact CG1-CE2 3.46Å; V163-F242 HydrophobicContact CG1-CZ 3.57Å; V164-F242 HydrophobicContact CG1-CZ 4.03Å; L167-F242 HydrophobicContact CD1-CD2 4.25Å; L167-F242 HydrophobicContact CD1-CE2 3.79Å; L167-F242 HydrophobicContact CD2-CD2 4.1Å; L167-F242 HydrophobicContact CD2-CE2 3.95Å; L167-F242 HydrophobicContact CD2-CZ 4.39Å; V192-F242 HydrophobicContact CG1-CB 4.4Å; V192-F242 HydrophobicContact CG1-CD2 4.45Å; V192-F242 HydrophobicContact CG2-CB 4.25Å; V192-F242 HydrophobicContact CG2-CD2 3.96Å; V192-F242 HydrophobicContact CG2-CG 4.49Å; V235-F242 PolarHBondContact O-N 3.13Å; L236-F242 HydrophobicContact CD2-CB 3.75Å; L236-F242 HydrophobicContact CD2-CD1 4.1Å; L236-F242 HydrophobicContact CD2-CD2 4.5Å; L236-F242 HydrophobicContact CD2-CG 3.88Å; F242-A244 PolarHBondContact O-N 2.78Å; F242-A244 VanDerWaalsContact O-N 3.16Å; F242-F245 AromaticContact CD2-CD2 3.76Å; F242-F245 HydrophobicContact CD2-CD2 3.76Å; F242-F245 HydrophobicContact CD2-CE2 4.02Å; F242-F245 HydrophobicContact CE2-CD2 4.02Å; F242-F245 HydrophobicContact CE2-CE2 4.43Å; F242-F245 HydrophobicContact CG-CD2 4.49Å; F242-F245 WeakPolarHBondContact O-CD2 3.34Å; F242-F245 PolarHBondContact O-N 2.8Å; F242-Y246 AromaticContact CD1-CE2 3.97Å; F242-Y246 HydrophobicContact CD1-CE2 3.97Å; F242-Y246 HydrophobicContact CE1-CD2 4.41Å; F242-Y246 AromaticContact CE1-CE2 3.43Å; F242-Y246 HydrophobicContact CE1-CE2 3.43Å; F242-Y246 VanDerWaalsContact CE1-CE2 3.43Å; F242-Y246 AromaticContact CZ-CE2 3.86Å; F242-Y246 HydrophobicContact CZ-CE2 3.86Å; F242-Y249 AromaticContact CD1-CE2 3.85Å; F242-Y249 HydrophobicContact CD1-CE2 3.85Å; F242-Y249 AromaticContact CD1-CZ 3.98Å; F242-Y249 WeakPolarHBondContact CD1-OH 3.13Å; F242-Y249 HydrophobicContact CE1-CE2 4.45Å
243	G	98.5	Very high	98.2	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.01	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-59.4	-22.7	175.3	0	0	0	0	0	114.2	L238 E239 G241 F245 Y246 Y249	L238-G243 PolarHBondContact O-N 3.48Å; E239-G243 CarbonylContact O-C 3.59Å; E239-G243 WeakPolarHBondContact O-CA 3.45Å; G241-G243 PolarHBondContact O-N 2.59Å; G243-F245 PolarHBondContact O-N 3.4Å; G243-Y246 PolarHBondContact O-N 3.46Å; G243-Y246 VanDerWaalsContact O-O 3.08Å; G243-Y249 VanDerWaalsContact CA-CD1 3.43Å; G243-Y249 VanDerWaalsContact CA-CG 3.41Å
244	A	98.7	Very high	98	Very high	48 Å²	48	52.8 Å²	52.8	40%	0.397	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-60.5	-20.8	-178.6	0	0	0	0	0	113.9	R157 E239 G241 F242	R157-A244 PolarHBondContact NH1-O 2.89Å; E239-A244 PolarHBondContact O-N 3.01Å; G241-A244 WeakPolarHBondContact O-CB 3.45Å; G241-A244 PolarHBondContact O-N 3.3Å; F242-A244 PolarHBondContact O-N 2.78Å; F242-A244 VanDerWaalsContact O-N 3.16Å
245	F	98.6	Very high	97.7	Very high	31 Å²	31	49.8 Å²	49.8	14%	0.136	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-85.7	-12.3	177.8	-56.3	-59.2	0	0	0	114.1	F158 V163 V192 A195 F242 G243	F158-F245 HydrophobicContact CD1-CD1 4.35Å; F158-F245 HydrophobicContact CD2-CB 4.17Å; F158-F245 HydrophobicContact CD2-CD1 4.06Å; F158-F245 WeakPolarHBondContact CD2-O 3.39Å; F158-F245 HydrophobicContact CE1-CD1 4.22Å; F158-F245 HydrophobicContact CE2-CB 4.49Å; F158-F245 AromaticContact CE2-CD1 3.89Å; F158-F245 HydrophobicContact CE2-CD1 3.89Å; F158-F245 HydrophobicContact CG-CD1 4.28Å; F158-F245 AromaticContact CZ-CD1 3.98Å; F158-F245 HydrophobicContact CZ-CD1 3.98Å; F158-F245 HydrophobicContact CZ-CE1 4.5Å; V163-F245 HydrophobicContact CG1-CB 3.88Å; V163-F245 HydrophobicContact CG1-CD2 3.86Å; V163-F245 HydrophobicContact CG1-CG 3.98Å; V163-F245 HydrophobicContact CG2-CB 4.23Å; V163-F245 HydrophobicContact CG2-CD1 4.43Å; V163-F245 HydrophobicContact CG2-CG 4.23Å; V192-F245 HydrophobicContact CG1-CE2 4.25Å; A195-F245 HydrophobicContact CB-CE2 4.11Å; A195-F245 HydrophobicContact CB-CZ 4.13Å; A195-F245 WeakPolarHBondContact O-CE1 3.44Å; A195-F245 VanDerWaalsContact O-CZ 3.26Å; A195-F245 WeakPolarHBondContact O-CZ 3.5Å; F242-F245 AromaticContact CD2-CD2 3.76Å; F242-F245 HydrophobicContact CD2-CD2 3.76Å; F242-F245 HydrophobicContact CD2-CE2 4.02Å; F242-F245 HydrophobicContact CE2-CD2 4.02Å; F242-F245 HydrophobicContact CE2-CE2 4.43Å; F242-F245 HydrophobicContact CG-CD2 4.49Å; F242-F245 WeakPolarHBondContact O-CD2 3.34Å; F242-F245 PolarHBondContact O-N 2.8Å; G243-F245 PolarHBondContact O-N 3.4Å
246	Y	98.4	Very high	97.4	Very high	21 Å²	21	55.1 Å²	55.1	8%	0.082	33%	0.327	C	S	.	.			trans	-112.5	148.4	-178.5	-65.2	-85.5	0	0	0	110.5	A148 E150 A151 V163 V164 F242 G243 Y249	A148-Y246 HydrophobicContact CB-CD1 3.32Å; A148-Y246 HydrophobicContact CB-CE1 3.96Å; A148-Y246 HydrophobicContact CB-CG 3.95Å; E150-Y246 HydrophobicContact CG-CD1 4.38Å; E150-Y246 WeakPolarHBondContact OE1-CA 3.34Å; A151-Y246 HydrophobicContact CB-CE1 4.26Å; V163-Y246 HydrophobicContact CG1-CE2 4.4Å; V164-Y246 WeakPolarHBondContact CG1-OH 3.37Å; F242-Y246 AromaticContact CD1-CE2 3.97Å; F242-Y246 HydrophobicContact CD1-CE2 3.97Å; F242-Y246 HydrophobicContact CE1-CD2 4.41Å; F242-Y246 AromaticContact CE1-CE2 3.43Å; F242-Y246 HydrophobicContact CE1-CE2 3.43Å; F242-Y246 VanDerWaalsContact CE1-CE2 3.43Å; F242-Y246 AromaticContact CZ-CE2 3.86Å; F242-Y246 HydrophobicContact CZ-CE2 3.86Å; G243-Y246 PolarHBondContact O-N 3.46Å; G243-Y246 VanDerWaalsContact O-O 3.08Å; Y246-Y249 AromaticContact CD2-CD2 3.62Å; Y246-Y249 HydrophobicContact CD2-CD2 3.62Å; Y246-Y249 AromaticContact CD2-CE2 3.84Å; Y246-Y249 HydrophobicContact CD2-CE2 3.84Å; Y246-Y249 HydrophobicContact CE2-CD2 4.38Å; Y246-Y249 HydrophobicContact CE2-CE2 4.2Å; Y246-Y249 AromaticContact CG-CD2 3.97Å; Y246-Y249 HydrophobicContact CG-CD2 3.97Å
247	A	96.9	Very high	97.1	Very high	73 Å²	73	57.1 Å²	57.1	60%	0.603	34%	0.338	S	S	*	.	S	Bend	trans	-80.6	-37.8	175.2	0	0	0	0	0	111.8	E150	E150-A247 PolarHBondContact OE1-N 3.19Å; E150-A247 WeakPolarHBondContact OE2-CA 3.35Å; E150-A247 WeakPolarHBondContact OE2-CB 3.2Å; E150-A247 PolarHBondContact OE2-N 2.96Å; E150-A247 VanDerWaalsContact OE2-N 3.14Å
248	N	96.5	Very high	96.6	Very high	124 Å²	124	62.9 Å²	62.9	66%	0.663	37%	0.368	S	S	*	.	S	Bend	trans	-128.1	89.1	175.6	-61.7	-77.5	0	0	0	110.4	A148 E150	A148-N248 WeakPolarHBondContact CB-O 3.37Å; E150-N248 PolarHBondContact OE2-N 2.54Å
249	Y	98.4	Very high	96.1	Very high	14 Å²	14	64 Å²	64	6%	0.055	38%	0.381	C	S	.	.			trans	-83.8	127.7	-176.4	-165.6	-122.3	0	0	0	111.5	F147 L236 E239 F242 G243 Y246 P251	F147-Y249 HydrophobicContact CB-CD2 4.06Å; F147-Y249 HydrophobicContact CB-CE2 3.69Å; F147-Y249 AromaticContact CD2-CE2 3.61Å; F147-Y249 HydrophobicContact CD2-CE2 3.61Å; F147-Y249 AromaticContact CD2-CZ 3.68Å; F147-Y249 WeakPolarHBondContact CD2-OH 3.31Å; F147-Y249 WeakPolarHBondContact CE2-OH 3.47Å; F147-Y249 HydrophobicContact CG-CE2 4.14Å; L236-Y249 VanDerWaalsContact O-CE1 3.32Å; L236-Y249 WeakPolarHBondContact O-CE1 3.25Å; L236-Y249 PolarHBondContact O-OH 2.71Å; E239-Y249 WeakPolarHBondContact OE2-CB 3.45Å; F242-Y249 AromaticContact CD1-CE2 3.85Å; F242-Y249 HydrophobicContact CD1-CE2 3.85Å; F242-Y249 AromaticContact CD1-CZ 3.98Å; F242-Y249 WeakPolarHBondContact CD1-OH 3.13Å; F242-Y249 HydrophobicContact CE1-CE2 4.45Å; G243-Y249 VanDerWaalsContact CA-CD1 3.43Å; G243-Y249 VanDerWaalsContact CA-CG 3.41Å; Y246-Y249 AromaticContact CD2-CD2 3.62Å; Y246-Y249 HydrophobicContact CD2-CD2 3.62Å; Y246-Y249 AromaticContact CD2-CE2 3.84Å; Y246-Y249 HydrophobicContact CD2-CE2 3.84Å; Y246-Y249 HydrophobicContact CE2-CD2 4.38Å; Y246-Y249 HydrophobicContact CE2-CE2 4.2Å; Y246-Y249 AromaticContact CG-CD2 3.97Å; Y246-Y249 HydrophobicContact CG-CD2 3.97Å; Y249-P251 HydrophobicContact CD1-CB 4.41Å; Y249-P251 HydrophobicContact CD1-CG 3.91Å; Y249-P251 HydrophobicContact CE1-CB 3.72Å; Y249-P251 HydrophobicContact CE1-CG 3.5Å; Y249-P251 HydrophobicContact CE2-CB 4.44Å
250	S	98.3	Very high	96	Very high	72 Å²	72	60 Å²	60	50%	0.503	36%	0.362	S	S	.	.			trans	-141.5	71.5	-178	-167.3	0	0	0	0	109.7	F147	F147-S250 CarbonylContact O-C 3.49Å; F147-S250 VanDerWaalsContact O-CA 3.32Å; F147-S250 WeakPolarHBondContact O-CA 3.45Å; F147-S250 WeakPolarHBondContact O-CB 3.47Å; F147-S250 PolarHBondContact O-N 3.33Å
251	P	97.8	Very high	95.9	Very high	32 Å²	32	58.3 Å²	58.3	21%	0.208	34%	0.344	C	S	.	.			trans	-72.4	153.4	-172.7	34.9	-39.1	0	0	0	111.2	I6 F147 Y249	I6-P251 HydrophobicContact CD1-CB 3.54Å; I6-P251 HydrophobicContact CD1-CG 3.56Å; I6-P251 HydrophobicContact CG2-CB 4.35Å; F147-P251 HydrophobicContact CD1-CB 4.24Å; F147-P251 HydrophobicContact CD2-CB 3.69Å; F147-P251 HydrophobicContact CE1-CB 4.25Å; F147-P251 HydrophobicContact CE2-CB 3.67Å; F147-P251 HydrophobicContact CG-CB 3.94Å; F147-P251 HydrophobicContact CZ-CB 3.93Å; Y249-P251 HydrophobicContact CD1-CB 4.41Å; Y249-P251 HydrophobicContact CD1-CG 3.91Å; Y249-P251 HydrophobicContact CE1-CB 3.72Å; Y249-P251 HydrophobicContact CE1-CG 3.5Å; Y249-P251 HydrophobicContact CE2-CB 4.44Å
252	K	96.8	Very high	95.9	Very high	145 Å²	145	57.8 Å²	57.8	63%	0.63	34%	0.337	S	S	*	.			trans	-138.1	146.8	179.9	-65.1	-176.1	-179.5	-177.9	0	111	I6 F147	I6-K252 WeakPolarHBondContact CG2-O 3.34Å; F147-K252 HydrophobicContact CE1-CB 4.44Å; F147-K252 VanDerWaalsContact CE1-O 3.25Å; F147-K252 WeakPolarHBondContact CE1-O 3.2Å; F147-K252 WeakPolarHBondContact CZ-O 3.19Å
253	V	97	Very high	95.9	Very high	86 Å²	86	58.9 Å²	58.9	52%	0.521	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-62.8	148.8	172	-63.5	0	0	0	0	111	I6	I6-V253 HydrophobicContact CG1-CG1 3.89Å
254	L	95.8	Very high	95.9	Very high	12 Å²	12	59 Å²	59	6%	0.063	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-74.8	155	172.3	-64.3	-169.2	0	0	0	111.9	S9 F10 T13 R143	S9-L254 PolarHBondContact OG-N 3.13Å; S9-L254 VanDerWaalsContact OG-N 3.09Å; F10-L254 HydrophobicContact CB-CD1 4.39Å; F10-L254 HydrophobicContact CD1-CD1 3.96Å; F10-L254 HydrophobicContact CD2-CD1 3.79Å; F10-L254 HydrophobicContact CD2-CD2 4.19Å; F10-L254 HydrophobicContact CD2-CG 3.63Å; F10-L254 HydrophobicContact CE1-CD1 4.13Å; F10-L254 HydrophobicContact CE1-CD2 4.3Å; F10-L254 HydrophobicContact CE1-CG 4.48Å; F10-L254 HydrophobicContact CE2-CD1 3.96Å; F10-L254 HydrophobicContact CE2-CD2 3.54Å; F10-L254 HydrophobicContact CE2-CG 3.51Å; F10-L254 HydrophobicContact CG-CD1 3.8Å; F10-L254 HydrophobicContact CG-CG 4.18Å; F10-L254 HydrophobicContact CZ-CD1 4.16Å; F10-L254 HydrophobicContact CZ-CD2 3.64Å; F10-L254 HydrophobicContact CZ-CG 4Å; T13-L254 HydrophobicContact CG2-CD1 3.89Å; R143-L254 HydrophobicContact CB-CD2 3.66Å; R143-L254 HydrophobicContact CG-CD2 3.49Å; R143-L254 VanDerWaalsContact CG-CD2 3.49Å
255	P	92.5	Very high	95.9	Very high	41 Å²	41	57.7 Å²	57.7	27%	0.266	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-62.7	157.6	172.7	27.3	-34.5	0	0	0	111.7	Y260	P255-Y260 HydrophobicContact CG-CD2 3.96Å; P255-Y260 HydrophobicContact CG-CE2 3.93Å
256	N	91.2	Very high	95.9	Very high	121 Å²	121	63.6 Å²	63.6	65%	0.647	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-66.8	155.9	173.4	-67.9	-27.4	0	0	0	111.2	D258 S259 Y260	N256-D258 PolarHBondContact O-N 3.19Å; N256-S259 CarbonylContact O-C 3.49Å; N256-S259 PolarHBondContact O-N 3.19Å; N256-Y260 PolarHBondContact O-N 3.2Å; N256-Y260 VanDerWaalsContact O-N 3.17Å
257	L	92.8	Very high	95.9	Very high	42 Å²	42	64.3 Å²	64.3	22%	0.22	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-65.7	-36.8	-176.8	-65.3	174.1	0	0	0	113.2	L17 S259 Y260	L17-L257 HydrophobicContact CD2-CD2 3.84Å; L17-L257 HydrophobicContact CG-CD2 3.85Å; L257-S259 PolarHBondContact O-N 3.13Å; L257-S259 VanDerWaalsContact O-N 3.13Å; L257-Y260 HydrophobicContact CD2-CD2 4.31Å; L257-Y260 WeakPolarHBondContact O-CB 3.3Å; L257-Y260 PolarHBondContact O-N 3.41Å; L257-Y260 VanDerWaalsContact O-N 3.15Å
258	D	89.3	Confident	96	Very high	166 Å²	166	61.6 Å²	61.6	89%	0.888	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63	-21.3	-179	-55.8	-31.1	0	0	0	113.2	N256	N256-D258 PolarHBondContact O-N 3.19Å
259	S	87.7	Confident	96.1	Very high	85 Å²	85	55.8 Å²	55.8	59%	0.594	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-127.6	31.3	178.1	57.5	0	0	0	0	111.8	N256 L257 S261	N256-S259 CarbonylContact O-C 3.49Å; N256-S259 PolarHBondContact O-N 3.19Å; L257-S259 PolarHBondContact O-N 3.13Å; L257-S259 VanDerWaalsContact O-N 3.13Å; S259-S261 PolarHBondContact O-N 2.85Å
260	Y	95.4	Very high	96.2	Very high	32 Å²	32	55.1 Å²	55.1	13%	0.125	30%	0.303	C	S	.	.			trans	-65.7	133.6	-177.9	-153	-97.4	0	0	0	111.1	T13 L17 E139 P255 N256 L257 W262	T13-Y260 HydrophobicContact CG2-CD2 4.36Å; T13-Y260 HydrophobicContact CG2-CE2 3.38Å; T13-Y260 VanDerWaalsContact CG2-OH 3.26Å; T13-Y260 WeakPolarHBondContact CG2-OH 3.09Å; L17-Y260 HydrophobicContact CD1-CD1 4.47Å; L17-Y260 HydrophobicContact CD1-CE1 3.93Å; L17-Y260 HydrophobicContact CD2-CD1 3.67Å; L17-Y260 HydrophobicContact CD2-CD2 4.29Å; L17-Y260 HydrophobicContact CD2-CE1 3.99Å; L17-Y260 HydrophobicContact CD2-CG 3.83Å; E139-Y260 HydrophobicContact CG-CE1 3.99Å; E139-Y260 WeakPolarHBondContact CG-OH 3.17Å; E139-Y260 PolarHBondContact OE1-OH 2.82Å; E139-Y260 VanDerWaalsContact OE1-OH 3.12Å; P255-Y260 HydrophobicContact CG-CD2 3.96Å; P255-Y260 HydrophobicContact CG-CE2 3.93Å; N256-Y260 PolarHBondContact O-N 3.2Å; N256-Y260 VanDerWaalsContact O-N 3.17Å; L257-Y260 HydrophobicContact CD2-CD2 4.31Å; L257-Y260 WeakPolarHBondContact O-CB 3.3Å; L257-Y260 PolarHBondContact O-N 3.41Å; L257-Y260 VanDerWaalsContact O-N 3.15Å; Y260-W262 HydrophobicContact CD1-CD2 4.27Å; Y260-W262 HydrophobicContact CE1-CD2 4.07Å; Y260-W262 HydrophobicContact CE1-CE3 4.04Å; Y260-W262 HydrophobicContact CE1-CZ3 4.31Å
261	S	96.6	Very high	96.2	Very high	64 Å²	64	51.8 Å²	51.8	45%	0.448	28%	0.279	S	S	.	.			trans	-129.3	125.1	175.6	46.8	0	0	0	0	108.5	R143 S259	R143-S261 PolarHBondContact NH2-O 3.47Å; S259-S261 PolarHBondContact O-N 2.85Å
262	W	98.7	Very high	96.3	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.011	27%	0.27	C	S	.	.			trans	-75	140.2	-179.8	-59.9	93.9	0	0	0	110.8	L17 H21 L22 V26 N135 V136 E139 Y260 L264 D265	L17-W262 HydrophobicContact CD1-CH2 3.66Å; L17-W262 HydrophobicContact CD1-CZ2 4.28Å; L17-W262 HydrophobicContact CD1-CZ3 4.08Å; L17-W262 HydrophobicContact CD2-CH2 4.25Å; L17-W262 HydrophobicContact CD2-CZ2 4.02Å; L17-W262 HydrophobicContact CG-CH2 4.41Å; H21-W262 HydrophobicContact CB-CZ2 4.39Å; H21-W262 PolarHBondContact O-NE1 2.99Å; L22-W262 HydrophobicContact CD2-CH2 4.33Å; L22-W262 HydrophobicContact CD2-CZ2 3.92Å; V26-W262 HydrophobicContact CG1-CD2 4.44Å; V26-W262 HydrophobicContact CG1-CG 4.39Å; V26-W262 HydrophobicContact CG2-CB 3.44Å; V26-W262 VanDerWaalsContact CG2-CB 3.44Å; V26-W262 HydrophobicContact CG2-CD2 4.47Å; V26-W262 HydrophobicContact CG2-CG 3.63Å; N135-W262 HydrophobicContact CB-CE3 4.33Å; N135-W262 HydrophobicContact CB-CH2 4.16Å; N135-W262 HydrophobicContact CB-CZ3 3.88Å; N135-W262 WeakPolarHBondContact O-CZ3 3.33Å; V136-W262 HydrophobicContact CG2-CH2 4.21Å; E139-W262 HydrophobicContact CB-CE3 3.79Å; E139-W262 HydrophobicContact CB-CZ3 3.77Å; E139-W262 HydrophobicContact CG-CE3 3.87Å; E139-W262 HydrophobicContact CG-CZ3 4.04Å; Y260-W262 HydrophobicContact CD1-CD2 4.27Å; Y260-W262 HydrophobicContact CE1-CD2 4.07Å; Y260-W262 HydrophobicContact CE1-CE3 4.04Å; Y260-W262 HydrophobicContact CE1-CZ3 4.31Å; W262-L264 PolarHBondContact O-N 3.46Å; W262-D265 WeakPolarHBondContact O-CB 3.32Å; W262-D265 PolarHBondContact O-N 3.28Å
263	L	98.8	Very high	96.3	Very high	24 Å²	24	50 Å²	50	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-37.2	171.3	-69.7	176	0	0	0	111	W98 E139 R143 D265 Q266 Q267	W98-L263 HydrophobicContact CH2-CB 3.79Å; W98-L263 HydrophobicContact CH2-CD1 4.35Å; W98-L263 HydrophobicContact CZ2-CB 3.99Å; E139-L263 PolarHBondContact OE2-N 3.13Å; R143-L263 HydrophobicContact CG-CD1 3.87Å; L263-D265 PolarHBondContact O-N 2.72Å; L263-Q266 PolarHBondContact O-N 3.37Å; L263-Q267 PolarHBondContact O-N 3.45Å
264	L	98.8	Very high	96.4	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-16.5	179.3	-168	65.1	0	0	0	112.9	V26 R29 M33 W98 N135 W262 Q266	V26-L264 HydrophobicContact CG1-CD2 4.39Å; V26-L264 HydrophobicContact CG2-CB 4.32Å; R29-L264 HydrophobicContact CB-CD1 4.17Å; R29-L264 HydrophobicContact CB-CD2 3.84Å; R29-L264 HydrophobicContact CB-CG 3.87Å; R29-L264 WeakPolarHBondContact CD-O 3.42Å; R29-L264 PolarHBondContact NH1-O 3.28Å; M33-L264 HydrophobicContact SD-CD1 3.83Å; M33-L264 HydrophobicContact SD-CD2 3.75Å; M33-L264 HydrophobicContact SD-CG 4.46Å; W98-L264 HydrophobicContact CZ2-CB 4.22Å; W98-L264 HydrophobicContact CZ2-CD1 4.12Å; N135-L264 WeakPolarHBondContact OD1-CD2 3.24Å; W262-L264 PolarHBondContact O-N 3.46Å; L264-Q266 VanDerWaalsContact C-N 3.33Å
265	D	98.5	Very high	96.5	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.112	24%	0.239	C	C	.	.	H	α-helix	trans	-71.3	-29.8	170.3	-91.5	-39	0	0	0	112.9	T23 R25 V26 R29 W262 L263	T23-D265 WeakPolarHBondContact CG2-OD2 3.46Å; T23-D265 PolarHBondContact OG1-OD1 2.99Å; T23-D265 PolarHBondContact OG1-OD2 3.17Å; R25-D265 VanDerWaalsContact CB-OD1 3.24Å; R25-D265 WeakPolarHBondContact CB-OD1 3.39Å; R25-D265 VanDerWaalsContact CD-O 3.22Å; R25-D265 WeakPolarHBondContact CD-O 3.43Å; R25-D265 WeakPolarHBondContact CD-OD1 3.45Å; R25-D265 WeakPolarHBondContact CG-OD1 3.39Å; R25-D265 PolarHBondContact NH1-O 3.42Å; R25-D265 VanDerWaalsContact NH1-O 3.1Å; V26-D265 HydrophobicContact CG2-CB 4.34Å; R29-D265 PolarHBondContact NH1-O 3.46Å; W262-D265 WeakPolarHBondContact O-CB 3.32Å; W262-D265 PolarHBondContact O-N 3.28Å; L263-D265 PolarHBondContact O-N 2.72Å
266	Q	98.4	Very high	96.8	Very high	155 Å²	155	44 Å²	44	72%	0.724	23%	0.227	S	C	*	.	H	α-helix	trans	-104.5	-25.2	-172.7	-56.7	-55.9	-46.6	0	0	112.7	L263 L264	L263-Q266 PolarHBondContact O-N 3.37Å; L264-Q266 VanDerWaalsContact C-N 3.33Å
267	Q	98.8	Very high	97.2	Very high	36 Å²	36	38.4 Å²	38.4	17%	0.168	20%	0.197	C	C	.	.			trans	-132.1	110.5	-177.4	177.4	59	69.8	0	0	110.1	W98 H99 L263 W409	W98-Q267 PolarHBondContact NE1-O 3.08Å; H99-Q267 HydrophobicContact CB-CG 4.03Å; H99-Q267 WeakPolarHBondContact O-CG 3.49Å; L263-Q267 PolarHBondContact O-N 3.45Å; Q267-W409 VanDerWaalsContact NE2-CD2 3.34Å; Q267-W409 VanDerWaalsContact NE2-CG 3.32Å
268	D	98.8	Very high	97.5	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.091	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-76.4	167.4	174.5	-142.9	-24.8	0	0	0	112.1	R29 W98 W409	R29-D268 WeakPolarHBondContact CD-OD1 3.39Å; R29-D268 IonicContact CZ-OD2 2.76Å; R29-D268 IonicContact NE-OD1 3.42Å; R29-D268 PolarHBondContact NE-OD1 3.11Å; R29-D268 IonicContact NE-OD2 2.7Å; R29-D268 PolarHBondContact NE-OD2 3.45Å; R29-D268 IonicContact NH2-OD2 3.64Å; R29-D268 PolarHBondContact NH2-OD2 3.46Å; W98-D268 VanDerWaalsContact CD1-O 3.23Å; D268-W409 HydrophobicContact CB-CB 3.75Å
269	V	98.9	Very high	97.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-86.8	161.8	168.6	-63.7	0	0	0	0	111.6	M33 D96 T97 W98 P104 F271	M33-V269 HydrophobicContact CE-CG1 3.86Å; M33-V269 HydrophobicContact CG-CG1 4.1Å; M33-V269 HydrophobicContact CG-CG2 3.64Å; M33-V269 HydrophobicContact SD-CG1 3.87Å; M33-V269 HydrophobicContact SD-CG2 4.3Å; D96-V269 HydrophobicContact CB-CB 4.42Å; T97-V269 CarbonylContact O-C 3.56Å; T97-V269 WeakPolarHBondContact O-CA 3.3Å; W98-V269 HydrophobicContact CB-CG1 4.26Å; W98-V269 VanDerWaalsContact CD1-CG1 3.47Å; W98-V269 HydrophobicContact CG-CG1 3.92Å; P104-V269 HydrophobicContact CG-CG1 4.49Å; V269-F271 HydrophobicContact CG2-CD1 4.37Å; V269-F271 HydrophobicContact CG2-CD2 4.48Å; V269-F271 HydrophobicContact CG2-CE1 3.7Å; V269-F271 HydrophobicContact CG2-CE2 3.82Å; V269-F271 HydrophobicContact CG2-CZ 3.38Å
270	A	98.9	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-100.1	133.2	165.9	0	0	0	0	0	109.5	T97 L278 G407 W409	T97-A270 PolarHBondContact N-O 2.66Å; T97-A270 PolarHBondContact O-N 3.15Å; A270-L278 HydrophobicContact CB-CD1 4.12Å; A270-L278 HydrophobicContact CB-CD2 4.02Å; A270-G407 CarbonylContact C-O 3.6Å; A270-G407 VanDerWaalsContact CA-O 3.23Å; A270-G407 WeakPolarHBondContact CA-O 3.44Å; A270-W409 HydrophobicContact CB-CE3 3.69Å; A270-W409 HydrophobicContact CB-CZ3 3.95Å
