A0A077ZHH8_TRITR Loading...

ABC tran and Peripla BP 4 domain containing prote in

AlphaFold DB , UniProt , Accession A0A077ZHH8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 727 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	58.5	Low	242 Å²	242	118 Å²	118	100%	1.192	73%	0.729	S	S	*	*				0	92	0	-70.9	178.1	-173.9	0	0	107.7	S3	M1-S3 PolarHBondContact O-N 2.85Å
2	S	39.8	Very low	61.7	Low	124 Å²	124	109 Å²	109	87%	0.867	67%	0.674	S	S	*	*			trans	-82.9	98.5	162.7	-172.2	0	0	0	0	104.9	M4	S2-M4 PolarHBondContact O-N 3.07Å
3	S	41.8	Very low	64.5	Low	106 Å²	106	100.6 Å²	100.6	74%	0.741	62%	0.622	S	S	*	*			trans	-63.5	115	166	43.6	0	0	0	0	105.3	M1 A5	M1-S3 PolarHBondContact O-N 2.85Å; S3-A5 PolarHBondContact O-N 2.98Å
4	M	44	Very low	66.8	Low	178 Å²	178	93.5 Å²	93.5	88%	0.877	58%	0.578	S	S	*	*			trans	-56	103.4	159.4	-86.3	175.3	154.4	0	0	104.9	S2 L6	S2-M4 PolarHBondContact O-N 3.07Å; M4-L6 VanDerWaalsContact C-N 3.29Å; M4-L6 PolarHBondContact O-N 3.38Å
5	A	46.7	Very low	68.7	Low	92 Å²	92	87.3 Å²	87.3	76%	0.76	54%	0.539	S	S	*	.			trans	-56	104.2	167.3	0	0	0	0	0	105.3	S3 A7	S3-A5 PolarHBondContact O-N 2.98Å; A5-A7 PolarHBondContact O-N 2.82Å
6	L	46.5	Very low	70.1	Confident	170 Å²	170	82.1 Å²	82.1	89%	0.89	51%	0.507	S	S	*	.			trans	-51.7	112.2	167.3	-81.3	148.1	0	0	0	105	M4 A8	M4-L6 VanDerWaalsContact C-N 3.29Å; M4-L6 PolarHBondContact O-N 3.38Å; L6-A8 PolarHBondContact O-N 3.42Å
7	A	56.4	Low	71	Confident	93 Å²	93	77.2 Å²	77.2	77%	0.769	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-50.6	133.4	177.2	0	0	0	0	0	107.9	A5	A5-A7 PolarHBondContact O-N 2.82Å
8	A	65.5	Low	71.6	Confident	83 Å²	83	73.1 Å²	73.1	69%	0.686	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-53.9	138.7	177.7	0	0	0	0	0	109.1	L6 L10	L6-A8 PolarHBondContact O-N 3.42Å; A8-L10 PolarHBondContact O-N 2.92Å
9	P	77.9	Confident	71.8	Confident	89 Å²	89	74.1 Å²	74.1	58%	0.578	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-60.5	124	-179.6	22.3	-30.7	0	0	0	109.7	T11	P9-T11 PolarHBondContact O-N 3.2Å
10	L	92.3	Very high	71.7	Confident	90 Å²	90	72 Å²	72	47%	0.471	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-61.2	135.6	-180	-67.6	170.5	0	0	0	109.9	A8 I40 T41 D67	A8-L10 PolarHBondContact O-N 2.92Å; L10-I40 HydrophobicContact CB-CG1 4.32Å; L10-I40 HydrophobicContact CB-CG2 4.36Å; L10-I40 CarbonylContact O-C 3.55Å; L10-I40 WeakPolarHBondContact O-CA 3.39Å; L10-I40 WeakPolarHBondContact O-CG2 3.45Å; L10-T41 PolarHBondContact O-N 2.84Å; L10-D67 WeakPolarHBondContact CA-OD2 3.32Å; L10-D67 HydrophobicContact CD2-CB 3.86Å
11	T	96	Very high	71.7	Confident	31 Å²	31	69.1 Å²	69.1	19%	0.19	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.6	170.5	-59.9	0	0	0	0	109.2	P9 T41 K43 V66 D67	P9-T11 PolarHBondContact O-N 3.2Å; T11-T41 CarbonylContact C-O 3.56Å; T11-T41 VanDerWaalsContact CA-O 3.29Å; T11-T41 WeakPolarHBondContact CA-O 3.32Å; T11-T41 HydrophobicContact CG2-CG2 4.23Å; T11-K43 HydrophobicContact CG2-CD 3.84Å; T11-K43 HydrophobicContact CG2-CG 4.19Å; T11-V66 HydrophobicContact CG2-CB 4.37Å; T11-V66 HydrophobicContact CG2-CG1 3.91Å; T11-V66 WeakPolarHBondContact O-CB 3.38Å; T11-D67 PolarHBondContact N-OD2 3.48Å; T11-D67 PolarHBondContact O-N 3.19Å
12	V	97	Very high	73.2	Confident	10 Å²	10	59.4 Å²	59.4	6%	0.061	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.1	-177.8	177.8	0	0	0	0	109.6	I40 T41 L42 K43 A68 F70	V12-I40 HydrophobicContact CB-CG2 4.02Å; V12-I40 HydrophobicContact CG2-CG2 3.56Å; V12-T41 PolarHBondContact N-O 3.32Å; V12-L42 HydrophobicContact CB-CD1 4.08Å; V12-L42 HydrophobicContact CG1-CD1 4.01Å; V12-L42 CarbonylContact O-C 3.59Å; V12-L42 WeakPolarHBondContact O-CA 3.48Å; V12-K43 PolarHBondContact O-N 3.19Å; V12-A68 WeakPolarHBondContact CA-O 3.32Å; V12-A68 HydrophobicContact CG1-CB 4.36Å; V12-A68 HydrophobicContact CG2-CB 4.28Å; V12-F70 HydrophobicContact CG1-CD2 3.45Å; V12-F70 VanDerWaalsContact CG1-CD2 3.45Å; V12-F70 HydrophobicContact CG1-CE2 3.64Å
13	G	97.3	Very high	75	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.2	170.5	0	0	0	0	0	110.8	K43 A68 I69 F70	G13-K43 CarbonylContact C-O 3.53Å; G13-K43 WeakPolarHBondContact CA-O 3.5Å; G13-A68 PolarHBondContact N-O 2.81Å; G13-I69 CarbonylContact O-C 3.49Å; G13-I69 WeakPolarHBondContact O-CA 3.5Å; G13-F70 PolarHBondContact O-N 2.9Å
14	F	96.7	Very high	76.9	Confident	1 Å²	1	53.7 Å²	53.7	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	109.9	170.6	178.5	-151.3	0	0	0	110	Q16 E27 A31 L42 K43 I44 A45 F70 A72 L96	F14-Q16 HydrophobicContact CD1-CB 4.45Å; F14-Q16 HydrophobicContact CE1-CB 4.02Å; F14-Q16 HydrophobicContact CE1-CG 4.09Å; F14-Q16 HydrophobicContact CE2-CB 4.21Å; F14-Q16 HydrophobicContact CZ-CB 3.89Å; F14-Q16 HydrophobicContact CZ-CG 3.83Å; F14-Q16 PolarHBondContact O-N 3.09Å; F14-E27 HydrophobicContact CZ-CG 4.32Å; F14-A31 HydrophobicContact CD1-CB 4.37Å; F14-A31 HydrophobicContact CE1-CB 4.32Å; F14-L42 HydrophobicContact CB-CD1 4Å; F14-K43 PolarHBondContact N-O 3.2Å; F14-I44 HydrophobicContact CB-CG1 4.2Å; F14-I44 HydrophobicContact CD1-CD1 4.45Å; F14-I44 HydrophobicContact CD1-CG1 4.08Å; F14-I44 HydrophobicContact CD1-CG2 4.38Å; F14-I44 WeakPolarHBondContact O-CA 3.49Å; F14-A45 PolarHBondContact O-N 2.9Å; F14-F70 WeakPolarHBondContact CA-O 3.32Å; F14-F70 HydrophobicContact CB-CB 4.29Å; F14-F70 HydrophobicContact CD2-CB 3.58Å; F14-F70 HydrophobicContact CE2-CB 4.27Å; F14-F70 HydrophobicContact CG-CB 4.21Å; F14-A72 HydrophobicContact CE2-CB 4.15Å; F14-A72 HydrophobicContact CZ-CB 4.48Å; F14-L96 HydrophobicContact CE2-CD1 4.1Å; F14-L96 HydrophobicContact CZ-CD1 4.42Å
15	S	95.6	Very high	78.6	Confident	0 Å²	0	47 Å²	47	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	98.7	172.9	-169.5	0	0	0	0	109.4	Q54 F70 A72	S15-Q54 VanDerWaalsContact OG-CA 3.28Å; S15-Q54 WeakPolarHBondContact OG-CA 3.46Å; S15-Q54 VanDerWaalsContact OG-CB 3.27Å; S15-Q54 WeakPolarHBondContact OG-CB 3.3Å; S15-Q54 PolarHBondContact OG-O 3.07Å; S15-F70 PolarHBondContact N-O 3.37Å; S15-A72 PolarHBondContact O-N 2.91Å
16	Q	91.1	Very high	80.1	Confident	4 Å²	4	45 Å²	45	2%	0.019	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	159.3	-178.4	-166.1	174.4	18.9	0	0	111.4	F14 R24 E27 T28 A45 G47 Q54	F14-Q16 HydrophobicContact CD1-CB 4.45Å; F14-Q16 HydrophobicContact CE1-CB 4.02Å; F14-Q16 HydrophobicContact CE1-CG 4.09Å; F14-Q16 HydrophobicContact CE2-CB 4.21Å; F14-Q16 HydrophobicContact CZ-CB 3.89Å; F14-Q16 HydrophobicContact CZ-CG 3.83Å; F14-Q16 PolarHBondContact O-N 3.09Å; Q16-R24 PolarHBondContact NE2-O 2.73Å; Q16-E27 PolarHBondContact NE2-OE2 2.99Å; Q16-E27 VanDerWaalsContact NE2-OE2 3.08Å; Q16-T28 PolarHBondContact NE2-OG1 3.3Å; Q16-T28 PolarHBondContact OE1-OG1 2.76Å; Q16-A45 PolarHBondContact N-O 2.82Å; Q16-G47 WeakPolarHBondContact O-CA 3.35Å; Q16-G47 PolarHBondContact O-N 3.24Å; Q16-Q54 PolarHBondContact O-NE2 2.92Å
17	V	85.5	Confident	81.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	26%	0.255	C	S	.	.			trans	-65.8	-50.8	174.6	178.3	0	0	0	0	112	E20 G47 Q48 Q49 A72 V74	V17-E20 WeakPolarHBondContact CG1-OE1 3.35Å; V17-G47 CarbonylContact O-C 3.6Å; V17-Q48 PolarHBondContact O-N 2.94Å; V17-Q48 VanDerWaalsContact O-N 3.09Å; V17-Q49 VanDerWaalsContact CG1-NE2 3.25Å; V17-Q49 PolarHBondContact O-N 3.01Å; V17-A72 HydrophobicContact CG2-CB 4.1Å; V17-A72 WeakPolarHBondContact CG2-O 3.36Å; V17-V74 HydrophobicContact CB-CG2 4.29Å; V17-V74 HydrophobicContact CG1-CG2 3.84Å; V17-V74 HydrophobicContact CG2-CG2 4.26Å
18	G	81.3	Confident	83.3	Confident	3 Å²	3	34.8 Å²	34.8	3%	0.031	22%	0.224	C	C	.	.			trans	155.7	-162.5	-172.2	0	0	0	0	0	111.6	R24 D46	G18-R24 WeakPolarHBondContact O-CB 3.24Å; G18-D46 VanDerWaalsContact CA-OD1 3.29Å; G18-D46 WeakPolarHBondContact CA-OD1 3.42Å
19	S	76.4	Confident	84.2	Confident	92 Å²	92	35.5 Å²	35.5	64%	0.643	22%	0.216	S	C	*	.	S	Bend	trans	-114.9	35.4	-179.6	43.5	0	0	0	0	112.7	S21	S19-S21 VanDerWaalsContact C-N 3.3Å; S19-S21 PolarHBondContact O-N 2.96Å
20	E	70.4	Confident	84.5	Confident	31 Å²	31	35.1 Å²	35.1	15%	0.145	21%	0.212	C	C	.	.			trans	-70.6	-19.3	-170.9	71.8	-86.1	-156.5	0	0	115.6	V17 R24 Q49 R98 F177 T178	V17-E20 WeakPolarHBondContact CG1-OE1 3.35Å; E20-R24 WeakPolarHBondContact OE1-CG 3.29Å; E20-R24 IonicContact OE1-NE 3.89Å; E20-Q49 VanDerWaalsContact CB-NE2 3.29Å; E20-Q49 PolarHBondContact OE1-NE2 2.95Å; E20-Q49 PolarHBondContact OE2-NE2 3.4Å; E20-R98 IonicContact OE1-NH2 3.41Å; E20-R98 PolarHBondContact OE1-NH2 2.87Å; E20-F177 HydrophobicContact CG-CB 4.4Å; E20-T178 HydrophobicContact CB-CG2 4.12Å
21	S	70.1	Confident	84.3	Confident	12 Å²	12	32.1 Å²	32.1	8%	0.084	20%	0.2	C	C	.	.	S	Bend	trans	-144.7	160.6	-172.9	62.2	0	0	0	0	111.7	S19 W23 R24 A25	S19-S21 VanDerWaalsContact C-N 3.3Å; S19-S21 PolarHBondContact O-N 2.96Å; S21-W23 PolarHBondContact O-N 3.48Å; S21-R24 PolarHBondContact O-N 3.45Å; S21-R24 WeakPolarHBondContact OG-CG 3.3Å; S21-R24 PolarHBondContact OG-N 3.21Å; S21-A25 PolarHBondContact O-N 2.04Å; S21-A25 VanDerWaalsContact O-N 3.16Å
22	G	69.9	Low	84	Confident	39 Å²	39	35.9 Å²	35.9	40%	0.402	21%	0.214	S	C	.	.	H	α-helix	trans	-57	-37.8	174.7	0	0	0	0	0	112.7	A25 A26 D208	G22-A25 PolarHBondContact O-N 3.36Å; G22-A26 WeakPolarHBondContact O-CB 3.38Å; G22-A26 PolarHBondContact O-N 3.21Å; G22-D208 PolarHBondContact N-OD2 3.35Å
23	W	77.7	Confident	83.3	Confident	109 Å²	109	36.8 Å²	36.8	41%	0.413	22%	0.221	S	C	.	.	H	α-helix	trans	-59.3	-46.6	175.9	-179.9	-104.9	0	0	0	112.4	S21 A26 E27 D97	S21-W23 PolarHBondContact O-N 3.48Å; W23-A26 WeakPolarHBondContact O-CB 3.41Å; W23-A26 PolarHBondContact O-N 3.32Å; W23-E27 PolarHBondContact O-N 3.14Å; W23-D97 PolarHBondContact NE1-OD1 3.45Å
24	R	81	Confident	82.9	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-42.1	-179.2	-73.4	-71.3	177.6	-149.9	-7.8	113.1	Q16 G18 E20 S21 A26 E27 T28 D97 R98	Q16-R24 PolarHBondContact NE2-O 2.73Å; G18-R24 WeakPolarHBondContact O-CB 3.24Å; E20-R24 WeakPolarHBondContact OE1-CG 3.29Å; E20-R24 IonicContact OE1-NE 3.89Å; S21-R24 PolarHBondContact O-N 3.45Å; S21-R24 WeakPolarHBondContact OG-CG 3.3Å; S21-R24 PolarHBondContact OG-N 3.21Å; R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 2.93Å; R24-E27 WeakPolarHBondContact CD-OE2 3.18Å; R24-E27 IonicContact CZ-OE2 3.18Å; R24-E27 IonicContact NH1-OE1 3.37Å; R24-E27 PolarHBondContact NH1-OE1 3Å; R24-E27 IonicContact NH1-OE2 2.82Å; R24-E27 PolarHBondContact NH1-OE2 2.86Å; R24-E27 PolarHBondContact O-N 3.27Å; R24-T28 PolarHBondContact O-N 2.9Å; R24-T28 PolarHBondContact O-OG1 3.38Å; R24-D97 IonicContact CZ-OD2 2.92Å; R24-D97 IonicContact NH1-OD2 3.52Å; R24-D97 PolarHBondContact NH1-OD2 2.81Å; R24-D97 IonicContact NH2-OD2 3.7Å; R24-D97 PolarHBondContact NH2-OD2 3.28Å; R24-R98 VanDerWaalsContact NH2-CD 3.33Å; R24-R98 VanDerWaalsContact NH2-CZ 3.27Å
25	A	78.8	Confident	82.5	Confident	38 Å²	38	39.8 Å²	39.8	31%	0.314	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-40.9	173.9	0	0	0	0	0	111.2	S21 G22 N29	S21-A25 PolarHBondContact O-N 2.04Å; S21-A25 VanDerWaalsContact O-N 3.16Å; G22-A25 PolarHBondContact O-N 3.36Å; A25-N29 WeakPolarHBondContact O-CB 3.41Å; A25-N29 PolarHBondContact O-N 3.06Å; A25-N29 VanDerWaalsContact O-N 3.1Å; A25-N29 PolarHBondContact O-ND2 2.98Å; A25-N29 VanDerWaalsContact O-ND2 3.1Å
26	A	79.8	Confident	82	Confident	48 Å²	48	46.5 Å²	46.5	40%	0.397	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-46.7	175.8	0	0	0	0	0	112.2	G22 W23 R24 T28 N29 V30	G22-A26 WeakPolarHBondContact O-CB 3.38Å; G22-A26 PolarHBondContact O-N 3.21Å; W23-A26 WeakPolarHBondContact O-CB 3.41Å; W23-A26 PolarHBondContact O-N 3.32Å; R24-A26 VanDerWaalsContact C-N 3.26Å; R24-A26 PolarHBondContact O-N 2.93Å; A26-T28 PolarHBondContact O-N 3.47Å; A26-N29 PolarHBondContact O-N 2.81Å; A26-V30 WeakPolarHBondContact O-CB 3.42Å; A26-V30 VanDerWaalsContact O-CG2 3.29Å; A26-V30 WeakPolarHBondContact O-CG2 3.33Å; A26-V30 PolarHBondContact O-N 3.24Å
27	E	83.5	Confident	81.4	Confident	33 Å²	33	50.8 Å²	50.8	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-55.9	-47.3	175.9	-178.3	-167.5	-129.5	0	0	111.5	F14 Q16 W23 R24 N29 A31	F14-E27 HydrophobicContact CZ-CG 4.32Å; Q16-E27 PolarHBondContact NE2-OE2 2.99Å; Q16-E27 VanDerWaalsContact NE2-OE2 3.08Å; W23-E27 PolarHBondContact O-N 3.14Å; R24-E27 WeakPolarHBondContact CD-OE2 3.18Å; R24-E27 IonicContact CZ-OE2 3.18Å; R24-E27 IonicContact NH1-OE1 3.37Å; R24-E27 PolarHBondContact NH1-OE1 3Å; R24-E27 IonicContact NH1-OE2 2.82Å; R24-E27 PolarHBondContact NH1-OE2 2.86Å; R24-E27 PolarHBondContact O-N 3.27Å; E27-N29 PolarHBondContact O-N 2.76Å; E27-A31 VanDerWaalsContact O-CB 3.24Å; E27-A31 WeakPolarHBondContact O-CB 3.4Å; E27-A31 PolarHBondContact O-N 3.2Å
28	T	85.1	Confident	81.6	Confident	16 Å²	16	57.9 Å²	57.9	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-47.9	177.5	-42.5	0	0	0	0	111.4	Q16 R24 A26 A31 K32 I44	Q16-T28 PolarHBondContact NE2-OG1 3.3Å; Q16-T28 PolarHBondContact OE1-OG1 2.76Å; R24-T28 PolarHBondContact O-N 2.9Å; R24-T28 PolarHBondContact O-OG1 3.38Å; A26-T28 PolarHBondContact O-N 3.47Å; T28-A31 PolarHBondContact O-N 3.29Å; T28-K32 HydrophobicContact CG2-CD 4.48Å; T28-K32 WeakPolarHBondContact O-CG 3.48Å; T28-K32 PolarHBondContact O-N 2.9Å; T28-I44 HydrophobicContact CG2-CD1 3.91Å; T28-I44 HydrophobicContact CG2-CG2 4.47Å
29	N	85	Confident	81.9	Confident	98 Å²	98	60 Å²	60	52%	0.524	33%	0.334	S	S	.	.	H	α-helix	trans	-69.1	-41.2	-173.9	-70.9	-22.4	0	0	0	111.2	A25 A26 E27 K32 S33	A25-N29 WeakPolarHBondContact O-CB 3.41Å; A25-N29 PolarHBondContact O-N 3.06Å; A25-N29 VanDerWaalsContact O-N 3.1Å; A25-N29 PolarHBondContact O-ND2 2.98Å; A25-N29 VanDerWaalsContact O-ND2 3.1Å; A26-N29 PolarHBondContact O-N 2.81Å; E27-N29 PolarHBondContact O-N 2.76Å; N29-K32 PolarHBondContact O-N 3.21Å; N29-S33 WeakPolarHBondContact O-CB 3.07Å; N29-S33 PolarHBondContact O-N 2.86Å
30	V	84.3	Confident	82.7	Confident	82 Å²	82	57.6 Å²	57.6	50%	0.497	31%	0.314	S	S	.	.	H	α-helix	trans	-65.1	-44.3	174.6	173.5	0	0	0	0	110.3	A26 K32 S33 E34	A26-V30 WeakPolarHBondContact O-CB 3.42Å; A26-V30 VanDerWaalsContact O-CG2 3.29Å; A26-V30 WeakPolarHBondContact O-CG2 3.33Å; A26-V30 PolarHBondContact O-N 3.24Å; V30-K32 PolarHBondContact O-N 3.43Å; V30-S33 PolarHBondContact O-N 3.29Å; V30-E34 HydrophobicContact CG1-CG 3.96Å; V30-E34 WeakPolarHBondContact O-CB 2.99Å; V30-E34 VanDerWaalsContact O-CG 3.29Å; V30-E34 WeakPolarHBondContact O-CG 3.04Å; V30-E34 PolarHBondContact O-N 3.04Å
31	A	87.6	Confident	83.9	Confident	27 Å²	27	59.3 Å²	59.3	22%	0.223	33%	0.327	C	S	.	.	H	α-helix	trans	-59.1	-45.4	177.2	0	0	0	0	0	112.2	F14 E27 T28 A35 L42	F14-A31 HydrophobicContact CD1-CB 4.37Å; F14-A31 HydrophobicContact CE1-CB 4.32Å; E27-A31 VanDerWaalsContact O-CB 3.24Å; E27-A31 WeakPolarHBondContact O-CB 3.4Å; E27-A31 PolarHBondContact O-N 3.2Å; T28-A31 PolarHBondContact O-N 3.29Å; A31-A35 VanDerWaalsContact O-CB 3.28Å; A31-A35 WeakPolarHBondContact O-CB 3.34Å; A31-A35 PolarHBondContact O-N 3.49Å; A31-L42 HydrophobicContact CB-CD2 3.95Å; A31-L42 WeakPolarHBondContact O-CD2 3.49Å
32	K	89.2	Confident	85	Confident	109 Å²	109	60.6 Å²	60.6	47%	0.474	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-52	175	-74.3	177.3	179.2	175.2	0	111.7	T28 N29 V30 E34 A35 E36 L42 I44	T28-K32 HydrophobicContact CG2-CD 4.48Å; T28-K32 WeakPolarHBondContact O-CG 3.48Å; T28-K32 PolarHBondContact O-N 2.9Å; N29-K32 PolarHBondContact O-N 3.21Å; V30-K32 PolarHBondContact O-N 3.43Å; K32-E34 PolarHBondContact O-N 3.17Å; K32-A35 PolarHBondContact O-N 2.85Å; K32-E36 PolarHBondContact O-N 2.9Å; K32-L42 HydrophobicContact CG-CD2 4.48Å; K32-I44 HydrophobicContact CD-CD1 3.98Å; K32-I44 HydrophobicContact CG-CD1 3.35Å
33	S	83.5	Confident	86.3	Confident	30 Å²	30	62.1 Å²	62.1	21%	0.21	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-43.6	-177.5	-170.1	0	0	0	0	111.8	N29 V30 A35 E36 K37	N29-S33 WeakPolarHBondContact O-CB 3.07Å; N29-S33 PolarHBondContact O-N 2.86Å; V30-S33 PolarHBondContact O-N 3.29Å; S33-A35 PolarHBondContact O-N 3.42Å; S33-E36 PolarHBondContact O-N 2.98Å; S33-K37 WeakPolarHBondContact O-CB 3.36Å; S33-K37 WeakPolarHBondContact O-CG 3.39Å; S33-K37 PolarHBondContact O-N 3.37Å
34	E	87.6	Confident	87	Confident	55 Å²	55	59.4 Å²	59.4	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-70	-31.6	179.8	-69	-59.6	117.3	0	0	112.8	V30 K32 K37 R38	V30-E34 HydrophobicContact CG1-CG 3.96Å; V30-E34 WeakPolarHBondContact O-CB 2.99Å; V30-E34 VanDerWaalsContact O-CG 3.29Å; V30-E34 WeakPolarHBondContact O-CG 3.04Å; V30-E34 PolarHBondContact O-N 3.04Å; K32-E34 PolarHBondContact O-N 3.17Å; E34-K37 IonicContact OE1-NZ 2.81Å; E34-K37 PolarHBondContact OE1-NZ 3.18Å; E34-R38 WeakPolarHBondContact O-CG 3.5Å; E34-R38 PolarHBondContact O-N 3.03Å; E34-R38 PolarHBondContact O-NH1 3.28Å; E34-R38 IonicContact OE2-CZ 2.8Å; E34-R38 IonicContact OE2-NH1 3.2Å; E34-R38 PolarHBondContact OE2-NH1 3.39Å; E34-R38 IonicContact OE2-NH2 2.79Å; E34-R38 PolarHBondContact OE2-NH2 3.05Å
35	A	89.2	Confident	87.6	Confident	8 Å²	8	60.5 Å²	60.5	7%	0.066	33%	0.33	C	S	.	.	H	α-helix	trans	-69	-47.6	173.6	0	0	0	0	0	111.7	A31 K32 S33 K37 R38 G39 I40 L42	A31-A35 VanDerWaalsContact O-CB 3.28Å; A31-A35 WeakPolarHBondContact O-CB 3.34Å; A31-A35 PolarHBondContact O-N 3.49Å; K32-A35 PolarHBondContact O-N 2.85Å; S33-A35 PolarHBondContact O-N 3.42Å; A35-K37 VanDerWaalsContact C-N 3.35Å; A35-K37 PolarHBondContact O-N 2.84Å; A35-R38 CarbonylContact O-C 3.57Å; A35-R38 PolarHBondContact O-N 3.46Å; A35-G39 PolarHBondContact O-N 2.95Å; A35-G39 VanDerWaalsContact O-N 3.17Å; A35-I40 CarbonylContact C-O 3.51Å; A35-I40 HydrophobicContact CB-CB 4.13Å; A35-I40 HydrophobicContact CB-CG2 4.38Å; A35-I40 PolarHBondContact O-N 3.19Å; A35-L42 HydrophobicContact CB-CB 3.54Å; A35-L42 HydrophobicContact CB-CD2 3.99Å; A35-L42 HydrophobicContact CB-CG 4.26Å
36	E	85.6	Confident	88	Confident	141 Å²	141	62.3 Å²	62.3	66%	0.659	33%	0.334	S	S	*	.	H	α-helix	trans	-58.2	-46.4	177.1	-175.9	176.4	-172.1	0	0	111.6	K32 S33 R38 G39	K32-E36 PolarHBondContact O-N 2.9Å; S33-E36 PolarHBondContact O-N 2.98Å; E36-R38 PolarHBondContact O-N 3.01Å; E36-R38 VanDerWaalsContact O-N 3.14Å; E36-G39 PolarHBondContact O-N 3.16Å
37	K	78.7	Confident	88.5	Confident	94 Å²	94	60 Å²	60	41%	0.409	32%	0.316	S	S	.	.	H	α-helix	trans	-55.5	-31.4	175.4	-74.4	173.5	-168	179.4	0	113.7	S33 E34 A35	S33-K37 WeakPolarHBondContact O-CB 3.36Å; S33-K37 WeakPolarHBondContact O-CG 3.39Å; S33-K37 PolarHBondContact O-N 3.37Å; E34-K37 IonicContact OE1-NZ 2.81Å; E34-K37 PolarHBondContact OE1-NZ 3.18Å; A35-K37 VanDerWaalsContact C-N 3.35Å; A35-K37 PolarHBondContact O-N 2.84Å
38	R	88.2	Confident	88.6	Confident	150 Å²	150	64.6 Å²	64.6	57%	0.566	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	4	-178.1	-72.1	169.9	-175.3	70.6	-4.2	112.9	E34 A35 E36 I40	E34-R38 WeakPolarHBondContact O-CG 3.5Å; E34-R38 PolarHBondContact O-N 3.03Å; E34-R38 PolarHBondContact O-NH1 3.28Å; E34-R38 IonicContact OE2-CZ 2.8Å; E34-R38 IonicContact OE2-NH1 3.2Å; E34-R38 PolarHBondContact OE2-NH1 3.39Å; E34-R38 IonicContact OE2-NH2 2.79Å; E34-R38 PolarHBondContact OE2-NH2 3.05Å; A35-R38 CarbonylContact O-C 3.57Å; A35-R38 PolarHBondContact O-N 3.46Å; E36-R38 PolarHBondContact O-N 3.01Å; E36-R38 VanDerWaalsContact O-N 3.14Å; R38-I40 HydrophobicContact CB-CD1 3.75Å; R38-I40 HydrophobicContact CB-CG1 3.8Å; R38-I40 PolarHBondContact O-N 2.81Å
39	G	87.9	Confident	88.6	Confident	47 Å²	47	66.8 Å²	66.8	49%	0.485	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	26.6	-174.6	0	0	0	0	0	113	A35 E36	A35-G39 PolarHBondContact O-N 2.95Å; A35-G39 VanDerWaalsContact O-N 3.17Å; E36-G39 PolarHBondContact O-N 3.16Å
40	I	93	Very high	88.8	Confident	42 Å²	42	67.5 Å²	67.5	22%	0.215	35%	0.345	C	S	.	.			trans	-93.7	126.6	179.3	-60.7	175.7	0	0	0	108.6	L10 V12 A35 R38 L42	L10-I40 HydrophobicContact CB-CG1 4.32Å; L10-I40 HydrophobicContact CB-CG2 4.36Å; L10-I40 CarbonylContact O-C 3.55Å; L10-I40 WeakPolarHBondContact O-CA 3.39Å; L10-I40 WeakPolarHBondContact O-CG2 3.45Å; V12-I40 HydrophobicContact CB-CG2 4.02Å; V12-I40 HydrophobicContact CG2-CG2 3.56Å; A35-I40 CarbonylContact C-O 3.51Å; A35-I40 HydrophobicContact CB-CB 4.13Å; A35-I40 HydrophobicContact CB-CG2 4.38Å; A35-I40 PolarHBondContact O-N 3.19Å; R38-I40 HydrophobicContact CB-CD1 3.75Å; R38-I40 HydrophobicContact CB-CG1 3.8Å; R38-I40 PolarHBondContact O-N 2.81Å; I40-L42 PolarHBondContact O-N 3.43Å; I40-L42 VanDerWaalsContact O-N 3.14Å
41	T	95.1	Very high	89.3	Confident	67 Å²	67	65.3 Å²	65.3	41%	0.411	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	97.9	171.7	-60.1	0	0	0	0	109.4	L10 T11 V12	L10-T41 PolarHBondContact O-N 2.84Å; T11-T41 CarbonylContact C-O 3.56Å; T11-T41 VanDerWaalsContact CA-O 3.29Å; T11-T41 WeakPolarHBondContact CA-O 3.32Å; T11-T41 HydrophobicContact CG2-CG2 4.23Å; V12-T41 PolarHBondContact N-O 3.32Å
42	L	95	Very high	89.6	Confident	39 Å²	39	69.6 Å²	69.6	20%	0.204	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.8	178.3	-172	70.6	0	0	0	111.7	V12 F14 A31 K32 A35 I40 I44	V12-L42 HydrophobicContact CB-CD1 4.08Å; V12-L42 HydrophobicContact CG1-CD1 4.01Å; V12-L42 CarbonylContact O-C 3.59Å; V12-L42 WeakPolarHBondContact O-CA 3.48Å; F14-L42 HydrophobicContact CB-CD1 4Å; A31-L42 HydrophobicContact CB-CD2 3.95Å; A31-L42 WeakPolarHBondContact O-CD2 3.49Å; K32-L42 HydrophobicContact CG-CD2 4.48Å; A35-L42 HydrophobicContact CB-CB 3.54Å; A35-L42 HydrophobicContact CB-CD2 3.99Å; A35-L42 HydrophobicContact CB-CG 4.26Å; I40-L42 PolarHBondContact O-N 3.43Å; I40-L42 VanDerWaalsContact O-N 3.14Å; L42-I44 HydrophobicContact CD2-CD1 3.72Å; L42-I44 HydrophobicContact CD2-CG1 3.85Å; L42-I44 HydrophobicContact CG-CD1 4.26Å; L42-I44 HydrophobicContact CG-CG1 3.87Å
43	K	95.5	Very high	89.9	Confident	70 Å²	70	66.4 Å²	66.4	30%	0.304	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	104.1	174.7	-66	-179.4	176.5	174.6	0	109.7	T11 V12 G13 F14 F61 V66	T11-K43 HydrophobicContact CG2-CD 3.84Å; T11-K43 HydrophobicContact CG2-CG 4.19Å; V12-K43 PolarHBondContact O-N 3.19Å; G13-K43 CarbonylContact C-O 3.53Å; G13-K43 WeakPolarHBondContact CA-O 3.5Å; F14-K43 PolarHBondContact N-O 3.2Å; K43-F61 HydrophobicContact CB-CD1 4.42Å; K43-F61 HydrophobicContact CB-CE1 3.8Å; K43-F61 WeakPolarHBondContact O-CE1 3.39Å; K43-F61 WeakPolarHBondContact O-CZ 3.33Å; K43-V66 HydrophobicContact CD-CG1 4.43Å
44	I	93.2	Very high	90.5	Very high	53 Å²	53	65 Å²	65	27%	0.272	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.1	-179.3	-59.6	169.7	0	0	0	110.1	F14 T28 K32 L42	F14-I44 HydrophobicContact CB-CG1 4.2Å; F14-I44 HydrophobicContact CD1-CD1 4.45Å; F14-I44 HydrophobicContact CD1-CG1 4.08Å; F14-I44 HydrophobicContact CD1-CG2 4.38Å; F14-I44 WeakPolarHBondContact O-CA 3.49Å; T28-I44 HydrophobicContact CG2-CD1 3.91Å; T28-I44 HydrophobicContact CG2-CG2 4.47Å; K32-I44 HydrophobicContact CD-CD1 3.98Å; K32-I44 HydrophobicContact CG-CD1 3.35Å; L42-I44 HydrophobicContact CD2-CD1 3.72Å; L42-I44 HydrophobicContact CD2-CG1 3.85Å; L42-I44 HydrophobicContact CG-CD1 4.26Å; L42-I44 HydrophobicContact CG-CG1 3.87Å
45	A	92.9	Very high	91	Very high	24 Å²	24	63.7 Å²	63.7	20%	0.198	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.2	169.6	0	0	0	0	0	110	F14 Q16 A57 F61	F14-A45 PolarHBondContact O-N 2.9Å; Q16-A45 PolarHBondContact N-O 2.82Å; A45-A57 HydrophobicContact CB-CB 3.34Å; A45-F61 HydrophobicContact CB-CE2 4.31Å; A45-F61 HydrophobicContact CB-CZ 3.73Å
46	D	88.9	Confident	91.3	Very high	75 Å²	75	69.9 Å²	69.9	40%	0.401	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.4	175	-170.4	-39	0	0	0	109.8	G18 Q48	G18-D46 VanDerWaalsContact CA-OD1 3.29Å; G18-D46 WeakPolarHBondContact CA-OD1 3.42Å; D46-Q48 PolarHBondContact O-N 2.99Å; D46-Q48 VanDerWaalsContact OD1-CA 3.3Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.49Å; D46-Q48 PolarHBondContact OD1-N 3.36Å
47	G	89	Confident	91.9	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.01	32%	0.316	C	S	.	.			trans	-71.6	-14.7	177.2	0	0	0	0	0	114.2	Q16 V17 Q49 K50 N53	Q16-G47 WeakPolarHBondContact O-CA 3.35Å; Q16-G47 PolarHBondContact O-N 3.24Å; V17-G47 CarbonylContact O-C 3.6Å; G47-Q49 PolarHBondContact O-N 3.4Å; G47-K50 WeakPolarHBondContact O-CB 3.33Å; G47-K50 PolarHBondContact O-N 2.88Å; G47-N53 VanDerWaalsContact O-CB 3.25Å; G47-N53 WeakPolarHBondContact O-CB 3.34Å; G47-N53 PolarHBondContact O-ND2 2.77Å; G47-N53 VanDerWaalsContact O-ND2 3.12Å
48	Q	86.2	Confident	92.7	Very high	129 Å²	129	59.3 Å²	59.3	60%	0.603	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	41.8	-175.4	-53.8	180	-42.1	0	0	112.4	V17 D46 K50 N53	V17-Q48 PolarHBondContact O-N 2.94Å; V17-Q48 VanDerWaalsContact O-N 3.09Å; D46-Q48 PolarHBondContact O-N 2.99Å; D46-Q48 VanDerWaalsContact OD1-CA 3.3Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.49Å; D46-Q48 PolarHBondContact OD1-N 3.36Å; Q48-K50 PolarHBondContact O-N 3.23Å; Q48-N53 PolarHBondContact OE1-ND2 3.3Å
49	Q	84.7	Confident	93.2	Very high	61 Å²	61	57.4 Å²	57.4	29%	0.285	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	17.7	-174.6	-64.7	-68.9	-18.8	0	0	114.8	V17 E20 G47	V17-Q49 VanDerWaalsContact CG1-NE2 3.25Å; V17-Q49 PolarHBondContact O-N 3.01Å; E20-Q49 VanDerWaalsContact CB-NE2 3.29Å; E20-Q49 PolarHBondContact OE1-NE2 2.95Å; E20-Q49 PolarHBondContact OE2-NE2 3.4Å; G47-Q49 PolarHBondContact O-N 3.4Å
50	K	89.6	Confident	93.7	Very high	114 Å²	114	57.8 Å²	57.8	50%	0.496	29%	0.285	S	S	.	.			trans	-121	120.5	-177.7	-67.2	176.2	-175.9	177.2	0	111	G47 Q48 E52 N53 Q54	G47-K50 WeakPolarHBondContact O-CB 3.33Å; G47-K50 PolarHBondContact O-N 2.88Å; Q48-K50 PolarHBondContact O-N 3.23Å; K50-E52 PolarHBondContact O-N 2.89Å; K50-N53 HydrophobicContact CB-CB 4.27Å; K50-N53 WeakPolarHBondContact O-CB 3.49Å; K50-N53 PolarHBondContact O-N 3.25Å; K50-Q54 PolarHBondContact O-N 3.24Å
51	Q	94.1	Very high	93.9	Very high	36 Å²	36	56.2 Å²	56.2	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-37.7	176.4	-176.2	-177.1	32.2	0	0	111.6	N53 Q54 I55 V75 T77 W79	Q51-N53 PolarHBondContact O-N 3.22Å; Q51-Q54 WeakPolarHBondContact O-CB 3.27Å; Q51-Q54 PolarHBondContact O-N 2.86Å; Q51-Q54 VanDerWaalsContact O-N 3.08Å; Q51-I55 HydrophobicContact CG-CD1 3.79Å; Q51-I55 HydrophobicContact CG-CG1 4.16Å; Q51-I55 WeakPolarHBondContact O-CG1 3.15Å; Q51-I55 PolarHBondContact O-N 2.81Å; Q51-V75 HydrophobicContact CB-CG2 4.1Å; Q51-V75 HydrophobicContact CG-CG2 4.08Å; Q51-T77 PolarHBondContact NE2-O 3.29Å; Q51-W79 HydrophobicContact CG-CZ2 4.11Å; Q51-W79 VanDerWaalsContact NE2-NE1 3.16Å
52	E	94.4	Very high	94	Very high	117 Å²	117	54.3 Å²	54.3	55%	0.547	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-36.2	-178.5	-57.9	82.5	179	0	0	111.8	K50 K56	K50-E52 PolarHBondContact O-N 2.89Å; E52-K56 WeakPolarHBondContact O-CB 3.42Å; E52-K56 VanDerWaalsContact O-CG 3.27Å; E52-K56 WeakPolarHBondContact O-CG 3.48Å; E52-K56 PolarHBondContact O-N 2.98Å
53	N	95.8	Very high	94.1	Very high	41 Å²	41	56.9 Å²	56.9	22%	0.219	29%	0.291	C	S	.	.	H	α-helix	trans	-69.8	-40.4	175.4	-72.3	-10.6	0	0	0	111	G47 Q48 K50 Q51 K56 A57	G47-N53 VanDerWaalsContact O-CB 3.25Å; G47-N53 WeakPolarHBondContact O-CB 3.34Å; G47-N53 PolarHBondContact O-ND2 2.77Å; G47-N53 VanDerWaalsContact O-ND2 3.12Å; Q48-N53 PolarHBondContact OE1-ND2 3.3Å; K50-N53 HydrophobicContact CB-CB 4.27Å; K50-N53 WeakPolarHBondContact O-CB 3.49Å; K50-N53 PolarHBondContact O-N 3.25Å; Q51-N53 PolarHBondContact O-N 3.22Å; N53-K56 PolarHBondContact O-N 3.29Å; N53-A57 PolarHBondContact O-N 2.91Å
54	Q	96.4	Very high	94.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-44.9	175.4	-62.5	-168.7	-60.2	0	0	111.9	S15 Q16 K50 Q51 K56 A57 V58 A72 V74 W79	S15-Q54 VanDerWaalsContact OG-CA 3.28Å; S15-Q54 WeakPolarHBondContact OG-CA 3.46Å; S15-Q54 VanDerWaalsContact OG-CB 3.27Å; S15-Q54 WeakPolarHBondContact OG-CB 3.3Å; S15-Q54 PolarHBondContact OG-O 3.07Å; Q16-Q54 PolarHBondContact O-NE2 2.92Å; K50-Q54 PolarHBondContact O-N 3.24Å; Q51-Q54 WeakPolarHBondContact O-CB 3.27Å; Q51-Q54 PolarHBondContact O-N 2.86Å; Q51-Q54 VanDerWaalsContact O-N 3.08Å; Q54-K56 VanDerWaalsContact C-N 3.34Å; Q54-K56 PolarHBondContact O-N 3.5Å; Q54-A57 WeakPolarHBondContact O-CB 3.48Å; Q54-A57 PolarHBondContact O-N 3.43Å; Q54-A57 VanDerWaalsContact O-N 3.12Å; Q54-V58 WeakPolarHBondContact O-CG2 3.2Å; Q54-V58 PolarHBondContact O-N 3.27Å; Q54-A72 PolarHBondContact NE2-O 2.94Å; Q54-V74 VanDerWaalsContact CD-CG2 3.46Å; Q54-V74 HydrophobicContact CG-CG2 4.24Å; Q54-W79 HydrophobicContact CB-CH2 3.57Å; Q54-W79 HydrophobicContact CB-CZ2 4.44Å; Q54-W79 HydrophobicContact CB-CZ3 4.24Å; Q54-W79 HydrophobicContact CG-CH2 4.37Å
55	I	97	Very high	94.1	Very high	29 Å²	29	58 Å²	58	15%	0.149	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-44.3	175.7	-69.8	172	0	0	0	110.8	Q51 A57 V58 R59 W79 V82	Q51-I55 HydrophobicContact CG-CD1 3.79Å; Q51-I55 HydrophobicContact CG-CG1 4.16Å; Q51-I55 WeakPolarHBondContact O-CG1 3.15Å; Q51-I55 PolarHBondContact O-N 2.81Å; I55-A57 VanDerWaalsContact C-N 3.3Å; I55-A57 PolarHBondContact O-N 3.17Å; I55-V58 PolarHBondContact O-N 3Å; I55-R59 WeakPolarHBondContact O-CG 3.35Å; I55-R59 PolarHBondContact O-N 3.48Å; I55-W79 HydrophobicContact CG1-CE3 4.37Å; I55-W79 HydrophobicContact CG1-CZ3 4.35Å; I55-V82 HydrophobicContact CG1-CG1 4.29Å; I55-V82 HydrophobicContact CG2-CB 4.18Å; I55-V82 HydrophobicContact CG2-CG1 4.49Å; I55-V82 HydrophobicContact CG2-CG2 4.25Å
56	K	96.8	Very high	94.3	Very high	138 Å²	138	57 Å²	57	60%	0.6	30%	0.303	S	S	*	.	H	α-helix	trans	-59.9	-40.5	174.8	-76.3	173	-176.1	176.2	0	112.1	E52 N53 Q54 R59 S60	E52-K56 WeakPolarHBondContact O-CB 3.42Å; E52-K56 VanDerWaalsContact O-CG 3.27Å; E52-K56 WeakPolarHBondContact O-CG 3.48Å; E52-K56 PolarHBondContact O-N 2.98Å; N53-K56 PolarHBondContact O-N 3.29Å; Q54-K56 VanDerWaalsContact C-N 3.34Å; Q54-K56 PolarHBondContact O-N 3.5Å; K56-R59 PolarHBondContact O-N 3.47Å; K56-S60 WeakPolarHBondContact O-CB 3.32Å; K56-S60 PolarHBondContact O-N 3.29Å
57	A	96.6	Very high	94.7	Very high	12 Å²	12	57.1 Å²	57.1	10%	0.099	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-47.4	176.7	0	0	0	0	0	111.9	A45 N53 Q54 I55 R59 S60 F61	A45-A57 HydrophobicContact CB-CB 3.34Å; N53-A57 PolarHBondContact O-N 2.91Å; Q54-A57 WeakPolarHBondContact O-CB 3.48Å; Q54-A57 PolarHBondContact O-N 3.43Å; Q54-A57 VanDerWaalsContact O-N 3.12Å; I55-A57 VanDerWaalsContact C-N 3.3Å; I55-A57 PolarHBondContact O-N 3.17Å; A57-R59 VanDerWaalsContact C-N 3.33Å; A57-R59 PolarHBondContact O-N 3.06Å; A57-S60 CarbonylContact O-C 3.56Å; A57-S60 WeakPolarHBondContact O-CA 3.18Å; A57-S60 WeakPolarHBondContact O-CB 3.35Å; A57-S60 PolarHBondContact O-N 3.07Å; A57-F61 HydrophobicContact CB-CE2 4.17Å; A57-F61 HydrophobicContact CB-CZ 4.44Å; A57-F61 VanDerWaalsContact O-CD2 3.27Å; A57-F61 WeakPolarHBondContact O-CD2 3.43Å; A57-F61 VanDerWaalsContact O-CG 3.27Å; A57-F61 WeakPolarHBondContact O-CG 3.46Å; A57-F61 PolarHBondContact O-N 3.43Å
58	V	97.5	Very high	95.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-45.7	176.6	177.5	0	0	0	0	110.7	Q54 I55 S60 F61 V62 I69 I71 W79 V82	Q54-V58 WeakPolarHBondContact O-CG2 3.2Å; Q54-V58 PolarHBondContact O-N 3.27Å; I55-V58 PolarHBondContact O-N 3Å; V58-S60 VanDerWaalsContact C-N 3.3Å; V58-S60 PolarHBondContact O-N 3.44Å; V58-F61 WeakPolarHBondContact O-CB 3.16Å; V58-F61 PolarHBondContact O-N 3.47Å; V58-F61 VanDerWaalsContact O-N 3.11Å; V58-V62 WeakPolarHBondContact O-CG2 3.16Å; V58-V62 PolarHBondContact O-N 3.11Å; V58-I69 HydrophobicContact CG1-CD1 4.03Å; V58-I69 HydrophobicContact CG1-CG2 4.42Å; V58-I69 HydrophobicContact CG2-CG2 4.27Å; V58-I71 HydrophobicContact CG2-CD1 3.81Å; V58-I71 HydrophobicContact CG2-CG1 4.08Å; V58-W79 HydrophobicContact CG2-CZ3 4.33Å; V58-V82 HydrophobicContact CB-CG2 3.8Å; V58-V82 HydrophobicContact CG1-CG1 4.47Å; V58-V82 HydrophobicContact CG1-CG2 3.51Å
59	R	97.7	Very high	95.7	Very high	111 Å²	111	51.6 Å²	51.6	42%	0.419	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-40.1	174.2	-73.4	-173.5	168.4	143.1	0.6	113.2	I55 K56 A57 F61 V62 A63 V82 E85	I55-R59 WeakPolarHBondContact O-CG 3.35Å; I55-R59 PolarHBondContact O-N 3.48Å; K56-R59 PolarHBondContact O-N 3.47Å; A57-R59 VanDerWaalsContact C-N 3.33Å; A57-R59 PolarHBondContact O-N 3.06Å; R59-F61 VanDerWaalsContact C-N 3.33Å; R59-V62 PolarHBondContact O-N 2.58Å; R59-A63 WeakPolarHBondContact O-CB 3.45Å; R59-A63 PolarHBondContact O-N 2.85Å; R59-V82 HydrophobicContact CG-CG2 3.76Å; R59-E85 WeakPolarHBondContact CG-OE2 3.47Å; R59-E85 IonicContact CZ-OE1 2.8Å; R59-E85 IonicContact CZ-OE2 2.84Å; R59-E85 IonicContact NE-OE1 3.23Å; R59-E85 PolarHBondContact NE-OE1 3.23Å; R59-E85 IonicContact NE-OE2 3.66Å; R59-E85 PolarHBondContact NE-OE2 3.47Å; R59-E85 IonicContact NH2-OE1 3.31Å; R59-E85 PolarHBondContact NH2-OE1 3.29Å; R59-E85 IonicContact NH2-OE2 3.83Å
60	S	97.5	Very high	96.2	Very high	55 Å²	55	51.6 Å²	51.6	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-39.8	175.8	-170.5	0	0	0	0	111.5	K56 A57 V58 A63 Q64	K56-S60 WeakPolarHBondContact O-CB 3.32Å; K56-S60 PolarHBondContact O-N 3.29Å; A57-S60 CarbonylContact O-C 3.56Å; A57-S60 WeakPolarHBondContact O-CA 3.18Å; A57-S60 WeakPolarHBondContact O-CB 3.35Å; A57-S60 PolarHBondContact O-N 3.07Å; V58-S60 VanDerWaalsContact C-N 3.3Å; V58-S60 PolarHBondContact O-N 3.44Å; S60-A63 PolarHBondContact O-N 3.38Å; S60-Q64 WeakPolarHBondContact O-CB 3.48Å; S60-Q64 WeakPolarHBondContact O-CG 3.34Å; S60-Q64 PolarHBondContact O-N 3.03Å; S60-Q64 PolarHBondContact O-NE2 2.81Å; S60-Q64 VanDerWaalsContact O-NE2 3.12Å; S60-Q64 PolarHBondContact OG-NE2 3.18Å
61	F	98.2	Very high	96.5	Very high	9 Å²	9	46.1 Å²	46.1	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-42.6	175.3	-61.5	-35.4	0	0	0	112.1	K43 A45 A57 V58 R59 Q64 G65 V66 I69	K43-F61 HydrophobicContact CB-CD1 4.42Å; K43-F61 HydrophobicContact CB-CE1 3.8Å; K43-F61 WeakPolarHBondContact O-CE1 3.39Å; K43-F61 WeakPolarHBondContact O-CZ 3.33Å; A45-F61 HydrophobicContact CB-CE2 4.31Å; A45-F61 HydrophobicContact CB-CZ 3.73Å; A57-F61 HydrophobicContact CB-CE2 4.17Å; A57-F61 HydrophobicContact CB-CZ 4.44Å; A57-F61 VanDerWaalsContact O-CD2 3.27Å; A57-F61 WeakPolarHBondContact O-CD2 3.43Å; A57-F61 VanDerWaalsContact O-CG 3.27Å; A57-F61 WeakPolarHBondContact O-CG 3.46Å; A57-F61 PolarHBondContact O-N 3.43Å; V58-F61 WeakPolarHBondContact O-CB 3.16Å; V58-F61 PolarHBondContact O-N 3.47Å; V58-F61 VanDerWaalsContact O-N 3.11Å; R59-F61 VanDerWaalsContact C-N 3.33Å; F61-Q64 PolarHBondContact O-N 3.19Å; F61-G65 PolarHBondContact O-N 3.43Å; F61-V66 HydrophobicContact CB-CG1 4.13Å; F61-V66 HydrophobicContact CB-CG2 3.76Å; F61-V66 HydrophobicContact CD1-CG1 4.43Å; F61-V66 PolarHBondContact O-N 3.01Å; F61-I69 HydrophobicContact CB-CD1 3.81Å; F61-I69 HydrophobicContact CB-CG1 4.02Å; F61-I69 HydrophobicContact CD2-CG2 4.3Å
62	V	97.2	Very high	96.4	Very high	27 Å²	27	44.4 Å²	44.4	16%	0.164	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-48.8	173.9	173.4	0	0	0	0	110.8	V58 R59 Q64 G65 I69 A86 A89 I91	V58-V62 WeakPolarHBondContact O-CG2 3.16Å; V58-V62 PolarHBondContact O-N 3.11Å; R59-V62 PolarHBondContact O-N 2.58Å; V62-Q64 PolarHBondContact O-N 3.38Å; V62-G65 PolarHBondContact O-N 3.14Å; V62-I69 HydrophobicContact CG2-CD1 3.81Å; V62-A86 HydrophobicContact CG2-CB 3.81Å; V62-A89 HydrophobicContact CG1-CB 3.73Å; V62-I91 HydrophobicContact CB-CD1 4.36Å; V62-I91 HydrophobicContact CG1-CD1 4.4Å; V62-I91 HydrophobicContact CG2-CD1 4.29Å
63	A	96.3	Very high	96.4	Very high	92 Å²	92	38.9 Å²	38.9	76%	0.76	22%	0.221	S	C	*	.	H	α-helix	trans	-64.1	-27	178.3	0	0	0	0	0	113.7	R59 S60 G65	R59-A63 WeakPolarHBondContact O-CB 3.45Å; R59-A63 PolarHBondContact O-N 2.85Å; S60-A63 PolarHBondContact O-N 3.38Å; A63-G65 VanDerWaalsContact C-N 3.31Å
64	Q	95.7	Very high	96.1	Very high	92 Å²	92	37.2 Å²	37.2	43%	0.43	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.7	175.6	-74.3	173.1	65.1	0	0	113.4	S60 F61 V62 V66	S60-Q64 WeakPolarHBondContact O-CB 3.48Å; S60-Q64 WeakPolarHBondContact O-CG 3.34Å; S60-Q64 PolarHBondContact O-N 3.03Å; S60-Q64 PolarHBondContact O-NE2 2.81Å; S60-Q64 VanDerWaalsContact O-NE2 3.12Å; S60-Q64 PolarHBondContact OG-NE2 3.18Å; F61-Q64 PolarHBondContact O-N 3.19Å; V62-Q64 PolarHBondContact O-N 3.38Å; Q64-V66 HydrophobicContact CB-CG1 4.32Å
65	G	94.2	Very high	96	Very high	54 Å²	54	38.6 Å²	38.6	56%	0.557	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	43.6	-177.4	0	0	0	0	0	113	F61 V62 A63	F61-G65 PolarHBondContact O-N 3.43Å; V62-G65 PolarHBondContact O-N 3.14Å; A63-G65 VanDerWaalsContact C-N 3.31Å
66	V	97	Very high	95.8	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.024	22%	0.217	C	C	.	.			trans	-65.7	152.9	173.4	-56	0	0	0	0	110.9	T11 K43 F61 Q64 A68 I69 I91	T11-V66 HydrophobicContact CG2-CB 4.37Å; T11-V66 HydrophobicContact CG2-CG1 3.91Å; T11-V66 WeakPolarHBondContact O-CB 3.38Å; K43-V66 HydrophobicContact CD-CG1 4.43Å; F61-V66 HydrophobicContact CB-CG1 4.13Å; F61-V66 HydrophobicContact CB-CG2 3.76Å; F61-V66 HydrophobicContact CD1-CG1 4.43Å; F61-V66 PolarHBondContact O-N 3.01Å; Q64-V66 HydrophobicContact CB-CG1 4.32Å; V66-A68 WeakPolarHBondContact CG2-O 3.43Å; V66-I69 HydrophobicContact CG2-CD1 4.15Å; V66-I69 HydrophobicContact CG2-CG1 3.58Å; V66-I91 HydrophobicContact CG2-CG2 4.21Å; V66-I91 WeakPolarHBondContact O-CD1 3.49Å; V66-I91 WeakPolarHBondContact O-CG1 3.3Å
67	D	96.9	Very high	95.7	Very high	78 Å²	78	35 Å²	35	42%	0.417	21%	0.213	S	C	.	.	S	Bend	trans	-76.7	-23.9	-176.5	-58	-76.3	0	0	0	113.6	L10 T11 P92	L10-D67 WeakPolarHBondContact CA-OD2 3.32Å; L10-D67 HydrophobicContact CD2-CB 3.86Å; T11-D67 PolarHBondContact N-OD2 3.48Å; T11-D67 PolarHBondContact O-N 3.19Å; D67-P92 VanDerWaalsContact O-CD 3.26Å; D67-P92 WeakPolarHBondContact O-CD 3.41Å; D67-P92 WeakPolarHBondContact O-CG 3.28Å
68	A	97.2	Very high	95.6	Very high	13 Å²	13	36.8 Å²	36.8	11%	0.107	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	159.7	174.5	0	0	0	0	0	111.3	V12 G13 V66 P92 F94	V12-A68 WeakPolarHBondContact CA-O 3.32Å; V12-A68 HydrophobicContact CG1-CB 4.36Å; V12-A68 HydrophobicContact CG2-CB 4.28Å; G13-A68 PolarHBondContact N-O 2.81Å; V66-A68 WeakPolarHBondContact CG2-O 3.43Å; A68-P92 WeakPolarHBondContact CA-O 3.16Å; A68-P92 HydrophobicContact CB-CG 4.03Å; A68-F94 HydrophobicContact CB-CE2 4.37Å
69	I	97.9	Very high	95.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.4	176.5	-61.1	171.1	0	0	0	110.4	G13 V58 F61 V62 V66 I71 I91 P92 V93 F94	G13-I69 CarbonylContact O-C 3.49Å; G13-I69 WeakPolarHBondContact O-CA 3.5Å; V58-I69 HydrophobicContact CG1-CD1 4.03Å; V58-I69 HydrophobicContact CG1-CG2 4.42Å; V58-I69 HydrophobicContact CG2-CG2 4.27Å; F61-I69 HydrophobicContact CB-CD1 3.81Å; F61-I69 HydrophobicContact CB-CG1 4.02Å; F61-I69 HydrophobicContact CD2-CG2 4.3Å; V62-I69 HydrophobicContact CG2-CD1 3.81Å; V66-I69 HydrophobicContact CG2-CD1 4.15Å; V66-I69 HydrophobicContact CG2-CG1 3.58Å; I69-I71 HydrophobicContact CG2-CD1 4.34Å; I69-I71 HydrophobicContact CG2-CG1 3.84Å; I69-I91 HydrophobicContact CD1-CG2 3.89Å; I69-I91 HydrophobicContact CG1-CG2 3.79Å; I69-P92 PolarHBondContact N-O 3.42Å; I69-V93 HydrophobicContact CB-CG2 4.37Å; I69-V93 CarbonylContact O-C 3.58Å; I69-V93 VanDerWaalsContact O-CA 3.3Å; I69-V93 WeakPolarHBondContact O-CA 3.5Å; I69-F94 PolarHBondContact O-N 2.9Å
70	F	96.5	Very high	95.4	Very high	61 Å²	61	34.2 Å²	34.2	27%	0.268	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.8	164.4	-70.1	-66.5	0	0	0	110.7	V12 G13 F14 S15 F94 L96	V12-F70 HydrophobicContact CG1-CD2 3.45Å; V12-F70 VanDerWaalsContact CG1-CD2 3.45Å; V12-F70 HydrophobicContact CG1-CE2 3.64Å; G13-F70 PolarHBondContact O-N 2.9Å; F14-F70 WeakPolarHBondContact CA-O 3.32Å; F14-F70 HydrophobicContact CB-CB 4.29Å; F14-F70 HydrophobicContact CD2-CB 3.58Å; F14-F70 HydrophobicContact CE2-CB 4.27Å; F14-F70 HydrophobicContact CG-CB 4.21Å; S15-F70 PolarHBondContact N-O 3.37Å; F70-F94 CarbonylContact C-O 3.58Å; F70-F94 VanDerWaalsContact CA-O 3.32Å; F70-F94 WeakPolarHBondContact CA-O 3.44Å; F70-F94 HydrophobicContact CD1-CB 3.38Å; F70-F94 HydrophobicContact CD1-CG 4.24Å; F70-F94 HydrophobicContact CE1-CB 3.38Å; F70-F94 HydrophobicContact CE1-CD2 4.13Å; F70-F94 AromaticContact CE1-CG 3.81Å; F70-F94 HydrophobicContact CE1-CG 3.81Å; F70-L96 HydrophobicContact CB-CD1 3.74Å; F70-L96 HydrophobicContact CB-CG 4.18Å; F70-L96 HydrophobicContact CD1-CD1 3.59Å; F70-L96 HydrophobicContact CD1-CD2 3.76Å; F70-L96 HydrophobicContact CD1-CG 3.6Å; F70-L96 HydrophobicContact CE1-CD1 4.34Å; F70-L96 HydrophobicContact CE1-CD2 4.02Å; F70-L96 HydrophobicContact CE1-CG 4.36Å; F70-L96 HydrophobicContact CG-CD1 3.71Å; F70-L96 HydrophobicContact CG-CG 4.16Å
71	I	95.9	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.6	176.2	-52.8	178.8	0	0	0	109.3	V58 I69 P73 W79 L83 V93 F94 L95 L96 I100	V58-I71 HydrophobicContact CG2-CD1 3.81Å; V58-I71 HydrophobicContact CG2-CG1 4.08Å; I69-I71 HydrophobicContact CG2-CD1 4.34Å; I69-I71 HydrophobicContact CG2-CG1 3.84Å; I71-P73 HydrophobicContact CG2-CB 4.37Å; I71-P73 WeakPolarHBondContact O-CD 3.28Å; I71-W79 HydrophobicContact CD1-CE3 4.19Å; I71-W79 HydrophobicContact CD1-CZ3 4.01Å; I71-W79 HydrophobicContact CG2-CE3 4.24Å; I71-W79 HydrophobicContact CG2-CH2 3.43Å; I71-W79 VanDerWaalsContact CG2-CH2 3.43Å; I71-W79 HydrophobicContact CG2-CZ2 4.13Å; I71-W79 HydrophobicContact CG2-CZ3 3.51Å; I71-L83 HydrophobicContact CD1-CD2 3.88Å; I71-V93 HydrophobicContact CD1-CG1 3.57Å; I71-V93 HydrophobicContact CG1-CG1 3.97Å; I71-F94 PolarHBondContact N-O 2.99Å; I71-L95 HydrophobicContact CB-CD2 4.06Å; I71-L95 WeakPolarHBondContact O-CA 3.49Å; I71-L96 PolarHBondContact O-N 3.4Å; I71-I100 HydrophobicContact CG2-CD1 4.44Å
72	A	92.6	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.228	C	C	.	.			trans	-102.6	94.5	161.7	0	0	0	0	0	108.1	F14 S15 V17 Q54 V74 L96	F14-A72 HydrophobicContact CE2-CB 4.15Å; F14-A72 HydrophobicContact CZ-CB 4.48Å; S15-A72 PolarHBondContact O-N 2.91Å; V17-A72 HydrophobicContact CG2-CB 4.1Å; V17-A72 WeakPolarHBondContact CG2-O 3.36Å; Q54-A72 PolarHBondContact NE2-O 2.94Å; A72-V74 PolarHBondContact O-N 2.93Å; A72-L96 WeakPolarHBondContact CA-O 3.42Å
73	P	92.9	Very high	95.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	22%	0.221	C	C	.	.			trans	-69.6	132.6	-169.1	27.7	-39.5	0	0	0	113.5	I71 W79 R98 I100	I71-P73 HydrophobicContact CG2-CB 4.37Å; I71-P73 WeakPolarHBondContact O-CD 3.28Å; P73-W79 HydrophobicContact CB-CH2 4.33Å; P73-W79 HydrophobicContact CB-CZ2 3.46Å; P73-W79 VanDerWaalsContact CB-CZ2 3.46Å; P73-R98 WeakPolarHBondContact CD-O 3.44Å; P73-R98 HydrophobicContact CG-CB 3.62Å; P73-R98 WeakPolarHBondContact O-CD 3.27Å; P73-I100 HydrophobicContact CB-CD1 4.26Å; P73-I100 HydrophobicContact CB-CG1 3.79Å; P73-I100 HydrophobicContact CG-CD1 4.42Å; P73-I100 HydrophobicContact CG-CG1 3.67Å
74	V	90.8	Very high	95.4	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.03	21%	0.205	C	C	.	.	S	Bend	trans	-60.4	-47	171.7	175.1	0	0	0	0	110.5	V17 Q54 A72 T144 A147	V17-V74 HydrophobicContact CB-CG2 4.29Å; V17-V74 HydrophobicContact CG1-CG2 3.84Å; V17-V74 HydrophobicContact CG2-CG2 4.26Å; Q54-V74 VanDerWaalsContact CD-CG2 3.46Å; Q54-V74 HydrophobicContact CG-CG2 4.24Å; A72-V74 PolarHBondContact O-N 2.93Å; V74-T144 HydrophobicContact CG1-CG2 4.33Å; V74-A147 WeakPolarHBondContact O-CB 3.33Å
75	V	92.7	Very high	95.5	Very high	29 Å²	29	32.8 Å²	32.8	18%	0.176	20%	0.2	C	C	.	.	S	Bend	trans	-127.2	150.2	177	-63.3	0	0	0	0	110.7	Q51 W79 G146	Q51-V75 HydrophobicContact CB-CG2 4.1Å; Q51-V75 HydrophobicContact CG-CG2 4.08Å; V75-W79 PolarHBondContact O-NE1 3.44Å; V75-G146 CarbonylContact C-O 3.53Å; V75-G146 WeakPolarHBondContact CA-O 3.3Å
76	A	93.5	Very high	95.7	Very high	10 Å²	10	30.2 Å²	30.2	8%	0.083	17%	0.173	C	C	.	.	S	Bend	trans	-71.6	-30.7	-173.8	0	0	0	0	0	114	I100 D101 G146	A76-I100 CarbonylContact O-C 3.54Å; A76-I100 WeakPolarHBondContact O-CA 3.44Å; A76-I100 VanDerWaalsContact O-CG2 3.24Å; A76-I100 WeakPolarHBondContact O-CG2 3.38Å; A76-D101 HydrophobicContact CB-CB 4.42Å; A76-D101 PolarHBondContact O-N 3.47Å; A76-G146 PolarHBondContact N-O 3.18Å
77	T	94.6	Very high	95.6	Very high	83 Å²	83	34.1 Å²	34.1	51%	0.509	19%	0.19	S	C	.	.	S	Bend	trans	-101.2	162.3	-172.2	55.8	0	0	0	0	112.7	Q51 D101	Q51-T77 PolarHBondContact NE2-O 3.29Å; T77-D101 HydrophobicContact CG2-CB 4.31Å
78	G	94.1	Very high	95.6	Very high	48 Å²	48	36.8 Å²	36.8	50%	0.495	20%	0.204	S	C	.	.	S	Bend	trans	94.8	8.8	170.5	0	0	0	0	0	115.7
79	W	96.7	Very high	95.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.218	C	C	.	.			trans	-94.3	-12.9	-176	-65.2	88.6	0	0	0	114.7	Q51 Q54 I55 V58 I71 P73 V75 P81 V82 L83 I100	Q51-W79 HydrophobicContact CG-CZ2 4.11Å; Q51-W79 VanDerWaalsContact NE2-NE1 3.16Å; Q54-W79 HydrophobicContact CB-CH2 3.57Å; Q54-W79 HydrophobicContact CB-CZ2 4.44Å; Q54-W79 HydrophobicContact CB-CZ3 4.24Å; Q54-W79 HydrophobicContact CG-CH2 4.37Å; I55-W79 HydrophobicContact CG1-CE3 4.37Å; I55-W79 HydrophobicContact CG1-CZ3 4.35Å; V58-W79 HydrophobicContact CG2-CZ3 4.33Å; I71-W79 HydrophobicContact CD1-CE3 4.19Å; I71-W79 HydrophobicContact CD1-CZ3 4.01Å; I71-W79 HydrophobicContact CG2-CE3 4.24Å; I71-W79 HydrophobicContact CG2-CH2 3.43Å; I71-W79 VanDerWaalsContact CG2-CH2 3.43Å; I71-W79 HydrophobicContact CG2-CZ2 4.13Å; I71-W79 HydrophobicContact CG2-CZ3 3.51Å; P73-W79 HydrophobicContact CB-CH2 4.33Å; P73-W79 HydrophobicContact CB-CZ2 3.46Å; P73-W79 VanDerWaalsContact CB-CZ2 3.46Å; V75-W79 PolarHBondContact O-NE1 3.44Å; W79-P81 VanDerWaalsContact C-CD 3.48Å; W79-V82 HydrophobicContact CE3-CG1 3.95Å; W79-V82 WeakPolarHBondContact O-CG1 3.37Å; W79-V82 PolarHBondContact O-N 3.23Å; W79-L83 HydrophobicContact CB-CD1 3.89Å; W79-L83 HydrophobicContact CB-CG 4.15Å; W79-L83 WeakPolarHBondContact O-CG 3.16Å; W79-L83 PolarHBondContact O-N 2.78Å; W79-I100 HydrophobicContact CB-CD1 3.89Å; W79-I100 HydrophobicContact CB-CG2 3.66Å; W79-I100 HydrophobicContact CD2-CD1 3.64Å; W79-I100 HydrophobicContact CD2-CG1 4.42Å; W79-I100 HydrophobicContact CE3-CD1 4.1Å; W79-I100 HydrophobicContact CG-CD1 3.54Å; W79-I100 HydrophobicContact CG-CG1 4.1Å; W79-I100 HydrophobicContact CG-CG2 3.82Å
80	E	96	Very high	95.5	Very high	58 Å²	58	47 Å²	47	27%	0.271	26%	0.257	S	S	.	.	H	α-helix	trans	-50.6	-45.1	-174.2	-70.2	-173.4	170.6	0	0	114.5	K84 V102 K103 L107	E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.32Å; E80-K84 PolarHBondContact O-N 3.38Å; E80-V102 HydrophobicContact CB-CG1 4.47Å; E80-V102 HydrophobicContact CG-CB 3.86Å; E80-V102 HydrophobicContact CG-CG1 3.46Å; E80-V102 VanDerWaalsContact CG-CG1 3.46Å; E80-K103 PolarHBondContact OE1-N 2.84Å; E80-L107 HydrophobicContact CB-CD1 4.43Å; E80-L107 HydrophobicContact CG-CD1 4.3Å
81	P	96.8	Very high	95.6	Very high	75 Å²	75	44.7 Å²	44.7	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-46.3	-178.7	-23.2	35.1	0	0	0	112.9	W79 K84 E85	W79-P81 VanDerWaalsContact C-CD 3.48Å; P81-K84 WeakPolarHBondContact O-CB 3.45Å; P81-K84 PolarHBondContact O-N 3.08Å; P81-E85 WeakPolarHBondContact O-CG 3.45Å; P81-E85 PolarHBondContact O-N 3.31Å
82	V	97.1	Very high	95.7	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-74.9	-30.3	-175.7	74.6	0	0	0	0	112.3	I55 V58 R59 W79 E85 A86	I55-V82 HydrophobicContact CG1-CG1 4.29Å; I55-V82 HydrophobicContact CG2-CB 4.18Å; I55-V82 HydrophobicContact CG2-CG1 4.49Å; I55-V82 HydrophobicContact CG2-CG2 4.25Å; V58-V82 HydrophobicContact CB-CG2 3.8Å; V58-V82 HydrophobicContact CG1-CG1 4.47Å; V58-V82 HydrophobicContact CG1-CG2 3.51Å; R59-V82 HydrophobicContact CG-CG2 3.76Å; W79-V82 HydrophobicContact CE3-CG1 3.95Å; W79-V82 WeakPolarHBondContact O-CG1 3.37Å; W79-V82 PolarHBondContact O-N 3.23Å; V82-E85 PolarHBondContact O-N 3.39Å; V82-A86 PolarHBondContact O-N 3.08Å
83	L	97.6	Very high	95.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.5	-33.3	173.2	-63.4	175.9	0	0	0	111.9	I71 W79 A86 K87 V93 I100 V102 L107 Y108	I71-L83 HydrophobicContact CD1-CD2 3.88Å; W79-L83 HydrophobicContact CB-CD1 3.89Å; W79-L83 HydrophobicContact CB-CG 4.15Å; W79-L83 WeakPolarHBondContact O-CG 3.16Å; W79-L83 PolarHBondContact O-N 2.78Å; L83-A86 PolarHBondContact O-N 2.96Å; L83-K87 WeakPolarHBondContact O-CB 3.3Å; L83-K87 PolarHBondContact O-N 3.34Å; L83-V93 HydrophobicContact CD2-CB 4.2Å; L83-V93 HydrophobicContact CD2-CG1 3.71Å; L83-V93 HydrophobicContact CD2-CG2 4.1Å; L83-I100 HydrophobicContact CD1-CD1 4.25Å; L83-I100 HydrophobicContact CD1-CG2 4.37Å; L83-V102 HydrophobicContact CD1-CG1 4.06Å; L83-L107 HydrophobicContact CB-CB 3.87Å; L83-L107 HydrophobicContact CB-CD1 4.32Å; L83-L107 HydrophobicContact CD1-CB 4.16Å; L83-Y108 HydrophobicContact CD1-CD1 4.47Å
84	K	97.5	Very high	96.1	Very high	99 Å²	99	49.5 Å²	49.5	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-46.2	169.9	-74.6	172.1	-178.1	176.5	0	111.2	E80 P81 A86 K87 D88 L107	E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.32Å; E80-K84 PolarHBondContact O-N 3.38Å; P81-K84 WeakPolarHBondContact O-CB 3.45Å; P81-K84 PolarHBondContact O-N 3.08Å; K84-A86 VanDerWaalsContact C-N 3.3Å; K84-A86 PolarHBondContact O-N 3.13Å; K84-K87 PolarHBondContact O-N 3.41Å; K84-K87 VanDerWaalsContact O-N 3.16Å; K84-D88 WeakPolarHBondContact O-CB 3.11Å; K84-D88 PolarHBondContact O-N 3.09Å; K84-L107 HydrophobicContact CG-CD1 4.37Å; K84-L107 HydrophobicContact CG-CD2 3.63Å
85	E	97.6	Very high	96.3	Very high	68 Å²	68	49.2 Å²	49.2	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-56.2	-43	175.2	-68.4	168.4	-140.7	0	0	111.8	R59 P81 V82 A89	R59-E85 WeakPolarHBondContact CG-OE2 3.47Å; R59-E85 IonicContact CZ-OE1 2.8Å; R59-E85 IonicContact CZ-OE2 2.84Å; R59-E85 IonicContact NE-OE1 3.23Å; R59-E85 PolarHBondContact NE-OE1 3.23Å; R59-E85 IonicContact NE-OE2 3.66Å; R59-E85 PolarHBondContact NE-OE2 3.47Å; R59-E85 IonicContact NH2-OE1 3.31Å; R59-E85 PolarHBondContact NH2-OE1 3.29Å; R59-E85 IonicContact NH2-OE2 3.83Å; P81-E85 WeakPolarHBondContact O-CG 3.45Å; P81-E85 PolarHBondContact O-N 3.31Å; V82-E85 PolarHBondContact O-N 3.39Å; E85-A89 WeakPolarHBondContact O-CB 3.36Å; E85-A89 PolarHBondContact O-N 2.76Å
86	A	97.5	Very high	96.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-41.7	176.3	0	0	0	0	0	112.8	V62 V82 L83 K84 A89 E90 I91 V93	V62-A86 HydrophobicContact CG2-CB 3.81Å; V82-A86 PolarHBondContact O-N 3.08Å; L83-A86 PolarHBondContact O-N 2.96Å; K84-A86 VanDerWaalsContact C-N 3.3Å; K84-A86 PolarHBondContact O-N 3.13Å; A86-A89 CarbonylContact O-C 3.55Å; A86-A89 PolarHBondContact O-N 2.69Å; A86-E90 PolarHBondContact O-N 3.15Å; A86-I91 PolarHBondContact O-N 2.79Å; A86-V93 HydrophobicContact CB-CG2 3.72Å
87	K	96.4	Very high	95.9	Very high	86 Å²	86	49.8 Å²	49.8	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-41.4	177.5	-176.3	174.9	179.7	173.9	0	112.5	L83 K84 A89 E90 D104 S106 L107	L83-K87 WeakPolarHBondContact O-CB 3.3Å; L83-K87 PolarHBondContact O-N 3.34Å; K84-K87 PolarHBondContact O-N 3.41Å; K84-K87 VanDerWaalsContact O-N 3.16Å; K87-A89 PolarHBondContact O-N 3.12Å; K87-E90 WeakPolarHBondContact O-CA 3.5Å; K87-E90 PolarHBondContact O-N 2.84Å; K87-D104 IonicContact NZ-OD2 2.71Å; K87-S106 PolarHBondContact NZ-O 3.27Å; K87-S106 VanDerWaalsContact NZ-O 3.13Å; K87-S106 PolarHBondContact NZ-OG 2.96Å; K87-L107 HydrophobicContact CD-CD2 3.89Å
88	D	96.6	Very high	95.7	Very high	135 Å²	135	46.1 Å²	46.1	72%	0.722	25%	0.249	S	C	*	.	H	α-helix	trans	-65.3	-28.5	176.3	-68.4	-18	0	0	0	111.5	K84 E90	K84-D88 WeakPolarHBondContact O-CB 3.11Å; K84-D88 PolarHBondContact O-N 3.09Å; D88-E90 VanDerWaalsContact C-N 3.25Å
89	A	96.9	Very high	95.6	Very high	47 Å²	47	45.3 Å²	45.3	39%	0.388	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	4.6	171	0	0	0	0	0	113.7	V62 E85 A86 K87 I91	V62-A89 HydrophobicContact CG1-CB 3.73Å; E85-A89 WeakPolarHBondContact O-CB 3.36Å; E85-A89 PolarHBondContact O-N 2.76Å; A86-A89 CarbonylContact O-C 3.55Å; A86-A89 PolarHBondContact O-N 2.69Å; K87-A89 PolarHBondContact O-N 3.12Å; A89-I91 HydrophobicContact CB-CD1 4.04Å; A89-I91 HydrophobicContact CB-CG1 4.14Å; A89-I91 PolarHBondContact O-N 3.45Å
90	E	96.5	Very high	95.5	Very high	179 Å²	179	45.5 Å²	45.5	84%	0.836	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	25.4	-176.9	-55.8	-174.8	164.2	0	0	114.5	A86 K87 D88 P92	A86-E90 PolarHBondContact O-N 3.15Å; K87-E90 WeakPolarHBondContact O-CA 3.5Å; K87-E90 PolarHBondContact O-N 2.84Å; D88-E90 VanDerWaalsContact C-N 3.25Å; E90-P92 WeakPolarHBondContact O-CD 3.39Å
91	I	97.5	Very high	95.3	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.072	25%	0.25	C	C	.	.			trans	-93.9	116.5	179.7	-59.3	172.3	0	0	0	109.7	V62 V66 I69 A86 A89 V93	V62-I91 HydrophobicContact CB-CD1 4.36Å; V62-I91 HydrophobicContact CG1-CD1 4.4Å; V62-I91 HydrophobicContact CG2-CD1 4.29Å; V66-I91 HydrophobicContact CG2-CG2 4.21Å; V66-I91 WeakPolarHBondContact O-CD1 3.49Å; V66-I91 WeakPolarHBondContact O-CG1 3.3Å; I69-I91 HydrophobicContact CD1-CG2 3.89Å; I69-I91 HydrophobicContact CG1-CG2 3.79Å; A86-I91 PolarHBondContact O-N 2.79Å; A89-I91 HydrophobicContact CB-CD1 4.04Å; A89-I91 HydrophobicContact CB-CG1 4.14Å; A89-I91 PolarHBondContact O-N 3.45Å; I91-V93 PolarHBondContact O-N 3.18Å
92	P	97.1	Very high	95.1	Very high	41 Å²	41	44.2 Å²	44.2	27%	0.266	23%	0.228	S	C	.	.			trans	-67.9	132.3	179.1	28.1	-34.8	0	0	0	111.6	D67 A68 I69 E90 F94 M109	D67-P92 VanDerWaalsContact O-CD 3.26Å; D67-P92 WeakPolarHBondContact O-CD 3.41Å; D67-P92 WeakPolarHBondContact O-CG 3.28Å; A68-P92 WeakPolarHBondContact CA-O 3.16Å; A68-P92 HydrophobicContact CB-CG 4.03Å; I69-P92 PolarHBondContact N-O 3.42Å; E90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-F94 HydrophobicContact CB-CE2 3.82Å; P92-F94 HydrophobicContact CB-CZ 4.37Å; P92-F94 HydrophobicContact CG-CE2 4.23Å; P92-M109 HydrophobicContact CB-CG 3.63Å; P92-M109 HydrophobicContact CB-SD 4.27Å
93	V	97.9	Very high	94.7	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.2	177.5	-177.6	0	0	0	0	110.6	I69 I71 L83 A86 I91 L95 Y108 M109	I69-V93 HydrophobicContact CB-CG2 4.37Å; I69-V93 CarbonylContact O-C 3.58Å; I69-V93 VanDerWaalsContact O-CA 3.3Å; I69-V93 WeakPolarHBondContact O-CA 3.5Å; I71-V93 HydrophobicContact CD1-CG1 3.57Å; I71-V93 HydrophobicContact CG1-CG1 3.97Å; L83-V93 HydrophobicContact CD2-CB 4.2Å; L83-V93 HydrophobicContact CD2-CG1 3.71Å; L83-V93 HydrophobicContact CD2-CG2 4.1Å; A86-V93 HydrophobicContact CB-CG2 3.72Å; I91-V93 PolarHBondContact O-N 3.18Å; V93-L95 HydrophobicContact CG1-CD2 4.26Å; V93-Y108 CarbonylContact O-C 3.02Å; V93-Y108 WeakPolarHBondContact O-CB 3.21Å; V93-M109 WeakPolarHBondContact O-CB 3.46Å; V93-M109 PolarHBondContact O-N 3.2Å
