A0A2K5Y8P9_MANLE Loading...

Solute carrier family 24 member 4

AlphaFold DB , UniProt , Accession A0A2K5Y8P9, Species MANLE (Mandrillus leucophaeus, Drill), Gene SLC24A4, Length 622 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	32.7	Very low	35.6	Very low	241 Å²	241	162.2 Å²	162.2	100%	1.187	85%	0.849	S	S	*	*				0	89.3	0	-90.6	166	158.8	0	0	107.4
2	A	35.2	Very low	36.2	Very low	92 Å²	92	157 Å²	157	76%	0.76	83%	0.829	S	S	*	*				62.5	104	78	0	0	0	0	0	112.9
3	L	29.8	Very low	36.1	Very low	174 Å²	174	160.5 Å²	160.5	91%	0.911	82%	0.824	S	S	*	*				-167.1	105.3	117.2	-114.4	121.6	0	0	0	111.5
4	R	33.7	Very low	36.5	Very low	242 Å²	242	163.3 Å²	163.3	91%	0.913	82%	0.819	S	S	*	*			trans	-67.2	122.7	157	-98.7	174.1	173.8	175.1	-1.1	107.9
5	G	29.8	Very low	37.1	Very low	74 Å²	74	162.7 Å²	162.7	76%	0.763	80%	0.803	S	S	*	*			trans	-101.6	98.9	167.3	0	0	0	0	0	110.8	L7	G5-L7 PolarHBondContact O-N 3.44Å
6	T	38.3	Very low	37.5	Very low	140 Å²	140	165.5 Å²	165.5	86%	0.859	80%	0.802	S	S	*	*			trans	-63	115.9	175.1	20.7	0	0	0	0	112.6
7	L	33.3	Very low	38	Very low	166 Å²	166	162.6 Å²	162.6	87%	0.869	79%	0.786	S	S	*	*			trans	-130	87.3	166.4	-100.2	156.9	0	0	0	110.4	G5	G5-L7 PolarHBondContact O-N 3.44Å
8	R	44	Very low	38.6	Very low	231 Å²	231	158.9 Å²	158.9	87%	0.872	77%	0.769	S	S	*	*			trans	-176.9	123.9	146.4	-98	168.5	-153.5	-145.9	9.3	106.6
9	P	39.6	Very low	39.2	Very low	102 Å²	102	155.2 Å²	155.2	66%	0.662	75%	0.753	S	S	*	*	S	Bend		-154.2	39.2	89.9	39.8	-18.8	0	0	0	115.4
10	L	37.5	Very low	39.9	Very low	159 Å²	159	151.7 Å²	151.7	83%	0.832	74%	0.743	S	S	*	*	H	α-helix	trans	-81.3	-18.9	178.8	-90.9	150.4	0	0	0	114.7
11	K	38.2	Very low	40.5	Very low	163 Å²	163	150.9 Å²	150.9	71%	0.709	74%	0.738	S	S	*	*	H	α-helix	trans	-84.4	-12.2	-178.9	-104.9	176.9	-179.6	175	0	115.2
12	V	42.3	Very low	41.4	Very low	100 Å²	100	143.5 Å²	143.5	61%	0.606	70%	0.7	S	S	*	*	H	α-helix	trans	-90.6	-34.1	-177.9	-179.9	0	0	0	0	111.4	R15	V12-R15 PolarHBondContact O-N 3.31Å
13	R	35.3	Very low	42.7	Very low	203 Å²	203	143.1 Å²	143.1	77%	0.766	69%	0.688	S	S	*	*	H	α-helix	trans	-69.7	-38.9	-176.3	-157.8	168.9	178.4	172.4	-1.2	112.8	R15	R13-R15 VanDerWaalsContact C-N 3.27Å; R13-R15 PolarHBondContact O-N 3.44Å
14	R	41.8	Very low	44.5	Very low	199 Å²	199	136.6 Å²	136.6	75%	0.751	66%	0.663	S	S	*	*	H	α-helix	trans	-73.8	-8.5	178.4	-140.2	177.7	-165.2	-178.4	3.8	115.1
15	R	44.4	Very low	45.9	Very low	154 Å²	154	130.6 Å²	130.6	58%	0.581	64%	0.644	S	S	*	*	H	α-helix	trans	-99.1	-20.5	179.4	-71.1	-173.7	-162.6	-138.7	-2.5	113.9	V12 R13 E17	V12-R15 PolarHBondContact O-N 3.31Å; R13-R15 VanDerWaalsContact C-N 3.27Å; R13-R15 PolarHBondContact O-N 3.44Å; R15-E17 VanDerWaalsContact C-N 3.29Å
16	R	43.5	Very low	47.3	Very low	208 Å²	208	129.1 Å²	129.1	79%	0.785	62%	0.619	S	S	*	*	H	α-helix	trans	-74.3	-21.5	171.7	-95.8	-175.8	173.1	-173.3	-2.3	112.7	P20	R16-P20 WeakPolarHBondContact O-CD 3.16Å
17	E	47.4	Very low	48.6	Very low	116 Å²	116	126 Å²	126	54%	0.542	60%	0.603	S	S	.	*	S	Bend	trans	-80	-18.6	178.9	-69.7	172.7	175.8	0	0	113.5	R15 P20	R15-E17 VanDerWaalsContact C-N 3.29Å; E17-P20 WeakPolarHBondContact O-CD 3.45Å; E17-P20 WeakPolarHBondContact O-CG 3.36Å
18	M	47.5	Very low	50.2	Low	97 Å²	97	120.4 Å²	120.4	48%	0.478	58%	0.58	S	S	.	*	H	α-helix	trans	-82	-22.5	178.3	-64.3	-167.8	-145.9	0	0	113.7	Q21 Q22	M18-Q21 CarbonylContact O-C 3.45Å; M18-Q21 PolarHBondContact O-N 3.37Å; M18-Q22 WeakPolarHBondContact O-CB 3.48Å; M18-Q22 VanDerWaalsContact O-CG 3.25Å; M18-Q22 WeakPolarHBondContact O-CG 3.38Å; M18-Q22 PolarHBondContact O-N 3.37Å
19	L	50.2	Low	51.3	Low	88 Å²	88	111.8 Å²	111.8	46%	0.461	55%	0.553	S	S	.	*	H	α-helix	trans	-63.9	-46.5	178.8	-117.1	151.4	0	0	0	113.2	Q21 Q22 V23	L19-Q21 VanDerWaalsContact C-N 3.26Å; L19-Q21 PolarHBondContact O-N 3.28Å; L19-Q22 PolarHBondContact O-N 3.2Å; L19-V23 WeakPolarHBondContact O-CB 3.44Å; L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.47Å; L19-V23 PolarHBondContact O-N 3.26Å
20	P	53.7	Low	52.5	Low	85 Å²	85	111.9 Å²	111.9	55%	0.552	55%	0.548	S	S	*	.	H	α-helix	trans	-68.7	-25.8	172.2	26.4	-33.6	0	0	0	112.5	R16 E17 G24	R16-P20 WeakPolarHBondContact O-CD 3.16Å; E17-P20 WeakPolarHBondContact O-CD 3.45Å; E17-P20 WeakPolarHBondContact O-CG 3.36Å; P20-G24 WeakPolarHBondContact O-CA 3.21Å; P20-G24 PolarHBondContact O-N 3.16Å
21	Q	52.2	Low	54	Low	135 Å²	135	106.7 Å²	106.7	63%	0.631	53%	0.527	S	S	*	.	H	α-helix	trans	-74.3	-35.7	173.6	-70.6	178.8	-30.2	0	0	112.5	M18 L19 F25	M18-Q21 CarbonylContact O-C 3.45Å; M18-Q21 PolarHBondContact O-N 3.37Å; L19-Q21 VanDerWaalsContact C-N 3.26Å; L19-Q21 PolarHBondContact O-N 3.28Å; Q21-F25 WeakPolarHBondContact O-CB 3.46Å; Q21-F25 PolarHBondContact O-N 3.43Å
22	Q	52.5	Low	55.5	Low	86 Å²	86	104.7 Å²	104.7	40%	0.402	52%	0.524	S	S	.	.	H	α-helix	trans	-72.3	-44.9	175.4	-75.4	177.5	-49.3	0	0	111.1	M18 L19 G24 F25 V26	M18-Q22 WeakPolarHBondContact O-CB 3.48Å; M18-Q22 VanDerWaalsContact O-CG 3.25Å; M18-Q22 WeakPolarHBondContact O-CG 3.38Å; M18-Q22 PolarHBondContact O-N 3.37Å; L19-Q22 PolarHBondContact O-N 3.2Å; Q22-G24 VanDerWaalsContact C-N 3.34Å; Q22-F25 PolarHBondContact O-N 3.35Å; Q22-V26 VanDerWaalsContact O-CG2 3.3Å; Q22-V26 WeakPolarHBondContact O-CG2 3.45Å; Q22-V26 PolarHBondContact O-N 3Å
23	V	62.1	Low	56.5	Low	84 Å²	84	103.9 Å²	103.9	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-41.4	172.6	175.3	0	0	0	0	110.5	L19 F25 V26 C27	L19-V23 WeakPolarHBondContact O-CB 3.44Å; L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.47Å; L19-V23 PolarHBondContact O-N 3.26Å; V23-F25 VanDerWaalsContact C-N 3.35Å; V23-F25 PolarHBondContact O-N 3.05Å; V23-V26 PolarHBondContact O-N 3.33Å; V23-C27 WeakPolarHBondContact O-CB 3.49Å; V23-C27 PolarHBondContact O-N 3.45Å; V23-C27 PolarHBondContact O-SG 3.49Å
24	G	67.2	Low	57.8	Low	36 Å²	36	98.4 Å²	98.4	37%	0.371	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-38	174.6	0	0	0	0	0	113	P20 Q22 A28	P20-G24 WeakPolarHBondContact O-CA 3.21Å; P20-G24 PolarHBondContact O-N 3.16Å; Q22-G24 VanDerWaalsContact C-N 3.34Å; G24-A28 WeakPolarHBondContact O-CB 3.3Å; G24-A28 PolarHBondContact O-N 2.96Å
25	F	63.2	Low	58.4	Low	117 Å²	117	92.8 Å²	92.8	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-71.1	-41.4	175.6	-174	-100.1	0	0	0	111.9	Q21 Q22 V23 A28 V29 V439	Q21-F25 WeakPolarHBondContact O-CB 3.46Å; Q21-F25 PolarHBondContact O-N 3.43Å; Q22-F25 PolarHBondContact O-N 3.35Å; V23-F25 VanDerWaalsContact C-N 3.35Å; V23-F25 PolarHBondContact O-N 3.05Å; F25-A28 CarbonylContact O-C 3.59Å; F25-A28 PolarHBondContact O-N 3.4Å; F25-V29 HydrophobicContact CD1-CG2 4.04Å; F25-V29 HydrophobicContact CE1-CG2 3.68Å; F25-V29 HydrophobicContact CE2-CG2 4.32Å; F25-V29 HydrophobicContact CG-CG2 4.5Å; F25-V29 HydrophobicContact CZ-CG2 3.84Å; F25-V29 WeakPolarHBondContact O-CB 3.46Å; F25-V29 VanDerWaalsContact O-CG2 3.29Å; F25-V29 WeakPolarHBondContact O-CG2 3.39Å; F25-V29 PolarHBondContact O-N 3.42Å; F25-V439 HydrophobicContact CD1-CG1 4.07Å; F25-V439 HydrophobicContact CE1-CG1 4.23Å
26	V	60	Low	59.1	Low	42 Å²	42	87.2 Å²	87.2	26%	0.255	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-43.8	174.3	171.3	0	0	0	0	110.7	Q22 V23 A28 V29 L30	Q22-V26 VanDerWaalsContact O-CG2 3.3Å; Q22-V26 WeakPolarHBondContact O-CG2 3.45Å; Q22-V26 PolarHBondContact O-N 3Å; V23-V26 PolarHBondContact O-N 3.33Å; V26-A28 VanDerWaalsContact C-N 3.31Å; V26-A28 PolarHBondContact O-N 3.3Å; V26-V29 PolarHBondContact O-N 3.45Å; V26-L30 HydrophobicContact CG1-CD1 3.92Å; V26-L30 HydrophobicContact CG1-CG 4.44Å; V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.34Å; V26-L30 PolarHBondContact O-N 3.48Å
27	C	63.7	Low	59.7	Low	75 Å²	75	81.1 Å²	81.1	51%	0.507	48%	0.477	S	S	.	.	H	α-helix	trans	-64	-35.8	172.6	-71.6	0	0	0	0	112.1	V23 A31	V23-C27 WeakPolarHBondContact O-CB 3.49Å; V23-C27 PolarHBondContact O-N 3.45Å; V23-C27 PolarHBondContact O-SG 3.49Å; C27-A31 WeakPolarHBondContact O-CB 3.36Å; C27-A31 PolarHBondContact O-N 2.95Å
28	A	67.4	Low	60.3	Low	48 Å²	48	77.2 Å²	77.2	40%	0.397	47%	0.468	S	S	.	.	H	α-helix	trans	-70.8	-37.4	176.5	0	0	0	0	0	112.3	G24 F25 V26 L32	G24-A28 WeakPolarHBondContact O-CB 3.3Å; G24-A28 PolarHBondContact O-N 2.96Å; F25-A28 CarbonylContact O-C 3.59Å; F25-A28 PolarHBondContact O-N 3.4Å; V26-A28 VanDerWaalsContact C-N 3.31Å; V26-A28 PolarHBondContact O-N 3.3Å; A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.49Å; A28-L32 PolarHBondContact O-N 2.9Å
29	V	68.3	Low	60.1	Low	50 Å²	50	78.3 Å²	78.3	30%	0.303	48%	0.475	S	S	.	.	H	α-helix	trans	-71.2	-44.2	175.1	171.6	0	0	0	0	110.5	F25 V26 A31 L32 V33	F25-V29 HydrophobicContact CD1-CG2 4.04Å; F25-V29 HydrophobicContact CE1-CG2 3.68Å; F25-V29 HydrophobicContact CE2-CG2 4.32Å; F25-V29 HydrophobicContact CG-CG2 4.5Å; F25-V29 HydrophobicContact CZ-CG2 3.84Å; F25-V29 WeakPolarHBondContact O-CB 3.46Å; F25-V29 VanDerWaalsContact O-CG2 3.29Å; F25-V29 WeakPolarHBondContact O-CG2 3.39Å; F25-V29 PolarHBondContact O-N 3.42Å; V26-V29 PolarHBondContact O-N 3.45Å; V29-A31 VanDerWaalsContact C-N 3.3Å; V29-A31 PolarHBondContact O-N 3.47Å; V29-L32 CarbonylContact O-C 3.47Å; V29-L32 WeakPolarHBondContact O-CB 3.37Å; V29-L32 PolarHBondContact O-N 3.47Å; V29-L32 VanDerWaalsContact O-N 3.14Å; V29-V33 HydrophobicContact CG1-CG2 4.46Å; V29-V33 WeakPolarHBondContact O-CB 3.3Å; V29-V33 VanDerWaalsContact O-CG2 3.3Å; V29-V33 WeakPolarHBondContact O-CG2 3.25Å; V29-V33 PolarHBondContact O-N 2.9Å
30	L	64.2	Low	60	Low	105 Å²	105	81.8 Å²	81.8	55%	0.55	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-39.1	172.9	-73.1	170.7	0	0	0	111.4	V26 V33 C34	V26-L30 HydrophobicContact CG1-CD1 3.92Å; V26-L30 HydrophobicContact CG1-CG 4.44Å; V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.34Å; V26-L30 PolarHBondContact O-N 3.48Å; L30-V33 PolarHBondContact O-N 3.35Å; L30-C34 WeakPolarHBondContact O-CB 3.29Å; L30-C34 PolarHBondContact O-N 3.38Å; L30-C34 PolarHBondContact O-SG 2.9Å; L30-C34 VanDerWaalsContact O-SG 3.36Å
31	A	69.2	Low	59.7	Low	49 Å²	49	79.8 Å²	79.8	41%	0.405	48%	0.482	S	S	.	.	H	α-helix	trans	-67.1	-38.1	172.3	0	0	0	0	0	111.8	C27 V29 C34 C35	C27-A31 WeakPolarHBondContact O-CB 3.36Å; C27-A31 PolarHBondContact O-N 2.95Å; V29-A31 VanDerWaalsContact C-N 3.3Å; V29-A31 PolarHBondContact O-N 3.47Å; A31-C34 PolarHBondContact O-N 3.32Å; A31-C35 WeakPolarHBondContact O-CA 3.48Å; A31-C35 WeakPolarHBondContact O-CB 3.32Å; A31-C35 PolarHBondContact O-N 2.92Å; A31-C35 PolarHBondContact O-SG 3.03Å
32	L	68.8	Low	59.4	Low	122 Å²	122	78.3 Å²	78.3	64%	0.639	48%	0.478	S	S	*	.	H	α-helix	trans	-66.3	-39.5	175.2	-115	157.8	0	0	0	111.7	A28 V29 A36	A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.49Å; A28-L32 PolarHBondContact O-N 2.9Å; V29-L32 CarbonylContact O-C 3.47Å; V29-L32 WeakPolarHBondContact O-CB 3.37Å; V29-L32 PolarHBondContact O-N 3.47Å; V29-L32 VanDerWaalsContact O-N 3.14Å; L32-A36 WeakPolarHBondContact O-CB 3.11Å; L32-A36 PolarHBondContact O-N 3.41Å
33	V	63.5	Low	59	Low	82 Å²	82	79.2 Å²	79.2	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-67.5	-48.8	174.8	172.3	0	0	0	0	109.6	V29 L30 C35 A36 S37	V29-V33 HydrophobicContact CG1-CG2 4.46Å; V29-V33 WeakPolarHBondContact O-CB 3.3Å; V29-V33 VanDerWaalsContact O-CG2 3.3Å; V29-V33 WeakPolarHBondContact O-CG2 3.25Å; V29-V33 PolarHBondContact O-N 2.9Å; L30-V33 PolarHBondContact O-N 3.35Å; V33-C35 VanDerWaalsContact C-N 3.33Å; V33-C35 PolarHBondContact O-N 2.91Å; V33-A36 PolarHBondContact O-N 3.37Å; V33-S37 WeakPolarHBondContact O-CB 3.41Å; V33-S37 PolarHBondContact O-N 3.46Å; V33-S37 PolarHBondContact O-OG 3.49Å
34	C	64	Low	58.2	Low	89 Å²	89	77.1 Å²	77.1	60%	0.601	48%	0.48	S	S	*	.	H	α-helix	trans	-62.3	-37.9	174.8	-74.1	0	0	0	0	112.9	L30 A31 G38	L30-C34 WeakPolarHBondContact O-CB 3.29Å; L30-C34 PolarHBondContact O-N 3.38Å; L30-C34 PolarHBondContact O-SG 2.9Å; L30-C34 VanDerWaalsContact O-SG 3.36Å; A31-C34 PolarHBondContact O-N 3.32Å; C34-G38 PolarHBondContact O-N 3.28Å
35	C	53.4	Low	57.1	Low	80 Å²	80	82 Å²	82	54%	0.541	49%	0.493	S	S	.	.	H	α-helix	trans	-70	-37.1	174.8	-77.5	0	0	0	0	111.2	A31 V33 G38 L39	A31-C35 WeakPolarHBondContact O-CA 3.48Å; A31-C35 WeakPolarHBondContact O-CB 3.32Å; A31-C35 PolarHBondContact O-N 2.92Å; A31-C35 PolarHBondContact O-SG 3.03Å; V33-C35 VanDerWaalsContact C-N 3.33Å; V33-C35 PolarHBondContact O-N 2.91Å; C35-G38 CarbonylContact O-C 3.54Å; C35-G38 PolarHBondContact O-N 3.43Å; C35-L39 VanDerWaalsContact O-CB 3.26Å; C35-L39 WeakPolarHBondContact O-CB 2.94Å; C35-L39 PolarHBondContact O-N 2.88Å
36	A	58.3	Low	55.9	Low	38 Å²	38	83.9 Å²	83.9	31%	0.314	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-47	173.4	0	0	0	0	0	110.1	L32 V33 G38 L39 F40	L32-A36 WeakPolarHBondContact O-CB 3.11Å; L32-A36 PolarHBondContact O-N 3.41Å; V33-A36 PolarHBondContact O-N 3.37Å; A36-G38 VanDerWaalsContact C-N 3.27Å; A36-G38 PolarHBondContact O-N 3.28Å; A36-L39 PolarHBondContact O-N 3.48Å; A36-L39 VanDerWaalsContact O-N 3.11Å; A36-F40 HydrophobicContact CB-CD2 4.44Å; A36-F40 WeakPolarHBondContact O-CB 3.4Å; A36-F40 WeakPolarHBondContact O-CD2 3.34Å; A36-F40 PolarHBondContact O-N 3Å
37	S	57.1	Low	54.9	Low	79 Å²	79	86.5 Å²	86.5	55%	0.552	52%	0.517	S	S	*	.	H	α-helix	trans	-58	-39.8	173.7	-50	0	0	0	0	111.8	V33 G41	V33-S37 WeakPolarHBondContact O-CB 3.41Å; V33-S37 PolarHBondContact O-N 3.46Å; V33-S37 PolarHBondContact O-OG 3.49Å; S37-G41 PolarHBondContact O-N 2.87Å
38	G	58.9	Low	53.8	Low	34 Å²	34	85.8 Å²	85.8	35%	0.351	52%	0.517	S	S	.	.	H	α-helix	trans	-73.5	-32.5	174.4	0	0	0	0	0	114.3	C34 C35 A36 N42	C34-G38 PolarHBondContact O-N 3.28Å; C35-G38 CarbonylContact O-C 3.54Å; C35-G38 PolarHBondContact O-N 3.43Å; A36-G38 VanDerWaalsContact C-N 3.27Å; A36-G38 PolarHBondContact O-N 3.28Å; G38-N42 VanDerWaalsContact O-CB 3.28Å; G38-N42 WeakPolarHBondContact O-CB 3.36Å; G38-N42 PolarHBondContact O-N 3.35Å; G38-N42 PolarHBondContact O-ND2 3.04Å; G38-N42 VanDerWaalsContact O-ND2 3.1Å
39	L	43.4	Very low	52.1	Low	120 Å²	120	87.5 Å²	87.5	63%	0.628	53%	0.526	S	S	*	.	H	α-helix	trans	-73	-44	175.9	-127.5	96.1	0	0	0	110.3	C35 A36 N42 L43	C35-L39 VanDerWaalsContact O-CB 3.26Å; C35-L39 WeakPolarHBondContact O-CB 2.94Å; C35-L39 PolarHBondContact O-N 2.88Å; A36-L39 PolarHBondContact O-N 3.48Å; A36-L39 VanDerWaalsContact O-N 3.11Å; L39-N42 CarbonylContact O-C 3.57Å; L39-N42 PolarHBondContact O-N 3.27Å; L39-L43 VanDerWaalsContact O-CB 3.24Å; L39-L43 WeakPolarHBondContact O-CB 3.37Å; L39-L43 PolarHBondContact O-N 3.41Å
40	F	48.4	Very low	50.4	Low	161 Å²	161	89.3 Å²	89.3	71%	0.706	55%	0.547	S	S	*	.	H	α-helix	trans	-66.6	-37.7	174.4	-82.3	-76.1	0	0	0	111.2	A36 L43 G44	A36-F40 HydrophobicContact CB-CD2 4.44Å; A36-F40 WeakPolarHBondContact O-CB 3.4Å; A36-F40 WeakPolarHBondContact O-CD2 3.34Å; A36-F40 PolarHBondContact O-N 3Å; F40-L43 PolarHBondContact O-N 3.25Å; F40-G44 PolarHBondContact O-N 3.09Å
41	G	48.9	Very low	48.9	Very low	43 Å²	43	89.5 Å²	89.5	44%	0.443	56%	0.556	S	S	.	*	H	α-helix	trans	-61.5	-42.8	170	0	0	0	0	0	113.1	S37 H45	S37-G41 PolarHBondContact O-N 2.87Å; G41-H45 WeakPolarHBondContact O-CB 3.47Å; G41-H45 PolarHBondContact O-N 2.98Å
42	N	44.8	Very low	47.2	Very low	105 Å²	105	95.8 Å²	95.8	56%	0.561	58%	0.575	S	S	*	*	H	α-helix	trans	-77.7	-27.8	177.8	-79.4	-40.1	0	0	0	113.9	G38 L39 H45 K46	G38-N42 VanDerWaalsContact O-CB 3.28Å; G38-N42 WeakPolarHBondContact O-CB 3.36Å; G38-N42 PolarHBondContact O-N 3.35Å; G38-N42 PolarHBondContact O-ND2 3.04Å; G38-N42 VanDerWaalsContact O-ND2 3.1Å; L39-N42 CarbonylContact O-C 3.57Å; L39-N42 PolarHBondContact O-N 3.27Å; N42-H45 PolarHBondContact O-N 3.42Å; N42-K46 WeakPolarHBondContact O-CB 3.43Å; N42-K46 WeakPolarHBondContact O-CG 3.42Å; N42-K46 PolarHBondContact O-N 3.44Å
43	L	44.1	Very low	45.3	Very low	105 Å²	105	101.5 Å²	101.5	55%	0.55	59%	0.588	S	S	.	*	H	α-helix	trans	-73.3	-38.3	174.4	-147.7	74.2	0	0	0	110	L39 F40 H45 K46 T47	L39-L43 VanDerWaalsContact O-CB 3.24Å; L39-L43 WeakPolarHBondContact O-CB 3.37Å; L39-L43 PolarHBondContact O-N 3.41Å; F40-L43 PolarHBondContact O-N 3.25Å; L43-H45 VanDerWaalsContact C-N 3.33Å; L43-K46 PolarHBondContact O-N 3.5Å; L43-T47 PolarHBondContact O-N 3.14Å; L43-T47 PolarHBondContact O-OG1 3.47Å
44	G	44.9	Very low	43.9	Very low	39 Å²	39	103.9 Å²	103.9	40%	0.402	60%	0.602	S	S	.	*	H	α-helix	trans	-61.9	-37.5	167.4	0	0	0	0	0	112.8	F40 T47 A48	F40-G44 PolarHBondContact O-N 3.09Å; G44-T47 PolarHBondContact O-OG1 3.48Å; G44-A48 WeakPolarHBondContact O-CB 3.47Å; G44-A48 PolarHBondContact O-N 2.89Å
45	H	43.8	Very low	42.2	Very low	140 Å²	140	107.4 Å²	107.4	65%	0.648	61%	0.614	S	S	*	*	H	α-helix	trans	-73.2	-28.7	175.5	-129.7	-58.9	0	0	0	113.5	G41 N42 L43 S49	G41-H45 WeakPolarHBondContact O-CB 3.47Å; G41-H45 PolarHBondContact O-N 2.98Å; N42-H45 PolarHBondContact O-N 3.42Å; L43-H45 VanDerWaalsContact C-N 3.33Å; H45-S49 VanDerWaalsContact O-CB 3.3Å; H45-S49 WeakPolarHBondContact O-CB 3.3Å; H45-S49 PolarHBondContact O-N 3.44Å; H45-S49 VanDerWaalsContact O-N 3.08Å
46	K	37.7	Very low	41.3	Very low	155 Å²	155	108.8 Å²	108.8	67%	0.674	62%	0.622	S	S	*	*	H	α-helix	trans	-83.1	-33.5	177.5	-78.5	179.6	179.5	178.9	0	113.2	N42 L43 S49 A50	N42-K46 WeakPolarHBondContact O-CB 3.43Å; N42-K46 WeakPolarHBondContact O-CG 3.42Å; N42-K46 PolarHBondContact O-N 3.44Å; L43-K46 PolarHBondContact O-N 3.5Å; K46-S49 PolarHBondContact O-N 3.36Å; K46-A50 PolarHBondContact O-N 3.37Å; K46-A50 VanDerWaalsContact O-N 3.07Å
47	T	40.3	Very low	40.2	Very low	97 Å²	97	115 Å²	115	60%	0.595	65%	0.65	S	S	*	*	H	α-helix	trans	-70.9	-33.6	168.5	44.2	0	0	0	0	111.7	L43 G44 S49	L43-T47 PolarHBondContact O-N 3.14Å; L43-T47 PolarHBondContact O-OG1 3.47Å; G44-T47 PolarHBondContact O-OG1 3.48Å; T47-S49 VanDerWaalsContact C-N 3.31Å; T47-S49 PolarHBondContact O-N 2.9Å
48	A	39.3	Very low	39	Very low	61 Å²	61	116.9 Å²	116.9	50%	0.504	66%	0.658	S	S	.	*	H	α-helix	trans	-68.8	-26.2	169.7	0	0	0	0	0	113.6	G44	G44-A48 WeakPolarHBondContact O-CB 3.47Å; G44-A48 PolarHBondContact O-N 2.89Å
49	S	32.3	Very low	37.7	Very low	83 Å²	83	124.1 Å²	124.1	58%	0.58	68%	0.675	S	S	*	*	H	α-helix	trans	-85	-24.2	178	-164	0	0	0	0	113.2	H45 K46 T47 S51 K52	H45-S49 VanDerWaalsContact O-CB 3.3Å; H45-S49 WeakPolarHBondContact O-CB 3.3Å; H45-S49 PolarHBondContact O-N 3.44Å; H45-S49 VanDerWaalsContact O-N 3.08Å; K46-S49 PolarHBondContact O-N 3.36Å; T47-S49 VanDerWaalsContact C-N 3.31Å; T47-S49 PolarHBondContact O-N 2.9Å; S49-S51 VanDerWaalsContact C-N 3.31Å; S49-S51 PolarHBondContact O-N 3.29Å; S49-K52 PolarHBondContact O-N 3.16Å
50	A	33.5	Very low	37.4	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	69%	0.688	S	S	*	*	H	α-helix	trans	-72.9	-20.2	175.1	0	0	0	0	0	113.7	K46	K46-A50 PolarHBondContact O-N 3.37Å; K46-A50 VanDerWaalsContact O-N 3.07Å
51	S	32.6	Very low	37	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	15.2	175.9	-165	0	0	0	0	114.2	S49	S49-S51 VanDerWaalsContact C-N 3.31Å; S49-S51 PolarHBondContact O-N 3.29Å
52	K	33.5	Very low	36.3	Very low	181 Å²	181	135.1 Å²	135.1	79%	0.787	70%	0.701	S	S	*	*			trans	-122.5	84.5	172.8	-88.5	-179.4	176.3	175.7	0	110.6	S49	S49-K52 PolarHBondContact O-N 3.16Å
53	R	28.3	Very low	36.4	Very low	242 Å²	242	141 Å²	141	91%	0.913	72%	0.722	S	S	*	*			trans	-134.4	130.4	152.6	-102.5	-169.5	-99.4	-154.8	-2.4	109.4
54	V	33.9	Very low	36.1	Very low	133 Å²	133	142 Å²	142	81%	0.806	73%	0.727	S	S	*	*	S	Bend	trans	94.9	81.2	172.5	-165.5	0	0	0	0	116.4
55	L	29.4	Very low	36.1	Very low	162 Å²	162	149.5 Å²	149.5	85%	0.848	75%	0.754	S	S	*	*				-179.5	143	112.3	-97.3	138.9	0	0	0	109.8
56	P	32.9	Very low	35.6	Very low	110 Å²	110	146.3 Å²	146.3	71%	0.714	75%	0.752	S	S	*	*			trans	-85.3	151.6	-159.5	33	-31.3	0	0	0	114.6	T58	P56-T58 PolarHBondContact O-N 3.48Å
57	D	35.9	Very low	35.7	Very low	168 Å²	168	144.8 Å²	144.8	90%	0.898	76%	0.758	S	S	*	*			trans	-57.4	117.3	179.1	-71.9	-58.3	0	0	0	113.9
58	T	32.8	Very low	35.5	Very low	118 Å²	118	145.6 Å²	145.6	72%	0.724	76%	0.762	S	S	*	*			trans	-145.3	149.4	145	1.4	0	0	0	0	106	P56	P56-T58 PolarHBondContact O-N 3.48Å
59	W	31.3	Very low	35.7	Very low	187 Å²	187	151.1 Å²	151.1	71%	0.708	78%	0.783	S	S	*	*			trans	91.5	55.2	178.2	-49.4	91.4	0	0	0	117.3	R62	W59-R62 VanDerWaalsContact CZ3-NH2 3.25Å
60	R	37.6	Very low	35.9	Very low	236 Å²	236	149.1 Å²	149.1	89%	0.891	78%	0.776	S	S	*	*			trans	-72.8	136.8	137.8	-94	-176.8	171.3	-156.2	-2.4	108.5
61	N	39.3	Very low	36.1	Very low	144 Å²	144	151.2 Å²	151.2	77%	0.77	78%	0.78	S	S	*	*	S	Bend	trans	78.2	82.2	172.6	-50.4	-22.4	0	0	0	115.7
62	R	33.9	Very low	36.5	Very low	175 Å²	175	155 Å²	155	66%	0.66	79%	0.786	S	S	*	*			trans	-168.5	92.9	142.2	-105.5	175.2	-100.1	-166.8	4.7	109.6	W59 L64	W59-R62 VanDerWaalsContact CZ3-NH2 3.25Å; R62-L64 HydrophobicContact CB-CD1 4.12Å; R62-L64 HydrophobicContact CB-CG 4.48Å; R62-L64 HydrophobicContact CG-CD1 3.92Å; R62-L64 HydrophobicContact CG-CG 4.38Å; R62-L64 PolarHBondContact O-N 3.05Å
63	K	48.2	Very low	37	Very low	227 Å²	227	151.8 Å²	151.8	99%	0.987	78%	0.781	S	S	*	*			trans	-68.5	90.9	152.9	-98.6	-177.1	175.7	179.7	0	105.7
64	L	36.3	Very low	38	Very low	128 Å²	128	144.2 Å²	144.2	67%	0.67	77%	0.771	S	S	*	*			trans	-101.5	129.9	166.2	-92.3	157	0	0	0	106.9	R62 A66	R62-L64 HydrophobicContact CB-CD1 4.12Å; R62-L64 HydrophobicContact CB-CG 4.48Å; R62-L64 HydrophobicContact CG-CD1 3.92Å; R62-L64 HydrophobicContact CG-CG 4.38Å; R62-L64 PolarHBondContact O-N 3.05Å; L64-A66 PolarHBondContact O-N 2.93Å
65	M	46.3	Very low	39.2	Very low	195 Å²	195	144.3 Å²	144.3	96%	0.961	76%	0.76	S	S	*	*			trans	-48.6	108.3	164.8	-71.5	-172.6	166.4	0	0	108.6
66	A	31.6	Very low	41.4	Very low	73 Å²	73	142.8 Å²	142.8	60%	0.603	75%	0.753	S	S	*	*			trans	-98.6	121.1	166.9	0	0	0	0	0	106.9	L64 V68	L64-A66 PolarHBondContact O-N 2.93Å; A66-V68 VanDerWaalsContact C-N 3.34Å; A66-V68 HydrophobicContact CB-CG2 4.34Å; A66-V68 PolarHBondContact O-N 3Å; A66-V68 VanDerWaalsContact O-N 3.09Å
67	P	40.1	Very low	43.4	Very low	124 Å²	124	138.8 Å²	138.8	81%	0.805	73%	0.727	S	S	*	*			trans	-70.1	103.4	157.7	30.2	-24.9	0	0	0	105	N69	P67-N69 PolarHBondContact O-N 3.43Å
68	V	36.9	Very low	45.4	Very low	113 Å²	113	133.1 Å²	133.1	69%	0.685	70%	0.699	S	S	*	*			trans	-73.6	90	173.8	179.1	0	0	0	0	106.6	A66 G70	A66-V68 VanDerWaalsContact C-N 3.34Å; A66-V68 HydrophobicContact CB-CG2 4.34Å; A66-V68 PolarHBondContact O-N 3Å; A66-V68 VanDerWaalsContact O-N 3.09Å; V68-G70 PolarHBondContact O-N 2.94Å
69	N	43.2	Very low	47.6	Very low	177 Å²	177	132.2 Å²	132.2	95%	0.947	69%	0.689	S	S	*	*			trans	-65.2	85.9	149.7	-101.2	-2.8	0	0	0	106.8	P67	P67-N69 PolarHBondContact O-N 3.43Å
70	G	36	Very low	49.9	Very low	42 Å²	42	123.6 Å²	123.6	43%	0.433	66%	0.658	S	S	.	*	S	Bend	trans	-166.9	106.9	174.9	0	0	0	0	0	103.7	V68 Q72	V68-G70 PolarHBondContact O-N 2.94Å; G70-Q72 VanDerWaalsContact C-N 3.28Å; G70-Q72 PolarHBondContact O-N 3.41Å
71	T	37.4	Very low	52	Low	133 Å²	133	112.6 Å²	112.6	82%	0.816	62%	0.617	S	S	*	*			trans	-47.6	88.9	174.1	44.7	0	0	0	0	110.6	T73	T71-T73 PolarHBondContact O-N 3.39Å
72	Q	41.2	Very low	54.1	Low	188 Å²	188	106.6 Å²	106.6	88%	0.879	59%	0.585	S	S	*	*			trans	-70.1	83.2	144.6	-78.9	-175.4	-7	0	0	104.3	G70 A74	G70-Q72 VanDerWaalsContact C-N 3.28Å; G70-Q72 PolarHBondContact O-N 3.41Å; Q72-A74 PolarHBondContact O-N 3.46Å
73	T	43.6	Very low	56.3	Low	112 Å²	112	104.1 Å²	104.1	69%	0.687	58%	0.581	S	S	*	*			trans	-47.6	116.4	157.5	37.7	0	0	0	0	105.6	T71 K75	T71-T73 PolarHBondContact O-N 3.39Å; T73-K75 PolarHBondContact O-N 3.15Å
74	A	49.7	Very low	58	Low	84 Å²	84	98.5 Å²	98.5	69%	0.694	56%	0.558	S	S	*	*			trans	-48.2	112.4	168.7	0	0	0	0	0	106.3	Q72 N76	Q72-A74 PolarHBondContact O-N 3.46Å; A74-N76 PolarHBondContact O-N 3.48Å
75	K	59	Low	60.4	Low	135 Å²	135	92.9 Å²	92.9	59%	0.587	53%	0.528	S	S	*	.			trans	-59.6	124.3	177.3	-75.7	-177.7	172.9	-174.1	0	106.3	T73 C77 D79	T73-K75 PolarHBondContact O-N 3.15Å; K75-C77 PolarHBondContact O-N 3.04Å; K75-D79 IonicContact NZ-OD1 2.7Å; K75-D79 PolarHBondContact NZ-OD1 2.59Å; K75-D79 IonicContact NZ-OD2 2.7Å
76	N	76.5	Confident	62.3	Low	130 Å²	130	86.9 Å²	86.9	70%	0.695	50%	0.504	S	S	*	.	S	Bend	trans	-78.8	25.7	176.3	-75.8	-25.2	0	0	0	111.8	A74 L615 P616	A74-N76 PolarHBondContact O-N 3.48Å; N76-L615 WeakPolarHBondContact O-CD2 3.42Å; N76-P616 WeakPolarHBondContact O-CD 3.09Å
77	C	75	Confident	64.6	Low	26 Å²	26	88.3 Å²	88.3	18%	0.176	52%	0.515	C	S	.	.	S	Bend	trans	-145.8	152.2	-176	65.3	0	0	0	0	111.2	K75 P616 C618	K75-C77 PolarHBondContact O-N 3.04Å; C77-P616 CarbonylContact C-O 3.58Å; C77-P616 WeakPolarHBondContact CA-O 3.06Å; C77-P616 WeakPolarHBondContact CB-O 3.44Å; C77-C618 HydrophobicContact CB-CB 3.93Å; C77-C618 WeakPolarHBondContact CB-SG 3.42Å; C77-C618 WeakPolarHBondContact SG-CB 3.43Å; C77-C618 CovalentContact SG-SG 2.03Å; C77-C618 PolarHBondContact SG-SG 2.97Å
78	T	76.4	Confident	66.7	Low	48 Å²	48	84 Å²	84	29%	0.294	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-92.6	131.2	176	-51.7	0	0	0	0	109.4	P616 M617 C618	T78-P616 PolarHBondContact N-O 3.03Å; T78-M617 WeakPolarHBondContact O-CA 3.46Å; T78-C618 PolarHBondContact O-N 3.46Å
79	D	79.9	Confident	68.8	Low	99 Å²	99	86 Å²	86	53%	0.529	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-67.2	135.6	176.9	-65.6	-60.3	0	0	0	110.2	K75	K75-D79 IonicContact NZ-OD1 2.7Å; K75-D79 PolarHBondContact NZ-OD1 2.59Å; K75-D79 IonicContact NZ-OD2 2.7Å
80	P	80.1	Confident	70.8	Confident	6 Å²	6	80.6 Å²	80.6	4%	0.039	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-75.4	145.6	-176	30.1	-36.1	0	0	0	112.8	I82 H83 Y480 M617	P80-I82 HydrophobicContact CB-CG2 3.96Å; P80-I82 HydrophobicContact CG-CG2 3.92Å; P80-I82 PolarHBondContact O-N 3.38Å; P80-H83 PolarHBondContact O-N 3.23Å; P80-Y480 HydrophobicContact CB-CD2 3.7Å; P80-Y480 HydrophobicContact CB-CE2 3.92Å; P80-Y480 HydrophobicContact CG-CD2 4.04Å; P80-Y480 HydrophobicContact CG-CE2 3.73Å; P80-M617 HydrophobicContact CB-CE 4.31Å; P80-M617 HydrophobicContact CB-CG 3.8Å; P80-M617 HydrophobicContact CB-SD 3.73Å; P80-M617 HydrophobicContact CG-CG 4.48Å
81	A	81	Confident	73.1	Confident	6 Å²	6	81.3 Å²	81.3	5%	0.05	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-63.6	-15.7	179.9	0	0	0	0	0	114.2	H83 E84 F85 T164 T476 D486	A81-H83 PolarHBondContact O-N 3.37Å; A81-E84 PolarHBondContact O-N 3.44Å; A81-F85 WeakPolarHBondContact O-CD2 3.48Å; A81-T164 HydrophobicContact CB-CG2 4.14Å; A81-T476 HydrophobicContact CB-CG2 4.36Å; A81-D486 VanDerWaalsContact CB-OD2 3.26Å; A81-D486 WeakPolarHBondContact CB-OD2 3.24Å; A81-D486 PolarHBondContact N-OD2 2.67Å
82	I	83.3	Confident	75.2	Confident	18 Å²	18	76 Å²	76	9%	0.092	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-60.7	-29.2	-179.7	-164.5	173.1	0	0	0	113.3	P80 E84 F85 R95 I477 Y480	P80-I82 HydrophobicContact CB-CG2 3.96Å; P80-I82 HydrophobicContact CG-CG2 3.92Å; P80-I82 PolarHBondContact O-N 3.38Å; I82-E84 VanDerWaalsContact C-N 3.28Å; I82-E84 PolarHBondContact O-N 3.14Å; I82-F85 PolarHBondContact O-N 3.04Å; I82-R95 VanDerWaalsContact CD1-NH1 3.3Å; I82-I477 HydrophobicContact CD1-CB 4.5Å; I82-I477 HydrophobicContact CD1-CG1 3.99Å; I82-I477 HydrophobicContact CG1-CG1 4.24Å; I82-Y480 HydrophobicContact CB-CG 4.45Å; I82-Y480 HydrophobicContact CD1-CD1 3.71Å; I82-Y480 HydrophobicContact CD1-CE1 4.46Å; I82-Y480 HydrophobicContact CD1-CG 4.01Å; I82-Y480 HydrophobicContact CG2-CD1 4.3Å; I82-Y480 HydrophobicContact CG2-CD2 3.99Å; I82-Y480 HydrophobicContact CG2-CE2 4.3Å; I82-Y480 HydrophobicContact CG2-CG 4Å
83	H	80.9	Confident	77.1	Confident	123 Å²	123	74.6 Å²	74.6	57%	0.569	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-73.7	-18.6	-178.6	-66.3	-50.3	0	0	0	113.7	P80 A81 F85	P80-H83 PolarHBondContact O-N 3.23Å; A81-H83 PolarHBondContact O-N 3.37Å; H83-F85 VanDerWaalsContact C-N 3.29Å
84	E	84.4	Confident	79.1	Confident	108 Å²	108	74.1 Å²	74.1	51%	0.505	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-79.4	-15.7	174.1	-64.1	-66.4	173.2	0	0	112.2	A81 I82 I163	A81-E84 PolarHBondContact O-N 3.44Å; I82-E84 VanDerWaalsContact C-N 3.28Å; I82-E84 PolarHBondContact O-N 3.14Å; E84-I163 WeakPolarHBondContact CB-O 3.33Å
85	F	86.3	Confident	80.8	Confident	11 Å²	11	71 Å²	71	5%	0.048	38%	0.376	C	S	.	.	S	Bend	trans	-94	157.4	176.8	-71.6	-74.2	0	0	0	112.2	A81 I82 H83 I159 I163 T164 Y469 V472 W473 T476	A81-F85 WeakPolarHBondContact O-CD2 3.48Å; I82-F85 PolarHBondContact O-N 3.04Å; H83-F85 VanDerWaalsContact C-N 3.29Å; F85-I159 HydrophobicContact CZ-CG2 4.32Å; F85-I163 HydrophobicContact CD1-CG2 4.43Å; F85-I163 HydrophobicContact CE1-CG2 4.11Å; F85-I163 HydrophobicContact CZ-CG2 4.48Å; F85-T164 HydrophobicContact CD2-CG2 4.39Å; F85-T164 HydrophobicContact CE2-CG2 3.33Å; F85-T164 HydrophobicContact CZ-CG2 3.45Å; F85-T164 VanDerWaalsContact CZ-CG2 3.45Å; F85-Y469 AromaticContact CD1-CE2 3.91Å; F85-Y469 HydrophobicContact CD1-CE2 3.91Å; F85-Y469 AromaticContact CD1-CZ 3.98Å; F85-Y469 HydrophobicContact CE1-CD2 4.18Å; F85-Y469 AromaticContact CE1-CE2 3.65Å; F85-Y469 HydrophobicContact CE1-CE2 3.65Å; F85-V472 HydrophobicContact CZ-CB 4.5Å; F85-V472 HydrophobicContact CZ-CG1 3.95Å; F85-W473 HydrophobicContact CB-CG 4.12Å; F85-W473 HydrophobicContact CD1-CB 3.72Å; F85-W473 AromaticContact CD1-CD1 3.63Å; F85-W473 AromaticContact CD1-CG 3.76Å; F85-W473 HydrophobicContact CD1-CG 3.76Å; F85-W473 AromaticContact CD2-CD1 3.89Å; F85-W473 HydrophobicContact CE1-CB 3.78Å; F85-W473 HydrophobicContact CE1-CG 4.33Å; F85-W473 HydrophobicContact CG-CB 4.21Å; F85-W473 AromaticContact CG-CD1 3.31Å; F85-W473 AromaticContact CG-CG 3.94Å; F85-W473 HydrophobicContact CG-CG 3.94Å; F85-W473 HydrophobicContact CZ-CB 4.3Å; F85-T476 HydrophobicContact CE2-CG2 4.04Å; F85-T476 WeakPolarHBondContact CE2-OG1 3.46Å
86	P	86.2	Confident	82	Confident	68 Å²	68	70.3 Å²	70.3	44%	0.442	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-57.4	147	173.5	23.3	-33.3	0	0	0	111.6	D88 Y469 W473	P86-D88 PolarHBondContact O-N 3.41Å; P86-Y469 VanDerWaalsContact CD-OH 3.27Å; P86-Y469 WeakPolarHBondContact CD-OH 3.13Å; P86-W473 HydrophobicContact CG-CH2 4.24Å; P86-W473 HydrophobicContact CG-CZ2 3.9Å; P86-W473 WeakPolarHBondContact O-CZ2 3.5Å; P86-W473 PolarHBondContact O-NE1 3.07Å
87	A	80.5	Confident	82.4	Confident	103 Å²	103	72 Å²	72	85%	0.851	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-58.6	126	177.6	0	0	0	0	0	110.5
88	D	83.8	Confident	82.8	Confident	35 Å²	35	72.9 Å²	72.9	19%	0.187	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-74.2	157.5	176.6	162.6	57.8	0	0	0	111.6	P86 F90 R95 H103 W473 I477	P86-D88 PolarHBondContact O-N 3.41Å; D88-F90 PolarHBondContact O-N 3.34Å; D88-F90 PolarHBondContact OD2-N 3.42Å; D88-R95 VanDerWaalsContact CB-NH2 3.32Å; D88-R95 IonicContact OD2-CZ 3.99Å; D88-R95 IonicContact OD2-NE 4Å; D88-R95 PolarHBondContact OD2-NE 2.83Å; D88-R95 IonicContact OD2-NH2 3.24Å; D88-R95 PolarHBondContact OD2-NH2 3Å; D88-H103 IonicContact OD1-CE1 3.38Å; D88-H103 IonicContact OD1-NE2 3.23Å; D88-H103 PolarHBondContact OD1-NE2 3.29Å; D88-H103 IonicContact OD2-CE1 3.33Å; D88-H103 IonicContact OD2-NE2 3.18Å; D88-H103 PolarHBondContact OD2-NE2 3.08Å; D88-W473 HydrophobicContact CB-CZ2 4.26Å; D88-I477 HydrophobicContact CB-CD1 3.91Å
89	L	81.4	Confident	83.3	Confident	154 Å²	154	71.2 Å²	71.2	81%	0.806	38%	0.383	S	S	*	.	S	Bend	trans	-63.6	-30.1	-176.3	-170.1	71.8	0	0	0	112.4
90	F	84.9	Confident	83.7	Confident	64 Å²	64	67.3 Å²	67.3	28%	0.281	36%	0.363	S	S	.	.	S	Bend	trans	-102.4	141.5	-178.6	-59	-77.6	0	0	0	111.2	D88 E94 R95 A99 L102 H103	D88-F90 PolarHBondContact O-N 3.34Å; D88-F90 PolarHBondContact OD2-N 3.42Å; F90-E94 HydrophobicContact CB-CB 4.3Å; F90-E94 HydrophobicContact CD1-CB 4.5Å; F90-R95 HydrophobicContact CB-CG 3.95Å; F90-R95 PolarHBondContact O-NE 2.93Å; F90-R95 PolarHBondContact O-NH2 3.38Å; F90-A99 HydrophobicContact CB-CB 4.39Å; F90-A99 HydrophobicContact CD1-CB 4.02Å; F90-A99 HydrophobicContact CD2-CB 4.34Å; F90-A99 HydrophobicContact CE1-CB 4.39Å; F90-A99 HydrophobicContact CG-CB 3.98Å; F90-L102 HydrophobicContact CE2-CD1 4.34Å; F90-L102 HydrophobicContact CZ-CD1 4.08Å; F90-H103 AromaticContact CD2-CE1 3.78Å
91	S	83.4	Confident	84.2	Confident	56 Å²	56	72.3 Å²	72.3	39%	0.392	39%	0.389	S	S	.	.			trans	-70.7	158.5	170.2	64.4	0	0	0	0	111.7	K93 E94 R95	S91-K93 PolarHBondContact O-N 3.4Å; S91-E94 WeakPolarHBondContact CB-OE2 3.42Å; S91-E94 PolarHBondContact N-OE2 3.28Å; S91-E94 PolarHBondContact O-N 2.79Å; S91-E94 VanDerWaalsContact OG-CD 3.29Å; S91-E94 VanDerWaalsContact OG-CG 3.31Å; S91-E94 WeakPolarHBondContact OG-CG 3.32Å; S91-E94 PolarHBondContact OG-N 3.19Å; S91-E94 PolarHBondContact OG-OE2 3.49Å; S91-R95 WeakPolarHBondContact O-CG 3.18Å; S91-R95 PolarHBondContact O-N 3.22Å
92	N	81.1	Confident	84.6	Confident	21 Å²	21	77 Å²	77	11%	0.112	41%	0.412	C	S	.	.	H	α-helix	trans	-53.9	-39.7	176.9	-168.9	-8	0	0	0	112.2	R95 Q96 Y480 E620	N92-R95 WeakPolarHBondContact O-CB 3.34Å; N92-R95 PolarHBondContact O-N 2.66Å; N92-Q96 WeakPolarHBondContact O-CG 3.42Å; N92-Q96 PolarHBondContact O-N 3.34Å; N92-Q96 PolarHBondContact OD1-NE2 3.09Å; N92-Y480 VanDerWaalsContact ND2-CE1 3.31Å; N92-Y480 WeakPolarHBondContact ND2-CE1 3.45Å; N92-E620 VanDerWaalsContact CB-OE2 3.31Å; N92-E620 WeakPolarHBondContact CB-OE2 3.45Å; N92-E620 PolarHBondContact ND2-OE2 3.13Å
93	K	81	Confident	84.9	Confident	160 Å²	160	76.6 Å²	76.6	70%	0.696	41%	0.41	S	S	*	.	H	α-helix	trans	-62.1	-47.2	175.4	-67.5	-178.1	-179.9	176.4	0	111.8	S91 R95 Q96 H97	S91-K93 PolarHBondContact O-N 3.4Å; K93-R95 VanDerWaalsContact C-N 3.29Å; K93-R95 PolarHBondContact O-N 3.21Å; K93-Q96 PolarHBondContact O-N 3.49Å; K93-H97 PolarHBondContact O-N 3.16Å; K93-H97 VanDerWaalsContact O-N 3.08Å; K93-H97 PolarHBondContact O-ND1 3.25Å
94	E	85.4	Confident	85.4	Confident	102 Å²	102	73.8 Å²	73.8	48%	0.477	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-34.9	178.6	-71.1	163.7	145.5	0	0	112.3	F90 S91 H97 G98 A99	F90-E94 HydrophobicContact CB-CB 4.3Å; F90-E94 HydrophobicContact CD1-CB 4.5Å; S91-E94 WeakPolarHBondContact CB-OE2 3.42Å; S91-E94 PolarHBondContact N-OE2 3.28Å; S91-E94 PolarHBondContact O-N 2.79Å; S91-E94 VanDerWaalsContact OG-CD 3.29Å; S91-E94 VanDerWaalsContact OG-CG 3.31Å; S91-E94 WeakPolarHBondContact OG-CG 3.32Å; S91-E94 PolarHBondContact OG-N 3.19Å; S91-E94 PolarHBondContact OG-OE2 3.49Å; E94-H97 PolarHBondContact O-N 2.98Å; E94-G98 PolarHBondContact O-N 2.9Å; E94-A99 WeakPolarHBondContact O-CB 3.41Å; E94-A99 PolarHBondContact O-N 3.46Å; E94-A99 VanDerWaalsContact O-N 3.17Å
95	R	86.8	Confident	85.7	Confident	19 Å²	19	73.3 Å²	73.3	7%	0.072	40%	0.399	C	S	.	.	I	π-helix	trans	-59.7	-52	172.3	-68.1	-174.2	-152.7	142.2	16	110.8	I82 D88 F90 S91 N92 K93 H97 G98 A99 V100 T481	I82-R95 VanDerWaalsContact CD1-NH1 3.3Å; D88-R95 VanDerWaalsContact CB-NH2 3.32Å; D88-R95 IonicContact OD2-CZ 3.99Å; D88-R95 IonicContact OD2-NE 4Å; D88-R95 PolarHBondContact OD2-NE 2.83Å; D88-R95 IonicContact OD2-NH2 3.24Å; D88-R95 PolarHBondContact OD2-NH2 3Å; F90-R95 HydrophobicContact CB-CG 3.95Å; F90-R95 PolarHBondContact O-NE 2.93Å; F90-R95 PolarHBondContact O-NH2 3.38Å; S91-R95 WeakPolarHBondContact O-CG 3.18Å; S91-R95 PolarHBondContact O-N 3.22Å; N92-R95 WeakPolarHBondContact O-CB 3.34Å; N92-R95 PolarHBondContact O-N 2.66Å; K93-R95 VanDerWaalsContact C-N 3.29Å; K93-R95 PolarHBondContact O-N 3.21Å; R95-H97 PolarHBondContact O-N 3.48Å; R95-G98 PolarHBondContact O-N 3.4Å; R95-A99 PolarHBondContact O-N 3.23Å; R95-V100 HydrophobicContact CB-CG2 3.78Å; R95-V100 VanDerWaalsContact O-CG2 3.27Å; R95-V100 WeakPolarHBondContact O-CG2 3.37Å; R95-V100 PolarHBondContact O-N 2.97Å; R95-T481 HydrophobicContact CB-CG2 3.6Å; R95-T481 VanDerWaalsContact CD-CG2 3.41Å; R95-T481 HydrophobicContact CG-CG2 4.15Å
96	Q	83.6	Confident	86	Confident	119 Å²	119	73.8 Å²	73.8	56%	0.556	41%	0.407	S	S	*	.	I	π-helix	trans	-59.8	-30.1	177.7	-69.2	176.1	4.5	0	0	113.3	N92 K93 G98	N92-Q96 WeakPolarHBondContact O-CG 3.42Å; N92-Q96 PolarHBondContact O-N 3.34Å; N92-Q96 PolarHBondContact OD1-NE2 3.09Å; K93-Q96 PolarHBondContact O-N 3.49Å; Q96-G98 PolarHBondContact O-N 3.45Å
97	H	84.8	Confident	86.2	Confident	165 Å²	165	70.8 Å²	70.8	76%	0.764	39%	0.388	S	S	*	.	I	π-helix	trans	-82.1	8.6	176.6	-70.4	83.5	0	0	0	114.3	K93 E94 R95	K93-H97 PolarHBondContact O-N 3.16Å; K93-H97 VanDerWaalsContact O-N 3.08Å; K93-H97 PolarHBondContact O-ND1 3.25Å; E94-H97 PolarHBondContact O-N 2.98Å; R95-H97 PolarHBondContact O-N 3.48Å
98	G	83.7	Confident	86.7	Confident	45 Å²	45	70.9 Å²	70.9	46%	0.464	37%	0.374	S	S	.	.	I	π-helix	trans	125.6	-9.8	169.5	0	0	0	0	0	115.2	E94 R95 Q96 V100 L101	E94-G98 PolarHBondContact O-N 2.9Å; R95-G98 PolarHBondContact O-N 3.4Å; Q96-G98 PolarHBondContact O-N 3.45Å; G98-V100 PolarHBondContact O-N 3.34Å; G98-V100 VanDerWaalsContact O-N 3.15Å; G98-L101 WeakPolarHBondContact O-CB 3.24Å; G98-L101 PolarHBondContact O-N 2.95Å; G98-L101 VanDerWaalsContact O-N 3.11Å
99	A	87.2	Confident	87	Confident	14 Å²	14	71.8 Å²	71.8	12%	0.116	38%	0.375	C	S	.	.	I	π-helix	trans	-67.6	-12.1	177.1	0	0	0	0	0	113.2	F90 E94 R95 L101 L102 H103	F90-A99 HydrophobicContact CB-CB 4.39Å; F90-A99 HydrophobicContact CD1-CB 4.02Å; F90-A99 HydrophobicContact CD2-CB 4.34Å; F90-A99 HydrophobicContact CE1-CB 4.39Å; F90-A99 HydrophobicContact CG-CB 3.98Å; E94-A99 WeakPolarHBondContact O-CB 3.41Å; E94-A99 PolarHBondContact O-N 3.46Å; E94-A99 VanDerWaalsContact O-N 3.17Å; R95-A99 PolarHBondContact O-N 3.23Å; A99-L101 PolarHBondContact O-N 3.27Å; A99-L102 PolarHBondContact O-N 2.88Å; A99-H103 PolarHBondContact O-ND1 3.21Å
100	V	88.8	Confident	87.5	Confident	17 Å²	17	65.2 Å²	65.2	10%	0.103	34%	0.34	C	S	.	.	H	α-helix	trans	-58.5	-32.7	168.7	173.3	0	0	0	0	112	R95 G98 L102 H103 I104 T481	R95-V100 HydrophobicContact CB-CG2 3.78Å; R95-V100 VanDerWaalsContact O-CG2 3.27Å; R95-V100 WeakPolarHBondContact O-CG2 3.37Å; R95-V100 PolarHBondContact O-N 2.97Å; G98-V100 PolarHBondContact O-N 3.34Å; G98-V100 VanDerWaalsContact O-N 3.15Å; V100-L102 VanDerWaalsContact C-N 3.25Å; V100-L102 PolarHBondContact O-N 3.24Å; V100-H103 WeakPolarHBondContact O-CB 3.16Å; V100-H103 PolarHBondContact O-N 3.46Å; V100-I104 HydrophobicContact CG1-CD1 3.91Å; V100-I104 HydrophobicContact CG1-CG1 4.17Å; V100-I104 WeakPolarHBondContact O-CG1 3.1Å; V100-I104 PolarHBondContact O-N 3.22Å; V100-T481 HydrophobicContact CG2-CG2 3.83Å; V100-T481 WeakPolarHBondContact CG2-OG1 3.25Å
101	L	89.1	Confident	87.7	Confident	111 Å²	111	63.4 Å²	63.4	58%	0.581	33%	0.332	S	S	*	.	H	α-helix	trans	-62	-35.3	180	-173.6	65.6	0	0	0	112	G98 A99 H103 I104 L105	G98-L101 WeakPolarHBondContact O-CB 3.24Å; G98-L101 PolarHBondContact O-N 2.95Å; G98-L101 VanDerWaalsContact O-N 3.11Å; A99-L101 PolarHBondContact O-N 3.27Å; L101-H103 VanDerWaalsContact C-N 3.33Å; L101-I104 PolarHBondContact O-N 2.85Å; L101-L105 HydrophobicContact CG-CD1 4.48Å; L101-L105 WeakPolarHBondContact O-CG 3.5Å; L101-L105 PolarHBondContact O-N 3.08Å
102	L	89.8	Confident	87.9	Confident	104 Å²	104	66.1 Å²	66.1	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-65.7	-37.6	175.1	-66.4	175.7	0	0	0	111.6	F90 A99 V100 L105 G106	F90-L102 HydrophobicContact CE2-CD1 4.34Å; F90-L102 HydrophobicContact CZ-CD1 4.08Å; A99-L102 PolarHBondContact O-N 2.88Å; V100-L102 VanDerWaalsContact C-N 3.25Å; V100-L102 PolarHBondContact O-N 3.24Å; L102-L105 PolarHBondContact O-N 3.27Å; L102-G106 PolarHBondContact O-N 3.2Å
103	H	90.3	Very high	88.3	Confident	9 Å²	9	65.1 Å²	65.1	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-40.5	175.3	-66.3	80.7	0	0	0	111.5	D88 F90 A99 V100 L101 G106 A107 I478	D88-H103 IonicContact OD1-CE1 3.38Å; D88-H103 IonicContact OD1-NE2 3.23Å; D88-H103 PolarHBondContact OD1-NE2 3.29Å; D88-H103 IonicContact OD2-CE1 3.33Å; D88-H103 IonicContact OD2-NE2 3.18Å; D88-H103 PolarHBondContact OD2-NE2 3.08Å; F90-H103 AromaticContact CD2-CE1 3.78Å; A99-H103 PolarHBondContact O-ND1 3.21Å; V100-H103 WeakPolarHBondContact O-CB 3.16Å; V100-H103 PolarHBondContact O-N 3.46Å; L101-H103 VanDerWaalsContact C-N 3.33Å; H103-G106 PolarHBondContact O-N 3.38Å; H103-A107 WeakPolarHBondContact O-CB 3.18Å; H103-A107 PolarHBondContact O-N 3.5Å; H103-I478 HydrophobicContact CB-CD1 4.23Å; H103-I478 HydrophobicContact CB-CG1 3.83Å
104	I	90.8	Very high	88.7	Confident	65 Å²	65	57.7 Å²	57.7	33%	0.333	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-47.7	175.3	-66.6	170	0	0	0	110.5	V100 L101 G106 A107 L108 I478	V100-I104 HydrophobicContact CG1-CD1 3.91Å; V100-I104 HydrophobicContact CG1-CG1 4.17Å; V100-I104 WeakPolarHBondContact O-CG1 3.1Å; V100-I104 PolarHBondContact O-N 3.22Å; L101-I104 PolarHBondContact O-N 2.85Å; I104-G106 VanDerWaalsContact C-N 3.31Å; I104-G106 PolarHBondContact O-N 3.34Å; I104-A107 PolarHBondContact O-N 3.05Å; I104-L108 HydrophobicContact CG2-CD1 4.24Å; I104-L108 WeakPolarHBondContact O-CG 3.17Å; I104-L108 PolarHBondContact O-N 3.47Å; I104-I478 HydrophobicContact CB-CD1 4.41Å; I104-I478 HydrophobicContact CG1-CD1 3.81Å; I104-I478 HydrophobicContact CG1-CG1 4.08Å; I104-I478 HydrophobicContact CG1-CG2 4.32Å
105	L	91.1	Very high	88.7	Confident	97 Å²	97	53.9 Å²	53.9	51%	0.508	28%	0.283	S	S	.	.	H	α-helix	trans	-62.9	-39.3	176.6	-70	174.5	0	0	0	111.7	L101 L102 Y109	L101-L105 HydrophobicContact CG-CD1 4.48Å; L101-L105 WeakPolarHBondContact O-CG 3.5Å; L101-L105 PolarHBondContact O-N 3.08Å; L102-L105 PolarHBondContact O-N 3.27Å; L105-Y109 WeakPolarHBondContact O-CB 3.41Å; L105-Y109 PolarHBondContact O-N 3.29Å
106	G	91.6	Very high	88.6	Confident	22 Å²	22	53.5 Å²	53.5	23%	0.227	28%	0.282	C	S	.	.	H	α-helix	trans	-59.9	-48.7	172.7	0	0	0	0	0	112	L102 H103 I104 L108 Y109 M110	L102-G106 PolarHBondContact O-N 3.2Å; H103-G106 PolarHBondContact O-N 3.38Å; I104-G106 VanDerWaalsContact C-N 3.31Å; I104-G106 PolarHBondContact O-N 3.34Å; G106-L108 PolarHBondContact O-N 3.34Å; G106-Y109 WeakPolarHBondContact O-CB 3.36Å; G106-Y109 PolarHBondContact O-N 3Å; G106-M110 VanDerWaalsContact O-CG 3.32Å; G106-M110 WeakPolarHBondContact O-CG 3.09Å; G106-M110 PolarHBondContact O-N 2.75Å
107	A	91.2	Very high	88.9	Confident	5 Å²	5	47.8 Å²	47.8	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-46.5	179.3	0	0	0	0	0	111.4	H103 I104 Y109 M110 F111 L474 V475 I478	H103-A107 WeakPolarHBondContact O-CB 3.18Å; H103-A107 PolarHBondContact O-N 3.5Å; I104-A107 PolarHBondContact O-N 3.05Å; A107-Y109 VanDerWaalsContact C-N 3.3Å; A107-Y109 PolarHBondContact O-N 2.98Å; A107-M110 PolarHBondContact O-N 3.22Å; A107-M110 VanDerWaalsContact O-N 3.13Å; A107-F111 WeakPolarHBondContact O-CD2 3.18Å; A107-F111 PolarHBondContact O-N 2.92Å; A107-L474 HydrophobicContact CB-CB 4.16Å; A107-V475 HydrophobicContact CB-CG2 4.1Å; A107-I478 HydrophobicContact CB-CD1 4.05Å
108	L	90.2	Very high	89	Confident	105 Å²	105	40.2 Å²	40.2	55%	0.55	22%	0.221	S	C	.	.	H	α-helix	trans	-60.1	-39.2	175.3	-69.7	175	0	0	0	112.5	I104 G106 F111 Y112	I104-L108 HydrophobicContact CG2-CD1 4.24Å; I104-L108 WeakPolarHBondContact O-CG 3.17Å; I104-L108 PolarHBondContact O-N 3.47Å; G106-L108 PolarHBondContact O-N 3.34Å; L108-F111 PolarHBondContact O-N 2.87Å; L108-Y112 WeakPolarHBondContact O-CB 3.31Å; L108-Y112 PolarHBondContact O-N 3.34Å