271	F	98.9	Very high	98.6	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-102.2	124.6	172.8	-64.6	-59.5	0	0	0	109.9	R32 M33 D36 D96 V269 G407 L413 L418	R32-F271 HydrophobicContact CB-CE2 4Å; R32-F271 HydrophobicContact CB-CZ 3.85Å; M33-F271 HydrophobicContact CG-CE1 4.41Å; M33-F271 HydrophobicContact CG-CZ 4.14Å; D36-F271 HydrophobicContact CB-CD1 3.67Å; D36-F271 HydrophobicContact CB-CE1 3.52Å; D36-F271 HydrophobicContact CB-CZ 4.45Å; D36-F271 WeakPolarHBondContact OD2-CD1 3.4Å; D96-F271 HydrophobicContact CB-CD1 4.11Å; D96-F271 HydrophobicContact CB-CE1 4Å; V269-F271 HydrophobicContact CG2-CD1 4.37Å; V269-F271 HydrophobicContact CG2-CD2 4.48Å; V269-F271 HydrophobicContact CG2-CE1 3.7Å; V269-F271 HydrophobicContact CG2-CE2 3.82Å; V269-F271 HydrophobicContact CG2-CZ 3.38Å; F271-G407 PolarHBondContact N-O 3.32Å; F271-G407 WeakPolarHBondContact O-CA 3.28Å; F271-L413 HydrophobicContact CB-CD1 3.78Å; F271-L413 HydrophobicContact CB-CG 4.19Å; F271-L418 HydrophobicContact CB-CD1 4.42Å; F271-L418 HydrophobicContact CD1-CD1 4.28Å; F271-L418 HydrophobicContact CD2-CD1 4.12Å; F271-L418 HydrophobicContact CE2-CD1 4.48Å; F271-L418 HydrophobicContact CE2-CD2 4.2Å; F271-L418 HydrophobicContact CG-CD1 4.01Å; F271-L418 HydrophobicContact CZ-CD2 4.44Å
272	K	98.9	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-72.2	143.3	178.5	-71	173.7	178.1	175.2	0	110.5	D93 F94 D95 A276 L278 H281 K421	D93-K272 WeakPolarHBondContact O-CD 3.46Å; D93-K272 WeakPolarHBondContact O-CE 3.14Å; D93-K272 PolarHBondContact O-NZ 3.12Å; D93-K272 IonicContact OD1-NZ 2.76Å; D93-K272 IonicContact OD2-NZ 3.81Å; D93-K272 PolarHBondContact OD2-NZ 3.15Å; F94-K272 HydrophobicContact CD2-CB 3.75Å; F94-K272 HydrophobicContact CE2-CB 4.07Å; F94-K272 WeakPolarHBondContact CE2-O 3.49Å; D95-K272 WeakPolarHBondContact O-CD 3.35Å; K272-A276 WeakPolarHBondContact CD-O 3.48Å; K272-A276 WeakPolarHBondContact CE-O 3.18Å; K272-A276 PolarHBondContact NZ-O 3.41Å; K272-L278 HydrophobicContact CG-CD1 3.7Å; K272-H281 WeakPolarHBondContact CA-NE2 3.33Å; K272-H281 WeakPolarHBondContact CB-NE2 3.32Å; K272-K421 WeakPolarHBondContact O-CD 3.37Å; K272-K421 VanDerWaalsContact O-CE 3.29Å; K272-K421 WeakPolarHBondContact O-CE 3.26Å; K272-K421 PolarHBondContact O-NZ 3.02Å
273	R	98.5	Very high	98.7	Very high	140 Å²	140	20.1 Å²	20.1	53%	0.528	9%	0.09	S	C	.	.	S	Bend	trans	-97.5	-20.9	175.6	-68.9	-178.7	64.6	-159	3.7	112.8	H281 Y406 L413	R273-H281 PolarHBondContact N-NE2 2.88Å; R273-Y406 WeakPolarHBondContact CD-O 3.26Å; R273-L413 HydrophobicContact CG-CD2 4.02Å
274	F	98.8	Very high	98.7	Very high	12 Å²	12	19.1 Å²	19.1	5%	0.053	9%	0.085	C	C	.	.	S	Bend	trans	-140.2	153	171.6	57.3	-91.8	0	0	0	110.2	A276 H281 A284 V337 I347 F352	F274-A276 HydrophobicContact CD2-CB 3.69Å; F274-A276 HydrophobicContact CE2-CB 3.65Å; F274-A276 PolarHBondContact O-N 3.47Å; F274-H281 AromaticContact CD1-NE2 3.85Å; F274-H281 AromaticContact CD2-CE1 3.95Å; F274-H281 HydrophobicContact CE1-CB 4.44Å; F274-H281 AromaticContact CE1-CD2 3.76Å; F274-H281 AromaticContact CE1-CE1 4Å; F274-H281 AromaticContact CE1-CG 3.85Å; F274-H281 AromaticContact CE1-NE2 3.86Å; F274-H281 AromaticContact CE2-CE1 3.81Å; F274-H281 AromaticContact CE2-ND1 3.87Å; F274-H281 HydrophobicContact CZ-CB 4.36Å; F274-H281 AromaticContact CZ-CE1 3.82Å; F274-H281 AromaticContact CZ-CG 3.82Å; F274-H281 AromaticContact CZ-ND1 3.61Å; F274-H281 PolarHBondContact O-CE1 3.23Å; F274-H281 PolarHBondContact O-NE2 2.68Å; F274-A284 HydrophobicContact CE1-CB 3.57Å; F274-A284 HydrophobicContact CZ-CB 3.53Å; F274-V337 HydrophobicContact CE2-CG1 4.08Å; F274-V337 HydrophobicContact CE2-CG2 4.34Å; F274-V337 HydrophobicContact CZ-CG1 3.97Å; F274-I347 HydrophobicContact CB-CB 4.48Å; F274-I347 HydrophobicContact CB-CG2 3.74Å; F274-I347 HydrophobicContact CD1-CB 4.28Å; F274-I347 HydrophobicContact CD1-CG2 4.16Å; F274-I347 HydrophobicContact CD2-CG2 3.64Å; F274-I347 HydrophobicContact CE2-CG2 4.22Å; F274-I347 HydrophobicContact CG-CB 4.21Å; F274-I347 HydrophobicContact CG-CG2 3.58Å; F274-F352 HydrophobicContact CB-CE2 4.41Å; F274-F352 AromaticContact CD2-CE2 3.96Å; F274-F352 HydrophobicContact CD2-CE2 3.96Å; F274-F352 AromaticContact CD2-CZ 3.74Å; F274-F352 HydrophobicContact CD2-CZ 3.74Å; F274-F352 HydrophobicContact CE2-CZ 4.23Å
275	P	98.4	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-74.7	78.8	-172.2	28.5	-37	0	0	0	112.7	M92 F94 R331 V349 F352	M92-P275 HydrophobicContact CB-CB 3.88Å; M92-P275 HydrophobicContact CE-CB 4.19Å; M92-P275 HydrophobicContact CE-CG 4.15Å; M92-P275 CarbonylContact O-C 3.6Å; M92-P275 VanDerWaalsContact O-CB 3.3Å; M92-P275 WeakPolarHBondContact O-CB 3.45Å; F94-P275 HydrophobicContact CB-CB 3.76Å; F94-P275 HydrophobicContact CD1-CB 3.6Å; F94-P275 HydrophobicContact CD1-CG 4.16Å; F94-P275 HydrophobicContact CD2-CB 4.15Å; F94-P275 HydrophobicContact CE1-CB 4.17Å; F94-P275 HydrophobicContact CE1-CG 4.27Å; F94-P275 HydrophobicContact CG-CB 3.58Å; P275-R331 WeakPolarHBondContact O-CD 3.37Å; P275-R331 VanDerWaalsContact O-CG 3.27Å; P275-R331 WeakPolarHBondContact O-CG 3.3Å; P275-R331 PolarHBondContact O-NH1 2.86Å; P275-V349 HydrophobicContact CG-CB 4.33Å; P275-V349 HydrophobicContact CG-CG2 3.98Å; P275-F352 HydrophobicContact CG-CD2 3.89Å; P275-F352 HydrophobicContact CG-CE2 4.1Å
276	A	98.6	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-154.5	171.5	178	0	0	0	0	0	111.8	D93 K272 F274 L278 R331 F352	D93-A276 PolarHBondContact O-N 2.89Å; D93-A276 VanDerWaalsContact OD2-C 3.23Å; K272-A276 WeakPolarHBondContact CD-O 3.48Å; K272-A276 WeakPolarHBondContact CE-O 3.18Å; K272-A276 PolarHBondContact NZ-O 3.41Å; F274-A276 HydrophobicContact CD2-CB 3.69Å; F274-A276 HydrophobicContact CE2-CB 3.65Å; F274-A276 PolarHBondContact O-N 3.47Å; A276-L278 PolarHBondContact O-N 3.33Å; A276-R331 HydrophobicContact CB-CB 4.42Å; A276-F352 HydrophobicContact CB-CE1 3.91Å; A276-F352 HydrophobicContact CB-CE2 4.45Å; A276-F352 HydrophobicContact CB-CZ 3.64Å
277	H	98.6	Very high	98.7	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.019	6%	0.057	C	C	.	.			trans	-54.3	135.8	177.5	-169.7	-91.1	0	0	0	111.4	D93 C279 T280 Y318 V319 R331 H332 F381	D93-H277 WeakPolarHBondContact OD2-CA 3.32Å; D93-H277 PolarHBondContact OD2-N 2.88Å; D93-H277 VanDerWaalsContact OD2-N 3.12Å; H277-C279 VanDerWaalsContact C-N 3.27Å; H277-C279 PolarHBondContact CE1-SG 2.88Å; H277-C279 PolarHBondContact ND1-N 3.22Å; H277-C279 PolarHBondContact O-N 3.31Å; H277-C279 VanDerWaalsContact O-N 3.15Å; H277-T280 HydrophobicContact CB-CG2 4.28Å; H277-T280 WeakPolarHBondContact O-CB 2.92Å; H277-T280 PolarHBondContact O-N 3.4Å; H277-T280 PolarHBondContact O-OG1 3.2Å; H277-Y318 AromaticContact CD2-CE2 3.77Å; H277-Y318 PolarHBondContact CE1-OH 2.85Å; H277-Y318 AromaticContact NE2-CE2 3.73Å; H277-Y318 AromaticContact NE2-CZ 3.56Å; H277-Y318 PolarHBondContact NE2-OH 3.35Å; H277-V319 HydrophobicContact CB-CG2 4.4Å; H277-R331 WeakPolarHBondContact CB-O 3.45Å; H277-R331 PolarHBondContact N-O 3.08Å; H277-H332 AromaticContact CD2-CD2 3.96Å; H277-F381 AromaticContact CE1-CE1 3.85Å; H277-F381 AromaticContact CE1-CZ 3.78Å
278	L	98.8	Very high	98.7	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.9	-171.1	-163.7	75.5	0	0	0	112.4	T97 A270 K272 A276 T280 H281 W282 F381 F405	T97-L278 HydrophobicContact CG2-CB 4.44Å; T97-L278 HydrophobicContact CG2-CD2 3.71Å; A270-L278 HydrophobicContact CB-CD1 4.12Å; A270-L278 HydrophobicContact CB-CD2 4.02Å; K272-L278 HydrophobicContact CG-CD1 3.7Å; A276-L278 PolarHBondContact O-N 3.33Å; L278-T280 PolarHBondContact O-N 3.47Å; L278-T280 VanDerWaalsContact O-N 3.07Å; L278-H281 VanDerWaalsContact O-CB 3.3Å; L278-H281 WeakPolarHBondContact O-CB 3.21Å; L278-H281 PolarHBondContact O-N 3.4Å; L278-W282 HydrophobicContact CB-CZ3 4.45Å; L278-W282 HydrophobicContact CD2-CH2 4.08Å; L278-W282 HydrophobicContact CD2-CZ3 4.05Å; L278-W282 HydrophobicContact CG-CH2 4.35Å; L278-W282 HydrophobicContact CG-CZ3 3.85Å; L278-W282 VanDerWaalsContact O-CZ3 3.29Å; L278-W282 WeakPolarHBondContact O-CZ3 3.3Å; L278-F381 HydrophobicContact CB-CD1 4.26Å; L278-F381 HydrophobicContact CB-CE1 3.72Å; L278-F381 HydrophobicContact CB-CZ 4.03Å; L278-F381 HydrophobicContact CD2-CB 4.43Å; L278-F381 HydrophobicContact CD2-CD1 3.83Å; L278-F381 HydrophobicContact CD2-CD2 4.29Å; L278-F381 HydrophobicContact CD2-CE1 4.1Å; L278-F381 HydrophobicContact CD2-CG 3.95Å; L278-F381 HydrophobicContact CD2-CZ 4.46Å; L278-F381 HydrophobicContact CG-CD1 4.44Å; L278-F381 HydrophobicContact CG-CE1 4.39Å; L278-F405 HydrophobicContact CD1-CE2 4.39Å; L278-F405 HydrophobicContact CD1-CZ 3.67Å; L278-F405 HydrophobicContact CG-CE1 4.4Å; L278-F405 HydrophobicContact CG-CZ 3.99Å
279	C	97.8	Very high	98.7	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.007	7%	0.068	C	C	.	.	H	α-helix	trans	-54.8	-31.8	177.3	-60.4	0	0	0	0	113.3	I154 H277 H281 W282 F334 F381	I154-C279 WeakPolarHBondContact CD1-SG 3.38Å; H277-C279 VanDerWaalsContact C-N 3.27Å; H277-C279 PolarHBondContact CE1-SG 2.88Å; H277-C279 PolarHBondContact ND1-N 3.22Å; H277-C279 PolarHBondContact O-N 3.31Å; H277-C279 VanDerWaalsContact O-N 3.15Å; C279-H281 PolarHBondContact O-N 2.82Å; C279-W282 PolarHBondContact O-N 3.25Å; C279-F334 HydrophobicContact CB-CE1 3.42Å; C279-F334 VanDerWaalsContact CB-CE1 3.42Å; C279-F334 HydrophobicContact CB-CZ 3.76Å; C279-F381 WeakPolarHBondContact SG-CE1 3.47Å
280	T	98.8	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-72.4	-15.2	-178.7	71.5	0	0	0	0	112.4	H277 L278 V283 A284 V319 F334 V337	H277-T280 HydrophobicContact CB-CG2 4.28Å; H277-T280 WeakPolarHBondContact O-CB 2.92Å; H277-T280 PolarHBondContact O-N 3.4Å; H277-T280 PolarHBondContact O-OG1 3.2Å; L278-T280 PolarHBondContact O-N 3.47Å; L278-T280 VanDerWaalsContact O-N 3.07Å; T280-V283 WeakPolarHBondContact O-CB 3.3Å; T280-V283 PolarHBondContact O-N 3.17Å; T280-A284 PolarHBondContact O-N 3.48Å; T280-V319 HydrophobicContact CG2-CG1 3.85Å; T280-F334 HydrophobicContact CG2-CD1 4.15Å; T280-V337 HydrophobicContact CG2-CB 4.49Å; T280-V337 HydrophobicContact CG2-CG2 4.12Å; T280-V337 WeakPolarHBondContact O-CG1 3.24Å
281	H	98.9	Very high	98.5	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.019	7%	0.074	C	C	.	.	H	α-helix	trans	-68.3	-35.5	174.6	-71.9	55.6	0	0	0	112.3	K272 R273 F274 L278 C279 V283 A284 D285 F405	K272-H281 WeakPolarHBondContact CA-NE2 3.33Å; K272-H281 WeakPolarHBondContact CB-NE2 3.32Å; R273-H281 PolarHBondContact N-NE2 2.88Å; F274-H281 AromaticContact CD1-NE2 3.85Å; F274-H281 AromaticContact CD2-CE1 3.95Å; F274-H281 HydrophobicContact CE1-CB 4.44Å; F274-H281 AromaticContact CE1-CD2 3.76Å; F274-H281 AromaticContact CE1-CE1 4Å; F274-H281 AromaticContact CE1-CG 3.85Å; F274-H281 AromaticContact CE1-NE2 3.86Å; F274-H281 AromaticContact CE2-CE1 3.81Å; F274-H281 AromaticContact CE2-ND1 3.87Å; F274-H281 HydrophobicContact CZ-CB 4.36Å; F274-H281 AromaticContact CZ-CE1 3.82Å; F274-H281 AromaticContact CZ-CG 3.82Å; F274-H281 AromaticContact CZ-ND1 3.61Å; F274-H281 PolarHBondContact O-CE1 3.23Å; F274-H281 PolarHBondContact O-NE2 2.68Å; L278-H281 VanDerWaalsContact O-CB 3.3Å; L278-H281 WeakPolarHBondContact O-CB 3.21Å; L278-H281 PolarHBondContact O-N 3.4Å; C279-H281 PolarHBondContact O-N 2.82Å; H281-V283 VanDerWaalsContact C-N 3.32Å; H281-A284 PolarHBondContact O-N 3.35Å; H281-D285 WeakPolarHBondContact O-CB 3.18Å; H281-D285 PolarHBondContact O-N 2.79Å; H281-F405 HydrophobicContact CB-CB 4.5Å; H281-F405 HydrophobicContact CB-CD1 3.73Å; H281-F405 HydrophobicContact CB-CD2 3.61Å; H281-F405 HydrophobicContact CB-CE1 3.77Å; H281-F405 HydrophobicContact CB-CE2 3.67Å; H281-F405 HydrophobicContact CB-CG 3.66Å; H281-F405 HydrophobicContact CB-CZ 3.75Å; H281-F405 AromaticContact CD2-CE2 3.75Å; H281-F405 AromaticContact CG-CE2 3.96Å
282	W	98.9	Very high	98.3	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-64.1	-39	169.4	-73.3	-96.5	0	0	0	111.5	L278 C279 D285 A286 F381 L384 C386 D403 F405 H408	L278-W282 HydrophobicContact CB-CZ3 4.45Å; L278-W282 HydrophobicContact CD2-CH2 4.08Å; L278-W282 HydrophobicContact CD2-CZ3 4.05Å; L278-W282 HydrophobicContact CG-CH2 4.35Å; L278-W282 HydrophobicContact CG-CZ3 3.85Å; L278-W282 VanDerWaalsContact O-CZ3 3.29Å; L278-W282 WeakPolarHBondContact O-CZ3 3.3Å; C279-W282 PolarHBondContact O-N 3.25Å; W282-D285 PolarHBondContact O-N 3.39Å; W282-A286 WeakPolarHBondContact O-CB 3.48Å; W282-A286 PolarHBondContact O-N 3Å; W282-F381 HydrophobicContact CH2-CB 4.11Å; W282-F381 AromaticContact CH2-CD1 3.93Å; W282-F381 HydrophobicContact CH2-CD1 3.93Å; W282-F381 HydrophobicContact CH2-CG 4.46Å; W282-F381 WeakPolarHBondContact CZ2-O 3.35Å; W282-F381 AromaticContact CZ3-CD1 3.92Å; W282-F381 HydrophobicContact CZ3-CD1 3.92Å; W282-L384 HydrophobicContact CB-CD1 4.24Å; W282-L384 HydrophobicContact CD2-CD1 3.31Å; W282-L384 HydrophobicContact CD2-CG 4.31Å; W282-L384 HydrophobicContact CE3-CD1 3.55Å; W282-L384 HydrophobicContact CE3-CG 4.41Å; W282-L384 HydrophobicContact CG-CD1 3.66Å; W282-L384 HydrophobicContact CH2-CD1 4.16Å; W282-L384 HydrophobicContact CH2-CD2 4.3Å; W282-L384 HydrophobicContact CH2-CG 4.18Å; W282-L384 HydrophobicContact CZ2-CD1 3.99Å; W282-L384 HydrophobicContact CZ2-CG 4.11Å; W282-L384 HydrophobicContact CZ3-CD1 3.94Å; W282-L384 HydrophobicContact CZ3-CD2 4.2Å; W282-L384 HydrophobicContact CZ3-CG 4.32Å; W282-L384 PolarHBondContact NE1-O 3.07Å; W282-C386 HydrophobicContact CB-CB 3.84Å; W282-D403 PolarHBondContact NE1-O 3.19Å; W282-F405 AromaticContact CD2-CD1 3.56Å; W282-F405 HydrophobicContact CD2-CD1 3.56Å; W282-F405 AromaticContact CD2-CE1 3.67Å; W282-F405 HydrophobicContact CD2-CE1 3.67Å; W282-F405 AromaticContact CE2-CD1 3.77Å; W282-F405 AromaticContact CE2-CE1 3.77Å; W282-F405 AromaticContact CE3-CD1 3.8Å; W282-F405 HydrophobicContact CE3-CD1 3.8Å; W282-F405 AromaticContact CE3-CE1 3.49Å; W282-F405 HydrophobicContact CE3-CE1 3.49Å; W282-F405 VanDerWaalsContact CE3-CE1 3.49Å; W282-F405 AromaticContact CG-CD1 4Å; W282-F405 HydrophobicContact CG-CD1 4Å; W282-F405 HydrophobicContact CH2-CD1 4.43Å; W282-F405 AromaticContact CH2-CE1 3.61Å; W282-F405 HydrophobicContact CH2-CE1 3.61Å; W282-F405 HydrophobicContact CZ2-CD1 4.2Å; W282-F405 AromaticContact CZ2-CE1 3.74Å; W282-F405 HydrophobicContact CZ2-CE1 3.74Å; W282-F405 HydrophobicContact CZ3-CD1 4.25Å; W282-F405 AromaticContact CZ3-CE1 3.49Å; W282-F405 HydrophobicContact CZ3-CE1 3.49Å; W282-F405 VanDerWaalsContact CZ3-CE1 3.49Å; W282-F405 HydrophobicContact CZ3-CZ 4.37Å; W282-H408 AromaticContact CH2-CD2 3.69Å; W282-H408 AromaticContact CZ2-CD2 3.48Å; W282-H408 VanDerWaalsContact CZ2-CD2 3.48Å; W282-H408 WeakPolarHBondContact CZ2-CD2 3.35Å; W282-H408 AromaticContact CZ2-NE2 3.69Å
283	V	98.9	Very high	97.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-47.3	176.5	179.9	0	0	0	0	111.3	T280 H281 D285 A286 A287 L311 I313 F334 A338 C386	T280-V283 WeakPolarHBondContact O-CB 3.3Å; T280-V283 PolarHBondContact O-N 3.17Å; H281-V283 VanDerWaalsContact C-N 3.32Å; V283-D285 VanDerWaalsContact C-N 3.32Å; V283-D285 PolarHBondContact O-N 3.42Å; V283-A286 PolarHBondContact O-N 3.16Å; V283-A287 WeakPolarHBondContact O-CB 3.49Å; V283-A287 PolarHBondContact O-N 3.23Å; V283-L311 HydrophobicContact CG1-CD1 4.39Å; V283-L311 HydrophobicContact CG1-CD2 4.33Å; V283-I313 HydrophobicContact CG2-CG2 4.17Å; V283-F334 HydrophobicContact CG2-CD1 3.59Å; V283-F334 HydrophobicContact CG2-CE1 4.2Å; V283-F334 HydrophobicContact CG2-CG 4.49Å; V283-A338 HydrophobicContact CG1-CB 3.6Å; V283-C386 HydrophobicContact CG2-CB 4.12Å
284	A	98.9	Very high	97.5	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-41.4	177.4	0	0	0	0	0	111.8	F274 T280 H281 A287 A288 V337 M341 I347	F274-A284 HydrophobicContact CE1-CB 3.57Å; F274-A284 HydrophobicContact CZ-CB 3.53Å; T280-A284 PolarHBondContact O-N 3.48Å; H281-A284 PolarHBondContact O-N 3.35Å; A284-A287 PolarHBondContact O-N 3.24Å; A284-A288 VanDerWaalsContact O-CB 3.26Å; A284-A288 WeakPolarHBondContact O-CB 3.46Å; A284-A288 PolarHBondContact O-N 3.22Å; A284-V337 HydrophobicContact CB-CG1 3.78Å; A284-M341 HydrophobicContact CB-CE 3.87Å; A284-M341 WeakPolarHBondContact O-CG 3.29Å; A284-I347 HydrophobicContact CB-CD1 4.29Å
285	D	98.9	Very high	97	Very high	46 Å²	46	20.7 Å²	20.7	25%	0.246	11%	0.108	C	C	.	.	H	α-helix	trans	-66.9	-44.1	179.6	-171.1	81.9	0	0	0	112.3	H281 W282 V283 S289 S402 F405	H281-D285 WeakPolarHBondContact O-CB 3.18Å; H281-D285 PolarHBondContact O-N 2.79Å; W282-D285 PolarHBondContact O-N 3.39Å; V283-D285 VanDerWaalsContact C-N 3.32Å; V283-D285 PolarHBondContact O-N 3.42Å; D285-S289 PolarHBondContact O-N 3.01Å; D285-S289 VanDerWaalsContact O-N 3.16Å; D285-S289 PolarHBondContact O-OG 3.01Å; D285-S402 WeakPolarHBondContact OD2-CB 3.36Å; D285-S402 PolarHBondContact OD2-OG 2.92Å; D285-F405 HydrophobicContact CB-CB 3.88Å
286	A	98.8	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-43.2	174.6	0	0	0	0	0	111.6	W282 V283 S289 V290 C386 I388	W282-A286 WeakPolarHBondContact O-CB 3.48Å; W282-A286 PolarHBondContact O-N 3Å; V283-A286 PolarHBondContact O-N 3.16Å; A286-S289 PolarHBondContact O-N 2.6Å; A286-V290 PolarHBondContact O-N 3.44Å; A286-C386 HydrophobicContact CB-CB 4.37Å; A286-I388 HydrophobicContact CB-CB 4.45Å; A286-I388 HydrophobicContact CB-CG2 3.81Å; A286-I388 WeakPolarHBondContact O-CG2 3.4Å
287	A	98.8	Very high	94.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-41.1	177.8	0	0	0	0	0	112.4	V283 A284 S289 V290 R291 M341 L342 I388	V283-A287 WeakPolarHBondContact O-CB 3.49Å; V283-A287 PolarHBondContact O-N 3.23Å; A284-A287 PolarHBondContact O-N 3.24Å; A287-S289 VanDerWaalsContact C-N 3.27Å; A287-S289 PolarHBondContact O-N 3.44Å; A287-V290 WeakPolarHBondContact O-CG1 3.29Å; A287-R291 VanDerWaalsContact O-CB 3.26Å; A287-R291 WeakPolarHBondContact O-CB 3.21Å; A287-R291 PolarHBondContact O-N 3.44Å; A287-M341 HydrophobicContact CB-CB 3.85Å; A287-M341 HydrophobicContact CB-CG 3.67Å; A287-L342 HydrophobicContact CB-CD2 4.5Å; A287-L342 HydrophobicContact CB-CG 4.37Å; A287-I388 HydrophobicContact CB-CD1 4.03Å
288	A	98.3	Very high	92.5	Very high	31 Å²	31	39.1 Å²	39.1	26%	0.256	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-37.6	174.9	0	0	0	0	0	111.6	A284 M341	A284-A288 VanDerWaalsContact O-CB 3.26Å; A284-A288 WeakPolarHBondContact O-CB 3.46Å; A284-A288 PolarHBondContact O-N 3.22Å; A288-M341 HydrophobicContact CB-CE 4.19Å; A288-M341 HydrophobicContact CB-CG 4Å; A288-M341 HydrophobicContact CB-SD 3.74Å
289	S	97.8	Very high	91.4	Very high	33 Å²	33	42.1 Å²	42.1	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-70.3	-47.9	179.4	-61	0	0	0	0	112.1	D285 A286 A287 R291 K292	D285-S289 PolarHBondContact O-N 3.01Å; D285-S289 VanDerWaalsContact O-N 3.16Å; D285-S289 PolarHBondContact O-OG 3.01Å; A286-S289 PolarHBondContact O-N 2.6Å; A287-S289 VanDerWaalsContact C-N 3.27Å; A287-S289 PolarHBondContact O-N 3.44Å; S289-R291 VanDerWaalsContact C-N 3.3Å; S289-R291 PolarHBondContact O-N 3.49Å; S289-K292 WeakPolarHBondContact O-CB 3.41Å; S289-K292 PolarHBondContact O-N 3.38Å
290	V	97.4	Very high	90.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-32.6	176.5	75.2	0	0	0	0	112.3	A286 A287 K292 N293 L342 I388 V390 F398 H400	A286-V290 PolarHBondContact O-N 3.44Å; A287-V290 WeakPolarHBondContact O-CG1 3.29Å; V290-K292 PolarHBondContact O-N 2.94Å; V290-N293 PolarHBondContact O-N 3.07Å; V290-L342 HydrophobicContact CG1-CD2 3.77Å; V290-I388 HydrophobicContact CB-CG2 3.91Å; V290-I388 HydrophobicContact CG1-CD1 4.04Å; V290-I388 HydrophobicContact CG1-CG1 4.29Å; V290-I388 HydrophobicContact CG1-CG2 3.61Å; V290-V390 HydrophobicContact CG1-CG2 4.03Å; V290-V390 HydrophobicContact CG2-CB 4.44Å; V290-V390 HydrophobicContact CG2-CG2 4.1Å; V290-F398 HydrophobicContact CG2-CB 3.6Å; V290-F398 WeakPolarHBondContact CG2-O 3.47Å; V290-H400 VanDerWaalsContact CA-CD2 3.4Å; V290-H400 WeakPolarHBondContact CA-CD2 3.44Å; V290-H400 HydrophobicContact CB-CB 4.17Å
291	R	96.6	Very high	90.2	Very high	40 Å²	40	49.2 Å²	49.2	15%	0.151	28%	0.278	C	S	.	.	H	α-helix	trans	-55.3	-37.2	177.2	-172.9	-177.5	-173.5	-84.6	-1	112.2	A287 S289 N293 L294 V295 A299 M341 L342 G345	A287-R291 VanDerWaalsContact O-CB 3.26Å; A287-R291 WeakPolarHBondContact O-CB 3.21Å; A287-R291 PolarHBondContact O-N 3.44Å; S289-R291 VanDerWaalsContact C-N 3.3Å; S289-R291 PolarHBondContact O-N 3.49Å; R291-N293 PolarHBondContact O-N 3.4Å; R291-N293 VanDerWaalsContact O-N 3.17Å; R291-L294 WeakPolarHBondContact O-CB 3.32Å; R291-L294 PolarHBondContact O-N 2.85Å; R291-V295 HydrophobicContact CG-CG1 3.76Å; R291-V295 HydrophobicContact CG-CG2 4.43Å; R291-V295 WeakPolarHBondContact O-CG2 3.4Å; R291-V295 PolarHBondContact O-N 3.3Å; R291-V295 VanDerWaalsContact O-N 3.13Å; R291-A299 PolarHBondContact NH2-O 3.06Å; R291-M341 WeakPolarHBondContact CD-O 3.45Å; R291-L342 HydrophobicContact CB-CD2 4.19Å; R291-L342 VanDerWaalsContact CD-O 3.32Å; R291-L342 WeakPolarHBondContact CD-O 3.5Å; R291-L342 PolarHBondContact NE-O 3.42Å; R291-G345 VanDerWaalsContact NE-CA 3.27Å
292	K	94.4	Very high	89.8	Confident	161 Å²	161	51.3 Å²	51.3	70%	0.7	29%	0.292	S	S	*	.	H	α-helix	trans	-57.6	-30.9	179.7	-65.2	176.4	-177	176.3	0	112.8	S289 V290	S289-K292 WeakPolarHBondContact O-CB 3.41Å; S289-K292 PolarHBondContact O-N 3.38Å; V290-K292 PolarHBondContact O-N 2.94Å