94	F	96.9	Very high	94.5	Very high	57 Å²	57	56.4 Å²	56.4	25%	0.25	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.6	177.5	-64.1	-94.1	0	0	0	109.7	A68 I69 F70 I71 P92 M109 T110	A68-F94 HydrophobicContact CB-CE2 4.37Å; I69-F94 PolarHBondContact O-N 2.9Å; F70-F94 CarbonylContact C-O 3.58Å; F70-F94 VanDerWaalsContact CA-O 3.32Å; F70-F94 WeakPolarHBondContact CA-O 3.44Å; F70-F94 HydrophobicContact CD1-CB 3.38Å; F70-F94 HydrophobicContact CD1-CG 4.24Å; F70-F94 HydrophobicContact CE1-CB 3.38Å; F70-F94 HydrophobicContact CE1-CD2 4.13Å; F70-F94 AromaticContact CE1-CG 3.81Å; F70-F94 HydrophobicContact CE1-CG 3.81Å; I71-F94 PolarHBondContact N-O 2.99Å; P92-F94 HydrophobicContact CB-CE2 3.82Å; P92-F94 HydrophobicContact CB-CZ 4.37Å; P92-F94 HydrophobicContact CG-CE2 4.23Å; F94-M109 HydrophobicContact CD1-CB 3.98Å; F94-M109 HydrophobicContact CE1-CB 3.65Å; F94-M109 HydrophobicContact CE1-CG 4.21Å; F94-M109 HydrophobicContact CE2-CB 4.5Å; F94-M109 HydrophobicContact CE2-CG 4.28Å; F94-M109 HydrophobicContact CZ-CB 3.94Å; F94-M109 HydrophobicContact CZ-CG 3.96Å; F94-T110 HydrophobicContact CD1-CG2 3.69Å; F94-T110 HydrophobicContact CE1-CG2 4.09Å
95	L	95	Very high	94.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.2	178.3	-51	-176.1	0	0	0	109.6	I71 V93 I100 Y108 T110 T111 V112	I71-L95 HydrophobicContact CB-CD2 4.06Å; I71-L95 WeakPolarHBondContact O-CA 3.49Å; V93-L95 HydrophobicContact CG1-CD2 4.26Å; L95-I100 HydrophobicContact CD1-CB 3.73Å; L95-I100 HydrophobicContact CD1-CD1 4.1Å; L95-I100 HydrophobicContact CD1-CG1 3.78Å; L95-I100 HydrophobicContact CD2-CD1 3.43Å; L95-I100 VanDerWaalsContact CD2-CD1 3.43Å; L95-I100 HydrophobicContact CD2-CG1 3.95Å; L95-I100 HydrophobicContact CG-CD1 4.43Å; L95-Y108 HydrophobicContact CD1-CD1 3.96Å; L95-Y108 HydrophobicContact CD1-CD2 3.81Å; L95-Y108 HydrophobicContact CD1-CE1 3.91Å; L95-Y108 HydrophobicContact CD1-CE2 3.77Å; L95-Y108 HydrophobicContact CD1-CG 3.91Å; L95-Y108 HydrophobicContact CG-CD2 3.93Å; L95-Y108 HydrophobicContact CG-CE2 4.33Å; L95-Y108 HydrophobicContact CG-CG 4.03Å; L95-T110 PolarHBondContact N-O 3Å; L95-T111 HydrophobicContact CB-CG2 3.96Å; L95-T111 WeakPolarHBondContact O-CA 3.34Å; L95-V112 PolarHBondContact O-N 3.44Å
96	L	91.7	Very high	93.9	Very high	33 Å²	33	56.8 Å²	56.8	17%	0.173	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.6	-179.6	-61.7	-176.4	0	0	0	110.2	F14 F70 I71 A72 R98 V112	F14-L96 HydrophobicContact CE2-CD1 4.1Å; F14-L96 HydrophobicContact CZ-CD1 4.42Å; F70-L96 HydrophobicContact CB-CD1 3.74Å; F70-L96 HydrophobicContact CB-CG 4.18Å; F70-L96 HydrophobicContact CD1-CD1 3.59Å; F70-L96 HydrophobicContact CD1-CD2 3.76Å; F70-L96 HydrophobicContact CD1-CG 3.6Å; F70-L96 HydrophobicContact CE1-CD1 4.34Å; F70-L96 HydrophobicContact CE1-CD2 4.02Å; F70-L96 HydrophobicContact CE1-CG 4.36Å; F70-L96 HydrophobicContact CG-CD1 3.71Å; F70-L96 HydrophobicContact CG-CG 4.16Å; I71-L96 PolarHBondContact O-N 3.4Å; A72-L96 WeakPolarHBondContact CA-O 3.42Å; L96-R98 PolarHBondContact O-N 3.11Å; L96-V112 CarbonylContact C-O 3.58Å; L96-V112 HydrophobicContact CD2-CB 4.01Å; L96-V112 HydrophobicContact CD2-CG2 4.36Å
97	D	86.9	Confident	93.8	Very high	18 Å²	18	57.1 Å²	57.1	10%	0.096	30%	0.295	C	S	.	.	S	Bend	trans	63.8	-37.5	175.1	-175.7	75.3	0	0	0	115.2	W23 R24 V112 T113	W23-D97 PolarHBondContact NE1-OD1 3.45Å; R24-D97 IonicContact CZ-OD2 2.92Å; R24-D97 IonicContact NH1-OD2 3.52Å; R24-D97 PolarHBondContact NH1-OD2 2.81Å; R24-D97 IonicContact NH2-OD2 3.7Å; R24-D97 PolarHBondContact NH2-OD2 3.28Å; D97-V112 PolarHBondContact N-O 2.98Å; D97-T113 WeakPolarHBondContact O-CB 3.38Å; D97-T113 PolarHBondContact O-OG1 2.95Å
98	R	90.5	Very high	93.8	Very high	5 Å²	5	54.5 Å²	54.5	2%	0.019	28%	0.283	C	S	.	.	S	Bend	trans	-125.2	149	-179.8	-59.8	-177.8	178.9	169.1	17	110.7	E20 R24 P73 L96 S148 V149	E20-R98 IonicContact OE1-NH2 3.41Å; E20-R98 PolarHBondContact OE1-NH2 2.87Å; R24-R98 VanDerWaalsContact NH2-CD 3.33Å; R24-R98 VanDerWaalsContact NH2-CZ 3.27Å; P73-R98 WeakPolarHBondContact CD-O 3.44Å; P73-R98 HydrophobicContact CG-CB 3.62Å; P73-R98 WeakPolarHBondContact O-CD 3.27Å; L96-R98 PolarHBondContact O-N 3.11Å; R98-S148 WeakPolarHBondContact CA-OG 3.27Å; R98-V149 HydrophobicContact CG-CG1 3.81Å; R98-V149 HydrophobicContact CG-CG2 3.94Å
99	S	91.8	Very high	93.7	Very high	32 Å²	32	54 Å²	54	22%	0.224	28%	0.278	C	S	.	.			trans	-97.9	154	-178.3	-58	0	0	0	0	111.2	S148	S99-S148 PolarHBondContact N-OG 2.92Å
100	I	94	Very high	93.5	Very high	4 Å²	4	55 Å²	55	2%	0.021	28%	0.279	C	S	.	.			trans	-108.5	138.6	171	-63.5	178.9	0	0	0	108.9	I71 P73 A76 W79 L83 L95 V102 K105	I71-I100 HydrophobicContact CG2-CD1 4.44Å; P73-I100 HydrophobicContact CB-CD1 4.26Å; P73-I100 HydrophobicContact CB-CG1 3.79Å; P73-I100 HydrophobicContact CG-CD1 4.42Å; P73-I100 HydrophobicContact CG-CG1 3.67Å; A76-I100 CarbonylContact O-C 3.54Å; A76-I100 WeakPolarHBondContact O-CA 3.44Å; A76-I100 VanDerWaalsContact O-CG2 3.24Å; A76-I100 WeakPolarHBondContact O-CG2 3.38Å; W79-I100 HydrophobicContact CB-CD1 3.89Å; W79-I100 HydrophobicContact CB-CG2 3.66Å; W79-I100 HydrophobicContact CD2-CD1 3.64Å; W79-I100 HydrophobicContact CD2-CG1 4.42Å; W79-I100 HydrophobicContact CE3-CD1 4.1Å; W79-I100 HydrophobicContact CG-CD1 3.54Å; W79-I100 HydrophobicContact CG-CG1 4.1Å; W79-I100 HydrophobicContact CG-CG2 3.82Å; L83-I100 HydrophobicContact CD1-CD1 4.25Å; L83-I100 HydrophobicContact CD1-CG2 4.37Å; L95-I100 HydrophobicContact CD1-CB 3.73Å; L95-I100 HydrophobicContact CD1-CD1 4.1Å; L95-I100 HydrophobicContact CD1-CG1 3.78Å; L95-I100 HydrophobicContact CD2-CD1 3.43Å; L95-I100 VanDerWaalsContact CD2-CD1 3.43Å; L95-I100 HydrophobicContact CD2-CG1 3.95Å; L95-I100 HydrophobicContact CG-CD1 4.43Å; I100-V102 HydrophobicContact CG2-CG1 3.65Å; I100-K105 PolarHBondContact O-NZ 3.29Å
101	D	91.7	Very high	93.2	Very high	101 Å²	101	48.3 Å²	48.3	54%	0.54	25%	0.25	S	S	.	.			trans	-95.5	112.5	168.9	-168.6	23.4	0	0	0	110.8	A76 T77	A76-D101 HydrophobicContact CB-CB 4.42Å; A76-D101 PolarHBondContact O-N 3.47Å; T77-D101 HydrophobicContact CG2-CB 4.31Å
102	V	91.8	Very high	92.8	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.03	27%	0.272	C	S	.	.			trans	-139.9	149.8	177.8	-70	0	0	0	0	108.6	E80 L83 I100 D104 K105 L107 Y108	E80-V102 HydrophobicContact CB-CG1 4.47Å; E80-V102 HydrophobicContact CG-CB 3.86Å; E80-V102 HydrophobicContact CG-CG1 3.46Å; E80-V102 VanDerWaalsContact CG-CG1 3.46Å; L83-V102 HydrophobicContact CD1-CG1 4.06Å; I100-V102 HydrophobicContact CG2-CG1 3.65Å; V102-D104 VanDerWaalsContact CG2-O 3.25Å; V102-D104 WeakPolarHBondContact CG2-O 3.31Å; V102-K105 HydrophobicContact CG2-CD 4.31Å; V102-K105 WeakPolarHBondContact O-CE 3.35Å; V102-L107 HydrophobicContact CB-CD1 4.4Å; V102-L107 HydrophobicContact CG1-CD1 4.44Å; V102-Y108 HydrophobicContact CG2-CD1 4.28Å; V102-Y108 HydrophobicContact CG2-CE1 3.77Å
103	K	90.1	Very high	92.2	Very high	193 Å²	193	52.4 Å²	52.4	84%	0.839	28%	0.275	S	S	*	.	S	Bend	trans	-69.1	-41.7	177.2	-66.1	176	-179.1	176.1	0	112.1	E80	E80-K103 PolarHBondContact OE1-N 2.84Å
104	D	92.6	Very high	91.5	Very high	65 Å²	65	54.1 Å²	54.1	35%	0.348	29%	0.29	S	S	.	.			trans	-94.8	101	176.5	179.6	10.4	0	0	0	110.1	K87 V102 S106 L107	K87-D104 IonicContact NZ-OD2 2.71Å; V102-D104 VanDerWaalsContact CG2-O 3.25Å; V102-D104 WeakPolarHBondContact CG2-O 3.31Å; D104-S106 PolarHBondContact O-N 3.35Å; D104-S106 VanDerWaalsContact OD1-CB 3.3Å; D104-S106 WeakPolarHBondContact OD1-CB 3.4Å; D104-S106 PolarHBondContact OD1-N 3.21Å; D104-S106 PolarHBondContact OD1-OG 3.04Å; D104-S106 PolarHBondContact OD2-OG 3.02Å; D104-S106 VanDerWaalsContact OD2-OG 3.13Å; D104-L107 HydrophobicContact CB-CD1 4.1Å; D104-L107 HydrophobicContact CB-CG 3.94Å; D104-L107 WeakPolarHBondContact O-CB 3.48Å; D104-L107 VanDerWaalsContact O-CG 3.26Å; D104-L107 WeakPolarHBondContact O-CG 3.33Å; D104-L107 PolarHBondContact O-N 3.34Å
105	K	89.7	Confident	91.1	Very high	105 Å²	105	56 Å²	56	46%	0.457	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-70.4	-10.8	178.4	-64.6	-67.4	178.5	-176.3	0	113.5	I100 V102 L107 Y108	I100-K105 PolarHBondContact O-NZ 3.29Å; V102-K105 HydrophobicContact CG2-CD 4.31Å; V102-K105 WeakPolarHBondContact O-CE 3.35Å; K105-L107 PolarHBondContact O-N 3.35Å; K105-Y108 HydrophobicContact CD-CE1 4.22Å; K105-Y108 WeakPolarHBondContact CD-OH 3.33Å
106	S	92.2	Very high	91	Very high	69 Å²	69	56.1 Å²	56.1	48%	0.483	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-81.5	5.5	174.5	76.1	0	0	0	0	113.6	K87 D104 Y108	K87-S106 PolarHBondContact NZ-O 3.27Å; K87-S106 VanDerWaalsContact NZ-O 3.13Å; K87-S106 PolarHBondContact NZ-OG 2.96Å; D104-S106 PolarHBondContact O-N 3.35Å; D104-S106 VanDerWaalsContact OD1-CB 3.3Å; D104-S106 WeakPolarHBondContact OD1-CB 3.4Å; D104-S106 PolarHBondContact OD1-N 3.21Å; D104-S106 PolarHBondContact OD1-OG 3.04Å; D104-S106 PolarHBondContact OD2-OG 3.02Å; D104-S106 VanDerWaalsContact OD2-OG 3.13Å; S106-Y108 VanDerWaalsContact C-N 3.28Å
107	L	95.3	Very high	91	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.042	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-77.9	-11.5	174.8	-70.1	-179.3	0	0	0	113.6	E80 L83 K84 K87 V102 D104 K105	E80-L107 HydrophobicContact CB-CD1 4.43Å; E80-L107 HydrophobicContact CG-CD1 4.3Å; L83-L107 HydrophobicContact CB-CB 3.87Å; L83-L107 HydrophobicContact CB-CD1 4.32Å; L83-L107 HydrophobicContact CD1-CB 4.16Å; K84-L107 HydrophobicContact CG-CD1 4.37Å; K84-L107 HydrophobicContact CG-CD2 3.63Å; K87-L107 HydrophobicContact CD-CD2 3.89Å; V102-L107 HydrophobicContact CB-CD1 4.4Å; V102-L107 HydrophobicContact CG1-CD1 4.44Å; D104-L107 HydrophobicContact CB-CD1 4.1Å; D104-L107 HydrophobicContact CB-CG 3.94Å; D104-L107 WeakPolarHBondContact O-CB 3.48Å; D104-L107 VanDerWaalsContact O-CG 3.26Å; D104-L107 WeakPolarHBondContact O-CG 3.33Å; D104-L107 PolarHBondContact O-N 3.34Å; K105-L107 PolarHBondContact O-N 3.35Å
108	Y	96.3	Very high	91.1	Very high	31 Å²	31	59.5 Å²	59.5	12%	0.122	32%	0.321	C	S	.	.	S	Bend	trans	-143.1	157.5	172.4	61.5	-93.1	0	0	0	109.3	L83 V93 L95 V102 K105 S106 T111	L83-Y108 HydrophobicContact CD1-CD1 4.47Å; V93-Y108 CarbonylContact O-C 3.02Å; V93-Y108 WeakPolarHBondContact O-CB 3.21Å; L95-Y108 HydrophobicContact CD1-CD1 3.96Å; L95-Y108 HydrophobicContact CD1-CD2 3.81Å; L95-Y108 HydrophobicContact CD1-CE1 3.91Å; L95-Y108 HydrophobicContact CD1-CE2 3.77Å; L95-Y108 HydrophobicContact CD1-CG 3.91Å; L95-Y108 HydrophobicContact CG-CD2 3.93Å; L95-Y108 HydrophobicContact CG-CE2 4.33Å; L95-Y108 HydrophobicContact CG-CG 4.03Å; V102-Y108 HydrophobicContact CG2-CD1 4.28Å; V102-Y108 HydrophobicContact CG2-CE1 3.77Å; K105-Y108 HydrophobicContact CD-CE1 4.22Å; K105-Y108 WeakPolarHBondContact CD-OH 3.33Å; S106-Y108 VanDerWaalsContact C-N 3.28Å; Y108-T111 VanDerWaalsContact CE2-OG1 3.29Å; Y108-T111 WeakPolarHBondContact CE2-OG1 3.43Å
109	M	94.9	Very high	91	Very high	125 Å²	125	60.1 Å²	60.1	62%	0.616	32%	0.324	S	S	*	.	S	Bend	trans	-76.2	-48.8	-173.6	-65.2	-56.8	-64	0	0	112.4	P92 V93 F94	P92-M109 HydrophobicContact CB-CG 3.63Å; P92-M109 HydrophobicContact CB-SD 4.27Å; V93-M109 WeakPolarHBondContact O-CB 3.46Å; V93-M109 PolarHBondContact O-N 3.2Å; F94-M109 HydrophobicContact CD1-CB 3.98Å; F94-M109 HydrophobicContact CE1-CB 3.65Å; F94-M109 HydrophobicContact CE1-CG 4.21Å; F94-M109 HydrophobicContact CE2-CB 4.5Å; F94-M109 HydrophobicContact CE2-CG 4.28Å; F94-M109 HydrophobicContact CZ-CB 3.94Å; F94-M109 HydrophobicContact CZ-CG 3.96Å
110	T	92.6	Very high	91	Very high	67 Å²	67	58.6 Å²	58.6	41%	0.411	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	170.9	179	-170	0	0	0	0	111.1	F94 L95 V112	F94-T110 HydrophobicContact CD1-CG2 3.69Å; F94-T110 HydrophobicContact CE1-CG2 4.09Å; L95-T110 PolarHBondContact N-O 3Å; T110-V112 HydrophobicContact CG2-CG2 4.44Å
111	T	90	Very high	90.9	Very high	38 Å²	38	62.4 Å²	62.4	23%	0.233	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.7	172.7	-53	0	0	0	0	108.9	L95 Y108 T113	L95-T111 HydrophobicContact CB-CG2 3.96Å; L95-T111 WeakPolarHBondContact O-CA 3.34Å; Y108-T111 VanDerWaalsContact CE2-OG1 3.29Å; Y108-T111 WeakPolarHBondContact CE2-OG1 3.43Å; T111-T113 HydrophobicContact CG2-CG2 3.74Å
112	V	89	Confident	90.7	Very high	87 Å²	87	59.9 Å²	59.9	53%	0.527	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	101.3	174.1	-175.1	0	0	0	0	107.2	L95 L96 D97 T110	L95-V112 PolarHBondContact O-N 3.44Å; L96-V112 CarbonylContact C-O 3.58Å; L96-V112 HydrophobicContact CD2-CB 4.01Å; L96-V112 HydrophobicContact CD2-CG2 4.36Å; D97-V112 PolarHBondContact N-O 2.98Å; T110-V112 HydrophobicContact CG2-CG2 4.44Å
113	T	85.1	Confident	90.7	Very high	55 Å²	55	59.6 Å²	59.6	34%	0.337	31%	0.314	S	S	.	.			trans	-148.3	159.7	-176.8	-175.9	0	0	0	0	109.7	D97 T111 N116	D97-T113 WeakPolarHBondContact O-CB 3.38Å; D97-T113 PolarHBondContact O-OG1 2.95Å; T111-T113 HydrophobicContact CG2-CG2 3.74Å; T113-N116 PolarHBondContact OG1-ND2 2.81Å; T113-N116 VanDerWaalsContact OG1-ND2 3.07Å
114	A	84.7	Confident	90.9	Very high	39 Å²	39	50.4 Å²	50.4	32%	0.322	27%	0.274	S	S	.	.			trans	-70.8	161.8	167.2	0	0	0	0	0	110.9	N116 E119	A114-N116 VanDerWaalsContact C-N 3.25Å; A114-N116 PolarHBondContact O-N 3.25Å; A114-N116 PolarHBondContact O-ND2 3.28Å; A114-E119 VanDerWaalsContact CB-OE1 3.28Å; A114-E119 WeakPolarHBondContact CB-OE1 3.48Å
115	D	87.9	Confident	90.7	Very high	96 Å²	96	50.1 Å²	50.1	51%	0.513	27%	0.272	S	S	.	.			trans	-75.5	81.1	169.7	-174.1	-12.5	0	0	0	110.2	I117 L118 E119	D115-I117 PolarHBondContact O-N 2.65Å; D115-I117 VanDerWaalsContact O-N 3.16Å; D115-I117 PolarHBondContact OD1-N 3.19Å; D115-L118 HydrophobicContact CB-CB 3.83Å; D115-L118 WeakPolarHBondContact O-CA 3.44Å; D115-L118 WeakPolarHBondContact O-CB 3.49Å; D115-L118 PolarHBondContact O-N 3.27Å; D115-L118 PolarHBondContact OD1-N 3.01Å; D115-L118 WeakPolarHBondContact OD2-CB 3.18Å; D115-E119 WeakPolarHBondContact O-CG 3.45Å; D115-E119 PolarHBondContact O-N 2.84Å
116	N	91.7	Very high	90.9	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.011	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-25.5	-177	-65.7	-66.3	0	0	0	113.8	T113 A114 E119 G120 D152 R153	T113-N116 PolarHBondContact OG1-ND2 2.81Å; T113-N116 VanDerWaalsContact OG1-ND2 3.07Å; A114-N116 VanDerWaalsContact C-N 3.25Å; A114-N116 PolarHBondContact O-N 3.25Å; A114-N116 PolarHBondContact O-ND2 3.28Å; N116-E119 PolarHBondContact OD1-OE2 2.96Å; N116-E119 VanDerWaalsContact OD1-OE2 3.08Å; N116-G120 PolarHBondContact O-N 3.03Å; N116-D152 HydrophobicContact CB-CB 3.48Å; N116-D152 VanDerWaalsContact CB-CB 3.48Å; N116-R153 HydrophobicContact CB-CG 4.21Å; N116-R153 WeakPolarHBondContact O-CA 3.36Å; N116-R153 WeakPolarHBondContact O-CG 3.45Å; N116-R153 PolarHBondContact O-N 2.83Å; N116-R153 PolarHBondContact OD1-NE 3.12Å
117	I	92.4	Very high	91	Very high	44 Å²	44	44.3 Å²	44.3	23%	0.226	24%	0.237	C	C	.	.	H	α-helix	trans	-71.3	-46.3	173.9	-60.6	177.5	0	0	0	108.8	D115 E119 G120 K121 D152 K155 G156	D115-I117 PolarHBondContact O-N 2.65Å; D115-I117 VanDerWaalsContact O-N 3.16Å; D115-I117 PolarHBondContact OD1-N 3.19Å; I117-E119 VanDerWaalsContact C-N 3.32Å; I117-E119 PolarHBondContact O-N 3.14Å; I117-G120 PolarHBondContact O-N 3.26Å; I117-K121 VanDerWaalsContact O-CB 3.29Å; I117-K121 WeakPolarHBondContact O-CB 2.99Å; I117-K121 PolarHBondContact O-N 3.41Å; I117-D152 HydrophobicContact CG1-CB 3.75Å; I117-K155 HydrophobicContact CD1-CD 4.12Å; I117-G156 WeakPolarHBondContact O-CA 3.39Å
118	L	88.8	Confident	90.9	Very high	79 Å²	79	46.2 Å²	46.2	41%	0.414	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-41.9	174.8	-179.7	62.1	0	0	0	111.7	D115 G120 K121 L122	D115-L118 HydrophobicContact CB-CB 3.83Å; D115-L118 WeakPolarHBondContact O-CA 3.44Å; D115-L118 WeakPolarHBondContact O-CB 3.49Å; D115-L118 PolarHBondContact O-N 3.27Å; D115-L118 PolarHBondContact OD1-N 3.01Å; D115-L118 WeakPolarHBondContact OD2-CB 3.18Å; L118-G120 PolarHBondContact O-N 3.17Å; L118-K121 WeakPolarHBondContact O-CB 3.47Å; L118-K121 PolarHBondContact O-N 2.92Å; L118-K121 VanDerWaalsContact O-N 3.17Å; L118-L122 HydrophobicContact CD1-CD1 4.11Å; L118-L122 HydrophobicContact CD1-CD2 4.26Å; L118-L122 HydrophobicContact CD1-CG 3.9Å; L118-L122 HydrophobicContact CD2-CD1 4.5Å; L118-L122 HydrophobicContact CG-CD1 3.86Å; L118-L122 HydrophobicContact CG-CG 4.13Å; L118-L122 WeakPolarHBondContact O-CB 3.36Å; L118-L122 VanDerWaalsContact O-CG 3.24Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.25Å
119	E	88.2	Confident	90.6	Very high	17 Å²	17	52.3 Å²	52.3	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-56	-50.4	177.5	-60.1	-178.9	155	0	0	111.8	A114 D115 N116 I117 K121 L122 I123 R153 I233 L252	A114-E119 VanDerWaalsContact CB-OE1 3.28Å; A114-E119 WeakPolarHBondContact CB-OE1 3.48Å; D115-E119 WeakPolarHBondContact O-CG 3.45Å; D115-E119 PolarHBondContact O-N 2.84Å; N116-E119 PolarHBondContact OD1-OE2 2.96Å; N116-E119 VanDerWaalsContact OD1-OE2 3.08Å; I117-E119 VanDerWaalsContact C-N 3.32Å; I117-E119 PolarHBondContact O-N 3.14Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.37Å; E119-L122 PolarHBondContact O-N 3.26Å; E119-I123 PolarHBondContact O-N 3.15Å; E119-R153 IonicContact OE1-NH2 2.78Å; E119-R153 IonicContact OE2-CZ 3.95Å; E119-R153 IonicContact OE2-NE 3.09Å; E119-R153 PolarHBondContact OE2-NE 3.47Å; E119-R153 IonicContact OE2-NH2 3.89Å; E119-R153 PolarHBondContact OE2-NH2 2.54Å; E119-I233 HydrophobicContact CB-CD1 3.89Å; E119-I233 HydrophobicContact CB-CG1 4.39Å; E119-I233 HydrophobicContact CB-CG2 4.14Å; E119-I233 HydrophobicContact CG-CG2 4.32Å; E119-I233 WeakPolarHBondContact OE2-CG2 3.23Å; E119-L252 HydrophobicContact CB-CD2 3.97Å; E119-L252 HydrophobicContact CG-CD2 3.59Å
120	G	92	Very high	90.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-40.9	176.3	0	0	0	0	0	112.6	N116 I117 L118 L122 I123 G124 R153 F157 Y203	N116-G120 PolarHBondContact O-N 3.03Å; I117-G120 PolarHBondContact O-N 3.26Å; L118-G120 PolarHBondContact O-N 3.17Å; G120-L122 PolarHBondContact O-N 3Å; G120-I123 PolarHBondContact O-N 2.61Å; G120-G124 PolarHBondContact O-N 3.34Å; G120-G124 VanDerWaalsContact O-N 3.11Å; G120-R153 WeakPolarHBondContact CA-O 3.41Å; G120-F157 VanDerWaalsContact C-N 3.31Å; G120-F157 VanDerWaalsContact O-CA 3.27Å; G120-F157 WeakPolarHBondContact O-CA 3.43Å; G120-F157 PolarHBondContact O-N 2.78Å; G120-Y203 WeakPolarHBondContact CA-OH 3.24Å
121	K	91.8	Very high	90.4	Very high	85 Å²	85	48.5 Å²	48.5	37%	0.37	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-41.9	178.5	-171.7	-177.8	178.4	177.1	0	111.9	I117 L118 E119 I123 G124 D125 G156 A160	I117-K121 VanDerWaalsContact O-CB 3.29Å; I117-K121 WeakPolarHBondContact O-CB 2.99Å; I117-K121 PolarHBondContact O-N 3.41Å; L118-K121 WeakPolarHBondContact O-CB 3.47Å; L118-K121 PolarHBondContact O-N 2.92Å; L118-K121 VanDerWaalsContact O-N 3.17Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.37Å; K121-I123 VanDerWaalsContact C-N 3.34Å; K121-I123 PolarHBondContact O-N 2.88Å; K121-G124 PolarHBondContact O-N 2.72Å; K121-D125 WeakPolarHBondContact O-CB 3.31Å; K121-D125 PolarHBondContact O-N 3.07Å; K121-G156 VanDerWaalsContact CA-O 3.28Å; K121-G156 WeakPolarHBondContact CA-O 3.42Å; K121-G156 VanDerWaalsContact N-C 3.31Å; K121-A160 HydrophobicContact CG-CB 3.94Å; K121-A160 WeakPolarHBondContact O-CB 3.42Å
122	L	88.4	Confident	90.5	Very high	47 Å²	47	53.3 Å²	53.3	25%	0.246	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-38.3	-179.8	-72.8	171.9	0	0	0	112.3	L118 E119 G120 W126 L252	L118-L122 HydrophobicContact CD1-CD1 4.11Å; L118-L122 HydrophobicContact CD1-CD2 4.26Å; L118-L122 HydrophobicContact CD1-CG 3.9Å; L118-L122 HydrophobicContact CD2-CD1 4.5Å; L118-L122 HydrophobicContact CG-CD1 3.86Å; L118-L122 HydrophobicContact CG-CG 4.13Å; L118-L122 WeakPolarHBondContact O-CB 3.36Å; L118-L122 VanDerWaalsContact O-CG 3.24Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.25Å; E119-L122 PolarHBondContact O-N 3.26Å; G120-L122 PolarHBondContact O-N 3Å; L122-W126 WeakPolarHBondContact O-CB 3.48Å; L122-W126 PolarHBondContact O-N 2.98Å; L122-L252 HydrophobicContact CB-CD1 3.94Å; L122-L252 HydrophobicContact CD1-CD1 3.38Å; L122-L252 HydrophobicContact CG-CD1 4.3Å
123	I	91.5	Very high	90.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-39.2	174.2	-59.3	-61.9	0	0	0	111.2	E119 G120 K121 L127 F157 M201 Y203 S232 I233 A250	E119-I123 PolarHBondContact O-N 3.15Å; G120-I123 PolarHBondContact O-N 2.61Å; K121-I123 VanDerWaalsContact C-N 3.34Å; K121-I123 PolarHBondContact O-N 2.88Å; I123-L127 PolarHBondContact O-N 2.84Å; I123-F157 HydrophobicContact CB-CD2 4.31Å; I123-F157 HydrophobicContact CG2-CD2 4.19Å; I123-F157 HydrophobicContact CG2-CE2 4.03Å; I123-M201 HydrophobicContact CG2-CE 3.85Å; I123-Y203 HydrophobicContact CB-CD2 4.4Å; I123-Y203 HydrophobicContact CB-CE2 4.09Å; I123-Y203 HydrophobicContact CG1-CE2 4.29Å; I123-Y203 HydrophobicContact CG2-CD2 3.7Å; I123-Y203 HydrophobicContact CG2-CE2 3.9Å; I123-S232 VanDerWaalsContact CD1-O 3.32Å; I123-S232 WeakPolarHBondContact CD1-O 3.49Å; I123-I233 HydrophobicContact CG1-CD1 4.49Å; I123-I233 HydrophobicContact CG1-CG1 4.06Å; I123-A250 HydrophobicContact CD1-CB 4.35Å
124	G	93.5	Very high	91	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-43.8	175.4	0	0	0	0	0	112.9	G120 K121 W126 L127 V128	G120-G124 PolarHBondContact O-N 3.34Å; G120-G124 VanDerWaalsContact O-N 3.11Å; K121-G124 PolarHBondContact O-N 2.72Å; G124-W126 VanDerWaalsContact C-N 3.32Å; G124-W126 PolarHBondContact O-N 3.43Å; G124-L127 WeakPolarHBondContact O-CB 3.45Å; G124-L127 PolarHBondContact O-N 3.45Å; G124-V128 WeakPolarHBondContact O-CG2 3.42Å; G124-V128 PolarHBondContact O-N 3.11Å
125	D	90	Very high	91.6	Very high	58 Å²	58	60.1 Å²	60.1	31%	0.31	32%	0.315	S	S	.	.	H	α-helix	trans	-64.6	-37.9	177.7	-75.3	-19.5	0	0	0	111.4	K121 K129 A160	K121-D125 WeakPolarHBondContact O-CB 3.31Å; K121-D125 PolarHBondContact O-N 3.07Å; D125-K129 WeakPolarHBondContact O-CG 3.49Å; D125-K129 PolarHBondContact O-N 2.92Å; D125-A160 WeakPolarHBondContact OD1-CB 3.4Å
126	W	92.2	Very high	92	Very high	52 Å²	52	55.6 Å²	55.6	20%	0.197	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-49.5	170.9	167.3	77.7	0	0	0	111.1	L122 G124 V128 K129 E130 M201 L229 N249 A250	L122-W126 WeakPolarHBondContact O-CB 3.48Å; L122-W126 PolarHBondContact O-N 2.98Å; G124-W126 VanDerWaalsContact C-N 3.32Å; G124-W126 PolarHBondContact O-N 3.43Å; W126-V128 VanDerWaalsContact C-N 3.33Å; W126-V128 PolarHBondContact O-N 3.28Å; W126-K129 PolarHBondContact O-N 3.48Å; W126-K129 VanDerWaalsContact O-N 3.16Å; W126-E130 HydrophobicContact CZ2-CB 4.29Å; W126-E130 HydrophobicContact CZ2-CG 4.01Å; W126-E130 WeakPolarHBondContact O-CB 3.44Å; W126-E130 PolarHBondContact O-N 3.42Å; W126-M201 HydrophobicContact CE3-CE 4.26Å; W126-M201 HydrophobicContact CZ3-CE 3.62Å; W126-M201 HydrophobicContact CZ3-SD 4.03Å; W126-L229 HydrophobicContact CH2-CB 4.39Å; W126-N249 HydrophobicContact CH2-CB 3.56Å; W126-N249 HydrophobicContact CZ2-CB 3.52Å; W126-A250 HydrophobicContact CD2-CB 3.7Å; W126-A250 HydrophobicContact CE3-CB 3.91Å; W126-A250 HydrophobicContact CG-CB 4.26Å; W126-A250 HydrophobicContact CH2-CB 4.21Å; W126-A250 HydrophobicContact CZ2-CB 4.03Å; W126-A250 HydrophobicContact CZ3-CB 4.16Å
127	L	94.5	Very high	92.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-43.8	-180	179.4	64.4	0	0	0	111.9	I123 G124 K129 E130 V131 V138 F157 I167 M201 L229	I123-L127 PolarHBondContact O-N 2.84Å; G124-L127 WeakPolarHBondContact O-CB 3.45Å; G124-L127 PolarHBondContact O-N 3.45Å; L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 2.81Å; L127-E130 PolarHBondContact O-N 2.89Å; L127-V131 HydrophobicContact CD1-CG1 3.55Å; L127-V131 HydrophobicContact CG-CG1 4.2Å; L127-V131 WeakPolarHBondContact O-CG2 3.42Å; L127-V131 PolarHBondContact O-N 3.42Å; L127-V138 HydrophobicContact CD2-CG2 3.57Å; L127-F157 HydrophobicContact CD2-CE2 4.47Å; L127-F157 HydrophobicContact CD2-CZ 3.89Å; L127-I167 HydrophobicContact CD2-CD1 4.02Å; L127-I167 HydrophobicContact CD2-CG1 4.42Å; L127-I167 HydrophobicContact CD2-CG2 3.72Å; L127-I167 HydrophobicContact CG-CD1 3.94Å; L127-M201 HydrophobicContact CB-SD 4.2Å; L127-M201 HydrophobicContact CD1-CB 4.36Å; L127-M201 HydrophobicContact CD1-CG 4.42Å; L127-M201 HydrophobicContact CD1-SD 3.5Å; L127-M201 VanDerWaalsContact CD1-SD 3.5Å; L127-M201 HydrophobicContact CD2-SD 3.59Å; L127-M201 VanDerWaalsContact CD2-SD 3.59Å; L127-M201 HydrophobicContact CG-SD 3.93Å; L127-L229 HydrophobicContact CD1-CD1 4.34Å
128	V	93.5	Very high	92.6	Very high	49 Å²	49	56 Å²	56	30%	0.297	29%	0.294	S	S	.	.	H	α-helix	trans	-55	-43.4	177.8	171.6	0	0	0	0	111.3	G124 W126 N132 I161 A164 I167	G124-V128 WeakPolarHBondContact O-CG2 3.42Å; G124-V128 PolarHBondContact O-N 3.11Å; W126-V128 VanDerWaalsContact C-N 3.33Å; W126-V128 PolarHBondContact O-N 3.28Å; V128-N132 PolarHBondContact O-N 3.17Å; V128-I161 HydrophobicContact CG2-CG2 4.33Å; V128-A164 HydrophobicContact CG1-CB 4.32Å; V128-A164 HydrophobicContact CG2-CB 3.79Å; V128-I167 HydrophobicContact CB-CD1 4.37Å; V128-I167 HydrophobicContact CG2-CD1 3.72Å
129	K	89.7	Confident	93.1	Very high	158 Å²	158	52.3 Å²	52.3	69%	0.687	27%	0.274	S	S	*	.	H	α-helix	trans	-70.3	-45.1	177.3	-67.9	173.3	-175.3	173.3	0	112	D125 W126 L127 N132	D125-K129 WeakPolarHBondContact O-CG 3.49Å; D125-K129 PolarHBondContact O-N 2.92Å; W126-K129 PolarHBondContact O-N 3.48Å; W126-K129 VanDerWaalsContact O-N 3.16Å; L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 2.81Å; K129-N132 PolarHBondContact O-N 3.39Å
130	E	90.2	Very high	93.6	Very high	104 Å²	104	51.6 Å²	51.6	49%	0.486	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-45.1	-175.3	-174.4	59.1	-154.3	0	0	112.2	W126 L127 N132 L229	W126-E130 HydrophobicContact CZ2-CB 4.29Å; W126-E130 HydrophobicContact CZ2-CG 4.01Å; W126-E130 WeakPolarHBondContact O-CB 3.44Å; W126-E130 PolarHBondContact O-N 3.42Å; L127-E130 PolarHBondContact O-N 2.89Å; E130-N132 VanDerWaalsContact C-N 3.3Å; E130-N132 PolarHBondContact O-N 3.26Å; E130-L229 HydrophobicContact CG-CD1 4.11Å
131	V	93.2	Very high	93.9	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	27%	0.271	C	S	.	.	H	α-helix	trans	-75.7	-23.2	179.9	-55.3	0	0	0	0	112.3	L127 G133 K134 C136 N166 I167	L127-V131 HydrophobicContact CD1-CG1 3.55Å; L127-V131 HydrophobicContact CG-CG1 4.2Å; L127-V131 WeakPolarHBondContact O-CG2 3.42Å; L127-V131 PolarHBondContact O-N 3.42Å; V131-G133 VanDerWaalsContact C-N 3.31Å; V131-G133 PolarHBondContact O-N 3.45Å; V131-K134 VanDerWaalsContact O-CB 3.24Å; V131-K134 WeakPolarHBondContact O-CB 3.17Å; V131-K134 VanDerWaalsContact O-CG 3.29Å; V131-K134 WeakPolarHBondContact O-CG 3.35Å; V131-K134 PolarHBondContact O-N 2.94Å; V131-C136 HydrophobicContact CB-CB 4.39Å; V131-C136 HydrophobicContact CG1-CB 3.76Å; V131-N166 WeakPolarHBondContact CG2-ND2 3.41Å; V131-I167 HydrophobicContact CG2-CD1 3.88Å; V131-I167 HydrophobicContact CG2-CG1 4Å
132	N	91.9	Very high	94.1	Very high	138 Å²	138	49.4 Å²	49.4	74%	0.738	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	52	176.3	-167.1	25.2	0	0	0	113.2	V128 K129 E130 K134	V128-N132 PolarHBondContact O-N 3.17Å; K129-N132 PolarHBondContact O-N 3.39Å; E130-N132 VanDerWaalsContact C-N 3.3Å; E130-N132 PolarHBondContact O-N 3.26Å; N132-K134 PolarHBondContact O-N 2.83Å
133	G	90.7	Very high	94.3	Very high	54 Å²	54	47.1 Å²	47.1	56%	0.557	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-7.5	179.8	0	0	0	0	0	116.3	V131 N166	V131-G133 VanDerWaalsContact C-N 3.31Å; V131-G133 PolarHBondContact O-N 3.45Å; G133-N166 WeakPolarHBondContact CA-ND2 3.45Å; G133-N166 WeakPolarHBondContact O-CB 3.42Å
134	K	94.5	Very high	94.2	Very high	151 Å²	151	47.9 Å²	47.9	66%	0.657	26%	0.255	S	S	*	.	S	Bend	trans	-67.2	145.2	174.6	-64.9	172.8	-174.9	169.9	0	111.2	V131 N132 C136 N166	V131-K134 VanDerWaalsContact O-CB 3.24Å; V131-K134 WeakPolarHBondContact O-CB 3.17Å; V131-K134 VanDerWaalsContact O-CG 3.29Å; V131-K134 WeakPolarHBondContact O-CG 3.35Å; V131-K134 PolarHBondContact O-N 2.94Å; N132-K134 PolarHBondContact O-N 2.83Å; K134-C136 PolarHBondContact O-N 2.98Å; K134-N166 PolarHBondContact O-ND2 2.99Å
135	P	96.2	Very high	94.1	Very high	120 Å²	120	53.4 Å²	53.4	78%	0.779	29%	0.288	S	S	*	.			trans	-57.2	131.3	174.5	-23.3	33.5	0	0	0	111.5	N166	P135-N166 WeakPolarHBondContact CA-O 3.44Å
136	C	97.8	Very high	94.2	Very high	1 Å²	1	52 Å²	52	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	111.6	-178.5	-173	0	0	0	0	111.5	V131 K134 N166 I167 K168 C200	V131-C136 HydrophobicContact CB-CB 4.39Å; V131-C136 HydrophobicContact CG1-CB 3.76Å; K134-C136 PolarHBondContact O-N 2.98Å; C136-N166 PolarHBondContact N-O 3.21Å; C136-I167 HydrophobicContact CB-CG1 4.21Å; C136-I167 CarbonylContact O-C 3.53Å; C136-I167 VanDerWaalsContact O-CA 3.3Å; C136-I167 WeakPolarHBondContact O-CA 3.44Å; C136-K168 PolarHBondContact O-N 3.3Å; C136-C200 VanDerWaalsContact CA-SG 3.53Å; C136-C200 HydrophobicContact CB-CB 3.77Å; C136-C200 WeakPolarHBondContact CB-SG 3.21Å; C136-C200 WeakPolarHBondContact SG-CB 3.45Å; C136-C200 CovalentContact SG-SG 2.04Å; C136-C200 PolarHBondContact SG-SG 2.78Å
137	N	98.2	Very high	94.2	Very high	55 Å²	55	49.6 Å²	49.6	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.8	172	-68.5	-24.7	0	0	0	110	K168 I170 N198 C200 M201	N137-K168 CarbonylContact C-O 3.55Å; N137-K168 WeakPolarHBondContact CA-O 3.42Å; N137-I170 HydrophobicContact CB-CD1 3.72Å; N137-I170 HydrophobicContact CB-CG1 3.98Å; N137-I170 HydrophobicContact CB-CG2 3.91Å; N137-N198 WeakPolarHBondContact CB-O 3.46Å; N137-N198 PolarHBondContact ND2-O 2.91Å; N137-C200 WeakPolarHBondContact O-CB 3.48Å; N137-C200 PolarHBondContact O-N 2.95Å; N137-M201 PolarHBondContact O-N 2.7Å
138	V	98.4	Very high	94.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.8	-179.3	-175	0	0	0	0	109.4	L127 F157 I167 K168 I169 I170 M201	L127-V138 HydrophobicContact CD2-CG2 3.57Å; V138-F157 HydrophobicContact CG1-CE1 4.18Å; V138-F157 HydrophobicContact CG1-CZ 4.05Å; V138-F157 HydrophobicContact CG2-CZ 4.42Å; V138-I167 HydrophobicContact CG2-CG2 3.72Å; V138-K168 PolarHBondContact N-O 2.97Å; V138-I169 HydrophobicContact CB-CG1 4.42Å; V138-I169 CarbonylContact O-C 3.58Å; V138-I169 WeakPolarHBondContact O-CA 3.21Å; V138-I170 WeakPolarHBondContact O-CG1 3.36Å; V138-I170 PolarHBondContact O-N 2.88Å; V138-M201 CarbonylContact C-O 3.58Å; V138-M201 WeakPolarHBondContact CA-O 3.47Å; V138-M201 HydrophobicContact CG2-CB 4.36Å
139	V	98.5	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.4	164	-60.2	0	0	0	0	109.3	I170 R171 M186 F189 I199 M201 V202 Y203	V139-I170 HydrophobicContact CG1-CD1 4.15Å; V139-I170 HydrophobicContact CG1-CG1 3.97Å; V139-R171 WeakPolarHBondContact CA-O 3.39Å; V139-R171 HydrophobicContact CB-CB 4.35Å; V139-R171 HydrophobicContact CG1-CB 3.99Å; V139-R171 HydrophobicContact CG1-CG 4.34Å; V139-M186 HydrophobicContact CG2-CE 4.17Å; V139-M186 HydrophobicContact CG2-SD 3.95Å; V139-F189 HydrophobicContact CB-CD2 3.6Å; V139-F189 HydrophobicContact CB-CE2 3.99Å; V139-F189 HydrophobicContact CB-CG 4.31Å; V139-F189 HydrophobicContact CG1-CB 4.35Å; V139-F189 HydrophobicContact CG1-CD2 4.18Å; V139-F189 HydrophobicContact CG1-CG 4.41Å; V139-F189 HydrophobicContact CG2-CD2 3.9Å; V139-I199 HydrophobicContact CG1-CD1 3.88Å; V139-I199 HydrophobicContact CG1-CG1 3.92Å; V139-I199 HydrophobicContact CG1-CG2 4.03Å; V139-I199 HydrophobicContact CG2-CD1 4.27Å; V139-I199 HydrophobicContact CG2-CG2 3.77Å; V139-M201 PolarHBondContact N-O 3.28Å; V139-V202 HydrophobicContact CG2-CB 3.88Å; V139-V202 HydrophobicContact CG2-CG2 4.06Å; V139-V202 WeakPolarHBondContact O-CA 3.24Å; V139-Y203 PolarHBondContact O-N 2.9Å
140	E	98.5	Very high	94.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.7	-175	-177.8	-174.6	-152.2	0	0	111.4	Q142 K154 I169 R171 S172 Q173 Y203 H205	E140-Q142 HydrophobicContact CG-CG 3.88Å; E140-K154 WeakPolarHBondContact OE1-CG 3.32Å; E140-I169 HydrophobicContact CB-CG2 4.18Å; E140-R171 PolarHBondContact N-O 3.26Å; E140-S172 WeakPolarHBondContact O-CA 3.07Å; E140-S172 WeakPolarHBondContact OE2-CB 3.42Å; E140-S172 PolarHBondContact OE2-OG 2.88Å; E140-Q173 PolarHBondContact O-N 2.88Å; E140-Y203 CarbonylContact C-O 3.55Å; E140-Y203 VanDerWaalsContact CA-O 3.32Å; E140-Y203 WeakPolarHBondContact CA-O 3.46Å; E140-Y203 HydrophobicContact CG-CD1 3.95Å; E140-Y203 HydrophobicContact CG-CE1 4.48Å; E140-H205 IonicContact OE1-CD2 3.62Å; E140-H205 IonicContact OE1-CE1 2.84Å; E140-H205 IonicContact OE1-NE2 3.52Å; E140-H205 PolarHBondContact OE1-NE2 3.35Å
141	L	98.1	Very high	94.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	98.1	169.6	-61.6	178.6	0	0	0	108.7	Q173 V185 F189 V202 Y203 A204 H205 M209 A213	L141-Q173 WeakPolarHBondContact CA-O 3.34Å; L141-V185 HydrophobicContact CD2-CB 3.73Å; L141-V185 HydrophobicContact CD2-CG1 3.31Å; L141-F189 HydrophobicContact CD2-CD2 4.2Å; L141-F189 HydrophobicContact CD2-CE2 3.77Å; L141-V202 HydrophobicContact CD1-CG2 3.8Å; L141-V202 HydrophobicContact CG-CG2 3.98Å; L141-Y203 PolarHBondContact N-O 3.25Å; L141-A204 HydrophobicContact CB-CB 3.92Å; L141-A204 HydrophobicContact CD1-CB 4.35Å; L141-A204 WeakPolarHBondContact O-CA 3.32Å; L141-H205 PolarHBondContact O-N 3.28Å; L141-M209 HydrophobicContact CB-SD 4.29Å; L141-M209 HydrophobicContact CD1-CB 4.43Å; L141-M209 WeakPolarHBondContact O-CE 3.49Å; L141-A213 HydrophobicContact CD1-CB 3.81Å
142	Q	97.1	Very high	94.7	Very high	39 Å²	39	41 Å²	41	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	153.4	-178.4	-64.6	178.3	77	0	0	111.4	E140 S172 Q173 S174 G175 H205 M209	E140-Q142 HydrophobicContact CG-CG 3.88Å; Q142-S172 PolarHBondContact NE2-OG 3.49Å; Q142-Q173 PolarHBondContact N-O 2.96Å; Q142-S174 CarbonylContact O-C 3.56Å; Q142-S174 VanDerWaalsContact O-CA 3.31Å; Q142-S174 WeakPolarHBondContact O-CA 3.43Å; Q142-S174 PolarHBondContact O-OG 3.39Å; Q142-G175 PolarHBondContact O-N 3.39Å; Q142-H205 WeakPolarHBondContact CA-ND1 3.5Å; Q142-M209 VanDerWaalsContact O-SD 3.42Å
143	G	92.2	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.			trans	-66	-170.9	165.4	0	0	0	0	0	113.7	V145 S174 F177 H205	G143-V145 PolarHBondContact O-N 3.25Å; G143-S174 WeakPolarHBondContact O-CB 3.3Å; G143-S174 PolarHBondContact O-OG 3.23Å; G143-F177 VanDerWaalsContact CA-CE2 3.45Å; G143-H205 PolarHBondContact N-ND1 3.44Å; G143-H205 VanDerWaalsContact N-ND1 3.11Å
144	T	90.2	Very high	95.3	Very high	15 Å²	15	36.1 Å²	36.1	9%	0.092	20%	0.199	C	C	.	.	S	Bend	trans	-53.2	131.4	176.8	-48.7	0	0	0	0	111.3	V74 G146 A147 F177	V74-T144 HydrophobicContact CG1-CG2 4.33Å; T144-G146 PolarHBondContact O-N 3.4Å; T144-A147 VanDerWaalsContact O-CB 3.29Å; T144-A147 WeakPolarHBondContact O-CB 3.29Å; T144-A147 PolarHBondContact O-N 2.98Å; T144-A147 VanDerWaalsContact O-N 3.1Å; T144-F177 VanDerWaalsContact N-CE2 3.31Å; T144-F177 WeakPolarHBondContact OG1-CD2 3.45Å
145	V	91.3	Very high	95.4	Very high	116 Å²	116	33.7 Å²	33.7	70%	0.703	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	127	-179.6	-179.9	0	0	0	0	110.4	G143 A147	G143-V145 PolarHBondContact O-N 3.25Å; V145-A147 VanDerWaalsContact C-N 3.34Å
146	G	90.7	Very high	95.4	Very high	30 Å²	30	28 Å²	28	31%	0.309	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-5.5	-179.9	0	0	0	0	0	114.9	V75 A76 T144	V75-G146 CarbonylContact C-O 3.53Å; V75-G146 WeakPolarHBondContact CA-O 3.3Å; A76-G146 PolarHBondContact N-O 3.18Å; T144-G146 PolarHBondContact O-N 3.4Å
147	A	93.1	Very high	95.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.			trans	-69.3	136.2	170.9	0	0	0	0	0	110.5	V74 T144 V145 V149 A150 I151 F177	V74-A147 WeakPolarHBondContact O-CB 3.33Å; T144-A147 VanDerWaalsContact O-CB 3.29Å; T144-A147 WeakPolarHBondContact O-CB 3.29Å; T144-A147 PolarHBondContact O-N 2.98Å; T144-A147 VanDerWaalsContact O-N 3.1Å; V145-A147 VanDerWaalsContact C-N 3.34Å; A147-V149 VanDerWaalsContact C-N 3.3Å; A147-V149 HydrophobicContact CB-CG2 3.94Å; A147-V149 PolarHBondContact O-N 3.07Å; A147-A150 HydrophobicContact CB-CB 4.32Å; A147-A150 PolarHBondContact O-N 3.41Å; A147-A150 VanDerWaalsContact O-N 3.12Å; A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 3.11Å; A147-I151 VanDerWaalsContact O-N 3.12Å; A147-F177 HydrophobicContact CB-CE2 4.33Å
148	S	93.3	Very high	95.3	Very high	7 Å²	7	27.4 Å²	27.4	5%	0.049	15%	0.154	C	C	.	.	H	α-helix	trans	-57.3	-44.3	-178.9	66.9	0	0	0	0	112	R98 S99 A150 I151 D152	R98-S148 WeakPolarHBondContact CA-OG 3.27Å; S99-S148 PolarHBondContact N-OG 2.92Å; S148-A150 VanDerWaalsContact C-N 3.29Å; S148-A150 PolarHBondContact O-N 3.03Å; S148-I151 WeakPolarHBondContact O-CB 3.46Å; S148-I151 PolarHBondContact O-N 3.28Å; S148-I151 VanDerWaalsContact O-N 3.09Å; S148-D152 WeakPolarHBondContact O-CB 3.42Å; S148-D152 VanDerWaalsContact O-CG 3.28Å; S148-D152 PolarHBondContact O-N 3.05Å
149	V	92.7	Very high	95.2	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-56.1	-41.2	177.6	-74	0	0	0	0	112.2	R98 A147 R153 F177	R98-V149 HydrophobicContact CG-CG1 3.81Å; R98-V149 HydrophobicContact CG-CG2 3.94Å; A147-V149 VanDerWaalsContact C-N 3.3Å; A147-V149 HydrophobicContact CB-CG2 3.94Å; A147-V149 PolarHBondContact O-N 3.07Å; V149-R153 WeakPolarHBondContact O-CB 3.46Å; V149-R153 WeakPolarHBondContact O-CD 3.5Å; V149-R153 WeakPolarHBondContact O-CG 3.47Å; V149-R153 PolarHBondContact O-N 2.85Å; V149-F177 HydrophobicContact CB-CZ 4.32Å; V149-F177 HydrophobicContact CG2-CE2 3.85Å; V149-F177 HydrophobicContact CG2-CZ 3.47Å; V149-F177 VanDerWaalsContact CG2-CZ 3.47Å
150	A	94.2	Very high	95	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-71.4	-37	178.8	0	0	0	0	0	111.6	A147 S148 K154 F177 H205	A147-A150 HydrophobicContact CB-CB 4.32Å; A147-A150 PolarHBondContact O-N 3.41Å; A147-A150 VanDerWaalsContact O-N 3.12Å; S148-A150 VanDerWaalsContact C-N 3.29Å; S148-A150 PolarHBondContact O-N 3.03Å; A150-K154 WeakPolarHBondContact O-CB 3.46Å; A150-K154 PolarHBondContact O-N 2.88Å; A150-F177 HydrophobicContact CB-CZ 4.28Å; A150-H205 WeakPolarHBondContact CA-ND1 3.36Å; A150-H205 PolarHBondContact O-CE1 3.49Å
151	I	95.9	Very high	94.9	Very high	88 Å²	88	33 Å²	33	45%	0.451	18%	0.182	S	C	.	.	H	α-helix	trans	-66.3	-47.3	176.3	-65	164.3	0	0	0	110.5	A147 S148 K155	A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 3.11Å; A147-I151 VanDerWaalsContact O-N 3.12Å; S148-I151 WeakPolarHBondContact O-CB 3.46Å; S148-I151 PolarHBondContact O-N 3.28Å; S148-I151 VanDerWaalsContact O-N 3.09Å; I151-K155 WeakPolarHBondContact O-CB 3.32Å; I151-K155 PolarHBondContact O-N 2.62Å
152	D	96	Very high	94.7	Very high	38 Å²	38	41 Å²	41	20%	0.203	22%	0.217	C	C	.	.	H	α-helix	trans	-71.6	-46	-174.6	-70.5	-22.4	0	0	0	111.9	N116 I117 S148 K154 K155 G156	N116-D152 HydrophobicContact CB-CB 3.48Å; N116-D152 VanDerWaalsContact CB-CB 3.48Å; I117-D152 HydrophobicContact CG1-CB 3.75Å; S148-D152 WeakPolarHBondContact O-CB 3.42Å; S148-D152 VanDerWaalsContact O-CG 3.28Å; S148-D152 PolarHBondContact O-N 3.05Å; D152-K154 VanDerWaalsContact C-N 3.34Å; D152-K154 PolarHBondContact O-N 3.41Å; D152-K155 WeakPolarHBondContact O-CB 3.17Å; D152-K155 PolarHBondContact O-N 2.82Å; D152-K155 VanDerWaalsContact O-N 3.15Å; D152-G156 PolarHBondContact O-N 3.29Å
153	R	96.4	Very high	94.4	Very high	11 Å²	11	46.3 Å²	46.3	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-43.9	176.3	-72.6	171.6	-179.7	-179.8	-0.5	111.2	N116 E119 G120 V149 G156 F157 Y203 H205 I233 D234	N116-R153 HydrophobicContact CB-CG 4.21Å; N116-R153 WeakPolarHBondContact O-CA 3.36Å; N116-R153 WeakPolarHBondContact O-CG 3.45Å; N116-R153 PolarHBondContact O-N 2.83Å; N116-R153 PolarHBondContact OD1-NE 3.12Å; E119-R153 IonicContact OE1-NH2 2.78Å; E119-R153 IonicContact OE2-CZ 3.95Å; E119-R153 IonicContact OE2-NE 3.09Å; E119-R153 PolarHBondContact OE2-NE 3.47Å; E119-R153 IonicContact OE2-NH2 3.89Å; E119-R153 PolarHBondContact OE2-NH2 2.54Å; G120-R153 WeakPolarHBondContact CA-O 3.41Å; V149-R153 WeakPolarHBondContact O-CB 3.46Å; V149-R153 WeakPolarHBondContact O-CD 3.5Å; V149-R153 WeakPolarHBondContact O-CG 3.47Å; V149-R153 PolarHBondContact O-N 2.85Å; R153-G156 PolarHBondContact O-N 3.32Å; R153-F157 WeakPolarHBondContact O-CB 3.31Å; R153-F157 PolarHBondContact O-N 3.47Å; R153-Y203 WeakPolarHBondContact CB-OH 3.46Å; R153-Y203 PolarHBondContact O-OH 3.24Å; R153-H205 WeakPolarHBondContact CD-O 3.3Å; R153-H205 PolarHBondContact NH1-O 3.03Å; R153-I233 HydrophobicContact CB-CD1 4.34Å; R153-I233 HydrophobicContact CG-CD1 3.85Å; R153-D234 IonicContact CZ-OD1 3.74Å; R153-D234 IonicContact NH1-OD1 3.94Å; R153-D234 PolarHBondContact NH1-OD1 3.44Å; R153-D234 IonicContact NH2-OD1 3.92Å; R153-D234 PolarHBondContact NH2-OD1 3.39Å
154	K	97.3	Very high	94.5	Very high	79 Å²	79	46.7 Å²	46.7	34%	0.343	25%	0.25	S	C	.	.	H	α-helix	trans	-59.4	-47.2	172.6	179.6	174.5	-162.1	167.3	0	112.7	E140 A150 D152 F157 A158	E140-K154 WeakPolarHBondContact OE1-CG 3.32Å; A150-K154 WeakPolarHBondContact O-CB 3.46Å; A150-K154 PolarHBondContact O-N 2.88Å; D152-K154 VanDerWaalsContact C-N 3.34Å; D152-K154 PolarHBondContact O-N 3.41Å; K154-F157 PolarHBondContact O-N 3.34Å; K154-A158 WeakPolarHBondContact O-CB 3.46Å; K154-A158 PolarHBondContact O-N 3.09Å
155	K	97.4	Very high	94.6	Very high	100 Å²	100	51.1 Å²	51.1	44%	0.435	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-49.1	179.2	178.5	-176.7	170.6	-171.5	0	110.9	I117 I151 D152 F157 A158 E159	I117-K155 HydrophobicContact CD1-CD 4.12Å; I151-K155 WeakPolarHBondContact O-CB 3.32Å; I151-K155 PolarHBondContact O-N 2.62Å; D152-K155 WeakPolarHBondContact O-CB 3.17Å; D152-K155 PolarHBondContact O-N 2.82Å; D152-K155 VanDerWaalsContact O-N 3.15Å; K155-F157 PolarHBondContact O-N 2.81Å; K155-A158 PolarHBondContact O-N 3.12Å; K155-E159 WeakPolarHBondContact CE-OE1 3.3Å; K155-E159 WeakPolarHBondContact O-CG 3.47Å; K155-E159 PolarHBondContact O-N 2.94Å
156	G	95.9	Very high	94.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-49.2	178.1	0	0	0	0	0	112.9	I117 K121 D152 R153 A158 E159 A160	I117-G156 WeakPolarHBondContact O-CA 3.39Å; K121-G156 VanDerWaalsContact CA-O 3.28Å; K121-G156 WeakPolarHBondContact CA-O 3.42Å; K121-G156 VanDerWaalsContact N-C 3.31Å; D152-G156 PolarHBondContact O-N 3.29Å; R153-G156 PolarHBondContact O-N 3.32Å; G156-A158 PolarHBondContact O-N 3.44Å; G156-E159 PolarHBondContact O-N 3.21Å; G156-A160 PolarHBondContact O-N 2.85Å
157	F	97.2	Very high	95.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-44.6	178.4	-173.1	-92.3	0	0	0	111.7	G120 I123 L127 V138 R153 K154 K155 E159 A160 I161 I169 Y203	G120-F157 VanDerWaalsContact C-N 3.31Å; G120-F157 VanDerWaalsContact O-CA 3.27Å; G120-F157 WeakPolarHBondContact O-CA 3.43Å; G120-F157 PolarHBondContact O-N 2.78Å; I123-F157 HydrophobicContact CB-CD2 4.31Å; I123-F157 HydrophobicContact CG2-CD2 4.19Å; I123-F157 HydrophobicContact CG2-CE2 4.03Å; L127-F157 HydrophobicContact CD2-CE2 4.47Å; L127-F157 HydrophobicContact CD2-CZ 3.89Å; V138-F157 HydrophobicContact CG1-CE1 4.18Å; V138-F157 HydrophobicContact CG1-CZ 4.05Å; V138-F157 HydrophobicContact CG2-CZ 4.42Å; R153-F157 WeakPolarHBondContact O-CB 3.31Å; R153-F157 PolarHBondContact O-N 3.47Å; K154-F157 PolarHBondContact O-N 3.34Å; K155-F157 PolarHBondContact O-N 2.81Å; F157-E159 VanDerWaalsContact C-N 3.33Å; F157-E159 PolarHBondContact O-N 3.27Å; F157-A160 PolarHBondContact O-N 3.36Å; F157-I161 HydrophobicContact CD1-CD1 4.22Å; F157-I161 HydrophobicContact CE1-CD1 3.85Å; F157-I161 HydrophobicContact CE1-CG2 4.11Å; F157-I161 HydrophobicContact CZ-CG2 4.14Å; F157-I161 WeakPolarHBondContact O-CG1 3.3Å; F157-I161 PolarHBondContact O-N 3.41Å; F157-I169 HydrophobicContact CD1-CD1 3.99Å; F157-I169 HydrophobicContact CE1-CD1 4.06Å; F157-I169 HydrophobicContact CE1-CG1 4.18Å; F157-Y203 HydrophobicContact CB-CD1 4.13Å; F157-Y203 HydrophobicContact CB-CE1 3.52Å; F157-Y203 AromaticContact CD1-CD1 3.91Å; F157-Y203 HydrophobicContact CD1-CD1 3.91Å; F157-Y203 HydrophobicContact CD1-CE1 4.18Å; F157-Y203 AromaticContact CD2-CD1 3.75Å; F157-Y203 HydrophobicContact CD2-CD1 3.75Å; F157-Y203 HydrophobicContact CD2-CD2 4.19Å; F157-Y203 AromaticContact CD2-CE1 3.82Å; F157-Y203 HydrophobicContact CD2-CE1 3.82Å; F157-Y203 HydrophobicContact CD2-CE2 4.24Å; F157-Y203 AromaticContact CD2-CG 3.95Å; F157-Y203 HydrophobicContact CD2-CG 3.95Å; F157-Y203 HydrophobicContact CE1-CD1 4.25Å; F157-Y203 HydrophobicContact CE2-CD1 4.12Å; F157-Y203 HydrophobicContact CE2-CD2 4.34Å; F157-Y203 AromaticContact CE2-CG 3.97Å; F157-Y203 HydrophobicContact CE2-CG 3.97Å; F157-Y203 AromaticContact CG-CD1 3.65Å; F157-Y203 HydrophobicContact CG-CD1 3.65Å; F157-Y203 AromaticContact CG-CE1 3.57Å; F157-Y203 HydrophobicContact CG-CE1 3.57Å; F157-Y203 HydrophobicContact CG-CG 4.31Å; F157-Y203 HydrophobicContact CZ-CD1 4.35Å; F157-Y203 HydrophobicContact CZ-CG 4.34Å
158	A	96.7	Very high	95.4	Very high	43 Å²	43	52.6 Å²	52.6	36%	0.355	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-37.4	177	0	0	0	0	0	112.8	K154 K155 G156 K162	K154-A158 WeakPolarHBondContact O-CB 3.46Å; K154-A158 PolarHBondContact O-N 3.09Å; K155-A158 PolarHBondContact O-N 3.12Å; G156-A158 PolarHBondContact O-N 3.44Å; A158-K162 PolarHBondContact O-N 3.26Å
159	E	96.9	Very high	95.6	Very high	89 Å²	89	55.2 Å²	55.2	42%	0.416	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-41.7	175.6	-76.7	179.3	-175.5	0	0	112.2	K155 G156 F157 K162	K155-E159 WeakPolarHBondContact CE-OE1 3.3Å; K155-E159 WeakPolarHBondContact O-CG 3.47Å; K155-E159 PolarHBondContact O-N 2.94Å; G156-E159 PolarHBondContact O-N 3.21Å; F157-E159 VanDerWaalsContact C-N 3.33Å; F157-E159 PolarHBondContact O-N 3.27Å; E159-K162 WeakPolarHBondContact O-CB 3.5Å; E159-K162 PolarHBondContact O-N 3.36Å
160	A	94	Very high	95.8	Very high	12 Å²	12	57.4 Å²	57.4	10%	0.099	29%	0.294	C	S	.	.	H	α-helix	trans	-63.4	-45.7	178.4	0	0	0	0	0	112.9	K121 D125 G156 F157 K162	K121-A160 HydrophobicContact CG-CB 3.94Å; K121-A160 WeakPolarHBondContact O-CB 3.42Å; D125-A160 WeakPolarHBondContact OD1-CB 3.4Å; G156-A160 PolarHBondContact O-N 2.85Å; F157-A160 PolarHBondContact O-N 3.36Å; A160-K162 VanDerWaalsContact C-N 3.31Å; A160-K162 PolarHBondContact O-N 2.9Å
161	I	96.4	Very high	96	Very high	18 Å²	18	62.7 Å²	62.7	9%	0.092	31%	0.313	C	S	.	.	H	α-helix	trans	-83.1	-6.2	-176.8	70	168.6	0	0	0	113.4	V128 F157 N163 A164 I167 I169	V128-I161 HydrophobicContact CG2-CG2 4.33Å; F157-I161 HydrophobicContact CD1-CD1 4.22Å; F157-I161 HydrophobicContact CE1-CD1 3.85Å; F157-I161 HydrophobicContact CE1-CG2 4.11Å; F157-I161 HydrophobicContact CZ-CG2 4.14Å; F157-I161 WeakPolarHBondContact O-CG1 3.3Å; F157-I161 PolarHBondContact O-N 3.41Å; I161-N163 PolarHBondContact O-N 3.13Å; I161-N163 VanDerWaalsContact O-N 3.09Å; I161-A164 PolarHBondContact O-N 3.45Å; I161-I167 HydrophobicContact CB-CB 4.44Å; I161-I167 HydrophobicContact CB-CG2 4.15Å; I161-I167 HydrophobicContact CD1-CG2 3.97Å; I161-I167 HydrophobicContact CG2-CD1 4.31Å; I161-I167 HydrophobicContact CG2-CG2 4.04Å; I161-I169 HydrophobicContact CD1-CD1 4.02Å; I161-I169 HydrophobicContact CD1-CG1 3.89Å
162	K	94.6	Very high	96.1	Very high	169 Å²	169	60.8 Å²	60.8	74%	0.735	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.6	-174.1	-174.8	178	177.9	-179	0	113.6	A158 E159 A160	A158-K162 PolarHBondContact O-N 3.26Å; E159-K162 WeakPolarHBondContact O-CB 3.5Å; E159-K162 PolarHBondContact O-N 3.36Å; A160-K162 VanDerWaalsContact C-N 3.31Å; A160-K162 PolarHBondContact O-N 2.9Å
163	N	90.2	Very high	96.2	Very high	150 Å²	150	63.1 Å²	63.1	80%	0.802	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	6.5	-178.9	-64.3	-29.7	0	0	0	113.5	I161 P165	I161-N163 PolarHBondContact O-N 3.13Å; I161-N163 VanDerWaalsContact O-N 3.09Å; N163-P165 VanDerWaalsContact O-CD 3.32Å; N163-P165 WeakPolarHBondContact O-CD 3.46Å
164	A	94.7	Very high	96.1	Very high	8 Å²	8	63.4 Å²	63.4	7%	0.066	32%	0.32	C	S	.	.			trans	-115	82.2	-179	0	0	0	0	0	110.7	V128 I161 N166 I167	V128-A164 HydrophobicContact CG1-CB 4.32Å; V128-A164 HydrophobicContact CG2-CB 3.79Å; I161-A164 PolarHBondContact O-N 3.45Å; A164-N166 PolarHBondContact O-N 3.31Å; A164-I167 HydrophobicContact CB-CD1 3.89Å; A164-I167 HydrophobicContact CB-CG1 4.34Å; A164-I167 PolarHBondContact O-N 3.13Å
165	P	92.7	Very high	96	Very high	109 Å²	109	59.6 Å²	59.6	71%	0.708	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.3	-171.8	27.7	-36.5	0	0	0	114.6	N163 I167	N163-P165 VanDerWaalsContact O-CD 3.32Å; N163-P165 WeakPolarHBondContact O-CD 3.46Å; P165-I167 VanDerWaalsContact C-N 3.27Å
166	N	96.4	Very high	95.6	Very high	39 Å²	39	58 Å²	58	21%	0.209	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.2	172.7	61	-62.6	0	0	0	112.7	V131 G133 K134 P135 C136 A164	V131-N166 WeakPolarHBondContact CG2-ND2 3.41Å; G133-N166 WeakPolarHBondContact CA-ND2 3.45Å; G133-N166 WeakPolarHBondContact O-CB 3.42Å; K134-N166 PolarHBondContact O-ND2 2.99Å; P135-N166 WeakPolarHBondContact CA-O 3.44Å; C136-N166 PolarHBondContact N-O 3.21Å; A164-N166 PolarHBondContact O-N 3.31Å
167	I	97.9	Very high	95.4	Very high	10 Å²	10	58.3 Å²	58.3	5%	0.051	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.6	178.7	-60.5	168.8	0	0	0	109.4	L127 V128 V131 C136 V138 I161 A164 P165	L127-I167 HydrophobicContact CD2-CD1 4.02Å; L127-I167 HydrophobicContact CD2-CG1 4.42Å; L127-I167 HydrophobicContact CD2-CG2 3.72Å; L127-I167 HydrophobicContact CG-CD1 3.94Å; V128-I167 HydrophobicContact CB-CD1 4.37Å; V128-I167 HydrophobicContact CG2-CD1 3.72Å; V131-I167 HydrophobicContact CG2-CD1 3.88Å; V131-I167 HydrophobicContact CG2-CG1 4Å; C136-I167 HydrophobicContact CB-CG1 4.21Å; C136-I167 CarbonylContact O-C 3.53Å; C136-I167 VanDerWaalsContact O-CA 3.3Å; C136-I167 WeakPolarHBondContact O-CA 3.44Å; V138-I167 HydrophobicContact CG2-CG2 3.72Å; I161-I167 HydrophobicContact CB-CB 4.44Å; I161-I167 HydrophobicContact CB-CG2 4.15Å; I161-I167 HydrophobicContact CD1-CG2 3.97Å; I161-I167 HydrophobicContact CG2-CD1 4.31Å; I161-I167 HydrophobicContact CG2-CG2 4.04Å; A164-I167 HydrophobicContact CB-CD1 3.89Å; A164-I167 HydrophobicContact CB-CG1 4.34Å; A164-I167 PolarHBondContact O-N 3.13Å; P165-I167 VanDerWaalsContact C-N 3.27Å
168	K	96.9	Very high	95	Very high	128 Å²	128	59.7 Å²	59.7	56%	0.557	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.4	179.9	-64.2	-178.8	-176.9	177.1	0	111.3	C136 N137 V138 I170	C136-K168 PolarHBondContact O-N 3.3Å; N137-K168 CarbonylContact C-O 3.55Å; N137-K168 WeakPolarHBondContact CA-O 3.42Å; V138-K168 PolarHBondContact N-O 2.97Å; K168-I170 HydrophobicContact CB-CG2 4.32Å; K168-I170 PolarHBondContact O-N 3.34Å
169	I	97.3	Very high	94.8	Very high	62 Å²	62	61.8 Å²	61.8	32%	0.318	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	109.3	167.6	-55.7	173	0	0	0	107.7	V138 E140 F157 I161 R171	V138-I169 HydrophobicContact CB-CG1 4.42Å; V138-I169 CarbonylContact O-C 3.58Å; V138-I169 WeakPolarHBondContact O-CA 3.21Å; E140-I169 HydrophobicContact CB-CG2 4.18Å; F157-I169 HydrophobicContact CD1-CD1 3.99Å; F157-I169 HydrophobicContact CE1-CD1 4.06Å; F157-I169 HydrophobicContact CE1-CG1 4.18Å; I161-I169 HydrophobicContact CD1-CD1 4.02Å; I161-I169 HydrophobicContact CD1-CG1 3.89Å; I169-R171 WeakPolarHBondContact CG2-O 3.28Å
170	I	97.2	Very high	94.6	Very high	49 Å²	49	62 Å²	62	25%	0.251	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-25.5	-175.3	56.2	159.2	0	0	0	113	N137 V138 V139 K168 E193	N137-I170 HydrophobicContact CB-CD1 3.72Å; N137-I170 HydrophobicContact CB-CG1 3.98Å; N137-I170 HydrophobicContact CB-CG2 3.91Å; V138-I170 WeakPolarHBondContact O-CG1 3.36Å; V138-I170 PolarHBondContact O-N 2.88Å; V139-I170 HydrophobicContact CG1-CD1 4.15Å; V139-I170 HydrophobicContact CG1-CG1 3.97Å; K168-I170 HydrophobicContact CB-CG2 4.32Å; K168-I170 PolarHBondContact O-N 3.34Å; I170-E193 HydrophobicContact CD1-CB 4.49Å; I170-E193 HydrophobicContact CD1-CG 3.78Å
171	R	98	Very high	94.5	Very high	115 Å²	115	64 Å²	64	43%	0.434	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145.9	175.5	-62	-67.4	177.5	-158.1	-5.7	109.3	V139 E140 I169 F189 E193	V139-R171 WeakPolarHBondContact CA-O 3.39Å; V139-R171 HydrophobicContact CB-CB 4.35Å; V139-R171 HydrophobicContact CG1-CB 3.99Å; V139-R171 HydrophobicContact CG1-CG 4.34Å; E140-R171 PolarHBondContact N-O 3.26Å; I169-R171 WeakPolarHBondContact CG2-O 3.28Å; R171-F189 HydrophobicContact CB-CD1 3.81Å; R171-F189 HydrophobicContact CB-CD2 4.36Å; R171-F189 HydrophobicContact CB-CE1 3.61Å; R171-F189 HydrophobicContact CB-CE2 4.15Å; R171-F189 HydrophobicContact CB-CG 4.17Å; R171-F189 HydrophobicContact CB-CZ 3.76Å; R171-F189 HydrophobicContact CG-CD1 4.08Å; R171-F189 HydrophobicContact CG-CE1 4.26Å; R171-E193 HydrophobicContact CG-CG 4.25Å; R171-E193 IonicContact CZ-OE1 3.45Å; R171-E193 IonicContact NE-OE1 3.36Å; R171-E193 PolarHBondContact NE-OE1 3.12Å; R171-E193 IonicContact NH2-OE1 2.72Å; R171-E193 PolarHBondContact NH2-OE1 2.77Å
172	S	97.7	Very high	94.5	Very high	47 Å²	47	63.1 Å²	63.1	33%	0.329	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	122	177.1	-178.5	0	0	0	0	108.9	E140 Q142	E140-S172 WeakPolarHBondContact O-CA 3.07Å; E140-S172 WeakPolarHBondContact OE2-CB 3.42Å; E140-S172 PolarHBondContact OE2-OG 2.88Å; Q142-S172 PolarHBondContact NE2-OG 3.49Å
173	Q	97.7	Very high	94.6	Very high	87 Å²	87	57 Å²	57	41%	0.407	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.3	-177.8	-175.8	172.3	8.3	0	0	109.2	E140 L141 Q142 V185 F189	E140-Q173 PolarHBondContact O-N 2.88Å; L141-Q173 WeakPolarHBondContact CA-O 3.34Å; Q142-Q173 PolarHBondContact N-O 2.96Å; Q173-V185 HydrophobicContact CB-CG1 3.76Å; Q173-V185 HydrophobicContact CG-CG1 4.04Å; Q173-V185 HydrophobicContact CG-CG2 4.31Å; Q173-F189 HydrophobicContact CB-CE1 3.95Å; Q173-F189 HydrophobicContact CB-CZ 3.53Å
174	S	96	Very high	95	Very high	17 Å²	17	54.8 Å²	54.8	12%	0.119	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133	178.4	-174.4	0	0	0	0	111.7	Q142 G143 D176 V185	Q142-S174 CarbonylContact O-C 3.56Å; Q142-S174 VanDerWaalsContact O-CA 3.31Å; Q142-S174 WeakPolarHBondContact O-CA 3.43Å; Q142-S174 PolarHBondContact O-OG 3.39Å; G143-S174 WeakPolarHBondContact O-CB 3.3Å; G143-S174 PolarHBondContact O-OG 3.23Å; S174-D176 PolarHBondContact OG-N 3.37Å; S174-D176 VanDerWaalsContact OG-N 3.13Å; S174-D176 PolarHBondContact OG-OD1 3.2Å; S174-V185 WeakPolarHBondContact O-CG2 3.16Å
175	G	93.9	Very high	95.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.			trans	-103.9	12.6	165.3	0	0	0	0	0	112.9	Q142 F177 T178 K181 M209	Q142-G175 PolarHBondContact O-N 3.39Å; G175-F177 PolarHBondContact O-N 2.95Å; G175-T178 PolarHBondContact O-N 2.76Å; G175-T178 PolarHBondContact O-OG1 3.46Å; G175-K181 WeakPolarHBondContact O-CB 3.42Å; G175-M209 VanDerWaalsContact C-SD 3.52Å; G175-M209 VanDerWaalsContact CA-SD 3.5Å
176	D	89.9	Confident	95.4	Very high	65 Å²	65	49.3 Å²	49.3	35%	0.348	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	26.4	176	-62.9	-44.7	0	0	0	115.2	S174 T178	S174-D176 PolarHBondContact OG-N 3.37Å; S174-D176 VanDerWaalsContact OG-N 3.13Å; S174-D176 PolarHBondContact OG-OD1 3.2Å; D176-T178 PolarHBondContact O-N 3.38Å; D176-T178 VanDerWaalsContact O-N 3.16Å