109	Y	90.6	Very high	89	Confident	53 Å²	53	41.2 Å²	41.2	21%	0.208	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-39.8	174.7	-179.8	-107.2	0	0	0	112.3	L105 G106 A107 Y112 A113 F429 L433	L105-Y109 WeakPolarHBondContact O-CB 3.41Å; L105-Y109 PolarHBondContact O-N 3.29Å; G106-Y109 WeakPolarHBondContact O-CB 3.36Å; G106-Y109 PolarHBondContact O-N 3Å; A107-Y109 VanDerWaalsContact C-N 3.3Å; A107-Y109 PolarHBondContact O-N 2.98Å; Y109-Y112 PolarHBondContact O-N 3.34Å; Y109-A113 WeakPolarHBondContact O-CB 3.38Å; Y109-A113 PolarHBondContact O-N 3.17Å; Y109-F429 HydrophobicContact CD2-CD1 4.08Å; Y109-F429 AromaticContact CD2-CE1 3.27Å; Y109-F429 HydrophobicContact CD2-CE1 3.27Å; Y109-F429 HydrophobicContact CD2-CE2 4.46Å; Y109-F429 AromaticContact CD2-CZ 3.49Å; Y109-F429 HydrophobicContact CD2-CZ 3.49Å; Y109-F429 VanDerWaalsContact CD2-CZ 3.49Å; Y109-F429 HydrophobicContact CE2-CD1 4.14Å; Y109-F429 AromaticContact CE2-CE1 3.75Å; Y109-F429 HydrophobicContact CE2-CE1 3.75Å; Y109-F429 AromaticContact CE2-CZ 3.99Å; Y109-F429 HydrophobicContact CE2-CZ 3.99Å; Y109-F429 HydrophobicContact CG-CE1 4.28Å; Y109-F429 HydrophobicContact CG-CZ 4.17Å; Y109-L433 HydrophobicContact CE1-CD1 4.47Å; Y109-L433 WeakPolarHBondContact OH-CB 3.19Å
110	M	91.4	Very high	88.8	Confident	16 Å²	16	42.8 Å²	42.8	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-39.6	176.2	-63.3	-50.7	-60.1	0	0	112.5	G106 A107 Y112 A113 L114 F467 I470 M471 L474	G106-M110 VanDerWaalsContact O-CG 3.32Å; G106-M110 WeakPolarHBondContact O-CG 3.09Å; G106-M110 PolarHBondContact O-N 2.75Å; A107-M110 PolarHBondContact O-N 3.22Å; A107-M110 VanDerWaalsContact O-N 3.13Å; M110-Y112 VanDerWaalsContact C-N 3.33Å; M110-Y112 PolarHBondContact O-N 2.81Å; M110-A113 WeakPolarHBondContact O-CB 3.2Å; M110-A113 PolarHBondContact O-N 3.32Å; M110-A113 VanDerWaalsContact O-N 3.17Å; M110-L114 PolarHBondContact O-N 2.76Å; M110-F467 HydrophobicContact CE-CB 3.66Å; M110-F467 HydrophobicContact CE-CD1 3.26Å; M110-F467 HydrophobicContact CE-CE1 4.05Å; M110-F467 HydrophobicContact CE-CG 3.66Å; M110-I470 HydrophobicContact CE-CB 3.88Å; M110-I470 HydrophobicContact CE-CD1 4.11Å; M110-I470 HydrophobicContact CE-CG2 4.04Å; M110-I470 HydrophobicContact CG-CG2 3.93Å; M110-I470 HydrophobicContact SD-CG2 4.01Å; M110-M471 HydrophobicContact CB-CB 4.13Å; M110-L474 HydrophobicContact CG-CD1 4.05Å
111	F	90.4	Very high	88.8	Confident	26 Å²	26	42.2 Å²	42.2	11%	0.114	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-45.4	172.3	-77.1	-62.3	0	0	0	111.6	A107 L108 A113 L114 A115 M471 V475 L494 G497 T498	A107-F111 WeakPolarHBondContact O-CD2 3.18Å; A107-F111 PolarHBondContact O-N 2.92Å; L108-F111 PolarHBondContact O-N 2.87Å; F111-A113 VanDerWaalsContact C-N 3.27Å; F111-A113 PolarHBondContact O-N 3.38Å; F111-L114 PolarHBondContact O-N 3.15Å; F111-A115 PolarHBondContact O-N 3.39Å; F111-M471 HydrophobicContact CD1-CG 4.16Å; F111-M471 HydrophobicContact CD1-SD 3.48Å; F111-M471 WeakPolarHBondContact CD1-SD 3.24Å; F111-M471 HydrophobicContact CE1-CE 4.35Å; F111-M471 HydrophobicContact CE1-CG 3.77Å; F111-M471 HydrophobicContact CE1-SD 3.1Å; F111-M471 WeakPolarHBondContact CE1-SD 3.49Å; F111-M471 HydrophobicContact CE2-CG 4.3Å; F111-M471 HydrophobicContact CG-SD 4.4Å; F111-M471 HydrophobicContact CZ-CG 3.83Å; F111-M471 HydrophobicContact CZ-SD 3.77Å; F111-V475 HydrophobicContact CE2-CG2 4.4Å; F111-V475 HydrophobicContact CZ-CG2 4.47Å; F111-L494 HydrophobicContact CZ-CD1 4.34Å; F111-G497 VanDerWaalsContact CD1-CA 3.46Å; F111-G497 WeakPolarHBondContact CD1-O 3.46Å; F111-G497 VanDerWaalsContact CE1-C 3.41Å; F111-T498 HydrophobicContact CE1-CG2 4.27Å
112	Y	87.6	Confident	88.8	Confident	113 Å²	113	37.2 Å²	37.2	44%	0.443	19%	0.192	S	C	.	.	H	α-helix	trans	-62.4	-37	175.5	-176.6	-104	0	0	0	112.1	L108 Y109 M110 A115 I116 T430	L108-Y112 WeakPolarHBondContact O-CB 3.31Å; L108-Y112 PolarHBondContact O-N 3.34Å; Y109-Y112 PolarHBondContact O-N 3.34Å; M110-Y112 VanDerWaalsContact C-N 3.33Å; M110-Y112 PolarHBondContact O-N 2.81Å; Y112-A115 PolarHBondContact O-N 3.23Å; Y112-I116 HydrophobicContact CD1-CD1 3.85Å; Y112-I116 HydrophobicContact CE1-CD1 3.26Å; Y112-I116 HydrophobicContact CE1-CG1 4.26Å; Y112-I116 HydrophobicContact CE2-CD1 4.48Å; Y112-I116 PolarHBondContact O-N 3.31Å; Y112-T430 HydrophobicContact CD1-CG2 4.04Å; Y112-T430 HydrophobicContact CE1-CG2 3.25Å
113	A	89.3	Confident	88.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-40.8	175.6	0	0	0	0	0	113.2	Y109 M110 F111 I116 V117 L433 F467	Y109-A113 WeakPolarHBondContact O-CB 3.38Å; Y109-A113 PolarHBondContact O-N 3.17Å; M110-A113 WeakPolarHBondContact O-CB 3.2Å; M110-A113 PolarHBondContact O-N 3.32Å; M110-A113 VanDerWaalsContact O-N 3.17Å; F111-A113 VanDerWaalsContact C-N 3.27Å; F111-A113 PolarHBondContact O-N 3.38Å; A113-I116 PolarHBondContact O-N 3.39Å; A113-V117 WeakPolarHBondContact O-CG2 3.43Å; A113-V117 PolarHBondContact O-N 3.3Å; A113-V117 VanDerWaalsContact O-N 3.12Å; A113-L433 HydrophobicContact CB-CD1 3.74Å; A113-L433 HydrophobicContact CB-CD2 3.44Å; A113-L433 VanDerWaalsContact CB-CD2 3.44Å; A113-L433 HydrophobicContact CB-CG 4.21Å; A113-F467 HydrophobicContact CB-CD2 3.92Å; A113-F467 HydrophobicContact CB-CE2 3.84Å; A113-F467 HydrophobicContact CB-CG 4.46Å; A113-F467 HydrophobicContact CB-CZ 4.32Å
114	L	88.9	Confident	88.5	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-46.1	174.2	-78.2	168.1	0	0	0	111.3	M110 F111 I116 V117 C118 I464 F467 M471	M110-L114 PolarHBondContact O-N 2.76Å; F111-L114 PolarHBondContact O-N 3.15Å; L114-I116 VanDerWaalsContact C-N 3.34Å; L114-I116 PolarHBondContact O-N 3.01Å; L114-V117 PolarHBondContact O-N 2.98Å; L114-C118 WeakPolarHBondContact O-CB 3.3Å; L114-C118 PolarHBondContact O-N 3.15Å; L114-C118 PolarHBondContact O-SG 3.3Å; L114-C118 VanDerWaalsContact O-SG 3.41Å; L114-I464 HydrophobicContact CD2-CB 4.4Å; L114-I464 HydrophobicContact CD2-CG2 3.87Å; L114-F467 HydrophobicContact CD2-CB 3.55Å; L114-F467 HydrophobicContact CG-CB 3.78Å; L114-M471 HydrophobicContact CD1-CB 4.38Å; L114-M471 HydrophobicContact CD1-CE 4.29Å; L114-M471 HydrophobicContact CD1-CG 4.43Å; L114-M471 HydrophobicContact CD1-SD 3.35Å; L114-M471 WeakPolarHBondContact CD1-SD 3.47Å
115	A	86.8	Confident	88.4	Confident	21 Å²	21	31 Å²	31	17%	0.174	16%	0.162	C	C	.	.	H	α-helix	trans	-54.5	-48.5	177.3	0	0	0	0	0	111.9	F111 Y112 V117 C118 D119 P501	F111-A115 PolarHBondContact O-N 3.39Å; Y112-A115 PolarHBondContact O-N 3.23Å; A115-V117 PolarHBondContact O-N 2.85Å; A115-C118 PolarHBondContact O-N 2.81Å; A115-D119 WeakPolarHBondContact O-CB 3.31Å; A115-D119 PolarHBondContact O-N 2.82Å; A115-P501 HydrophobicContact CB-CB 4.42Å; A115-P501 HydrophobicContact CB-CG 3.62Å
116	I	84.8	Confident	88.2	Confident	11 Å²	11	26.9 Å²	26.9	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-46.7	177.4	-71.1	169.2	0	0	0	111.7	Y112 A113 L114 C118 D120 F121 L412 L433 L437	Y112-I116 HydrophobicContact CD1-CD1 3.85Å; Y112-I116 HydrophobicContact CE1-CD1 3.26Å; Y112-I116 HydrophobicContact CE1-CG1 4.26Å; Y112-I116 HydrophobicContact CE2-CD1 4.48Å; Y112-I116 PolarHBondContact O-N 3.31Å; A113-I116 PolarHBondContact O-N 3.39Å; L114-I116 VanDerWaalsContact C-N 3.34Å; L114-I116 PolarHBondContact O-N 3.01Å; I116-C118 VanDerWaalsContact C-N 3.34Å; I116-C118 PolarHBondContact O-N 3.47Å; I116-D120 VanDerWaalsContact O-CB 3.29Å; I116-D120 WeakPolarHBondContact O-CB 3.07Å; I116-D120 PolarHBondContact O-N 3.36Å; I116-F121 HydrophobicContact CG2-CE2 4.2Å; I116-L412 HydrophobicContact CG2-CD2 4.09Å; I116-L433 HydrophobicContact CD1-CD2 4.11Å; I116-L437 HydrophobicContact CG2-CD1 3.94Å
117	V	88.8	Confident	87.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-40.3	-177.4	179.3	0	0	0	0	111.2	A113 L114 A115 F121 F122 L437 I441 A460 W463 I464 F467	A113-V117 WeakPolarHBondContact O-CG2 3.43Å; A113-V117 PolarHBondContact O-N 3.3Å; A113-V117 VanDerWaalsContact O-N 3.12Å; L114-V117 PolarHBondContact O-N 2.98Å; A115-V117 PolarHBondContact O-N 2.85Å; V117-F121 PolarHBondContact O-N 3.43Å; V117-F122 WeakPolarHBondContact O-CB 3.3Å; V117-F122 PolarHBondContact O-N 3.5Å; V117-L437 HydrophobicContact CG2-CD1 3.59Å; V117-L437 HydrophobicContact CG2-CD2 3.61Å; V117-L437 HydrophobicContact CG2-CG 4.25Å; V117-I441 HydrophobicContact CG1-CD1 4.23Å; V117-A460 HydrophobicContact CG1-CB 4.08Å; V117-W463 HydrophobicContact CG1-CB 4.28Å; V117-I464 HydrophobicContact CB-CG1 4.3Å; V117-I464 HydrophobicContact CG1-CD1 4.26Å; V117-I464 HydrophobicContact CG1-CG1 3.66Å; V117-F467 HydrophobicContact CG2-CD2 4.04Å; V117-F467 HydrophobicContact CG2-CE2 3.66Å
118	C	87.6	Confident	87.8	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.034	16%	0.156	C	C	.	.	I	π-helix	trans	-63.9	-57.3	177.6	-72.4	0	0	0	0	111.4	L114 A115 I116 F122 V123 P152	L114-C118 WeakPolarHBondContact O-CB 3.3Å; L114-C118 PolarHBondContact O-N 3.15Å; L114-C118 PolarHBondContact O-SG 3.3Å; L114-C118 VanDerWaalsContact O-SG 3.41Å; A115-C118 PolarHBondContact O-N 2.81Å; I116-C118 VanDerWaalsContact C-N 3.34Å; I116-C118 PolarHBondContact O-N 3.47Å; C118-F122 WeakPolarHBondContact O-CB 3.35Å; C118-F122 PolarHBondContact O-N 2.93Å; C118-V123 WeakPolarHBondContact O-CB 3.25Å; C118-V123 VanDerWaalsContact O-CG2 3.31Å; C118-V123 WeakPolarHBondContact O-CG2 3.46Å; C118-V123 PolarHBondContact O-N 2.85Å; C118-P152 WeakPolarHBondContact SG-CG 3.15Å
119	D	83.4	Confident	87.7	Confident	67 Å²	67	27.7 Å²	27.7	36%	0.358	14%	0.135	S	C	.	.	I	π-helix	trans	-75.3	-39.5	-169.5	-66.2	-16.4	0	0	0	112.7	A115 P124	A115-D119 WeakPolarHBondContact O-CB 3.31Å; A115-D119 PolarHBondContact O-N 2.82Å; D119-P124 VanDerWaalsContact O-CD 3.22Å; D119-P124 WeakPolarHBondContact O-CD 3.4Å
120	D	83.1	Confident	87.4	Confident	46 Å²	46	25.6 Å²	25.6	25%	0.246	13%	0.128	C	C	.	.	I	π-helix	trans	-93.2	-20.9	-170.4	-61.7	-46.2	0	0	0	114.2	I116 L412	I116-D120 VanDerWaalsContact O-CB 3.29Å; I116-D120 WeakPolarHBondContact O-CB 3.07Å; I116-D120 PolarHBondContact O-N 3.36Å; D120-L412 HydrophobicContact CB-CD1 4.09Å; D120-L412 HydrophobicContact CB-CD2 4.37Å; D120-L412 WeakPolarHBondContact OD1-CD1 3.39Å; D120-L412 WeakPolarHBondContact OD2-CD1 3.39Å; D120-L412 WeakPolarHBondContact OD2-CD2 3.34Å
121	F	87.6	Confident	87.2	Confident	5 Å²	5	30.2 Å²	30.2	2%	0.022	15%	0.149	C	C	.	.	I	π-helix	trans	-124.3	-48.3	-174.8	-60.7	-87	0	0	0	112.9	I116 V117 S125 L437 I441 N443 A460	I116-F121 HydrophobicContact CG2-CE2 4.2Å; V117-F121 PolarHBondContact O-N 3.43Å; F121-S125 WeakPolarHBondContact O-CB 3.4Å; F121-S125 PolarHBondContact O-N 3.42Å; F121-S125 PolarHBondContact O-OG 3.27Å; F121-L437 HydrophobicContact CE2-CB 4.35Å; F121-L437 HydrophobicContact CZ-CB 4.4Å; F121-I441 HydrophobicContact CB-CD1 4.49Å; F121-I441 HydrophobicContact CB-CG2 4.05Å; F121-I441 HydrophobicContact CD1-CB 3.93Å; F121-I441 HydrophobicContact CD1-CG2 3.43Å; F121-I441 VanDerWaalsContact CD1-CG2 3.43Å; F121-I441 HydrophobicContact CD2-CD1 4.48Å; F121-I441 HydrophobicContact CE1-CB 4.1Å; F121-I441 HydrophobicContact CE1-CG2 4.09Å; F121-I441 HydrophobicContact CG-CB 4.49Å; F121-I441 HydrophobicContact CG-CD1 4.27Å; F121-I441 HydrophobicContact CG-CG2 3.95Å; F121-N443 HydrophobicContact CD1-CB 4.34Å; F121-N443 HydrophobicContact CE1-CB 4.05Å; F121-A460 HydrophobicContact CB-CB 4.27Å
122	F	89.3	Confident	87.1	Confident	7 Å²	7	35.8 Å²	35.8	3%	0.031	17%	0.17	C	C	.	.	I	π-helix	trans	-76.3	-52.5	-172.9	-175.1	-116.4	0	0	0	112.3	V117 C118 S125 L126 G148 T151 F457 A460 T461 I464	V117-F122 WeakPolarHBondContact O-CB 3.3Å; V117-F122 PolarHBondContact O-N 3.5Å; C118-F122 WeakPolarHBondContact O-CB 3.35Å; C118-F122 PolarHBondContact O-N 2.93Å; F122-S125 WeakPolarHBondContact O-CB 3.47Å; F122-S125 PolarHBondContact O-N 3.03Å; F122-S125 VanDerWaalsContact O-N 3.1Å; F122-S125 PolarHBondContact O-OG 3.08Å; F122-L126 HydrophobicContact CD1-CD1 3.92Å; F122-L126 HydrophobicContact CE1-CD1 3.54Å; F122-L126 HydrophobicContact CE2-CD1 4.41Å; F122-L126 HydrophobicContact CZ-CD1 3.81Å; F122-L126 HydrophobicContact CZ-CG 4.44Å; F122-L126 PolarHBondContact O-N 2.88Å; F122-G148 WeakPolarHBondContact CD1-O 3.3Å; F122-G148 VanDerWaalsContact CE1-O 3.27Å; F122-G148 WeakPolarHBondContact CE1-O 3.33Å; F122-T151 HydrophobicContact CE1-CG2 3.86Å; F122-T151 WeakPolarHBondContact CE1-OG1 3.31Å; F122-T151 HydrophobicContact CZ-CG2 3.88Å; F122-T151 WeakPolarHBondContact CZ-OG1 3.44Å; F122-F457 HydrophobicContact CD2-CD2 4.03Å; F122-F457 HydrophobicContact CD2-CE2 4.13Å; F122-F457 AromaticContact CE2-CD2 3.59Å; F122-F457 HydrophobicContact CE2-CD2 3.59Å; F122-F457 AromaticContact CE2-CE2 3.25Å; F122-F457 HydrophobicContact CE2-CE2 3.25Å; F122-F457 AromaticContact CE2-CZ 3.99Å; F122-F457 HydrophobicContact CE2-CZ 3.99Å; F122-F457 HydrophobicContact CZ-CD2 4.48Å; F122-F457 AromaticContact CZ-CE2 3.78Å; F122-F457 HydrophobicContact CZ-CE2 3.78Å; F122-F457 HydrophobicContact CZ-CZ 4.41Å; F122-A460 HydrophobicContact CB-CB 4.13Å; F122-A460 HydrophobicContact CD2-CB 4.23Å; F122-T461 WeakPolarHBondContact CE2-OG1 3.39Å; F122-I464 HydrophobicContact CB-CD1 4.01Å; F122-I464 HydrophobicContact CD1-CD1 3.98Å; F122-I464 HydrophobicContact CD2-CD1 4.09Å; F122-I464 HydrophobicContact CE1-CD1 4.44Å; F122-I464 HydrophobicContact CG-CD1 3.78Å
123	V	87.1	Confident	86.9	Confident	24 Å²	24	35.1 Å²	35.1	15%	0.145	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-47.8	178.8	172	0	0	0	0	112	C118 S125 L126 E127 M145	C118-V123 WeakPolarHBondContact O-CB 3.25Å; C118-V123 VanDerWaalsContact O-CG2 3.31Å; C118-V123 WeakPolarHBondContact O-CG2 3.46Å; C118-V123 PolarHBondContact O-N 2.85Å; V123-S125 VanDerWaalsContact C-N 3.25Å; V123-S125 PolarHBondContact O-N 2.79Å; V123-L126 WeakPolarHBondContact O-CA 3.21Å; V123-L126 WeakPolarHBondContact O-CB 3.31Å; V123-L126 PolarHBondContact O-N 3.37Å; V123-E127 PolarHBondContact O-N 3.21Å; V123-M145 HydrophobicContact CG1-CE 3.38Å; V123-M145 HydrophobicContact CG1-SD 4.38Å
124	P	86.3	Confident	86.6	Confident	23 Å²	23	43.4 Å²	43.4	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-29.6	175.9	-25.8	36.1	0	0	0	113.8	D119 K128 S445	D119-P124 VanDerWaalsContact O-CD 3.22Å; D119-P124 WeakPolarHBondContact O-CD 3.4Å; P124-K128 PolarHBondContact O-N 3.24Å; P124-S445 WeakPolarHBondContact CB-OG 3.43Å
125	S	89	Confident	86.1	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.4	-35.6	175	77.4	0	0	0	0	111.7	F121 F122 V123 K128 I129	F121-S125 WeakPolarHBondContact O-CB 3.4Å; F121-S125 PolarHBondContact O-N 3.42Å; F121-S125 PolarHBondContact O-OG 3.27Å; F122-S125 WeakPolarHBondContact O-CB 3.47Å; F122-S125 PolarHBondContact O-N 3.03Å; F122-S125 VanDerWaalsContact O-N 3.1Å; F122-S125 PolarHBondContact O-OG 3.08Å; V123-S125 VanDerWaalsContact C-N 3.25Å; V123-S125 PolarHBondContact O-N 2.79Å; S125-K128 PolarHBondContact O-N 3.24Å; S125-I129 VanDerWaalsContact O-CG1 3.29Å; S125-I129 WeakPolarHBondContact O-CG1 3.47Å; S125-I129 PolarHBondContact O-N 3.48Å; S125-I129 VanDerWaalsContact O-N 3.1Å
126	L	87.2	Confident	85.5	Confident	11 Å²	11	48.2 Å²	48.2	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-43.4	172.6	-80.5	167.6	0	0	0	111.9	F122 V123 K128 I129 C130 F144 F457	F122-L126 HydrophobicContact CD1-CD1 3.92Å; F122-L126 HydrophobicContact CE1-CD1 3.54Å; F122-L126 HydrophobicContact CE2-CD1 4.41Å; F122-L126 HydrophobicContact CZ-CD1 3.81Å; F122-L126 HydrophobicContact CZ-CG 4.44Å; F122-L126 PolarHBondContact O-N 2.88Å; V123-L126 WeakPolarHBondContact O-CA 3.21Å; V123-L126 WeakPolarHBondContact O-CB 3.31Å; V123-L126 PolarHBondContact O-N 3.37Å; L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 2.7Å; L126-I129 HydrophobicContact CD2-CD1 4.42Å; L126-I129 WeakPolarHBondContact O-CA 3.41Å; L126-I129 WeakPolarHBondContact O-CB 3.22Å; L126-I129 PolarHBondContact O-N 2.83Å; L126-C130 PolarHBondContact O-N 3.43Å; L126-C130 PolarHBondContact O-SG 2.96Å; L126-F144 HydrophobicContact CD2-CD1 4.3Å; L126-F457 HydrophobicContact CD2-CD2 4.2Å; L126-F457 HydrophobicContact CD2-CE2 3.58Å; L126-F457 HydrophobicContact CD2-CZ 4.48Å; L126-F457 HydrophobicContact CG-CD2 4.23Å; L126-F457 HydrophobicContact CG-CE2 3.93Å
127	E	86.6	Confident	84.8	Confident	92 Å²	92	56.2 Å²	56.2	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-54.4	-46.2	173.6	-70.1	177	168.2	0	0	111	V123 I129 C130 E131 M145	V123-E127 PolarHBondContact O-N 3.21Å; E127-I129 VanDerWaalsContact C-N 3.3Å; E127-I129 PolarHBondContact O-N 3.15Å; E127-C130 WeakPolarHBondContact O-CB 3.42Å; E127-C130 PolarHBondContact O-N 2.58Å; E127-C130 VanDerWaalsContact O-N 3.13Å; E127-E131 WeakPolarHBondContact O-CG 3.42Å; E127-E131 PolarHBondContact O-N 3Å; E127-M145 HydrophobicContact CG-CE 3.48Å; E127-M145 VanDerWaalsContact CG-CE 3.48Å; E127-M145 HydrophobicContact CG-SD 3.56Å; E127-M145 VanDerWaalsContact CG-SD 3.56Å; E127-M145 WeakPolarHBondContact OE1-CE 3.29Å
128	K	87.4	Confident	83.7	Confident	35 Å²	35	61.4 Å²	61.4	15%	0.152	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-33.8	177.9	-158.3	72	-162	170.9	0	113	P124 S125 L126 E131 R132 E450 F453	P124-K128 PolarHBondContact O-N 3.24Å; S125-K128 PolarHBondContact O-N 3.24Å; L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 2.7Å; K128-E131 WeakPolarHBondContact CD-OE2 3.42Å; K128-E131 VanDerWaalsContact CE-OE2 3.31Å; K128-E131 WeakPolarHBondContact CE-OE2 3.29Å; K128-E131 IonicContact NZ-OE2 2.85Å; K128-E131 PolarHBondContact NZ-OE2 2.66Å; K128-R132 WeakPolarHBondContact O-CB 3.46Å; K128-R132 WeakPolarHBondContact O-CG 3.35Å; K128-R132 PolarHBondContact O-N 3.38Å; K128-R132 VanDerWaalsContact O-N 3.14Å; K128-E450 HydrophobicContact CD-CG 4.19Å; K128-E450 WeakPolarHBondContact CE-OE1 3.48Å; K128-E450 IonicContact NZ-OE1 2.75Å; K128-E450 PolarHBondContact NZ-OE1 2.93Å; K128-F453 HydrophobicContact CB-CB 3.99Å; K128-F453 HydrophobicContact CB-CD2 4.38Å; K128-F453 HydrophobicContact CB-CG 4.21Å; K128-F453 HydrophobicContact CG-CB 3.91Å; K128-F453 HydrophobicContact CG-CD1 4.17Å; K128-F453 HydrophobicContact CG-CD2 4.41Å; K128-F453 HydrophobicContact CG-CG 3.91Å
129	I	88.3	Confident	82.9	Confident	22 Å²	22	61.9 Å²	61.9	11%	0.113	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-46.1	172.7	-68.2	162.9	0	0	0	109.7	S125 L126 E127 E131 R132 L133 F453 M454 F457	S125-I129 VanDerWaalsContact O-CG1 3.29Å; S125-I129 WeakPolarHBondContact O-CG1 3.47Å; S125-I129 PolarHBondContact O-N 3.48Å; S125-I129 VanDerWaalsContact O-N 3.1Å; L126-I129 HydrophobicContact CD2-CD1 4.42Å; L126-I129 WeakPolarHBondContact O-CA 3.41Å; L126-I129 WeakPolarHBondContact O-CB 3.22Å; L126-I129 PolarHBondContact O-N 2.83Å; E127-I129 VanDerWaalsContact C-N 3.3Å; E127-I129 PolarHBondContact O-N 3.15Å; I129-E131 PolarHBondContact O-N 3.36Å; I129-R132 PolarHBondContact O-N 2.95Å; I129-L133 HydrophobicContact CG2-CD1 3.75Å; I129-L133 HydrophobicContact CG2-CG 4.33Å; I129-L133 WeakPolarHBondContact O-CB 3.43Å; I129-L133 WeakPolarHBondContact O-CG 3.45Å; I129-L133 PolarHBondContact O-N 3.19Å; I129-F453 HydrophobicContact CG1-CD2 3.69Å; I129-F453 HydrophobicContact CG1-CE2 3.7Å; I129-M454 HydrophobicContact CD1-SD 4.1Å; I129-M454 HydrophobicContact CG1-SD 4.08Å; I129-F457 HydrophobicContact CD1-CB 4.24Å; I129-F457 HydrophobicContact CD1-CD1 4.48Å; I129-F457 HydrophobicContact CD1-CD2 3.73Å; I129-F457 HydrophobicContact CD1-CE2 4.19Å; I129-F457 HydrophobicContact CD1-CG 3.89Å
130	C	85.6	Confident	82.5	Confident	8 Å²	8	59.3 Å²	59.3	5%	0.054	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-43.2	178.4	-66	0	0	0	0	112.4	L126 E127 R132 L133 H134 L135 A140 F144	L126-C130 PolarHBondContact O-N 3.43Å; L126-C130 PolarHBondContact O-SG 2.96Å; E127-C130 WeakPolarHBondContact O-CB 3.42Å; E127-C130 PolarHBondContact O-N 2.58Å; E127-C130 VanDerWaalsContact O-N 3.13Å; C130-R132 VanDerWaalsContact C-N 3.32Å; C130-R132 PolarHBondContact O-N 2.91Å; C130-L133 PolarHBondContact O-N 3.04Å; C130-H134 PolarHBondContact O-N 2.94Å; C130-H134 VanDerWaalsContact O-N 3.13Å; C130-L135 HydrophobicContact CB-CD1 4.46Å; C130-L135 PolarHBondContact O-N 3.41Å; C130-A140 HydrophobicContact CB-CB 3.92Å; C130-F144 WeakPolarHBondContact SG-CB 3.26Å
131	E	86.4	Confident	81.8	Confident	114 Å²	114	58.5 Å²	58.5	53%	0.533	30%	0.298	S	S	.	.	H	α-helix	trans	-59.8	-42.3	174.7	-73.8	-178.6	-176	0	0	112	E127 K128 I129 L133 H134	E127-E131 WeakPolarHBondContact O-CG 3.42Å; E127-E131 PolarHBondContact O-N 3Å; K128-E131 WeakPolarHBondContact CD-OE2 3.42Å; K128-E131 VanDerWaalsContact CE-OE2 3.31Å; K128-E131 WeakPolarHBondContact CE-OE2 3.29Å; K128-E131 IonicContact NZ-OE2 2.85Å; K128-E131 PolarHBondContact NZ-OE2 2.66Å; I129-E131 PolarHBondContact O-N 3.36Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-H134 PolarHBondContact O-N 2.8Å
132	R	87.3	Confident	80.8	Confident	142 Å²	142	58.6 Å²	58.6	54%	0.536	30%	0.299	S	S	.	.	H	α-helix	trans	-71.2	-29	179.7	-71	-70.6	-174.4	170.4	-3.9	113	K128 I129 C130 H134 F453	K128-R132 WeakPolarHBondContact O-CB 3.46Å; K128-R132 WeakPolarHBondContact O-CG 3.35Å; K128-R132 PolarHBondContact O-N 3.38Å; K128-R132 VanDerWaalsContact O-N 3.14Å; I129-R132 PolarHBondContact O-N 2.95Å; C130-R132 VanDerWaalsContact C-N 3.32Å; C130-R132 PolarHBondContact O-N 2.91Å; R132-H134 VanDerWaalsContact C-N 3.3Å; R132-F453 HydrophobicContact CG-CE1 4.33Å; R132-F453 HydrophobicContact CG-CZ 4.03Å
133	L	84.9	Confident	80.2	Confident	99 Å²	99	58.4 Å²	58.4	52%	0.518	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.3	175.7	-69.3	175.7	0	0	0	113.1	I129 C130 E131 L135 F144	I129-L133 HydrophobicContact CG2-CD1 3.75Å; I129-L133 HydrophobicContact CG2-CG 4.33Å; I129-L133 WeakPolarHBondContact O-CB 3.43Å; I129-L133 WeakPolarHBondContact O-CG 3.45Å; I129-L133 PolarHBondContact O-N 3.19Å; C130-L133 PolarHBondContact O-N 3.04Å; E131-L133 VanDerWaalsContact C-N 3.33Å; L133-L135 HydrophobicContact CB-CD1 4.23Å; L133-L135 HydrophobicContact CB-CG 3.9Å; L133-L135 HydrophobicContact CD1-CD1 4.36Å; L133-L135 PolarHBondContact O-N 3.24Å; L133-F144 HydrophobicContact CD1-CZ 4.47Å
134	H	83.4	Confident	79.9	Confident	175 Å²	175	60.7 Å²	60.7	81%	0.81	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	42.4	-176.9	-62	-69.4	0	0	0	112.8	C130 E131 R132	C130-H134 PolarHBondContact O-N 2.94Å; C130-H134 VanDerWaalsContact O-N 3.13Å; E131-H134 PolarHBondContact O-N 2.8Å; R132-H134 VanDerWaalsContact C-N 3.3Å
135	L	76.9	Confident	79.7	Confident	60 Å²	60	61.7 Å²	61.7	31%	0.314	31%	0.31	S	S	.	.			trans	-76.3	144.7	174.7	-62.8	175.6	0	0	0	110	C130 L133 A140 F144	C130-L135 HydrophobicContact CB-CD1 4.46Å; C130-L135 PolarHBondContact O-N 3.41Å; L133-L135 HydrophobicContact CB-CD1 4.23Å; L133-L135 HydrophobicContact CB-CG 3.9Å; L133-L135 HydrophobicContact CD1-CD1 4.36Å; L133-L135 PolarHBondContact O-N 3.24Å; L135-A140 HydrophobicContact CB-CB 4.36Å; L135-F144 HydrophobicContact CD1-CD2 3.49Å; L135-F144 VanDerWaalsContact CD1-CD2 3.49Å; L135-F144 HydrophobicContact CD1-CE2 3.33Å; L135-F144 HydrophobicContact CD1-CG 4.47Å; L135-F144 HydrophobicContact CD1-CZ 4.21Å
136	S	74.8	Confident	79.2	Confident	67 Å²	67	61.8 Å²	61.8	47%	0.469	31%	0.31	S	S	.	.			trans	-66.3	144.8	170.5	56.4	0	0	0	0	109.9	D138 V139 A140	S136-D138 PolarHBondContact O-N 3.44Å; S136-V139 PolarHBondContact O-N 3.28Å; S136-V139 WeakPolarHBondContact OG-CG2 2.97Å; S136-A140 PolarHBondContact O-N 3.05Å
137	E	70.9	Confident	79	Confident	179 Å²	179	62 Å²	62	84%	0.836	31%	0.314	S	S	*	.	H	α-helix	trans	-54.1	-39.5	-178.2	-64.9	-175.8	173.4	0	0	112.1	V139 A140 G141	E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 3.38Å; E137-A140 PolarHBondContact O-N 3.06Å; E137-G141 PolarHBondContact O-N 3.33Å
138	D	65.2	Low	79	Confident	109 Å²	109	57.6 Å²	57.6	58%	0.583	29%	0.293	S	S	*	.	H	α-helix	trans	-59.8	-39.1	175.8	-64.2	-22	0	0	0	113.4	S136 A142	S136-D138 PolarHBondContact O-N 3.44Å; D138-A142 VanDerWaalsContact O-CB 3.31Å; D138-A142 WeakPolarHBondContact O-CB 3.25Å; D138-A142 PolarHBondContact O-N 3Å
139	V	70.4	Confident	78.8	Confident	15 Å²	15	56.5 Å²	56.5	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-79.9	-41.4	-179	174.2	0	0	0	0	109.6	S136 E137 T143	S136-V139 PolarHBondContact O-N 3.28Å; S136-V139 WeakPolarHBondContact OG-CG2 2.97Å; E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 3.38Å; V139-T143 WeakPolarHBondContact O-CB 3.17Å; V139-T143 PolarHBondContact O-N 3.47Å; V139-T143 VanDerWaalsContact O-N 3.11Å; V139-T143 PolarHBondContact O-OG1 3.16Å
140	A	74.4	Confident	78.9	Confident	13 Å²	13	55.4 Å²	55.4	11%	0.107	28%	0.284	C	S	.	.	I	π-helix	trans	-59.4	-48.2	176	0	0	0	0	0	111.1	C130 L135 S136 E137 F144 M145	C130-A140 HydrophobicContact CB-CB 3.92Å; L135-A140 HydrophobicContact CB-CB 4.36Å; S136-A140 PolarHBondContact O-N 3.05Å; E137-A140 PolarHBondContact O-N 3.06Å; A140-F144 PolarHBondContact O-N 3.32Å; A140-M145 WeakPolarHBondContact O-CG 3.35Å; A140-M145 PolarHBondContact O-N 3.32Å
141	G	69.1	Low	79.1	Confident	29 Å²	29	55.5 Å²	55.5	30%	0.299	29%	0.285	S	S	.	.	I	π-helix	trans	-60.2	-52.7	177.4	0	0	0	0	0	112.8	E137 T143 A146	E137-G141 PolarHBondContact O-N 3.33Å; G141-T143 VanDerWaalsContact C-N 3.28Å; G141-T143 PolarHBondContact O-N 3.22Å; G141-A146 PolarHBondContact O-N 2.88Å
142	A	65.5	Low	79.3	Confident	6 Å²	6	50.3 Å²	50.3	5%	0.05	26%	0.261	C	S	.	.	I	π-helix	trans	-73.3	-14.8	-175.2	0	0	0	0	0	114.9	D138 M245	D138-A142 VanDerWaalsContact O-CB 3.31Å; D138-A142 WeakPolarHBondContact O-CB 3.25Å; D138-A142 PolarHBondContact O-N 3Å; A142-M245 HydrophobicContact CB-CE 3.48Å; A142-M245 VanDerWaalsContact CB-CE 3.48Å
143	T	77.1	Confident	79.6	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.018	24%	0.235	C	C	.	.	I	π-helix	trans	-123	-66.9	-174.2	63.9	0	0	0	0	112.8	V139 G141 A147 I242	V139-T143 WeakPolarHBondContact O-CB 3.17Å; V139-T143 PolarHBondContact O-N 3.47Å; V139-T143 VanDerWaalsContact O-N 3.11Å; V139-T143 PolarHBondContact O-OG1 3.16Å; G141-T143 VanDerWaalsContact C-N 3.28Å; G141-T143 PolarHBondContact O-N 3.22Å; T143-A147 WeakPolarHBondContact O-CB 3.46Å; T143-A147 PolarHBondContact O-N 2.96Å; T143-I242 HydrophobicContact CG2-CG1 3.95Å
144	F	81.8	Confident	79.9	Confident	73 Å²	73	40.3 Å²	40.3	32%	0.32	22%	0.218	S	C	.	.	I	π-helix	trans	-74.3	-40.6	-174	-78.1	-86.7	0	0	0	112.4	L126 C130 L133 L135 A140 G148	L126-F144 HydrophobicContact CD2-CD1 4.3Å; C130-F144 WeakPolarHBondContact SG-CB 3.26Å; L133-F144 HydrophobicContact CD1-CZ 4.47Å; L135-F144 HydrophobicContact CD1-CD2 3.49Å; L135-F144 VanDerWaalsContact CD1-CD2 3.49Å; L135-F144 HydrophobicContact CD1-CE2 3.33Å; L135-F144 HydrophobicContact CD1-CG 4.47Å; L135-F144 HydrophobicContact CD1-CZ 4.21Å; A140-F144 PolarHBondContact O-N 3.32Å; F144-G148 PolarHBondContact O-N 2.91Å
145	M	81.4	Confident	80.4	Confident	44 Å²	44	33.8 Å²	33.8	22%	0.217	19%	0.188	C	C	.	.	I	π-helix	trans	-71.2	-43.3	178.1	-60.3	-62	-72.6	0	0	110.9	V123 E127 A140 G148 S149	V123-M145 HydrophobicContact CG1-CE 3.38Å; V123-M145 HydrophobicContact CG1-SD 4.38Å; E127-M145 HydrophobicContact CG-CE 3.48Å; E127-M145 VanDerWaalsContact CG-CE 3.48Å; E127-M145 HydrophobicContact CG-SD 3.56Å; E127-M145 VanDerWaalsContact CG-SD 3.56Å; E127-M145 WeakPolarHBondContact OE1-CE 3.29Å; A140-M145 WeakPolarHBondContact O-CG 3.35Å; A140-M145 PolarHBondContact O-N 3.32Å; M145-G148 VanDerWaalsContact O-CA 3.32Å; M145-G148 WeakPolarHBondContact O-CA 3.28Å; M145-G148 PolarHBondContact O-N 3.4Å; M145-S149 PolarHBondContact O-N 3.19Å
146	A	79.6	Confident	81.1	Confident	1 Å²	1	31 Å²	31	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-42.9	172.3	0	0	0	0	0	112.7	G141 G148 S149 S150	G141-A146 PolarHBondContact O-N 2.88Å; A146-G148 PolarHBondContact O-N 3.37Å; A146-S149 PolarHBondContact O-N 2.83Å; A146-S149 PolarHBondContact O-OG 2.84Å; A146-S150 WeakPolarHBondContact O-CB 3.38Å; A146-S150 PolarHBondContact O-N 3.37Å; A146-S150 PolarHBondContact O-OG 2.77Å
147	A	82.9	Confident	81.9	Confident	16 Å²	16	27.9 Å²	27.9	13%	0.132	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-31	171.7	0	0	0	0	0	112.2	T143 T151 F528	T143-A147 WeakPolarHBondContact O-CB 3.46Å; T143-A147 PolarHBondContact O-N 2.96Å; A147-T151 PolarHBondContact O-N 3.1Å; A147-T151 PolarHBondContact O-OG1 2.69Å; A147-F528 HydrophobicContact CB-CD1 4.45Å; A147-F528 HydrophobicContact CB-CD2 3.59Å; A147-F528 HydrophobicContact CB-CE1 4.27Å; A147-F528 HydrophobicContact CB-CE2 3.37Å; A147-F528 HydrophobicContact CB-CG 4.13Å; A147-F528 HydrophobicContact CB-CZ 3.73Å
148	G	85.9	Confident	83	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-50.9	176.2	0	0	0	0	0	112.4	F122 F144 M145 A146 T151	F122-G148 WeakPolarHBondContact CD1-O 3.3Å; F122-G148 VanDerWaalsContact CE1-O 3.27Å; F122-G148 WeakPolarHBondContact CE1-O 3.33Å; F144-G148 PolarHBondContact O-N 2.91Å; M145-G148 VanDerWaalsContact O-CA 3.32Å; M145-G148 WeakPolarHBondContact O-CA 3.28Å; M145-G148 PolarHBondContact O-N 3.4Å; A146-G148 PolarHBondContact O-N 3.37Å; G148-T151 PolarHBondContact O-N 3.46Å
149	S	83.8	Confident	84.2	Confident	11 Å²	11	16.5 Å²	16.5	8%	0.077	10%	0.097	C	C	.	.	H	α-helix	trans	-69.1	-39.6	-178.4	83.2	0	0	0	0	111.7	M145 A146 T151 P152 D502	M145-S149 PolarHBondContact O-N 3.19Å; A146-S149 PolarHBondContact O-N 2.83Å; A146-S149 PolarHBondContact O-OG 2.84Å; S149-T151 VanDerWaalsContact C-N 3.29Å; S149-T151 PolarHBondContact O-N 3.32Å; S149-P152 WeakPolarHBondContact O-CD 3.26Å; S149-D502 WeakPolarHBondContact CB-OD1 3.42Å; S149-D502 VanDerWaalsContact CB-OD2 3.29Å; S149-D502 WeakPolarHBondContact CB-OD2 3.46Å; S149-D502 PolarHBondContact OG-OD2 3.38Å
150	S	89.4	Confident	85.1	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	2.2	176.4	-78.7	0	0	0	0	117.2	A146 E153 L154 S525 D529	A146-S150 WeakPolarHBondContact O-CB 3.38Å; A146-S150 PolarHBondContact O-N 3.37Å; A146-S150 PolarHBondContact O-OG 2.77Å; S150-E153 VanDerWaalsContact C-OE2 3.25Å; S150-E153 VanDerWaalsContact CA-OE2 3.26Å; S150-E153 WeakPolarHBondContact CA-OE2 3.45Å; S150-E153 WeakPolarHBondContact O-CB 3.4Å; S150-E153 PolarHBondContact O-N 2.7Å; S150-L154 PolarHBondContact O-N 2.78Å; S150-L154 VanDerWaalsContact O-N 3.09Å; S150-S525 VanDerWaalsContact OG-CB 3.28Å; S150-S525 WeakPolarHBondContact OG-CB 3.4Å; S150-S525 PolarHBondContact OG-O 2.84Å; S150-D529 WeakPolarHBondContact CB-OD1 3.41Å; S150-D529 PolarHBondContact OG-OD1 3.48Å
151	T	89.8	Confident	85.8	Confident	10 Å²	10	15.7 Å²	15.7	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-67.4	-37.6	-175.1	-70.5	0	0	0	0	113.8	F122 A147 G148 S149 E153 L154 F155 I464	F122-T151 HydrophobicContact CE1-CG2 3.86Å; F122-T151 WeakPolarHBondContact CE1-OG1 3.31Å; F122-T151 HydrophobicContact CZ-CG2 3.88Å; F122-T151 WeakPolarHBondContact CZ-OG1 3.44Å; A147-T151 PolarHBondContact O-N 3.1Å; A147-T151 PolarHBondContact O-OG1 2.69Å; G148-T151 PolarHBondContact O-N 3.46Å; S149-T151 VanDerWaalsContact C-N 3.29Å; S149-T151 PolarHBondContact O-N 3.32Å; T151-E153 VanDerWaalsContact C-N 3.31Å; T151-E153 PolarHBondContact O-N 2.86Å; T151-L154 PolarHBondContact O-N 2.98Å; T151-F155 HydrophobicContact CG2-CD2 3.72Å; T151-F155 HydrophobicContact CG2-CE2 3.53Å; T151-F155 VanDerWaalsContact O-CD2 3.26Å; T151-F155 WeakPolarHBondContact O-CD2 3.17Å; T151-F155 PolarHBondContact O-N 3.42Å; T151-I464 HydrophobicContact CG2-CD1 3.96Å; T151-I464 HydrophobicContact CG2-CG2 4.12Å
152	P	91.1	Very high	86.8	Confident	5 Å²	5	16.7 Å²	16.7	3%	0.032	9%	0.087	C	C	.	.	H	α-helix	trans	-56.8	-41.5	171.4	-26.4	37.7	0	0	0	113.4	C118 S149 F155 A156 I464 T498	C118-P152 WeakPolarHBondContact SG-CG 3.15Å; S149-P152 WeakPolarHBondContact O-CD 3.26Å; P152-F155 PolarHBondContact O-N 3.44Å; P152-A156 WeakPolarHBondContact O-CB 3.18Å; P152-A156 PolarHBondContact O-N 3.2Å; P152-I464 HydrophobicContact CG-CG2 4.31Å; P152-T498 HydrophobicContact CB-CG2 4.02Å
153	E	92.3	Very high	87.9	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-47.6	176.3	-71.7	78	-176	0	0	111	S150 T151 F155 A156 S157 I173 T498 S499	S150-E153 VanDerWaalsContact C-OE2 3.25Å; S150-E153 VanDerWaalsContact CA-OE2 3.26Å; S150-E153 WeakPolarHBondContact CA-OE2 3.45Å; S150-E153 WeakPolarHBondContact O-CB 3.4Å; S150-E153 PolarHBondContact O-N 2.7Å; T151-E153 VanDerWaalsContact C-N 3.31Å; T151-E153 PolarHBondContact O-N 2.86Å; E153-F155 VanDerWaalsContact C-N 3.29Å; E153-F155 PolarHBondContact O-N 3.5Å; E153-A156 PolarHBondContact O-N 3.36Å; E153-S157 PolarHBondContact O-N 3.13Å; E153-I173 HydrophobicContact CB-CD1 3.95Å; E153-T498 WeakPolarHBondContact CG-OG1 3.23Å; E153-T498 VanDerWaalsContact OE1-C 3.25Å; E153-T498 WeakPolarHBondContact OE1-CB 3.39Å; E153-T498 PolarHBondContact OE1-OG1 3.48Å; E153-S499 PolarHBondContact OE1-N 3.5Å; E153-S499 PolarHBondContact OE1-OG 3.03Å; E153-S499 VanDerWaalsContact OE1-OG 3.09Å
154	L	92.6	Very high	88.1	Confident	30 Å²	30	19 Å²	19	16%	0.157	10%	0.099	C	C	.	.	H	α-helix	trans	-57	-42.7	174.8	172.7	66.4	0	0	0	111.3	S150 T151 S157 V158 F528	S150-L154 PolarHBondContact O-N 2.78Å; S150-L154 VanDerWaalsContact O-N 3.09Å; T151-L154 PolarHBondContact O-N 2.98Å; L154-S157 PolarHBondContact O-N 3.42Å; L154-S157 PolarHBondContact O-OG 2.85Å; L154-V158 HydrophobicContact CD1-CG2 4.44Å; L154-V158 WeakPolarHBondContact O-CG2 3.48Å; L154-V158 PolarHBondContact O-N 2.93Å; L154-F528 HydrophobicContact CB-CE1 4.42Å; L154-F528 HydrophobicContact CD2-CZ 4.23Å
155	F	93.1	Very high	88.1	Confident	39 Å²	39	20.3 Å²	20.3	17%	0.171	11%	0.105	C	C	.	.	H	α-helix	trans	-70.6	-38.1	177.3	-80.1	-67.4	0	0	0	112.6	T151 P152 E153 S157 V158 I159 T461 I464 A465	T151-F155 HydrophobicContact CG2-CD2 3.72Å; T151-F155 HydrophobicContact CG2-CE2 3.53Å; T151-F155 VanDerWaalsContact O-CD2 3.26Å; T151-F155 WeakPolarHBondContact O-CD2 3.17Å; T151-F155 PolarHBondContact O-N 3.42Å; P152-F155 PolarHBondContact O-N 3.44Å; E153-F155 VanDerWaalsContact C-N 3.29Å; E153-F155 PolarHBondContact O-N 3.5Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 2.89Å; F155-V158 PolarHBondContact O-N 3.26Å; F155-I159 WeakPolarHBondContact O-CB 3.38Å; F155-I159 VanDerWaalsContact O-CD1 3.26Å; F155-I159 WeakPolarHBondContact O-CD1 3.44Å; F155-I159 VanDerWaalsContact O-CG1 3.25Å; F155-I159 WeakPolarHBondContact O-CG1 3.47Å; F155-I159 PolarHBondContact O-N 3.44Å; F155-T461 HydrophobicContact CE2-CG2 3.83Å; F155-T461 HydrophobicContact CZ-CG2 3.54Å; F155-I464 HydrophobicContact CD2-CB 4.23Å; F155-I464 HydrophobicContact CD2-CG2 3.59Å; F155-I464 HydrophobicContact CE2-CB 4.36Å; F155-I464 HydrophobicContact CE2-CG2 4.15Å; F155-I464 HydrophobicContact CG-CG2 4.47Å; F155-A465 HydrophobicContact CD1-CB 3.61Å; F155-A465 HydrophobicContact CE1-CB 3.54Å; F155-A465 HydrophobicContact CE2-CB 4.45Å; F155-A465 HydrophobicContact CG-CB 4.14Å; F155-A465 HydrophobicContact CZ-CB 3.99Å
156	A	91.4	Very high	88	Confident	1 Å²	1	19 Å²	19	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-60.4	-39.2	174.5	0	0	0	0	0	111.7	P152 E153 I159 G160 T172 M471 V472 L494	P152-A156 WeakPolarHBondContact O-CB 3.18Å; P152-A156 PolarHBondContact O-N 3.2Å; E153-A156 PolarHBondContact O-N 3.36Å; A156-I159 PolarHBondContact O-N 3.29Å; A156-G160 PolarHBondContact O-N 3.04Å; A156-T172 HydrophobicContact CB-CG2 4.01Å; A156-M471 HydrophobicContact CB-CE 4.3Å; A156-V472 HydrophobicContact CB-CG2 4.21Å; A156-L494 HydrophobicContact CB-CD2 4.23Å
157	S	92.3	Very high	88.4	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-70.6	-40.3	175.7	72.3	0	0	0	0	112.8	E153 L154 F155 I159 G160 V161 G533	E153-S157 PolarHBondContact O-N 3.13Å; L154-S157 PolarHBondContact O-N 3.42Å; L154-S157 PolarHBondContact O-OG 2.85Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 2.89Å; S157-I159 PolarHBondContact O-N 2.65Å; S157-G160 WeakPolarHBondContact O-CA 3.42Å; S157-G160 PolarHBondContact O-N 3.1Å; S157-V161 WeakPolarHBondContact O-CG2 3.48Å; S157-V161 PolarHBondContact O-N 3.02Å; S157-G533 VanDerWaalsContact CB-O 3.31Å; S157-G533 WeakPolarHBondContact CB-O 3.25Å; S157-G533 PolarHBondContact OG-O 3.14Å
158	V	93.3	Very high	88.6	Confident	39 Å²	39	19 Å²	19	24%	0.236	10%	0.101	C	C	.	.	H	α-helix	trans	-56.3	-50	171.4	169.4	0	0	0	0	110.2	L154 F155 G160 V161 F162 P537	L154-V158 HydrophobicContact CD1-CG2 4.44Å; L154-V158 WeakPolarHBondContact O-CG2 3.48Å; L154-V158 PolarHBondContact O-N 2.93Å; F155-V158 PolarHBondContact O-N 3.26Å; V158-G160 VanDerWaalsContact C-N 3.27Å; V158-G160 PolarHBondContact O-N 3.18Å; V158-V161 PolarHBondContact O-N 3.1Å; V158-F162 HydrophobicContact CG1-CD2 3.75Å; V158-F162 HydrophobicContact CG1-CE2 4.26Å; V158-F162 WeakPolarHBondContact O-CB 3.44Å; V158-F162 VanDerWaalsContact O-CD2 3.3Å; V158-F162 WeakPolarHBondContact O-CD2 3.31Å; V158-F162 PolarHBondContact O-N 3.03Å; V158-P537 HydrophobicContact CB-CG 4.48Å; V158-P537 HydrophobicContact CG2-CB 4.41Å; V158-P537 HydrophobicContact CG2-CG 3.69Å
159	I	91.5	Very high	88.7	Confident	10 Å²	10	19 Å²	19	5%	0.051	10%	0.102	C	C	.	.	H	α-helix	trans	-61.3	-39.9	178.1	-69.1	155	0	0	0	110.7	F85 F155 A156 S157 V161 I163 T164 S468 Y469 V472	F85-I159 HydrophobicContact CZ-CG2 4.32Å; F155-I159 WeakPolarHBondContact O-CB 3.38Å; F155-I159 VanDerWaalsContact O-CD1 3.26Å; F155-I159 WeakPolarHBondContact O-CD1 3.44Å; F155-I159 VanDerWaalsContact O-CG1 3.25Å; F155-I159 WeakPolarHBondContact O-CG1 3.47Å; F155-I159 PolarHBondContact O-N 3.44Å; A156-I159 PolarHBondContact O-N 3.29Å; S157-I159 PolarHBondContact O-N 2.65Å; I159-V161 PolarHBondContact O-N 3.42Å; I159-I163 HydrophobicContact CG1-CD1 4.4Å; I159-I163 HydrophobicContact CG2-CB 4.33Å; I159-I163 HydrophobicContact CG2-CD1 4.18Å; I159-I163 WeakPolarHBondContact O-CA 3.48Å; I159-I163 WeakPolarHBondContact O-CB 3.43Å; I159-I163 PolarHBondContact O-N 3.43Å; I159-T164 PolarHBondContact O-N 3.32Å; I159-S468 VanDerWaalsContact CD1-C 3.44Å; I159-Y469 VanDerWaalsContact CD1-CA 3.41Å; I159-Y469 VanDerWaalsContact CD1-N 3.27Å; I159-Y469 HydrophobicContact CG2-CD2 4.49Å; I159-V472 HydrophobicContact CB-CG2 4.47Å; I159-V472 HydrophobicContact CD1-CG2 4.27Å; I159-V472 HydrophobicContact CG2-CB 4.05Å; I159-V472 HydrophobicContact CG2-CG1 3.97Å; I159-V472 HydrophobicContact CG2-CG2 4.16Å
160	G	88.6	Confident	89	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-53.1	-52.3	174	0	0	0	0	0	113	A156 S157 V158 T164 H165 G166	A156-G160 PolarHBondContact O-N 3.04Å; S157-G160 WeakPolarHBondContact O-CA 3.42Å; S157-G160 PolarHBondContact O-N 3.1Å; V158-G160 VanDerWaalsContact C-N 3.27Å; V158-G160 PolarHBondContact O-N 3.18Å; G160-T164 VanDerWaalsContact CA-OG1 3.23Å; G160-T164 WeakPolarHBondContact CA-OG1 3.35Å; G160-T164 PolarHBondContact O-OG1 3.05Å; G160-H165 PolarHBondContact O-N 3.37Å; G160-H165 VanDerWaalsContact O-N 3.08Å; G160-G166 PolarHBondContact O-N 3.23Å
161	V	89.9	Confident	89.1	Confident	11 Å²	11	18.8 Å²	18.8	7%	0.067	10%	0.1	C	C	.	.	I	π-helix	trans	-75.5	-43.3	-175.2	174.7	0	0	0	0	112.7	S157 V158 I159 H165 P537 Q541	S157-V161 WeakPolarHBondContact O-CG2 3.48Å; S157-V161 PolarHBondContact O-N 3.02Å; V158-V161 PolarHBondContact O-N 3.1Å; I159-V161 PolarHBondContact O-N 3.42Å; V161-H165 PolarHBondContact O-ND1 2.91Å; V161-P537 HydrophobicContact CB-CB 4.05Å; V161-P537 HydrophobicContact CG1-CB 4.41Å; V161-P537 HydrophobicContact CG2-CB 3.84Å; V161-Q541 HydrophobicContact CG1-CB 3.79Å; V161-Q541 HydrophobicContact CG1-CG 4.02Å
162	F	89.4	Confident	89.3	Confident	50 Å²	50	18.3 Å²	18.3	22%	0.219	10%	0.097	C	C	.	.	I	π-helix	trans	-89.3	-27.3	-171.6	-75.1	-75.9	0	0	0	114.9	V158 H165 P537 L540 Q541 V545	V158-F162 HydrophobicContact CG1-CD2 3.75Å; V158-F162 HydrophobicContact CG1-CE2 4.26Å; V158-F162 WeakPolarHBondContact O-CB 3.44Å; V158-F162 VanDerWaalsContact O-CD2 3.3Å; V158-F162 WeakPolarHBondContact O-CD2 3.31Å; V158-F162 PolarHBondContact O-N 3.03Å; F162-H165 PolarHBondContact O-CE1 3.36Å; F162-P537 HydrophobicContact CE2-CB 4.47Å; F162-L540 HydrophobicContact CE2-CB 4.36Å; F162-L540 HydrophobicContact CE2-CD2 3.87Å; F162-L540 HydrophobicContact CE2-CG 4.35Å; F162-L540 HydrophobicContact CZ-CB 3.8Å; F162-L540 HydrophobicContact CZ-CD2 3.58Å; F162-L540 HydrophobicContact CZ-CG 3.64Å; F162-Q541 HydrophobicContact CE1-CB 4.01Å; F162-Q541 HydrophobicContact CZ-CB 4Å; F162-V545 HydrophobicContact CD1-CG2 4.39Å; F162-V545 HydrophobicContact CE1-CB 4.29Å; F162-V545 HydrophobicContact CE1-CG2 3.59Å; F162-V545 HydrophobicContact CZ-CG2 4.45Å
163	I	87.9	Confident	89.4	Confident	51 Å²	51	18.1 Å²	18.1	26%	0.262	10%	0.095	S	C	.	.	I	π-helix	trans	-110.9	-58.8	-173.7	-53.5	-173.4	0	0	0	109.8	E84 F85 I159 H165 Y469	E84-I163 WeakPolarHBondContact CB-O 3.33Å; F85-I163 HydrophobicContact CD1-CG2 4.43Å; F85-I163 HydrophobicContact CE1-CG2 4.11Å; F85-I163 HydrophobicContact CZ-CG2 4.48Å; I159-I163 HydrophobicContact CG1-CD1 4.4Å; I159-I163 HydrophobicContact CG2-CB 4.33Å; I159-I163 HydrophobicContact CG2-CD1 4.18Å; I159-I163 WeakPolarHBondContact O-CA 3.48Å; I159-I163 WeakPolarHBondContact O-CB 3.43Å; I159-I163 PolarHBondContact O-N 3.43Å; I163-H165 VanDerWaalsContact C-N 3.28Å; I163-H165 PolarHBondContact O-N 3.21Å; I163-Y469 HydrophobicContact CD1-CD2 3.58Å; I163-Y469 HydrophobicContact CD1-CE2 3.51Å; I163-Y469 HydrophobicContact CG2-CE2 4.38Å
164	T	82.5	Confident	89.4	Confident	7 Å²	7	18.2 Å²	18.2	4%	0.043	10%	0.096	C	C	.	.	I	π-helix	trans	-77.4	-16.6	-174.2	62	0	0	0	0	113.8	A81 F85 I159 G160 G166	A81-T164 HydrophobicContact CB-CG2 4.14Å; F85-T164 HydrophobicContact CD2-CG2 4.39Å; F85-T164 HydrophobicContact CE2-CG2 3.33Å; F85-T164 HydrophobicContact CZ-CG2 3.45Å; F85-T164 VanDerWaalsContact CZ-CG2 3.45Å; I159-T164 PolarHBondContact O-N 3.32Å; G160-T164 VanDerWaalsContact CA-OG1 3.23Å; G160-T164 WeakPolarHBondContact CA-OG1 3.35Å; G160-T164 PolarHBondContact O-OG1 3.05Å; T164-G166 PolarHBondContact O-N 2.95Å
165	H	81.4	Confident	89.4	Confident	100 Å²	100	16.9 Å²	16.9	46%	0.463	9%	0.09	S	C	.	.			trans	45.6	30.9	-173	-62.4	-50.3	0	0	0	113.5	G160 V161 F162 I163	G160-H165 PolarHBondContact O-N 3.37Å; G160-H165 VanDerWaalsContact O-N 3.08Å; V161-H165 PolarHBondContact O-ND1 2.91Å; F162-H165 PolarHBondContact O-CE1 3.36Å; I163-H165 VanDerWaalsContact C-N 3.28Å; I163-H165 PolarHBondContact O-N 3.21Å
166	G	79.1	Confident	89.4	Confident	17 Å²	17	15 Å²	15	18%	0.175	8%	0.082	C	C	.	.	S	Bend	trans	-133.8	171.4	-170.4	0	0	0	0	0	111.6	G160 T164 V168	G160-G166 PolarHBondContact O-N 3.23Å; T164-G166 PolarHBondContact O-N 2.95Å; G166-V168 PolarHBondContact O-N 3.46Å; G166-V168 VanDerWaalsContact O-N 3.1Å
167	D	87.2	Confident	89.4	Confident	10 Å²	10	15 Å²	15	5%	0.053	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	6.1	-171	-60.4	-30.6	0	0	0	113.5	G169 V170 G171 V487 I553 N554 S555	D167-G169 VanDerWaalsContact C-N 3.3Å; D167-G169 PolarHBondContact O-N 3.17Å; D167-V170 PolarHBondContact O-N 3.46Å; D167-G171 PolarHBondContact O-N 3.44Å; D167-V487 HydrophobicContact CB-CG2 3.68Å; D167-I553 WeakPolarHBondContact OD1-CA 3.42Å; D167-N554 PolarHBondContact OD1-N 3.13Å; D167-N554 VanDerWaalsContact OD2-CA 3.31Å; D167-N554 WeakPolarHBondContact OD2-CA 3.39Å; D167-N554 WeakPolarHBondContact OD2-CB 3.44Å; D167-N554 PolarHBondContact OD2-N 3.43Å; D167-S555 WeakPolarHBondContact OD2-CB 3.43Å; D167-S555 PolarHBondContact OD2-N 3.12Å
168	V	88.1	Confident	89.4	Confident	7 Å²	7	15 Å²	15	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-57.9	-43.3	178.1	-171.3	0	0	0	0	111.4	G166 T172 V472 D486 L494	G166-V168 PolarHBondContact O-N 3.46Å; G166-V168 VanDerWaalsContact O-N 3.1Å; V168-T172 WeakPolarHBondContact O-CB 3.48Å; V168-T172 PolarHBondContact O-N 3.5Å; V168-T172 PolarHBondContact O-OG1 2.84Å; V168-V472 HydrophobicContact CG1-CG1 4.42Å; V168-D486 HydrophobicContact CG2-CB 3.37Å; V168-L494 HydrophobicContact CG1-CD2 4.25Å