293	N	92	Very high	89.4	Confident	80 Å²	80	51.9 Å²	51.9	43%	0.428	30%	0.295	S	S	.	.	H	α-helix	trans	-79.2	-20.8	175.6	-64.9	105.2	0	0	0	113.3	V290 R291 F398 H400	V290-N293 PolarHBondContact O-N 3.07Å; R291-N293 PolarHBondContact O-N 3.4Å; R291-N293 VanDerWaalsContact O-N 3.17Å; N293-F398 HydrophobicContact CB-CB 4.34Å; N293-F398 HydrophobicContact CB-CD1 3.5Å; N293-F398 VanDerWaalsContact CB-CD1 3.5Å; N293-F398 HydrophobicContact CB-CE1 3.89Å; N293-F398 HydrophobicContact CB-CG 3.92Å; N293-H400 PolarHBondContact OD1-NE2 3.3Å
294	L	89.9	Confident	89.1	Confident	15 Å²	15	57.4 Å²	57.4	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-92.9	-28.6	-173.9	-61.5	174.2	0	0	0	113.6	R291 L301 P302 L342 V390 L392 F398	R291-L294 WeakPolarHBondContact O-CB 3.32Å; R291-L294 PolarHBondContact O-N 2.85Å; L294-L301 HydrophobicContact CB-CD1 4.04Å; L294-L301 HydrophobicContact CD1-CD1 3.97Å; L294-P302 WeakPolarHBondContact O-CD 3.35Å; L294-L342 HydrophobicContact CD1-CD2 4.08Å; L294-V390 HydrophobicContact CD1-CB 4.16Å; L294-V390 HydrophobicContact CD1-CG1 3.9Å; L294-V390 HydrophobicContact CD1-CG2 4.17Å; L294-V390 HydrophobicContact CD2-CG1 4.25Å; L294-L392 HydrophobicContact CD2-CD2 4.02Å; L294-F398 HydrophobicContact CD2-CD2 3.58Å; L294-F398 HydrophobicContact CD2-CE2 4.01Å; L294-F398 HydrophobicContact CD2-CG 4.38Å
295	V	87.8	Confident	88.9	Confident	13 Å²	13	62.1 Å²	62.1	8%	0.079	34%	0.342	C	S	.	.	S	Bend	trans	-99.8	-6.9	-169.2	-60.3	0	0	0	0	115.5	R291 T298 A299 L301	R291-V295 HydrophobicContact CG-CG1 3.76Å; R291-V295 HydrophobicContact CG-CG2 4.43Å; R291-V295 WeakPolarHBondContact O-CG2 3.4Å; R291-V295 PolarHBondContact O-N 3.3Å; R291-V295 VanDerWaalsContact O-N 3.13Å; V295-T298 PolarHBondContact O-N 3.46Å; V295-T298 PolarHBondContact O-OG1 2.96Å; V295-A299 PolarHBondContact O-N 3.21Å; V295-A299 VanDerWaalsContact O-N 3.14Å; V295-L301 HydrophobicContact CG1-CD1 4.25Å
296	A	72.8	Confident	88.9	Confident	87 Å²	87	60 Å²	60	72%	0.719	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	31.8	-136.2	178.2	0	0	0	0	0	113.8
297	E	62.7	Low	88.8	Confident	199 Å²	199	66.5 Å²	66.5	93%	0.93	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-76.8	-17	178.1	-66.9	-178.5	175.3	0	0	113.8	A299	E297-A299 VanDerWaalsContact C-N 3.35Å; E297-A299 PolarHBondContact O-N 3.48Å
298	T	64.9	Low	88.8	Confident	104 Å²	104	71.4 Å²	71.4	64%	0.638	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-83.1	-9.6	-171	58.3	0	0	0	0	113.9	V295 L300	V295-T298 PolarHBondContact O-N 3.46Å; V295-T298 PolarHBondContact O-OG1 2.96Å; T298-L300 PolarHBondContact O-N 3.37Å
299	A	76.1	Confident	88.9	Confident	66 Å²	66	69.9 Å²	69.9	55%	0.545	37%	0.365	S	S	.	.			trans	58.6	-8.3	-178.7	0	0	0	0	0	116.5	R291 V295 E297	R291-A299 PolarHBondContact NH2-O 3.06Å; V295-A299 PolarHBondContact O-N 3.21Å; V295-A299 VanDerWaalsContact O-N 3.14Å; E297-A299 VanDerWaalsContact C-N 3.35Å; E297-A299 PolarHBondContact O-N 3.48Å
300	L	84.1	Confident	88.9	Confident	133 Å²	133	68.5 Å²	68.5	70%	0.696	36%	0.355	S	S	*	.	S	Bend	trans	-98.1	142.1	-179.6	-65	175.8	0	0	0	111.4	T298	T298-L300 PolarHBondContact O-N 3.37Å
301	L	88.4	Confident	89	Confident	17 Å²	17	68.5 Å²	68.5	9%	0.089	36%	0.355	C	S	.	.			trans	-77.1	127.7	174.7	-170.3	77.4	0	0	0	110.3	L294 V295 I303 I306 L342 L365	L294-L301 HydrophobicContact CB-CD1 4.04Å; L294-L301 HydrophobicContact CD1-CD1 3.97Å; V295-L301 HydrophobicContact CG1-CD1 4.25Å; L301-I303 HydrophobicContact CB-CG1 4.49Å; L301-I303 HydrophobicContact CD2-CG1 4.11Å; L301-I303 HydrophobicContact CG-CG1 4.48Å; L301-I303 PolarHBondContact O-N 3.44Å; L301-I306 HydrophobicContact CD1-CD1 4.11Å; L301-I306 HydrophobicContact CD2-CD1 3.82Å; L301-I306 HydrophobicContact CG-CD1 3.96Å; L301-L342 HydrophobicContact CD1-CB 4.39Å; L301-L342 HydrophobicContact CD2-CB 3.87Å; L301-L365 HydrophobicContact CD2-CD1 3.81Å; L301-L365 HydrophobicContact CD2-CD2 4.21Å
302	P	88.9	Confident	89.1	Confident	47 Å²	47	69.2 Å²	69.2	31%	0.305	36%	0.358	S	S	.	.			trans	-79.1	70.8	176.3	33.4	-35.9	0	0	0	111.1	L294 D304 Y305 I306	L294-P302 WeakPolarHBondContact O-CD 3.35Å; P302-D304 VanDerWaalsContact C-N 3.32Å; P302-D304 PolarHBondContact O-N 2.96Å; P302-Y305 WeakPolarHBondContact O-CB 3.21Å; P302-Y305 PolarHBondContact O-N 3.35Å; P302-I306 PolarHBondContact O-N 2.79Å
303	I	91.7	Very high	89.3	Confident	13 Å²	13	61.6 Å²	61.6	7%	0.067	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-51	-49.4	-174.6	-59.6	171.6	0	0	0	111.8	L301 Y305 I306 L343 Q361 E364 L365 K368	L301-I303 HydrophobicContact CB-CG1 4.49Å; L301-I303 HydrophobicContact CD2-CG1 4.11Å; L301-I303 HydrophobicContact CG-CG1 4.48Å; L301-I303 PolarHBondContact O-N 3.44Å; I303-Y305 PolarHBondContact O-N 3.03Å; I303-Y305 VanDerWaalsContact O-N 3.14Å; I303-I306 PolarHBondContact O-N 3.32Å; I303-I306 VanDerWaalsContact O-N 3.12Å; I303-L343 HydrophobicContact CD1-CD1 3.48Å; I303-L343 VanDerWaalsContact CD1-CD1 3.48Å; I303-L343 HydrophobicContact CG1-CD1 4.13Å; I303-Q361 HydrophobicContact CD1-CB 3.75Å; I303-Q361 HydrophobicContact CD1-CG 3.75Å; I303-E364 WeakPolarHBondContact CG2-OE1 3.35Å; I303-E364 WeakPolarHBondContact CG2-OE2 3.38Å; I303-L365 HydrophobicContact CB-CD2 4.46Å; I303-L365 HydrophobicContact CG1-CD1 4.45Å; I303-L365 HydrophobicContact CG1-CD2 4.46Å; I303-L365 HydrophobicContact CG2-CD2 3.85Å; I303-L365 HydrophobicContact CG2-CG 3.99Å; I303-K368 PolarHBondContact O-NZ 2.8Å
304	D	92.8	Very high	89.6	Confident	118 Å²	118	57.9 Å²	57.9	63%	0.631	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-62.2	-22.2	-178.5	-68.9	-42.6	0	0	0	113	P302 K393	P302-D304 VanDerWaalsContact C-N 3.32Å; P302-D304 PolarHBondContact O-N 2.96Å; D304-K393 WeakPolarHBondContact O-CD 3.48Å; D304-K393 WeakPolarHBondContact O-CE 3.38Å; D304-K393 PolarHBondContact O-NZ 3.19Å
305	Y	94.5	Very high	90	Very high	101 Å²	101	61.4 Å²	61.4	40%	0.396	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-93	-14.3	-178.5	-150.5	-120.1	0	0	0	113.3	P302 I303 K307 L392 K393 D394	P302-Y305 WeakPolarHBondContact O-CB 3.21Å; P302-Y305 PolarHBondContact O-N 3.35Å; I303-Y305 PolarHBondContact O-N 3.03Å; I303-Y305 VanDerWaalsContact O-N 3.14Å; Y305-K307 PolarHBondContact O-N 3.17Å; Y305-L392 HydrophobicContact CD1-CB 3.97Å; Y305-L392 HydrophobicContact CD1-CD1 4.01Å; Y305-L392 HydrophobicContact CD1-CD2 4.28Å; Y305-L392 HydrophobicContact CD1-CG 4.31Å; Y305-L392 HydrophobicContact CE1-CB 4.11Å; Y305-L392 HydrophobicContact CE1-CD1 4.22Å; Y305-L392 CarbonylContact O-C 3.52Å; Y305-L392 WeakPolarHBondContact O-CA 3.37Å; Y305-K393 HydrophobicContact CD2-CB 4.02Å; Y305-K393 HydrophobicContact CD2-CD 4.42Å; Y305-K393 HydrophobicContact CE2-CB 3.97Å; Y305-K393 WeakPolarHBondContact O-CG 3.41Å; Y305-K393 PolarHBondContact O-N 3.05Å; Y305-D394 HydrophobicContact CE1-CB 4.31Å; Y305-D394 VanDerWaalsContact OH-CB 3.3Å; Y305-D394 WeakPolarHBondContact OH-CB 3.45Å; Y305-D394 PolarHBondContact OH-OD2 2.98Å
306	I	97.7	Very high	90.4	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	124	172.5	-65.3	170.3	0	0	0	108.5	L301 P302 I303 I309 L365 K368 V390 L392	L301-I306 HydrophobicContact CD1-CD1 4.11Å; L301-I306 HydrophobicContact CD2-CD1 3.82Å; L301-I306 HydrophobicContact CG-CD1 3.96Å; P302-I306 PolarHBondContact O-N 2.79Å; I303-I306 PolarHBondContact O-N 3.32Å; I303-I306 VanDerWaalsContact O-N 3.12Å; I306-I309 HydrophobicContact CG2-CD1 4.19Å; I306-I309 HydrophobicContact CG2-CG1 3.84Å; I306-L365 HydrophobicContact CD1-CD2 3.86Å; I306-K368 HydrophobicContact CB-CD 4.43Å; I306-K368 HydrophobicContact CG2-CD 4.08Å; I306-K368 WeakPolarHBondContact O-CD 3.44Å; I306-K368 PolarHBondContact O-NZ 3Å; I306-V390 HydrophobicContact CD1-CG1 4.29Å; I306-V390 HydrophobicContact CG1-CG1 4.07Å; I306-V390 HydrophobicContact CG2-CG1 3.97Å; I306-L392 HydrophobicContact CG1-CD2 4.03Å
307	K	98.1	Very high	91.4	Very high	138 Å²	138	62.1 Å²	62.1	60%	0.6	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	-42.5	176.3	-178.5	-179.7	177.7	179.9	0	111.5	Y305 T391 K393	Y305-K307 PolarHBondContact O-N 3.17Å; K307-T391 WeakPolarHBondContact CA-O 3.29Å; K307-T391 WeakPolarHBondContact CB-O 3.11Å; K307-T391 PolarHBondContact N-O 3.45Å; K307-K393 HydrophobicContact CB-CG 4.17Å
308	R	98.5	Very high	92.9	Very high	102 Å²	102	54.6 Å²	54.6	39%	0.385	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	144.7	-173.5	-175.8	174.5	61.4	171.1	2.6	111.7	V310 E370 T391	R308-V310 HydrophobicContact CG-CG2 4.08Å; R308-E370 VanDerWaalsContact CD-OE1 3.27Å; R308-E370 WeakPolarHBondContact CD-OE1 3.23Å; R308-E370 WeakPolarHBondContact CD-OE2 3.35Å; R308-E370 IonicContact NH1-OE2 3.86Å; R308-T391 PolarHBondContact N-O 3.16Å; R308-T391 VanDerWaalsContact N-O 3.12Å; R308-T391 PolarHBondContact O-N 3.36Å
309	I	98.8	Very high	94.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.8	173.2	-58.9	165.6	0	0	0	107.6	I306 L311 L342 L365 K368 V369 E370 I388 S389 V390	I306-I309 HydrophobicContact CG2-CD1 4.19Å; I306-I309 HydrophobicContact CG2-CG1 3.84Å; I309-L311 HydrophobicContact CG2-CD2 4.28Å; I309-L342 HydrophobicContact CD1-CD1 3.79Å; I309-L342 HydrophobicContact CG1-CD1 4.41Å; I309-L365 HydrophobicContact CD1-CD2 4.27Å; I309-K368 PolarHBondContact N-O 2.92Å; I309-V369 HydrophobicContact CB-CG2 4.18Å; I309-V369 HydrophobicContact CD1-CG2 4.25Å; I309-V369 HydrophobicContact CG2-CG2 4.34Å; I309-V369 CarbonylContact O-C 3.59Å; I309-V369 VanDerWaalsContact O-CA 3.3Å; I309-V369 WeakPolarHBondContact O-CA 3.38Å; I309-E370 PolarHBondContact O-N 3.21Å; I309-I388 HydrophobicContact CG2-CD1 4.02Å; I309-I388 HydrophobicContact CG2-CG1 4.17Å; I309-S389 CarbonylContact C-O 3.56Å; I309-S389 WeakPolarHBondContact CA-O 3.39Å; I309-V390 HydrophobicContact CG1-CG1 4.39Å; I309-V390 HydrophobicContact CG1-CG2 4.4Å
310	V	98.9	Very high	95.5	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.7	176.3	179.9	0	0	0	0	108.9	R308 E370 E372 I388 S389	R308-V310 HydrophobicContact CG-CG2 4.08Å; V310-E370 WeakPolarHBondContact CA-O 3.32Å; V310-E370 HydrophobicContact CG2-CB 4.49Å; V310-E372 HydrophobicContact CG1-CB 4.25Å; V310-E372 HydrophobicContact CG1-CG 3.74Å; V310-I388 CarbonylContact O-C 3.58Å; V310-I388 WeakPolarHBondContact O-CA 3.29Å; V310-S389 PolarHBondContact N-O 2.93Å; V310-S389 PolarHBondContact O-N 2.86Å
311	L	98.9	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.1	172.7	-56.9	178.4	0	0	0	109.5	V283 I309 I313 F334 A338 V369 E370 L371 E372 I388	V283-L311 HydrophobicContact CG1-CD1 4.39Å; V283-L311 HydrophobicContact CG1-CD2 4.33Å; I309-L311 HydrophobicContact CG2-CD2 4.28Å; L311-I313 HydrophobicContact CB-CG2 4.16Å; L311-F334 HydrophobicContact CD1-CB 4.28Å; L311-A338 HydrophobicContact CD1-CB 3.83Å; L311-A338 HydrophobicContact CD2-CB 3.88Å; L311-A338 HydrophobicContact CG-CB 4.44Å; L311-V369 HydrophobicContact CD1-CG1 3.79Å; L311-V369 HydrophobicContact CG-CG1 4.05Å; L311-E370 PolarHBondContact N-O 2.99Å; L311-L371 HydrophobicContact CB-CD2 3.77Å; L311-L371 HydrophobicContact CD1-CD2 3.89Å; L311-L371 HydrophobicContact CG-CD2 4.26Å; L311-L371 WeakPolarHBondContact O-CA 3.37Å; L311-E372 PolarHBondContact O-N 3Å; L311-I388 HydrophobicContact CD2-CB 4.05Å; L311-I388 HydrophobicContact CD2-CD1 3.69Å; L311-I388 HydrophobicContact CD2-CG1 3.72Å
312	R	98.9	Very high	96.6	Very high	56 Å²	56	47 Å²	47	21%	0.211	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.6	169.6	-71.3	177.4	-171.8	98.1	22.4	108.8	E372 P374 C386 E387 S389	R312-E372 WeakPolarHBondContact CA-O 3.29Å; R312-E372 HydrophobicContact CG-CB 3.8Å; R312-E372 WeakPolarHBondContact CG-OE2 3.35Å; R312-E372 IonicContact CZ-OE2 3.87Å; R312-E372 VanDerWaalsContact CZ-OE2 3.27Å; R312-E372 IonicContact NE-OE2 3.6Å; R312-E372 PolarHBondContact NE-OE2 2.88Å; R312-E372 IonicContact NH2-OE1 3.81Å; R312-E372 IonicContact NH2-OE2 3.04Å; R312-E372 PolarHBondContact NH2-OE2 2.84Å; R312-P374 HydrophobicContact CB-CG 3.77Å; R312-P374 HydrophobicContact CG-CG 4.07Å; R312-C386 WeakPolarHBondContact O-CA 3.33Å; R312-E387 HydrophobicContact CB-CB 4.03Å; R312-E387 WeakPolarHBondContact CB-O 3.49Å; R312-E387 VanDerWaalsContact CD-OE1 3.27Å; R312-E387 WeakPolarHBondContact CD-OE1 3.32Å; R312-E387 IonicContact CZ-OE1 3.79Å; R312-E387 PolarHBondContact N-O 3.12Å; R312-E387 IonicContact NE-OE1 3.32Å; R312-E387 IonicContact NH1-OE1 2.74Å; R312-E387 PolarHBondContact NH1-OE1 3.18Å; R312-E387 PolarHBondContact O-N 3.13Å; R312-S389 PolarHBondContact NH1-OG 3Å
313	I	98.8	Very high	97	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	23%	0.23	C	C	.	.			trans	-141.6	164.9	-167.7	52	148.3	0	0	0	110.7	V283 L311 F334 L371 E372 Y373 N377 C386	V283-I313 HydrophobicContact CG2-CG2 4.17Å; L311-I313 HydrophobicContact CB-CG2 4.16Å; I313-F334 HydrophobicContact CD1-CB 4.46Å; I313-F334 HydrophobicContact CD1-CD1 4.48Å; I313-F334 HydrophobicContact CD1-CD2 3.3Å; I313-F334 HydrophobicContact CD1-CE2 3.43Å; I313-F334 VanDerWaalsContact CD1-CE2 3.43Å; I313-F334 HydrophobicContact CD1-CG 3.87Å; I313-F334 HydrophobicContact CD1-CZ 4.07Å; I313-F334 HydrophobicContact CG2-CD1 4.5Å; I313-L371 HydrophobicContact CD1-CD1 4.11Å; I313-L371 HydrophobicContact CD1-CD2 4.05Å; I313-L371 HydrophobicContact CD1-CG 4.48Å; I313-L371 HydrophobicContact CG1-CD2 4.46Å; I313-E372 PolarHBondContact N-O 2.8Å; I313-Y373 HydrophobicContact CD1-CD1 4.47Å; I313-Y373 HydrophobicContact CD1-CE1 3.89Å; I313-Y373 HydrophobicContact CG1-CD1 4.24Å; I313-Y373 HydrophobicContact CG1-CE1 4.11Å; I313-N377 VanDerWaalsContact C-ND2 3.25Å; I313-N377 WeakPolarHBondContact CA-ND2 3.3Å; I313-C386 HydrophobicContact CG2-CB 4.39Å
314	P	98.1	Very high	97.3	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.013	23%	0.227	C	C	.	.			trans	-67.6	153.2	169.6	30.3	-38.1	0	0	0	111.4	V316 N377 P379 L384	P314-V316 HydrophobicContact CB-CG2 4.11Å; P314-V316 HydrophobicContact CG-CG2 3.96Å; P314-V316 PolarHBondContact O-N 3.19Å; P314-N377 WeakPolarHBondContact CA-O 3.34Å; P314-N377 WeakPolarHBondContact CB-O 3.28Å; P314-N377 WeakPolarHBondContact CD-OD1 3.23Å; P314-P379 HydrophobicContact CB-CB 4.14Å; P314-L384 HydrophobicContact CB-CB 4.38Å; P314-L384 HydrophobicContact CG-CB 3.97Å; P314-L384 HydrophobicContact CG-CD2 4.19Å; P314-L384 HydrophobicContact CG-CG 4.48Å
315	N	97.7	Very high	97.3	Very high	88 Å²	88	48.4 Å²	48.4	47%	0.471	22%	0.222	S	C	.	.			trans	-74.3	90.8	175.6	-174.2	-14	0	0	0	111.3	Q317 Y373	N315-Q317 PolarHBondContact OD1-NE2 3.33Å; N315-Y373 HydrophobicContact CB-CD1 3.9Å; N315-Y373 HydrophobicContact CB-CE1 4.34Å; N315-Y373 HydrophobicContact CB-CG 4.19Å
316	V	96.6	Very high	97.3	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	22%	0.215	C	C	.	.			trans	-125.4	88.4	179.6	-174.4	0	0	0	0	109.8	I154 P314 Y318 V319 N320 F334 P379	I154-V316 HydrophobicContact CD1-CB 4.5Å; I154-V316 HydrophobicContact CD1-CG1 4.24Å; I154-V316 HydrophobicContact CD1-CG2 3.45Å; I154-V316 VanDerWaalsContact CD1-CG2 3.45Å; I154-V316 HydrophobicContact CG2-CG1 3.68Å; I154-V316 HydrophobicContact CG2-CG2 4.47Å; P314-V316 HydrophobicContact CB-CG2 4.11Å; P314-V316 HydrophobicContact CG-CG2 3.96Å; P314-V316 PolarHBondContact O-N 3.19Å; V316-Y318 HydrophobicContact CG1-CD1 3.89Å; V316-Y318 HydrophobicContact CG1-CE1 3.56Å; V316-Y318 PolarHBondContact O-N 3Å; V316-V319 HydrophobicContact CG1-CB 4.19Å; V316-V319 HydrophobicContact CG1-CG2 3.73Å; V316-V319 PolarHBondContact O-N 3.37Å; V316-V319 VanDerWaalsContact O-N 3.11Å; V316-N320 PolarHBondContact O-N 2.84Å; V316-F334 HydrophobicContact CB-CE2 4.18Å; V316-F334 HydrophobicContact CB-CZ 4.21Å; V316-P379 HydrophobicContact CG2-CB 3.94Å
317	Q	95	Very high	97.1	Very high	108 Å²	108	47.6 Å²	47.6	51%	0.505	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-61.9	-35.8	-167.4	-68.6	-59.9	-44.9	0	0	114.8	N315 V319 N320	N315-Q317 PolarHBondContact OD1-NE2 3.33Å; Q317-V319 PolarHBondContact O-N 2.81Å; Q317-V319 VanDerWaalsContact O-N 3.16Å; Q317-N320 WeakPolarHBondContact O-CB 3.44Å; Q317-N320 PolarHBondContact O-N 3.02Å; Q317-N320 VanDerWaalsContact O-N 3.1Å
318	Y	93.8	Very high	96.8	Very high	41 Å²	41	42.5 Å²	42.5	16%	0.161	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-71.8	-9.7	-179.5	74.3	-90.9	0	0	0	114.1	I154 M199 A202 H277 V316 R321 H332	I154-Y318 HydrophobicContact CG2-CE1 3.4Å; I154-Y318 VanDerWaalsContact CG2-OH 3.23Å; I154-Y318 WeakPolarHBondContact CG2-OH 3.44Å; M199-Y318 HydrophobicContact CE-CD1 3.83Å; M199-Y318 HydrophobicContact CE-CD2 4.36Å; M199-Y318 HydrophobicContact CE-CE1 3.61Å; M199-Y318 HydrophobicContact CE-CE2 4.19Å; M199-Y318 HydrophobicContact CE-CG 4.2Å; A202-Y318 HydrophobicContact CB-CD2 4.4Å; H277-Y318 AromaticContact CD2-CE2 3.77Å; H277-Y318 PolarHBondContact CE1-OH 2.85Å; H277-Y318 AromaticContact NE2-CE2 3.73Å; H277-Y318 AromaticContact NE2-CZ 3.56Å; H277-Y318 PolarHBondContact NE2-OH 3.35Å; V316-Y318 HydrophobicContact CG1-CD1 3.89Å; V316-Y318 HydrophobicContact CG1-CE1 3.56Å; V316-Y318 PolarHBondContact O-N 3Å; Y318-R321 PolarHBondContact O-NE 2.81Å; Y318-R321 PolarHBondContact O-NH2 3.16Å; Y318-H332 AromaticContact CD2-CD2 3.92Å; Y318-H332 AromaticContact CE2-CD2 3.81Å
319	V	97.3	Very high	96.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-103.9	-7	174.5	-169.2	0	0	0	0	111.8	H277 T280 V316 Q317 R321 H332 S333 F334	H277-V319 HydrophobicContact CB-CG2 4.4Å; T280-V319 HydrophobicContact CG2-CG1 3.85Å; V316-V319 HydrophobicContact CG1-CB 4.19Å; V316-V319 HydrophobicContact CG1-CG2 3.73Å; V316-V319 PolarHBondContact O-N 3.37Å; V316-V319 VanDerWaalsContact O-N 3.11Å; Q317-V319 PolarHBondContact O-N 2.81Å; Q317-V319 VanDerWaalsContact O-N 3.16Å; V319-R321 PolarHBondContact O-N 2.76Å; V319-H332 CarbonylContact C-O 3.55Å; V319-H332 VanDerWaalsContact C-O 3.27Å; V319-H332 WeakPolarHBondContact CA-O 3.33Å; V319-H332 VanDerWaalsContact O-O 3.05Å; V319-S333 WeakPolarHBondContact O-CA 3.33Å; V319-F334 HydrophobicContact CB-CD2 3.98Å; V319-F334 HydrophobicContact CB-CE2 3.58Å; V319-F334 HydrophobicContact CB-CZ 3.9Å; V319-F334 HydrophobicContact CG1-CD1 3.86Å; V319-F334 HydrophobicContact CG1-CD2 3.74Å; V319-F334 HydrophobicContact CG1-CE1 3.82Å; V319-F334 HydrophobicContact CG1-CE2 3.65Å; V319-F334 HydrophobicContact CG1-CG 3.87Å; V319-F334 HydrophobicContact CG1-CZ 3.71Å; V319-F334 VanDerWaalsContact O-CD2 3.3Å; V319-F334 WeakPolarHBondContact O-CD2 3.23Å; V319-F334 PolarHBondContact O-N 2.83Å
320	N	97.9	Very high	96.7	Very high	46 Å²	46	40.3 Å²	40.3	25%	0.246	20%	0.198	C	C	.	.			trans	-82.9	97.8	171.6	175	12.8	0	0	0	109.2	V316 Q317 Q335 L371 Y373	V316-N320 PolarHBondContact O-N 2.84Å; Q317-N320 WeakPolarHBondContact O-CB 3.44Å; Q317-N320 PolarHBondContact O-N 3.02Å; Q317-N320 VanDerWaalsContact O-N 3.1Å; N320-Q335 PolarHBondContact OD1-NE2 3.04Å; N320-L371 HydrophobicContact CB-CD1 4.08Å; N320-L371 VanDerWaalsContact CG-CD1 3.43Å; N320-L371 WeakPolarHBondContact OD1-CD1 3.4Å; N320-Y373 PolarHBondContact ND2-OH 3Å
321	R	97.6	Very high	96.6	Very high	64 Å²	64	40.3 Å²	40.3	24%	0.242	20%	0.198	C	C	.	.			trans	-139.5	95	-178.7	-63	-175.8	-171.9	-84.9	-18.3	109.5	Y318 V319 F323 E329 H332 S333 Q335	Y318-R321 PolarHBondContact O-NE 2.81Å; Y318-R321 PolarHBondContact O-NH2 3.16Å; V319-R321 PolarHBondContact O-N 2.76Å; R321-F323 VanDerWaalsContact C-N 3.31Å; R321-F323 PolarHBondContact O-N 3.41Å; R321-E329 WeakPolarHBondContact CD-O 3.39Å; R321-E329 IonicContact NH1-OE1 2.68Å; R321-H332 VanDerWaalsContact CD-O 3.22Å; R321-H332 WeakPolarHBondContact CD-O 3.19Å; R321-H332 WeakPolarHBondContact CG-O 3.45Å; R321-S333 WeakPolarHBondContact O-CB 3.44Å; R321-S333 PolarHBondContact O-OG 3.14Å; R321-Q335 VanDerWaalsContact N-OE1 3.13Å; R321-Q335 PolarHBondContact O-OE1 2.98Å
322	S	97.5	Very high	96.6	Very high	51 Å²	51	40.5 Å²	40.5	36%	0.357	20%	0.199	S	C	.	.	S	Bend	trans	-65.7	-33.1	-172.7	-56.3	0	0	0	0	113.6	Q335 L366	S322-Q335 VanDerWaalsContact CA-NE2 3.35Å; S322-Q335 PolarHBondContact OG-NE2 3.15Å; S322-L366 WeakPolarHBondContact O-CD2 3.49Å
323	F	97.9	Very high	96.6	Very high	107 Å²	107	37.8 Å²	37.8	47%	0.469	19%	0.189	S	C	.	.	S	Bend	trans	-137	76	-177.5	-62.1	-77.8	0	0	0	109.2	R321 L366	R321-F323 VanDerWaalsContact C-N 3.31Å; R321-F323 PolarHBondContact O-N 3.41Å; F323-L366 HydrophobicContact CD1-CB 4.11Å; F323-L366 HydrophobicContact CD1-CD1 4.34Å; F323-L366 HydrophobicContact CE1-CB 3.85Å