177	F	90.6	Very high	95.5	Very high	7 Å²	7	50.2 Å²	50.2	3%	0.031	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	10.1	-172.4	-63.6	-68.2	0	0	0	115.7	E20 G143 T144 A147 V149 A150 G175 H205 N206 M209	E20-F177 HydrophobicContact CG-CB 4.4Å; G143-F177 VanDerWaalsContact CA-CE2 3.45Å; T144-F177 VanDerWaalsContact N-CE2 3.31Å; T144-F177 WeakPolarHBondContact OG1-CD2 3.45Å; A147-F177 HydrophobicContact CB-CE2 4.33Å; V149-F177 HydrophobicContact CB-CZ 4.32Å; V149-F177 HydrophobicContact CG2-CE2 3.85Å; V149-F177 HydrophobicContact CG2-CZ 3.47Å; V149-F177 VanDerWaalsContact CG2-CZ 3.47Å; A150-F177 HydrophobicContact CB-CZ 4.28Å; G175-F177 PolarHBondContact O-N 2.95Å; F177-H205 HydrophobicContact CE1-CB 3.9Å; F177-N206 HydrophobicContact CD1-CB 3.9Å; F177-N206 HydrophobicContact CE1-CB 4.43Å; F177-N206 PolarHBondContact O-ND2 3.49Å; F177-M209 HydrophobicContact CD1-CE 3.94Å; F177-M209 HydrophobicContact CE1-CE 4.47Å; F177-M209 PolarHBondContact N-SD 2.74Å
178	T	90.2	Very high	95.5	Very high	30 Å²	30	52.6 Å²	52.6	18%	0.184	26%	0.264	C	S	.	.			trans	-103	146.8	-176.3	68.2	0	0	0	0	112.9	E20 G175 D176 S180 K181 G182 M209	E20-T178 HydrophobicContact CB-CG2 4.12Å; G175-T178 PolarHBondContact O-N 2.76Å; G175-T178 PolarHBondContact O-OG1 3.46Å; D176-T178 PolarHBondContact O-N 3.38Å; D176-T178 VanDerWaalsContact O-N 3.16Å; T178-S180 PolarHBondContact O-N 3.49Å; T178-K181 WeakPolarHBondContact OG1-CB 3.45Å; T178-K181 PolarHBondContact OG1-N 3.42Å; T178-G182 PolarHBondContact O-N 2.76Å; T178-M209 WeakPolarHBondContact O-CG 3.39Å
179	R	91.4	Very high	95.6	Very high	87 Å²	87	46.9 Å²	46.9	33%	0.328	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-44.2	175.8	-171	176.9	-61.8	-165.9	1.6	112.8	K183 D208 I211 G212 D238	R179-K183 PolarHBondContact O-N 2.94Å; R179-D208 VanDerWaalsContact CA-O 3.27Å; R179-D208 WeakPolarHBondContact CA-O 3.48Å; R179-D208 HydrophobicContact CB-CB 4.38Å; R179-D208 WeakPolarHBondContact CB-O 3.15Å; R179-D208 WeakPolarHBondContact CG-O 3.48Å; R179-D208 IonicContact CZ-OD1 3.6Å; R179-D208 IonicContact NE-OD1 3.26Å; R179-D208 PolarHBondContact NE-OD1 3.45Å; R179-D208 IonicContact NH2-OD1 3.8Å; R179-D208 PolarHBondContact NH2-OD1 2.78Å; R179-I211 HydrophobicContact CG-CG2 4.45Å; R179-G212 WeakPolarHBondContact O-CA 3.48Å; R179-D238 IonicContact CZ-OD2 2.69Å; R179-D238 IonicContact NH1-OD2 3.95Å; R179-D238 PolarHBondContact NH1-OD2 3.43Å; R179-D238 IonicContact NH2-OD2 3.03Å; R179-D238 PolarHBondContact NH2-OD2 3.47Å
180	S	92.3	Very high	95.6	Very high	93 Å²	93	44.3 Å²	44.3	65%	0.65	23%	0.226	S	C	*	.	H	α-helix	trans	-64.2	-46.1	-178.8	51	0	0	0	0	112.2	T178 K183 E184	T178-S180 PolarHBondContact O-N 3.49Å; S180-K183 WeakPolarHBondContact O-CB 3.35Å; S180-K183 PolarHBondContact O-N 2.99Å; S180-E184 PolarHBondContact O-N 3.47Å; S180-E184 VanDerWaalsContact O-N 3.07Å
181	K	92.9	Very high	95.5	Very high	54 Å²	54	49.1 Å²	49.1	24%	0.235	25%	0.245	C	C	.	.	H	α-helix	trans	-74.4	-35.6	179.6	-166.3	71.1	-175.9	173.1	0	112.1	G175 T178 K183 E184 V185	G175-K181 WeakPolarHBondContact O-CB 3.42Å; T178-K181 WeakPolarHBondContact OG1-CB 3.45Å; T178-K181 PolarHBondContact OG1-N 3.42Å; K181-K183 VanDerWaalsContact C-N 3.28Å; K181-K183 PolarHBondContact O-N 3.28Å; K181-E184 VanDerWaalsContact CD-OE2 3.3Å; K181-E184 WeakPolarHBondContact CD-OE2 3.41Å; K181-E184 IonicContact NZ-OE1 3.43Å; K181-E184 PolarHBondContact NZ-OE1 3.41Å; K181-E184 IonicContact NZ-OE2 3.62Å; K181-E184 PolarHBondContact NZ-OE2 3.44Å; K181-E184 PolarHBondContact O-N 2.77Å; K181-V185 HydrophobicContact CG-CG2 4.23Å; K181-V185 WeakPolarHBondContact O-CB 3.45Å; K181-V185 VanDerWaalsContact O-CG2 3.27Å; K181-V185 WeakPolarHBondContact O-CG2 3.4Å; K181-V185 PolarHBondContact O-N 2.92Å
182	G	96.1	Very high	95.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.3	-43.6	170.1	0	0	0	0	0	112.3	T178 M186	T178-G182 PolarHBondContact O-N 2.76Å; G182-M186 VanDerWaalsContact O-CB 3.32Å; G182-M186 WeakPolarHBondContact O-CB 3.34Å; G182-M186 PolarHBondContact O-N 3.48Å
183	K	97.8	Very high	95.3	Very high	40 Å²	40	45 Å²	45	17%	0.174	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-54.3	172.6	-173.1	-174.7	179.1	-173.6	0	112.1	R179 S180 K181 V185 M186 E187 G212 Q215 A216 E219	R179-K183 PolarHBondContact O-N 2.94Å; S180-K183 WeakPolarHBondContact O-CB 3.35Å; S180-K183 PolarHBondContact O-N 2.99Å; K181-K183 VanDerWaalsContact C-N 3.28Å; K181-K183 PolarHBondContact O-N 3.28Å; K183-V185 VanDerWaalsContact C-N 3.33Å; K183-V185 PolarHBondContact O-N 3.4Å; K183-M186 PolarHBondContact O-N 2.77Å; K183-E187 WeakPolarHBondContact CE-OE1 3.34Å; K183-E187 IonicContact NZ-OE1 3.3Å; K183-E187 WeakPolarHBondContact O-CG 3.34Å; K183-E187 PolarHBondContact O-N 3.4Å; K183-G212 WeakPolarHBondContact CA-O 3.36Å; K183-G212 WeakPolarHBondContact CB-O 3.48Å; K183-G212 WeakPolarHBondContact CG-O 3.11Å; K183-Q215 HydrophobicContact CD-CG 4.22Å; K183-Q215 VanDerWaalsContact NZ-NE2 3.12Å; K183-A216 HydrophobicContact CG-CB 4.04Å; K183-E219 WeakPolarHBondContact CE-OE2 3.46Å; K183-E219 IonicContact NZ-OE1 2.73Å; K183-E219 PolarHBondContact NZ-OE1 3.4Å; K183-E219 IonicContact NZ-OE2 3.38Å; K183-E219 PolarHBondContact NZ-OE2 3.27Å
184	E	97.6	Very high	95.2	Very high	104 Å²	104	45.3 Å²	45.3	49%	0.486	24%	0.24	S	C	.	.	H	α-helix	trans	-56	-45.7	-178.4	-172.2	-161.5	138.2	0	0	112.2	S180 K181 E187 S188	S180-E184 PolarHBondContact O-N 3.47Å; S180-E184 VanDerWaalsContact O-N 3.07Å; K181-E184 VanDerWaalsContact CD-OE2 3.3Å; K181-E184 WeakPolarHBondContact CD-OE2 3.41Å; K181-E184 IonicContact NZ-OE1 3.43Å; K181-E184 PolarHBondContact NZ-OE1 3.41Å; K181-E184 IonicContact NZ-OE2 3.62Å; K181-E184 PolarHBondContact NZ-OE2 3.44Å; K181-E184 PolarHBondContact O-N 2.77Å; E184-E187 PolarHBondContact O-N 3.29Å; E184-S188 PolarHBondContact O-N 2.79Å; E184-S188 VanDerWaalsContact O-N 3.14Å
185	V	97.9	Very high	95.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-40.6	179.8	176.5	0	0	0	0	110.8	L141 Q173 S174 K181 K183 E187 S188 F189	L141-V185 HydrophobicContact CD2-CB 3.73Å; L141-V185 HydrophobicContact CD2-CG1 3.31Å; Q173-V185 HydrophobicContact CB-CG1 3.76Å; Q173-V185 HydrophobicContact CG-CG1 4.04Å; Q173-V185 HydrophobicContact CG-CG2 4.31Å; S174-V185 WeakPolarHBondContact O-CG2 3.16Å; K181-V185 HydrophobicContact CG-CG2 4.23Å; K181-V185 WeakPolarHBondContact O-CB 3.45Å; K181-V185 VanDerWaalsContact O-CG2 3.27Å; K181-V185 WeakPolarHBondContact O-CG2 3.4Å; K181-V185 PolarHBondContact O-N 2.92Å; K183-V185 VanDerWaalsContact C-N 3.33Å; K183-V185 PolarHBondContact O-N 3.4Å; V185-E187 PolarHBondContact O-N 3.43Å; V185-S188 WeakPolarHBondContact O-CB 3.33Å; V185-S188 PolarHBondContact O-N 2.8Å; V185-F189 HydrophobicContact CG1-CD1 4.46Å; V185-F189 HydrophobicContact CG1-CD2 4.17Å; V185-F189 HydrophobicContact CG1-CE1 3.97Å; V185-F189 HydrophobicContact CG1-CE2 3.68Å; V185-F189 HydrophobicContact CG1-CZ 3.58Å; V185-F189 WeakPolarHBondContact O-CG 3.5Å; V185-F189 PolarHBondContact O-N 2.9Å
186	M	98.3	Very high	95	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-40.5	176.1	-170.9	63.1	-170.8	0	0	112	V139 G182 K183 S188 F189 I190 I199 V202 A213 A216 I217 I228	V139-M186 HydrophobicContact CG2-CE 4.17Å; V139-M186 HydrophobicContact CG2-SD 3.95Å; G182-M186 VanDerWaalsContact O-CB 3.32Å; G182-M186 WeakPolarHBondContact O-CB 3.34Å; G182-M186 PolarHBondContact O-N 3.48Å; K183-M186 PolarHBondContact O-N 2.77Å; M186-S188 VanDerWaalsContact C-N 3.28Å; M186-S188 PolarHBondContact O-N 3.29Å; M186-F189 PolarHBondContact O-N 2.99Å; M186-F189 HydrophobicContact SD-CD2 4.5Å; M186-I190 HydrophobicContact CE-CD1 4.09Å; M186-I190 HydrophobicContact CE-CG1 3.84Å; M186-I190 HydrophobicContact CG-CD1 3.95Å; M186-I190 HydrophobicContact CG-CG1 4.31Å; M186-I190 WeakPolarHBondContact O-CB 3.36Å; M186-I190 VanDerWaalsContact O-CG1 3.27Å; M186-I190 WeakPolarHBondContact O-CG1 3.5Å; M186-I190 PolarHBondContact O-N 3.48Å; M186-I199 HydrophobicContact CE-CD1 4.02Å; M186-V202 HydrophobicContact CE-CB 4.26Å; M186-V202 HydrophobicContact SD-CB 4.19Å; M186-V202 HydrophobicContact SD-CG2 4.02Å; M186-A213 HydrophobicContact CB-CB 3.87Å; M186-A213 HydrophobicContact CG-CB 3.75Å; M186-A213 HydrophobicContact SD-CB 4.31Å; M186-A216 HydrophobicContact CB-CB 3.88Å; M186-A216 HydrophobicContact CG-CB 3.95Å; M186-I217 HydrophobicContact CE-CD1 3.97Å; M186-I217 HydrophobicContact CE-CG1 3.75Å; M186-I217 HydrophobicContact CG-CG1 4.34Å; M186-I228 HydrophobicContact CE-CD1 3.99Å; M186-I228 HydrophobicContact CE-CG2 4.38Å
187	E	98.1	Very high	95.1	Very high	58 Å²	58	54 Å²	54	27%	0.271	28%	0.278	S	S	.	.	H	α-helix	trans	-58.5	-41	173.3	-72.4	176.8	-168.2	0	0	112.1	K183 E184 V185 K191 A216	K183-E187 WeakPolarHBondContact CE-OE1 3.34Å; K183-E187 IonicContact NZ-OE1 3.3Å; K183-E187 WeakPolarHBondContact O-CG 3.34Å; K183-E187 PolarHBondContact O-N 3.4Å; E184-E187 PolarHBondContact O-N 3.29Å; V185-E187 PolarHBondContact O-N 3.43Å; E187-K191 VanDerWaalsContact O-CG 3.3Å; E187-K191 WeakPolarHBondContact O-CG 3.4Å; E187-K191 PolarHBondContact O-N 2.98Å; E187-A216 HydrophobicContact CG-CB 3.76Å
188	S	97.8	Very high	95.3	Very high	60 Å²	60	57.2 Å²	57.2	42%	0.42	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-45.5	175.1	-175.5	0	0	0	0	111.5	E184 V185 M186 K191 A192	E184-S188 PolarHBondContact O-N 2.79Å; E184-S188 VanDerWaalsContact O-N 3.14Å; V185-S188 WeakPolarHBondContact O-CB 3.33Å; V185-S188 PolarHBondContact O-N 2.8Å; M186-S188 VanDerWaalsContact C-N 3.28Å; M186-S188 PolarHBondContact O-N 3.29Å; S188-K191 PolarHBondContact O-N 3.5Å; S188-A192 WeakPolarHBondContact O-CB 3.41Å; S188-A192 PolarHBondContact O-N 3.02Å
189	F	98.3	Very high	95.7	Very high	8 Å²	8	56 Å²	56	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-44.1	176.9	-67.7	-13.9	0	0	0	112.7	V139 L141 R171 Q173 V185 M186 K191 A192 E193 I199	V139-F189 HydrophobicContact CB-CD2 3.6Å; V139-F189 HydrophobicContact CB-CE2 3.99Å; V139-F189 HydrophobicContact CB-CG 4.31Å; V139-F189 HydrophobicContact CG1-CB 4.35Å; V139-F189 HydrophobicContact CG1-CD2 4.18Å; V139-F189 HydrophobicContact CG1-CG 4.41Å; V139-F189 HydrophobicContact CG2-CD2 3.9Å; L141-F189 HydrophobicContact CD2-CD2 4.2Å; L141-F189 HydrophobicContact CD2-CE2 3.77Å; R171-F189 HydrophobicContact CB-CD1 3.81Å; R171-F189 HydrophobicContact CB-CD2 4.36Å; R171-F189 HydrophobicContact CB-CE1 3.61Å; R171-F189 HydrophobicContact CB-CE2 4.15Å; R171-F189 HydrophobicContact CB-CG 4.17Å; R171-F189 HydrophobicContact CB-CZ 3.76Å; R171-F189 HydrophobicContact CG-CD1 4.08Å; R171-F189 HydrophobicContact CG-CE1 4.26Å; Q173-F189 HydrophobicContact CB-CE1 3.95Å; Q173-F189 HydrophobicContact CB-CZ 3.53Å; V185-F189 HydrophobicContact CG1-CD1 4.46Å; V185-F189 HydrophobicContact CG1-CD2 4.17Å; V185-F189 HydrophobicContact CG1-CE1 3.97Å; V185-F189 HydrophobicContact CG1-CE2 3.68Å; V185-F189 HydrophobicContact CG1-CZ 3.58Å; V185-F189 WeakPolarHBondContact O-CG 3.5Å; V185-F189 PolarHBondContact O-N 2.9Å; M186-F189 PolarHBondContact O-N 2.99Å; M186-F189 HydrophobicContact SD-CD2 4.5Å; F189-K191 VanDerWaalsContact C-N 3.32Å; F189-K191 PolarHBondContact O-N 3.27Å; F189-A192 PolarHBondContact O-N 3.49Å; F189-E193 WeakPolarHBondContact O-CB 3.5Å; F189-E193 WeakPolarHBondContact O-CG 3.34Å; F189-E193 PolarHBondContact O-N 3.24Å; F189-I199 HydrophobicContact CB-CD1 4.31Å
190	I	97.6	Very high	96	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-57	-48.2	176.2	-71.7	169.1	0	0	0	110	M186 A192 E193 N195 G196 I199 A216 I217 A220	M186-I190 HydrophobicContact CE-CD1 4.09Å; M186-I190 HydrophobicContact CE-CG1 3.84Å; M186-I190 HydrophobicContact CG-CD1 3.95Å; M186-I190 HydrophobicContact CG-CG1 4.31Å; M186-I190 WeakPolarHBondContact O-CB 3.36Å; M186-I190 VanDerWaalsContact O-CG1 3.27Å; M186-I190 WeakPolarHBondContact O-CG1 3.5Å; M186-I190 PolarHBondContact O-N 3.48Å; I190-A192 PolarHBondContact O-N 3.06Å; I190-E193 PolarHBondContact O-N 3.38Å; I190-N195 CarbonylContact O-C 3.58Å; I190-N195 WeakPolarHBondContact O-CA 3.3Å; I190-N195 PolarHBondContact O-N 2.94Å; I190-G196 PolarHBondContact O-N 3.39Å; I190-I199 HydrophobicContact CG1-CD1 4.42Å; I190-A216 HydrophobicContact CD1-CB 4.22Å; I190-I217 HydrophobicContact CD1-CG1 4.14Å; I190-A220 HydrophobicContact CD1-CB 4.03Å; I190-A220 HydrophobicContact CG2-CB 3.71Å
191	K	96.1	Very high	96.2	Very high	149 Å²	149	49 Å²	49	65%	0.648	25%	0.251	S	S	*	.	H	α-helix	trans	-62	-41.8	178	-72.5	168.4	-175.1	164.8	0	112.1	E187 S188 F189	E187-K191 VanDerWaalsContact O-CG 3.3Å; E187-K191 WeakPolarHBondContact O-CG 3.4Å; E187-K191 PolarHBondContact O-N 2.98Å; S188-K191 PolarHBondContact O-N 3.5Å; F189-K191 VanDerWaalsContact C-N 3.32Å; F189-K191 PolarHBondContact O-N 3.27Å
192	A	96	Very high	96.5	Very high	55 Å²	55	46.4 Å²	46.4	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-70	-31.2	-179.5	0	0	0	0	0	113.2	S188 F189 I190	S188-A192 WeakPolarHBondContact O-CB 3.41Å; S188-A192 PolarHBondContact O-N 3.02Å; F189-A192 PolarHBondContact O-N 3.49Å; I190-A192 PolarHBondContact O-N 3.06Å
193	E	96	Very high	96.6	Very high	22 Å²	22	46.4 Å²	46.4	10%	0.103	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	54.4	-170.4	-59	-54.9	145.6	0	0	112.5	I170 R171 F189 I190 G196 K197 N198 I199	I170-E193 HydrophobicContact CD1-CB 4.49Å; I170-E193 HydrophobicContact CD1-CG 3.78Å; R171-E193 HydrophobicContact CG-CG 4.25Å; R171-E193 IonicContact CZ-OE1 3.45Å; R171-E193 IonicContact NE-OE1 3.36Å; R171-E193 PolarHBondContact NE-OE1 3.12Å; R171-E193 IonicContact NH2-OE1 2.72Å; R171-E193 PolarHBondContact NH2-OE1 2.77Å; F189-E193 WeakPolarHBondContact O-CB 3.5Å; F189-E193 WeakPolarHBondContact O-CG 3.34Å; F189-E193 PolarHBondContact O-N 3.24Å; I190-E193 PolarHBondContact O-N 3.38Å; E193-G196 CarbonylContact O-C 3.59Å; E193-G196 PolarHBondContact O-N 2.96Å; E193-G196 VanDerWaalsContact O-N 3.14Å; E193-K197 PolarHBondContact O-N 2.88Å; E193-N198 HydrophobicContact CB-CB 4.21Å; E193-N198 PolarHBondContact O-N 3.37Å; E193-I199 HydrophobicContact CB-CD1 4.03Å; E193-I199 HydrophobicContact CB-CG1 3.7Å; E193-I199 HydrophobicContact CG-CD1 4.47Å; E193-I199 HydrophobicContact CG-CG1 4.25Å
194	N	94.2	Very high	96.6	Very high	92 Å²	92	44.5 Å²	44.5	49%	0.492	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	51.2	175.3	-169.8	27.1	0	0	0	113.4	G196 K197	N194-G196 PolarHBondContact O-N 2.71Å; N194-K197 WeakPolarHBondContact O-CB 3.37Å; N194-K197 PolarHBondContact O-N 2.83Å
195	N	93.6	Very high	96.5	Very high	108 Å²	108	39.6 Å²	39.6	58%	0.578	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	43.8	-173.5	-67.7	-22.6	0	0	0	112	I190 K197 L222	I190-N195 CarbonylContact O-C 3.58Å; I190-N195 WeakPolarHBondContact O-CA 3.3Å; I190-N195 PolarHBondContact O-N 2.94Å; N195-K197 PolarHBondContact O-N 3.22Å; N195-L222 WeakPolarHBondContact O-CD1 3.37Å
196	G	92.3	Very high	96.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-8	177.9	0	0	0	0	0	115.7	I190 E193 N194 N198 I199	I190-G196 PolarHBondContact O-N 3.39Å; E193-G196 CarbonylContact O-C 3.59Å; E193-G196 PolarHBondContact O-N 2.96Å; E193-G196 VanDerWaalsContact O-N 3.14Å; N194-G196 PolarHBondContact O-N 2.71Å; G196-N198 PolarHBondContact O-N 2.85Å; G196-I199 WeakPolarHBondContact O-CB 3.48Å; G196-I199 PolarHBondContact O-N 3.39Å
197	K	92.1	Very high	96	Very high	156 Å²	156	39.5 Å²	39.5	68%	0.678	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.4	-178.6	-67.5	-178.6	178.1	178.5	0	114.1	E193 N194 N195 I199	E193-K197 PolarHBondContact O-N 2.88Å; N194-K197 WeakPolarHBondContact O-CB 3.37Å; N194-K197 PolarHBondContact O-N 2.83Å; N195-K197 PolarHBondContact O-N 3.22Å; K197-I199 VanDerWaalsContact C-N 3.32Å
198	N	95.3	Very high	95.7	Very high	74 Å²	74	37.4 Å²	37.4	40%	0.396	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.7	176.8	-69.3	-5.5	0	0	0	112.7	N137 E193 G196	N137-N198 WeakPolarHBondContact CB-O 3.46Å; N137-N198 PolarHBondContact ND2-O 2.91Å; E193-N198 HydrophobicContact CB-CB 4.21Å; E193-N198 PolarHBondContact O-N 3.37Å; G196-N198 PolarHBondContact O-N 2.85Å
199	I	98	Very high	95.6	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	18%	0.179	C	C	.	.			trans	-95.2	123.7	-180	-54.4	176.6	0	0	0	107.9	V139 M186 F189 I190 E193 G196 K197 M201 I228	V139-I199 HydrophobicContact CG1-CD1 3.88Å; V139-I199 HydrophobicContact CG1-CG1 3.92Å; V139-I199 HydrophobicContact CG1-CG2 4.03Å; V139-I199 HydrophobicContact CG2-CD1 4.27Å; V139-I199 HydrophobicContact CG2-CG2 3.77Å; M186-I199 HydrophobicContact CE-CD1 4.02Å; F189-I199 HydrophobicContact CB-CD1 4.31Å; I190-I199 HydrophobicContact CG1-CD1 4.42Å; E193-I199 HydrophobicContact CB-CD1 4.03Å; E193-I199 HydrophobicContact CB-CG1 3.7Å; E193-I199 HydrophobicContact CG-CD1 4.47Å; E193-I199 HydrophobicContact CG-CG1 4.25Å; G196-I199 WeakPolarHBondContact O-CB 3.48Å; G196-I199 PolarHBondContact O-N 3.39Å; K197-I199 VanDerWaalsContact C-N 3.32Å; I199-M201 WeakPolarHBondContact CG2-O 3.15Å; I199-I228 HydrophobicContact CB-CD1 4.05Å; I199-I228 HydrophobicContact CB-CG1 4.28Å; I199-I228 HydrophobicContact CG2-CD1 4.24Å; I199-I228 HydrophobicContact CG2-CG1 4.35Å; I199-I228 HydrophobicContact CG2-CG2 3.94Å
200	C	97.4	Very high	95.5	Very high	33 Å²	33	34.2 Å²	34.2	22%	0.223	18%	0.178	C	C	.	.			trans	-89.9	-38.4	173	163.2	0	0	0	0	111.3	C136 N137 L229	C136-C200 VanDerWaalsContact CA-SG 3.53Å; C136-C200 HydrophobicContact CB-CB 3.77Å; C136-C200 WeakPolarHBondContact CB-SG 3.21Å; C136-C200 WeakPolarHBondContact SG-CB 3.45Å; C136-C200 CovalentContact SG-SG 2.04Å; C136-C200 PolarHBondContact SG-SG 2.78Å; N137-C200 WeakPolarHBondContact O-CB 3.48Å; N137-C200 PolarHBondContact O-N 2.95Å; C200-L229 PolarHBondContact O-N 3.38Å
201	M	98	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145.6	-177.3	-175.2	-165.1	172.9	0	0	111.8	I123 W126 L127 N137 V138 V139 I199 L229 G231	I123-M201 HydrophobicContact CG2-CE 3.85Å; W126-M201 HydrophobicContact CE3-CE 4.26Å; W126-M201 HydrophobicContact CZ3-CE 3.62Å; W126-M201 HydrophobicContact CZ3-SD 4.03Å; L127-M201 HydrophobicContact CB-SD 4.2Å; L127-M201 HydrophobicContact CD1-CB 4.36Å; L127-M201 HydrophobicContact CD1-CG 4.42Å; L127-M201 HydrophobicContact CD1-SD 3.5Å; L127-M201 VanDerWaalsContact CD1-SD 3.5Å; L127-M201 HydrophobicContact CD2-SD 3.59Å; L127-M201 VanDerWaalsContact CD2-SD 3.59Å; L127-M201 HydrophobicContact CG-SD 3.93Å; N137-M201 PolarHBondContact O-N 2.7Å; V138-M201 CarbonylContact C-O 3.58Å; V138-M201 WeakPolarHBondContact CA-O 3.47Å; V138-M201 HydrophobicContact CG2-CB 4.36Å; V139-M201 PolarHBondContact N-O 3.28Å; I199-M201 WeakPolarHBondContact CG2-O 3.15Å; M201-L229 CarbonylContact C-O 3.57Å; M201-L229 WeakPolarHBondContact CA-O 3.24Å; M201-L229 HydrophobicContact CB-CB 3.97Å; M201-L229 HydrophobicContact CG-CB 3.88Å; M201-L229 WeakPolarHBondContact CG-O 2.98Å; M201-G231 VanDerWaalsContact CE-CA 3.41Å
202	V	98.4	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125	158.3	57.9	0	0	0	0	110.4	V139 L141 M186 V210 A213 I217 I228 L229 T230 G231	V139-V202 HydrophobicContact CG2-CB 3.88Å; V139-V202 HydrophobicContact CG2-CG2 4.06Å; V139-V202 WeakPolarHBondContact O-CA 3.24Å; L141-V202 HydrophobicContact CD1-CG2 3.8Å; L141-V202 HydrophobicContact CG-CG2 3.98Å; M186-V202 HydrophobicContact CE-CB 4.26Å; M186-V202 HydrophobicContact SD-CB 4.19Å; M186-V202 HydrophobicContact SD-CG2 4.02Å; V202-V210 HydrophobicContact CG1-CG2 4.38Å; V202-A213 HydrophobicContact CG1-CB 4.4Å; V202-A213 HydrophobicContact CG2-CB 4.24Å; V202-I217 HydrophobicContact CG1-CD1 4.21Å; V202-I228 HydrophobicContact CB-CG2 4.47Å; V202-I228 HydrophobicContact CG1-CG2 4.18Å; V202-L229 PolarHBondContact N-O 2.81Å; V202-T230 HydrophobicContact CG1-CG2 3.92Å; V202-G231 PolarHBondContact O-N 3.25Å
203	Y	98.2	Very high	95.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.1	169.2	170.2	-130.7	0	0	0	108.9	G120 I123 V139 E140 L141 R153 F157 H205 G231 I233	G120-Y203 WeakPolarHBondContact CA-OH 3.24Å; I123-Y203 HydrophobicContact CB-CD2 4.4Å; I123-Y203 HydrophobicContact CB-CE2 4.09Å; I123-Y203 HydrophobicContact CG1-CE2 4.29Å; I123-Y203 HydrophobicContact CG2-CD2 3.7Å; I123-Y203 HydrophobicContact CG2-CE2 3.9Å; V139-Y203 PolarHBondContact O-N 2.9Å; E140-Y203 CarbonylContact C-O 3.55Å; E140-Y203 VanDerWaalsContact CA-O 3.32Å; E140-Y203 WeakPolarHBondContact CA-O 3.46Å; E140-Y203 HydrophobicContact CG-CD1 3.95Å; E140-Y203 HydrophobicContact CG-CE1 4.48Å; L141-Y203 PolarHBondContact N-O 3.25Å; R153-Y203 WeakPolarHBondContact CB-OH 3.46Å; R153-Y203 PolarHBondContact O-OH 3.24Å; F157-Y203 HydrophobicContact CB-CD1 4.13Å; F157-Y203 HydrophobicContact CB-CE1 3.52Å; F157-Y203 AromaticContact CD1-CD1 3.91Å; F157-Y203 HydrophobicContact CD1-CD1 3.91Å; F157-Y203 HydrophobicContact CD1-CE1 4.18Å; F157-Y203 AromaticContact CD2-CD1 3.75Å; F157-Y203 HydrophobicContact CD2-CD1 3.75Å; F157-Y203 HydrophobicContact CD2-CD2 4.19Å; F157-Y203 AromaticContact CD2-CE1 3.82Å; F157-Y203 HydrophobicContact CD2-CE1 3.82Å; F157-Y203 HydrophobicContact CD2-CE2 4.24Å; F157-Y203 AromaticContact CD2-CG 3.95Å; F157-Y203 HydrophobicContact CD2-CG 3.95Å; F157-Y203 HydrophobicContact CE1-CD1 4.25Å; F157-Y203 HydrophobicContact CE2-CD1 4.12Å; F157-Y203 HydrophobicContact CE2-CD2 4.34Å; F157-Y203 AromaticContact CE2-CG 3.97Å; F157-Y203 HydrophobicContact CE2-CG 3.97Å; F157-Y203 AromaticContact CG-CD1 3.65Å; F157-Y203 HydrophobicContact CG-CD1 3.65Å; F157-Y203 AromaticContact CG-CE1 3.57Å; F157-Y203 HydrophobicContact CG-CE1 3.57Å; F157-Y203 HydrophobicContact CG-CG 4.31Å; F157-Y203 HydrophobicContact CZ-CD1 4.35Å; F157-Y203 HydrophobicContact CZ-CG 4.34Å; Y203-H205 AromaticContact CE1-CD2 3.55Å; Y203-H205 AromaticContact CE1-NE2 3.68Å; Y203-H205 AromaticContact CZ-CD2 3.69Å; Y203-G231 WeakPolarHBondContact CA-O 3.36Å; Y203-I233 HydrophobicContact CE2-CD1 4.12Å
204	A	97.9	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.8	172.8	0	0	0	0	0	111.5	L141 N206 M209 V210 G231 S232	L141-A204 HydrophobicContact CB-CB 3.92Å; L141-A204 HydrophobicContact CD1-CB 4.35Å; L141-A204 WeakPolarHBondContact O-CA 3.32Å; A204-N206 WeakPolarHBondContact CB-O 3.28Å; A204-N206 PolarHBondContact O-N 3.26Å; A204-M209 HydrophobicContact CB-CB 3.9Å; A204-M209 HydrophobicContact CB-CE 4.41Å; A204-V210 HydrophobicContact CB-CB 3.98Å; A204-V210 HydrophobicContact CB-CG2 3.49Å; A204-V210 VanDerWaalsContact CB-CG2 3.49Å; A204-G231 PolarHBondContact N-O 3.18Å; A204-S232 WeakPolarHBondContact O-CA 3.23Å
205	H	95.9	Very high	95.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-71.4	-9.4	177.3	-65.5	179.9	0	0	0	113.4	E140 L141 Q142 G143 A150 R153 F177 Y203 M209	E140-H205 IonicContact OE1-CD2 3.62Å; E140-H205 IonicContact OE1-CE1 2.84Å; E140-H205 IonicContact OE1-NE2 3.52Å; E140-H205 PolarHBondContact OE1-NE2 3.35Å; L141-H205 PolarHBondContact O-N 3.28Å; Q142-H205 WeakPolarHBondContact CA-ND1 3.5Å; G143-H205 PolarHBondContact N-ND1 3.44Å; G143-H205 VanDerWaalsContact N-ND1 3.11Å; A150-H205 WeakPolarHBondContact CA-ND1 3.36Å; A150-H205 PolarHBondContact O-CE1 3.49Å; R153-H205 WeakPolarHBondContact CD-O 3.3Å; R153-H205 PolarHBondContact NH1-O 3.03Å; F177-H205 HydrophobicContact CE1-CB 3.9Å; Y203-H205 AromaticContact CE1-CD2 3.55Å; Y203-H205 AromaticContact CE1-NE2 3.68Å; Y203-H205 AromaticContact CZ-CD2 3.69Å; H205-M209 HydrophobicContact CB-CE 3.93Å
206	N	93.1	Very high	95.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.095	C	C	.	.	S	Bend	trans	-148.4	167.4	166.3	75.6	-19.9	0	0	0	112.5	F177 A204 M209 V210 I233 D234	F177-N206 HydrophobicContact CD1-CB 3.9Å; F177-N206 HydrophobicContact CE1-CB 4.43Å; F177-N206 PolarHBondContact O-ND2 3.49Å; A204-N206 WeakPolarHBondContact CB-O 3.28Å; A204-N206 PolarHBondContact O-N 3.26Å; N206-M209 VanDerWaalsContact OD1-CB 3.26Å; N206-M209 WeakPolarHBondContact OD1-CB 3.38Å; N206-M209 WeakPolarHBondContact OD1-CE 3.41Å; N206-M209 WeakPolarHBondContact OD1-CG 3.37Å; N206-M209 PolarHBondContact OD1-N 3.2Å; N206-M209 VanDerWaalsContact OD1-N 3.13Å; N206-V210 PolarHBondContact O-N 2.89Å; N206-I233 CarbonylContact C-O 3.58Å; N206-I233 WeakPolarHBondContact CA-O 3.29Å; N206-D234 VanDerWaalsContact CB-OD2 3.24Å; N206-D234 WeakPolarHBondContact CB-OD2 3.41Å
207	D	92	Very high	96.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.6	-40.3	179.4	-69.9	-29.3	0	0	0	113.7	M209 V210 I211 S232 I233 G235 V236 I239 T251	D207-M209 VanDerWaalsContact C-N 3.28Å; D207-M209 PolarHBondContact O-N 3.45Å; D207-V210 CarbonylContact O-C 3.49Å; D207-V210 PolarHBondContact O-N 3.4Å; D207-I211 HydrophobicContact CB-CD1 4.48Å; D207-I211 WeakPolarHBondContact O-CD1 3.44Å; D207-I211 VanDerWaalsContact O-CG1 3.3Å; D207-I211 WeakPolarHBondContact O-CG1 3.47Å; D207-I211 PolarHBondContact O-N 3.23Å; D207-S232 WeakPolarHBondContact OD1-CB 3.18Å; D207-S232 PolarHBondContact OD1-OG 2.94Å; D207-I233 PolarHBondContact N-O 3.05Å; D207-G235 VanDerWaalsContact OD2-CA 3.3Å; D207-G235 WeakPolarHBondContact OD2-CA 3.31Å; D207-G235 PolarHBondContact OD2-N 2.85Å; D207-V236 HydrophobicContact CB-CB 4.39Å; D207-V236 HydrophobicContact CB-CG1 4.27Å; D207-V236 HydrophobicContact CB-CG2 3.44Å; D207-V236 VanDerWaalsContact CB-CG2 3.44Å; D207-V236 PolarHBondContact OD2-N 3.01Å; D207-I239 HydrophobicContact CB-CB 4.01Å; D207-I239 HydrophobicContact CB-CG1 4.44Å; D207-I239 HydrophobicContact CB-CG2 4.28Å; D207-I239 VanDerWaalsContact CG-CG2 3.46Å; D207-I239 WeakPolarHBondContact OD2-CG2 3.39Å; D207-T251 PolarHBondContact OD1-OG1 3.27Å; D207-T251 PolarHBondContact OD2-OG1 3.07Å
208	D	91.2	Very high	96.4	Very high	14 Å²	14	16.5 Å²	16.5	8%	0.075	8%	0.083	C	C	.	.	H	α-helix	trans	-58.4	-41	-178.2	-86.4	-54.5	0	0	0	112	G22 R179 I211 G212	G22-D208 PolarHBondContact N-OD2 3.35Å; R179-D208 VanDerWaalsContact CA-O 3.27Å; R179-D208 WeakPolarHBondContact CA-O 3.48Å; R179-D208 HydrophobicContact CB-CB 4.38Å; R179-D208 WeakPolarHBondContact CB-O 3.15Å; R179-D208 WeakPolarHBondContact CG-O 3.48Å; R179-D208 IonicContact CZ-OD1 3.6Å; R179-D208 IonicContact NE-OD1 3.26Å; R179-D208 PolarHBondContact NE-OD1 3.45Å; R179-D208 IonicContact NH2-OD1 3.8Å; R179-D208 PolarHBondContact NH2-OD1 2.78Å; D208-I211 PolarHBondContact O-N 3.01Å; D208-G212 PolarHBondContact O-N 3.46Å; D208-G212 VanDerWaalsContact O-N 3.09Å
209	M	96	Very high	96.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66	-41	174.4	-74.7	-172.8	-62.2	0	0	112.4	L141 Q142 G175 F177 T178 A204 H205 N206 D207 I211 G212 A213	L141-M209 HydrophobicContact CB-SD 4.29Å; L141-M209 HydrophobicContact CD1-CB 4.43Å; L141-M209 WeakPolarHBondContact O-CE 3.49Å; Q142-M209 VanDerWaalsContact O-SD 3.42Å; G175-M209 VanDerWaalsContact C-SD 3.52Å; G175-M209 VanDerWaalsContact CA-SD 3.5Å; F177-M209 HydrophobicContact CD1-CE 3.94Å; F177-M209 HydrophobicContact CE1-CE 4.47Å; F177-M209 PolarHBondContact N-SD 2.74Å; T178-M209 WeakPolarHBondContact O-CG 3.39Å; A204-M209 HydrophobicContact CB-CB 3.9Å; A204-M209 HydrophobicContact CB-CE 4.41Å; H205-M209 HydrophobicContact CB-CE 3.93Å; N206-M209 VanDerWaalsContact OD1-CB 3.26Å; N206-M209 WeakPolarHBondContact OD1-CB 3.38Å; N206-M209 WeakPolarHBondContact OD1-CE 3.41Å; N206-M209 WeakPolarHBondContact OD1-CG 3.37Å; N206-M209 PolarHBondContact OD1-N 3.2Å; N206-M209 VanDerWaalsContact OD1-N 3.13Å; D207-M209 VanDerWaalsContact C-N 3.28Å; D207-M209 PolarHBondContact O-N 3.45Å; M209-I211 VanDerWaalsContact C-N 3.34Å; M209-G212 PolarHBondContact O-N 3.09Å; M209-A213 PolarHBondContact O-N 2.87Å
210	V	96.9	Very high	96.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.7	-35.8	176.7	134.7	0	0	0	0	111.4	V202 A204 N206 D207 G212 A213 I214 I239	V202-V210 HydrophobicContact CG1-CG2 4.38Å; A204-V210 HydrophobicContact CB-CB 3.98Å; A204-V210 HydrophobicContact CB-CG2 3.49Å; A204-V210 VanDerWaalsContact CB-CG2 3.49Å; N206-V210 PolarHBondContact O-N 2.89Å; D207-V210 CarbonylContact O-C 3.49Å; D207-V210 PolarHBondContact O-N 3.4Å; V210-G212 VanDerWaalsContact C-N 3.32Å; V210-G212 PolarHBondContact O-N 2.96Å; V210-A213 CarbonylContact O-C 3.59Å; V210-A213 WeakPolarHBondContact O-CA 3.37Å; V210-A213 WeakPolarHBondContact O-CB 3.42Å; V210-A213 PolarHBondContact O-N 3.17Å; V210-A213 VanDerWaalsContact O-N 3.11Å; V210-I214 HydrophobicContact CG1-CD1 3.91Å; V210-I214 HydrophobicContact CG1-CG1 4.41Å; V210-I214 WeakPolarHBondContact O-CB 3.15Å; V210-I214 VanDerWaalsContact O-CG1 3.28Å; V210-I214 WeakPolarHBondContact O-CG1 3.26Å; V210-I214 PolarHBondContact O-N 3.29Å; V210-I239 HydrophobicContact CG1-CD1 3.55Å
211	I	95.4	Very high	96.2	Very high	24 Å²	24	21.9 Å²	21.9	12%	0.123	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-41.8	174.6	-66.9	158.2	0	0	0	110.3	R179 D207 D208 M209 A213 I214 Q215 V236 D238 I239	R179-I211 HydrophobicContact CG-CG2 4.45Å; D207-I211 HydrophobicContact CB-CD1 4.48Å; D207-I211 WeakPolarHBondContact O-CD1 3.44Å; D207-I211 VanDerWaalsContact O-CG1 3.3Å; D207-I211 WeakPolarHBondContact O-CG1 3.47Å; D207-I211 PolarHBondContact O-N 3.23Å; D208-I211 PolarHBondContact O-N 3.01Å; M209-I211 VanDerWaalsContact C-N 3.34Å; I211-A213 VanDerWaalsContact C-N 3.32Å; I211-A213 PolarHBondContact O-N 2.84Å; I211-I214 PolarHBondContact O-N 3.37Å; I211-Q215 PolarHBondContact O-N 3.1Å; I211-Q215 VanDerWaalsContact O-N 3.13Å; I211-V236 HydrophobicContact CD1-CG2 4.02Å; I211-D238 HydrophobicContact CD1-CB 3.44Å; I211-D238 VanDerWaalsContact CD1-CB 3.44Å; I211-D238 HydrophobicContact CG1-CB 4.46Å; I211-I239 HydrophobicContact CG1-CD1 4.37Å
212	G	96.5	Very high	96.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-42.4	170.6	0	0	0	0	0	112.4	R179 K183 D208 M209 V210 Q215 A216	R179-G212 WeakPolarHBondContact O-CA 3.48Å; K183-G212 WeakPolarHBondContact CA-O 3.36Å; K183-G212 WeakPolarHBondContact CB-O 3.48Å; K183-G212 WeakPolarHBondContact CG-O 3.11Å; D208-G212 PolarHBondContact O-N 3.46Å; D208-G212 VanDerWaalsContact O-N 3.09Å; M209-G212 PolarHBondContact O-N 3.09Å; V210-G212 VanDerWaalsContact C-N 3.32Å; V210-G212 PolarHBondContact O-N 2.96Å; G212-Q215 WeakPolarHBondContact O-CB 3.24Å; G212-Q215 PolarHBondContact O-N 3.12Å; G212-A216 PolarHBondContact O-N 3.32Å; G212-A216 VanDerWaalsContact O-N 3.08Å
213	A	98	Very high	95.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-43.1	176.5	0	0	0	0	0	112.4	L141 M186 V202 M209 V210 I211 Q215 A216 I217	L141-A213 HydrophobicContact CD1-CB 3.81Å; M186-A213 HydrophobicContact CB-CB 3.87Å; M186-A213 HydrophobicContact CG-CB 3.75Å; M186-A213 HydrophobicContact SD-CB 4.31Å; V202-A213 HydrophobicContact CG1-CB 4.4Å; V202-A213 HydrophobicContact CG2-CB 4.24Å; M209-A213 PolarHBondContact O-N 2.87Å; V210-A213 CarbonylContact O-C 3.59Å; V210-A213 WeakPolarHBondContact O-CA 3.37Å; V210-A213 WeakPolarHBondContact O-CB 3.42Å; V210-A213 PolarHBondContact O-N 3.17Å; V210-A213 VanDerWaalsContact O-N 3.11Å; I211-A213 VanDerWaalsContact C-N 3.32Å; I211-A213 PolarHBondContact O-N 2.84Å; A213-Q215 VanDerWaalsContact C-N 3.26Å; A213-Q215 PolarHBondContact O-N 3.09Å; A213-A216 WeakPolarHBondContact O-CB 3.28Å; A213-A216 PolarHBondContact O-N 2.82Å; A213-A216 VanDerWaalsContact O-N 3.08Å; A213-I217 WeakPolarHBondContact O-CG1 3.27Å; A213-I217 PolarHBondContact O-N 3.21Å
214	I	97.5	Very high	95.8	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-55	-44.6	174.4	-75	169.8	0	0	0	110.1	V210 I211 I217 K218 P224 T230 A242 E247 A248	V210-I214 HydrophobicContact CG1-CD1 3.91Å; V210-I214 HydrophobicContact CG1-CG1 4.41Å; V210-I214 WeakPolarHBondContact O-CB 3.15Å; V210-I214 VanDerWaalsContact O-CG1 3.28Å; V210-I214 WeakPolarHBondContact O-CG1 3.26Å; V210-I214 PolarHBondContact O-N 3.29Å; I211-I214 PolarHBondContact O-N 3.37Å; I214-I217 PolarHBondContact O-N 2.63Å; I214-K218 HydrophobicContact CG2-CD 3.99Å; I214-K218 VanDerWaalsContact O-CG 3.3Å; I214-K218 WeakPolarHBondContact O-CG 3.14Å; I214-K218 PolarHBondContact O-N 3.45Å; I214-P224 HydrophobicContact CB-CB 4.36Å; I214-P224 HydrophobicContact CG1-CB 4.04Å; I214-P224 HydrophobicContact CG2-CB 4.13Å; I214-P224 HydrophobicContact CG2-CG 3.92Å; I214-T230 HydrophobicContact CG1-CG2 4.14Å; I214-A242 HydrophobicContact CD1-CB 3.93Å; I214-E247 HydrophobicContact CG2-CB 4.15Å; I214-E247 WeakPolarHBondContact CG2-OE2 3.4Å; I214-A248 HydrophobicContact CD1-CB 4.17Å
215	Q	96.9	Very high	95.4	Very high	85 Å²	85	30.2 Å²	30.2	40%	0.397	17%	0.169	S	C	.	.	H	α-helix	trans	-61.3	-47.1	175.1	-175.4	177.2	-1.8	0	0	111.9	K183 I211 G212 A213 I217 K218 E219	K183-Q215 HydrophobicContact CD-CG 4.22Å; K183-Q215 VanDerWaalsContact NZ-NE2 3.12Å; I211-Q215 PolarHBondContact O-N 3.1Å; I211-Q215 VanDerWaalsContact O-N 3.13Å; G212-Q215 WeakPolarHBondContact O-CB 3.24Å; G212-Q215 PolarHBondContact O-N 3.12Å; A213-Q215 VanDerWaalsContact C-N 3.26Å; A213-Q215 PolarHBondContact O-N 3.09Å; Q215-I217 VanDerWaalsContact C-N 3.34Å; Q215-I217 PolarHBondContact O-N 3.13Å; Q215-K218 PolarHBondContact O-N 3.49Å; Q215-E219 VanDerWaalsContact CG-OE1 3.31Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.45Å; Q215-E219 PolarHBondContact NE2-OE1 3.16Å; Q215-E219 WeakPolarHBondContact O-CG 3.19Å; Q215-E219 PolarHBondContact O-N 3.12Å
216	A	97.6	Very high	95.2	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-40.6	177.2	0	0	0	0	0	112.7	K183 M186 E187 I190 G212 A213 E219 A220	K183-A216 HydrophobicContact CG-CB 4.04Å; M186-A216 HydrophobicContact CB-CB 3.88Å; M186-A216 HydrophobicContact CG-CB 3.95Å; E187-A216 HydrophobicContact CG-CB 3.76Å; I190-A216 HydrophobicContact CD1-CB 4.22Å; G212-A216 PolarHBondContact O-N 3.32Å; G212-A216 VanDerWaalsContact O-N 3.08Å; A213-A216 WeakPolarHBondContact O-CB 3.28Å; A213-A216 PolarHBondContact O-N 2.82Å; A213-A216 VanDerWaalsContact O-N 3.08Å; A216-E219 PolarHBondContact O-N 3.3Å; A216-A220 WeakPolarHBondContact O-CB 3.46Å; A216-A220 PolarHBondContact O-N 2.91Å
217	I	98	Very high	95.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-45.5	177.2	-65.8	164	0	0	0	110.2	M186 I190 V202 A213 I214 Q215 A220 G221 L222 P224 I228	M186-I217 HydrophobicContact CE-CD1 3.97Å; M186-I217 HydrophobicContact CE-CG1 3.75Å; M186-I217 HydrophobicContact CG-CG1 4.34Å; I190-I217 HydrophobicContact CD1-CG1 4.14Å; V202-I217 HydrophobicContact CG1-CD1 4.21Å; A213-I217 WeakPolarHBondContact O-CG1 3.27Å; A213-I217 PolarHBondContact O-N 3.21Å; I214-I217 PolarHBondContact O-N 2.63Å; Q215-I217 VanDerWaalsContact C-N 3.34Å; Q215-I217 PolarHBondContact O-N 3.13Å; I217-A220 PolarHBondContact O-N 3.25Å; I217-G221 PolarHBondContact O-N 2.97Å; I217-L222 HydrophobicContact CG2-CB 3.6Å; I217-L222 PolarHBondContact O-N 3.16Å; I217-P224 HydrophobicContact CB-CB 4.29Å; I217-P224 HydrophobicContact CD1-CB 4.22Å; I217-P224 HydrophobicContact CG2-CB 3.96Å; I217-P224 HydrophobicContact CG2-CG 4.44Å; I217-I228 HydrophobicContact CD1-CB 4.14Å; I217-I228 HydrophobicContact CD1-CD1 4.45Å; I217-I228 HydrophobicContact CD1-CG2 3.97Å; I217-I228 HydrophobicContact CG1-CD1 4.14Å; I217-I228 HydrophobicContact CG2-CD1 4.37Å
218	K	96.5	Very high	95.6	Very high	101 Å²	101	41.8 Å²	41.8	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-43.8	177.4	-70.9	168.3	72.4	161.5	0	111.8	I214 Q215 A220 G221 P224 E247	I214-K218 HydrophobicContact CG2-CD 3.99Å; I214-K218 VanDerWaalsContact O-CG 3.3Å; I214-K218 WeakPolarHBondContact O-CG 3.14Å; I214-K218 PolarHBondContact O-N 3.45Å; Q215-K218 PolarHBondContact O-N 3.49Å; K218-A220 PolarHBondContact O-N 3.28Å; K218-G221 PolarHBondContact O-N 2.94Å; K218-P224 HydrophobicContact CD-CG 4.07Å; K218-P224 HydrophobicContact CG-CG 3.77Å; K218-E247 VanDerWaalsContact NZ-CD 3.3Å; K218-E247 IonicContact NZ-OE1 3.65Å; K218-E247 PolarHBondContact NZ-OE1 3.45Å; K218-E247 IonicContact NZ-OE2 3.35Å; K218-E247 PolarHBondContact NZ-OE2 2.97Å; K218-E247 VanDerWaalsContact NZ-OE2 3.09Å
219	E	96.6	Very high	95.8	Very high	110 Å²	110	42.3 Å²	42.3	51%	0.514	23%	0.226	S	C	.	.	H	α-helix	trans	-65.7	-26.9	177.6	-73.1	175.6	-166.1	0	0	112.4	K183 Q215 A216 G221	K183-E219 WeakPolarHBondContact CE-OE2 3.46Å; K183-E219 IonicContact NZ-OE1 2.73Å; K183-E219 PolarHBondContact NZ-OE1 3.4Å; K183-E219 IonicContact NZ-OE2 3.38Å; K183-E219 PolarHBondContact NZ-OE2 3.27Å; Q215-E219 VanDerWaalsContact CG-OE1 3.31Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.45Å; Q215-E219 PolarHBondContact NE2-OE1 3.16Å; Q215-E219 WeakPolarHBondContact O-CG 3.19Å; Q215-E219 PolarHBondContact O-N 3.12Å; A216-E219 PolarHBondContact O-N 3.3Å; E219-G221 PolarHBondContact O-N 3.08Å
220	A	94.7	Very high	95.9	Very high	47 Å²	47	42.3 Å²	42.3	39%	0.388	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.5	171.2	0	0	0	0	0	114.2	I190 A216 I217 K218 L222	I190-A220 HydrophobicContact CD1-CB 4.03Å; I190-A220 HydrophobicContact CG2-CB 3.71Å; A216-A220 WeakPolarHBondContact O-CB 3.46Å; A216-A220 PolarHBondContact O-N 2.91Å; I217-A220 PolarHBondContact O-N 3.25Å; K218-A220 PolarHBondContact O-N 3.28Å; A220-L222 VanDerWaalsContact C-N 3.34Å
221	G	94.3	Very high	95.7	Very high	67 Å²	67	42.3 Å²	42.3	69%	0.691	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	15.2	-179	0	0	0	0	0	114.7	I217 K218 E219	I217-G221 PolarHBondContact O-N 2.97Å; K218-G221 PolarHBondContact O-N 2.94Å; E219-G221 PolarHBondContact O-N 3.08Å
222	L	95.6	Very high	95.7	Very high	27 Å²	27	41.2 Å²	41.2	14%	0.141	22%	0.22	C	C	.	.			trans	-98.5	158.1	175.3	-64.7	173.2	0	0	0	110.7	N195 I217 A220 P224 D227 I228	N195-L222 WeakPolarHBondContact O-CD1 3.37Å; I217-L222 HydrophobicContact CG2-CB 3.6Å; I217-L222 PolarHBondContact O-N 3.16Å; A220-L222 VanDerWaalsContact C-N 3.34Å; L222-P224 WeakPolarHBondContact O-CD 3.08Å; L222-D227 HydrophobicContact CB-CB 4.33Å; L222-D227 HydrophobicContact CD2-CB 4.31Å; L222-I228 HydrophobicContact CD1-CD1 3.65Å; L222-I228 HydrophobicContact CD1-CG1 4.36Å
223	K	95.4	Very high	95.3	Very high	132 Å²	132	41.2 Å²	41.2	57%	0.574	22%	0.22	S	C	*	.			trans	-95.4	105.7	177.8	-63.5	173.9	-175.4	171.5	0	110.2	K226 D227	K223-K226 HydrophobicContact CB-CB 4.14Å; K223-K226 PolarHBondContact O-N 3.13Å; K223-D227 HydrophobicContact CB-CB 4.42Å; K223-D227 WeakPolarHBondContact CB-OD2 3.3Å; K223-D227 PolarHBondContact N-OD2 3.21Å; K223-D227 WeakPolarHBondContact O-CB 3.16Å; K223-D227 PolarHBondContact O-N 3.26Å
224	P	95.6	Very high	94.6	Very high	10 Å²	10	42.3 Å²	42.3	7%	0.065	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-60.5	146.3	171.7	30.6	-36.6	0	0	0	109.4	I214 I217 K218 L222 K226 E247	I214-P224 HydrophobicContact CB-CB 4.36Å; I214-P224 HydrophobicContact CG1-CB 4.04Å; I214-P224 HydrophobicContact CG2-CB 4.13Å; I214-P224 HydrophobicContact CG2-CG 3.92Å; I217-P224 HydrophobicContact CB-CB 4.29Å; I217-P224 HydrophobicContact CD1-CB 4.22Å; I217-P224 HydrophobicContact CG2-CB 3.96Å; I217-P224 HydrophobicContact CG2-CG 4.44Å; K218-P224 HydrophobicContact CD-CG 4.07Å; K218-P224 HydrophobicContact CG-CG 3.77Å; L222-P224 WeakPolarHBondContact O-CD 3.08Å; P224-K226 PolarHBondContact O-N 2.67Å; P224-E247 CarbonylContact C-O 3.53Å; P224-E247 HydrophobicContact CB-CB 4.35Å; P224-E247 WeakPolarHBondContact CB-O 3.37Å; P224-E247 HydrophobicContact CG-CB 3.87Å; P224-E247 HydrophobicContact CG-CG 4.06Å
225	G	90.5	Very high	93.7	Very high	7 Å²	7	42.1 Å²	42.1	7%	0.072	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-14.2	-176.3	0	0	0	0	0	115.1	I228 E247 N249	G225-I228 PolarHBondContact N-O 2.84Å; G225-E247 PolarHBondContact N-O 2.98Å; G225-N249 VanDerWaalsContact CA-OD1 3.32Å; G225-N249 WeakPolarHBondContact CA-OD1 3.12Å; G225-N249 PolarHBondContact O-ND2 2.8Å
226	K	91.8	Very high	92.8	Very high	161 Å²	161	38.9 Å²	38.9	70%	0.7	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-57.3	-177.6	-66.7	-175.8	-179	176.8	0	113.8	K223 P224	K223-K226 HydrophobicContact CB-CB 4.14Å; K223-K226 PolarHBondContact O-N 3.13Å; P224-K226 PolarHBondContact O-N 2.67Å
227	D	94.2	Very high	91.6	Very high	81 Å²	81	42.1 Å²	42.1	43%	0.433	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-36.9	177.5	-63.3	-25.8	0	0	0	110.3	L222 K223	L222-D227 HydrophobicContact CB-CB 4.33Å; L222-D227 HydrophobicContact CD2-CB 4.31Å; K223-D227 HydrophobicContact CB-CB 4.42Å; K223-D227 WeakPolarHBondContact CB-OD2 3.3Å; K223-D227 PolarHBondContact N-OD2 3.21Å; K223-D227 WeakPolarHBondContact O-CB 3.16Å; K223-D227 PolarHBondContact O-N 3.26Å
228	I	97.5	Very high	90.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-129.2	116.9	172	-63.2	176.1	0	0	0	107.5	M186 I199 V202 I217 L222 G225	M186-I228 HydrophobicContact CE-CD1 3.99Å; M186-I228 HydrophobicContact CE-CG2 4.38Å; I199-I228 HydrophobicContact CB-CD1 4.05Å; I199-I228 HydrophobicContact CB-CG1 4.28Å; I199-I228 HydrophobicContact CG2-CD1 4.24Å; I199-I228 HydrophobicContact CG2-CG1 4.35Å; I199-I228 HydrophobicContact CG2-CG2 3.94Å; V202-I228 HydrophobicContact CB-CG2 4.47Å; V202-I228 HydrophobicContact CG1-CG2 4.18Å; I217-I228 HydrophobicContact CD1-CB 4.14Å; I217-I228 HydrophobicContact CD1-CD1 4.45Å; I217-I228 HydrophobicContact CD1-CG2 3.97Å; I217-I228 HydrophobicContact CG1-CD1 4.14Å; I217-I228 HydrophobicContact CG2-CD1 4.37Å; L222-I228 HydrophobicContact CD1-CD1 3.65Å; L222-I228 HydrophobicContact CD1-CG1 4.36Å; G225-I228 PolarHBondContact N-O 2.84Å
229	L	97.2	Very high	90.3	Very high	26 Å²	26	40.8 Å²	40.8	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	150.5	173.8	-61.9	175.8	0	0	0	110.5	W126 L127 E130 C200 M201 V202 N249	W126-L229 HydrophobicContact CH2-CB 4.39Å; L127-L229 HydrophobicContact CD1-CD1 4.34Å; E130-L229 HydrophobicContact CG-CD1 4.11Å; C200-L229 PolarHBondContact O-N 3.38Å; M201-L229 CarbonylContact C-O 3.57Å; M201-L229 WeakPolarHBondContact CA-O 3.24Å; M201-L229 HydrophobicContact CB-CB 3.97Å; M201-L229 HydrophobicContact CG-CB 3.88Å; M201-L229 WeakPolarHBondContact CG-O 2.98Å; V202-L229 PolarHBondContact N-O 2.81Å; L229-N249 WeakPolarHBondContact CA-OD1 3.27Å
230	T	96.8	Very high	89.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.8	178.7	76.5	0	0	0	0	111	V202 I214 A248 N249 A250	V202-T230 HydrophobicContact CG1-CG2 3.92Å; I214-T230 HydrophobicContact CG1-CG2 4.14Å; T230-A248 WeakPolarHBondContact OG1-CA 3.05Å; T230-N249 PolarHBondContact N-OD1 2.94Å; T230-N249 WeakPolarHBondContact O-CB 2.92Å; T230-N249 PolarHBondContact O-N 3.5Å; T230-N249 PolarHBondContact OG1-N 3.44Å; T230-A250 PolarHBondContact O-N 3.09Å
231	G	93.6	Very high	88.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.8	171.9	0	0	0	0	0	111.2	M201 V202 Y203 A204 A250	M201-G231 VanDerWaalsContact CE-CA 3.41Å; V202-G231 PolarHBondContact O-N 3.25Å; Y203-G231 WeakPolarHBondContact CA-O 3.36Å; A204-G231 PolarHBondContact N-O 3.18Å; G231-A250 CarbonylContact C-O 3.4Å; G231-A250 VanDerWaalsContact CA-O 3.3Å; G231-A250 WeakPolarHBondContact CA-O 3.42Å
232	S	94.5	Very high	88	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.			trans	-144	-179.9	178.4	56.9	0	0	0	0	112.3	I123 A204 D207 A250 T251 L252	I123-S232 VanDerWaalsContact CD1-O 3.32Å; I123-S232 WeakPolarHBondContact CD1-O 3.49Å; A204-S232 WeakPolarHBondContact O-CA 3.23Å; D207-S232 WeakPolarHBondContact OD1-CB 3.18Å; D207-S232 PolarHBondContact OD1-OG 2.94Å; S232-A250 PolarHBondContact N-O 2.85Å; S232-T251 VanDerWaalsContact O-CA 3.32Å; S232-T251 WeakPolarHBondContact O-CA 3.19Å; S232-L252 PolarHBondContact O-N 2.9Å
233	I	89	Confident	87.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.			trans	-139.6	144.8	-174.4	-60.1	163.7	0	0	0	106.4	E119 I123 R153 Y203 N206 D207 L252	E119-I233 HydrophobicContact CB-CD1 3.89Å; E119-I233 HydrophobicContact CB-CG1 4.39Å; E119-I233 HydrophobicContact CB-CG2 4.14Å; E119-I233 HydrophobicContact CG-CG2 4.32Å; E119-I233 WeakPolarHBondContact OE2-CG2 3.23Å; I123-I233 HydrophobicContact CG1-CD1 4.49Å; I123-I233 HydrophobicContact CG1-CG1 4.06Å; R153-I233 HydrophobicContact CB-CD1 4.34Å; R153-I233 HydrophobicContact CG-CD1 3.85Å; Y203-I233 HydrophobicContact CE2-CD1 4.12Å; N206-I233 CarbonylContact C-O 3.58Å; N206-I233 WeakPolarHBondContact CA-O 3.29Å; D207-I233 PolarHBondContact N-O 3.05Å; I233-L252 HydrophobicContact CG2-CB 4.47Å
234	D	82	Confident	86.4	Confident	23 Å²	23	42 Å²	42	12%	0.123	21%	0.213	C	C	.	.	S	Bend	trans	129	-30.8	166.4	-68	-4.4	0	0	0	112.3	R153 N206 V236 L252	R153-D234 IonicContact CZ-OD1 3.74Å; R153-D234 IonicContact NH1-OD1 3.94Å; R153-D234 PolarHBondContact NH1-OD1 3.44Å; R153-D234 IonicContact NH2-OD1 3.92Å; R153-D234 PolarHBondContact NH2-OD1 3.39Å; N206-D234 VanDerWaalsContact CB-OD2 3.24Å; N206-D234 WeakPolarHBondContact CB-OD2 3.41Å; D234-V236 HydrophobicContact CB-CG1 4.23Å; D234-L252 PolarHBondContact N-O 2.71Å
235	G	80.5	Confident	85.7	Confident	4 Å²	4	46.1 Å²	46.1	4%	0.041	23%	0.234	C	C	.	.			trans	70.8	36.6	179.2	0	0	0	0	0	114.8	D207 Y240 L252	D207-G235 VanDerWaalsContact OD2-CA 3.3Å; D207-G235 WeakPolarHBondContact OD2-CA 3.31Å; D207-G235 PolarHBondContact OD2-N 2.85Å; G235-Y240 WeakPolarHBondContact O-CE2 3.35Å; G235-L252 PolarHBondContact N-O 3.03Å
236	V	76.8	Confident	85.3	Confident	17 Å²	17	47.4 Å²	47.4	10%	0.103	25%	0.247	C	C	.	.			trans	-69.1	150.8	178.8	-52.7	0	0	0	0	112.3	D207 I211 D234 D238 I239	D207-V236 HydrophobicContact CB-CB 4.39Å; D207-V236 HydrophobicContact CB-CG1 4.27Å; D207-V236 HydrophobicContact CB-CG2 3.44Å; D207-V236 VanDerWaalsContact CB-CG2 3.44Å; D207-V236 PolarHBondContact OD2-N 3.01Å; I211-V236 HydrophobicContact CD1-CG2 4.02Å; D234-V236 HydrophobicContact CB-CG1 4.23Å; V236-D238 HydrophobicContact CG2-CB 4.38Å; V236-D238 PolarHBondContact O-N 3.37Å; V236-I239 HydrophobicContact CG2-CB 4.3Å; V236-I239 HydrophobicContact CG2-CG2 4.31Å; V236-I239 WeakPolarHBondContact O-CG2 3.48Å; V236-I239 PolarHBondContact O-N 2.88Å
237	P	73.8	Confident	85.3	Confident	71 Å²	71	41.7 Å²	41.7	46%	0.461	22%	0.223	S	C	.	.	H	α-helix	trans	-53.7	-36.5	-176.5	-29.3	36.4	0	0	0	115.1	I239 Y240 K241 N447	P237-I239 VanDerWaalsContact C-N 3.31Å; P237-I239 PolarHBondContact O-N 2.77Å; P237-Y240 PolarHBondContact O-N 3.04Å; P237-K241 PolarHBondContact O-N 2.93Å; P237-N447 HydrophobicContact CG-CB 4.21Å
238	D	79.5	Confident	85	Confident	73 Å²	73	38.2 Å²	38.2	39%	0.39	21%	0.206	S	C	.	.	H	α-helix	trans	-65.1	-31.2	178.8	-76.9	-5.2	0	0	0	112.7	R179 I211 V236 K241 A242	R179-D238 IonicContact CZ-OD2 2.69Å; R179-D238 IonicContact NH1-OD2 3.95Å; R179-D238 PolarHBondContact NH1-OD2 3.43Å; R179-D238 IonicContact NH2-OD2 3.03Å; R179-D238 PolarHBondContact NH2-OD2 3.47Å; I211-D238 HydrophobicContact CD1-CB 3.44Å; I211-D238 VanDerWaalsContact CD1-CB 3.44Å; I211-D238 HydrophobicContact CG1-CB 4.46Å; V236-D238 HydrophobicContact CG2-CB 4.38Å; V236-D238 PolarHBondContact O-N 3.37Å; D238-K241 PolarHBondContact O-N 3.4Å; D238-A242 PolarHBondContact O-N 2.79Å; D238-A242 VanDerWaalsContact O-N 3.09Å
239	I	86.2	Confident	84.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.5	-37.3	178.6	-164	62.8	0	0	0	111.2	D207 V210 I211 V236 P237 K241 A242 M243 A248 T251	D207-I239 HydrophobicContact CB-CB 4.01Å; D207-I239 HydrophobicContact CB-CG1 4.44Å; D207-I239 HydrophobicContact CB-CG2 4.28Å; D207-I239 VanDerWaalsContact CG-CG2 3.46Å; D207-I239 WeakPolarHBondContact OD2-CG2 3.39Å; V210-I239 HydrophobicContact CG1-CD1 3.55Å; I211-I239 HydrophobicContact CG1-CD1 4.37Å; V236-I239 HydrophobicContact CG2-CB 4.3Å; V236-I239 HydrophobicContact CG2-CG2 4.31Å; V236-I239 WeakPolarHBondContact O-CG2 3.48Å; V236-I239 PolarHBondContact O-N 2.88Å; P237-I239 VanDerWaalsContact C-N 3.31Å; P237-I239 PolarHBondContact O-N 2.77Å; I239-K241 VanDerWaalsContact C-N 3.29Å; I239-K241 PolarHBondContact O-N 3.05Å; I239-A242 HydrophobicContact CD1-CB 4.37Å; I239-A242 CarbonylContact O-C 3.52Å; I239-A242 WeakPolarHBondContact O-CB 3.33Å; I239-A242 PolarHBondContact O-N 2.61Å; I239-A242 VanDerWaalsContact O-N 3.12Å; I239-M243 WeakPolarHBondContact O-CG 3.46Å; I239-M243 PolarHBondContact O-N 2.67Å; I239-A248 HydrophobicContact CD1-CB 3.71Å; I239-A248 HydrophobicContact CG1-CB 4.36Å; I239-T251 HydrophobicContact CG1-CG2 4.39Å; I239-T251 HydrophobicContact CG2-CG2 3.83Å
240	Y	80.1	Confident	83.5	Confident	53 Å²	53	39.4 Å²	39.4	21%	0.208	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-36.7	176.3	-68.4	-57.9	0	0	0	112.1	G235 P237 M243 I244 T251 D253 N447	G235-Y240 WeakPolarHBondContact O-CE2 3.35Å; P237-Y240 PolarHBondContact O-N 3.04Å; Y240-M243 HydrophobicContact CD1-SD 4.2Å; Y240-M243 PolarHBondContact O-N 3.41Å; Y240-I244 VanDerWaalsContact O-CG1 3.3Å; Y240-I244 WeakPolarHBondContact O-CG1 3.5Å; Y240-I244 PolarHBondContact O-N 2.92Å; Y240-T251 HydrophobicContact CD1-CG2 4.44Å; Y240-T251 HydrophobicContact CE1-CG2 3.86Å; Y240-D253 WeakPolarHBondContact OH-CB 3.37Å; Y240-D253 PolarHBondContact OH-OD2 2.9Å; Y240-N447 VanDerWaalsContact CD2-O 3.23Å; Y240-N447 WeakPolarHBondContact CD2-O 3.43Å; Y240-N447 WeakPolarHBondContact CE2-O 3.35Å
241	K	77.3	Confident	82.2	Confident	135 Å²	135	39.6 Å²	39.6	59%	0.587	21%	0.214	S	C	*	.	H	α-helix	trans	-61.3	-46.4	171.1	-172.8	179.1	177.2	-176.7	0	111.2	P237 D238 I239 M243 I244 D245	P237-K241 PolarHBondContact O-N 2.93Å; D238-K241 PolarHBondContact O-N 3.4Å; I239-K241 VanDerWaalsContact C-N 3.29Å; I239-K241 PolarHBondContact O-N 3.05Å; K241-M243 VanDerWaalsContact C-N 3.28Å; K241-M243 PolarHBondContact O-N 3.39Å; K241-I244 PolarHBondContact O-N 2.77Å; K241-D245 PolarHBondContact O-N 3.22Å
242	A	80.8	Confident	80.2	Confident	9 Å²	9	39.9 Å²	39.9	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-36	175.5	0	0	0	0	0	112.5	I214 D238 I239 D245 G246 E247 A248	I214-A242 HydrophobicContact CD1-CB 3.93Å; D238-A242 PolarHBondContact O-N 2.79Å; D238-A242 VanDerWaalsContact O-N 3.09Å; I239-A242 HydrophobicContact CD1-CB 4.37Å; I239-A242 CarbonylContact O-C 3.52Å; I239-A242 WeakPolarHBondContact O-CB 3.33Å; I239-A242 PolarHBondContact O-N 2.61Å; I239-A242 VanDerWaalsContact O-N 3.12Å; A242-D245 PolarHBondContact O-N 2.6Å; A242-G246 PolarHBondContact O-N 3.36Å; A242-E247 HydrophobicContact CB-CB 4.31Å; A242-E247 WeakPolarHBondContact O-CA 3.46Å; A242-E247 WeakPolarHBondContact O-CB 3.5Å; A242-E247 PolarHBondContact O-N 3.16Å; A242-A248 HydrophobicContact CB-CB 3.89Å; A242-A248 PolarHBondContact O-N 2.86Å; A242-A248 VanDerWaalsContact O-N 3.12Å
243	M	83.3	Confident	78.6	Confident	67 Å²	67	41.4 Å²	41.4	33%	0.33	22%	0.224	S	C	.	.	H	α-helix	trans	-66.3	-43.8	174.3	-69.1	-176.3	76.9	0	0	112.2	I239 Y240 K241 D245 G246 A248 T251	I239-M243 WeakPolarHBondContact O-CG 3.46Å; I239-M243 PolarHBondContact O-N 2.67Å; Y240-M243 HydrophobicContact CD1-SD 4.2Å; Y240-M243 PolarHBondContact O-N 3.41Å; K241-M243 VanDerWaalsContact C-N 3.28Å; K241-M243 PolarHBondContact O-N 3.39Å; M243-D245 VanDerWaalsContact C-N 3.26Å; M243-D245 PolarHBondContact O-N 3.18Å; M243-G246 WeakPolarHBondContact O-CA 3.36Å; M243-G246 PolarHBondContact O-N 2.84Å; M243-A248 HydrophobicContact CG-CB 3.71Å; M243-T251 HydrophobicContact SD-CG2 3.7Å
244	I	73.3	Confident	77.1	Confident	144 Å²	144	45.8 Å²	45.8	74%	0.738	25%	0.247	S	C	*	.	H	α-helix	trans	-59.8	-40.3	175.5	-69.5	163.7	0	0	0	110.7	Y240 K241 G246	Y240-I244 VanDerWaalsContact O-CG1 3.3Å; Y240-I244 WeakPolarHBondContact O-CG1 3.5Å; Y240-I244 PolarHBondContact O-N 2.92Å; K241-I244 PolarHBondContact O-N 2.77Å; I244-G246 PolarHBondContact O-N 3Å
245	D	81	Confident	76	Confident	96 Å²	96	47.1 Å²	47.1	51%	0.513	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.8	177.5	-65.5	-21.9	0	0	0	112.6	K241 A242 M243 E247	K241-D245 PolarHBondContact O-N 3.22Å; A242-D245 PolarHBondContact O-N 2.6Å; M243-D245 VanDerWaalsContact C-N 3.26Å; M243-D245 PolarHBondContact O-N 3.18Å; D245-E247 HydrophobicContact CB-CG 4.01Å; D245-E247 PolarHBondContact O-N 3.38Å
246	G	82.7	Confident	75.4	Confident	34 Å²	34	52.4 Å²	52.4	35%	0.351	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	17.6	-177.7	0	0	0	0	0	114	A242 M243 I244	A242-G246 PolarHBondContact O-N 3.36Å; M243-G246 WeakPolarHBondContact O-CA 3.36Å; M243-G246 PolarHBondContact O-N 2.84Å; I244-G246 PolarHBondContact O-N 3Å
247	E	90.7	Very high	75.6	Confident	42 Å²	42	54.3 Å²	54.3	20%	0.196	29%	0.291	C	S	.	.	S	Bend	trans	-90.6	-18.5	179.2	-58	-171.6	168.5	0	0	112.3	I214 K218 P224 G225 A242 D245	I214-E247 HydrophobicContact CG2-CB 4.15Å; I214-E247 WeakPolarHBondContact CG2-OE2 3.4Å; K218-E247 VanDerWaalsContact NZ-CD 3.3Å; K218-E247 IonicContact NZ-OE1 3.65Å; K218-E247 PolarHBondContact NZ-OE1 3.45Å; K218-E247 IonicContact NZ-OE2 3.35Å; K218-E247 PolarHBondContact NZ-OE2 2.97Å; K218-E247 VanDerWaalsContact NZ-OE2 3.09Å; P224-E247 CarbonylContact C-O 3.53Å; P224-E247 HydrophobicContact CB-CB 4.35Å; P224-E247 WeakPolarHBondContact CB-O 3.37Å; P224-E247 HydrophobicContact CG-CB 3.87Å; P224-E247 HydrophobicContact CG-CG 4.06Å; G225-E247 PolarHBondContact N-O 2.98Å; A242-E247 HydrophobicContact CB-CB 4.31Å; A242-E247 WeakPolarHBondContact O-CA 3.46Å; A242-E247 WeakPolarHBondContact O-CB 3.5Å; A242-E247 PolarHBondContact O-N 3.16Å; D245-E247 HydrophobicContact CB-CG 4.01Å; D245-E247 PolarHBondContact O-N 3.38Å
248	A	88.5	Confident	76.1	Confident	7 Å²	7	54.1 Å²	54.1	6%	0.058	29%	0.291	C	S	.	.			trans	-123.8	142.7	174.5	0	0	0	0	0	113.1	I214 T230 I239 A242 M243	I214-A248 HydrophobicContact CD1-CB 4.17Å; T230-A248 WeakPolarHBondContact OG1-CA 3.05Å; I239-A248 HydrophobicContact CD1-CB 3.71Å; I239-A248 HydrophobicContact CG1-CB 4.36Å; A242-A248 HydrophobicContact CB-CB 3.89Å; A242-A248 PolarHBondContact O-N 2.86Å; A242-A248 VanDerWaalsContact O-N 3.12Å; M243-A248 HydrophobicContact CG-CB 3.71Å
249	N	88.2	Confident	76.7	Confident	46 Å²	46	52.7 Å²	52.7	25%	0.246	28%	0.283	C	S	.	.			trans	-101.3	-46.9	-177.1	-54.5	102.3	0	0	0	114.2	W126 G225 L229 T230	W126-N249 HydrophobicContact CH2-CB 3.56Å; W126-N249 HydrophobicContact CZ2-CB 3.52Å; G225-N249 VanDerWaalsContact CA-OD1 3.32Å; G225-N249 WeakPolarHBondContact CA-OD1 3.12Å; G225-N249 PolarHBondContact O-ND2 2.8Å; L229-N249 WeakPolarHBondContact CA-OD1 3.27Å; T230-N249 PolarHBondContact N-OD1 2.94Å; T230-N249 WeakPolarHBondContact O-CB 2.92Å; T230-N249 PolarHBondContact O-N 3.5Å; T230-N249 PolarHBondContact OG1-N 3.44Å
250	A	74.2	Confident	76.9	Confident	7 Å²	7	58.4 Å²	58.4	6%	0.058	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-141.5	124.2	-177.4	0	0	0	0	0	110.8	I123 W126 T230 G231 S232	I123-A250 HydrophobicContact CD1-CB 4.35Å; W126-A250 HydrophobicContact CD2-CB 3.7Å; W126-A250 HydrophobicContact CE3-CB 3.91Å; W126-A250 HydrophobicContact CG-CB 4.26Å; W126-A250 HydrophobicContact CH2-CB 4.21Å; W126-A250 HydrophobicContact CZ2-CB 4.03Å; W126-A250 HydrophobicContact CZ3-CB 4.16Å; T230-A250 PolarHBondContact O-N 3.09Å; G231-A250 CarbonylContact C-O 3.4Å; G231-A250 VanDerWaalsContact CA-O 3.3Å; G231-A250 WeakPolarHBondContact CA-O 3.42Å; S232-A250 PolarHBondContact N-O 2.85Å
251	T	70.7	Confident	77.5	Confident	4 Å²	4	65.5 Å²	65.5	3%	0.025	33%	0.331	C	S	.	.			trans	-117.6	161	159.1	-171.2	0	0	0	0	108.3	D207 S232 I239 Y240 M243 R290	D207-T251 PolarHBondContact OD1-OG1 3.27Å; D207-T251 PolarHBondContact OD2-OG1 3.07Å; S232-T251 VanDerWaalsContact O-CA 3.32Å; S232-T251 WeakPolarHBondContact O-CA 3.19Å; I239-T251 HydrophobicContact CG1-CG2 4.39Å; I239-T251 HydrophobicContact CG2-CG2 3.83Å; Y240-T251 HydrophobicContact CD1-CG2 4.44Å; Y240-T251 HydrophobicContact CE1-CG2 3.86Å; M243-T251 HydrophobicContact SD-CG2 3.7Å; T251-R290 PolarHBondContact O-NH1 3.1Å; T251-R290 PolarHBondContact O-NH2 3.44Å