169	G	89	Confident	89.5	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-64	-45.5	179.3	0	0	0	0	0	112	D167 T172 I173	D167-G169 VanDerWaalsContact C-N 3.3Å; D167-G169 PolarHBondContact O-N 3.17Å; G169-T172 PolarHBondContact O-N 3.4Å; G169-I173 PolarHBondContact O-N 3.29Å
170	V	90.1	Very high	89.5	Confident	6 Å²	6	13.4 Å²	13.4	4%	0.036	7%	0.071	C	C	.	.	H	α-helix	trans	-69.9	-41	179.6	-163.6	0	0	0	0	111.2	D167 T172 I173 V174 I221 L534 W538 L558	D167-V170 PolarHBondContact O-N 3.46Å; V170-T172 VanDerWaalsContact C-N 3.29Å; V170-T172 PolarHBondContact O-N 2.91Å; V170-I173 PolarHBondContact O-N 3.44Å; V170-V174 HydrophobicContact CG1-CG2 4.36Å; V170-V174 WeakPolarHBondContact O-CG2 3.44Å; V170-V174 PolarHBondContact O-N 3.49Å; V170-I221 HydrophobicContact CG1-CD1 4.36Å; V170-L534 HydrophobicContact CB-CD2 4.22Å; V170-L534 HydrophobicContact CG1-CD1 4.05Å; V170-L534 HydrophobicContact CG1-CD2 3.95Å; V170-L534 HydrophobicContact CG2-CD2 4.14Å; V170-W538 HydrophobicContact CG1-CZ2 4.15Å; V170-W538 HydrophobicContact CG2-CZ2 3.76Å; V170-L558 HydrophobicContact CB-CD1 4.44Å; V170-L558 HydrophobicContact CB-CD2 3.85Å; V170-L558 HydrophobicContact CG1-CD1 4.27Å; V170-L558 HydrophobicContact CG1-CD2 3.64Å; V170-L558 HydrophobicContact CG1-CG 4.39Å
171	G	90.8	Very high	89.6	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.9	-40.9	173.4	0	0	0	0	0	112.3	D167 I173 V174 G175 I491	D167-G171 PolarHBondContact O-N 3.44Å; G171-I173 PolarHBondContact O-N 2.9Å; G171-V174 PolarHBondContact O-N 3.04Å; G171-G175 PolarHBondContact O-N 3.41Å; G171-I491 VanDerWaalsContact O-CA 3.3Å; G171-I491 WeakPolarHBondContact O-CA 3.45Å; G171-I491 VanDerWaalsContact O-CG2 3.29Å; G171-I491 WeakPolarHBondContact O-CG2 3.45Å
172	T	93.1	Very high	89.8	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.4	-44.6	177.1	-55.4	0	0	0	0	112	A156 V168 G169 V170 S176 G490 L494	A156-T172 HydrophobicContact CB-CG2 4.01Å; V168-T172 WeakPolarHBondContact O-CB 3.48Å; V168-T172 PolarHBondContact O-N 3.5Å; V168-T172 PolarHBondContact O-OG1 2.84Å; G169-T172 PolarHBondContact O-N 3.4Å; V170-T172 VanDerWaalsContact C-N 3.29Å; V170-T172 PolarHBondContact O-N 2.91Å; T172-S176 VanDerWaalsContact O-CB 3.28Å; T172-S176 WeakPolarHBondContact O-CB 3.45Å; T172-S176 PolarHBondContact O-N 2.95Å; T172-G490 WeakPolarHBondContact CA-O 3.35Å; T172-L494 HydrophobicContact CG2-CB 4.02Å; T172-L494 HydrophobicContact CG2-CD2 4.09Å; T172-L494 HydrophobicContact CG2-CG 4.3Å; T172-L494 WeakPolarHBondContact OG1-CD2 3.36Å
173	I	93.1	Very high	90	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.6	-47.6	177.4	-65.4	-59.3	0	0	0	111.6	E153 G169 V170 G171 G175 S176 A177 D529 I530 L534	E153-I173 HydrophobicContact CB-CD1 3.95Å; G169-I173 PolarHBondContact O-N 3.29Å; V170-I173 PolarHBondContact O-N 3.44Å; G171-I173 PolarHBondContact O-N 2.9Å; I173-G175 VanDerWaalsContact C-N 3.34Å; I173-G175 PolarHBondContact O-N 3.17Å; I173-S176 PolarHBondContact O-N 3.39Å; I173-A177 WeakPolarHBondContact O-CB 3.49Å; I173-A177 PolarHBondContact O-N 3.39Å; I173-D529 HydrophobicContact CD1-CB 4.12Å; I173-D529 HydrophobicContact CG2-CB 4.02Å; I173-D529 WeakPolarHBondContact CG2-O 3.05Å; I173-I530 HydrophobicContact CG2-CG1 4.27Å; I173-L534 HydrophobicContact CB-CD1 4.41Å; I173-L534 HydrophobicContact CB-CD2 3.98Å; I173-L534 HydrophobicContact CB-CG 4.17Å; I173-L534 HydrophobicContact CG1-CD2 3.69Å; I173-L534 HydrophobicContact CG1-CG 4.07Å; I173-L534 HydrophobicContact CG2-CD1 3.92Å; I173-L534 HydrophobicContact CG2-CD2 4.27Å; I173-L534 HydrophobicContact CG2-CG 3.88Å
174	V	92.3	Very high	90.2	Very high	2 Å²	2	9 Å²	9	1%	0.012	5%	0.051	C	C	.	.	H	α-helix	trans	-64.1	-42.4	179.9	175.9	0	0	0	0	110.7	V170 G171 A177 V178 L558 V562 L565	V170-V174 HydrophobicContact CG1-CG2 4.36Å; V170-V174 WeakPolarHBondContact O-CG2 3.44Å; V170-V174 PolarHBondContact O-N 3.49Å; G171-V174 PolarHBondContact O-N 3.04Å; V174-A177 PolarHBondContact O-N 3.28Å; V174-V178 VanDerWaalsContact O-CG2 3.32Å; V174-V178 WeakPolarHBondContact O-CG2 3.43Å; V174-V178 PolarHBondContact O-N 3.13Å; V174-L558 HydrophobicContact CG2-CD1 4.4Å; V174-V562 HydrophobicContact CG1-CG2 4.03Å; V174-V562 HydrophobicContact CG2-CG2 3.61Å; V174-L565 HydrophobicContact CG1-CD2 4.3Å
175	G	92.9	Very high	90.6	Very high	3 Å²	3	9 Å²	9	3%	0.031	5%	0.051	C	C	.	.	H	α-helix	trans	-63.2	-45.5	175.9	0	0	0	0	0	112.9	G171 I173 A177 V178 F179 I491	G171-G175 PolarHBondContact O-N 3.41Å; I173-G175 VanDerWaalsContact C-N 3.34Å; I173-G175 PolarHBondContact O-N 3.17Å; G175-A177 VanDerWaalsContact C-N 3.28Å; G175-A177 PolarHBondContact O-N 2.89Å; G175-V178 PolarHBondContact O-N 2.93Å; G175-F179 WeakPolarHBondContact O-CB 3.46Å; G175-F179 PolarHBondContact O-N 2.94Å; G175-I491 WeakPolarHBondContact CA-O 3.19Å
176	S	92.7	Very high	91.2	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-56.7	-46.6	175.9	169.8	0	0	0	0	109.7	T172 I173 V178 F179 N180 A495 S499 D529	T172-S176 VanDerWaalsContact O-CB 3.28Å; T172-S176 WeakPolarHBondContact O-CB 3.45Å; T172-S176 PolarHBondContact O-N 2.95Å; I173-S176 PolarHBondContact O-N 3.39Å; S176-V178 VanDerWaalsContact C-N 3.29Å; S176-V178 PolarHBondContact O-N 3.37Å; S176-F179 CarbonylContact O-C 3.57Å; S176-F179 WeakPolarHBondContact O-CB 3.33Å; S176-F179 PolarHBondContact O-N 2.96Å; S176-F179 VanDerWaalsContact O-N 3.08Å; S176-N180 VanDerWaalsContact O-CB 3.3Å; S176-N180 WeakPolarHBondContact O-CB 3.41Å; S176-N180 VanDerWaalsContact O-CG 3.22Å; S176-N180 PolarHBondContact O-N 3.22Å; S176-N180 PolarHBondContact OG-ND2 3.47Å; S176-A495 VanDerWaalsContact N-CB 3.26Å; S176-S499 PolarHBondContact OG-OG 2.94Å; S176-S499 VanDerWaalsContact OG-OG 3.11Å; S176-D529 PolarHBondContact OG-OD2 3.02Å
177	A	92.8	Very high	91.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-62.6	-36.4	-178.3	0	0	0	0	0	112.8	I173 V174 G175 I181 Y210 N526 L565	I173-A177 WeakPolarHBondContact O-CB 3.49Å; I173-A177 PolarHBondContact O-N 3.39Å; V174-A177 PolarHBondContact O-N 3.28Å; G175-A177 VanDerWaalsContact C-N 3.28Å; G175-A177 PolarHBondContact O-N 2.89Å; A177-I181 WeakPolarHBondContact O-CG1 3.49Å; A177-I181 PolarHBondContact O-N 3.38Å; A177-I181 VanDerWaalsContact O-N 3.07Å; A177-Y210 WeakPolarHBondContact CB-OH 3.17Å; A177-N526 WeakPolarHBondContact CA-OD1 3.35Å; A177-N526 HydrophobicContact CB-CB 4.43Å; A177-N526 PolarHBondContact O-ND2 3.07Å; A177-L565 HydrophobicContact CB-CD1 4.4Å; A177-L565 HydrophobicContact CB-CD2 4.19Å
178	V	92.9	Very high	92.1	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.006	3%	0.026	C	C	.	.	H	α-helix	trans	-72.8	-41.8	173.7	-178.7	0	0	0	0	111.6	V174 G175 S176 N180 I181 L182 L565 Y595 F598	V174-V178 VanDerWaalsContact O-CG2 3.32Å; V174-V178 WeakPolarHBondContact O-CG2 3.43Å; V174-V178 PolarHBondContact O-N 3.13Å; G175-V178 PolarHBondContact O-N 2.93Å; S176-V178 VanDerWaalsContact C-N 3.29Å; S176-V178 PolarHBondContact O-N 3.37Å; V178-N180 VanDerWaalsContact C-N 3.26Å; V178-N180 PolarHBondContact O-N 3.49Å; V178-I181 PolarHBondContact O-N 3.45Å; V178-L182 HydrophobicContact CG1-CD1 3.49Å; V178-L182 VanDerWaalsContact CG1-CD1 3.49Å; V178-L182 HydrophobicContact CG1-CG 4.06Å; V178-L182 WeakPolarHBondContact O-CB 3.29Å; V178-L182 PolarHBondContact O-N 3.29Å; V178-L565 HydrophobicContact CB-CD1 4.35Å; V178-L565 HydrophobicContact CG2-CB 3.95Å; V178-L565 HydrophobicContact CG2-CD1 3.42Å; V178-L565 VanDerWaalsContact CG2-CD1 3.42Å; V178-L565 HydrophobicContact CG2-CG 4.16Å; V178-Y595 HydrophobicContact CG1-CD2 4.11Å; V178-Y595 HydrophobicContact CG1-CE2 4.28Å; V178-F598 HydrophobicContact CB-CD1 4.35Å; V178-F598 HydrophobicContact CB-CE1 3.98Å; V178-F598 HydrophobicContact CB-CZ 4.23Å; V178-F598 HydrophobicContact CG1-CD1 3.49Å; V178-F598 VanDerWaalsContact CG1-CD1 3.49Å; V178-F598 HydrophobicContact CG1-CD2 4.26Å; V178-F598 HydrophobicContact CG1-CE1 3.63Å; V178-F598 HydrophobicContact CG1-CE2 4.36Å; V178-F598 HydrophobicContact CG1-CG 3.84Å; V178-F598 HydrophobicContact CG1-CZ 4.09Å; V178-F598 HydrophobicContact CG2-CD1 4.36Å; V178-F598 HydrophobicContact CG2-CE1 3.69Å; V178-F598 HydrophobicContact CG2-CE2 3.87Å; V178-F598 HydrophobicContact CG2-CZ 3.43Å; V178-F598 VanDerWaalsContact CG2-CZ 3.43Å
179	F	93.4	Very high	92.3	Very high	15 Å²	15	4.3 Å²	4.3	7%	0.066	3%	0.027	C	C	.	.	I	π-helix	trans	-58.4	-43.3	175.8	-172.1	-85.2	0	0	0	110.5	G175 S176 C183 I184 A496 S499 C503 Y595	G175-F179 WeakPolarHBondContact O-CB 3.46Å; G175-F179 PolarHBondContact O-N 2.94Å; S176-F179 CarbonylContact O-C 3.57Å; S176-F179 WeakPolarHBondContact O-CB 3.33Å; S176-F179 PolarHBondContact O-N 2.96Å; S176-F179 VanDerWaalsContact O-N 3.08Å; F179-C183 HydrophobicContact CD1-CB 4.07Å; F179-C183 HydrophobicContact CD2-CB 3.8Å; F179-C183 HydrophobicContact CE1-CB 4.13Å; F179-C183 HydrophobicContact CE2-CB 3.86Å; F179-C183 HydrophobicContact CG-CB 3.91Å; F179-C183 HydrophobicContact CZ-CB 4.04Å; F179-C183 CarbonylContact O-C 3.59Å; F179-C183 VanDerWaalsContact O-CA 3.24Å; F179-C183 WeakPolarHBondContact O-CA 3.42Å; F179-C183 WeakPolarHBondContact O-CB 3.28Å; F179-C183 PolarHBondContact O-N 2.86Å; F179-I184 HydrophobicContact CD1-CG1 4.11Å; F179-I184 HydrophobicContact CE1-CG1 4.12Å; F179-I184 PolarHBondContact O-N 2.88Å; F179-A496 HydrophobicContact CD2-CB 3.85Å; F179-A496 HydrophobicContact CE2-CB 3.65Å; F179-A496 HydrophobicContact CZ-CB 4.48Å; F179-S499 VanDerWaalsContact CD1-CB 3.48Å; F179-C503 HydrophobicContact CE1-CB 4.22Å; F179-Y595 HydrophobicContact CD2-CE2 4.4Å; F179-Y595 AromaticContact CD2-CZ 3.89Å; F179-Y595 WeakPolarHBondContact CD2-OH 3.25Å
180	N	92.1	Very high	92.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.034	C	C	.	.	I	π-helix	trans	-66.3	-50.8	178.7	-72.9	-4	0	0	0	111.5	S176 V178 L182 I184 S499 T522 N526	S176-N180 VanDerWaalsContact O-CB 3.3Å; S176-N180 WeakPolarHBondContact O-CB 3.41Å; S176-N180 VanDerWaalsContact O-CG 3.22Å; S176-N180 PolarHBondContact O-N 3.22Å; S176-N180 PolarHBondContact OG-ND2 3.47Å; V178-N180 VanDerWaalsContact C-N 3.26Å; V178-N180 PolarHBondContact O-N 3.49Å; N180-L182 PolarHBondContact O-N 3.35Å; N180-I184 HydrophobicContact CB-CD1 4.25Å; N180-I184 WeakPolarHBondContact O-CB 3.23Å; N180-I184 WeakPolarHBondContact OD1-CD1 3.41Å; N180-S499 WeakPolarHBondContact OD1-CB 3.3Å; N180-T522 VanDerWaalsContact C-CG2 3.44Å; N180-T522 HydrophobicContact CB-CG2 3.59Å; N180-T522 WeakPolarHBondContact O-CG2 3.46Å; N180-N526 WeakPolarHBondContact CB-ND2 3.32Å; N180-N526 WeakPolarHBondContact CB-OD1 3.36Å; N180-N526 PolarHBondContact ND2-OD1 2.98Å
181	I	90.9	Very high	92.6	Very high	5 Å²	5	10.3 Å²	10.3	3%	0.026	5%	0.054	C	C	.	.	I	π-helix	trans	-67.4	-36.9	179.7	-68.3	-63.4	0	0	0	112.9	A177 V178 I185 Y210 I523 N526 V569 T572	A177-I181 WeakPolarHBondContact O-CG1 3.49Å; A177-I181 PolarHBondContact O-N 3.38Å; A177-I181 VanDerWaalsContact O-N 3.07Å; V178-I181 PolarHBondContact O-N 3.45Å; I181-I185 WeakPolarHBondContact O-CB 3.09Å; I181-I185 VanDerWaalsContact O-CD1 3.28Å; I181-I185 WeakPolarHBondContact O-CD1 3.49Å; I181-I185 WeakPolarHBondContact O-CG1 3.15Å; I181-Y210 HydrophobicContact CD1-CD1 4.39Å; I181-Y210 HydrophobicContact CD1-CE1 4.15Å; I181-Y210 HydrophobicContact CG1-CE1 3.89Å; I181-I523 HydrophobicContact CD1-CG1 3.98Å; I181-N526 WeakPolarHBondContact CG1-ND2 3.36Å; I181-V569 HydrophobicContact CG1-CG2 4.4Å; I181-V569 HydrophobicContact CG2-CG2 4.42Å; I181-T572 HydrophobicContact CG2-CG2 3.81Å; I181-T572 WeakPolarHBondContact CG2-OG1 3.32Å
182	L	93.6	Very high	92.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-100.6	-58.4	-173.4	-55.9	179.4	0	0	0	112.7	V178 N180 G186 T572 V591 L594 Y595 F598	V178-L182 HydrophobicContact CG1-CD1 3.49Å; V178-L182 VanDerWaalsContact CG1-CD1 3.49Å; V178-L182 HydrophobicContact CG1-CG 4.06Å; V178-L182 WeakPolarHBondContact O-CB 3.29Å; V178-L182 PolarHBondContact O-N 3.29Å; N180-L182 PolarHBondContact O-N 3.35Å; L182-G186 WeakPolarHBondContact O-CA 3.4Å; L182-G186 PolarHBondContact O-N 3.05Å; L182-T572 HydrophobicContact CD2-CG2 3.23Å; L182-V591 VanDerWaalsContact CA-CG1 3.49Å; L182-V591 HydrophobicContact CB-CG1 4.05Å; L182-V591 HydrophobicContact CD2-CG1 3.83Å; L182-V591 WeakPolarHBondContact O-CG1 3.36Å; L182-L594 HydrophobicContact CD1-CG 4.39Å; L182-L594 HydrophobicContact CD2-CB 4.44Å; L182-L594 HydrophobicContact CD2-CD2 3.72Å; L182-L594 HydrophobicContact CD2-CG 4.07Å; L182-Y595 HydrophobicContact CB-CD2 3.93Å; L182-Y595 HydrophobicContact CB-CG 4.18Å; L182-Y595 HydrophobicContact CD1-CD2 4.15Å; L182-F598 HydrophobicContact CD1-CB 4.19Å
183	C	94.3	Very high	92.1	Very high	15 Å²	15	14.6 Å²	14.6	10%	0.101	10%	0.098	C	C	.	.	I	π-helix	trans	-67.5	-51.2	-174.6	-168.5	0	0	0	0	111.6	F179 G186 V187 Y595	F179-C183 HydrophobicContact CD1-CB 4.07Å; F179-C183 HydrophobicContact CD2-CB 3.8Å; F179-C183 HydrophobicContact CE1-CB 4.13Å; F179-C183 HydrophobicContact CE2-CB 3.86Å; F179-C183 HydrophobicContact CG-CB 3.91Å; F179-C183 HydrophobicContact CZ-CB 4.04Å; F179-C183 CarbonylContact O-C 3.59Å; F179-C183 VanDerWaalsContact O-CA 3.24Å; F179-C183 WeakPolarHBondContact O-CA 3.42Å; F179-C183 WeakPolarHBondContact O-CB 3.28Å; F179-C183 PolarHBondContact O-N 2.86Å; C183-G186 PolarHBondContact O-N 3.42Å; C183-V187 WeakPolarHBondContact O-CB 3.07Å; C183-V187 VanDerWaalsContact O-CG2 3.29Å; C183-V187 WeakPolarHBondContact O-CG2 3.45Å; C183-V187 PolarHBondContact O-N 3.22Å; C183-Y595 HydrophobicContact CB-CD1 4.36Å; C183-Y595 HydrophobicContact CB-CE1 4.36Å; C183-Y595 HydrophobicContact CB-CG 4.49Å
184	I	92.5	Very high	91.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	12%	0.117	C	C	.	.	I	π-helix	trans	-62.5	-49.4	-177.2	-60.5	-173.1	0	0	0	111.2	F179 N180 G186 V187 C188 D502 C503 T522	F179-I184 HydrophobicContact CD1-CG1 4.11Å; F179-I184 HydrophobicContact CE1-CG1 4.12Å; F179-I184 PolarHBondContact O-N 2.88Å; N180-I184 HydrophobicContact CB-CD1 4.25Å; N180-I184 WeakPolarHBondContact O-CB 3.23Å; N180-I184 WeakPolarHBondContact OD1-CD1 3.41Å; I184-G186 VanDerWaalsContact C-N 3.28Å; I184-G186 PolarHBondContact O-N 3.08Å; I184-V187 PolarHBondContact O-N 3.22Å; I184-C188 WeakPolarHBondContact O-CB 3.34Å; I184-C188 PolarHBondContact O-N 2.94Å; I184-C188 PolarHBondContact O-SG 3.14Å; I184-D502 HydrophobicContact CD1-CB 3.97Å; I184-C503 HydrophobicContact CD1-CB 4.1Å; I184-C503 HydrophobicContact CG1-CB 3.76Å; I184-T522 HydrophobicContact CB-CG2 4.14Å; I184-T522 HydrophobicContact CD1-CG2 4.19Å; I184-T522 HydrophobicContact CG2-CG2 4.22Å
185	I	91.3	Very high	91.6	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-40.3	177.1	-59.4	-172.7	0	0	0	110.8	I181 C188 G189 L583	I181-I185 WeakPolarHBondContact O-CB 3.09Å; I181-I185 VanDerWaalsContact O-CD1 3.28Å; I181-I185 WeakPolarHBondContact O-CD1 3.49Å; I181-I185 WeakPolarHBondContact O-CG1 3.15Å; I185-C188 PolarHBondContact O-N 2.89Å; I185-G189 PolarHBondContact O-N 3.33Å; I185-L583 HydrophobicContact CG2-CD1 3.83Å
186	G	93.4	Very high	91.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-47.9	176.8	0	0	0	0	0	113.7	L182 C183 I184 G189 L190	L182-G186 WeakPolarHBondContact O-CA 3.4Å; L182-G186 PolarHBondContact O-N 3.05Å; C183-G186 PolarHBondContact O-N 3.42Å; I184-G186 VanDerWaalsContact C-N 3.28Å; I184-G186 PolarHBondContact O-N 3.08Å; G186-G189 PolarHBondContact O-N 3.15Å; G186-L190 WeakPolarHBondContact O-CB 3.49Å; G186-L190 PolarHBondContact O-N 3.42Å
187	V	93.6	Very high	90.9	Very high	24 Å²	24	31.7 Å²	31.7	15%	0.145	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-44	176.5	168.4	0	0	0	0	110.6	C183 I184 G189 L190 F191 L507 L592	C183-V187 WeakPolarHBondContact O-CB 3.07Å; C183-V187 VanDerWaalsContact O-CG2 3.29Å; C183-V187 WeakPolarHBondContact O-CG2 3.45Å; C183-V187 PolarHBondContact O-N 3.22Å; I184-V187 PolarHBondContact O-N 3.22Å; V187-G189 PolarHBondContact O-N 3.05Å; V187-L190 PolarHBondContact O-N 3.32Å; V187-F191 HydrophobicContact CG1-CD2 3.94Å; V187-F191 WeakPolarHBondContact O-CB 3.31Å; V187-F191 PolarHBondContact O-N 3.48Å; V187-L507 HydrophobicContact CG1-CD1 4.47Å; V187-L507 HydrophobicContact CG1-CD2 4.09Å; V187-L592 HydrophobicContact CG2-CD2 4.43Å
188	C	91.4	Very high	90.6	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.027	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-48.3	174.2	-70.1	0	0	0	0	110.9	I184 I185 L190 A192 A510 L583	I184-C188 WeakPolarHBondContact O-CB 3.34Å; I184-C188 PolarHBondContact O-N 2.94Å; I184-C188 PolarHBondContact O-SG 3.14Å; I185-C188 PolarHBondContact O-N 2.89Å; C188-L190 VanDerWaalsContact C-N 3.31Å; C188-L190 PolarHBondContact O-N 3.09Å; C188-A192 WeakPolarHBondContact O-CB 3.34Å; C188-A192 PolarHBondContact O-N 2.87Å; C188-A510 HydrophobicContact CB-CB 4.05Å; C188-L583 HydrophobicContact CB-CD2 4.08Å
189	G	91.2	Very high	90.2	Very high	7 Å²	7	35.2 Å²	35.2	7%	0.072	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-33.6	177	0	0	0	0	0	113.9	I185 G186 V187 R585	I185-G189 PolarHBondContact O-N 3.33Å; G186-G189 PolarHBondContact O-N 3.15Å; V187-G189 PolarHBondContact O-N 3.05Å; G189-R585 VanDerWaalsContact O-CA 3.28Å; G189-R585 WeakPolarHBondContact O-CA 3.3Å; G189-R585 PolarHBondContact O-N 3.38Å
190	L	93.3	Very high	89.7	Confident	30 Å²	30	39.9 Å²	39.9	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-79.8	-38.2	-178.3	-170.5	62.6	0	0	0	113.3	G186 V187 C188 R585 V589 L592	G186-L190 WeakPolarHBondContact O-CB 3.49Å; G186-L190 PolarHBondContact O-N 3.42Å; V187-L190 PolarHBondContact O-N 3.32Å; C188-L190 VanDerWaalsContact C-N 3.31Å; C188-L190 PolarHBondContact O-N 3.09Å; L190-R585 HydrophobicContact CD1-CG 3.69Å; L190-R585 PolarHBondContact O-NH1 2.87Å; L190-V589 HydrophobicContact CD1-CG2 3.98Å; L190-L592 HydrophobicContact CD2-CD1 3.95Å
191	F	92.6	Very high	89.3	Confident	103 Å²	103	42.9 Å²	42.9	45%	0.452	22%	0.223	S	C	.	.	H	α-helix	trans	-119	1	-166.8	-64.8	-72	0	0	0	115.4	V187 G193 L507 R511	V187-F191 HydrophobicContact CG1-CD2 3.94Å; V187-F191 WeakPolarHBondContact O-CB 3.31Å; V187-F191 PolarHBondContact O-N 3.48Å; F191-G193 PolarHBondContact O-N 3.49Å; F191-L507 HydrophobicContact CB-CD1 3.76Å; F191-L507 HydrophobicContact CB-CD2 4.2Å; F191-R511 PolarHBondContact O-NE 3.38Å; F191-R511 PolarHBondContact O-NH2 3.18Å
192	A	88.7	Confident	88.8	Confident	7 Å²	7	43.2 Å²	43.2	6%	0.058	23%	0.227	C	C	.	.	S	Bend	trans	-64.1	-23.2	172.8	0	0	0	0	0	113	C188 Q194 V196 A510	C188-A192 WeakPolarHBondContact O-CB 3.34Å; C188-A192 PolarHBondContact O-N 2.87Å; A192-Q194 PolarHBondContact O-N 3.19Å; A192-Q194 VanDerWaalsContact O-N 3.16Å; A192-V196 HydrophobicContact CB-CG2 4.05Å; A192-A510 HydrophobicContact CB-CB 4.18Å
193	G	85.6	Confident	88.3	Confident	83 Å²	83	43.4 Å²	43.4	86%	0.856	23%	0.228	S	C	*	.	S	Bend	trans	72.6	0.4	177.9	0	0	0	0	0	115	F191	F191-G193 PolarHBondContact O-N 3.49Å
194	Q	87.7	Confident	87.8	Confident	89 Å²	89	44.7 Å²	44.7	42%	0.416	24%	0.237	S	C	.	.	S	Bend	trans	-146.9	161.8	178.1	65.3	-172.6	-17.6	0	0	110.7	A192 V196 A510 R511	A192-Q194 PolarHBondContact O-N 3.19Å; A192-Q194 VanDerWaalsContact O-N 3.16Å; Q194-V196 HydrophobicContact CG-CG2 4.21Å; Q194-V196 PolarHBondContact O-N 3.47Å; Q194-A510 PolarHBondContact NE2-O 3.28Å; Q194-A510 VanDerWaalsContact NE2-O 3.1Å; Q194-R511 VanDerWaalsContact NE2-C 3.26Å; Q194-R511 PolarHBondContact NE2-O 3.24Å
195	V	87.5	Confident	87.4	Confident	79 Å²	79	46 Å²	46	48%	0.479	24%	0.242	S	C	.	.			trans	-78.7	113.1	174.8	-179.8	0	0	0	0	108.9	Q582 D584	V195-Q582 HydrophobicContact CG1-CB 3.97Å; V195-Q582 HydrophobicContact CG1-CG 4.34Å; V195-D584 VanDerWaalsContact CG1-OD1 3.23Å; V195-D584 WeakPolarHBondContact CG1-OD1 3.29Å; V195-D584 VanDerWaalsContact CG2-OD1 3.25Å; V195-D584 WeakPolarHBondContact CG2-OD1 3.36Å
196	V	86.7	Confident	86.9	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.6	-178.9	176.5	0	0	0	0	108.8	A192 Q194 L583	A192-V196 HydrophobicContact CB-CG2 4.05Å; Q194-V196 HydrophobicContact CG-CG2 4.21Å; Q194-V196 PolarHBondContact O-N 3.47Å; V196-L583 HydrophobicContact CB-CB 4.18Å; V196-L583 PolarHBondContact N-O 2.99Å; V196-L583 PolarHBondContact O-N 3.16Å
197	R	84	Confident	86.6	Confident	192 Å²	192	46.4 Å²	46.4	73%	0.725	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.4	178.3	-65.3	-175.8	-178.5	178.9	1.3	109.4
198	L	85.5	Confident	86.3	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.052	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-103.5	142.6	177.6	-69.3	159.1	0	0	0	109.8	V203 D516 V519 I576 W581 L583	L198-V203 HydrophobicContact CB-CG2 4.16Å; L198-V203 HydrophobicContact CD2-CG2 4.31Å; L198-D516 WeakPolarHBondContact CA-OD1 3.49Å; L198-V519 HydrophobicContact CD2-CB 3.97Å; L198-V519 HydrophobicContact CD2-CG2 3.56Å; L198-I576 HydrophobicContact CD1-CG2 4.02Å; L198-W581 PolarHBondContact N-O 3.35Å; L198-W581 WeakPolarHBondContact O-CB 3.49Å; L198-L583 HydrophobicContact CD1-CB 4.09Å
199	T	85.3	Confident	86.1	Confident	66 Å²	66	50.9 Å²	50.9	41%	0.405	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-83.8	127.6	170.2	53.5	0	0	0	0	110.4	W201 A202 V203 D516	T199-W201 PolarHBondContact O-N 2.98Å; T199-A202 PolarHBondContact O-N 3.35Å; T199-A202 WeakPolarHBondContact OG1-CB 3.38Å; T199-V203 PolarHBondContact O-N 3.17Å; T199-D516 WeakPolarHBondContact CB-OD2 3.42Å; T199-D516 WeakPolarHBondContact CG2-OD2 3.31Å; T199-D516 PolarHBondContact N-OD1 3.48Å; T199-D516 VanDerWaalsContact OG1-CG 3.27Å; T199-D516 PolarHBondContact OG1-OD1 2.92Å; T199-D516 PolarHBondContact OG1-OD2 3.42Å
200	W	83.4	Confident	86.1	Confident	113 Å²	113	50.6 Å²	50.6	43%	0.428	26%	0.264	S	S	.	.	H	α-helix	trans	-51.6	-40.5	175.5	163.9	-122.5	0	0	0	112.6	C204 W581	W200-C204 HydrophobicContact CD2-CB 4.16Å; W200-C204 HydrophobicContact CE3-CB 3.78Å; W200-C204 HydrophobicContact CH2-CB 4.48Å; W200-C204 HydrophobicContact CZ3-CB 4.01Å; W200-C204 WeakPolarHBondContact O-CB 3.34Å; W200-C204 PolarHBondContact O-N 3.45Å; W200-W581 HydrophobicContact CB-CD2 3.87Å; W200-W581 HydrophobicContact CB-CE3 4.14Å; W200-W581 HydrophobicContact CB-CG 4.49Å; W200-W581 HydrophobicContact CB-CZ2 4.24Å; W200-W581 AromaticContact CD2-CH2 3.94Å; W200-W581 HydrophobicContact CD2-CH2 3.94Å; W200-W581 AromaticContact CD2-CZ2 3.57Å; W200-W581 HydrophobicContact CD2-CZ2 3.57Å; W200-W581 HydrophobicContact CE3-CD2 4.4Å; W200-W581 AromaticContact CE3-CE2 3.7Å; W200-W581 HydrophobicContact CE3-CE3 4.27Å; W200-W581 AromaticContact CE3-CH2 2.84Å; W200-W581 HydrophobicContact CE3-CH2 2.84Å; W200-W581 AromaticContact CE3-CZ2 2.86Å; W200-W581 HydrophobicContact CE3-CZ2 2.86Å; W200-W581 AromaticContact CE3-CZ3 3.54Å; W200-W581 HydrophobicContact CE3-CZ3 3.54Å; W200-W581 HydrophobicContact CG-CZ2 4.22Å; W200-W581 HydrophobicContact CH2-CH2 4.36Å; W200-W581 HydrophobicContact CH2-CZ2 4.13Å; W200-W581 AromaticContact CZ3-CH2 3.09Å; W200-W581 HydrophobicContact CZ3-CH2 3.09Å; W200-W581 AromaticContact CZ3-CZ2 3.16Å; W200-W581 HydrophobicContact CZ3-CZ2 3.16Å; W200-W581 HydrophobicContact CZ3-CZ3 4.14Å
201	W	82.5	Confident	86	Confident	62 Å²	62	51.2 Å²	51.2	24%	0.235	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-49.6	-177.5	-179.1	-102.8	0	0	0	112.4	T199 R205 M251 Q252 F255	T199-W201 PolarHBondContact O-N 2.98Å; W201-R205 WeakPolarHBondContact O-CB 3.49Å; W201-R205 PolarHBondContact O-N 3.03Å; W201-M251 HydrophobicContact CZ2-CB 4.5Å; W201-Q252 HydrophobicContact CG-CG 4.29Å; W201-Q252 HydrophobicContact CZ2-CB 4.48Å; W201-F255 HydrophobicContact CE3-CB 4.38Å; W201-F255 HydrophobicContact CH2-CB 3.57Å; W201-F255 HydrophobicContact CH2-CD1 4Å; W201-F255 AromaticContact CH2-CD2 3.24Å; W201-F255 HydrophobicContact CH2-CD2 3.24Å; W201-F255 HydrophobicContact CH2-CE1 4.49Å; W201-F255 AromaticContact CH2-CE2 3.82Å; W201-F255 HydrophobicContact CH2-CE2 3.82Å; W201-F255 AromaticContact CH2-CG 3.33Å; W201-F255 HydrophobicContact CH2-CG 3.33Å; W201-F255 HydrophobicContact CH2-CZ 4.41Å; W201-F255 HydrophobicContact CZ2-CB 4.35Å; W201-F255 HydrophobicContact CZ2-CD2 4.07Å; W201-F255 HydrophobicContact CZ2-CG 4.37Å; W201-F255 HydrophobicContact CZ3-CB 3.55Å; W201-F255 AromaticContact CZ3-CD1 3.87Å; W201-F255 HydrophobicContact CZ3-CD1 3.87Å; W201-F255 AromaticContact CZ3-CD2 3.96Å; W201-F255 HydrophobicContact CZ3-CD2 3.96Å; W201-F255 AromaticContact CZ3-CG 3.53Å; W201-F255 HydrophobicContact CZ3-CG 3.53Å
202	A	80.4	Confident	86	Confident	13 Å²	13	49.9 Å²	49.9	11%	0.107	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-49.8	-177.3	0	0	0	0	0	111.4	T199 C204 R205 D206	T199-A202 PolarHBondContact O-N 3.35Å; T199-A202 WeakPolarHBondContact OG1-CB 3.38Å; A202-C204 PolarHBondContact O-N 3.38Å; A202-R205 PolarHBondContact O-N 3.48Å; A202-D206 WeakPolarHBondContact O-CB 3.34Å; A202-D206 PolarHBondContact O-N 2.83Å
203	V	82.9	Confident	86.2	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-44.8	-179.2	179.2	0	0	0	0	111.3	L198 T199 S207 V519 I576 W581	L198-V203 HydrophobicContact CB-CG2 4.16Å; L198-V203 HydrophobicContact CD2-CG2 4.31Å; T199-V203 PolarHBondContact O-N 3.17Å; V203-S207 WeakPolarHBondContact O-CB 3.45Å; V203-S207 PolarHBondContact O-N 3.45Å; V203-S207 PolarHBondContact O-OG 3.12Å; V203-V519 HydrophobicContact CG2-CG1 4.39Å; V203-I576 HydrophobicContact CG1-CD1 4.47Å; V203-W581 HydrophobicContact CB-CZ3 3.96Å; V203-W581 HydrophobicContact CG1-CZ3 4.05Å; V203-W581 HydrophobicContact CG2-CZ3 4.36Å
204	C	84.3	Confident	86.5	Confident	43 Å²	43	45.8 Å²	45.8	29%	0.291	22%	0.224	S	C	.	.	H	α-helix	trans	-66.2	-46.1	-179.5	-174	0	0	0	0	111.7	W200 A202 D206 S207 V208	W200-C204 HydrophobicContact CD2-CB 4.16Å; W200-C204 HydrophobicContact CE3-CB 3.78Å; W200-C204 HydrophobicContact CH2-CB 4.48Å; W200-C204 HydrophobicContact CZ3-CB 4.01Å; W200-C204 WeakPolarHBondContact O-CB 3.34Å; W200-C204 PolarHBondContact O-N 3.45Å; A202-C204 PolarHBondContact O-N 3.38Å; C204-D206 PolarHBondContact O-N 2.79Å; C204-S207 PolarHBondContact O-N 3.36Å; C204-V208 WeakPolarHBondContact O-CB 3.37Å; C204-V208 VanDerWaalsContact O-CG2 3.24Å; C204-V208 WeakPolarHBondContact O-CG2 3.46Å; C204-V208 PolarHBondContact O-N 3.07Å
205	R	83.5	Confident	86.8	Confident	28 Å²	28	45.5 Å²	45.5	11%	0.106	22%	0.224	C	C	.	.	H	α-helix	trans	-55.2	-54.7	176.5	179.2	-163.1	70.2	-146.1	-5.5	111.1	W201 A202 V208 Y209 N248	W201-R205 WeakPolarHBondContact O-CB 3.49Å; W201-R205 PolarHBondContact O-N 3.03Å; A202-R205 PolarHBondContact O-N 3.48Å; R205-V208 PolarHBondContact O-N 2.85Å; R205-Y209 HydrophobicContact CG-CD2 4.12Å; R205-Y209 HydrophobicContact CG-CE2 3.62Å; R205-Y209 WeakPolarHBondContact O-CD2 3.31Å; R205-Y209 PolarHBondContact O-N 2.82Å; R205-N248 WeakPolarHBondContact CD-OD1 3.49Å; R205-N248 PolarHBondContact NH1-ND2 2.74Å; R205-N248 PolarHBondContact NH1-OD1 3.46Å
206	D	82.4	Confident	87.1	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-69.1	-37.8	-174.3	-65.8	-9.9	0	0	0	111	A202 C204 V208 Y209 Y210 S520 I523	A202-D206 WeakPolarHBondContact O-CB 3.34Å; A202-D206 PolarHBondContact O-N 2.83Å; C204-D206 PolarHBondContact O-N 2.79Å; D206-V208 PolarHBondContact O-N 3.14Å; D206-Y209 PolarHBondContact O-N 3.48Å; D206-Y210 WeakPolarHBondContact O-CB 3.43Å; D206-Y210 PolarHBondContact O-N 2.72Å; D206-S520 PolarHBondContact OD2-OG 3.37Å; D206-I523 HydrophobicContact CB-CB 4.1Å; D206-I523 HydrophobicContact CB-CD1 4.02Å; D206-I523 HydrophobicContact CB-CG2 3.66Å
207	S	85.6	Confident	87.4	Confident	12 Å²	12	43.2 Å²	43.2	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-35.7	175.9	-59.5	0	0	0	0	112.9	V203 C204 Y210 T211 V573	V203-S207 WeakPolarHBondContact O-CB 3.45Å; V203-S207 PolarHBondContact O-N 3.45Å; V203-S207 PolarHBondContact O-OG 3.12Å; C204-S207 PolarHBondContact O-N 3.36Å; S207-Y210 PolarHBondContact O-N 3.07Å; S207-T211 VanDerWaalsContact O-CB 3.28Å; S207-T211 WeakPolarHBondContact O-CB 3.31Å; S207-T211 PolarHBondContact O-N 3.44Å; S207-T211 PolarHBondContact O-OG1 2.84Å; S207-V573 WeakPolarHBondContact OG-CG2 3.45Å
208	V	88.6	Confident	87.7	Confident	72 Å²	72	35.6 Å²	35.6	44%	0.436	18%	0.183	S	C	.	.	H	α-helix	trans	-66.2	-46	177.3	166.6	0	0	0	0	110.7	C204 R205 D206 Y210 T211 I212	C204-V208 WeakPolarHBondContact O-CB 3.37Å; C204-V208 VanDerWaalsContact O-CG2 3.24Å; C204-V208 WeakPolarHBondContact O-CG2 3.46Å; C204-V208 PolarHBondContact O-N 3.07Å; R205-V208 PolarHBondContact O-N 2.85Å; D206-V208 PolarHBondContact O-N 3.14Å; V208-Y210 VanDerWaalsContact C-N 3.32Å; V208-Y210 PolarHBondContact O-N 2.95Å; V208-T211 PolarHBondContact O-N 2.87Å; V208-I212 HydrophobicContact CG1-CD1 3.96Å; V208-I212 VanDerWaalsContact O-CG1 3.32Å; V208-I212 WeakPolarHBondContact O-CG1 3.43Å; V208-I212 PolarHBondContact O-N 3.41Å
209	Y	87.5	Confident	88.1	Confident	50 Å²	50	39.4 Å²	39.4	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-40.7	176.9	-68.3	-58.1	0	0	0	112.1	R205 D206 I212 S213 Y241 I244	R205-Y209 HydrophobicContact CG-CD2 4.12Å; R205-Y209 HydrophobicContact CG-CE2 3.62Å; R205-Y209 WeakPolarHBondContact O-CD2 3.31Å; R205-Y209 PolarHBondContact O-N 2.82Å; D206-Y209 PolarHBondContact O-N 3.48Å; Y209-I212 PolarHBondContact O-N 3.46Å; Y209-S213 WeakPolarHBondContact O-CB 3.41Å; Y209-S213 PolarHBondContact O-N 3.05Å; Y209-S213 PolarHBondContact O-OG 3.46Å; Y209-Y241 HydrophobicContact CD2-CD2 4.25Å; Y209-Y241 HydrophobicContact CD2-CE2 4.26Å; Y209-Y241 HydrophobicContact CG-CD2 4.02Å; Y209-Y241 HydrophobicContact CG-CE2 4.36Å; Y209-I244 HydrophobicContact CE1-CD1 3.64Å; Y209-I244 HydrophobicContact CE2-CG2 4.13Å; Y209-I244 WeakPolarHBondContact OH-CG2 3.44Å
210	Y	89.6	Confident	88.4	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-44.4	175.2	-174.4	-124.7	0	0	0	111.9	A177 I181 D206 S207 V208 I212 S213 V214 I523 N526 V527 I530 L565 V569	A177-Y210 WeakPolarHBondContact CB-OH 3.17Å; I181-Y210 HydrophobicContact CD1-CD1 4.39Å; I181-Y210 HydrophobicContact CD1-CE1 4.15Å; I181-Y210 HydrophobicContact CG1-CE1 3.89Å; D206-Y210 WeakPolarHBondContact O-CB 3.43Å; D206-Y210 PolarHBondContact O-N 2.72Å; S207-Y210 PolarHBondContact O-N 3.07Å; V208-Y210 VanDerWaalsContact C-N 3.32Å; V208-Y210 PolarHBondContact O-N 2.95Å; Y210-I212 PolarHBondContact O-N 3.27Å; Y210-S213 WeakPolarHBondContact O-CB 3.32Å; Y210-S213 PolarHBondContact O-N 3.35Å; Y210-S213 VanDerWaalsContact O-N 3.12Å; Y210-V214 HydrophobicContact CD2-CG2 4.33Å; Y210-V214 HydrophobicContact CE1-CG2 4.23Å; Y210-V214 HydrophobicContact CE2-CG2 3.91Å; Y210-V214 WeakPolarHBondContact O-CG2 3.4Å; Y210-V214 PolarHBondContact O-N 3.31Å; Y210-I523 HydrophobicContact CG-CG2 4.49Å; Y210-N526 HydrophobicContact CD2-CB 4.03Å; Y210-N526 HydrophobicContact CE2-CB 3.55Å; Y210-V527 HydrophobicContact CD2-CG2 3.97Å; Y210-V527 HydrophobicContact CG-CG2 4.49Å; Y210-I530 HydrophobicContact CD2-CD1 4.35Å; Y210-I530 HydrophobicContact CE2-CD1 3.49Å; Y210-I530 VanDerWaalsContact CE2-CD1 3.49Å; Y210-L565 VanDerWaalsContact OH-CD1 3.31Å; Y210-L565 WeakPolarHBondContact OH-CD1 3.39Å; Y210-V569 HydrophobicContact CD1-CG1 4.1Å; Y210-V569 HydrophobicContact CD1-CG2 3.78Å; Y210-V569 HydrophobicContact CE1-CG1 4.48Å; Y210-V569 HydrophobicContact CE1-CG2 3.32Å
211	T	91.4	Very high	88.7	Confident	44 Å²	44	31.5 Å²	31.5	27%	0.27	17%	0.17	S	C	.	.	H	α-helix	trans	-58.5	-45	175.7	-60.2	0	0	0	0	111.7	S207 V208 S213 V214 I215 L566	S207-T211 VanDerWaalsContact O-CB 3.28Å; S207-T211 WeakPolarHBondContact O-CB 3.31Å; S207-T211 PolarHBondContact O-N 3.44Å; S207-T211 PolarHBondContact O-OG1 2.84Å; V208-T211 PolarHBondContact O-N 2.87Å; T211-S213 VanDerWaalsContact C-N 3.33Å; T211-S213 PolarHBondContact O-N 3.05Å; T211-V214 PolarHBondContact O-N 3.29Å; T211-I215 HydrophobicContact CG2-CD1 3.89Å; T211-I215 VanDerWaalsContact O-CG1 3.26Å; T211-I215 WeakPolarHBondContact O-CG1 3.11Å; T211-I215 PolarHBondContact O-N 2.91Å; T211-L566 HydrophobicContact CG2-CD1 3.91Å
212	I	92.8	Very high	89	Confident	75 Å²	75	37.3 Å²	37.3	39%	0.385	19%	0.193	S	C	.	.	H	α-helix	trans	-60.9	-44	176.1	-68.3	165.8	0	0	0	110.6	V208 Y209 Y210 V214 I215 V216	V208-I212 HydrophobicContact CG1-CD1 3.96Å; V208-I212 VanDerWaalsContact O-CG1 3.32Å; V208-I212 WeakPolarHBondContact O-CG1 3.43Å; V208-I212 PolarHBondContact O-N 3.41Å; Y209-I212 PolarHBondContact O-N 3.46Å; Y210-I212 PolarHBondContact O-N 3.27Å; I212-V214 PolarHBondContact O-N 3.14Å; I212-I215 PolarHBondContact O-N 3.08Å; I212-V216 WeakPolarHBondContact O-CG2 3.27Å; I212-V216 PolarHBondContact O-N 3.36Å
213	S	92.6	Very high	89.4	Confident	4 Å²	4	40.5 Å²	40.5	3%	0.028	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-42.9	179.7	-54.5	0	0	0	0	111.8	Y209 Y210 T211 V216 L217	Y209-S213 WeakPolarHBondContact O-CB 3.41Å; Y209-S213 PolarHBondContact O-N 3.05Å; Y209-S213 PolarHBondContact O-OG 3.46Å; Y210-S213 WeakPolarHBondContact O-CB 3.32Å; Y210-S213 PolarHBondContact O-N 3.35Å; Y210-S213 VanDerWaalsContact O-N 3.12Å; T211-S213 VanDerWaalsContact C-N 3.33Å; T211-S213 PolarHBondContact O-N 3.05Å; S213-V216 PolarHBondContact O-N 3.31Å; S213-L217 WeakPolarHBondContact O-CB 3.4Å; S213-L217 PolarHBondContact O-N 3.13Å
214	V	92.9	Very high	89.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-40.1	176.2	175.7	0	0	0	0	111.7	Y210 T211 I212 L217 I218 I530 V562 L565 L566	Y210-V214 HydrophobicContact CD2-CG2 4.33Å; Y210-V214 HydrophobicContact CE1-CG2 4.23Å; Y210-V214 HydrophobicContact CE2-CG2 3.91Å; Y210-V214 WeakPolarHBondContact O-CG2 3.4Å; Y210-V214 PolarHBondContact O-N 3.31Å; T211-V214 PolarHBondContact O-N 3.29Å; I212-V214 PolarHBondContact O-N 3.14Å; V214-L217 WeakPolarHBondContact O-CB 3.22Å; V214-L217 PolarHBondContact O-N 3.37Å; V214-I218 HydrophobicContact CG1-CD1 4.07Å; V214-I218 HydrophobicContact CG1-CG1 4.49Å; V214-I218 WeakPolarHBondContact O-CG1 3.35Å; V214-I218 PolarHBondContact O-N 2.9Å; V214-I530 HydrophobicContact CG2-CD1 3.66Å; V214-V562 HydrophobicContact CG1-CG1 4.05Å; V214-L565 HydrophobicContact CG2-CD2 4.24Å; V214-L566 HydrophobicContact CB-CD1 4.39Å; V214-L566 HydrophobicContact CG1-CB 3.96Å; V214-L566 HydrophobicContact CG1-CD1 4.1Å
215	I	93.4	Very high	89.8	Confident	83 Å²	83	45.9 Å²	45.9	43%	0.426	23%	0.229	S	C	.	.	H	α-helix	trans	-62.3	-45.4	176.7	-71	166.5	0	0	0	110.9	T211 I212 L217 I218 V219 L566	T211-I215 HydrophobicContact CG2-CD1 3.89Å; T211-I215 VanDerWaalsContact O-CG1 3.26Å; T211-I215 WeakPolarHBondContact O-CG1 3.11Å; T211-I215 PolarHBondContact O-N 2.91Å; I212-I215 PolarHBondContact O-N 3.08Å; I215-L217 VanDerWaalsContact C-N 3.29Å; I215-L217 PolarHBondContact O-N 3.43Å; I215-I218 PolarHBondContact O-N 3.29Å; I215-V219 WeakPolarHBondContact O-CG2 3.29Å; I215-V219 PolarHBondContact O-N 2.87Å; I215-V219 VanDerWaalsContact O-N 3.09Å; I215-L566 HydrophobicContact CG1-CD1 4.5Å; I215-L566 HydrophobicContact CG1-CD2 4.44Å
216	V	93.9	Very high	90.1	Very high	33 Å²	33	44.5 Å²	44.5	20%	0.2	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-42.2	176.4	171.2	0	0	0	0	110.5	I212 S213 I218 V219 F220 L234 L237	I212-V216 WeakPolarHBondContact O-CG2 3.27Å; I212-V216 PolarHBondContact O-N 3.36Å; S213-V216 PolarHBondContact O-N 3.31Å; V216-I218 PolarHBondContact O-N 2.87Å; V216-V219 PolarHBondContact O-N 3.28Å; V216-F220 HydrophobicContact CG1-CD2 3.92Å; V216-F220 HydrophobicContact CG1-CE1 4.28Å; V216-F220 HydrophobicContact CG1-CE2 3.32Å; V216-F220 HydrophobicContact CG1-CZ 3.53Å; V216-F220 WeakPolarHBondContact O-CG 3.19Å; V216-F220 PolarHBondContact O-N 3.41Å; V216-F220 VanDerWaalsContact O-N 3.13Å; V216-L234 HydrophobicContact CG1-CD2 3.97Å; V216-L237 HydrophobicContact CB-CD2 4.47Å; V216-L237 HydrophobicContact CG2-CD2 4.2Å
217	L	92.2	Very high	90.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-43.8	175.3	-175.8	66.4	0	0	0	112.5	S213 V214 I215 V219 F220 I221 I530 L534 W538 V562	S213-L217 WeakPolarHBondContact O-CB 3.4Å; S213-L217 PolarHBondContact O-N 3.13Å; V214-L217 WeakPolarHBondContact O-CB 3.22Å; V214-L217 PolarHBondContact O-N 3.37Å; I215-L217 VanDerWaalsContact C-N 3.29Å; I215-L217 PolarHBondContact O-N 3.43Å; L217-V219 VanDerWaalsContact C-N 3.3Å; L217-V219 PolarHBondContact O-N 2.84Å; L217-F220 PolarHBondContact O-N 3.48Å; L217-I221 HydrophobicContact CD1-CD1 3.71Å; L217-I221 HydrophobicContact CD1-CG1 4.12Å; L217-I221 HydrophobicContact CD2-CD1 4.3Å; L217-I221 HydrophobicContact CG-CD1 3.72Å; L217-I221 HydrophobicContact CG-CG1 4.35Å; L217-I221 WeakPolarHBondContact O-CG1 3.31Å; L217-I221 PolarHBondContact O-N 2.87Å; L217-I530 HydrophobicContact CB-CG2 4.25Å; L217-I530 HydrophobicContact CD2-CD1 4.48Å; L217-I530 HydrophobicContact CD2-CG2 4.06Å; L217-L534 HydrophobicContact CD1-CD1 3.63Å; L217-L534 HydrophobicContact CD2-CD1 4.07Å; L217-W538 HydrophobicContact CD1-CH2 3.7Å; L217-W538 HydrophobicContact CD1-CZ3 3.9Å; L217-V562 HydrophobicContact CD2-CG1 4.01Å; L217-V562 HydrophobicContact CD2-CG2 4.37Å; L217-V562 HydrophobicContact CG-CG1 4.41Å
218	I	91.9	Very high	90.8	Very high	32 Å²	32	51.4 Å²	51.4	16%	0.164	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-42.6	177.2	-69.3	166	0	0	0	110.8	V214 I215 V216 F220 I221 Y222 V562 V563 L566	V214-I218 HydrophobicContact CG1-CD1 4.07Å; V214-I218 HydrophobicContact CG1-CG1 4.49Å; V214-I218 WeakPolarHBondContact O-CG1 3.35Å; V214-I218 PolarHBondContact O-N 2.9Å; I215-I218 PolarHBondContact O-N 3.29Å; V216-I218 PolarHBondContact O-N 2.87Å; I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 PolarHBondContact O-N 2.9Å; I218-I221 PolarHBondContact O-N 3.03Å; I218-Y222 WeakPolarHBondContact O-CB 3.32Å; I218-Y222 PolarHBondContact O-N 2.94Å; I218-Y222 VanDerWaalsContact O-N 3.16Å; I218-V562 HydrophobicContact CD1-CG1 4.22Å; I218-V562 HydrophobicContact CG1-CB 4.31Å; I218-V562 HydrophobicContact CG1-CG1 3.5Å; I218-V562 VanDerWaalsContact CG1-CG1 3.5Å; I218-V563 HydrophobicContact CD1-CG2 4.15Å; I218-V563 HydrophobicContact CG1-CG2 4.47Å; I218-V563 HydrophobicContact CG2-CG2 4.49Å; I218-L566 HydrophobicContact CD1-CB 4.45Å; I218-L566 HydrophobicContact CD1-CD2 4.08Å
219	V	92.8	Very high	90.9	Very high	91 Å²	91	53.7 Å²	53.7	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-62.3	-42.1	179.2	172.7	0	0	0	0	111.1	I215 V216 L217 Y222	I215-V219 WeakPolarHBondContact O-CG2 3.29Å; I215-V219 PolarHBondContact O-N 2.87Å; I215-V219 VanDerWaalsContact O-N 3.09Å; V216-V219 PolarHBondContact O-N 3.28Å; L217-V219 VanDerWaalsContact C-N 3.3Å; L217-V219 PolarHBondContact O-N 2.84Å; V219-Y222 WeakPolarHBondContact O-CB 3.19Å
220	F	91.8	Very high	91.2	Very high	12 Å²	12	51.7 Å²	51.7	5%	0.053	25%	0.245	C	C	.	.	H	α-helix	trans	-74.3	-32.3	-179.3	-61.9	-19.6	0	0	0	113.6	V216 L217 I218 Y222 D223 I226 W229 E230 V233 L234	V216-F220 HydrophobicContact CG1-CD2 3.92Å; V216-F220 HydrophobicContact CG1-CE1 4.28Å; V216-F220 HydrophobicContact CG1-CE2 3.32Å; V216-F220 HydrophobicContact CG1-CZ 3.53Å; V216-F220 WeakPolarHBondContact O-CG 3.19Å; V216-F220 PolarHBondContact O-N 3.41Å; V216-F220 VanDerWaalsContact O-N 3.13Å; L217-F220 PolarHBondContact O-N 3.48Å; I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 PolarHBondContact O-N 2.9Å; F220-Y222 VanDerWaalsContact C-N 3.3Å; F220-D223 VanDerWaalsContact O-OD1 3.1Å; F220-I226 HydrophobicContact CB-CD1 4.06Å; F220-I226 VanDerWaalsContact O-CD1 3.25Å; F220-I226 WeakPolarHBondContact O-CD1 3.4Å; F220-W229 AromaticContact CE1-CH2 3.97Å; F220-W229 HydrophobicContact CE1-CH2 3.97Å; F220-W229 AromaticContact CE1-CZ3 3.76Å; F220-W229 HydrophobicContact CE1-CZ3 3.76Å; F220-W229 HydrophobicContact CZ-CZ3 4.12Å; F220-E230 HydrophobicContact CB-CG 4.49Å; F220-E230 HydrophobicContact CD1-CB 4.15Å; F220-E230 HydrophobicContact CD1-CG 3.63Å; F220-E230 WeakPolarHBondContact CD1-OE1 3.23Å; F220-E230 HydrophobicContact CD2-CB 3.81Å; F220-E230 HydrophobicContact CD2-CG 4.23Å; F220-E230 HydrophobicContact CE1-CB 4.28Å; F220-E230 HydrophobicContact CE1-CG 3.78Å; F220-E230 HydrophobicContact CE2-CB 3.92Å; F220-E230 HydrophobicContact CE2-CG 4.34Å; F220-E230 HydrophobicContact CG-CB 3.93Å; F220-E230 HydrophobicContact CG-CG 3.89Å; F220-E230 HydrophobicContact CZ-CB 4.16Å; F220-E230 HydrophobicContact CZ-CG 4.13Å; F220-V233 HydrophobicContact CE2-CB 4.35Å; F220-V233 HydrophobicContact CE2-CG1 4.21Å; F220-V233 HydrophobicContact CZ-CB 4.05Å; F220-V233 HydrophobicContact CZ-CG1 3.79Å; F220-L234 HydrophobicContact CD2-CD1 4.41Å; F220-L234 HydrophobicContact CD2-CD2 4.1Å; F220-L234 HydrophobicContact CD2-CG 4.16Å; F220-L234 HydrophobicContact CE2-CD2 3.88Å; F220-L234 HydrophobicContact CE2-CG 3.92Å
221	I	90	Very high	91.3	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-78.4	-18.9	178.2	-63.3	179.7	0	0	0	111.1	V170 L217 I218 D223 E224 W538 I553 L558 V559 V562	V170-I221 HydrophobicContact CG1-CD1 4.36Å; L217-I221 HydrophobicContact CD1-CD1 3.71Å; L217-I221 HydrophobicContact CD1-CG1 4.12Å; L217-I221 HydrophobicContact CD2-CD1 4.3Å; L217-I221 HydrophobicContact CG-CD1 3.72Å; L217-I221 HydrophobicContact CG-CG1 4.35Å; L217-I221 WeakPolarHBondContact O-CG1 3.31Å; L217-I221 PolarHBondContact O-N 2.87Å; I218-I221 PolarHBondContact O-N 3.03Å; I221-D223 VanDerWaalsContact C-N 3.31Å; I221-D223 PolarHBondContact O-N 2.89Å; I221-E224 PolarHBondContact O-N 3.36Å; I221-E224 VanDerWaalsContact O-N 3.1Å; I221-W538 HydrophobicContact CD1-CH2 4.41Å; I221-W538 HydrophobicContact CG1-CH2 4.28Å; I221-I553 HydrophobicContact CB-CD1 3.99Å; I221-I553 HydrophobicContact CD1-CD1 4.39Å; I221-I553 HydrophobicContact CG1-CD1 3.7Å; I221-I553 HydrophobicContact CG2-CD1 3.64Å; I221-L558 HydrophobicContact CD1-CD2 4.43Å; I221-V559 HydrophobicContact CG2-CG2 3.52Å; I221-V562 HydrophobicContact CD1-CG2 4.22Å
222	Y	88.4	Confident	91.3	Very high	183 Å²	183	52.6 Å²	52.6	72%	0.718	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.2	-172	-174	-97.5	0	0	0	114.6	I218 V219 F220 E224	I218-Y222 WeakPolarHBondContact O-CB 3.32Å; I218-Y222 PolarHBondContact O-N 2.94Å; I218-Y222 VanDerWaalsContact O-N 3.16Å; V219-Y222 WeakPolarHBondContact O-CB 3.19Å; F220-Y222 VanDerWaalsContact C-N 3.3Å; Y222-E224 VanDerWaalsContact C-N 3.35Å
223	D	89.2	Confident	91.4	Very high	81 Å²	81	51.6 Å²	51.6	43%	0.433	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5.1	-179.8	70.1	-4.6	0	0	0	113.8	F220 I221 Q225	F220-D223 VanDerWaalsContact O-OD1 3.1Å; I221-D223 VanDerWaalsContact C-N 3.31Å; I221-D223 PolarHBondContact O-N 2.89Å; D223-Q225 PolarHBondContact O-N 3.19Å; D223-Q225 VanDerWaalsContact O-N 3.08Å; D223-Q225 PolarHBondContact OD1-N 3.22Å
224	E	86.6	Confident	91.5	Very high	69 Å²	69	51.4 Å²	51.4	32%	0.322	24%	0.244	S	C	.	.	S	Bend	trans	60	9.9	-179	-55.9	169.8	-178.8	0	0	113.9	I221 Y222 K552 I553 R556	I221-E224 PolarHBondContact O-N 3.36Å; I221-E224 VanDerWaalsContact O-N 3.1Å; Y222-E224 VanDerWaalsContact C-N 3.35Å; E224-K552 WeakPolarHBondContact O-CA 3.31Å; E224-I553 PolarHBondContact O-N 3Å; E224-R556 VanDerWaalsContact OE1-CG 3.29Å; E224-R556 WeakPolarHBondContact OE1-CG 3.32Å; E224-R556 IonicContact OE1-CZ 2.66Å; E224-R556 IonicContact OE1-NE 3.2Å; E224-R556 PolarHBondContact OE1-NE 3.43Å; E224-R556 IonicContact OE1-NH2 3.02Å; E224-R556 PolarHBondContact OE1-NH2 3.48Å
225	Q	88.6	Confident	91.4	Very high	89 Å²	89	54.3 Å²	54.3	42%	0.416	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	104.1	-174	-68	-172.2	43.7	0	0	112.6	D223 V227	D223-Q225 PolarHBondContact O-N 3.19Å; D223-Q225 VanDerWaalsContact O-N 3.08Å; D223-Q225 PolarHBondContact OD1-N 3.22Å; Q225-V227 PolarHBondContact O-N 3.47Å