324	P	97.2	Very high	96.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.189	C	C	.	.			trans	-69.5	138.6	177.4	29.8	-32.2	0	0	0	110.2	E329 A330 Y336 I357 R363	P324-E329 HydrophobicContact CB-CB 3.56Å; P324-A330 HydrophobicContact CB-CB 4.16Å; P324-A330 HydrophobicContact CG-CB 4.18Å; P324-Y336 HydrophobicContact CG-CD2 4.34Å; P324-Y336 HydrophobicContact CG-CG 4.2Å; P324-I357 HydrophobicContact CG-CG2 4.41Å; P324-I357 VanDerWaalsContact O-CG2 3.26Å; P324-I357 WeakPolarHBondContact O-CG2 3.4Å; P324-R363 PolarHBondContact O-NH1 2.93Å; P324-R363 PolarHBondContact O-NH2 3.03Å
325	D	93.3	Very high	96.6	Very high	100 Å²	100	37.8 Å²	37.8	54%	0.535	19%	0.188	S	C	.	.			trans	-112.6	-12.3	-177.6	-65.1	-28.8	0	0	0	112.8	E329 R363	D325-E329 PolarHBondContact N-OE2 3.26Å; D325-R363 IonicContact OD1-CZ 3.93Å; D325-R363 VanDerWaalsContact OD1-CZ 3.32Å; D325-R363 IonicContact OD1-NH1 3.82Å; D325-R363 PolarHBondContact OD1-NH1 3.17Å; D325-R363 IonicContact OD1-NH2 3.07Å; D325-R363 PolarHBondContact OD1-NH2 3.32Å
326	S	94.1	Very high	96.7	Very high	35 Å²	35	33.6 Å²	33.6	25%	0.245	17%	0.166	C	C	.	.	S	Bend	trans	-122.2	162.9	177	66.3	0	0	0	0	112.5	H328 E329 A330	S326-H328 VanDerWaalsContact C-N 3.34Å; S326-H328 PolarHBondContact O-N 2.74Å; S326-E329 PolarHBondContact N-OE2 3.47Å; S326-E329 PolarHBondContact O-N 2.69Å; S326-E329 WeakPolarHBondContact OG-CG 3.49Å; S326-E329 PolarHBondContact OG-N 3.07Å; S326-E329 PolarHBondContact OG-OE2 3.15Å; S326-A330 WeakPolarHBondContact O-CB 3.48Å; S326-A330 PolarHBondContact O-N 3.31Å
327	E	94.3	Very high	96.8	Very high	50 Å²	50	33.3 Å²	33.3	23%	0.234	16%	0.164	C	C	.	.	H	α-helix	trans	-50.5	-52.4	171.3	178.7	-173.8	137.5	0	0	111.6	E329 A330 R331 F352	E327-E329 VanDerWaalsContact C-N 3.31Å; E327-E329 PolarHBondContact O-N 3.32Å; E327-A330 PolarHBondContact O-N 3.35Å; E327-A330 VanDerWaalsContact O-N 3.17Å; E327-R331 VanDerWaalsContact O-CG 3.28Å; E327-R331 WeakPolarHBondContact O-CG 3.32Å; E327-R331 PolarHBondContact O-N 3.41Å; E327-R331 IonicContact OE1-CZ 2.75Å; E327-R331 IonicContact OE1-NE 3.36Å; E327-R331 PolarHBondContact OE1-NE 2.94Å; E327-R331 IonicContact OE1-NH2 2.64Å; E327-R331 PolarHBondContact OE1-NH2 3.09Å; E327-R331 IonicContact OE2-NH2 3.72Å; E327-F352 HydrophobicContact CG-CB 4.2Å; E327-F352 WeakPolarHBondContact CG-O 3.42Å
328	H	91.3	Very high	97	Very high	30 Å²	30	28.1 Å²	28.1	14%	0.139	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-35.5	-175.8	-63.8	-61.9	0	0	0	113	A203 Q205 S326 H332	A203-H328 WeakPolarHBondContact O-CB 3.32Å; Q205-H328 WeakPolarHBondContact CA-NE2 3.3Å; S326-H328 VanDerWaalsContact C-N 3.34Å; S326-H328 PolarHBondContact O-N 2.74Å; H328-H332 PolarHBondContact O-N 3.18Å; H328-H332 PolarHBondContact O-ND1 2.73Å
329	E	96.7	Very high	97.2	Very high	56 Å²	56	26.2 Å²	26.2	26%	0.262	13%	0.132	S	C	.	.	H	α-helix	trans	-71.3	-40.9	174.8	-70.7	-178.8	141	0	0	112.1	R321 P324 D325 S326 E327 R331 H332 S333	R321-E329 WeakPolarHBondContact CD-O 3.39Å; R321-E329 IonicContact NH1-OE1 2.68Å; P324-E329 HydrophobicContact CB-CB 3.56Å; D325-E329 PolarHBondContact N-OE2 3.26Å; S326-E329 PolarHBondContact N-OE2 3.47Å; S326-E329 PolarHBondContact O-N 2.69Å; S326-E329 WeakPolarHBondContact OG-CG 3.49Å; S326-E329 PolarHBondContact OG-N 3.07Å; S326-E329 PolarHBondContact OG-OE2 3.15Å; E327-E329 VanDerWaalsContact C-N 3.31Å; E327-E329 PolarHBondContact O-N 3.32Å; E329-R331 VanDerWaalsContact C-N 3.3Å; E329-R331 PolarHBondContact O-N 3.08Å; E329-H332 CarbonylContact O-C 3.58Å; E329-H332 WeakPolarHBondContact O-CA 3.43Å; E329-H332 PolarHBondContact O-N 3.43Å; E329-S333 WeakPolarHBondContact O-CB 3.28Å; E329-S333 PolarHBondContact O-N 2.86Å
330	A	98.3	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-37.1	177.5	0	0	0	0	0	111.9	P324 S326 E327 H332 S333 Y336 F352 I357	P324-A330 HydrophobicContact CB-CB 4.16Å; P324-A330 HydrophobicContact CG-CB 4.18Å; S326-A330 WeakPolarHBondContact O-CB 3.48Å; S326-A330 PolarHBondContact O-N 3.31Å; E327-A330 PolarHBondContact O-N 3.35Å; E327-A330 VanDerWaalsContact O-N 3.17Å; A330-H332 PolarHBondContact O-N 3.45Å; A330-S333 PolarHBondContact O-N 3.26Å; A330-Y336 HydrophobicContact CB-CD1 3.69Å; A330-Y336 HydrophobicContact CB-CE1 3.94Å; A330-Y336 HydrophobicContact CB-CG 4.12Å; A330-F352 HydrophobicContact CB-CD1 4.1Å; A330-I357 HydrophobicContact CB-CD1 3.4Å; A330-I357 HydrophobicContact CB-CG1 3.73Å; A330-I357 HydrophobicContact CB-CG2 4.4Å
331	R	98.1	Very high	97.3	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.011	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.1	171	-65.9	-175.6	-168.9	-55.8	1.3	113	M92 P275 A276 H277 E327 E329 F352	M92-R331 WeakPolarHBondContact O-CD 3.49Å; P275-R331 WeakPolarHBondContact O-CD 3.37Å; P275-R331 VanDerWaalsContact O-CG 3.27Å; P275-R331 WeakPolarHBondContact O-CG 3.3Å; P275-R331 PolarHBondContact O-NH1 2.86Å; A276-R331 HydrophobicContact CB-CB 4.42Å; H277-R331 WeakPolarHBondContact CB-O 3.45Å; H277-R331 PolarHBondContact N-O 3.08Å; E327-R331 VanDerWaalsContact O-CG 3.28Å; E327-R331 WeakPolarHBondContact O-CG 3.32Å; E327-R331 PolarHBondContact O-N 3.41Å; E327-R331 IonicContact OE1-CZ 2.75Å; E327-R331 IonicContact OE1-NE 3.36Å; E327-R331 PolarHBondContact OE1-NE 2.94Å; E327-R331 IonicContact OE1-NH2 2.64Å; E327-R331 PolarHBondContact OE1-NH2 3.09Å; E327-R331 IonicContact OE2-NH2 3.72Å; E329-R331 VanDerWaalsContact C-N 3.3Å; E329-R331 PolarHBondContact O-N 3.08Å; R331-F352 HydrophobicContact CB-CD1 4.46Å; R331-F352 HydrophobicContact CG-CB 4.38Å; R331-F352 HydrophobicContact CG-CD1 3.7Å; R331-F352 HydrophobicContact CG-CE1 4.23Å; R331-F352 HydrophobicContact CG-CG 4.08Å; R331-F352 VanDerWaalsContact NH1-CB 3.31Å; R331-F352 VanDerWaalsContact NH1-CD2 3.34Å
332	H	98.1	Very high	97.3	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.019	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	42	177.1	-61	86.9	0	0	0	111.4	A202 A203 K207 H277 Y318 V319 R321 H328 E329 A330	A202-H332 PolarHBondContact O-CE1 2.59Å; A202-H332 PolarHBondContact O-NE2 3.29Å; A203-H332 HydrophobicContact CB-CB 4.25Å; K207-H332 PolarHBondContact NZ-NE2 2.86Å; H277-H332 AromaticContact CD2-CD2 3.96Å; Y318-H332 AromaticContact CD2-CD2 3.92Å; Y318-H332 AromaticContact CE2-CD2 3.81Å; V319-H332 CarbonylContact C-O 3.55Å; V319-H332 VanDerWaalsContact C-O 3.27Å; V319-H332 WeakPolarHBondContact CA-O 3.33Å; V319-H332 VanDerWaalsContact O-O 3.05Å; R321-H332 VanDerWaalsContact CD-O 3.22Å; R321-H332 WeakPolarHBondContact CD-O 3.19Å; R321-H332 WeakPolarHBondContact CG-O 3.45Å; H328-H332 PolarHBondContact O-N 3.18Å; H328-H332 PolarHBondContact O-ND1 2.73Å; E329-H332 CarbonylContact O-C 3.58Å; E329-H332 WeakPolarHBondContact O-CA 3.43Å; E329-H332 PolarHBondContact O-N 3.43Å; A330-H332 PolarHBondContact O-N 3.45Å
333	S	98.8	Very high	97.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.			trans	-129	114.2	177.2	174.3	0	0	0	0	110.6	V319 R321 E329 A330 Q335 Y336 V337	V319-S333 WeakPolarHBondContact O-CA 3.33Å; R321-S333 WeakPolarHBondContact O-CB 3.44Å; R321-S333 PolarHBondContact O-OG 3.14Å; E329-S333 WeakPolarHBondContact O-CB 3.28Å; E329-S333 PolarHBondContact O-N 2.86Å; A330-S333 PolarHBondContact O-N 3.26Å; S333-Q335 VanDerWaalsContact C-N 3.28Å; S333-Q335 PolarHBondContact O-N 3.27Å; S333-Q335 PolarHBondContact OG-N 3.24Å; S333-Y336 VanDerWaalsContact OG-CB 3.27Å; S333-Y336 WeakPolarHBondContact OG-CB 3.41Å; S333-Y336 PolarHBondContact OG-N 2.7Å; S333-V337 WeakPolarHBondContact O-CG2 3.32Å; S333-V337 PolarHBondContact O-N 3.19Å
334	F	98.9	Very high	97.3	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-58.1	-45.4	169.3	-70.1	-58.6	0	0	0	111.3	C279 T280 V283 L311 I313 V316 V319 V337 A338	C279-F334 HydrophobicContact CB-CE1 3.42Å; C279-F334 VanDerWaalsContact CB-CE1 3.42Å; C279-F334 HydrophobicContact CB-CZ 3.76Å; T280-F334 HydrophobicContact CG2-CD1 4.15Å; V283-F334 HydrophobicContact CG2-CD1 3.59Å; V283-F334 HydrophobicContact CG2-CE1 4.2Å; V283-F334 HydrophobicContact CG2-CG 4.49Å; L311-F334 HydrophobicContact CD1-CB 4.28Å; I313-F334 HydrophobicContact CD1-CB 4.46Å; I313-F334 HydrophobicContact CD1-CD1 4.48Å; I313-F334 HydrophobicContact CD1-CD2 3.3Å; I313-F334 HydrophobicContact CD1-CE2 3.43Å; I313-F334 VanDerWaalsContact CD1-CE2 3.43Å; I313-F334 HydrophobicContact CD1-CG 3.87Å; I313-F334 HydrophobicContact CD1-CZ 4.07Å; I313-F334 HydrophobicContact CG2-CD1 4.5Å; V316-F334 HydrophobicContact CB-CE2 4.18Å; V316-F334 HydrophobicContact CB-CZ 4.21Å; V319-F334 HydrophobicContact CB-CD2 3.98Å; V319-F334 HydrophobicContact CB-CE2 3.58Å; V319-F334 HydrophobicContact CB-CZ 3.9Å; V319-F334 HydrophobicContact CG1-CD1 3.86Å; V319-F334 HydrophobicContact CG1-CD2 3.74Å; V319-F334 HydrophobicContact CG1-CE1 3.82Å; V319-F334 HydrophobicContact CG1-CE2 3.65Å; V319-F334 HydrophobicContact CG1-CG 3.87Å; V319-F334 HydrophobicContact CG1-CZ 3.71Å; V319-F334 VanDerWaalsContact O-CD2 3.3Å; V319-F334 WeakPolarHBondContact O-CD2 3.23Å; V319-F334 PolarHBondContact O-N 2.83Å; F334-V337 PolarHBondContact O-N 2.73Å; F334-A338 PolarHBondContact O-N 3.09Å
335	Q	98.8	Very high	97.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-45.8	-175	-59.4	93.4	-44.8	0	0	111.5	N320 R321 S322 S333 A338 C339 L366 V369 L371	N320-Q335 PolarHBondContact OD1-NE2 3.04Å; R321-Q335 VanDerWaalsContact N-OE1 3.13Å; R321-Q335 PolarHBondContact O-OE1 2.98Å; S322-Q335 VanDerWaalsContact CA-NE2 3.35Å; S322-Q335 PolarHBondContact OG-NE2 3.15Å; S333-Q335 VanDerWaalsContact C-N 3.28Å; S333-Q335 PolarHBondContact O-N 3.27Å; S333-Q335 PolarHBondContact OG-N 3.24Å; Q335-A338 PolarHBondContact O-N 3.11Å; Q335-C339 WeakPolarHBondContact O-CB 3.42Å; Q335-C339 PolarHBondContact O-N 3.05Å; Q335-C339 PolarHBondContact O-SG 3.23Å; Q335-L366 VanDerWaalsContact C-CD2 3.45Å; Q335-L366 HydrophobicContact CB-CD2 3.57Å; Q335-V369 HydrophobicContact CB-CB 4.38Å; Q335-V369 HydrophobicContact CB-CG1 4.07Å; Q335-V369 HydrophobicContact CB-CG2 4.48Å; Q335-V369 HydrophobicContact CG-CB 4.17Å; Q335-V369 HydrophobicContact CG-CG1 3.6Å; Q335-L371 HydrophobicContact CG-CD2 4.22Å
336	Y	98.9	Very high	97.3	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-49.1	179	-179.9	-106.9	0	0	0	111.9	P324 A330 S333 A338 C339 A340 A351 F352 I357 V362	P324-Y336 HydrophobicContact CG-CD2 4.34Å; P324-Y336 HydrophobicContact CG-CG 4.2Å; A330-Y336 HydrophobicContact CB-CD1 3.69Å; A330-Y336 HydrophobicContact CB-CE1 3.94Å; A330-Y336 HydrophobicContact CB-CG 4.12Å; S333-Y336 VanDerWaalsContact OG-CB 3.27Å; S333-Y336 WeakPolarHBondContact OG-CB 3.41Å; S333-Y336 PolarHBondContact OG-N 2.7Å; Y336-A338 VanDerWaalsContact C-N 3.3Å; Y336-A338 PolarHBondContact O-N 3.07Å; Y336-C339 PolarHBondContact O-N 3.21Å; Y336-C339 VanDerWaalsContact O-N 3.15Å; Y336-A340 HydrophobicContact CE1-CB 4.22Å; Y336-A340 HydrophobicContact CE2-CB 4.38Å; Y336-A340 VanDerWaalsContact O-CB 3.29Å; Y336-A340 WeakPolarHBondContact O-CB 3.39Å; Y336-A340 PolarHBondContact O-N 3.33Å; Y336-A351 WeakPolarHBondContact CE1-O 3.41Å; Y336-A351 VanDerWaalsContact CZ-O 3.28Å; Y336-A351 PolarHBondContact OH-O 3.5Å; Y336-F352 HydrophobicContact CD1-CD1 4.41Å; Y336-F352 HydrophobicContact CD1-CE1 4.18Å; Y336-F352 HydrophobicContact CE1-CD1 4.04Å; Y336-F352 HydrophobicContact CE1-CE1 4.07Å; Y336-I357 HydrophobicContact CE1-CG1 4.18Å; Y336-I357 HydrophobicContact CE2-CB 4.18Å; Y336-I357 HydrophobicContact CE2-CG1 4Å; Y336-I357 HydrophobicContact CE2-CG2 4.25Å; Y336-V362 HydrophobicContact CD2-CG1 3.9Å; Y336-V362 HydrophobicContact CE2-CG1 3.76Å
337	V	98.9	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.9	-38.9	-179.1	171	0	0	0	0	111.1	F274 T280 A284 S333 F334 M341 I347 F352	F274-V337 HydrophobicContact CE2-CG1 4.08Å; F274-V337 HydrophobicContact CE2-CG2 4.34Å; F274-V337 HydrophobicContact CZ-CG1 3.97Å; T280-V337 HydrophobicContact CG2-CB 4.49Å; T280-V337 HydrophobicContact CG2-CG2 4.12Å; T280-V337 WeakPolarHBondContact O-CG1 3.24Å; A284-V337 HydrophobicContact CB-CG1 3.78Å; S333-V337 WeakPolarHBondContact O-CG2 3.32Å; S333-V337 PolarHBondContact O-N 3.19Å; F334-V337 PolarHBondContact O-N 2.73Å; V337-M341 VanDerWaalsContact O-CB 3.26Å; V337-M341 WeakPolarHBondContact O-CB 3.36Å; V337-M341 PolarHBondContact O-N 2.92Å; V337-M341 VanDerWaalsContact O-N 3.07Å; V337-I347 HydrophobicContact CB-CD1 4.3Å; V337-I347 HydrophobicContact CG1-CD1 3.6Å; V337-I347 WeakPolarHBondContact O-CD1 3.26Å; V337-F352 HydrophobicContact CG2-CE1 4.25Å; V337-F352 HydrophobicContact CG2-CZ 4.35Å
338	A	98.9	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-51.5	171.8	0	0	0	0	0	111.8	V283 L311 F334 Q335 Y336 M341 L342	V283-A338 HydrophobicContact CG1-CB 3.6Å; L311-A338 HydrophobicContact CD1-CB 3.83Å; L311-A338 HydrophobicContact CD2-CB 3.88Å; L311-A338 HydrophobicContact CG-CB 4.44Å; F334-A338 PolarHBondContact O-N 3.09Å; Q335-A338 PolarHBondContact O-N 3.11Å; Y336-A338 VanDerWaalsContact C-N 3.3Å; Y336-A338 PolarHBondContact O-N 3.07Å; A338-M341 PolarHBondContact O-N 3.17Å; A338-L342 WeakPolarHBondContact O-CB 3.28Å; A338-L342 VanDerWaalsContact O-CG 3.25Å; A338-L342 WeakPolarHBondContact O-CG 3.26Å; A338-L342 PolarHBondContact O-N 2.95Å
339	C	98.8	Very high	97.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.1	-42.7	-175	-65.7	0	0	0	0	112.7	Q335 Y336 L342 L343 L365 L366 V369	Q335-C339 WeakPolarHBondContact O-CB 3.42Å; Q335-C339 PolarHBondContact O-N 3.05Å; Q335-C339 PolarHBondContact O-SG 3.23Å; Y336-C339 PolarHBondContact O-N 3.21Å; Y336-C339 VanDerWaalsContact O-N 3.15Å; C339-L342 PolarHBondContact O-N 3.12Å; C339-L343 VanDerWaalsContact O-CB 3.25Å; C339-L343 WeakPolarHBondContact O-CB 3.37Å; C339-L343 PolarHBondContact O-N 2.86Å; C339-L365 HydrophobicContact CB-CB 3.94Å; C339-L365 HydrophobicContact CB-CD1 4.38Å; C339-L366 HydrophobicContact CB-CD2 4.27Å; C339-L366 HydrophobicContact CB-CG 4.45Å; C339-V369 WeakPolarHBondContact SG-CG2 3.49Å
340	A	98.6	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.7	-44.7	175.8	0	0	0	0	0	110.9	Y336 L342 L343 D344 I347	Y336-A340 HydrophobicContact CE1-CB 4.22Å; Y336-A340 HydrophobicContact CE2-CB 4.38Å; Y336-A340 VanDerWaalsContact O-CB 3.29Å; Y336-A340 WeakPolarHBondContact O-CB 3.39Å; Y336-A340 PolarHBondContact O-N 3.33Å; A340-L342 PolarHBondContact O-N 3.43Å; A340-L343 PolarHBondContact O-N 3.44Å; A340-D344 WeakPolarHBondContact O-CB 3.14Å; A340-D344 PolarHBondContact O-N 3.49Å; A340-I347 HydrophobicContact CB-CD1 4.32Å; A340-I347 HydrophobicContact CB-CG1 4.47Å
341	M	98.6	Very high	97.5	Very high	17 Å²	17	19 Å²	19	8%	0.084	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-45.5	175.7	178.7	56.9	76.9	0	0	112.1	A284 A287 A288 R291 V337 A338 L343 G345 I347	A284-M341 HydrophobicContact CB-CE 3.87Å; A284-M341 WeakPolarHBondContact O-CG 3.29Å; A287-M341 HydrophobicContact CB-CB 3.85Å; A287-M341 HydrophobicContact CB-CG 3.67Å; A288-M341 HydrophobicContact CB-CE 4.19Å; A288-M341 HydrophobicContact CB-CG 4Å; A288-M341 HydrophobicContact CB-SD 3.74Å; R291-M341 WeakPolarHBondContact CD-O 3.45Å; V337-M341 VanDerWaalsContact O-CB 3.26Å; V337-M341 WeakPolarHBondContact O-CB 3.36Å; V337-M341 PolarHBondContact O-N 2.92Å; V337-M341 VanDerWaalsContact O-N 3.07Å; A338-M341 PolarHBondContact O-N 3.17Å; M341-L343 VanDerWaalsContact C-N 3.33Å; M341-L343 PolarHBondContact O-N 3.47Å; M341-G345 VanDerWaalsContact O-CA 3.24Å; M341-G345 WeakPolarHBondContact O-CA 3.35Å; M341-G345 PolarHBondContact O-N 2.82Å; M341-I347 HydrophobicContact CB-CD1 3.88Å; M341-I347 HydrophobicContact CB-CG1 4.2Å; M341-I347 HydrophobicContact CE-CB 4.35Å; M341-I347 HydrophobicContact CE-CD1 4.25Å; M341-I347 HydrophobicContact CE-CG1 3.95Å
342	L	98.2	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-44.6	177.6	-72.3	171.9	0	0	0	111.2	A287 V290 R291 L294 L301 I309 A338 C339 A340 I388 V390	A287-L342 HydrophobicContact CB-CD2 4.5Å; A287-L342 HydrophobicContact CB-CG 4.37Å; V290-L342 HydrophobicContact CG1-CD2 3.77Å; R291-L342 HydrophobicContact CB-CD2 4.19Å; R291-L342 VanDerWaalsContact CD-O 3.32Å; R291-L342 WeakPolarHBondContact CD-O 3.5Å; R291-L342 PolarHBondContact NE-O 3.42Å; L294-L342 HydrophobicContact CD1-CD2 4.08Å; L301-L342 HydrophobicContact CD1-CB 4.39Å; L301-L342 HydrophobicContact CD2-CB 3.87Å; I309-L342 HydrophobicContact CD1-CD1 3.79Å; I309-L342 HydrophobicContact CG1-CD1 4.41Å; A338-L342 WeakPolarHBondContact O-CB 3.28Å; A338-L342 VanDerWaalsContact O-CG 3.25Å; A338-L342 WeakPolarHBondContact O-CG 3.26Å; A338-L342 PolarHBondContact O-N 2.95Å; C339-L342 PolarHBondContact O-N 3.12Å; A340-L342 PolarHBondContact O-N 3.43Å; L342-I388 HydrophobicContact CD1-CD1 4.24Å; L342-V390 HydrophobicContact CD1-CG2 4.44Å
343	L	97.3	Very high	97.4	Very high	22 Å²	22	22.8 Å²	22.8	12%	0.115	14%	0.144	C	C	.	.	H	α-helix	trans	-69.7	-56.6	-176.7	-175.8	59.2	0	0	0	111.6	I303 C339 A340 M341 Q361 V362 L365	I303-L343 HydrophobicContact CD1-CD1 3.48Å; I303-L343 VanDerWaalsContact CD1-CD1 3.48Å; I303-L343 HydrophobicContact CG1-CD1 4.13Å; C339-L343 VanDerWaalsContact O-CB 3.25Å; C339-L343 WeakPolarHBondContact O-CB 3.37Å; C339-L343 PolarHBondContact O-N 2.86Å; A340-L343 PolarHBondContact O-N 3.44Å; M341-L343 VanDerWaalsContact C-N 3.33Å; M341-L343 PolarHBondContact O-N 3.47Å; L343-Q361 HydrophobicContact CD1-CB 4.41Å; L343-Q361 HydrophobicContact CD2-CB 3.96Å; L343-V362 HydrophobicContact CD2-CG2 3.64Å; L343-L365 HydrophobicContact CB-CD1 4.09Å
344	D	96.6	Very high	97.1	Very high	59 Å²	59	28.3 Å²	28.3	32%	0.316	17%	0.17	S	C	.	.	H	α-helix	trans	-90.7	-14.6	-167.8	-56.3	-37.4	0	0	0	113	A340 S346 R359	A340-D344 WeakPolarHBondContact O-CB 3.14Å; A340-D344 PolarHBondContact O-N 3.49Å; D344-S346 PolarHBondContact O-N 3.03Å; D344-S346 VanDerWaalsContact O-N 3.15Å; D344-R359 IonicContact OD1-CZ 3.66Å; D344-R359 IonicContact OD1-NH1 2.75Å; D344-R359 PolarHBondContact OD1-NH1 3.13Å; D344-R359 IonicContact OD1-NH2 3.27Å; D344-R359 PolarHBondContact OD1-NH2 2.92Å; D344-R359 IonicContact OD2-CZ 2.7Å; D344-R359 IonicContact OD2-NH1 2.7Å; D344-R359 IonicContact OD2-NH2 3.54Å; D344-R359 PolarHBondContact OD2-NH2 2.85Å
345	G	95.8	Very high	97	Very high	29 Å²	29	32.5 Å²	32.5	30%	0.299	20%	0.199	S	C	.	.	S	Bend	trans	71.9	-1.4	-177.7	0	0	0	0	0	115.2	R291 M341	R291-G345 VanDerWaalsContact NE-CA 3.27Å; M341-G345 VanDerWaalsContact O-CA 3.24Å; M341-G345 WeakPolarHBondContact O-CA 3.35Å; M341-G345 PolarHBondContact O-N 2.82Å
346	S	95.1	Very high	96.9	Very high	74 Å²	74	35.5 Å²	35.5	52%	0.517	21%	0.213	S	C	.	.			trans	-157	161.4	174.4	63.7	0	0	0	0	110.2	D344	D344-S346 PolarHBondContact O-N 3.03Å; D344-S346 VanDerWaalsContact O-N 3.15Å
347	I	96.6	Very high	96.9	Very high	20 Å²	20	35.5 Å²	35.5	10%	0.103	21%	0.213	C	C	.	.			trans	-128.9	128.7	171.9	-64.1	-179.6	0	0	0	108.3	F274 A284 V337 A340 M341 A351 F352	F274-I347 HydrophobicContact CB-CB 4.48Å; F274-I347 HydrophobicContact CB-CG2 3.74Å; F274-I347 HydrophobicContact CD1-CB 4.28Å; F274-I347 HydrophobicContact CD1-CG2 4.16Å; F274-I347 HydrophobicContact CD2-CG2 3.64Å; F274-I347 HydrophobicContact CE2-CG2 4.22Å; F274-I347 HydrophobicContact CG-CB 4.21Å; F274-I347 HydrophobicContact CG-CG2 3.58Å; A284-I347 HydrophobicContact CB-CD1 4.29Å; V337-I347 HydrophobicContact CB-CD1 4.3Å; V337-I347 HydrophobicContact CG1-CD1 3.6Å; V337-I347 WeakPolarHBondContact O-CD1 3.26Å; A340-I347 HydrophobicContact CB-CD1 4.32Å; A340-I347 HydrophobicContact CB-CG1 4.47Å; M341-I347 HydrophobicContact CB-CD1 3.88Å; M341-I347 HydrophobicContact CB-CG1 4.2Å; M341-I347 HydrophobicContact CE-CB 4.35Å; M341-I347 HydrophobicContact CE-CD1 4.25Å; M341-I347 HydrophobicContact CE-CG1 3.95Å; I347-A351 HydrophobicContact CG2-CB 4.01Å; I347-F352 HydrophobicContact CG2-CE2 3.67Å; I347-F352 HydrophobicContact CG2-CZ 3.87Å
348	A	94	Very high	96.8	Very high	52 Å²	52	38.8 Å²	38.8	43%	0.43	23%	0.23	S	C	.	.			trans	-137	-177.3	175.9	0	0	0	0	0	109.7	A351	A348-A351 WeakPolarHBondContact O-CB 3.46Å; A348-A351 PolarHBondContact O-N 3.07Å; A348-A351 VanDerWaalsContact O-N 3.09Å
349	V	94.6	Very high	96.7	Very high	36 Å²	36	41 Å²	41	22%	0.218	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-50.7	-48.4	-178.9	175.2	0	0	0	0	113.6	L43 M92 F94 P275 A351 F352	L43-V349 HydrophobicContact CD2-CG2 3.85Å; M92-V349 HydrophobicContact CE-CB 4.49Å; M92-V349 HydrophobicContact CE-CG1 3.42Å; M92-V349 VanDerWaalsContact CE-CG1 3.42Å; M92-V349 HydrophobicContact CE-CG2 4.39Å; F94-V349 HydrophobicContact CE1-CG2 3.83Å; P275-V349 HydrophobicContact CG-CB 4.33Å; P275-V349 HydrophobicContact CG-CG2 3.98Å; V349-A351 PolarHBondContact O-N 3.34Å; V349-A351 VanDerWaalsContact O-N 3.11Å; V349-F352 PolarHBondContact O-N 2.47Å
350	P	96.3	Very high	96.7	Very high	70 Å²	70	46.2 Å²	46.2	46%	0.455	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65.6	-17.7	-177.2	-22.2	35.4	0	0	0	114.2	F352 H353 Q356	P350-F352 PolarHBondContact O-N 3.47Å; P350-H353 WeakPolarHBondContact O-CB 3.37Å; P350-H353 PolarHBondContact O-N 3.42Å; P350-H353 VanDerWaalsContact O-N 3.07Å; P350-Q356 WeakPolarHBondContact O-CG 3.27Å