252	L	51.5	Low	78.3	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.031	31%	0.314	C	S	.	.			trans	-104.9	130.2	171.8	-170	103.6	0	0	0	110.7	E119 L122 S232 I233 D234 G235	E119-L252 HydrophobicContact CB-CD2 3.97Å; E119-L252 HydrophobicContact CG-CD2 3.59Å; L122-L252 HydrophobicContact CB-CD1 3.94Å; L122-L252 HydrophobicContact CD1-CD1 3.38Å; L122-L252 HydrophobicContact CG-CD1 4.3Å; S232-L252 PolarHBondContact O-N 2.9Å; I233-L252 HydrophobicContact CG2-CB 4.47Å; D234-L252 PolarHBondContact N-O 2.71Å; G235-L252 PolarHBondContact N-O 3.03Å
253	D	61.5	Low	79	Confident	32 Å²	32	60 Å²	60	17%	0.171	31%	0.312	C	S	.	.			trans	-140	134.5	170.1	-170.1	-1.2	0	0	0	108.9	Y240 S449	Y240-D253 WeakPolarHBondContact OH-CB 3.37Å; Y240-D253 PolarHBondContact OH-OD2 2.9Å; D253-S449 VanDerWaalsContact OD2-CA 3.24Å; D253-S449 WeakPolarHBondContact OD2-CA 3.46Å; D253-S449 VanDerWaalsContact OD2-CB 3.27Å; D253-S449 WeakPolarHBondContact OD2-CB 3.43Å; D253-S449 PolarHBondContact OD2-N 2.82Å; D253-S449 PolarHBondContact OD2-OG 2.99Å
254	N	56.2	Low	79.7	Confident	92 Å²	92	56.9 Å²	56.9	49%	0.492	30%	0.296	S	S	.	.			trans	-97.1	105.2	-179.9	-73.7	-22.7	0	0	0	108.8
255	V	58.7	Low	80.8	Confident	50 Å²	50	50 Å²	50	30%	0.303	26%	0.261	S	S	.	.			trans	-101.5	93.3	169.2	-176.7	0	0	0	0	108.5	L445 G448 F450	V255-L445 HydrophobicContact CG1-CD2 3.78Å; V255-G448 WeakPolarHBondContact CG2-O 3.28Å; V255-F450 HydrophobicContact CG1-CB 4.21Å
256	D	68.8	Low	81.4	Confident	116 Å²	116	45.4 Å²	45.4	62%	0.62	24%	0.237	S	C	*	.			trans	-95.5	124.1	171.8	-67.2	-50.1	0	0	0	110	F450	D256-F450 WeakPolarHBondContact O-CD2 2.83Å; D256-F450 VanDerWaalsContact O-CE2 3.22Å; D256-F450 WeakPolarHBondContact O-CE2 3.44Å; D256-F450 VanDerWaalsContact O-CG 3.29Å; D256-F450 WeakPolarHBondContact O-CG 3.36Å
257	F	79.7	Confident	81.8	Confident	57 Å²	57	43.9 Å²	43.9	25%	0.25	22%	0.22	C	C	.	.			trans	-144.5	156.5	167.1	84.2	-79.4	0	0	0	110.7	M265 L278 L282 I426 T443 F450	F257-M265 HydrophobicContact CD2-CE 3.65Å; F257-M265 HydrophobicContact CD2-SD 3.91Å; F257-M265 HydrophobicContact CE2-CE 3.7Å; F257-M265 HydrophobicContact CE2-SD 4.44Å; F257-L278 HydrophobicContact CD1-CD1 4.46Å; F257-L278 HydrophobicContact CD1-CD2 4.02Å; F257-L278 HydrophobicContact CE1-CD1 3.87Å; F257-L278 HydrophobicContact CE1-CD2 3.75Å; F257-L278 HydrophobicContact CE1-CG 4.19Å; F257-L278 HydrophobicContact CZ-CD2 4.31Å; F257-L282 HydrophobicContact CE1-CD1 4.4Å; F257-L282 HydrophobicContact CZ-CD1 3.85Å; F257-L282 HydrophobicContact CZ-CD2 4.32Å; F257-I426 HydrophobicContact CE2-CD1 4.05Å; F257-I426 HydrophobicContact CZ-CD1 4.25Å; F257-T443 HydrophobicContact CB-CG2 4.26Å; F257-F450 HydrophobicContact CB-CD2 4.35Å; F257-F450 HydrophobicContact CB-CE2 4.22Å
258	S	85	Confident	81.3	Confident	67 Å²	67	42 Å²	42	47%	0.469	21%	0.211	S	C	.	.			trans	-130.3	141.2	177.7	70	0	0	0	0	111.1
259	L	91.4	Very high	80.5	Confident	42 Å²	42	42 Å²	42	22%	0.22	21%	0.212	C	C	.	.			trans	-115.9	120.9	173.5	179.2	66.1	0	0	0	108.3	E263 M265 V393 S424 I426	L259-E263 HydrophobicContact CD1-CB 4.38Å; L259-E263 HydrophobicContact CD1-CG 4.43Å; L259-M265 HydrophobicContact CD1-CB 3.56Å; L259-V393 HydrophobicContact CD2-CG1 3.69Å; L259-V393 HydrophobicContact CD2-CG2 4.23Å; L259-S424 VanDerWaalsContact CD2-CB 3.45Å; L259-I426 HydrophobicContact CD2-CD1 4.28Å; L259-I426 HydrophobicContact CD2-CG1 3.76Å
260	R	92.1	Very high	79.1	Confident	121 Å²	121	41.9 Å²	41.9	46%	0.457	21%	0.21	S	C	.	.			trans	-77.7	160	178	-56.9	178.5	-172.5	148.7	-0.7	110.3	G262 E263 S424 E455	R260-G262 PolarHBondContact O-N 3.09Å; R260-E263 HydrophobicContact CB-CB 3.96Å; R260-E263 HydrophobicContact CB-CG 4.45Å; R260-E263 WeakPolarHBondContact CB-OE2 3.31Å; R260-E263 VanDerWaalsContact CD-OE1 3.29Å; R260-E263 WeakPolarHBondContact CD-OE1 3.4Å; R260-E263 IonicContact CZ-OE1 3.32Å; R260-E263 PolarHBondContact N-OE2 3.45Å; R260-E263 IonicContact NE-OE1 2.79Å; R260-E263 IonicContact NH1-OE1 2.94Å; R260-E263 WeakPolarHBondContact O-CB 3.39Å; R260-S424 WeakPolarHBondContact O-CB 3.24Å; R260-S424 PolarHBondContact O-OG 3.28Å; R260-E455 IonicContact CZ-OE1 2.76Å; R260-E455 VanDerWaalsContact CZ-OE1 3.26Å; R260-E455 IonicContact NH1-OE1 3.35Å; R260-E455 PolarHBondContact NH1-OE1 2.92Å; R260-E455 IonicContact NH1-OE2 2.78Å; R260-E455 IonicContact NH2-OE1 3.49Å; R260-E455 PolarHBondContact NH2-OE1 2.97Å
261	R	92.2	Very high	78.3	Confident	202 Å²	202	45.9 Å²	45.9	76%	0.762	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	131.6	175	-172.1	173.4	-177	165.4	1.8	110.2	E263 S424	R261-E263 VanDerWaalsContact C-N 3.35Å; R261-S424 VanDerWaalsContact CA-OG 3.24Å; R261-S424 WeakPolarHBondContact CA-OG 3.43Å
262	G	94.1	Very high	77.5	Confident	22 Å²	22	49.3 Å²	49.3	23%	0.227	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	39.9	178.4	0	0	0	0	0	112.8	R260 R419 S424	R260-G262 PolarHBondContact O-N 3.09Å; G262-R419 VanDerWaalsContact C-CG 3.47Å; G262-R419 WeakPolarHBondContact O-CG 3.46Å; G262-S424 PolarHBondContact N-OG 3.11Å
263	E	96.1	Very high	78	Confident	7 Å²	7	49.1 Å²	49.1	3%	0.033	27%	0.266	C	S	.	.			trans	-120.1	141.8	-179	176.1	173.9	-105.9	0	0	110	L259 R260 R261 S424 L425 D440 R441	L259-E263 HydrophobicContact CD1-CB 4.38Å; L259-E263 HydrophobicContact CD1-CG 4.43Å; R260-E263 HydrophobicContact CB-CB 3.96Å; R260-E263 HydrophobicContact CB-CG 4.45Å; R260-E263 WeakPolarHBondContact CB-OE2 3.31Å; R260-E263 VanDerWaalsContact CD-OE1 3.29Å; R260-E263 WeakPolarHBondContact CD-OE1 3.4Å; R260-E263 IonicContact CZ-OE1 3.32Å; R260-E263 PolarHBondContact N-OE2 3.45Å; R260-E263 IonicContact NE-OE1 2.79Å; R260-E263 IonicContact NH1-OE1 2.94Å; R260-E263 WeakPolarHBondContact O-CB 3.39Å; R261-E263 VanDerWaalsContact C-N 3.35Å; E263-S424 CarbonylContact O-C 3.53Å; E263-S424 WeakPolarHBondContact O-CA 3.47Å; E263-L425 PolarHBondContact O-N 3.4Å; E263-D440 HydrophobicContact CG-CB 4.13Å; E263-R441 WeakPolarHBondContact OE1-CD 3.39Å; E263-R441 IonicContact OE1-NH1 2.88Å; E263-R441 IonicContact OE2-NH1 2.78Å; E263-R441 PolarHBondContact OE2-NH1 3.45Å
264	I	97.8	Very high	78.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	104.2	165.6	-59	172.2	0	0	0	107.4	M415 R419 L425 F427 V438 S439 D440 R441	I264-M415 HydrophobicContact CD1-CB 4.15Å; I264-M415 HydrophobicContact CG2-CE 3.99Å; I264-R419 HydrophobicContact CD1-CB 3.91Å; I264-R419 HydrophobicContact CD1-CG 4.32Å; I264-R419 HydrophobicContact CG1-CB 3.83Å; I264-R419 HydrophobicContact CG1-CG 3.96Å; I264-L425 HydrophobicContact CG1-CB 4.18Å; I264-L425 HydrophobicContact CG1-CD1 4.03Å; I264-F427 HydrophobicContact CG2-CB 4.21Å; I264-V438 HydrophobicContact CD1-CG2 3.96Å; I264-V438 WeakPolarHBondContact CD1-O 3.49Å; I264-V438 HydrophobicContact CG2-CG1 4.42Å; I264-S439 CarbonylContact O-C 3.37Å; I264-D440 PolarHBondContact N-OD2 2.8Å; I264-D440 PolarHBondContact O-N 3.27Å; I264-R441 PolarHBondContact O-N 3.19Å
265	M	96.1	Very high	79.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.6	174.7	-176	-168.2	69.3	0	0	109.9	F257 L259 L425 I426 F427 R441 T443	F257-M265 HydrophobicContact CD2-CE 3.65Å; F257-M265 HydrophobicContact CD2-SD 3.91Å; F257-M265 HydrophobicContact CE2-CE 3.7Å; F257-M265 HydrophobicContact CE2-SD 4.44Å; L259-M265 HydrophobicContact CD1-CB 3.56Å; M265-L425 PolarHBondContact N-O 3.28Å; M265-I426 HydrophobicContact CE-CD1 4.19Å; M265-I426 HydrophobicContact CE-CG1 4.03Å; M265-I426 HydrophobicContact CE-CG2 4.03Å; M265-I426 WeakPolarHBondContact O-CA 3.33Å; M265-F427 PolarHBondContact O-N 2.8Å; M265-R441 CarbonylContact C-O 3.54Å; M265-R441 WeakPolarHBondContact CA-O 3.33Å; M265-T443 PolarHBondContact SD-OG1 3.48Å
266	A	92.9	Very high	80.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.9	167.9	0	0	0	0	0	110.7	L268 F427 V435 R441 I442 T443	A266-L268 HydrophobicContact CB-CG 4.32Å; A266-F427 CarbonylContact C-O 3.58Å; A266-F427 VanDerWaalsContact CA-O 3.24Å; A266-F427 WeakPolarHBondContact CA-O 3.21Å; A266-V435 HydrophobicContact CB-CB 4.34Å; A266-V435 HydrophobicContact CB-CG1 3.53Å; A266-V435 HydrophobicContact CB-CG2 4.04Å; A266-R441 PolarHBondContact N-O 3.02Å; A266-I442 HydrophobicContact CB-CG1 4.32Å; A266-I442 HydrophobicContact CB-CG2 4.49Å; A266-T443 PolarHBondContact O-N 2.81Å
267	L	91.1	Very high	80.9	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	105	172.3	-178.9	65.1	0	0	0	109.3	K275 L278 I426 F427 V428 T443 L445	L267-K275 HydrophobicContact CD2-CB 4.3Å; L267-K275 HydrophobicContact CG-CD 4.45Å; L267-K275 HydrophobicContact CG-CG 4.35Å; L267-L278 HydrophobicContact CD1-CD2 4.46Å; L267-L278 HydrophobicContact CD2-CD2 4.02Å; L267-I426 HydrophobicContact CB-CG2 3.89Å; L267-I426 HydrophobicContact CD2-CG2 4.23Å; L267-F427 PolarHBondContact N-O 3.23Å; L267-V428 HydrophobicContact CB-CG2 4.3Å; L267-V428 HydrophobicContact CD2-CG2 4.35Å; L267-T443 HydrophobicContact CD1-CG2 3.82Å; L267-L445 HydrophobicContact CD1-CD1 3.93Å; L267-L445 HydrophobicContact CD1-CG 3.85Å
268	L	81.5	Confident	81.1	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	160.5	-174.2	-58.7	-176.7	0	0	0	111.8	A266 T429 V435 I442 T443 V444 L445 L464 M468	A266-L268 HydrophobicContact CB-CG 4.32Å; L268-T429 HydrophobicContact CD2-CG2 4.05Å; L268-T429 WeakPolarHBondContact CD2-O 3.44Å; L268-V435 HydrophobicContact CD1-CG1 4.27Å; L268-V435 HydrophobicContact CD1-CG2 3.95Å; L268-V435 HydrophobicContact CD2-CG2 3.76Å; L268-V435 HydrophobicContact CG-CG2 4.34Å; L268-I442 HydrophobicContact CD1-CG2 3.55Å; L268-I442 HydrophobicContact CG-CG2 4.08Å; L268-T443 PolarHBondContact N-O 3.4Å; L268-V444 HydrophobicContact CB-CG2 4.4Å; L268-V444 CarbonylContact O-C 3.57Å; L268-V444 WeakPolarHBondContact O-CA 3.3Å; L268-L445 PolarHBondContact O-N 3.3Å; L268-L464 HydrophobicContact CD1-CD1 3.74Å; L268-L464 HydrophobicContact CD1-CD2 3.62Å; L268-L464 HydrophobicContact CD1-CG 4.11Å; L268-M468 HydrophobicContact CB-CE 4.19Å; L268-M468 HydrophobicContact CB-CG 4.45Å; L268-M468 HydrophobicContact CB-SD 4.09Å; L268-M468 HydrophobicContact CD1-SD 4.22Å
269	G	70.4	Confident	81.3	Confident	7 Å²	7	39.3 Å²	39.3	7%	0.072	22%	0.22	C	C	.	.			trans	160.9	163.7	178	0	0	0	0	0	111.3	K275 L445	G269-K275 PolarHBondContact O-NZ 3.46Å; G269-L445 WeakPolarHBondContact CA-O 3.38Å
270	E	59.9	Low	81.1	Confident	44 Å²	44	40.5 Å²	40.5	21%	0.206	22%	0.223	C	C	.	.			trans	-61.2	166.8	173.7	-66.8	-174.4	177.5	0	0	112.5	G272 A273 K275 L469	E270-G272 PolarHBondContact O-N 2.82Å; E270-A273 WeakPolarHBondContact O-CB 3.49Å; E270-A273 PolarHBondContact O-N 2.93Å; E270-K275 PolarHBondContact O-NZ 3.49Å; E270-L469 VanDerWaalsContact OE1-CD2 3.3Å; E270-L469 WeakPolarHBondContact OE1-CD2 3.42Å
271	N	57.1	Low	80.8	Confident	91 Å²	91	35.8 Å²	35.8	49%	0.487	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	123.4	166.8	-81.3	-22.6	0	0	0	109.6	D661	N271-D661 WeakPolarHBondContact ND2-CB 3.38Å; N271-D661 PolarHBondContact ND2-OD2 2.88Å
272	G	53	Low	80.6	Confident	76 Å²	76	27 Å²	27	78%	0.784	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	2.4	-172.9	0	0	0	0	0	114.9	E270 G274	E270-G272 PolarHBondContact O-N 2.82Å; G272-G274 PolarHBondContact O-N 3.19Å
273	A	62.8	Low	80.4	Confident	2 Å²	2	26.1 Å²	26.1	2%	0.017	17%	0.168	C	C	.	.	S	Bend	trans	-66.4	-1.9	178.4	0	0	0	0	0	115.5	E270 L445 G448	E270-A273 WeakPolarHBondContact O-CB 3.49Å; E270-A273 PolarHBondContact O-N 2.93Å; A273-L445 HydrophobicContact CB-CB 4.27Å; A273-L445 WeakPolarHBondContact CB-O 3.39Å; A273-G448 VanDerWaalsContact O-CA 3.31Å; A273-G448 WeakPolarHBondContact O-CA 3.24Å; A273-G448 PolarHBondContact O-N 2.93Å
274	G	71.1	Confident	79.9	Confident	16 Å²	16	26 Å²	26	17%	0.165	17%	0.168	C	C	.	.	S	Bend	trans	98.1	-0.5	-179.7	0	0	0	0	0	115.4	G272 S276 T277 L278	G272-G274 PolarHBondContact O-N 3.19Å; G274-S276 PolarHBondContact O-N 3.49Å; G274-T277 WeakPolarHBondContact O-CB 3.39Å; G274-T277 PolarHBondContact O-N 3.11Å; G274-T277 VanDerWaalsContact O-N 3.16Å; G274-L278 WeakPolarHBondContact O-CB 3.47Å; G274-L278 PolarHBondContact O-N 2.94Å
275	K	79.9	Confident	79.3	Confident	18 Å²	18	29.1 Å²	29.1	8%	0.078	19%	0.188	C	C	.	.	H	α-helix	trans	-54.1	-55	-179.1	-54.6	-171.7	-59.7	-81.4	0	113.1	L267 G269 E270 T277 L278 I279 V428 L445	L267-K275 HydrophobicContact CD2-CB 4.3Å; L267-K275 HydrophobicContact CG-CD 4.45Å; L267-K275 HydrophobicContact CG-CG 4.35Å; G269-K275 PolarHBondContact O-NZ 3.46Å; E270-K275 PolarHBondContact O-NZ 3.49Å; K275-T277 VanDerWaalsContact C-N 3.29Å; K275-T277 PolarHBondContact O-N 3.02Å; K275-L278 WeakPolarHBondContact O-CB 3.49Å; K275-L278 PolarHBondContact O-N 3.37Å; K275-I279 WeakPolarHBondContact O-CG1 3.43Å; K275-I279 PolarHBondContact O-N 3.24Å; K275-V428 HydrophobicContact CD-CG1 4Å; K275-L445 HydrophobicContact CG-CD1 4.25Å
276	S	77.7	Confident	78.6	Confident	60 Å²	60	34.4 Å²	34.4	42%	0.42	21%	0.208	S	C	.	.	H	α-helix	trans	-66.5	-32.1	179.6	-46.8	0	0	0	0	112.3	G274 I279 K280	G274-S276 PolarHBondContact O-N 3.49Å; S276-I279 PolarHBondContact O-N 3.42Å; S276-K280 WeakPolarHBondContact O-CB 3.47Å; S276-K280 WeakPolarHBondContact O-CG 3.26Å; S276-K280 PolarHBondContact O-N 3.42Å
277	T	76.7	Confident	77.7	Confident	83 Å²	83	40.1 Å²	40.1	51%	0.509	24%	0.235	S	C	.	.	H	α-helix	trans	-64.7	-43.3	173.6	-54.1	0	0	0	0	110.6	G274 K275 K280 A281 Y286	G274-T277 WeakPolarHBondContact O-CB 3.39Å; G274-T277 PolarHBondContact O-N 3.11Å; G274-T277 VanDerWaalsContact O-N 3.16Å; K275-T277 VanDerWaalsContact C-N 3.29Å; K275-T277 PolarHBondContact O-N 3.02Å; T277-K280 PolarHBondContact O-N 2.96Å; T277-A281 WeakPolarHBondContact O-CB 3.33Å; T277-A281 PolarHBondContact O-N 3.04Å; T277-Y286 HydrophobicContact CG2-CD2 4.27Å
278	L	84.6	Confident	76.8	Confident	29 Å²	29	42.8 Å²	42.8	15%	0.152	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-47.6	175.1	-179	62.4	0	0	0	111.5	F257 L267 G274 K275 K280 A281 L282 L445	F257-L278 HydrophobicContact CD1-CD1 4.46Å; F257-L278 HydrophobicContact CD1-CD2 4.02Å; F257-L278 HydrophobicContact CE1-CD1 3.87Å; F257-L278 HydrophobicContact CE1-CD2 3.75Å; F257-L278 HydrophobicContact CE1-CG 4.19Å; F257-L278 HydrophobicContact CZ-CD2 4.31Å; L267-L278 HydrophobicContact CD1-CD2 4.46Å; L267-L278 HydrophobicContact CD2-CD2 4.02Å; G274-L278 WeakPolarHBondContact O-CB 3.47Å; G274-L278 PolarHBondContact O-N 2.94Å; K275-L278 WeakPolarHBondContact O-CB 3.49Å; K275-L278 PolarHBondContact O-N 3.37Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 3.21Å; L278-A281 WeakPolarHBondContact O-CB 3.41Å; L278-A281 PolarHBondContact O-N 3.05Å; L278-A281 VanDerWaalsContact O-N 3.13Å; L278-L282 HydrophobicContact CD1-CG 4.46Å; L278-L282 HydrophobicContact CG-CD1 4.22Å; L278-L282 WeakPolarHBondContact O-CG 3.25Å; L278-L282 PolarHBondContact O-N 3.33Å; L278-L445 HydrophobicContact CB-CD1 4.48Å; L278-L445 HydrophobicContact CD2-CD1 3.9Å
279	I	89.3	Confident	76	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-42.8	176.9	-64.2	164.9	0	0	0	110.9	K275 S276 A281 L282 T283 T315 Y317 I395 D397 V428	K275-I279 WeakPolarHBondContact O-CG1 3.43Å; K275-I279 PolarHBondContact O-N 3.24Å; S276-I279 PolarHBondContact O-N 3.42Å; I279-A281 VanDerWaalsContact C-N 3.31Å; I279-A281 PolarHBondContact O-N 3.35Å; I279-L282 PolarHBondContact O-N 2.92Å; I279-T283 HydrophobicContact CG2-CG2 4.41Å; I279-T283 WeakPolarHBondContact O-CB 3.19Å; I279-T283 VanDerWaalsContact O-CG2 3.28Å; I279-T283 WeakPolarHBondContact O-CG2 2.97Å; I279-T283 PolarHBondContact O-N 3.45Å; I279-T283 PolarHBondContact O-OG1 3.09Å; I279-T315 HydrophobicContact CG2-CG2 4.09Å; I279-Y317 HydrophobicContact CG2-CE1 4Å; I279-I395 HydrophobicContact CD1-CG2 4.09Å; I279-I395 HydrophobicContact CG1-CG2 3.93Å; I279-I395 HydrophobicContact CG2-CD1 4.3Å; I279-I395 HydrophobicContact CG2-CG2 3.96Å; I279-D397 HydrophobicContact CD1-CB 4.31Å; I279-V428 HydrophobicContact CD1-CG2 3.65Å
280	K	86.6	Confident	75.6	Confident	68 Å²	68	53.7 Å²	53.7	30%	0.296	31%	0.308	S	S	.	.	H	α-helix	trans	-65.2	-34.1	176.8	-74.5	173.9	-177.6	176.3	0	112.5	S276 T277 L278 T283 G284 V285 Y286	S276-K280 WeakPolarHBondContact O-CB 3.47Å; S276-K280 WeakPolarHBondContact O-CG 3.26Å; S276-K280 PolarHBondContact O-N 3.42Å; T277-K280 PolarHBondContact O-N 2.96Å; L278-K280 VanDerWaalsContact C-N 3.3Å; L278-K280 PolarHBondContact O-N 3.21Å; K280-T283 WeakPolarHBondContact CA-OG1 3.44Å; K280-T283 PolarHBondContact O-OG1 3.34Å; K280-G284 PolarHBondContact O-N 3.34Å; K280-G284 VanDerWaalsContact O-N 3.13Å; K280-V285 HydrophobicContact CB-CB 3.9Å; K280-V285 HydrophobicContact CB-CG1 4.19Å; K280-V285 HydrophobicContact CD-CG1 4.2Å; K280-V285 HydrophobicContact CG-CB 4.02Å; K280-V285 HydrophobicContact CG-CG1 3.95Å; K280-V285 PolarHBondContact O-N 3.32Å; K280-Y286 HydrophobicContact CB-CD2 3.51Å; K280-Y286 HydrophobicContact CB-CE2 3.96Å; K280-Y286 HydrophobicContact CB-CG 3.93Å; K280-Y286 HydrophobicContact CD-CD2 3.79Å; K280-Y286 HydrophobicContact CD-CE1 4.37Å; K280-Y286 HydrophobicContact CD-CE2 3.28Å; K280-Y286 HydrophobicContact CG-CD2 4.31Å; K280-Y286 HydrophobicContact CG-CE2 4.27Å; K280-Y286 PolarHBondContact NZ-OH 3.09Å; K280-Y286 PolarHBondContact O-N 2.95Å
281	A	85.9	Confident	76.1	Confident	21 Å²	21	55 Å²	55	17%	0.174	33%	0.333	C	S	.	.	H	α-helix	trans	-68.4	-45.8	173.1	0	0	0	0	0	111.9	T277 L278 I279 T283 G284 Y286	T277-A281 WeakPolarHBondContact O-CB 3.33Å; T277-A281 PolarHBondContact O-N 3.04Å; L278-A281 WeakPolarHBondContact O-CB 3.41Å; L278-A281 PolarHBondContact O-N 3.05Å; L278-A281 VanDerWaalsContact O-N 3.13Å; I279-A281 VanDerWaalsContact C-N 3.31Å; I279-A281 PolarHBondContact O-N 3.35Å; A281-T283 PolarHBondContact O-N 3.23Å; A281-G284 PolarHBondContact O-N 3.26Å; A281-Y286 WeakPolarHBondContact CA-O 3.39Å
282	L	88.7	Confident	77	Confident	19 Å²	19	55.7 Å²	55.7	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-29.4	177	-68.1	172.6	0	0	0	113	F257 L278 I279 I293 P302 I395 I426	F257-L282 HydrophobicContact CE1-CD1 4.4Å; F257-L282 HydrophobicContact CZ-CD1 3.85Å; F257-L282 HydrophobicContact CZ-CD2 4.32Å; L278-L282 HydrophobicContact CD1-CG 4.46Å; L278-L282 HydrophobicContact CG-CD1 4.22Å; L278-L282 WeakPolarHBondContact O-CG 3.25Å; L278-L282 PolarHBondContact O-N 3.33Å; I279-L282 PolarHBondContact O-N 2.92Å; L282-I293 HydrophobicContact CD2-CD1 4.16Å; L282-I293 HydrophobicContact CD2-CG1 4.42Å; L282-I293 HydrophobicContact CD2-CG2 4.14Å; L282-P302 WeakPolarHBondContact O-CG 3.33Å; L282-I395 HydrophobicContact CB-CD1 4.21Å; L282-I395 HydrophobicContact CD1-CD1 4.1Å; L282-I426 HydrophobicContact CD1-CD1 4.03Å
283	T	88.9	Confident	78.5	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.2	179.9	55.4	0	0	0	0	113.5	I279 K280 A281 V285 N304 T305 A308 T315 Y317 I395	I279-T283 HydrophobicContact CG2-CG2 4.41Å; I279-T283 WeakPolarHBondContact O-CB 3.19Å; I279-T283 VanDerWaalsContact O-CG2 3.28Å; I279-T283 WeakPolarHBondContact O-CG2 2.97Å; I279-T283 PolarHBondContact O-N 3.45Å; I279-T283 PolarHBondContact O-OG1 3.09Å; K280-T283 WeakPolarHBondContact CA-OG1 3.44Å; K280-T283 PolarHBondContact O-OG1 3.34Å; A281-T283 PolarHBondContact O-N 3.23Å; T283-V285 PolarHBondContact O-N 3.25Å; T283-N304 CarbonylContact O-C 3.55Å; T283-T305 VanDerWaalsContact O-CA 3.31Å; T283-T305 WeakPolarHBondContact O-CA 3.48Å; T283-T305 PolarHBondContact O-N 2.97Å; T283-A308 WeakPolarHBondContact O-CB 3.29Å; T283-T315 HydrophobicContact CG2-CG2 4.35Å; T283-T315 WeakPolarHBondContact CG2-OG1 3.49Å; T283-Y317 PolarHBondContact OG1-OH 3.11Å; T283-I395 HydrophobicContact CG2-CD1 4.33Å
284	G	87	Confident	79.5	Confident	4 Å²	4	61.8 Å²	61.8	4%	0.041	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	15	-178	0	0	0	0	0	114.4	K280 A281 Y286 N304	K280-G284 PolarHBondContact O-N 3.34Å; K280-G284 VanDerWaalsContact O-N 3.13Å; A281-G284 PolarHBondContact O-N 3.26Å; G284-Y286 VanDerWaalsContact C-N 3.31Å; G284-N304 WeakPolarHBondContact O-CA 3.47Å
285	V	83.9	Confident	80.3	Confident	67 Å²	67	62.3 Å²	62.3	41%	0.406	34%	0.341	S	S	.	.	S	Bend	trans	-66.4	-40.5	167	173.9	0	0	0	0	109.6	K280 T283 T305	K280-V285 HydrophobicContact CB-CB 3.9Å; K280-V285 HydrophobicContact CB-CG1 4.19Å; K280-V285 HydrophobicContact CD-CG1 4.2Å; K280-V285 HydrophobicContact CG-CB 4.02Å; K280-V285 HydrophobicContact CG-CG1 3.95Å; K280-V285 PolarHBondContact O-N 3.32Å; T283-V285 PolarHBondContact O-N 3.25Å; V285-T305 HydrophobicContact CG2-CG2 3.46Å; V285-T305 VanDerWaalsContact CG2-CG2 3.46Å
286	Y	80.8	Confident	80.7	Confident	111 Å²	111	66.1 Å²	66.1	44%	0.435	36%	0.359	S	S	.	.	S	Bend	trans	-110	141.4	164.4	-63	-28.8	0	0	0	108.7	T277 K280 A281 G284	T277-Y286 HydrophobicContact CG2-CD2 4.27Å; K280-Y286 HydrophobicContact CB-CD2 3.51Å; K280-Y286 HydrophobicContact CB-CE2 3.96Å; K280-Y286 HydrophobicContact CB-CG 3.93Å; K280-Y286 HydrophobicContact CD-CD2 3.79Å; K280-Y286 HydrophobicContact CD-CE1 4.37Å; K280-Y286 HydrophobicContact CD-CE2 3.28Å; K280-Y286 HydrophobicContact CG-CD2 4.31Å; K280-Y286 HydrophobicContact CG-CE2 4.27Å; K280-Y286 PolarHBondContact NZ-OH 3.09Å; K280-Y286 PolarHBondContact O-N 2.95Å; A281-Y286 WeakPolarHBondContact CA-O 3.39Å; G284-Y286 VanDerWaalsContact C-N 3.31Å
287	H	75.8	Confident	80.8	Confident	119 Å²	119	70.5 Å²	70.5	55%	0.551	38%	0.378	S	S	*	.			trans	-85.9	128.7	167.9	-62.5	-66.2	0	0	0	107.7	D289 K303	H287-D289 PolarHBondContact O-N 3.11Å; H287-K303 PolarHBondContact CE1-O 3.01Å; H287-K303 VanDerWaalsContact CE1-O 3.25Å
288	A	71.4	Confident	81.2	Confident	59 Å²	59	73 Å²	73	49%	0.488	38%	0.384	S	S	.	.			trans	-62.3	126.7	171	0	0	0	0	0	108.6	R290	A288-R290 WeakPolarHBondContact CB-O 3.41Å; A288-R290 PolarHBondContact O-N 3.19Å
289	D	64.9	Low	81.3	Confident	150 Å²	150	75 Å²	75	80%	0.802	40%	0.404	S	S	*	.	S	Bend	trans	-64.4	-22.2	176.3	-59.7	-57.4	0	0	0	111.6	H287	H287-D289 PolarHBondContact O-N 3.11Å
290	R	61.6	Low	81.2	Confident	87 Å²	87	75.9 Å²	75.9	33%	0.328	41%	0.409	S	S	.	.	S	Bend	trans	-163.5	176.8	-178.9	61.5	-176.2	171.5	-121.3	-20.4	111.7	T251 A288	T251-R290 PolarHBondContact O-NH1 3.1Å; T251-R290 PolarHBondContact O-NH2 3.44Å; A288-R290 WeakPolarHBondContact CB-O 3.41Å; A288-R290 PolarHBondContact O-N 3.19Å
291	G	71.1	Confident	81.3	Confident	72 Å²	72	76.8 Å²	76.8	74%	0.742	42%	0.423	S	S	*	.			trans	89.4	174.2	-177.3	0	0	0	0	0	112.4
292	T	74.6	Confident	81.5	Confident	105 Å²	105	76 Å²	76	64%	0.644	42%	0.417	S	S	*	.			trans	-130.5	132.8	-179.1	54.7	0	0	0	0	110.1	W294	T292-W294 PolarHBondContact OG1-NE1 3Å
293	I	85.2	Confident	81.5	Confident	42 Å²	42	81.9 Å²	81.9	22%	0.215	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.2	171.5	-56.3	167.6	0	0	0	106.9	L282 A299 I300	L282-I293 HydrophobicContact CD2-CD1 4.16Å; L282-I293 HydrophobicContact CD2-CG1 4.42Å; L282-I293 HydrophobicContact CD2-CG2 4.14Å; I293-A299 CarbonylContact O-C 3.53Å; I293-A299 WeakPolarHBondContact O-CA 3.43Å; I293-I300 HydrophobicContact CB-CG1 3.93Å; I293-I300 HydrophobicContact CG2-CD1 3.76Å; I293-I300 HydrophobicContact CG2-CG1 3.6Å; I293-I300 PolarHBondContact O-N 2.99Å
294	W	84.1	Confident	81.5	Confident	164 Å²	164	85.4 Å²	85.4	62%	0.621	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.1	176.4	-61.7	74	0	0	0	109.1	T292 Q298 A299	T292-W294 PolarHBondContact OG1-NE1 3Å; W294-Q298 CarbonylContact C-O 3.59Å; W294-Q298 WeakPolarHBondContact CA-O 3.47Å; W294-A299 HydrophobicContact CD2-CB 4.45Å; W294-A299 HydrophobicContact CE3-CB 4.46Å
295	L	88.6	Confident	81.5	Confident	26 Å²	26	88.7 Å²	88.7	14%	0.136	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.7	175	178.8	64.1	0	0	0	108.5	D297 Q298 I300 L311 I313 V393	L295-D297 VanDerWaalsContact C-N 3.29Å; L295-D297 PolarHBondContact O-N 3.04Å; L295-Q298 PolarHBondContact N-O 3.1Å; L295-Q298 WeakPolarHBondContact O-CB 3.46Å; L295-Q298 PolarHBondContact O-N 3.06Å; L295-I300 HydrophobicContact CB-CD1 3.68Å; L295-I300 HydrophobicContact CB-CG1 4.13Å; L295-I300 HydrophobicContact CB-CG2 4.21Å; L295-I300 HydrophobicContact CD2-CD1 4.05Å; L295-L311 WeakPolarHBondContact CD2-O 3.42Å; L295-I313 HydrophobicContact CD2-CG1 4.32Å; L295-V393 HydrophobicContact CD1-CG2 3.79Å
296	E	86.4	Confident	81.6	Confident	99 Å²	99	88 Å²	88	46%	0.463	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	49.2	-173.3	-60.7	-173.9	142.4	0	0	112.3	Q298 K392	E296-Q298 PolarHBondContact O-N 3.19Å; E296-K392 WeakPolarHBondContact OE2-CE 3.3Å; E296-K392 IonicContact OE2-NZ 2.65Å; E296-K392 PolarHBondContact OE2-NZ 2.72Å
297	D	80.9	Confident	82.1	Confident	151 Å²	151	85 Å²	85	81%	0.807	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	9.4	-178.2	-51.8	-46.3	0	0	0	115.1	L295	L295-D297 VanDerWaalsContact C-N 3.29Å; L295-D297 PolarHBondContact O-N 3.04Å
298	Q	85.4	Confident	82.9	Confident	137 Å²	137	79.4 Å²	79.4	64%	0.64	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.7	173	-60.8	-173	-2.5	0	0	110.7	W294 L295 E296 I300	W294-Q298 CarbonylContact C-O 3.59Å; W294-Q298 WeakPolarHBondContact CA-O 3.47Å; L295-Q298 PolarHBondContact N-O 3.1Å; L295-Q298 WeakPolarHBondContact O-CB 3.46Å; L295-Q298 PolarHBondContact O-N 3.06Å; E296-Q298 PolarHBondContact O-N 3.19Å; Q298-I300 PolarHBondContact O-N 3.19Å
299	A	86.9	Confident	83.7	Confident	69 Å²	69	79.6 Å²	79.6	57%	0.57	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	123.5	171.3	0	0	0	0	0	110.1	I293 W294	I293-A299 CarbonylContact O-C 3.53Å; I293-A299 WeakPolarHBondContact O-CA 3.43Å; W294-A299 HydrophobicContact CD2-CB 4.45Å; W294-A299 HydrophobicContact CE3-CB 4.46Å
300	I	87.4	Confident	84.8	Confident	21 Å²	21	80.1 Å²	80.1	11%	0.108	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.3	179.8	60.7	163.5	0	0	0	111.4	I293 L295 Q298 P302 L311 I313	I293-I300 HydrophobicContact CB-CG1 3.93Å; I293-I300 HydrophobicContact CG2-CD1 3.76Å; I293-I300 HydrophobicContact CG2-CG1 3.6Å; I293-I300 PolarHBondContact O-N 2.99Å; L295-I300 HydrophobicContact CB-CD1 3.68Å; L295-I300 HydrophobicContact CB-CG1 4.13Å; L295-I300 HydrophobicContact CB-CG2 4.21Å; L295-I300 HydrophobicContact CD2-CD1 4.05Å; Q298-I300 PolarHBondContact O-N 3.19Å; I300-P302 HydrophobicContact CD1-CG 4.3Å; I300-L311 HydrophobicContact CB-CD1 4.14Å; I300-L311 HydrophobicContact CD1-CD1 4.35Å; I300-L311 HydrophobicContact CG2-CD1 4.41Å; I300-L311 HydrophobicContact CG2-CD2 4.12Å; I300-I313 HydrophobicContact CD1-CD1 3.72Å
301	S	88	Confident	86.2	Confident	87 Å²	87	78 Å²	78	61%	0.608	43%	0.428	S	S	*	.			trans	-139.1	87.2	172.7	-173.9	0	0	0	0	109.2	K303 H307	S301-K303 PolarHBondContact O-N 3.18Å; S301-H307 PolarHBondContact O-CE1 3.23Å
302	P	89.3	Confident	87.2	Confident	5 Å²	5	74.8 Å²	74.8	3%	0.032	40%	0.395	C	S	.	.			trans	-58	132.6	177.6	-24.7	35.5	0	0	0	111.2	L282 I300 A308 L311 I313	L282-P302 WeakPolarHBondContact O-CG 3.33Å; I300-P302 HydrophobicContact CD1-CG 4.3Å; P302-A308 HydrophobicContact CB-CB 3.93Å; P302-A308 HydrophobicContact CG-CB 4.46Å; P302-L311 HydrophobicContact CB-CD1 4.39Å; P302-L311 HydrophobicContact CG-CD1 3.98Å; P302-I313 HydrophobicContact CG-CD1 4.43Å
303	K	89	Confident	88.1	Confident	142 Å²	142	70.2 Å²	70.2	62%	0.617	37%	0.366	S	S	*	.			trans	-97.5	-20.2	-175.1	-69.1	-178.6	-178.2	178.3	0	113.2	H287 S301 H307	H287-K303 PolarHBondContact CE1-O 3.01Å; H287-K303 VanDerWaalsContact CE1-O 3.25Å; S301-K303 PolarHBondContact O-N 3.18Å; K303-H307 HydrophobicContact CB-CB 4.36Å; K303-H307 PolarHBondContact N-ND1 2.97Å; K303-H307 VanDerWaalsContact N-ND1 3.15Å
304	N	88.2	Confident	88.4	Confident	76 Å²	76	68.3 Å²	68.3	41%	0.406	36%	0.357	S	S	.	.	S	Bend	trans	-174	172.7	-178.9	52.3	58.8	0	0	0	107.2	T283 G284 A306 H307 A308	T283-N304 CarbonylContact O-C 3.55Å; G284-N304 WeakPolarHBondContact O-CA 3.47Å; N304-A306 VanDerWaalsContact C-N 3.28Å; N304-A306 PolarHBondContact O-N 3.47Å; N304-A306 WeakPolarHBondContact OD1-CB 3.22Å; N304-A306 PolarHBondContact OD1-N 2.88Å; N304-H307 PolarHBondContact O-N 3.06Å; N304-H307 VanDerWaalsContact O-N 3.11Å; N304-H307 PolarHBondContact OD1-N 3.25Å; N304-A308 PolarHBondContact O-N 2.95Å
305	T	88.5	Confident	88.7	Confident	74 Å²	74	61.9 Å²	61.9	45%	0.454	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-36.2	-178	52.2	0	0	0	0	113.3	T283 V285 A308 Q309	T283-T305 VanDerWaalsContact O-CA 3.31Å; T283-T305 WeakPolarHBondContact O-CA 3.48Å; T283-T305 PolarHBondContact O-N 2.97Å; V285-T305 HydrophobicContact CG2-CG2 3.46Å; V285-T305 VanDerWaalsContact CG2-CG2 3.46Å; T305-A308 PolarHBondContact O-N 3.27Å; T305-Q309 WeakPolarHBondContact O-CB 3.08Å; T305-Q309 PolarHBondContact O-N 3.38Å
306	A	86.6	Confident	88.8	Confident	51 Å²	51	61 Å²	61	42%	0.421	33%	0.332	S	S	.	.	H	α-helix	trans	-67.8	-39.8	177.3	0	0	0	0	0	111.9	N304 Q309 Q310	N304-A306 VanDerWaalsContact C-N 3.28Å; N304-A306 PolarHBondContact O-N 3.47Å; N304-A306 WeakPolarHBondContact OD1-CB 3.22Å; N304-A306 PolarHBondContact OD1-N 2.88Å; A306-Q309 PolarHBondContact O-N 3.26Å; A306-Q310 WeakPolarHBondContact O-CG 3.3Å; A306-Q310 PolarHBondContact O-N 3.11Å
307	H	91.1	Very high	88.6	Confident	50 Å²	50	59.3 Å²	59.3	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-43.1	174.8	-173.8	-152.4	0	0	0	111.2	S301 K303 N304 Q309 Q310 L311	S301-H307 PolarHBondContact O-CE1 3.23Å; K303-H307 HydrophobicContact CB-CB 4.36Å; K303-H307 PolarHBondContact N-ND1 2.97Å; K303-H307 VanDerWaalsContact N-ND1 3.15Å; N304-H307 PolarHBondContact O-N 3.06Å; N304-H307 VanDerWaalsContact O-N 3.11Å; N304-H307 PolarHBondContact OD1-N 3.25Å; H307-Q309 VanDerWaalsContact C-N 3.27Å; H307-Q309 PolarHBondContact O-N 3.48Å; H307-Q310 PolarHBondContact O-N 2.98Å; H307-L311 VanDerWaalsContact O-CG 3.3Å; H307-L311 WeakPolarHBondContact O-CG 3.29Å; H307-L311 PolarHBondContact O-N 3.41Å
308	A	90.9	Very high	88.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55.1	-45	173.8	0	0	0	0	0	111.7	T283 P302 N304 T305 L311 G312 I313	T283-A308 WeakPolarHBondContact O-CB 3.29Å; P302-A308 HydrophobicContact CB-CB 3.93Å; P302-A308 HydrophobicContact CG-CB 4.46Å; N304-A308 PolarHBondContact O-N 2.95Å; T305-A308 PolarHBondContact O-N 3.27Å; A308-L311 WeakPolarHBondContact O-CB 3.48Å; A308-L311 PolarHBondContact O-N 3.29Å; A308-G312 PolarHBondContact O-N 3.17Å; A308-I313 CarbonylContact C-O 3.57Å; A308-I313 HydrophobicContact CB-CB 4.28Å; A308-I313 WeakPolarHBondContact O-CB 3.38Å; A308-I313 PolarHBondContact O-N 2.72Å
309	Q	88.7	Confident	87.3	Confident	63 Å²	63	58.8 Å²	58.8	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-40.9	178	-177.3	158.7	60.7	0	0	113.1	T305 A306 H307 L311 G312 I313 L389	T305-Q309 WeakPolarHBondContact O-CB 3.08Å; T305-Q309 PolarHBondContact O-N 3.38Å; A306-Q309 PolarHBondContact O-N 3.26Å; H307-Q309 VanDerWaalsContact C-N 3.27Å; H307-Q309 PolarHBondContact O-N 3.48Å; Q309-L311 VanDerWaalsContact C-N 3.26Å; Q309-L311 PolarHBondContact O-N 3.07Å; Q309-G312 WeakPolarHBondContact O-CA 3.11Å; Q309-G312 PolarHBondContact O-N 2.66Å; Q309-I313 WeakPolarHBondContact CA-O 3.46Å; Q309-I313 PolarHBondContact N-O 3.36Å; Q309-L389 VanDerWaalsContact CD-CD1 3.46Å; Q309-L389 HydrophobicContact CG-CB 3.89Å; Q309-L389 HydrophobicContact CG-CD2 4.25Å; Q309-L389 HydrophobicContact CG-CG 4.4Å
310	Q	88.7	Confident	86.3	Confident	161 Å²	161	57.4 Å²	57.4	75%	0.752	30%	0.298	S	S	*	.	H	α-helix	trans	-62.3	-33.4	173.6	-73.1	171.7	-0.5	0	0	112.8	A306 H307 G312	A306-Q310 WeakPolarHBondContact O-CG 3.3Å; A306-Q310 PolarHBondContact O-N 3.11Å; H307-Q310 PolarHBondContact O-N 2.98Å; Q310-G312 PolarHBondContact O-N 3.39Å
311	L	91.3	Very high	85.7	Confident	44 Å²	44	61.8 Å²	61.8	23%	0.23	32%	0.322	C	S	.	.	H	α-helix	trans	-71.9	-12.8	173.8	-65.3	166.8	0	0	0	112.4	L295 I300 P302 H307 A308 Q309	L295-L311 WeakPolarHBondContact CD2-O 3.42Å; I300-L311 HydrophobicContact CB-CD1 4.14Å; I300-L311 HydrophobicContact CD1-CD1 4.35Å; I300-L311 HydrophobicContact CG2-CD1 4.41Å; I300-L311 HydrophobicContact CG2-CD2 4.12Å; P302-L311 HydrophobicContact CB-CD1 4.39Å; P302-L311 HydrophobicContact CG-CD1 3.98Å; H307-L311 VanDerWaalsContact O-CG 3.3Å; H307-L311 WeakPolarHBondContact O-CG 3.29Å; H307-L311 PolarHBondContact O-N 3.41Å; A308-L311 WeakPolarHBondContact O-CB 3.48Å; A308-L311 PolarHBondContact O-N 3.29Å; Q309-L311 VanDerWaalsContact C-N 3.26Å; Q309-L311 PolarHBondContact O-N 3.07Å
312	G	91.7	Very high	85.7	Confident	3 Å²	3	58.4 Å²	58.4	3%	0.031	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.5	18.9	-179.4	0	0	0	0	0	114.2	A308 Q309 Q310 A391 K392 V393	A308-G312 PolarHBondContact O-N 3.17Å; Q309-G312 WeakPolarHBondContact O-CA 3.11Å; Q309-G312 PolarHBondContact O-N 2.66Å; Q310-G312 PolarHBondContact O-N 3.39Å; G312-A391 CarbonylContact O-C 3.54Å; G312-A391 WeakPolarHBondContact O-CA 3.48Å; G312-K392 PolarHBondContact O-N 2.81Å; G312-V393 PolarHBondContact O-N 3.08Å
313	I	93.1	Very high	85.9	Confident	10 Å²	10	61.4 Å²	61.4	5%	0.051	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	102.9	175.5	-54.1	175.2	0	0	0	109.2	L295 I300 P302 A308 Q309 V393 I395	L295-I313 HydrophobicContact CD2-CG1 4.32Å; I300-I313 HydrophobicContact CD1-CD1 3.72Å; P302-I313 HydrophobicContact CG-CD1 4.43Å; A308-I313 CarbonylContact C-O 3.57Å; A308-I313 HydrophobicContact CB-CB 4.28Å; A308-I313 WeakPolarHBondContact O-CB 3.38Å; A308-I313 PolarHBondContact O-N 2.72Å; Q309-I313 WeakPolarHBondContact CA-O 3.46Å; Q309-I313 PolarHBondContact N-O 3.36Å; I313-V393 WeakPolarHBondContact CA-O 3.24Å; I313-I395 HydrophobicContact CG2-CD1 4.05Å
314	G	91.8	Very high	85.8	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	150.3	172.1	0	0	0	0	0	111.6	V393 I395	G314-V393 PolarHBondContact N-O 3.35Å; G314-I395 PolarHBondContact O-N 3.02Å
315	T	90.4	Very high	86	Confident	30 Å²	30	59.8 Å²	59.8	18%	0.184	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	134.8	177.9	-50.6	0	0	0	0	110.8	I279 T283 Y317 I395	I279-T315 HydrophobicContact CG2-CG2 4.09Å; T283-T315 HydrophobicContact CG2-CG2 4.35Å; T283-T315 WeakPolarHBondContact CG2-OG1 3.49Å; T315-Y317 HydrophobicContact CG2-CD1 4Å; T315-Y317 HydrophobicContact CG2-CD2 4.11Å; T315-Y317 HydrophobicContact CG2-CE1 3.69Å; T315-Y317 HydrophobicContact CG2-CE2 3.8Å; T315-Y317 HydrophobicContact CG2-CG 4.21Å; T315-I395 CarbonylContact C-O 3.58Å; T315-I395 WeakPolarHBondContact CA-O 3.24Å; T315-I395 HydrophobicContact CG2-CB 4.01Å; T315-I395 HydrophobicContact CG2-CG2 4.21Å
316	V	90.1	Very high	86.3	Confident	8 Å²	8	59.6 Å²	59.6	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	109.2	167.8	-173.2	0	0	0	0	106.6	A382 I383 A386 L394 I395 L396 D397	V316-A382 HydrophobicContact CG1-CB 3.83Å; V316-A382 HydrophobicContact CG2-CB 4.33Å; V316-I383 HydrophobicContact CG2-CG1 3.99Å; V316-A386 HydrophobicContact CG2-CB 4.37Å; V316-L394 HydrophobicContact CG2-CD1 4.36Å; V316-I395 PolarHBondContact N-O 3.41Å; V316-L396 HydrophobicContact CB-CD2 3.88Å; V316-L396 HydrophobicContact CG2-CD2 3.91Å; V316-D397 PolarHBondContact O-N 2.84Å
317	Y	83.6	Confident	86.8	Confident	63 Å²	63	57.9 Å²	57.9	25%	0.247	29%	0.294	C	S	.	.			trans	-77.8	161.8	178.6	-64.7	-77.2	0	0	0	110.9	I279 T283 T315 E319	I279-Y317 HydrophobicContact CG2-CE1 4Å; T283-Y317 PolarHBondContact OG1-OH 3.11Å; T315-Y317 HydrophobicContact CG2-CD1 4Å; T315-Y317 HydrophobicContact CG2-CD2 4.11Å; T315-Y317 HydrophobicContact CG2-CE1 3.69Å; T315-Y317 HydrophobicContact CG2-CE2 3.8Å; T315-Y317 HydrophobicContact CG2-CG 4.21Å; Y317-E319 VanDerWaalsContact C-N 3.29Å; Y317-E319 CarbonylContact O-C 3.49Å; Y317-E319 PolarHBondContact O-N 3.23Å
318	Q	72.1	Confident	87	Confident	117 Å²	117	55.5 Å²	55.5	55%	0.547	28%	0.283	S	S	.	.	S	Bend	trans	-53.1	-42.6	-179.5	-176.3	178.3	-3.5	0	0	113.1	D397 E398	Q318-D397 WeakPolarHBondContact CA-O 3.48Å; Q318-D397 PolarHBondContact N-O 3.3Å; Q318-E398 HydrophobicContact CB-CB 4.25Å; Q318-E398 HydrophobicContact CG-CB 3.89Å
319	E	66.3	Low	87.3	Confident	159 Å²	159	55.5 Å²	55.5	74%	0.743	28%	0.283	S	S	*	.	S	Bend	trans	-86.8	118.3	167.6	-71.2	-175.8	177.8	0	0	110	Y317 N321	Y317-E319 VanDerWaalsContact C-N 3.29Å; Y317-E319 CarbonylContact O-C 3.49Å; Y317-E319 PolarHBondContact O-N 3.23Å; E319-N321 PolarHBondContact O-N 3.38Å
320	V	66.3	Low	87.6	Confident	41 Å²	41	53.7 Å²	53.7	25%	0.248	28%	0.275	C	S	.	.			trans	-67.7	100.1	179.8	-177.2	0	0	0	0	109.6	L322 A382	V320-L322 HydrophobicContact CG1-CB 3.81Å; V320-L322 HydrophobicContact CG1-CD1 3.49Å; V320-L322 VanDerWaalsContact CG1-CD1 3.49Å; V320-L322 HydrophobicContact CG1-CG 3.42Å; V320-L322 VanDerWaalsContact CG1-CG 3.42Å; V320-L322 PolarHBondContact O-N 2.83Å; V320-A382 HydrophobicContact CG1-CB 4.12Å
321	N	75	Confident	87.9	Confident	113 Å²	113	46 Å²	46	60%	0.604	24%	0.239	S	C	*	.			trans	-72.7	62.6	173.3	-70	-45.3	0	0	0	111.4	E319 R385	E319-N321 PolarHBondContact O-N 3.38Å; N321-R385 PolarHBondContact O-NH1 2.95Å; N321-R385 PolarHBondContact O-NH2 3.08Å
322	L	87.4	Confident	88	Confident	16 Å²	16	44 Å²	44	8%	0.084	23%	0.229	C	C	.	.	S	Bend	trans	-117	167.6	171.2	-66.4	-176.9	0	0	0	109.4	V320 P324 N331 L370 Q378 V381 A382	V320-L322 HydrophobicContact CG1-CB 3.81Å; V320-L322 HydrophobicContact CG1-CD1 3.49Å; V320-L322 VanDerWaalsContact CG1-CD1 3.49Å; V320-L322 HydrophobicContact CG1-CG 3.42Å; V320-L322 VanDerWaalsContact CG1-CG 3.42Å; V320-L322 PolarHBondContact O-N 2.83Å; L322-P324 WeakPolarHBondContact O-CD 3.19Å; L322-N331 WeakPolarHBondContact CB-OD1 3.25Å; L322-N331 HydrophobicContact CD2-CB 4.09Å; L322-L370 HydrophobicContact CB-CD2 3.52Å; L322-L370 HydrophobicContact CD1-CD2 3.51Å; L322-L370 HydrophobicContact CG-CD2 4.13Å; L322-Q378 WeakPolarHBondContact CD1-O 3.47Å; L322-V381 HydrophobicContact CD1-CB 4.31Å; L322-V381 HydrophobicContact CD1-CG1 4Å; L322-A382 HydrophobicContact CD1-CB 3.93Å; L322-A382 HydrophobicContact CG-CB 4.37Å
323	L	92.3	Very high	88.1	Confident	67 Å²	67	44 Å²	44	35%	0.351	23%	0.228	S	C	.	.			trans	-103.9	98.8	180	-62.7	175.4	0	0	0	108.2	N325 M326 N331 I334	L323-N325 PolarHBondContact O-N 3.14Å; L323-M326 HydrophobicContact CB-CB 3.93Å; L323-M326 HydrophobicContact CB-CG 3.81Å; L323-M326 HydrophobicContact CB-SD 4.09Å; L323-M326 HydrophobicContact CD1-CG 4.18Å; L323-M326 HydrophobicContact CD1-SD 3.33Å; L323-M326 WeakPolarHBondContact CD1-SD 3.39Å; L323-M326 HydrophobicContact CG-SD 4.35Å; L323-M326 PolarHBondContact O-N 3.44Å; L323-N331 PolarHBondContact N-OD1 3.14Å; L323-N331 PolarHBondContact O-ND2 3.32Å; L323-I334 HydrophobicContact CD1-CD1 3.59Å; L323-I334 HydrophobicContact CG-CD1 4.48Å
324	P	88.1	Confident	88	Confident	63 Å²	63	46.9 Å²	46.9	41%	0.409	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.9	-170.1	-22.6	34.3	0	0	0	113.3	L322 L370 N371	L322-P324 WeakPolarHBondContact O-CD 3.19Å; P324-L370 PolarHBondContact O-N 2.98Å; P324-N371 HydrophobicContact CB-CB 3.91Å; P324-N371 WeakPolarHBondContact O-CB 3.44Å; P324-N371 VanDerWaalsContact O-CG 3.3Å; P324-N371 PolarHBondContact O-N 3.41Å
325	N	91.9	Very high	87.7	Confident	122 Å²	122	49.9 Å²	49.9	65%	0.652	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5	178.7	64	-38.2	0	0	0	113.8	L323	L323-N325 PolarHBondContact O-N 3.14Å
326	M	95	Very high	87.6	Confident	69 Å²	69	52.1 Å²	52.1	34%	0.34	28%	0.279	S	S	.	.	S	Bend	trans	-99.6	159.3	175.5	-66.3	-162.8	78.4	0	0	111.4	L323 D330 N331 P369 L370	L323-M326 HydrophobicContact CB-CB 3.93Å; L323-M326 HydrophobicContact CB-CG 3.81Å; L323-M326 HydrophobicContact CB-SD 4.09Å; L323-M326 HydrophobicContact CD1-CG 4.18Å; L323-M326 HydrophobicContact CD1-SD 3.33Å; L323-M326 WeakPolarHBondContact CD1-SD 3.39Å; L323-M326 HydrophobicContact CG-SD 4.35Å; L323-M326 PolarHBondContact O-N 3.44Å; M326-D330 HydrophobicContact CB-CB 4.1Å; M326-D330 HydrophobicContact CE-CB 3.66Å; M326-D330 HydrophobicContact SD-CB 4.47Å; M326-N331 PolarHBondContact O-ND2 3.39Å; M326-P369 WeakPolarHBondContact O-CA 3.37Å; M326-L370 PolarHBondContact O-N 3.19Å
327	S	96.4	Very high	87.7	Confident	15 Å²	15	53.8 Å²	53.8	11%	0.105	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-64.5	159.1	-179.4	71.6	0	0	0	0	111.9	A329 D330 N331 V366 R367 E368	S327-A329 PolarHBondContact O-N 3.29Å; S327-D330 WeakPolarHBondContact CB-OD2 3.5Å; S327-D330 PolarHBondContact N-OD2 3.07Å; S327-D330 PolarHBondContact O-N 2.87Å; S327-D330 PolarHBondContact OG-N 3.35Å; S327-D330 PolarHBondContact OG-OD2 3.04Å; S327-N331 PolarHBondContact O-N 2.8Å; S327-N331 PolarHBondContact O-ND2 2.9Å; S327-V366 WeakPolarHBondContact CB-O 3.48Å; S327-R367 WeakPolarHBondContact CB-O 3.36Å; S327-E368 VanDerWaalsContact CA-O 3.3Å; S327-E368 WeakPolarHBondContact CA-O 3.34Å
328	V	96.1	Very high	88.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-41.7	171.8	173.4	0	0	0	0	110.7	D330 N331 L332 L364 V366 E368 L370 F373 V381	V328-D330 PolarHBondContact O-N 2.65Å; V328-N331 PolarHBondContact O-N 3.32Å; V328-L332 HydrophobicContact CG1-CD1 3.92Å; V328-L332 HydrophobicContact CG1-CG 4.34Å; V328-L332 WeakPolarHBondContact O-CG 3.46Å; V328-L332 PolarHBondContact O-N 2.98Å; V328-L364 HydrophobicContact CG1-CD1 4.29Å; V328-L364 HydrophobicContact CG2-CD1 3.94Å; V328-V366 HydrophobicContact CB-CB 4.36Å; V328-V366 HydrophobicContact CG1-CB 4.5Å; V328-V366 HydrophobicContact CG1-CG1 4.37Å; V328-V366 PolarHBondContact N-O 3.3Å; V328-E368 PolarHBondContact N-O 3.19Å; V328-L370 HydrophobicContact CG2-CD1 4.05Å; V328-F373 HydrophobicContact CG2-CD2 3.97Å; V328-F373 HydrophobicContact CG2-CE2 3.65Å; V328-F373 HydrophobicContact CG2-CZ 4.46Å; V328-V381 HydrophobicContact CG1-CG1 4.19Å; V328-V381 HydrophobicContact CG1-CG2 3.71Å; V328-V381 HydrophobicContact CG2-CG2 4.5Å
329	A	96.3	Very high	89	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-44	177.2	0	0	0	0	0	112.6	S327 N331 L332 F333 M349 A353 V366	S327-A329 PolarHBondContact O-N 3.29Å; A329-N331 VanDerWaalsContact C-N 3.34Å; A329-N331 PolarHBondContact O-N 3.02Å; A329-L332 PolarHBondContact O-N 2.9Å; A329-F333 WeakPolarHBondContact O-CD2 3.31Å; A329-F333 PolarHBondContact O-N 3.04Å; A329-M349 HydrophobicContact CB-CE 4.35Å; A329-M349 HydrophobicContact CB-CG 4.41Å; A329-A353 HydrophobicContact CB-CB 3.81Å; A329-V366 HydrophobicContact CB-CB 4.29Å; A329-V366 HydrophobicContact CB-CG2 4.37Å; A329-V366 WeakPolarHBondContact CB-O 3.35Å; A329-V366 PolarHBondContact N-O 2.86Å
330	D	95.6	Very high	90.1	Very high	24 Å²	24	51.4 Å²	51.4	13%	0.128	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-41.6	176.9	-62.9	-51.1	0	0	0	111	M326 S327 V328 F333 I334 R346 M349	M326-D330 HydrophobicContact CB-CB 4.1Å; M326-D330 HydrophobicContact CE-CB 3.66Å; M326-D330 HydrophobicContact SD-CB 4.47Å; S327-D330 WeakPolarHBondContact CB-OD2 3.5Å; S327-D330 PolarHBondContact N-OD2 3.07Å; S327-D330 PolarHBondContact O-N 2.87Å; S327-D330 PolarHBondContact OG-N 3.35Å; S327-D330 PolarHBondContact OG-OD2 3.04Å; V328-D330 PolarHBondContact O-N 2.65Å; D330-F333 PolarHBondContact O-N 2.99Å; D330-I334 WeakPolarHBondContact O-CB 3.41Å; D330-I334 PolarHBondContact O-N 3.29Å; D330-R346 IonicContact OD1-NH1 3.74Å; D330-R346 PolarHBondContact OD1-NH1 3.17Å; D330-M349 WeakPolarHBondContact OD1-CE 3.3Å
331	N	94.9	Very high	91.1	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-41.9	179.1	-87.2	-71.9	0	0	0	113	L322 L323 M326 S327 V328 A329 F333 V381 R385	L322-N331 WeakPolarHBondContact CB-OD1 3.25Å; L322-N331 HydrophobicContact CD2-CB 4.09Å; L323-N331 PolarHBondContact N-OD1 3.14Å; L323-N331 PolarHBondContact O-ND2 3.32Å; M326-N331 PolarHBondContact O-ND2 3.39Å; S327-N331 PolarHBondContact O-N 2.8Å; S327-N331 PolarHBondContact O-ND2 2.9Å; V328-N331 PolarHBondContact O-N 3.32Å; A329-N331 VanDerWaalsContact C-N 3.34Å; A329-N331 PolarHBondContact O-N 3.02Å; N331-F333 VanDerWaalsContact C-N 3.34Å; N331-F333 PolarHBondContact O-N 3.04Å; N331-V381 HydrophobicContact CB-CG1 4.26Å; N331-R385 WeakPolarHBondContact O-CD 3.38Å
332	L	94.4	Very high	91.7	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-37.5	178.2	-74	169.9	0	0	0	112.8	V328 A329 R336 A353 L356 M357 V381 C384 R385	V328-L332 HydrophobicContact CG1-CD1 3.92Å; V328-L332 HydrophobicContact CG1-CG 4.34Å; V328-L332 WeakPolarHBondContact O-CG 3.46Å; V328-L332 PolarHBondContact O-N 2.98Å; A329-L332 PolarHBondContact O-N 2.9Å; L332-R336 PolarHBondContact O-NH2 3.26Å; L332-A353 HydrophobicContact CD1-CB 3.77Å; L332-L356 HydrophobicContact CD1-CD2 4.33Å; L332-L356 HydrophobicContact CD2-CD2 4.01Å; L332-M357 HydrophobicContact CD1-CG 4.18Å; L332-M357 HydrophobicContact CD1-SD 4.31Å; L332-V381 HydrophobicContact CD2-CG1 3.95Å; L332-V381 WeakPolarHBondContact CD2-O 3.44Å; L332-V381 HydrophobicContact CG-CG1 4.09Å; L332-C384 HydrophobicContact CD2-CB 3.83Å; L332-R385 HydrophobicContact CD2-CB 4.2Å
333	F	94	Very high	91.9	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-111.4	10.4	-171.1	-63	-65.7	0	0	0	115.1	A329 D330 N331 G335 R336 E337 M349 R352 A353	A329-F333 WeakPolarHBondContact O-CD2 3.31Å; A329-F333 PolarHBondContact O-N 3.04Å; D330-F333 PolarHBondContact O-N 2.99Å; N331-F333 VanDerWaalsContact C-N 3.34Å; N331-F333 PolarHBondContact O-N 3.04Å; F333-G335 PolarHBondContact O-N 2.8Å; F333-R336 CarbonylContact O-C 3.59Å; F333-R336 WeakPolarHBondContact O-CA 3.36Å; F333-R336 PolarHBondContact O-N 2.88Å; F333-E337 PolarHBondContact O-N 3Å; F333-E337 VanDerWaalsContact O-N 3.12Å; F333-M349 HydrophobicContact CB-CG 4.11Å; F333-M349 HydrophobicContact CB-SD 4.19Å; F333-M349 HydrophobicContact CD2-CG 3.43Å; F333-M349 VanDerWaalsContact CD2-CG 3.43Å; F333-M349 HydrophobicContact CD2-SD 4.49Å; F333-M349 HydrophobicContact CE2-CG 4.2Å; F333-M349 WeakPolarHBondContact CE2-O 3.44Å; F333-M349 HydrophobicContact CG-CG 4.07Å; F333-R352 HydrophobicContact CE1-CB 4.49Å; F333-R352 HydrophobicContact CE2-CB 3.92Å; F333-R352 HydrophobicContact CZ-CB 3.59Å; F333-A353 HydrophobicContact CE2-CB 3.89Å
334	I	89.2	Confident	91.9	Very high	71 Å²	71	62.2 Å²	62.2	36%	0.364	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	128.6	178.9	-166.2	167	0	0	0	111.9	L323 D330 R336	L323-I334 HydrophobicContact CD1-CD1 3.59Å; L323-I334 HydrophobicContact CG-CD1 4.48Å; D330-I334 WeakPolarHBondContact O-CB 3.41Å; D330-I334 PolarHBondContact O-N 3.29Å; I334-R336 PolarHBondContact O-N 2.8Å
335	G	86.9	Confident	92.2	Very high	64 Å²	64	65 Å²	65	66%	0.66	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-6	-175.4	0	0	0	0	0	115.1	F333 E337	F333-G335 PolarHBondContact O-N 2.8Å; G335-E337 PolarHBondContact N-OE1 3.39Å
336	R	87.8	Confident	92.2	Very high	77 Å²	77	65.1 Å²	65.1	29%	0.291	33%	0.326	S	S	.	.			trans	-132.4	28.8	-179.1	-59.4	-174.2	-64.8	141	9.1	111.5	L332 F333 I334 D388 L389	L332-R336 PolarHBondContact O-NH2 3.26Å; F333-R336 CarbonylContact O-C 3.59Å; F333-R336 WeakPolarHBondContact O-CA 3.36Å; F333-R336 PolarHBondContact O-N 2.88Å; I334-R336 PolarHBondContact O-N 2.8Å; R336-D388 IonicContact CZ-OD2 2.77Å; R336-D388 PolarHBondContact NH1-O 3.09Å; R336-D388 IonicContact NH1-OD2 3.6Å; R336-D388 PolarHBondContact NH1-OD2 3.3Å; R336-D388 IonicContact NH2-OD2 2.85Å; R336-D388 PolarHBondContact NH2-OD2 2.88Å; R336-L389 VanDerWaalsContact CD-CD2 3.44Å; R336-L389 VanDerWaalsContact NE-CD2 3.26Å
337	E	92.6	Very high	92.2	Very high	43 Å²	43	70.5 Å²	70.5	20%	0.201	35%	0.348	C	S	.	.			trans	-67.3	134.4	-173.2	-47.1	82.9	-178.6	0	0	109.7	F333 G335 K339 L344 M349	F333-E337 PolarHBondContact O-N 3Å; F333-E337 VanDerWaalsContact O-N 3.12Å; G335-E337 PolarHBondContact N-OE1 3.39Å; E337-K339 WeakPolarHBondContact O-CG 3.44Å; E337-K339 PolarHBondContact O-N 2.85Å; E337-K339 WeakPolarHBondContact OE2-CE 3.35Å; E337-K339 IonicContact OE2-NZ 3.61Å; E337-K339 PolarHBondContact OE2-NZ 3.09Å; E337-L344 HydrophobicContact CB-CD2 3.33Å; E337-L344 HydrophobicContact CG-CD2 3.88Å; E337-M349 HydrophobicContact CB-SD 4.34Å; E337-M349 HydrophobicContact CG-SD 4.43Å
338	P	91.3	Very high	92.1	Very high	13 Å²	13	72.9 Å²	72.9	8%	0.084	36%	0.357	C	S	.	.			trans	-56.8	116.4	173.8	-24.6	33.8	0	0	0	110.5	R345 E348 M349	P338-R345 HydrophobicContact CB-CB 4.24Å; P338-R345 PolarHBondContact O-N 3.44Å; P338-E348 HydrophobicContact CB-CG 4.32Å; P338-E348 HydrophobicContact CG-CG 4.47Å; P338-M349 HydrophobicContact CG-CB 4.25Å
339	K	91.4	Very high	92	Very high	121 Å²	121	73 Å²	73	53%	0.526	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.4	-176.6	-75.2	164.1	-165.1	168.3	0	111.2	E337 L343 L344	E337-K339 WeakPolarHBondContact O-CG 3.44Å; E337-K339 PolarHBondContact O-N 2.85Å; E337-K339 WeakPolarHBondContact OE2-CE 3.35Å; E337-K339 IonicContact OE2-NZ 3.61Å; E337-K339 PolarHBondContact OE2-NZ 3.09Å; K339-L343 CarbonylContact C-O 3.59Å; K339-L343 WeakPolarHBondContact CA-O 3.47Å; K339-L344 HydrophobicContact CD-CD2 4.39Å; K339-L344 HydrophobicContact CG-CD2 3.86Å
340	R	88.6	Confident	92.1	Very high	155 Å²	155	75.7 Å²	75.7	59%	0.585	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	122.3	168.5	-168.7	-178.8	-176.7	-177.9	2	108.9	G342 L343 R345	R340-G342 PolarHBondContact O-N 2.87Å; R340-L343 PolarHBondContact N-O 3.04Å; R340-L343 PolarHBondContact O-N 2.93Å; R340-R345 HydrophobicContact CB-CG 4.19Å
341	F	88.7	Confident	92.1	Very high	189 Å²	189	80.8 Å²	80.8	83%	0.829	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.8	-173.7	-53.4	-68.5	0	0	0	113.4	L343	F341-L343 PolarHBondContact O-N 2.62Å
342	G	87.6	Confident	92.1	Very high	67 Å²	67	85 Å²	85	69%	0.691	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-11.6	-177.6	0	0	0	0	0	115.6	R340	R340-G342 PolarHBondContact O-N 2.87Å
343	L	91.1	Very high	92.2	Very high	131 Å²	131	84.9 Å²	84.9	69%	0.686	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.7	178.3	-68.1	165.1	0	0	0	111.7	K339 R340 F341	K339-L343 CarbonylContact C-O 3.59Å; K339-L343 WeakPolarHBondContact CA-O 3.47Å; R340-L343 PolarHBondContact N-O 3.04Å; R340-L343 PolarHBondContact O-N 2.93Å; F341-L343 PolarHBondContact O-N 2.62Å
344	L	91.1	Very high	92.3	Very high	77 Å²	77	88.2 Å²	88.2	40%	0.403	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.2	177	-63.9	176.6	0	0	0	111.5	E337 K339 R346	E337-L344 HydrophobicContact CB-CD2 3.33Å; E337-L344 HydrophobicContact CG-CD2 3.88Å; K339-L344 HydrophobicContact CD-CD2 4.39Å; K339-L344 HydrophobicContact CG-CD2 3.86Å; L344-R346 PolarHBondContact O-N 2.84Å; L344-R346 VanDerWaalsContact O-N 3.17Å
345	R	94.4	Very high	92.6	Very high	123 Å²	123	89.9 Å²	89.9	46%	0.464	43%	0.433	S	S	.	.			trans	-87.2	74.8	173.3	-65	-169.2	69.2	-166.5	4.9	110.8	P338 R340 K347 E348 M349	P338-R345 HydrophobicContact CB-CB 4.24Å; P338-R345 PolarHBondContact O-N 3.44Å; R340-R345 HydrophobicContact CB-CG 4.19Å; R345-K347 VanDerWaalsContact C-N 3.35Å; R345-K347 PolarHBondContact O-N 3.42Å; R345-E348 HydrophobicContact CB-CB 3.93Å; R345-E348 WeakPolarHBondContact CD-OE2 3.45Å; R345-E348 IonicContact CZ-OE2 3.26Å; R345-E348 IonicContact NE-OE2 2.58Å; R345-E348 PolarHBondContact NE-OE2 3.24Å; R345-E348 IonicContact NH1-OE2 2.62Å; R345-E348 PolarHBondContact NH1-OE2 2.96Å; R345-E348 IonicContact NH2-OE2 4Å; R345-E348 WeakPolarHBondContact O-CB 3.48Å; R345-E348 PolarHBondContact O-N 2.67Å; R345-M349 PolarHBondContact O-N 3.07Å
346	R	93.4	Very high	93	Very high	124 Å²	124	87.9 Å²	87.9	47%	0.468	41%	0.407	S	S	.	.	H	α-helix	trans	-50.3	-47.6	-178	-70.8	-166.2	173.2	-77.6	-1.7	114	D330 L344 E348 M349 E350	D330-R346 IonicContact OD1-NH1 3.74Å; D330-R346 PolarHBondContact OD1-NH1 3.17Å; L344-R346 PolarHBondContact O-N 2.84Å; L344-R346 VanDerWaalsContact O-N 3.17Å; R346-E348 VanDerWaalsContact C-N 3.28Å; R346-E348 PolarHBondContact O-N 3.34Å; R346-M349 WeakPolarHBondContact O-CB 3.16Å; R346-M349 PolarHBondContact O-N 3.39Å; R346-M349 VanDerWaalsContact O-N 3.14Å; R346-E350 WeakPolarHBondContact O-CB 3.36Å; R346-E350 WeakPolarHBondContact O-CG 3.3Å; R346-E350 PolarHBondContact O-N 3.33Å
347	K	93.6	Very high	93.4	Very high	182 Å²	182	84.3 Å²	84.3	79%	0.791	39%	0.394	S	S	*	.	H	α-helix	trans	-60	-35.9	178.8	-65.4	-170.9	177.6	-175.9	0	113.7	R345 K351	R345-K347 VanDerWaalsContact C-N 3.35Å; R345-K347 PolarHBondContact O-N 3.42Å; K347-K351 WeakPolarHBondContact O-CB 3.48Å; K347-K351 PolarHBondContact O-N 3.1Å; K347-K351 VanDerWaalsContact O-N 3.12Å
348	E	95.1	Very high	93.5	Very high	64 Å²	64	85 Å²	85	30%	0.299	41%	0.407	S	S	.	.	H	α-helix	trans	-72.7	-41.9	177.3	-177.5	-176.8	163.9	0	0	110.7	P338 R345 R346 K351 R352	P338-E348 HydrophobicContact CB-CG 4.32Å; P338-E348 HydrophobicContact CG-CG 4.47Å; R345-E348 HydrophobicContact CB-CB 3.93Å; R345-E348 WeakPolarHBondContact CD-OE2 3.45Å; R345-E348 IonicContact CZ-OE2 3.26Å; R345-E348 IonicContact NE-OE2 2.58Å; R345-E348 PolarHBondContact NE-OE2 3.24Å; R345-E348 IonicContact NH1-OE2 2.62Å; R345-E348 PolarHBondContact NH1-OE2 2.96Å; R345-E348 IonicContact NH2-OE2 4Å; R345-E348 WeakPolarHBondContact O-CB 3.48Å; R345-E348 PolarHBondContact O-N 2.67Å; R346-E348 VanDerWaalsContact C-N 3.28Å; R346-E348 PolarHBondContact O-N 3.34Å; E348-K351 PolarHBondContact O-N 3.04Å; E348-R352 WeakPolarHBondContact O-CB 3.27Å; E348-R352 WeakPolarHBondContact O-CG 3.49Å; E348-R352 PolarHBondContact O-N 2.99Å
349	M	95	Very high	93.5	Very high	2 Å²	2	86.9 Å²	86.9	1%	0.01	42%	0.42	C	S	.	.	H	α-helix	trans	-62.2	-45.7	177	-169.1	174.8	69.6	0	0	111.9	A329 D330 F333 E337 P338 R345 R346 R352 A353	A329-M349 HydrophobicContact CB-CE 4.35Å; A329-M349 HydrophobicContact CB-CG 4.41Å; D330-M349 WeakPolarHBondContact OD1-CE 3.3Å; F333-M349 HydrophobicContact CB-CG 4.11Å; F333-M349 HydrophobicContact CB-SD 4.19Å; F333-M349 HydrophobicContact CD2-CG 3.43Å; F333-M349 VanDerWaalsContact CD2-CG 3.43Å; F333-M349 HydrophobicContact CD2-SD 4.49Å; F333-M349 HydrophobicContact CE2-CG 4.2Å; F333-M349 WeakPolarHBondContact CE2-O 3.44Å; F333-M349 HydrophobicContact CG-CG 4.07Å; E337-M349 HydrophobicContact CB-SD 4.34Å; E337-M349 HydrophobicContact CG-SD 4.43Å; P338-M349 HydrophobicContact CG-CB 4.25Å; R345-M349 PolarHBondContact O-N 3.07Å; R346-M349 WeakPolarHBondContact O-CB 3.16Å; R346-M349 PolarHBondContact O-N 3.39Å; R346-M349 VanDerWaalsContact O-N 3.14Å; M349-R352 PolarHBondContact O-N 2.96Å; M349-A353 WeakPolarHBondContact O-CB 3.44Å; M349-A353 PolarHBondContact O-N 3.4Å
350	E	96.5	Very high	93.5	Very high	58 Å²	58	82.1 Å²	82.1	27%	0.271	40%	0.399	S	S	.	.	H	α-helix	trans	-59.7	-48.1	174.2	-71.9	164.2	-155.8	0	0	111.1	R346 R352 A353 T354 V366 R367	R346-E350 WeakPolarHBondContact O-CB 3.36Å; R346-E350 WeakPolarHBondContact O-CG 3.3Å; R346-E350 PolarHBondContact O-N 3.33Å; E350-R352 PolarHBondContact O-N 3.35Å; E350-A353 PolarHBondContact O-N 2.9Å; E350-T354 PolarHBondContact O-N 2.87Å; E350-T354 PolarHBondContact O-OG1 2.92Å; E350-T354 VanDerWaalsContact O-OG1 3.09Å; E350-V366 HydrophobicContact CB-CG2 4.32Å; E350-R367 HydrophobicContact CG-CG 4.01Å
351	K	96.1	Very high	93.7	Very high	131 Å²	131	78 Å²	78	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-57.5	-49.3	177	-179.2	-179.9	171.3	-178.9	0	111.8	K347 E348 A353 T354 E355	K347-K351 WeakPolarHBondContact O-CB 3.48Å; K347-K351 PolarHBondContact O-N 3.1Å; K347-K351 VanDerWaalsContact O-N 3.12Å; E348-K351 PolarHBondContact O-N 3.04Å; K351-A353 VanDerWaalsContact C-N 3.33Å; K351-A353 PolarHBondContact O-N 2.93Å; K351-T354 PolarHBondContact O-N 3.31Å; K351-E355 WeakPolarHBondContact CE-OE1 3.33Å; K351-E355 IonicContact NZ-OE1 2.83Å; K351-E355 WeakPolarHBondContact O-CG 3.37Å; K351-E355 PolarHBondContact O-N 3.34Å