226	I	90.4	Very high	91.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.8	177.3	-50.9	-60.1	0	0	0	111	F220 E230 W538 T550 V551 I553	F220-I226 HydrophobicContact CB-CD1 4.06Å; F220-I226 VanDerWaalsContact O-CD1 3.25Å; F220-I226 WeakPolarHBondContact O-CD1 3.4Å; I226-E230 VanDerWaalsContact CA-OE2 3.25Å; I226-E230 WeakPolarHBondContact CA-OE2 3.31Å; I226-E230 HydrophobicContact CG2-CB 4.31Å; I226-W538 HydrophobicContact CB-CD2 4.45Å; I226-W538 HydrophobicContact CD1-CE3 4.39Å; I226-W538 HydrophobicContact CD1-CH2 4.09Å; I226-W538 HydrophobicContact CD1-CZ3 4.02Å; I226-W538 HydrophobicContact CG1-CD2 4.18Å; I226-W538 HydrophobicContact CG1-CE3 4.25Å; I226-W538 HydrophobicContact CG1-CH2 4.23Å; I226-W538 HydrophobicContact CG1-CZ2 4.18Å; I226-W538 HydrophobicContact CG1-CZ3 4.27Å; I226-W538 HydrophobicContact CG2-CB 3.99Å; I226-W538 HydrophobicContact CG2-CD2 3.84Å; I226-W538 HydrophobicContact CG2-CE3 3.74Å; I226-W538 HydrophobicContact CG2-CG 3.98Å; I226-W538 HydrophobicContact CG2-CZ3 4.41Å; I226-T550 WeakPolarHBondContact O-CA 3.34Å; I226-V551 HydrophobicContact CB-CB 4.24Å; I226-V551 PolarHBondContact N-O 2.92Å; I226-V551 PolarHBondContact O-N 3.29Å; I226-I553 HydrophobicContact CD1-CD1 4.04Å; I226-I553 HydrophobicContact CG1-CD1 4.02Å; I226-I553 HydrophobicContact CG1-CG1 4.4Å
227	V	91.6	Very high	91.4	Very high	34 Å²	34	55.3 Å²	55.3	21%	0.206	26%	0.263	C	S	.	.			trans	-100.7	162.7	176.5	-68.6	0	0	0	0	111.8	Q225 W229 E230 T550	Q225-V227 PolarHBondContact O-N 3.47Å; V227-W229 VanDerWaalsContact C-N 3.29Å; V227-W229 VanDerWaalsContact CG2-CD1 3.47Å; V227-W229 HydrophobicContact CG2-CD2 4.16Å; V227-W229 HydrophobicContact CG2-CG 4.11Å; V227-W229 HydrophobicContact CG2-CZ2 4.03Å; V227-W229 PolarHBondContact O-N 3.18Å; V227-E230 HydrophobicContact CG2-CB 4.39Å; V227-E230 VanDerWaalsContact CG2-CD 3.47Å; V227-E230 HydrophobicContact CG2-CG 3.63Å; V227-E230 WeakPolarHBondContact CG2-OE2 3.48Å; V227-E230 PolarHBondContact N-OE2 3.15Å; V227-E230 WeakPolarHBondContact O-CB 3.41Å; V227-E230 PolarHBondContact O-N 2.92Å; V227-E230 VanDerWaalsContact O-N 3.13Å; V227-T550 HydrophobicContact CG1-CG2 3.76Å
228	W	90.3	Very high	91.3	Very high	126 Å²	126	56.5 Å²	56.5	48%	0.477	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-33.9	-173.5	69.2	-90.4	0	0	0	115	E230 L232 T542 M543	W228-E230 VanDerWaalsContact C-N 3.32Å; W228-L232 HydrophobicContact CZ3-CD2 4.46Å; W228-L232 PolarHBondContact O-N 3.42Å; W228-T542 VanDerWaalsContact CA-OG1 3.24Å; W228-T542 WeakPolarHBondContact CA-OG1 3.46Å; W228-T542 WeakPolarHBondContact CB-OG1 3.38Å; W228-M543 HydrophobicContact CB-CG 3.86Å
229	W	91.8	Very high	91.2	Very high	120 Å²	120	58.7 Å²	58.7	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-73.8	-26	-178.6	67	-98.9	0	0	0	112	F220 V227 L232 V233	F220-W229 AromaticContact CE1-CH2 3.97Å; F220-W229 HydrophobicContact CE1-CH2 3.97Å; F220-W229 AromaticContact CE1-CZ3 3.76Å; F220-W229 HydrophobicContact CE1-CZ3 3.76Å; F220-W229 HydrophobicContact CZ-CZ3 4.12Å; V227-W229 VanDerWaalsContact C-N 3.29Å; V227-W229 VanDerWaalsContact CG2-CD1 3.47Å; V227-W229 HydrophobicContact CG2-CD2 4.16Å; V227-W229 HydrophobicContact CG2-CG 4.11Å; V227-W229 HydrophobicContact CG2-CZ2 4.03Å; V227-W229 PolarHBondContact O-N 3.18Å; W229-L232 WeakPolarHBondContact O-CB 3.12Å; W229-L232 PolarHBondContact O-N 3.06Å; W229-V233 HydrophobicContact CE3-CG2 4Å; W229-V233 HydrophobicContact CZ3-CG2 4.42Å; W229-V233 WeakPolarHBondContact O-CB 3.43Å; W229-V233 VanDerWaalsContact O-CG2 3.24Å; W229-V233 WeakPolarHBondContact O-CG2 3.26Å; W229-V233 PolarHBondContact O-N 3.48Å
230	E	92.8	Very high	91.1	Very high	7 Å²	7	59.8 Å²	59.8	3%	0.033	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-44.7	176.6	-67.9	173.6	149.2	0	0	110.8	F220 I226 V227 W228 L232 V233 L234	F220-E230 HydrophobicContact CB-CG 4.49Å; F220-E230 HydrophobicContact CD1-CB 4.15Å; F220-E230 HydrophobicContact CD1-CG 3.63Å; F220-E230 WeakPolarHBondContact CD1-OE1 3.23Å; F220-E230 HydrophobicContact CD2-CB 3.81Å; F220-E230 HydrophobicContact CD2-CG 4.23Å; F220-E230 HydrophobicContact CE1-CB 4.28Å; F220-E230 HydrophobicContact CE1-CG 3.78Å; F220-E230 HydrophobicContact CE2-CB 3.92Å; F220-E230 HydrophobicContact CE2-CG 4.34Å; F220-E230 HydrophobicContact CG-CB 3.93Å; F220-E230 HydrophobicContact CG-CG 3.89Å; F220-E230 HydrophobicContact CZ-CB 4.16Å; F220-E230 HydrophobicContact CZ-CG 4.13Å; I226-E230 VanDerWaalsContact CA-OE2 3.25Å; I226-E230 WeakPolarHBondContact CA-OE2 3.31Å; I226-E230 HydrophobicContact CG2-CB 4.31Å; V227-E230 HydrophobicContact CG2-CB 4.39Å; V227-E230 VanDerWaalsContact CG2-CD 3.47Å; V227-E230 HydrophobicContact CG2-CG 3.63Å; V227-E230 WeakPolarHBondContact CG2-OE2 3.48Å; V227-E230 PolarHBondContact N-OE2 3.15Å; V227-E230 WeakPolarHBondContact O-CB 3.41Å; V227-E230 PolarHBondContact O-N 2.92Å; V227-E230 VanDerWaalsContact O-N 3.13Å; W228-E230 VanDerWaalsContact C-N 3.32Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 3.29Å; E230-V233 PolarHBondContact O-N 2.82Å; E230-V233 VanDerWaalsContact O-N 3.17Å; E230-L234 WeakPolarHBondContact O-CG 3.43Å; E230-L234 PolarHBondContact O-N 3.35Å
231	G	91.6	Very high	90.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-41.6	171.7	0	0	0	0	0	112.4	L234 I235	G231-L234 PolarHBondContact O-N 2.7Å; G231-I235 WeakPolarHBondContact O-CG1 3.12Å; G231-I235 PolarHBondContact O-N 3.24Å
232	L	92.1	Very high	90.5	Very high	65 Å²	65	62 Å²	62	34%	0.34	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-42.9	174.7	-169.7	89.6	0	0	0	112	W228 W229 E230 L234 I235 I236 M543	W228-L232 HydrophobicContact CZ3-CD2 4.46Å; W228-L232 PolarHBondContact O-N 3.42Å; W229-L232 WeakPolarHBondContact O-CB 3.12Å; W229-L232 PolarHBondContact O-N 3.06Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-L232 PolarHBondContact O-N 3.29Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.29Å; L232-I235 PolarHBondContact O-N 3.19Å; L232-I236 HydrophobicContact CD2-CD1 3.86Å; L232-I236 HydrophobicContact CG-CD1 3.88Å; L232-I236 HydrophobicContact CG-CG1 4.49Å; L232-I236 VanDerWaalsContact O-CG1 3.31Å; L232-I236 WeakPolarHBondContact O-CG1 3Å; L232-I236 PolarHBondContact O-N 3.04Å; L232-M543 HydrophobicContact CD1-CE 4.39Å; L232-M543 HydrophobicContact CD1-SD 4.27Å
233	V	94.9	Very high	90.3	Very high	54 Å²	54	57.4 Å²	57.4	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-41.3	178.8	167.5	0	0	0	0	111.1	F220 W229 E230 I235 I236 L237	F220-V233 HydrophobicContact CE2-CB 4.35Å; F220-V233 HydrophobicContact CE2-CG1 4.21Å; F220-V233 HydrophobicContact CZ-CB 4.05Å; F220-V233 HydrophobicContact CZ-CG1 3.79Å; W229-V233 HydrophobicContact CE3-CG2 4Å; W229-V233 HydrophobicContact CZ3-CG2 4.42Å; W229-V233 WeakPolarHBondContact O-CB 3.43Å; W229-V233 VanDerWaalsContact O-CG2 3.24Å; W229-V233 WeakPolarHBondContact O-CG2 3.26Å; W229-V233 PolarHBondContact O-N 3.48Å; E230-V233 PolarHBondContact O-N 2.82Å; E230-V233 VanDerWaalsContact O-N 3.17Å; V233-I235 PolarHBondContact O-N 2.95Å; V233-I236 PolarHBondContact O-N 3.28Å; V233-L237 WeakPolarHBondContact O-CB 3.08Å; V233-L237 PolarHBondContact O-N 3.27Å
234	L	93.8	Very high	90	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-44.8	175.5	-67.1	176.4	0	0	0	111.8	V216 F220 E230 G231 L232 L237 Y238 L531 W538	V216-L234 HydrophobicContact CG1-CD2 3.97Å; F220-L234 HydrophobicContact CD2-CD1 4.41Å; F220-L234 HydrophobicContact CD2-CD2 4.1Å; F220-L234 HydrophobicContact CD2-CG 4.16Å; F220-L234 HydrophobicContact CE2-CD2 3.88Å; F220-L234 HydrophobicContact CE2-CG 3.92Å; E230-L234 WeakPolarHBondContact O-CG 3.43Å; E230-L234 PolarHBondContact O-N 3.35Å; G231-L234 PolarHBondContact O-N 2.7Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.29Å; L234-L237 PolarHBondContact O-N 2.8Å; L234-Y238 PolarHBondContact O-N 3.01Å; L234-L531 WeakPolarHBondContact CB-O 3.46Å; L234-L531 HydrophobicContact CD2-CD2 3.88Å; L234-W538 HydrophobicContact CD1-CE3 3.77Å; L234-W538 HydrophobicContact CD1-CZ3 3.77Å
235	I	92.4	Very high	89.6	Confident	60 Å²	60	51.9 Å²	51.9	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-43.1	177.5	-63	167.6	0	0	0	111.1	G231 L232 V233 L237 Y238 V239 V536	G231-I235 WeakPolarHBondContact O-CG1 3.12Å; G231-I235 PolarHBondContact O-N 3.24Å; L232-I235 PolarHBondContact O-N 3.19Å; V233-I235 PolarHBondContact O-N 2.95Å; I235-L237 VanDerWaalsContact C-N 3.32Å; I235-L237 PolarHBondContact O-N 3.32Å; I235-Y238 WeakPolarHBondContact O-CB 3.21Å; I235-Y238 PolarHBondContact O-N 3.25Å; I235-V239 PolarHBondContact O-N 2.95Å; I235-V536 HydrophobicContact CD1-CG2 4.12Å; I235-V536 HydrophobicContact CG1-CG2 4.21Å
236	I	93.6	Very high	89.1	Confident	100 Å²	100	54.1 Å²	54.1	51%	0.513	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-41.2	177	-70.1	167.5	0	0	0	110.7	L232 V233 Y238 V239 F240	L232-I236 HydrophobicContact CD2-CD1 3.86Å; L232-I236 HydrophobicContact CG-CD1 3.88Å; L232-I236 HydrophobicContact CG-CG1 4.49Å; L232-I236 VanDerWaalsContact O-CG1 3.31Å; L232-I236 WeakPolarHBondContact O-CG1 3Å; L232-I236 PolarHBondContact O-N 3.04Å; V233-I236 PolarHBondContact O-N 3.28Å; I236-Y238 VanDerWaalsContact C-N 3.27Å; I236-Y238 PolarHBondContact O-N 2.97Å; I236-V239 PolarHBondContact O-N 3.18Å; I236-F240 PolarHBondContact O-N 3.5Å
237	L	92.9	Very high	88.7	Confident	37 Å²	37	59.6 Å²	59.6	19%	0.194	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-36.1	177.1	-172.4	60.8	0	0	0	111.2	V216 V233 L234 I235 F240 Y241 L531	V216-L237 HydrophobicContact CB-CD2 4.47Å; V216-L237 HydrophobicContact CG2-CD2 4.2Å; V233-L237 WeakPolarHBondContact O-CB 3.08Å; V233-L237 PolarHBondContact O-N 3.27Å; L234-L237 PolarHBondContact O-N 2.8Å; I235-L237 VanDerWaalsContact C-N 3.32Å; I235-L237 PolarHBondContact O-N 3.32Å; L237-F240 WeakPolarHBondContact O-CB 3.39Å; L237-F240 PolarHBondContact O-N 3.45Å; L237-Y241 PolarHBondContact O-N 3.41Å; L237-L531 HydrophobicContact CB-CD1 4.34Å; L237-L531 HydrophobicContact CB-CD2 4.26Å; L237-L531 HydrophobicContact CD2-CD1 4.44Å; L237-L531 HydrophobicContact CD2-CD2 3.7Å; L237-L531 HydrophobicContact CG-CD1 4.08Å; L237-L531 HydrophobicContact CG-CD2 4.13Å
238	Y	90.8	Very high	88	Confident	26 Å²	26	58.7 Å²	58.7	10%	0.102	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-42.9	173.9	-174.9	-112.4	0	0	0	112.7	L234 I235 I236 F240 Y241 I242 F528 L531 V532	L234-Y238 PolarHBondContact O-N 3.01Å; I235-Y238 WeakPolarHBondContact O-CB 3.21Å; I235-Y238 PolarHBondContact O-N 3.25Å; I236-Y238 VanDerWaalsContact C-N 3.27Å; I236-Y238 PolarHBondContact O-N 2.97Å; Y238-F240 VanDerWaalsContact C-N 3.26Å; Y238-F240 PolarHBondContact O-N 2.89Å; Y238-Y241 HydrophobicContact CD2-CD1 4.13Å; Y238-Y241 HydrophobicContact CE2-CD1 4.02Å; Y238-Y241 HydrophobicContact CE2-CE1 4.43Å; Y238-Y241 WeakPolarHBondContact O-CB 3.37Å; Y238-Y241 PolarHBondContact O-N 3.25Å; Y238-Y241 VanDerWaalsContact O-N 3.16Å; Y238-I242 HydrophobicContact CD1-CD1 3.74Å; Y238-I242 HydrophobicContact CD1-CG1 4.45Å; Y238-I242 HydrophobicContact CE1-CD1 3.27Å; Y238-I242 HydrophobicContact CE1-CG1 4.06Å; Y238-I242 PolarHBondContact O-N 3.47Å; Y238-F528 HydrophobicContact CE1-CD2 4.33Å; Y238-F528 HydrophobicContact CE2-CB 4.21Å; Y238-F528 HydrophobicContact CE2-CD2 4.08Å; Y238-F528 AromaticContact CZ-CD2 3.72Å; Y238-F528 WeakPolarHBondContact OH-CD2 3.08Å; Y238-L531 HydrophobicContact CD2-CB 4.24Å; Y238-L531 HydrophobicContact CD2-CD1 4.22Å; Y238-L531 HydrophobicContact CG-CB 4.37Å; Y238-V532 HydrophobicContact CD1-CG2 3.29Å; Y238-V532 HydrophobicContact CD2-CG2 3.83Å; Y238-V532 HydrophobicContact CE1-CG2 3.55Å; Y238-V532 HydrophobicContact CE2-CG2 4.08Å; Y238-V532 HydrophobicContact CG-CG2 3.45Å; Y238-V532 VanDerWaalsContact CG-CG2 3.45Å
239	V	89.8	Confident	87.1	Confident	77 Å²	77	57 Å²	57	47%	0.467	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-41.4	174.1	174.8	0	0	0	0	110.5	I235 I236 I242 L243	I235-V239 PolarHBondContact O-N 2.95Å; I236-V239 PolarHBondContact O-N 3.18Å; V239-I242 PolarHBondContact O-N 2.77Å; V239-L243 HydrophobicContact CG1-CD1 4.36Å; V239-L243 WeakPolarHBondContact O-CG 3.24Å; V239-L243 PolarHBondContact O-N 2.92Å
240	F	89.4	Confident	86.3	Confident	115 Å²	115	58.5 Å²	58.5	50%	0.504	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-42	175	-176.6	-110.4	0	0	0	112.2	I236 L237 Y238 L243 I244	I236-F240 PolarHBondContact O-N 3.5Å; L237-F240 WeakPolarHBondContact O-CB 3.39Å; L237-F240 PolarHBondContact O-N 3.45Å; Y238-F240 VanDerWaalsContact C-N 3.26Å; Y238-F240 PolarHBondContact O-N 2.89Å; F240-L243 PolarHBondContact O-N 3.11Å; F240-I244 HydrophobicContact CD1-CD1 3.54Å; F240-I244 HydrophobicContact CD1-CG1 4.49Å; F240-I244 HydrophobicContact CD2-CD1 4.46Å; F240-I244 HydrophobicContact CE1-CD1 3.15Å; F240-I244 HydrophobicContact CE1-CG1 4.22Å; F240-I244 HydrophobicContact CE2-CD1 4.14Å; F240-I244 HydrophobicContact CE2-CG1 4.4Å; F240-I244 HydrophobicContact CG-CD1 4.2Å; F240-I244 HydrophobicContact CZ-CD1 3.49Å; F240-I244 VanDerWaalsContact CZ-CD1 3.49Å; F240-I244 HydrophobicContact CZ-CG1 4.17Å; F240-I244 WeakPolarHBondContact O-CG1 3.35Å; F240-I244 PolarHBondContact O-N 3.17Å
241	Y	86.5	Confident	85.4	Confident	6 Å²	6	60.6 Å²	60.6	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-48	172.6	169	-103.9	0	0	0	112.1	Y209 L237 Y238 L243 I244 M245 V527	Y209-Y241 HydrophobicContact CD2-CD2 4.25Å; Y209-Y241 HydrophobicContact CD2-CE2 4.26Å; Y209-Y241 HydrophobicContact CG-CD2 4.02Å; Y209-Y241 HydrophobicContact CG-CE2 4.36Å; L237-Y241 PolarHBondContact O-N 3.41Å; Y238-Y241 HydrophobicContact CD2-CD1 4.13Å; Y238-Y241 HydrophobicContact CE2-CD1 4.02Å; Y238-Y241 HydrophobicContact CE2-CE1 4.43Å; Y238-Y241 WeakPolarHBondContact O-CB 3.37Å; Y238-Y241 PolarHBondContact O-N 3.25Å; Y238-Y241 VanDerWaalsContact O-N 3.16Å; Y241-L243 VanDerWaalsContact C-N 3.34Å; Y241-L243 PolarHBondContact O-N 3.15Å; Y241-I244 PolarHBondContact O-N 3.46Å; Y241-M245 HydrophobicContact CD2-CG 4.19Å; Y241-M245 HydrophobicContact CE1-CG 4.13Å; Y241-M245 HydrophobicContact CE2-CG 3.72Å; Y241-M245 HydrophobicContact CE2-SD 4.18Å; Y241-M245 WeakPolarHBondContact O-CG 3.34Å; Y241-M245 PolarHBondContact O-N 3.36Å; Y241-V527 HydrophobicContact CD1-CG1 3.9Å; Y241-V527 HydrophobicContact CD2-CG1 4.19Å; Y241-V527 HydrophobicContact CE1-CG1 4.05Å; Y241-V527 HydrophobicContact CE2-CG1 4.32Å; Y241-V527 HydrophobicContact CG-CG1 3.97Å
242	I	83.9	Confident	84.7	Confident	54 Å²	54	64.5 Å²	64.5	28%	0.277	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-44.7	176.1	-67	168	0	0	0	111.2	T143 Y238 V239 I244 M245 K246	T143-I242 HydrophobicContact CG2-CG1 3.95Å; Y238-I242 HydrophobicContact CD1-CD1 3.74Å; Y238-I242 HydrophobicContact CD1-CG1 4.45Å; Y238-I242 HydrophobicContact CE1-CD1 3.27Å; Y238-I242 HydrophobicContact CE1-CG1 4.06Å; Y238-I242 PolarHBondContact O-N 3.47Å; V239-I242 PolarHBondContact O-N 2.77Å; I242-I244 VanDerWaalsContact C-N 3.28Å; I242-I244 PolarHBondContact O-N 3.46Å; I242-M245 PolarHBondContact O-N 3.34Å; I242-K246 WeakPolarHBondContact O-CB 3.48Å; I242-K246 PolarHBondContact O-N 3Å
243	L	84.3	Confident	83.8	Confident	86 Å²	86	63.9 Å²	63.9	45%	0.45	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-40.9	178.8	-73.5	175.1	0	0	0	111.5	V239 F240 Y241 K246 Y247	V239-L243 HydrophobicContact CG1-CD1 4.36Å; V239-L243 WeakPolarHBondContact O-CG 3.24Å; V239-L243 PolarHBondContact O-N 2.92Å; F240-L243 PolarHBondContact O-N 3.11Å; Y241-L243 VanDerWaalsContact C-N 3.34Å; Y241-L243 PolarHBondContact O-N 3.15Å; L243-K246 WeakPolarHBondContact O-CB 3.4Å; L243-K246 PolarHBondContact O-N 3.24Å; L243-Y247 WeakPolarHBondContact O-CD2 3.26Å; L243-Y247 PolarHBondContact O-N 3.26Å
244	I	82.4	Confident	82.8	Confident	21 Å²	21	67.4 Å²	67.4	11%	0.108	33%	0.332	C	S	.	.	H	α-helix	trans	-66.7	-45.8	176.5	-69.8	167.5	0	0	0	111.2	Y209 F240 Y241 I242 K246 Y247 N248 M251	Y209-I244 HydrophobicContact CE1-CD1 3.64Å; Y209-I244 HydrophobicContact CE2-CG2 4.13Å; Y209-I244 WeakPolarHBondContact OH-CG2 3.44Å; F240-I244 HydrophobicContact CD1-CD1 3.54Å; F240-I244 HydrophobicContact CD1-CG1 4.49Å; F240-I244 HydrophobicContact CD2-CD1 4.46Å; F240-I244 HydrophobicContact CE1-CD1 3.15Å; F240-I244 HydrophobicContact CE1-CG1 4.22Å; F240-I244 HydrophobicContact CE2-CD1 4.14Å; F240-I244 HydrophobicContact CE2-CG1 4.4Å; F240-I244 HydrophobicContact CG-CD1 4.2Å; F240-I244 HydrophobicContact CZ-CD1 3.49Å; F240-I244 VanDerWaalsContact CZ-CD1 3.49Å; F240-I244 HydrophobicContact CZ-CG1 4.17Å; F240-I244 WeakPolarHBondContact O-CG1 3.35Å; F240-I244 PolarHBondContact O-N 3.17Å; Y241-I244 PolarHBondContact O-N 3.46Å; I242-I244 VanDerWaalsContact C-N 3.28Å; I242-I244 PolarHBondContact O-N 3.46Å; I244-K246 PolarHBondContact O-N 2.82Å; I244-Y247 CarbonylContact O-C 3.48Å; I244-Y247 WeakPolarHBondContact O-CA 3.49Å; I244-Y247 PolarHBondContact O-N 3.44Å; I244-N248 PolarHBondContact O-N 2.93Å; I244-M251 HydrophobicContact CG2-CE 3.25Å; I244-M251 HydrophobicContact CG2-SD 4.04Å
245	M	78.3	Confident	81.8	Confident	13 Å²	13	72.2 Å²	72.2	6%	0.064	35%	0.353	C	S	.	.	H	α-helix	trans	-59.2	-36.7	177.8	-74.4	-58.6	-73.5	0	0	111.7	A142 Y241 I242 Y247 N248	A142-M245 HydrophobicContact CB-CE 3.48Å; A142-M245 VanDerWaalsContact CB-CE 3.48Å; Y241-M245 HydrophobicContact CD2-CG 4.19Å; Y241-M245 HydrophobicContact CE1-CG 4.13Å; Y241-M245 HydrophobicContact CE2-CG 3.72Å; Y241-M245 HydrophobicContact CE2-SD 4.18Å; Y241-M245 WeakPolarHBondContact O-CG 3.34Å; Y241-M245 PolarHBondContact O-N 3.36Å; I242-M245 PolarHBondContact O-N 3.34Å; M245-Y247 VanDerWaalsContact C-N 3.26Å; M245-Y247 PolarHBondContact O-N 3.05Å; M245-N248 WeakPolarHBondContact O-CB 3.22Å; M245-N248 PolarHBondContact O-N 3.05Å; M245-N248 VanDerWaalsContact O-N 3.13Å
246	K	78.6	Confident	80.8	Confident	135 Å²	135	72.1 Å²	72.1	59%	0.587	36%	0.355	S	S	*	.	H	α-helix	trans	-60	-33.4	172.8	-177.3	177.6	-179.6	175.2	0	113.4	I242 L243 I244	I242-K246 WeakPolarHBondContact O-CB 3.48Å; I242-K246 PolarHBondContact O-N 3Å; L243-K246 WeakPolarHBondContact O-CB 3.4Å; L243-K246 PolarHBondContact O-N 3.24Å; I244-K246 PolarHBondContact O-N 2.82Å
247	Y	80.9	Confident	79.6	Confident	116 Å²	116	73.2 Å²	73.2	46%	0.455	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	8.4	178.1	-63.2	-64.2	0	0	0	113.6	L243 I244 M245 V249 K250 M251	L243-Y247 WeakPolarHBondContact O-CD2 3.26Å; L243-Y247 PolarHBondContact O-N 3.26Å; I244-Y247 CarbonylContact O-C 3.48Å; I244-Y247 WeakPolarHBondContact O-CA 3.49Å; I244-Y247 PolarHBondContact O-N 3.44Å; M245-Y247 VanDerWaalsContact C-N 3.26Å; M245-Y247 PolarHBondContact O-N 3.05Å; Y247-V249 VanDerWaalsContact C-N 3.34Å; Y247-V249 PolarHBondContact O-N 2.74Å; Y247-K250 HydrophobicContact CD1-CD 4.35Å; Y247-K250 PolarHBondContact O-N 3.4Å; Y247-K250 VanDerWaalsContact O-N 3.08Å; Y247-M251 PolarHBondContact O-N 2.89Å; Y247-M251 VanDerWaalsContact O-N 3.11Å
248	N	77.4	Confident	78	Confident	14 Å²	14	76.8 Å²	76.8	8%	0.075	38%	0.375	C	S	.	.	H	α-helix	trans	-52.4	-46.3	-175.4	170.9	49.1	0	0	0	113.2	R205 I244 M245 K250 M251 Q252	R205-N248 WeakPolarHBondContact CD-OD1 3.49Å; R205-N248 PolarHBondContact NH1-ND2 2.74Å; R205-N248 PolarHBondContact NH1-OD1 3.46Å; I244-N248 PolarHBondContact O-N 2.93Å; M245-N248 WeakPolarHBondContact O-CB 3.22Å; M245-N248 PolarHBondContact O-N 3.05Å; M245-N248 VanDerWaalsContact O-N 3.13Å; N248-K250 VanDerWaalsContact C-N 3.3Å; N248-K250 PolarHBondContact O-N 3.34Å; N248-M251 WeakPolarHBondContact O-CB 3.39Å; N248-M251 PolarHBondContact O-N 3.2Å; N248-M251 VanDerWaalsContact O-N 3.09Å; N248-Q252 PolarHBondContact O-N 3.34Å
249	V	70.9	Confident	76.6	Confident	92 Å²	92	81.9 Å²	81.9	56%	0.558	40%	0.399	S	S	*	.	H	α-helix	trans	-58.7	-41.3	-179.8	177.3	0	0	0	0	111.9	Y247 Q252 A253	Y247-V249 VanDerWaalsContact C-N 3.34Å; Y247-V249 PolarHBondContact O-N 2.74Å; V249-Q252 PolarHBondContact O-N 2.8Å; V249-A253 PolarHBondContact O-N 3.02Å
250	K	75.4	Confident	75	Confident	151 Å²	151	84.7 Å²	84.7	66%	0.657	41%	0.405	S	S	*	.	H	α-helix	trans	-68.2	-38.3	177.6	-65.9	-175	-178.3	178.5	0	111.5	Y247 N248 F254	Y247-K250 HydrophobicContact CD1-CD 4.35Å; Y247-K250 PolarHBondContact O-N 3.4Å; Y247-K250 VanDerWaalsContact O-N 3.08Å; N248-K250 VanDerWaalsContact C-N 3.3Å; N248-K250 PolarHBondContact O-N 3.34Å; K250-F254 WeakPolarHBondContact O-CB 3.38Å; K250-F254 PolarHBondContact O-N 2.79Å
251	M	74.5	Confident	73.2	Confident	51 Å²	51	83.2 Å²	83.2	25%	0.251	41%	0.409	S	S	.	.	H	α-helix	trans	-66.5	-45.1	176.4	-65	-163	-57.6	0	0	111.5	W201 I244 Y247 N248 A253 F254 F255	W201-M251 HydrophobicContact CZ2-CB 4.5Å; I244-M251 HydrophobicContact CG2-CE 3.25Å; I244-M251 HydrophobicContact CG2-SD 4.04Å; Y247-M251 PolarHBondContact O-N 2.89Å; Y247-M251 VanDerWaalsContact O-N 3.11Å; N248-M251 WeakPolarHBondContact O-CB 3.39Å; N248-M251 PolarHBondContact O-N 3.2Å; N248-M251 VanDerWaalsContact O-N 3.09Å; M251-A253 VanDerWaalsContact C-N 3.33Å; M251-A253 PolarHBondContact O-N 2.94Å; M251-F254 WeakPolarHBondContact O-CB 3.37Å; M251-F254 PolarHBondContact O-N 3.37Å; M251-F254 VanDerWaalsContact O-N 3.16Å; M251-F255 WeakPolarHBondContact O-CD2 3.46Å; M251-F255 PolarHBondContact O-N 3.21Å
252	Q	75.1	Confident	71.6	Confident	82 Å²	82	88.9 Å²	88.9	38%	0.383	44%	0.439	S	S	.	.	H	α-helix	trans	-57.8	-47.7	176.9	-173.2	174	-3.4	0	0	110.7	W201 N248 V249 F254 F255 T256	W201-Q252 HydrophobicContact CG-CG 4.29Å; W201-Q252 HydrophobicContact CZ2-CB 4.48Å; N248-Q252 PolarHBondContact O-N 3.34Å; V249-Q252 PolarHBondContact O-N 2.8Å; Q252-F254 VanDerWaalsContact C-N 3.33Å; Q252-F254 PolarHBondContact O-N 3.02Å; Q252-F255 PolarHBondContact O-N 3.41Å; Q252-T256 WeakPolarHBondContact O-CB 3.28Å; Q252-T256 PolarHBondContact O-N 2.93Å; Q252-T256 PolarHBondContact O-OG1 3.34Å
253	A	73.6	Confident	70	Confident	52 Å²	52	90 Å²	90	43%	0.43	46%	0.456	S	S	.	.	H	α-helix	trans	-58.4	-43.6	176.2	0	0	0	0	0	112.4	V249 M251 I257	V249-A253 PolarHBondContact O-N 3.02Å; M251-A253 VanDerWaalsContact C-N 3.33Å; M251-A253 PolarHBondContact O-N 2.94Å; A253-I257 WeakPolarHBondContact O-CD1 3.26Å; A253-I257 WeakPolarHBondContact O-CG1 3.32Å; A253-I257 PolarHBondContact O-N 2.88Å; A253-I257 VanDerWaalsContact O-N 3.09Å
254	F	74.6	Confident	68.2	Low	128 Å²	128	92.4 Å²	92.4	56%	0.561	47%	0.469	S	S	*	.	H	α-helix	trans	-63	-45.8	177.5	-178.9	-97.9	0	0	0	112.5	K250 M251 Q252 I257 K258	K250-F254 WeakPolarHBondContact O-CB 3.38Å; K250-F254 PolarHBondContact O-N 2.79Å; M251-F254 WeakPolarHBondContact O-CB 3.37Å; M251-F254 PolarHBondContact O-N 3.37Å; M251-F254 VanDerWaalsContact O-N 3.16Å; Q252-F254 VanDerWaalsContact C-N 3.33Å; Q252-F254 PolarHBondContact O-N 3.02Å; F254-I257 PolarHBondContact O-N 3.1Å; F254-K258 HydrophobicContact CE1-CD 4.29Å; F254-K258 WeakPolarHBondContact O-CB 3.08Å; F254-K258 PolarHBondContact O-N 2.96Å
255	F	73.3	Confident	66.4	Low	100 Å²	100	93.9 Å²	93.9	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-69.5	-38.4	180	-88.8	-87.1	0	0	0	112.6	W201 M251 Q252 I257 K258 Q259	W201-F255 HydrophobicContact CE3-CB 4.38Å; W201-F255 HydrophobicContact CH2-CB 3.57Å; W201-F255 HydrophobicContact CH2-CD1 4Å; W201-F255 AromaticContact CH2-CD2 3.24Å; W201-F255 HydrophobicContact CH2-CD2 3.24Å; W201-F255 HydrophobicContact CH2-CE1 4.49Å; W201-F255 AromaticContact CH2-CE2 3.82Å; W201-F255 HydrophobicContact CH2-CE2 3.82Å; W201-F255 AromaticContact CH2-CG 3.33Å; W201-F255 HydrophobicContact CH2-CG 3.33Å; W201-F255 HydrophobicContact CH2-CZ 4.41Å; W201-F255 HydrophobicContact CZ2-CB 4.35Å; W201-F255 HydrophobicContact CZ2-CD2 4.07Å; W201-F255 HydrophobicContact CZ2-CG 4.37Å; W201-F255 HydrophobicContact CZ3-CB 3.55Å; W201-F255 AromaticContact CZ3-CD1 3.87Å; W201-F255 HydrophobicContact CZ3-CD1 3.87Å; W201-F255 AromaticContact CZ3-CD2 3.96Å; W201-F255 HydrophobicContact CZ3-CD2 3.96Å; W201-F255 AromaticContact CZ3-CG 3.53Å; W201-F255 HydrophobicContact CZ3-CG 3.53Å; M251-F255 WeakPolarHBondContact O-CD2 3.46Å; M251-F255 PolarHBondContact O-N 3.21Å; Q252-F255 PolarHBondContact O-N 3.41Å; F255-I257 PolarHBondContact O-N 3.17Å; F255-K258 PolarHBondContact O-N 3.42Å; F255-Q259 WeakPolarHBondContact O-CB 3.43Å; F255-Q259 PolarHBondContact O-N 3.45Å
256	T	71.4	Confident	64.6	Low	59 Å²	59	100.1 Å²	100.1	36%	0.362	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-40.1	174.9	-54.9	0	0	0	0	111.7	Q252 Q259 K260	Q252-T256 WeakPolarHBondContact O-CB 3.28Å; Q252-T256 PolarHBondContact O-N 2.93Å; Q252-T256 PolarHBondContact O-OG1 3.34Å; T256-Q259 PolarHBondContact O-N 2.92Å; T256-K260 WeakPolarHBondContact O-CB 3.31Å; T256-K260 WeakPolarHBondContact O-CG 3.37Å; T256-K260 PolarHBondContact O-N 2.72Å
257	I	66.7	Low	63	Low	123 Å²	123	99 Å²	99	63%	0.631	53%	0.53	S	S	*	.	H	α-helix	trans	-63.4	-44.4	174.6	-68.9	165	0	0	0	110.4	A253 F254 F255 K260 S261	A253-I257 WeakPolarHBondContact O-CD1 3.26Å; A253-I257 WeakPolarHBondContact O-CG1 3.32Å; A253-I257 PolarHBondContact O-N 2.88Å; A253-I257 VanDerWaalsContact O-N 3.09Å; F254-I257 PolarHBondContact O-N 3.1Å; F255-I257 PolarHBondContact O-N 3.17Å; I257-K260 PolarHBondContact O-N 3.04Å; I257-S261 WeakPolarHBondContact O-CB 3.1Å; I257-S261 PolarHBondContact O-N 3.44Å
258	K	60.5	Low	61.1	Low	112 Å²	112	99.2 Å²	99.2	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-66.9	-39.3	179.9	-156.8	179	-176	-173.7	0	112.1	F254 F255 S261 I262	F254-K258 HydrophobicContact CE1-CD 4.29Å; F254-K258 WeakPolarHBondContact O-CB 3.08Å; F254-K258 PolarHBondContact O-N 2.96Å; F255-K258 PolarHBondContact O-N 3.42Å; K258-S261 WeakPolarHBondContact O-CB 3.48Å; K258-S261 PolarHBondContact O-N 3.41Å; K258-I262 HydrophobicContact CG-CD1 4.25Å; K258-I262 VanDerWaalsContact O-CG1 3.26Å; K258-I262 WeakPolarHBondContact O-CG1 3.26Å; K258-I262 PolarHBondContact O-N 3.4Å
259	Q	61.5	Low	59.2	Low	132 Å²	132	105.9 Å²	105.9	62%	0.617	58%	0.578	S	S	*	*	H	α-helix	trans	-67.5	-41.8	176.9	-170.7	173.9	0.3	0	0	112	F255 T256 S261 I262 A263	F255-Q259 WeakPolarHBondContact O-CB 3.43Å; F255-Q259 PolarHBondContact O-N 3.45Å; T256-Q259 PolarHBondContact O-N 2.92Å; Q259-S261 VanDerWaalsContact C-N 3.31Å; Q259-S261 PolarHBondContact O-N 2.94Å; Q259-I262 PolarHBondContact O-N 3.18Å; Q259-A263 WeakPolarHBondContact O-CB 3.48Å; Q259-A263 PolarHBondContact O-N 2.71Å
260	K	56.7	Low	57.7	Low	136 Å²	136	105.8 Å²	105.8	59%	0.591	58%	0.582	S	S	*	*	H	α-helix	trans	-63.3	-37.1	171.4	-74.9	-176.8	178.7	-176.9	0	112	T256 I257 A263 N264	T256-K260 WeakPolarHBondContact O-CB 3.31Å; T256-K260 WeakPolarHBondContact O-CG 3.37Å; T256-K260 PolarHBondContact O-N 2.72Å; I257-K260 PolarHBondContact O-N 3.04Å; K260-A263 PolarHBondContact O-N 3.11Å; K260-N264 WeakPolarHBondContact O-CB 3.09Å; K260-N264 PolarHBondContact O-N 3.18Å
261	S	50.2	Low	56	Low	84 Å²	84	108.1 Å²	108.1	59%	0.587	60%	0.595	S	S	*	*	H	α-helix	trans	-68.4	-31.7	175.5	-172.6	0	0	0	0	113.5	I257 K258 Q259	I257-S261 WeakPolarHBondContact O-CB 3.1Å; I257-S261 PolarHBondContact O-N 3.44Å; K258-S261 WeakPolarHBondContact O-CB 3.48Å; K258-S261 PolarHBondContact O-N 3.41Å; Q259-S261 VanDerWaalsContact C-N 3.31Å; Q259-S261 PolarHBondContact O-N 2.94Å
262	I	52.7	Low	54.3	Low	126 Å²	126	113.9 Å²	113.9	65%	0.646	63%	0.626	S	S	*	*	H	α-helix	trans	-79.1	-36.9	176.2	-68.6	166.5	0	0	0	110.7	K258 Q259 G265	K258-I262 HydrophobicContact CG-CD1 4.25Å; K258-I262 VanDerWaalsContact O-CG1 3.26Å; K258-I262 WeakPolarHBondContact O-CG1 3.26Å; K258-I262 PolarHBondContact O-N 3.4Å; Q259-I262 PolarHBondContact O-N 3.18Å; I262-G265 PolarHBondContact O-N 2.87Å
263	A	51.1	Low	52.5	Low	77 Å²	77	118.2 Å²	118.2	64%	0.636	65%	0.647	S	S	*	*	H	α-helix	trans	-69.6	-32.5	175.9	0	0	0	0	0	113.1	Q259 K260 G265	Q259-A263 WeakPolarHBondContact O-CB 3.48Å; Q259-A263 PolarHBondContact O-N 2.71Å; K260-A263 PolarHBondContact O-N 3.11Å; A263-G265 PolarHBondContact O-N 2.8Å
264	N	46.8	Very low	50.4	Low	136 Å²	136	120.3 Å²	120.3	73%	0.727	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	12.8	174.5	-84.9	5.5	0	0	0	114.2	K260 N266	K260-N264 WeakPolarHBondContact O-CB 3.09Å; K260-N264 PolarHBondContact O-N 3.18Å; N264-N266 PolarHBondContact O-N 3.39Å
265	G	45.3	Very low	48.5	Very low	52 Å²	52	117.5 Å²	117.5	54%	0.536	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68	-6.9	177.9	0	0	0	0	0	115.4	I262 A263 P267	I262-G265 PolarHBondContact O-N 2.87Å; A263-G265 PolarHBondContact O-N 2.8Å; G265-P267 WeakPolarHBondContact O-CD 3.47Å
266	N	39.4	Very low	46.5	Very low	144 Å²	144	119.8 Å²	119.8	77%	0.77	69%	0.688	S	S	*	*			trans	-106.3	99.5	170.7	-70.7	-7.9	0	0	0	109.2	N264	N264-N266 PolarHBondContact O-N 3.39Å
267	P	45.9	Very low	44.6	Very low	111 Å²	111	124.6 Å²	124.6	72%	0.721	71%	0.711	S	S	*	*			trans	-71.8	145.2	164	33.1	-29.1	0	0	0	106.8	G265	G265-P267 WeakPolarHBondContact O-CD 3.47Å
268	V	40.2	Very low	42.7	Very low	121 Å²	121	126.7 Å²	126.7	73%	0.733	72%	0.716	S	S	*	*	S	Bend	trans	97.4	99.3	-179.5	-168.7	0	0	0	0	112.5
269	N	38.3	Very low	41.1	Very low	154 Å²	154	133 Å²	133	82%	0.824	74%	0.738	S	S	*	*	S	Bend	trans	99.2	54.8	160.9	-49.3	-20	0	0	0	119
270	S	37.6	Very low	39.6	Very low	91 Å²	91	132 Å²	132	64%	0.636	74%	0.738	S	S	*	*			trans	-153.1	40.2	156.4	-144.8	0	0	0	0	115
271	E	41.7	Very low	38.2	Very low	199 Å²	199	129.1 Å²	129.1	93%	0.93	75%	0.747	S	S	*	*	S	Bend	trans	-91.8	5.3	168.2	-65.2	-135.9	143.7	0	0	113.2
272	L	38.7	Very low	37.1	Very low	173 Å²	173	129.5 Å²	129.5	91%	0.906	75%	0.749	S	S	*	*	S	Bend	trans	-113.3	-4.2	-177	-134.8	81.4	0	0	0	116.1
273	E	35.9	Very low	36.3	Very low	173 Å²	173	133.6 Å²	133.6	81%	0.808	76%	0.758	S	S	*	*	S	Bend	trans	-122.3	3.1	-178	-80.2	-173	158	0	0	115.7	G275	E273-G275 VanDerWaalsContact C-N 3.26Å; E273-G275 PolarHBondContact O-N 2.78Å; E273-G275 VanDerWaalsContact O-N 3.17Å
274	A	30.8	Very low	35.3	Very low	95 Å²	95	136.4 Å²	136.4	79%	0.785	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	39.9	178.9	0	0	0	0	0	113.6
275	G	32.8	Very low	34.4	Very low	70 Å²	70	136.5 Å²	136.5	72%	0.722	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-9.9	-177.7	0	0	0	0	0	115.7	E273	E273-G275 VanDerWaalsContact C-N 3.26Å; E273-G275 PolarHBondContact O-N 2.78Å; E273-G275 VanDerWaalsContact O-N 3.17Å
276	N	32.3	Very low	34	Very low	148 Å²	148	139.9 Å²	139.9	79%	0.791	78%	0.775	S	S	*	*	S	Bend	trans	-138	137.4	-179.5	-100.8	-11.7	0	0	0	109.8
277	D	30.7	Very low	33.7	Very low	159 Å²	159	137.3 Å²	137.3	85%	0.85	77%	0.768	S	S	*	*			trans	96.3	69	175.8	-53.9	-17.6	0	0	0	116
278	F	27.7	Very low	33.1	Very low	168 Å²	168	138.3 Å²	138.3	74%	0.737	77%	0.772	S	S	*	*			trans	-147.2	92.9	143.6	-156.4	-109.6	0	0	0	110.7	D280	F278-D280 HydrophobicContact CD1-CB 3.79Å; F278-D280 HydrophobicContact CE1-CB 3.46Å; F278-D280 VanDerWaalsContact CE1-CB 3.46Å; F278-D280 HydrophobicContact CZ-CB 4.41Å; F278-D280 PolarHBondContact O-N 2.86Å
279	Y	27.2	Very low	32.8	Very low	243 Å²	243	138.2 Å²	138.2	95%	0.953	77%	0.774	S	S	*	*			trans	-78.5	103.2	155.6	-94.1	-88	0	0	0	107
280	D	28.7	Very low	32.7	Very low	112 Å²	112	139 Å²	139	60%	0.599	78%	0.777	S	S	*	*			trans	-86.6	111.2	163.9	-160.1	-1.2	0	0	0	108.4	F278	F278-D280 HydrophobicContact CD1-CB 3.79Å; F278-D280 HydrophobicContact CE1-CB 3.46Å; F278-D280 VanDerWaalsContact CE1-CB 3.46Å; F278-D280 HydrophobicContact CZ-CB 4.41Å; F278-D280 PolarHBondContact O-N 2.86Å
281	G	28.3	Very low	32.5	Very low	76 Å²	76	143 Å²	143	78%	0.784	79%	0.791	S	S	*	*			trans	-95.3	81.8	167.3	0	0	0	0	0	108.9
282	S	27.9	Very low	31.7	Very low	91 Å²	91	145.1 Å²	145.1	64%	0.636	79%	0.791	S	S	*	*			trans	-104.3	116.2	174.9	-174.3	0	0	0	0	110.1
283	Y	34.4	Very low	31.2	Very low	213 Å²	213	145.9 Å²	145.9	84%	0.835	79%	0.789	S	S	*	*			trans	-129.3	143.4	157.2	-77.5	-83.4	0	0	0	104.5
284	D	30.2	Very low	30.8	Very low	136 Å²	136	144.4 Å²	144.4	73%	0.727	79%	0.792	S	S	*	*			cis	-167.7	133.6	-11.5	-118.8	-16.3	0	0	0	103.7
285	D	27.3	Very low	30.5	Very low	137 Å²	137	149.2 Å²	149.2	73%	0.733	80%	0.795	S	S	*	*			trans	-145.9	113.7	155.1	-167.9	2.9	0	0	0	109.3	S287	D285-S287 PolarHBondContact O-N 3.38Å
286	P	37.5	Very low	30.1	Very low	123 Å²	123	155 Å²	155	80%	0.799	80%	0.803	S	S	*	*			trans	-98.2	81.3	-172.9	36.4	-30.9	0	0	0	111.1
287	S	33.8	Very low	29.7	Very low	90 Å²	90	157.4 Å²	157.4	63%	0.629	81%	0.807	S	S	*	*			trans	-153.7	14.1	173.5	60.4	0	0	0	0	118.5	D285	D285-S287 PolarHBondContact O-N 3.38Å
288	V	33.8	Very low	29.5	Very low	132 Å²	132	155.9 Å²	155.9	80%	0.8	81%	0.805	S	S	*	*			trans	-116.8	117.7	177.3	-171.3	0	0	0	0	112.3	L290	V288-L290 PolarHBondContact O-N 3.3Å
289	P	33.6	Very low	29.3	Very low	120 Å²	120	156.2 Å²	156.2	78%	0.779	81%	0.809	S	S	*	*			trans	-72.3	127.5	-179	27.8	-30.3	0	0	0	111.3	L291	P289-L291 PolarHBondContact O-N 3.04Å
290	L	36.1	Very low	29.3	Very low	169 Å²	169	154 Å²	154	89%	0.885	80%	0.8	S	S	*	*			trans	-73.2	97.8	-179.7	-69.3	171.3	0	0	0	112.2	V288	V288-L290 PolarHBondContact O-N 3.3Å
291	L	33.4	Very low	29.1	Very low	176 Å²	176	151.9 Å²	151.9	92%	0.921	81%	0.806	S	S	*	*			trans	-148.2	88.3	150.2	-83.8	-178.5	0	0	0	109.9	P289	P289-L291 PolarHBondContact O-N 3.04Å
292	R	25.3	Very low	29.1	Very low	244 Å²	244	157.2 Å²	157.2	92%	0.921	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-101.4	116.2	160.8	-162.5	170.1	-170.6	161.4	2.3	108.5
293	Q	27.3	Very low	29.1	Very low	188 Å²	188	159.8 Å²	159.8	88%	0.879	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-58.5	133.8	-179.7	-71	177.2	-19.4	0	0	111.7
294	V	27.6	Very low	29.2	Very low	142 Å²	142	155.2 Å²	155.2	86%	0.861	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.8	123.9	172.7	175.2	0	0	0	0	108.6
295	K	24.2	Very low	29.5	Very low	197 Å²	197	154.8 Å²	154.8	86%	0.857	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.7	129.1	173.4	-158	176.2	-174.3	-178.3	0	108.8
296	E	23.8	Very low	29.9	Very low	191 Å²	191	152.4 Å²	152.4	89%	0.893	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-57.3	142.8	-178.1	-65.3	-179.8	156.3	0	0	113.1
297	K	24.1	Very low	30	Very low	199 Å²	199	152.7 Å²	152.7	87%	0.865	80%	0.795	S	S	*	*			trans	-105.8	145.1	165.5	-82.4	-174.8	175.7	-178.3	0	109.7
298	P	27.6	Very low	30.4	Very low	126 Å²	126	153.3 Å²	153.3	82%	0.818	79%	0.794	S	S	*	*			trans	-83.2	150.5	177.9	33.4	-32	0	0	0	113.5
299	Q	23.9	Very low	30.6	Very low	175 Å²	175	152.8 Å²	152.8	82%	0.818	79%	0.787	S	S	*	*			trans	-56	157.7	167	-82.9	167.8	-56.7	0	0	112.2
300	Y	25.6	Very low	31.2	Very low	196 Å²	196	153.4 Å²	153.4	77%	0.769	78%	0.78	S	S	*	*			cis	-165.1	159.3	22.5	-158.2	-99.2	0	0	0	109	K302	Y300-K302 HydrophobicContact CE1-CG 4.24Å
301	G	25.8	Very low	31.5	Very low	69 Å²	69	150.5 Å²	150.5	71%	0.711	76%	0.764	S	S	*	*			trans	171.9	63.1	165.6	0	0	0	0	0	118.1
302	K	28.9	Very low	31.6	Very low	187 Å²	187	148.8 Å²	148.8	81%	0.813	75%	0.753	S	S	*	*			trans	38	108.8	155	-64.7	-180	179.1	177.5	0	119.4	Y300	Y300-K302 HydrophobicContact CE1-CG 4.24Å
303	N	26.6	Very low	32.1	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	74%	0.739	S	S	*	*			trans	-64.7	162.2	162.8	-63	-6	0	0	0	112.4
304	P	36.9	Very low	32.4	Very low	117 Å²	117	136.6 Å²	136.6	76%	0.76	73%	0.726	S	S	*	*				-106.9	140.7	120.4	30.1	-24.9	0	0	0	110	V306	P304-V306 PolarHBondContact O-N 3.48Å; P304-V306 VanDerWaalsContact O-N 3.15Å
305	V	36.3	Very low	32.6	Very low	126 Å²	126	134 Å²	134	76%	0.764	71%	0.714	S	S	*	*			trans	-64.1	109	-174.8	177.8	0	0	0	0	109.4
306	V	35.5	Very low	33	Very low	88 Å²	88	129.8 Å²	129.8	53%	0.533	71%	0.707	S	S	.	*			trans	-87.4	125.9	164.7	-179.6	0	0	0	0	107.1	P304 V308 E310 I311	P304-V306 PolarHBondContact O-N 3.48Å; P304-V306 VanDerWaalsContact O-N 3.15Å; V306-V308 PolarHBondContact O-N 3.01Å; V306-E310 HydrophobicContact CG1-CB 4.5Å; V306-I311 HydrophobicContact CG1-CD1 4.33Å; V306-I311 HydrophobicContact CG1-CG1 4.15Å
307	M	40.8	Very low	33.7	Very low	128 Å²	128	126.2 Å²	126.2	63%	0.631	70%	0.7	S	S	*	*			trans	-63.6	131.4	179.5	-67	-77.7	-80.3	0	0	109.2	D309 E310	M307-D309 PolarHBondContact O-N 3.45Å; M307-E310 PolarHBondContact O-N 3.15Å
308	V	41.5	Very low	34	Very low	103 Å²	103	126 Å²	126	62%	0.624	70%	0.699	S	S	*	*	H	α-helix	trans	-55	-28.7	-177.3	175.5	0	0	0	0	112.1	V306 E310 I311 M312	V306-V308 PolarHBondContact O-N 3.01Å; V308-E310 VanDerWaalsContact C-N 3.29Å; V308-E310 PolarHBondContact O-N 3.36Å; V308-I311 PolarHBondContact O-N 2.81Å; V308-M312 HydrophobicContact CG1-SD 4.33Å; V308-M312 PolarHBondContact O-N 3.03Å
309	D	38.6	Very low	34.6	Very low	122 Å²	122	129.7 Å²	129.7	65%	0.652	70%	0.702	S	S	*	*	H	α-helix	trans	-65.5	-25.9	178.2	-78.3	-13.6	0	0	0	114.1	M307 S313	M307-D309 PolarHBondContact O-N 3.45Å; D309-S313 PolarHBondContact O-N 3.32Å; D309-S313 PolarHBondContact O-OG 3.45Å
310	E	44.6	Very low	35.6	Very low	132 Å²	132	127.4 Å²	127.4	62%	0.617	70%	0.701	S	S	*	*	H	α-helix	trans	-83.9	-23.6	-179.1	-152.3	160.4	-160.4	0	0	112.2	V306 M307 V308 S313 S314	V306-E310 HydrophobicContact CG1-CB 4.5Å; M307-E310 PolarHBondContact O-N 3.15Å; V308-E310 VanDerWaalsContact C-N 3.29Å; V308-E310 PolarHBondContact O-N 3.36Å; E310-S313 PolarHBondContact O-OG 3.43Å; E310-S314 PolarHBondContact O-OG 3.01Å
311	I	43.9	Very low	37	Very low	109 Å²	109	124.1 Å²	124.1	56%	0.559	69%	0.691	S	S	*	*	H	α-helix	trans	-79.3	-32	172.3	-54.8	174.4	0	0	0	110.1	V306 V308 S314	V306-I311 HydrophobicContact CG1-CD1 4.33Å; V306-I311 HydrophobicContact CG1-CG1 4.15Å; V308-I311 PolarHBondContact O-N 2.81Å; I311-S314 PolarHBondContact O-OG 3.09Å
312	M	35.1	Very low	38.6	Very low	140 Å²	140	122.3 Å²	122.3	69%	0.69	67%	0.666	S	S	*	*	H	α-helix	trans	-76.2	-23	176.4	-68.3	-170.3	73.6	0	0	113.4	V308	V308-M312 HydrophobicContact CG1-SD 4.33Å; V308-M312 PolarHBondContact O-N 3.03Å
313	S	36.2	Very low	40.1	Very low	91 Å²	91	119.3 Å²	119.3	64%	0.636	66%	0.655	S	S	*	*	H	α-helix	trans	-89.1	-18.9	179.4	70.2	0	0	0	0	114.5	D309 E310	D309-S313 PolarHBondContact O-N 3.32Å; D309-S313 PolarHBondContact O-OG 3.45Å; E310-S313 PolarHBondContact O-OG 3.43Å
314	S	32.3	Very low	41.6	Very low	84 Å²	84	115 Å²	115	59%	0.587	64%	0.64	S	S	*	*	S	Bend	trans	-88.5	-5.9	-175.2	49.2	0	0	0	0	114.6	E310 I311	E310-S314 PolarHBondContact O-OG 3.01Å; I311-S314 PolarHBondContact O-OG 3.09Å
315	S	31.7	Very low	42.8	Very low	87 Å²	87	109.4 Å²	109.4	61%	0.608	60%	0.603	S	S	*	*			trans	-158.9	94.7	175.7	-70	0	0	0	0	112.1	P317	S315-P317 WeakPolarHBondContact O-CD 3.28Å
316	P	34.1	Very low	44.1	Very low	110 Å²	110	107.4 Å²	107.4	71%	0.714	59%	0.588	S	S	*	*			trans	-66	123.8	168.6	26.4	-30	0	0	0	108.4	K318	P316-K318 PolarHBondContact O-N 2.78Å; P316-K318 VanDerWaalsContact O-N 3.08Å
317	P	36.8	Very low	45.5	Very low	115 Å²	115	110.9 Å²	110.9	75%	0.747	59%	0.592	S	S	*	*			trans	-63.5	117.2	179.9	24	-30.9	0	0	0	109.3	S315 F319	S315-P317 WeakPolarHBondContact O-CD 3.28Å; P317-F319 PolarHBondContact O-N 3.37Å
318	K	32.3	Very low	46.8	Very low	195 Å²	195	106.6 Å²	106.6	85%	0.848	57%	0.571	S	S	*	*			trans	-63.6	115.3	174.5	-74.2	175	177.7	174.5	0	109.1	P316	P316-K318 PolarHBondContact O-N 2.78Å; P316-K318 VanDerWaalsContact O-N 3.08Å
319	F	39.8	Very low	48	Very low	203 Å²	203	105.6 Å²	105.6	89%	0.89	56%	0.56	S	S	*	*			trans	42.3	78.3	160.7	-56.9	-77.2	0	0	0	117.3	P317 F321	P317-F319 PolarHBondContact O-N 3.37Å; F319-F321 PolarHBondContact O-N 3.03Å
320	T	44.4	Very low	49.4	Very low	128 Å²	128	105.6 Å²	105.6	79%	0.785	56%	0.559	S	S	*	*			trans	-79.4	108	155.4	-6.2	0	0	0	0	108.4
321	F	54.3	Low	50.5	Low	127 Å²	127	102 Å²	102	56%	0.557	55%	0.546	S	S	*	.			trans	-54.9	136	163.8	-142.8	-95.3	0	0	0	107.8	F319 E323 I347	F319-F321 PolarHBondContact O-N 3.03Å; F321-E323 PolarHBondContact O-N 3.3Å; F321-I347 HydrophobicContact CE1-CD1 3.69Å; F321-I347 HydrophobicContact CE1-CG1 4.45Å; F321-I347 HydrophobicContact CZ-CD1 3.75Å
322	P	60.3	Low	51.4	Low	30 Å²	30	103.9 Å²	103.9	20%	0.195	56%	0.558	C	S	.	*			trans	-60.3	111.6	-178.2	-20.6	30.6	0	0	0	109.6	A324 G325 L326 I346 I347 E350	P322-A324 PolarHBondContact O-N 2.59Å; P322-G325 PolarHBondContact O-N 3.11Å; P322-L326 PolarHBondContact O-N 2.84Å; P322-I346 HydrophobicContact CB-CG2 4.18Å; P322-I347 HydrophobicContact CG-CG1 4.11Å; P322-E350 HydrophobicContact CG-CB 4.35Å
323	E	60	Low	52.4	Low	124 Å²	124	106.1 Å²	106.1	58%	0.579	56%	0.563	S	S	*	*	H	α-helix	trans	-52.1	-31.1	-178	-165.3	-168.1	144.4	0	0	111.6	F321 L326 R327	F321-E323 PolarHBondContact O-N 3.3Å; E323-L326 PolarHBondContact O-N 2.77Å; E323-R327 WeakPolarHBondContact O-CG 3.42Å; E323-R327 PolarHBondContact O-N 3.24Å; E323-R327 IonicContact OE1-CZ 3.5Å; E323-R327 IonicContact OE1-NE 3.25Å; E323-R327 PolarHBondContact OE1-NE 3.36Å; E323-R327 IonicContact OE1-NH2 3.52Å; E323-R327 PolarHBondContact OE1-NH2 2.86Å
324	A	58.7	Low	54.2	Low	55 Å²	55	106.8 Å²	106.8	46%	0.455	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-39.4	174.4	0	0	0	0	0	113.9	P322 I328 I346	P322-A324 PolarHBondContact O-N 2.59Å; A324-I328 WeakPolarHBondContact O-CD1 3.12Å; A324-I328 WeakPolarHBondContact O-CG1 3Å; A324-I328 PolarHBondContact O-N 3.02Å; A324-I346 HydrophobicContact CB-CG2 4.41Å
325	G	62.5	Low	56.2	Low	0 Å²	0	104.6 Å²	104.6	0%	0	55%	0.546	C	S	.	.	H	α-helix	trans	-68.3	-39	176	0	0	0	0	0	111.7	P322 I328 M329	P322-G325 PolarHBondContact O-N 3.11Å; G325-I328 PolarHBondContact O-N 2.75Å; G325-M329 PolarHBondContact O-N 2.93Å
326	L	62.8	Low	57.9	Low	84 Å²	84	105.4 Å²	105.4	44%	0.44	55%	0.549	S	S	.	.	H	α-helix	trans	-66.9	-43.6	176.8	-161.8	75.7	0	0	0	111.6	P322 E323 I328 M329 I330	P322-L326 PolarHBondContact O-N 2.84Å; E323-L326 PolarHBondContact O-N 2.77Å; L326-I328 VanDerWaalsContact C-N 3.33Å; L326-I328 PolarHBondContact O-N 3.24Å; L326-M329 CarbonylContact O-C 3.56Å; L326-M329 WeakPolarHBondContact O-CA 3.31Å; L326-M329 WeakPolarHBondContact O-CB 3.5Å; L326-M329 PolarHBondContact O-N 3.49Å; L326-M329 VanDerWaalsContact O-N 3.07Å; L326-I330 HydrophobicContact CD2-CD1 4.37Å; L326-I330 HydrophobicContact CG-CD1 3.99Å; L326-I330 VanDerWaalsContact O-CG1 3.32Å; L326-I330 WeakPolarHBondContact O-CG1 3.41Å; L326-I330 PolarHBondContact O-N 2.92Å
327	R	64.3	Low	59.5	Low	162 Å²	162	110.4 Å²	110.4	61%	0.611	55%	0.553	S	S	*	*	H	α-helix	trans	-59.1	-41.3	175.1	-78.4	-176	-171.7	-129.5	4.3	112.5	E323 M329 I330 T331	E323-R327 WeakPolarHBondContact O-CG 3.42Å; E323-R327 PolarHBondContact O-N 3.24Å; E323-R327 IonicContact OE1-CZ 3.5Å; E323-R327 IonicContact OE1-NE 3.25Å; E323-R327 PolarHBondContact OE1-NE 3.36Å; E323-R327 IonicContact OE1-NH2 3.52Å; E323-R327 PolarHBondContact OE1-NH2 2.86Å; R327-M329 VanDerWaalsContact C-N 3.31Å; R327-M329 PolarHBondContact O-N 3.2Å; R327-I330 PolarHBondContact O-N 3.48Å; R327-I330 VanDerWaalsContact O-N 3.16Å; R327-T331 WeakPolarHBondContact O-CG2 3.23Å; R327-T331 PolarHBondContact O-N 3.45Å; R327-T331 VanDerWaalsContact O-N 3.09Å
328	I	67.9	Low	61.3	Low	38 Å²	38	108.4 Å²	108.4	20%	0.195	54%	0.539	C	S	.	.	H	α-helix	trans	-66	-37.7	175.9	-69.6	162.5	0	0	0	110.8	A324 G325 L326 I330 T331 M342 I346	A324-I328 WeakPolarHBondContact O-CD1 3.12Å; A324-I328 WeakPolarHBondContact O-CG1 3Å; A324-I328 PolarHBondContact O-N 3.02Å; G325-I328 PolarHBondContact O-N 2.75Å; L326-I328 VanDerWaalsContact C-N 3.33Å; L326-I328 PolarHBondContact O-N 3.24Å; I328-I330 VanDerWaalsContact C-N 3.26Å; I328-I330 PolarHBondContact O-N 3.33Å; I328-T331 PolarHBondContact O-N 3.3Å; I328-T331 PolarHBondContact O-OG1 3.42Å; I328-T331 VanDerWaalsContact O-OG1 3.04Å; I328-M342 HydrophobicContact CG2-CB 4.04Å; I328-I346 HydrophobicContact CD1-CD1 3.26Å