351	A	96.9	Very high	96.7	Very high	11 Å²	11	51 Å²	51	9%	0.091	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-61.9	-14	177.1	0	0	0	0	0	112.1	Y336 I347 A348 V349	Y336-A351 WeakPolarHBondContact CE1-O 3.41Å; Y336-A351 VanDerWaalsContact CZ-O 3.28Å; Y336-A351 PolarHBondContact OH-O 3.5Å; I347-A351 HydrophobicContact CG2-CB 4.01Å; A348-A351 WeakPolarHBondContact O-CB 3.46Å; A348-A351 PolarHBondContact O-N 3.07Å; A348-A351 VanDerWaalsContact O-N 3.09Å; V349-A351 PolarHBondContact O-N 3.34Å; V349-A351 VanDerWaalsContact O-N 3.11Å
352	F	98.1	Very high	96.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-104.1	7.5	178.2	-59.7	-85.9	0	0	0	113.3	F274 P275 A276 E327 A330 R331 Y336 V337 I347 V349 P350 I357	F274-F352 HydrophobicContact CB-CE2 4.41Å; F274-F352 AromaticContact CD2-CE2 3.96Å; F274-F352 HydrophobicContact CD2-CE2 3.96Å; F274-F352 AromaticContact CD2-CZ 3.74Å; F274-F352 HydrophobicContact CD2-CZ 3.74Å; F274-F352 HydrophobicContact CE2-CZ 4.23Å; P275-F352 HydrophobicContact CG-CD2 3.89Å; P275-F352 HydrophobicContact CG-CE2 4.1Å; A276-F352 HydrophobicContact CB-CE1 3.91Å; A276-F352 HydrophobicContact CB-CE2 4.45Å; A276-F352 HydrophobicContact CB-CZ 3.64Å; E327-F352 HydrophobicContact CG-CB 4.2Å; E327-F352 WeakPolarHBondContact CG-O 3.42Å; A330-F352 HydrophobicContact CB-CD1 4.1Å; R331-F352 HydrophobicContact CB-CD1 4.46Å; R331-F352 HydrophobicContact CG-CB 4.38Å; R331-F352 HydrophobicContact CG-CD1 3.7Å; R331-F352 HydrophobicContact CG-CE1 4.23Å; R331-F352 HydrophobicContact CG-CG 4.08Å; R331-F352 VanDerWaalsContact NH1-CB 3.31Å; R331-F352 VanDerWaalsContact NH1-CD2 3.34Å; Y336-F352 HydrophobicContact CD1-CD1 4.41Å; Y336-F352 HydrophobicContact CD1-CE1 4.18Å; Y336-F352 HydrophobicContact CE1-CD1 4.04Å; Y336-F352 HydrophobicContact CE1-CE1 4.07Å; V337-F352 HydrophobicContact CG2-CE1 4.25Å; V337-F352 HydrophobicContact CG2-CZ 4.35Å; I347-F352 HydrophobicContact CG2-CE2 3.67Å; I347-F352 HydrophobicContact CG2-CZ 3.87Å; V349-F352 PolarHBondContact O-N 2.47Å; P350-F352 PolarHBondContact O-N 3.47Å; F352-I357 WeakPolarHBondContact O-CD1 3.43Å
353	H	96.1	Very high	96.6	Very high	85 Å²	85	52.8 Å²	52.8	39%	0.394	30%	0.301	S	S	.	.	S	Bend	trans	-70.4	142.5	171.6	-63.1	176.3	0	0	0	110.3	P350 C355 Q356 I357	P350-H353 WeakPolarHBondContact O-CB 3.37Å; P350-H353 PolarHBondContact O-N 3.42Å; P350-H353 VanDerWaalsContact O-N 3.07Å; H353-C355 PolarHBondContact O-N 2.67Å; H353-C355 VanDerWaalsContact O-N 3.12Å; H353-Q356 WeakPolarHBondContact O-CA 3.24Å; H353-Q356 WeakPolarHBondContact O-CB 3.16Å; H353-Q356 PolarHBondContact O-N 2.63Å; H353-I357 WeakPolarHBondContact O-CG1 3.22Å; H353-I357 PolarHBondContact O-N 3.17Å
354	E	93.4	Very high	96.7	Very high	117 Å²	117	54.9 Å²	54.9	55%	0.547	31%	0.31	S	S	.	.	H	α-helix	trans	-53.7	-37.2	-177.7	-66.9	-176.7	-179.2	0	0	113	Q356 I357 N358	E354-Q356 VanDerWaalsContact C-N 3.26Å; E354-Q356 PolarHBondContact O-N 2.91Å; E354-I357 PolarHBondContact O-N 3.06Å; E354-N358 VanDerWaalsContact O-CB 3.27Å; E354-N358 WeakPolarHBondContact O-CB 3.43Å; E354-N358 VanDerWaalsContact O-CG 3.26Å; E354-N358 PolarHBondContact O-N 3.2Å; E354-N358 PolarHBondContact O-ND2 3.31Å; E354-N358 VanDerWaalsContact O-ND2 3.08Å
355	C	96	Very high	96.8	Very high	88 Å²	88	52 Å²	52	60%	0.595	30%	0.295	S	S	*	.	H	α-helix	trans	-63.9	-28.9	177	62.9	0	0	0	0	113.5	H353 R359	H353-C355 PolarHBondContact O-N 2.67Å; H353-C355 VanDerWaalsContact O-N 3.12Å; C355-R359 WeakPolarHBondContact O-CG 3.36Å
356	Q	98.1	Very high	96.9	Very high	65 Å²	65	50.8 Å²	50.8	30%	0.304	28%	0.281	S	S	.	.	H	α-helix	trans	-82.8	-38.7	175.5	-62.2	-56.6	-36.8	0	0	111.6	P350 H353 E354 N358 R359	P350-Q356 WeakPolarHBondContact O-CG 3.27Å; H353-Q356 WeakPolarHBondContact O-CA 3.24Å; H353-Q356 WeakPolarHBondContact O-CB 3.16Å; H353-Q356 PolarHBondContact O-N 2.63Å; E354-Q356 VanDerWaalsContact C-N 3.26Å; E354-Q356 PolarHBondContact O-N 2.91Å; Q356-N358 VanDerWaalsContact C-N 3.3Å; Q356-N358 PolarHBondContact O-N 3Å; Q356-R359 WeakPolarHBondContact O-CG 3.41Å; Q356-R359 PolarHBondContact O-N 2.88Å; Q356-R359 PolarHBondContact O-NE 3.4Å; Q356-R359 VanDerWaalsContact OE1-CZ 3.24Å; Q356-R359 VanDerWaalsContact OE1-NE 3.15Å
357	I	97.6	Very high	97.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-41.1	177.7	-64	162.8	0	0	0	110.9	P324 A330 Y336 F352 H353 E354 R359	P324-I357 HydrophobicContact CG-CG2 4.41Å; P324-I357 VanDerWaalsContact O-CG2 3.26Å; P324-I357 WeakPolarHBondContact O-CG2 3.4Å; A330-I357 HydrophobicContact CB-CD1 3.4Å; A330-I357 HydrophobicContact CB-CG1 3.73Å; A330-I357 HydrophobicContact CB-CG2 4.4Å; Y336-I357 HydrophobicContact CE1-CG1 4.18Å; Y336-I357 HydrophobicContact CE2-CB 4.18Å; Y336-I357 HydrophobicContact CE2-CG1 4Å; Y336-I357 HydrophobicContact CE2-CG2 4.25Å; F352-I357 WeakPolarHBondContact O-CD1 3.43Å; H353-I357 WeakPolarHBondContact O-CG1 3.22Å; H353-I357 PolarHBondContact O-N 3.17Å; E354-I357 PolarHBondContact O-N 3.06Å; I357-R359 VanDerWaalsContact C-N 3.35Å; I357-R359 PolarHBondContact O-N 2.94Å
358	N	96.8	Very high	97.2	Very high	70 Å²	70	51.6 Å²	51.6	37%	0.374	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	7.2	-173	-65.8	-33.9	0	0	0	114.6	E354 Q356 R363	E354-N358 VanDerWaalsContact O-CB 3.27Å; E354-N358 WeakPolarHBondContact O-CB 3.43Å; E354-N358 VanDerWaalsContact O-CG 3.26Å; E354-N358 PolarHBondContact O-N 3.2Å; E354-N358 PolarHBondContact O-ND2 3.31Å; E354-N358 VanDerWaalsContact O-ND2 3.08Å; Q356-N358 VanDerWaalsContact C-N 3.3Å; Q356-N358 PolarHBondContact O-N 3Å; N358-R363 PolarHBondContact OD1-NH2 3.41Å
359	R	98.2	Very high	97.4	Very high	45 Å²	45	50.1 Å²	50.1	17%	0.17	27%	0.27	C	S	.	.			trans	-58.7	134.3	178.3	-73.2	-178.9	-65.6	167.6	-3.6	110.6	D344 C355 Q356 I357 Q361 V362 R363	D344-R359 IonicContact OD1-CZ 3.66Å; D344-R359 IonicContact OD1-NH1 2.75Å; D344-R359 PolarHBondContact OD1-NH1 3.13Å; D344-R359 IonicContact OD1-NH2 3.27Å; D344-R359 PolarHBondContact OD1-NH2 2.92Å; D344-R359 IonicContact OD2-CZ 2.7Å; D344-R359 IonicContact OD2-NH1 2.7Å; D344-R359 IonicContact OD2-NH2 3.54Å; D344-R359 PolarHBondContact OD2-NH2 2.85Å; C355-R359 WeakPolarHBondContact O-CG 3.36Å; Q356-R359 WeakPolarHBondContact O-CG 3.41Å; Q356-R359 PolarHBondContact O-N 2.88Å; Q356-R359 PolarHBondContact O-NE 3.4Å; Q356-R359 VanDerWaalsContact OE1-CZ 3.24Å; Q356-R359 VanDerWaalsContact OE1-NE 3.15Å; I357-R359 VanDerWaalsContact C-N 3.35Å; I357-R359 PolarHBondContact O-N 2.94Å; R359-Q361 PolarHBondContact O-N 2.98Å; R359-V362 HydrophobicContact CB-CB 4.34Å; R359-V362 HydrophobicContact CB-CG2 4.01Å; R359-V362 WeakPolarHBondContact O-CB 3.39Å; R359-V362 PolarHBondContact O-N 2.92Å; R359-R363 PolarHBondContact O-N 2.95Å; R359-R363 VanDerWaalsContact O-N 3.1Å
360	P	98.1	Very high	97.6	Very high	111 Å²	111	52.9 Å²	52.9	72%	0.721	28%	0.281	S	S	*	.	H	α-helix	trans	-53.8	-39.8	178.5	-28.9	35.5	0	0	0	113.4	V362 R363 E364	P360-V362 VanDerWaalsContact C-N 3.35Å; P360-V362 PolarHBondContact O-N 3.34Å; P360-R363 PolarHBondContact O-N 2.87Å; P360-E364 WeakPolarHBondContact O-CB 3.41Å; P360-E364 PolarHBondContact O-N 3.2Å
361	Q	97.9	Very high	97.7	Very high	99 Å²	99	51.3 Å²	51.3	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-38.4	176.7	-72.5	177	-61.4	0	0	113.3	I303 L343 R359 L365	I303-Q361 HydrophobicContact CD1-CB 3.75Å; I303-Q361 HydrophobicContact CD1-CG 3.75Å; L343-Q361 HydrophobicContact CD1-CB 4.41Å; L343-Q361 HydrophobicContact CD2-CB 3.96Å; R359-Q361 PolarHBondContact O-N 2.98Å; Q361-L365 WeakPolarHBondContact O-CG 2.89Å; Q361-L365 PolarHBondContact O-N 3.27Å; Q361-L365 VanDerWaalsContact O-N 3.12Å
362	V	98.3	Very high	97.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-47	175	171.4	0	0	0	0	109.7	Y336 L343 R359 P360 E364 L365 L366	Y336-V362 HydrophobicContact CD2-CG1 3.9Å; Y336-V362 HydrophobicContact CE2-CG1 3.76Å; L343-V362 HydrophobicContact CD2-CG2 3.64Å; R359-V362 HydrophobicContact CB-CB 4.34Å; R359-V362 HydrophobicContact CB-CG2 4.01Å; R359-V362 WeakPolarHBondContact O-CB 3.39Å; R359-V362 PolarHBondContact O-N 2.92Å; P360-V362 VanDerWaalsContact C-N 3.35Å; P360-V362 PolarHBondContact O-N 3.34Å; V362-E364 VanDerWaalsContact C-N 3.28Å; V362-E364 PolarHBondContact O-N 2.86Å; V362-L365 PolarHBondContact O-N 3.15Å; V362-L366 HydrophobicContact CG1-CD1 3.84Å; V362-L366 HydrophobicContact CG1-CG 4.14Å; V362-L366 WeakPolarHBondContact O-CB 3.42Å; V362-L366 VanDerWaalsContact O-CG 3.3Å; V362-L366 WeakPolarHBondContact O-CG 3.17Å; V362-L366 PolarHBondContact O-N 2.99Å
363	R	97.9	Very high	97.8	Very high	55 Å²	55	58.5 Å²	58.5	21%	0.208	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-38.5	179.5	-62.7	-60.6	-176.2	159.7	3.5	112	P324 D325 N358 R359 P360 L366 S367	P324-R363 PolarHBondContact O-NH1 2.93Å; P324-R363 PolarHBondContact O-NH2 3.03Å; D325-R363 IonicContact OD1-CZ 3.93Å; D325-R363 VanDerWaalsContact OD1-CZ 3.32Å; D325-R363 IonicContact OD1-NH1 3.82Å; D325-R363 PolarHBondContact OD1-NH1 3.17Å; D325-R363 IonicContact OD1-NH2 3.07Å; D325-R363 PolarHBondContact OD1-NH2 3.32Å; N358-R363 PolarHBondContact OD1-NH2 3.41Å; R359-R363 PolarHBondContact O-N 2.95Å; R359-R363 VanDerWaalsContact O-N 3.1Å; P360-R363 PolarHBondContact O-N 2.87Å; R363-L366 PolarHBondContact O-N 2.84Å; R363-S367 PolarHBondContact O-N 2.84Å
364	E	98.3	Very high	98	Very high	66 Å²	66	55.5 Å²	55.5	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-46.9	174.2	-162.3	-156.2	139.7	0	0	111.6	I303 P360 V362 S367 K368	I303-E364 WeakPolarHBondContact CG2-OE1 3.35Å; I303-E364 WeakPolarHBondContact CG2-OE2 3.38Å; P360-E364 WeakPolarHBondContact O-CB 3.41Å; P360-E364 PolarHBondContact O-N 3.2Å; V362-E364 VanDerWaalsContact C-N 3.28Å; V362-E364 PolarHBondContact O-N 2.86Å; E364-S367 PolarHBondContact O-N 2.67Å; E364-S367 PolarHBondContact O-OG 2.93Å; E364-K368 IonicContact OE1-NZ 2.82Å; E364-K368 PolarHBondContact OE1-NZ 3.25Å
365	L	98.3	Very high	98.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64	-42.6	176	-73.5	174.4	0	0	0	112.5	L301 I303 I306 I309 C339 L343 Q361 V362 S367 K368	L301-L365 HydrophobicContact CD2-CD1 3.81Å; L301-L365 HydrophobicContact CD2-CD2 4.21Å; I303-L365 HydrophobicContact CB-CD2 4.46Å; I303-L365 HydrophobicContact CG1-CD1 4.45Å; I303-L365 HydrophobicContact CG1-CD2 4.46Å; I303-L365 HydrophobicContact CG2-CD2 3.85Å; I303-L365 HydrophobicContact CG2-CG 3.99Å; I306-L365 HydrophobicContact CD1-CD2 3.86Å; I309-L365 HydrophobicContact CD1-CD2 4.27Å; C339-L365 HydrophobicContact CB-CB 3.94Å; C339-L365 HydrophobicContact CB-CD1 4.38Å; L343-L365 HydrophobicContact CB-CD1 4.09Å; Q361-L365 WeakPolarHBondContact O-CG 2.89Å; Q361-L365 PolarHBondContact O-N 3.27Å; Q361-L365 VanDerWaalsContact O-N 3.12Å; V362-L365 PolarHBondContact O-N 3.15Å; L365-S367 PolarHBondContact O-N 3.12Å; L365-K368 WeakPolarHBondContact O-CB 3.19Å; L365-K368 PolarHBondContact O-N 3.01Å
366	L	98.7	Very high	98.3	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-37.2	178.4	-76.6	173.6	0	0	0	112.1	S322 F323 Q335 C339 V362 R363 K368 V369	S322-L366 WeakPolarHBondContact O-CD2 3.49Å; F323-L366 HydrophobicContact CD1-CB 4.11Å; F323-L366 HydrophobicContact CD1-CD1 4.34Å; F323-L366 HydrophobicContact CE1-CB 3.85Å; Q335-L366 VanDerWaalsContact C-CD2 3.45Å; Q335-L366 HydrophobicContact CB-CD2 3.57Å; C339-L366 HydrophobicContact CB-CD2 4.27Å; C339-L366 HydrophobicContact CB-CG 4.45Å; V362-L366 HydrophobicContact CG1-CD1 3.84Å; V362-L366 HydrophobicContact CG1-CG 4.14Å; V362-L366 WeakPolarHBondContact O-CB 3.42Å; V362-L366 VanDerWaalsContact O-CG 3.3Å; V362-L366 WeakPolarHBondContact O-CG 3.17Å; V362-L366 PolarHBondContact O-N 2.99Å; R363-L366 PolarHBondContact O-N 2.84Å; L366-K368 PolarHBondContact O-N 2.66Å; L366-K368 VanDerWaalsContact O-N 3.11Å; L366-V369 PolarHBondContact O-N 3.46Å; L366-V369 VanDerWaalsContact O-N 3.14Å
367	S	98.4	Very high	98.3	Very high	80 Å²	80	53.9 Å²	53.9	56%	0.559	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-12.5	177.4	74.8	0	0	0	0	114.4	R363 E364 L365	R363-S367 PolarHBondContact O-N 2.84Å; E364-S367 PolarHBondContact O-N 2.67Å; E364-S367 PolarHBondContact O-OG 2.93Å; L365-S367 PolarHBondContact O-N 3.12Å
368	K	98.6	Very high	98.3	Very high	30 Å²	30	58.4 Å²	58.4	13%	0.13	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	0.4	-179.9	-54.6	171.1	-171.8	177.9	0	112.3	I303 I306 I309 E364 L365 L366	I303-K368 PolarHBondContact O-NZ 2.8Å; I306-K368 HydrophobicContact CB-CD 4.43Å; I306-K368 HydrophobicContact CG2-CD 4.08Å; I306-K368 WeakPolarHBondContact O-CD 3.44Å; I306-K368 PolarHBondContact O-NZ 3Å; I309-K368 PolarHBondContact N-O 2.92Å; E364-K368 IonicContact OE1-NZ 2.82Å; E364-K368 PolarHBondContact OE1-NZ 3.25Å; L365-K368 WeakPolarHBondContact O-CB 3.19Å; L365-K368 PolarHBondContact O-N 3.01Å; L366-K368 PolarHBondContact O-N 2.66Å; L366-K368 VanDerWaalsContact O-N 3.11Å
369	V	98.9	Very high	98.3	Very high	21 Å²	21	56.3 Å²	56.3	13%	0.127	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127	-175.6	-176.6	0	0	0	0	111.6	I309 L311 Q335 C339 L366 L371	I309-V369 HydrophobicContact CB-CG2 4.18Å; I309-V369 HydrophobicContact CD1-CG2 4.25Å; I309-V369 HydrophobicContact CG2-CG2 4.34Å; I309-V369 CarbonylContact O-C 3.59Å; I309-V369 VanDerWaalsContact O-CA 3.3Å; I309-V369 WeakPolarHBondContact O-CA 3.38Å; L311-V369 HydrophobicContact CD1-CG1 3.79Å; L311-V369 HydrophobicContact CG-CG1 4.05Å; Q335-V369 HydrophobicContact CB-CB 4.38Å; Q335-V369 HydrophobicContact CB-CG1 4.07Å; Q335-V369 HydrophobicContact CB-CG2 4.48Å; Q335-V369 HydrophobicContact CG-CB 4.17Å; Q335-V369 HydrophobicContact CG-CG1 3.6Å; C339-V369 WeakPolarHBondContact SG-CG2 3.49Å; L366-V369 PolarHBondContact O-N 3.46Å; L366-V369 VanDerWaalsContact O-N 3.14Å; V369-L371 HydrophobicContact CG1-CD2 4.29Å
370	E	98.8	Very high	98.3	Very high	94 Å²	94	54.5 Å²	54.5	44%	0.439	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.5	171.4	-67.1	172.3	-160	0	0	109.4	R308 I309 V310 L311	R308-E370 VanDerWaalsContact CD-OE1 3.27Å; R308-E370 WeakPolarHBondContact CD-OE1 3.23Å; R308-E370 WeakPolarHBondContact CD-OE2 3.35Å; R308-E370 IonicContact NH1-OE2 3.86Å; I309-E370 PolarHBondContact O-N 3.21Å; V310-E370 WeakPolarHBondContact CA-O 3.32Å; V310-E370 HydrophobicContact CG2-CB 4.49Å; L311-E370 PolarHBondContact N-O 2.99Å
371	L	98.9	Very high	98.4	Very high	38 Å²	38	49.7 Å²	49.7	20%	0.199	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.8	176.9	-57.3	-176.2	0	0	0	110.4	L311 I313 N320 Q335 V369 Y373	L311-L371 HydrophobicContact CB-CD2 3.77Å; L311-L371 HydrophobicContact CD1-CD2 3.89Å; L311-L371 HydrophobicContact CG-CD2 4.26Å; L311-L371 WeakPolarHBondContact O-CA 3.37Å; I313-L371 HydrophobicContact CD1-CD1 4.11Å; I313-L371 HydrophobicContact CD1-CD2 4.05Å; I313-L371 HydrophobicContact CD1-CG 4.48Å; I313-L371 HydrophobicContact CG1-CD2 4.46Å; N320-L371 HydrophobicContact CB-CD1 4.08Å; N320-L371 VanDerWaalsContact CG-CD1 3.43Å; N320-L371 WeakPolarHBondContact OD1-CD1 3.4Å; Q335-L371 HydrophobicContact CG-CD2 4.22Å; V369-L371 HydrophobicContact CG1-CD2 4.29Å; L371-Y373 HydrophobicContact CB-CE1 4.41Å
372	E	98.8	Very high	98.4	Very high	75 Å²	75	47.9 Å²	47.9	35%	0.35	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144	171	-75.9	179.3	-174.1	0	0	109.2	V310 L311 R312 I313 P374	V310-E372 HydrophobicContact CG1-CB 4.25Å; V310-E372 HydrophobicContact CG1-CG 3.74Å; L311-E372 PolarHBondContact O-N 3Å; R312-E372 WeakPolarHBondContact CA-O 3.29Å; R312-E372 HydrophobicContact CG-CB 3.8Å; R312-E372 WeakPolarHBondContact CG-OE2 3.35Å; R312-E372 IonicContact CZ-OE2 3.87Å; R312-E372 VanDerWaalsContact CZ-OE2 3.27Å; R312-E372 IonicContact NE-OE2 3.6Å; R312-E372 PolarHBondContact NE-OE2 2.88Å; R312-E372 IonicContact NH2-OE1 3.81Å; R312-E372 IonicContact NH2-OE2 3.04Å; R312-E372 PolarHBondContact NH2-OE2 2.84Å; I313-E372 PolarHBondContact N-O 2.8Å; E372-P374 WeakPolarHBondContact O-CD 3.48Å
373	Y	98.7	Very high	98.3	Very high	86 Å²	86	51.3 Å²	51.3	34%	0.337	27%	0.274	S	S	.	.			trans	-119.3	83.6	-178.9	-52.2	-67.9	0	0	0	110.4	I313 N315 N320 L371	I313-Y373 HydrophobicContact CD1-CD1 4.47Å; I313-Y373 HydrophobicContact CD1-CE1 3.89Å; I313-Y373 HydrophobicContact CG1-CD1 4.24Å; I313-Y373 HydrophobicContact CG1-CE1 4.11Å; N315-Y373 HydrophobicContact CB-CD1 3.9Å; N315-Y373 HydrophobicContact CB-CE1 4.34Å; N315-Y373 HydrophobicContact CB-CG 4.19Å; N320-Y373 PolarHBondContact ND2-OH 3Å; L371-Y373 HydrophobicContact CB-CE1 4.41Å
374	P	98.6	Very high	98.4	Very high	23 Å²	23	48.8 Å²	48.8	15%	0.149	27%	0.265	C	S	.	.			trans	-56.3	134.7	176	-24.4	34.1	0	0	0	111.4	R312 E372 D376 N377 Y385	R312-P374 HydrophobicContact CB-CG 3.77Å; R312-P374 HydrophobicContact CG-CG 4.07Å; E372-P374 WeakPolarHBondContact O-CD 3.48Å; P374-D376 WeakPolarHBondContact CB-OD1 3.39Å; P374-D376 PolarHBondContact O-N 3.35Å; P374-D376 VanDerWaalsContact O-N 3.16Å; P374-N377 HydrophobicContact CB-CB 4.14Å; P374-N377 HydrophobicContact CG-CB 4.46Å; P374-N377 WeakPolarHBondContact O-CB 3.46Å; P374-N377 PolarHBondContact O-N 2.64Å; P374-Y385 WeakPolarHBondContact CB-OH 3.4Å; P374-Y385 WeakPolarHBondContact CG-OH 3.35Å
375	P	97.8	Very high	98.4	Very high	129 Å²	129	46.2 Å²	46.2	84%	0.838	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.2	-178	-25.6	34.6	0	0	0	114.8
376	D	98.1	Very high	98.4	Very high	100 Å²	100	46.2 Å²	46.2	54%	0.535	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14	176.9	69.5	-37.3	0	0	0	113.1	P374 L378 Y385	P374-D376 WeakPolarHBondContact CB-OD1 3.39Å; P374-D376 PolarHBondContact O-N 3.35Å; P374-D376 VanDerWaalsContact O-N 3.16Å; D376-L378 PolarHBondContact O-N 3.36Å; D376-L378 VanDerWaalsContact O-N 3.13Å; D376-Y385 PolarHBondContact OD1-OH 3.19Å; D376-Y385 PolarHBondContact OD2-OH 2.69Å
377	N	98.4	Very high	98.4	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	26%	0.261	C	S	.	.			trans	-88.2	78.1	-179	-159.7	-12.9	0	0	0	111.3	I313 P314 P374 L384 Y385	I313-N377 VanDerWaalsContact C-ND2 3.25Å; I313-N377 WeakPolarHBondContact CA-ND2 3.3Å; P314-N377 WeakPolarHBondContact CA-O 3.34Å; P314-N377 WeakPolarHBondContact CB-O 3.28Å; P314-N377 WeakPolarHBondContact CD-OD1 3.23Å; P374-N377 HydrophobicContact CB-CB 4.14Å; P374-N377 HydrophobicContact CG-CB 4.46Å; P374-N377 WeakPolarHBondContact O-CB 3.46Å; P374-N377 PolarHBondContact O-N 2.64Å; N377-L384 WeakPolarHBondContact OD1-CA 3.43Å; N377-Y385 HydrophobicContact CB-CD1 4.1Å; N377-Y385 HydrophobicContact CB-CE1 3.53Å; N377-Y385 PolarHBondContact ND2-O 2.78Å; N377-Y385 PolarHBondContact OD1-N 2.8Å; N377-Y385 VanDerWaalsContact OD1-N 3.13Å
378	L	98	Very high	98.4	Very high	94 Å²	94	44.3 Å²	44.3	49%	0.492	24%	0.235	S	C	.	.			trans	-69	144.8	-178.9	-57.8	179.7	0	0	0	111.6	D376 S380 L384	D376-L378 PolarHBondContact O-N 3.36Å; D376-L378 VanDerWaalsContact O-N 3.13Å; L378-S380 PolarHBondContact O-N 2.85Å; L378-L384 WeakPolarHBondContact O-CB 3.4Å
379	P	97.7	Very high	98.5	Very high	27 Å²	27	43.2 Å²	43.2	18%	0.175	23%	0.231	C	C	.	.	S	Bend	trans	-77.5	52.7	-178.1	35.4	-38.2	0	0	0	112.5	D153 I154 P314 V316	D153-P379 CarbonylContact C-O 3.59Å; D153-P379 VanDerWaalsContact CA-O 3.29Å; D153-P379 WeakPolarHBondContact CA-O 3.35Å; D153-P379 HydrophobicContact CB-CG 4.5Å; I154-P379 HydrophobicContact CD1-CB 4.35Å; I154-P379 VanDerWaalsContact CG1-O 3.32Å; I154-P379 WeakPolarHBondContact CG1-O 3.46Å; I154-P379 PolarHBondContact N-O 2.83Å; P314-P379 HydrophobicContact CB-CB 4.14Å; V316-P379 HydrophobicContact CG2-CB 3.94Å
380	S	98.2	Very high	98.4	Very high	7 Å²	7	42.2 Å²	42.2	5%	0.049	23%	0.225	C	C	.	.			trans	-122.8	131.5	174.5	-178.3	0	0	0	0	109.7	K152 L378 N382 T383 L384	K152-S380 WeakPolarHBondContact O-CB 3.48Å; K152-S380 PolarHBondContact O-OG 3.23Å; L378-S380 PolarHBondContact O-N 2.85Å; S380-N382 PolarHBondContact O-N 3.28Å; S380-N382 PolarHBondContact OG-N 2.81Å; S380-T383 PolarHBondContact O-N 3.05Å; S380-L384 VanDerWaalsContact O-CB 3.29Å; S380-L384 WeakPolarHBondContact O-CB 3.49Å; S380-L384 WeakPolarHBondContact O-CG 3.26Å; S380-L384 PolarHBondContact O-N 3.13Å