352	R	95.5	Very high	93.9	Very high	90 Å²	90	70.2 Å²	70.2	34%	0.34	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-38.2	178.5	-72.7	178.6	61.9	-174.7	-5.1	112.2	F333 E348 M349 E350 L356	F333-R352 HydrophobicContact CE1-CB 4.49Å; F333-R352 HydrophobicContact CE2-CB 3.92Å; F333-R352 HydrophobicContact CZ-CB 3.59Å; E348-R352 WeakPolarHBondContact O-CB 3.27Å; E348-R352 WeakPolarHBondContact O-CG 3.49Å; E348-R352 PolarHBondContact O-N 2.99Å; M349-R352 PolarHBondContact O-N 2.96Å; E350-R352 PolarHBondContact O-N 3.35Å; R352-L356 VanDerWaalsContact O-CB 3.28Å; R352-L356 WeakPolarHBondContact O-CB 3.5Å; R352-L356 PolarHBondContact O-N 3.45Å
353	A	96.2	Very high	94.1	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-64.2	-46.5	176.5	0	0	0	0	0	111.1	A329 L332 F333 M349 E350 K351 L356 M357 V366	A329-A353 HydrophobicContact CB-CB 3.81Å; L332-A353 HydrophobicContact CD1-CB 3.77Å; F333-A353 HydrophobicContact CE2-CB 3.89Å; M349-A353 WeakPolarHBondContact O-CB 3.44Å; M349-A353 PolarHBondContact O-N 3.4Å; E350-A353 PolarHBondContact O-N 2.9Å; K351-A353 VanDerWaalsContact C-N 3.33Å; K351-A353 PolarHBondContact O-N 2.93Å; A353-L356 PolarHBondContact O-N 3.02Å; A353-M357 WeakPolarHBondContact O-CG 3.08Å; A353-M357 PolarHBondContact O-N 3.46Å; A353-V366 HydrophobicContact CB-CB 3.9Å; A353-V366 HydrophobicContact CB-CG1 3.91Å; A353-V366 HydrophobicContact CB-CG2 4.01Å
354	T	97.1	Very high	94.1	Very high	71 Å²	71	68.1 Å²	68.1	44%	0.436	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-45.3	177.5	-58.5	0	0	0	0	111.4	E350 K351 A358 V366	E350-T354 PolarHBondContact O-N 2.87Å; E350-T354 PolarHBondContact O-OG1 2.92Å; E350-T354 VanDerWaalsContact O-OG1 3.09Å; K351-T354 PolarHBondContact O-N 3.31Å; T354-A358 WeakPolarHBondContact O-CB 3.38Å; T354-A358 PolarHBondContact O-N 2.95Å; T354-V366 WeakPolarHBondContact OG1-CG2 3.43Å
355	E	95.7	Very high	94.4	Very high	105 Å²	105	67.1 Å²	67.1	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-43.3	177.2	-73.1	170.7	172.8	0	0	111.9	K351 S359	K351-E355 WeakPolarHBondContact CE-OE1 3.33Å; K351-E355 IonicContact NZ-OE1 2.83Å; K351-E355 WeakPolarHBondContact O-CG 3.37Å; K351-E355 PolarHBondContact O-N 3.34Å; E355-S359 WeakPolarHBondContact O-CB 3.3Å; E355-S359 PolarHBondContact O-N 3.5Å
356	L	93.9	Very high	94.4	Very high	23 Å²	23	61.5 Å²	61.5	12%	0.12	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-51.3	178.3	178.9	61.9	0	0	0	111.5	L332 R352 A353 S359 Y360 C384 D388	L332-L356 HydrophobicContact CD1-CD2 4.33Å; L332-L356 HydrophobicContact CD2-CD2 4.01Å; R352-L356 VanDerWaalsContact O-CB 3.28Å; R352-L356 WeakPolarHBondContact O-CB 3.5Å; R352-L356 PolarHBondContact O-N 3.45Å; A353-L356 PolarHBondContact O-N 3.02Å; L356-S359 WeakPolarHBondContact O-CB 3.44Å; L356-S359 PolarHBondContact O-N 3.2Å; L356-S359 PolarHBondContact O-OG 3.42Å; L356-Y360 HydrophobicContact CD1-CD2 4.46Å; L356-Y360 HydrophobicContact CD1-CE2 3.86Å; L356-Y360 VanDerWaalsContact O-CD2 3.31Å; L356-Y360 WeakPolarHBondContact O-CD2 3.47Å; L356-C384 HydrophobicContact CD2-CB 4.29Å; L356-C384 HydrophobicContact CG-CB 4.44Å; L356-D388 HydrophobicContact CD1-CB 4.42Å; L356-D388 HydrophobicContact CD2-CB 3.92Å
357	M	95.6	Very high	94.5	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-42.3	-179.6	-65.8	-59.9	-70.1	0	0	111.6	L332 A353 S359 Y360 G361 F362 L364 M377 I380 V381 C384	L332-M357 HydrophobicContact CD1-CG 4.18Å; L332-M357 HydrophobicContact CD1-SD 4.31Å; A353-M357 WeakPolarHBondContact O-CG 3.08Å; A353-M357 PolarHBondContact O-N 3.46Å; M357-S359 VanDerWaalsContact C-N 3.27Å; M357-S359 PolarHBondContact O-N 3.13Å; M357-Y360 PolarHBondContact O-N 2.94Å; M357-Y360 VanDerWaalsContact O-N 3.1Å; M357-G361 PolarHBondContact O-N 3.18Å; M357-F362 CarbonylContact C-O 3.59Å; M357-F362 VanDerWaalsContact C-O 3.24Å; M357-F362 HydrophobicContact CB-CB 4.39Å; M357-F362 HydrophobicContact CE-CB 3.96Å; M357-F362 HydrophobicContact CE-CD2 4.43Å; M357-F362 HydrophobicContact CE-CG 4.4Å; M357-F362 PolarHBondContact O-N 2.95Å; M357-L364 HydrophobicContact CB-CD2 3.81Å; M357-L364 HydrophobicContact CE-CD1 4.41Å; M357-L364 HydrophobicContact CE-CD2 3.63Å; M357-L364 HydrophobicContact CG-CD2 3.97Å; M357-M377 HydrophobicContact CE-SD 3.87Å; M357-I380 HydrophobicContact CE-CG2 3.96Å; M357-V381 HydrophobicContact CE-CG2 3.85Å; M357-V381 HydrophobicContact SD-CG2 4.32Å; M357-C384 HydrophobicContact SD-CB 4.03Å
358	A	94.7	Very high	94.7	Very high	59 Å²	59	57 Å²	57	49%	0.488	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-33.1	176.3	0	0	0	0	0	112.4	T354 Y360 G361 F362	T354-A358 WeakPolarHBondContact O-CB 3.38Å; T354-A358 PolarHBondContact O-N 2.95Å; A358-Y360 PolarHBondContact O-N 2.9Å; A358-Y360 VanDerWaalsContact O-N 3.14Å; A358-G361 PolarHBondContact O-N 3.32Å; A358-F362 PolarHBondContact N-O 2.88Å
359	S	92.1	Very high	94.7	Very high	51 Å²	51	55.7 Å²	55.7	36%	0.357	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.3	176.7	83.9	0	0	0	0	114.1	E355 L356 M357 Q417 R421	E355-S359 WeakPolarHBondContact O-CB 3.3Å; E355-S359 PolarHBondContact O-N 3.5Å; L356-S359 WeakPolarHBondContact O-CB 3.44Å; L356-S359 PolarHBondContact O-N 3.2Å; L356-S359 PolarHBondContact O-OG 3.42Å; M357-S359 VanDerWaalsContact C-N 3.27Å; M357-S359 PolarHBondContact O-N 3.13Å; S359-Q417 PolarHBondContact O-NE2 3.46Å; S359-Q417 VanDerWaalsContact O-NE2 3.17Å; S359-R421 PolarHBondContact O-NH2 2.89Å
360	Y	91.9	Very high	94.6	Very high	21 Å²	21	55.6 Å²	55.6	8%	0.082	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	11.6	174.7	-66	-66.9	0	0	0	112.9	L356 M357 A358 F362 I387 L414 L418	L356-Y360 HydrophobicContact CD1-CD2 4.46Å; L356-Y360 HydrophobicContact CD1-CE2 3.86Å; L356-Y360 VanDerWaalsContact O-CD2 3.31Å; L356-Y360 WeakPolarHBondContact O-CD2 3.47Å; M357-Y360 PolarHBondContact O-N 2.94Å; M357-Y360 VanDerWaalsContact O-N 3.1Å; A358-Y360 PolarHBondContact O-N 2.9Å; A358-Y360 VanDerWaalsContact O-N 3.14Å; Y360-F362 WeakPolarHBondContact O-CD2 3.47Å; Y360-F362 WeakPolarHBondContact O-CE2 3.45Å; Y360-I387 WeakPolarHBondContact OH-CG2 3.41Å; Y360-L414 HydrophobicContact CD1-CD1 3.42Å; Y360-L414 VanDerWaalsContact CD1-CD1 3.42Å; Y360-L414 HydrophobicContact CE1-CD1 4.07Å; Y360-L414 HydrophobicContact CG-CD1 3.77Å; Y360-L418 HydrophobicContact CE1-CD2 3.55Å; Y360-L418 HydrophobicContact CE1-CG 4.42Å
361	G	91.7	Very high	94.3	Very high	69 Å²	69	57.2 Å²	57.2	71%	0.711	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	9.9	176.6	0	0	0	0	0	115.1	M357 A358	M357-G361 PolarHBondContact O-N 3.18Å; A358-G361 PolarHBondContact O-N 3.32Å
362	F	93.2	Very high	94.1	Very high	26 Å²	26	59.4 Å²	59.4	11%	0.114	32%	0.321	C	S	.	.			trans	-100.4	120.7	-179.3	-58.2	-69.8	0	0	0	111.6	M357 A358 Y360 L364 M377 I380 L414	M357-F362 CarbonylContact C-O 3.59Å; M357-F362 VanDerWaalsContact C-O 3.24Å; M357-F362 HydrophobicContact CB-CB 4.39Å; M357-F362 HydrophobicContact CE-CB 3.96Å; M357-F362 HydrophobicContact CE-CD2 4.43Å; M357-F362 HydrophobicContact CE-CG 4.4Å; M357-F362 PolarHBondContact O-N 2.95Å; A358-F362 PolarHBondContact N-O 2.88Å; Y360-F362 WeakPolarHBondContact O-CD2 3.47Å; Y360-F362 WeakPolarHBondContact O-CE2 3.45Å; F362-L364 HydrophobicContact CB-CD2 4.12Å; F362-M377 HydrophobicContact CD1-CE 3.94Å; F362-M377 HydrophobicContact CG-CE 4.47Å; F362-I380 HydrophobicContact CD1-CD1 4.37Å; F362-I380 HydrophobicContact CD2-CG2 3.66Å; F362-I380 HydrophobicContact CE1-CD1 3.61Å; F362-I380 HydrophobicContact CE1-CG2 4.46Å; F362-I380 HydrophobicContact CE2-CD1 4.28Å; F362-I380 HydrophobicContact CE2-CG1 4.45Å; F362-I380 HydrophobicContact CE2-CG2 3.49Å; F362-I380 VanDerWaalsContact CE2-CG2 3.49Å; F362-I380 HydrophobicContact CG-CG2 4.23Å; F362-I380 HydrophobicContact CZ-CD1 3.56Å; F362-I380 HydrophobicContact CZ-CG1 4.11Å; F362-I380 HydrophobicContact CZ-CG2 3.93Å; F362-L414 HydrophobicContact CE2-CB 4.49Å; F362-L414 HydrophobicContact CE2-CD1 4.37Å; F362-L414 HydrophobicContact CE2-CD2 4.35Å; F362-L414 HydrophobicContact CZ-CB 4.46Å
363	S	91.3	Very high	93.9	Very high	127 Å²	127	57.4 Å²	57.4	89%	0.888	32%	0.315	S	S	*	.			trans	-109.2	114.8	175.2	-173.5	0	0	0	0	109.8
364	L	93	Very high	93.4	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.141	34%	0.335	C	S	.	.			trans	-153.2	157.7	-180	66.1	163.1	0	0	0	110.8	V328 M357 F362 V366 F373 M377	V328-L364 HydrophobicContact CG1-CD1 4.29Å; V328-L364 HydrophobicContact CG2-CD1 3.94Å; M357-L364 HydrophobicContact CB-CD2 3.81Å; M357-L364 HydrophobicContact CE-CD1 4.41Å; M357-L364 HydrophobicContact CE-CD2 3.63Å; M357-L364 HydrophobicContact CG-CD2 3.97Å; F362-L364 HydrophobicContact CB-CD2 4.12Å; L364-V366 PolarHBondContact O-N 2.93Å; L364-F373 HydrophobicContact CB-CE1 3.76Å; L364-F373 HydrophobicContact CB-CZ 4.11Å; L364-F373 HydrophobicContact CD1-CD1 4.15Å; L364-F373 HydrophobicContact CD1-CE1 3.79Å; L364-F373 HydrophobicContact CD1-CE2 4.21Å; L364-F373 HydrophobicContact CD1-CZ 3.82Å; L364-F373 HydrophobicContact CG-CE1 4.41Å; L364-F373 HydrophobicContact CG-CZ 4.47Å; L364-M377 HydrophobicContact CD1-CG 4.17Å; L364-M377 HydrophobicContact CD1-SD 4Å; L364-M377 HydrophobicContact CD2-SD 4.46Å
365	D	95.5	Very high	92.8	Very high	56 Å²	56	59.8 Å²	59.8	30%	0.299	33%	0.332	S	S	.	.			trans	-76	104.5	170.7	-169.7	-14.4	0	0	0	110	R367 E368	D365-R367 PolarHBondContact O-N 2.64Å; D365-R367 VanDerWaalsContact O-N 3.1Å; D365-R367 VanDerWaalsContact OD1-CB 3.28Å; D365-R367 WeakPolarHBondContact OD1-CB 3.25Å; D365-R367 WeakPolarHBondContact OD1-CG 3.45Å; D365-R367 IonicContact OD1-CZ 3.47Å; D365-R367 PolarHBondContact OD1-N 3.43Å; D365-R367 IonicContact OD1-NE 3.43Å; D365-R367 PolarHBondContact OD1-NE 3.06Å; D365-R367 IonicContact OD1-NH2 3.98Å; D365-R367 IonicContact OD2-CZ 3.2Å; D365-R367 IonicContact OD2-NE 2.65Å; D365-R367 PolarHBondContact OD2-NE 2.99Å; D365-R367 IonicContact OD2-NH2 3.44Å; D365-R367 PolarHBondContact OD2-NH2 3.36Å; D365-E368 HydrophobicContact CB-CG 3.83Å; D365-E368 WeakPolarHBondContact O-CB 3.49Å; D365-E368 PolarHBondContact O-N 3.43Å
366	V	95.9	Very high	92.3	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.024	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8	-177.3	-60.8	0	0	0	0	114	S327 V328 A329 E350 A353 T354 L364	S327-V366 WeakPolarHBondContact CB-O 3.48Å; V328-V366 HydrophobicContact CB-CB 4.36Å; V328-V366 HydrophobicContact CG1-CB 4.5Å; V328-V366 HydrophobicContact CG1-CG1 4.37Å; V328-V366 PolarHBondContact N-O 3.3Å; A329-V366 HydrophobicContact CB-CB 4.29Å; A329-V366 HydrophobicContact CB-CG2 4.37Å; A329-V366 WeakPolarHBondContact CB-O 3.35Å; A329-V366 PolarHBondContact N-O 2.86Å; E350-V366 HydrophobicContact CB-CG2 4.32Å; A353-V366 HydrophobicContact CB-CB 3.9Å; A353-V366 HydrophobicContact CB-CG1 3.91Å; A353-V366 HydrophobicContact CB-CG2 4.01Å; T354-V366 WeakPolarHBondContact OG1-CG2 3.43Å; L364-V366 PolarHBondContact O-N 2.93Å
367	R	95.8	Very high	92.1	Very high	153 Å²	153	55.1 Å²	55.1	58%	0.577	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-19.8	177.2	-57.7	167.4	-63.9	-178.1	5.8	112.4	S327 E350 D365	S327-R367 WeakPolarHBondContact CB-O 3.36Å; E350-R367 HydrophobicContact CG-CG 4.01Å; D365-R367 PolarHBondContact O-N 2.64Å; D365-R367 VanDerWaalsContact O-N 3.1Å; D365-R367 VanDerWaalsContact OD1-CB 3.28Å; D365-R367 WeakPolarHBondContact OD1-CB 3.25Å; D365-R367 WeakPolarHBondContact OD1-CG 3.45Å; D365-R367 IonicContact OD1-CZ 3.47Å; D365-R367 PolarHBondContact OD1-N 3.43Å; D365-R367 IonicContact OD1-NE 3.43Å; D365-R367 PolarHBondContact OD1-NE 3.06Å; D365-R367 IonicContact OD1-NH2 3.98Å; D365-R367 IonicContact OD2-CZ 3.2Å; D365-R367 IonicContact OD2-NE 2.65Å; D365-R367 PolarHBondContact OD2-NE 2.99Å; D365-R367 IonicContact OD2-NH2 3.44Å; D365-R367 PolarHBondContact OD2-NH2 3.36Å
368	E	96.9	Very high	91.9	Very high	59 Å²	59	56.7 Å²	56.7	28%	0.276	32%	0.317	S	S	.	.	S	Bend	trans	-69.8	144.3	178.4	-70.9	-72.4	161.7	0	0	110.6	S327 V328 D365 R372 F373	S327-E368 VanDerWaalsContact CA-O 3.3Å; S327-E368 WeakPolarHBondContact CA-O 3.34Å; V328-E368 PolarHBondContact N-O 3.19Å; D365-E368 HydrophobicContact CB-CG 3.83Å; D365-E368 WeakPolarHBondContact O-CB 3.49Å; D365-E368 PolarHBondContact O-N 3.43Å; E368-R372 IonicContact OE1-NH1 3.19Å; E368-R372 PolarHBondContact OE1-NH1 3.36Å; E368-R372 WeakPolarHBondContact OE2-CD 3.24Å; E368-R372 IonicContact OE2-CZ 3.82Å; E368-R372 VanDerWaalsContact OE2-CZ 3.3Å; E368-R372 IonicContact OE2-NE 4Å; E368-R372 PolarHBondContact OE2-NE 3.46Å; E368-R372 IonicContact OE2-NH1 2.78Å; E368-R372 PolarHBondContact OE2-NH1 3Å; E368-F373 HydrophobicContact CB-CE2 3.78Å; E368-F373 HydrophobicContact CB-CZ 3.86Å
369	P	96	Very high	91.7	Very high	36 Å²	36	54.2 Å²	54.2	23%	0.234	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-61.5	142.5	175.3	27.6	-35.3	0	0	0	110.9	M326 N371 R372	M326-P369 WeakPolarHBondContact O-CA 3.37Å; P369-N371 PolarHBondContact O-N 3.24Å; P369-N371 VanDerWaalsContact O-N 3.17Å; P369-R372 HydrophobicContact CG-CG 4.06Å; P369-R372 WeakPolarHBondContact O-CB 3.34Å; P369-R372 PolarHBondContact O-N 3.48Å
370	L	92.8	Very high	91.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-58.3	-32.8	-173.5	-176.3	67.4	0	0	0	113.1	L322 P324 M326 V328 R372 F373 Q378 V381	L322-L370 HydrophobicContact CB-CD2 3.52Å; L322-L370 HydrophobicContact CD1-CD2 3.51Å; L322-L370 HydrophobicContact CG-CD2 4.13Å; P324-L370 PolarHBondContact O-N 2.98Å; M326-L370 PolarHBondContact O-N 3.19Å; V328-L370 HydrophobicContact CG2-CD1 4.05Å; L370-R372 PolarHBondContact O-N 3.24Å; L370-F373 PolarHBondContact O-N 3.4Å; L370-Q378 HydrophobicContact CD1-CB 4.24Å; L370-Q378 HydrophobicContact CD1-CG 3.91Å; L370-Q378 HydrophobicContact CD2-CB 4.34Å; L370-Q378 HydrophobicContact CD2-CG 4.29Å; L370-Q378 HydrophobicContact CG-CB 4.28Å; L370-Q378 HydrophobicContact CG-CG 3.77Å; L370-V381 HydrophobicContact CD1-CB 4.23Å; L370-V381 HydrophobicContact CD1-CG1 4.25Å; L370-V381 HydrophobicContact CD1-CG2 4.14Å
371	N	90	Very high	91.8	Very high	93 Å²	93	50.8 Å²	50.8	50%	0.497	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-67.8	-9	178.8	68.9	-2.2	0	0	0	115.2	P324 P369 F373	P324-N371 HydrophobicContact CB-CB 3.91Å; P324-N371 WeakPolarHBondContact O-CB 3.44Å; P324-N371 VanDerWaalsContact O-CG 3.3Å; P324-N371 PolarHBondContact O-N 3.41Å; P369-N371 PolarHBondContact O-N 3.24Å; P369-N371 VanDerWaalsContact O-N 3.17Å; N371-F373 VanDerWaalsContact C-N 3.27Å
372	R	92	Very high	91.9	Very high	176 Å²	176	47.7 Å²	47.7	66%	0.664	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-79.6	-11.9	170.5	-78.7	-177.4	170.6	-158.4	-4.4	112.9	E368 P369 L370	E368-R372 IonicContact OE1-NH1 3.19Å; E368-R372 PolarHBondContact OE1-NH1 3.36Å; E368-R372 WeakPolarHBondContact OE2-CD 3.24Å; E368-R372 IonicContact OE2-CZ 3.82Å; E368-R372 VanDerWaalsContact OE2-CZ 3.3Å; E368-R372 IonicContact OE2-NE 4Å; E368-R372 PolarHBondContact OE2-NE 3.46Å; E368-R372 IonicContact OE2-NH1 2.78Å; E368-R372 PolarHBondContact OE2-NH1 3Å; P369-R372 HydrophobicContact CG-CG 4.06Å; P369-R372 WeakPolarHBondContact O-CB 3.34Å; P369-R372 PolarHBondContact O-N 3.48Å; L370-R372 PolarHBondContact O-N 3.24Å
373	F	90.7	Very high	91.9	Very high	49 Å²	49	46.5 Å²	46.5	22%	0.215	24%	0.237	C	C	.	.	S	Bend	trans	-103.4	155.3	179.9	-57.3	-81.4	0	0	0	111.5	V328 L364 E368 L370 N371 M377 Q378	V328-F373 HydrophobicContact CG2-CD2 3.97Å; V328-F373 HydrophobicContact CG2-CE2 3.65Å; V328-F373 HydrophobicContact CG2-CZ 4.46Å; L364-F373 HydrophobicContact CB-CE1 3.76Å; L364-F373 HydrophobicContact CB-CZ 4.11Å; L364-F373 HydrophobicContact CD1-CD1 4.15Å; L364-F373 HydrophobicContact CD1-CE1 3.79Å; L364-F373 HydrophobicContact CD1-CE2 4.21Å; L364-F373 HydrophobicContact CD1-CZ 3.82Å; L364-F373 HydrophobicContact CG-CE1 4.41Å; L364-F373 HydrophobicContact CG-CZ 4.47Å; E368-F373 HydrophobicContact CB-CE2 3.78Å; E368-F373 HydrophobicContact CB-CZ 3.86Å; L370-F373 PolarHBondContact O-N 3.4Å; N371-F373 VanDerWaalsContact C-N 3.27Å; F373-M377 HydrophobicContact CB-CB 3.81Å; F373-M377 HydrophobicContact CB-CG 3.72Å; F373-M377 HydrophobicContact CD1-CG 4.18Å; F373-M377 HydrophobicContact CG-CG 4.05Å; F373-Q378 PolarHBondContact O-NE2 3.28Å
374	S	86.5	Confident	92	Very high	58 Å²	58	40.5 Å²	40.5	41%	0.406	20%	0.195	S	C	.	.			trans	-62.8	158.8	179.5	90.6	0	0	0	0	111.7	A376 M377 Q378 E407	S374-A376 PolarHBondContact O-N 2.95Å; S374-M377 WeakPolarHBondContact O-CB 3.42Å; S374-M377 PolarHBondContact O-N 2.99Å; S374-Q378 WeakPolarHBondContact O-CG 3.32Å; S374-Q378 PolarHBondContact O-N 2.92Å; S374-E407 WeakPolarHBondContact CB-OE1 3.46Å; S374-E407 PolarHBondContact OG-OE1 2.94Å
375	V	83.3	Confident	91.9	Very high	62 Å²	62	41.7 Å²	41.7	38%	0.376	20%	0.198	S	C	.	.	H	α-helix	trans	-58.6	-37.2	-177.8	-177.5	0	0	0	0	110.9	M377 Q378 Q379 S402 L403	V375-M377 PolarHBondContact O-N 3.47Å; V375-Q378 WeakPolarHBondContact O-CB 2.99Å; V375-Q378 PolarHBondContact O-N 2.78Å; V375-Q378 VanDerWaalsContact O-N 3.13Å; V375-Q379 PolarHBondContact O-N 3.1Å; V375-S402 WeakPolarHBondContact CG1-OG 3.4Å; V375-L403 HydrophobicContact CB-CD2 3.94Å; V375-L403 HydrophobicContact CG1-CD2 3.9Å
376	A	85.8	Confident	91.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-44.5	173.7	0	0	0	0	0	112.8	S374 Q378 Q379 I380 L403 E407	S374-A376 PolarHBondContact O-N 2.95Å; A376-Q378 VanDerWaalsContact C-N 3.29Å; A376-Q378 PolarHBondContact O-N 2.77Å; A376-Q379 WeakPolarHBondContact O-CB 3.03Å; A376-Q379 PolarHBondContact O-N 3.35Å; A376-I380 WeakPolarHBondContact O-CD1 3.35Å; A376-I380 VanDerWaalsContact O-CG1 3.3Å; A376-I380 WeakPolarHBondContact O-CG1 3.41Å; A376-I380 PolarHBondContact O-N 3.31Å; A376-L403 HydrophobicContact CB-CD1 4.09Å; A376-L403 HydrophobicContact CB-CD2 3.88Å; A376-E407 HydrophobicContact CB-CB 3.69Å; A376-E407 HydrophobicContact CB-CG 3.7Å
377	M	90.1	Very high	91.2	Very high	30 Å²	30	40 Å²	40	15%	0.148	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-36.3	176.9	-175.2	58.6	66	0	0	111.5	M357 F362 L364 F373 S374 V375 Q379 I380 V381	M357-M377 HydrophobicContact CE-SD 3.87Å; F362-M377 HydrophobicContact CD1-CE 3.94Å; F362-M377 HydrophobicContact CG-CE 4.47Å; L364-M377 HydrophobicContact CD1-CG 4.17Å; L364-M377 HydrophobicContact CD1-SD 4Å; L364-M377 HydrophobicContact CD2-SD 4.46Å; F373-M377 HydrophobicContact CB-CB 3.81Å; F373-M377 HydrophobicContact CB-CG 3.72Å; F373-M377 HydrophobicContact CD1-CG 4.18Å; F373-M377 HydrophobicContact CG-CG 4.05Å; S374-M377 WeakPolarHBondContact O-CB 3.42Å; S374-M377 PolarHBondContact O-N 2.99Å; V375-M377 PolarHBondContact O-N 3.47Å; M377-Q379 VanDerWaalsContact C-N 3.33Å; M377-Q379 PolarHBondContact O-N 2.91Å; M377-I380 PolarHBondContact O-N 2.94Å; M377-I380 HydrophobicContact SD-CB 4.47Å; M377-I380 HydrophobicContact SD-CG2 4.35Å; M377-V381 VanDerWaalsContact O-CG2 3.31Å; M377-V381 WeakPolarHBondContact O-CG2 3.29Å; M377-V381 PolarHBondContact O-N 3.04Å
378	Q	91.1	Very high	90.8	Very high	34 Å²	34	34.9 Å²	34.9	16%	0.159	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-40.3	174.7	-53.7	-176.2	26.5	0	0	111.5	L322 L370 F373 S374 V375 A376 V381 A382	L322-Q378 WeakPolarHBondContact CD1-O 3.47Å; L370-Q378 HydrophobicContact CD1-CB 4.24Å; L370-Q378 HydrophobicContact CD1-CG 3.91Å; L370-Q378 HydrophobicContact CD2-CB 4.34Å; L370-Q378 HydrophobicContact CD2-CG 4.29Å; L370-Q378 HydrophobicContact CG-CB 4.28Å; L370-Q378 HydrophobicContact CG-CG 3.77Å; F373-Q378 PolarHBondContact O-NE2 3.28Å; S374-Q378 WeakPolarHBondContact O-CG 3.32Å; S374-Q378 PolarHBondContact O-N 2.92Å; V375-Q378 WeakPolarHBondContact O-CB 2.99Å; V375-Q378 PolarHBondContact O-N 2.78Å; V375-Q378 VanDerWaalsContact O-N 3.13Å; A376-Q378 VanDerWaalsContact C-N 3.29Å; A376-Q378 PolarHBondContact O-N 2.77Å; Q378-V381 PolarHBondContact O-N 2.7Å; Q378-A382 PolarHBondContact O-N 3.03Å
379	Q	89.5	Confident	90.1	Very high	7 Å²	7	34 Å²	34	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-46.2	173.5	-162	69.1	14	0	0	111.6	V375 A376 M377 V381 A382 I383 P399 L411	V375-Q379 PolarHBondContact O-N 3.1Å; A376-Q379 WeakPolarHBondContact O-CB 3.03Å; A376-Q379 PolarHBondContact O-N 3.35Å; M377-Q379 VanDerWaalsContact C-N 3.33Å; M377-Q379 PolarHBondContact O-N 2.91Å; Q379-V381 VanDerWaalsContact C-N 3.32Å; Q379-V381 PolarHBondContact O-N 3.22Å; Q379-A382 WeakPolarHBondContact O-CB 3.49Å; Q379-A382 PolarHBondContact O-N 3.31Å; Q379-A382 VanDerWaalsContact O-N 3.11Å; Q379-I383 HydrophobicContact CG-CD1 4.36Å; Q379-I383 WeakPolarHBondContact O-CG1 3.45Å; Q379-I383 PolarHBondContact O-N 3.47Å; Q379-P399 HydrophobicContact CG-CB 4.15Å; Q379-L411 HydrophobicContact CG-CD1 4.38Å
380	I	93.3	Very high	89.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-44.8	176.2	-72.8	160.4	0	0	0	110.5	M357 F362 A376 M377 A382 I383 C384 L410 L414	M357-I380 HydrophobicContact CE-CG2 3.96Å; F362-I380 HydrophobicContact CD1-CD1 4.37Å; F362-I380 HydrophobicContact CD2-CG2 3.66Å; F362-I380 HydrophobicContact CE1-CD1 3.61Å; F362-I380 HydrophobicContact CE1-CG2 4.46Å; F362-I380 HydrophobicContact CE2-CD1 4.28Å; F362-I380 HydrophobicContact CE2-CG1 4.45Å; F362-I380 HydrophobicContact CE2-CG2 3.49Å; F362-I380 VanDerWaalsContact CE2-CG2 3.49Å; F362-I380 HydrophobicContact CG-CG2 4.23Å; F362-I380 HydrophobicContact CZ-CD1 3.56Å; F362-I380 HydrophobicContact CZ-CG1 4.11Å; F362-I380 HydrophobicContact CZ-CG2 3.93Å; A376-I380 WeakPolarHBondContact O-CD1 3.35Å; A376-I380 VanDerWaalsContact O-CG1 3.3Å; A376-I380 WeakPolarHBondContact O-CG1 3.41Å; A376-I380 PolarHBondContact O-N 3.31Å; M377-I380 PolarHBondContact O-N 2.94Å; M377-I380 HydrophobicContact SD-CB 4.47Å; M377-I380 HydrophobicContact SD-CG2 4.35Å; I380-A382 VanDerWaalsContact C-N 3.31Å; I380-A382 PolarHBondContact O-N 3.47Å; I380-I383 WeakPolarHBondContact O-CB 3.48Å; I380-I383 PolarHBondContact O-N 3.22Å; I380-C384 WeakPolarHBondContact O-CB 3.46Å; I380-C384 PolarHBondContact O-N 2.76Å; I380-C384 PolarHBondContact O-SG 3.34Å; I380-C384 VanDerWaalsContact O-SG 3.33Å; I380-L410 HydrophobicContact CD1-CB 4.42Å; I380-L414 HydrophobicContact CB-CD2 4.32Å; I380-L414 HydrophobicContact CG1-CD2 4.04Å; I380-L414 HydrophobicContact CG2-CD2 4.01Å
381	V	94.1	Very high	88.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-40.5	176	169.5	0	0	0	0	111.2	L322 V328 N331 L332 M357 L370 M377 Q378 Q379 I383 C384 R385	L322-V381 HydrophobicContact CD1-CB 4.31Å; L322-V381 HydrophobicContact CD1-CG1 4Å; V328-V381 HydrophobicContact CG1-CG1 4.19Å; V328-V381 HydrophobicContact CG1-CG2 3.71Å; V328-V381 HydrophobicContact CG2-CG2 4.5Å; N331-V381 HydrophobicContact CB-CG1 4.26Å; L332-V381 HydrophobicContact CD2-CG1 3.95Å; L332-V381 WeakPolarHBondContact CD2-O 3.44Å; L332-V381 HydrophobicContact CG-CG1 4.09Å; M357-V381 HydrophobicContact CE-CG2 3.85Å; M357-V381 HydrophobicContact SD-CG2 4.32Å; L370-V381 HydrophobicContact CD1-CB 4.23Å; L370-V381 HydrophobicContact CD1-CG1 4.25Å; L370-V381 HydrophobicContact CD1-CG2 4.14Å; M377-V381 VanDerWaalsContact O-CG2 3.31Å; M377-V381 WeakPolarHBondContact O-CG2 3.29Å; M377-V381 PolarHBondContact O-N 3.04Å; Q378-V381 PolarHBondContact O-N 2.7Å; Q379-V381 VanDerWaalsContact C-N 3.32Å; Q379-V381 PolarHBondContact O-N 3.22Å; V381-I383 VanDerWaalsContact C-N 3.34Å; V381-I383 PolarHBondContact O-N 3.32Å; V381-C384 PolarHBondContact O-N 2.79Å; V381-R385 WeakPolarHBondContact O-CB 3.43Å; V381-R385 PolarHBondContact O-N 3.41Å
382	A	92.5	Very high	88.5	Confident	4 Å²	4	37.2 Å²	37.2	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-40.7	175.5	0	0	0	0	0	112.2	V316 V320 L322 Q378 Q379 I380 R385 A386	V316-A382 HydrophobicContact CG1-CB 3.83Å; V316-A382 HydrophobicContact CG2-CB 4.33Å; V320-A382 HydrophobicContact CG1-CB 4.12Å; L322-A382 HydrophobicContact CD1-CB 3.93Å; L322-A382 HydrophobicContact CG-CB 4.37Å; Q378-A382 PolarHBondContact O-N 3.03Å; Q379-A382 WeakPolarHBondContact O-CB 3.49Å; Q379-A382 PolarHBondContact O-N 3.31Å; Q379-A382 VanDerWaalsContact O-N 3.11Å; I380-A382 VanDerWaalsContact C-N 3.31Å; I380-A382 PolarHBondContact O-N 3.47Å; A382-R385 WeakPolarHBondContact O-CB 3.24Å; A382-R385 PolarHBondContact O-N 3.32Å; A382-A386 PolarHBondContact O-N 3.5Å; A382-A386 VanDerWaalsContact O-N 3.09Å
383	I	93.2	Very high	88.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-50.5	175.9	-68.7	170.3	0	0	0	110.8	V316 Q379 I380 V381 R385 A386 I387 L394 L396 L411 L414 L418	V316-I383 HydrophobicContact CG2-CG1 3.99Å; Q379-I383 HydrophobicContact CG-CD1 4.36Å; Q379-I383 WeakPolarHBondContact O-CG1 3.45Å; Q379-I383 PolarHBondContact O-N 3.47Å; I380-I383 WeakPolarHBondContact O-CB 3.48Å; I380-I383 PolarHBondContact O-N 3.22Å; V381-I383 VanDerWaalsContact C-N 3.34Å; V381-I383 PolarHBondContact O-N 3.32Å; I383-R385 PolarHBondContact O-N 2.97Å; I383-A386 WeakPolarHBondContact O-CA 3.4Å; I383-A386 WeakPolarHBondContact O-CB 3.31Å; I383-A386 PolarHBondContact O-N 3.19Å; I383-I387 HydrophobicContact CG2-CG1 4.29Å; I383-I387 WeakPolarHBondContact O-CG1 3.46Å; I383-I387 PolarHBondContact O-N 2.74Å; I383-L394 HydrophobicContact CG2-CD2 3.79Å; I383-L396 HydrophobicContact CD1-CD1 4.29Å; I383-L396 HydrophobicContact CD1-CD2 3.9Å; I383-L396 HydrophobicContact CG1-CD2 3.74Å; I383-L411 HydrophobicContact CD1-CD1 3.3Å; I383-L414 HydrophobicContact CB-CD2 4.09Å; I383-L414 HydrophobicContact CD1-CD2 4.21Å; I383-L414 HydrophobicContact CG2-CD2 3.69Å; I383-L414 HydrophobicContact CG2-CG 4.32Å; I383-L418 HydrophobicContact CG2-CD1 3.61Å
384	C	93.3	Very high	88.9	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-56.4	-40.5	177.5	-73.2	0	0	0	0	111.6	L332 L356 M357 I380 V381 I387 D388	L332-C384 HydrophobicContact CD2-CB 3.83Å; L356-C384 HydrophobicContact CD2-CB 4.29Å; L356-C384 HydrophobicContact CG-CB 4.44Å; M357-C384 HydrophobicContact SD-CB 4.03Å; I380-C384 WeakPolarHBondContact O-CB 3.46Å; I380-C384 PolarHBondContact O-N 2.76Å; I380-C384 PolarHBondContact O-SG 3.34Å; I380-C384 VanDerWaalsContact O-SG 3.33Å; V381-C384 PolarHBondContact O-N 2.79Å; C384-I387 PolarHBondContact O-N 2.92Å; C384-D388 WeakPolarHBondContact O-CB 3.05Å; C384-D388 PolarHBondContact O-N 2.89Å
385	R	91.5	Very high	89.3	Confident	53 Å²	53	24.7 Å²	24.7	20%	0.2	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-47	172.5	177.6	175.9	75.4	171.3	-4	112.1	N321 N331 L332 V381 A382 I383 I387 L389	N321-R385 PolarHBondContact O-NH1 2.95Å; N321-R385 PolarHBondContact O-NH2 3.08Å; N331-R385 WeakPolarHBondContact O-CD 3.38Å; L332-R385 HydrophobicContact CD2-CB 4.2Å; V381-R385 WeakPolarHBondContact O-CB 3.43Å; V381-R385 PolarHBondContact O-N 3.41Å; A382-R385 WeakPolarHBondContact O-CB 3.24Å; A382-R385 PolarHBondContact O-N 3.32Å; I383-R385 PolarHBondContact O-N 2.97Å; R385-I387 VanDerWaalsContact C-N 3.33Å; R385-I387 PolarHBondContact O-N 3.32Å; R385-L389 HydrophobicContact CG-CD1 4.25Å; R385-L389 VanDerWaalsContact O-CD1 3.3Å; R385-L389 WeakPolarHBondContact O-CD1 3.38Å; R385-L389 PolarHBondContact O-N 2.74Å
386	A	89.3	Confident	89.8	Confident	5 Å²	5	21.7 Å²	21.7	4%	0.041	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-36.9	-179.9	0	0	0	0	0	112.2	V316 A382 I383 L389 A391 L394	V316-A386 HydrophobicContact CG2-CB 4.37Å; A382-A386 PolarHBondContact O-N 3.5Å; A382-A386 VanDerWaalsContact O-N 3.09Å; I383-A386 WeakPolarHBondContact O-CA 3.4Å; I383-A386 WeakPolarHBondContact O-CB 3.31Å; I383-A386 PolarHBondContact O-N 3.19Å; A386-L389 WeakPolarHBondContact O-CB 3.34Å; A386-L389 PolarHBondContact O-N 2.58Å; A386-A391 WeakPolarHBondContact O-CB 3.36Å; A386-L394 HydrophobicContact CB-CD1 3.6Å
387	I	88.1	Confident	90	Very high	20 Å²	20	22.4 Å²	22.4	10%	0.103	12%	0.12	C	C	.	.	H	α-helix	trans	-73.5	-41.3	178.6	-62.3	-63.3	0	0	0	112.5	Y360 I383 C384 R385 L389 S390 A391 L394 L418 V423	Y360-I387 WeakPolarHBondContact OH-CG2 3.41Å; I383-I387 HydrophobicContact CG2-CG1 4.29Å; I383-I387 WeakPolarHBondContact O-CG1 3.46Å; I383-I387 PolarHBondContact O-N 2.74Å; C384-I387 PolarHBondContact O-N 2.92Å; R385-I387 VanDerWaalsContact C-N 3.33Å; R385-I387 PolarHBondContact O-N 3.32Å; I387-L389 PolarHBondContact O-N 3.3Å; I387-L389 VanDerWaalsContact O-N 3.07Å; I387-S390 WeakPolarHBondContact O-CA 3.4Å; I387-S390 PolarHBondContact O-N 2.71Å; I387-A391 HydrophobicContact CD1-CB 4.18Å; I387-L394 HydrophobicContact CD1-CB 4.38Å; I387-L394 HydrophobicContact CD1-CD2 3.92Å; I387-L394 HydrophobicContact CG1-CD2 4.36Å; I387-L418 HydrophobicContact CD1-CD1 4.14Å; I387-L418 HydrophobicContact CD1-CD2 3.86Å; I387-L418 HydrophobicContact CG1-CD1 4.06Å; I387-L418 HydrophobicContact CG1-CD2 3.73Å; I387-L418 HydrophobicContact CG2-CD2 4.2Å; I387-V423 HydrophobicContact CD1-CG1 3.87Å; I387-V423 HydrophobicContact CD1-CG2 4.21Å
388	D	87.8	Confident	89.7	Confident	45 Å²	45	21.9 Å²	21.9	24%	0.241	12%	0.118	C	C	.	.	H	α-helix	trans	-59.9	-19.6	175.1	179.2	82.3	0	0	0	112.3	R336 L356 C384 S390	R336-D388 IonicContact CZ-OD2 2.77Å; R336-D388 PolarHBondContact NH1-O 3.09Å; R336-D388 IonicContact NH1-OD2 3.6Å; R336-D388 PolarHBondContact NH1-OD2 3.3Å; R336-D388 IonicContact NH2-OD2 2.85Å; R336-D388 PolarHBondContact NH2-OD2 2.88Å; L356-D388 HydrophobicContact CD1-CB 4.42Å; L356-D388 HydrophobicContact CD2-CB 3.92Å; C384-D388 WeakPolarHBondContact O-CB 3.05Å; C384-D388 PolarHBondContact O-N 2.89Å; D388-S390 PolarHBondContact O-N 2.81Å
389	L	81.5	Confident	89.4	Confident	40 Å²	40	20.5 Å²	20.5	21%	0.209	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	15.3	170.4	-76.9	150.8	0	0	0	113.8	Q309 R336 R385 A386 I387	Q309-L389 VanDerWaalsContact CD-CD1 3.46Å; Q309-L389 HydrophobicContact CG-CB 3.89Å; Q309-L389 HydrophobicContact CG-CD2 4.25Å; Q309-L389 HydrophobicContact CG-CG 4.4Å; R336-L389 VanDerWaalsContact CD-CD2 3.44Å; R336-L389 VanDerWaalsContact NE-CD2 3.26Å; R385-L389 HydrophobicContact CG-CD1 4.25Å; R385-L389 VanDerWaalsContact O-CD1 3.3Å; R385-L389 WeakPolarHBondContact O-CD1 3.38Å; R385-L389 PolarHBondContact O-N 2.74Å; A386-L389 WeakPolarHBondContact O-CB 3.34Å; A386-L389 PolarHBondContact O-N 2.58Å; I387-L389 PolarHBondContact O-N 3.3Å; I387-L389 VanDerWaalsContact O-N 3.07Å
390	S	74.6	Confident	89.1	Confident	97 Å²	97	20.3 Å²	20.3	68%	0.678	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	41	-179.4	-56	0	0	0	0	113.8	I387 D388 K392	I387-S390 WeakPolarHBondContact O-CA 3.4Å; I387-S390 PolarHBondContact O-N 2.71Å; D388-S390 PolarHBondContact O-N 2.81Å; S390-K392 PolarHBondContact O-N 2.87Å
391	A	79.5	Confident	87.9	Confident	11 Å²	11	22.2 Å²	22.2	9%	0.091	13%	0.127	C	C	.	.			trans	-65.1	117.8	175.8	0	0	0	0	0	111.2	G312 A386 I387	G312-A391 CarbonylContact O-C 3.54Å; G312-A391 WeakPolarHBondContact O-CA 3.48Å; A386-A391 WeakPolarHBondContact O-CB 3.36Å; I387-A391 HydrophobicContact CD1-CB 4.18Å
392	K	91.4	Very high	86.7	Confident	89 Å²	89	26.2 Å²	26.2	39%	0.387	16%	0.155	S	C	.	.	S	Bend	trans	-79.5	-37.4	166.3	-59.4	178.3	-177.2	178.9	0	110.5	E296 G312 S390 S424	E296-K392 WeakPolarHBondContact OE2-CE 3.3Å; E296-K392 IonicContact OE2-NZ 2.65Å; E296-K392 PolarHBondContact OE2-NZ 2.72Å; G312-K392 PolarHBondContact O-N 2.81Å; S390-K392 PolarHBondContact O-N 2.87Å; K392-S424 PolarHBondContact O-N 3.16Å
393	V	94.8	Very high	85.7	Confident	18 Å²	18	27.1 Å²	27.1	11%	0.109	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131	176.2	179.1	0	0	0	0	108.6	L259 L295 G312 I313 G314 I395 S424	L259-V393 HydrophobicContact CD2-CG1 3.69Å; L259-V393 HydrophobicContact CD2-CG2 4.23Å; L295-V393 HydrophobicContact CD1-CG2 3.79Å; G312-V393 PolarHBondContact O-N 3.08Å; I313-V393 WeakPolarHBondContact CA-O 3.24Å; G314-V393 PolarHBondContact N-O 3.35Å; V393-I395 HydrophobicContact CG1-CG1 4.49Å; V393-S424 CarbonylContact C-O 3.55Å; V393-S424 VanDerWaalsContact CA-O 3.29Å; V393-S424 WeakPolarHBondContact CA-O 2.89Å
394	L	95.4	Very high	84.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.4	175.8	-178.2	66.4	0	0	0	110.1	V316 I383 A386 I387 L396 L418 V423 S424 L425 I426	V316-L394 HydrophobicContact CG2-CD1 4.36Å; I383-L394 HydrophobicContact CG2-CD2 3.79Å; A386-L394 HydrophobicContact CB-CD1 3.6Å; I387-L394 HydrophobicContact CD1-CB 4.38Å; I387-L394 HydrophobicContact CD1-CD2 3.92Å; I387-L394 HydrophobicContact CG1-CD2 4.36Å; L394-L396 HydrophobicContact CD1-CD2 4.36Å; L394-L396 HydrophobicContact CD2-CD2 3.87Å; L394-L396 HydrophobicContact CD2-CG 4.3Å; L394-L396 HydrophobicContact CG-CD2 3.89Å; L394-L396 HydrophobicContact CG-CG 4.24Å; L394-L418 HydrophobicContact CD2-CD1 3.99Å; L394-V423 HydrophobicContact CB-CG1 4.14Å; L394-S424 PolarHBondContact N-O 3.46Å; L394-L425 HydrophobicContact CB-CG 4.42Å; L394-L425 HydrophobicContact CD2-CD2 4.3Å; L394-L425 CarbonylContact O-C 3.17Å; L394-L425 VanDerWaalsContact O-CA 3.24Å; L394-L425 WeakPolarHBondContact O-CA 3.25Å; L394-I426 PolarHBondContact O-N 2.79Å
395	I	94.7	Very high	83.8	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.2	174.8	-54.3	175.7	0	0	0	108.5	I279 L282 T283 I313 G314 T315 V316 V393 I426	I279-I395 HydrophobicContact CD1-CG2 4.09Å; I279-I395 HydrophobicContact CG1-CG2 3.93Å; I279-I395 HydrophobicContact CG2-CD1 4.3Å; I279-I395 HydrophobicContact CG2-CG2 3.96Å; L282-I395 HydrophobicContact CB-CD1 4.21Å; L282-I395 HydrophobicContact CD1-CD1 4.1Å; T283-I395 HydrophobicContact CG2-CD1 4.33Å; I313-I395 HydrophobicContact CG2-CD1 4.05Å; G314-I395 PolarHBondContact O-N 3.02Å; T315-I395 CarbonylContact C-O 3.58Å; T315-I395 WeakPolarHBondContact CA-O 3.24Å; T315-I395 HydrophobicContact CG2-CB 4.01Å; T315-I395 HydrophobicContact CG2-CG2 4.21Å; V316-I395 PolarHBondContact N-O 3.41Å; V393-I395 HydrophobicContact CG1-CG1 4.49Å; I395-I426 HydrophobicContact CB-CB 4.47Å; I395-I426 HydrophobicContact CD1-CD1 4.46Å; I395-I426 HydrophobicContact CG1-CB 4.2Å; I395-I426 HydrophobicContact CG1-CD1 4.14Å; I395-I426 HydrophobicContact CG1-CG1 4.34Å; I395-I426 HydrophobicContact CG2-CB 4.32Å
396	L	93.7	Very high	83.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	105.7	176.2	-58.4	-179.7	0	0	0	108.7	V316 I383 L394 P399 M415 L425 I426 V428	V316-L396 HydrophobicContact CB-CD2 3.88Å; V316-L396 HydrophobicContact CG2-CD2 3.91Å; I383-L396 HydrophobicContact CD1-CD1 4.29Å; I383-L396 HydrophobicContact CD1-CD2 3.9Å; I383-L396 HydrophobicContact CG1-CD2 3.74Å; L394-L396 HydrophobicContact CD1-CD2 4.36Å; L394-L396 HydrophobicContact CD2-CD2 3.87Å; L394-L396 HydrophobicContact CD2-CG 4.3Å; L394-L396 HydrophobicContact CG-CD2 3.89Å; L394-L396 HydrophobicContact CG-CG 4.24Å; L396-P399 HydrophobicContact CB-CB 4.26Å; L396-P399 HydrophobicContact CB-CG 3.89Å; L396-M415 HydrophobicContact CD1-CE 4.28Å; L396-M415 HydrophobicContact CD1-CG 3.88Å; L396-M415 HydrophobicContact CD1-SD 3.93Å; L396-L425 HydrophobicContact CD1-CD2 3.96Å; L396-I426 PolarHBondContact N-O 3.42Å; L396-V428 PolarHBondContact O-N 2.59Å
397	D	90	Very high	82.7	Confident	16 Å²	16	43 Å²	43	9%	0.086	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	107.5	-179.4	-161.6	13	0	0	0	110.5	I279 V316 Q318 V428	I279-D397 HydrophobicContact CD1-CB 4.31Å; V316-D397 PolarHBondContact O-N 2.84Å; Q318-D397 WeakPolarHBondContact CA-O 3.48Å; Q318-D397 PolarHBondContact N-O 3.3Å; D397-V428 WeakPolarHBondContact OD1-CG1 3.3Å
398	E	85.1	Confident	82.5	Confident	19 Å²	19	42.5 Å²	42.5	9%	0.089	24%	0.243	C	C	.	.	S	Bend	trans	50	47.6	178.6	-62.8	-72.5	176	0	0	114.6	Q318 T400 A401 V428 T429 H430	Q318-E398 HydrophobicContact CB-CB 4.25Å; Q318-E398 HydrophobicContact CG-CB 3.89Å; E398-T400 PolarHBondContact O-N 3.23Å; E398-T400 VanDerWaalsContact O-N 3.07Å; E398-A401 HydrophobicContact CB-CB 4.44Å; E398-A401 PolarHBondContact O-N 3.03Å; E398-V428 VanDerWaalsContact CA-O 3.25Å; E398-V428 WeakPolarHBondContact CA-O 3.39Å; E398-V428 PolarHBondContact N-O 3.2Å; E398-T429 WeakPolarHBondContact OE2-CA 3.39Å; E398-H430 VanDerWaalsContact CD-ND1 3.33Å; E398-H430 IonicContact OE1-CG 2.63Å; E398-H430 PolarHBondContact OE1-N 3.49Å; E398-H430 IonicContact OE1-ND1 3.96Å; E398-H430 PolarHBondContact OE1-ND1 3.16Å; E398-H430 IonicContact OE2-CE1 2.78Å; E398-H430 PolarHBondContact OE2-CE1 3.46Å; E398-H430 IonicContact OE2-CG 2.7Å; E398-H430 PolarHBondContact OE2-N 3.49Å; E398-H430 IonicContact OE2-ND1 3.2Å; E398-H430 PolarHBondContact OE2-ND1 3.24Å
399	P	84.6	Confident	82.5	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.032	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8	-169.4	35.3	-42.2	0	0	0	114.4	Q379 L396 L403 L411 F427 V428	Q379-P399 HydrophobicContact CG-CB 4.15Å; L396-P399 HydrophobicContact CB-CB 4.26Å; L396-P399 HydrophobicContact CB-CG 3.89Å; P399-L403 WeakPolarHBondContact O-CD1 3.31Å; P399-L411 HydrophobicContact CB-CD2 3.8Å; P399-L411 HydrophobicContact CG-CD2 3.99Å; P399-F427 HydrophobicContact CG-CD2 3.84Å; P399-F427 HydrophobicContact CG-CE2 3.52Å; P399-V428 WeakPolarHBondContact CD-O 3.49Å
400	T	82.8	Confident	82.9	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.012	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-2.3	-175.2	50.9	0	0	0	0	113.7	E398 S402 L403 V408 L411 F412 Q434	E398-T400 PolarHBondContact O-N 3.23Å; E398-T400 VanDerWaalsContact O-N 3.07Å; T400-S402 PolarHBondContact O-N 2.97Å; T400-L403 PolarHBondContact O-N 3.31Å; T400-L403 VanDerWaalsContact O-N 3.08Å; T400-V408 HydrophobicContact CG2-CG1 4.27Å; T400-V408 HydrophobicContact CG2-CG2 4Å; T400-L411 HydrophobicContact CG2-CD2 3.7Å; T400-F412 HydrophobicContact CG2-CE1 4.01Å; T400-F412 HydrophobicContact CG2-CZ 4.4Å; T400-Q434 VanDerWaalsContact CB-OE1 3.25Å; T400-Q434 PolarHBondContact OG1-OE1 2.88Å
401	A	68.9	Low	83.7	Confident	41 Å²	41	41.9 Å²	41.9	34%	0.339	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.6	-169.4	0	0	0	0	0	115.4	E398	E398-A401 HydrophobicContact CB-CB 4.44Å; E398-A401 PolarHBondContact O-N 3.03Å
402	S	68.3	Low	84.4	Confident	84 Å²	84	41.4 Å²	41.4	59%	0.587	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.1	15.7	-179.6	61.8	0	0	0	0	113.6	V375 T400	V375-S402 WeakPolarHBondContact CG1-OG 3.4Å; T400-S402 PolarHBondContact O-N 2.97Å
403	L	71.6	Confident	84.5	Confident	23 Å²	23	38.6 Å²	38.6	12%	0.12	22%	0.222	C	C	.	.			trans	-103.4	144.4	-175.2	-58.9	-169.3	0	0	0	111.1	V375 A376 P399 T400 E407 V408 L411	V375-L403 HydrophobicContact CB-CD2 3.94Å; V375-L403 HydrophobicContact CG1-CD2 3.9Å; A376-L403 HydrophobicContact CB-CD1 4.09Å; A376-L403 HydrophobicContact CB-CD2 3.88Å; P399-L403 WeakPolarHBondContact O-CD1 3.31Å; T400-L403 PolarHBondContact O-N 3.31Å; T400-L403 VanDerWaalsContact O-N 3.08Å; L403-E407 HydrophobicContact CB-CB 3.9Å; L403-E407 HydrophobicContact CD2-CB 4.42Å; L403-E407 HydrophobicContact CG-CB 4.49Å; L403-V408 HydrophobicContact CB-CG2 3.8Å; L403-L411 HydrophobicContact CD1-CD2 4.1Å
404	D	73.1	Confident	84.6	Confident	87 Å²	87	38 Å²	38	47%	0.465	22%	0.217	S	C	.	.			trans	-78.5	173.4	168.7	74	40.8	0	0	0	112.3	Q406 E407 V408	D404-Q406 VanDerWaalsContact C-N 3.32Å; D404-Q406 PolarHBondContact O-N 2.87Å; D404-Q406 WeakPolarHBondContact OD1-CA 3.39Å; D404-Q406 WeakPolarHBondContact OD1-CB 3.42Å; D404-Q406 PolarHBondContact OD1-N 3.43Å; D404-E407 PolarHBondContact N-OE2 3.19Å; D404-E407 WeakPolarHBondContact O-CB 3.3Å; D404-E407 PolarHBondContact O-N 2.87Å; D404-E407 WeakPolarHBondContact OD1-CB 3.37Å; D404-E407 PolarHBondContact OD1-N 3.49Å; D404-V408 WeakPolarHBondContact O-CB 3.47Å; D404-V408 WeakPolarHBondContact O-CG2 3.31Å; D404-V408 PolarHBondContact O-N 2.93Å
405	T	74.2	Confident	84.6	Confident	112 Å²	112	38 Å²	38	69%	0.687	22%	0.217	S	C	*	.	H	α-helix	trans	-59.9	-37	-177.2	-48.5	0	0	0	0	113.6	E409	T405-E409 PolarHBondContact O-N 3.19Å
406	Q	76.2	Confident	84.7	Confident	162 Å²	162	41.8 Å²	41.8	76%	0.757	23%	0.232	S	C	*	.	H	α-helix	trans	-72.2	-40.1	179.3	-63	-176.6	11.1	0	0	110.7	D404 E409 L410	D404-Q406 VanDerWaalsContact C-N 3.32Å; D404-Q406 PolarHBondContact O-N 2.87Å; D404-Q406 WeakPolarHBondContact OD1-CA 3.39Å; D404-Q406 WeakPolarHBondContact OD1-CB 3.42Å; D404-Q406 PolarHBondContact OD1-N 3.43Å; Q406-E409 PolarHBondContact O-N 2.82Å; Q406-L410 PolarHBondContact O-N 2.8Å
407	E	81.3	Confident	84.7	Confident	31 Å²	31	44.5 Å²	44.5	15%	0.145	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-39.1	175.2	-79.4	-165.9	134.1	0	0	113	S374 A376 L403 D404 L410 L411	S374-E407 WeakPolarHBondContact CB-OE1 3.46Å; S374-E407 PolarHBondContact OG-OE1 2.94Å; A376-E407 HydrophobicContact CB-CB 3.69Å; A376-E407 HydrophobicContact CB-CG 3.7Å; L403-E407 HydrophobicContact CB-CB 3.9Å; L403-E407 HydrophobicContact CD2-CB 4.42Å; L403-E407 HydrophobicContact CG-CB 4.49Å; D404-E407 PolarHBondContact N-OE2 3.19Å; D404-E407 WeakPolarHBondContact O-CB 3.3Å; D404-E407 PolarHBondContact O-N 2.87Å; D404-E407 WeakPolarHBondContact OD1-CB 3.37Å; D404-E407 PolarHBondContact OD1-N 3.49Å; E407-L410 PolarHBondContact O-N 2.63Å; E407-L411 PolarHBondContact O-N 2.77Å
408	V	83.8	Confident	84.9	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-43.5	174.2	168.5	0	0	0	0	111.1	T400 L403 D404 L410 L411 F412	T400-V408 HydrophobicContact CG2-CG1 4.27Å; T400-V408 HydrophobicContact CG2-CG2 4Å; L403-V408 HydrophobicContact CB-CG2 3.8Å; D404-V408 WeakPolarHBondContact O-CB 3.47Å; D404-V408 WeakPolarHBondContact O-CG2 3.31Å; D404-V408 PolarHBondContact O-N 2.93Å; V408-L410 VanDerWaalsContact C-N 3.34Å; V408-L410 PolarHBondContact O-N 2.8Å; V408-L411 WeakPolarHBondContact O-CB 3.46Å; V408-L411 PolarHBondContact O-N 2.76Å; V408-F412 HydrophobicContact CG1-CD1 4.29Å; V408-F412 HydrophobicContact CG1-CD2 3.76Å; V408-F412 HydrophobicContact CG1-CE1 3.86Å; V408-F412 HydrophobicContact CG1-CE2 3.26Å; V408-F412 HydrophobicContact CG1-CG 4.24Å; V408-F412 HydrophobicContact CG1-CZ 3.3Å; V408-F412 WeakPolarHBondContact O-CG 3.17Å; V408-F412 PolarHBondContact O-N 3.32Å
409	E	87.6	Confident	85.4	Confident	81 Å²	81	45.4 Å²	45.4	38%	0.379	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-36.1	178.4	-78.2	-60	152.3	0	0	113.1	T405 Q406 L411 F412 G413 R416	T405-E409 PolarHBondContact O-N 3.19Å; Q406-E409 PolarHBondContact O-N 2.82Å; E409-L411 VanDerWaalsContact C-N 3.33Å; E409-L411 PolarHBondContact O-N 3.05Å; E409-F412 PolarHBondContact O-N 3.27Å; E409-G413 PolarHBondContact O-N 2.88Å; E409-R416 IonicContact OE2-NH2 3.51Å; E409-R416 PolarHBondContact OE2-NH2 2.8Å
410	L	89.6	Confident	85.9	Confident	89 Å²	89	50.7 Å²	50.7	47%	0.466	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-44.7	173.1	-71.3	176.7	0	0	0	111.5	I380 Q406 E407 V408 G413 L414	I380-L410 HydrophobicContact CD1-CB 4.42Å; Q406-L410 PolarHBondContact O-N 2.8Å; E407-L410 PolarHBondContact O-N 2.63Å; V408-L410 VanDerWaalsContact C-N 3.34Å; V408-L410 PolarHBondContact O-N 2.8Å; L410-G413 PolarHBondContact O-N 2.87Å; L410-L414 PolarHBondContact O-N 2.94Å
411	L	91.6	Very high	86.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-43.8	177.4	176.9	64.6	0	0	0	111.5	Q379 I383 P399 T400 L403 E407 V408 E409 G413 L414 M415	Q379-L411 HydrophobicContact CG-CD1 4.38Å; I383-L411 HydrophobicContact CD1-CD1 3.3Å; P399-L411 HydrophobicContact CB-CD2 3.8Å; P399-L411 HydrophobicContact CG-CD2 3.99Å; T400-L411 HydrophobicContact CG2-CD2 3.7Å; L403-L411 HydrophobicContact CD1-CD2 4.1Å; E407-L411 PolarHBondContact O-N 2.77Å; V408-L411 WeakPolarHBondContact O-CB 3.46Å; V408-L411 PolarHBondContact O-N 2.76Å; E409-L411 VanDerWaalsContact C-N 3.33Å; E409-L411 PolarHBondContact O-N 3.05Å; L411-G413 VanDerWaalsContact C-N 3.32Å; L411-G413 PolarHBondContact O-N 2.83Å; L411-L414 WeakPolarHBondContact O-CB 3.29Å; L411-L414 PolarHBondContact O-N 3.29Å; L411-M415 HydrophobicContact CG-SD 4.09Å; L411-M415 WeakPolarHBondContact O-CG 3.39Å; L411-M415 PolarHBondContact O-N 3.14Å
412	F	94.2	Very high	87.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-38	177.3	-70.1	-7.5	0	0	0	112.3	T400 V408 E409 L414 M415 R416 F427 Q434 Q437 V438	T400-F412 HydrophobicContact CG2-CE1 4.01Å; T400-F412 HydrophobicContact CG2-CZ 4.4Å; V408-F412 HydrophobicContact CG1-CD1 4.29Å; V408-F412 HydrophobicContact CG1-CD2 3.76Å; V408-F412 HydrophobicContact CG1-CE1 3.86Å; V408-F412 HydrophobicContact CG1-CE2 3.26Å; V408-F412 HydrophobicContact CG1-CG 4.24Å; V408-F412 HydrophobicContact CG1-CZ 3.3Å; V408-F412 WeakPolarHBondContact O-CG 3.17Å; V408-F412 PolarHBondContact O-N 3.32Å; E409-F412 PolarHBondContact O-N 3.27Å; F412-L414 VanDerWaalsContact C-N 3.32Å; F412-L414 PolarHBondContact O-N 2.71Å; F412-M415 HydrophobicContact CD1-SD 3.82Å; F412-M415 HydrophobicContact CE1-SD 4.28Å; F412-M415 PolarHBondContact O-N 3.32Å; F412-R416 VanDerWaalsContact O-CG 3.32Å; F412-R416 WeakPolarHBondContact O-CG 3.48Å; F412-R416 PolarHBondContact O-N 3.21Å; F412-F427 HydrophobicContact CE1-CE1 4.44Å; F412-F427 HydrophobicContact CE1-CZ 4.07Å; F412-F427 HydrophobicContact CZ-CZ 4.47Å; F412-Q434 HydrophobicContact CE2-CB 4.33Å; F412-Q434 HydrophobicContact CE2-CG 4.33Å; F412-Q434 HydrophobicContact CZ-CB 3.67Å; F412-Q434 HydrophobicContact CZ-CG 3.79Å; F412-Q437 HydrophobicContact CD2-CB 4.47Å; F412-Q437 HydrophobicContact CE2-CB 4.15Å; F412-V438 HydrophobicContact CB-CG2 4.1Å; F412-V438 HydrophobicContact CD1-CB 4.24Å; F412-V438 HydrophobicContact CD1-CG1 4.25Å; F412-V438 HydrophobicContact CD1-CG2 4.11Å; F412-V438 HydrophobicContact CD2-CB 4.35Å; F412-V438 HydrophobicContact CE1-CB 4.48Å; F412-V438 HydrophobicContact CE1-CG1 4.1Å; F412-V438 HydrophobicContact CG-CB 4.18Å; F412-V438 HydrophobicContact CG-CG2 4.05Å; F412-V438 HydrophobicContact CZ-CG1 4.37Å
413	G	94.2	Very high	88.7	Confident	31 Å²	31	52.9 Å²	52.9	32%	0.32	27%	0.27	S	S	.	.	H	α-helix	trans	-54.6	-48.3	171.3	0	0	0	0	0	112.1	E409 L410 L411 R416 Q417	E409-G413 PolarHBondContact O-N 2.88Å; L410-G413 PolarHBondContact O-N 2.87Å; L411-G413 VanDerWaalsContact C-N 3.32Å; L411-G413 PolarHBondContact O-N 2.83Å; G413-R416 PolarHBondContact O-N 3.21Å; G413-Q417 WeakPolarHBondContact O-CB 3.48Å; G413-Q417 PolarHBondContact O-N 2.84Å
414	L	94.9	Very high	89.9	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-44.6	175.7	177	60.4	0	0	0	112.3	Y360 F362 I380 I383 L410 L411 F412 R416 Q417 L418	Y360-L414 HydrophobicContact CD1-CD1 3.42Å; Y360-L414 VanDerWaalsContact CD1-CD1 3.42Å; Y360-L414 HydrophobicContact CE1-CD1 4.07Å; Y360-L414 HydrophobicContact CG-CD1 3.77Å; F362-L414 HydrophobicContact CE2-CB 4.49Å; F362-L414 HydrophobicContact CE2-CD1 4.37Å; F362-L414 HydrophobicContact CE2-CD2 4.35Å; F362-L414 HydrophobicContact CZ-CB 4.46Å; I380-L414 HydrophobicContact CB-CD2 4.32Å; I380-L414 HydrophobicContact CG1-CD2 4.04Å; I380-L414 HydrophobicContact CG2-CD2 4.01Å; I383-L414 HydrophobicContact CB-CD2 4.09Å; I383-L414 HydrophobicContact CD1-CD2 4.21Å; I383-L414 HydrophobicContact CG2-CD2 3.69Å; I383-L414 HydrophobicContact CG2-CG 4.32Å; L410-L414 PolarHBondContact O-N 2.94Å; L411-L414 WeakPolarHBondContact O-CB 3.29Å; L411-L414 PolarHBondContact O-N 3.29Å; F412-L414 VanDerWaalsContact C-N 3.32Å; F412-L414 PolarHBondContact O-N 2.71Å; L414-R416 PolarHBondContact O-N 3.14Å; L414-Q417 PolarHBondContact O-N 3.12Å; L414-L418 HydrophobicContact CD1-CD1 4.13Å; L414-L418 HydrophobicContact CD1-CG 4.06Å; L414-L418 HydrophobicContact CG-CD1 4.01Å; L414-L418 HydrophobicContact CG-CG 4.37Å; L414-L418 VanDerWaalsContact O-CG 3.31Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 3.44Å
415	M	96	Very high	91	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-46.3	178.5	-71.8	171.3	59.2	0	0	111.8	I264 L396 L411 F412 L418 R419 L425 F427 V438	I264-M415 HydrophobicContact CD1-CB 4.15Å; I264-M415 HydrophobicContact CG2-CE 3.99Å; L396-M415 HydrophobicContact CD1-CE 4.28Å; L396-M415 HydrophobicContact CD1-CG 3.88Å; L396-M415 HydrophobicContact CD1-SD 3.93Å; L411-M415 HydrophobicContact CG-SD 4.09Å; L411-M415 WeakPolarHBondContact O-CG 3.39Å; L411-M415 PolarHBondContact O-N 3.14Å; F412-M415 HydrophobicContact CD1-SD 3.82Å; F412-M415 HydrophobicContact CE1-SD 4.28Å; F412-M415 PolarHBondContact O-N 3.32Å; M415-L418 PolarHBondContact O-N 3.47Å; M415-R419 WeakPolarHBondContact O-CB 3.38Å; M415-R419 PolarHBondContact O-N 3.47Å; M415-L425 HydrophobicContact CB-CD2 4.05Å; M415-L425 HydrophobicContact CG-CD2 3.92Å; M415-F427 HydrophobicContact CE-CB 4.02Å; M415-F427 HydrophobicContact CE-CD1 4.06Å; M415-F427 HydrophobicContact CE-CD2 4.02Å; M415-F427 HydrophobicContact CE-CG 3.77Å; M415-V438 HydrophobicContact CB-CG2 4.33Å; M415-V438 HydrophobicContact CE-CG1 3.88Å; M415-V438 HydrophobicContact CE-CG2 4.1Å
416	R	96.3	Very high	92.1	Very high	82 Å²	82	43 Å²	43	31%	0.309	21%	0.214	S	C	.	.	H	α-helix	trans	-60.4	-45.8	175.1	-66.7	177.2	-148.9	135.2	5.5	110.8	E409 F412 G413 L414 L418 R419 D420 V438	E409-R416 IonicContact OE2-NH2 3.51Å; E409-R416 PolarHBondContact OE2-NH2 2.8Å; F412-R416 VanDerWaalsContact O-CG 3.32Å; F412-R416 WeakPolarHBondContact O-CG 3.48Å; F412-R416 PolarHBondContact O-N 3.21Å; G413-R416 PolarHBondContact O-N 3.21Å; L414-R416 PolarHBondContact O-N 3.14Å; R416-L418 VanDerWaalsContact C-N 3.31Å; R416-L418 PolarHBondContact O-N 2.89Å; R416-R419 WeakPolarHBondContact O-CB 3.42Å; R416-R419 PolarHBondContact O-N 3.28Å; R416-D420 WeakPolarHBondContact O-CB 3.46Å; R416-D420 PolarHBondContact O-N 2.91Å; R416-V438 HydrophobicContact CG-CG2 4.23Å
417	Q	94.8	Very high	92.9	Very high	56 Å²	56	35.2 Å²	35.2	26%	0.262	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-38.6	177.9	-173.2	-179	-3.5	0	0	112.7	S359 G413 L414 R421	S359-Q417 PolarHBondContact O-NE2 3.46Å; S359-Q417 VanDerWaalsContact O-NE2 3.17Å; G413-Q417 WeakPolarHBondContact O-CB 3.48Å; G413-Q417 PolarHBondContact O-N 2.84Å; L414-Q417 PolarHBondContact O-N 3.12Å; Q417-R421 VanDerWaalsContact O-CG 3.3Å; Q417-R421 WeakPolarHBondContact O-CG 3.32Å; Q417-R421 PolarHBondContact O-N 3.46Å; Q417-R421 VanDerWaalsContact O-N 3.12Å
418	L	94.6	Very high	93.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-69	-45.4	176.9	-70.9	173.3	0	0	0	111.9	Y360 I383 I387 L394 L414 M415 R416 D420 R421 G422 V423 L425	Y360-L418 HydrophobicContact CE1-CD2 3.55Å; Y360-L418 HydrophobicContact CE1-CG 4.42Å; I383-L418 HydrophobicContact CG2-CD1 3.61Å; I387-L418 HydrophobicContact CD1-CD1 4.14Å; I387-L418 HydrophobicContact CD1-CD2 3.86Å; I387-L418 HydrophobicContact CG1-CD1 4.06Å; I387-L418 HydrophobicContact CG1-CD2 3.73Å; I387-L418 HydrophobicContact CG2-CD2 4.2Å; L394-L418 HydrophobicContact CD2-CD1 3.99Å; L414-L418 HydrophobicContact CD1-CD1 4.13Å; L414-L418 HydrophobicContact CD1-CG 4.06Å; L414-L418 HydrophobicContact CG-CD1 4.01Å; L414-L418 HydrophobicContact CG-CG 4.37Å; L414-L418 VanDerWaalsContact O-CG 3.31Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 3.44Å; M415-L418 PolarHBondContact O-N 3.47Å; R416-L418 VanDerWaalsContact C-N 3.31Å; R416-L418 PolarHBondContact O-N 2.89Å; L418-D420 VanDerWaalsContact C-N 3.31Å; L418-D420 PolarHBondContact O-N 3.04Å; L418-R421 CarbonylContact O-C 3.54Å; L418-R421 PolarHBondContact O-N 3.21Å; L418-R421 VanDerWaalsContact O-N 3.14Å; L418-G422 PolarHBondContact O-N 2.86Å; L418-V423 HydrophobicContact CB-CB 4.27Å; L418-V423 HydrophobicContact CD2-CG2 4.44Å; L418-V423 WeakPolarHBondContact O-CB 3.32Å; L418-V423 PolarHBondContact O-N 2.87Å; L418-L425 HydrophobicContact CB-CD1 4.19Å
419	R	95.2	Very high	93.2	Very high	52 Å²	52	33.4 Å²	33.4	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-53.9	-49.4	172.7	-178	-159	58	-159.1	-8	111.1	G262 I264 M415 R416 R421 G422 V423 L425 D440	G262-R419 VanDerWaalsContact C-CG 3.47Å; G262-R419 WeakPolarHBondContact O-CG 3.46Å; I264-R419 HydrophobicContact CD1-CB 3.91Å; I264-R419 HydrophobicContact CD1-CG 4.32Å; I264-R419 HydrophobicContact CG1-CB 3.83Å; I264-R419 HydrophobicContact CG1-CG 3.96Å; M415-R419 WeakPolarHBondContact O-CB 3.38Å; M415-R419 PolarHBondContact O-N 3.47Å; R416-R419 WeakPolarHBondContact O-CB 3.42Å; R416-R419 PolarHBondContact O-N 3.28Å; R419-R421 PolarHBondContact O-N 3.24Å; R419-G422 WeakPolarHBondContact O-CA 3.36Å; R419-G422 PolarHBondContact O-N 3.17Å; R419-V423 WeakPolarHBondContact CA-O 3.49Å; R419-L425 HydrophobicContact CB-CD1 4.13Å; R419-D440 WeakPolarHBondContact CD-OD2 3.28Å; R419-D440 IonicContact NH1-OD1 3.64Å; R419-D440 PolarHBondContact NH1-OD1 3.36Å; R419-D440 IonicContact NH1-OD2 3.39Å
420	D	94.4	Very high	92.3	Very high	116 Å²	116	31.7 Å²	31.7	62%	0.62	16%	0.16	S	C	*	.	H	α-helix	trans	-68	-22.5	-177.7	-61.1	-9.4	0	0	0	112.3	R416 L418 G422	R416-D420 WeakPolarHBondContact O-CB 3.46Å; R416-D420 PolarHBondContact O-N 2.91Å; L418-D420 VanDerWaalsContact C-N 3.31Å; L418-D420 PolarHBondContact O-N 3.04Å; D420-G422 VanDerWaalsContact C-N 3.25Å
421	R	92.7	Very high	91.5	Very high	132 Å²	132	30 Å²	30	50%	0.498	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1	169	-73.3	178.2	176.7	-176	3.9	113.5	S359 Q417 L418 R419	S359-R421 PolarHBondContact O-NH2 2.89Å; Q417-R421 VanDerWaalsContact O-CG 3.3Å; Q417-R421 WeakPolarHBondContact O-CG 3.32Å; Q417-R421 PolarHBondContact O-N 3.46Å; Q417-R421 VanDerWaalsContact O-N 3.12Å; L418-R421 CarbonylContact O-C 3.54Å; L418-R421 PolarHBondContact O-N 3.21Å; L418-R421 VanDerWaalsContact O-N 3.14Å; R419-R421 PolarHBondContact O-N 3.24Å
422	G	92.3	Very high	90.5	Very high	26 Å²	26	31.6 Å²	31.6	27%	0.268	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	10.8	176.5	0	0	0	0	0	115	L418 R419 D420	L418-G422 PolarHBondContact O-N 2.86Å; R419-G422 WeakPolarHBondContact O-CA 3.36Å; R419-G422 PolarHBondContact O-N 3.17Å; D420-G422 VanDerWaalsContact C-N 3.25Å
423	V	94.7	Very high	89.5	Confident	16 Å²	16	36 Å²	36	10%	0.097	18%	0.181	C	C	.	.			trans	-77.2	132.5	170.5	-176.8	0	0	0	0	108.3	I387 L394 L418 R419 L425	I387-V423 HydrophobicContact CD1-CG1 3.87Å; I387-V423 HydrophobicContact CD1-CG2 4.21Å; L394-V423 HydrophobicContact CB-CG1 4.14Å; L418-V423 HydrophobicContact CB-CB 4.27Å; L418-V423 HydrophobicContact CD2-CG2 4.44Å; L418-V423 WeakPolarHBondContact O-CB 3.32Å; L418-V423 PolarHBondContact O-N 2.87Å; R419-V423 WeakPolarHBondContact CA-O 3.49Å; V423-L425 HydrophobicContact CG1-CD1 4.45Å; V423-L425 VanDerWaalsContact O-CD1 3.31Å; V423-L425 WeakPolarHBondContact O-CD1 3.19Å
424	S	95.7	Very high	88.9	Confident	9 Å²	9	35.7 Å²	35.7	6%	0.063	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.5	173.8	-58.2	0	0	0	0	110.8	L259 R260 R261 G262 E263 K392 V393 L394	L259-S424 VanDerWaalsContact CD2-CB 3.45Å; R260-S424 WeakPolarHBondContact O-CB 3.24Å; R260-S424 PolarHBondContact O-OG 3.28Å; R261-S424 VanDerWaalsContact CA-OG 3.24Å; R261-S424 WeakPolarHBondContact CA-OG 3.43Å; G262-S424 PolarHBondContact N-OG 3.11Å; E263-S424 CarbonylContact O-C 3.53Å; E263-S424 WeakPolarHBondContact O-CA 3.47Å; K392-S424 PolarHBondContact O-N 3.16Å; V393-S424 CarbonylContact C-O 3.55Å; V393-S424 VanDerWaalsContact CA-O 3.29Å; V393-S424 WeakPolarHBondContact CA-O 2.89Å; L394-S424 PolarHBondContact N-O 3.46Å
425	L	97.2	Very high	88.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.9	-176.3	-65.8	89.8	0	0	0	111.1	E263 I264 M265 L394 L396 M415 L418 R419 V423	E263-L425 PolarHBondContact O-N 3.4Å; I264-L425 HydrophobicContact CG1-CB 4.18Å; I264-L425 HydrophobicContact CG1-CD1 4.03Å; M265-L425 PolarHBondContact N-O 3.28Å; L394-L425 HydrophobicContact CB-CG 4.42Å; L394-L425 HydrophobicContact CD2-CD2 4.3Å; L394-L425 CarbonylContact O-C 3.17Å; L394-L425 VanDerWaalsContact O-CA 3.24Å; L394-L425 WeakPolarHBondContact O-CA 3.25Å; L396-L425 HydrophobicContact CD1-CD2 3.96Å; M415-L425 HydrophobicContact CB-CD2 4.05Å; M415-L425 HydrophobicContact CG-CD2 3.92Å; L418-L425 HydrophobicContact CB-CD1 4.19Å; R419-L425 HydrophobicContact CB-CD1 4.13Å; V423-L425 HydrophobicContact CG1-CD1 4.45Å; V423-L425 VanDerWaalsContact O-CD1 3.31Å; V423-L425 WeakPolarHBondContact O-CD1 3.19Å