329	M	66.9	Low	63.5	Low	82 Å²	82	101.7 Å²	101.7	40%	0.404	51%	0.508	S	S	.	.	H	α-helix	trans	-69.3	-14.9	173.4	-80	-173.9	63.4	0	0	114.3	G325 L326 R327 R339 A343	G325-M329 PolarHBondContact O-N 2.93Å; L326-M329 CarbonylContact O-C 3.56Å; L326-M329 WeakPolarHBondContact O-CA 3.31Å; L326-M329 WeakPolarHBondContact O-CB 3.5Å; L326-M329 PolarHBondContact O-N 3.49Å; L326-M329 VanDerWaalsContact O-N 3.07Å; R327-M329 VanDerWaalsContact C-N 3.31Å; R327-M329 PolarHBondContact O-N 3.2Å; M329-R339 PolarHBondContact O-NE 3.08Å; M329-R339 PolarHBondContact O-NH2 3.31Å; M329-A343 HydrophobicContact CG-CB 3.81Å; M329-A343 HydrophobicContact SD-CB 4.13Å
330	I	68.9	Low	65.3	Low	122 Å²	122	97.7 Å²	97.7	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-99.3	-22	176.6	-63.7	161.9	0	0	0	111.2	L326 R327 I328 N332	L326-I330 HydrophobicContact CD2-CD1 4.37Å; L326-I330 HydrophobicContact CG-CD1 3.99Å; L326-I330 VanDerWaalsContact O-CG1 3.32Å; L326-I330 WeakPolarHBondContact O-CG1 3.41Å; L326-I330 PolarHBondContact O-N 2.92Å; R327-I330 PolarHBondContact O-N 3.48Å; R327-I330 VanDerWaalsContact O-N 3.16Å; I328-I330 VanDerWaalsContact C-N 3.26Å; I328-I330 PolarHBondContact O-N 3.33Å; I330-N332 PolarHBondContact O-N 3.01Å
331	T	67.3	Low	66.7	Low	56 Å²	56	100.7 Å²	100.7	34%	0.344	49%	0.493	S	S	.	.			trans	-72.1	130.4	-179	65.2	0	0	0	0	113.1	R327 I328 K333 R339	R327-T331 WeakPolarHBondContact O-CG2 3.23Å; R327-T331 PolarHBondContact O-N 3.45Å; R327-T331 VanDerWaalsContact O-N 3.09Å; I328-T331 PolarHBondContact O-N 3.3Å; I328-T331 PolarHBondContact O-OG1 3.42Å; I328-T331 VanDerWaalsContact O-OG1 3.04Å; T331-K333 VanDerWaalsContact C-N 3.29Å; T331-K333 PolarHBondContact O-N 3.43Å; T331-R339 WeakPolarHBondContact O-CD 3.47Å; T331-R339 PolarHBondContact O-NE 3.09Å; T331-R339 PolarHBondContact O-NH1 3.4Å
332	N	61.9	Low	67.5	Low	149 Å²	149	97.9 Å²	97.9	80%	0.797	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	12.6	177.1	-105.4	-2.6	0	0	0	114.5	I330 R339	I330-N332 PolarHBondContact O-N 3.01Å; N332-R339 PolarHBondContact OD1-NH1 2.89Å
333	K	57.7	Low	68.2	Low	186 Å²	186	96.6 Å²	96.6	81%	0.809	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.8	-178.4	-66.1	-163.5	179	-171.3	0	113.9	T331	T331-K333 VanDerWaalsContact C-N 3.29Å; T331-K333 PolarHBondContact O-N 3.43Å
334	F	72.3	Confident	68.8	Low	106 Å²	106	93 Å²	93	47%	0.465	46%	0.462	S	S	.	.	S	Bend	trans	-129.8	150.5	-175.3	-56.6	-73.3	0	0	0	111.8	R339 M342	F334-R339 HydrophobicContact CB-CG 4.06Å; F334-R339 WeakPolarHBondContact O-CD 3.4Å; F334-M342 HydrophobicContact CD1-CE 4.47Å; F334-M342 HydrophobicContact CD2-CE 3.94Å; F334-M342 HydrophobicContact CE2-CE 4.03Å; F334-M342 HydrophobicContact CG-CE 4.16Å; F334-M342 HydrophobicContact CZ-CE 4.35Å
335	G	75.1	Confident	69.6	Low	38 Å²	38	99.3 Å²	99.3	39%	0.392	47%	0.474	S	S	.	.			trans	-62.1	156.4	176.1	0	0	0	0	0	113.2	R337 T338 R339	G335-R337 VanDerWaalsContact C-N 3.33Å; G335-R337 PolarHBondContact O-N 3.4Å; G335-T338 PolarHBondContact O-N 3.41Å; G335-R339 PolarHBondContact O-N 2.89Å; G335-R339 VanDerWaalsContact O-N 3.09Å
336	P	66.6	Low	70.1	Confident	103 Å²	103	101.8 Å²	101.8	67%	0.669	49%	0.487	S	S	*	.	H	α-helix	trans	-60.1	-38.4	-170.2	20.8	-32.1	0	0	0	113.1	T338 R339 L340	P336-T338 VanDerWaalsContact C-N 3.35Å; P336-T338 PolarHBondContact O-N 3.18Å; P336-R339 PolarHBondContact O-N 3.38Å; P336-L340 PolarHBondContact O-N 3.09Å; P336-L340 VanDerWaalsContact O-N 3.14Å
337	R	69	Low	70.6	Confident	216 Å²	216	100.6 Å²	100.6	82%	0.815	48%	0.48	S	S	*	.	H	α-helix	trans	-66	-34.4	177	-71.8	-175.3	172.1	174.9	-1.9	113.3	G335 R341	G335-R337 VanDerWaalsContact C-N 3.33Å; G335-R337 PolarHBondContact O-N 3.4Å; R337-R341 PolarHBondContact O-N 2.66Å
338	T	75.1	Confident	71.1	Confident	72 Å²	72	97.7 Å²	97.7	44%	0.442	48%	0.476	S	S	.	.	H	α-helix	trans	-75.9	-39.2	180	-49.9	0	0	0	0	111	G335 P336 L340 R341 M342	G335-T338 PolarHBondContact O-N 3.41Å; P336-T338 VanDerWaalsContact C-N 3.35Å; P336-T338 PolarHBondContact O-N 3.18Å; T338-L340 PolarHBondContact O-N 3.25Å; T338-R341 PolarHBondContact O-N 3.13Å; T338-M342 HydrophobicContact CG2-CE 4.13Å; T338-M342 WeakPolarHBondContact O-CG 3.44Å; T338-M342 PolarHBondContact O-N 3.3Å
339	R	78.4	Confident	71.3	Confident	55 Å²	55	101.6 Å²	101.6	21%	0.208	50%	0.497	C	S	.	.	H	α-helix	trans	-58	-47.9	173.4	-74.2	164	57.8	-179.3	-6	111.3	M329 T331 N332 F334 G335 P336 M342 A343	M329-R339 PolarHBondContact O-NE 3.08Å; M329-R339 PolarHBondContact O-NH2 3.31Å; T331-R339 WeakPolarHBondContact O-CD 3.47Å; T331-R339 PolarHBondContact O-NE 3.09Å; T331-R339 PolarHBondContact O-NH1 3.4Å; N332-R339 PolarHBondContact OD1-NH1 2.89Å; F334-R339 HydrophobicContact CB-CG 4.06Å; F334-R339 WeakPolarHBondContact O-CD 3.4Å; G335-R339 PolarHBondContact O-N 2.89Å; G335-R339 VanDerWaalsContact O-N 3.09Å; P336-R339 PolarHBondContact O-N 3.38Å; R339-M342 PolarHBondContact O-N 3.32Å; R339-A343 VanDerWaalsContact O-CB 3.3Å; R339-A343 WeakPolarHBondContact O-CB 3.42Å; R339-A343 PolarHBondContact O-N 3.41Å
340	L	76.6	Confident	71.3	Confident	119 Å²	119	101.3 Å²	101.3	62%	0.623	50%	0.495	S	S	*	.	H	α-helix	trans	-66.7	-39.9	-177.5	-139.8	142.4	0	0	0	111.9	P336 T338 S344	P336-L340 PolarHBondContact O-N 3.09Å; P336-L340 VanDerWaalsContact O-N 3.14Å; T338-L340 PolarHBondContact O-N 3.25Å; L340-S344 VanDerWaalsContact O-CB 3.25Å; L340-S344 WeakPolarHBondContact O-CB 3.48Å; L340-S344 PolarHBondContact O-N 3.35Å; L340-S344 PolarHBondContact O-OG 3.3Å
341	R	74.9	Confident	71.1	Confident	191 Å²	191	103.8 Å²	103.8	72%	0.721	50%	0.496	S	S	*	.	H	α-helix	trans	-67	-38.2	174	-81.3	-174.2	176.7	-179.5	-0.8	113.8	R337 T338 S344 R345	R337-R341 PolarHBondContact O-N 2.66Å; T338-R341 PolarHBondContact O-N 3.13Å; R341-S344 PolarHBondContact O-OG 3.02Å; R341-R345 WeakPolarHBondContact O-CG 3.21Å; R341-R345 PolarHBondContact O-N 2.97Å; R341-R345 VanDerWaalsContact O-N 3.16Å
342	M	70.7	Confident	71.2	Confident	68 Å²	68	105.6 Å²	105.6	34%	0.335	50%	0.501	S	S	.	.	H	α-helix	trans	-71.6	-44.4	177.8	-76.3	-151.4	-84.6	0	0	111.3	I328 F334 T338 R339 S344 R345 I346	I328-M342 HydrophobicContact CG2-CB 4.04Å; F334-M342 HydrophobicContact CD1-CE 4.47Å; F334-M342 HydrophobicContact CD2-CE 3.94Å; F334-M342 HydrophobicContact CE2-CE 4.03Å; F334-M342 HydrophobicContact CG-CE 4.16Å; F334-M342 HydrophobicContact CZ-CE 4.35Å; T338-M342 HydrophobicContact CG2-CE 4.13Å; T338-M342 WeakPolarHBondContact O-CG 3.44Å; T338-M342 PolarHBondContact O-N 3.3Å; R339-M342 PolarHBondContact O-N 3.32Å; M342-S344 PolarHBondContact O-N 3.05Å; M342-R345 PolarHBondContact O-N 3.4Å; M342-I346 WeakPolarHBondContact O-CG1 3.37Å; M342-I346 PolarHBondContact O-N 2.87Å; M342-I346 VanDerWaalsContact O-N 3.16Å
343	A	74.9	Confident	71.4	Confident	3 Å²	3	105.8 Å²	105.8	3%	0.025	49%	0.49	C	S	.	.	H	α-helix	trans	-60.6	-44	174.8	0	0	0	0	0	111.4	M329 R339 R345 I346 I347	M329-A343 HydrophobicContact CG-CB 3.81Å; M329-A343 HydrophobicContact SD-CB 4.13Å; R339-A343 VanDerWaalsContact O-CB 3.3Å; R339-A343 WeakPolarHBondContact O-CB 3.42Å; R339-A343 PolarHBondContact O-N 3.41Å; A343-R345 PolarHBondContact O-N 3.28Å; A343-I346 PolarHBondContact O-N 3.05Å; A343-I347 VanDerWaalsContact O-CG1 3.29Å; A343-I347 WeakPolarHBondContact O-CG1 3.49Å; A343-I347 PolarHBondContact O-N 2.82Å
344	S	73.1	Confident	71.8	Confident	47 Å²	47	102 Å²	102	33%	0.329	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-40.9	178.7	73.3	0	0	0	0	112.4	L340 R341 M342 I346 I347 I348	L340-S344 VanDerWaalsContact O-CB 3.25Å; L340-S344 WeakPolarHBondContact O-CB 3.48Å; L340-S344 PolarHBondContact O-N 3.35Å; L340-S344 PolarHBondContact O-OG 3.3Å; R341-S344 PolarHBondContact O-OG 3.02Å; M342-S344 PolarHBondContact O-N 3.05Å; S344-I346 PolarHBondContact O-N 3.26Å; S344-I347 PolarHBondContact O-N 3.21Å; S344-I348 WeakPolarHBondContact O-CB 3.21Å; S344-I348 WeakPolarHBondContact O-CD1 3.39Å; S344-I348 WeakPolarHBondContact O-CG1 3.1Å; S344-I348 PolarHBondContact O-N 3.01Å
345	R	75.2	Confident	71.5	Confident	188 Å²	188	99.8 Å²	99.8	71%	0.709	47%	0.471	S	S	*	.	H	α-helix	trans	-63.6	-39.7	177.2	-79.9	-177.9	173.2	-170.3	-2.2	112.7	R341 M342 A343 I348 N349	R341-R345 WeakPolarHBondContact O-CG 3.21Å; R341-R345 PolarHBondContact O-N 2.97Å; R341-R345 VanDerWaalsContact O-N 3.16Å; M342-R345 PolarHBondContact O-N 3.4Å; A343-R345 PolarHBondContact O-N 3.28Å; R345-I348 PolarHBondContact O-N 3.04Å; R345-N349 WeakPolarHBondContact O-CB 3.09Å; R345-N349 PolarHBondContact O-N 3.31Å
346	I	72	Confident	70.8	Confident	53 Å²	53	101.6 Å²	101.6	27%	0.272	47%	0.472	S	S	.	.	H	α-helix	trans	-66.9	-43.4	178.5	-68.8	165.7	0	0	0	110.4	P322 A324 I328 M342 A343 S344 I348 N349 E350	P322-I346 HydrophobicContact CB-CG2 4.18Å; A324-I346 HydrophobicContact CB-CG2 4.41Å; I328-I346 HydrophobicContact CD1-CD1 3.26Å; M342-I346 WeakPolarHBondContact O-CG1 3.37Å; M342-I346 PolarHBondContact O-N 2.87Å; M342-I346 VanDerWaalsContact O-N 3.16Å; A343-I346 PolarHBondContact O-N 3.05Å; S344-I346 PolarHBondContact O-N 3.26Å; I346-I348 PolarHBondContact O-N 3.49Å; I346-N349 PolarHBondContact O-N 2.94Å; I346-E350 WeakPolarHBondContact O-CB 3.42Å; I346-E350 PolarHBondContact O-N 3.25Å
347	I	73.1	Confident	70.3	Confident	58 Å²	58	100.3 Å²	100.3	30%	0.297	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-43.6	176.5	-65.6	164.5	0	0	0	111	F321 P322 A343 S344 E350 R351	F321-I347 HydrophobicContact CE1-CD1 3.69Å; F321-I347 HydrophobicContact CE1-CG1 4.45Å; F321-I347 HydrophobicContact CZ-CD1 3.75Å; P322-I347 HydrophobicContact CG-CG1 4.11Å; A343-I347 VanDerWaalsContact O-CG1 3.29Å; A343-I347 WeakPolarHBondContact O-CG1 3.49Å; A343-I347 PolarHBondContact O-N 2.82Å; S344-I347 PolarHBondContact O-N 3.21Å; I347-E350 PolarHBondContact O-N 3.11Å; I347-R351 WeakPolarHBondContact O-CB 3.27Å; I347-R351 PolarHBondContact O-N 3.09Å
348	I	74.9	Confident	69.6	Low	101 Å²	101	94 Å²	94	52%	0.518	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-46.3	178.7	-69	162.9	0	0	0	110.9	S344 R345 I346 E350 R351 Q352	S344-I348 WeakPolarHBondContact O-CB 3.21Å; S344-I348 WeakPolarHBondContact O-CD1 3.39Å; S344-I348 WeakPolarHBondContact O-CG1 3.1Å; S344-I348 PolarHBondContact O-N 3.01Å; R345-I348 PolarHBondContact O-N 3.04Å; I346-I348 PolarHBondContact O-N 3.49Å; I348-E350 VanDerWaalsContact C-N 3.33Å; I348-E350 PolarHBondContact O-N 2.96Å; I348-R351 PolarHBondContact O-N 3.19Å; I348-Q352 WeakPolarHBondContact O-CB 3.37Å; I348-Q352 PolarHBondContact O-N 2.79Å
349	N	71.8	Confident	68.9	Low	120 Å²	120	96.2 Å²	96.2	64%	0.642	47%	0.468	S	S	*	.	H	α-helix	trans	-61.8	-41.7	178.3	-99.7	0.2	0	0	0	112.1	R345 I346 Q352 R353	R345-N349 WeakPolarHBondContact O-CB 3.09Å; R345-N349 PolarHBondContact O-N 3.31Å; I346-N349 PolarHBondContact O-N 2.94Å; N349-Q352 PolarHBondContact O-N 3.33Å; N349-R353 WeakPolarHBondContact O-CB 3.42Å; N349-R353 PolarHBondContact O-N 2.84Å
350	E	68.1	Low	67.4	Low	77 Å²	77	96.9 Å²	96.9	36%	0.36	49%	0.492	S	S	.	.	H	α-helix	trans	-71.8	-36.7	-179.2	-152.8	62.9	-177.7	0	0	111.7	P322 I346 I347 I348 Q352 R353 L354	P322-E350 HydrophobicContact CG-CB 4.35Å; I346-E350 WeakPolarHBondContact O-CB 3.42Å; I346-E350 PolarHBondContact O-N 3.25Å; I347-E350 PolarHBondContact O-N 3.11Å; I348-E350 VanDerWaalsContact C-N 3.33Å; I348-E350 PolarHBondContact O-N 2.96Å; E350-Q352 VanDerWaalsContact C-N 3.33Å; E350-Q352 PolarHBondContact O-N 2.85Å; E350-R353 WeakPolarHBondContact O-CB 3.34Å; E350-R353 PolarHBondContact O-N 3.42Å; E350-L354 WeakPolarHBondContact O-CG 3.47Å; E350-L354 PolarHBondContact O-N 3.33Å
351	R	65.4	Low	66.1	Low	174 Å²	174	95.9 Å²	95.9	66%	0.657	49%	0.491	S	S	*	.	H	α-helix	trans	-60.4	-44.1	170.4	-165.4	-165.2	-171.6	-128.1	4	111.1	I347 I348 R353 L354 I355	I347-R351 WeakPolarHBondContact O-CB 3.27Å; I347-R351 PolarHBondContact O-N 3.09Å; I348-R351 PolarHBondContact O-N 3.19Å; R351-R353 VanDerWaalsContact C-N 3.31Å; R351-R353 PolarHBondContact O-N 3.42Å; R351-L354 PolarHBondContact O-N 2.84Å; R351-I355 HydrophobicContact CG-CD1 3.95Å; R351-I355 WeakPolarHBondContact O-CB 3.3Å; R351-I355 WeakPolarHBondContact O-CD1 3.4Å; R351-I355 WeakPolarHBondContact O-CG1 3.1Å; R351-I355 PolarHBondContact O-N 3.43Å
352	Q	68.1	Low	64.3	Low	94 Å²	94	92.3 Å²	92.3	44%	0.439	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-39.3	178.5	-157.8	69.4	16.3	0	0	111.3	I348 N349 E350 I355 N356	I348-Q352 WeakPolarHBondContact O-CB 3.37Å; I348-Q352 PolarHBondContact O-N 2.79Å; N349-Q352 PolarHBondContact O-N 3.33Å; E350-Q352 VanDerWaalsContact C-N 3.33Å; E350-Q352 PolarHBondContact O-N 2.85Å; Q352-I355 PolarHBondContact O-N 2.9Å; Q352-N356 WeakPolarHBondContact O-CB 3.14Å; Q352-N356 PolarHBondContact O-N 3.06Å; Q352-N356 PolarHBondContact O-ND2 3.22Å; Q352-N356 PolarHBondContact O-OD1 3.27Å
353	R	66.9	Low	62.7	Low	152 Å²	152	93.3 Å²	93.3	57%	0.574	51%	0.508	S	S	*	.	H	α-helix	trans	-62.6	-44	175.3	-168.4	-178.3	-174.8	172.1	1.4	112.1	N349 E350 R351 N356 S357	N349-R353 WeakPolarHBondContact O-CB 3.42Å; N349-R353 PolarHBondContact O-N 2.84Å; E350-R353 WeakPolarHBondContact O-CB 3.34Å; E350-R353 PolarHBondContact O-N 3.42Å; R351-R353 VanDerWaalsContact C-N 3.31Å; R351-R353 PolarHBondContact O-N 3.42Å; R353-N356 PolarHBondContact O-N 3.48Å; R353-S357 PolarHBondContact O-N 2.71Å; R353-S357 PolarHBondContact O-OG 3.29Å
354	L	65.3	Low	60.5	Low	108 Å²	108	102.2 Å²	102.2	57%	0.565	55%	0.547	S	S	*	.	H	α-helix	trans	-67.7	-38.3	177.6	-69.7	171.8	0	0	0	112.4	E350 R351 S357 A358	E350-L354 WeakPolarHBondContact O-CG 3.47Å; E350-L354 PolarHBondContact O-N 3.33Å; R351-L354 PolarHBondContact O-N 2.84Å; L354-S357 WeakPolarHBondContact CA-OG 3.48Å; L354-S357 PolarHBondContact O-N 3.01Å; L354-S357 PolarHBondContact O-OG 3.08Å; L354-A358 VanDerWaalsContact O-CB 3.3Å; L354-A358 WeakPolarHBondContact O-CB 3.47Å; L354-A358 PolarHBondContact O-N 2.97Å
355	I	66.4	Low	58.5	Low	58 Å²	58	105.8 Å²	105.8	30%	0.297	57%	0.569	S	S	.	*	H	α-helix	trans	-63.7	-44	173.6	-69.5	164.7	0	0	0	110.1	R351 Q352 S357 A358 N359	R351-I355 HydrophobicContact CG-CD1 3.95Å; R351-I355 WeakPolarHBondContact O-CB 3.3Å; R351-I355 WeakPolarHBondContact O-CD1 3.4Å; R351-I355 WeakPolarHBondContact O-CG1 3.1Å; R351-I355 PolarHBondContact O-N 3.43Å; Q352-I355 PolarHBondContact O-N 2.9Å; I355-S357 VanDerWaalsContact C-N 3.35Å; I355-S357 PolarHBondContact O-N 2.76Å; I355-A358 PolarHBondContact O-N 3.12Å; I355-N359 WeakPolarHBondContact O-CB 3.33Å; I355-N359 PolarHBondContact O-N 2.88Å
356	N	60.3	Low	56.5	Low	77 Å²	77	105.5 Å²	105.5	41%	0.412	58%	0.58	S	S	.	*	H	α-helix	trans	-66.6	-35.9	178.4	-68.6	-10	0	0	0	112.2	Q352 R353 N359 V361	Q352-N356 WeakPolarHBondContact O-CB 3.14Å; Q352-N356 PolarHBondContact O-N 3.06Å; Q352-N356 PolarHBondContact O-ND2 3.22Å; Q352-N356 PolarHBondContact O-OD1 3.27Å; R353-N356 PolarHBondContact O-N 3.48Å; N356-N359 PolarHBondContact O-N 3.08Å; N356-V361 PolarHBondContact O-N 3.44Å
357	S	55.8	Low	54.4	Low	76 Å²	76	111.7 Å²	111.7	53%	0.531	61%	0.608	S	S	.	*	H	α-helix	trans	-70.6	-36.3	173.3	64.7	0	0	0	0	112.6	R353 L354 I355 N359 G360	R353-S357 PolarHBondContact O-N 2.71Å; R353-S357 PolarHBondContact O-OG 3.29Å; L354-S357 WeakPolarHBondContact CA-OG 3.48Å; L354-S357 PolarHBondContact O-N 3.01Å; L354-S357 PolarHBondContact O-OG 3.08Å; I355-S357 VanDerWaalsContact C-N 3.35Å; I355-S357 PolarHBondContact O-N 2.76Å; S357-N359 VanDerWaalsContact C-N 3.28Å; S357-N359 PolarHBondContact O-N 2.85Å; S357-G360 PolarHBondContact O-N 2.79Å
358	A	54.4	Low	52.1	Low	83 Å²	83	116.1 Å²	116.1	69%	0.686	63%	0.632	S	S	*	*	H	α-helix	trans	-67.8	-29.2	176	0	0	0	0	0	112.4	L354 I355 G360	L354-A358 VanDerWaalsContact O-CB 3.3Å; L354-A358 WeakPolarHBondContact O-CB 3.47Å; L354-A358 PolarHBondContact O-N 2.97Å; I355-A358 PolarHBondContact O-N 3.12Å; A358-G360 VanDerWaalsContact C-N 3.27Å; A358-G360 PolarHBondContact O-N 3.07Å
359	N	60.3	Low	50.1	Low	119 Å²	119	114.5 Å²	114.5	64%	0.636	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	10.6	175.9	-70.8	-17.8	0	0	0	114	I355 N356 S357 V361	I355-N359 WeakPolarHBondContact O-CB 3.33Å; I355-N359 PolarHBondContact O-N 2.88Å; N356-N359 PolarHBondContact O-N 3.08Å; S357-N359 VanDerWaalsContact C-N 3.28Å; S357-N359 PolarHBondContact O-N 2.85Å; N359-V361 VanDerWaalsContact C-N 3.29Å; N359-V361 PolarHBondContact O-N 3.25Å
360	G	46.4	Very low	47.7	Very low	68 Å²	68	120.8 Å²	120.8	70%	0.701	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	72	14	172	0	0	0	0	0	115.7	S357 A358 S362	S357-G360 PolarHBondContact O-N 2.79Å; A358-G360 VanDerWaalsContact C-N 3.27Å; A358-G360 PolarHBondContact O-N 3.07Å; G360-S362 PolarHBondContact O-N 3.42Å
361	V	50.4	Low	46	Very low	99 Å²	99	125.2 Å²	125.2	60%	0.6	68%	0.676	S	S	*	*			trans	-88.1	102.9	177	-176	0	0	0	0	109	N356 N359 S363	N356-V361 PolarHBondContact O-N 3.44Å; N359-V361 VanDerWaalsContact C-N 3.29Å; N359-V361 PolarHBondContact O-N 3.25Å; V361-S363 PolarHBondContact O-N 3.45Å
362	S	36.4	Very low	43.9	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	69%	0.685	S	S	*	*			trans	-64.4	102.7	175.2	-176.6	0	0	0	0	110.8	G360	G360-S362 PolarHBondContact O-N 3.42Å
363	S	38.5	Very low	42.2	Very low	88 Å²	88	128.2 Å²	128.2	62%	0.615	70%	0.702	S	S	*	*			trans	-84.7	110.5	167.5	62.9	0	0	0	0	109.4	V361	V361-S363 PolarHBondContact O-N 3.45Å
364	K	28.7	Very low	40.4	Very low	191 Å²	191	128.2 Å²	128.2	83%	0.83	71%	0.712	S	S	*	*			trans	-52.1	139.7	168.4	-73.9	178.9	176.2	177.3	0	110.5	L366	K364-L366 PolarHBondContact O-N 2.97Å
365	P	31	Very low	38.5	Very low	121 Å²	121	131.1 Å²	131.1	79%	0.786	72%	0.722	S	S	*	*			trans	-70	131.1	171.7	27.4	-30.2	0	0	0	110.1	Q367	P365-Q367 PolarHBondContact O-N 3.15Å
366	L	32.1	Very low	36.6	Very low	182 Å²	182	135.8 Å²	135.8	95%	0.953	75%	0.748	S	S	*	*			trans	-65.8	101.2	170.8	-104.5	144.9	0	0	0	109.4	K364	K364-L366 PolarHBondContact O-N 2.97Å
367	Q	28.7	Very low	34.9	Very low	183 Å²	183	135.6 Å²	135.6	86%	0.855	76%	0.764	S	S	*	*			trans	-103.5	94	161.8	-174	174.6	40.1	0	0	107.7	P365	P365-Q367 PolarHBondContact O-N 3.15Å
368	N	25.3	Very low	33.5	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	78%	0.779	S	S	*	*			trans	-178.2	142.4	135.3	-122.2	-17.7	0	0	0	111
369	G	31	Very low	32.1	Very low	67 Å²	67	141.8 Å²	141.8	69%	0.691	78%	0.784	S	S	*	*			trans	-69.4	168.6	169.8	0	0	0	0	0	112.8
370	R	21.7	Very low	30.6	Very low	251 Å²	251	141.7 Å²	141.7	95%	0.947	79%	0.79	S	S	*	*			trans	107.1	122.9	163.3	-137.7	171	-166	169.4	1.8	114.9
371	H	32.1	Very low	29.7	Very low	171 Å²	171	144.1 Å²	144.1	79%	0.792	79%	0.791	S	S	*	*			trans	-41.2	144	172.3	-81.6	-134.1	0	0	0	113.2
372	E	22.8	Very low	28.4	Very low	184 Å²	184	148.6 Å²	148.6	86%	0.86	81%	0.806	S	S	*	*			trans	-152.1	134.3	132.9	-97.9	178.5	-177.4	0	0	110.6
373	N	32.1	Very low	27.8	Very low	147 Å²	147	149.9 Å²	149.9	79%	0.786	80%	0.803	S	S	*	*			trans	-72.6	143.7	167	-62.2	-59.8	0	0	0	109
374	I	27.9	Very low	27.3	Very low	151 Å²	151	151.1 Å²	151.1	77%	0.774	81%	0.809	S	S	*	*			trans	-173.2	104	151.1	-85.5	134.6	0	0	0	104.7
375	E	26.7	Very low	27.1	Very low	169 Å²	169	151 Å²	151	79%	0.79	81%	0.812	S	S	*	*				61.2	115.7	83.8	-123.5	-179.4	178.3	0	0	115.7
376	N	26.4	Very low	26.8	Very low	157 Å²	157	152.5 Å²	152.5	84%	0.84	81%	0.813	S	S	*	*			trans	29.5	130.6	153.6	-69	-25.8	0	0	0	122.1
377	G	25.2	Very low	26.5	Very low	73 Å²	73	150 Å²	150	75%	0.753	81%	0.807	S	S	*	*			trans	141.5	115.4	135.8	0	0	0	0	0	117
378	N	25.4	Very low	26.4	Very low	157 Å²	157	149.8 Å²	149.8	84%	0.84	81%	0.806	S	S	*	*			trans	14.2	145.2	147.6	-63.3	-13.2	0	0	0	120.4
379	V	25.9	Very low	26.3	Very low	131 Å²	131	151.2 Å²	151.2	79%	0.794	81%	0.808	S	S	*	*				164	163.1	87.5	170.8	0	0	0	0	105.9
380	P	27.9	Very low	26	Very low	117 Å²	117	155.5 Å²	155.5	76%	0.76	82%	0.815	S	S	*	*			cis	-123.7	170.7	-23.5	28.8	-9.3	0	0	0	114.2
381	V	27.1	Very low	26.1	Very low	120 Å²	120	152.9 Å²	152.9	73%	0.727	81%	0.814	S	S	*	*			trans	-92.3	137.3	168.3	170.7	0	0	0	0	109.7
382	E	22.7	Very low	25.8	Very low	193 Å²	193	153.8 Å²	153.8	90%	0.902	82%	0.818	S	S	*	*			trans	-118.1	122.4	156.2	-92.6	-175.8	160.9	0	0	108.7
383	N	23.6	Very low	26.1	Very low	142 Å²	142	154.3 Å²	154.3	76%	0.759	82%	0.821	S	S	*	*			trans	-101.2	148.4	163.3	-81.2	-10.4	0	0	0	107.7
384	P	28.8	Very low	25.8	Very low	114 Å²	114	156.1 Å²	156.1	74%	0.74	83%	0.825	S	S	*	*				-139.2	144	108.6	15.8	6	0	0	0	115.6
385	E	23.8	Very low	25.8	Very low	190 Å²	190	154.2 Å²	154.2	89%	0.888	82%	0.822	S	S	*	*			trans	79.9	108.8	140.1	-64.5	176.5	174.2	0	0	121.3
386	D	24.8	Very low	26.1	Very low	152 Å²	152	151.6 Å²	151.6	81%	0.813	82%	0.82	S	S	*	*			trans	-64.1	156.5	163	-79	-52	0	0	0	112.7
387	P	26	Very low	26.4	Very low	128 Å²	128	150.2 Å²	150.2	83%	0.831	82%	0.82	S	S	*	*				-128.1	141.1	105.9	7.7	12.9	0	0	0	114.5
388	Q	26.4	Very low	26.6	Very low	179 Å²	179	155.2 Å²	155.2	84%	0.836	82%	0.823	S	S	*	*			trans	-45.7	142	177.5	-65.1	167.6	-30.5	0	0	116
389	Q	24.9	Very low	27.1	Very low	182 Å²	182	153.1 Å²	153.1	85%	0.85	82%	0.818	S	S	*	*				-163.8	115.4	128.3	-107.1	166.9	17.8	0	0	112.9
390	N	23.5	Very low	27.6	Very low	157 Å²	157	152.3 Å²	152.3	84%	0.84	82%	0.816	S	S	*	*			trans	50.3	98.8	151.6	-62.3	-11.4	0	0	0	120.5
391	Q	24.6	Very low	28	Very low	197 Å²	197	152 Å²	152	92%	0.921	81%	0.814	S	S	*	*			trans	-86.2	110.7	153.7	-79.5	177.5	-3.3	0	0	110.1
392	E	26.2	Very low	28.4	Very low	189 Å²	189	152.2 Å²	152.2	88%	0.883	82%	0.818	S	S	*	*			trans	-87.9	130.6	148.8	-78.6	-178.8	130.1	0	0	108.5	Q394	E392-Q394 PolarHBondContact O-N 3.32Å
393	Q	29.1	Very low	28.8	Very low	196 Å²	196	151.6 Å²	151.6	92%	0.916	82%	0.815	S	S	*	*			trans	-65.8	122.8	178.9	-80.2	158.9	-33.5	0	0	111.3
394	Q	24.1	Very low	29.3	Very low	184 Å²	184	150.7 Å²	150.7	86%	0.86	82%	0.816	S	S	*	*			trans	-107.3	136.2	163	-92.6	174	-5	0	0	110.9	E392	E392-Q394 PolarHBondContact O-N 3.32Å
395	P	28.6	Very low	29.6	Very low	111 Å²	111	152.7 Å²	152.7	72%	0.721	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-72.1	164.4	178.6	-4.9	21.9	0	0	0	111.6
396	P	32.1	Very low	30	Very low	114 Å²	114	148 Å²	148	74%	0.74	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-60.6	149.9	-176.6	24.6	-33	0	0	0	112.4	Q398	P396-Q398 PolarHBondContact O-N 3.02Å
397	P	32.9	Very low	30.8	Very low	129 Å²	129	146.2 Å²	146.2	84%	0.838	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.1	127.2	-174.1	-1.3	12.4	0	0	0	110.5
398	Q	31.3	Very low	31.5	Very low	177 Å²	177	146.7 Å²	146.7	83%	0.827	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.2	150.9	169.1	-69.5	-176.5	-2.8	0	0	110.3	P396	P396-Q398 PolarHBondContact O-N 3.02Å
399	P	34.8	Very low	32.1	Very low	113 Å²	113	140.2 Å²	140.2	73%	0.734	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-57.7	143.2	170.8	-4.3	15.3	0	0	0	109.3
400	P	36.1	Very low	32.7	Very low	115 Å²	115	134.1 Å²	134.1	75%	0.747	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-57.4	139.3	177.7	23.7	-31.6	0	0	0	109.5
401	P	37.1	Very low	33.5	Very low	111 Å²	111	129.9 Å²	129.9	72%	0.721	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-59.4	152	173.5	25.2	-31.2	0	0	0	109.5	E403	P401-E403 PolarHBondContact O-N 3.42Å
402	P	35.1	Very low	34.7	Very low	124 Å²	124	122.2 Å²	122.2	81%	0.805	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-53.4	136.6	171.7	23.4	-31.4	0	0	0	109.1
403	E	32.2	Very low	35.7	Very low	179 Å²	179	115.2 Å²	115.2	84%	0.836	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-49.1	134.8	175	-73	174.7	168	0	0	109.5	P401 E405	P401-E403 PolarHBondContact O-N 3.42Å; E403-E405 PolarHBondContact O-N 3.44Å; E403-E405 VanDerWaalsContact O-N 3.14Å
404	P	33.9	Very low	36.7	Very low	123 Å²	123	106.5 Å²	106.5	80%	0.799	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-63.2	119.4	175.7	25	-30.2	0	0	0	108.2
405	E	33.7	Very low	38	Very low	157 Å²	157	106.2 Å²	106.2	73%	0.734	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-54.9	145.9	165.9	-68.5	-149.2	179.4	0	0	109.4	E403 V407	E403-E405 PolarHBondContact O-N 3.44Å; E403-E405 VanDerWaalsContact O-N 3.14Å; E405-V407 PolarHBondContact O-N 3.28Å
406	P	33.6	Very low	39	Very low	90 Å²	90	103.1 Å²	103.1	58%	0.584	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-51	136.1	-176.3	18	-30.1	0	0	0	110.7	E408 A409	P406-E408 PolarHBondContact O-N 2.95Å; P406-A409 HydrophobicContact CG-CB 4.24Å; P406-A409 WeakPolarHBondContact O-CB 3.28Å; P406-A409 PolarHBondContact O-N 2.77Å
407	V	39.8	Very low	39.7	Very low	116 Å²	116	103.4 Å²	103.4	70%	0.703	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-22.6	-169.6	-173.6	0	0	0	0	112.5	E405 F411	E405-V407 PolarHBondContact O-N 3.28Å; V407-F411 HydrophobicContact CG1-CE2 4.4Å; V407-F411 WeakPolarHBondContact O-CD2 3.12Å; V407-F411 WeakPolarHBondContact O-CE2 3.4Å
408	E	41.8	Very low	40.8	Very low	137 Å²	137	98.4 Å²	98.4	64%	0.64	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-35.1	173.8	-83.8	152.3	162.8	0	0	113.9	P406 A410 F411	P406-E408 PolarHBondContact O-N 2.95Å; E408-A410 PolarHBondContact O-N 2.99Å; E408-F411 PolarHBondContact O-N 3.18Å
409	A	38.6	Very low	42	Very low	43 Å²	43	99 Å²	99	36%	0.355	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-67.7	-24.8	179.4	0	0	0	0	0	112.8	P406 F411	P406-A409 HydrophobicContact CG-CB 4.24Å; P406-A409 WeakPolarHBondContact O-CB 3.28Å; P406-A409 PolarHBondContact O-N 2.77Å; A409-F411 VanDerWaalsContact C-N 3.33Å; A409-F411 PolarHBondContact O-N 2.87Å
410	A	36.8	Very low	43.5	Very low	55 Å²	55	95.9 Å²	95.9	46%	0.455	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-73.2	-20.8	177.8	0	0	0	0	0	113.8	E408 L412 S413 S416	E408-A410 PolarHBondContact O-N 2.99Å; A410-L412 VanDerWaalsContact C-N 3.31Å; A410-S413 PolarHBondContact O-OG 3.09Å; A410-S416 PolarHBondContact O-OG 2.93Å
411	F	41.6	Very low	45	Very low	67 Å²	67	101.2 Å²	101.2	29%	0.294	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-76.3	-18.9	178.4	-78.1	-81.4	0	0	0	113.3	V407 E408 A409 P418 D423	V407-F411 HydrophobicContact CG1-CE2 4.4Å; V407-F411 WeakPolarHBondContact O-CD2 3.12Å; V407-F411 WeakPolarHBondContact O-CE2 3.4Å; E408-F411 PolarHBondContact O-N 3.18Å; A409-F411 VanDerWaalsContact C-N 3.33Å; A409-F411 PolarHBondContact O-N 2.87Å; F411-P418 HydrophobicContact CE1-CB 4.46Å; F411-P418 HydrophobicContact CE1-CG 4.41Å; F411-D423 HydrophobicContact CE1-CB 3.96Å; F411-D423 HydrophobicContact CZ-CB 4.22Å
412	L	49.1	Very low	46.3	Very low	36 Å²	36	98.2 Å²	98.2	19%	0.188	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-95.1	0.5	-173.3	-72.7	147.8	0	0	0	114.2	I116 D120 A410 P414	I116-L412 HydrophobicContact CG2-CD2 4.09Å; D120-L412 HydrophobicContact CB-CD1 4.09Å; D120-L412 HydrophobicContact CB-CD2 4.37Å; D120-L412 WeakPolarHBondContact OD1-CD1 3.39Å; D120-L412 WeakPolarHBondContact OD2-CD1 3.39Å; D120-L412 WeakPolarHBondContact OD2-CD2 3.34Å; A410-L412 VanDerWaalsContact C-N 3.31Å; L412-P414 WeakPolarHBondContact O-CD 3.32Å
413	S	47.9	Very low	47.7	Very low	43 Å²	43	94.8 Å²	94.8	30%	0.301	51%	0.511	S	S	.	.			trans	-79.7	109.9	161.7	18.4	0	0	0	0	109.2	A410 F415 S416	A410-S413 PolarHBondContact O-OG 3.09Å; S413-F415 PolarHBondContact O-N 3.31Å; S413-S416 VanDerWaalsContact CB-OG 3.3Å; S413-S416 WeakPolarHBondContact CB-OG 3.36Å; S413-S416 PolarHBondContact O-N 3.4Å; S413-S416 VanDerWaalsContact O-N 3.15Å; S413-S416 PolarHBondContact O-OG 3.34Å; S413-S416 PolarHBondContact OG-OG 3.22Å
414	P	50.7	Low	49.6	Very low	13 Å²	13	89.6 Å²	89.6	8%	0.084	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	0.4	178.7	23.2	-32.7	0	0	0	114.1	L412 W427 W431 I434 C438	L412-P414 WeakPolarHBondContact O-CD 3.32Å; P414-W427 WeakPolarHBondContact O-CZ2 3.33Å; P414-W431 PolarHBondContact O-NE1 3.22Å; P414-W431 VanDerWaalsContact O-NE1 3.13Å; P414-I434 HydrophobicContact CB-CG2 4.35Å; P414-C438 HydrophobicContact CG-CB 4.32Å
415	F	51.1	Low	51.4	Low	178 Å²	178	88.9 Å²	88.9	78%	0.781	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	1.1	-174.5	-56.9	-68.1	0	0	0	113.9	S413	S413-F415 PolarHBondContact O-N 3.31Å
416	S	49	Very low	53	Low	45 Å²	45	88.2 Å²	88.2	32%	0.315	47%	0.473	S	S	.	.			trans	-107.1	104.8	174	54.1	0	0	0	0	109.7	A410 S413 P418	A410-S416 PolarHBondContact O-OG 2.93Å; S413-S416 VanDerWaalsContact CB-OG 3.3Å; S413-S416 WeakPolarHBondContact CB-OG 3.36Å; S413-S416 PolarHBondContact O-N 3.4Å; S413-S416 VanDerWaalsContact O-N 3.15Å; S413-S416 PolarHBondContact O-OG 3.34Å; S413-S416 PolarHBondContact OG-OG 3.22Å; S416-P418 WeakPolarHBondContact O-CD 3.42Å
417	M	47.9	Very low	54.9	Low	121 Å²	121	85.8 Å²	85.8	60%	0.596	45%	0.453	S	S	*	.			trans	-73.1	121.6	174.9	-174.2	176.6	-168.6	0	0	109.3	K424	M417-K424 HydrophobicContact CE-CD 3.73Å; M417-K424 HydrophobicContact CE-CG 3.93Å; M417-K424 HydrophobicContact CG-CG 4.47Å
418	P	54.8	Low	56.6	Low	24 Å²	24	84.7 Å²	84.7	16%	0.156	45%	0.446	C	S	.	.			trans	-66.4	145.5	176.4	24.5	-31	0	0	0	111.1	F411 S416 D423 K424 W427	F411-P418 HydrophobicContact CE1-CB 4.46Å; F411-P418 HydrophobicContact CE1-CG 4.41Å; S416-P418 WeakPolarHBondContact O-CD 3.42Å; P418-D423 HydrophobicContact CB-CB 3.73Å; P418-D423 HydrophobicContact CG-CB 3.8Å; P418-K424 WeakPolarHBondContact O-CE 3.27Å; P418-K424 WeakPolarHBondContact O-CG 3.28Å; P418-W427 HydrophobicContact CG-CB 3.99Å; P418-W427 HydrophobicContact CG-CG 4.27Å
419	E	56.9	Low	58.3	Low	188 Å²	188	84.2 Å²	84.2	88%	0.879	44%	0.442	S	S	*	.	S	Bend	trans	-74.3	-29.7	-173.9	-70.1	-174	159.8	0	0	113.1	K424	E419-K424 WeakPolarHBondContact O-CE 3.26Å; E419-K424 PolarHBondContact O-NZ 3.15Å
420	A	66.9	Low	60.1	Low	49 Å²	49	82.6 Å²	82.6	41%	0.405	43%	0.428	S	S	.	.	S	Bend	trans	-78.6	142.8	-176.3	0	0	0	0	0	114	G422 D423 K424	A420-G422 PolarHBondContact O-N 2.91Å; A420-D423 HydrophobicContact CB-CB 4.25Å; A420-D423 WeakPolarHBondContact CB-OD2 3.39Å; A420-D423 PolarHBondContact O-N 3.29Å; A420-K424 WeakPolarHBondContact O-CG 3.24Å; A420-K424 PolarHBondContact O-N 2.89Å; A420-K424 VanDerWaalsContact O-N 3.08Å
421	R	66.2	Low	62.2	Low	226 Å²	226	84.3 Å²	84.3	85%	0.853	42%	0.423	S	S	*	.	H	α-helix	trans	-61.8	-39.7	-176.8	-86.4	-174	176.8	178.7	-0.3	114.1
422	G	64.6	Low	64.2	Low	48 Å²	48	84.2 Å²	84.2	50%	0.495	43%	0.429	S	S	.	.	H	α-helix	trans	-69.1	-38.7	178.7	0	0	0	0	0	112.5	A420 K424 V425 K426	A420-G422 PolarHBondContact O-N 2.91Å; G422-K424 VanDerWaalsContact C-N 3.31Å; G422-K424 PolarHBondContact O-N 3.47Å; G422-V425 PolarHBondContact O-N 3.09Å; G422-K426 PolarHBondContact O-N 3.36Å
423	D	65.4	Low	65.8	Low	52 Å²	52	83 Å²	83	28%	0.278	42%	0.423	S	S	.	.	H	α-helix	trans	-71.2	-28.6	179.7	-63.4	-21	0	0	0	112	F411 P418 A420 W427	F411-D423 HydrophobicContact CE1-CB 3.96Å; F411-D423 HydrophobicContact CZ-CB 4.22Å; P418-D423 HydrophobicContact CB-CB 3.73Å; P418-D423 HydrophobicContact CG-CB 3.8Å; A420-D423 HydrophobicContact CB-CB 4.25Å; A420-D423 WeakPolarHBondContact CB-OD2 3.39Å; A420-D423 PolarHBondContact O-N 3.29Å; D423-W427 WeakPolarHBondContact O-CB 3.48Å; D423-W427 PolarHBondContact O-N 3.18Å
424	K	71.1	Confident	67.1	Low	71 Å²	71	81.2 Å²	81.2	31%	0.309	41%	0.41	S	S	.	.	H	α-helix	trans	-63.5	-41.1	170.8	-73.5	170.2	-175.5	-178.7	0	112.5	M417 P418 E419 A420 G422 W427 V428	M417-K424 HydrophobicContact CE-CD 3.73Å; M417-K424 HydrophobicContact CE-CG 3.93Å; M417-K424 HydrophobicContact CG-CG 4.47Å; P418-K424 WeakPolarHBondContact O-CE 3.27Å; P418-K424 WeakPolarHBondContact O-CG 3.28Å; E419-K424 WeakPolarHBondContact O-CE 3.26Å; E419-K424 PolarHBondContact O-NZ 3.15Å; A420-K424 WeakPolarHBondContact O-CG 3.24Å; A420-K424 PolarHBondContact O-N 2.89Å; A420-K424 VanDerWaalsContact O-N 3.08Å; G422-K424 VanDerWaalsContact C-N 3.31Å; G422-K424 PolarHBondContact O-N 3.47Å; K424-W427 PolarHBondContact O-N 3.44Å; K424-V428 WeakPolarHBondContact O-CB 3.2Å; K424-V428 VanDerWaalsContact O-CG2 3.24Å; K424-V428 WeakPolarHBondContact O-CG2 3.3Å; K424-V428 PolarHBondContact O-N 3.26Å
425	V	71.1	Confident	68.5	Low	108 Å²	108	84.8 Å²	84.8	66%	0.655	42%	0.424	S	S	*	.	H	α-helix	trans	-68	-45.9	179.9	177.4	0	0	0	0	110.4	G422 W427 V428 F429	G422-V425 PolarHBondContact O-N 3.09Å; V425-W427 PolarHBondContact O-N 3.42Å; V425-V428 PolarHBondContact O-N 2.97Å; V425-F429 PolarHBondContact O-N 2.99Å; V425-F429 VanDerWaalsContact O-N 3.15Å
426	K	68.1	Low	70.1	Confident	142 Å²	142	79.6 Å²	79.6	62%	0.617	40%	0.404	S	S	*	.	H	α-helix	trans	-58.3	-48.3	173.5	-70.4	-177.9	177.7	-179.8	0	111	G422 V428 F429 T430	G422-K426 PolarHBondContact O-N 3.36Å; K426-V428 PolarHBondContact O-N 3.34Å; K426-F429 PolarHBondContact O-N 3Å; K426-T430 VanDerWaalsContact O-CG2 3.31Å; K426-T430 WeakPolarHBondContact O-CG2 3.25Å; K426-T430 PolarHBondContact O-N 3.43Å; K426-T430 PolarHBondContact O-OG1 3.07Å
427	W	73.7	Confident	71.7	Confident	39 Å²	39	77.4 Å²	77.4	15%	0.148	39%	0.389	C	S	.	.	H	α-helix	trans	-60.6	-43.8	179.2	-175.4	88.7	0	0	0	112.5	P414 P418 D423 K424 V425 F429 T430 W431	P414-W427 WeakPolarHBondContact O-CZ2 3.33Å; P418-W427 HydrophobicContact CG-CB 3.99Å; P418-W427 HydrophobicContact CG-CG 4.27Å; D423-W427 WeakPolarHBondContact O-CB 3.48Å; D423-W427 PolarHBondContact O-N 3.18Å; K424-W427 PolarHBondContact O-N 3.44Å; V425-W427 PolarHBondContact O-N 3.42Å; W427-F429 VanDerWaalsContact C-N 3.3Å; W427-F429 PolarHBondContact O-N 3.36Å; W427-T430 PolarHBondContact O-N 3.29Å; W427-T430 PolarHBondContact O-OG1 2.87Å; W427-W431 AromaticContact CE2-CD1 3.65Å; W427-W431 AromaticContact CH2-CD1 3.31Å; W427-W431 HydrophobicContact CH2-CG 4.17Å; W427-W431 AromaticContact CH2-NE1 3.51Å; W427-W431 AromaticContact CZ2-CD1 3.22Å; W427-W431 HydrophobicContact CZ2-CG 4.34Å; W427-W431 AromaticContact CZ2-NE1 3.55Å; W427-W431 AromaticContact CZ3-CD1 3.83Å; W427-W431 HydrophobicContact CZ3-CG 4.32Å; W427-W431 WeakPolarHBondContact O-CA 3.5Å; W427-W431 WeakPolarHBondContact O-CB 3.48Å; W427-W431 PolarHBondContact O-N 2.92Å
428	V	76.3	Confident	73.1	Confident	94 Å²	94	73.9 Å²	73.9	57%	0.57	38%	0.376	S	S	*	.	H	α-helix	trans	-62	-39.4	177.8	168.4	0	0	0	0	111.7	K424 V425 K426	K424-V428 WeakPolarHBondContact O-CB 3.2Å; K424-V428 VanDerWaalsContact O-CG2 3.24Å; K424-V428 WeakPolarHBondContact O-CG2 3.3Å; K424-V428 PolarHBondContact O-N 3.26Å; V425-V428 PolarHBondContact O-N 2.97Å; K426-V428 PolarHBondContact O-N 3.34Å
429	F	76.9	Confident	74.2	Confident	126 Å²	126	74.6 Å²	74.6	55%	0.553	38%	0.379	S	S	*	.	H	α-helix	trans	-69.7	-37.4	178.3	-176	-110.1	0	0	0	112.5	Y109 V425 K426 W427 P432	Y109-F429 HydrophobicContact CD2-CD1 4.08Å; Y109-F429 AromaticContact CD2-CE1 3.27Å; Y109-F429 HydrophobicContact CD2-CE1 3.27Å; Y109-F429 HydrophobicContact CD2-CE2 4.46Å; Y109-F429 AromaticContact CD2-CZ 3.49Å; Y109-F429 HydrophobicContact CD2-CZ 3.49Å; Y109-F429 VanDerWaalsContact CD2-CZ 3.49Å; Y109-F429 HydrophobicContact CE2-CD1 4.14Å; Y109-F429 AromaticContact CE2-CE1 3.75Å; Y109-F429 HydrophobicContact CE2-CE1 3.75Å; Y109-F429 AromaticContact CE2-CZ 3.99Å; Y109-F429 HydrophobicContact CE2-CZ 3.99Å; Y109-F429 HydrophobicContact CG-CE1 4.28Å; Y109-F429 HydrophobicContact CG-CZ 4.17Å; V425-F429 PolarHBondContact O-N 2.99Å; V425-F429 VanDerWaalsContact O-N 3.15Å; K426-F429 PolarHBondContact O-N 3Å; W427-F429 VanDerWaalsContact C-N 3.3Å; W427-F429 PolarHBondContact O-N 3.36Å; F429-P432 WeakPolarHBondContact O-CD 3.09Å
430	T	76.1	Confident	75.4	Confident	10 Å²	10	66.9 Å²	66.9	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-88.9	-15.8	-178.4	61.2	0	0	0	0	113.3	Y112 K426 W427 L433 I434	Y112-T430 HydrophobicContact CD1-CG2 4.04Å; Y112-T430 HydrophobicContact CE1-CG2 3.25Å; K426-T430 VanDerWaalsContact O-CG2 3.31Å; K426-T430 WeakPolarHBondContact O-CG2 3.25Å; K426-T430 PolarHBondContact O-N 3.43Å; K426-T430 PolarHBondContact O-OG1 3.07Å; W427-T430 PolarHBondContact O-N 3.29Å; W427-T430 PolarHBondContact O-OG1 2.87Å; T430-L433 WeakPolarHBondContact O-CB 3.46Å; T430-L433 PolarHBondContact O-N 3.3Å; T430-I434 WeakPolarHBondContact O-CG1 3.37Å; T430-I434 PolarHBondContact O-N 2.94Å
431	W	81.8	Confident	76.2	Confident	91 Å²	91	64.6 Å²	64.6	35%	0.345	33%	0.326	S	S	.	.	H	α-helix	trans	-52.5	-48.7	-179.3	-168.1	81.7	0	0	0	114.8	P414 W427 L433 I434 F435	P414-W431 PolarHBondContact O-NE1 3.22Å; P414-W431 VanDerWaalsContact O-NE1 3.13Å; W427-W431 AromaticContact CE2-CD1 3.65Å; W427-W431 AromaticContact CH2-CD1 3.31Å; W427-W431 HydrophobicContact CH2-CG 4.17Å; W427-W431 AromaticContact CH2-NE1 3.51Å; W427-W431 AromaticContact CZ2-CD1 3.22Å; W427-W431 HydrophobicContact CZ2-CG 4.34Å; W427-W431 AromaticContact CZ2-NE1 3.55Å; W427-W431 AromaticContact CZ3-CD1 3.83Å; W427-W431 HydrophobicContact CZ3-CG 4.32Å; W427-W431 WeakPolarHBondContact O-CA 3.5Å; W427-W431 WeakPolarHBondContact O-CB 3.48Å; W427-W431 PolarHBondContact O-N 2.92Å; W431-L433 VanDerWaalsContact C-N 3.3Å; W431-L433 PolarHBondContact O-N 3.4Å; W431-I434 PolarHBondContact O-N 3.1Å; W431-F435 HydrophobicContact CH2-CD2 4.28Å; W431-F435 HydrophobicContact CH2-CG 4.32Å; W431-F435 HydrophobicContact CZ2-CD2 4.18Å; W431-F435 WeakPolarHBondContact O-CB 3.37Å; W431-F435 PolarHBondContact O-N 2.74Å
432	P	83.1	Confident	76.9	Confident	65 Å²	65	55.1 Å²	55.1	42%	0.422	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-38.1	-179.6	23.2	-33	0	0	0	112.2	F429 L436	F429-P432 WeakPolarHBondContact O-CD 3.09Å; P432-L436 VanDerWaalsContact O-CB 3.25Å; P432-L436 WeakPolarHBondContact O-CB 3.49Å; P432-L436 PolarHBondContact O-N 2.92Å
433	L	81.8	Confident	77.7	Confident	10 Å²	10	54.7 Å²	54.7	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-53.5	175.2	-172.7	78.3	0	0	0	111.1	Y109 A113 I116 T430 W431 F435 L436 L437 F467	Y109-L433 HydrophobicContact CE1-CD1 4.47Å; Y109-L433 WeakPolarHBondContact OH-CB 3.19Å; A113-L433 HydrophobicContact CB-CD1 3.74Å; A113-L433 HydrophobicContact CB-CD2 3.44Å; A113-L433 VanDerWaalsContact CB-CD2 3.44Å; A113-L433 HydrophobicContact CB-CG 4.21Å; I116-L433 HydrophobicContact CD1-CD2 4.11Å; T430-L433 WeakPolarHBondContact O-CB 3.46Å; T430-L433 PolarHBondContact O-N 3.3Å; W431-L433 VanDerWaalsContact C-N 3.3Å; W431-L433 PolarHBondContact O-N 3.4Å; L433-F435 VanDerWaalsContact C-N 3.26Å; L433-F435 PolarHBondContact O-N 3.32Å; L433-L436 PolarHBondContact O-N 2.92Å; L433-L436 VanDerWaalsContact O-N 3.15Å; L433-L437 HydrophobicContact CD1-CD1 4.47Å; L433-L437 HydrophobicContact CD2-CD1 4.28Å; L433-L437 HydrophobicContact CG-CD1 3.92Å; L433-L437 HydrophobicContact CG-CG 4.4Å; L433-L437 WeakPolarHBondContact O-CB 3.44Å; L433-L437 VanDerWaalsContact O-CG 3.31Å; L433-L437 WeakPolarHBondContact O-CG 3.39Å; L433-L437 PolarHBondContact O-N 3.46Å; L433-F467 HydrophobicContact CD1-CE1 4.36Å; L433-F467 HydrophobicContact CD1-CE2 4.21Å; L433-F467 HydrophobicContact CD1-CZ 3.66Å
434	I	76.5	Confident	78.4	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-38	-178.2	-65.9	169.3	0	0	0	110.3	P414 T430 W431 C438	P414-I434 HydrophobicContact CB-CG2 4.35Å; T430-I434 WeakPolarHBondContact O-CG1 3.37Å; T430-I434 PolarHBondContact O-N 2.94Å; W431-I434 PolarHBondContact O-N 3.1Å; I434-C438 WeakPolarHBondContact O-CB 3.49Å; I434-C438 PolarHBondContact O-N 3.27Å; I434-C438 PolarHBondContact O-SG 3.44Å
435	F	80	Confident	78.5	Confident	88 Å²	88	52.7 Å²	52.7	39%	0.386	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-48.8	174.6	179.3	-98.7	0	0	0	111.3	W431 L433 L437 C438 V439	W431-F435 HydrophobicContact CH2-CD2 4.28Å; W431-F435 HydrophobicContact CH2-CG 4.32Å; W431-F435 HydrophobicContact CZ2-CD2 4.18Å; W431-F435 WeakPolarHBondContact O-CB 3.37Å; W431-F435 PolarHBondContact O-N 2.74Å; L433-F435 VanDerWaalsContact C-N 3.26Å; L433-F435 PolarHBondContact O-N 3.32Å; F435-L437 PolarHBondContact O-N 2.92Å; F435-C438 PolarHBondContact O-N 2.86Å; F435-V439 HydrophobicContact CD1-CG2 4.4Å; F435-V439 HydrophobicContact CD2-CG2 4.42Å; F435-V439 HydrophobicContact CE1-CG2 4.05Å; F435-V439 HydrophobicContact CE2-CG2 4.08Å; F435-V439 HydrophobicContact CZ-CG2 3.88Å; F435-V439 WeakPolarHBondContact O-CB 3.31Å; F435-V439 VanDerWaalsContact O-CG2 3.24Å; F435-V439 WeakPolarHBondContact O-CG2 3.2Å; F435-V439 PolarHBondContact O-N 2.9Å
436	L	83.6	Confident	78.7	Confident	68 Å²	68	53 Å²	53	36%	0.356	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-45.1	177.3	175.2	157.9	0	0	0	111.5	P432 L433 V439 T440 W463	P432-L436 VanDerWaalsContact O-CB 3.25Å; P432-L436 WeakPolarHBondContact O-CB 3.49Å; P432-L436 PolarHBondContact O-N 2.92Å; L433-L436 PolarHBondContact O-N 2.92Å; L433-L436 VanDerWaalsContact O-N 3.15Å; L436-V439 PolarHBondContact O-N 3.49Å; L436-T440 WeakPolarHBondContact O-CB 3.31Å; L436-T440 VanDerWaalsContact O-CG2 3.26Å; L436-T440 WeakPolarHBondContact O-CG2 3.36Å; L436-T440 PolarHBondContact O-N 3.31Å; L436-T440 VanDerWaalsContact O-N 3.08Å; L436-T440 PolarHBondContact O-OG1 3.37Å; L436-W463 HydrophobicContact CD1-CH2 4.14Å; L436-W463 HydrophobicContact CD2-CD2 4.44Å; L436-W463 HydrophobicContact CD2-CE3 4.43Å; L436-W463 HydrophobicContact CD2-CH2 3.41Å; L436-W463 VanDerWaalsContact CD2-CH2 3.41Å; L436-W463 HydrophobicContact CD2-CZ2 3.35Å; L436-W463 HydrophobicContact CD2-CZ3 3.95Å; L436-W463 HydrophobicContact CG-CH2 4.19Å; L436-W463 HydrophobicContact CG-CZ2 4.22Å
437	L	82.8	Confident	78.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-42.5	177.1	-67.3	176.3	0	0	0	112	I116 V117 F121 L433 F435 V439 T440 I441 W463 F467	I116-L437 HydrophobicContact CG2-CD1 3.94Å; V117-L437 HydrophobicContact CG2-CD1 3.59Å; V117-L437 HydrophobicContact CG2-CD2 3.61Å; V117-L437 HydrophobicContact CG2-CG 4.25Å; F121-L437 HydrophobicContact CE2-CB 4.35Å; F121-L437 HydrophobicContact CZ-CB 4.4Å; L433-L437 HydrophobicContact CD1-CD1 4.47Å; L433-L437 HydrophobicContact CD2-CD1 4.28Å; L433-L437 HydrophobicContact CG-CD1 3.92Å; L433-L437 HydrophobicContact CG-CG 4.4Å; L433-L437 WeakPolarHBondContact O-CB 3.44Å; L433-L437 VanDerWaalsContact O-CG 3.31Å; L433-L437 WeakPolarHBondContact O-CG 3.39Å; L433-L437 PolarHBondContact O-N 3.46Å; F435-L437 PolarHBondContact O-N 2.92Å; L437-V439 VanDerWaalsContact C-N 3.3Å; L437-V439 PolarHBondContact O-N 3.5Å; L437-T440 PolarHBondContact O-N 3.42Å; L437-T440 PolarHBondContact O-OG1 3.28Å; L437-I441 HydrophobicContact CD2-CD1 3.88Å; L437-I441 WeakPolarHBondContact O-CB 3.43Å; L437-I441 PolarHBondContact O-N 2.99Å; L437-W463 HydrophobicContact CD2-CB 4.49Å; L437-W463 HydrophobicContact CD2-CD2 4.2Å; L437-W463 HydrophobicContact CD2-CG 4.08Å; L437-F467 HydrophobicContact CD1-CE2 4.47Å; L437-F467 HydrophobicContact CD2-CE2 3.96Å; L437-F467 HydrophobicContact CD2-CZ 4.06Å
438	C	76.9	Confident	78.6	Confident	47 Å²	47	59.9 Å²	59.9	32%	0.318	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-30.8	177.5	-77.3	0	0	0	0	113.4	P414 I434 F435	P414-C438 HydrophobicContact CG-CB 4.32Å; I434-C438 WeakPolarHBondContact O-CB 3.49Å; I434-C438 PolarHBondContact O-N 3.27Å; I434-C438 PolarHBondContact O-SG 3.44Å; F435-C438 PolarHBondContact O-N 2.86Å
439	V	79.5	Confident	78.4	Confident	38 Å²	38	59.5 Å²	59.5	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-76.6	-34.3	176.9	169.4	0	0	0	0	111	F25 F435 L436 L437	F25-V439 HydrophobicContact CD1-CG1 4.07Å; F25-V439 HydrophobicContact CE1-CG1 4.23Å; F435-V439 HydrophobicContact CD1-CG2 4.4Å; F435-V439 HydrophobicContact CD2-CG2 4.42Å; F435-V439 HydrophobicContact CE1-CG2 4.05Å; F435-V439 HydrophobicContact CE2-CG2 4.08Å; F435-V439 HydrophobicContact CZ-CG2 3.88Å; F435-V439 WeakPolarHBondContact O-CB 3.31Å; F435-V439 VanDerWaalsContact O-CG2 3.24Å; F435-V439 WeakPolarHBondContact O-CG2 3.2Å; F435-V439 PolarHBondContact O-N 2.9Å; L436-V439 PolarHBondContact O-N 3.49Å; L437-V439 VanDerWaalsContact C-N 3.3Å; L437-V439 PolarHBondContact O-N 3.5Å