381	F	98.3	Very high	98.4	Very high	10 Å²	10	38.4 Å²	38.4	4%	0.044	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.9	175.4	-64.2	-47.6	0	0	0	112.9	T97 A101 I154 H277 L278 C279 W282 L384 H408 W409	T97-F381 HydrophobicContact CG2-CD2 4.07Å; T97-F381 HydrophobicContact CG2-CE2 3.77Å; T97-F381 HydrophobicContact CG2-CZ 4.4Å; A101-F381 HydrophobicContact CB-CD2 3.89Å; A101-F381 HydrophobicContact CB-CE2 3.71Å; I154-F381 HydrophobicContact CD1-CD1 4.49Å; I154-F381 HydrophobicContact CD1-CE1 4.09Å; I154-F381 HydrophobicContact CD1-CZ 4.44Å; I154-F381 HydrophobicContact CG1-CE1 4.19Å; I154-F381 HydrophobicContact CG1-CE2 4.47Å; I154-F381 HydrophobicContact CG1-CZ 4.09Å; H277-F381 AromaticContact CE1-CE1 3.85Å; H277-F381 AromaticContact CE1-CZ 3.78Å; L278-F381 HydrophobicContact CB-CD1 4.26Å; L278-F381 HydrophobicContact CB-CE1 3.72Å; L278-F381 HydrophobicContact CB-CZ 4.03Å; L278-F381 HydrophobicContact CD2-CB 4.43Å; L278-F381 HydrophobicContact CD2-CD1 3.83Å; L278-F381 HydrophobicContact CD2-CD2 4.29Å; L278-F381 HydrophobicContact CD2-CE1 4.1Å; L278-F381 HydrophobicContact CD2-CG 3.95Å; L278-F381 HydrophobicContact CD2-CZ 4.46Å; L278-F381 HydrophobicContact CG-CD1 4.44Å; L278-F381 HydrophobicContact CG-CE1 4.39Å; C279-F381 WeakPolarHBondContact SG-CE1 3.47Å; W282-F381 HydrophobicContact CH2-CB 4.11Å; W282-F381 AromaticContact CH2-CD1 3.93Å; W282-F381 HydrophobicContact CH2-CD1 3.93Å; W282-F381 HydrophobicContact CH2-CG 4.46Å; W282-F381 WeakPolarHBondContact CZ2-O 3.35Å; W282-F381 AromaticContact CZ3-CD1 3.92Å; W282-F381 HydrophobicContact CZ3-CD1 3.92Å; F381-L384 HydrophobicContact CD1-CD2 3.81Å; F381-L384 HydrophobicContact CE1-CD2 4.47Å; F381-H408 PolarHBondContact O-NE2 3.15Å; F381-W409 HydrophobicContact CB-CH2 3.46Å; F381-W409 VanDerWaalsContact CB-CH2 3.46Å; F381-W409 HydrophobicContact CB-CZ2 3.94Å; F381-W409 HydrophobicContact CG-CH2 4.42Å
382	N	97.8	Very high	98.4	Very high	60 Å²	60	37.3 Å²	37.3	32%	0.321	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.6	179.5	-161.5	46.3	0	0	0	113.9	S380 W409 R410	S380-N382 PolarHBondContact O-N 3.28Å; S380-N382 PolarHBondContact OG-N 2.81Å; N382-W409 HydrophobicContact CB-CZ2 4.21Å; N382-W409 PolarHBondContact OD1-NE1 2.98Å; N382-W409 VanDerWaalsContact OD1-NE1 3.17Å; N382-R410 PolarHBondContact O-NH1 3.42Å; N382-R410 PolarHBondContact OD1-NH1 3.04Å
383	T	98	Very high	98.3	Very high	72 Å²	72	39.9 Å²	39.9	44%	0.442	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-17.9	-175.1	57.1	0	0	0	0	114.4	S380	S380-T383 PolarHBondContact O-N 3.05Å
384	L	98.3	Very high	98.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.221	C	C	.	.			trans	-64.2	154.1	-176.6	77.7	83.6	0	0	0	111.8	I154 W282 P314 N377 L378 S380 F381	I154-L384 HydrophobicContact CD1-CD2 4.27Å; W282-L384 HydrophobicContact CB-CD1 4.24Å; W282-L384 HydrophobicContact CD2-CD1 3.31Å; W282-L384 HydrophobicContact CD2-CG 4.31Å; W282-L384 HydrophobicContact CE3-CD1 3.55Å; W282-L384 HydrophobicContact CE3-CG 4.41Å; W282-L384 HydrophobicContact CG-CD1 3.66Å; W282-L384 HydrophobicContact CH2-CD1 4.16Å; W282-L384 HydrophobicContact CH2-CD2 4.3Å; W282-L384 HydrophobicContact CH2-CG 4.18Å; W282-L384 HydrophobicContact CZ2-CD1 3.99Å; W282-L384 HydrophobicContact CZ2-CG 4.11Å; W282-L384 HydrophobicContact CZ3-CD1 3.94Å; W282-L384 HydrophobicContact CZ3-CD2 4.2Å; W282-L384 HydrophobicContact CZ3-CG 4.32Å; W282-L384 PolarHBondContact NE1-O 3.07Å; P314-L384 HydrophobicContact CB-CB 4.38Å; P314-L384 HydrophobicContact CG-CB 3.97Å; P314-L384 HydrophobicContact CG-CD2 4.19Å; P314-L384 HydrophobicContact CG-CG 4.48Å; N377-L384 WeakPolarHBondContact OD1-CA 3.43Å; L378-L384 WeakPolarHBondContact O-CB 3.4Å; S380-L384 VanDerWaalsContact O-CB 3.29Å; S380-L384 WeakPolarHBondContact O-CB 3.49Å; S380-L384 WeakPolarHBondContact O-CG 3.26Å; S380-L384 PolarHBondContact O-N 3.13Å; F381-L384 HydrophobicContact CD1-CD2 3.81Å; F381-L384 HydrophobicContact CE1-CD2 4.47Å
385	Y	98.8	Very high	97.9	Very high	12 Å²	12	41.7 Å²	41.7	5%	0.047	24%	0.238	C	C	.	.			trans	-136.4	169.3	172.7	64.3	-92.2	0	0	0	110.2	P374 D376 N377 E387 R401 S402 D403	P374-Y385 WeakPolarHBondContact CB-OH 3.4Å; P374-Y385 WeakPolarHBondContact CG-OH 3.35Å; D376-Y385 PolarHBondContact OD1-OH 3.19Å; D376-Y385 PolarHBondContact OD2-OH 2.69Å; N377-Y385 HydrophobicContact CB-CD1 4.1Å; N377-Y385 HydrophobicContact CB-CE1 3.53Å; N377-Y385 PolarHBondContact ND2-O 2.78Å; N377-Y385 PolarHBondContact OD1-N 2.8Å; N377-Y385 VanDerWaalsContact OD1-N 3.13Å; Y385-E387 HydrophobicContact CD2-CB 4.47Å; Y385-E387 HydrophobicContact CE2-CB 4.38Å; Y385-R401 VanDerWaalsContact CD1-NH2 3.26Å; Y385-R401 HydrophobicContact CD2-CG 4.26Å; Y385-S402 WeakPolarHBondContact CA-O 3.5Å; Y385-S402 WeakPolarHBondContact CB-O 3.25Å; Y385-D403 WeakPolarHBondContact CB-OD1 3.29Å
386	C	98.9	Very high	97.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.6	163.1	179.4	0	0	0	0	109.5	W282 V283 A286 R312 I313 R401 S402	W282-C386 HydrophobicContact CB-CB 3.84Å; V283-C386 HydrophobicContact CG2-CB 4.12Å; A286-C386 HydrophobicContact CB-CB 4.37Å; R312-C386 WeakPolarHBondContact O-CA 3.33Å; I313-C386 HydrophobicContact CG2-CB 4.39Å; C386-R401 CarbonylContact O-C 3.52Å; C386-R401 WeakPolarHBondContact O-CA 2.97Å; C386-S402 PolarHBondContact N-O 2.86Å; C386-S402 PolarHBondContact O-N 3.32Å
387	E	98.9	Very high	97.8	Very high	42 Å²	42	36 Å²	36	20%	0.196	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.3	164.6	179.9	-177.4	105	0	0	109.1	R312 Y385 T399 H400 R401	R312-E387 HydrophobicContact CB-CB 4.03Å; R312-E387 WeakPolarHBondContact CB-O 3.49Å; R312-E387 VanDerWaalsContact CD-OE1 3.27Å; R312-E387 WeakPolarHBondContact CD-OE1 3.32Å; R312-E387 IonicContact CZ-OE1 3.79Å; R312-E387 PolarHBondContact N-O 3.12Å; R312-E387 IonicContact NE-OE1 3.32Å; R312-E387 IonicContact NH1-OE1 2.74Å; R312-E387 PolarHBondContact NH1-OE1 3.18Å; R312-E387 PolarHBondContact O-N 3.13Å; Y385-E387 HydrophobicContact CD2-CB 4.47Å; Y385-E387 HydrophobicContact CE2-CB 4.38Å; E387-T399 HydrophobicContact CG-CG2 3.67Å; E387-H400 CarbonylContact C-O 2.93Å; E387-H400 WeakPolarHBondContact CA-O 3.46Å; E387-H400 WeakPolarHBondContact CG-O 3.16Å; E387-R401 HydrophobicContact CB-CB 4.04Å; E387-R401 HydrophobicContact CB-CG 4.16Å; E387-R401 HydrophobicContact CG-CB 4.09Å
388	I	98.9	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.2	178.5	-175.4	165.8	0	0	0	109.1	A286 A287 V290 I309 V310 L311 L342 V390 T399 H400	A286-I388 HydrophobicContact CB-CB 4.45Å; A286-I388 HydrophobicContact CB-CG2 3.81Å; A286-I388 WeakPolarHBondContact O-CG2 3.4Å; A287-I388 HydrophobicContact CB-CD1 4.03Å; V290-I388 HydrophobicContact CB-CG2 3.91Å; V290-I388 HydrophobicContact CG1-CD1 4.04Å; V290-I388 HydrophobicContact CG1-CG1 4.29Å; V290-I388 HydrophobicContact CG1-CG2 3.61Å; I309-I388 HydrophobicContact CG2-CD1 4.02Å; I309-I388 HydrophobicContact CG2-CG1 4.17Å; V310-I388 CarbonylContact O-C 3.58Å; V310-I388 WeakPolarHBondContact O-CA 3.29Å; L311-I388 HydrophobicContact CD2-CB 4.05Å; L311-I388 HydrophobicContact CD2-CD1 3.69Å; L311-I388 HydrophobicContact CD2-CG1 3.72Å; L342-I388 HydrophobicContact CD1-CD1 4.24Å; I388-V390 HydrophobicContact CD1-CG2 4.27Å; I388-V390 HydrophobicContact CG1-CG2 4.13Å; I388-T399 VanDerWaalsContact O-CA 3.26Å; I388-T399 WeakPolarHBondContact O-CA 3.46Å; I388-H400 HydrophobicContact CG2-CB 4.42Å; I388-H400 PolarHBondContact N-O 3.46Å; I388-H400 PolarHBondContact O-N 3.48Å
389	S	98.8	Very high	97.8	Very high	7 Å²	7	37.3 Å²	37.3	5%	0.049	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.7	170.5	-60.2	0	0	0	0	110	I309 V310 R312 F398 T399	I309-S389 CarbonylContact C-O 3.56Å; I309-S389 WeakPolarHBondContact CA-O 3.39Å; V310-S389 PolarHBondContact N-O 2.93Å; V310-S389 PolarHBondContact O-N 2.86Å; R312-S389 PolarHBondContact NH1-OG 3Å; S389-F398 CarbonylContact C-O 3.49Å; S389-F398 WeakPolarHBondContact CA-O 3.49Å; S389-T399 WeakPolarHBondContact OG-CG2 3.48Å; S389-T399 PolarHBondContact OG-OG1 3.05Å
390	V	98.7	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.1	177.4	-175.6	0	0	0	0	108.6	V290 L294 I306 I309 L342 I388 T397 F398	V290-V390 HydrophobicContact CG1-CG2 4.03Å; V290-V390 HydrophobicContact CG2-CB 4.44Å; V290-V390 HydrophobicContact CG2-CG2 4.1Å; L294-V390 HydrophobicContact CD1-CB 4.16Å; L294-V390 HydrophobicContact CD1-CG1 3.9Å; L294-V390 HydrophobicContact CD1-CG2 4.17Å; L294-V390 HydrophobicContact CD2-CG1 4.25Å; I306-V390 HydrophobicContact CD1-CG1 4.29Å; I306-V390 HydrophobicContact CG1-CG1 4.07Å; I306-V390 HydrophobicContact CG2-CG1 3.97Å; I309-V390 HydrophobicContact CG1-CG1 4.39Å; I309-V390 HydrophobicContact CG1-CG2 4.4Å; L342-V390 HydrophobicContact CD1-CG2 4.44Å; I388-V390 HydrophobicContact CD1-CG2 4.27Å; I388-V390 HydrophobicContact CG1-CG2 4.13Å; V390-T397 WeakPolarHBondContact O-CA 3.45Å; V390-F398 PolarHBondContact N-O 3.3Å; V390-F398 PolarHBondContact O-N 3.05Å
391	T	98.5	Very high	97.9	Very high	14 Å²	14	43.7 Å²	43.7	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.2	176.4	-58.3	0	0	0	0	109.8	K307 R308 A396 T397	K307-T391 WeakPolarHBondContact CA-O 3.29Å; K307-T391 WeakPolarHBondContact CB-O 3.11Å; K307-T391 PolarHBondContact N-O 3.45Å; R308-T391 PolarHBondContact N-O 3.16Å; R308-T391 VanDerWaalsContact N-O 3.12Å; R308-T391 PolarHBondContact O-N 3.36Å; T391-A396 CarbonylContact C-O 3.38Å; T391-A396 WeakPolarHBondContact CA-O 3.49Å; T391-T397 PolarHBondContact OG1-OG1 2.89Å
392	L	97.4	Very high	97.9	Very high	16 Å²	16	43.4 Å²	43.4	8%	0.084	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	167.3	176.4	-60.7	-173.5	0	0	0	111.8	L294 Y305 I306 D394 G395 A396 F398	L294-L392 HydrophobicContact CD2-CD2 4.02Å; Y305-L392 HydrophobicContact CD1-CB 3.97Å; Y305-L392 HydrophobicContact CD1-CD1 4.01Å; Y305-L392 HydrophobicContact CD1-CD2 4.28Å; Y305-L392 HydrophobicContact CD1-CG 4.31Å; Y305-L392 HydrophobicContact CE1-CB 4.11Å; Y305-L392 HydrophobicContact CE1-CD1 4.22Å; Y305-L392 CarbonylContact O-C 3.52Å; Y305-L392 WeakPolarHBondContact O-CA 3.37Å; I306-L392 HydrophobicContact CG1-CD2 4.03Å; L392-D394 VanDerWaalsContact C-N 3.3Å; L392-D394 VanDerWaalsContact CB-OD1 3.22Å; L392-D394 WeakPolarHBondContact CB-OD1 3.34Å; L392-D394 PolarHBondContact O-N 3.24Å; L392-G395 PolarHBondContact O-N 3.4Å; L392-G395 VanDerWaalsContact O-N 3.09Å; L392-A396 HydrophobicContact CB-CB 4.48Å; L392-A396 HydrophobicContact CD1-CB 4.35Å; L392-A396 PolarHBondContact N-O 3.12Å; L392-F398 HydrophobicContact CD1-CE2 3.78Å; L392-F398 HydrophobicContact CG-CE2 4.32Å
393	K	96.8	Very high	97.9	Very high	129 Å²	129	44.2 Å²	44.2	56%	0.561	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.6	-179.5	-78.7	-179.1	176	170.9	0	113.9	D304 Y305 K307 G395	D304-K393 WeakPolarHBondContact O-CD 3.48Å; D304-K393 WeakPolarHBondContact O-CE 3.38Å; D304-K393 PolarHBondContact O-NZ 3.19Å; Y305-K393 HydrophobicContact CD2-CB 4.02Å; Y305-K393 HydrophobicContact CD2-CD 4.42Å; Y305-K393 HydrophobicContact CE2-CB 3.97Å; Y305-K393 WeakPolarHBondContact O-CG 3.41Å; Y305-K393 PolarHBondContact O-N 3.05Å; K307-K393 HydrophobicContact CB-CG 4.17Å; K393-G395 PolarHBondContact O-N 3.23Å
394	D	94.7	Very high	98	Very high	97 Å²	97	42.7 Å²	42.7	52%	0.519	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-6.7	170.9	56	11.9	0	0	0	113.9	Y305 L392 A396	Y305-D394 HydrophobicContact CE1-CB 4.31Å; Y305-D394 VanDerWaalsContact OH-CB 3.3Å; Y305-D394 WeakPolarHBondContact OH-CB 3.45Å; Y305-D394 PolarHBondContact OH-OD2 2.98Å; L392-D394 VanDerWaalsContact C-N 3.3Å; L392-D394 VanDerWaalsContact CB-OD1 3.22Å; L392-D394 WeakPolarHBondContact CB-OD1 3.34Å; L392-D394 PolarHBondContact O-N 3.24Å; D394-A396 VanDerWaalsContact OD1-CB 3.3Å; D394-A396 WeakPolarHBondContact OD1-CB 3.34Å; D394-A396 PolarHBondContact OD1-N 3.41Å
395	G	94.4	Very high	98	Very high	50 Å²	50	42.9 Å²	42.9	52%	0.515	23%	0.233	S	C	.	.	S	Bend	trans	93.6	-7.4	-177.8	0	0	0	0	0	114.6	L392 K393 T397	L392-G395 PolarHBondContact O-N 3.4Å; L392-G395 VanDerWaalsContact O-N 3.09Å; K393-G395 PolarHBondContact O-N 3.23Å; G395-T397 PolarHBondContact O-N 2.9Å
396	A	95.9	Very high	98	Very high	38 Å²	38	44.5 Å²	44.5	31%	0.314	24%	0.239	S	C	.	.			trans	-60.2	138.2	173.2	0	0	0	0	0	110.2	T391 L392 D394 F398	T391-A396 CarbonylContact C-O 3.38Å; T391-A396 WeakPolarHBondContact CA-O 3.49Å; L392-A396 HydrophobicContact CB-CB 4.48Å; L392-A396 HydrophobicContact CD1-CB 4.35Å; L392-A396 PolarHBondContact N-O 3.12Å; D394-A396 VanDerWaalsContact OD1-CB 3.3Å; D394-A396 WeakPolarHBondContact OD1-CB 3.34Å; D394-A396 PolarHBondContact OD1-N 3.41Å; A396-F398 HydrophobicContact CB-CE2 4.31Å
397	T	98	Very high	98	Very high	72 Å²	72	44.4 Å²	44.4	44%	0.442	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	129	179.1	-62	0	0	0	0	110.1	V390 T391 G395	V390-T397 WeakPolarHBondContact O-CA 3.45Å; T391-T397 PolarHBondContact OG1-OG1 2.89Å; G395-T397 PolarHBondContact O-N 2.9Å
398	F	97.8	Very high	98	Very high	61 Å²	61	42.4 Å²	42.4	27%	0.268	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.7	175.7	-58.9	-83.2	0	0	0	109.2	V290 N293 L294 S389 V390 L392 A396	V290-F398 HydrophobicContact CG2-CB 3.6Å; V290-F398 WeakPolarHBondContact CG2-O 3.47Å; N293-F398 HydrophobicContact CB-CB 4.34Å; N293-F398 HydrophobicContact CB-CD1 3.5Å; N293-F398 VanDerWaalsContact CB-CD1 3.5Å; N293-F398 HydrophobicContact CB-CE1 3.89Å; N293-F398 HydrophobicContact CB-CG 3.92Å; L294-F398 HydrophobicContact CD2-CD2 3.58Å; L294-F398 HydrophobicContact CD2-CE2 4.01Å; L294-F398 HydrophobicContact CD2-CG 4.38Å; S389-F398 CarbonylContact C-O 3.49Å; S389-F398 WeakPolarHBondContact CA-O 3.49Å; V390-F398 PolarHBondContact N-O 3.3Å; V390-F398 PolarHBondContact O-N 3.05Å; L392-F398 HydrophobicContact CD1-CE2 3.78Å; L392-F398 HydrophobicContact CG-CE2 4.32Å; A396-F398 HydrophobicContact CB-CE2 4.31Å
399	T	98.6	Very high	98	Very high	67 Å²	67	43.7 Å²	43.7	41%	0.411	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.9	-177.8	-59.8	0	0	0	0	110	E387 I388 S389	E387-T399 HydrophobicContact CG-CG2 3.67Å; I388-T399 VanDerWaalsContact O-CA 3.26Å; I388-T399 WeakPolarHBondContact O-CA 3.46Å; S389-T399 WeakPolarHBondContact OG-CG2 3.48Å; S389-T399 PolarHBondContact OG-OG1 3.05Å
400	H	98.6	Very high	98	Very high	63 Å²	63	48.3 Å²	48.3	29%	0.292	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.7	171.4	-84.4	-92	0	0	0	110.6	V290 N293 E387 I388	V290-H400 VanDerWaalsContact CA-CD2 3.4Å; V290-H400 WeakPolarHBondContact CA-CD2 3.44Å; V290-H400 HydrophobicContact CB-CB 4.17Å; N293-H400 PolarHBondContact OD1-NE2 3.3Å; E387-H400 CarbonylContact C-O 2.93Å; E387-H400 WeakPolarHBondContact CA-O 3.46Å; E387-H400 WeakPolarHBondContact CG-O 3.16Å; I388-H400 HydrophobicContact CG2-CB 4.42Å; I388-H400 PolarHBondContact N-O 3.46Å; I388-H400 PolarHBondContact O-N 3.48Å
401	R	98.7	Very high	98	Very high	105 Å²	105	53.5 Å²	53.5	40%	0.396	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.9	-179.5	178	174.3	168.3	148.2	1.5	110.4	Y385 C386 E387 D403	Y385-R401 VanDerWaalsContact CD1-NH2 3.26Å; Y385-R401 HydrophobicContact CD2-CG 4.26Å; C386-R401 CarbonylContact O-C 3.52Å; C386-R401 WeakPolarHBondContact O-CA 2.97Å; E387-R401 HydrophobicContact CB-CB 4.04Å; E387-R401 HydrophobicContact CB-CG 4.16Å; E387-R401 HydrophobicContact CG-CB 4.09Å; R401-D403 IonicContact CZ-OD1 3.81Å; R401-D403 VanDerWaalsContact CZ-OD1 3.22Å; R401-D403 IonicContact NE-OD1 2.66Å; R401-D403 PolarHBondContact NE-OD1 2.78Å; R401-D403 IonicContact NE-OD2 2.91Å; R401-D403 PolarHBondContact NE-OD2 2.7Å; R401-D403 IonicContact NH2-OD1 3.39Å; R401-D403 PolarHBondContact NH2-OD1 3.39Å
402	S	98.8	Very high	98	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.7	169.9	-176.6	0	0	0	0	109.3	D285 Y385 C386 T404	D285-S402 WeakPolarHBondContact OD2-CB 3.36Å; D285-S402 PolarHBondContact OD2-OG 2.92Å; Y385-S402 WeakPolarHBondContact CA-O 3.5Å; Y385-S402 WeakPolarHBondContact CB-O 3.25Å; C386-S402 PolarHBondContact N-O 2.86Å; C386-S402 PolarHBondContact O-N 3.32Å; S402-T404 PolarHBondContact OG-O 2.89Å
403	D	98.8	Very high	98	Very high	78 Å²	78	55 Å²	55	42%	0.417	28%	0.284	S	S	.	.	S	Bend	trans	-91.4	-20.1	170.5	-61.7	-71.5	0	0	0	111.9	W282 Y385 R401 R410	W282-D403 PolarHBondContact NE1-O 3.19Å; Y385-D403 WeakPolarHBondContact CB-OD1 3.29Å; R401-D403 IonicContact CZ-OD1 3.81Å; R401-D403 VanDerWaalsContact CZ-OD1 3.22Å; R401-D403 IonicContact NE-OD1 2.66Å; R401-D403 PolarHBondContact NE-OD1 2.78Å; R401-D403 IonicContact NE-OD2 2.91Å; R401-D403 PolarHBondContact NE-OD2 2.7Å; R401-D403 IonicContact NH2-OD1 3.39Å; R401-D403 PolarHBondContact NH2-OD1 3.39Å; D403-R410 PolarHBondContact O-NH2 3.29Å; D403-R410 VanDerWaalsContact O-NH2 3.09Å
404	T	98.8	Very high	98.1	Very high	40 Å²	40	50.7 Å²	50.7	25%	0.245	27%	0.27	C	S	.	.			trans	-155.2	139.9	175.5	-140.9	0	0	0	0	110.3	S402 H408 R410 K411	S402-T404 PolarHBondContact OG-O 2.89Å; T404-H408 PolarHBondContact OG1-ND1 2.78Å; T404-R410 PolarHBondContact OG1-NE 3.36Å; T404-K411 HydrophobicContact CG2-CB 3.97Å; T404-K411 HydrophobicContact CG2-CD 4.37Å
405	F	98.8	Very high	98.3	Very high	5 Å²	5	48.6 Å²	48.6	2%	0.022	26%	0.257	C	S	.	.			trans	-106.5	159.8	176	64.5	-86	0	0	0	110.3	L278 H281 W282 D285 G407 H408	L278-F405 HydrophobicContact CD1-CE2 4.39Å; L278-F405 HydrophobicContact CD1-CZ 3.67Å; L278-F405 HydrophobicContact CG-CE1 4.4Å; L278-F405 HydrophobicContact CG-CZ 3.99Å; H281-F405 HydrophobicContact CB-CB 4.5Å; H281-F405 HydrophobicContact CB-CD1 3.73Å; H281-F405 HydrophobicContact CB-CD2 3.61Å; H281-F405 HydrophobicContact CB-CE1 3.77Å; H281-F405 HydrophobicContact CB-CE2 3.67Å; H281-F405 HydrophobicContact CB-CG 3.66Å; H281-F405 HydrophobicContact CB-CZ 3.75Å; H281-F405 AromaticContact CD2-CE2 3.75Å; H281-F405 AromaticContact CG-CE2 3.96Å; W282-F405 AromaticContact CD2-CD1 3.56Å; W282-F405 HydrophobicContact CD2-CD1 3.56Å; W282-F405 AromaticContact CD2-CE1 3.67Å; W282-F405 HydrophobicContact CD2-CE1 3.67Å; W282-F405 AromaticContact CE2-CD1 3.77Å; W282-F405 AromaticContact CE2-CE1 3.77Å; W282-F405 AromaticContact CE3-CD1 3.8Å; W282-F405 HydrophobicContact CE3-CD1 3.8Å; W282-F405 AromaticContact CE3-CE1 3.49Å; W282-F405 HydrophobicContact CE3-CE1 3.49Å; W282-F405 VanDerWaalsContact CE3-CE1 3.49Å; W282-F405 AromaticContact CG-CD1 4Å; W282-F405 HydrophobicContact CG-CD1 4Å; W282-F405 HydrophobicContact CH2-CD1 4.43Å; W282-F405 AromaticContact CH2-CE1 3.61Å; W282-F405 HydrophobicContact CH2-CE1 3.61Å; W282-F405 HydrophobicContact CZ2-CD1 4.2Å; W282-F405 AromaticContact CZ2-CE1 3.74Å; W282-F405 HydrophobicContact CZ2-CE1 3.74Å; W282-F405 HydrophobicContact CZ3-CD1 4.25Å; W282-F405 AromaticContact CZ3-CE1 3.49Å; W282-F405 HydrophobicContact CZ3-CE1 3.49Å; W282-F405 VanDerWaalsContact CZ3-CE1 3.49Å; W282-F405 HydrophobicContact CZ3-CZ 4.37Å; D285-F405 HydrophobicContact CB-CB 3.88Å; F405-G407 PolarHBondContact O-N 2.97Å; F405-H408 HydrophobicContact CD1-CB 4.08Å; F405-H408 HydrophobicContact CD2-CB 4.37Å; F405-H408 HydrophobicContact CE1-CB 3.75Å; F405-H408 AromaticContact CE1-CD2 3.86Å; F405-H408 HydrophobicContact CE2-CB 4.09Å; F405-H408 HydrophobicContact CG-CB 4.36Å; F405-H408 HydrophobicContact CZ-CB 3.75Å; F405-H408 VanDerWaalsContact O-CB 3.26Å; F405-H408 WeakPolarHBondContact O-CB 3.45Å; F405-H408 PolarHBondContact O-N 2.98Å
406	Y	98.8	Very high	98.5	Very high	46 Å²	46	51.9 Å²	51.9	18%	0.18	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	121.2	174	-175.7	-131	0	0	0	111.4	R273 K411 P412 L413 S414 D417	R273-Y406 WeakPolarHBondContact CD-O 3.26Å; Y406-K411 HydrophobicContact CD2-CD 4.35Å; Y406-K411 HydrophobicContact CD2-CG 4.15Å; Y406-P412 VanDerWaalsContact CE2-O 3.25Å; Y406-P412 WeakPolarHBondContact CE2-O 3.48Å; Y406-L413 HydrophobicContact CD1-CD2 3.59Å; Y406-L413 HydrophobicContact CD2-CD2 4.25Å; Y406-L413 HydrophobicContact CE1-CD2 3.41Å; Y406-L413 VanDerWaalsContact CE1-CD2 3.41Å; Y406-L413 HydrophobicContact CE2-CD2 4.09Å; Y406-L413 HydrophobicContact CG-CD2 4.02Å; Y406-S414 PolarHBondContact OH-N 3.26Å; Y406-S414 PolarHBondContact OH-OG 3.22Å; Y406-D417 HydrophobicContact CE1-CB 4.32Å; Y406-D417 WeakPolarHBondContact CE1-OD2 3.38Å; Y406-D417 PolarHBondContact OH-OD2 3.3Å
407	G	98.8	Very high	98.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	112	-17.2	-171.2	0	0	0	0	0	113.8	A270 F271 F405 K411	A270-G407 CarbonylContact C-O 3.6Å; A270-G407 VanDerWaalsContact CA-O 3.23Å; A270-G407 WeakPolarHBondContact CA-O 3.44Å; F271-G407 PolarHBondContact N-O 3.32Å; F271-G407 WeakPolarHBondContact O-CA 3.28Å; F405-G407 PolarHBondContact O-N 2.97Å; G407-K411 PolarHBondContact N-O 3.17Å