426	I	95.7	Very high	87.8	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.1	161.9	-55.3	-172.5	0	0	0	106.7	F257 L259 M265 L267 L282 L394 I395 L396 V428	F257-I426 HydrophobicContact CE2-CD1 4.05Å; F257-I426 HydrophobicContact CZ-CD1 4.25Å; L259-I426 HydrophobicContact CD2-CD1 4.28Å; L259-I426 HydrophobicContact CD2-CG1 3.76Å; M265-I426 HydrophobicContact CE-CD1 4.19Å; M265-I426 HydrophobicContact CE-CG1 4.03Å; M265-I426 HydrophobicContact CE-CG2 4.03Å; M265-I426 WeakPolarHBondContact O-CA 3.33Å; L267-I426 HydrophobicContact CB-CG2 3.89Å; L267-I426 HydrophobicContact CD2-CG2 4.23Å; L282-I426 HydrophobicContact CD1-CD1 4.03Å; L394-I426 PolarHBondContact O-N 2.79Å; I395-I426 HydrophobicContact CB-CB 4.47Å; I395-I426 HydrophobicContact CD1-CD1 4.46Å; I395-I426 HydrophobicContact CG1-CB 4.2Å; I395-I426 HydrophobicContact CG1-CD1 4.14Å; I395-I426 HydrophobicContact CG1-CG1 4.34Å; I395-I426 HydrophobicContact CG2-CB 4.32Å; L396-I426 PolarHBondContact N-O 3.42Å; I426-V428 HydrophobicContact CG2-CG2 4.4Å
427	F	94.5	Very high	87.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	106	179.6	175.3	-139.4	0	0	0	109.5	I264 M265 A266 L267 P399 F412 M415 T429 Q434 V438	I264-F427 HydrophobicContact CG2-CB 4.21Å; M265-F427 PolarHBondContact O-N 2.8Å; A266-F427 CarbonylContact C-O 3.58Å; A266-F427 VanDerWaalsContact CA-O 3.24Å; A266-F427 WeakPolarHBondContact CA-O 3.21Å; L267-F427 PolarHBondContact N-O 3.23Å; P399-F427 HydrophobicContact CG-CD2 3.84Å; P399-F427 HydrophobicContact CG-CE2 3.52Å; F412-F427 HydrophobicContact CE1-CE1 4.44Å; F412-F427 HydrophobicContact CE1-CZ 4.07Å; F412-F427 HydrophobicContact CZ-CZ 4.47Å; M415-F427 HydrophobicContact CE-CB 4.02Å; M415-F427 HydrophobicContact CE-CD1 4.06Å; M415-F427 HydrophobicContact CE-CD2 4.02Å; M415-F427 HydrophobicContact CE-CG 3.77Å; F427-T429 HydrophobicContact CD1-CG2 3.94Å; F427-T429 HydrophobicContact CE1-CG2 3.45Å; F427-T429 VanDerWaalsContact CE1-CG2 3.45Å; F427-T429 HydrophobicContact CE2-CG2 4.09Å; F427-T429 HydrophobicContact CG-CG2 4.47Å; F427-T429 HydrophobicContact CZ-CG2 3.53Å; F427-Q434 HydrophobicContact CE1-CB 4.39Å; F427-Q434 HydrophobicContact CZ-CB 4.34Å; F427-V438 HydrophobicContact CD1-CG1 3.83Å; F427-V438 HydrophobicContact CE1-CG1 3.72Å
428	V	90.5	Very high	87.2	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.6	174.1	-168.4	0	0	0	0	107.4	L267 K275 I279 L396 D397 E398 P399 I426	L267-V428 HydrophobicContact CB-CG2 4.3Å; L267-V428 HydrophobicContact CD2-CG2 4.35Å; K275-V428 HydrophobicContact CD-CG1 4Å; I279-V428 HydrophobicContact CD1-CG2 3.65Å; L396-V428 PolarHBondContact O-N 2.59Å; D397-V428 WeakPolarHBondContact OD1-CG1 3.3Å; E398-V428 VanDerWaalsContact CA-O 3.25Å; E398-V428 WeakPolarHBondContact CA-O 3.39Å; E398-V428 PolarHBondContact N-O 3.2Å; P399-V428 WeakPolarHBondContact CD-O 3.49Å; I426-V428 HydrophobicContact CG2-CG2 4.4Å
429	T	79.9	Confident	87.1	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.181	C	C	.	.			trans	-152.7	161.1	176.3	-179.2	0	0	0	0	108.8	L268 E398 F427 F431 Q434 V435	L268-T429 HydrophobicContact CD2-CG2 4.05Å; L268-T429 WeakPolarHBondContact CD2-O 3.44Å; E398-T429 WeakPolarHBondContact OE2-CA 3.39Å; F427-T429 HydrophobicContact CD1-CG2 3.94Å; F427-T429 HydrophobicContact CE1-CG2 3.45Å; F427-T429 VanDerWaalsContact CE1-CG2 3.45Å; F427-T429 HydrophobicContact CE2-CG2 4.09Å; F427-T429 HydrophobicContact CG-CG2 4.47Å; F427-T429 HydrophobicContact CZ-CG2 3.53Å; T429-F431 WeakPolarHBondContact OG1-CD2 3.36Å; T429-F431 PolarHBondContact OG1-N 3.23Å; T429-Q434 PolarHBondContact OG1-OE1 3.46Å; T429-V435 HydrophobicContact CG2-CG2 3.35Å
430	H	69.5	Low	87.2	Confident	46 Å²	46	37.3 Å²	37.3	21%	0.213	19%	0.185	C	C	.	.	S	Bend	trans	-106.6	-5.5	166.3	59.5	-75.1	0	0	0	112.2	E398 I432	E398-H430 VanDerWaalsContact CD-ND1 3.33Å; E398-H430 IonicContact OE1-CG 2.63Å; E398-H430 PolarHBondContact OE1-N 3.49Å; E398-H430 IonicContact OE1-ND1 3.96Å; E398-H430 PolarHBondContact OE1-ND1 3.16Å; E398-H430 IonicContact OE2-CE1 2.78Å; E398-H430 PolarHBondContact OE2-CE1 3.46Å; E398-H430 IonicContact OE2-CG 2.7Å; E398-H430 PolarHBondContact OE2-N 3.49Å; E398-H430 IonicContact OE2-ND1 3.2Å; E398-H430 PolarHBondContact OE2-ND1 3.24Å; H430-I432 PolarHBondContact O-N 3.18Å
431	F	72.1	Confident	87.2	Confident	54 Å²	54	32.8 Å²	32.8	24%	0.237	16%	0.16	C	C	.	.			trans	-84.4	105.6	-179.6	-59.1	-71.4	0	0	0	110.6	T429 D433 Q434 V435	T429-F431 WeakPolarHBondContact OG1-CD2 3.36Å; T429-F431 PolarHBondContact OG1-N 3.23Å; F431-D433 PolarHBondContact O-N 2.96Å; F431-Q434 HydrophobicContact CB-CB 3.88Å; F431-Q434 HydrophobicContact CB-CG 3.66Å; F431-Q434 VanDerWaalsContact CD2-NE2 3.31Å; F431-Q434 HydrophobicContact CG-CG 4.41Å; F431-Q434 WeakPolarHBondContact O-CB 3.26Å; F431-Q434 PolarHBondContact O-N 3.14Å; F431-V435 WeakPolarHBondContact O-CG2 3.49Å; F431-V435 PolarHBondContact O-N 3.08Å
432	I	71.1	Confident	87.1	Confident	32 Å²	32	26.5 Å²	26.5	16%	0.164	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-45.3	-177	-66.8	177.2	0	0	0	111.4	H430 Q434 V435 Y436 Q461 L464 V465	H430-I432 PolarHBondContact O-N 3.18Å; I432-Q434 VanDerWaalsContact C-N 3.26Å; I432-Q434 PolarHBondContact O-N 3.38Å; I432-V435 WeakPolarHBondContact O-CA 3.29Å; I432-V435 VanDerWaalsContact O-CB 3.24Å; I432-V435 WeakPolarHBondContact O-CB 3.48Å; I432-V435 PolarHBondContact O-N 2.97Å; I432-Y436 HydrophobicContact CG2-CD2 3.78Å; I432-Y436 HydrophobicContact CG2-CE2 3.64Å; I432-Y436 VanDerWaalsContact O-CD2 3.32Å; I432-Y436 WeakPolarHBondContact O-CD2 3.25Å; I432-Y436 PolarHBondContact O-N 3.13Å; I432-Q461 HydrophobicContact CG2-CB 4.35Å; I432-Q461 HydrophobicContact CG2-CG 3.91Å; I432-L464 HydrophobicContact CG1-CD2 4.33Å; I432-L464 HydrophobicContact CG2-CD2 4.04Å; I432-V465 HydrophobicContact CD1-CG2 3.48Å; I432-V465 VanDerWaalsContact CD1-CG2 3.48Å
433	D	73.7	Confident	87	Confident	93 Å²	93	25.3 Å²	25.3	50%	0.497	12%	0.123	S	C	.	.	H	α-helix	trans	-59.3	-38.9	-179.2	-67.1	-35	0	0	0	112.9	F431 V435 Y436 Q437 Q461	F431-D433 PolarHBondContact O-N 2.96Å; D433-V435 VanDerWaalsContact C-N 3.29Å; D433-V435 PolarHBondContact O-N 3.37Å; D433-Y436 PolarHBondContact O-N 2.87Å; D433-Q437 VanDerWaalsContact O-CG 3.28Å; D433-Q437 WeakPolarHBondContact O-CG 3.38Å; D433-Q437 PolarHBondContact O-N 3.29Å; D433-Q437 VanDerWaalsContact O-N 3.07Å; D433-Q461 PolarHBondContact OD1-NE2 3.28Å
434	Q	80.6	Confident	86.4	Confident	24 Å²	24	24.5 Å²	24.5	11%	0.112	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-38.6	176.1	-69.3	-178.8	13.3	0	0	111.8	T400 F412 F427 T429 F431 I432 Y436 Q437 V438	T400-Q434 VanDerWaalsContact CB-OE1 3.25Å; T400-Q434 PolarHBondContact OG1-OE1 2.88Å; F412-Q434 HydrophobicContact CE2-CB 4.33Å; F412-Q434 HydrophobicContact CE2-CG 4.33Å; F412-Q434 HydrophobicContact CZ-CB 3.67Å; F412-Q434 HydrophobicContact CZ-CG 3.79Å; F427-Q434 HydrophobicContact CE1-CB 4.39Å; F427-Q434 HydrophobicContact CZ-CB 4.34Å; T429-Q434 PolarHBondContact OG1-OE1 3.46Å; F431-Q434 HydrophobicContact CB-CB 3.88Å; F431-Q434 HydrophobicContact CB-CG 3.66Å; F431-Q434 VanDerWaalsContact CD2-NE2 3.31Å; F431-Q434 HydrophobicContact CG-CG 4.41Å; F431-Q434 WeakPolarHBondContact O-CB 3.26Å; F431-Q434 PolarHBondContact O-N 3.14Å; I432-Q434 VanDerWaalsContact C-N 3.26Å; I432-Q434 PolarHBondContact O-N 3.38Å; Q434-Y436 VanDerWaalsContact C-N 3.34Å; Q434-Y436 PolarHBondContact O-N 2.75Å; Q434-Q437 PolarHBondContact O-N 2.69Å; Q434-V438 WeakPolarHBondContact O-CG1 3.41Å; Q434-V438 PolarHBondContact O-N 3.08Å
435	V	83.9	Confident	85.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.9	-48.8	176.5	173.4	0	0	0	0	110.2	A266 L268 T429 F431 I432 D433 Q437 V438 S439 I442	A266-V435 HydrophobicContact CB-CB 4.34Å; A266-V435 HydrophobicContact CB-CG1 3.53Å; A266-V435 HydrophobicContact CB-CG2 4.04Å; L268-V435 HydrophobicContact CD1-CG1 4.27Å; L268-V435 HydrophobicContact CD1-CG2 3.95Å; L268-V435 HydrophobicContact CD2-CG2 3.76Å; L268-V435 HydrophobicContact CG-CG2 4.34Å; T429-V435 HydrophobicContact CG2-CG2 3.35Å; F431-V435 WeakPolarHBondContact O-CG2 3.49Å; F431-V435 PolarHBondContact O-N 3.08Å; I432-V435 WeakPolarHBondContact O-CA 3.29Å; I432-V435 VanDerWaalsContact O-CB 3.24Å; I432-V435 WeakPolarHBondContact O-CB 3.48Å; I432-V435 PolarHBondContact O-N 2.97Å; D433-V435 VanDerWaalsContact C-N 3.29Å; D433-V435 PolarHBondContact O-N 3.37Å; V435-Q437 VanDerWaalsContact C-N 3.28Å; V435-Q437 PolarHBondContact O-N 2.9Å; V435-V438 PolarHBondContact O-N 3.1Å; V435-S439 WeakPolarHBondContact O-CB 3.45Å; V435-S439 PolarHBondContact O-N 3.27Å; V435-S439 PolarHBondContact O-OG 2.73Å; V435-I442 HydrophobicContact CG1-CD1 3.53Å; V435-I442 HydrophobicContact CG1-CG1 3.56Å
436	Y	84.3	Confident	83.9	Confident	60 Å²	60	27.3 Å²	27.3	24%	0.235	13%	0.128	C	C	.	.	H	α-helix	trans	-68.5	-25.4	-179.1	-78.5	-84.2	0	0	0	113.9	I432 D433 Q434 I442 T456 L459 P460 Q461 L464	I432-Y436 HydrophobicContact CG2-CD2 3.78Å; I432-Y436 HydrophobicContact CG2-CE2 3.64Å; I432-Y436 VanDerWaalsContact O-CD2 3.32Å; I432-Y436 WeakPolarHBondContact O-CD2 3.25Å; I432-Y436 PolarHBondContact O-N 3.13Å; D433-Y436 PolarHBondContact O-N 2.87Å; Q434-Y436 VanDerWaalsContact C-N 3.34Å; Q434-Y436 PolarHBondContact O-N 2.75Å; Y436-I442 HydrophobicContact CE2-CD1 4.38Å; Y436-T456 HydrophobicContact CD1-CG2 3.58Å; Y436-T456 HydrophobicContact CE1-CG2 3.96Å; Y436-T456 WeakPolarHBondContact CE1-O 3.2Å; Y436-T456 HydrophobicContact CG-CG2 4.19Å; Y436-L459 WeakPolarHBondContact CE1-O 3.27Å; Y436-L459 PolarHBondContact OH-O 3.45Å; Y436-P460 PolarHBondContact OH-O 3.29Å; Y436-Q461 HydrophobicContact CD2-CG 3.81Å; Y436-Q461 HydrophobicContact CE2-CB 4.31Å; Y436-Q461 HydrophobicContact CE2-CG 3.46Å; Y436-Q461 VanDerWaalsContact CE2-CG 3.46Å; Y436-Q461 WeakPolarHBondContact OH-CA 3.47Å; Y436-Q461 PolarHBondContact OH-N 2.87Å; Y436-L464 HydrophobicContact CE2-CD2 3.84Å
437	Q	85.1	Confident	82.2	Confident	104 Å²	104	30.2 Å²	30.2	49%	0.486	14%	0.143	S	C	.	.	H	α-helix	trans	-76.4	-27.6	178.8	-74.7	174.2	9.2	0	0	113.8	F412 D433 Q434 V435	F412-Q437 HydrophobicContact CD2-CB 4.47Å; F412-Q437 HydrophobicContact CE2-CB 4.15Å; D433-Q437 VanDerWaalsContact O-CG 3.28Å; D433-Q437 WeakPolarHBondContact O-CG 3.38Å; D433-Q437 PolarHBondContact O-N 3.29Å; D433-Q437 VanDerWaalsContact O-N 3.07Å; Q434-Q437 PolarHBondContact O-N 2.69Å; V435-Q437 VanDerWaalsContact C-N 3.28Å; V435-Q437 PolarHBondContact O-N 2.9Å
438	V	92.7	Very high	80.5	Confident	6 Å²	6	31.2 Å²	31.2	4%	0.036	15%	0.154	C	C	.	.	H	α-helix	trans	-132	-20.7	-166.9	81.2	0	0	0	0	115.2	I264 F412 M415 R416 F427 Q434 V435	I264-V438 HydrophobicContact CD1-CG2 3.96Å; I264-V438 WeakPolarHBondContact CD1-O 3.49Å; I264-V438 HydrophobicContact CG2-CG1 4.42Å; F412-V438 HydrophobicContact CB-CG2 4.1Å; F412-V438 HydrophobicContact CD1-CB 4.24Å; F412-V438 HydrophobicContact CD1-CG1 4.25Å; F412-V438 HydrophobicContact CD1-CG2 4.11Å; F412-V438 HydrophobicContact CD2-CB 4.35Å; F412-V438 HydrophobicContact CE1-CB 4.48Å; F412-V438 HydrophobicContact CE1-CG1 4.1Å; F412-V438 HydrophobicContact CG-CB 4.18Å; F412-V438 HydrophobicContact CG-CG2 4.05Å; F412-V438 HydrophobicContact CZ-CG1 4.37Å; M415-V438 HydrophobicContact CB-CG2 4.33Å; M415-V438 HydrophobicContact CE-CG1 3.88Å; M415-V438 HydrophobicContact CE-CG2 4.1Å; R416-V438 HydrophobicContact CG-CG2 4.23Å; F427-V438 HydrophobicContact CD1-CG1 3.83Å; F427-V438 HydrophobicContact CE1-CG1 3.72Å; Q434-V438 WeakPolarHBondContact O-CG1 3.41Å; Q434-V438 PolarHBondContact O-N 3.08Å; V435-V438 PolarHBondContact O-N 3.1Å
439	S	93.7	Very high	79	Confident	8 Å²	8	32.6 Å²	32.6	6%	0.056	16%	0.163	C	C	.	.			trans	-93.8	139.5	-169.9	-44.7	0	0	0	0	112	I264 V435 T456	I264-S439 CarbonylContact O-C 3.37Å; V435-S439 WeakPolarHBondContact O-CB 3.45Å; V435-S439 PolarHBondContact O-N 3.27Å; V435-S439 PolarHBondContact O-OG 2.73Å; S439-T456 WeakPolarHBondContact O-CB 3.34Å; S439-T456 WeakPolarHBondContact O-CG2 2.98Å; S439-T456 PolarHBondContact O-OG1 3.28Å
440	D	95.9	Very high	78.7	Confident	52 Å²	52	35.8 Å²	35.8	28%	0.278	18%	0.177	S	C	.	.	S	Bend	trans	-82.4	-39.3	175.2	-51.3	-62	0	0	0	110.7	E263 I264 R419 T456	E263-D440 HydrophobicContact CG-CB 4.13Å; I264-D440 PolarHBondContact N-OD2 2.8Å; I264-D440 PolarHBondContact O-N 3.27Å; R419-D440 WeakPolarHBondContact CD-OD2 3.28Å; R419-D440 IonicContact NH1-OD1 3.64Å; R419-D440 PolarHBondContact NH1-OD1 3.36Å; R419-D440 IonicContact NH1-OD2 3.39Å; D440-T456 WeakPolarHBondContact O-CB 3.27Å; D440-T456 PolarHBondContact O-N 3.05Å; D440-T456 PolarHBondContact O-OG1 2.95Å
441	R	94.8	Very high	78.7	Confident	22 Å²	22	36 Å²	36	8%	0.083	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.3	176.7	-76.1	169.2	80.2	-158.6	-2.5	112.6	E263 I264 M265 A266 C453 R454 E455 T456	E263-R441 WeakPolarHBondContact OE1-CD 3.39Å; E263-R441 IonicContact OE1-NH1 2.88Å; E263-R441 IonicContact OE2-NH1 2.78Å; E263-R441 PolarHBondContact OE2-NH1 3.45Å; I264-R441 PolarHBondContact O-N 3.19Å; M265-R441 CarbonylContact C-O 3.54Å; M265-R441 WeakPolarHBondContact CA-O 3.33Å; A266-R441 PolarHBondContact N-O 3.02Å; R441-C453 PolarHBondContact NE-SG 2.91Å; R441-C453 VanDerWaalsContact NE-SG 3.39Å; R441-C453 PolarHBondContact NH2-SG 2.9Å; R441-R454 CarbonylContact C-O 3.55Å; R441-R454 WeakPolarHBondContact CA-O 3.41Å; R441-E455 WeakPolarHBondContact CG-OE2 3.4Å; R441-E455 IonicContact NE-OE1 2.77Å; R441-T456 PolarHBondContact N-OG1 2.92Å
442	I	91.1	Very high	79.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.9	178.7	-54.7	172.1	0	0	0	109.1	A266 L268 V435 Y436 V444 C453 R454 T456 L459 L464	A266-I442 HydrophobicContact CB-CG1 4.32Å; A266-I442 HydrophobicContact CB-CG2 4.49Å; L268-I442 HydrophobicContact CD1-CG2 3.55Å; L268-I442 HydrophobicContact CG-CG2 4.08Å; V435-I442 HydrophobicContact CG1-CD1 3.53Å; V435-I442 HydrophobicContact CG1-CG1 3.56Å; Y436-I442 HydrophobicContact CE2-CD1 4.38Å; I442-V444 HydrophobicContact CG2-CG2 4.25Å; I442-C453 CarbonylContact O-C 3.45Å; I442-C453 VanDerWaalsContact O-CA 3.23Å; I442-C453 WeakPolarHBondContact O-CA 3.29Å; I442-R454 PolarHBondContact N-O 2.57Å; I442-R454 PolarHBondContact O-N 3.13Å; I442-T456 HydrophobicContact CD1-CG2 4.06Å; I442-T456 HydrophobicContact CG1-CG2 4.48Å; I442-T456 WeakPolarHBondContact CG1-OG1 3.32Å; I442-L459 HydrophobicContact CB-CD2 4.38Å; I442-L459 HydrophobicContact CD1-CD2 3.96Å; I442-L464 HydrophobicContact CD1-CD2 4.15Å; I442-L464 HydrophobicContact CG2-CD1 3.69Å
443	T	90.4	Very high	79.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.6	171.1	-68.2	0	0	0	0	109.1	F257 M265 A266 L267 L268 F450 G452 C453	F257-T443 HydrophobicContact CB-CG2 4.26Å; M265-T443 PolarHBondContact SD-OG1 3.48Å; A266-T443 PolarHBondContact O-N 2.81Å; L267-T443 HydrophobicContact CD1-CG2 3.82Å; L268-T443 PolarHBondContact N-O 3.4Å; T443-F450 HydrophobicContact CG2-CD2 3.93Å; T443-F450 HydrophobicContact CG2-CE2 3.69Å; T443-G452 WeakPolarHBondContact CA-O 2.88Å; T443-C453 PolarHBondContact OG1-SG 3.04Å
444	V	81.8	Confident	80.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127	178.7	-178.9	0	0	0	0	110.2	L268 I442 V451 G452 L464 M467 M468	L268-V444 HydrophobicContact CB-CG2 4.4Å; L268-V444 CarbonylContact O-C 3.57Å; L268-V444 WeakPolarHBondContact O-CA 3.3Å; I442-V444 HydrophobicContact CG2-CG2 4.25Å; V444-V451 HydrophobicContact CB-CB 4.12Å; V444-V451 HydrophobicContact CG1-CB 4.05Å; V444-V451 HydrophobicContact CG1-CG2 4.13Å; V444-V451 WeakPolarHBondContact O-CB 3.23Å; V444-V451 PolarHBondContact O-N 2.82Å; V444-G452 PolarHBondContact N-O 3.28Å; V444-L464 HydrophobicContact CG2-CD1 3.63Å; V444-M467 HydrophobicContact CB-CB 4.36Å; V444-M467 HydrophobicContact CB-CE 4.14Å; V444-M467 HydrophobicContact CG1-CB 4.25Å; V444-M467 HydrophobicContact CG2-CB 4.03Å; V444-M467 HydrophobicContact CG2-CE 3.87Å; V444-M468 HydrophobicContact CG1-CB 4.45Å; V444-M468 HydrophobicContact CG1-CG 3.89Å; V444-M468 HydrophobicContact CG2-CG 4.31Å
445	L	73.3	Confident	81.1	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.1	165.7	-60.9	-177.4	0	0	0	110.1	V255 L267 L268 G269 A273 K275 L278 S449 F450	V255-L445 HydrophobicContact CG1-CD2 3.78Å; L267-L445 HydrophobicContact CD1-CD1 3.93Å; L267-L445 HydrophobicContact CD1-CG 3.85Å; L268-L445 PolarHBondContact O-N 3.3Å; G269-L445 WeakPolarHBondContact CA-O 3.38Å; A273-L445 HydrophobicContact CB-CB 4.27Å; A273-L445 WeakPolarHBondContact CB-O 3.39Å; K275-L445 HydrophobicContact CG-CD1 4.25Å; L278-L445 HydrophobicContact CB-CD1 4.48Å; L278-L445 HydrophobicContact CD2-CD1 3.9Å; L445-S449 CarbonylContact C-O 3.11Å; L445-S449 VanDerWaalsContact CA-O 3.3Å; L445-S449 WeakPolarHBondContact CA-O 3.29Å; L445-F450 HydrophobicContact CD2-CB 4.31Å; L445-F450 HydrophobicContact CD2-CD2 4.45Å
446	R	68.2	Low	81.4	Confident	66 Å²	66	34.6 Å²	34.6	25%	0.249	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	131.9	174.5	-171.5	178	68.4	-138.3	6.1	109.7	G448 S449 V451 M467 M468	R446-G448 PolarHBondContact O-N 3.26Å; R446-G448 VanDerWaalsContact O-N 3.14Å; R446-S449 PolarHBondContact N-O 2.71Å; R446-S449 PolarHBondContact O-N 3.38Å; R446-V451 HydrophobicContact CB-CG2 3.38Å; R446-M467 PolarHBondContact NH1-O 3.33Å; R446-M468 VanDerWaalsContact CD-O 3.31Å; R446-M468 WeakPolarHBondContact CD-O 3.42Å
447	N	58.7	Low	81.6	Confident	65 Å²	65	41.8 Å²	41.8	35%	0.348	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	31.6	-179.9	-58.3	-35.5	0	0	0	114.6	P237 Y240 S449	P237-N447 HydrophobicContact CG-CB 4.21Å; Y240-N447 VanDerWaalsContact CD2-O 3.23Å; Y240-N447 WeakPolarHBondContact CD2-O 3.43Å; Y240-N447 WeakPolarHBondContact CE2-O 3.35Å; N447-S449 VanDerWaalsContact C-N 3.32Å
448	G	58.6	Low	81.6	Confident	21 Å²	21	41.7 Å²	41.7	22%	0.216	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-13.1	-176.7	0	0	0	0	0	114.4	V255 A273 R446	V255-G448 WeakPolarHBondContact CG2-O 3.28Å; A273-G448 VanDerWaalsContact O-CA 3.31Å; A273-G448 WeakPolarHBondContact O-CA 3.24Å; A273-G448 PolarHBondContact O-N 2.93Å; R446-G448 PolarHBondContact O-N 3.26Å; R446-G448 VanDerWaalsContact O-N 3.14Å
449	S	59.5	Low	81.1	Confident	29 Å²	29	41.7 Å²	41.7	20%	0.203	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	153.2	-174.5	-41.1	0	0	0	0	112.8	D253 L445 R446 N447	D253-S449 VanDerWaalsContact OD2-CA 3.24Å; D253-S449 WeakPolarHBondContact OD2-CA 3.46Å; D253-S449 VanDerWaalsContact OD2-CB 3.27Å; D253-S449 WeakPolarHBondContact OD2-CB 3.43Å; D253-S449 PolarHBondContact OD2-N 2.82Å; D253-S449 PolarHBondContact OD2-OG 2.99Å; L445-S449 CarbonylContact C-O 3.11Å; L445-S449 VanDerWaalsContact CA-O 3.3Å; L445-S449 WeakPolarHBondContact CA-O 3.29Å; R446-S449 PolarHBondContact N-O 2.71Å; R446-S449 PolarHBondContact O-N 3.38Å; N447-S449 VanDerWaalsContact C-N 3.32Å
450	F	73.3	Confident	80.3	Confident	68 Å²	68	44.8 Å²	44.8	30%	0.298	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.5	169.8	175.7	-99.2	0	0	0	110.8	V255 D256 F257 T443 L445 G452 C453	V255-F450 HydrophobicContact CG1-CB 4.21Å; D256-F450 WeakPolarHBondContact O-CD2 2.83Å; D256-F450 VanDerWaalsContact O-CE2 3.22Å; D256-F450 WeakPolarHBondContact O-CE2 3.44Å; D256-F450 VanDerWaalsContact O-CG 3.29Å; D256-F450 WeakPolarHBondContact O-CG 3.36Å; F257-F450 HydrophobicContact CB-CD2 4.35Å; F257-F450 HydrophobicContact CB-CE2 4.22Å; T443-F450 HydrophobicContact CG2-CD2 3.93Å; T443-F450 HydrophobicContact CG2-CE2 3.69Å; L445-F450 HydrophobicContact CD2-CB 4.31Å; L445-F450 HydrophobicContact CD2-CD2 4.45Å; F450-G452 VanDerWaalsContact CZ-CA 3.45Å; F450-C453 HydrophobicContact CE2-CB 4Å; F450-C453 HydrophobicContact CZ-CB 3.77Å
451	V	70.3	Confident	79.2	Confident	49 Å²	49	45.8 Å²	45.8	30%	0.297	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-40	177.9	179.4	0	0	0	0	111.3	V444 R446 M467	V444-V451 HydrophobicContact CB-CB 4.12Å; V444-V451 HydrophobicContact CG1-CB 4.05Å; V444-V451 HydrophobicContact CG1-CG2 4.13Å; V444-V451 WeakPolarHBondContact O-CB 3.23Å; V444-V451 PolarHBondContact O-N 2.82Å; R446-V451 HydrophobicContact CB-CG2 3.38Å; V451-M467 HydrophobicContact CG1-CB 4.26Å; V451-M467 HydrophobicContact CG1-CE 4.45Å
452	G	80.3	Confident	77.6	Confident	13 Å²	13	49.2 Å²	49.2	13%	0.134	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	162.2	-177.1	0	0	0	0	0	113	T443 V444 F450	T443-G452 WeakPolarHBondContact CA-O 2.88Å; V444-G452 PolarHBondContact N-O 3.28Å; F450-G452 VanDerWaalsContact CZ-CA 3.45Å
453	C	86.2	Confident	76.4	Confident	32 Å²	32	50.7 Å²	50.7	22%	0.216	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.4	173.9	-173.6	0	0	0	0	109.9	R441 I442 T443 F450	R441-C453 PolarHBondContact NE-SG 2.91Å; R441-C453 VanDerWaalsContact NE-SG 3.39Å; R441-C453 PolarHBondContact NH2-SG 2.9Å; I442-C453 CarbonylContact O-C 3.45Å; I442-C453 VanDerWaalsContact O-CA 3.23Å; I442-C453 WeakPolarHBondContact O-CA 3.29Å; T443-C453 PolarHBondContact OG1-SG 3.04Å; F450-C453 HydrophobicContact CE2-CB 4Å; F450-C453 HydrophobicContact CZ-CB 3.77Å
454	R	88.6	Confident	75.4	Confident	81 Å²	81	50.7 Å²	50.7	31%	0.306	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153	-175.6	-60.2	-73	-83.5	-73.1	-8.5	110.5	R441 I442 L459 E463 M467	R441-R454 CarbonylContact C-O 3.55Å; R441-R454 WeakPolarHBondContact CA-O 3.41Å; I442-R454 PolarHBondContact N-O 2.57Å; I442-R454 PolarHBondContact O-N 3.13Å; R454-L459 HydrophobicContact CB-CB 4.29Å; R454-L459 HydrophobicContact CB-CD2 4.25Å; R454-L459 HydrophobicContact CG-CD1 4.38Å; R454-E463 IonicContact CZ-OE1 2.63Å; R454-E463 VanDerWaalsContact CZ-OE1 3.32Å; R454-E463 IonicContact NH1-OE1 2.92Å; R454-E463 PolarHBondContact NH1-OE1 2.92Å; R454-E463 IonicContact NH2-OE1 3.69Å; R454-E463 PolarHBondContact NH2-OE1 2.99Å; R454-E463 IonicContact NH2-OE2 3.57Å; R454-E463 PolarHBondContact NH2-OE2 2.92Å; R454-M467 HydrophobicContact CG-CE 4.33Å; R454-M467 HydrophobicContact CG-SD 4.37Å
455	E	92.5	Very high	74.4	Confident	41 Å²	41	51.9 Å²	51.9	19%	0.192	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.8	168.9	-60.8	-65.4	156.7	0	0	108.9	R260 R441 R457 E458 L459	R260-E455 IonicContact CZ-OE1 2.76Å; R260-E455 VanDerWaalsContact CZ-OE1 3.26Å; R260-E455 IonicContact NH1-OE1 3.35Å; R260-E455 PolarHBondContact NH1-OE1 2.92Å; R260-E455 IonicContact NH1-OE2 2.78Å; R260-E455 IonicContact NH2-OE1 3.49Å; R260-E455 PolarHBondContact NH2-OE1 2.97Å; R441-E455 WeakPolarHBondContact CG-OE2 3.4Å; R441-E455 IonicContact NE-OE1 2.77Å; E455-R457 HydrophobicContact CB-CG 4.36Å; E455-R457 PolarHBondContact O-N 3.18Å; E455-E458 HydrophobicContact CB-CB 4.23Å; E455-E458 HydrophobicContact CB-CG 4.11Å; E455-E458 PolarHBondContact O-N 3.06Å; E455-L459 PolarHBondContact O-N 3.21Å
456	T	90.1	Very high	74	Confident	8 Å²	8	54.6 Å²	54.6	5%	0.049	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54.8	-42.3	-176.2	-60.3	0	0	0	0	111.3	Y436 S439 D440 R441 I442 E458 L459	Y436-T456 HydrophobicContact CD1-CG2 3.58Å; Y436-T456 HydrophobicContact CE1-CG2 3.96Å; Y436-T456 WeakPolarHBondContact CE1-O 3.2Å; Y436-T456 HydrophobicContact CG-CG2 4.19Å; S439-T456 WeakPolarHBondContact O-CB 3.34Å; S439-T456 WeakPolarHBondContact O-CG2 2.98Å; S439-T456 PolarHBondContact O-OG1 3.28Å; D440-T456 WeakPolarHBondContact O-CB 3.27Å; D440-T456 PolarHBondContact O-N 3.05Å; D440-T456 PolarHBondContact O-OG1 2.95Å; R441-T456 PolarHBondContact N-OG1 2.92Å; I442-T456 HydrophobicContact CD1-CG2 4.06Å; I442-T456 HydrophobicContact CG1-CG2 4.48Å; I442-T456 WeakPolarHBondContact CG1-OG1 3.32Å; T456-E458 PolarHBondContact O-N 3.36Å; T456-L459 PolarHBondContact O-N 3.32Å
457	R	88	Confident	73.9	Confident	211 Å²	211	52.4 Å²	52.4	80%	0.796	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-65.5	-18.9	-179.2	76.9	-167.6	-177.9	141.5	5.5	114.3	E455	E455-R457 HydrophobicContact CB-CG 4.36Å; E455-R457 PolarHBondContact O-N 3.18Å
458	E	85.7	Confident	74.2	Confident	102 Å²	102	49.5 Å²	49.5	48%	0.477	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-105.3	-1.7	-175.3	-65.3	171.1	-161.7	0	0	112.3	E455 T456	E455-E458 HydrophobicContact CB-CB 4.23Å; E455-E458 HydrophobicContact CB-CG 4.11Å; E455-E458 PolarHBondContact O-N 3.06Å; T456-E458 PolarHBondContact O-N 3.36Å
459	L	82	Confident	74	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.026	24%	0.24	C	C	.	.	S	Bend	trans	-112.5	110.2	-176.9	-174.3	65	0	0	0	109.8	Y436 I442 R454 E455 T456 E463 L464 M467	Y436-L459 WeakPolarHBondContact CE1-O 3.27Å; Y436-L459 PolarHBondContact OH-O 3.45Å; I442-L459 HydrophobicContact CB-CD2 4.38Å; I442-L459 HydrophobicContact CD1-CD2 3.96Å; R454-L459 HydrophobicContact CB-CB 4.29Å; R454-L459 HydrophobicContact CB-CD2 4.25Å; R454-L459 HydrophobicContact CG-CD1 4.38Å; E455-L459 PolarHBondContact O-N 3.21Å; T456-L459 PolarHBondContact O-N 3.32Å; L459-E463 HydrophobicContact CD1-CB 3.74Å; L459-E463 VanDerWaalsContact CD1-CD 3.43Å; L459-E463 HydrophobicContact CD1-CG 3.65Å; L459-L464 HydrophobicContact CD2-CB 3.78Å; L459-L464 HydrophobicContact CD2-CD1 3.88Å; L459-L464 HydrophobicContact CD2-CG 4.34Å; L459-L464 HydrophobicContact CG-CB 4.17Å; L459-M467 HydrophobicContact CD1-SD 3.89Å; L459-M467 HydrophobicContact CD2-SD 4.07Å
460	P	76.6	Confident	73.7	Confident	73 Å²	73	49.8 Å²	49.8	47%	0.474	25%	0.251	S	S	.	.			trans	-63.7	145.4	170.4	-22.7	34.7	0	0	0	112	Y436 I462 E463 L464	Y436-P460 PolarHBondContact OH-O 3.29Å; P460-I462 VanDerWaalsContact C-N 3.25Å; P460-I462 HydrophobicContact CB-CG2 4.32Å; P460-I462 PolarHBondContact O-N 3.03Å; P460-E463 WeakPolarHBondContact CD-OE2 3.45Å; P460-E463 WeakPolarHBondContact O-CB 3.42Å; P460-E463 PolarHBondContact O-N 3.25Å; P460-L464 PolarHBondContact O-N 3.31Å; P460-L464 VanDerWaalsContact O-N 3.12Å
461	Q	72.3	Confident	72.4	Confident	73 Å²	73	51 Å²	51	34%	0.341	25%	0.253	S	S	.	.	H	α-helix	trans	-52.7	-41.9	-178.9	-72.2	-168.6	-8	0	0	112.7	I432 D433 Y436 E463 L464 V465	I432-Q461 HydrophobicContact CG2-CB 4.35Å; I432-Q461 HydrophobicContact CG2-CG 3.91Å; D433-Q461 PolarHBondContact OD1-NE2 3.28Å; Y436-Q461 HydrophobicContact CD2-CG 3.81Å; Y436-Q461 HydrophobicContact CE2-CB 4.31Å; Y436-Q461 HydrophobicContact CE2-CG 3.46Å; Y436-Q461 VanDerWaalsContact CE2-CG 3.46Å; Y436-Q461 WeakPolarHBondContact OH-CA 3.47Å; Y436-Q461 PolarHBondContact OH-N 2.87Å; Q461-E463 VanDerWaalsContact C-N 3.29Å; Q461-E463 PolarHBondContact O-N 2.84Å; Q461-L464 WeakPolarHBondContact O-CB 3.16Å; Q461-L464 PolarHBondContact O-N 3.12Å; Q461-L464 VanDerWaalsContact O-N 3.17Å; Q461-V465 WeakPolarHBondContact O-CG2 3.48Å; Q461-V465 PolarHBondContact O-N 2.69Å
462	I	61.5	Low	70.9	Confident	94 Å²	94	53.3 Å²	53.3	48%	0.482	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-33.9	178.3	-163.4	163.1	0	0	0	112.9	P460 K466	P460-I462 VanDerWaalsContact C-N 3.25Å; P460-I462 HydrophobicContact CB-CG2 4.32Å; P460-I462 PolarHBondContact O-N 3.03Å; I462-K466 WeakPolarHBondContact O-CG 3.46Å; I462-K466 PolarHBondContact O-N 2.97Å
463	E	65.5	Low	68.8	Low	31 Å²	31	54.3 Å²	54.3	15%	0.145	26%	0.263	C	S	.	.	H	α-helix	trans	-71.8	-38.1	176.2	-169.8	-175.3	168.6	0	0	110.6	R454 L459 P460 Q461 K466 M467	R454-E463 IonicContact CZ-OE1 2.63Å; R454-E463 VanDerWaalsContact CZ-OE1 3.32Å; R454-E463 IonicContact NH1-OE1 2.92Å; R454-E463 PolarHBondContact NH1-OE1 2.92Å; R454-E463 IonicContact NH2-OE1 3.69Å; R454-E463 PolarHBondContact NH2-OE1 2.99Å; R454-E463 IonicContact NH2-OE2 3.57Å; R454-E463 PolarHBondContact NH2-OE2 2.92Å; L459-E463 HydrophobicContact CD1-CB 3.74Å; L459-E463 VanDerWaalsContact CD1-CD 3.43Å; L459-E463 HydrophobicContact CD1-CG 3.65Å; P460-E463 WeakPolarHBondContact CD-OE2 3.45Å; P460-E463 WeakPolarHBondContact O-CB 3.42Å; P460-E463 PolarHBondContact O-N 3.25Å; Q461-E463 VanDerWaalsContact C-N 3.29Å; Q461-E463 PolarHBondContact O-N 2.84Å; E463-K466 WeakPolarHBondContact O-CB 3.4Å; E463-K466 PolarHBondContact O-N 3.08Å; E463-M467 WeakPolarHBondContact O-CG 3.4Å; E463-M467 PolarHBondContact O-N 3.02Å
464	L	70.4	Confident	66.4	Low	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-47.3	174.1	174.5	58.6	0	0	0	111.9	L268 I432 Y436 I442 V444 L459 P460 Q461 K466 M467 M468	L268-L464 HydrophobicContact CD1-CD1 3.74Å; L268-L464 HydrophobicContact CD1-CD2 3.62Å; L268-L464 HydrophobicContact CD1-CG 4.11Å; I432-L464 HydrophobicContact CG1-CD2 4.33Å; I432-L464 HydrophobicContact CG2-CD2 4.04Å; Y436-L464 HydrophobicContact CE2-CD2 3.84Å; I442-L464 HydrophobicContact CD1-CD2 4.15Å; I442-L464 HydrophobicContact CG2-CD1 3.69Å; V444-L464 HydrophobicContact CG2-CD1 3.63Å; L459-L464 HydrophobicContact CD2-CB 3.78Å; L459-L464 HydrophobicContact CD2-CD1 3.88Å; L459-L464 HydrophobicContact CD2-CG 4.34Å; L459-L464 HydrophobicContact CG-CB 4.17Å; P460-L464 PolarHBondContact O-N 3.31Å; P460-L464 VanDerWaalsContact O-N 3.12Å; Q461-L464 WeakPolarHBondContact O-CB 3.16Å; Q461-L464 PolarHBondContact O-N 3.12Å; Q461-L464 VanDerWaalsContact O-N 3.17Å; L464-K466 VanDerWaalsContact C-N 3.27Å; L464-K466 PolarHBondContact O-N 3.42Å; L464-M467 WeakPolarHBondContact O-CB 3.46Å; L464-M467 PolarHBondContact O-N 3.47Å; L464-M467 VanDerWaalsContact O-N 3.08Å; L464-M468 HydrophobicContact CD1-CG 4.25Å; L464-M468 HydrophobicContact CD1-SD 4.24Å; L464-M468 HydrophobicContact CG-SD 4.16Å; L464-M468 WeakPolarHBondContact O-CG 3.36Å; L464-M468 PolarHBondContact O-N 2.91Å
465	V	61.2	Low	64	Low	25 Å²	25	55.4 Å²	55.4	15%	0.152	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-42.1	176.6	175.8	0	0	0	0	110.8	I432 Q461 M467 M468 L469 L473 V662	I432-V465 HydrophobicContact CD1-CG2 3.48Å; I432-V465 VanDerWaalsContact CD1-CG2 3.48Å; Q461-V465 WeakPolarHBondContact O-CG2 3.48Å; Q461-V465 PolarHBondContact O-N 2.69Å; V465-M467 PolarHBondContact O-N 2.95Å; V465-M468 PolarHBondContact O-N 2.6Å; V465-L469 HydrophobicContact CG1-CD1 3.7Å; V465-L469 HydrophobicContact CG1-CG 4.35Å; V465-L469 WeakPolarHBondContact O-CB 3.46Å; V465-L469 WeakPolarHBondContact O-CG 3.41Å; V465-L469 PolarHBondContact O-N 2.76Å; V465-L473 HydrophobicContact CB-CD1 4.47Å; V465-L473 HydrophobicContact CG1-CD1 3.53Å; V465-L473 HydrophobicContact CG1-CG 4.44Å; V465-V662 HydrophobicContact CG1-CG1 4.1Å
466	K	63.5	Low	61.3	Low	60 Å²	60	59.4 Å²	59.4	26%	0.261	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-42.8	173.9	-71.5	177.2	-178	-168.2	0	112.2	I462 E463 L464 M468 G470	I462-K466 WeakPolarHBondContact O-CG 3.46Å; I462-K466 PolarHBondContact O-N 2.97Å; E463-K466 WeakPolarHBondContact O-CB 3.4Å; E463-K466 PolarHBondContact O-N 3.08Å; L464-K466 VanDerWaalsContact C-N 3.27Å; L464-K466 PolarHBondContact O-N 3.42Å; K466-M468 VanDerWaalsContact C-N 3.34Å; K466-M468 PolarHBondContact O-N 2.86Å; K466-G470 PolarHBondContact O-N 3.04Å
467	M	68.1	Low	58.8	Low	20 Å²	20	60.5 Å²	60.5	10%	0.099	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-44.7	175.8	-70.6	176.6	66.3	0	0	111.3	V444 R446 V451 R454 L459 E463 L464 V465	V444-M467 HydrophobicContact CB-CB 4.36Å; V444-M467 HydrophobicContact CB-CE 4.14Å; V444-M467 HydrophobicContact CG1-CB 4.25Å; V444-M467 HydrophobicContact CG2-CB 4.03Å; V444-M467 HydrophobicContact CG2-CE 3.87Å; R446-M467 PolarHBondContact NH1-O 3.33Å; V451-M467 HydrophobicContact CG1-CB 4.26Å; V451-M467 HydrophobicContact CG1-CE 4.45Å; R454-M467 HydrophobicContact CG-CE 4.33Å; R454-M467 HydrophobicContact CG-SD 4.37Å; L459-M467 HydrophobicContact CD1-SD 3.89Å; L459-M467 HydrophobicContact CD2-SD 4.07Å; E463-M467 WeakPolarHBondContact O-CG 3.4Å; E463-M467 PolarHBondContact O-N 3.02Å; L464-M467 WeakPolarHBondContact O-CB 3.46Å; L464-M467 PolarHBondContact O-N 3.47Å; L464-M467 VanDerWaalsContact O-N 3.08Å; V465-M467 PolarHBondContact O-N 2.95Å
468	M	63.8	Low	56.7	Low	4 Å²	4	52.2 Å²	52.2	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-43.2	-179.1	-68	176.4	70	0	0	112.6	L268 V444 R446 L464 V465 K466 V662	L268-M468 HydrophobicContact CB-CE 4.19Å; L268-M468 HydrophobicContact CB-CG 4.45Å; L268-M468 HydrophobicContact CB-SD 4.09Å; L268-M468 HydrophobicContact CD1-SD 4.22Å; V444-M468 HydrophobicContact CG1-CB 4.45Å; V444-M468 HydrophobicContact CG1-CG 3.89Å; V444-M468 HydrophobicContact CG2-CG 4.31Å; R446-M468 VanDerWaalsContact CD-O 3.31Å; R446-M468 WeakPolarHBondContact CD-O 3.42Å; L464-M468 HydrophobicContact CD1-CG 4.25Å; L464-M468 HydrophobicContact CD1-SD 4.24Å; L464-M468 HydrophobicContact CG-SD 4.16Å; L464-M468 WeakPolarHBondContact O-CG 3.36Å; L464-M468 PolarHBondContact O-N 2.91Å; V465-M468 PolarHBondContact O-N 2.6Å; K466-M468 VanDerWaalsContact C-N 3.34Å; K466-M468 PolarHBondContact O-N 2.86Å; M468-V662 HydrophobicContact CE-CB 4.1Å; M468-V662 HydrophobicContact CE-CG2 3.36Å; M468-V662 HydrophobicContact SD-CG2 4.09Å
469	L	55.1	Low	54.8	Low	14 Å²	14	53.1 Å²	53.1	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-85	-24.8	-175.2	-69.5	176.5	0	0	0	114.3	E270 V465 R471 L473 V662 A666	E270-L469 VanDerWaalsContact OE1-CD2 3.3Å; E270-L469 WeakPolarHBondContact OE1-CD2 3.42Å; V465-L469 HydrophobicContact CG1-CD1 3.7Å; V465-L469 HydrophobicContact CG1-CG 4.35Å; V465-L469 WeakPolarHBondContact O-CB 3.46Å; V465-L469 WeakPolarHBondContact O-CG 3.41Å; V465-L469 PolarHBondContact O-N 2.76Å; L469-R471 HydrophobicContact CB-CG 4.22Å; L469-R471 PolarHBondContact O-N 3.1Å; L469-L473 HydrophobicContact CD1-CD1 4.45Å; L469-L473 HydrophobicContact CD1-CD2 4.26Å; L469-L473 HydrophobicContact CD1-CG 4.08Å; L469-V662 HydrophobicContact CD1-CG1 4.03Å; L469-V662 HydrophobicContact CD2-CB 4.45Å; L469-V662 HydrophobicContact CD2-CG1 3.74Å; L469-V662 HydrophobicContact CG-CG1 3.72Å; L469-A666 HydrophobicContact CD1-CB 4.23Å; L469-A666 HydrophobicContact CD2-CB 4.38Å
470	G	51.9	Low	53.3	Low	42 Å²	42	55 Å²	55	43%	0.433	29%	0.286	S	S	.	.	S	Bend	trans	68.2	1.3	179.2	0	0	0	0	0	117.2	K466	K466-G470 PolarHBondContact O-N 3.04Å
471	R	46.5	Very low	51.8	Low	92 Å²	92	56.3 Å²	56.3	35%	0.347	30%	0.303	S	S	.	.	S	Bend	trans	-112.5	151.1	165	54	-172.9	176.9	-157.6	-1.2	107.4	L469 L473	L469-R471 HydrophobicContact CB-CG 4.22Å; L469-R471 PolarHBondContact O-N 3.1Å; R471-L473 PolarHBondContact O-N 3.46Å
472	E	38.3	Very low	50.8	Low	99 Å²	99	55.3 Å²	55.3	46%	0.463	31%	0.312	S	S	.	.			trans	-50.3	121.1	151.3	-73.8	176.9	174.3	0	0	105.3	D474	E472-D474 PolarHBondContact O-N 3.42Å
473	L	36.8	Very low	50.4	Low	34 Å²	34	61 Å²	61	18%	0.178	33%	0.328	C	S	.	.			trans	-51.4	101.9	139.4	-83.6	166.5	0	0	0	101.6	V465 L469 R471 T475 L478	V465-L473 HydrophobicContact CB-CD1 4.47Å; V465-L473 HydrophobicContact CG1-CD1 3.53Å; V465-L473 HydrophobicContact CG1-CG 4.44Å; L469-L473 HydrophobicContact CD1-CD1 4.45Å; L469-L473 HydrophobicContact CD1-CD2 4.26Å; L469-L473 HydrophobicContact CD1-CG 4.08Å; R471-L473 PolarHBondContact O-N 3.46Å; L473-T475 PolarHBondContact O-N 3.23Å; L473-L478 HydrophobicContact CB-CD1 4.33Å; L473-L478 HydrophobicContact CD1-CD1 4.18Å; L473-L478 HydrophobicContact CD2-CD1 4.37Å
474	D	35.8	Very low	50.1	Low	75 Å²	75	61.7 Å²	61.7	40%	0.401	33%	0.334	S	S	.	.			trans	-50.3	107.3	171.3	-165.4	-6.7	0	0	0	102.1	E472 H476 A477 L478	E472-D474 PolarHBondContact O-N 3.42Å; D474-H476 PolarHBondContact O-N 2.9Å; D474-H476 VanDerWaalsContact OD1-CB 3.23Å; D474-H476 WeakPolarHBondContact OD1-CB 3.32Å; D474-H476 IonicContact OD1-CD2 3.4Å; D474-H476 PolarHBondContact OD1-CD2 3.08Å; D474-H476 IonicContact OD1-CG 3.36Å; D474-H476 PolarHBondContact OD1-N 2.89Å; D474-A477 HydrophobicContact CB-CB 3.86Å; D474-A477 WeakPolarHBondContact O-CA 3.24Å; D474-A477 VanDerWaalsContact O-CB 3.3Å; D474-A477 WeakPolarHBondContact O-CB 3.43Å; D474-A477 PolarHBondContact O-N 3.1Å; D474-L478 PolarHBondContact O-N 2.87Å
475	T	37.5	Very low	50.2	Low	60 Å²	60	64 Å²	64	37%	0.368	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.7	177.1	33.3	0	0	0	0	108.5	L473 L478 Q479	L473-T475 PolarHBondContact O-N 3.23Å; T475-L478 CarbonylContact O-C 3.6Å; T475-Q479 VanDerWaalsContact O-CB 3.27Å; T475-Q479 WeakPolarHBondContact O-CB 3.49Å; T475-Q479 WeakPolarHBondContact O-CG 3.41Å; T475-Q479 PolarHBondContact O-N 3.39Å
476	H	37.4	Very low	51	Low	126 Å²	126	68.2 Å²	68.2	58%	0.583	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-22.6	162.5	-55.3	-63.2	0	0	0	115.4	D474 Q479	D474-H476 PolarHBondContact O-N 2.9Å; D474-H476 VanDerWaalsContact OD1-CB 3.23Å; D474-H476 WeakPolarHBondContact OD1-CB 3.32Å; D474-H476 IonicContact OD1-CD2 3.4Å; D474-H476 PolarHBondContact OD1-CD2 3.08Å; D474-H476 IonicContact OD1-CG 3.36Å; D474-H476 PolarHBondContact OD1-N 2.89Å; H476-Q479 CarbonylContact O-C 3.56Å; H476-Q479 PolarHBondContact O-N 3.17Å
477	A	37.7	Very low	52.1	Low	31 Å²	31	67.7 Å²	67.7	26%	0.256	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-43	164.9	0	0	0	0	0	110.2	D474 Q479	D474-A477 HydrophobicContact CB-CB 3.86Å; D474-A477 WeakPolarHBondContact O-CA 3.24Å; D474-A477 VanDerWaalsContact O-CB 3.3Å; D474-A477 WeakPolarHBondContact O-CB 3.43Å; D474-A477 PolarHBondContact O-N 3.1Å; A477-Q479 PolarHBondContact O-N 2.83Å
478	L	44.2	Very low	53	Low	36 Å²	36	73 Å²	73	19%	0.188	40%	0.4	C	S	.	.	S	Bend	trans	-81	9.2	170.8	-61.9	172.2	0	0	0	113.6	L473 D474 T475 I669 G694	L473-L478 HydrophobicContact CB-CD1 4.33Å; L473-L478 HydrophobicContact CD1-CD1 4.18Å; L473-L478 HydrophobicContact CD2-CD1 4.37Å; D474-L478 PolarHBondContact O-N 2.87Å; T475-L478 CarbonylContact O-C 3.6Å; L478-I669 HydrophobicContact CD2-CG2 4.38Å; L478-G694 CarbonylContact C-O 3.57Å; L478-G694 WeakPolarHBondContact CA-O 3.37Å; L478-G694 CarbonylContact O-C 3.54Å; L478-G694 WeakPolarHBondContact O-CA 3.41Å
479	Q	45.3	Very low	54.3	Low	122 Å²	122	80.9 Å²	80.9	57%	0.57	43%	0.434	S	S	*	.	S	Bend	trans	-121.9	86.8	166.8	-78	174.7	-1.3	0	0	106.1	T475 H476 A477 A481	T475-Q479 VanDerWaalsContact O-CB 3.27Å; T475-Q479 WeakPolarHBondContact O-CB 3.49Å; T475-Q479 WeakPolarHBondContact O-CG 3.41Å; T475-Q479 PolarHBondContact O-N 3.39Å; H476-Q479 CarbonylContact O-C 3.56Å; H476-Q479 PolarHBondContact O-N 3.17Å; A477-Q479 PolarHBondContact O-N 2.83Å; Q479-A481 PolarHBondContact O-N 2.93Å
480	R	51	Low	56.2	Low	44 Å²	44	82.1 Å²	82.1	17%	0.166	44%	0.442	C	S	.	.			trans	-39	112.2	177.1	-164.4	177.1	-161.4	-131.8	13.3	111.1	G482 T484 G513 C676 D697	R480-G482 VanDerWaalsContact C-N 3.32Å; R480-G482 PolarHBondContact O-N 3.49Å; R480-T484 PolarHBondContact NH1-OG1 3.48Å; R480-T484 PolarHBondContact NH2-OG1 2.84Å; R480-G513 PolarHBondContact NH2-O 3.02Å; R480-C676 PolarHBondContact NH2-SG 2.59Å; R480-D697 IonicContact CZ-OD1 3.79Å; R480-D697 IonicContact CZ-OD2 2.67Å; R480-D697 VanDerWaalsContact CZ-OD2 3.25Å; R480-D697 IonicContact NH1-OD1 2.66Å; R480-D697 PolarHBondContact NH1-OD1 2.78Å; R480-D697 IonicContact NH1-OD2 3.3Å; R480-D697 PolarHBondContact NH1-OD2 3.03Å; R480-D697 IonicContact NH2-OD2 2.77Å
481	A	44.8	Very low	58.3	Low	101 Å²	101	80.9 Å²	80.9	84%	0.835	43%	0.426	S	S	*	.			trans	-71.4	82.8	-175.1	0	0	0	0	0	111.2	Q479	Q479-A481 PolarHBondContact O-N 2.93Å
482	G	50.8	Low	60.7	Low	52 Å²	52	76.5 Å²	76.5	54%	0.536	41%	0.41	S	S	.	.	S	Bend	trans	70.5	162.6	174.3	0	0	0	0	0	114.6	R480 T484	R480-G482 VanDerWaalsContact C-N 3.32Å; R480-G482 PolarHBondContact O-N 3.49Å; G482-T484 PolarHBondContact O-N 2.9Å
483	R	52.4	Low	63.5	Low	214 Å²	214	72.2 Å²	72.2	81%	0.808	39%	0.392	S	S	*	.			trans	-64.3	119.4	-172.9	-70.3	178.4	168.3	-175.5	-4	112.1
484	T	60.6	Low	66.4	Low	44 Å²	44	70.8 Å²	70.8	27%	0.27	38%	0.384	S	S	.	.			trans	-92.1	8.4	167.9	18.5	0	0	0	0	113.8	R480 G482 L486 A677	R480-T484 PolarHBondContact NH1-OG1 3.48Å; R480-T484 PolarHBondContact NH2-OG1 2.84Å; G482-T484 PolarHBondContact O-N 2.9Å; T484-L486 PolarHBondContact O-N 3.08Å; T484-A677 HydrophobicContact CG2-CB 4.47Å
485	L	72	Confident	69.4	Low	48 Å²	48	74 Å²	74	25%	0.251	40%	0.395	S	S	.	.			trans	-54.4	109.7	175.5	-74	173.9	0	0	0	110.1	S487 R511 E514	L485-S487 VanDerWaalsContact C-N 3.31Å; L485-R511 HydrophobicContact CD2-CB 3.74Å; L485-R511 HydrophobicContact CD2-CG 4.47Å; L485-E514 HydrophobicContact CD2-CB 3.76Å; L485-E514 HydrophobicContact CD2-CG 4.11Å
486	L	78.6	Confident	72.2	Confident	114 Å²	114	75.7 Å²	75.7	60%	0.597	40%	0.401	S	S	*	.			trans	-79.4	-19.9	-179.5	-60.6	179.2	0	0	0	111.9	T484 P512	T484-L486 PolarHBondContact O-N 3.08Å; L486-P512 HydrophobicContact CB-CB 4.33Å; L486-P512 PolarHBondContact N-O 3.49Å
487	S	86.5	Confident	75.1	Confident	49 Å²	49	70.2 Å²	70.2	34%	0.343	38%	0.376	S	S	.	.			trans	-166.3	145.9	-178.5	152.1	0	0	0	0	111.1	L485 K489	L485-S487 VanDerWaalsContact C-N 3.31Å; S487-K489 VanDerWaalsContact C-N 3.28Å; S487-K489 PolarHBondContact O-N 2.8Å; S487-K489 PolarHBondContact OG-N 3.35Å
488	D	86.2	Confident	77.8	Confident	133 Å²	133	68.8 Å²	68.8	71%	0.711	36%	0.363	S	S	*	.	S	Bend	trans	-73.4	-17.8	174.7	-66.6	-44.3	0	0	0	113.8	R511	D488-R511 PolarHBondContact O-NE 3.42Å
489	K	92.1	Very high	80.2	Confident	169 Å²	169	69.5 Å²	69.5	74%	0.735	37%	0.365	S	S	*	.	S	Bend	trans	-72.6	124.1	178.6	-65.1	-179.2	-179	175.5	0	110.7	S487 P512	S487-K489 VanDerWaalsContact C-N 3.28Å; S487-K489 PolarHBondContact O-N 2.8Å; S487-K489 PolarHBondContact OG-N 3.35Å; K489-P512 VanDerWaalsContact O-CD 3.28Å; K489-P512 WeakPolarHBondContact O-CD 3.42Å
490	P	94.6	Very high	82.4	Confident	39 Å²	39	72.3 Å²	72.3	25%	0.253	38%	0.375	S	S	.	.			trans	-68	140.9	-179.9	26.5	-33.2	0	0	0	112.3	A493 E509	P490-A493 HydrophobicContact CB-CB 4.26Å; P490-A493 HydrophobicContact CG-CB 4.05Å; P490-E509 HydrophobicContact CB-CB 4.17Å
491	V	95.5	Very high	84.1	Confident	16 Å²	16	73.3 Å²	73.3	10%	0.097	40%	0.4	C	S	.	.	S	Bend	trans	-72.7	-42.8	169.8	176.7	0	0	0	0	109.9	V510 P512 I546 K547 Q649 F650 A681	V491-V510 PolarHBondContact N-O 3.48Å; V491-P512 HydrophobicContact CG2-CB 4.04Å; V491-P512 HydrophobicContact CG2-CG 3.55Å; V491-I546 WeakPolarHBondContact O-CA 3.49Å; V491-K547 PolarHBondContact O-N 3.2Å; V491-Q649 HydrophobicContact CG1-CB 3.6Å; V491-F650 HydrophobicContact CG1-CB 4.18Å; V491-A681 HydrophobicContact CB-CB 4.05Å; V491-A681 HydrophobicContact CG1-CB 4.48Å; V491-A681 HydrophobicContact CG2-CB 4.01Å
492	A	97.1	Very high	86.2	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.9	176.4	0	0	0	0	0	109.2	F494 E509 V510 L545 I546 F650	A492-F494 HydrophobicContact CB-CE2 3.72Å; A492-F494 HydrophobicContact CB-CZ 4.19Å; A492-E509 CarbonylContact O-C 3.37Å; A492-E509 WeakPolarHBondContact O-CA 3.4Å; A492-V510 PolarHBondContact N-O 3.35Å; A492-V510 PolarHBondContact O-N 3.29Å; A492-L545 WeakPolarHBondContact CA-O 3.41Å; A492-I546 HydrophobicContact CB-CD1 3.71Å; A492-F650 HydrophobicContact CB-CB 4.5Å; A492-F650 HydrophobicContact CB-CD1 3.73Å; A492-F650 HydrophobicContact CB-CE1 4.09Å; A492-F650 HydrophobicContact CB-CG 4.09Å
493	A	97.6	Very high	88.2	Confident	10 Å²	10	67.2 Å²	67.2	8%	0.083	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126	175.2	0	0	0	0	0	109.8	P490 L508 E509 V544 L545	P490-A493 HydrophobicContact CB-CB 4.26Å; P490-A493 HydrophobicContact CG-CB 4.05Å; A493-L508 CarbonylContact C-O 3.54Å; A493-L508 WeakPolarHBondContact CA-O 3.36Å; A493-E509 HydrophobicContact CB-CG 3.94Å; A493-V544 CarbonylContact O-C 3.56Å; A493-V544 WeakPolarHBondContact O-CA 3.34Å; A493-L545 HydrophobicContact CB-CB 4.3Å; A493-L545 PolarHBondContact N-O 3.02Å; A493-L545 PolarHBondContact O-N 2.98Å
494	F	97.9	Very high	89.9	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.4	180	-57.8	-91.3	0	0	0	107.3	A492 Y497 F506 D507 L508 I533 V544 I546 L553 F650	A492-F494 HydrophobicContact CB-CE2 3.72Å; A492-F494 HydrophobicContact CB-CZ 4.19Å; F494-Y497 HydrophobicContact CB-CG 4.3Å; F494-Y497 AromaticContact CD1-CD1 3.7Å; F494-Y497 HydrophobicContact CD1-CD1 3.7Å; F494-Y497 HydrophobicContact CD1-CD2 4.44Å; F494-Y497 AromaticContact CD1-CE1 3.99Å; F494-Y497 HydrophobicContact CD1-CE1 3.99Å; F494-Y497 AromaticContact CD1-CG 3.94Å; F494-Y497 HydrophobicContact CD1-CG 3.94Å; F494-Y497 HydrophobicContact CE1-CD1 4.42Å; F494-Y497 HydrophobicContact CE1-CE1 4.3Å; F494-F506 HydrophobicContact CB-CE2 4.24Å; F494-D507 WeakPolarHBondContact O-CA 3.46Å; F494-L508 HydrophobicContact CB-CB 4.29Å; F494-L508 HydrophobicContact CD2-CB 4.1Å; F494-L508 HydrophobicContact CD2-CD2 4.05Å; F494-L508 HydrophobicContact CD2-CG 4.2Å; F494-L508 HydrophobicContact CE2-CD2 4.37Å; F494-L508 PolarHBondContact N-O 3.41Å; F494-L508 PolarHBondContact O-N 3.27Å; F494-I533 HydrophobicContact CD1-CG1 4.38Å; F494-I533 HydrophobicContact CE1-CB 4.37Å; F494-I533 HydrophobicContact CE1-CG1 4.14Å; F494-I533 HydrophobicContact CE1-CG2 3.94Å; F494-I533 HydrophobicContact CE2-CG1 4.49Å; F494-I533 HydrophobicContact CE2-CG2 4.12Å; F494-I533 HydrophobicContact CZ-CB 4.37Å; F494-I533 HydrophobicContact CZ-CG1 4.25Å; F494-I533 HydrophobicContact CZ-CG2 3.51Å; F494-V544 HydrophobicContact CD1-CB 4.02Å; F494-V544 HydrophobicContact CD1-CG2 3.65Å; F494-V544 HydrophobicContact CE1-CB 4.14Å; F494-V544 HydrophobicContact CE1-CG2 3.38Å; F494-V544 HydrophobicContact CG-CG2 4.43Å; F494-V544 HydrophobicContact CZ-CG2 3.95Å; F494-I546 HydrophobicContact CZ-CD1 4.41Å; F494-L553 HydrophobicContact CE1-CD1 3.98Å; F494-L553 HydrophobicContact CZ-CD1 4.46Å; F494-F650 HydrophobicContact CE2-CE1 4.06Å; F494-F650 HydrophobicContact CZ-CE1 4.25Å
495	K	97.8	Very high	91.6	Very high	143 Å²	143	59.5 Å²	59.5	62%	0.622	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.6	-179.5	-172.1	173.9	-174.9	171.3	0	110.9	Y497 D507 G542 T543	K495-Y497 PolarHBondContact O-N 3.27Å; K495-Y497 VanDerWaalsContact O-N 3.15Å; K495-D507 WeakPolarHBondContact CA-OD1 3.45Å; K495-G542 CarbonylContact O-C 3.58Å; K495-G542 WeakPolarHBondContact O-CA 3.5Å; K495-T543 PolarHBondContact N-O 3.38Å; K495-T543 PolarHBondContact O-N 2.98Å
496	N	96.8	Very high	92.8	Very high	94 Å²	94	57.6 Å²	57.6	50%	0.503	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.4	33	-175.2	-164	42.7	0	0	0	112	P505 F506 D507 S541 G542	N496-P505 WeakPolarHBondContact OD1-CB 3.22Å; N496-F506 PolarHBondContact N-O 3.36Å; N496-D507 PolarHBondContact N-OD1 3.32Å; N496-S541 CarbonylContact O-C 3.59Å; N496-S541 PolarHBondContact O-OG 3.39Å; N496-G542 WeakPolarHBondContact O-CA 3.33Å; N496-G542 PolarHBondContact O-N 3.48Å
497	Y	97.3	Very high	93.7	Very high	12 Å²	12	56.3 Å²	56.3	5%	0.047	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.5	-170.1	-155.9	-111.2	0	0	0	109.5	F494 K495 P505 F506 V532 A539 S541 V544	F494-Y497 HydrophobicContact CB-CG 4.3Å; F494-Y497 AromaticContact CD1-CD1 3.7Å; F494-Y497 HydrophobicContact CD1-CD1 3.7Å; F494-Y497 HydrophobicContact CD1-CD2 4.44Å; F494-Y497 AromaticContact CD1-CE1 3.99Å; F494-Y497 HydrophobicContact CD1-CE1 3.99Å; F494-Y497 AromaticContact CD1-CG 3.94Å; F494-Y497 HydrophobicContact CD1-CG 3.94Å; F494-Y497 HydrophobicContact CE1-CD1 4.42Å; F494-Y497 HydrophobicContact CE1-CE1 4.3Å; K495-Y497 PolarHBondContact O-N 3.27Å; K495-Y497 VanDerWaalsContact O-N 3.15Å; Y497-P505 CarbonylContact O-C 3.43Å; Y497-P505 VanDerWaalsContact O-CA 3.31Å; Y497-P505 WeakPolarHBondContact O-CA 3.39Å; Y497-F506 HydrophobicContact CD1-CZ 4.01Å; Y497-F506 PolarHBondContact N-O 2.96Å; Y497-F506 WeakPolarHBondContact O-CD1 3.46Å; Y497-F506 VanDerWaalsContact O-CE1 3.24Å; Y497-F506 WeakPolarHBondContact O-CE1 3.39Å; Y497-F506 WeakPolarHBondContact O-CG 3.47Å; Y497-F506 PolarHBondContact O-N 3.36Å; Y497-V532 HydrophobicContact CD1-CG1 3.87Å; Y497-V532 HydrophobicContact CE1-CG1 3.7Å; Y497-A539 HydrophobicContact CD1-CB 4.17Å; Y497-A539 HydrophobicContact CD2-CB 4.17Å; Y497-A539 HydrophobicContact CE1-CB 3.62Å; Y497-A539 HydrophobicContact CE2-CB 3.6Å; Y497-A539 HydrophobicContact CG-CB 4.43Å; Y497-A539 WeakPolarHBondContact OH-CB 3.37Å; Y497-S541 WeakPolarHBondContact CD2-O 3.15Å; Y497-V544 HydrophobicContact CE2-CB 4.25Å; Y497-V544 HydrophobicContact CE2-CG1 4.33Å
498	G	94.8	Very high	94.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178	176.9	-173.1	0	0	0	0	0	113.6	A539 D540 S541	G498-A539 CarbonylContact O-C 3.5Å; G498-A539 VanDerWaalsContact O-CA 3.24Å; G498-A539 WeakPolarHBondContact O-CA 3.29Å; G498-A539 VanDerWaalsContact O-CB 3.26Å; G498-A539 WeakPolarHBondContact O-CB 3.34Å; G498-D540 PolarHBondContact O-N 2.87Å; G498-S541 PolarHBondContact N-O 2.96Å; G498-S541 PolarHBondContact N-OG 3.38Å; G498-S541 PolarHBondContact O-N 3.08Å
499	K	94.4	Very high	94.8	Very high	51 Å²	51	52.2 Å²	52.2	22%	0.222	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	116.7	178.5	-179.1	177.5	-171.2	139.9	0	110.4	G501 T502 I503 V532 K537 P538 D540	K499-G501 PolarHBondContact O-N 2.91Å; K499-T502 HydrophobicContact CD-CG2 4.35Å; K499-T502 WeakPolarHBondContact O-CA 3.33Å; K499-T502 WeakPolarHBondContact O-CB 3.33Å; K499-T502 PolarHBondContact O-N 2.89Å; K499-I503 CarbonylContact C-O 3.58Å; K499-I503 PolarHBondContact N-O 3.41Å; K499-I503 PolarHBondContact O-N 3.48Å; K499-V532 HydrophobicContact CB-CG2 3.97Å; K499-V532 HydrophobicContact CD-CG2 4.41Å; K499-K537 HydrophobicContact CD-CB 3.87Å; K499-P538 WeakPolarHBondContact CD-O 3.28Å; K499-P538 PolarHBondContact NZ-O 2.81Å; K499-P538 VanDerWaalsContact NZ-O 3.09Å; K499-D540 VanDerWaalsContact CA-OD1 3.28Å; K499-D540 WeakPolarHBondContact CA-OD1 3.43Å
500	K	91.3	Very high	95	Very high	181 Å²	181	44.2 Å²	44.2	79%	0.787	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	131.3	179.5	-170.5	179.6	-175.9	-178.3	0	111.4	T502 D540	K500-T502 PolarHBondContact O-N 3.35Å; K500-D540 WeakPolarHBondContact CB-OD2 3.43Å; K500-D540 PolarHBondContact N-OD1 3.29Å; K500-D540 VanDerWaalsContact N-OD1 3.12Å; K500-D540 PolarHBondContact N-OD2 3.18Å
501	G	86.9	Confident	95	Very high	66 Å²	66	45.3 Å²	45.3	68%	0.68	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	-4	-178.6	0	0	0	0	0	115.1	K499 R705	K499-G501 PolarHBondContact O-N 2.91Å; G501-R705 PolarHBondContact O-NH1 3.43Å
502	T	89	Confident	94.9	Very high	21 Å²	21	45.7 Å²	45.7	13%	0.129	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-61.2	177.8	-59.1	0	0	0	0	110.7	K499 K500 E528 V532 K537 R705	K499-T502 HydrophobicContact CD-CG2 4.35Å; K499-T502 WeakPolarHBondContact O-CA 3.33Å; K499-T502 WeakPolarHBondContact O-CB 3.33Å; K499-T502 PolarHBondContact O-N 2.89Å; K500-T502 PolarHBondContact O-N 3.35Å; T502-E528 HydrophobicContact CG2-CB 3.81Å; T502-E528 HydrophobicContact CG2-CG 3.92Å; T502-V532 HydrophobicContact CG2-CG2 4.1Å; T502-K537 HydrophobicContact CG2-CD 3.73Å; T502-R705 VanDerWaalsContact O-CD 3.22Å; T502-R705 WeakPolarHBondContact O-CD 3.44Å
503	I	92.3	Very high	94.7	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	134.9	178.3	-166.6	74.1	0	0	0	109.9	K499 F506 T529 V532 M702 R705	K499-I503 CarbonylContact C-O 3.58Å; K499-I503 PolarHBondContact N-O 3.41Å; K499-I503 PolarHBondContact O-N 3.48Å; I503-F506 HydrophobicContact CG1-CD1 4Å; I503-F506 HydrophobicContact CG1-CE1 4.26Å; I503-F506 HydrophobicContact CG2-CD1 4.26Å; I503-F506 HydrophobicContact CG2-CE1 3.91Å; I503-T529 WeakPolarHBondContact CD1-OG1 3.33Å; I503-V532 HydrophobicContact CG2-CB 4.32Å; I503-V532 HydrophobicContact CG2-CG1 4.4Å; I503-V532 HydrophobicContact CG2-CG2 3.88Å; I503-M702 HydrophobicContact CD1-CE 3.59Å; I503-M702 HydrophobicContact CG1-CE 4.33Å; I503-R705 VanDerWaalsContact CD1-C 3.5Å; I503-R705 HydrophobicContact CD1-CB 3.96Å; I503-R705 VanDerWaalsContact CD1-O 3.23Å; I503-R705 WeakPolarHBondContact CD1-O 3.5Å
504	A	89.9	Confident	94.5	Very high	27 Å²	27	45.4 Å²	45.4	22%	0.223	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	156.7	173	0	0	0	0	0	110.6	F506 R705 K706	A504-F506 PolarHBondContact O-N 3.09Å; A504-R705 VanDerWaalsContact CB-O 3.24Å; A504-R705 WeakPolarHBondContact CB-O 3.47Å; A504-R705 PolarHBondContact N-O 2.9Å; A504-K706 HydrophobicContact CB-CB 4.39Å; A504-K706 HydrophobicContact CB-CG 3.57Å
505	P	95.9	Very high	94.4	Very high	68 Å²	68	45.2 Å²	45.2	44%	0.442	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	132.8	177.8	-24.6	34.4	0	0	0	112.5	N496 Y497	N496-P505 WeakPolarHBondContact OD1-CB 3.22Å; Y497-P505 CarbonylContact O-C 3.43Å; Y497-P505 VanDerWaalsContact O-CA 3.31Å; Y497-P505 WeakPolarHBondContact O-CA 3.39Å
506	F	96.9	Very high	94.3	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	162.2	-178.6	64.7	-98.3	0	0	0	111.4	F494 N496 Y497 I503 A504 L508 T529 I533 Q707	F494-F506 HydrophobicContact CB-CE2 4.24Å; N496-F506 PolarHBondContact N-O 3.36Å; Y497-F506 HydrophobicContact CD1-CZ 4.01Å; Y497-F506 PolarHBondContact N-O 2.96Å; Y497-F506 WeakPolarHBondContact O-CD1 3.46Å; Y497-F506 VanDerWaalsContact O-CE1 3.24Å; Y497-F506 WeakPolarHBondContact O-CE1 3.39Å; Y497-F506 WeakPolarHBondContact O-CG 3.47Å; Y497-F506 PolarHBondContact O-N 3.36Å; I503-F506 HydrophobicContact CG1-CD1 4Å; I503-F506 HydrophobicContact CG1-CE1 4.26Å; I503-F506 HydrophobicContact CG2-CD1 4.26Å; I503-F506 HydrophobicContact CG2-CE1 3.91Å; A504-F506 PolarHBondContact O-N 3.09Å; F506-L508 HydrophobicContact CD2-CB 4.27Å; F506-L508 HydrophobicContact CE2-CB 4.33Å; F506-T529 HydrophobicContact CD1-CG2 4.34Å; F506-T529 HydrophobicContact CD2-CG2 4.49Å; F506-T529 HydrophobicContact CE1-CG2 3.87Å; F506-T529 HydrophobicContact CE2-CG2 4.03Å; F506-T529 HydrophobicContact CZ-CG2 3.71Å; F506-I533 HydrophobicContact CE2-CD1 4.12Å; F506-I533 HydrophobicContact CE2-CG1 4.17Å; F506-I533 HydrophobicContact CZ-CD1 4.15Å; F506-I533 HydrophobicContact CZ-CG1 3.86Å; F506-Q707 HydrophobicContact CB-CB 4.1Å
507	D	97.4	Very high	94.3	Very high	87 Å²	87	33.9 Å²	33.9	47%	0.465	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.1	176.7	-68.6	-36.5	0	0	0	109.3	F494 K495 N496 Q707	F494-D507 WeakPolarHBondContact O-CA 3.46Å; K495-D507 WeakPolarHBondContact CA-OD1 3.45Å; N496-D507 PolarHBondContact N-OD1 3.32Å; D507-Q707 PolarHBondContact O-NE2 3.3Å; D507-Q707 PolarHBondContact O-OE1 3.45Å; D507-Q707 VanDerWaalsContact O-OE1 3.04Å
508	L	97.7	Very high	94.2	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	125.6	-178.6	173.4	67.7	0	0	0	110.8	A493 F494 F506 V510 V516 I533 L683 I700	A493-L508 CarbonylContact C-O 3.54Å; A493-L508 WeakPolarHBondContact CA-O 3.36Å; F494-L508 HydrophobicContact CB-CB 4.29Å; F494-L508 HydrophobicContact CD2-CB 4.1Å; F494-L508 HydrophobicContact CD2-CD2 4.05Å; F494-L508 HydrophobicContact CD2-CG 4.2Å; F494-L508 HydrophobicContact CE2-CD2 4.37Å; F494-L508 PolarHBondContact N-O 3.41Å; F494-L508 PolarHBondContact O-N 3.27Å; F506-L508 HydrophobicContact CD2-CB 4.27Å; F506-L508 HydrophobicContact CE2-CB 4.33Å; L508-V510 HydrophobicContact CD1-CG2 3.88Å; L508-V510 HydrophobicContact CD2-CG2 4.16Å; L508-V510 HydrophobicContact CG-CG2 3.91Å; L508-V516 HydrophobicContact CD1-CG1 3.96Å; L508-I533 HydrophobicContact CD2-CD1 3.61Å; L508-L683 HydrophobicContact CD2-CD1 4.38Å; L508-L683 HydrophobicContact CD2-CD2 4.08Å; L508-I700 HydrophobicContact CD1-CD1 3.47Å; L508-I700 VanDerWaalsContact CD1-CD1 3.47Å