440	T	82	Confident	78.4	Confident	26 Å²	26	57 Å²	57	16%	0.16	29%	0.287	C	S	.	.	H	α-helix	trans	-96.1	-33.2	-171.6	55.2	0	0	0	0	113.6	L436 L437 W463	L436-T440 WeakPolarHBondContact O-CB 3.31Å; L436-T440 VanDerWaalsContact O-CG2 3.26Å; L436-T440 WeakPolarHBondContact O-CG2 3.36Å; L436-T440 PolarHBondContact O-N 3.31Å; L436-T440 VanDerWaalsContact O-N 3.08Å; L436-T440 PolarHBondContact O-OG1 3.37Å; L437-T440 PolarHBondContact O-N 3.42Å; L437-T440 PolarHBondContact O-OG1 3.28Å; T440-W463 HydrophobicContact CG2-CZ2 4.14Å; T440-W463 PolarHBondContact OG1-NE1 2.83Å
441	I	83.7	Confident	78.6	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	32%	0.322	C	S	.	.	S	Bend	trans	-105.9	115.4	-178.1	-53	176.7	0	0	0	109.8	V117 F121 L437 N443 T456 A460 W463	V117-I441 HydrophobicContact CG1-CD1 4.23Å; F121-I441 HydrophobicContact CB-CD1 4.49Å; F121-I441 HydrophobicContact CB-CG2 4.05Å; F121-I441 HydrophobicContact CD1-CB 3.93Å; F121-I441 HydrophobicContact CD1-CG2 3.43Å; F121-I441 VanDerWaalsContact CD1-CG2 3.43Å; F121-I441 HydrophobicContact CD2-CD1 4.48Å; F121-I441 HydrophobicContact CE1-CB 4.1Å; F121-I441 HydrophobicContact CE1-CG2 4.09Å; F121-I441 HydrophobicContact CG-CB 4.49Å; F121-I441 HydrophobicContact CG-CD1 4.27Å; F121-I441 HydrophobicContact CG-CG2 3.95Å; L437-I441 HydrophobicContact CD2-CD1 3.88Å; L437-I441 WeakPolarHBondContact O-CB 3.43Å; L437-I441 PolarHBondContact O-N 2.99Å; I441-N443 PolarHBondContact O-N 2.91Å; I441-T456 HydrophobicContact CG2-CG2 3.82Å; I441-A460 HydrophobicContact CD1-CB 4.38Å; I441-W463 HydrophobicContact CD1-CB 4.45Å; I441-W463 HydrophobicContact CD1-CG 4.31Å
442	P	81.2	Confident	78.7	Confident	27 Å²	27	65.8 Å²	65.8	18%	0.175	33%	0.327	C	S	.	.			trans	-68.6	116.4	171.6	27.5	-30.1	0	0	0	109.1	C444 W449 V455 T456	P442-C444 PolarHBondContact O-N 3.46Å; P442-W449 HydrophobicContact CB-CD2 4.39Å; P442-W449 HydrophobicContact CB-CE3 3.94Å; P442-W449 HydrophobicContact CB-CZ3 4.35Å; P442-V455 HydrophobicContact CG-CB 4.4Å; P442-V455 HydrophobicContact CG-CG1 4Å; P442-T456 WeakPolarHBondContact O-CB 3.21Å; P442-T456 WeakPolarHBondContact O-CG2 3.45Å; P442-T456 PolarHBondContact O-OG1 3.4Å
443	N	80.3	Confident	78.8	Confident	38 Å²	38	64.1 Å²	64.1	20%	0.203	31%	0.313	C	S	.	.			trans	-72.1	114.4	179.7	-179.2	-58	0	0	0	111	F121 I441 S445 K446 W449	F121-N443 HydrophobicContact CD1-CB 4.34Å; F121-N443 HydrophobicContact CE1-CB 4.05Å; I441-N443 PolarHBondContact O-N 2.91Å; N443-S445 WeakPolarHBondContact OD1-CA 3.47Å; N443-S445 WeakPolarHBondContact OD1-CB 3.28Å; N443-S445 PolarHBondContact OD1-N 3.38Å; N443-S445 PolarHBondContact OD1-OG 3.45Å; N443-K446 PolarHBondContact OD1-N 3.2Å; N443-W449 VanDerWaalsContact O-CB 3.31Å; N443-W449 WeakPolarHBondContact O-CB 3.5Å
444	C	80.3	Confident	79.1	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.061	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.5	-178.1	58.2	0	0	0	0	114.2	P442 K446 F453 T456	P442-C444 PolarHBondContact O-N 3.46Å; C444-K446 PolarHBondContact O-N 3.26Å; C444-F453 HydrophobicContact CB-CB 4.16Å; C444-T456 HydrophobicContact CB-CG2 4.27Å
445	S	72.4	Confident	79.7	Confident	73 Å²	73	70.9 Å²	70.9	51%	0.51	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.4	176	-37.8	0	0	0	0	112.1	P124 N443	P124-S445 WeakPolarHBondContact CB-OG 3.43Å; N443-S445 WeakPolarHBondContact OD1-CA 3.47Å; N443-S445 WeakPolarHBondContact OD1-CB 3.28Å; N443-S445 PolarHBondContact OD1-N 3.38Å; N443-S445 PolarHBondContact OD1-OG 3.45Å
446	K	76.3	Confident	80.1	Confident	115 Å²	115	66.7 Å²	66.7	50%	0.5	33%	0.332	S	S	.	.	S	Bend	trans	-84.2	134.1	174.2	-66.6	-179	-176.2	171.5	0	111	N443 C444 R448 W449 E450	N443-K446 PolarHBondContact OD1-N 3.2Å; C444-K446 PolarHBondContact O-N 3.26Å; K446-R448 PolarHBondContact O-N 3.28Å; K446-W449 PolarHBondContact O-N 2.89Å; K446-E450 PolarHBondContact O-N 2.92Å
447	P	70.4	Confident	80.4	Confident	116 Å²	116	66 Å²	66	75%	0.753	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-14.3	-175.7	23.4	-34.5	0	0	0	114.4
448	R	68.6	Low	80.8	Confident	208 Å²	208	70.5 Å²	70.5	79%	0.785	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-25.8	176.1	-59.6	-174.9	-163.2	150.9	9.4	113.3	K446	K446-R448 PolarHBondContact O-N 3.28Å
449	W	73.1	Confident	81.4	Confident	86 Å²	86	69.8 Å²	69.8	33%	0.326	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	5.6	-171.2	-63.8	98.3	0	0	0	113	P442 N443 K446 K451 F452	P442-W449 HydrophobicContact CB-CD2 4.39Å; P442-W449 HydrophobicContact CB-CE3 3.94Å; P442-W449 HydrophobicContact CB-CZ3 4.35Å; N443-W449 VanDerWaalsContact O-CB 3.31Å; N443-W449 WeakPolarHBondContact O-CB 3.5Å; K446-W449 PolarHBondContact O-N 2.89Å; W449-K451 PolarHBondContact O-N 3.17Å; W449-F452 HydrophobicContact CE3-CB 4.47Å; W449-F452 AromaticContact CE3-CD2 3.73Å; W449-F452 HydrophobicContact CE3-CD2 3.73Å; W449-F452 HydrophobicContact CE3-CE2 4.2Å; W449-F452 HydrophobicContact CE3-CG 4.19Å; W449-F452 HydrophobicContact CZ3-CD2 4.3Å; W449-F452 HydrophobicContact CZ3-CE2 4.42Å; W449-F452 PolarHBondContact O-N 2.61Å
450	E	75.8	Confident	82	Confident	73 Å²	73	68 Å²	68	34%	0.341	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-51.2	-32.5	179.3	-168.9	-168.8	162.1	0	0	113.2	K128 K446 F452 F453	K128-E450 HydrophobicContact CD-CG 4.19Å; K128-E450 WeakPolarHBondContact CE-OE1 3.48Å; K128-E450 IonicContact NZ-OE1 2.75Å; K128-E450 PolarHBondContact NZ-OE1 2.93Å; K446-E450 PolarHBondContact O-N 2.92Å; E450-F452 VanDerWaalsContact C-N 3.29Å; E450-F452 PolarHBondContact O-N 3.46Å; E450-F453 WeakPolarHBondContact O-CD1 3.03Å
451	K	79.8	Confident	82.4	Confident	184 Å²	184	68.4 Å²	68.4	80%	0.8	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-73.2	-18.1	178.2	-63.5	-173.8	-178.5	-176.8	0	114.1	W449 F453	W449-K451 PolarHBondContact O-N 3.17Å; K451-F453 VanDerWaalsContact C-N 3.34Å
452	F	84.3	Confident	82.8	Confident	102 Å²	102	73.4 Å²	73.4	45%	0.447	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-95.5	16.8	-178.2	-69	-85.2	0	0	0	112.7	W449 E450 M454 V455 T456	W449-F452 HydrophobicContact CE3-CB 4.47Å; W449-F452 AromaticContact CE3-CD2 3.73Å; W449-F452 HydrophobicContact CE3-CD2 3.73Å; W449-F452 HydrophobicContact CE3-CE2 4.2Å; W449-F452 HydrophobicContact CE3-CG 4.19Å; W449-F452 HydrophobicContact CZ3-CD2 4.3Å; W449-F452 HydrophobicContact CZ3-CE2 4.42Å; W449-F452 PolarHBondContact O-N 2.61Å; E450-F452 VanDerWaalsContact C-N 3.29Å; E450-F452 PolarHBondContact O-N 3.46Å; F452-M454 PolarHBondContact O-N 2.8Å; F452-M454 VanDerWaalsContact O-N 3.13Å; F452-V455 HydrophobicContact CB-CB 4.49Å; F452-V455 HydrophobicContact CD1-CG2 4.2Å; F452-V455 WeakPolarHBondContact O-CA 3.47Å; F452-V455 WeakPolarHBondContact O-CB 3.38Å; F452-V455 PolarHBondContact O-N 2.96Å; F452-T456 PolarHBondContact O-N 3.14Å; F452-T456 PolarHBondContact O-OG1 3.03Å
453	F	85.8	Confident	83.4	Confident	30 Å²	30	74.8 Å²	74.8	13%	0.132	36%	0.363	C	S	.	.	H	α-helix	trans	-51.9	-37.2	-177.9	71.1	-88.5	0	0	0	113.9	K128 I129 R132 C444 E450 K451 V455 T456 F457	K128-F453 HydrophobicContact CB-CB 3.99Å; K128-F453 HydrophobicContact CB-CD2 4.38Å; K128-F453 HydrophobicContact CB-CG 4.21Å; K128-F453 HydrophobicContact CG-CB 3.91Å; K128-F453 HydrophobicContact CG-CD1 4.17Å; K128-F453 HydrophobicContact CG-CD2 4.41Å; K128-F453 HydrophobicContact CG-CG 3.91Å; I129-F453 HydrophobicContact CG1-CD2 3.69Å; I129-F453 HydrophobicContact CG1-CE2 3.7Å; R132-F453 HydrophobicContact CG-CE1 4.33Å; R132-F453 HydrophobicContact CG-CZ 4.03Å; C444-F453 HydrophobicContact CB-CB 4.16Å; E450-F453 WeakPolarHBondContact O-CD1 3.03Å; K451-F453 VanDerWaalsContact C-N 3.34Å; F453-V455 PolarHBondContact O-N 2.78Å; F453-T456 WeakPolarHBondContact O-CB 3.5Å; F453-T456 PolarHBondContact O-N 3.3Å; F453-F457 WeakPolarHBondContact O-CB 3.43Å; F453-F457 PolarHBondContact O-N 3.11Å
454	M	88.4	Confident	84	Confident	90 Å²	90	73 Å²	73	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-67	-33.6	175.3	-70.9	-58.3	-62.7	0	0	113.4	I129 F452 I458	I129-M454 HydrophobicContact CD1-SD 4.1Å; I129-M454 HydrophobicContact CG1-SD 4.08Å; F452-M454 PolarHBondContact O-N 2.8Å; F452-M454 VanDerWaalsContact O-N 3.13Å; M454-I458 VanDerWaalsContact O-CG1 3.31Å; M454-I458 WeakPolarHBondContact O-CG1 3.41Å; M454-I458 PolarHBondContact O-N 2.95Å; M454-I458 VanDerWaalsContact O-N 3.07Å
455	V	88.7	Confident	84.5	Confident	69 Å²	69	73.8 Å²	73.8	42%	0.418	36%	0.361	S	S	.	.	H	α-helix	trans	-71.6	-41.5	176	179.8	0	0	0	0	109.6	P442 F452 F453 F457 I458 T459	P442-V455 HydrophobicContact CG-CB 4.4Å; P442-V455 HydrophobicContact CG-CG1 4Å; F452-V455 HydrophobicContact CB-CB 4.49Å; F452-V455 HydrophobicContact CD1-CG2 4.2Å; F452-V455 WeakPolarHBondContact O-CA 3.47Å; F452-V455 WeakPolarHBondContact O-CB 3.38Å; F452-V455 PolarHBondContact O-N 2.96Å; F453-V455 PolarHBondContact O-N 2.78Å; V455-F457 VanDerWaalsContact C-N 3.33Å; V455-F457 PolarHBondContact O-N 3.41Å; V455-I458 PolarHBondContact O-N 3.36Å; V455-T459 HydrophobicContact CG1-CG2 4.26Å; V455-T459 WeakPolarHBondContact O-CB 3.44Å; V455-T459 WeakPolarHBondContact O-CG2 3.37Å; V455-T459 PolarHBondContact O-N 3Å; V455-T459 PolarHBondContact O-OG1 3.17Å
456	T	89.2	Confident	85.5	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-55.9	-49.3	171.8	-48.5	0	0	0	0	110.8	I441 P442 C444 F452 F453 T459 A460	I441-T456 HydrophobicContact CG2-CG2 3.82Å; P442-T456 WeakPolarHBondContact O-CB 3.21Å; P442-T456 WeakPolarHBondContact O-CG2 3.45Å; P442-T456 PolarHBondContact O-OG1 3.4Å; C444-T456 HydrophobicContact CB-CG2 4.27Å; F452-T456 PolarHBondContact O-N 3.14Å; F452-T456 PolarHBondContact O-OG1 3.03Å; F453-T456 WeakPolarHBondContact O-CB 3.5Å; F453-T456 PolarHBondContact O-N 3.3Å; T456-T459 PolarHBondContact O-N 2.9Å; T456-T459 PolarHBondContact O-OG1 2.93Å; T456-A460 WeakPolarHBondContact O-CB 3.48Å; T456-A460 PolarHBondContact O-N 3.2Å
457	F	89.8	Confident	86.2	Confident	53 Å²	53	68.6 Å²	68.6	23%	0.232	34%	0.335	C	S	.	.	H	α-helix	trans	-55	-56.2	177.5	-179.5	-99.2	0	0	0	111.5	F122 L126 I129 F453 V455 T459 A460 T461	F122-F457 HydrophobicContact CD2-CD2 4.03Å; F122-F457 HydrophobicContact CD2-CE2 4.13Å; F122-F457 AromaticContact CE2-CD2 3.59Å; F122-F457 HydrophobicContact CE2-CD2 3.59Å; F122-F457 AromaticContact CE2-CE2 3.25Å; F122-F457 HydrophobicContact CE2-CE2 3.25Å; F122-F457 AromaticContact CE2-CZ 3.99Å; F122-F457 HydrophobicContact CE2-CZ 3.99Å; F122-F457 HydrophobicContact CZ-CD2 4.48Å; F122-F457 AromaticContact CZ-CE2 3.78Å; F122-F457 HydrophobicContact CZ-CE2 3.78Å; F122-F457 HydrophobicContact CZ-CZ 4.41Å; L126-F457 HydrophobicContact CD2-CD2 4.2Å; L126-F457 HydrophobicContact CD2-CE2 3.58Å; L126-F457 HydrophobicContact CD2-CZ 4.48Å; L126-F457 HydrophobicContact CG-CD2 4.23Å; L126-F457 HydrophobicContact CG-CE2 3.93Å; I129-F457 HydrophobicContact CD1-CB 4.24Å; I129-F457 HydrophobicContact CD1-CD1 4.48Å; I129-F457 HydrophobicContact CD1-CD2 3.73Å; I129-F457 HydrophobicContact CD1-CE2 4.19Å; I129-F457 HydrophobicContact CD1-CG 3.89Å; F453-F457 WeakPolarHBondContact O-CB 3.43Å; F453-F457 PolarHBondContact O-N 3.11Å; V455-F457 VanDerWaalsContact C-N 3.33Å; V455-F457 PolarHBondContact O-N 3.41Å; F457-T459 PolarHBondContact O-N 3.46Å; F457-A460 PolarHBondContact O-N 3.38Å; F457-T461 WeakPolarHBondContact O-CB 3.2Å; F457-T461 PolarHBondContact O-N 2.88Å; F457-T461 PolarHBondContact O-OG1 2.71Å
458	I	90.8	Very high	87.3	Confident	95 Å²	95	63.1 Å²	63.1	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-44.5	-177.8	-65.4	166.3	0	0	0	111.9	M454 V455 T461 L462	M454-I458 VanDerWaalsContact O-CG1 3.31Å; M454-I458 WeakPolarHBondContact O-CG1 3.41Å; M454-I458 PolarHBondContact O-N 2.95Å; M454-I458 VanDerWaalsContact O-N 3.07Å; V455-I458 PolarHBondContact O-N 3.36Å; I458-T461 PolarHBondContact O-N 2.91Å; I458-L462 HydrophobicContact CG2-CD1 4.29Å; I458-L462 WeakPolarHBondContact O-CG 3.37Å; I458-L462 PolarHBondContact O-N 3.02Å
459	T	90.1	Very high	88.4	Confident	32 Å²	32	56.5 Å²	56.5	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-69.8	-36.5	-178.8	51.2	0	0	0	0	112.5	V455 T456 F457 L462 W463	V455-T459 HydrophobicContact CG1-CG2 4.26Å; V455-T459 WeakPolarHBondContact O-CB 3.44Å; V455-T459 WeakPolarHBondContact O-CG2 3.37Å; V455-T459 PolarHBondContact O-N 3Å; V455-T459 PolarHBondContact O-OG1 3.17Å; T456-T459 PolarHBondContact O-N 2.9Å; T456-T459 PolarHBondContact O-OG1 2.93Å; F457-T459 PolarHBondContact O-N 3.46Å; T459-L462 PolarHBondContact O-N 3.36Å; T459-W463 PolarHBondContact O-N 3.38Å; T459-W463 VanDerWaalsContact O-N 3.14Å
460	A	91.3	Very high	89.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-46.5	172.5	0	0	0	0	0	111.1	V117 F121 F122 I441 T456 F457 L462 W463 I464	V117-A460 HydrophobicContact CG1-CB 4.08Å; F121-A460 HydrophobicContact CB-CB 4.27Å; F122-A460 HydrophobicContact CB-CB 4.13Å; F122-A460 HydrophobicContact CD2-CB 4.23Å; I441-A460 HydrophobicContact CD1-CB 4.38Å; T456-A460 WeakPolarHBondContact O-CB 3.48Å; T456-A460 PolarHBondContact O-N 3.2Å; F457-A460 PolarHBondContact O-N 3.38Å; A460-L462 VanDerWaalsContact C-N 3.28Å; A460-L462 PolarHBondContact O-N 2.93Å; A460-W463 PolarHBondContact O-N 3.47Å; A460-W463 VanDerWaalsContact O-N 3.08Å; A460-I464 WeakPolarHBondContact O-CG1 3.47Å; A460-I464 PolarHBondContact O-N 3.25Å
461	T	91.4	Very high	90.1	Very high	35 Å²	35	51.4 Å²	51.4	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-55.7	-41.6	175.1	-58.4	0	0	0	0	112.3	F122 F155 F457 I458 I464 A465	F122-T461 WeakPolarHBondContact CE2-OG1 3.39Å; F155-T461 HydrophobicContact CE2-CG2 3.83Å; F155-T461 HydrophobicContact CZ-CG2 3.54Å; F457-T461 WeakPolarHBondContact O-CB 3.2Å; F457-T461 PolarHBondContact O-N 2.88Å; F457-T461 PolarHBondContact O-OG1 2.71Å; I458-T461 PolarHBondContact O-N 2.91Å; T461-I464 PolarHBondContact O-N 3.24Å; T461-A465 PolarHBondContact O-N 3.5Å
462	L	92.1	Very high	90.7	Very high	107 Å²	107	42.7 Å²	42.7	56%	0.56	22%	0.218	S	C	*	.	H	α-helix	trans	-63.8	-42.6	175.8	-72.7	170.1	0	0	0	112.4	I458 T459 A460 A465 V466	I458-L462 HydrophobicContact CG2-CD1 4.29Å; I458-L462 WeakPolarHBondContact O-CG 3.37Å; I458-L462 PolarHBondContact O-N 3.02Å; T459-L462 PolarHBondContact O-N 3.36Å; A460-L462 VanDerWaalsContact C-N 3.28Å; A460-L462 PolarHBondContact O-N 2.93Å; L462-A465 PolarHBondContact O-N 3.39Å; L462-V466 WeakPolarHBondContact O-CG2 3.39Å; L462-V466 PolarHBondContact O-N 3Å
463	W	92.7	Very high	91.1	Very high	55 Å²	55	40.3 Å²	40.3	21%	0.208	21%	0.206	C	C	.	.	H	α-helix	trans	-67.4	-38.1	176.8	-85.4	114.1	0	0	0	112.8	V117 L436 L437 T440 I441 T459 A460 A465 V466 F467	V117-W463 HydrophobicContact CG1-CB 4.28Å; L436-W463 HydrophobicContact CD1-CH2 4.14Å; L436-W463 HydrophobicContact CD2-CD2 4.44Å; L436-W463 HydrophobicContact CD2-CE3 4.43Å; L436-W463 HydrophobicContact CD2-CH2 3.41Å; L436-W463 VanDerWaalsContact CD2-CH2 3.41Å; L436-W463 HydrophobicContact CD2-CZ2 3.35Å; L436-W463 HydrophobicContact CD2-CZ3 3.95Å; L436-W463 HydrophobicContact CG-CH2 4.19Å; L436-W463 HydrophobicContact CG-CZ2 4.22Å; L437-W463 HydrophobicContact CD2-CB 4.49Å; L437-W463 HydrophobicContact CD2-CD2 4.2Å; L437-W463 HydrophobicContact CD2-CG 4.08Å; T440-W463 HydrophobicContact CG2-CZ2 4.14Å; T440-W463 PolarHBondContact OG1-NE1 2.83Å; I441-W463 HydrophobicContact CD1-CB 4.45Å; I441-W463 HydrophobicContact CD1-CG 4.31Å; T459-W463 PolarHBondContact O-N 3.38Å; T459-W463 VanDerWaalsContact O-N 3.14Å; A460-W463 PolarHBondContact O-N 3.47Å; A460-W463 VanDerWaalsContact O-N 3.08Å; W463-A465 VanDerWaalsContact C-N 3.32Å; W463-A465 PolarHBondContact O-N 2.86Å; W463-V466 HydrophobicContact CE3-CB 4.38Å; W463-V466 HydrophobicContact CE3-CG1 4.35Å; W463-V466 HydrophobicContact CZ3-CG1 4.21Å; W463-V466 PolarHBondContact O-N 3.42Å; W463-F467 HydrophobicContact CD2-CZ 4.32Å; W463-F467 HydrophobicContact CE3-CD1 4.05Å; W463-F467 AromaticContact CE3-CE1 3.45Å; W463-F467 HydrophobicContact CE3-CE1 3.45Å; W463-F467 VanDerWaalsContact CE3-CE1 3.45Å; W463-F467 HydrophobicContact CE3-CE2 4.18Å; W463-F467 AromaticContact CE3-CZ 3.51Å; W463-F467 HydrophobicContact CE3-CZ 3.51Å; W463-F467 HydrophobicContact CZ3-CD1 4.4Å; W463-F467 AromaticContact CZ3-CE1 3.61Å; W463-F467 HydrophobicContact CZ3-CE1 3.61Å; W463-F467 AromaticContact CZ3-CZ 3.94Å; W463-F467 HydrophobicContact CZ3-CZ 3.94Å; W463-F467 WeakPolarHBondContact O-CB 3.3Å; W463-F467 VanDerWaalsContact O-CG 3.31Å; W463-F467 WeakPolarHBondContact O-CG 3.32Å; W463-F467 PolarHBondContact O-N 3.4Å
464	I	92.3	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-47.7	172.7	-63.1	166	0	0	0	109.4	L114 V117 F122 T151 P152 F155 A460 T461 V466 F467 S468	L114-I464 HydrophobicContact CD2-CB 4.4Å; L114-I464 HydrophobicContact CD2-CG2 3.87Å; V117-I464 HydrophobicContact CB-CG1 4.3Å; V117-I464 HydrophobicContact CG1-CD1 4.26Å; V117-I464 HydrophobicContact CG1-CG1 3.66Å; F122-I464 HydrophobicContact CB-CD1 4.01Å; F122-I464 HydrophobicContact CD1-CD1 3.98Å; F122-I464 HydrophobicContact CD2-CD1 4.09Å; F122-I464 HydrophobicContact CE1-CD1 4.44Å; F122-I464 HydrophobicContact CG-CD1 3.78Å; T151-I464 HydrophobicContact CG2-CD1 3.96Å; T151-I464 HydrophobicContact CG2-CG2 4.12Å; P152-I464 HydrophobicContact CG-CG2 4.31Å; F155-I464 HydrophobicContact CD2-CB 4.23Å; F155-I464 HydrophobicContact CD2-CG2 3.59Å; F155-I464 HydrophobicContact CE2-CB 4.36Å; F155-I464 HydrophobicContact CE2-CG2 4.15Å; F155-I464 HydrophobicContact CG-CG2 4.47Å; A460-I464 WeakPolarHBondContact O-CG1 3.47Å; A460-I464 PolarHBondContact O-N 3.25Å; T461-I464 PolarHBondContact O-N 3.24Å; I464-V466 PolarHBondContact O-N 3.11Å; I464-F467 PolarHBondContact O-N 3.27Å; I464-S468 WeakPolarHBondContact O-CB 3.43Å; I464-S468 PolarHBondContact O-N 2.84Å; I464-S468 PolarHBondContact O-OG 3.09Å; I464-S468 VanDerWaalsContact O-OG 3.09Å
465	A	91.7	Very high	91.5	Very high	27 Å²	27	36 Å²	36	22%	0.223	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-44.3	177.6	0	0	0	0	0	113	F155 T461 L462 W463 Y469	F155-A465 HydrophobicContact CD1-CB 3.61Å; F155-A465 HydrophobicContact CE1-CB 3.54Å; F155-A465 HydrophobicContact CE2-CB 4.45Å; F155-A465 HydrophobicContact CG-CB 4.14Å; F155-A465 HydrophobicContact CZ-CB 3.99Å; T461-A465 PolarHBondContact O-N 3.5Å; L462-A465 PolarHBondContact O-N 3.39Å; W463-A465 VanDerWaalsContact C-N 3.32Å; W463-A465 PolarHBondContact O-N 2.86Å; A465-Y469 WeakPolarHBondContact O-CB 3.31Å; A465-Y469 PolarHBondContact O-N 2.91Å
466	V	92.3	Very high	91.6	Very high	68 Å²	68	32.8 Å²	32.8	41%	0.412	17%	0.166	S	C	.	.	H	α-helix	trans	-65.1	-45	178.1	171.2	0	0	0	0	111.3	L462 W463 I464 Y469 I470	L462-V466 WeakPolarHBondContact O-CG2 3.39Å; L462-V466 PolarHBondContact O-N 3Å; W463-V466 HydrophobicContact CE3-CB 4.38Å; W463-V466 HydrophobicContact CE3-CG1 4.35Å; W463-V466 HydrophobicContact CZ3-CG1 4.21Å; W463-V466 PolarHBondContact O-N 3.42Å; I464-V466 PolarHBondContact O-N 3.11Å; V466-Y469 PolarHBondContact O-N 3.16Å; V466-I470 HydrophobicContact CG1-CD1 4.12Å; V466-I470 WeakPolarHBondContact O-CG1 3.35Å; V466-I470 PolarHBondContact O-N 3.26Å; V466-I470 VanDerWaalsContact O-N 3.15Å
467	F	92.8	Very high	91.6	Very high	11 Å²	11	32.8 Å²	32.8	5%	0.048	17%	0.167	C	C	.	.	H	α-helix	trans	-69.7	-39.7	-179.7	-68.3	-18.9	0	0	0	112.1	M110 A113 L114 V117 L433 L437 W463 I464 Y469 I470 M471	M110-F467 HydrophobicContact CE-CB 3.66Å; M110-F467 HydrophobicContact CE-CD1 3.26Å; M110-F467 HydrophobicContact CE-CE1 4.05Å; M110-F467 HydrophobicContact CE-CG 3.66Å; A113-F467 HydrophobicContact CB-CD2 3.92Å; A113-F467 HydrophobicContact CB-CE2 3.84Å; A113-F467 HydrophobicContact CB-CG 4.46Å; A113-F467 HydrophobicContact CB-CZ 4.32Å; L114-F467 HydrophobicContact CD2-CB 3.55Å; L114-F467 HydrophobicContact CG-CB 3.78Å; V117-F467 HydrophobicContact CG2-CD2 4.04Å; V117-F467 HydrophobicContact CG2-CE2 3.66Å; L433-F467 HydrophobicContact CD1-CE1 4.36Å; L433-F467 HydrophobicContact CD1-CE2 4.21Å; L433-F467 HydrophobicContact CD1-CZ 3.66Å; L437-F467 HydrophobicContact CD1-CE2 4.47Å; L437-F467 HydrophobicContact CD2-CE2 3.96Å; L437-F467 HydrophobicContact CD2-CZ 4.06Å; W463-F467 HydrophobicContact CD2-CZ 4.32Å; W463-F467 HydrophobicContact CE3-CD1 4.05Å; W463-F467 AromaticContact CE3-CE1 3.45Å; W463-F467 HydrophobicContact CE3-CE1 3.45Å; W463-F467 VanDerWaalsContact CE3-CE1 3.45Å; W463-F467 HydrophobicContact CE3-CE2 4.18Å; W463-F467 AromaticContact CE3-CZ 3.51Å; W463-F467 HydrophobicContact CE3-CZ 3.51Å; W463-F467 HydrophobicContact CZ3-CD1 4.4Å; W463-F467 AromaticContact CZ3-CE1 3.61Å; W463-F467 HydrophobicContact CZ3-CE1 3.61Å; W463-F467 AromaticContact CZ3-CZ 3.94Å; W463-F467 HydrophobicContact CZ3-CZ 3.94Å; W463-F467 WeakPolarHBondContact O-CB 3.3Å; W463-F467 VanDerWaalsContact O-CG 3.31Å; W463-F467 WeakPolarHBondContact O-CG 3.32Å; W463-F467 PolarHBondContact O-N 3.4Å; I464-F467 PolarHBondContact O-N 3.27Å; F467-Y469 VanDerWaalsContact C-N 3.3Å; F467-Y469 PolarHBondContact O-N 3.07Å; F467-I470 PolarHBondContact O-N 3.48Å; F467-M471 WeakPolarHBondContact O-CB 3.29Å; F467-M471 PolarHBondContact O-N 3.3Å
468	S	91.9	Very high	91.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-38	172.7	-66.2	0	0	0	0	111.7	I159 I464 M471 V472	I159-S468 VanDerWaalsContact CD1-C 3.44Å; I464-S468 WeakPolarHBondContact O-CB 3.43Å; I464-S468 PolarHBondContact O-N 2.84Å; I464-S468 PolarHBondContact O-OG 3.09Å; I464-S468 VanDerWaalsContact O-OG 3.09Å; S468-M471 PolarHBondContact O-N 3.2Å; S468-V472 WeakPolarHBondContact O-CG2 3.16Å; S468-V472 PolarHBondContact O-N 3.45Å
469	Y	92.8	Very high	91.6	Very high	69 Å²	69	26.4 Å²	26.4	27%	0.271	14%	0.136	S	C	.	.	H	α-helix	trans	-61.4	-51.6	175.5	175.1	-99.1	0	0	0	112.2	F85 P86 I159 I163 A465 V466 F467 M471 V472 W473	F85-Y469 AromaticContact CD1-CE2 3.91Å; F85-Y469 HydrophobicContact CD1-CE2 3.91Å; F85-Y469 AromaticContact CD1-CZ 3.98Å; F85-Y469 HydrophobicContact CE1-CD2 4.18Å; F85-Y469 AromaticContact CE1-CE2 3.65Å; F85-Y469 HydrophobicContact CE1-CE2 3.65Å; P86-Y469 VanDerWaalsContact CD-OH 3.27Å; P86-Y469 WeakPolarHBondContact CD-OH 3.13Å; I159-Y469 VanDerWaalsContact CD1-CA 3.41Å; I159-Y469 VanDerWaalsContact CD1-N 3.27Å; I159-Y469 HydrophobicContact CG2-CD2 4.49Å; I163-Y469 HydrophobicContact CD1-CD2 3.58Å; I163-Y469 HydrophobicContact CD1-CE2 3.51Å; I163-Y469 HydrophobicContact CG2-CE2 4.38Å; A465-Y469 WeakPolarHBondContact O-CB 3.31Å; A465-Y469 PolarHBondContact O-N 2.91Å; V466-Y469 PolarHBondContact O-N 3.16Å; F467-Y469 VanDerWaalsContact C-N 3.3Å; F467-Y469 PolarHBondContact O-N 3.07Å; Y469-M471 VanDerWaalsContact C-N 3.3Å; Y469-M471 PolarHBondContact O-N 3.06Å; Y469-V472 PolarHBondContact O-N 3.38Å; Y469-W473 WeakPolarHBondContact O-CB 3.4Å; Y469-W473 PolarHBondContact O-N 3.09Å
470	I	92.4	Very high	91.6	Very high	53 Å²	53	25.5 Å²	25.5	27%	0.272	13%	0.129	S	C	.	.	H	α-helix	trans	-64.8	-39.4	179.5	-61.5	168.3	0	0	0	110.2	M110 V466 F467 W473 L474	M110-I470 HydrophobicContact CE-CB 3.88Å; M110-I470 HydrophobicContact CE-CD1 4.11Å; M110-I470 HydrophobicContact CE-CG2 4.04Å; M110-I470 HydrophobicContact CG-CG2 3.93Å; M110-I470 HydrophobicContact SD-CG2 4.01Å; V466-I470 HydrophobicContact CG1-CD1 4.12Å; V466-I470 WeakPolarHBondContact O-CG1 3.35Å; V466-I470 PolarHBondContact O-N 3.26Å; V466-I470 VanDerWaalsContact O-N 3.15Å; F467-I470 PolarHBondContact O-N 3.48Å; I470-W473 PolarHBondContact O-N 3.35Å; I470-L474 HydrophobicContact CG2-CD1 3.98Å; I470-L474 HydrophobicContact CG2-CG 4.31Å; I470-L474 VanDerWaalsContact O-CG 3.28Å; I470-L474 WeakPolarHBondContact O-CG 3.35Å; I470-L474 PolarHBondContact O-N 2.93Å
471	M	92.1	Very high	91.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.2	-52.7	176.7	177.1	-161.8	75.1	0	0	111.8	M110 F111 L114 A156 F467 S468 Y469 W473 L474 V475 L494 T498	M110-M471 HydrophobicContact CB-CB 4.13Å; F111-M471 HydrophobicContact CD1-CG 4.16Å; F111-M471 HydrophobicContact CD1-SD 3.48Å; F111-M471 WeakPolarHBondContact CD1-SD 3.24Å; F111-M471 HydrophobicContact CE1-CE 4.35Å; F111-M471 HydrophobicContact CE1-CG 3.77Å; F111-M471 HydrophobicContact CE1-SD 3.1Å; F111-M471 WeakPolarHBondContact CE1-SD 3.49Å; F111-M471 HydrophobicContact CE2-CG 4.3Å; F111-M471 HydrophobicContact CG-SD 4.4Å; F111-M471 HydrophobicContact CZ-CG 3.83Å; F111-M471 HydrophobicContact CZ-SD 3.77Å; L114-M471 HydrophobicContact CD1-CB 4.38Å; L114-M471 HydrophobicContact CD1-CE 4.29Å; L114-M471 HydrophobicContact CD1-CG 4.43Å; L114-M471 HydrophobicContact CD1-SD 3.35Å; L114-M471 WeakPolarHBondContact CD1-SD 3.47Å; A156-M471 HydrophobicContact CB-CE 4.3Å; F467-M471 WeakPolarHBondContact O-CB 3.29Å; F467-M471 PolarHBondContact O-N 3.3Å; S468-M471 PolarHBondContact O-N 3.2Å; Y469-M471 VanDerWaalsContact C-N 3.3Å; Y469-M471 PolarHBondContact O-N 3.06Å; M471-W473 VanDerWaalsContact C-N 3.29Å; M471-W473 PolarHBondContact O-N 3.26Å; M471-L474 PolarHBondContact O-N 3.48Å; M471-V475 WeakPolarHBondContact O-CG2 3.18Å; M471-V475 PolarHBondContact O-N 2.97Å; M471-L494 HydrophobicContact CE-CD1 4.1Å; M471-L494 HydrophobicContact CE-CD2 4.27Å; M471-L494 HydrophobicContact CE-CG 3.92Å; M471-L494 HydrophobicContact CG-CD1 4.41Å; M471-T498 HydrophobicContact CE-CG2 3.9Å; M471-T498 HydrophobicContact SD-CG2 4.06Å
472	V	92	Very high	91.2	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-43.4	178.7	179.7	0	0	0	0	109.9	F85 A156 I159 V168 S468 Y469 L474 V475 T476 L494	F85-V472 HydrophobicContact CZ-CB 4.5Å; F85-V472 HydrophobicContact CZ-CG1 3.95Å; A156-V472 HydrophobicContact CB-CG2 4.21Å; I159-V472 HydrophobicContact CB-CG2 4.47Å; I159-V472 HydrophobicContact CD1-CG2 4.27Å; I159-V472 HydrophobicContact CG2-CB 4.05Å; I159-V472 HydrophobicContact CG2-CG1 3.97Å; I159-V472 HydrophobicContact CG2-CG2 4.16Å; V168-V472 HydrophobicContact CG1-CG1 4.42Å; S468-V472 WeakPolarHBondContact O-CG2 3.16Å; S468-V472 PolarHBondContact O-N 3.45Å; Y469-V472 PolarHBondContact O-N 3.38Å; V472-L474 PolarHBondContact O-N 3.35Å; V472-V475 PolarHBondContact O-N 3.21Å; V472-T476 HydrophobicContact CG1-CG2 4.29Å; V472-T476 WeakPolarHBondContact O-CG2 3.13Å; V472-T476 PolarHBondContact O-N 3.01Å; V472-T476 PolarHBondContact O-OG1 3.2Å; V472-L494 HydrophobicContact CB-CD2 4.5Å; V472-L494 HydrophobicContact CG1-CD2 4.44Å; V472-L494 HydrophobicContact CG2-CD2 3.8Å
473	W	91.9	Very high	90.8	Very high	51 Å²	51	25.2 Å²	25.2	19%	0.193	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-46.7	177.7	179.5	33.9	0	0	0	113.1	F85 P86 D88 Y469 I470 M471 V475 T476 I477	F85-W473 HydrophobicContact CB-CG 4.12Å; F85-W473 HydrophobicContact CD1-CB 3.72Å; F85-W473 AromaticContact CD1-CD1 3.63Å; F85-W473 AromaticContact CD1-CG 3.76Å; F85-W473 HydrophobicContact CD1-CG 3.76Å; F85-W473 AromaticContact CD2-CD1 3.89Å; F85-W473 HydrophobicContact CE1-CB 3.78Å; F85-W473 HydrophobicContact CE1-CG 4.33Å; F85-W473 HydrophobicContact CG-CB 4.21Å; F85-W473 AromaticContact CG-CD1 3.31Å; F85-W473 AromaticContact CG-CG 3.94Å; F85-W473 HydrophobicContact CG-CG 3.94Å; F85-W473 HydrophobicContact CZ-CB 4.3Å; P86-W473 HydrophobicContact CG-CH2 4.24Å; P86-W473 HydrophobicContact CG-CZ2 3.9Å; P86-W473 WeakPolarHBondContact O-CZ2 3.5Å; P86-W473 PolarHBondContact O-NE1 3.07Å; D88-W473 HydrophobicContact CB-CZ2 4.26Å; Y469-W473 WeakPolarHBondContact O-CB 3.4Å; Y469-W473 PolarHBondContact O-N 3.09Å; I470-W473 PolarHBondContact O-N 3.35Å; M471-W473 VanDerWaalsContact C-N 3.29Å; M471-W473 PolarHBondContact O-N 3.26Å; W473-V475 VanDerWaalsContact C-N 3.32Å; W473-V475 PolarHBondContact O-N 3.46Å; W473-T476 PolarHBondContact O-N 2.92Å; W473-T476 PolarHBondContact O-OG1 3.44Å; W473-I477 HydrophobicContact CD2-CD1 4.32Å; W473-I477 HydrophobicContact CG-CD1 4.32Å; W473-I477 HydrophobicContact CZ2-CD1 4.33Å; W473-I477 VanDerWaalsContact O-CG1 3.31Å; W473-I477 WeakPolarHBondContact O-CG1 3.47Å; W473-I477 PolarHBondContact O-N 3.19Å; W473-I477 VanDerWaalsContact O-N 3.09Å
474	L	92.1	Very high	90.6	Very high	23 Å²	23	24.4 Å²	24.4	12%	0.12	13%	0.132	C	C	.	.	H	α-helix	trans	-65.1	-38.4	178.2	-69.8	174.4	0	0	0	111.6	A107 M110 I470 M471 V472 I477 I478	A107-L474 HydrophobicContact CB-CB 4.16Å; M110-L474 HydrophobicContact CG-CD1 4.05Å; I470-L474 HydrophobicContact CG2-CD1 3.98Å; I470-L474 HydrophobicContact CG2-CG 4.31Å; I470-L474 VanDerWaalsContact O-CG 3.28Å; I470-L474 WeakPolarHBondContact O-CG 3.35Å; I470-L474 PolarHBondContact O-N 2.93Å; M471-L474 PolarHBondContact O-N 3.48Å; V472-L474 PolarHBondContact O-N 3.35Å; L474-I477 PolarHBondContact O-N 3.19Å; L474-I478 WeakPolarHBondContact O-CD1 3.28Å; L474-I478 VanDerWaalsContact O-CG1 3.23Å; L474-I478 WeakPolarHBondContact O-CG1 3.36Å; L474-I478 PolarHBondContact O-N 3.41Å
475	V	92	Very high	90.4	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.036	14%	0.142	C	C	.	.	H	α-helix	trans	-71.5	-36.5	-179.6	173.3	0	0	0	0	112.2	A107 F111 M471 V472 W473 I478 G479 M489 F493 L494	A107-V475 HydrophobicContact CB-CG2 4.1Å; F111-V475 HydrophobicContact CE2-CG2 4.4Å; F111-V475 HydrophobicContact CZ-CG2 4.47Å; M471-V475 WeakPolarHBondContact O-CG2 3.18Å; M471-V475 PolarHBondContact O-N 2.97Å; V472-V475 PolarHBondContact O-N 3.21Å; W473-V475 VanDerWaalsContact C-N 3.32Å; W473-V475 PolarHBondContact O-N 3.46Å; V475-I478 PolarHBondContact O-N 3.22Å; V475-G479 PolarHBondContact O-N 2.64Å; V475-M489 HydrophobicContact CG1-CB 3.96Å; V475-M489 HydrophobicContact CG1-CE 3.67Å; V475-F493 HydrophobicContact CG1-CB 4.44Å; V475-L494 HydrophobicContact CB-CD1 3.5Å; V475-L494 VanDerWaalsContact CB-CD1 3.5Å; V475-L494 HydrophobicContact CG1-CD1 3.53Å; V475-L494 HydrophobicContact CG2-CD1 3.59Å
476	T	89.9	Confident	90.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-67.8	-35.7	172.8	55.5	0	0	0	0	111.8	A81 F85 V472 W473 G479 Y480	A81-T476 HydrophobicContact CB-CG2 4.36Å; F85-T476 HydrophobicContact CE2-CG2 4.04Å; F85-T476 WeakPolarHBondContact CE2-OG1 3.46Å; V472-T476 HydrophobicContact CG1-CG2 4.29Å; V472-T476 WeakPolarHBondContact O-CG2 3.13Å; V472-T476 PolarHBondContact O-N 3.01Å; V472-T476 PolarHBondContact O-OG1 3.2Å; W473-T476 PolarHBondContact O-N 2.92Å; W473-T476 PolarHBondContact O-OG1 3.44Å; T476-G479 PolarHBondContact O-N 3.12Å; T476-Y480 WeakPolarHBondContact O-CB 3.49Å; T476-Y480 PolarHBondContact O-N 3.5Å
477	I	90.4	Very high	89.9	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-60.2	-47.4	171	-68.4	164.1	0	0	0	110.7	I82 D88 W473 L474 Y480 T481	I82-I477 HydrophobicContact CD1-CB 4.5Å; I82-I477 HydrophobicContact CD1-CG1 3.99Å; I82-I477 HydrophobicContact CG1-CG1 4.24Å; D88-I477 HydrophobicContact CB-CD1 3.91Å; W473-I477 HydrophobicContact CD2-CD1 4.32Å; W473-I477 HydrophobicContact CG-CD1 4.32Å; W473-I477 HydrophobicContact CZ2-CD1 4.33Å; W473-I477 VanDerWaalsContact O-CG1 3.31Å; W473-I477 WeakPolarHBondContact O-CG1 3.47Å; W473-I477 PolarHBondContact O-N 3.19Å; W473-I477 VanDerWaalsContact O-N 3.09Å; L474-I477 PolarHBondContact O-N 3.19Å; I477-Y480 PolarHBondContact O-N 2.9Å; I477-T481 HydrophobicContact CG2-CG2 4.35Å; I477-T481 WeakPolarHBondContact O-CG2 3.46Å; I477-T481 PolarHBondContact O-N 2.83Å; I477-T481 PolarHBondContact O-OG1 3.42Å
478	I	90.6	Very high	89.8	Confident	13 Å²	13	22.3 Å²	22.3	7%	0.067	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-48	178.3	-66	159.5	0	0	0	110	H103 I104 A107 L474 V475 Y480 T481 L482 M489	H103-I478 HydrophobicContact CB-CD1 4.23Å; H103-I478 HydrophobicContact CB-CG1 3.83Å; I104-I478 HydrophobicContact CB-CD1 4.41Å; I104-I478 HydrophobicContact CG1-CD1 3.81Å; I104-I478 HydrophobicContact CG1-CG1 4.08Å; I104-I478 HydrophobicContact CG1-CG2 4.32Å; A107-I478 HydrophobicContact CB-CD1 4.05Å; L474-I478 WeakPolarHBondContact O-CD1 3.28Å; L474-I478 VanDerWaalsContact O-CG1 3.23Å; L474-I478 WeakPolarHBondContact O-CG1 3.36Å; L474-I478 PolarHBondContact O-N 3.41Å; V475-I478 PolarHBondContact O-N 3.22Å; I478-Y480 PolarHBondContact O-N 3.37Å; I478-T481 PolarHBondContact O-N 3.46Å; I478-T481 PolarHBondContact O-OG1 2.99Å; I478-L482 HydrophobicContact CG2-CD1 3.74Å; I478-L482 HydrophobicContact CG2-CG 4.35Å; I478-L482 WeakPolarHBondContact O-CG 3.32Å; I478-L482 PolarHBondContact O-N 3.41Å; I478-M489 HydrophobicContact CB-CE 4.39Å; I478-M489 HydrophobicContact CG2-CE 4.06Å
479	G	89.7	Confident	89.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-54.7	-52.9	177.7	0	0	0	0	0	112.6	V475 T476 T481 L482 G483 I484	V475-G479 PolarHBondContact O-N 2.64Å; T476-G479 PolarHBondContact O-N 3.12Å; G479-T481 VanDerWaalsContact C-N 3.33Å; G479-T481 PolarHBondContact O-N 2.94Å; G479-L482 PolarHBondContact O-N 3.45Å; G479-G483 PolarHBondContact O-N 3.3Å; G479-I484 CarbonylContact C-O 3.3Å; G479-I484 PolarHBondContact O-N 3.18Å
480	Y	88.4	Confident	89.7	Confident	13 Å²	13	19.2 Å²	19.2	5%	0.051	11%	0.106	C	C	.	.	H	α-helix	trans	-57.3	-44.5	178.4	-177.5	-105.3	0	0	0	112.4	P80 I82 N92 T476 I477 I478 L482 G483 M617 E620	P80-Y480 HydrophobicContact CB-CD2 3.7Å; P80-Y480 HydrophobicContact CB-CE2 3.92Å; P80-Y480 HydrophobicContact CG-CD2 4.04Å; P80-Y480 HydrophobicContact CG-CE2 3.73Å; I82-Y480 HydrophobicContact CB-CG 4.45Å; I82-Y480 HydrophobicContact CD1-CD1 3.71Å; I82-Y480 HydrophobicContact CD1-CE1 4.46Å; I82-Y480 HydrophobicContact CD1-CG 4.01Å; I82-Y480 HydrophobicContact CG2-CD1 4.3Å; I82-Y480 HydrophobicContact CG2-CD2 3.99Å; I82-Y480 HydrophobicContact CG2-CE2 4.3Å; I82-Y480 HydrophobicContact CG2-CG 4Å; N92-Y480 VanDerWaalsContact ND2-CE1 3.31Å; N92-Y480 WeakPolarHBondContact ND2-CE1 3.45Å; T476-Y480 WeakPolarHBondContact O-CB 3.49Å; T476-Y480 PolarHBondContact O-N 3.5Å; I477-Y480 PolarHBondContact O-N 2.9Å; I478-Y480 PolarHBondContact O-N 3.37Å; Y480-L482 PolarHBondContact O-N 3.49Å; Y480-G483 PolarHBondContact O-N 3.33Å; Y480-M617 HydrophobicContact CD2-SD 3.81Å; Y480-M617 HydrophobicContact CE2-SD 4.4Å; Y480-E620 WeakPolarHBondContact OH-CG 3.5Å
481	T	88.1	Confident	89.6	Confident	13 Å²	13	17 Å²	17	8%	0.08	9%	0.094	C	C	.	.	H	α-helix	trans	-68.2	-32.9	-179.5	58.6	0	0	0	0	113.7	R95 V100 I477 I478 G479 G483	R95-T481 HydrophobicContact CB-CG2 3.6Å; R95-T481 VanDerWaalsContact CD-CG2 3.41Å; R95-T481 HydrophobicContact CG-CG2 4.15Å; V100-T481 HydrophobicContact CG2-CG2 3.83Å; V100-T481 WeakPolarHBondContact CG2-OG1 3.25Å; I477-T481 HydrophobicContact CG2-CG2 4.35Å; I477-T481 WeakPolarHBondContact O-CG2 3.46Å; I477-T481 PolarHBondContact O-N 2.83Å; I477-T481 PolarHBondContact O-OG1 3.42Å; I478-T481 PolarHBondContact O-N 3.46Å; I478-T481 PolarHBondContact O-OG1 2.99Å; G479-T481 VanDerWaalsContact C-N 3.33Å; G479-T481 PolarHBondContact O-N 2.94Å; T481-G483 VanDerWaalsContact C-N 3.31Å
482	L	86.9	Confident	89.6	Confident	96 Å²	96	17.9 Å²	17.9	50%	0.503	10%	0.1	S	C	.	.	H	α-helix	trans	-84.3	-8.2	176.5	-63.5	178.4	0	0	0	112.5	I478 G479 Y480 I484	I478-L482 HydrophobicContact CG2-CD1 3.74Å; I478-L482 HydrophobicContact CG2-CG 4.35Å; I478-L482 WeakPolarHBondContact O-CG 3.32Å; I478-L482 PolarHBondContact O-N 3.41Å; G479-L482 PolarHBondContact O-N 3.45Å; Y480-L482 PolarHBondContact O-N 3.49Å; L482-I484 VanDerWaalsContact C-N 3.27Å; L482-I484 HydrophobicContact CB-CD1 3.84Å; L482-I484 HydrophobicContact CB-CG1 3.87Å; L482-I484 HydrophobicContact CD1-CD1 3.97Å
483	G	84.9	Confident	89.6	Confident	28 Å²	28	23.8 Å²	23.8	29%	0.289	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	26.9	-173.7	0	0	0	0	0	113.1	G479 Y480 T481	G479-G483 PolarHBondContact O-N 3.3Å; Y480-G483 PolarHBondContact O-N 3.33Å; T481-G483 VanDerWaalsContact C-N 3.31Å
484	I	88	Confident	89.6	Confident	37 Å²	37	21.4 Å²	21.4	19%	0.19	12%	0.117	C	C	.	.			trans	-94.7	127.1	177.8	-60.4	174.8	0	0	0	107.9	G479 L482 I488 M489 F607	G479-I484 CarbonylContact C-O 3.3Å; G479-I484 PolarHBondContact O-N 3.18Å; L482-I484 VanDerWaalsContact C-N 3.27Å; L482-I484 HydrophobicContact CB-CD1 3.84Å; L482-I484 HydrophobicContact CB-CG1 3.87Å; L482-I484 HydrophobicContact CD1-CD1 3.97Å; I484-I488 HydrophobicContact CG2-CB 3.67Å; I484-I488 HydrophobicContact CG2-CD1 4.39Å; I484-I488 HydrophobicContact CG2-CG2 3.67Å; I484-M489 HydrophobicContact CB-CG 4.37Å; I484-M489 HydrophobicContact CB-SD 3.99Å; I484-M489 HydrophobicContact CD1-SD 4.18Å; I484-M489 HydrophobicContact CG2-CG 3.97Å; I484-M489 HydrophobicContact CG2-SD 3.7Å; I484-F607 HydrophobicContact CG1-CZ 4.49Å
485	P	86.6	Confident	89.7	Confident	31 Å²	31	20.4 Å²	20.4	20%	0.201	11%	0.111	C	C	.	.			trans	-51.9	141.7	175.3	-27.1	32.7	0	0	0	113.3	V487 I488 M489 F607	P485-V487 PolarHBondContact O-N 2.99Å; P485-V487 VanDerWaalsContact O-N 3.15Å; P485-I488 HydrophobicContact CB-CD1 4.46Å; P485-I488 HydrophobicContact CB-CG1 4.26Å; P485-I488 HydrophobicContact CG-CD1 4.08Å; P485-I488 HydrophobicContact CG-CG1 4.43Å; P485-I488 WeakPolarHBondContact O-CB 3.36Å; P485-I488 PolarHBondContact O-N 2.97Å; P485-M489 PolarHBondContact O-N 3.02Å; P485-F607 HydrophobicContact CG-CE1 4.5Å
486	D	87	Confident	89.6	Confident	18 Å²	18	21.3 Å²	21.3	10%	0.096	12%	0.119	C	C	.	.	H	α-helix	trans	-61.9	-28.3	-176.1	-56.3	-46	0	0	0	112.3	A81 V168 M489 G490	A81-D486 VanDerWaalsContact CB-OD2 3.26Å; A81-D486 WeakPolarHBondContact CB-OD2 3.24Å; A81-D486 PolarHBondContact N-OD2 2.67Å; V168-D486 HydrophobicContact CG2-CB 3.37Å; D486-M489 PolarHBondContact O-N 3.49Å; D486-G490 PolarHBondContact O-N 3.01Å
487	V	88.2	Confident	89.6	Confident	8 Å²	8	21.9 Å²	21.9	5%	0.048	13%	0.126	C	C	.	.	H	α-helix	trans	-62.7	-43.9	173	-173.7	0	0	0	0	111.5	D167 P485 M489 G490 I491 L558	D167-V487 HydrophobicContact CB-CG2 3.68Å; P485-V487 PolarHBondContact O-N 2.99Å; P485-V487 VanDerWaalsContact O-N 3.15Å; V487-M489 VanDerWaalsContact C-N 3.32Å; V487-M489 PolarHBondContact O-N 3.44Å; V487-G490 PolarHBondContact O-N 3.49Å; V487-I491 HydrophobicContact CG1-CG2 4.36Å; V487-I491 WeakPolarHBondContact O-CG2 3.38Å; V487-I491 PolarHBondContact O-N 2.91Å; V487-L558 HydrophobicContact CG1-CD1 4.49Å
488	I	89.9	Confident	89.6	Confident	6 Å²	6	22 Å²	22	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-41.7	177.4	-61.6	-176.7	0	0	0	110.1	I484 P485 G490 I491 T492 I603 E606 F607	I484-I488 HydrophobicContact CG2-CB 3.67Å; I484-I488 HydrophobicContact CG2-CD1 4.39Å; I484-I488 HydrophobicContact CG2-CG2 3.67Å; P485-I488 HydrophobicContact CB-CD1 4.46Å; P485-I488 HydrophobicContact CB-CG1 4.26Å; P485-I488 HydrophobicContact CG-CD1 4.08Å; P485-I488 HydrophobicContact CG-CG1 4.43Å; P485-I488 WeakPolarHBondContact O-CB 3.36Å; P485-I488 PolarHBondContact O-N 2.97Å; I488-G490 VanDerWaalsContact C-N 3.29Å; I488-G490 PolarHBondContact O-N 2.83Å; I488-I491 WeakPolarHBondContact O-CG1 3.49Å; I488-I491 PolarHBondContact O-N 3.28Å; I488-T492 HydrophobicContact CG2-CG2 4.41Å; I488-T492 WeakPolarHBondContact O-CB 3.35Å; I488-T492 PolarHBondContact O-N 2.89Å; I488-T492 VanDerWaalsContact O-N 3.12Å; I488-T492 PolarHBondContact O-OG1 3.28Å; I488-I603 HydrophobicContact CG2-CG1 4.13Å; I488-E606 HydrophobicContact CD1-CB 3.49Å; I488-E606 VanDerWaalsContact CD1-CB 3.49Å; I488-E606 HydrophobicContact CD1-CG 4.4Å; I488-E606 HydrophobicContact CG1-CB 3.48Å; I488-E606 VanDerWaalsContact CG1-CB 3.48Å; I488-E606 HydrophobicContact CG1-CG 3.85Å; I488-F607 HydrophobicContact CD1-CD2 3.72Å; I488-F607 HydrophobicContact CD1-CE1 4.44Å; I488-F607 HydrophobicContact CD1-CE2 3.45Å; I488-F607 VanDerWaalsContact CD1-CE2 3.45Å; I488-F607 HydrophobicContact CD1-CG 4.32Å; I488-F607 HydrophobicContact CD1-CZ 3.84Å
489	M	91.2	Very high	89.6	Confident	4 Å²	4	21.4 Å²	21.4	2%	0.02	12%	0.124	C	C	.	.	H	α-helix	trans	-63	-37.3	176.1	-63.5	-57.8	-63.2	0	0	111.8	V475 I478 I484 P485 D486 V487 F493 L494	V475-M489 HydrophobicContact CG1-CB 3.96Å; V475-M489 HydrophobicContact CG1-CE 3.67Å; I478-M489 HydrophobicContact CB-CE 4.39Å; I478-M489 HydrophobicContact CG2-CE 4.06Å; I484-M489 HydrophobicContact CB-CG 4.37Å; I484-M489 HydrophobicContact CB-SD 3.99Å; I484-M489 HydrophobicContact CD1-SD 4.18Å; I484-M489 HydrophobicContact CG2-CG 3.97Å; I484-M489 HydrophobicContact CG2-SD 3.7Å; P485-M489 PolarHBondContact O-N 3.02Å; D486-M489 PolarHBondContact O-N 3.49Å; V487-M489 VanDerWaalsContact C-N 3.32Å; V487-M489 PolarHBondContact O-N 3.44Å; M489-F493 HydrophobicContact CE-CB 4.15Å; M489-F493 HydrophobicContact CE-CD2 3.79Å; M489-F493 HydrophobicContact CE-CE2 4.45Å; M489-F493 HydrophobicContact CE-CG 4.06Å; M489-F493 PolarHBondContact O-N 2.67Å; M489-F493 VanDerWaalsContact O-N 3.12Å; M489-F493 HydrophobicContact SD-CD2 4.12Å; M489-L494 PolarHBondContact O-N 2.95Å
490	G	91.4	Very high	89.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-62.7	-57.7	172.8	0	0	0	0	0	113	T172 D486 V487 I488 T492 A495	T172-G490 WeakPolarHBondContact CA-O 3.35Å; D486-G490 PolarHBondContact O-N 3.01Å; V487-G490 PolarHBondContact O-N 3.49Å; I488-G490 VanDerWaalsContact C-N 3.29Å; I488-G490 PolarHBondContact O-N 2.83Å; G490-T492 PolarHBondContact O-N 3.47Å; G490-A495 WeakPolarHBondContact O-CB 3.33Å; G490-A495 PolarHBondContact O-N 3.4Å
491	I	91.1	Very high	89.1	Confident	5 Å²	5	25 Å²	25	3%	0.026	15%	0.147	C	C	.	.	I	π-helix	trans	-66	-20.5	-175.5	67.9	-178	0	0	0	113.7	G171 G175 V487 I488 A495	G171-I491 VanDerWaalsContact O-CA 3.3Å; G171-I491 WeakPolarHBondContact O-CA 3.45Å; G171-I491 VanDerWaalsContact O-CG2 3.29Å; G171-I491 WeakPolarHBondContact O-CG2 3.45Å; G175-I491 WeakPolarHBondContact CA-O 3.19Å; V487-I491 HydrophobicContact CG1-CG2 4.36Å; V487-I491 WeakPolarHBondContact O-CG2 3.38Å; V487-I491 PolarHBondContact O-N 2.91Å; I488-I491 WeakPolarHBondContact O-CG1 3.49Å; I488-I491 PolarHBondContact O-N 3.28Å; I491-A495 WeakPolarHBondContact O-CB 3.34Å
492	T	91.8	Very high	88.9	Confident	20 Å²	20	24.7 Å²	24.7	12%	0.123	15%	0.145	C	C	.	.	I	π-helix	trans	-111.1	-76.3	-175.8	62	0	0	0	0	112.5	I488 G490 A496 L599 I603	I488-T492 HydrophobicContact CG2-CG2 4.41Å; I488-T492 WeakPolarHBondContact O-CB 3.35Å; I488-T492 PolarHBondContact O-N 2.89Å; I488-T492 VanDerWaalsContact O-N 3.12Å; I488-T492 PolarHBondContact O-OG1 3.28Å; G490-T492 PolarHBondContact O-N 3.47Å; T492-A496 WeakPolarHBondContact O-CB 3.45Å; T492-A496 PolarHBondContact O-N 3.37Å; T492-L599 HydrophobicContact CG2-CD2 3.81Å; T492-I603 HydrophobicContact CG2-CD1 4.33Å; T492-I603 HydrophobicContact CG2-CG1 4.48Å
493	F	91.6	Very high	89	Confident	125 Å²	125	20.7 Å²	20.7	55%	0.548	13%	0.125	S	C	.	.	I	π-helix	trans	-69.3	-45.5	-171.4	-87	-84.6	0	0	0	112.5	V475 M489 G497	V475-F493 HydrophobicContact CG1-CB 4.44Å; M489-F493 HydrophobicContact CE-CB 4.15Å; M489-F493 HydrophobicContact CE-CD2 3.79Å; M489-F493 HydrophobicContact CE-CE2 4.45Å; M489-F493 HydrophobicContact CE-CG 4.06Å; M489-F493 PolarHBondContact O-N 2.67Å; M489-F493 VanDerWaalsContact O-N 3.12Å; M489-F493 HydrophobicContact SD-CD2 4.12Å; F493-G497 PolarHBondContact O-N 3.02Å
494	L	92.3	Very high	89	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.133	C	C	.	.	I	π-helix	trans	-67.7	-51.9	-179.7	-131.6	73.6	0	0	0	110.6	F111 A156 V168 T172 M471 V472 V475 M489 G497 T498	F111-L494 HydrophobicContact CZ-CD1 4.34Å; A156-L494 HydrophobicContact CB-CD2 4.23Å; V168-L494 HydrophobicContact CG1-CD2 4.25Å; T172-L494 HydrophobicContact CG2-CB 4.02Å; T172-L494 HydrophobicContact CG2-CD2 4.09Å; T172-L494 HydrophobicContact CG2-CG 4.3Å; T172-L494 WeakPolarHBondContact OG1-CD2 3.36Å; M471-L494 HydrophobicContact CE-CD1 4.1Å; M471-L494 HydrophobicContact CE-CD2 4.27Å; M471-L494 HydrophobicContact CE-CG 3.92Å; M471-L494 HydrophobicContact CG-CD1 4.41Å; V472-L494 HydrophobicContact CB-CD2 4.5Å; V472-L494 HydrophobicContact CG1-CD2 4.44Å; V472-L494 HydrophobicContact CG2-CD2 3.8Å; V475-L494 HydrophobicContact CB-CD1 3.5Å; V475-L494 VanDerWaalsContact CB-CD1 3.5Å; V475-L494 HydrophobicContact CG1-CD1 3.53Å; V475-L494 HydrophobicContact CG2-CD1 3.59Å; M489-L494 PolarHBondContact O-N 2.95Å; L494-G497 PolarHBondContact O-N 3.2Å; L494-T498 PolarHBondContact O-N 2.91Å; L494-T498 PolarHBondContact O-OG1 3.28Å