408	H	98.9	Very high	98.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-66.9	153	170.4	-173.4	-97.8	0	0	0	111.3	W282 F381 T404 F405 R410 K411 P412	W282-H408 AromaticContact CH2-CD2 3.69Å; W282-H408 AromaticContact CZ2-CD2 3.48Å; W282-H408 VanDerWaalsContact CZ2-CD2 3.48Å; W282-H408 WeakPolarHBondContact CZ2-CD2 3.35Å; W282-H408 AromaticContact CZ2-NE2 3.69Å; F381-H408 PolarHBondContact O-NE2 3.15Å; T404-H408 PolarHBondContact OG1-ND1 2.78Å; F405-H408 HydrophobicContact CD1-CB 4.08Å; F405-H408 HydrophobicContact CD2-CB 4.37Å; F405-H408 HydrophobicContact CE1-CB 3.75Å; F405-H408 AromaticContact CE1-CD2 3.86Å; F405-H408 HydrophobicContact CE2-CB 4.09Å; F405-H408 HydrophobicContact CG-CB 4.36Å; F405-H408 HydrophobicContact CZ-CB 3.75Å; F405-H408 VanDerWaalsContact O-CB 3.26Å; F405-H408 WeakPolarHBondContact O-CB 3.45Å; F405-H408 PolarHBondContact O-N 2.98Å; H408-R410 PolarHBondContact CE1-NE 3.38Å; H408-R410 PolarHBondContact CE1-NH1 3.2Å; H408-R410 VanDerWaalsContact CE1-NH1 3.28Å; H408-R410 PolarHBondContact CE1-NH2 3.48Å; H408-R410 WeakPolarHBondContact ND1-CB 3.25Å; H408-R410 PolarHBondContact ND1-N 3.4Å; H408-R410 VanDerWaalsContact ND1-N 3.14Å; H408-R410 PolarHBondContact O-N 3.3Å; H408-K411 CarbonylContact O-C 3.05Å; H408-K411 WeakPolarHBondContact O-CA 3.48Å; H408-K411 PolarHBondContact O-N 2.93Å; H408-P412 VanDerWaalsContact O-CA 3.3Å; H408-P412 WeakPolarHBondContact O-CA 3.48Å
409	W	98.8	Very high	98.7	Very high	26 Å²	26	47.6 Å²	47.6	10%	0.098	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.6	179.5	49.3	82.5	0	0	0	115	H99 Q267 D268 A270 F381 N382	H99-W409 HydrophobicContact CB-CH2 3.68Å; H99-W409 HydrophobicContact CB-CZ2 3.74Å; H99-W409 HydrophobicContact CB-CZ3 4.26Å; Q267-W409 VanDerWaalsContact NE2-CD2 3.34Å; Q267-W409 VanDerWaalsContact NE2-CG 3.32Å; D268-W409 HydrophobicContact CB-CB 3.75Å; A270-W409 HydrophobicContact CB-CE3 3.69Å; A270-W409 HydrophobicContact CB-CZ3 3.95Å; F381-W409 HydrophobicContact CB-CH2 3.46Å; F381-W409 VanDerWaalsContact CB-CH2 3.46Å; F381-W409 HydrophobicContact CB-CZ2 3.94Å; F381-W409 HydrophobicContact CG-CH2 4.42Å; N382-W409 HydrophobicContact CB-CZ2 4.21Å; N382-W409 PolarHBondContact OD1-NE1 2.98Å; N382-W409 VanDerWaalsContact OD1-NE1 3.17Å
410	R	98.8	Very high	98.7	Very high	105 Å²	105	50 Å²	50	40%	0.396	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-21	172.4	-68.6	-174.8	-72.2	-95.8	9	114.1	N382 D403 T404 H408	N382-R410 PolarHBondContact O-NH1 3.42Å; N382-R410 PolarHBondContact OD1-NH1 3.04Å; D403-R410 PolarHBondContact O-NH2 3.29Å; D403-R410 VanDerWaalsContact O-NH2 3.09Å; T404-R410 PolarHBondContact OG1-NE 3.36Å; H408-R410 PolarHBondContact CE1-NE 3.38Å; H408-R410 PolarHBondContact CE1-NH1 3.2Å; H408-R410 VanDerWaalsContact CE1-NH1 3.28Å; H408-R410 PolarHBondContact CE1-NH2 3.48Å; H408-R410 WeakPolarHBondContact ND1-CB 3.25Å; H408-R410 PolarHBondContact ND1-N 3.4Å; H408-R410 VanDerWaalsContact ND1-N 3.14Å; H408-R410 PolarHBondContact O-N 3.3Å
411	K	98.8	Very high	98.7	Very high	108 Å²	108	48 Å²	48	47%	0.47	23%	0.227	S	C	.	.	S	Bend	trans	-143.4	63.8	179.2	-165.5	-172	-180	178	0	108	T404 Y406 G407 H408	T404-K411 HydrophobicContact CG2-CB 3.97Å; T404-K411 HydrophobicContact CG2-CD 4.37Å; Y406-K411 HydrophobicContact CD2-CD 4.35Å; Y406-K411 HydrophobicContact CD2-CG 4.15Å; G407-K411 PolarHBondContact N-O 3.17Å; H408-K411 CarbonylContact O-C 3.05Å; H408-K411 WeakPolarHBondContact O-CA 3.48Å; H408-K411 PolarHBondContact O-N 2.93Å
412	P	98.7	Very high	98.7	Very high	55 Å²	55	43.1 Å²	43.1	36%	0.357	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-63.3	155.2	-170.1	27.3	-35.3	0	0	0	110.6	Y406 H408	Y406-P412 VanDerWaalsContact CE2-O 3.25Å; Y406-P412 WeakPolarHBondContact CE2-O 3.48Å; H408-P412 VanDerWaalsContact O-CA 3.3Å; H408-P412 WeakPolarHBondContact O-CA 3.48Å
413	L	98.8	Very high	98.7	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-56.6	145.4	169.6	-62.1	-175.6	0	0	0	109.6	R32 F271 R273 Y406 L418	R32-L413 PolarHBondContact NH2-O 3.5Å; F271-L413 HydrophobicContact CB-CD1 3.78Å; F271-L413 HydrophobicContact CB-CG 4.19Å; R273-L413 HydrophobicContact CG-CD2 4.02Å; Y406-L413 HydrophobicContact CD1-CD2 3.59Å; Y406-L413 HydrophobicContact CD2-CD2 4.25Å; Y406-L413 HydrophobicContact CE1-CD2 3.41Å; Y406-L413 VanDerWaalsContact CE1-CD2 3.41Å; Y406-L413 HydrophobicContact CE2-CD2 4.09Å; Y406-L413 HydrophobicContact CG-CD2 4.02Å; L413-L418 HydrophobicContact CD1-CD1 4.2Å
414	S	98.8	Very high	98.6	Very high	37 Å²	37	45.9 Å²	45.9	26%	0.259	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-60.9	172.6	164.6	68.1	0	0	0	0	110.3	R32 Y406 E416 D417 L418	R32-S414 PolarHBondContact NH1-O 3.2Å; Y406-S414 PolarHBondContact OH-N 3.26Å; Y406-S414 PolarHBondContact OH-OG 3.22Å; S414-E416 VanDerWaalsContact C-N 3.34Å; S414-E416 VanDerWaalsContact CB-OE2 3.26Å; S414-E416 WeakPolarHBondContact CB-OE2 3.49Å; S414-E416 PolarHBondContact OG-OE2 2.83Å; S414-D417 WeakPolarHBondContact OG-CB 3.49Å; S414-D417 PolarHBondContact OG-N 3.08Å; S414-D417 PolarHBondContact OG-OD2 2.95Å; S414-L418 WeakPolarHBondContact O-CB 3.27Å; S414-L418 PolarHBondContact O-N 3.18Å
415	Q	98.6	Very high	98.5	Very high	53 Å²	53	44.5 Å²	44.5	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-70.1	-41.1	174.5	-177.4	57.3	26	0	0	110	D417 L418 E419	Q415-D417 PolarHBondContact O-N 3.49Å; Q415-L418 PolarHBondContact O-N 3.01Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.34Å; Q415-E419 PolarHBondContact NE2-OE1 2.85Å; Q415-E419 WeakPolarHBondContact O-CG 3.35Å; Q415-E419 PolarHBondContact O-N 3.21Å
416	E	98.6	Very high	98.3	Very high	119 Å²	119	44.2 Å²	44.2	56%	0.556	22%	0.217	S	C	*	.	H	α-helix	trans	-60.4	-47.8	179.8	-59.2	77.1	-169.9	0	0	111.5	S414 L418 E419 E420	S414-E416 VanDerWaalsContact C-N 3.34Å; S414-E416 VanDerWaalsContact CB-OE2 3.26Å; S414-E416 WeakPolarHBondContact CB-OE2 3.49Å; S414-E416 PolarHBondContact OG-OE2 2.83Å; E416-L418 VanDerWaalsContact C-N 3.3Å; E416-L418 PolarHBondContact O-N 3.46Å; E416-E419 PolarHBondContact O-N 3.43Å; E416-E420 WeakPolarHBondContact O-CG 3.15Å; E416-E420 PolarHBondContact O-N 3.21Å
417	D	98.7	Very high	97.8	Very high	57 Å²	57	45.2 Å²	45.2	31%	0.305	23%	0.23	S	C	.	.	H	α-helix	trans	-70.4	-28.6	-179	-72.6	-20.7	0	0	0	112.3	Y406 S414 Q415 K421	Y406-D417 HydrophobicContact CE1-CB 4.32Å; Y406-D417 WeakPolarHBondContact CE1-OD2 3.38Å; Y406-D417 PolarHBondContact OH-OD2 3.3Å; S414-D417 WeakPolarHBondContact OG-CB 3.49Å; S414-D417 PolarHBondContact OG-N 3.08Å; S414-D417 PolarHBondContact OG-OD2 2.95Å; Q415-D417 PolarHBondContact O-N 3.49Å; D417-K421 WeakPolarHBondContact O-CB 3.38Å; D417-K421 PolarHBondContact O-N 3.04Å
418	L	98.8	Very high	97.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-70.5	-40.7	173.8	-176.1	65.6	0	0	0	111	R32 D36 F271 L413 S414 Q415 E416 K421 F422	R32-L418 HydrophobicContact CB-CD2 3.6Å; R32-L418 HydrophobicContact CG-CD2 3.84Å; D36-L418 HydrophobicContact CB-CD1 4.04Å; D36-L418 WeakPolarHBondContact OD1-CD1 3.47Å; F271-L418 HydrophobicContact CB-CD1 4.42Å; F271-L418 HydrophobicContact CD1-CD1 4.28Å; F271-L418 HydrophobicContact CD2-CD1 4.12Å; F271-L418 HydrophobicContact CE2-CD1 4.48Å; F271-L418 HydrophobicContact CE2-CD2 4.2Å; F271-L418 HydrophobicContact CG-CD1 4.01Å; F271-L418 HydrophobicContact CZ-CD2 4.44Å; L413-L418 HydrophobicContact CD1-CD1 4.2Å; S414-L418 WeakPolarHBondContact O-CB 3.27Å; S414-L418 PolarHBondContact O-N 3.18Å; Q415-L418 PolarHBondContact O-N 3.01Å; E416-L418 VanDerWaalsContact C-N 3.3Å; E416-L418 PolarHBondContact O-N 3.46Å; L418-K421 WeakPolarHBondContact O-CB 3.3Å; L418-K421 PolarHBondContact O-N 3.3Å; L418-F422 PolarHBondContact O-N 3.07Å
419	E	98.7	Very high	96.6	Very high	24 Å²	24	54.5 Å²	54.5	11%	0.112	28%	0.279	C	S	.	.	H	α-helix	trans	-68.9	-38.9	174.4	-70.3	174.2	-161.9	0	0	112.1	L35 Q415 E416 K421 F422 R423 I439	L35-E419 HydrophobicContact CD2-CG 3.87Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.34Å; Q415-E419 PolarHBondContact NE2-OE1 2.85Å; Q415-E419 WeakPolarHBondContact O-CG 3.35Å; Q415-E419 PolarHBondContact O-N 3.21Å; E416-E419 PolarHBondContact O-N 3.43Å; E419-K421 VanDerWaalsContact C-N 3.34Å; E419-K421 PolarHBondContact O-N 3.47Å; E419-F422 CarbonylContact O-C 3.03Å; E419-F422 WeakPolarHBondContact O-CB 3.37Å; E419-F422 PolarHBondContact O-N 2.95Å; E419-F422 VanDerWaalsContact O-N 3.15Å; E419-R423 VanDerWaalsContact CB-NH1 3.3Å; E419-R423 VanDerWaalsContact O-CG 3.3Å; E419-R423 WeakPolarHBondContact O-CG 3.48Å; E419-R423 PolarHBondContact O-N 2.93Å; E419-R423 IonicContact OE2-CZ 3.7Å; E419-R423 IonicContact OE2-NH1 3.32Å; E419-R423 IonicContact OE2-NH2 2.78Å; E419-R423 PolarHBondContact OE2-NH2 2.92Å; E419-I439 HydrophobicContact CB-CD1 4.31Å; E419-I439 HydrophobicContact CG-CD1 4.49Å; E419-I439 HydrophobicContact CG-CG2 3.89Å
420	E	98.4	Very high	96.3	Very high	118 Å²	118	53.7 Å²	53.7	55%	0.551	28%	0.277	S	S	*	.	H	α-helix	trans	-61.3	-42.1	171.7	-77.6	-176	-178.7	0	0	111.7	E416 F422 R423 A424	E416-E420 WeakPolarHBondContact O-CG 3.15Å; E416-E420 PolarHBondContact O-N 3.21Å; E420-F422 VanDerWaalsContact C-N 3.33Å; E420-F422 PolarHBondContact O-N 3.33Å; E420-R423 PolarHBondContact O-N 3.1Å; E420-A424 WeakPolarHBondContact O-CB 3.4Å; E420-A424 PolarHBondContact O-N 2.89Å
421	K	98.5	Very high	96.1	Very high	21 Å²	21	51.4 Å²	51.4	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-47.4	170.3	177	-172	170.8	-175.6	0	110.8	D36 F94 K272 D417 L418 E419 A424 N425	D36-K421 WeakPolarHBondContact OD1-CD 3.48Å; D36-K421 WeakPolarHBondContact OD1-CE 3.16Å; D36-K421 IonicContact OD1-NZ 3.69Å; D36-K421 PolarHBondContact OD1-NZ 3.43Å; D36-K421 IonicContact OD2-NZ 3.64Å; D36-K421 PolarHBondContact OD2-NZ 3.16Å; F94-K421 PolarHBondContact O-NZ 3.11Å; K272-K421 WeakPolarHBondContact O-CD 3.37Å; K272-K421 VanDerWaalsContact O-CE 3.29Å; K272-K421 WeakPolarHBondContact O-CE 3.26Å; K272-K421 PolarHBondContact O-NZ 3.02Å; D417-K421 WeakPolarHBondContact O-CB 3.38Å; D417-K421 PolarHBondContact O-N 3.04Å; L418-K421 WeakPolarHBondContact O-CB 3.3Å; L418-K421 PolarHBondContact O-N 3.3Å; E419-K421 VanDerWaalsContact C-N 3.34Å; E419-K421 PolarHBondContact O-N 3.47Å; K421-A424 PolarHBondContact O-N 2.78Å; K421-N425 WeakPolarHBondContact O-CB 3.2Å; K421-N425 PolarHBondContact O-N 2.85Å
422	F	98.6	Very high	95.8	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-52.6	177.8	176.4	-100.2	0	0	0	111.1	L35 L38 L418 E419 E420 A424 N425 V426 V435 L438 I439	L35-F422 HydrophobicContact CD1-CB 4.42Å; L35-F422 HydrophobicContact CD1-CD1 3.93Å; L35-F422 HydrophobicContact CD1-CD2 3.71Å; L35-F422 HydrophobicContact CD1-CE1 4.05Å; L35-F422 HydrophobicContact CD1-CE2 3.87Å; L35-F422 HydrophobicContact CD1-CG 3.75Å; L35-F422 HydrophobicContact CD1-CZ 4.03Å; L35-F422 HydrophobicContact CD2-CB 4.37Å; L35-F422 HydrophobicContact CG-CB 4.1Å; L35-F422 HydrophobicContact CG-CD2 3.97Å; L35-F422 HydrophobicContact CG-CG 3.94Å; L35-F422 VanDerWaalsContact O-CD2 3.28Å; L35-F422 WeakPolarHBondContact O-CD2 3.48Å; L38-F422 HydrophobicContact CB-CE2 3.96Å; L418-F422 PolarHBondContact O-N 3.07Å; E419-F422 CarbonylContact O-C 3.03Å; E419-F422 WeakPolarHBondContact O-CB 3.37Å; E419-F422 PolarHBondContact O-N 2.95Å; E419-F422 VanDerWaalsContact O-N 3.15Å; E420-F422 VanDerWaalsContact C-N 3.33Å; E420-F422 PolarHBondContact O-N 3.33Å; F422-A424 VanDerWaalsContact C-N 3.34Å; F422-A424 PolarHBondContact O-N 3.28Å; F422-N425 WeakPolarHBondContact O-CB 3.36Å; F422-N425 PolarHBondContact O-N 3.21Å; F422-N425 VanDerWaalsContact O-N 3.11Å; F422-V426 HydrophobicContact CD1-CG2 4.3Å; F422-V426 HydrophobicContact CD2-CG1 4.11Å; F422-V426 HydrophobicContact CE1-CG1 4.47Å; F422-V426 HydrophobicContact CE1-CG2 4.02Å; F422-V426 HydrophobicContact CE2-CG1 3.76Å; F422-V426 HydrophobicContact CZ-CG1 3.96Å; F422-V426 HydrophobicContact CZ-CG2 4.25Å; F422-V426 WeakPolarHBondContact O-CG1 3.43Å; F422-V426 WeakPolarHBondContact O-CG2 3.48Å; F422-V426 PolarHBondContact O-N 2.75Å; F422-V435 HydrophobicContact CD1-CG1 4.06Å; F422-V435 HydrophobicContact CE1-CG1 3.8Å; F422-L438 HydrophobicContact CE1-CB 4.23Å; F422-L438 HydrophobicContact CZ-CB 3.98Å; F422-L438 HydrophobicContact CZ-CD1 4.07Å; F422-I439 HydrophobicContact CD1-CD1 3.89Å; F422-I439 HydrophobicContact CD1-CG1 3.58Å; F422-I439 HydrophobicContact CE1-CD1 4.33Å; F422-I439 HydrophobicContact CE1-CG1 3.77Å
423	R	98.3	Very high	95.6	Very high	74 Å²	74	53.9 Å²	53.9	28%	0.279	30%	0.297	S	S	.	.	H	α-helix	trans	-53.2	-49.4	177.1	-70.9	176.6	-174.1	102.3	8.2	111.4	E419 E420 N425 V426 S427 V435 E436 I439	E419-R423 VanDerWaalsContact CB-NH1 3.3Å; E419-R423 VanDerWaalsContact O-CG 3.3Å; E419-R423 WeakPolarHBondContact O-CG 3.48Å; E419-R423 PolarHBondContact O-N 2.93Å; E419-R423 IonicContact OE2-CZ 3.7Å; E419-R423 IonicContact OE2-NH1 3.32Å; E419-R423 IonicContact OE2-NH2 2.78Å; E419-R423 PolarHBondContact OE2-NH2 2.92Å; E420-R423 PolarHBondContact O-N 3.1Å; R423-N425 VanDerWaalsContact C-N 3.33Å; R423-N425 PolarHBondContact O-N 2.7Å; R423-V426 PolarHBondContact O-N 2.88Å; R423-S427 VanDerWaalsContact O-CB 3.25Å; R423-S427 WeakPolarHBondContact O-CB 3.33Å; R423-S427 PolarHBondContact O-N 2.95Å; R423-V435 HydrophobicContact CB-CG1 4.45Å; R423-V435 HydrophobicContact CG-CG1 3.86Å; R423-E436 IonicContact CZ-OE1 3.86Å; R423-E436 IonicContact CZ-OE2 3.5Å; R423-E436 IonicContact NE-OE1 3.94Å; R423-E436 PolarHBondContact NE-OE1 3.28Å; R423-E436 IonicContact NE-OE2 3.87Å; R423-E436 IonicContact NH2-OE1 3.37Å; R423-E436 IonicContact NH2-OE2 4Å; R423-E436 PolarHBondContact NH2-OE2 2.81Å; R423-I439 HydrophobicContact CG-CD1 3.96Å
424	A	96.9	Very high	95.5	Very high	65 Å²	65	54.7 Å²	54.7	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-59.1	-44.1	178.8	0	0	0	0	0	111.9	E420 K421 F422 V426 S427	E420-A424 WeakPolarHBondContact O-CB 3.4Å; E420-A424 PolarHBondContact O-N 2.89Å; K421-A424 PolarHBondContact O-N 2.78Å; F422-A424 VanDerWaalsContact C-N 3.34Å; F422-A424 PolarHBondContact O-N 3.28Å; A424-V426 PolarHBondContact O-N 3.01Å; A424-S427 PolarHBondContact O-OG 2.76Å; A424-S427 VanDerWaalsContact O-OG 3.06Å
425	N	97.2	Very high	95.4	Very high	11 Å²	11	53.2 Å²	53.2	6%	0.059	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-33.2	-179.2	-74.9	-8.1	0	0	0	113.5	G39 L43 K421 F422 R423	G39-N425 WeakPolarHBondContact O-CB 3.27Å; L43-N425 HydrophobicContact CB-CB 4.11Å; L43-N425 HydrophobicContact CD2-CB 4.42Å; K421-N425 WeakPolarHBondContact O-CB 3.2Å; K421-N425 PolarHBondContact O-N 2.85Å; F422-N425 WeakPolarHBondContact O-CB 3.36Å; F422-N425 PolarHBondContact O-N 3.21Å; F422-N425 VanDerWaalsContact O-N 3.11Å; R423-N425 VanDerWaalsContact C-N 3.33Å; R423-N425 PolarHBondContact O-N 2.7Å
426	V	94.8	Very high	95.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-103.9	-11.9	-173.1	-51.6	0	0	0	0	114.6	F42 F422 R423 A424 N428 M429 L430 V435	F42-V426 HydrophobicContact CB-CB 4.39Å; F42-V426 HydrophobicContact CB-CG1 3.71Å; F42-V426 HydrophobicContact CD2-CG1 3.73Å; F42-V426 HydrophobicContact CG-CG1 4Å; F422-V426 HydrophobicContact CD1-CG2 4.3Å; F422-V426 HydrophobicContact CD2-CG1 4.11Å; F422-V426 HydrophobicContact CE1-CG1 4.47Å; F422-V426 HydrophobicContact CE1-CG2 4.02Å; F422-V426 HydrophobicContact CE2-CG1 3.76Å; F422-V426 HydrophobicContact CZ-CG1 3.96Å; F422-V426 HydrophobicContact CZ-CG2 4.25Å; F422-V426 WeakPolarHBondContact O-CG1 3.43Å; F422-V426 WeakPolarHBondContact O-CG2 3.48Å; F422-V426 PolarHBondContact O-N 2.75Å; R423-V426 PolarHBondContact O-N 2.88Å; A424-V426 PolarHBondContact O-N 3.01Å; V426-N428 PolarHBondContact O-N 2.99Å; V426-N428 VanDerWaalsContact O-N 3.08Å; V426-M429 PolarHBondContact O-N 3.16Å; V426-L430 HydrophobicContact CB-CD1 4.18Å; V426-L430 PolarHBondContact O-N 3.14Å; V426-V435 HydrophobicContact CG2-CB 4.13Å; V426-V435 HydrophobicContact CG2-CG1 3.64Å; V426-V435 HydrophobicContact CG2-CG2 3.41Å; V426-V435 VanDerWaalsContact CG2-CG2 3.41Å
427	S	88.1	Confident	95.3	Very high	67 Å²	67	51 Å²	51	47%	0.469	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-33.9	-171.9	55.6	0	0	0	0	115.3	R423 A424	R423-S427 VanDerWaalsContact O-CB 3.25Å; R423-S427 WeakPolarHBondContact O-CB 3.33Å; R423-S427 PolarHBondContact O-N 2.95Å; A424-S427 PolarHBondContact O-OG 2.76Å; A424-S427 VanDerWaalsContact O-OG 3.06Å
428	N	85.4	Confident	95.3	Very high	156 Å²	156	48.3 Å²	48.3	83%	0.834	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-6.5	179.4	-65.7	-40.6	0	0	0	113.8	V426	V426-N428 PolarHBondContact O-N 2.99Å; V426-N428 VanDerWaalsContact O-N 3.08Å
429	M	86.7	Confident	95.3	Very high	39 Å²	39	48.6 Å²	48.6	19%	0.192	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-29.7	-172.2	-64.6	-62.6	-58.1	0	0	112.9	T45 V426	T45-M429 WeakPolarHBondContact OG1-CE 3.47Å; V426-M429 PolarHBondContact O-N 3.16Å
430	L	92.1	Very high	95.3	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.042	30%	0.3	C	S	.	.	S	Bend	trans	-127.5	143.3	-174.7	-61.1	-179.7	0	0	0	111.3	F42 V426 T434 V435 L438 G460	F42-L430 HydrophobicContact CD1-CD1 4.25Å; F42-L430 HydrophobicContact CD1-CD2 4.46Å; F42-L430 HydrophobicContact CD1-CG 4.37Å; F42-L430 HydrophobicContact CD2-CD1 4.16Å; F42-L430 HydrophobicContact CE1-CD1 3.92Å; F42-L430 HydrophobicContact CE1-CD2 3.94Å; F42-L430 HydrophobicContact CE1-CG 4.2Å; F42-L430 HydrophobicContact CE2-CD1 3.84Å; F42-L430 HydrophobicContact CG-CD1 4.37Å; F42-L430 HydrophobicContact CZ-CD1 3.71Å; F42-L430 HydrophobicContact CZ-CD2 4.36Å; F42-L430 HydrophobicContact CZ-CG 4.47Å; V426-L430 HydrophobicContact CB-CD1 4.18Å; V426-L430 PolarHBondContact O-N 3.14Å; L430-T434 HydrophobicContact CB-CG2 4.42Å; L430-T434 HydrophobicContact CD1-CG2 4.22Å; L430-T434 HydrophobicContact CD2-CG2 4.29Å; L430-V435 HydrophobicContact CB-CG2 3.79Å; L430-L438 HydrophobicContact CD1-CD1 3.62Å; L430-G460 VanDerWaalsContact CD2-CA 3.48Å
431	P	93.8	Very high	95.3	Very high	57 Å²	57	50.3 Å²	50.3	37%	0.37	28%	0.281	S	S	.	.			trans	-60.3	146.3	169	-20.4	31.8	0	0	0	111.3	D433 T434 V435 P461	P431-D433 PolarHBondContact O-N 3.43Å; P431-D433 VanDerWaalsContact O-N 3.13Å; P431-T434 WeakPolarHBondContact O-CA 3.21Å; P431-T434 WeakPolarHBondContact O-CB 3.37Å; P431-T434 PolarHBondContact O-N 3.43Å; P431-V435 WeakPolarHBondContact O-CG2 3.46Å; P431-V435 PolarHBondContact O-N 3.38Å; P431-V435 VanDerWaalsContact O-N 3.07Å; P431-P461 HydrophobicContact CG-CB 3.91Å; P431-P461 HydrophobicContact CG-CG 4.16Å
432	S	93.8	Very high	95.3	Very high	84 Å²	84	49.4 Å²	49.4	59%	0.587	28%	0.277	S	S	*	.	H	α-helix	trans	-51	-40.4	-178.6	-164.7	0	0	0	0	113.1	T434 V435 E436	S432-T434 VanDerWaalsContact C-N 3.33Å; S432-T434 PolarHBondContact O-N 2.95Å; S432-V435 WeakPolarHBondContact O-CB 3.42Å; S432-V435 PolarHBondContact O-N 3.24Å; S432-E436 PolarHBondContact O-N 2.98Å
433	D	94.6	Very high	95.3	Very high	131 Å²	131	53.7 Å²	53.7	70%	0.701	30%	0.297	S	S	*	.	H	α-helix	trans	-64.5	-37.1	179.1	-63.7	-16.3	0	0	0	112.4	P431 S437	P431-D433 PolarHBondContact O-N 3.43Å; P431-D433 VanDerWaalsContact O-N 3.13Å; D433-S437 VanDerWaalsContact O-CB 3.23Å; D433-S437 WeakPolarHBondContact O-CB 3.48Å; D433-S437 PolarHBondContact O-N 3.18Å; D433-S437 PolarHBondContact O-OG 3.1Å
434	T	95.4	Very high	95.3	Very high	26 Å²	26	53.4 Å²	53.4	16%	0.16	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-39.5	174.5	-56.8	0	0	0	0	110.8	L430 P431 S432 S437 L438 L457	L430-T434 HydrophobicContact CB-CG2 4.42Å; L430-T434 HydrophobicContact CD1-CG2 4.22Å; L430-T434 HydrophobicContact CD2-CG2 4.29Å; P431-T434 WeakPolarHBondContact O-CA 3.21Å; P431-T434 WeakPolarHBondContact O-CB 3.37Å; P431-T434 PolarHBondContact O-N 3.43Å; S432-T434 VanDerWaalsContact C-N 3.33Å; S432-T434 PolarHBondContact O-N 2.95Å; T434-S437 PolarHBondContact O-N 3.12Å; T434-L438 HydrophobicContact CG2-CD1 4.24Å; T434-L438 WeakPolarHBondContact O-CB 3.09Å; T434-L438 WeakPolarHBondContact O-CG 3.19Å; T434-L438 PolarHBondContact O-N 3.12Å; T434-L457 HydrophobicContact CG2-CB 4.32Å; T434-L457 HydrophobicContact CG2-CD2 4.16Å
435	V	97	Very high	95.4	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-53.3	177.4	178.7	0	0	0	0	110.6	F422 R423 V426 L430 P431 S432 S437 L438 I439	F422-V435 HydrophobicContact CD1-CG1 4.06Å; F422-V435 HydrophobicContact CE1-CG1 3.8Å; R423-V435 HydrophobicContact CB-CG1 4.45Å; R423-V435 HydrophobicContact CG-CG1 3.86Å; V426-V435 HydrophobicContact CG2-CB 4.13Å; V426-V435 HydrophobicContact CG2-CG1 3.64Å; V426-V435 HydrophobicContact CG2-CG2 3.41Å; V426-V435 VanDerWaalsContact CG2-CG2 3.41Å; L430-V435 HydrophobicContact CB-CG2 3.79Å; P431-V435 WeakPolarHBondContact O-CG2 3.46Å; P431-V435 PolarHBondContact O-N 3.38Å; P431-V435 VanDerWaalsContact O-N 3.07Å; S432-V435 WeakPolarHBondContact O-CB 3.42Å; S432-V435 PolarHBondContact O-N 3.24Å; V435-S437 VanDerWaalsContact C-N 3.31Å; V435-S437 PolarHBondContact O-N 3.3Å; V435-L438 PolarHBondContact O-N 2.66Å; V435-I439 HydrophobicContact CG1-CD1 4.28Å; V435-I439 WeakPolarHBondContact O-CG1 3.5Å; V435-I439 PolarHBondContact O-N 3.08Å
436	E	97.6	Very high	95.4	Very high	76 Å²	76	52.3 Å²	52.3	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-33.5	179.7	-61.9	-51.6	130	0	0	112.1	R423 S432 I439 K440	R423-E436 IonicContact CZ-OE1 3.86Å; R423-E436 IonicContact CZ-OE2 3.5Å; R423-E436 IonicContact NE-OE1 3.94Å; R423-E436 PolarHBondContact NE-OE1 3.28Å; R423-E436 IonicContact NE-OE2 3.87Å; R423-E436 IonicContact NH2-OE1 3.37Å; R423-E436 IonicContact NH2-OE2 4Å; R423-E436 PolarHBondContact NH2-OE2 2.81Å; S432-E436 PolarHBondContact O-N 2.98Å; E436-I439 PolarHBondContact O-N 3.14Å; E436-K440 WeakPolarHBondContact O-CB 3.43Å; E436-K440 PolarHBondContact O-N 2.95Å