509	E	97	Very high	93.8	Very high	91 Å²	91	33.5 Å²	33.5	43%	0.425	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.9	170.1	-62.6	-170	162.9	0	0	110.3	P490 A492 A493 R698	P490-E509 HydrophobicContact CB-CB 4.17Å; A492-E509 CarbonylContact O-C 3.37Å; A492-E509 WeakPolarHBondContact O-CA 3.4Å; A493-E509 HydrophobicContact CB-CG 3.94Å; E509-R698 PolarHBondContact O-NH2 2.99Å
510	V	97	Very high	92.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.4	177.4	-162.1	0	0	0	0	109.2	V491 A492 L508 E514 V516 F650 A681	V491-V510 PolarHBondContact N-O 3.48Å; A492-V510 PolarHBondContact N-O 3.35Å; A492-V510 PolarHBondContact O-N 3.29Å; L508-V510 HydrophobicContact CD1-CG2 3.88Å; L508-V510 HydrophobicContact CD2-CG2 4.16Å; L508-V510 HydrophobicContact CG-CG2 3.91Å; V510-E514 HydrophobicContact CG1-CB 4.46Å; V510-V516 HydrophobicContact CG1-CG2 4.05Å; V510-V516 HydrophobicContact CG2-CG2 4.18Å; V510-F650 HydrophobicContact CB-CD2 4.27Å; V510-F650 HydrophobicContact CB-CE2 3.97Å; V510-F650 HydrophobicContact CG1-CD2 4.3Å; V510-F650 HydrophobicContact CG1-CE2 4.05Å; V510-F650 HydrophobicContact CG2-CD2 4.46Å; V510-F650 HydrophobicContact CG2-CE2 3.7Å; V510-F650 HydrophobicContact CG2-CZ 4.01Å; V510-A681 HydrophobicContact CB-CB 4.34Å; V510-A681 HydrophobicContact CG1-CB 3.75Å
511	R	95.2	Very high	92	Very high	62 Å²	62	28.4 Å²	28.4	23%	0.234	17%	0.17	C	C	.	.			trans	-94.2	161.3	-175.7	-59.8	175.7	-172.9	100.8	0.4	111.7	L485 D488 G513 E514 A681	L485-R511 HydrophobicContact CD2-CB 3.74Å; L485-R511 HydrophobicContact CD2-CG 4.47Å; D488-R511 PolarHBondContact O-NE 3.42Å; R511-G513 PolarHBondContact O-N 2.91Å; R511-E514 HydrophobicContact CB-CB 4.07Å; R511-E514 WeakPolarHBondContact CB-OE2 3.39Å; R511-E514 VanDerWaalsContact CG-OE2 3.28Å; R511-E514 WeakPolarHBondContact CG-OE2 3.49Å; R511-E514 PolarHBondContact N-OE2 3.29Å; R511-E514 IonicContact NH1-OE1 3.86Å; R511-E514 PolarHBondContact NH1-OE1 2.74Å; R511-E514 IonicContact NH1-OE2 2.92Å; R511-E514 VanDerWaalsContact O-CB 3.28Å; R511-E514 WeakPolarHBondContact O-CB 3.4Å; R511-E514 PolarHBondContact O-N 3.44Å; R511-E514 VanDerWaalsContact O-N 3.14Å; R511-A681 WeakPolarHBondContact O-CB 3.31Å
512	P	93.7	Very high	91	Very high	25 Å²	25	32.3 Å²	32.3	16%	0.162	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	128.4	176.3	-10.7	22.8	0	0	0	110.5	L486 K489 V491 E514 G679	L486-P512 HydrophobicContact CB-CB 4.33Å; L486-P512 PolarHBondContact N-O 3.49Å; K489-P512 VanDerWaalsContact O-CD 3.28Å; K489-P512 WeakPolarHBondContact O-CD 3.42Å; V491-P512 HydrophobicContact CG2-CB 4.04Å; V491-P512 HydrophobicContact CG2-CG 3.55Å; P512-E514 VanDerWaalsContact C-N 3.31Å; P512-G679 WeakPolarHBondContact CA-O 3.38Å
513	G	92.2	Very high	89.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	25.1	-175.4	0	0	0	0	0	114	R480 R511 C676 G679 L680	R480-G513 PolarHBondContact NH2-O 3.02Å; R511-G513 PolarHBondContact O-N 2.91Å; G513-C676 VanDerWaalsContact CA-O 3.26Å; G513-C676 WeakPolarHBondContact CA-O 3.37Å; G513-C676 PolarHBondContact O-SG 2.84Å; G513-C676 VanDerWaalsContact O-SG 3.35Å; G513-G679 PolarHBondContact N-O 2.83Å; G513-L680 PolarHBondContact N-O 2.92Å
514	E	94.1	Very high	89	Confident	3 Å²	3	33.8 Å²	33.8	1%	0.014	19%	0.194	C	C	.	.			trans	-106.2	139.3	172.3	-167.3	177.8	-165	0	0	110.6	L485 V510 R511 P512 V516 L682 D697 R698	L485-E514 HydrophobicContact CD2-CB 3.76Å; L485-E514 HydrophobicContact CD2-CG 4.11Å; V510-E514 HydrophobicContact CG1-CB 4.46Å; R511-E514 HydrophobicContact CB-CB 4.07Å; R511-E514 WeakPolarHBondContact CB-OE2 3.39Å; R511-E514 VanDerWaalsContact CG-OE2 3.28Å; R511-E514 WeakPolarHBondContact CG-OE2 3.49Å; R511-E514 PolarHBondContact N-OE2 3.29Å; R511-E514 IonicContact NH1-OE1 3.86Å; R511-E514 PolarHBondContact NH1-OE1 2.74Å; R511-E514 IonicContact NH1-OE2 2.92Å; R511-E514 VanDerWaalsContact O-CB 3.28Å; R511-E514 WeakPolarHBondContact O-CB 3.4Å; R511-E514 PolarHBondContact O-N 3.44Å; R511-E514 VanDerWaalsContact O-N 3.14Å; P512-E514 VanDerWaalsContact C-N 3.31Å; E514-V516 HydrophobicContact CG-CG2 4.09Å; E514-L682 PolarHBondContact O-N 3.43Å; E514-D697 VanDerWaalsContact CA-OD2 3.3Å; E514-D697 WeakPolarHBondContact CA-OD2 3.34Å; E514-D697 HydrophobicContact CG-CB 3.92Å; E514-R698 WeakPolarHBondContact OE1-CD 3.31Å; E514-R698 IonicContact OE1-CZ 3.25Å; E514-R698 IonicContact OE1-NE 3.99Å; E514-R698 PolarHBondContact OE1-NE 3.01Å
515	I	94.5	Very high	88.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112	165.5	-49.1	-171.7	0	0	0	108.8	I672 C676 L682 V684 Y695 A696 D697	I515-I672 HydrophobicContact CD1-CG2 3.78Å; I515-C676 HydrophobicContact CD1-CB 3.77Å; I515-C676 HydrophobicContact CG1-CB 3.75Å; I515-C676 WeakPolarHBondContact CG1-SG 3.48Å; I515-L682 HydrophobicContact CB-CB 4.44Å; I515-L682 HydrophobicContact CD1-CD1 4.11Å; I515-L682 HydrophobicContact CG1-CB 4.2Å; I515-L682 HydrophobicContact CG1-CD1 4.12Å; I515-L682 HydrophobicContact CG2-CB 4.2Å; I515-V684 HydrophobicContact CG2-CB 4.29Å; I515-V684 HydrophobicContact CG2-CG2 3.66Å; I515-Y695 HydrophobicContact CD1-CD2 4.04Å; I515-Y695 HydrophobicContact CD1-CG 4.43Å; I515-Y695 HydrophobicContact CG2-CD2 3.84Å; I515-Y695 HydrophobicContact CG2-CE2 4.15Å; I515-A696 CarbonylContact O-C 3.45Å; I515-D697 PolarHBondContact N-OD2 3.24Å; I515-D697 WeakPolarHBondContact O-CB 3.36Å; I515-D697 PolarHBondContact O-N 3.25Å
516	V	96.2	Very high	88.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.1	170.3	-179.5	0	0	0	0	108.3	L508 V510 E514 L682 L683 V684 R698 I700	L508-V516 HydrophobicContact CD1-CG1 3.96Å; V510-V516 HydrophobicContact CG1-CG2 4.05Å; V510-V516 HydrophobicContact CG2-CG2 4.18Å; E514-V516 HydrophobicContact CG-CG2 4.09Å; V516-L682 PolarHBondContact N-O 2.8Å; V516-L683 HydrophobicContact CB-CD1 4.21Å; V516-L683 HydrophobicContact CG1-CD1 4.1Å; V516-L683 CarbonylContact O-C 3.59Å; V516-L683 WeakPolarHBondContact O-CA 3.34Å; V516-V684 PolarHBondContact O-N 2.86Å; V516-R698 HydrophobicContact CG1-CG 4.32Å; V516-R698 HydrophobicContact CG2-CG 4.17Å; V516-I700 HydrophobicContact CG1-CD1 3.72Å; V516-I700 HydrophobicContact CG1-CG1 4.04Å
517	G	95.7	Very high	88.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	146.5	172.7	0	0	0	0	0	111.6	V684 R698 V699 I700	G517-V684 CarbonylContact C-O 3.24Å; G517-V684 VanDerWaalsContact CA-O 3.3Å; G517-V684 WeakPolarHBondContact CA-O 3.47Å; G517-R698 PolarHBondContact N-O 3.01Å; G517-V699 CarbonylContact O-C 3.5Å; G517-V699 WeakPolarHBondContact O-CA 3.31Å; G517-I700 PolarHBondContact O-N 3.16Å
518	L	95.6	Very high	88	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.8	171.7	-163.9	69.8	0	0	0	109.4	R526 T529 L683 V684 I685 S686 I700 M702	L518-R526 HydrophobicContact CD2-CB 3.99Å; L518-R526 HydrophobicContact CD2-CG 4.2Å; L518-R526 HydrophobicContact CG-CB 4.5Å; L518-R526 HydrophobicContact CG-CG 4.2Å; L518-T529 HydrophobicContact CD2-CG2 4.22Å; L518-L683 HydrophobicContact CB-CD1 4.31Å; L518-V684 PolarHBondContact N-O 2.62Å; L518-I685 HydrophobicContact CB-CG1 4Å; L518-I685 HydrophobicContact CD2-CD1 4.14Å; L518-I685 HydrophobicContact CD2-CG1 3.96Å; L518-S686 PolarHBondContact O-N 2.88Å; L518-I700 WeakPolarHBondContact CA-O 3.08Å; L518-I700 HydrophobicContact CD1-CB 3.73Å; L518-I700 HydrophobicContact CD1-CG2 3.73Å; L518-M702 HydrophobicContact CD1-CG 3.45Å; L518-M702 VanDerWaalsContact CD1-CG 3.45Å; L518-M702 HydrophobicContact CD1-SD 3.81Å; L518-M702 HydrophobicContact CD2-CG 4.12Å; L518-M702 HydrophobicContact CG-CG 3.72Å
519	A	87.2	Confident	87.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	156.2	-177.3	0	0	0	0	0	111.7	L689 L692 V699 I700 I701 M702 I721	A519-L689 HydrophobicContact CB-CD2 4.01Å; A519-L692 HydrophobicContact CB-CD1 3.76Å; A519-V699 HydrophobicContact CB-CG1 3.59Å; A519-I700 PolarHBondContact N-O 3.09Å; A519-I701 HydrophobicContact CB-CD1 4.06Å; A519-M702 PolarHBondContact O-N 2.95Å; A519-I721 HydrophobicContact CB-CG2 3.8Å
520	G	75.4	Confident	87.9	Confident	8 Å²	8	24.1 Å²	24.1	8%	0.082	14%	0.138	C	C	.	.			trans	157.1	158	-178.3	0	0	0	0	0	111.4	R526 M702	G520-R526 PolarHBondContact O-NE 2.86Å; G520-R526 VanDerWaalsContact O-NE 3.16Å; G520-M702 WeakPolarHBondContact CA-O 3.34Å
521	L	71.1	Confident	87.9	Confident	116 Å²	116	25.9 Å²	25.9	61%	0.607	15%	0.146	S	C	*	.			trans	-66.1	166.3	177.7	-60.9	176.9	0	0	0	111.8	G523 S524 I725	L521-G523 PolarHBondContact O-N 3.47Å; L521-S524 WeakPolarHBondContact O-CB 3.49Å; L521-S524 PolarHBondContact O-N 3.2Å; L521-S524 PolarHBondContact O-OG 2.98Å; L521-I725 HydrophobicContact CD1-CG2 4.1Å; L521-I725 HydrophobicContact CD2-CG2 4.32Å; L521-I725 HydrophobicContact CG-CG2 3.79Å
522	L	66.1	Low	87.9	Confident	149 Å²	149	23 Å²	23	78%	0.78	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	133	171.3	-172.9	70.3	0	0	0	110.4	S524	L522-S524 VanDerWaalsContact C-N 3.29Å; L522-S524 PolarHBondContact O-N 3.17Å
523	G	64.3	Low	88.1	Confident	50 Å²	50	21.8 Å²	21.8	52%	0.515	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	2.3	-177	0	0	0	0	0	115.4	L521 G525	L521-G523 PolarHBondContact O-N 3.47Å; G523-G525 PolarHBondContact O-N 3.44Å
524	S	76.2	Confident	88.3	Confident	5 Å²	5	22 Å²	22	4%	0.035	13%	0.128	C	C	.	.	S	Bend	trans	-66	-12.5	176.2	55.5	0	0	0	0	114.9	L521 L522 R526 M702 R705	L521-S524 WeakPolarHBondContact O-CB 3.49Å; L521-S524 PolarHBondContact O-N 3.2Å; L521-S524 PolarHBondContact O-OG 2.98Å; L522-S524 VanDerWaalsContact C-N 3.29Å; L522-S524 PolarHBondContact O-N 3.17Å; S524-R526 WeakPolarHBondContact OG-CG 3.35Å; S524-M702 VanDerWaalsContact CB-O 3.24Å; S524-M702 WeakPolarHBondContact CB-O 3.44Å; S524-R705 WeakPolarHBondContact O-CA 3.39Å; S524-R705 PolarHBondContact O-N 3.33Å
525	G	86	Confident	88.4	Confident	1 Å²	1	22 Å²	22	1%	0.01	13%	0.129	C	C	.	.	S	Bend	trans	102.4	11.3	-179.3	0	0	0	0	0	115.2	G523 E528 T529	G523-G525 PolarHBondContact O-N 3.44Å; G525-E528 WeakPolarHBondContact CA-OE2 3.48Å; G525-T529 WeakPolarHBondContact O-CB 3.42Å; G525-T529 PolarHBondContact O-N 2.88Å; G525-T529 PolarHBondContact O-OG1 3.01Å
526	R	90.7	Very high	88.4	Confident	12 Å²	12	25.4 Å²	25.4	5%	0.045	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-58.9	-176.9	-62.6	174.3	-57.6	149.5	11.4	112.1	L518 G520 S524 E528 T529 A530 E655 I685 S686 M702	L518-R526 HydrophobicContact CD2-CB 3.99Å; L518-R526 HydrophobicContact CD2-CG 4.2Å; L518-R526 HydrophobicContact CG-CB 4.5Å; L518-R526 HydrophobicContact CG-CG 4.2Å; G520-R526 PolarHBondContact O-NE 2.86Å; G520-R526 VanDerWaalsContact O-NE 3.16Å; S524-R526 WeakPolarHBondContact OG-CG 3.35Å; R526-E528 VanDerWaalsContact C-N 3.29Å; R526-E528 PolarHBondContact O-N 2.87Å; R526-T529 VanDerWaalsContact O-CB 3.29Å; R526-T529 WeakPolarHBondContact O-CB 3.49Å; R526-T529 PolarHBondContact O-N 3.38Å; R526-A530 PolarHBondContact O-N 3.42Å; R526-A530 VanDerWaalsContact O-N 3.13Å; R526-E655 IonicContact CZ-OE1 3.62Å; R526-E655 IonicContact NH1-OE1 3.63Å; R526-E655 PolarHBondContact NH1-OE1 3.16Å; R526-E655 IonicContact NH2-OE1 3.25Å; R526-E655 PolarHBondContact NH2-OE1 3Å; R526-I685 HydrophobicContact CB-CD1 4.33Å; R526-I685 HydrophobicContact CB-CG2 3.56Å; R526-I685 HydrophobicContact CG-CG2 4.13Å; R526-I685 WeakPolarHBondContact O-CD1 3.47Å; R526-S686 PolarHBondContact NH1-O 2.75Å; R526-M702 HydrophobicContact CG-CB 4.14Å; R526-M702 HydrophobicContact CG-CG 4.21Å
527	T	89.2	Confident	88.3	Confident	34 Å²	34	28.5 Å²	28.5	21%	0.209	16%	0.16	C	C	.	.	H	α-helix	trans	-55.7	-45.7	175.7	-44.8	0	0	0	0	110.4	T529 A530 E531 E569 D654	T527-T529 VanDerWaalsContact C-N 3.28Å; T527-T529 PolarHBondContact O-N 2.88Å; T527-A530 PolarHBondContact O-N 3.3Å; T527-A530 VanDerWaalsContact O-N 3.16Å; T527-E531 WeakPolarHBondContact O-CG 3.47Å; T527-E531 PolarHBondContact O-N 2.85Å; T527-E569 PolarHBondContact OG1-OE2 2.84Å; T527-D654 WeakPolarHBondContact CG2-OD2 3.41Å
528	E	92.1	Very high	88.2	Confident	33 Å²	33	31 Å²	31	15%	0.154	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-34.7	177.3	-69.6	91.1	158.8	0	0	113.3	T502 G525 R526 V532 R705	T502-E528 HydrophobicContact CG2-CB 3.81Å; T502-E528 HydrophobicContact CG2-CG 3.92Å; G525-E528 WeakPolarHBondContact CA-OE2 3.48Å; R526-E528 VanDerWaalsContact C-N 3.29Å; R526-E528 PolarHBondContact O-N 2.87Å; E528-V532 WeakPolarHBondContact O-CB 3.49Å; E528-V532 VanDerWaalsContact O-CG2 3.22Å; E528-V532 WeakPolarHBondContact O-CG2 3.31Å; E528-V532 PolarHBondContact O-N 3.47Å; E528-R705 IonicContact OE1-NH2 3.04Å
529	T	96.8	Very high	88.2	Confident	4 Å²	4	32.2 Å²	32.2	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-47.2	175.1	-60.9	0	0	0	0	110.3	I503 F506 L518 G525 R526 T527 V532 I533	I503-T529 WeakPolarHBondContact CD1-OG1 3.33Å; F506-T529 HydrophobicContact CD1-CG2 4.34Å; F506-T529 HydrophobicContact CD2-CG2 4.49Å; F506-T529 HydrophobicContact CE1-CG2 3.87Å; F506-T529 HydrophobicContact CE2-CG2 4.03Å; F506-T529 HydrophobicContact CZ-CG2 3.71Å; L518-T529 HydrophobicContact CD2-CG2 4.22Å; G525-T529 WeakPolarHBondContact O-CB 3.42Å; G525-T529 PolarHBondContact O-N 2.88Å; G525-T529 PolarHBondContact O-OG1 3.01Å; R526-T529 VanDerWaalsContact O-CB 3.29Å; R526-T529 WeakPolarHBondContact O-CB 3.49Å; R526-T529 PolarHBondContact O-N 3.38Å; T527-T529 VanDerWaalsContact C-N 3.28Å; T527-T529 PolarHBondContact O-N 2.88Å; T529-V532 PolarHBondContact O-N 3.04Å; T529-I533 HydrophobicContact CG2-CD1 3.9Å; T529-I533 WeakPolarHBondContact O-CB 3.3Å; T529-I533 VanDerWaalsContact O-CG1 3.25Å; T529-I533 WeakPolarHBondContact O-CG1 3.49Å; T529-I533 PolarHBondContact O-N 3.34Å
530	A	96.8	Very high	88.6	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-44.3	175.8	0	0	0	0	0	112.7	R526 T527 V532 I533 F534 F566 I652 I685	R526-A530 PolarHBondContact O-N 3.42Å; R526-A530 VanDerWaalsContact O-N 3.13Å; T527-A530 PolarHBondContact O-N 3.3Å; T527-A530 VanDerWaalsContact O-N 3.16Å; A530-V532 VanDerWaalsContact C-N 3.32Å; A530-V532 PolarHBondContact O-N 3.45Å; A530-I533 PolarHBondContact O-N 3.25Å; A530-F534 WeakPolarHBondContact O-CB 3.46Å; A530-F534 PolarHBondContact O-N 3.31Å; A530-F566 HydrophobicContact CB-CD2 4.41Å; A530-F566 HydrophobicContact CB-CE2 3.71Å; A530-F566 HydrophobicContact CB-CZ 4.36Å; A530-I652 HydrophobicContact CB-CG2 3.7Å; A530-I685 HydrophobicContact CB-CD1 3.65Å
531	E	96	Very high	89.5	Confident	38 Å²	38	38.1 Å²	38.1	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-37.7	177.7	-72.2	178	135.7	0	0	112.9	T527 G535 I536 K537	T527-E531 WeakPolarHBondContact O-CG 3.47Å; T527-E531 PolarHBondContact O-N 2.85Å; E531-G535 PolarHBondContact O-N 3.27Å; E531-G535 VanDerWaalsContact O-N 3.1Å; E531-I536 HydrophobicContact CB-CB 4.07Å; E531-I536 HydrophobicContact CB-CG2 4.41Å; E531-I536 HydrophobicContact CG-CB 4.39Å; E531-I536 HydrophobicContact CG-CD1 4.17Å; E531-I536 HydrophobicContact CG-CG2 4.38Å; E531-I536 PolarHBondContact O-N 3.41Å; E531-K537 HydrophobicContact CB-CD 4.38Å; E531-K537 HydrophobicContact CB-CG 4.37Å; E531-K537 PolarHBondContact O-N 2.86Å; E531-K537 VanDerWaalsContact O-N 3.17Å; E531-K537 IonicContact OE1-NZ 2.59Å; E531-K537 VanDerWaalsContact OE2-CD 3.29Å; E531-K537 WeakPolarHBondContact OE2-CD 3.38Å; E531-K537 WeakPolarHBondContact OE2-CE 3.39Å; E531-K537 IonicContact OE2-NZ 2.71Å; E531-K537 PolarHBondContact OE2-NZ 3.37Å
532	V	96.7	Very high	90.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.3	-43.8	176.8	168.9	0	0	0	0	110.7	Y497 K499 T502 I503 E528 T529 A530 F534 G535 K537 A539	Y497-V532 HydrophobicContact CD1-CG1 3.87Å; Y497-V532 HydrophobicContact CE1-CG1 3.7Å; K499-V532 HydrophobicContact CB-CG2 3.97Å; K499-V532 HydrophobicContact CD-CG2 4.41Å; T502-V532 HydrophobicContact CG2-CG2 4.1Å; I503-V532 HydrophobicContact CG2-CB 4.32Å; I503-V532 HydrophobicContact CG2-CG1 4.4Å; I503-V532 HydrophobicContact CG2-CG2 3.88Å; E528-V532 WeakPolarHBondContact O-CB 3.49Å; E528-V532 VanDerWaalsContact O-CG2 3.22Å; E528-V532 WeakPolarHBondContact O-CG2 3.31Å; E528-V532 PolarHBondContact O-N 3.47Å; T529-V532 PolarHBondContact O-N 3.04Å; A530-V532 VanDerWaalsContact C-N 3.32Å; A530-V532 PolarHBondContact O-N 3.45Å; V532-F534 VanDerWaalsContact C-N 3.34Å; V532-F534 PolarHBondContact O-N 3.26Å; V532-G535 PolarHBondContact O-N 3.5Å; V532-K537 WeakPolarHBondContact CA-O 3.44Å; V532-K537 HydrophobicContact CG2-CB 3.96Å; V532-K537 WeakPolarHBondContact CG2-O 3.37Å; V532-A539 HydrophobicContact CG1-CB 4Å
533	I	97.1	Very high	92.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-44.8	174.7	-72.1	169.8	0	0	0	111.1	F494 F506 L508 T529 A530 G535 L553 F650 I652 L683	F494-I533 HydrophobicContact CD1-CG1 4.38Å; F494-I533 HydrophobicContact CE1-CB 4.37Å; F494-I533 HydrophobicContact CE1-CG1 4.14Å; F494-I533 HydrophobicContact CE1-CG2 3.94Å; F494-I533 HydrophobicContact CE2-CG1 4.49Å; F494-I533 HydrophobicContact CE2-CG2 4.12Å; F494-I533 HydrophobicContact CZ-CB 4.37Å; F494-I533 HydrophobicContact CZ-CG1 4.25Å; F494-I533 HydrophobicContact CZ-CG2 3.51Å; F506-I533 HydrophobicContact CE2-CD1 4.12Å; F506-I533 HydrophobicContact CE2-CG1 4.17Å; F506-I533 HydrophobicContact CZ-CD1 4.15Å; F506-I533 HydrophobicContact CZ-CG1 3.86Å; L508-I533 HydrophobicContact CD2-CD1 3.61Å; T529-I533 HydrophobicContact CG2-CD1 3.9Å; T529-I533 WeakPolarHBondContact O-CB 3.3Å; T529-I533 VanDerWaalsContact O-CG1 3.25Å; T529-I533 WeakPolarHBondContact O-CG1 3.49Å; T529-I533 PolarHBondContact O-N 3.34Å; A530-I533 PolarHBondContact O-N 3.25Å; I533-G535 PolarHBondContact O-N 2.65Å; I533-L553 VanDerWaalsContact O-CD1 3.28Å; I533-L553 WeakPolarHBondContact O-CD1 3.33Å; I533-F650 HydrophobicContact CG2-CE1 3.81Å; I533-I652 HydrophobicContact CB-CD1 4.09Å; I533-I652 HydrophobicContact CG2-CD1 3.38Å; I533-I652 HydrophobicContact CG2-CG1 4.46Å; I533-L683 HydrophobicContact CD1-CD2 3.78Å
534	F	97	Very high	93.7	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.022	18%	0.175	C	C	.	.	H	α-helix	trans	-79.1	-7.7	-177.7	-164	-123.8	0	0	0	113.5	A530 V532 I536 P556 A559 I564 F566 W643 I652	A530-F534 WeakPolarHBondContact O-CB 3.46Å; A530-F534 PolarHBondContact O-N 3.31Å; V532-F534 VanDerWaalsContact C-N 3.34Å; V532-F534 PolarHBondContact O-N 3.26Å; F534-I536 HydrophobicContact CD1-CD1 4Å; F534-I536 HydrophobicContact CD1-CG1 3.95Å; F534-P556 HydrophobicContact CD1-CB 4.07Å; F534-P556 HydrophobicContact CD1-CG 4.4Å; F534-P556 HydrophobicContact CE1-CB 3.59Å; F534-P556 HydrophobicContact CE1-CG 4.35Å; F534-P556 HydrophobicContact CZ-CB 4.19Å; F534-P556 WeakPolarHBondContact O-CA 3.49Å; F534-A559 HydrophobicContact CD2-CB 3.57Å; F534-A559 HydrophobicContact CE2-CB 3.67Å; F534-A559 HydrophobicContact CG-CB 4.32Å; F534-A559 HydrophobicContact CZ-CB 4.49Å; F534-A559 VanDerWaalsContact O-CB 3.23Å; F534-A559 WeakPolarHBondContact O-CB 3.09Å; F534-I564 HydrophobicContact CD2-CB 4.36Å; F534-I564 HydrophobicContact CD2-CG2 3.82Å; F534-I564 HydrophobicContact CE2-CB 4.41Å; F534-I564 HydrophobicContact CE2-CG2 4.24Å; F534-I564 WeakPolarHBondContact CE2-O 3.37Å; F534-F566 HydrophobicContact CB-CB 4.22Å; F534-F566 HydrophobicContact CB-CD1 4.45Å; F534-F566 HydrophobicContact CB-CG 4.26Å; F534-F566 HydrophobicContact CD1-CB 3.51Å; F534-F566 AromaticContact CD1-CD1 3.53Å; F534-F566 HydrophobicContact CD1-CD1 3.53Å; F534-F566 AromaticContact CD1-CG 3.8Å; F534-F566 HydrophobicContact CD1-CG 3.8Å; F534-F566 HydrophobicContact CD2-CB 3.62Å; F534-F566 HydrophobicContact CE1-CB 3.66Å; F534-F566 HydrophobicContact CE1-CD1 4.02Å; F534-F566 HydrophobicContact CE1-CG 4.28Å; F534-F566 HydrophobicContact CE2-CB 3.8Å; F534-F566 HydrophobicContact CG-CB 3.51Å; F534-F566 HydrophobicContact CG-CD1 4.12Å; F534-F566 AromaticContact CG-CG 3.94Å; F534-F566 HydrophobicContact CG-CG 3.94Å; F534-F566 HydrophobicContact CZ-CB 3.83Å; F534-W643 AromaticContact CE1-CH2 3.94Å; F534-W643 HydrophobicContact CE1-CH2 3.94Å; F534-W643 HydrophobicContact CE1-CZ2 4.35Å; F534-W643 HydrophobicContact CE2-CH2 4.43Å; F534-W643 HydrophobicContact CE2-CZ3 4.43Å; F534-W643 AromaticContact CZ-CH2 3.41Å; F534-W643 HydrophobicContact CZ-CH2 3.41Å; F534-W643 VanDerWaalsContact CZ-CH2 3.41Å; F534-W643 HydrophobicContact CZ-CZ2 4.12Å; F534-W643 AromaticContact CZ-CZ3 3.76Å; F534-W643 HydrophobicContact CZ-CZ3 3.76Å; F534-I652 HydrophobicContact CB-CD1 4.39Å
535	G	95.3	Very high	94.7	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.021	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	15.4	178.7	0	0	0	0	0	114.5	E531 V532 I533 K537 S555	E531-G535 PolarHBondContact O-N 3.27Å; E531-G535 VanDerWaalsContact O-N 3.1Å; V532-G535 PolarHBondContact O-N 3.5Å; I533-G535 PolarHBondContact O-N 2.65Å; G535-K537 VanDerWaalsContact C-N 3.3Å; G535-S555 WeakPolarHBondContact O-CA 3.39Å
536	I	94.9	Very high	95.2	Very high	73 Å²	73	32.9 Å²	32.9	37%	0.374	19%	0.192	S	C	.	.	S	Bend	trans	-62.1	-44.8	166.4	-65.5	171.2	0	0	0	108.8	E531 F534 P538 P556 F566	E531-I536 HydrophobicContact CB-CB 4.07Å; E531-I536 HydrophobicContact CB-CG2 4.41Å; E531-I536 HydrophobicContact CG-CB 4.39Å; E531-I536 HydrophobicContact CG-CD1 4.17Å; E531-I536 HydrophobicContact CG-CG2 4.38Å; E531-I536 PolarHBondContact O-N 3.41Å; F534-I536 HydrophobicContact CD1-CD1 4Å; F534-I536 HydrophobicContact CD1-CG1 3.95Å; I536-P538 WeakPolarHBondContact O-CD 3.42Å; I536-P556 HydrophobicContact CG1-CG 3.77Å; I536-F566 HydrophobicContact CD1-CD1 3.76Å; I536-F566 HydrophobicContact CD1-CE1 3.4Å; I536-F566 HydrophobicContact CD1-CZ 4.36Å
537	K	94.3	Very high	95.1	Very high	64 Å²	64	37.5 Å²	37.5	28%	0.278	21%	0.213	S	C	.	.	S	Bend	trans	-112.5	96.8	172.3	-69.6	-178.7	-176.7	159.3	0	108.6	K499 T502 E531 V532 G535 A539	K499-K537 HydrophobicContact CD-CB 3.87Å; T502-K537 HydrophobicContact CG2-CD 3.73Å; E531-K537 HydrophobicContact CB-CD 4.38Å; E531-K537 HydrophobicContact CB-CG 4.37Å; E531-K537 PolarHBondContact O-N 2.86Å; E531-K537 VanDerWaalsContact O-N 3.17Å; E531-K537 IonicContact OE1-NZ 2.59Å; E531-K537 VanDerWaalsContact OE2-CD 3.29Å; E531-K537 WeakPolarHBondContact OE2-CD 3.38Å; E531-K537 WeakPolarHBondContact OE2-CE 3.39Å; E531-K537 IonicContact OE2-NZ 2.71Å; E531-K537 PolarHBondContact OE2-NZ 3.37Å; V532-K537 WeakPolarHBondContact CA-O 3.44Å; V532-K537 HydrophobicContact CG2-CB 3.96Å; V532-K537 WeakPolarHBondContact CG2-O 3.37Å; G535-K537 VanDerWaalsContact C-N 3.3Å; K537-A539 PolarHBondContact O-N 2.85Å
538	P	94.1	Very high	95.2	Very high	52 Å²	52	38.6 Å²	38.6	34%	0.338	23%	0.231	S	C	.	.			trans	-55.9	132.4	-177.2	-26.3	33.8	0	0	0	112	K499 I536	K499-P538 WeakPolarHBondContact CD-O 3.28Å; K499-P538 PolarHBondContact NZ-O 2.81Å; K499-P538 VanDerWaalsContact NZ-O 3.09Å; I536-P538 WeakPolarHBondContact O-CD 3.42Å
539	A	95.2	Very high	95.4	Very high	31 Å²	31	43.7 Å²	43.7	26%	0.256	25%	0.252	S	S	.	.			trans	-65.7	149.8	176.6	0	0	0	0	0	112.2	Y497 G498 V532 K537	Y497-A539 HydrophobicContact CD1-CB 4.17Å; Y497-A539 HydrophobicContact CD2-CB 4.17Å; Y497-A539 HydrophobicContact CE1-CB 3.62Å; Y497-A539 HydrophobicContact CE2-CB 3.6Å; Y497-A539 HydrophobicContact CG-CB 4.43Å; Y497-A539 WeakPolarHBondContact OH-CB 3.37Å; G498-A539 CarbonylContact O-C 3.5Å; G498-A539 VanDerWaalsContact O-CA 3.24Å; G498-A539 WeakPolarHBondContact O-CA 3.29Å; G498-A539 VanDerWaalsContact O-CB 3.26Å; G498-A539 WeakPolarHBondContact O-CB 3.34Å; V532-A539 HydrophobicContact CG1-CB 4Å; K537-A539 PolarHBondContact O-N 2.85Å
540	D	94.6	Very high	95.3	Very high	101 Å²	101	48.5 Å²	48.5	54%	0.54	28%	0.284	S	S	.	.	S	Bend	trans	-115.3	-2.4	174	63.9	13.8	0	0	0	113.3	G498 K499 K500	G498-D540 PolarHBondContact O-N 2.87Å; K499-D540 VanDerWaalsContact CA-OD1 3.28Å; K499-D540 WeakPolarHBondContact CA-OD1 3.43Å; K500-D540 WeakPolarHBondContact CB-OD2 3.43Å; K500-D540 PolarHBondContact N-OD1 3.29Å; K500-D540 VanDerWaalsContact N-OD1 3.12Å; K500-D540 PolarHBondContact N-OD2 3.18Å
541	S	95.4	Very high	95.2	Very high	30 Å²	30	51.5 Å²	51.5	21%	0.21	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158.2	175.6	76.6	0	0	0	0	112.4	N496 Y497 G498	N496-S541 CarbonylContact O-C 3.59Å; N496-S541 PolarHBondContact O-OG 3.39Å; Y497-S541 WeakPolarHBondContact CD2-O 3.15Å; G498-S541 PolarHBondContact N-O 2.96Å; G498-S541 PolarHBondContact N-OG 3.38Å; G498-S541 PolarHBondContact O-N 3.08Å
542	G	95.6	Very high	95	Very high	39 Å²	39	53.2 Å²	53.2	40%	0.402	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.4	-171.7	167.7	0	0	0	0	0	115.9	K495 N496	K495-G542 CarbonylContact O-C 3.58Å; K495-G542 WeakPolarHBondContact O-CA 3.5Å; N496-G542 WeakPolarHBondContact O-CA 3.33Å; N496-G542 PolarHBondContact O-N 3.48Å
543	T	97.1	Very high	94.9	Very high	89 Å²	89	53.3 Å²	53.3	55%	0.546	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.7	-177.4	56.8	0	0	0	0	110.6	K495	K495-T543 PolarHBondContact N-O 3.38Å; K495-T543 PolarHBondContact O-N 2.98Å
544	V	97	Very high	94.7	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.03	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.9	176.9	59.5	0	0	0	0	110.8	A493 F494 Y497 I546 Q551 L553	A493-V544 CarbonylContact O-C 3.56Å; A493-V544 WeakPolarHBondContact O-CA 3.34Å; F494-V544 HydrophobicContact CD1-CB 4.02Å; F494-V544 HydrophobicContact CD1-CG2 3.65Å; F494-V544 HydrophobicContact CE1-CB 4.14Å; F494-V544 HydrophobicContact CE1-CG2 3.38Å; F494-V544 HydrophobicContact CG-CG2 4.43Å; F494-V544 HydrophobicContact CZ-CG2 3.95Å; Y497-V544 HydrophobicContact CE2-CB 4.25Å; Y497-V544 HydrophobicContact CE2-CG1 4.33Å; V544-I546 HydrophobicContact CG2-CD1 3.76Å; V544-I546 HydrophobicContact CG2-CG1 4.06Å; V544-Q551 HydrophobicContact CG1-CB 4.28Å; V544-Q551 WeakPolarHBondContact CG1-O 3.44Å; V544-Q551 PolarHBondContact O-N 3.09Å; V544-L553 HydrophobicContact CG1-CD1 4.33Å; V544-L553 HydrophobicContact CG1-CG 4.28Å; V544-L553 HydrophobicContact CG2-CD1 3.99Å
545	L	97	Very high	94.6	Very high	71 Å²	71	64 Å²	64	37%	0.372	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.3	170.1	-58.4	174	0	0	0	108.6	A492 A493 K549 P550	A492-L545 WeakPolarHBondContact CA-O 3.41Å; A493-L545 HydrophobicContact CB-CB 4.3Å; A493-L545 PolarHBondContact N-O 3.02Å; A493-L545 PolarHBondContact O-N 2.98Å; L545-K549 WeakPolarHBondContact CA-O 3.42Å; L545-P550 HydrophobicContact CD2-CB 4.19Å; L545-P550 HydrophobicContact CD2-CG 3.76Å
546	I	95.6	Very high	94.5	Very high	7 Å²	7	66.5 Å²	66.5	4%	0.036	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.4	170.7	-54	-61.1	0	0	0	107.6	V491 A492 F494 V544 G548 K549 Q551 L562 I564	V491-I546 WeakPolarHBondContact O-CA 3.49Å; A492-I546 HydrophobicContact CB-CD1 3.71Å; F494-I546 HydrophobicContact CZ-CD1 4.41Å; V544-I546 HydrophobicContact CG2-CD1 3.76Å; V544-I546 HydrophobicContact CG2-CG1 4.06Å; I546-G548 PolarHBondContact O-N 3.5Å; I546-K549 PolarHBondContact N-O 2.97Å; I546-K549 PolarHBondContact O-N 3.37Å; I546-Q551 HydrophobicContact CB-CG 3.83Å; I546-Q551 HydrophobicContact CG1-CB 4.2Å; I546-Q551 HydrophobicContact CG1-CG 3.95Å; I546-L562 HydrophobicContact CG2-CB 4.46Å; I546-I564 HydrophobicContact CD1-CD1 3.92Å; I546-I564 HydrophobicContact CG1-CD1 4.49Å
547	K	90	Very high	94.4	Very high	109 Å²	109	67.6 Å²	67.6	47%	0.474	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	40.1	-173.5	-58.9	166.3	-175.6	160.8	0	112.1	V491 K549 L562	V491-K547 PolarHBondContact O-N 3.2Å; K547-K549 PolarHBondContact O-N 2.91Å; K547-L562 PolarHBondContact NZ-O 3.39Å
548	G	91.2	Very high	94.4	Very high	57 Å²	57	67.6 Å²	67.6	59%	0.588	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	4.3	-177.9	0	0	0	0	0	115.7	I546	I546-G548 PolarHBondContact O-N 3.5Å
549	K	95.2	Very high	94.5	Very high	141 Å²	141	65.1 Å²	65.1	61%	0.613	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.9	178.4	-65.8	-177.1	-179.1	-179.4	0	110.6	L545 I546 K547 Q551	L545-K549 WeakPolarHBondContact CA-O 3.42Å; I546-K549 PolarHBondContact N-O 2.97Å; I546-K549 PolarHBondContact O-N 3.37Å; K547-K549 PolarHBondContact O-N 2.91Å; K549-Q551 PolarHBondContact O-N 3.3Å
550	P	96.2	Very high	94.5	Very high	105 Å²	105	64 Å²	64	68%	0.682	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.9	128	169.8	-23.9	33.5	0	0	0	111.4	L545	L545-P550 HydrophobicContact CD2-CB 4.19Å; L545-P550 HydrophobicContact CD2-CG 3.76Å
551	Q	95	Very high	94.4	Very high	62 Å²	62	63.2 Å²	63.2	29%	0.29	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	171.6	176.9	-64	-54.3	-37	0	0	110.9	V544 I546 K549 L562	V544-Q551 HydrophobicContact CG1-CB 4.28Å; V544-Q551 WeakPolarHBondContact CG1-O 3.44Å; V544-Q551 PolarHBondContact O-N 3.09Å; I546-Q551 HydrophobicContact CB-CG 3.83Å; I546-Q551 HydrophobicContact CG1-CB 4.2Å; I546-Q551 HydrophobicContact CG1-CG 3.95Å; K549-Q551 PolarHBondContact O-N 3.3Å; Q551-L562 HydrophobicContact CB-CD1 4.02Å; Q551-L562 HydrophobicContact CG-CD1 3.97Å; Q551-L562 HydrophobicContact CG-CD2 4.02Å
552	T	91.6	Very high	94.4	Very high	75 Å²	75	63.4 Å²	63.4	46%	0.46	35%	0.349	S	S	.	.			trans	-127.1	134.8	166.5	-47.8	0	0	0	0	107.1	R554 Q558	T552-R554 HydrophobicContact CG2-CG 3.85Å; T552-Q558 PolarHBondContact O-NE2 3.2Å; T552-Q558 PolarHBondContact O-OE1 3.07Å; T552-Q558 VanDerWaalsContact O-OE1 3.07Å
553	L	93.4	Very high	94.4	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	33%	0.333	C	S	.	.			trans	-115.6	95.9	179.4	-62.7	172.4	0	0	0	108.7	F494 I533 V544 A559 L562 I564	F494-L553 HydrophobicContact CE1-CD1 3.98Å; F494-L553 HydrophobicContact CZ-CD1 4.46Å; I533-L553 VanDerWaalsContact O-CD1 3.28Å; I533-L553 WeakPolarHBondContact O-CD1 3.33Å; V544-L553 HydrophobicContact CG1-CD1 4.33Å; V544-L553 HydrophobicContact CG1-CG 4.28Å; V544-L553 HydrophobicContact CG2-CD1 3.99Å; L553-A559 HydrophobicContact CD2-CB 4.1Å; L553-L562 HydrophobicContact CD2-CD1 3.51Å; L553-I564 HydrophobicContact CD1-CD1 3.8Å; L553-I564 HydrophobicContact CD2-CD1 4.1Å
554	R	92.5	Very high	94.4	Very high	187 Å²	187	57.6 Å²	57.6	71%	0.706	31%	0.307	S	S	*	.			trans	-110.7	-3.5	-179.2	-68.2	-173.9	177.4	168.2	0.3	114.1	T552	T552-R554 HydrophobicContact CG2-CG 3.85Å
555	S	95	Very high	94.4	Very high	42 Å²	42	57.4 Å²	57.4	29%	0.294	31%	0.306	S	S	.	.	S	Bend	trans	-157.9	154.3	178.6	64.1	0	0	0	0	112.1	G535 H557 Q558 A559	G535-S555 WeakPolarHBondContact O-CA 3.39Å; S555-H557 VanDerWaalsContact C-N 3.26Å; S555-H557 PolarHBondContact O-N 3.24Å; S555-Q558 WeakPolarHBondContact O-CB 3.36Å; S555-Q558 PolarHBondContact O-N 3.11Å; S555-Q558 VanDerWaalsContact O-N 3.11Å; S555-Q558 WeakPolarHBondContact OG-CB 3.45Å; S555-Q558 PolarHBondContact OG-N 2.79Å; S555-A559 PolarHBondContact O-N 3.4Å; S555-A559 VanDerWaalsContact O-N 3.09Å
556	P	94.4	Very high	94.4	Very high	54 Å²	54	54.5 Å²	54.5	35%	0.351	29%	0.29	S	S	.	.	H	α-helix	trans	-54.4	-39	171.7	-31.1	39.5	0	0	0	113.8	F534 I536 Q558 A559 S560	F534-P556 HydrophobicContact CD1-CB 4.07Å; F534-P556 HydrophobicContact CD1-CG 4.4Å; F534-P556 HydrophobicContact CE1-CB 3.59Å; F534-P556 HydrophobicContact CE1-CG 4.35Å; F534-P556 HydrophobicContact CZ-CB 4.19Å; F534-P556 WeakPolarHBondContact O-CA 3.49Å; I536-P556 HydrophobicContact CG1-CG 3.77Å; P556-Q558 PolarHBondContact O-N 3.47Å; P556-A559 PolarHBondContact O-N 3.32Å; P556-S560 WeakPolarHBondContact O-CB 3.44Å; P556-S560 PolarHBondContact O-N 2.94Å
557	H	93.1	Very high	94.4	Very high	97 Å²	97	54.1 Å²	54.1	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-61.3	-44.6	177.2	174.6	-88.4	0	0	0	111.5	S555 S560 V561 A592	S555-H557 VanDerWaalsContact C-N 3.26Å; S555-H557 PolarHBondContact O-N 3.24Å; H557-S560 WeakPolarHBondContact O-CB 3.18Å; H557-S560 PolarHBondContact O-N 3.44Å; H557-V561 WeakPolarHBondContact O-CG2 3.32Å; H557-V561 PolarHBondContact O-N 3Å; H557-A592 PolarHBondContact CD2-O 3.26Å; H557-A592 PolarHBondContact NE2-O 2.99Å
558	Q	94.1	Very high	94.5	Very high	64 Å²	64	49.6 Å²	49.6	30%	0.299	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-43	178.5	-175	174.1	26	0	0	111.9	T552 S555 P556 S560 V561 L562	T552-Q558 PolarHBondContact O-NE2 3.2Å; T552-Q558 PolarHBondContact O-OE1 3.07Å; T552-Q558 VanDerWaalsContact O-OE1 3.07Å; S555-Q558 WeakPolarHBondContact O-CB 3.36Å; S555-Q558 PolarHBondContact O-N 3.11Å; S555-Q558 VanDerWaalsContact O-N 3.11Å; S555-Q558 WeakPolarHBondContact OG-CB 3.45Å; S555-Q558 PolarHBondContact OG-N 2.79Å; P556-Q558 PolarHBondContact O-N 3.47Å; Q558-S560 VanDerWaalsContact C-N 3.34Å; Q558-S560 PolarHBondContact O-N 2.73Å; Q558-V561 PolarHBondContact O-N 3.34Å; Q558-L562 HydrophobicContact CG-CD1 4.1Å; Q558-L562 WeakPolarHBondContact O-CG 3.45Å; Q558-L562 PolarHBondContact O-N 2.76Å; Q558-L562 VanDerWaalsContact O-N 3.08Å
559	A	95.5	Very high	94.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.6	-46.2	175.1	0	0	0	0	0	111.3	F534 L553 S555 P556 V561 L562 G563 I564	F534-A559 HydrophobicContact CD2-CB 3.57Å; F534-A559 HydrophobicContact CE2-CB 3.67Å; F534-A559 HydrophobicContact CG-CB 4.32Å; F534-A559 HydrophobicContact CZ-CB 4.49Å; F534-A559 VanDerWaalsContact O-CB 3.23Å; F534-A559 WeakPolarHBondContact O-CB 3.09Å; L553-A559 HydrophobicContact CD2-CB 4.1Å; S555-A559 PolarHBondContact O-N 3.4Å; S555-A559 VanDerWaalsContact O-N 3.09Å; P556-A559 PolarHBondContact O-N 3.32Å; A559-V561 PolarHBondContact O-N 3.42Å; A559-L562 PolarHBondContact O-N 2.91Å; A559-G563 PolarHBondContact O-N 2.93Å; A559-I564 HydrophobicContact CB-CB 4.15Å; A559-I564 HydrophobicContact CB-CD1 4.22Å; A559-I564 WeakPolarHBondContact O-CB 3.28Å; A559-I564 PolarHBondContact O-N 3.42Å
560	S	94.6	Very high	93.6	Very high	6 Å²	6	45 Å²	45	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-56.5	-50.3	175.3	-180	0	0	0	0	112.7	P556 H557 Q558 L562 G563 I564 Q593	P556-S560 WeakPolarHBondContact O-CB 3.44Å; P556-S560 PolarHBondContact O-N 2.94Å; H557-S560 WeakPolarHBondContact O-CB 3.18Å; H557-S560 PolarHBondContact O-N 3.44Å; Q558-S560 VanDerWaalsContact C-N 3.34Å; Q558-S560 PolarHBondContact O-N 2.73Å; S560-L562 PolarHBondContact O-N 3.12Å; S560-G563 PolarHBondContact O-N 3.13Å; S560-I564 VanDerWaalsContact CA-O 3.31Å; S560-I564 WeakPolarHBondContact CA-O 3.23Å; S560-Q593 VanDerWaalsContact C-NE2 3.3Å; S560-Q593 PolarHBondContact O-NE2 2.52Å; S560-Q593 WeakPolarHBondContact OG-CG 3.39Å; S560-Q593 PolarHBondContact OG-NE2 3.31Å
561	V	93.8	Very high	93	Very high	85 Å²	85	41.3 Å²	41.3	52%	0.515	21%	0.21	S	C	.	.	H	α-helix	trans	-62.2	-32	178.8	170.6	0	0	0	0	112.3	H557 Q558 A559 G563 Q593	H557-V561 WeakPolarHBondContact O-CG2 3.32Å; H557-V561 PolarHBondContact O-N 3Å; Q558-V561 PolarHBondContact O-N 3.34Å; A559-V561 PolarHBondContact O-N 3.42Å; V561-G563 PolarHBondContact O-N 3.02Å; V561-Q593 HydrophobicContact CG2-CG 4.21Å
562	L	95	Very high	92.1	Very high	34 Å²	34	45 Å²	45	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-76.6	-7.4	176.3	-71	169.2	0	0	0	113.4	I546 K547 Q551 L553 Q558 A559 S560	I546-L562 HydrophobicContact CG2-CB 4.46Å; K547-L562 PolarHBondContact NZ-O 3.39Å; Q551-L562 HydrophobicContact CB-CD1 4.02Å; Q551-L562 HydrophobicContact CG-CD1 3.97Å; Q551-L562 HydrophobicContact CG-CD2 4.02Å; L553-L562 HydrophobicContact CD2-CD1 3.51Å; Q558-L562 HydrophobicContact CG-CD1 4.1Å; Q558-L562 WeakPolarHBondContact O-CG 3.45Å; Q558-L562 PolarHBondContact O-N 2.76Å; Q558-L562 VanDerWaalsContact O-N 3.08Å; A559-L562 PolarHBondContact O-N 2.91Å; S560-L562 PolarHBondContact O-N 3.12Å
563	G	94.7	Very high	91.5	Very high	6 Å²	6	45.8 Å²	45.8	6%	0.062	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	29	177.2	0	0	0	0	0	114.1	A559 S560 V561 P648 Q649 F650	A559-G563 PolarHBondContact O-N 2.93Å; S560-G563 PolarHBondContact O-N 3.13Å; V561-G563 PolarHBondContact O-N 3.02Å; G563-P648 CarbonylContact O-C 3.59Å; G563-P648 WeakPolarHBondContact O-CA 3.3Å; G563-Q649 PolarHBondContact O-N 3.48Å; G563-F650 PolarHBondContact O-N 3.14Å; G563-F650 VanDerWaalsContact O-N 3.13Å
564	I	97.3	Very high	91.1	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.1	172.4	-49	177.5	0	0	0	108.6	F534 I546 L553 A559 S560 F650 I652	F534-I564 HydrophobicContact CD2-CB 4.36Å; F534-I564 HydrophobicContact CD2-CG2 3.82Å; F534-I564 HydrophobicContact CE2-CB 4.41Å; F534-I564 HydrophobicContact CE2-CG2 4.24Å; F534-I564 WeakPolarHBondContact CE2-O 3.37Å; I546-I564 HydrophobicContact CD1-CD1 3.92Å; I546-I564 HydrophobicContact CG1-CD1 4.49Å; L553-I564 HydrophobicContact CD1-CD1 3.8Å; L553-I564 HydrophobicContact CD2-CD1 4.1Å; A559-I564 HydrophobicContact CB-CB 4.15Å; A559-I564 HydrophobicContact CB-CD1 4.22Å; A559-I564 WeakPolarHBondContact O-CB 3.28Å; A559-I564 PolarHBondContact O-N 3.42Å; S560-I564 VanDerWaalsContact CA-O 3.31Å; S560-I564 WeakPolarHBondContact CA-O 3.23Å; I564-F650 CarbonylContact C-O 3.56Å; I564-F650 WeakPolarHBondContact CA-O 3.39Å; I564-F650 HydrophobicContact CD1-CD1 4.44Å; I564-F650 HydrophobicContact CG1-CD1 4.21Å; I564-F650 HydrophobicContact CG2-CD1 3.81Å; I564-F650 HydrophobicContact CG2-CE1 4.36Å; I564-I652 HydrophobicContact CG2-CD1 4.01Å
565	G	97	Very high	90.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	157.6	169.1	0	0	0	0	0	111.6	F650 I652	G565-F650 PolarHBondContact N-O 3.36Å; G565-I652 PolarHBondContact O-N 2.85Å
566	F	96.9	Very high	90.8	Very high	10 Å²	10	41.3 Å²	41.3	4%	0.044	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	115.1	-179.2	174.4	-123.9	0	0	0	113	A530 F534 I536 P568 W643 I652 D654	A530-F566 HydrophobicContact CB-CD2 4.41Å; A530-F566 HydrophobicContact CB-CE2 3.71Å; A530-F566 HydrophobicContact CB-CZ 4.36Å; F534-F566 HydrophobicContact CB-CB 4.22Å; F534-F566 HydrophobicContact CB-CD1 4.45Å; F534-F566 HydrophobicContact CB-CG 4.26Å; F534-F566 HydrophobicContact CD1-CB 3.51Å; F534-F566 AromaticContact CD1-CD1 3.53Å; F534-F566 HydrophobicContact CD1-CD1 3.53Å; F534-F566 AromaticContact CD1-CG 3.8Å; F534-F566 HydrophobicContact CD1-CG 3.8Å; F534-F566 HydrophobicContact CD2-CB 3.62Å; F534-F566 HydrophobicContact CE1-CB 3.66Å; F534-F566 HydrophobicContact CE1-CD1 4.02Å; F534-F566 HydrophobicContact CE1-CG 4.28Å; F534-F566 HydrophobicContact CE2-CB 3.8Å; F534-F566 HydrophobicContact CG-CB 3.51Å; F534-F566 HydrophobicContact CG-CD1 4.12Å; F534-F566 AromaticContact CG-CG 3.94Å; F534-F566 HydrophobicContact CG-CG 3.94Å; F534-F566 HydrophobicContact CZ-CB 3.83Å; I536-F566 HydrophobicContact CD1-CD1 3.76Å; I536-F566 HydrophobicContact CD1-CE1 3.4Å; I536-F566 HydrophobicContact CD1-CZ 4.36Å; F566-P568 HydrophobicContact CE1-CB 3.85Å; F566-P568 HydrophobicContact CZ-CB 3.91Å; F566-W643 WeakPolarHBondContact O-CZ2 3.13Å; F566-W643 PolarHBondContact O-NE1 2.87Å; F566-I652 WeakPolarHBondContact CA-O 3.36Å; F566-I652 HydrophobicContact CD2-CB 3.88Å; F566-I652 HydrophobicContact CD2-CG2 3.76Å; F566-I652 HydrophobicContact CE2-CG2 4.11Å; F566-D654 HydrophobicContact CE2-CB 4.01Å
567	C	95.8	Very high	90.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114	168.6	-60.3	0	0	0	0	109	L639 W643 I652 L653 D654	C567-L639 HydrophobicContact CB-CD2 4.23Å; C567-L639 HydrophobicContact CB-CG 4.42Å; C567-W643 VanDerWaalsContact SG-CD1 3.56Å; C567-I652 PolarHBondContact N-O 3.35Å; C567-L653 HydrophobicContact CB-CD2 3.83Å; C567-D654 VanDerWaalsContact O-CB 3.31Å; C567-D654 WeakPolarHBondContact O-CB 3.4Å; C567-D654 PolarHBondContact O-N 2.87Å
568	P	92.5	Very high	90.6	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.084	22%	0.216	C	C	.	.			trans	-73.9	161.7	180	29.7	-38	0	0	0	113.7	F566 D574 D654	F566-P568 HydrophobicContact CE1-CB 3.85Å; F566-P568 HydrophobicContact CZ-CB 3.91Å; P568-D574 HydrophobicContact CB-CB 4.03Å; P568-D574 HydrophobicContact CG-CB 4.01Å; P568-D654 CarbonylContact C-O 3.39Å
569	E	85.2	Confident	90.5	Very high	36 Å²	36	40.8 Å²	40.8	17%	0.168	23%	0.233	C	C	.	.	S	Bend	trans	-60.6	-51.4	177	174.3	-179.5	179.4	0	0	112.8	T527 R571 D654 E655 R658	T527-E569 PolarHBondContact OG1-OE2 2.84Å; E569-R571 PolarHBondContact O-N 3.3Å; E569-D654 WeakPolarHBondContact CA-O 3.29Å; E569-D654 HydrophobicContact CB-CB 4.35Å; E569-D654 PolarHBondContact N-O 3.5Å; E569-E655 HydrophobicContact CB-CB 4.45Å; E569-E655 HydrophobicContact CB-CG 4.49Å; E569-E655 HydrophobicContact CG-CB 4.11Å; E569-E655 HydrophobicContact CG-CG 3.99Å; E569-R658 VanDerWaalsContact CD-NH1 3.3Å; E569-R658 IonicContact OE1-CZ 3.21Å; E569-R658 IonicContact OE1-NH1 3.26Å; E569-R658 PolarHBondContact OE1-NH1 3.45Å; E569-R658 IonicContact OE1-NH2 3.22Å
570	D	82.8	Confident	90.5	Very high	65 Å²	65	41.5 Å²	41.5	35%	0.348	24%	0.239	S	C	.	.			trans	-93.5	93.4	174.3	-167.9	-25.5	0	0	0	110.7	K572 T573 D574 G575	D570-K572 PolarHBondContact O-N 2.87Å; D570-K572 WeakPolarHBondContact OD1-CA 3.4Å; D570-K572 WeakPolarHBondContact OD1-CB 3.3Å; D570-K572 PolarHBondContact OD1-N 2.8Å; D570-T573 WeakPolarHBondContact CB-OG1 3.27Å; D570-T573 PolarHBondContact OD1-N 2.78Å; D570-T573 VanDerWaalsContact OD1-N 3.1Å; D570-T573 PolarHBondContact OD1-OG1 2.99Å; D570-T573 PolarHBondContact OD2-OG1 3.41Å; D570-D574 PolarHBondContact O-N 3.42Å; D570-G575 PolarHBondContact O-N 3.47Å
571	R	83.8	Confident	90.6	Very high	29 Å²	29	41.5 Å²	41.5	11%	0.109	24%	0.239	C	C	.	.	I	π-helix	trans	-62.6	-26.1	177	67.4	-179.3	173.2	-84.9	1.6	113.7	E569 G575 I576 L639 R658 G659	E569-R571 PolarHBondContact O-N 3.3Å; R571-G575 CarbonylContact O-C 3.55Å; R571-G575 VanDerWaalsContact O-CA 3.3Å; R571-G575 WeakPolarHBondContact O-CA 3.41Å; R571-G575 PolarHBondContact O-N 2.86Å; R571-I576 WeakPolarHBondContact O-CG1 3.19Å; R571-I576 PolarHBondContact O-N 3.29Å; R571-L639 HydrophobicContact CB-CD2 4.27Å; R571-R658 PolarHBondContact NH1-O 3.18Å; R571-G659 PolarHBondContact NH2-O 2.83Å
572	K	75.9	Confident	90.8	Very high	138 Å²	138	37.4 Å²	37.4	60%	0.6	21%	0.214	S	C	*	.	I	π-helix	trans	-80.1	-39.9	-175.7	-71.1	-176.4	-179.9	176.7	0	111.1	D570	D570-K572 PolarHBondContact O-N 2.87Å; D570-K572 WeakPolarHBondContact OD1-CA 3.4Å; D570-K572 WeakPolarHBondContact OD1-CB 3.3Å; D570-K572 PolarHBondContact OD1-N 2.8Å
573	T	78.7	Confident	91	Very high	92 Å²	92	36.4 Å²	36.4	56%	0.564	21%	0.208	S	C	*	.	I	π-helix	trans	-87.1	-44.4	-179.6	55.9	0	0	0	0	112.3	D570	D570-T573 WeakPolarHBondContact CB-OG1 3.27Å; D570-T573 PolarHBondContact OD1-N 2.78Å; D570-T573 VanDerWaalsContact OD1-N 3.1Å; D570-T573 PolarHBondContact OD1-OG1 2.99Å; D570-T573 PolarHBondContact OD2-OG1 3.41Å
574	D	84.9	Confident	91.1	Very high	120 Å²	120	39.9 Å²	39.9	64%	0.642	22%	0.223	S	C	*	.	I	π-helix	trans	-112.5	-15.2	-167.7	-59	-51.2	0	0	0	113.4	P568 D570	P568-D574 HydrophobicContact CB-CB 4.03Å; P568-D574 HydrophobicContact CG-CB 4.01Å; D570-D574 PolarHBondContact O-N 3.42Å
575	G	88.7	Confident	91.1	Very high	5 Å²	5	39.9 Å²	39.9	5%	0.052	22%	0.223	C	C	.	.	I	π-helix	trans	-93.9	-69.5	-177.5	0	0	0	0	0	114.1	D570 R571 R642	D570-G575 PolarHBondContact O-N 3.47Å; R571-G575 CarbonylContact O-C 3.55Å; R571-G575 VanDerWaalsContact O-CA 3.3Å; R571-G575 WeakPolarHBondContact O-CA 3.41Å; R571-G575 PolarHBondContact O-N 2.86Å; G575-R642 VanDerWaalsContact O-CZ 3.27Å; G575-R642 PolarHBondContact O-NH1 2.98Å; G575-R642 PolarHBondContact O-NH2 3.3Å
576	I	91.1	Very high	91.2	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.067	22%	0.223	C	C	.	.			trans	-96.1	154.1	-168.7	74.3	-173.7	0	0	0	111.9	R571 I627 Q635	R571-I576 WeakPolarHBondContact O-CG1 3.19Å; R571-I576 PolarHBondContact O-N 3.29Å; I576-I627 HydrophobicContact CB-CD1 4.1Å; I576-I627 HydrophobicContact CB-CG2 4.17Å; I576-I627 HydrophobicContact CD1-CG1 4.43Å; I576-I627 HydrophobicContact CD1-CG2 4.08Å; I576-I627 HydrophobicContact CG1-CG2 4.29Å; I576-I627 HydrophobicContact CG2-CD1 3.79Å; I576-Q635 HydrophobicContact CD1-CG 4.29Å
577	I	94.6	Very high	91.2	Very high	87 Å²	87	40 Å²	40	45%	0.446	22%	0.223	S	C	.	.			trans	-96.7	97	163.3	-56.6	177	0	0	0	106.2	A579 A580 N585 L588 I627	I577-A579 PolarHBondContact O-N 2.84Å; I577-A580 HydrophobicContact CB-CB 3.85Å; I577-A580 HydrophobicContact CG2-CB 3.66Å; I577-A580 WeakPolarHBondContact O-CB 3.09Å; I577-A580 PolarHBondContact O-N 2.63Å; I577-N585 PolarHBondContact N-OD1 3.02Å; I577-N585 PolarHBondContact O-ND2 2.8Å; I577-N585 VanDerWaalsContact O-ND2 3.11Å; I577-L588 HydrophobicContact CD1-CD2 3.74Å; I577-L588 HydrophobicContact CG1-CD2 4.42Å; I577-I627 WeakPolarHBondContact O-CG2 3.48Å
578	A	89.1	Confident	91.2	Very high	38 Å²	38	43.2 Å²	43.2	31%	0.314	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-49.6	-169.4	0	0	0	0	0	114.2	A580 I627 E628	A578-A580 VanDerWaalsContact C-N 3.29Å; A578-A580 PolarHBondContact O-N 2.82Å; A578-I627 WeakPolarHBondContact O-CG2 3.5Å; A578-I627 PolarHBondContact O-N 2.93Å; A578-E628 HydrophobicContact CB-CB 4.01Å; A578-E628 WeakPolarHBondContact O-CB 3.23Å; A578-E628 PolarHBondContact O-N 2.97Å; A578-E628 VanDerWaalsContact O-N 3.1Å
579	A	91.8	Very high	91.2	Very high	78 Å²	78	42.9 Å²	42.9	65%	0.645	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-13.3	-179	0	0	0	0	0	114	I577	I577-A579 PolarHBondContact O-N 2.84Å
580	A	96.5	Very high	91.7	Very high	16 Å²	16	42.7 Å²	42.7	13%	0.132	24%	0.239	C	C	.	.	S	Bend	trans	-83.3	155.2	179.7	0	0	0	0	0	111.2	I577 A578 E584 N585 I627	I577-A580 HydrophobicContact CB-CB 3.85Å; I577-A580 HydrophobicContact CG2-CB 3.66Å; I577-A580 WeakPolarHBondContact O-CB 3.09Å; I577-A580 PolarHBondContact O-N 2.63Å; A578-A580 VanDerWaalsContact C-N 3.29Å; A578-A580 PolarHBondContact O-N 2.82Å; A580-E584 HydrophobicContact CB-CB 4.06Å; A580-N585 PolarHBondContact O-ND2 2.75Å; A580-I627 PolarHBondContact O-N 3.07Å
581	S	97.7	Very high	92.3	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.035	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-65.1	161.6	179.4	60.3	0	0	0	0	112.8	R583 E584 N585 Q625	S581-R583 VanDerWaalsContact C-N 3.28Å; S581-R583 PolarHBondContact O-N 2.79Å; S581-E584 WeakPolarHBondContact CB-OE2 3.08Å; S581-E584 PolarHBondContact N-OE2 2.99Å; S581-E584 PolarHBondContact O-N 3.21Å; S581-E584 WeakPolarHBondContact OG-CB 3.37Å; S581-E584 VanDerWaalsContact OG-CG 3.24Å; S581-E584 WeakPolarHBondContact OG-CG 3.43Å; S581-E584 PolarHBondContact OG-N 3.47Å; S581-E584 VanDerWaalsContact OG-N 3.09Å; S581-E584 PolarHBondContact OG-OE2 3.01Å; S581-N585 PolarHBondContact O-N 3.37Å; S581-N585 PolarHBondContact O-ND2 3.17Å; S581-Q625 CarbonylContact C-O 3.41Å; S581-Q625 WeakPolarHBondContact CA-O 3.46Å
582	V	97.4	Very high	92.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-52.7	-48.3	167.6	172.5	0	0	0	0	110.4	E584 N585 I586 I613 T623 Q625 L630 V638	V582-E584 PolarHBondContact O-N 3.32Å; V582-N585 PolarHBondContact O-N 2.71Å; V582-I586 HydrophobicContact CG1-CD1 3.83Å; V582-I586 HydrophobicContact CG1-CG1 4.32Å; V582-I586 VanDerWaalsContact O-CG1 3.27Å; V582-I586 WeakPolarHBondContact O-CG1 3.22Å; V582-I586 PolarHBondContact O-N 2.94Å; V582-I613 HydrophobicContact CG1-CD1 4.23Å; V582-I613 HydrophobicContact CG1-CG1 4.43Å; V582-T623 PolarHBondContact N-O 3.34Å; V582-Q625 PolarHBondContact N-O 3.25Å; V582-L630 HydrophobicContact CG2-CD1 4.09Å; V582-L630 HydrophobicContact CG2-CD2 3.55Å; V582-L630 HydrophobicContact CG2-CG 4.5Å; V582-V638 HydrophobicContact CG1-CG1 4.45Å; V582-V638 HydrophobicContact CG1-CG2 3.81Å; V582-V638 HydrophobicContact CG2-CG2 4.47Å
583	R	98.1	Very high	93.4	Very high	13 Å²	13	38.5 Å²	38.5	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-51.9	-52.4	176.4	177.1	-176.9	54.5	63.2	13.8	111.9	S581 N585 I586 I587 Q605 A609 T623 E624	S581-R583 VanDerWaalsContact C-N 3.28Å; S581-R583 PolarHBondContact O-N 2.79Å; R583-N585 VanDerWaalsContact C-N 3.34Å; R583-N585 PolarHBondContact O-N 3.39Å; R583-I586 PolarHBondContact O-N 3.23Å; R583-I587 VanDerWaalsContact O-CG1 3.26Å; R583-I587 WeakPolarHBondContact O-CG1 3.35Å; R583-I587 WeakPolarHBondContact O-CG2 3.35Å; R583-I587 PolarHBondContact O-N 3.21Å; R583-Q605 HydrophobicContact CG-CB 3.99Å; R583-A609 HydrophobicContact CB-CB 4.19Å; R583-A609 HydrophobicContact CG-CB 4.26Å; R583-T623 WeakPolarHBondContact CB-O 3.45Å; R583-T623 PolarHBondContact N-O 2.91Å; R583-E624 IonicContact CZ-OE1 3.21Å; R583-E624 IonicContact CZ-OE2 3.98Å; R583-E624 IonicContact NE-OE1 3.02Å; R583-E624 PolarHBondContact NE-OE1 3.41Å; R583-E624 IonicContact NE-OE2 2.8Å; R583-E624 PolarHBondContact NE-OE2 3.46Å; R583-E624 IonicContact NH2-OE1 3.35Å; R583-E624 PolarHBondContact NH2-OE1 3.4Å; R583-E624 IonicContact NH2-OE2 3.42Å; R583-E624 PolarHBondContact NH2-OE2 2.93Å
584	E	97.9	Very high	94.1	Very high	79 Å²	79	38.1 Å²	38.1	37%	0.369	22%	0.218	S	C	.	.	H	α-helix	trans	-62.8	-41.6	-178.2	-77.8	153.9	174.4	0	0	112	A580 S581 V582 I586 I587 L588	A580-E584 HydrophobicContact CB-CB 4.06Å; S581-E584 WeakPolarHBondContact CB-OE2 3.08Å; S581-E584 PolarHBondContact N-OE2 2.99Å; S581-E584 PolarHBondContact O-N 3.21Å; S581-E584 WeakPolarHBondContact OG-CB 3.37Å; S581-E584 VanDerWaalsContact OG-CG 3.24Å; S581-E584 WeakPolarHBondContact OG-CG 3.43Å; S581-E584 PolarHBondContact OG-N 3.47Å; S581-E584 VanDerWaalsContact OG-N 3.09Å; S581-E584 PolarHBondContact OG-OE2 3.01Å; V582-E584 PolarHBondContact O-N 3.32Å; E584-I586 VanDerWaalsContact C-N 3.35Å; E584-I586 PolarHBondContact O-N 3.17Å; E584-I587 PolarHBondContact O-N 3.35Å; E584-L588 WeakPolarHBondContact O-CB 3.3Å; E584-L588 PolarHBondContact O-N 2.93Å
585	N	97.9	Very high	94.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-39.1	176.2	-84.5	-83	0	0	0	112.2	I577 A580 S581 V582 R583 I627 V638 R642	I577-N585 PolarHBondContact N-OD1 3.02Å; I577-N585 PolarHBondContact O-ND2 2.8Å; I577-N585 VanDerWaalsContact O-ND2 3.11Å; A580-N585 PolarHBondContact O-ND2 2.75Å; S581-N585 PolarHBondContact O-N 3.37Å; S581-N585 PolarHBondContact O-ND2 3.17Å; V582-N585 PolarHBondContact O-N 2.71Å; R583-N585 VanDerWaalsContact C-N 3.34Å; R583-N585 PolarHBondContact O-N 3.39Å; N585-I627 HydrophobicContact CB-CD1 3.91Å; N585-I627 VanDerWaalsContact ND2-CG2 3.33Å; N585-I627 WeakPolarHBondContact ND2-CG2 3.28Å; N585-V638 HydrophobicContact CB-CG1 3.72Å; N585-R642 WeakPolarHBondContact O-CB 3.32Å; N585-R642 WeakPolarHBondContact O-CG 3.28Å; N585-R642 PolarHBondContact O-NE 3.15Å; N585-R642 PolarHBondContact OD1-NH2 3.19Å
586	I	97.7	Very high	94.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-47.2	178	-64.4	-179.8	0	0	0	111.2	V582 R583 E584 L588 I608 A609 F612 V638 S641 R642 L645	V582-I586 HydrophobicContact CG1-CD1 3.83Å; V582-I586 HydrophobicContact CG1-CG1 4.32Å; V582-I586 VanDerWaalsContact O-CG1 3.27Å; V582-I586 WeakPolarHBondContact O-CG1 3.22Å; V582-I586 PolarHBondContact O-N 2.94Å; R583-I586 PolarHBondContact O-N 3.23Å; E584-I586 VanDerWaalsContact C-N 3.35Å; E584-I586 PolarHBondContact O-N 3.17Å; I586-L588 VanDerWaalsContact C-N 3.3Å; I586-L588 PolarHBondContact O-N 3.12Å; I586-I608 HydrophobicContact CG2-CG2 4.24Å; I586-A609 HydrophobicContact CD1-CB 4.21Å; I586-F612 HydrophobicContact CD1-CB 4.34Å; I586-F612 HydrophobicContact CG2-CD2 4.39Å; I586-V638 HydrophobicContact CG1-CG1 3.8Å; I586-S641 VanDerWaalsContact CG1-OG 3.3Å; I586-S641 WeakPolarHBondContact CG1-OG 3.26Å; I586-R642 WeakPolarHBondContact O-CA 3.44Å; I586-L645 HydrophobicContact CG2-CD2 4.3Å
587	I	97.1	Very high	94.1	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.062	27%	0.267	C	S	.	.	H	α-helix	trans	-78.6	-13.9	-170.7	63.4	86.1	0	0	0	113.9	R583 E584 A589 L590 Q591 I600 Q605 I608	R583-I587 VanDerWaalsContact O-CG1 3.26Å; R583-I587 WeakPolarHBondContact O-CG1 3.35Å; R583-I587 WeakPolarHBondContact O-CG2 3.35Å; R583-I587 PolarHBondContact O-N 3.21Å; E584-I587 PolarHBondContact O-N 3.35Å; I587-A589 PolarHBondContact O-N 3.18Å; I587-L590 PolarHBondContact O-N 3.47Å; I587-Q591 HydrophobicContact CD1-CB 4.15Å; I587-Q591 PolarHBondContact O-N 2.77Å; I587-I600 HydrophobicContact CB-CD1 4.39Å; I587-Q605 HydrophobicContact CB-CG 4.37Å; I587-Q605 HydrophobicContact CG1-CG 4.22Å; I587-Q605 HydrophobicContact CG2-CB 3.98Å; I587-Q605 HydrophobicContact CG2-CG 4.02Å; I587-I608 HydrophobicContact CG2-CG2 4.43Å
588	L	95.1	Very high	94	Very high	67 Å²	67	54.1 Å²	54.1	35%	0.351	28%	0.278	S	S	.	.	H	α-helix	trans	-54.5	-49.3	-167.7	-174.7	62.3	0	0	0	113.6	I577 E584 I586 Q591 A592	I577-L588 HydrophobicContact CD1-CD2 3.74Å; I577-L588 HydrophobicContact CG1-CD2 4.42Å; E584-L588 WeakPolarHBondContact O-CB 3.3Å; E584-L588 PolarHBondContact O-N 2.93Å; I586-L588 VanDerWaalsContact C-N 3.3Å; I586-L588 PolarHBondContact O-N 3.12Å; L588-Q591 PolarHBondContact O-N 2.94Å; L588-A592 WeakPolarHBondContact O-CB 3.42Å; L588-A592 PolarHBondContact O-N 2.92Å
589	A	94.1	Very high	94.2	Very high	7 Å²	7	56.6 Å²	56.6	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-67.6	-39.7	-177	0	0	0	0	0	112.2	I587 A592 Q593 R642 W643 T646	I587-A589 PolarHBondContact O-N 3.18Å; A589-A592 WeakPolarHBondContact O-CB 3.41Å; A589-A592 PolarHBondContact O-N 3.07Å; A589-Q593 WeakPolarHBondContact O-CG 3.38Å; A589-Q593 PolarHBondContact O-N 2.8Å; A589-R642 HydrophobicContact CB-CG 3.59Å; A589-W643 HydrophobicContact CB-CE3 4.11Å; A589-W643 HydrophobicContact CB-CH2 4.46Å; A589-W643 HydrophobicContact CB-CZ3 4.01Å; A589-T646 HydrophobicContact CB-CG2 3.71Å
590	L	95.2	Very high	94.4	Very high	32 Å²	32	53.1 Å²	53.1	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-39.8	176.2	-177.4	64.2	0	0	0	111.4	I587 A592 Q593 R594 I600 I608 L645	I587-L590 PolarHBondContact O-N 3.47Å; L590-A592 VanDerWaalsContact C-N 3.3Å; L590-A592 PolarHBondContact O-N 2.57Å; L590-Q593 PolarHBondContact O-N 3.32Å; L590-R594 WeakPolarHBondContact O-CG 3.36Å; L590-R594 PolarHBondContact O-N 3.23Å; L590-I600 HydrophobicContact CB-CD1 4.18Å; L590-I600 HydrophobicContact CD2-CD1 3.91Å; L590-I600 HydrophobicContact CG-CD1 3.94Å; L590-I608 HydrophobicContact CD2-CD1 4.39Å; L590-L645 HydrophobicContact CB-CD2 3.66Å; L590-L645 HydrophobicContact CB-CG 3.94Å; L590-L645 HydrophobicContact CD2-CD1 3.9Å; L590-L645 HydrophobicContact CD2-CD2 3.84Å; L590-L645 HydrophobicContact CD2-CG 3.81Å; L590-L645 HydrophobicContact CG-CD2 4.39Å; L590-L645 HydrophobicContact CG-CG 4.41Å
591	Q	95.2	Very high	94.4	Very high	39 Å²	39	55.5 Å²	55.5	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-38.5	175.5	-175.3	56.9	74.1	0	0	111.3	I587 L588 R594 G595 R598 I600	I587-Q591 HydrophobicContact CD1-CB 4.15Å; I587-Q591 PolarHBondContact O-N 2.77Å; L588-Q591 PolarHBondContact O-N 2.94Å; Q591-R594 PolarHBondContact O-N 3.33Å; Q591-G595 PolarHBondContact NE2-O 3.22Å; Q591-G595 VanDerWaalsContact NE2-O 3.14Å; Q591-G595 PolarHBondContact O-N 3.24Å; Q591-R598 PolarHBondContact NE2-O 3.37Å; Q591-I600 HydrophobicContact CB-CD1 4.01Å
592	A	92.7	Very high	94.2	Very high	52 Å²	52	63.3 Å²	63.3	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-44.4	174.5	0	0	0	0	0	111.9	H557 L588 A589 L590 R594 G595	H557-A592 PolarHBondContact CD2-O 3.26Å; H557-A592 PolarHBondContact NE2-O 2.99Å; L588-A592 WeakPolarHBondContact O-CB 3.42Å; L588-A592 PolarHBondContact O-N 2.92Å; A589-A592 WeakPolarHBondContact O-CB 3.41Å; A589-A592 PolarHBondContact O-N 3.07Å; L590-A592 VanDerWaalsContact C-N 3.3Å; L590-A592 PolarHBondContact O-N 2.57Å; A592-R594 VanDerWaalsContact C-N 3.32Å; A592-R594 PolarHBondContact O-N 3.44Å; A592-G595 PolarHBondContact O-N 3.12Å