495	A	92.6	Very high	88.8	Confident	1 Å²	1	24 Å²	24	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-53.7	-53.2	174.7	0	0	0	0	0	113.3	S176 G490 I491 G497 T498 S499	S176-A495 VanDerWaalsContact N-CB 3.26Å; G490-A495 WeakPolarHBondContact O-CB 3.33Å; G490-A495 PolarHBondContact O-N 3.4Å; I491-A495 WeakPolarHBondContact O-CB 3.34Å; A495-G497 VanDerWaalsContact C-N 3.29Å; A495-G497 PolarHBondContact O-N 3.29Å; A495-T498 PolarHBondContact O-OG1 2.99Å; A495-S499 WeakPolarHBondContact O-CB 3.49Å; A495-S499 PolarHBondContact O-N 3.47Å; A495-S499 PolarHBondContact O-OG 3.36Å
496	A	91.1	Very high	88.9	Confident	25 Å²	25	22.7 Å²	22.7	21%	0.207	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-37.6	-179	0	0	0	0	0	111.8	F179 T492 V500	F179-A496 HydrophobicContact CD2-CB 3.85Å; F179-A496 HydrophobicContact CE2-CB 3.65Å; F179-A496 HydrophobicContact CZ-CB 4.48Å; T492-A496 WeakPolarHBondContact O-CB 3.45Å; T492-A496 PolarHBondContact O-N 3.37Å; A496-V500 WeakPolarHBondContact O-CG2 3.47Å; A496-V500 PolarHBondContact O-N 3.41Å
497	G	89.4	Confident	89	Confident	15 Å²	15	22.4 Å²	22.4	16%	0.155	13%	0.13	C	C	.	.	H	α-helix	trans	-72.5	-37.5	-177.5	0	0	0	0	0	113.8	F111 F493 L494 A495	F111-G497 VanDerWaalsContact CD1-CA 3.46Å; F111-G497 WeakPolarHBondContact CD1-O 3.46Å; F111-G497 VanDerWaalsContact CE1-C 3.41Å; F493-G497 PolarHBondContact O-N 3.02Å; L494-G497 PolarHBondContact O-N 3.2Å; A495-G497 VanDerWaalsContact C-N 3.29Å; A495-G497 PolarHBondContact O-N 3.29Å
498	T	90.1	Very high	88.9	Confident	4 Å²	4	25.5 Å²	25.5	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-72.8	-31.4	176	58.5	0	0	0	0	112.5	F111 P152 E153 M471 L494 A495 P501	F111-T498 HydrophobicContact CE1-CG2 4.27Å; P152-T498 HydrophobicContact CB-CG2 4.02Å; E153-T498 WeakPolarHBondContact CG-OG1 3.23Å; E153-T498 VanDerWaalsContact OE1-C 3.25Å; E153-T498 WeakPolarHBondContact OE1-CB 3.39Å; E153-T498 PolarHBondContact OE1-OG1 3.48Å; M471-T498 HydrophobicContact CE-CG2 3.9Å; M471-T498 HydrophobicContact SD-CG2 4.06Å; L494-T498 PolarHBondContact O-N 2.91Å; L494-T498 PolarHBondContact O-OG1 3.28Å; A495-T498 PolarHBondContact O-OG1 2.99Å; T498-P501 VanDerWaalsContact O-CD 3.26Å; T498-P501 WeakPolarHBondContact O-CD 3.39Å
499	S	90.4	Very high	88.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-93.6	2.4	-176.5	-46.3	0	0	0	0	115.1	E153 S176 F179 N180 A495 D502 C503	E153-S499 PolarHBondContact OE1-N 3.5Å; E153-S499 PolarHBondContact OE1-OG 3.03Å; E153-S499 VanDerWaalsContact OE1-OG 3.09Å; S176-S499 PolarHBondContact OG-OG 2.94Å; S176-S499 VanDerWaalsContact OG-OG 3.11Å; F179-S499 VanDerWaalsContact CD1-CB 3.48Å; N180-S499 WeakPolarHBondContact OD1-CB 3.3Å; A495-S499 WeakPolarHBondContact O-CB 3.49Å; A495-S499 PolarHBondContact O-N 3.47Å; A495-S499 PolarHBondContact O-OG 3.36Å; S499-D502 PolarHBondContact O-N 3.26Å; S499-C503 PolarHBondContact O-N 3.27Å
500	V	86.3	Confident	88.4	Confident	73 Å²	73	26.6 Å²	26.6	44%	0.442	15%	0.153	S	C	.	.	H	α-helix	trans	-62.2	-45	173.6	163	0	0	0	0	113.1	A496 D502 C503 M504	A496-V500 WeakPolarHBondContact O-CG2 3.47Å; A496-V500 PolarHBondContact O-N 3.41Å; V500-D502 VanDerWaalsContact C-N 3.32Å; V500-D502 PolarHBondContact O-N 2.91Å; V500-C503 WeakPolarHBondContact O-CB 3.2Å; V500-C503 PolarHBondContact O-N 2.92Å; V500-M504 WeakPolarHBondContact O-CG 3.49Å; V500-M504 PolarHBondContact O-N 2.88Å
501	P	81.3	Confident	88.3	Confident	15 Å²	15	33.3 Å²	33.3	10%	0.097	18%	0.178	C	C	.	.	H	α-helix	trans	-56.9	-45.7	175.2	-23.9	36.2	0	0	0	111.7	A115 T498 C503 M504 A505	A115-P501 HydrophobicContact CB-CB 4.42Å; A115-P501 HydrophobicContact CB-CG 3.62Å; T498-P501 VanDerWaalsContact O-CD 3.26Å; T498-P501 WeakPolarHBondContact O-CD 3.39Å; P501-C503 VanDerWaalsContact C-N 3.3Å; P501-C503 PolarHBondContact O-N 3.36Å; P501-M504 WeakPolarHBondContact O-CB 3.3Å; P501-M504 PolarHBondContact O-N 2.96Å; P501-A505 PolarHBondContact O-N 2.95Å
502	D	85.6	Confident	88.1	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.032	21%	0.205	C	C	.	.	H	α-helix	trans	-59.2	-40.5	177.2	-69.5	27.4	0	0	0	112.1	S149 I184 S499 V500 S506	S149-D502 WeakPolarHBondContact CB-OD1 3.42Å; S149-D502 VanDerWaalsContact CB-OD2 3.29Å; S149-D502 WeakPolarHBondContact CB-OD2 3.46Å; S149-D502 PolarHBondContact OG-OD2 3.38Å; I184-D502 HydrophobicContact CD1-CB 3.97Å; S499-D502 PolarHBondContact O-N 3.26Å; V500-D502 VanDerWaalsContact C-N 3.32Å; V500-D502 PolarHBondContact O-N 2.91Å; D502-S506 VanDerWaalsContact O-CB 3.23Å; D502-S506 WeakPolarHBondContact O-CB 3.33Å; D502-S506 PolarHBondContact O-N 3.4Å; D502-S506 PolarHBondContact O-OG 3.4Å
503	C	88.2	Confident	87.6	Confident	12 Å²	12	39.9 Å²	39.9	8%	0.081	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-44.5	174.6	-172.6	0	0	0	0	111.8	F179 I184 S499 V500 P501 L507	F179-C503 HydrophobicContact CE1-CB 4.22Å; I184-C503 HydrophobicContact CD1-CB 4.1Å; I184-C503 HydrophobicContact CG1-CB 3.76Å; S499-C503 PolarHBondContact O-N 3.27Å; V500-C503 WeakPolarHBondContact O-CB 3.2Å; V500-C503 PolarHBondContact O-N 2.92Å; P501-C503 VanDerWaalsContact C-N 3.3Å; P501-C503 PolarHBondContact O-N 3.36Å; C503-L507 VanDerWaalsContact O-CB 3.25Å; C503-L507 WeakPolarHBondContact O-CB 3.2Å; C503-L507 PolarHBondContact O-N 2.93Å
504	M	85.9	Confident	87.1	Confident	95 Å²	95	37.9 Å²	37.9	47%	0.468	21%	0.212	S	C	.	.	H	α-helix	trans	-66.9	-46.5	179.1	-68.5	-57.9	-60.3	0	0	111.6	V500 P501 S506 L507 I508	V500-M504 WeakPolarHBondContact O-CG 3.49Å; V500-M504 PolarHBondContact O-N 2.88Å; P501-M504 WeakPolarHBondContact O-CB 3.3Å; P501-M504 PolarHBondContact O-N 2.96Å; M504-S506 PolarHBondContact O-N 2.87Å; M504-L507 PolarHBondContact O-N 3.38Å; M504-I508 WeakPolarHBondContact O-CD1 3.34Å; M504-I508 VanDerWaalsContact O-CG1 3.26Å; M504-I508 WeakPolarHBondContact O-CG1 3.45Å; M504-I508 PolarHBondContact O-N 3.08Å
505	A	83.2	Confident	86.6	Confident	41 Å²	41	38 Å²	38	34%	0.339	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-47.7	176.2	0	0	0	0	0	111.5	P501 L507 I508 V509	P501-A505 PolarHBondContact O-N 2.95Å; A505-L507 VanDerWaalsContact C-N 3.34Å; A505-L507 PolarHBondContact O-N 3.25Å; A505-I508 PolarHBondContact O-N 3.35Å; A505-V509 WeakPolarHBondContact O-CG2 3.26Å; A505-V509 PolarHBondContact O-N 3.2Å; A505-V509 VanDerWaalsContact O-N 3.08Å
506	S	87.8	Confident	86	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-37.2	179.7	-58.2	0	0	0	0	112.1	D502 M504 V509 A510 A518 T522	D502-S506 VanDerWaalsContact O-CB 3.23Å; D502-S506 WeakPolarHBondContact O-CB 3.33Å; D502-S506 PolarHBondContact O-N 3.4Å; D502-S506 PolarHBondContact O-OG 3.4Å; M504-S506 PolarHBondContact O-N 2.87Å; S506-V509 PolarHBondContact O-N 3.07Å; S506-A510 VanDerWaalsContact O-CB 3.32Å; S506-A510 WeakPolarHBondContact O-CB 3.39Å; S506-A510 PolarHBondContact O-N 3.05Å; S506-A518 WeakPolarHBondContact O-CB 3.18Å; S506-T522 PolarHBondContact OG-OG1 3.27Å
507	L	89.1	Confident	85.4	Confident	13 Å²	13	44.7 Å²	44.7	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-41.2	174.5	176.3	61.8	0	0	0	112	V187 F191 C503 M504 A505 A510 R511	V187-L507 HydrophobicContact CG1-CD1 4.47Å; V187-L507 HydrophobicContact CG1-CD2 4.09Å; F191-L507 HydrophobicContact CB-CD1 3.76Å; F191-L507 HydrophobicContact CB-CD2 4.2Å; C503-L507 VanDerWaalsContact O-CB 3.25Å; C503-L507 WeakPolarHBondContact O-CB 3.2Å; C503-L507 PolarHBondContact O-N 2.93Å; M504-L507 PolarHBondContact O-N 3.38Å; A505-L507 VanDerWaalsContact C-N 3.34Å; A505-L507 PolarHBondContact O-N 3.25Å; L507-A510 PolarHBondContact O-N 3.29Å; L507-R511 HydrophobicContact CD1-CG 4.46Å; L507-R511 WeakPolarHBondContact O-CG 3.29Å; L507-R511 PolarHBondContact O-N 3.02Å
508	I	85.7	Confident	85	Confident	73 Å²	73	44.2 Å²	44.2	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-46.2	177.3	-68.8	162.1	0	0	0	110.1	M504 A505 R511 Q512	M504-I508 WeakPolarHBondContact O-CD1 3.34Å; M504-I508 VanDerWaalsContact O-CG1 3.26Å; M504-I508 WeakPolarHBondContact O-CG1 3.45Å; M504-I508 PolarHBondContact O-N 3.08Å; A505-I508 PolarHBondContact O-N 3.35Å; I508-R511 WeakPolarHBondContact O-CB 3.23Å; I508-R511 PolarHBondContact O-N 3.24Å; I508-Q512 WeakPolarHBondContact O-CG 3.35Å; I508-Q512 PolarHBondContact O-N 3.47Å
509	V	84.7	Confident	84.6	Confident	31 Å²	31	44.4 Å²	44.4	19%	0.188	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-40.2	177.7	176.3	0	0	0	0	111.4	A505 S506 R511 Q512 G513 L514 M517 A518	A505-V509 WeakPolarHBondContact O-CG2 3.26Å; A505-V509 PolarHBondContact O-N 3.2Å; A505-V509 VanDerWaalsContact O-N 3.08Å; S506-V509 PolarHBondContact O-N 3.07Å; V509-R511 VanDerWaalsContact C-N 3.32Å; V509-R511 PolarHBondContact O-N 3.42Å; V509-Q512 WeakPolarHBondContact O-CB 3.48Å; V509-Q512 PolarHBondContact O-N 2.98Å; V509-G513 PolarHBondContact O-N 2.94Å; V509-L514 HydrophobicContact CG1-CB 3.7Å; V509-L514 WeakPolarHBondContact CG1-O 3.38Å; V509-L514 PolarHBondContact O-N 3.32Å; V509-M517 HydrophobicContact CG1-CB 3.97Å; V509-M517 HydrophobicContact CG1-CG 4.08Å; V509-M517 HydrophobicContact CG1-SD 4.02Å; V509-A518 HydrophobicContact CB-CB 4.3Å; V509-A518 HydrophobicContact CG1-CB 4.15Å
510	A	87.8	Confident	84	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-36.4	174.9	0	0	0	0	0	112.4	C188 A192 Q194 S506 L507 Q512 G513 A518	C188-A510 HydrophobicContact CB-CB 4.05Å; A192-A510 HydrophobicContact CB-CB 4.18Å; Q194-A510 PolarHBondContact NE2-O 3.28Å; Q194-A510 VanDerWaalsContact NE2-O 3.1Å; S506-A510 VanDerWaalsContact O-CB 3.32Å; S506-A510 WeakPolarHBondContact O-CB 3.39Å; S506-A510 PolarHBondContact O-N 3.05Å; L507-A510 PolarHBondContact O-N 3.29Å; A510-Q512 PolarHBondContact O-N 3.42Å; A510-G513 PolarHBondContact O-N 3.47Å; A510-A518 HydrophobicContact CB-CB 4.24Å
511	R	88.4	Confident	83.6	Confident	141 Å²	141	43.5 Å²	43.5	53%	0.532	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-21.5	173.1	-77.9	-177.9	171.4	180	2.5	113.7	F191 Q194 L507 I508 V509 G513	F191-R511 PolarHBondContact O-NE 3.38Å; F191-R511 PolarHBondContact O-NH2 3.18Å; Q194-R511 VanDerWaalsContact NE2-C 3.26Å; Q194-R511 PolarHBondContact NE2-O 3.24Å; L507-R511 HydrophobicContact CD1-CG 4.46Å; L507-R511 WeakPolarHBondContact O-CG 3.29Å; L507-R511 PolarHBondContact O-N 3.02Å; I508-R511 WeakPolarHBondContact O-CB 3.23Å; I508-R511 PolarHBondContact O-N 3.24Å; V509-R511 VanDerWaalsContact C-N 3.32Å; V509-R511 PolarHBondContact O-N 3.42Å; R511-G513 VanDerWaalsContact C-N 3.3Å
512	Q	86.3	Confident	83.7	Confident	127 Å²	127	42.9 Å²	42.9	59%	0.593	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-5.6	173.9	-63.6	170.2	2.9	0	0	112.8	I508 V509 A510 L514	I508-Q512 WeakPolarHBondContact O-CG 3.35Å; I508-Q512 PolarHBondContact O-N 3.47Å; V509-Q512 WeakPolarHBondContact O-CB 3.48Å; V509-Q512 PolarHBondContact O-N 2.98Å; A510-Q512 PolarHBondContact O-N 3.42Å; Q512-L514 VanDerWaalsContact C-N 3.33Å; Q512-L514 HydrophobicContact CB-CD1 4.45Å; Q512-L514 HydrophobicContact CB-CG 4.45Å
513	G	81.6	Confident	83.6	Confident	37 Å²	37	42.8 Å²	42.8	38%	0.381	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	2.3	179.6	0	0	0	0	0	113.2	V509 A510 R511 G515	V509-G513 PolarHBondContact O-N 2.94Å; A510-G513 PolarHBondContact O-N 3.47Å; R511-G513 VanDerWaalsContact C-N 3.3Å; G513-G515 PolarHBondContact O-N 3.45Å; G513-G515 VanDerWaalsContact O-N 3.09Å
514	L	81.6	Confident	83.4	Confident	83 Å²	83	42.2 Å²	42.2	44%	0.435	23%	0.225	S	C	.	.			trans	-88.1	55.6	-179.1	-61.4	174.8	0	0	0	111	V509 Q512 D516 M517 A518	V509-L514 HydrophobicContact CG1-CB 3.7Å; V509-L514 WeakPolarHBondContact CG1-O 3.38Å; V509-L514 PolarHBondContact O-N 3.32Å; Q512-L514 VanDerWaalsContact C-N 3.33Å; Q512-L514 HydrophobicContact CB-CD1 4.45Å; Q512-L514 HydrophobicContact CB-CG 4.45Å; L514-D516 PolarHBondContact O-N 3.26Å; L514-M517 HydrophobicContact CB-CB 4.3Å; L514-M517 WeakPolarHBondContact O-CB 2.95Å; L514-M517 PolarHBondContact O-N 3Å; L514-M517 VanDerWaalsContact O-N 3.15Å; L514-A518 PolarHBondContact O-N 3.38Å; L514-A518 VanDerWaalsContact O-N 3.14Å
515	G	81.1	Confident	83.5	Confident	3 Å²	3	37.8 Å²	37.8	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-42.4	-175.7	0	0	0	0	0	116	G513 M517 A518 V519	G513-G515 PolarHBondContact O-N 3.45Å; G513-G515 VanDerWaalsContact O-N 3.09Å; G515-M517 PolarHBondContact O-N 3.49Å; G515-A518 PolarHBondContact O-N 3.2Å; G515-V519 PolarHBondContact O-N 3.05Å
516	D	79.9	Confident	83.9	Confident	52 Å²	52	35.8 Å²	35.8	28%	0.278	19%	0.187	S	C	.	.	H	α-helix	trans	-59.3	-37.6	178.5	-76.4	-13.4	0	0	0	111.2	L198 T199 L514 S520	L198-D516 WeakPolarHBondContact CA-OD1 3.49Å; T199-D516 WeakPolarHBondContact CB-OD2 3.42Å; T199-D516 WeakPolarHBondContact CG2-OD2 3.31Å; T199-D516 PolarHBondContact N-OD1 3.48Å; T199-D516 VanDerWaalsContact OG1-CG 3.27Å; T199-D516 PolarHBondContact OG1-OD1 2.92Å; T199-D516 PolarHBondContact OG1-OD2 3.42Å; L514-D516 PolarHBondContact O-N 3.26Å; D516-S520 WeakPolarHBondContact O-CB 3.5Å; D516-S520 PolarHBondContact O-N 3.38Å
517	M	78.8	Confident	84	Confident	115 Å²	115	35.8 Å²	35.8	57%	0.567	19%	0.186	S	C	*	.	H	α-helix	trans	-70.3	-44.5	176.6	-174.3	-177.9	-73.1	0	0	111.3	V509 L514 G515 V519 S520 N521	V509-M517 HydrophobicContact CG1-CB 3.97Å; V509-M517 HydrophobicContact CG1-CG 4.08Å; V509-M517 HydrophobicContact CG1-SD 4.02Å; L514-M517 HydrophobicContact CB-CB 4.3Å; L514-M517 WeakPolarHBondContact O-CB 2.95Å; L514-M517 PolarHBondContact O-N 3Å; L514-M517 VanDerWaalsContact O-N 3.15Å; G515-M517 PolarHBondContact O-N 3.49Å; M517-V519 PolarHBondContact O-N 3.31Å; M517-S520 PolarHBondContact O-N 3.46Å; M517-N521 VanDerWaalsContact O-CB 3.31Å; M517-N521 WeakPolarHBondContact O-CB 3.43Å; M517-N521 PolarHBondContact O-N 3.33Å
518	A	82.2	Confident	84.1	Confident	5 Å²	5	35.9 Å²	35.9	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-44.9	178.1	0	0	0	0	0	112.1	S506 V509 A510 L514 G515 T522	S506-A518 WeakPolarHBondContact O-CB 3.18Å; V509-A518 HydrophobicContact CB-CB 4.3Å; V509-A518 HydrophobicContact CG1-CB 4.15Å; A510-A518 HydrophobicContact CB-CB 4.24Å; L514-A518 PolarHBondContact O-N 3.38Å; L514-A518 VanDerWaalsContact O-N 3.14Å; G515-A518 PolarHBondContact O-N 3.2Å; A518-T522 PolarHBondContact O-N 3.23Å; A518-T522 PolarHBondContact O-OG1 3.41Å
519	V	81.3	Confident	84.5	Confident	8 Å²	8	32.4 Å²	32.4	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-72.2	-40.1	178.6	173.9	0	0	0	0	111.6	L198 V203 G515 M517 T522 I523	L198-V519 HydrophobicContact CD2-CB 3.97Å; L198-V519 HydrophobicContact CD2-CG2 3.56Å; V203-V519 HydrophobicContact CG2-CG1 4.39Å; G515-V519 PolarHBondContact O-N 3.05Å; M517-V519 PolarHBondContact O-N 3.31Å; V519-T522 PolarHBondContact O-N 3.16Å; V519-I523 HydrophobicContact CG1-CD1 3.63Å; V519-I523 HydrophobicContact CG1-CG1 4.3Å; V519-I523 WeakPolarHBondContact O-CG1 3.29Å; V519-I523 PolarHBondContact O-N 3.41Å
520	S	76.4	Confident	84.9	Confident	19 Å²	19	31 Å²	31	13%	0.133	16%	0.16	C	C	.	.	H	α-helix	trans	-67.4	-37.3	178.7	-165.5	0	0	0	0	112.2	D206 D516 M517 I523 G524	D206-S520 PolarHBondContact OD2-OG 3.37Å; D516-S520 WeakPolarHBondContact O-CB 3.5Å; D516-S520 PolarHBondContact O-N 3.38Å; M517-S520 PolarHBondContact O-N 3.46Å; S520-I523 PolarHBondContact O-N 2.93Å; S520-G524 PolarHBondContact O-N 3.26Å
521	N	79.4	Confident	85.2	Confident	34 Å²	34	31 Å²	31	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-48.9	172.7	-173.7	46.4	0	0	0	111.2	M517 I523 G524 S525	M517-N521 VanDerWaalsContact O-CB 3.31Å; M517-N521 WeakPolarHBondContact O-CB 3.43Å; M517-N521 PolarHBondContact O-N 3.33Å; N521-I523 PolarHBondContact O-N 2.97Å; N521-G524 PolarHBondContact O-N 3.05Å; N521-S525 WeakPolarHBondContact O-CB 3.32Å; N521-S525 PolarHBondContact O-N 2.74Å; N521-S525 PolarHBondContact O-OG 3.08Å
522	T	82.7	Confident	85.5	Confident	2 Å²	2	25 Å²	25	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-36.2	-179.2	-55.7	0	0	0	0	113	N180 I184 S506 A518 V519 S525 N526	N180-T522 VanDerWaalsContact C-CG2 3.44Å; N180-T522 HydrophobicContact CB-CG2 3.59Å; N180-T522 WeakPolarHBondContact O-CG2 3.46Å; I184-T522 HydrophobicContact CB-CG2 4.14Å; I184-T522 HydrophobicContact CD1-CG2 4.19Å; I184-T522 HydrophobicContact CG2-CG2 4.22Å; S506-T522 PolarHBondContact OG-OG1 3.27Å; A518-T522 PolarHBondContact O-N 3.23Å; A518-T522 PolarHBondContact O-OG1 3.41Å; V519-T522 PolarHBondContact O-N 3.16Å; T522-S525 PolarHBondContact O-OG 3.18Å; T522-N526 PolarHBondContact O-ND2 2.93Å; T522-N526 VanDerWaalsContact O-ND2 3.15Å; T522-N526 PolarHBondContact O-OD1 3.03Å
523	I	84.3	Confident	85.7	Confident	4 Å²	4	19 Å²	19	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-79.4	-37.5	177.4	-60.4	168.5	0	0	0	110.8	I181 D206 Y210 V519 S520 N521 N526 V527	I181-I523 HydrophobicContact CD1-CG1 3.98Å; D206-I523 HydrophobicContact CB-CB 4.1Å; D206-I523 HydrophobicContact CB-CD1 4.02Å; D206-I523 HydrophobicContact CB-CG2 3.66Å; Y210-I523 HydrophobicContact CG-CG2 4.49Å; V519-I523 HydrophobicContact CG1-CD1 3.63Å; V519-I523 HydrophobicContact CG1-CG1 4.3Å; V519-I523 WeakPolarHBondContact O-CG1 3.29Å; V519-I523 PolarHBondContact O-N 3.41Å; S520-I523 PolarHBondContact O-N 2.93Å; N521-I523 PolarHBondContact O-N 2.97Å; I523-N526 PolarHBondContact O-N 3.49Å; I523-V527 WeakPolarHBondContact O-CG2 3.33Å; I523-V527 PolarHBondContact O-N 2.9Å
524	G	84	Confident	86.2	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-42.6	177	0	0	0	0	0	112.6	S520 N521 N526 V527 F528	S520-G524 PolarHBondContact O-N 3.26Å; N521-G524 PolarHBondContact O-N 3.05Å; G524-N526 VanDerWaalsContact C-N 3.34Å; G524-N526 PolarHBondContact O-N 3.15Å; G524-V527 PolarHBondContact O-N 3.04Å; G524-F528 PolarHBondContact O-N 2.96Å
525	S	87.9	Confident	86.8	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.007	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-41.9	174.6	60.8	0	0	0	0	111.2	S150 N521 T522 V527 F528 D529	S150-S525 VanDerWaalsContact OG-CB 3.28Å; S150-S525 WeakPolarHBondContact OG-CB 3.4Å; S150-S525 PolarHBondContact OG-O 2.84Å; N521-S525 WeakPolarHBondContact O-CB 3.32Å; N521-S525 PolarHBondContact O-N 2.74Å; N521-S525 PolarHBondContact O-OG 3.08Å; T522-S525 PolarHBondContact O-OG 3.18Å; S525-V527 PolarHBondContact O-N 3.48Å; S525-F528 CarbonylContact O-C 3.42Å; S525-F528 WeakPolarHBondContact O-CA 3.44Å; S525-F528 WeakPolarHBondContact O-CB 3.49Å; S525-F528 PolarHBondContact O-N 3.05Å; S525-F528 VanDerWaalsContact O-N 3.14Å; S525-D529 VanDerWaalsContact O-CG 3.27Å; S525-D529 PolarHBondContact O-N 3.45Å
526	N	90.3	Very high	87.4	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.6	-37.4	176	-66	-15.9	0	0	0	114	A177 N180 I181 Y210 T522 I523 G524 F528 D529 I530	A177-N526 WeakPolarHBondContact CA-OD1 3.35Å; A177-N526 HydrophobicContact CB-CB 4.43Å; A177-N526 PolarHBondContact O-ND2 3.07Å; N180-N526 WeakPolarHBondContact CB-ND2 3.32Å; N180-N526 WeakPolarHBondContact CB-OD1 3.36Å; N180-N526 PolarHBondContact ND2-OD1 2.98Å; I181-N526 WeakPolarHBondContact CG1-ND2 3.36Å; Y210-N526 HydrophobicContact CD2-CB 4.03Å; Y210-N526 HydrophobicContact CE2-CB 3.55Å; T522-N526 PolarHBondContact O-ND2 2.93Å; T522-N526 VanDerWaalsContact O-ND2 3.15Å; T522-N526 PolarHBondContact O-OD1 3.03Å; I523-N526 PolarHBondContact O-N 3.49Å; G524-N526 VanDerWaalsContact C-N 3.34Å; G524-N526 PolarHBondContact O-N 3.15Å; N526-F528 VanDerWaalsContact C-N 3.32Å; N526-D529 PolarHBondContact O-N 2.79Å; N526-I530 WeakPolarHBondContact O-CG1 3.49Å; N526-I530 PolarHBondContact O-N 3.34Å; N526-I530 VanDerWaalsContact O-N 3.11Å
527	V	91	Very high	88	Confident	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-40.1	174.4	173.9	0	0	0	0	110	Y210 Y241 I523 G524 S525 L531	Y210-V527 HydrophobicContact CD2-CG2 3.97Å; Y210-V527 HydrophobicContact CG-CG2 4.49Å; Y241-V527 HydrophobicContact CD1-CG1 3.9Å; Y241-V527 HydrophobicContact CD2-CG1 4.19Å; Y241-V527 HydrophobicContact CE1-CG1 4.05Å; Y241-V527 HydrophobicContact CE2-CG1 4.32Å; Y241-V527 HydrophobicContact CG-CG1 3.97Å; I523-V527 WeakPolarHBondContact O-CG2 3.33Å; I523-V527 PolarHBondContact O-N 2.9Å; G524-V527 PolarHBondContact O-N 3.04Å; S525-V527 PolarHBondContact O-N 3.48Å; V527-L531 HydrophobicContact CG1-CD1 3.65Å; V527-L531 HydrophobicContact CG1-CG 4.28Å; V527-L531 WeakPolarHBondContact O-CB 3.49Å; V527-L531 VanDerWaalsContact O-CG 3.29Å; V527-L531 WeakPolarHBondContact O-CG 3.39Å; V527-L531 PolarHBondContact O-N 3.39Å
528	F	91.6	Very high	88.6	Confident	16 Å²	16	8 Å²	8	7%	0.07	5%	0.048	C	C	.	.	H	α-helix	trans	-63	-47.5	173.3	175.7	-89.3	0	0	0	111.9	A147 L154 Y238 G524 S525 N526 I530 L531 V532 G533	A147-F528 HydrophobicContact CB-CD1 4.45Å; A147-F528 HydrophobicContact CB-CD2 3.59Å; A147-F528 HydrophobicContact CB-CE1 4.27Å; A147-F528 HydrophobicContact CB-CE2 3.37Å; A147-F528 HydrophobicContact CB-CG 4.13Å; A147-F528 HydrophobicContact CB-CZ 3.73Å; L154-F528 HydrophobicContact CB-CE1 4.42Å; L154-F528 HydrophobicContact CD2-CZ 4.23Å; Y238-F528 HydrophobicContact CE1-CD2 4.33Å; Y238-F528 HydrophobicContact CE2-CB 4.21Å; Y238-F528 HydrophobicContact CE2-CD2 4.08Å; Y238-F528 AromaticContact CZ-CD2 3.72Å; Y238-F528 WeakPolarHBondContact OH-CD2 3.08Å; G524-F528 PolarHBondContact O-N 2.96Å; S525-F528 CarbonylContact O-C 3.42Å; S525-F528 WeakPolarHBondContact O-CA 3.44Å; S525-F528 WeakPolarHBondContact O-CB 3.49Å; S525-F528 PolarHBondContact O-N 3.05Å; S525-F528 VanDerWaalsContact O-N 3.14Å; N526-F528 VanDerWaalsContact C-N 3.32Å; F528-I530 VanDerWaalsContact C-N 3.34Å; F528-I530 PolarHBondContact O-N 2.81Å; F528-L531 PolarHBondContact O-N 3.28Å; F528-V532 HydrophobicContact CD2-CB 3.82Å; F528-V532 HydrophobicContact CD2-CG1 4.26Å; F528-V532 HydrophobicContact CD2-CG2 3.72Å; F528-V532 HydrophobicContact CE2-CB 3.73Å; F528-V532 HydrophobicContact CE2-CG1 3.64Å; F528-V532 HydrophobicContact CE2-CG2 3.88Å; F528-V532 HydrophobicContact CG-CB 4.27Å; F528-V532 HydrophobicContact CG-CG2 4.45Å; F528-V532 HydrophobicContact CZ-CB 4.1Å; F528-V532 HydrophobicContact CZ-CG1 3.81Å; F528-V532 WeakPolarHBondContact O-CA 3.28Å; F528-V532 VanDerWaalsContact O-CB 3.3Å; F528-V532 WeakPolarHBondContact O-CB 3.32Å; F528-V532 PolarHBondContact O-N 3.38Å; F528-G533 PolarHBondContact O-N 2.97Å
529	D	92.9	Very high	89.1	Confident	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	I	π-helix	trans	-57.8	-44.2	-179.5	-73.8	-1.6	0	0	0	112	S150 I173 S176 S525 N526 G533 L534	S150-D529 WeakPolarHBondContact CB-OD1 3.41Å; S150-D529 PolarHBondContact OG-OD1 3.48Å; I173-D529 HydrophobicContact CD1-CB 4.12Å; I173-D529 HydrophobicContact CG2-CB 4.02Å; I173-D529 WeakPolarHBondContact CG2-O 3.05Å; S176-D529 PolarHBondContact OG-OD2 3.02Å; S525-D529 VanDerWaalsContact O-CG 3.27Å; S525-D529 PolarHBondContact O-N 3.45Å; N526-D529 PolarHBondContact O-N 2.79Å; D529-G533 CarbonylContact O-C 3.57Å; D529-G533 VanDerWaalsContact O-C 3.3Å; D529-G533 WeakPolarHBondContact O-CA 3.46Å; D529-G533 PolarHBondContact O-N 3.15Å; D529-G533 VanDerWaalsContact O-N 3.07Å; D529-L534 PolarHBondContact O-N 2.92Å; D529-L534 VanDerWaalsContact O-N 3.15Å
530	I	93.3	Very high	89.5	Confident	1 Å²	1	11.1 Å²	11.1	1%	0.005	6%	0.063	C	C	.	.	I	π-helix	trans	-72.7	-51.5	178.8	-66.1	179.9	0	0	0	111.1	I173 Y210 V214 L217 N526 F528 L534	I173-I530 HydrophobicContact CG2-CG1 4.27Å; Y210-I530 HydrophobicContact CD2-CD1 4.35Å; Y210-I530 HydrophobicContact CE2-CD1 3.49Å; Y210-I530 VanDerWaalsContact CE2-CD1 3.49Å; V214-I530 HydrophobicContact CG2-CD1 3.66Å; L217-I530 HydrophobicContact CB-CG2 4.25Å; L217-I530 HydrophobicContact CD2-CD1 4.48Å; L217-I530 HydrophobicContact CD2-CG2 4.06Å; N526-I530 WeakPolarHBondContact O-CG1 3.49Å; N526-I530 PolarHBondContact O-N 3.34Å; N526-I530 VanDerWaalsContact O-N 3.11Å; F528-I530 VanDerWaalsContact C-N 3.34Å; F528-I530 PolarHBondContact O-N 2.81Å; I530-L534 WeakPolarHBondContact O-CB 3.37Å; I530-L534 PolarHBondContact O-N 3.4Å
531	L	94	Very high	90.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-80.2	-41	-169.1	-59.7	-177.6	0	0	0	112.9	L234 L237 Y238 V527 F528 G535	L234-L531 WeakPolarHBondContact CB-O 3.46Å; L234-L531 HydrophobicContact CD2-CD2 3.88Å; L237-L531 HydrophobicContact CB-CD1 4.34Å; L237-L531 HydrophobicContact CB-CD2 4.26Å; L237-L531 HydrophobicContact CD2-CD1 4.44Å; L237-L531 HydrophobicContact CD2-CD2 3.7Å; L237-L531 HydrophobicContact CG-CD1 4.08Å; L237-L531 HydrophobicContact CG-CD2 4.13Å; Y238-L531 HydrophobicContact CD2-CB 4.24Å; Y238-L531 HydrophobicContact CD2-CD1 4.22Å; Y238-L531 HydrophobicContact CG-CB 4.37Å; V527-L531 HydrophobicContact CG1-CD1 3.65Å; V527-L531 HydrophobicContact CG1-CG 4.28Å; V527-L531 WeakPolarHBondContact O-CB 3.49Å; V527-L531 VanDerWaalsContact O-CG 3.29Å; V527-L531 WeakPolarHBondContact O-CG 3.39Å; V527-L531 PolarHBondContact O-N 3.39Å; F528-L531 PolarHBondContact O-N 3.28Å; L531-G535 VanDerWaalsContact O-CA 3.32Å; L531-G535 WeakPolarHBondContact O-CA 3.47Å; L531-G535 PolarHBondContact O-N 3.29Å
532	V	93.8	Very high	90.5	Very high	17 Å²	17	9.3 Å²	9.3	10%	0.103	5%	0.052	C	C	.	.	I	π-helix	trans	-95.2	-47	178.5	-175.8	0	0	0	0	110.2	Y238 F528 L534 G535 V536	Y238-V532 HydrophobicContact CD1-CG2 3.29Å; Y238-V532 HydrophobicContact CD2-CG2 3.83Å; Y238-V532 HydrophobicContact CE1-CG2 3.55Å; Y238-V532 HydrophobicContact CE2-CG2 4.08Å; Y238-V532 HydrophobicContact CG-CG2 3.45Å; Y238-V532 VanDerWaalsContact CG-CG2 3.45Å; F528-V532 HydrophobicContact CD2-CB 3.82Å; F528-V532 HydrophobicContact CD2-CG1 4.26Å; F528-V532 HydrophobicContact CD2-CG2 3.72Å; F528-V532 HydrophobicContact CE2-CB 3.73Å; F528-V532 HydrophobicContact CE2-CG1 3.64Å; F528-V532 HydrophobicContact CE2-CG2 3.88Å; F528-V532 HydrophobicContact CG-CB 4.27Å; F528-V532 HydrophobicContact CG-CG2 4.45Å; F528-V532 HydrophobicContact CZ-CB 4.1Å; F528-V532 HydrophobicContact CZ-CG1 3.81Å; F528-V532 WeakPolarHBondContact O-CA 3.28Å; F528-V532 VanDerWaalsContact O-CB 3.3Å; F528-V532 WeakPolarHBondContact O-CB 3.32Å; F528-V532 PolarHBondContact O-N 3.38Å; V532-L534 VanDerWaalsContact C-N 3.31Å; V532-L534 PolarHBondContact O-N 2.98Å; V532-G535 PolarHBondContact O-N 2.96Å; V532-V536 HydrophobicContact CG1-CB 4.45Å; V532-V536 HydrophobicContact CG1-CG2 3.63Å; V532-V536 VanDerWaalsContact O-CB 3.29Å; V532-V536 WeakPolarHBondContact O-CB 3.42Å; V532-V536 PolarHBondContact O-N 2.84Å
533	G	92.2	Very high	90.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-60.8	-33.3	-177.6	0	0	0	0	0	114	S157 F528 D529 P537	S157-G533 VanDerWaalsContact CB-O 3.31Å; S157-G533 WeakPolarHBondContact CB-O 3.25Å; S157-G533 PolarHBondContact OG-O 3.14Å; F528-G533 PolarHBondContact O-N 2.97Å; D529-G533 CarbonylContact O-C 3.57Å; D529-G533 VanDerWaalsContact O-C 3.3Å; D529-G533 WeakPolarHBondContact O-CA 3.46Å; D529-G533 PolarHBondContact O-N 3.15Å; D529-G533 VanDerWaalsContact O-N 3.07Å; G533-P537 WeakPolarHBondContact O-CD 3.26Å; G533-P537 WeakPolarHBondContact O-CG 3.36Å
534	L	92.4	Very high	90.9	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.09	C	C	.	.	I	π-helix	trans	-98.2	-40.5	170.2	-59.8	174	0	0	0	112.7	V170 I173 L217 D529 I530 V532 V536 P537 W538	V170-L534 HydrophobicContact CB-CD2 4.22Å; V170-L534 HydrophobicContact CG1-CD1 4.05Å; V170-L534 HydrophobicContact CG1-CD2 3.95Å; V170-L534 HydrophobicContact CG2-CD2 4.14Å; I173-L534 HydrophobicContact CB-CD1 4.41Å; I173-L534 HydrophobicContact CB-CD2 3.98Å; I173-L534 HydrophobicContact CB-CG 4.17Å; I173-L534 HydrophobicContact CG1-CD2 3.69Å; I173-L534 HydrophobicContact CG1-CG 4.07Å; I173-L534 HydrophobicContact CG2-CD1 3.92Å; I173-L534 HydrophobicContact CG2-CD2 4.27Å; I173-L534 HydrophobicContact CG2-CG 3.88Å; L217-L534 HydrophobicContact CD1-CD1 3.63Å; L217-L534 HydrophobicContact CD2-CD1 4.07Å; D529-L534 PolarHBondContact O-N 2.92Å; D529-L534 VanDerWaalsContact O-N 3.15Å; I530-L534 WeakPolarHBondContact O-CB 3.37Å; I530-L534 PolarHBondContact O-N 3.4Å; V532-L534 VanDerWaalsContact C-N 3.31Å; V532-L534 PolarHBondContact O-N 2.98Å; L534-V536 PolarHBondContact O-N 3.47Å; L534-P537 WeakPolarHBondContact O-CD 3.26Å; L534-W538 HydrophobicContact CB-CD2 4.14Å; L534-W538 HydrophobicContact CB-CE3 3.98Å; L534-W538 HydrophobicContact CB-CH2 4Å; L534-W538 HydrophobicContact CB-CZ2 4.13Å; L534-W538 HydrophobicContact CB-CZ3 3.91Å; L534-W538 HydrophobicContact CD1-CH2 3.92Å; L534-W538 HydrophobicContact CD1-CZ2 4.25Å; L534-W538 HydrophobicContact CD1-CZ3 4.44Å; L534-W538 HydrophobicContact CD2-CZ2 4.09Å; L534-W538 HydrophobicContact CG-CH2 4.38Å; L534-W538 HydrophobicContact CG-CZ2 4.39Å; L534-W538 WeakPolarHBondContact O-CB 3.42Å; L534-W538 PolarHBondContact O-N 2.68Å
535	G	93.6	Very high	91	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-40.9	-175.8	0	0	0	0	0	113.8	L531 V532 G539	L531-G535 VanDerWaalsContact O-CA 3.32Å; L531-G535 WeakPolarHBondContact O-CA 3.47Å; L531-G535 PolarHBondContact O-N 3.29Å; V532-G535 PolarHBondContact O-N 2.96Å; G535-G539 WeakPolarHBondContact O-CA 3.32Å; G535-G539 PolarHBondContact O-N 3.06Å
536	V	93.3	Very high	90.7	Very high	56 Å²	56	23.7 Å²	23.7	34%	0.339	13%	0.132	S	C	.	.	H	α-helix	trans	-68.9	-51.2	179.5	171.9	0	0	0	0	111.8	I235 V532 L534 W538 G539 L540	I235-V536 HydrophobicContact CD1-CG2 4.12Å; I235-V536 HydrophobicContact CG1-CG2 4.21Å; V532-V536 HydrophobicContact CG1-CB 4.45Å; V532-V536 HydrophobicContact CG1-CG2 3.63Å; V532-V536 VanDerWaalsContact O-CB 3.29Å; V532-V536 WeakPolarHBondContact O-CB 3.42Å; V532-V536 PolarHBondContact O-N 2.84Å; L534-V536 PolarHBondContact O-N 3.47Å; V536-W538 PolarHBondContact O-N 3.5Å; V536-G539 PolarHBondContact O-N 2.96Å; V536-L540 WeakPolarHBondContact O-CB 3.48Å; V536-L540 PolarHBondContact O-N 2.92Å
537	P	92.6	Very high	90.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-45.4	176.8	-27.5	37	0	0	0	113.5	V158 V161 F162 G533 L534 L540 Q541	V158-P537 HydrophobicContact CB-CG 4.48Å; V158-P537 HydrophobicContact CG2-CB 4.41Å; V158-P537 HydrophobicContact CG2-CG 3.69Å; V161-P537 HydrophobicContact CB-CB 4.05Å; V161-P537 HydrophobicContact CG1-CB 4.41Å; V161-P537 HydrophobicContact CG2-CB 3.84Å; F162-P537 HydrophobicContact CE2-CB 4.47Å; G533-P537 WeakPolarHBondContact O-CD 3.26Å; G533-P537 WeakPolarHBondContact O-CG 3.36Å; L534-P537 WeakPolarHBondContact O-CD 3.26Å; P537-L540 PolarHBondContact O-N 3.33Å; P537-Q541 WeakPolarHBondContact O-CB 3.16Å; P537-Q541 PolarHBondContact O-N 3.25Å
538	W	91.9	Very high	89.7	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-46	178.5	-66.9	-18.8	0	0	0	112	V170 L217 I221 I226 L234 L534 V536 L540 Q541 T542	V170-W538 HydrophobicContact CG1-CZ2 4.15Å; V170-W538 HydrophobicContact CG2-CZ2 3.76Å; L217-W538 HydrophobicContact CD1-CH2 3.7Å; L217-W538 HydrophobicContact CD1-CZ3 3.9Å; I221-W538 HydrophobicContact CD1-CH2 4.41Å; I221-W538 HydrophobicContact CG1-CH2 4.28Å; I226-W538 HydrophobicContact CB-CD2 4.45Å; I226-W538 HydrophobicContact CD1-CE3 4.39Å; I226-W538 HydrophobicContact CD1-CH2 4.09Å; I226-W538 HydrophobicContact CD1-CZ3 4.02Å; I226-W538 HydrophobicContact CG1-CD2 4.18Å; I226-W538 HydrophobicContact CG1-CE3 4.25Å; I226-W538 HydrophobicContact CG1-CH2 4.23Å; I226-W538 HydrophobicContact CG1-CZ2 4.18Å; I226-W538 HydrophobicContact CG1-CZ3 4.27Å; I226-W538 HydrophobicContact CG2-CB 3.99Å; I226-W538 HydrophobicContact CG2-CD2 3.84Å; I226-W538 HydrophobicContact CG2-CE3 3.74Å; I226-W538 HydrophobicContact CG2-CG 3.98Å; I226-W538 HydrophobicContact CG2-CZ3 4.41Å; L234-W538 HydrophobicContact CD1-CE3 3.77Å; L234-W538 HydrophobicContact CD1-CZ3 3.77Å; L534-W538 HydrophobicContact CB-CD2 4.14Å; L534-W538 HydrophobicContact CB-CE3 3.98Å; L534-W538 HydrophobicContact CB-CH2 4Å; L534-W538 HydrophobicContact CB-CZ2 4.13Å; L534-W538 HydrophobicContact CB-CZ3 3.91Å; L534-W538 HydrophobicContact CD1-CH2 3.92Å; L534-W538 HydrophobicContact CD1-CZ2 4.25Å; L534-W538 HydrophobicContact CD1-CZ3 4.44Å; L534-W538 HydrophobicContact CD2-CZ2 4.09Å; L534-W538 HydrophobicContact CG-CH2 4.38Å; L534-W538 HydrophobicContact CG-CZ2 4.39Å; L534-W538 WeakPolarHBondContact O-CB 3.42Å; L534-W538 PolarHBondContact O-N 2.68Å; V536-W538 PolarHBondContact O-N 3.5Å; W538-L540 PolarHBondContact O-N 3.11Å; W538-Q541 PolarHBondContact O-N 3.27Å; W538-T542 WeakPolarHBondContact O-CB 3.26Å; W538-T542 VanDerWaalsContact O-CG2 3.31Å; W538-T542 WeakPolarHBondContact O-CG2 3.23Å; W538-T542 PolarHBondContact O-N 3.06Å; W538-T542 VanDerWaalsContact O-N 3.07Å; W538-T542 PolarHBondContact O-OG1 2.8Å
539	G	91.3	Very high	89.3	Confident	3 Å²	3	36.5 Å²	36.5	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-44.7	175.3	0	0	0	0	0	111.9	G535 V536 T542 M543	G535-G539 WeakPolarHBondContact O-CA 3.32Å; G535-G539 PolarHBondContact O-N 3.06Å; V536-G539 PolarHBondContact O-N 2.96Å; G539-T542 PolarHBondContact O-N 3.36Å; G539-T542 PolarHBondContact O-OG1 2.97Å; G539-M543 WeakPolarHBondContact O-CA 3.17Å; G539-M543 WeakPolarHBondContact O-CB 3.48Å; G539-M543 VanDerWaalsContact O-CG 3.28Å; G539-M543 WeakPolarHBondContact O-CG 3.36Å; G539-M543 PolarHBondContact O-N 3.39Å
540	L	90.7	Very high	89	Confident	74 Å²	74	39.1 Å²	39.1	39%	0.387	22%	0.223	S	C	.	.	H	α-helix	trans	-65.7	-41.6	-179.4	-173.4	69.6	0	0	0	112	F162 V536 P537 W538 V544 V545	F162-L540 HydrophobicContact CE2-CB 4.36Å; F162-L540 HydrophobicContact CE2-CD2 3.87Å; F162-L540 HydrophobicContact CE2-CG 4.35Å; F162-L540 HydrophobicContact CZ-CB 3.8Å; F162-L540 HydrophobicContact CZ-CD2 3.58Å; F162-L540 HydrophobicContact CZ-CG 3.64Å; V536-L540 WeakPolarHBondContact O-CB 3.48Å; V536-L540 PolarHBondContact O-N 2.92Å; P537-L540 PolarHBondContact O-N 3.33Å; W538-L540 PolarHBondContact O-N 3.11Å; L540-V544 HydrophobicContact CD1-CB 3.79Å; L540-V544 HydrophobicContact CD1-CG1 4.21Å; L540-V544 HydrophobicContact CD1-CG2 3.7Å; L540-V544 WeakPolarHBondContact O-CA 3.28Å; L540-V544 WeakPolarHBondContact O-CB 3.35Å; L540-V544 PolarHBondContact O-N 3.48Å; L540-V545 PolarHBondContact O-N 3.27Å; L540-V545 VanDerWaalsContact O-N 3.15Å
541	Q	89.1	Confident	88.6	Confident	16 Å²	16	40.3 Å²	40.3	8%	0.075	23%	0.23	C	C	.	.	I	π-helix	trans	-64.9	-44.2	178.2	179.1	62.7	9.4	0	0	111.7	V161 F162 P537 W538 N546 V551	V161-Q541 HydrophobicContact CG1-CB 3.79Å; V161-Q541 HydrophobicContact CG1-CG 4.02Å; F162-Q541 HydrophobicContact CE1-CB 4.01Å; F162-Q541 HydrophobicContact CZ-CB 4Å; P537-Q541 WeakPolarHBondContact O-CB 3.16Å; P537-Q541 PolarHBondContact O-N 3.25Å; W538-Q541 PolarHBondContact O-N 3.27Å; Q541-N546 PolarHBondContact NE2-ND2 3.08Å; Q541-N546 VanDerWaalsContact NE2-ND2 3.14Å; Q541-N546 PolarHBondContact O-N 3.38Å; Q541-V551 HydrophobicContact CB-CG2 4.22Å; Q541-V551 HydrophobicContact CG-CG2 3.78Å
542	T	88.6	Confident	88.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-85.9	-26.8	-173.7	57.6	0	0	0	0	114.1	W228 W538 G539 N546 Y547 G548 S549 V551	W228-T542 VanDerWaalsContact CA-OG1 3.24Å; W228-T542 WeakPolarHBondContact CA-OG1 3.46Å; W228-T542 WeakPolarHBondContact CB-OG1 3.38Å; W538-T542 WeakPolarHBondContact O-CB 3.26Å; W538-T542 VanDerWaalsContact O-CG2 3.31Å; W538-T542 WeakPolarHBondContact O-CG2 3.23Å; W538-T542 PolarHBondContact O-N 3.06Å; W538-T542 VanDerWaalsContact O-N 3.07Å; W538-T542 PolarHBondContact O-OG1 2.8Å; G539-T542 PolarHBondContact O-N 3.36Å; G539-T542 PolarHBondContact O-OG1 2.97Å; T542-N546 VanDerWaalsContact O-O 3.13Å; T542-Y547 WeakPolarHBondContact O-CA 3.43Å; T542-G548 PolarHBondContact O-N 3.09Å; T542-G548 VanDerWaalsContact O-N 3.12Å; T542-S549 WeakPolarHBondContact CG2-O 3.1Å; T542-V551 HydrophobicContact CG2-CG2 3.9Å
543	M	87.9	Confident	87.6	Confident	73 Å²	73	46.4 Å²	46.4	36%	0.36	26%	0.256	S	S	.	.	I	π-helix	trans	-100.2	-28.5	-179.7	-62.4	178	58.8	0	0	114.4	W228 L232 G539 Y547	W228-M543 HydrophobicContact CB-CG 3.86Å; L232-M543 HydrophobicContact CD1-CE 4.39Å; L232-M543 HydrophobicContact CD1-SD 4.27Å; G539-M543 WeakPolarHBondContact O-CA 3.17Å; G539-M543 WeakPolarHBondContact O-CB 3.48Å; G539-M543 VanDerWaalsContact O-CG 3.28Å; G539-M543 WeakPolarHBondContact O-CG 3.36Å; G539-M543 PolarHBondContact O-N 3.39Å; M543-Y547 WeakPolarHBondContact O-CD1 3.33Å; M543-Y547 WeakPolarHBondContact O-CE1 3.32Å; M543-Y547 VanDerWaalsContact O-CZ 3.27Å
544	V	86.1	Confident	86.8	Confident	79 Å²	79	50.6 Å²	50.6	48%	0.479	28%	0.278	S	S	.	.	I	π-helix	trans	-114.6	-47.6	-172	179.9	0	0	0	0	112	L540 Y547	L540-V544 HydrophobicContact CD1-CB 3.79Å; L540-V544 HydrophobicContact CD1-CG1 4.21Å; L540-V544 HydrophobicContact CD1-CG2 3.7Å; L540-V544 WeakPolarHBondContact O-CA 3.28Å; L540-V544 WeakPolarHBondContact O-CB 3.35Å; L540-V544 PolarHBondContact O-N 3.48Å; V544-Y547 VanDerWaalsContact O-CE2 3.26Å; V544-Y547 WeakPolarHBondContact O-CE2 3.5Å
545	V	85.6	Confident	86	Confident	76 Å²	76	51.4 Å²	51.4	46%	0.461	28%	0.284	S	S	.	.	I	π-helix	trans	-80.1	-55.4	-175.3	177.8	0	0	0	0	111	F162 L540	F162-V545 HydrophobicContact CD1-CG2 4.39Å; F162-V545 HydrophobicContact CE1-CB 4.29Å; F162-V545 HydrophobicContact CE1-CG2 3.59Å; F162-V545 HydrophobicContact CZ-CG2 4.45Å; L540-V545 PolarHBondContact O-N 3.27Å; L540-V545 VanDerWaalsContact O-N 3.15Å
546	N	82.3	Confident	85.4	Confident	82 Å²	82	58.4 Å²	58.4	44%	0.439	31%	0.31	S	S	.	.	S	Bend	trans	-125.2	82	-178.1	-71.5	-46.4	0	0	0	109.6	Q541 T542 G548 S549	Q541-N546 PolarHBondContact NE2-ND2 3.08Å; Q541-N546 VanDerWaalsContact NE2-ND2 3.14Å; Q541-N546 PolarHBondContact O-N 3.38Å; T542-N546 VanDerWaalsContact O-O 3.13Å; N546-G548 PolarHBondContact O-N 3.44Å; N546-G548 VanDerWaalsContact O-N 3.14Å; N546-S549 WeakPolarHBondContact CB-OG 3.42Å; N546-S549 VanDerWaalsContact O-CB 3.28Å; N546-S549 WeakPolarHBondContact O-CB 3.31Å; N546-S549 PolarHBondContact O-N 3.2Å; N546-S549 PolarHBondContact O-OG 2.92Å
547	Y	82.1	Confident	84.8	Confident	185 Å²	185	55.8 Å²	55.8	73%	0.725	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	118.1	-179.5	-70.7	-89.5	0	0	0	112.4	T542 M543 V544 S549	T542-Y547 WeakPolarHBondContact O-CA 3.43Å; M543-Y547 WeakPolarHBondContact O-CD1 3.33Å; M543-Y547 WeakPolarHBondContact O-CE1 3.32Å; M543-Y547 VanDerWaalsContact O-CZ 3.27Å; V544-Y547 VanDerWaalsContact O-CE2 3.26Å; V544-Y547 WeakPolarHBondContact O-CE2 3.5Å; Y547-S549 VanDerWaalsContact C-N 3.28Å; Y547-S549 PolarHBondContact O-N 3.48Å
548	G	77.8	Confident	84.4	Confident	65 Å²	65	55.7 Å²	55.7	67%	0.67	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	10.7	177.7	0	0	0	0	0	115	T542 N546	T542-G548 PolarHBondContact O-N 3.09Å; T542-G548 VanDerWaalsContact O-N 3.12Å; N546-G548 PolarHBondContact O-N 3.44Å; N546-G548 VanDerWaalsContact O-N 3.14Å
549	S	84.8	Confident	84.2	Confident	36 Å²	36	57.1 Å²	57.1	25%	0.252	30%	0.302	S	S	.	.			trans	-74.7	162.3	167.8	64.6	0	0	0	0	111.5	T542 N546 Y547	T542-S549 WeakPolarHBondContact CG2-O 3.1Å; N546-S549 WeakPolarHBondContact CB-OG 3.42Å; N546-S549 VanDerWaalsContact O-CB 3.28Å; N546-S549 WeakPolarHBondContact O-CB 3.31Å; N546-S549 PolarHBondContact O-N 3.2Å; N546-S549 PolarHBondContact O-OG 2.92Å; Y547-S549 VanDerWaalsContact C-N 3.28Å; Y547-S549 PolarHBondContact O-N 3.48Å
550	T	85.1	Confident	84.1	Confident	55 Å²	55	62.6 Å²	62.6	34%	0.337	32%	0.323	S	S	.	.			trans	-112.9	140.2	172.1	59.3	0	0	0	0	109.9	I226 V227	I226-T550 WeakPolarHBondContact O-CA 3.34Å; V227-T550 HydrophobicContact CG1-CG2 3.76Å
551	V	84.9	Confident	84	Confident	26 Å²	26	59.1 Å²	59.1	16%	0.158	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.3	170.8	-179.2	0	0	0	0	107	I226 Q541 T542	I226-V551 HydrophobicContact CB-CB 4.24Å; I226-V551 PolarHBondContact N-O 2.92Å; I226-V551 PolarHBondContact O-N 3.29Å; Q541-V551 HydrophobicContact CB-CG2 4.22Å; Q541-V551 HydrophobicContact CG-CG2 3.78Å; T542-V551 HydrophobicContact CG2-CG2 3.9Å
552	K	83.6	Confident	84	Confident	134 Å²	134	58.4 Å²	58.4	58%	0.583	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.8	-179.9	-64.8	-176	178.1	-178.1	0	110.2	E224	E224-K552 WeakPolarHBondContact O-CA 3.31Å
553	I	84.3	Confident	84.2	Confident	10 Å²	10	61.8 Å²	61.8	5%	0.051	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-98.3	120.7	172.4	-60.7	-179.3	0	0	0	107.1	D167 I221 E224 I226 L558	D167-I553 WeakPolarHBondContact OD1-CA 3.42Å; I221-I553 HydrophobicContact CB-CD1 3.99Å; I221-I553 HydrophobicContact CD1-CD1 4.39Å; I221-I553 HydrophobicContact CG1-CD1 3.7Å; I221-I553 HydrophobicContact CG2-CD1 3.64Å; E224-I553 PolarHBondContact O-N 3Å; I226-I553 HydrophobicContact CD1-CD1 4.04Å; I226-I553 HydrophobicContact CG1-CD1 4.02Å; I226-I553 HydrophobicContact CG1-CG1 4.4Å; I553-L558 HydrophobicContact CG2-CD2 3.68Å
554	N	75.6	Confident	84.3	Confident	89 Å²	89	61.2 Å²	61.2	48%	0.476	32%	0.32	S	S	.	.			trans	-84.6	-23.7	-170.9	-65.9	-30.7	0	0	0	112.7	D167	D167-N554 PolarHBondContact OD1-N 3.13Å; D167-N554 VanDerWaalsContact OD2-CA 3.31Å; D167-N554 WeakPolarHBondContact OD2-CA 3.39Å; D167-N554 WeakPolarHBondContact OD2-CB 3.44Å; D167-N554 PolarHBondContact OD2-N 3.43Å
555	S	75.1	Confident	84.5	Confident	18 Å²	18	57.5 Å²	57.5	13%	0.126	30%	0.298	C	S	.	.			trans	-113.5	113.6	-173	-72.9	0	0	0	0	112.6	D167 G557 L558 N614	D167-S555 WeakPolarHBondContact OD2-CB 3.43Å; D167-S555 PolarHBondContact OD2-N 3.12Å; S555-G557 PolarHBondContact O-N 3.44Å; S555-L558 VanDerWaalsContact O-CB 3.26Å; S555-L558 WeakPolarHBondContact O-CB 3.12Å; S555-L558 PolarHBondContact O-N 3.02Å; S555-N614 VanDerWaalsContact CA-OD1 3.31Å; S555-N614 WeakPolarHBondContact CA-OD1 3.34Å; S555-N614 WeakPolarHBondContact CB-OD1 3.46Å
556	R	79.9	Confident	84.8	Confident	147 Å²	147	56.2 Å²	56.2	56%	0.555	29%	0.288	S	S	*	.	H	α-helix	trans	-62.9	-23.7	168.6	-72.6	-178.9	175.8	-172.4	-1.3	112.4	E224 L558 V559 Y560 V613 N614	E224-R556 VanDerWaalsContact OE1-CG 3.29Å; E224-R556 WeakPolarHBondContact OE1-CG 3.32Å; E224-R556 IonicContact OE1-CZ 2.66Å; E224-R556 IonicContact OE1-NE 3.2Å; E224-R556 PolarHBondContact OE1-NE 3.43Å; E224-R556 IonicContact OE1-NH2 3.02Å; E224-R556 PolarHBondContact OE1-NH2 3.48Å; R556-L558 PolarHBondContact O-N 3.31Å; R556-V559 WeakPolarHBondContact O-CB 3.39Å; R556-V559 PolarHBondContact O-N 3.46Å; R556-V559 VanDerWaalsContact O-N 3.17Å; R556-Y560 WeakPolarHBondContact O-CD2 3.44Å; R556-V613 VanDerWaalsContact C-CG1 3.44Å; R556-V613 HydrophobicContact CB-CG1 3.46Å; R556-V613 VanDerWaalsContact CB-CG1 3.46Å; R556-N614 PolarHBondContact N-OD1 2.99Å
557	G	81.8	Confident	85.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-26.3	176.7	0	0	0	0	0	113	S555 Y560 S561 E606 N614	S555-G557 PolarHBondContact O-N 3.44Å; G557-Y560 PolarHBondContact O-N 2.92Å; G557-S561 PolarHBondContact O-N 2.87Å; G557-S561 PolarHBondContact O-OG 3.45Å; G557-E606 WeakPolarHBondContact CA-OE1 3.31Å; G557-N614 PolarHBondContact N-OD1 3.04Å