437	S	97.8	Very high	95.6	Very high	50 Å²	50	58 Å²	58	35%	0.35	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-42.3	173.4	-63.3	0	0	0	0	112	D433 T434 V435 K440 I441	D433-S437 VanDerWaalsContact O-CB 3.23Å; D433-S437 WeakPolarHBondContact O-CB 3.48Å; D433-S437 PolarHBondContact O-N 3.18Å; D433-S437 PolarHBondContact O-OG 3.1Å; T434-S437 PolarHBondContact O-N 3.12Å; V435-S437 VanDerWaalsContact C-N 3.31Å; V435-S437 PolarHBondContact O-N 3.3Å; S437-K440 PolarHBondContact O-N 2.95Å; S437-I441 WeakPolarHBondContact O-CB 3.5Å; S437-I441 WeakPolarHBondContact O-CD1 3.48Å; S437-I441 VanDerWaalsContact O-CG1 3.27Å; S437-I441 WeakPolarHBondContact O-CG1 3.3Å; S437-I441 PolarHBondContact O-N 3.5Å
438	L	98.3	Very high	96.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-43.5	175.9	-77.4	171	0	0	0	111.6	F42 F422 L430 T434 V435 I441 V442 L454 L457 L458	F42-L438 HydrophobicContact CE2-CD1 4.11Å; F42-L438 HydrophobicContact CZ-CD1 4.38Å; F422-L438 HydrophobicContact CE1-CB 4.23Å; F422-L438 HydrophobicContact CZ-CB 3.98Å; F422-L438 HydrophobicContact CZ-CD1 4.07Å; L430-L438 HydrophobicContact CD1-CD1 3.62Å; T434-L438 HydrophobicContact CG2-CD1 4.24Å; T434-L438 WeakPolarHBondContact O-CB 3.09Å; T434-L438 WeakPolarHBondContact O-CG 3.19Å; T434-L438 PolarHBondContact O-N 3.12Å; V435-L438 PolarHBondContact O-N 2.66Å; L438-I441 PolarHBondContact O-N 3.35Å; L438-V442 WeakPolarHBondContact O-CB 3.27Å; L438-V442 VanDerWaalsContact O-CG2 3.27Å; L438-V442 WeakPolarHBondContact O-CG2 3.48Å; L438-V442 PolarHBondContact O-N 3.18Å; L438-L454 HydrophobicContact CD2-CD1 3.72Å; L438-L457 HydrophobicContact CD2-CB 3.65Å; L438-L457 HydrophobicContact CD2-CD1 4.07Å; L438-L457 HydrophobicContact CG-CB 4.07Å; L438-L457 HydrophobicContact CG-CD1 4.3Å; L438-L458 HydrophobicContact CD1-CD2 4.45Å; L438-L458 HydrophobicContact CD2-CD2 3.83Å
439	I	98.6	Very high	96.7	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-53.7	175.4	-67.7	169.2	0	0	0	109.7	L35 E419 F422 R423 V435 E436 I441 V442 E443	L35-I439 HydrophobicContact CD1-CG1 4.19Å; E419-I439 HydrophobicContact CB-CD1 4.31Å; E419-I439 HydrophobicContact CG-CD1 4.49Å; E419-I439 HydrophobicContact CG-CG2 3.89Å; F422-I439 HydrophobicContact CD1-CD1 3.89Å; F422-I439 HydrophobicContact CD1-CG1 3.58Å; F422-I439 HydrophobicContact CE1-CD1 4.33Å; F422-I439 HydrophobicContact CE1-CG1 3.77Å; R423-I439 HydrophobicContact CG-CD1 3.96Å; V435-I439 HydrophobicContact CG1-CD1 4.28Å; V435-I439 WeakPolarHBondContact O-CG1 3.5Å; V435-I439 PolarHBondContact O-N 3.08Å; E436-I439 PolarHBondContact O-N 3.14Å; I439-I441 PolarHBondContact O-N 3.38Å; I439-V442 PolarHBondContact O-N 2.86Å; I439-E443 VanDerWaalsContact O-CB 3.28Å; I439-E443 WeakPolarHBondContact O-CB 3.48Å; I439-E443 PolarHBondContact O-N 3.45Å
440	K	98.6	Very high	97.3	Very high	147 Å²	147	56.4 Å²	56.4	64%	0.639	30%	0.296	S	S	*	.	H	α-helix	trans	-61.2	-41.8	-178	-174.5	177	-179	178.8	0	113.1	E436 S437 N444	E436-K440 WeakPolarHBondContact O-CB 3.43Å; E436-K440 PolarHBondContact O-N 2.95Å; S437-K440 PolarHBondContact O-N 2.95Å; K440-N444 PolarHBondContact O-N 2.99Å; K440-N444 PolarHBondContact O-ND2 3.28Å
441	I	98.7	Very high	97.6	Very high	30 Å²	30	56.2 Å²	56.2	15%	0.154	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-44.9	178.2	-74.2	162.8	0	0	0	110.7	S437 L438 I439 E443 N444 L445 L448 V453 L454 L457	S437-I441 WeakPolarHBondContact O-CB 3.5Å; S437-I441 WeakPolarHBondContact O-CD1 3.48Å; S437-I441 VanDerWaalsContact O-CG1 3.27Å; S437-I441 WeakPolarHBondContact O-CG1 3.3Å; S437-I441 PolarHBondContact O-N 3.5Å; L438-I441 PolarHBondContact O-N 3.35Å; I439-I441 PolarHBondContact O-N 3.38Å; I441-E443 VanDerWaalsContact C-N 3.34Å; I441-N444 CarbonylContact O-C 3.36Å; I441-N444 PolarHBondContact O-N 2.9Å; I441-L445 HydrophobicContact CG2-CD1 4.45Å; I441-L445 VanDerWaalsContact O-CA 3.27Å; I441-L445 WeakPolarHBondContact O-CA 3.3Å; I441-L445 PolarHBondContact O-N 3.25Å; I441-L448 HydrophobicContact CG2-CD2 4.03Å; I441-V453 HydrophobicContact CD1-CG1 3.8Å; I441-L454 HydrophobicContact CG2-CB 4.23Å; I441-L454 HydrophobicContact CG2-CD1 4.17Å; I441-L457 HydrophobicContact CD1-CD1 3.29Å
442	V	98.7	Very high	97.8	Very high	2 Å²	2	56 Å²	56	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-70.3	-34.2	-179.5	175.4	0	0	0	0	111	K31 I34 L35 L38 L438 I439 N444 L445 L454	K31-V442 HydrophobicContact CB-CG1 4.46Å; K31-V442 WeakPolarHBondContact CD-O 3.33Å; K31-V442 VanDerWaalsContact CG-O 3.31Å; K31-V442 WeakPolarHBondContact CG-O 3.26Å; K31-V442 VanDerWaalsContact O-CG1 3.29Å; K31-V442 WeakPolarHBondContact O-CG1 3.4Å; I34-V442 HydrophobicContact CB-CG1 4.19Å; I34-V442 HydrophobicContact CG2-CG1 3.9Å; I34-V442 HydrophobicContact CG2-CG2 4.17Å; L35-V442 HydrophobicContact CB-CG1 3.91Å; L35-V442 HydrophobicContact CD1-CB 4.29Å; L35-V442 HydrophobicContact CD1-CG1 4.43Å; L35-V442 HydrophobicContact CD1-CG2 4.48Å; L38-V442 HydrophobicContact CD1-CG2 4.05Å; L438-V442 WeakPolarHBondContact O-CB 3.27Å; L438-V442 VanDerWaalsContact O-CG2 3.27Å; L438-V442 WeakPolarHBondContact O-CG2 3.48Å; L438-V442 PolarHBondContact O-N 3.18Å; I439-V442 PolarHBondContact O-N 2.86Å; V442-N444 VanDerWaalsContact C-N 3.3Å; V442-N444 PolarHBondContact O-N 2.85Å; V442-L445 WeakPolarHBondContact O-CB 3.36Å; V442-L454 HydrophobicContact CG2-CD1 4.26Å
443	E	98.5	Very high	97.9	Very high	92 Å²	92	55.3 Å²	55.3	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-32.4	175.2	-173.5	-175.2	-165.9	0	0	112.5	K31 I439 I441	K31-E443 WeakPolarHBondContact CD-O 3.3Å; K31-E443 WeakPolarHBondContact CE-O 3.22Å; K31-E443 PolarHBondContact NZ-O 3.48Å; I439-E443 VanDerWaalsContact O-CB 3.28Å; I439-E443 WeakPolarHBondContact O-CB 3.48Å; I439-E443 PolarHBondContact O-N 3.45Å; I441-E443 VanDerWaalsContact C-N 3.34Å
444	N	98.6	Very high	98.1	Very high	68 Å²	68	49.1 Å²	49.1	36%	0.364	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	33.6	-178.8	-56.3	-84.3	0	0	0	111.5	K440 I441 V442 E446 D447	K440-N444 PolarHBondContact O-N 2.99Å; K440-N444 PolarHBondContact O-ND2 3.28Å; I441-N444 CarbonylContact O-C 3.36Å; I441-N444 PolarHBondContact O-N 2.9Å; V442-N444 VanDerWaalsContact C-N 3.3Å; V442-N444 PolarHBondContact O-N 2.85Å; N444-E446 PolarHBondContact O-N 3.4Å; N444-D447 PolarHBondContact O-N 2.94Å
445	L	98.8	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.5	-29.4	-169.6	-170.9	58.3	0	0	0	113	K31 I34 G127 L130 L131 I441 V442 D447 L448 L454	K31-L445 HydrophobicContact CD-CB 4.19Å; K31-L445 HydrophobicContact CG-CB 4.28Å; I34-L445 HydrophobicContact CD1-CD2 3.74Å; G127-L445 CarbonylContact C-O 3.55Å; G127-L445 WeakPolarHBondContact CA-O 3.48Å; L130-L445 HydrophobicContact CD2-CD2 3.94Å; L131-L445 HydrophobicContact CD1-CB 4.31Å; L131-L445 HydrophobicContact CD1-CG 4.36Å; L131-L445 HydrophobicContact CD2-CD2 4.08Å; L131-L445 HydrophobicContact CG-CD2 4.08Å; L131-L445 HydrophobicContact CG-CG 4.27Å; I441-L445 HydrophobicContact CG2-CD1 4.45Å; I441-L445 VanDerWaalsContact O-CA 3.27Å; I441-L445 WeakPolarHBondContact O-CA 3.3Å; I441-L445 PolarHBondContact O-N 3.25Å; V442-L445 WeakPolarHBondContact O-CB 3.36Å; L445-D447 PolarHBondContact O-N 2.65Å; L445-L448 HydrophobicContact CD1-CB 4.33Å; L445-L448 HydrophobicContact CD1-CD2 3.85Å; L445-L448 WeakPolarHBondContact O-CB 3.22Å; L445-L448 PolarHBondContact O-N 3.35Å; L445-L454 HydrophobicContact CD1-CD2 4.3Å
446	E	98.7	Very high	98.2	Very high	54 Å²	54	51.5 Å²	51.5	25%	0.252	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.5	-26.1	174.5	62.4	-90.7	-131.7	0	0	113.4	K31 L128 L131 N444	K31-E446 VanDerWaalsContact CD-OE2 3.22Å; K31-E446 WeakPolarHBondContact CD-OE2 3.5Å; K31-E446 WeakPolarHBondContact CE-OE2 3.43Å; K31-E446 IonicContact NZ-OE1 2.85Å; K31-E446 PolarHBondContact NZ-OE1 3.46Å; K31-E446 IonicContact NZ-OE2 2.71Å; K31-E446 PolarHBondContact NZ-OE2 3.26Å; L128-E446 HydrophobicContact CD2-CB 3.85Å; L128-E446 HydrophobicContact CG-CB 4.24Å; L128-E446 WeakPolarHBondContact CG-O 3.37Å; L131-E446 HydrophobicContact CD1-CB 4.02Å; N444-E446 PolarHBondContact O-N 3.4Å
447	D	98.6	Very high	98.1	Very high	119 Å²	119	49.8 Å²	49.8	64%	0.636	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-92.8	-3.3	-179.1	-60.3	-42.3	0	0	0	112.5	N444 L445 E449	N444-D447 PolarHBondContact O-N 2.94Å; L445-D447 PolarHBondContact O-N 2.65Å; D447-E449 PolarHBondContact O-N 3.38Å
448	L	98.6	Very high	98	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.141	25%	0.246	C	C	.	.			trans	-75.7	112.4	-176.8	-173.3	68.6	0	0	0	111.2	S126 G127 I441 L445 D450 V453 L454	S126-L448 CarbonylContact C-O 3.39Å; S126-L448 WeakPolarHBondContact CA-O 3.4Å; S126-L448 WeakPolarHBondContact CB-O 3.45Å; G127-L448 PolarHBondContact N-O 3.48Å; I441-L448 HydrophobicContact CG2-CD2 4.03Å; L445-L448 HydrophobicContact CD1-CB 4.33Å; L445-L448 HydrophobicContact CD1-CD2 3.85Å; L445-L448 WeakPolarHBondContact O-CB 3.22Å; L445-L448 PolarHBondContact O-N 3.35Å; L448-D450 VanDerWaalsContact C-N 3.33Å; L448-D450 PolarHBondContact O-N 2.82Å; L448-V453 HydrophobicContact CD1-CB 4.11Å; L448-V453 HydrophobicContact CD1-CG1 4.49Å; L448-V453 HydrophobicContact CD1-CG2 4.34Å; L448-L454 HydrophobicContact CD2-CB 4.23Å
449	E	98.5	Very high	97.8	Very high	170 Å²	170	50.6 Å²	50.6	79%	0.794	26%	0.259	S	S	*	.	S	Bend	trans	-72.2	-24.5	179.8	-62.2	-175.1	176.9	0	0	113.9	D447	D447-E449 PolarHBondContact O-N 3.38Å
450	D	98.4	Very high	96.9	Very high	32 Å²	32	51 Å²	51	17%	0.171	27%	0.266	C	S	.	.			trans	-144	110.8	-174.3	-171.7	-15.2	0	0	0	111.9	K124 L448 S452 V453	K124-D450 HydrophobicContact CD-CB 4.06Å; K124-D450 VanDerWaalsContact CD-OD2 3.26Å; K124-D450 WeakPolarHBondContact CD-OD2 3.14Å; K124-D450 VanDerWaalsContact CE-OD2 3.23Å; K124-D450 WeakPolarHBondContact CE-OD2 3.43Å; K124-D450 IonicContact NZ-OD2 2.71Å; K124-D450 PolarHBondContact NZ-OD2 3.22Å; L448-D450 VanDerWaalsContact C-N 3.33Å; L448-D450 PolarHBondContact O-N 2.82Å; D450-S452 PolarHBondContact O-N 2.96Å; D450-S452 VanDerWaalsContact O-N 3.09Å; D450-S452 WeakPolarHBondContact OD1-CB 3.3Å; D450-S452 PolarHBondContact OD1-N 2.86Å; D450-S452 PolarHBondContact OD1-OG 2.8Å; D450-S452 PolarHBondContact OD2-OG 3.06Å; D450-S452 VanDerWaalsContact OD2-OG 3.07Å; D450-V453 WeakPolarHBondContact O-CG2 3.48Å; D450-V453 PolarHBondContact O-N 3.12Å
451	C	98.1	Very high	95.9	Very high	3 Å²	3	47 Å²	47	2%	0.02	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.6	178.2	-76.4	0	0	0	0	114.4	F125 S126 V453 L454 T455	F125-C451 HydrophobicContact CD1-CB 4.05Å; F125-C451 VanDerWaalsContact O-CB 3.3Å; F125-C451 WeakPolarHBondContact O-CB 3.4Å; F125-C451 PolarHBondContact O-N 2.81Å; F125-C451 PolarHBondContact O-SG 3.06Å; S126-C451 PolarHBondContact O-SG 2.81Å; C451-V453 PolarHBondContact O-N 3.1Å; C451-L454 PolarHBondContact O-N 3.34Å; C451-L454 VanDerWaalsContact O-N 3.14Å; C451-T455 PolarHBondContact O-N 2.86Å; C451-T455 PolarHBondContact O-OG1 2.86Å
452	S	97.3	Very high	93.9	Very high	53 Å²	53	50.4 Å²	50.4	37%	0.371	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-25	174	67.3	0	0	0	0	112.8	D450 T455 T456	D450-S452 PolarHBondContact O-N 2.96Å; D450-S452 VanDerWaalsContact O-N 3.09Å; D450-S452 WeakPolarHBondContact OD1-CB 3.3Å; D450-S452 PolarHBondContact OD1-N 2.86Å; D450-S452 PolarHBondContact OD1-OG 2.8Å; D450-S452 PolarHBondContact OD2-OG 3.06Å; D450-S452 VanDerWaalsContact OD2-OG 3.07Å; S452-T455 WeakPolarHBondContact CA-OG1 3.47Å; S452-T455 PolarHBondContact O-OG1 2.82Å; S452-T456 WeakPolarHBondContact O-CB 3.43Å; S452-T456 PolarHBondContact O-N 3.45Å; S452-T456 PolarHBondContact O-OG1 2.73Å
453	V	97.8	Very high	91.6	Very high	69 Å²	69	54.6 Å²	54.6	42%	0.418	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-47.4	172.9	-176.9	0	0	0	0	110.2	I441 L448 D450 C451 L457	I441-V453 HydrophobicContact CD1-CG1 3.8Å; L448-V453 HydrophobicContact CD1-CB 4.11Å; L448-V453 HydrophobicContact CD1-CG1 4.49Å; L448-V453 HydrophobicContact CD1-CG2 4.34Å; D450-V453 WeakPolarHBondContact O-CG2 3.48Å; D450-V453 PolarHBondContact O-N 3.12Å; C451-V453 PolarHBondContact O-N 3.1Å; V453-L457 PolarHBondContact O-N 2.88Å
454	L	97.8	Very high	89	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-54.3	176.5	175.8	61.3	0	0	0	110.9	L130 L438 I441 V442 L445 L448 C451 T456 L457 L458	L130-L454 HydrophobicContact CD1-CD2 3.96Å; L438-L454 HydrophobicContact CD2-CD1 3.72Å; I441-L454 HydrophobicContact CG2-CB 4.23Å; I441-L454 HydrophobicContact CG2-CD1 4.17Å; V442-L454 HydrophobicContact CG2-CD1 4.26Å; L445-L454 HydrophobicContact CD1-CD2 4.3Å; L448-L454 HydrophobicContact CD2-CB 4.23Å; C451-L454 PolarHBondContact O-N 3.34Å; C451-L454 VanDerWaalsContact O-N 3.14Å; L454-T456 VanDerWaalsContact C-N 3.25Å; L454-T456 PolarHBondContact O-N 2.97Å; L454-L457 PolarHBondContact O-N 3.22Å; L454-L457 VanDerWaalsContact O-N 3.09Å; L454-L458 HydrophobicContact CD1-CD2 4.48Å; L454-L458 WeakPolarHBondContact O-CG 3.4Å; L454-L458 PolarHBondContact O-N 2.69Å
455	T	96.8	Very high	86.1	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.043	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-27.2	-174.5	58.4	0	0	0	0	113.2	C451 S452 L458	C451-T455 PolarHBondContact O-N 2.86Å; C451-T455 PolarHBondContact O-OG1 2.86Å; S452-T455 WeakPolarHBondContact CA-OG1 3.47Å; S452-T455 PolarHBondContact O-OG1 2.82Å; T455-L458 PolarHBondContact O-N 3.27Å
456	T	96.9	Very high	83.1	Confident	76 Å²	76	70.5 Å²	70.5	47%	0.466	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-38.8	173.4	-64.3	0	0	0	0	112.2	S452 L454 L458 K459	S452-T456 WeakPolarHBondContact O-CB 3.43Å; S452-T456 PolarHBondContact O-N 3.45Å; S452-T456 PolarHBondContact O-OG1 2.73Å; L454-T456 VanDerWaalsContact C-N 3.25Å; L454-T456 PolarHBondContact O-N 2.97Å; T456-L458 VanDerWaalsContact C-N 3.27Å; T456-L458 PolarHBondContact O-N 2.74Å; T456-K459 WeakPolarHBondContact O-CB 3.4Å; T456-K459 VanDerWaalsContact O-CG 3.29Å; T456-K459 WeakPolarHBondContact O-CG 3.5Å; T456-K459 PolarHBondContact O-N 3.38Å
457	L	96.3	Very high	80	Confident	40 Å²	40	72 Å²	72	21%	0.209	41%	0.414	C	S	.	.	H	α-helix	trans	-70	-26.6	176.4	-66.1	172.8	0	0	0	112.4	T434 L438 I441 V453 L454 K459 G460	T434-L457 HydrophobicContact CG2-CB 4.32Å; T434-L457 HydrophobicContact CG2-CD2 4.16Å; L438-L457 HydrophobicContact CD2-CB 3.65Å; L438-L457 HydrophobicContact CD2-CD1 4.07Å; L438-L457 HydrophobicContact CG-CB 4.07Å; L438-L457 HydrophobicContact CG-CD1 4.3Å; I441-L457 HydrophobicContact CD1-CD1 3.29Å; V453-L457 PolarHBondContact O-N 2.88Å; L454-L457 PolarHBondContact O-N 3.22Å; L454-L457 VanDerWaalsContact O-N 3.09Å; L457-K459 PolarHBondContact O-N 3.18Å; L457-G460 PolarHBondContact O-N 2.68Å
458	L	96.3	Very high	77	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.01	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.5	179.3	-58.8	-176.4	0	0	0	114.2	L38 F42 W69 G70 T113 L438 L454 T455 T456 G460	L38-L458 HydrophobicContact CD1-CD2 4.27Å; L38-L458 HydrophobicContact CD2-CD1 4.07Å; L38-L458 HydrophobicContact CD2-CD2 3.73Å; F42-L458 HydrophobicContact CE2-CD2 3.95Å; F42-L458 HydrophobicContact CZ-CB 4.49Å; F42-L458 HydrophobicContact CZ-CD2 3.83Å; W69-L458 WeakPolarHBondContact CA-O 3.02Å; G70-L458 PolarHBondContact N-O 2.66Å; T113-L458 HydrophobicContact CG2-CD1 3.66Å; L438-L458 HydrophobicContact CD1-CD2 4.45Å; L438-L458 HydrophobicContact CD2-CD2 3.83Å; L454-L458 HydrophobicContact CD1-CD2 4.48Å; L454-L458 WeakPolarHBondContact O-CG 3.4Å; L454-L458 PolarHBondContact O-N 2.69Å; T455-L458 PolarHBondContact O-N 3.27Å; T456-L458 VanDerWaalsContact C-N 3.27Å; T456-L458 PolarHBondContact O-N 2.74Å; L458-G460 PolarHBondContact O-N 3.04Å
459	K	93.1	Very high	74.1	Confident	64 Å²	64	77.2 Å²	77.2	28%	0.278	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.3	177.2	-53	-174.3	172.9	167.2	0	112.2	T67 G70 R71 P72 E117 T456 L457	T67-K459 HydrophobicContact CG2-CB 4.01Å; T67-K459 HydrophobicContact CG2-CG 3.75Å; T67-K459 WeakPolarHBondContact OG1-CE 3.42Å; G70-K459 CarbonylContact C-O 3.46Å; G70-K459 WeakPolarHBondContact CA-O 3.48Å; R71-K459 PolarHBondContact N-O 3.45Å; P72-K459 WeakPolarHBondContact CD-O 3.38Å; E117-K459 WeakPolarHBondContact OE1-CE 3.27Å; E117-K459 IonicContact OE1-NZ 3.59Å; T456-K459 WeakPolarHBondContact O-CB 3.4Å; T456-K459 VanDerWaalsContact O-CG 3.29Å; T456-K459 WeakPolarHBondContact O-CG 3.5Å; T456-K459 PolarHBondContact O-N 3.38Å; L457-K459 PolarHBondContact O-N 3.18Å
460	G	80.6	Confident	71.4	Confident	16 Å²	16	74.3 Å²	74.3	17%	0.165	45%	0.449	C	S	.	.			trans	79.1	178	-170.6	0	0	0	0	0	113.2	L430 L457 L458	L430-G460 VanDerWaalsContact CD2-CA 3.48Å; L457-G460 PolarHBondContact O-N 2.68Å; L458-G460 PolarHBondContact O-N 3.04Å
461	P	77	Confident	68.4	Low	61 Å²	61	77.5 Å²	77.5	40%	0.396	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-65.3	141.8	-179.1	29.2	-34.2	0	0	0	110.3	P431	P431-P461 HydrophobicContact CG-CB 3.91Å; P431-P461 HydrophobicContact CG-CG 4.16Å
462	S	57.2	Low	65.5	Low	103 Å²	103	81.8 Å²	81.8	72%	0.72	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-53.8	140.7	167	-60	0	0	0	0	109.3
463	P	50.8	Low	62.5	Low	89 Å²	89	90.8 Å²	90.8	58%	0.578	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-56.5	141	175.2	16.1	-20.3	0	0	0	108.8	E465	P463-E465 PolarHBondContact O-N 3.42Å
464	P	42.4	Very low	59.5	Low	119 Å²	119	94.6 Å²	94.6	77%	0.773	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-55.2	130	174.2	22.1	-30.6	0	0	0	108.1	M466	P464-M466 PolarHBondContact O-N 3.46Å
465	E	37.4	Very low	56.5	Low	192 Å²	192	101.7 Å²	101.7	90%	0.897	59%	0.593	S	S	*	*			trans	-52	112.4	171.1	-77.9	-177.5	164.6	0	0	107	P463 A467	P463-E465 PolarHBondContact O-N 3.42Å; E465-A467 VanDerWaalsContact C-N 3.32Å; E465-A467 PolarHBondContact O-N 2.86Å
466	M	36.1	Very low	53.6	Low	183 Å²	183	106.8 Å²	106.8	90%	0.901	63%	0.629	S	S	*	*			trans	-60.4	106.6	166.5	-83.7	-163	-81.1	0	0	105.4	P464 S468	P464-M466 PolarHBondContact O-N 3.46Å; M466-S468 PolarHBondContact O-N 3.11Å
467	A	33.6	Very low	50.7	Low	85 Å²	85	111.5 Å²	111.5	70%	0.702	65%	0.649	S	S	*	*			trans	-49.3	109	169.5	0	0	0	0	0	106.9	E465 N469	E465-A467 VanDerWaalsContact C-N 3.32Å; E465-A467 PolarHBondContact O-N 2.86Å; A467-N469 PolarHBondContact O-N 3.14Å
468	S	36.1	Very low	48	Very low	103 Å²	103	115.5 Å²	115.5	72%	0.72	68%	0.675	S	S	*	*			trans	-66.2	87.2	172.9	45.6	0	0	0	0	107.1	M466 S470	M466-S468 PolarHBondContact O-N 3.11Å; S468-S470 PolarHBondContact O-N 3.09Å
469	N	37.4	Very low	45.1	Very low	154 Å²	154	122.3 Å²	122.3	82%	0.824	71%	0.712	S	S	*	*			trans	-71.4	67.3	160.3	-85.2	-9.4	0	0	0	108.3	A467	A467-N469 PolarHBondContact O-N 3.14Å
470	S	41.4	Very low	42.5	Very low	108 Å²	108	127.2 Å²	127.2	76%	0.755	74%	0.74	S	S	*	*			trans	-100.1	72.6	156.8	65.2	0	0	0	0	107.6	S468	S468-S470 PolarHBondContact O-N 3.09Å
471	S	35.5	Very low	40.6	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	80%	0.797	S	S	*	*			trans	-121.5	104.1	164.8	63.2	0	0	0	0	109.4
472	A	38.5	Very low	38.8	Very low	93 Å²	93	139.4 Å²	139.4	77%	0.769	82%	0.817	S	S	*	*			trans	55.5	87.6	149.9	0	0	0	0	0	118.3
473	Y	32.8	Very low	37.9	Very low	243 Å²	243	141.3 Å²	141.3	95%	0.953	82%	0.822	S	S	*	*			trans	-118.1	84.5	138.5	-101.9	-87.2	0	0	0	107.8
474	N	35	Very low	37.1	Very low	148 Å²	148	144.2 Å²	144.2	79%	0.791	84%	0.835	S	S	*	*			trans	-142.7	133.6	159.5	-111.7	-9.5	0	0	0	108.4
475	N	35.6	Very low	36.8	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	84%	0.839	S	S	*	*			trans	90	92.1	174.3	-56.5	-18.2	0	0	0	116.8
476	S	35.9	Very low	36.8	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	84%	0.836	S	S	*	*				175.8	87	116.8	52.7	0	0	0	0	111.6
477	I	35.8	Very low	36.8	Very low	175 Å²	175	140.1 Å²	140.1	90%	0.897	83%	0.831	S	S	*	*			trans	-139.3	90.9	147.7	-56.1	-177.7	0	0	0	107.4
478	T	38.9	Very low	37.1	Very low	124 Å²	124	144.1 Å²	144.1	76%	0.761	84%	0.84	S	S	*	*			trans	-125.5	129.7	151.4	25.7	0	0	0	0	107.3
479	N	36.2	Very low	37.1	Very low	146 Å²	146	147.2 Å²	147.2	78%	0.781	85%	0.85	S	S	*	*			trans	71.5	112.5	161.9	-56.8	-21.1	0	0	0	118.3
480	L	39.3	Very low	37.1	Very low	167 Å²	167	146.7 Å²	146.7	87%	0.874	85%	0.852	S	S	*	*				-169.4	126.7	108.8	-94.1	155	0	0	0	111.1
481	S	40.5	Very low	36.7	Very low	193 Å²	193	150.2 Å²	150.2	100%	1.35	86%	0.861	S	S	*	*			trans	55	0	160.7	61.2	0	0	0	0	120

Retrieved 481 of 481 residues in 349 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).