558	L	84.1	Confident	85.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.9	-41.7	174.9	-171.2	69.8	0	0	0	112	V170 V174 I221 V487 I553 S555 R556 Y560 S561 V562 E606	V170-L558 HydrophobicContact CB-CD1 4.44Å; V170-L558 HydrophobicContact CB-CD2 3.85Å; V170-L558 HydrophobicContact CG1-CD1 4.27Å; V170-L558 HydrophobicContact CG1-CD2 3.64Å; V170-L558 HydrophobicContact CG1-CG 4.39Å; V174-L558 HydrophobicContact CG2-CD1 4.4Å; I221-L558 HydrophobicContact CD1-CD2 4.43Å; V487-L558 HydrophobicContact CG1-CD1 4.49Å; I553-L558 HydrophobicContact CG2-CD2 3.68Å; S555-L558 VanDerWaalsContact O-CB 3.26Å; S555-L558 WeakPolarHBondContact O-CB 3.12Å; S555-L558 PolarHBondContact O-N 3.02Å; R556-L558 PolarHBondContact O-N 3.31Å; L558-Y560 VanDerWaalsContact C-N 3.32Å; L558-Y560 PolarHBondContact O-N 3.47Å; L558-S561 WeakPolarHBondContact O-CB 3.42Å; L558-S561 PolarHBondContact O-N 3.15Å; L558-S561 VanDerWaalsContact O-N 3.14Å; L558-V562 WeakPolarHBondContact O-CG2 3.48Å; L558-V562 PolarHBondContact O-N 3.14Å; L558-E606 PolarHBondContact N-OE1 3.47Å
559	V	87.8	Confident	86.2	Confident	31 Å²	31	42.4 Å²	42.4	19%	0.188	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-47.6	176.8	177.8	0	0	0	0	110.2	I221 R556 S561 V562 V563	I221-V559 HydrophobicContact CG2-CG2 3.52Å; R556-V559 WeakPolarHBondContact O-CB 3.39Å; R556-V559 PolarHBondContact O-N 3.46Å; R556-V559 VanDerWaalsContact O-N 3.17Å; V559-S561 VanDerWaalsContact C-N 3.31Å; V559-S561 PolarHBondContact O-N 3.41Å; V559-V562 PolarHBondContact O-N 3.34Å; V559-V563 WeakPolarHBondContact O-CG2 3.31Å; V559-V563 PolarHBondContact O-N 2.95Å
560	Y	88.5	Confident	86.5	Confident	119 Å²	119	43.7 Å²	43.7	47%	0.467	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-39.3	177.8	-65.8	-70.2	0	0	0	111.9	R556 G557 L558 V563 L564 I605 V613	R556-Y560 WeakPolarHBondContact O-CD2 3.44Å; G557-Y560 PolarHBondContact O-N 2.92Å; L558-Y560 VanDerWaalsContact C-N 3.32Å; L558-Y560 PolarHBondContact O-N 3.47Å; Y560-V563 PolarHBondContact O-N 3.5Å; Y560-L564 WeakPolarHBondContact O-CB 3.37Å; Y560-L564 WeakPolarHBondContact O-CG 3.44Å; Y560-L564 PolarHBondContact O-N 3.04Å; Y560-I605 HydrophobicContact CD2-CG2 4.32Å; Y560-V613 HydrophobicContact CD2-CG1 4.04Å; Y560-V613 HydrophobicContact CD2-CG2 4.47Å; Y560-V613 HydrophobicContact CE2-CG1 3.91Å; Y560-V613 HydrophobicContact CE2-CG2 4.06Å
561	S	88.8	Confident	86.9	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-40.6	176.7	-59.9	0	0	0	0	112.2	G557 L558 V559 L564 L565	G557-S561 PolarHBondContact O-N 2.87Å; G557-S561 PolarHBondContact O-OG 3.45Å; L558-S561 WeakPolarHBondContact O-CB 3.42Å; L558-S561 PolarHBondContact O-N 3.15Å; L558-S561 VanDerWaalsContact O-N 3.14Å; V559-S561 VanDerWaalsContact C-N 3.31Å; V559-S561 PolarHBondContact O-N 3.41Å; S561-L564 PolarHBondContact O-N 2.82Å; S561-L565 PolarHBondContact O-N 2.82Å
562	V	90.3	Very high	87.2	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-69.6	-36.7	175.8	-178.1	0	0	0	0	111.8	V174 V214 L217 I218 I221 L558 V559 L565 L566	V174-V562 HydrophobicContact CG1-CG2 4.03Å; V174-V562 HydrophobicContact CG2-CG2 3.61Å; V214-V562 HydrophobicContact CG1-CG1 4.05Å; L217-V562 HydrophobicContact CD2-CG1 4.01Å; L217-V562 HydrophobicContact CD2-CG2 4.37Å; L217-V562 HydrophobicContact CG-CG1 4.41Å; I218-V562 HydrophobicContact CD1-CG1 4.22Å; I218-V562 HydrophobicContact CG1-CB 4.31Å; I218-V562 HydrophobicContact CG1-CG1 3.5Å; I218-V562 VanDerWaalsContact CG1-CG1 3.5Å; I221-V562 HydrophobicContact CD1-CG2 4.22Å; L558-V562 WeakPolarHBondContact O-CG2 3.48Å; L558-V562 PolarHBondContact O-N 3.14Å; V559-V562 PolarHBondContact O-N 3.34Å; V562-L565 WeakPolarHBondContact O-CB 3.37Å; V562-L565 PolarHBondContact O-N 2.87Å; V562-L566 PolarHBondContact O-N 3.24Å; V562-L566 VanDerWaalsContact O-N 3.08Å
563	V	91.2	Very high	87.5	Confident	71 Å²	71	38.5 Å²	38.5	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-41.2	173.3	172.2	0	0	0	0	111.2	I218 V559 Y560 L565 L566 G567	I218-V563 HydrophobicContact CD1-CG2 4.15Å; I218-V563 HydrophobicContact CG1-CG2 4.47Å; I218-V563 HydrophobicContact CG2-CG2 4.49Å; V559-V563 WeakPolarHBondContact O-CG2 3.31Å; V559-V563 PolarHBondContact O-N 2.95Å; Y560-V563 PolarHBondContact O-N 3.5Å; V563-L565 VanDerWaalsContact C-N 3.3Å; V563-L565 PolarHBondContact O-N 2.71Å; V563-L566 WeakPolarHBondContact O-CB 3.38Å; V563-L566 PolarHBondContact O-N 2.93Å; V563-G567 PolarHBondContact O-N 3.47Å; V563-G567 VanDerWaalsContact O-N 3.11Å
564	L	90.2	Very high	87.8	Confident	61 Å²	61	42.2 Å²	42.2	32%	0.319	23%	0.228	S	C	.	.	H	α-helix	trans	-63.9	-36.1	173.7	-73.4	176.1	0	0	0	111.8	Y560 S561 G567 S568 F598 F601 I605	Y560-L564 WeakPolarHBondContact O-CB 3.37Å; Y560-L564 WeakPolarHBondContact O-CG 3.44Å; Y560-L564 PolarHBondContact O-N 3.04Å; S561-L564 PolarHBondContact O-N 2.82Å; L564-G567 PolarHBondContact O-N 3.48Å; L564-S568 PolarHBondContact O-N 2.86Å; L564-F598 HydrophobicContact CB-CD2 3.93Å; L564-F598 HydrophobicContact CB-CE2 3.57Å; L564-F601 HydrophobicContact CD1-CB 4.31Å; L564-I605 HydrophobicContact CD1-CD1 3.67Å
565	L	90.6	Very high	88.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-48.8	172.4	165.2	64.9	0	0	0	110.7	V174 A177 V178 Y210 V214 S561 V562 V563 G567 S568 V569	V174-L565 HydrophobicContact CG1-CD2 4.3Å; A177-L565 HydrophobicContact CB-CD1 4.4Å; A177-L565 HydrophobicContact CB-CD2 4.19Å; V178-L565 HydrophobicContact CB-CD1 4.35Å; V178-L565 HydrophobicContact CG2-CB 3.95Å; V178-L565 HydrophobicContact CG2-CD1 3.42Å; V178-L565 VanDerWaalsContact CG2-CD1 3.42Å; V178-L565 HydrophobicContact CG2-CG 4.16Å; Y210-L565 VanDerWaalsContact OH-CD1 3.31Å; Y210-L565 WeakPolarHBondContact OH-CD1 3.39Å; V214-L565 HydrophobicContact CG2-CD2 4.24Å; S561-L565 PolarHBondContact O-N 2.82Å; V562-L565 WeakPolarHBondContact O-CB 3.37Å; V562-L565 PolarHBondContact O-N 2.87Å; V563-L565 VanDerWaalsContact C-N 3.3Å; V563-L565 PolarHBondContact O-N 2.71Å; L565-G567 VanDerWaalsContact C-N 3.29Å; L565-G567 PolarHBondContact O-N 3.32Å; L565-S568 WeakPolarHBondContact O-CB 3.41Å; L565-S568 PolarHBondContact O-N 3.06Å; L565-S568 PolarHBondContact O-OG 2.94Å; L565-V569 HydrophobicContact CD1-CG2 4.33Å; L565-V569 WeakPolarHBondContact O-CG2 3.26Å; L565-V569 PolarHBondContact O-N 3.41Å; L565-V569 VanDerWaalsContact O-N 3.09Å
566	L	91.4	Very high	89.2	Confident	49 Å²	49	37.6 Å²	37.6	26%	0.257	20%	0.204	S	C	.	.	H	α-helix	trans	-56.1	-43.7	175.7	-175.9	66.7	0	0	0	112	T211 V214 I215 I218 V562 V563 S568 V569 A570	T211-L566 HydrophobicContact CG2-CD1 3.91Å; V214-L566 HydrophobicContact CB-CD1 4.39Å; V214-L566 HydrophobicContact CG1-CB 3.96Å; V214-L566 HydrophobicContact CG1-CD1 4.1Å; I215-L566 HydrophobicContact CG1-CD1 4.5Å; I215-L566 HydrophobicContact CG1-CD2 4.44Å; I218-L566 HydrophobicContact CD1-CB 4.45Å; I218-L566 HydrophobicContact CD1-CD2 4.08Å; V562-L566 PolarHBondContact O-N 3.24Å; V562-L566 VanDerWaalsContact O-N 3.08Å; V563-L566 WeakPolarHBondContact O-CB 3.38Å; V563-L566 PolarHBondContact O-N 2.93Å; L566-S568 VanDerWaalsContact C-N 3.34Å; L566-S568 PolarHBondContact O-N 3.31Å; L566-V569 PolarHBondContact O-N 3.1Å; L566-A570 PolarHBondContact O-N 3.28Å
567	G	91.6	Very high	89.7	Confident	33 Å²	33	35.1 Å²	35.1	34%	0.34	20%	0.199	S	C	.	.	H	α-helix	trans	-61.4	-41	174.9	0	0	0	0	0	112.8	V563 L564 L565 V569 A570 L571	V563-G567 PolarHBondContact O-N 3.47Å; V563-G567 VanDerWaalsContact O-N 3.11Å; L564-G567 PolarHBondContact O-N 3.48Å; L565-G567 VanDerWaalsContact C-N 3.29Å; L565-G567 PolarHBondContact O-N 3.32Å; G567-V569 VanDerWaalsContact C-N 3.34Å; G567-V569 PolarHBondContact O-N 3.03Å; G567-A570 PolarHBondContact O-N 2.83Å; G567-L571 WeakPolarHBondContact O-CG 3.43Å; G567-L571 PolarHBondContact O-N 2.75Å
568	S	90.7	Very high	90.2	Very high	5 Å²	5	41.1 Å²	41.1	4%	0.035	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-37.3	178.7	78.9	0	0	0	0	112.9	L564 L565 L566 L571 T572	L564-S568 PolarHBondContact O-N 2.86Å; L565-S568 WeakPolarHBondContact O-CB 3.41Å; L565-S568 PolarHBondContact O-N 3.06Å; L565-S568 PolarHBondContact O-OG 2.94Å; L566-S568 VanDerWaalsContact C-N 3.34Å; L566-S568 PolarHBondContact O-N 3.31Å; S568-L571 PolarHBondContact O-N 3.4Å; S568-T572 WeakPolarHBondContact O-CG2 3.13Å; S568-T572 PolarHBondContact O-N 3.26Å; S568-T572 PolarHBondContact O-OG1 3.48Å
569	V	90.3	Very high	90.6	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-45.6	175.4	177.5	0	0	0	0	111.2	I181 Y210 L565 L566 G567 L571 T572 V573	I181-V569 HydrophobicContact CG1-CG2 4.4Å; I181-V569 HydrophobicContact CG2-CG2 4.42Å; Y210-V569 HydrophobicContact CD1-CG1 4.1Å; Y210-V569 HydrophobicContact CD1-CG2 3.78Å; Y210-V569 HydrophobicContact CE1-CG1 4.48Å; Y210-V569 HydrophobicContact CE1-CG2 3.32Å; L565-V569 HydrophobicContact CD1-CG2 4.33Å; L565-V569 WeakPolarHBondContact O-CG2 3.26Å; L565-V569 PolarHBondContact O-N 3.41Å; L565-V569 VanDerWaalsContact O-N 3.09Å; L566-V569 PolarHBondContact O-N 3.1Å; G567-V569 VanDerWaalsContact C-N 3.34Å; G567-V569 PolarHBondContact O-N 3.03Å; V569-L571 VanDerWaalsContact C-N 3.29Å; V569-L571 PolarHBondContact O-N 3.11Å; V569-T572 WeakPolarHBondContact CA-OG1 3.47Å; V569-T572 PolarHBondContact O-N 2.98Å; V569-T572 PolarHBondContact O-OG1 3.01Å; V569-V573 HydrophobicContact CG1-CG2 4.43Å; V569-V573 VanDerWaalsContact O-CG2 3.32Å; V569-V573 WeakPolarHBondContact O-CG2 3.33Å; V569-V573 PolarHBondContact O-N 2.91Å
570	A	91.5	Very high	90.7	Very high	63 Å²	63	49.9 Å²	49.9	52%	0.521	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-42	177.5	0	0	0	0	0	111.1	L566 G567 L574	L566-A570 PolarHBondContact O-N 3.28Å; G567-A570 PolarHBondContact O-N 2.83Å; A570-L574 WeakPolarHBondContact O-CB 3.26Å; A570-L574 PolarHBondContact O-N 3.47Å
571	L	92.8	Very high	90.7	Very high	71 Å²	71	46.4 Å²	46.4	37%	0.372	25%	0.254	S	S	.	.	H	α-helix	trans	-68.5	-38.7	178.6	-70	174.6	0	0	0	113	G567 S568 V569 G575 L594	G567-L571 WeakPolarHBondContact O-CG 3.43Å; G567-L571 PolarHBondContact O-N 2.75Å; S568-L571 PolarHBondContact O-N 3.4Å; V569-L571 VanDerWaalsContact C-N 3.29Å; V569-L571 PolarHBondContact O-N 3.11Å; L571-G575 PolarHBondContact O-N 3.24Å; L571-L594 HydrophobicContact CB-CD2 3.71Å; L571-L594 HydrophobicContact CD1-CD1 3.77Å; L571-L594 HydrophobicContact CD1-CD2 4.31Å
572	T	90.4	Very high	90.7	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-68	-46.1	175.9	48.9	0	0	0	0	112.5	I181 L182 S568 V569 L574 G575 I576 V591 L594	I181-T572 HydrophobicContact CG2-CG2 3.81Å; I181-T572 WeakPolarHBondContact CG2-OG1 3.32Å; L182-T572 HydrophobicContact CD2-CG2 3.23Å; S568-T572 WeakPolarHBondContact O-CG2 3.13Å; S568-T572 PolarHBondContact O-N 3.26Å; S568-T572 PolarHBondContact O-OG1 3.48Å; V569-T572 WeakPolarHBondContact CA-OG1 3.47Å; V569-T572 PolarHBondContact O-N 2.98Å; V569-T572 PolarHBondContact O-OG1 3.01Å; T572-L574 VanDerWaalsContact C-N 3.3Å; T572-L574 PolarHBondContact O-N 3.44Å; T572-G575 PolarHBondContact O-N 3.02Å; T572-G575 VanDerWaalsContact O-N 3.15Å; T572-I576 WeakPolarHBondContact O-CG1 3.27Å; T572-I576 PolarHBondContact O-N 3.31Å; T572-V591 HydrophobicContact CG2-CG1 3.93Å; T572-V591 HydrophobicContact CG2-CG2 4.34Å; T572-L594 HydrophobicContact CG2-CD2 4.19Å
573	V	90.1	Very high	90.6	Very high	32 Å²	32	49.9 Å²	49.9	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-42.2	176.9	174.8	0	0	0	0	110.4	S207 V569 I576 H577	S207-V573 WeakPolarHBondContact OG-CG2 3.45Å; V569-V573 HydrophobicContact CG1-CG2 4.43Å; V569-V573 VanDerWaalsContact O-CG2 3.32Å; V569-V573 WeakPolarHBondContact O-CG2 3.33Å; V569-V573 PolarHBondContact O-N 2.91Å; V573-I576 PolarHBondContact O-N 3.49Å; V573-H577 WeakPolarHBondContact O-CB 3.37Å; V573-H577 PolarHBondContact O-N 3.19Å
574	L	91.3	Very high	90.6	Very high	87 Å²	87	48.2 Å²	48.2	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-61.2	-44.3	173.8	-179	61.7	0	0	0	111.4	A570 T572 I576 H577 L578	A570-L574 WeakPolarHBondContact O-CB 3.26Å; A570-L574 PolarHBondContact O-N 3.47Å; T572-L574 VanDerWaalsContact C-N 3.3Å; T572-L574 PolarHBondContact O-N 3.44Å; L574-I576 PolarHBondContact O-N 3.27Å; L574-H577 PolarHBondContact O-N 3.26Å; L574-L578 HydrophobicContact CD1-CD1 4.21Å; L574-L578 HydrophobicContact CD1-CG 4.14Å; L574-L578 HydrophobicContact CG-CD1 4Å; L574-L578 HydrophobicContact CG-CG 4.35Å; L574-L578 WeakPolarHBondContact O-CB 3.38Å; L574-L578 VanDerWaalsContact O-CG 3.23Å; L574-L578 WeakPolarHBondContact O-CG 3.48Å; L574-L578 PolarHBondContact O-N 3.46Å
575	G	90.8	Very high	90.7	Very high	7 Å²	7	53.1 Å²	53.1	7%	0.072	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-45.4	175.7	0	0	0	0	0	112.9	L571 T572 L578 N579	L571-G575 PolarHBondContact O-N 3.24Å; T572-G575 PolarHBondContact O-N 3.02Å; T572-G575 VanDerWaalsContact O-N 3.15Å; G575-L578 PolarHBondContact O-N 3.12Å; G575-N579 WeakPolarHBondContact O-CB 3.26Å; G575-N579 PolarHBondContact O-N 2.95Å
576	I	90.1	Very high	90.9	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-43.3	176.8	-64.9	162.6	0	0	0	110.9	L198 V203 T572 V573 L574 N579 K580 W581 L587	L198-I576 HydrophobicContact CD1-CG2 4.02Å; V203-I576 HydrophobicContact CG1-CD1 4.47Å; T572-I576 WeakPolarHBondContact O-CG1 3.27Å; T572-I576 PolarHBondContact O-N 3.31Å; V573-I576 PolarHBondContact O-N 3.49Å; L574-I576 PolarHBondContact O-N 3.27Å; I576-N579 CarbonylContact O-C 3.58Å; I576-N579 PolarHBondContact O-N 3.42Å; I576-K580 PolarHBondContact O-N 3.17Å; I576-W581 HydrophobicContact CG2-CE3 3.75Å; I576-W581 HydrophobicContact CG2-CH2 4.35Å; I576-W581 HydrophobicContact CG2-CZ3 3.64Å; I576-W581 PolarHBondContact O-N 2.95Å; I576-W581 VanDerWaalsContact O-N 3.09Å; I576-L587 HydrophobicContact CB-CD2 4.41Å; I576-L587 HydrophobicContact CG1-CD2 3.85Å
577	H	90.2	Very high	90.9	Very high	95 Å²	95	59.6 Å²	59.6	44%	0.44	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-46.1	177.6	179.6	-70.4	0	0	0	111.3	V573 L574 N579 K580 W581	V573-H577 WeakPolarHBondContact O-CB 3.37Å; V573-H577 PolarHBondContact O-N 3.19Å; L574-H577 PolarHBondContact O-N 3.26Å; H577-N579 PolarHBondContact O-N 3.14Å; H577-K580 PolarHBondContact O-N 3.41Å; H577-K580 VanDerWaalsContact O-N 3.07Å; H577-W581 HydrophobicContact CB-CH2 4.08Å; H577-W581 HydrophobicContact CB-CZ2 3.86Å; H577-W581 AromaticContact CD2-CZ2 3.61Å; H577-W581 AromaticContact CG-CZ2 4Å
578	L	92	Very high	91	Very high	125 Å²	125	58 Å²	58	65%	0.654	28%	0.283	S	S	*	.	H	α-helix	trans	-63.5	-31.7	177.3	-69.3	174.9	0	0	0	112	L574 G575 K580	L574-L578 HydrophobicContact CD1-CD1 4.21Å; L574-L578 HydrophobicContact CD1-CG 4.14Å; L574-L578 HydrophobicContact CG-CD1 4Å; L574-L578 HydrophobicContact CG-CG 4.35Å; L574-L578 WeakPolarHBondContact O-CB 3.38Å; L574-L578 VanDerWaalsContact O-CG 3.23Å; L574-L578 WeakPolarHBondContact O-CG 3.48Å; L574-L578 PolarHBondContact O-N 3.46Å; G575-L578 PolarHBondContact O-N 3.12Å; L578-K580 PolarHBondContact O-N 2.92Å
579	N	91.3	Very high	91.1	Very high	46 Å²	46	61.1 Å²	61.1	25%	0.246	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	22.5	174	-150.7	47.8	0	0	0	113.8	G575 I576 H577 W581 Q582 D584 L587	G575-N579 WeakPolarHBondContact O-CB 3.26Å; G575-N579 PolarHBondContact O-N 2.95Å; I576-N579 CarbonylContact O-C 3.58Å; I576-N579 PolarHBondContact O-N 3.42Å; H577-N579 PolarHBondContact O-N 3.14Å; N579-W581 VanDerWaalsContact C-N 3.27Å; N579-W581 PolarHBondContact O-N 3.39Å; N579-Q582 PolarHBondContact ND2-O 3.35Å; N579-Q582 PolarHBondContact O-N 2.71Å; N579-Q582 VanDerWaalsContact O-N 3.1Å; N579-D584 PolarHBondContact ND2-OD2 3.28Å; N579-L587 HydrophobicContact CB-CD1 4.48Å; N579-L587 HydrophobicContact CB-CD2 4.16Å
580	K	90.3	Very high	91.4	Very high	170 Å²	170	65.7 Å²	65.7	74%	0.739	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.6	174.7	-56.6	-178.5	179.2	-179.2	0	113.7	I576 H577 L578 Q582	I576-K580 PolarHBondContact O-N 3.17Å; H577-K580 PolarHBondContact O-N 3.41Å; H577-K580 VanDerWaalsContact O-N 3.07Å; L578-K580 PolarHBondContact O-N 2.92Å; K580-Q582 VanDerWaalsContact C-N 3.25Å; K580-Q582 PolarHBondContact O-N 3.27Å
581	W	89	Confident	91.5	Very high	46 Å²	46	62.7 Å²	62.7	17%	0.174	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	25.8	178.4	-51.4	95.3	0	0	0	114.6	L198 W200 V203 I576 H577 N579	L198-W581 PolarHBondContact N-O 3.35Å; L198-W581 WeakPolarHBondContact O-CB 3.49Å; W200-W581 HydrophobicContact CB-CD2 3.87Å; W200-W581 HydrophobicContact CB-CE3 4.14Å; W200-W581 HydrophobicContact CB-CG 4.49Å; W200-W581 HydrophobicContact CB-CZ2 4.24Å; W200-W581 AromaticContact CD2-CH2 3.94Å; W200-W581 HydrophobicContact CD2-CH2 3.94Å; W200-W581 AromaticContact CD2-CZ2 3.57Å; W200-W581 HydrophobicContact CD2-CZ2 3.57Å; W200-W581 HydrophobicContact CE3-CD2 4.4Å; W200-W581 AromaticContact CE3-CE2 3.7Å; W200-W581 HydrophobicContact CE3-CE3 4.27Å; W200-W581 AromaticContact CE3-CH2 2.84Å; W200-W581 HydrophobicContact CE3-CH2 2.84Å; W200-W581 AromaticContact CE3-CZ2 2.86Å; W200-W581 HydrophobicContact CE3-CZ2 2.86Å; W200-W581 AromaticContact CE3-CZ3 3.54Å; W200-W581 HydrophobicContact CE3-CZ3 3.54Å; W200-W581 HydrophobicContact CG-CZ2 4.22Å; W200-W581 HydrophobicContact CH2-CH2 4.36Å; W200-W581 HydrophobicContact CH2-CZ2 4.13Å; W200-W581 AromaticContact CZ3-CH2 3.09Å; W200-W581 HydrophobicContact CZ3-CH2 3.09Å; W200-W581 AromaticContact CZ3-CZ2 3.16Å; W200-W581 HydrophobicContact CZ3-CZ2 3.16Å; W200-W581 HydrophobicContact CZ3-CZ3 4.14Å; V203-W581 HydrophobicContact CB-CZ3 3.96Å; V203-W581 HydrophobicContact CG1-CZ3 4.05Å; V203-W581 HydrophobicContact CG2-CZ3 4.36Å; I576-W581 HydrophobicContact CG2-CE3 3.75Å; I576-W581 HydrophobicContact CG2-CH2 4.35Å; I576-W581 HydrophobicContact CG2-CZ3 3.64Å; I576-W581 PolarHBondContact O-N 2.95Å; I576-W581 VanDerWaalsContact O-N 3.09Å; H577-W581 HydrophobicContact CB-CH2 4.08Å; H577-W581 HydrophobicContact CB-CZ2 3.86Å; H577-W581 AromaticContact CD2-CZ2 3.61Å; H577-W581 AromaticContact CG-CZ2 4Å; N579-W581 VanDerWaalsContact C-N 3.27Å; N579-W581 PolarHBondContact O-N 3.39Å
582	Q	89.3	Confident	91.6	Very high	70 Å²	70	61.5 Å²	61.5	33%	0.327	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.6	175.1	-62.6	-175.9	-0.4	0	0	109.3	V195 N579 K580 D584	V195-Q582 HydrophobicContact CG1-CB 3.97Å; V195-Q582 HydrophobicContact CG1-CG 4.34Å; N579-Q582 PolarHBondContact ND2-O 3.35Å; N579-Q582 PolarHBondContact O-N 2.71Å; N579-Q582 VanDerWaalsContact O-N 3.1Å; K580-Q582 VanDerWaalsContact C-N 3.25Å; K580-Q582 PolarHBondContact O-N 3.27Å; Q582-D584 PolarHBondContact O-N 3.34Å
583	L	87.8	Confident	91.8	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	89.5	173.1	-175.5	66.9	0	0	0	108.5	I185 C188 V196 L198 L587	I185-L583 HydrophobicContact CG2-CD1 3.83Å; C188-L583 HydrophobicContact CB-CD2 4.08Å; V196-L583 HydrophobicContact CB-CB 4.18Å; V196-L583 PolarHBondContact N-O 2.99Å; V196-L583 PolarHBondContact O-N 3.16Å; L198-L583 HydrophobicContact CD1-CB 4.09Å; L583-L587 HydrophobicContact CD1-CD2 3.88Å; L583-L587 HydrophobicContact CD1-CG 4.31Å
584	D	92	Very high	92	Very high	37 Å²	37	64.6 Å²	64.6	20%	0.198	31%	0.306	C	S	.	.			trans	-93.2	163.6	177	-67	-47.1	0	0	0	112.1	V195 N579 Q582 K586 L587 G588	V195-D584 VanDerWaalsContact CG1-OD1 3.23Å; V195-D584 WeakPolarHBondContact CG1-OD1 3.29Å; V195-D584 VanDerWaalsContact CG2-OD1 3.25Å; V195-D584 WeakPolarHBondContact CG2-OD1 3.36Å; N579-D584 PolarHBondContact ND2-OD2 3.28Å; Q582-D584 PolarHBondContact O-N 3.34Å; D584-K586 PolarHBondContact O-N 3.31Å; D584-K586 VanDerWaalsContact O-N 3.12Å; D584-L587 PolarHBondContact O-N 2.88Å; D584-G588 PolarHBondContact O-N 3.02Å
585	R	92.4	Very high	92.1	Very high	163 Å²	163	62 Å²	62	62%	0.615	29%	0.291	S	S	*	.	H	α-helix	trans	-52.6	-34.8	171.4	-161.8	-177.2	169.7	106.1	-5.9	113.2	G189 L190 G588 V589	G189-R585 VanDerWaalsContact O-CA 3.28Å; G189-R585 WeakPolarHBondContact O-CA 3.3Å; G189-R585 PolarHBondContact O-N 3.38Å; L190-R585 HydrophobicContact CD1-CG 3.69Å; L190-R585 PolarHBondContact O-NH1 2.87Å; R585-G588 PolarHBondContact O-N 3.2Å; R585-V589 WeakPolarHBondContact O-CG2 3.11Å; R585-V589 PolarHBondContact O-N 3.42Å
586	K	92.9	Very high	92.3	Very high	176 Å²	176	64.4 Å²	64.4	77%	0.765	31%	0.31	S	S	*	.	H	α-helix	trans	-65.4	-46.4	177.1	-66.5	-179.5	-178.9	177	0	111.7	D584 G588 V589 Y590	D584-K586 PolarHBondContact O-N 3.31Å; D584-K586 VanDerWaalsContact O-N 3.12Å; K586-G588 VanDerWaalsContact C-N 3.33Å; K586-V589 PolarHBondContact O-N 2.98Å; K586-Y590 PolarHBondContact O-N 2.94Å
587	L	92.1	Very high	92.4	Very high	10 Å²	10	68 Å²	68	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-40.7	176.5	-174.5	64.8	0	0	0	110.3	I576 N579 L583 D584 V589 Y590 V591	I576-L587 HydrophobicContact CB-CD2 4.41Å; I576-L587 HydrophobicContact CG1-CD2 3.85Å; N579-L587 HydrophobicContact CB-CD1 4.48Å; N579-L587 HydrophobicContact CB-CD2 4.16Å; L583-L587 HydrophobicContact CD1-CD2 3.88Å; L583-L587 HydrophobicContact CD1-CG 4.31Å; D584-L587 PolarHBondContact O-N 2.88Å; L587-V589 PolarHBondContact O-N 2.67Å; L587-Y590 HydrophobicContact CD1-CD1 3.99Å; L587-Y590 WeakPolarHBondContact O-CB 2.76Å; L587-Y590 PolarHBondContact O-N 3.12Å; L587-Y590 VanDerWaalsContact O-N 3.17Å; L587-V591 HydrophobicContact CD1-CG2 4.4Å; L587-V591 HydrophobicContact CG-CG2 4.41Å; L587-V591 WeakPolarHBondContact O-CG2 3.45Å; L587-V591 PolarHBondContact O-N 2.99Å
588	G	93	Very high	92.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57	-45.9	175.1	0	0	0	0	0	113.3	D584 R585 K586 V591 L592	D584-G588 PolarHBondContact O-N 3.02Å; R585-G588 PolarHBondContact O-N 3.2Å; K586-G588 VanDerWaalsContact C-N 3.33Å; G588-V591 PolarHBondContact O-N 3.03Å; G588-L592 WeakPolarHBondContact O-CG 3.24Å; G588-L592 PolarHBondContact O-N 3.42Å
589	V	94.8	Very high	92.4	Very high	70 Å²	70	59.9 Å²	59.9	42%	0.424	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-42.9	174.9	173.9	0	0	0	0	111.6	L190 R585 K586 L587 V591 L592 V593	L190-V589 HydrophobicContact CD1-CG2 3.98Å; R585-V589 WeakPolarHBondContact O-CG2 3.11Å; R585-V589 PolarHBondContact O-N 3.42Å; K586-V589 PolarHBondContact O-N 2.98Å; L587-V589 PolarHBondContact O-N 2.67Å; V589-V591 VanDerWaalsContact C-N 3.34Å; V589-V591 PolarHBondContact O-N 2.94Å; V589-L592 PolarHBondContact O-N 2.98Å; V589-V593 HydrophobicContact CG1-CG2 4.39Å; V589-V593 WeakPolarHBondContact O-CG2 3.08Å; V589-V593 PolarHBondContact O-N 3.14Å
590	Y	94.9	Very high	92.4	Very high	99 Å²	99	61 Å²	61	39%	0.388	30%	0.298	S	S	.	.	H	α-helix	trans	-56.4	-47.8	176.4	165	-97	0	0	0	111.8	K586 L587 V593 L594	K586-Y590 PolarHBondContact O-N 2.94Å; L587-Y590 HydrophobicContact CD1-CD1 3.99Å; L587-Y590 WeakPolarHBondContact O-CB 2.76Å; L587-Y590 PolarHBondContact O-N 3.12Å; L587-Y590 VanDerWaalsContact O-N 3.17Å; Y590-V593 PolarHBondContact O-N 3.13Å; Y590-L594 PolarHBondContact O-N 3.37Å
591	V	93.8	Very high	92.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.6	-37.4	-179	-177.8	0	0	0	0	111.7	L182 T572 L587 G588 V589 L594 Y595	L182-V591 VanDerWaalsContact CA-CG1 3.49Å; L182-V591 HydrophobicContact CB-CG1 4.05Å; L182-V591 HydrophobicContact CD2-CG1 3.83Å; L182-V591 WeakPolarHBondContact O-CG1 3.36Å; T572-V591 HydrophobicContact CG2-CG1 3.93Å; T572-V591 HydrophobicContact CG2-CG2 4.34Å; L587-V591 HydrophobicContact CD1-CG2 4.4Å; L587-V591 HydrophobicContact CG-CG2 4.41Å; L587-V591 WeakPolarHBondContact O-CG2 3.45Å; L587-V591 PolarHBondContact O-N 2.99Å; G588-V591 PolarHBondContact O-N 3.03Å; V589-V591 VanDerWaalsContact C-N 3.34Å; V589-V591 PolarHBondContact O-N 2.94Å; V591-L594 WeakPolarHBondContact O-CB 3.28Å; V591-L594 PolarHBondContact O-N 3.07Å; V591-Y595 PolarHBondContact O-N 3.4Å
592	L	94.4	Very high	92.4	Very high	46 Å²	46	55.2 Å²	55.2	24%	0.241	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-37	174.1	-75.2	174.1	0	0	0	112.9	V187 L190 G588 V589 L594 Y595 A596	V187-L592 HydrophobicContact CG2-CD2 4.43Å; L190-L592 HydrophobicContact CD2-CD1 3.95Å; G588-L592 WeakPolarHBondContact O-CG 3.24Å; G588-L592 PolarHBondContact O-N 3.42Å; V589-L592 PolarHBondContact O-N 2.98Å; L592-L594 VanDerWaalsContact C-N 3.32Å; L592-Y595 WeakPolarHBondContact O-CB 3.47Å; L592-Y595 PolarHBondContact O-N 2.87Å; L592-A596 PolarHBondContact O-N 2.89Å; L592-A596 VanDerWaalsContact O-N 3.09Å
593	V	95.2	Very high	92.3	Very high	80 Å²	80	54.5 Å²	54.5	49%	0.485	27%	0.273	S	S	.	.	H	α-helix	trans	-65.3	-41	173.1	171.2	0	0	0	0	110.1	V589 Y590 Y595 A596 I597	V589-V593 HydrophobicContact CG1-CG2 4.39Å; V589-V593 WeakPolarHBondContact O-CG2 3.08Å; V589-V593 PolarHBondContact O-N 3.14Å; Y590-V593 PolarHBondContact O-N 3.13Å; V593-Y595 VanDerWaalsContact C-N 3.29Å; V593-Y595 PolarHBondContact O-N 3.17Å; V593-A596 PolarHBondContact O-N 3.18Å; V593-I597 HydrophobicContact CG1-CD1 3.91Å; V593-I597 HydrophobicContact CG1-CG1 4.44Å; V593-I597 WeakPolarHBondContact O-CG1 3.36Å; V593-I597 PolarHBondContact O-N 3.2Å
594	L	94	Very high	92.4	Very high	21 Å²	21	57 Å²	57	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-38.3	174.6	-174	63.1	0	0	0	111.9	L182 L571 T572 Y590 V591 L592 I597 F598	L182-L594 HydrophobicContact CD1-CG 4.39Å; L182-L594 HydrophobicContact CD2-CB 4.44Å; L182-L594 HydrophobicContact CD2-CD2 3.72Å; L182-L594 HydrophobicContact CD2-CG 4.07Å; L571-L594 HydrophobicContact CB-CD2 3.71Å; L571-L594 HydrophobicContact CD1-CD1 3.77Å; L571-L594 HydrophobicContact CD1-CD2 4.31Å; T572-L594 HydrophobicContact CG2-CD2 4.19Å; Y590-L594 PolarHBondContact O-N 3.37Å; V591-L594 WeakPolarHBondContact O-CB 3.28Å; V591-L594 PolarHBondContact O-N 3.07Å; L592-L594 VanDerWaalsContact C-N 3.32Å; L594-I597 PolarHBondContact O-N 3.2Å; L594-F598 WeakPolarHBondContact O-CB 3.24Å; L594-F598 PolarHBondContact O-N 3Å
595	Y	94.3	Very high	92.1	Very high	33 Å²	33	56.3 Å²	56.3	13%	0.129	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-48.3	172.7	-177.9	-119.8	0	0	0	112.5	V178 F179 L182 C183 V591 L592 V593 I597 F598 L599	V178-Y595 HydrophobicContact CG1-CD2 4.11Å; V178-Y595 HydrophobicContact CG1-CE2 4.28Å; F179-Y595 HydrophobicContact CD2-CE2 4.4Å; F179-Y595 AromaticContact CD2-CZ 3.89Å; F179-Y595 WeakPolarHBondContact CD2-OH 3.25Å; L182-Y595 HydrophobicContact CB-CD2 3.93Å; L182-Y595 HydrophobicContact CB-CG 4.18Å; L182-Y595 HydrophobicContact CD1-CD2 4.15Å; C183-Y595 HydrophobicContact CB-CD1 4.36Å; C183-Y595 HydrophobicContact CB-CE1 4.36Å; C183-Y595 HydrophobicContact CB-CG 4.49Å; V591-Y595 PolarHBondContact O-N 3.4Å; L592-Y595 WeakPolarHBondContact O-CB 3.47Å; L592-Y595 PolarHBondContact O-N 2.87Å; V593-Y595 VanDerWaalsContact C-N 3.29Å; V593-Y595 PolarHBondContact O-N 3.17Å; Y595-I597 VanDerWaalsContact C-N 3.31Å; Y595-I597 PolarHBondContact O-N 2.82Å; Y595-F598 PolarHBondContact O-N 3.1Å; Y595-L599 HydrophobicContact CD1-CD1 4.03Å; Y595-L599 HydrophobicContact CD2-CG 4.34Å; Y595-L599 HydrophobicContact CE1-CD1 3.41Å; Y595-L599 VanDerWaalsContact CE1-CD1 3.41Å; Y595-L599 HydrophobicContact CE1-CG 4.16Å; Y595-L599 HydrophobicContact CE2-CD1 4.04Å; Y595-L599 HydrophobicContact CE2-CD2 4.16Å; Y595-L599 HydrophobicContact CE2-CG 3.9Å; Y595-L599 VanDerWaalsContact CZ-CD1 3.4Å; Y595-L599 PolarHBondContact O-N 2.98Å
596	A	94	Very high	91.7	Very high	57 Å²	57	48.7 Å²	48.7	47%	0.471	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-39	178.5	0	0	0	0	0	112.1	L592 V593 C600	L592-A596 PolarHBondContact O-N 2.89Å; L592-A596 VanDerWaalsContact O-N 3.09Å; V593-A596 PolarHBondContact O-N 3.18Å; A596-C600 WeakPolarHBondContact O-CB 3.32Å; A596-C600 PolarHBondContact O-N 3.4Å
597	I	92.8	Very high	91.3	Very high	79 Å²	79	45 Å²	45	41%	0.405	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-50.3	174.5	-69.3	169.4	0	0	0	110.2	V593 L594 Y595 L599 C600 F601	V593-I597 HydrophobicContact CG1-CD1 3.91Å; V593-I597 HydrophobicContact CG1-CG1 4.44Å; V593-I597 WeakPolarHBondContact O-CG1 3.36Å; V593-I597 PolarHBondContact O-N 3.2Å; L594-I597 PolarHBondContact O-N 3.2Å; Y595-I597 VanDerWaalsContact C-N 3.31Å; Y595-I597 PolarHBondContact O-N 2.82Å; I597-L599 VanDerWaalsContact C-N 3.35Å; I597-L599 PolarHBondContact O-N 3.26Å; I597-C600 PolarHBondContact O-N 3.27Å; I597-F601 HydrophobicContact CG2-CD2 3.61Å; I597-F601 HydrophobicContact CG2-CE2 3.72Å; I597-F601 WeakPolarHBondContact O-CD2 3.5Å; I597-F601 PolarHBondContact O-N 2.03Å
598	F	91.7	Very high	90.8	Very high	15 Å²	15	46.4 Å²	46.4	7%	0.066	24%	0.244	C	C	.	.	H	α-helix	trans	-56	-48.4	178.1	171.5	-84.6	0	0	0	111.9	V178 L182 L564 L594 Y595 C600 F601 S602	V178-F598 HydrophobicContact CB-CD1 4.35Å; V178-F598 HydrophobicContact CB-CE1 3.98Å; V178-F598 HydrophobicContact CB-CZ 4.23Å; V178-F598 HydrophobicContact CG1-CD1 3.49Å; V178-F598 VanDerWaalsContact CG1-CD1 3.49Å; V178-F598 HydrophobicContact CG1-CD2 4.26Å; V178-F598 HydrophobicContact CG1-CE1 3.63Å; V178-F598 HydrophobicContact CG1-CE2 4.36Å; V178-F598 HydrophobicContact CG1-CG 3.84Å; V178-F598 HydrophobicContact CG1-CZ 4.09Å; V178-F598 HydrophobicContact CG2-CD1 4.36Å; V178-F598 HydrophobicContact CG2-CE1 3.69Å; V178-F598 HydrophobicContact CG2-CE2 3.87Å; V178-F598 HydrophobicContact CG2-CZ 3.43Å; V178-F598 VanDerWaalsContact CG2-CZ 3.43Å; L182-F598 HydrophobicContact CD1-CB 4.19Å; L564-F598 HydrophobicContact CB-CD2 3.93Å; L564-F598 HydrophobicContact CB-CE2 3.57Å; L594-F598 WeakPolarHBondContact O-CB 3.24Å; L594-F598 PolarHBondContact O-N 3Å; Y595-F598 PolarHBondContact O-N 3.1Å; F598-C600 VanDerWaalsContact C-N 3.35Å; F598-C600 PolarHBondContact O-N 3.48Å; F598-F601 PolarHBondContact O-N 3.24Å; F598-S602 VanDerWaalsContact CE1-OG 3.28Å; F598-S602 WeakPolarHBondContact CE1-OG 3.48Å; F598-S602 VanDerWaalsContact CZ-OG 3.25Å; F598-S602 WeakPolarHBondContact CZ-OG 3.25Å; F598-S602 WeakPolarHBondContact O-CB 3.38Å; F598-S602 PolarHBondContact O-N 3.48Å; F598-S602 PolarHBondContact O-OG 3.25Å
599	L	90.8	Very high	90.3	Very high	35 Å²	35	50.7 Å²	50.7	18%	0.183	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-46	179.6	-79.2	-177.5	0	0	0	111.3	T492 Y595 I597 S602 I603	T492-L599 HydrophobicContact CG2-CD2 3.81Å; Y595-L599 HydrophobicContact CD1-CD1 4.03Å; Y595-L599 HydrophobicContact CD2-CG 4.34Å; Y595-L599 HydrophobicContact CE1-CD1 3.41Å; Y595-L599 VanDerWaalsContact CE1-CD1 3.41Å; Y595-L599 HydrophobicContact CE1-CG 4.16Å; Y595-L599 HydrophobicContact CE2-CD1 4.04Å; Y595-L599 HydrophobicContact CE2-CD2 4.16Å; Y595-L599 HydrophobicContact CE2-CG 3.9Å; Y595-L599 VanDerWaalsContact CZ-CD1 3.4Å; Y595-L599 PolarHBondContact O-N 2.98Å; I597-L599 VanDerWaalsContact C-N 3.35Å; I597-L599 PolarHBondContact O-N 3.26Å; L599-S602 PolarHBondContact O-N 3.13Å; L599-I603 WeakPolarHBondContact O-CB 3.01Å; L599-I603 WeakPolarHBondContact O-CD1 3.4Å; L599-I603 WeakPolarHBondContact O-CG1 3.33Å; L599-I603 PolarHBondContact O-N 3.48Å
600	C	91.2	Very high	89.4	Confident	69 Å²	69	53 Å²	53	47%	0.466	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-49.4	178.3	-171.9	0	0	0	0	111.2	A596 I597 F598 S602 I603 M604	A596-C600 WeakPolarHBondContact O-CB 3.32Å; A596-C600 PolarHBondContact O-N 3.4Å; I597-C600 PolarHBondContact O-N 3.27Å; F598-C600 VanDerWaalsContact C-N 3.35Å; F598-C600 PolarHBondContact O-N 3.48Å; C600-S602 PolarHBondContact O-N 3.07Å; C600-I603 PolarHBondContact O-N 3.16Å; C600-M604 WeakPolarHBondContact O-CB 3.19Å; C600-M604 VanDerWaalsContact O-CG 3.23Å; C600-M604 WeakPolarHBondContact O-CG 3.47Å; C600-M604 PolarHBondContact O-N 2.71Å
601	F	90.6	Very high	88.2	Confident	95 Å²	95	51.9 Å²	51.9	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-43.1	177.8	-87.5	-74.6	0	0	0	112.7	L564 I597 F598 M604 I605 F610	L564-F601 HydrophobicContact CD1-CB 4.31Å; I597-F601 HydrophobicContact CG2-CD2 3.61Å; I597-F601 HydrophobicContact CG2-CE2 3.72Å; I597-F601 WeakPolarHBondContact O-CD2 3.5Å; I597-F601 PolarHBondContact O-N 2.03Å; F598-F601 PolarHBondContact O-N 3.24Å; F601-M604 PolarHBondContact O-N 3.5Å; F601-I605 VanDerWaalsContact O-CG1 3.26Å; F601-I605 WeakPolarHBondContact O-CG1 3.25Å; F601-I605 PolarHBondContact O-N 2.93Å; F601-F610 HydrophobicContact CD1-CE2 4.04Å; F601-F610 HydrophobicContact CD1-CZ 4.37Å; F601-F610 HydrophobicContact CE1-CE2 4.2Å; F601-F610 HydrophobicContact CE1-CZ 4.07Å
602	S	88.1	Confident	87.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-44.1	179.8	-56	0	0	0	0	111.3	F598 L599 C600 I605 E606	F598-S602 VanDerWaalsContact CE1-OG 3.28Å; F598-S602 WeakPolarHBondContact CE1-OG 3.48Å; F598-S602 VanDerWaalsContact CZ-OG 3.25Å; F598-S602 WeakPolarHBondContact CZ-OG 3.25Å; F598-S602 WeakPolarHBondContact O-CB 3.38Å; F598-S602 PolarHBondContact O-N 3.48Å; F598-S602 PolarHBondContact O-OG 3.25Å; L599-S602 PolarHBondContact O-N 3.13Å; C600-S602 PolarHBondContact O-N 3.07Å; S602-I605 PolarHBondContact O-N 3.33Å; S602-E606 WeakPolarHBondContact O-CG 3.42Å; S602-E606 PolarHBondContact O-N 3.39Å
603	I	88.5	Confident	86	Confident	56 Å²	56	57.9 Å²	57.9	29%	0.287	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-44.7	175.1	-69	167.6	0	0	0	110.8	I488 T492 L599 C600 I605 E606 F607	I488-I603 HydrophobicContact CG2-CG1 4.13Å; T492-I603 HydrophobicContact CG2-CD1 4.33Å; T492-I603 HydrophobicContact CG2-CG1 4.48Å; L599-I603 WeakPolarHBondContact O-CB 3.01Å; L599-I603 WeakPolarHBondContact O-CD1 3.4Å; L599-I603 WeakPolarHBondContact O-CG1 3.33Å; L599-I603 PolarHBondContact O-N 3.48Å; C600-I603 PolarHBondContact O-N 3.16Å; I603-I605 VanDerWaalsContact C-N 3.34Å; I603-I605 PolarHBondContact O-N 3.09Å; I603-E606 PolarHBondContact O-N 2.82Å; I603-F607 HydrophobicContact CG2-CD2 3.57Å; I603-F607 HydrophobicContact CG2-CE2 3.67Å; I603-F607 VanDerWaalsContact O-CD2 3.26Å; I603-F607 WeakPolarHBondContact O-CD2 3.29Å; I603-F607 PolarHBondContact O-N 3.24Å
604	M	88.4	Confident	85	Confident	57 Å²	57	54.7 Å²	54.7	28%	0.281	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-35.9	178.6	-73.3	179.2	77.3	0	0	113.2	C600 F601 V609 F610	C600-M604 WeakPolarHBondContact O-CB 3.19Å; C600-M604 VanDerWaalsContact O-CG 3.23Å; C600-M604 WeakPolarHBondContact O-CG 3.47Å; C600-M604 PolarHBondContact O-N 2.71Å; F601-M604 PolarHBondContact O-N 3.5Å; M604-V609 HydrophobicContact CB-CB 4.34Å; M604-V609 HydrophobicContact CB-CG2 4.42Å; M604-V609 HydrophobicContact CE-CB 4.4Å; M604-V609 HydrophobicContact CE-CG1 3.8Å; M604-V609 WeakPolarHBondContact O-CB 3.08Å; M604-V609 WeakPolarHBondContact O-CG2 3.41Å; M604-V609 PolarHBondContact O-N 2.9Å; M604-F610 HydrophobicContact CB-CD2 4.12Å; M604-F610 HydrophobicContact CB-CE2 3.65Å; M604-F610 HydrophobicContact CE-CD2 4.48Å; M604-F610 HydrophobicContact CE-CE1 4.14Å; M604-F610 HydrophobicContact CE-CE2 3.52Å; M604-F610 HydrophobicContact CE-CZ 3.31Å; M604-F610 HydrophobicContact CG-CE2 4.39Å; M604-F610 HydrophobicContact SD-CE2 3.91Å; M604-F610 HydrophobicContact SD-CZ 4.03Å
605	I	86.1	Confident	83.9	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.108	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-47.2	175.7	-72.2	165.1	0	0	0	110.2	Y560 L564 F601 S602 I603 F607 N608 F610	Y560-I605 HydrophobicContact CD2-CG2 4.32Å; L564-I605 HydrophobicContact CD1-CD1 3.67Å; F601-I605 VanDerWaalsContact O-CG1 3.26Å; F601-I605 WeakPolarHBondContact O-CG1 3.25Å; F601-I605 PolarHBondContact O-N 2.93Å; S602-I605 PolarHBondContact O-N 3.33Å; I603-I605 VanDerWaalsContact C-N 3.34Å; I603-I605 PolarHBondContact O-N 3.09Å; I605-F607 VanDerWaalsContact C-N 3.32Å; I605-F607 PolarHBondContact O-N 3.07Å; I605-N608 PolarHBondContact O-N 3.42Å; I605-F610 HydrophobicContact CG1-CD2 4.42Å
606	E	83.9	Confident	82.9	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.019	32%	0.316	C	S	.	.	H	α-helix	trans	-65.8	-33.6	-179.2	-74.8	-66.5	147.4	0	0	112.8	I488 G557 L558 S602 I603 N608 N614	I488-E606 HydrophobicContact CD1-CB 3.49Å; I488-E606 VanDerWaalsContact CD1-CB 3.49Å; I488-E606 HydrophobicContact CD1-CG 4.4Å; I488-E606 HydrophobicContact CG1-CB 3.48Å; I488-E606 VanDerWaalsContact CG1-CB 3.48Å; I488-E606 HydrophobicContact CG1-CG 3.85Å; G557-E606 WeakPolarHBondContact CA-OE1 3.31Å; L558-E606 PolarHBondContact N-OE1 3.47Å; S602-E606 WeakPolarHBondContact O-CG 3.42Å; S602-E606 PolarHBondContact O-N 3.39Å; I603-E606 PolarHBondContact O-N 2.82Å; E606-N608 PolarHBondContact O-N 2.78Å; E606-N614 VanDerWaalsContact CD-ND2 3.3Å; E606-N614 PolarHBondContact OE2-ND2 3.39Å
607	F	84.6	Confident	81.9	Confident	98 Å²	98	58.8 Å²	58.8	43%	0.43	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	11	172	-78.7	-63.9	0	0	0	114.4	I484 P485 I488 I603 I605 V609	I484-F607 HydrophobicContact CG1-CZ 4.49Å; P485-F607 HydrophobicContact CG-CE1 4.5Å; I488-F607 HydrophobicContact CD1-CD2 3.72Å; I488-F607 HydrophobicContact CD1-CE1 4.44Å; I488-F607 HydrophobicContact CD1-CE2 3.45Å; I488-F607 VanDerWaalsContact CD1-CE2 3.45Å; I488-F607 HydrophobicContact CD1-CG 4.32Å; I488-F607 HydrophobicContact CD1-CZ 3.84Å; I603-F607 HydrophobicContact CG2-CD2 3.57Å; I603-F607 HydrophobicContact CG2-CE2 3.67Å; I603-F607 VanDerWaalsContact O-CD2 3.26Å; I603-F607 WeakPolarHBondContact O-CD2 3.29Å; I603-F607 PolarHBondContact O-N 3.24Å; I605-F607 VanDerWaalsContact C-N 3.32Å; I605-F607 PolarHBondContact O-N 3.07Å; F607-V609 HydrophobicContact CB-CG2 4.13Å; F607-V609 PolarHBondContact O-N 3.5Å
608	N	82.5	Confident	81.1	Confident	40 Å²	40	55.5 Å²	55.5	21%	0.214	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	28.4	178.5	-59.7	-50.3	0	0	0	115	I605 E606 T611 V613 N614	I605-N608 PolarHBondContact O-N 3.42Å; E606-N608 PolarHBondContact O-N 2.78Å; N608-T611 CarbonylContact C-O 3.49Å; N608-T611 VanDerWaalsContact CA-O 3.27Å; N608-T611 WeakPolarHBondContact CA-O 3.49Å; N608-T611 PolarHBondContact OD1-O 3.42Å; N608-V613 WeakPolarHBondContact OD1-CA 3.46Å; N608-V613 PolarHBondContact OD1-N 3.08Å; N608-N614 PolarHBondContact ND2-O 3.23Å; N608-N614 PolarHBondContact OD1-N 3.17Å; N608-N614 PolarHBondContact OD1-O 2.7Å
609	V	82.5	Confident	80.2	Confident	90 Å²	90	61.9 Å²	61.9	55%	0.545	31%	0.311	S	S	.	.	S	Bend	trans	-67.9	-39.3	-176.4	178.7	0	0	0	0	111.4	M604 F607	M604-V609 HydrophobicContact CB-CB 4.34Å; M604-V609 HydrophobicContact CB-CG2 4.42Å; M604-V609 HydrophobicContact CE-CB 4.4Å; M604-V609 HydrophobicContact CE-CG1 3.8Å; M604-V609 WeakPolarHBondContact O-CB 3.08Å; M604-V609 WeakPolarHBondContact O-CG2 3.41Å; M604-V609 PolarHBondContact O-N 2.9Å; F607-V609 HydrophobicContact CB-CG2 4.13Å; F607-V609 PolarHBondContact O-N 3.5Å
610	F	75.2	Confident	78.8	Confident	118 Å²	118	65.9 Å²	65.9	52%	0.518	33%	0.329	S	S	.	.	S	Bend	trans	-92.2	-43.5	-177.2	-66.6	-68.8	0	0	0	113.2	F601 M604 I605	F601-F610 HydrophobicContact CD1-CE2 4.04Å; F601-F610 HydrophobicContact CD1-CZ 4.37Å; F601-F610 HydrophobicContact CE1-CE2 4.2Å; F601-F610 HydrophobicContact CE1-CZ 4.07Å; M604-F610 HydrophobicContact CB-CD2 4.12Å; M604-F610 HydrophobicContact CB-CE2 3.65Å; M604-F610 HydrophobicContact CE-CD2 4.48Å; M604-F610 HydrophobicContact CE-CE1 4.14Å; M604-F610 HydrophobicContact CE-CE2 3.52Å; M604-F610 HydrophobicContact CE-CZ 3.31Å; M604-F610 HydrophobicContact CG-CE2 4.39Å; M604-F610 HydrophobicContact SD-CE2 3.91Å; M604-F610 HydrophobicContact SD-CZ 4.03Å; I605-F610 HydrophobicContact CG1-CD2 4.42Å
611	T	69.6	Low	77	Confident	75 Å²	75	70.2 Å²	70.2	46%	0.46	35%	0.347	S	S	.	.	S	Bend	trans	-143.7	149	-178.4	47	0	0	0	0	108.7	N608 V613	N608-T611 CarbonylContact C-O 3.49Å; N608-T611 VanDerWaalsContact CA-O 3.27Å; N608-T611 WeakPolarHBondContact CA-O 3.49Å; N608-T611 PolarHBondContact OD1-O 3.42Å; T611-V613 WeakPolarHBondContact O-CG2 3.44Å; T611-V613 PolarHBondContact O-N 3.06Å; T611-V613 WeakPolarHBondContact OG1-CG2 3.48Å
612	F	70.8	Confident	74.9	Confident	155 Å²	155	74 Å²	74	68%	0.68	37%	0.372	S	S	*	.			trans	-75.4	98.2	172.3	-169.4	-94.6	0	0	0	108.8	L615	F612-L615 HydrophobicContact CE1-CD2 4.44Å; F612-L615 HydrophobicContact CZ-CD2 4.28Å
613	V	71.8	Confident	74.2	Confident	18 Å²	18	77.8 Å²	77.8	11%	0.109	39%	0.391	C	S	.	.			trans	-107.6	-39.1	-173.4	-176.6	0	0	0	0	111.3	R556 Y560 N608 T611	R556-V613 VanDerWaalsContact C-CG1 3.44Å; R556-V613 HydrophobicContact CB-CG1 3.46Å; R556-V613 VanDerWaalsContact CB-CG1 3.46Å; Y560-V613 HydrophobicContact CD2-CG1 4.04Å; Y560-V613 HydrophobicContact CD2-CG2 4.47Å; Y560-V613 HydrophobicContact CE2-CG1 3.91Å; Y560-V613 HydrophobicContact CE2-CG2 4.06Å; N608-V613 WeakPolarHBondContact OD1-CA 3.46Å; N608-V613 PolarHBondContact OD1-N 3.08Å; T611-V613 WeakPolarHBondContact O-CG2 3.44Å; T611-V613 PolarHBondContact O-N 3.06Å; T611-V613 WeakPolarHBondContact OG1-CG2 3.48Å
614	N	73.8	Confident	73.4	Confident	13 Å²	13	78.9 Å²	78.9	7%	0.07	40%	0.396	C	S	.	.	S	Bend	trans	-125	149.2	-174.9	-62.3	-43.2	0	0	0	111.9	S555 R556 G557 E606 N608	S555-N614 VanDerWaalsContact CA-OD1 3.31Å; S555-N614 WeakPolarHBondContact CA-OD1 3.34Å; S555-N614 WeakPolarHBondContact CB-OD1 3.46Å; R556-N614 PolarHBondContact N-OD1 2.99Å; G557-N614 PolarHBondContact N-OD1 3.04Å; E606-N614 VanDerWaalsContact CD-ND2 3.3Å; E606-N614 PolarHBondContact OE2-ND2 3.39Å; N608-N614 PolarHBondContact ND2-O 3.23Å; N608-N614 PolarHBondContact OD1-N 3.17Å; N608-N614 PolarHBondContact OD1-O 2.7Å
615	L	70.8	Confident	72.6	Confident	77 Å²	77	80.1 Å²	80.1	40%	0.403	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-74.8	148.6	170.5	-67.7	155	0	0	0	110	N76 F612	N76-L615 WeakPolarHBondContact O-CD2 3.42Å; F612-L615 HydrophobicContact CE1-CD2 4.44Å; F612-L615 HydrophobicContact CZ-CD2 4.28Å
616	P	72.7	Confident	71.8	Confident	77 Å²	77	83.6 Å²	83.6	50%	0.5	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-62	152.1	170.9	27.8	-34.6	0	0	0	110.8	N76 C77 T78	N76-P616 WeakPolarHBondContact O-CD 3.09Å; C77-P616 CarbonylContact C-O 3.58Å; C77-P616 WeakPolarHBondContact CA-O 3.06Å; C77-P616 WeakPolarHBondContact CB-O 3.44Å; T78-P616 PolarHBondContact N-O 3.03Å
617	M	73.8	Confident	71.1	Confident	42 Å²	42	88.6 Å²	88.6	21%	0.207	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-72.3	134.3	174.4	-175.3	-175.9	-79.4	0	0	110.1	T78 P80 Y480 R619	T78-M617 WeakPolarHBondContact O-CA 3.46Å; P80-M617 HydrophobicContact CB-CE 4.31Å; P80-M617 HydrophobicContact CB-CG 3.8Å; P80-M617 HydrophobicContact CB-SD 3.73Å; P80-M617 HydrophobicContact CG-CG 4.48Å; Y480-M617 HydrophobicContact CD2-SD 3.81Å; Y480-M617 HydrophobicContact CE2-SD 4.4Å; M617-R619 PolarHBondContact O-N 3.09Å
618	C	76.7	Confident	70.2	Confident	10 Å²	10	87.9 Å²	87.9	7%	0.068	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-64.3	130.3	177.4	-52.6	0	0	0	0	110	C77 T78	C77-C618 HydrophobicContact CB-CB 3.93Å; C77-C618 WeakPolarHBondContact CB-SG 3.42Å; C77-C618 WeakPolarHBondContact SG-CB 3.43Å; C77-C618 CovalentContact SG-SG 2.03Å; C77-C618 PolarHBondContact SG-SG 2.97Å; T78-C618 PolarHBondContact O-N 3.46Å
619	R	72.1	Confident	69.3	Low	149 Å²	149	91.4 Å²	91.4	56%	0.562	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-91.9	160.8	170.7	-76.1	-174.1	151.9	150.2	-2.5	110.6	M617 D621 D622	M617-R619 PolarHBondContact O-N 3.09Å; R619-D621 PolarHBondContact O-N 2.94Å; R619-D622 PolarHBondContact N-OD2 2.9Å; R619-D622 PolarHBondContact O-N 2.73Å; R619-D622 VanDerWaalsContact O-N 3.11Å
620	E	62.2	Low	68.3	Low	120 Å²	120	91.5 Å²	91.5	56%	0.561	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-16.7	177.2	-90.2	166.6	172	0	0	113.8	N92 Y480	N92-E620 VanDerWaalsContact CB-OE2 3.31Å; N92-E620 WeakPolarHBondContact CB-OE2 3.45Å; N92-E620 PolarHBondContact ND2-OE2 3.13Å; Y480-E620 WeakPolarHBondContact OH-CG 3.5Å
621	D	53.5	Low	67.7	Low	159 Å²	159	89.3 Å²	89.3	85%	0.85	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	1	-177.7	-60.9	-42.6	0	0	0	114.3	R619	R619-D621 PolarHBondContact O-N 2.94Å
622	D	44.6	Very low	67.5	Low	176 Å²	176	90.5 Å²	90.5	94%	0.941	45%	0.45	S	S	*	.			trans	-102.2	0	-174.3	-68.3	-41.7	0	0	0	115.6	R619	R619-D622 PolarHBondContact N-OD2 2.9Å; R619-D622 PolarHBondContact O-N 2.73Å; R619-D622 VanDerWaalsContact O-N 3.11Å

Retrieved 622 of 622 residues in 352.3 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).