593	Q	91	Very high	94.2	Very high	52 Å²	52	70.7 Å²	70.7	24%	0.243	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-36.5	175.4	-72	-176	-20.4	0	0	113.2	S560 V561 A589 L590 G595	S560-Q593 VanDerWaalsContact C-NE2 3.3Å; S560-Q593 PolarHBondContact O-NE2 2.52Å; S560-Q593 WeakPolarHBondContact OG-CG 3.39Å; S560-Q593 PolarHBondContact OG-NE2 3.31Å; V561-Q593 HydrophobicContact CG2-CG 4.21Å; A589-Q593 WeakPolarHBondContact O-CG 3.38Å; A589-Q593 PolarHBondContact O-N 2.8Å; L590-Q593 PolarHBondContact O-N 3.32Å; Q593-G595 VanDerWaalsContact C-N 3.33Å
594	R	91.9	Very high	94.1	Very high	85 Å²	85	73.3 Å²	73.3	32%	0.321	35%	0.351	S	S	.	.	H	α-helix	trans	-74.1	-25.1	178.1	-74.6	175.6	60.4	155.8	-1.9	112.8	L590 Q591 A592 R598 P599 E604	L590-R594 WeakPolarHBondContact O-CG 3.36Å; L590-R594 PolarHBondContact O-N 3.23Å; Q591-R594 PolarHBondContact O-N 3.33Å; A592-R594 VanDerWaalsContact C-N 3.32Å; A592-R594 PolarHBondContact O-N 3.44Å; R594-R598 HydrophobicContact CB-CB 4.18Å; R594-R598 PolarHBondContact NE-O 3.25Å; R594-R598 PolarHBondContact NH2-O 2.99Å; R594-R598 VanDerWaalsContact NH2-O 3.08Å; R594-P599 PolarHBondContact NH2-O 3.44Å; R594-E604 IonicContact NH1-OE1 3.2Å; R594-E604 PolarHBondContact NH1-OE1 2.91Å; R594-E604 IonicContact NH1-OE2 2.79Å
595	G	89.4	Confident	94.1	Very high	27 Å²	27	70.8 Å²	70.8	28%	0.278	34%	0.339	S	S	.	.			trans	71.9	173.1	-174.1	0	0	0	0	0	113.6	Q591 A592 Q593 L597 R598	Q591-G595 PolarHBondContact NE2-O 3.22Å; Q591-G595 VanDerWaalsContact NE2-O 3.14Å; Q591-G595 PolarHBondContact O-N 3.24Å; A592-G595 PolarHBondContact O-N 3.12Å; Q593-G595 VanDerWaalsContact C-N 3.33Å; G595-L597 VanDerWaalsContact C-N 3.27Å; G595-L597 PolarHBondContact O-N 2.96Å; G595-R598 PolarHBondContact O-N 3.22Å
596	W	86.7	Confident	94.1	Very high	224 Å²	224	73 Å²	73	85%	0.848	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-24.9	-175.5	69.3	-70.3	0	0	0	114.5	R598	W596-R598 VanDerWaalsContact C-N 3.3Å; W596-R598 PolarHBondContact O-N 2.83Å
597	L	89.9	Confident	94.1	Very high	129 Å²	129	78.1 Å²	78.1	68%	0.675	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.8	-179.5	-64.4	175.8	0	0	0	113.8	G595	G595-L597 VanDerWaalsContact C-N 3.27Å; G595-L597 PolarHBondContact O-N 2.96Å
598	R	92.8	Very high	94.1	Very high	181 Å²	181	78.2 Å²	78.2	68%	0.683	37%	0.374	S	S	*	.	S	Bend	trans	-130.7	65.7	-177.2	-65	-178	178.6	-177.2	0.1	110.9	Q591 R594 G595 W596	Q591-R598 PolarHBondContact NE2-O 3.37Å; R594-R598 HydrophobicContact CB-CB 4.18Å; R594-R598 PolarHBondContact NE-O 3.25Å; R594-R598 PolarHBondContact NH2-O 2.99Å; R594-R598 VanDerWaalsContact NH2-O 3.08Å; G595-R598 PolarHBondContact O-N 3.22Å; W596-R598 VanDerWaalsContact C-N 3.3Å; W596-R598 PolarHBondContact O-N 2.83Å
599	P	93.3	Very high	94.2	Very high	90 Å²	90	75 Å²	75	58%	0.584	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-61.7	141.2	179.2	27.1	-34.4	0	0	0	111.9	R594	R594-P599 PolarHBondContact NH2-O 3.44Å
600	I	94.6	Very high	94.4	Very high	5 Å²	5	78.5 Å²	78.5	3%	0.026	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-76.5	126.7	171	-55.4	167	0	0	0	107	I587 L590 Q591 E604 Q605	I587-I600 HydrophobicContact CB-CD1 4.39Å; L590-I600 HydrophobicContact CB-CD1 4.18Å; L590-I600 HydrophobicContact CD2-CD1 3.91Å; L590-I600 HydrophobicContact CG-CD1 3.94Å; Q591-I600 HydrophobicContact CB-CD1 4.01Å; I600-E604 HydrophobicContact CG2-CB 3.9Å; I600-E604 HydrophobicContact CG2-CG 3.73Å; I600-E604 WeakPolarHBondContact CG2-OE2 3.49Å; I600-Q605 HydrophobicContact CB-CG 3.88Å; I600-Q605 HydrophobicContact CG2-CB 4.49Å; I600-Q605 HydrophobicContact CG2-CG 3.5Å; I600-Q605 PolarHBondContact O-NE2 2.83Å
601	S	96.2	Very high	94.4	Very high	65 Å²	65	82.7 Å²	82.7	46%	0.455	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-63.7	148.5	-178.8	74.1	0	0	0	0	111.1	K603 E604 Q605	S601-K603 PolarHBondContact O-N 3.18Å; S601-K603 VanDerWaalsContact O-N 3.17Å; S601-E604 WeakPolarHBondContact O-CB 3.05Å; S601-E604 PolarHBondContact O-N 2.74Å; S601-E604 VanDerWaalsContact OG-CB 3.23Å; S601-E604 WeakPolarHBondContact OG-CB 3.23Å; S601-E604 PolarHBondContact OG-N 3.14Å; S601-Q605 WeakPolarHBondContact O-CG 3.29Å; S601-Q605 PolarHBondContact O-N 3.12Å
602	R	94.9	Very high	94.5	Very high	170 Å²	170	81.4 Å²	81.4	64%	0.642	38%	0.379	S	S	*	.	H	α-helix	trans	-57	-35.5	-179.4	-167.8	175.4	-176.4	-165.2	0.8	112.7	Q605 Q606 E624	R602-Q605 PolarHBondContact O-N 2.58Å; R602-Q606 WeakPolarHBondContact O-CB 3.38Å; R602-Q606 PolarHBondContact O-N 2.82Å; R602-E624 IonicContact CZ-OE1 3.2Å; R602-E624 IonicContact NE-OE1 2.82Å; R602-E624 IonicContact NH2-OE1 2.72Å; R602-E624 PolarHBondContact NH2-OE1 3.48Å
603	K	97	Very high	94.5	Very high	154 Å²	154	80.2 Å²	80.2	67%	0.67	37%	0.366	S	S	*	.	H	α-helix	trans	-62.7	-49.5	174.8	-176.7	179	175.1	-177.4	0	111.7	S601 Q605 Q606 E607	S601-K603 PolarHBondContact O-N 3.18Å; S601-K603 VanDerWaalsContact O-N 3.17Å; K603-Q605 VanDerWaalsContact C-N 3.33Å; K603-Q605 PolarHBondContact O-N 3.32Å; K603-Q606 WeakPolarHBondContact O-CB 3.28Å; K603-Q606 PolarHBondContact O-N 3.05Å; K603-E607 WeakPolarHBondContact CE-OE1 3.4Å; K603-E607 WeakPolarHBondContact O-CG 3.47Å; K603-E607 PolarHBondContact O-N 2.89Å
604	E	96.6	Very high	94.5	Very high	69 Å²	69	86.6 Å²	86.6	32%	0.322	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-40.1	176.8	-176.5	-173.1	175.3	0	0	111.5	R594 I600 S601 Q606 E607 I608	R594-E604 IonicContact NH1-OE1 3.2Å; R594-E604 PolarHBondContact NH1-OE1 2.91Å; R594-E604 IonicContact NH1-OE2 2.79Å; I600-E604 HydrophobicContact CG2-CB 3.9Å; I600-E604 HydrophobicContact CG2-CG 3.73Å; I600-E604 WeakPolarHBondContact CG2-OE2 3.49Å; S601-E604 WeakPolarHBondContact O-CB 3.05Å; S601-E604 PolarHBondContact O-N 2.74Å; S601-E604 VanDerWaalsContact OG-CB 3.23Å; S601-E604 WeakPolarHBondContact OG-CB 3.23Å; S601-E604 PolarHBondContact OG-N 3.14Å; E604-Q606 VanDerWaalsContact C-N 3.34Å; E604-Q606 PolarHBondContact O-N 2.87Å; E604-E607 PolarHBondContact O-N 2.9Å; E604-I608 HydrophobicContact CG-CD1 4.01Å; E604-I608 WeakPolarHBondContact O-CB 3.43Å; E604-I608 WeakPolarHBondContact O-CD1 3.34Å; E604-I608 VanDerWaalsContact O-CG1 3.25Å; E604-I608 WeakPolarHBondContact O-CG1 3.37Å; E604-I608 PolarHBondContact O-N 3.02Å
605	Q	97.7	Very high	94.4	Very high	25 Å²	25	88.8 Å²	88.8	12%	0.117	40%	0.401	C	S	.	.	H	α-helix	trans	-60.2	-43.7	174.9	-66.2	-178.8	31.6	0	0	112	R583 I587 I600 S601 R602 K603 I608 A609	R583-Q605 HydrophobicContact CG-CB 3.99Å; I587-Q605 HydrophobicContact CB-CG 4.37Å; I587-Q605 HydrophobicContact CG1-CG 4.22Å; I587-Q605 HydrophobicContact CG2-CB 3.98Å; I587-Q605 HydrophobicContact CG2-CG 4.02Å; I600-Q605 HydrophobicContact CB-CG 3.88Å; I600-Q605 HydrophobicContact CG2-CB 4.49Å; I600-Q605 HydrophobicContact CG2-CG 3.5Å; I600-Q605 PolarHBondContact O-NE2 2.83Å; S601-Q605 WeakPolarHBondContact O-CG 3.29Å; S601-Q605 PolarHBondContact O-N 3.12Å; R602-Q605 PolarHBondContact O-N 2.58Å; K603-Q605 VanDerWaalsContact C-N 3.33Å; K603-Q605 PolarHBondContact O-N 3.32Å; Q605-I608 PolarHBondContact O-N 2.87Å; Q605-A609 WeakPolarHBondContact O-CB 3.47Å; Q605-A609 PolarHBondContact O-N 3.38Å
606	Q	97.4	Very high	94.4	Very high	48 Å²	48	88.2 Å²	88.2	22%	0.224	39%	0.392	C	S	.	.	H	α-helix	trans	-63.5	-48.1	178.8	-175.5	63.8	21.2	0	0	111.5	R602 K603 E604 I608 A609 E610 T623	R602-Q606 WeakPolarHBondContact O-CB 3.38Å; R602-Q606 PolarHBondContact O-N 2.82Å; K603-Q606 WeakPolarHBondContact O-CB 3.28Å; K603-Q606 PolarHBondContact O-N 3.05Å; E604-Q606 VanDerWaalsContact C-N 3.34Å; E604-Q606 PolarHBondContact O-N 2.87Å; Q606-I608 VanDerWaalsContact C-N 3.31Å; Q606-I608 PolarHBondContact O-N 2.88Å; Q606-A609 PolarHBondContact O-N 2.8Å; Q606-E610 WeakPolarHBondContact CG-OE1 3.27Å; Q606-E610 PolarHBondContact NE2-OE1 3.31Å; Q606-E610 WeakPolarHBondContact O-CG 3.47Å; Q606-E610 PolarHBondContact O-N 2.79Å; Q606-T623 VanDerWaalsContact NE2-CG2 3.33Å; Q606-T623 PolarHBondContact NE2-OG1 3.13Å; Q606-T623 PolarHBondContact OE1-OG1 2.86Å
607	E	97.4	Very high	94.5	Very high	107 Å²	107	79.4 Å²	79.4	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-59.7	-41.2	177.9	-71.4	171.2	-172.6	0	0	112	K603 E604 R611	K603-E607 WeakPolarHBondContact CE-OE1 3.4Å; K603-E607 WeakPolarHBondContact O-CG 3.47Å; K603-E607 PolarHBondContact O-N 2.89Å; E604-E607 PolarHBondContact O-N 2.9Å; E607-R611 WeakPolarHBondContact O-CB 3.33Å; E607-R611 PolarHBondContact O-N 2.86Å; E607-R611 VanDerWaalsContact O-N 3.11Å
608	I	97.4	Very high	94.4	Very high	14 Å²	14	73.7 Å²	73.7	7%	0.072	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-48.7	175.3	-72.7	167.6	0	0	0	111	I586 I587 L590 E604 Q605 Q606 R611 F612 L645	I586-I608 HydrophobicContact CG2-CG2 4.24Å; I587-I608 HydrophobicContact CG2-CG2 4.43Å; L590-I608 HydrophobicContact CD2-CD1 4.39Å; E604-I608 HydrophobicContact CG-CD1 4.01Å; E604-I608 WeakPolarHBondContact O-CB 3.43Å; E604-I608 WeakPolarHBondContact O-CD1 3.34Å; E604-I608 VanDerWaalsContact O-CG1 3.25Å; E604-I608 WeakPolarHBondContact O-CG1 3.37Å; E604-I608 PolarHBondContact O-N 3.02Å; Q605-I608 PolarHBondContact O-N 2.87Å; Q606-I608 VanDerWaalsContact C-N 3.31Å; Q606-I608 PolarHBondContact O-N 2.88Å; I608-R611 WeakPolarHBondContact O-CB 3.38Å; I608-R611 PolarHBondContact O-N 3.41Å; I608-F612 HydrophobicContact CG2-CD2 4.09Å; I608-F612 HydrophobicContact CG2-CE2 4.39Å; I608-F612 PolarHBondContact O-N 2.89Å; I608-F612 VanDerWaalsContact O-N 3.09Å; I608-L645 HydrophobicContact CD1-CD1 4.29Å; I608-L645 HydrophobicContact CG1-CD1 4.48Å; I608-L645 HydrophobicContact CG2-CD1 3.57Å; I608-L645 HydrophobicContact CG2-CD2 3.81Å; I608-L645 HydrophobicContact CG2-CG 4.32Å
609	A	97.4	Very high	94.1	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.9	-47	-178.2	0	0	0	0	0	111.3	R583 I586 Q605 Q606 R611 F612 I613 T623	R583-A609 HydrophobicContact CB-CB 4.19Å; R583-A609 HydrophobicContact CG-CB 4.26Å; I586-A609 HydrophobicContact CD1-CB 4.21Å; Q605-A609 WeakPolarHBondContact O-CB 3.47Å; Q605-A609 PolarHBondContact O-N 3.38Å; Q606-A609 PolarHBondContact O-N 2.8Å; A609-R611 VanDerWaalsContact C-N 3.28Å; A609-R611 PolarHBondContact O-N 2.91Å; A609-F612 PolarHBondContact O-N 2.95Å; A609-I613 WeakPolarHBondContact O-CB 3.27Å; A609-I613 VanDerWaalsContact O-CG1 3.24Å; A609-I613 WeakPolarHBondContact O-CG1 3.46Å; A609-I613 PolarHBondContact O-N 3.16Å; A609-T623 HydrophobicContact CB-CG2 3.8Å
610	E	97	Very high	93.7	Very high	81 Å²	81	70.8 Å²	70.8	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-33.7	177	-72.7	174.8	-173.7	0	0	113.1	Q606 R614 T623	Q606-E610 WeakPolarHBondContact CG-OE1 3.27Å; Q606-E610 PolarHBondContact NE2-OE1 3.31Å; Q606-E610 WeakPolarHBondContact O-CG 3.47Å; Q606-E610 PolarHBondContact O-N 2.79Å; E610-R614 WeakPolarHBondContact O-CG 3.48Å; E610-R614 PolarHBondContact O-N 2.63Å; E610-R614 PolarHBondContact O-NE 3.1Å; E610-T623 HydrophobicContact CG-CG2 3.97Å
611	R	96.8	Very high	93.1	Very high	120 Å²	120	76.2 Å²	76.2	45%	0.453	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-49.7	174.5	-175.2	178.7	66.7	-154.1	-4	111.1	E607 I608 A609 R614 Q615	E607-R611 WeakPolarHBondContact O-CB 3.33Å; E607-R611 PolarHBondContact O-N 2.86Å; E607-R611 VanDerWaalsContact O-N 3.11Å; I608-R611 WeakPolarHBondContact O-CB 3.38Å; I608-R611 PolarHBondContact O-N 3.41Å; A609-R611 VanDerWaalsContact C-N 3.28Å; A609-R611 PolarHBondContact O-N 2.91Å; R611-R614 PolarHBondContact O-N 3.23Å; R611-Q615 WeakPolarHBondContact O-CB 3.36Å; R611-Q615 PolarHBondContact O-N 3.47Å
612	F	95.7	Very high	92.9	Very high	11 Å²	11	75.6 Å²	75.6	5%	0.048	35%	0.353	C	S	.	.	H	α-helix	trans	-70.6	-34.5	-179.1	-87.3	-76.1	0	0	0	113.3	I586 I608 A609 R614 Q615 L616 S641 L644 L645	I586-F612 HydrophobicContact CD1-CB 4.34Å; I586-F612 HydrophobicContact CG2-CD2 4.39Å; I608-F612 HydrophobicContact CG2-CD2 4.09Å; I608-F612 HydrophobicContact CG2-CE2 4.39Å; I608-F612 PolarHBondContact O-N 2.89Å; I608-F612 VanDerWaalsContact O-N 3.09Å; A609-F612 PolarHBondContact O-N 2.95Å; F612-R614 VanDerWaalsContact C-N 3.29Å; F612-R614 PolarHBondContact O-N 3.38Å; F612-Q615 PolarHBondContact O-N 3.32Å; F612-L616 HydrophobicContact CD1-CD1 4.4Å; F612-L616 HydrophobicContact CD1-CG 4.47Å; F612-L616 PolarHBondContact O-N 3.17Å; F612-S641 VanDerWaalsContact CD1-CB 3.49Å; F612-L644 HydrophobicContact CE1-CB 3.81Å; F612-L644 HydrophobicContact CZ-CB 4.21Å; F612-L645 HydrophobicContact CE2-CB 3.86Å; F612-L645 HydrophobicContact CE2-CD1 3.79Å; F612-L645 HydrophobicContact CE2-CG 4.4Å; F612-L645 HydrophobicContact CZ-CB 4.09Å
613	I	93.5	Very high	92.9	Very high	28 Å²	28	68 Å²	68	14%	0.144	33%	0.325	C	S	.	.	H	α-helix	trans	-56.5	-46.5	171.9	-75.6	168.1	0	0	0	110.5	V582 A609 G617 I618 T620 T623	V582-I613 HydrophobicContact CG1-CD1 4.23Å; V582-I613 HydrophobicContact CG1-CG1 4.43Å; A609-I613 WeakPolarHBondContact O-CB 3.27Å; A609-I613 VanDerWaalsContact O-CG1 3.24Å; A609-I613 WeakPolarHBondContact O-CG1 3.46Å; A609-I613 PolarHBondContact O-N 3.16Å; I613-G617 WeakPolarHBondContact O-CA 3.5Å; I613-G617 PolarHBondContact O-N 2.9Å; I613-G617 VanDerWaalsContact O-N 3.09Å; I613-I618 HydrophobicContact CB-CB 4.42Å; I613-I618 HydrophobicContact CG1-CB 4.2Å; I613-I618 HydrophobicContact CG1-CD1 4.35Å; I613-I618 HydrophobicContact CG2-CB 4.43Å; I613-I618 PolarHBondContact O-N 3.3Å; I613-T620 HydrophobicContact CD1-CG2 3.78Å; I613-T620 HydrophobicContact CG1-CG2 4.24Å; I613-T620 HydrophobicContact CG2-CG2 4.43Å; I613-T623 HydrophobicContact CD1-CG2 3.56Å
614	R	91.4	Very high	92.9	Very high	186 Å²	186	63.7 Å²	63.7	70%	0.702	31%	0.307	S	S	*	.	H	α-helix	trans	-68.7	-47	176.7	-74.6	-177	-74.2	-172.8	-4.5	112.4	E610 R611 F612 L616 G617	E610-R614 WeakPolarHBondContact O-CG 3.48Å; E610-R614 PolarHBondContact O-N 2.63Å; E610-R614 PolarHBondContact O-NE 3.1Å; R611-R614 PolarHBondContact O-N 3.23Å; F612-R614 VanDerWaalsContact C-N 3.29Å; F612-R614 PolarHBondContact O-N 3.38Å; R614-L616 PolarHBondContact O-N 3.24Å; R614-G617 PolarHBondContact O-N 3.07Å
615	Q	89.1	Confident	92.7	Very high	130 Å²	130	62.7 Å²	62.7	61%	0.607	30%	0.303	S	S	*	.	H	α-helix	trans	-64.4	-38.9	-174.5	-173.8	177.4	-5.1	0	0	113	R611 F612	R611-Q615 WeakPolarHBondContact O-CB 3.36Å; R611-Q615 PolarHBondContact O-N 3.47Å; F612-Q615 PolarHBondContact O-N 3.32Å
616	L	89.5	Confident	92.4	Very high	16 Å²	16	63.3 Å²	63.3	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-98.8	-0.8	-179.6	-56.2	-172.1	0	0	0	113.4	F612 R614 I618 K637 L644 L671	F612-L616 HydrophobicContact CD1-CD1 4.4Å; F612-L616 HydrophobicContact CD1-CG 4.47Å; F612-L616 PolarHBondContact O-N 3.17Å; R614-L616 PolarHBondContact O-N 3.24Å; L616-I618 HydrophobicContact CB-CD1 4.48Å; L616-I618 HydrophobicContact CB-CG1 4.09Å; L616-K637 WeakPolarHBondContact CD1-O 3.19Å; L616-K637 WeakPolarHBondContact O-CD 3.26Å; L616-K637 WeakPolarHBondContact O-CE 3.42Å; L616-K637 PolarHBondContact O-NZ 3.42Å; L616-L644 HydrophobicContact CD1-CD1 4.32Å; L616-L644 HydrophobicContact CD2-CD1 4.47Å; L616-L671 HydrophobicContact CD1-CD2 4.35Å; L616-L671 HydrophobicContact CD2-CD1 3.63Å; L616-L671 HydrophobicContact CD2-CD2 3.88Å; L616-L671 HydrophobicContact CD2-CG 4.44Å
617	G	88.3	Confident	92.2	Very high	39 Å²	39	61 Å²	61	40%	0.402	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	48.8	-177	0	0	0	0	0	112.6	I613 R614 R619 K637	I613-G617 WeakPolarHBondContact O-CA 3.5Å; I613-G617 PolarHBondContact O-N 2.9Å; I613-G617 VanDerWaalsContact O-N 3.09Å; R614-G617 PolarHBondContact O-N 3.07Å; G617-R619 PolarHBondContact O-N 2.83Å; G617-K637 PolarHBondContact O-NZ 3.49Å
618	I	88.8	Confident	91.7	Very high	8 Å²	8	60.5 Å²	60.5	4%	0.041	30%	0.296	C	S	.	.			trans	-77.1	117.6	177.8	-53.4	178.1	0	0	0	108.4	I613 L616 T620 L630 N634 K637 V638	I613-I618 HydrophobicContact CB-CB 4.42Å; I613-I618 HydrophobicContact CG1-CB 4.2Å; I613-I618 HydrophobicContact CG1-CD1 4.35Å; I613-I618 HydrophobicContact CG2-CB 4.43Å; I613-I618 PolarHBondContact O-N 3.3Å; L616-I618 HydrophobicContact CB-CD1 4.48Å; L616-I618 HydrophobicContact CB-CG1 4.09Å; I618-T620 HydrophobicContact CG2-CG2 4.47Å; I618-T620 PolarHBondContact O-N 2.92Å; I618-L630 HydrophobicContact CG2-CD2 4.32Å; I618-N634 HydrophobicContact CG2-CB 4.33Å; I618-K637 HydrophobicContact CD1-CB 4.21Å; I618-K637 HydrophobicContact CG1-CB 3.82Å; I618-K637 HydrophobicContact CG1-CD 4.35Å; I618-V638 HydrophobicContact CD1-CG2 3.83Å; I618-V638 HydrophobicContact CG2-CG2 3.84Å
619	R	86.2	Confident	91.1	Very high	181 Å²	181	66.5 Å²	66.5	68%	0.683	32%	0.321	S	S	*	.			trans	-82.2	105.6	176.9	-58.3	-174.3	-172.9	173.6	5	109.3	G617 N634	G617-R619 PolarHBondContact O-N 2.83Å; R619-N634 PolarHBondContact N-OD1 3.09Å
620	T	84.5	Confident	90.3	Very high	30 Å²	30	67.1 Å²	67.1	18%	0.184	33%	0.325	C	S	.	.			trans	-147.2	142.6	174.9	-178.6	0	0	0	0	110.5	I613 I618 S622 Q625	I613-T620 HydrophobicContact CD1-CG2 3.78Å; I613-T620 HydrophobicContact CG1-CG2 4.24Å; I613-T620 HydrophobicContact CG2-CG2 4.43Å; I618-T620 HydrophobicContact CG2-CG2 4.47Å; I618-T620 PolarHBondContact O-N 2.92Å; T620-S622 VanDerWaalsContact C-N 3.26Å; T620-S622 WeakPolarHBondContact CG2-O 3.44Å; T620-S622 PolarHBondContact O-N 3.18Å; T620-S622 PolarHBondContact OG1-O 3.39Å; T620-Q625 WeakPolarHBondContact OG1-CB 3.46Å
621	P	83.4	Confident	89.5	Confident	118 Å²	118	65.4 Å²	65.4	77%	0.766	32%	0.322	S	S	*	.	S	Bend	trans	-63.2	-31.4	175.3	-21.4	32.7	0	0	0	113.2
622	S	91.4	Very high	88.8	Confident	52 Å²	52	60.5 Å²	60.5	36%	0.364	31%	0.309	S	S	.	.			trans	-157.2	166.4	177.9	75.3	0	0	0	0	111.8	T620 E624 Q625	T620-S622 VanDerWaalsContact C-N 3.26Å; T620-S622 WeakPolarHBondContact CG2-O 3.44Å; T620-S622 PolarHBondContact O-N 3.18Å; T620-S622 PolarHBondContact OG1-O 3.39Å; S622-E624 PolarHBondContact O-N 3.29Å; S622-E624 PolarHBondContact OG-N 2.94Å; S622-Q625 WeakPolarHBondContact O-CB 3.43Å; S622-Q625 PolarHBondContact O-N 2.81Å; S622-Q625 PolarHBondContact OG-N 3.16Å
623	T	95	Very high	88.2	Confident	10 Å²	10	60.1 Å²	60.1	6%	0.061	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.2	170.5	50.7	0	0	0	0	113.1	V582 R583 Q606 A609 E610 I613	V582-T623 PolarHBondContact N-O 3.34Å; R583-T623 WeakPolarHBondContact CB-O 3.45Å; R583-T623 PolarHBondContact N-O 2.91Å; Q606-T623 VanDerWaalsContact NE2-CG2 3.33Å; Q606-T623 PolarHBondContact NE2-OG1 3.13Å; Q606-T623 PolarHBondContact OE1-OG1 2.86Å; A609-T623 HydrophobicContact CB-CG2 3.8Å; E610-T623 HydrophobicContact CG-CG2 3.97Å; I613-T623 HydrophobicContact CD1-CG2 3.56Å
624	E	96.1	Very high	87.9	Confident	64 Å²	64	59.6 Å²	59.6	30%	0.299	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.6	-177.8	-61.2	-68.7	-177.7	0	0	112.6	R583 R602 S622 P626	R583-E624 IonicContact CZ-OE1 3.21Å; R583-E624 IonicContact CZ-OE2 3.98Å; R583-E624 IonicContact NE-OE1 3.02Å; R583-E624 PolarHBondContact NE-OE1 3.41Å; R583-E624 IonicContact NE-OE2 2.8Å; R583-E624 PolarHBondContact NE-OE2 3.46Å; R583-E624 IonicContact NH2-OE1 3.35Å; R583-E624 PolarHBondContact NH2-OE1 3.4Å; R583-E624 IonicContact NH2-OE2 3.42Å; R583-E624 PolarHBondContact NH2-OE2 2.93Å; R602-E624 IonicContact CZ-OE1 3.2Å; R602-E624 IonicContact NE-OE1 2.82Å; R602-E624 IonicContact NH2-OE1 2.72Å; R602-E624 PolarHBondContact NH2-OE1 3.48Å; S622-E624 PolarHBondContact O-N 3.29Å; S622-E624 PolarHBondContact OG-N 2.94Å; E624-P626 WeakPolarHBondContact O-CD 3.2Å
625	Q	93.8	Very high	87.9	Confident	49 Å²	49	51.3 Å²	51.3	23%	0.229	28%	0.275	C	S	.	.	S	Bend	trans	-59.1	128.2	174.8	-177.2	66.1	31.3	0	0	110	S581 V582 T620 S622 I627 L630	S581-Q625 CarbonylContact C-O 3.41Å; S581-Q625 WeakPolarHBondContact CA-O 3.46Å; V582-Q625 PolarHBondContact N-O 3.25Å; T620-Q625 WeakPolarHBondContact OG1-CB 3.46Å; S622-Q625 WeakPolarHBondContact O-CB 3.43Å; S622-Q625 PolarHBondContact O-N 2.81Å; S622-Q625 PolarHBondContact OG-N 3.16Å; Q625-I627 PolarHBondContact O-N 3.28Å; Q625-L630 HydrophobicContact CB-CD1 4.36Å; Q625-L630 HydrophobicContact CG-CD1 3.58Å
626	P	91.1	Very high	87.9	Confident	38 Å²	38	45.3 Å²	45.3	25%	0.247	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-58.6	131.5	170.6	-23.6	33.7	0	0	0	110.8	E624 E628 F629	E624-P626 WeakPolarHBondContact O-CD 3.2Å; P626-E628 HydrophobicContact CB-CG 4.31Å; P626-E628 PolarHBondContact O-N 2.87Å; P626-F629 HydrophobicContact CB-CD2 3.76Å; P626-F629 HydrophobicContact CB-CE2 3.88Å; P626-F629 HydrophobicContact CG-CD2 4.06Å; P626-F629 HydrophobicContact CG-CE2 3.96Å; P626-F629 PolarHBondContact O-N 3.11Å
627	I	93	Very high	88.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-66.2	-24.9	-170.3	-168.9	166.8	0	0	0	113	I576 I577 A578 A580 N585 Q625 F629 L630 Q635 V638	I576-I627 HydrophobicContact CB-CD1 4.1Å; I576-I627 HydrophobicContact CB-CG2 4.17Å; I576-I627 HydrophobicContact CD1-CG1 4.43Å; I576-I627 HydrophobicContact CD1-CG2 4.08Å; I576-I627 HydrophobicContact CG1-CG2 4.29Å; I576-I627 HydrophobicContact CG2-CD1 3.79Å; I577-I627 WeakPolarHBondContact O-CG2 3.48Å; A578-I627 WeakPolarHBondContact O-CG2 3.5Å; A578-I627 PolarHBondContact O-N 2.93Å; A580-I627 PolarHBondContact O-N 3.07Å; N585-I627 HydrophobicContact CB-CD1 3.91Å; N585-I627 VanDerWaalsContact ND2-CG2 3.33Å; N585-I627 WeakPolarHBondContact ND2-CG2 3.28Å; Q625-I627 PolarHBondContact O-N 3.28Å; I627-F629 PolarHBondContact O-N 3.36Å; I627-L630 HydrophobicContact CG1-CD2 4.45Å; I627-L630 WeakPolarHBondContact O-CB 3.36Å; I627-L630 PolarHBondContact O-N 2.9Å; I627-Q635 HydrophobicContact CG1-CG 4.05Å; I627-Q635 PolarHBondContact O-NE2 2.87Å; I627-Q635 VanDerWaalsContact O-NE2 3.11Å; I627-V638 HydrophobicContact CD1-CB 3.77Å; I627-V638 HydrophobicContact CD1-CG1 3.48Å; I627-V638 VanDerWaalsContact CD1-CG1 3.48Å; I627-V638 HydrophobicContact CD1-CG2 4.24Å
628	E	86.1	Confident	88.5	Confident	95 Å²	95	43.2 Å²	43.2	44%	0.444	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-58.9	-26.9	177.6	66.6	-170.7	154.9	0	0	113.9	A578 P626	A578-E628 HydrophobicContact CB-CB 4.01Å; A578-E628 WeakPolarHBondContact O-CB 3.23Å; A578-E628 PolarHBondContact O-N 2.97Å; A578-E628 VanDerWaalsContact O-N 3.1Å; P626-E628 HydrophobicContact CB-CG 4.31Å; P626-E628 PolarHBondContact O-N 2.87Å
629	F	84.5	Confident	88.7	Confident	140 Å²	140	42.9 Å²	42.9	61%	0.614	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-85.8	-3.9	178.5	-59.8	-58.9	0	0	0	114	P626 I627	P626-F629 HydrophobicContact CB-CD2 3.76Å; P626-F629 HydrophobicContact CB-CE2 3.88Å; P626-F629 HydrophobicContact CG-CD2 4.06Å; P626-F629 HydrophobicContact CG-CE2 3.96Å; P626-F629 PolarHBondContact O-N 3.11Å; I627-F629 PolarHBondContact O-N 3.36Å
630	L	81.5	Confident	89.2	Confident	13 Å²	13	34.3 Å²	34.3	7%	0.068	19%	0.191	C	C	.	.	S	Bend	trans	-82.1	151.9	174	-82.5	59.7	0	0	0	110.3	V582 I618 Q625 I627 N634 Q635 V638	V582-L630 HydrophobicContact CG2-CD1 4.09Å; V582-L630 HydrophobicContact CG2-CD2 3.55Å; V582-L630 HydrophobicContact CG2-CG 4.5Å; I618-L630 HydrophobicContact CG2-CD2 4.32Å; Q625-L630 HydrophobicContact CB-CD1 4.36Å; Q625-L630 HydrophobicContact CG-CD1 3.58Å; I627-L630 HydrophobicContact CG1-CD2 4.45Å; I627-L630 WeakPolarHBondContact O-CB 3.36Å; I627-L630 PolarHBondContact O-N 2.9Å; L630-N634 HydrophobicContact CB-CB 4.11Å; L630-N634 HydrophobicContact CD2-CB 4.11Å; L630-N634 HydrophobicContact CG-CB 4.34Å; L630-Q635 HydrophobicContact CB-CG 3.98Å; L630-Q635 PolarHBondContact O-NE2 2.95Å; L630-V638 HydrophobicContact CD2-CG2 4.24Å
631	S	80.1	Confident	89.7	Confident	45 Å²	45	32.9 Å²	32.9	32%	0.315	18%	0.183	S	C	.	.			trans	-63.6	154.9	171	71	0	0	0	0	111.5	G633 N634 Q635	S631-G633 VanDerWaalsContact C-N 3.27Å; S631-G633 PolarHBondContact O-N 2.9Å; S631-N634 PolarHBondContact O-N 3.14Å; S631-N634 PolarHBondContact OG-ND2 3.06Å; S631-Q635 WeakPolarHBondContact O-CG 3.3Å; S631-Q635 PolarHBondContact O-N 3.38Å
632	G	81.6	Confident	90.3	Very high	18 Å²	18	28.1 Å²	28.1	19%	0.186	15%	0.149	C	C	.	.	H	α-helix	trans	-52.3	-41.8	-178.4	0	0	0	0	0	113.8	N634 Q635 Q636	G632-N634 PolarHBondContact O-N 2.99Å; G632-Q635 WeakPolarHBondContact O-CB 3.16Å; G632-Q635 PolarHBondContact O-N 3.14Å; G632-Q636 PolarHBondContact O-N 2.79Å
633	G	83.1	Confident	90.5	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-40.5	175.1	0	0	0	0	0	113.8	S631 Q636 K637	S631-G633 VanDerWaalsContact C-N 3.27Å; S631-G633 PolarHBondContact O-N 2.9Å; G633-Q636 PolarHBondContact O-N 2.85Å; G633-K637 WeakPolarHBondContact O-CG 3.39Å; G633-K637 PolarHBondContact O-N 3.17Å; G633-K637 VanDerWaalsContact O-N 3.08Å
634	N	87.7	Confident	90.6	Very high	18 Å²	18	27.6 Å²	27.6	10%	0.096	14%	0.14	C	C	.	.	H	α-helix	trans	-72.6	-36.2	176.8	-73.7	-66	0	0	0	112	I618 R619 L630 S631 G632 Q636 K637 V638	I618-N634 HydrophobicContact CG2-CB 4.33Å; R619-N634 PolarHBondContact N-OD1 3.09Å; L630-N634 HydrophobicContact CB-CB 4.11Å; L630-N634 HydrophobicContact CD2-CB 4.11Å; L630-N634 HydrophobicContact CG-CB 4.34Å; S631-N634 PolarHBondContact O-N 3.14Å; S631-N634 PolarHBondContact OG-ND2 3.06Å; G632-N634 PolarHBondContact O-N 2.99Å; N634-Q636 VanDerWaalsContact C-N 3.29Å; N634-Q636 PolarHBondContact O-N 3.47Å; N634-K637 PolarHBondContact O-N 3.31Å; N634-V638 WeakPolarHBondContact O-CG2 3.27Å; N634-V638 PolarHBondContact O-N 2.83Å
635	Q	91.3	Very high	90.5	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.056	13%	0.13	C	C	.	.	H	α-helix	trans	-58.5	-43.5	171.1	-64.9	176.8	-12.9	0	0	110.9	I576 I627 L630 S631 G632 V638 L639	I576-Q635 HydrophobicContact CD1-CG 4.29Å; I627-Q635 HydrophobicContact CG1-CG 4.05Å; I627-Q635 PolarHBondContact O-NE2 2.87Å; I627-Q635 VanDerWaalsContact O-NE2 3.11Å; L630-Q635 HydrophobicContact CB-CG 3.98Å; L630-Q635 PolarHBondContact O-NE2 2.95Å; S631-Q635 WeakPolarHBondContact O-CG 3.3Å; S631-Q635 PolarHBondContact O-N 3.38Å; G632-Q635 WeakPolarHBondContact O-CB 3.16Å; G632-Q635 PolarHBondContact O-N 3.14Å; Q635-V638 WeakPolarHBondContact O-CB 3.35Å; Q635-V638 PolarHBondContact O-N 3.36Å; Q635-L639 PolarHBondContact O-N 3.33Å
636	Q	90	Very high	90.6	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.019	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-43.8	177.9	-167.1	65.8	12.3	0	0	112.3	G632 G633 N634 V638 L639 L640 P656 I660 I668	G632-Q636 PolarHBondContact O-N 2.79Å; G633-Q636 PolarHBondContact O-N 2.85Å; N634-Q636 VanDerWaalsContact C-N 3.29Å; N634-Q636 PolarHBondContact O-N 3.47Å; Q636-V638 VanDerWaalsContact C-N 3.3Å; Q636-V638 PolarHBondContact O-N 3.27Å; Q636-L639 WeakPolarHBondContact O-CB 3.11Å; Q636-L639 PolarHBondContact O-N 3.37Å; Q636-L640 PolarHBondContact O-N 2.96Å; Q636-P656 WeakPolarHBondContact CG-O 3.18Å; Q636-P656 PolarHBondContact NE2-O 2.61Å; Q636-I660 HydrophobicContact CB-CG2 4.49Å; Q636-I668 HydrophobicContact CB-CD1 4.37Å; Q636-I668 HydrophobicContact CG-CD1 4.02Å; Q636-I668 HydrophobicContact CG-CG1 4.48Å
637	K	92.9	Very high	90.7	Very high	11 Å²	11	31.6 Å²	31.6	5%	0.048	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-37.3	175	-69.1	175.5	175.9	-164	0	112.7	L616 G617 I618 G633 N634 L640 S641 E667 I668	L616-K637 WeakPolarHBondContact CD1-O 3.19Å; L616-K637 WeakPolarHBondContact O-CD 3.26Å; L616-K637 WeakPolarHBondContact O-CE 3.42Å; L616-K637 PolarHBondContact O-NZ 3.42Å; G617-K637 PolarHBondContact O-NZ 3.49Å; I618-K637 HydrophobicContact CD1-CB 4.21Å; I618-K637 HydrophobicContact CG1-CB 3.82Å; I618-K637 HydrophobicContact CG1-CD 4.35Å; G633-K637 WeakPolarHBondContact O-CG 3.39Å; G633-K637 PolarHBondContact O-N 3.17Å; G633-K637 VanDerWaalsContact O-N 3.08Å; N634-K637 PolarHBondContact O-N 3.31Å; K637-L640 PolarHBondContact O-N 3.24Å; K637-S641 WeakPolarHBondContact O-CB 3.29Å; K637-S641 PolarHBondContact O-N 2.97Å; K637-S641 PolarHBondContact O-OG 3.38Å; K637-E667 WeakPolarHBondContact CE-OE2 3.14Å; K637-E667 IonicContact NZ-OE2 3.76Å; K637-E667 PolarHBondContact NZ-OE2 3.04Å; K637-I668 HydrophobicContact CG-CD1 3.9Å
638	V	95.5	Very high	90.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-45.6	173.9	172.5	0	0	0	0	110.5	V582 N585 I586 I618 I627 L630 N634 Q635 Q636 L640 S641 R642	V582-V638 HydrophobicContact CG1-CG1 4.45Å; V582-V638 HydrophobicContact CG1-CG2 3.81Å; V582-V638 HydrophobicContact CG2-CG2 4.47Å; N585-V638 HydrophobicContact CB-CG1 3.72Å; I586-V638 HydrophobicContact CG1-CG1 3.8Å; I618-V638 HydrophobicContact CD1-CG2 3.83Å; I618-V638 HydrophobicContact CG2-CG2 3.84Å; I627-V638 HydrophobicContact CD1-CB 3.77Å; I627-V638 HydrophobicContact CD1-CG1 3.48Å; I627-V638 VanDerWaalsContact CD1-CG1 3.48Å; I627-V638 HydrophobicContact CD1-CG2 4.24Å; L630-V638 HydrophobicContact CD2-CG2 4.24Å; N634-V638 WeakPolarHBondContact O-CG2 3.27Å; N634-V638 PolarHBondContact O-N 2.83Å; Q635-V638 WeakPolarHBondContact O-CB 3.35Å; Q635-V638 PolarHBondContact O-N 3.36Å; Q636-V638 VanDerWaalsContact C-N 3.3Å; Q636-V638 PolarHBondContact O-N 3.27Å; V638-L640 PolarHBondContact O-N 3.06Å; V638-S641 WeakPolarHBondContact CA-OG 3.38Å; V638-S641 PolarHBondContact O-N 3.18Å; V638-S641 PolarHBondContact O-OG 3.09Å; V638-R642 PolarHBondContact O-N 2.72Å
639	L	94.8	Very high	91.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-41.9	176.7	-176.9	60.5	0	0	0	112.2	C567 R571 Q635 Q636 R642 W643	C567-L639 HydrophobicContact CB-CD2 4.23Å; C567-L639 HydrophobicContact CB-CG 4.42Å; R571-L639 HydrophobicContact CB-CD2 4.27Å; Q635-L639 PolarHBondContact O-N 3.33Å; Q636-L639 WeakPolarHBondContact O-CB 3.11Å; Q636-L639 PolarHBondContact O-N 3.37Å; L639-R642 WeakPolarHBondContact O-CB 3.47Å; L639-R642 PolarHBondContact O-N 3.26Å; L639-W643 VanDerWaalsContact O-CD1 3.25Å; L639-W643 PolarHBondContact O-N 3.35Å
640	L	95	Very high	91.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-59.7	-47.4	172.1	-76.7	169	0	0	0	111.4	Q636 K637 V638 R642 W643 L644 L651 L653 I668 L671	Q636-L640 PolarHBondContact O-N 2.96Å; K637-L640 PolarHBondContact O-N 3.24Å; V638-L640 PolarHBondContact O-N 3.06Å; L640-R642 VanDerWaalsContact C-N 3.25Å; L640-R642 PolarHBondContact O-N 3.47Å; L640-W643 PolarHBondContact O-N 2.97Å; L640-W643 VanDerWaalsContact O-N 3.1Å; L640-L644 VanDerWaalsContact O-CG 3.32Å; L640-L644 WeakPolarHBondContact O-CG 3.35Å; L640-L644 PolarHBondContact O-N 3.3Å; L640-L651 HydrophobicContact CD2-CD2 4.43Å; L640-L653 HydrophobicContact CD2-CD2 3.54Å; L640-I668 HydrophobicContact CD1-CD1 3.57Å; L640-L671 HydrophobicContact CD1-CD2 3.68Å
641	S	95.9	Very high	92.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-32.8	179	68.8	0	0	0	0	113.4	I586 F612 K637 V638 W643 L644 L645	I586-S641 VanDerWaalsContact CG1-OG 3.3Å; I586-S641 WeakPolarHBondContact CG1-OG 3.26Å; F612-S641 VanDerWaalsContact CD1-CB 3.49Å; K637-S641 WeakPolarHBondContact O-CB 3.29Å; K637-S641 PolarHBondContact O-N 2.97Å; K637-S641 PolarHBondContact O-OG 3.38Å; V638-S641 WeakPolarHBondContact CA-OG 3.38Å; V638-S641 PolarHBondContact O-N 3.18Å; V638-S641 PolarHBondContact O-OG 3.09Å; S641-W643 VanDerWaalsContact C-N 3.29Å; S641-W643 PolarHBondContact O-N 3.47Å; S641-L644 PolarHBondContact O-N 2.75Å; S641-L645 VanDerWaalsContact O-CB 3.25Å; S641-L645 WeakPolarHBondContact O-CB 3.37Å; S641-L645 PolarHBondContact O-N 3.17Å
642	R	96.4	Very high	93.5	Very high	18 Å²	18	21.9 Å²	21.9	7%	0.068	10%	0.101	C	C	.	.	H	α-helix	trans	-56.9	-45.1	174.3	179.6	-163.8	-68.2	173.1	1.8	111.3	G575 N585 I586 A589 V638 L639 L640	G575-R642 VanDerWaalsContact O-CZ 3.27Å; G575-R642 PolarHBondContact O-NH1 2.98Å; G575-R642 PolarHBondContact O-NH2 3.3Å; N585-R642 WeakPolarHBondContact O-CB 3.32Å; N585-R642 WeakPolarHBondContact O-CG 3.28Å; N585-R642 PolarHBondContact O-NE 3.15Å; N585-R642 PolarHBondContact OD1-NH2 3.19Å; I586-R642 WeakPolarHBondContact O-CA 3.44Å; A589-R642 HydrophobicContact CB-CG 3.59Å; V638-R642 PolarHBondContact O-N 2.72Å; L639-R642 WeakPolarHBondContact O-CB 3.47Å; L639-R642 PolarHBondContact O-N 3.26Å; L640-R642 VanDerWaalsContact C-N 3.25Å; L640-R642 PolarHBondContact O-N 3.47Å
643	W	95.6	Very high	94.3	Very high	27 Å²	27	21 Å²	21	10%	0.102	9%	0.092	C	C	.	.	H	α-helix	trans	-79.9	-41.6	179.8	-64.5	111.7	0	0	0	111.9	F534 F566 C567 A589 L639 L640 S641 L645 T646 P648 L651	F534-W643 AromaticContact CE1-CH2 3.94Å; F534-W643 HydrophobicContact CE1-CH2 3.94Å; F534-W643 HydrophobicContact CE1-CZ2 4.35Å; F534-W643 HydrophobicContact CE2-CH2 4.43Å; F534-W643 HydrophobicContact CE2-CZ3 4.43Å; F534-W643 AromaticContact CZ-CH2 3.41Å; F534-W643 HydrophobicContact CZ-CH2 3.41Å; F534-W643 VanDerWaalsContact CZ-CH2 3.41Å; F534-W643 HydrophobicContact CZ-CZ2 4.12Å; F534-W643 AromaticContact CZ-CZ3 3.76Å; F534-W643 HydrophobicContact CZ-CZ3 3.76Å; F566-W643 WeakPolarHBondContact O-CZ2 3.13Å; F566-W643 PolarHBondContact O-NE1 2.87Å; C567-W643 VanDerWaalsContact SG-CD1 3.56Å; A589-W643 HydrophobicContact CB-CE3 4.11Å; A589-W643 HydrophobicContact CB-CH2 4.46Å; A589-W643 HydrophobicContact CB-CZ3 4.01Å; L639-W643 VanDerWaalsContact O-CD1 3.25Å; L639-W643 PolarHBondContact O-N 3.35Å; L640-W643 PolarHBondContact O-N 2.97Å; L640-W643 VanDerWaalsContact O-N 3.1Å; S641-W643 VanDerWaalsContact C-N 3.29Å; S641-W643 PolarHBondContact O-N 3.47Å; W643-L645 PolarHBondContact O-N 3.01Å; W643-T646 PolarHBondContact O-N 3.06Å; W643-T646 PolarHBondContact O-OG1 3.02Å; W643-P648 WeakPolarHBondContact O-CD 3.2Å; W643-L651 HydrophobicContact CB-CD1 3.98Å; W643-L651 HydrophobicContact CG-CD1 4.46Å
644	L	95.9	Very high	94.8	Very high	24 Å²	24	21 Å²	21	13%	0.126	9%	0.091	C	C	.	.	H	α-helix	trans	-60.2	-31.2	176.8	-66.6	174.9	0	0	0	112.7	F612 L616 L640 S641 T646 R647 L651 L675 L680	F612-L644 HydrophobicContact CE1-CB 3.81Å; F612-L644 HydrophobicContact CZ-CB 4.21Å; L616-L644 HydrophobicContact CD1-CD1 4.32Å; L616-L644 HydrophobicContact CD2-CD1 4.47Å; L640-L644 VanDerWaalsContact O-CG 3.32Å; L640-L644 WeakPolarHBondContact O-CG 3.35Å; L640-L644 PolarHBondContact O-N 3.3Å; S641-L644 PolarHBondContact O-N 2.75Å; L644-T646 PolarHBondContact O-N 3.07Å; L644-R647 PolarHBondContact O-N 2.82Å; L644-L651 HydrophobicContact CD2-CD2 4.33Å; L644-L675 HydrophobicContact CD1-CD1 4.13Å; L644-L675 HydrophobicContact CD1-CD2 3.94Å; L644-L675 HydrophobicContact CD2-CD1 3.96Å; L644-L675 HydrophobicContact CD2-CD2 3.53Å; L644-L675 HydrophobicContact CD2-CG 4.38Å; L644-L675 HydrophobicContact CG-CD2 4.39Å; L644-L680 HydrophobicContact CD2-CD2 4.25Å
645	L	95.6	Very high	94.9	Very high	16 Å²	16	20.5 Å²	20.5	8%	0.084	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.3	173.2	176.1	62.3	0	0	0	112.8	I586 L590 I608 F612 S641 W643 R647	I586-L645 HydrophobicContact CG2-CD2 4.3Å; L590-L645 HydrophobicContact CB-CD2 3.66Å; L590-L645 HydrophobicContact CB-CG 3.94Å; L590-L645 HydrophobicContact CD2-CD1 3.9Å; L590-L645 HydrophobicContact CD2-CD2 3.84Å; L590-L645 HydrophobicContact CD2-CG 3.81Å; L590-L645 HydrophobicContact CG-CD2 4.39Å; L590-L645 HydrophobicContact CG-CG 4.41Å; I608-L645 HydrophobicContact CD1-CD1 4.29Å; I608-L645 HydrophobicContact CG1-CD1 4.48Å; I608-L645 HydrophobicContact CG2-CD1 3.57Å; I608-L645 HydrophobicContact CG2-CD2 3.81Å; I608-L645 HydrophobicContact CG2-CG 4.32Å; F612-L645 HydrophobicContact CE2-CB 3.86Å; F612-L645 HydrophobicContact CE2-CD1 3.79Å; F612-L645 HydrophobicContact CE2-CG 4.4Å; F612-L645 HydrophobicContact CZ-CB 4.09Å; S641-L645 VanDerWaalsContact O-CB 3.25Å; S641-L645 WeakPolarHBondContact O-CB 3.37Å; S641-L645 PolarHBondContact O-N 3.17Å; W643-L645 PolarHBondContact O-N 3.01Å; L645-R647 PolarHBondContact O-N 3.05Å
646	T	94.5	Very high	94.8	Very high	15 Å²	15	20 Å²	20	9%	0.092	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.3	178.4	71.9	0	0	0	0	113.6	A589 W643 L644	A589-T646 HydrophobicContact CB-CG2 3.71Å; W643-T646 PolarHBondContact O-N 3.06Å; W643-T646 PolarHBondContact O-OG1 3.02Å; L644-T646 PolarHBondContact O-N 3.07Å
647	R	93.5	Very high	94.5	Very high	205 Å²	205	19.9 Å²	19.9	77%	0.774	9%	0.086	S	C	*	.			trans	52.4	58.1	-178	-57.5	179.9	178.8	172.3	-1.8	112.3	L644 L645	L644-R647 PolarHBondContact O-N 2.82Å; L645-R647 PolarHBondContact O-N 3.05Å
648	P	95.9	Very high	93.8	Very high	14 Å²	14	24.9 Å²	24.9	9%	0.091	10%	0.104	C	C	.	.			trans	-63.1	153.7	179.5	29.1	-34.8	0	0	0	109.9	G563 W643 L680	G563-P648 CarbonylContact O-C 3.59Å; G563-P648 WeakPolarHBondContact O-CA 3.3Å; W643-P648 WeakPolarHBondContact O-CD 3.2Å; P648-L680 HydrophobicContact CB-CD1 4.43Å; P648-L680 HydrophobicContact CG-CD1 4.23Å; P648-L680 WeakPolarHBondContact O-CD1 3.34Å
649	Q	94.8	Very high	92.5	Very high	73 Å²	73	26.2 Å²	26.2	34%	0.341	12%	0.118	S	C	.	.	S	Bend	trans	-102	-21.1	164.8	-64.1	87.3	6.6	0	0	111.6	V491 G563 A681	V491-Q649 HydrophobicContact CG1-CB 3.6Å; G563-Q649 PolarHBondContact O-N 3.48Å; Q649-A681 VanDerWaalsContact O-CB 3.28Å; Q649-A681 WeakPolarHBondContact O-CB 3.39Å; Q649-A681 PolarHBondContact O-N 2.81Å; Q649-A681 VanDerWaalsContact O-N 3.07Å
650	F	97.7	Very high	91.4	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126	174.7	178.7	-138.3	0	0	0	108.9	V491 A492 F494 V510 I533 G563 I564 G565 I652 A681 L683	V491-F650 HydrophobicContact CG1-CB 4.18Å; A492-F650 HydrophobicContact CB-CB 4.5Å; A492-F650 HydrophobicContact CB-CD1 3.73Å; A492-F650 HydrophobicContact CB-CE1 4.09Å; A492-F650 HydrophobicContact CB-CG 4.09Å; F494-F650 HydrophobicContact CE2-CE1 4.06Å; F494-F650 HydrophobicContact CZ-CE1 4.25Å; V510-F650 HydrophobicContact CB-CD2 4.27Å; V510-F650 HydrophobicContact CB-CE2 3.97Å; V510-F650 HydrophobicContact CG1-CD2 4.3Å; V510-F650 HydrophobicContact CG1-CE2 4.05Å; V510-F650 HydrophobicContact CG2-CD2 4.46Å; V510-F650 HydrophobicContact CG2-CE2 3.7Å; V510-F650 HydrophobicContact CG2-CZ 4.01Å; I533-F650 HydrophobicContact CG2-CE1 3.81Å; G563-F650 PolarHBondContact O-N 3.14Å; G563-F650 VanDerWaalsContact O-N 3.13Å; I564-F650 CarbonylContact C-O 3.56Å; I564-F650 WeakPolarHBondContact CA-O 3.39Å; I564-F650 HydrophobicContact CD1-CD1 4.44Å; I564-F650 HydrophobicContact CG1-CD1 4.21Å; I564-F650 HydrophobicContact CG2-CD1 3.81Å; I564-F650 HydrophobicContact CG2-CE1 4.36Å; G565-F650 PolarHBondContact N-O 3.36Å; F650-I652 HydrophobicContact CE1-CD1 4.07Å; F650-I652 HydrophobicContact CE1-CG1 3.9Å; F650-I652 HydrophobicContact CE2-CG1 4.36Å; F650-I652 HydrophobicContact CZ-CD1 4.36Å; F650-I652 HydrophobicContact CZ-CG1 3.78Å; F650-A681 CarbonylContact C-O 3.5Å; F650-A681 VanDerWaalsContact CA-O 3.32Å; F650-A681 WeakPolarHBondContact CA-O 3.44Å; F650-A681 HydrophobicContact CD2-CB 4.06Å; F650-A681 WeakPolarHBondContact CD2-O 3.3Å; F650-L683 HydrophobicContact CE2-CB 3.71Å; F650-L683 HydrophobicContact CZ-CB 3.79Å; F650-L683 HydrophobicContact CZ-CD2 4.37Å
651	L	98.1	Very high	90	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.9	-179.7	175.4	66.4	0	0	0	109.5	L640 W643 L644 L653 L680 A681 L682 L683	L640-L651 HydrophobicContact CD2-CD2 4.43Å; W643-L651 HydrophobicContact CB-CD1 3.98Å; W643-L651 HydrophobicContact CG-CD1 4.46Å; L644-L651 HydrophobicContact CD2-CD2 4.33Å; L651-L653 HydrophobicContact CD1-CD2 4.26Å; L651-L653 HydrophobicContact CD2-CD2 3.95Å; L651-L653 HydrophobicContact CD2-CG 4.45Å; L651-L653 HydrophobicContact CG-CD2 3.85Å; L651-L653 HydrophobicContact CG-CG 4.22Å; L651-L680 HydrophobicContact CB-CD2 3.9Å; L651-L680 HydrophobicContact CB-CG 4.32Å; L651-L680 HydrophobicContact CD2-CD2 3.87Å; L651-A681 PolarHBondContact N-O 3.04Å; L651-L682 HydrophobicContact CB-CD2 3.69Å; L651-L682 HydrophobicContact CD2-CD2 4.1Å; L651-L682 HydrophobicContact CG-CD2 4.16Å; L651-L682 WeakPolarHBondContact O-CA 3.46Å; L651-L683 PolarHBondContact O-N 2.86Å
652	I	98.2	Very high	88.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.3	177.9	-54.6	161.8	0	0	0	107.6	A530 I533 F534 I564 G565 F566 C567 F650 L683	A530-I652 HydrophobicContact CB-CG2 3.7Å; I533-I652 HydrophobicContact CB-CD1 4.09Å; I533-I652 HydrophobicContact CG2-CD1 3.38Å; I533-I652 HydrophobicContact CG2-CG1 4.46Å; F534-I652 HydrophobicContact CB-CD1 4.39Å; I564-I652 HydrophobicContact CG2-CD1 4.01Å; G565-I652 PolarHBondContact O-N 2.85Å; F566-I652 WeakPolarHBondContact CA-O 3.36Å; F566-I652 HydrophobicContact CD2-CB 3.88Å; F566-I652 HydrophobicContact CD2-CG2 3.76Å; F566-I652 HydrophobicContact CE2-CG2 4.11Å; C567-I652 PolarHBondContact N-O 3.35Å; F650-I652 HydrophobicContact CE1-CD1 4.07Å; F650-I652 HydrophobicContact CE1-CG1 3.9Å; F650-I652 HydrophobicContact CE2-CG1 4.36Å; F650-I652 HydrophobicContact CZ-CD1 4.36Å; F650-I652 HydrophobicContact CZ-CG1 3.78Å; I652-L683 CarbonylContact C-O 3.52Å; I652-L683 WeakPolarHBondContact CA-O 3.03Å; I652-L683 HydrophobicContact CG1-CB 4.31Å; I652-L683 HydrophobicContact CG1-CD2 4.36Å; I652-L683 HydrophobicContact CG2-CB 4.47Å; I652-L683 HydrophobicContact CG2-CD2 4.11Å; I652-L683 HydrophobicContact CG2-CG 4.45Å
653	L	97.2	Very high	87.1	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	107.6	-179.2	-61.7	-178.3	0	0	0	108.1	C567 L640 L651 P656 I672 L683 V684 I685	C567-L653 HydrophobicContact CB-CD2 3.83Å; L640-L653 HydrophobicContact CD2-CD2 3.54Å; L651-L653 HydrophobicContact CD1-CD2 4.26Å; L651-L653 HydrophobicContact CD2-CD2 3.95Å; L651-L653 HydrophobicContact CD2-CG 4.45Å; L651-L653 HydrophobicContact CG-CD2 3.85Å; L651-L653 HydrophobicContact CG-CG 4.22Å; L653-P656 HydrophobicContact CB-CB 4.09Å; L653-P656 HydrophobicContact CB-CG 4.06Å; L653-I672 HydrophobicContact CD1-CD1 3.73Å; L653-I672 HydrophobicContact CD1-CG1 3.57Å; L653-L683 PolarHBondContact N-O 3.33Å; L653-V684 HydrophobicContact CB-CG1 4.43Å; L653-V684 HydrophobicContact CB-CG2 4.31Å; L653-V684 HydrophobicContact CD1-CG2 4.24Å; L653-V684 WeakPolarHBondContact O-CA 3.07Å; L653-I685 PolarHBondContact O-N 2.85Å
654	D	94.8	Very high	86	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	111.2	-179.6	-163.1	0.6	0	0	0	110.4	T527 F566 C567 P568 E569 I685	T527-D654 WeakPolarHBondContact CG2-OD2 3.41Å; F566-D654 HydrophobicContact CE2-CB 4.01Å; C567-D654 VanDerWaalsContact O-CB 3.31Å; C567-D654 WeakPolarHBondContact O-CB 3.4Å; C567-D654 PolarHBondContact O-N 2.87Å; P568-D654 CarbonylContact C-O 3.39Å; E569-D654 WeakPolarHBondContact CA-O 3.29Å; E569-D654 HydrophobicContact CB-CB 4.35Å; E569-D654 PolarHBondContact N-O 3.5Å; D654-I685 HydrophobicContact CB-CD1 4.04Å; D654-I685 WeakPolarHBondContact OD1-CB 3.28Å; D654-I685 WeakPolarHBondContact OD1-CD1 3.39Å; D654-I685 WeakPolarHBondContact OD1-CG2 3.37Å
655	E	88.8	Confident	85.2	Confident	8 Å²	8	27.7 Å²	27.7	4%	0.037	13%	0.131	C	C	.	.	S	Bend	trans	47.3	54.5	-176.9	-60.1	-81.7	-178.6	0	0	112	R526 E569 T657 R658 I685 S687	R526-E655 IonicContact CZ-OE1 3.62Å; R526-E655 IonicContact NH1-OE1 3.63Å; R526-E655 PolarHBondContact NH1-OE1 3.16Å; R526-E655 IonicContact NH2-OE1 3.25Å; R526-E655 PolarHBondContact NH2-OE1 3Å; E569-E655 HydrophobicContact CB-CB 4.45Å; E569-E655 HydrophobicContact CB-CG 4.49Å; E569-E655 HydrophobicContact CG-CB 4.11Å; E569-E655 HydrophobicContact CG-CG 3.99Å; E655-T657 PolarHBondContact O-N 3.13Å; E655-R658 HydrophobicContact CB-CB 3.9Å; E655-R658 WeakPolarHBondContact O-CB 3.43Å; E655-R658 PolarHBondContact O-N 3.38Å; E655-I685 VanDerWaalsContact CA-O 3.3Å; E655-I685 WeakPolarHBondContact CA-O 3.21Å; E655-I685 PolarHBondContact N-O 2.91Å; E655-S687 VanDerWaalsContact CD-N 3.29Å; E655-S687 VanDerWaalsContact CD-OG 3.29Å; E655-S687 WeakPolarHBondContact OE1-CB 3.28Å; E655-S687 PolarHBondContact OE1-N 2.84Å; E655-S687 PolarHBondContact OE1-OG 2.82Å; E655-S687 PolarHBondContact OE2-N 3.35Å; E655-S687 PolarHBondContact OE2-OG 2.9Å
656	P	89.8	Confident	84.2	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.8	-166.7	26.2	-34.9	0	0	0	114.8	Q636 L653 I668 I672 V684 I685	Q636-P656 WeakPolarHBondContact CG-O 3.18Å; Q636-P656 PolarHBondContact NE2-O 2.61Å; L653-P656 HydrophobicContact CB-CB 4.09Å; L653-P656 HydrophobicContact CB-CG 4.06Å; P656-I668 HydrophobicContact CB-CG2 4.22Å; P656-I672 HydrophobicContact CB-CD1 4.28Å; P656-I672 HydrophobicContact CG-CD1 3.92Å; P656-V684 HydrophobicContact CG-CG1 3.99Å; P656-I685 WeakPolarHBondContact CD-O 3.45Å
657	T	84.6	Confident	83.7	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.018	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	1.4	-177.4	48.8	0	0	0	0	112.8	E655 G659 I660 H665 I668 I669 E691	E655-T657 PolarHBondContact O-N 3.13Å; T657-G659 PolarHBondContact O-N 3.05Å; T657-I660 WeakPolarHBondContact O-CG1 3.45Å; T657-H665 WeakPolarHBondContact CB-ND1 3.21Å; T657-I668 HydrophobicContact CG2-CG2 4.18Å; T657-I669 HydrophobicContact CG2-CG1 4.33Å; T657-E691 WeakPolarHBondContact CB-OE1 3.38Å; T657-E691 WeakPolarHBondContact CG2-OE1 3.14Å; T657-E691 VanDerWaalsContact OG1-CD 3.24Å; T657-E691 PolarHBondContact OG1-OE1 2.86Å; T657-E691 PolarHBondContact OG1-OE2 3.18Å
658	R	76.9	Confident	83.4	Confident	116 Å²	116	20.1 Å²	20.1	44%	0.438	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	128.4	-175.5	-177.1	178.7	-175.6	-166.6	10.9	112.3	E569 R571 E655 I660	E569-R658 VanDerWaalsContact CD-NH1 3.3Å; E569-R658 IonicContact OE1-CZ 3.21Å; E569-R658 IonicContact OE1-NH1 3.26Å; E569-R658 PolarHBondContact OE1-NH1 3.45Å; E569-R658 IonicContact OE1-NH2 3.22Å; R571-R658 PolarHBondContact NH1-O 3.18Å; E655-R658 HydrophobicContact CB-CB 3.9Å; E655-R658 WeakPolarHBondContact O-CB 3.43Å; E655-R658 PolarHBondContact O-N 3.38Å; R658-I660 PolarHBondContact O-N 2.66Å; R658-I660 VanDerWaalsContact O-N 3.13Å
659	G	68.5	Low	83	Confident	27 Å²	27	20 Å²	20	28%	0.278	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	27.1	173.4	0	0	0	0	0	113.7	R571 T657	R571-G659 PolarHBondContact NH2-O 2.83Å; T657-G659 PolarHBondContact O-N 3.05Å
660	I	72.8	Confident	82.5	Confident	12 Å²	12	22.3 Å²	22.3	6%	0.062	11%	0.108	C	C	.	.	S	Bend	trans	-106.7	159.2	165.8	74.1	-177.1	0	0	0	108.6	Q636 T657 R658 A664 H665 I668	Q636-I660 HydrophobicContact CB-CG2 4.49Å; T657-I660 WeakPolarHBondContact O-CG1 3.45Å; R658-I660 PolarHBondContact O-N 2.66Å; R658-I660 VanDerWaalsContact O-N 3.13Å; I660-A664 HydrophobicContact CB-CB 4.32Å; I660-A664 HydrophobicContact CD1-CB 4.1Å; I660-A664 HydrophobicContact CG1-CB 4.22Å; I660-H665 HydrophobicContact CD1-CB 4.45Å; I660-H665 HydrophobicContact CG1-CB 4.24Å; I660-I668 HydrophobicContact CD1-CB 4.36Å; I660-I668 HydrophobicContact CD1-CG1 3.7Å
661	D	64.9	Low	82	Confident	23 Å²	23	23.5 Å²	23.5	12%	0.123	11%	0.114	C	C	.	.			trans	-70.3	158.5	-179.2	64.6	89.3	0	0	0	112.4	N271 G663 A664 H665	N271-D661 WeakPolarHBondContact ND2-CB 3.38Å; N271-D661 PolarHBondContact ND2-OD2 2.88Å; D661-G663 VanDerWaalsContact C-N 3.25Å; D661-G663 PolarHBondContact O-N 3.03Å; D661-G663 PolarHBondContact OD1-N 3.29Å; D661-A664 CarbonylContact O-C 3.36Å; D661-A664 PolarHBondContact O-N 3.25Å; D661-A664 VanDerWaalsContact O-N 3.11Å; D661-A664 PolarHBondContact OD1-N 2.97Å; D661-A664 WeakPolarHBondContact OD2-CB 3.47Å; D661-H665 WeakPolarHBondContact O-CB 3.25Å; D661-H665 PolarHBondContact O-N 3.35Å
662	V	65.7	Low	81.7	Confident	17 Å²	17	23.6 Å²	23.6	10%	0.103	12%	0.115	C	C	.	.	H	α-helix	trans	-58.6	-34.7	-175.6	-174.2	0	0	0	0	112.9	V465 M468 L469 H665 A666	V465-V662 HydrophobicContact CG1-CG1 4.1Å; M468-V662 HydrophobicContact CE-CB 4.1Å; M468-V662 HydrophobicContact CE-CG2 3.36Å; M468-V662 HydrophobicContact SD-CG2 4.09Å; L469-V662 HydrophobicContact CD1-CG1 4.03Å; L469-V662 HydrophobicContact CD2-CB 4.45Å; L469-V662 HydrophobicContact CD2-CG1 3.74Å; L469-V662 HydrophobicContact CG-CG1 3.72Å; V662-H665 WeakPolarHBondContact O-CB 3.38Å; V662-H665 PolarHBondContact O-N 3.02Å; V662-A666 PolarHBondContact O-N 3.2Å; V662-A666 VanDerWaalsContact O-N 3.09Å
663	G	65.2	Low	81.2	Confident	8 Å²	8	25.8 Å²	25.8	8%	0.082	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-50.2	175.7	0	0	0	0	0	111.4	D661 H665 A666 E667	D661-G663 VanDerWaalsContact C-N 3.25Å; D661-G663 PolarHBondContact O-N 3.03Å; D661-G663 PolarHBondContact OD1-N 3.29Å; G663-H665 VanDerWaalsContact C-N 3.33Å; G663-H665 PolarHBondContact O-N 2.96Å; G663-A666 PolarHBondContact O-N 2.92Å; G663-E667 WeakPolarHBondContact O-CG 3.48Å; G663-E667 PolarHBondContact O-N 2.91Å; G663-E667 VanDerWaalsContact O-N 3.14Å
664	A	73.5	Confident	80.8	Confident	7 Å²	7	29.4 Å²	29.4	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-39.7	174.2	0	0	0	0	0	112.6	I660 D661 A666 E667 I668	I660-A664 HydrophobicContact CB-CB 4.32Å; I660-A664 HydrophobicContact CD1-CB 4.1Å; I660-A664 HydrophobicContact CG1-CB 4.22Å; D661-A664 CarbonylContact O-C 3.36Å; D661-A664 PolarHBondContact O-N 3.25Å; D661-A664 VanDerWaalsContact O-N 3.11Å; D661-A664 PolarHBondContact OD1-N 2.97Å; D661-A664 WeakPolarHBondContact OD2-CB 3.47Å; A664-A666 PolarHBondContact O-N 2.88Å; A664-E667 PolarHBondContact O-N 3.31Å; A664-E667 VanDerWaalsContact O-N 3.16Å; A664-I668 VanDerWaalsContact O-CG1 3.29Å; A664-I668 WeakPolarHBondContact O-CG1 3.34Å; A664-I668 PolarHBondContact O-N 2.97Å
665	H	78.4	Confident	80.6	Confident	35 Å²	35	30.5 Å²	30.5	16%	0.162	15%	0.153	C	C	.	.	H	α-helix	trans	-54	-51.7	174.4	173.3	122.1	0	0	0	110.8	T657 I660 D661 V662 G663 E667 I668 I669 E688 E691	T657-H665 WeakPolarHBondContact CB-ND1 3.21Å; I660-H665 HydrophobicContact CD1-CB 4.45Å; I660-H665 HydrophobicContact CG1-CB 4.24Å; D661-H665 WeakPolarHBondContact O-CB 3.25Å; D661-H665 PolarHBondContact O-N 3.35Å; V662-H665 WeakPolarHBondContact O-CB 3.38Å; V662-H665 PolarHBondContact O-N 3.02Å; G663-H665 VanDerWaalsContact C-N 3.33Å; G663-H665 PolarHBondContact O-N 2.96Å; H665-E667 VanDerWaalsContact C-N 3.3Å; H665-E667 PolarHBondContact O-N 3.03Å; H665-I668 PolarHBondContact O-N 3.27Å; H665-I669 VanDerWaalsContact CD2-CD1 3.5Å; H665-I669 WeakPolarHBondContact CD2-CD1 3.42Å; H665-I669 WeakPolarHBondContact NE2-CD1 3.26Å; H665-I669 WeakPolarHBondContact O-CG1 3.22Å; H665-I669 PolarHBondContact O-N 3.12Å; H665-E688 IonicContact CE1-OE2 2.88Å; H665-E688 PolarHBondContact CE1-OE2 3.46Å; H665-E688 VanDerWaalsContact CE1-OE2 3.31Å; H665-E691 IonicContact CE1-OE1 3.63Å; H665-E691 PolarHBondContact CE1-OE1 3.32Å; H665-E691 IonicContact ND1-OE1 3.65Å; H665-E691 PolarHBondContact ND1-OE1 2.95Å; H665-E691 IonicContact NE2-OE1 3.36Å
666	A	75.6	Confident	80.7	Confident	4 Å²	4	30.2 Å²	30.2	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-34.3	178.2	0	0	0	0	0	113.1	L469 V662 G663 A664 R670	L469-A666 HydrophobicContact CD1-CB 4.23Å; L469-A666 HydrophobicContact CD2-CB 4.38Å; V662-A666 PolarHBondContact O-N 3.2Å; V662-A666 VanDerWaalsContact O-N 3.09Å; G663-A666 PolarHBondContact O-N 2.92Å; A664-A666 PolarHBondContact O-N 2.88Å; A666-R670 WeakPolarHBondContact O-CG 3.24Å; A666-R670 PolarHBondContact O-N 3.2Å
667	E	82.3	Confident	80.5	Confident	73 Å²	73	32.7 Å²	32.7	34%	0.341	17%	0.173	S	C	.	.	H	α-helix	trans	-68.5	-39.1	174.6	-69.7	178.1	177	0	0	112.5	K637 G663 A664 H665 L671	K637-E667 WeakPolarHBondContact CE-OE2 3.14Å; K637-E667 IonicContact NZ-OE2 3.76Å; K637-E667 PolarHBondContact NZ-OE2 3.04Å; G663-E667 WeakPolarHBondContact O-CG 3.48Å; G663-E667 PolarHBondContact O-N 2.91Å; G663-E667 VanDerWaalsContact O-N 3.14Å; A664-E667 PolarHBondContact O-N 3.31Å; A664-E667 VanDerWaalsContact O-N 3.16Å; H665-E667 VanDerWaalsContact C-N 3.3Å; H665-E667 PolarHBondContact O-N 3.03Å; E667-L671 WeakPolarHBondContact O-CB 3.47Å; E667-L671 PolarHBondContact O-N 2.71Å
668	I	87.7	Confident	80.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-43.5	176.7	-67.6	-65	0	0	0	110.8	Q636 K637 L640 P656 T657 I660 A664 H665 R670 L671 I672	Q636-I668 HydrophobicContact CB-CD1 4.37Å; Q636-I668 HydrophobicContact CG-CD1 4.02Å; Q636-I668 HydrophobicContact CG-CG1 4.48Å; K637-I668 HydrophobicContact CG-CD1 3.9Å; L640-I668 HydrophobicContact CD1-CD1 3.57Å; P656-I668 HydrophobicContact CB-CG2 4.22Å; T657-I668 HydrophobicContact CG2-CG2 4.18Å; I660-I668 HydrophobicContact CD1-CB 4.36Å; I660-I668 HydrophobicContact CD1-CG1 3.7Å; A664-I668 VanDerWaalsContact O-CG1 3.29Å; A664-I668 WeakPolarHBondContact O-CG1 3.34Å; A664-I668 PolarHBondContact O-N 2.97Å; H665-I668 PolarHBondContact O-N 3.27Å; I668-R670 PolarHBondContact O-N 3.21Å; I668-L671 WeakPolarHBondContact O-CB 3.32Å; I668-L671 PolarHBondContact O-N 3.47Å; I668-L671 VanDerWaalsContact O-N 3.16Å; I668-I672 HydrophobicContact CG2-CD1 3.95Å; I668-I672 HydrophobicContact CG2-CG1 4.44Å; I668-I672 WeakPolarHBondContact O-CG1 3.16Å; I668-I672 PolarHBondContact O-N 2.94Å
669	I	87	Confident	81.4	Confident	11 Å²	11	34.1 Å²	34.1	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-49.4	175.2	-70.6	179.8	0	0	0	111	L478 T657 H665 L671 I672 E673 E691 Y695	L478-I669 HydrophobicContact CD2-CG2 4.38Å; T657-I669 HydrophobicContact CG2-CG1 4.33Å; H665-I669 VanDerWaalsContact CD2-CD1 3.5Å; H665-I669 WeakPolarHBondContact CD2-CD1 3.42Å; H665-I669 WeakPolarHBondContact NE2-CD1 3.26Å; H665-I669 WeakPolarHBondContact O-CG1 3.22Å; H665-I669 PolarHBondContact O-N 3.12Å; I669-L671 VanDerWaalsContact C-N 3.25Å; I669-L671 PolarHBondContact O-N 2.76Å; I669-I672 WeakPolarHBondContact O-CB 3.44Å; I669-I672 PolarHBondContact O-N 3Å; I669-I672 VanDerWaalsContact O-N 3.12Å; I669-E673 PolarHBondContact O-N 3.3Å; I669-E691 HydrophobicContact CD1-CG 4.35Å; I669-Y695 HydrophobicContact CD1-CE1 4.46Å; I669-Y695 HydrophobicContact CG1-CE1 4.16Å; I669-Y695 HydrophobicContact CG2-CD1 3.98Å; I669-Y695 HydrophobicContact CG2-CE1 4.35Å
670	R	85	Confident	82.6	Confident	121 Å²	121	33.7 Å²	33.7	46%	0.457	18%	0.184	S	C	.	.	H	α-helix	trans	-60.2	-37	177.2	-73.7	177.3	178.2	-153.7	-4.2	112.6	A666 I668 T674	A666-R670 WeakPolarHBondContact O-CG 3.24Å; A666-R670 PolarHBondContact O-N 3.2Å; I668-R670 PolarHBondContact O-N 3.21Å; R670-T674 WeakPolarHBondContact O-CB 3.49Å; R670-T674 PolarHBondContact O-N 2.79Å; R670-T674 PolarHBondContact O-OG1 3.3Å
671	L	88.2	Confident	83.7	Confident	28 Å²	28	33.1 Å²	33.1	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-43.9	176.1	178.3	59.5	0	0	0	111.1	L616 L640 E667 I668 I669 E673 T674 L675	L616-L671 HydrophobicContact CD1-CD2 4.35Å; L616-L671 HydrophobicContact CD2-CD1 3.63Å; L616-L671 HydrophobicContact CD2-CD2 3.88Å; L616-L671 HydrophobicContact CD2-CG 4.44Å; L640-L671 HydrophobicContact CD1-CD2 3.68Å; E667-L671 WeakPolarHBondContact O-CB 3.47Å; E667-L671 PolarHBondContact O-N 2.71Å; I668-L671 WeakPolarHBondContact O-CB 3.32Å; I668-L671 PolarHBondContact O-N 3.47Å; I668-L671 VanDerWaalsContact O-N 3.16Å; I669-L671 VanDerWaalsContact C-N 3.25Å; I669-L671 PolarHBondContact O-N 2.76Å; L671-E673 VanDerWaalsContact C-N 3.34Å; L671-E673 PolarHBondContact O-N 3.21Å; L671-T674 PolarHBondContact O-N 3.36Å; L671-L675 HydrophobicContact CD1-CD1 4.07Å; L671-L675 HydrophobicContact CD1-CD2 4.45Å; L671-L675 HydrophobicContact CD1-CG 3.98Å; L671-L675 HydrophobicContact CG-CD1 3.93Å; L671-L675 HydrophobicContact CG-CG 4.32Å; L671-L675 WeakPolarHBondContact O-CB 3.28Å; L671-L675 WeakPolarHBondContact O-CG 3.15Å; L671-L675 PolarHBondContact O-N 3.01Å
672	I	90.7	Very high	85.3	Confident	1 Å²	1	32 Å²	32	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-55.8	-49.3	174.7	-73.3	171.2	0	0	0	110.5	I515 L653 P656 I668 I669 L675 C676 L682 V684 Y695	I515-I672 HydrophobicContact CD1-CG2 3.78Å; L653-I672 HydrophobicContact CD1-CD1 3.73Å; L653-I672 HydrophobicContact CD1-CG1 3.57Å; P656-I672 HydrophobicContact CB-CD1 4.28Å; P656-I672 HydrophobicContact CG-CD1 3.92Å; I668-I672 HydrophobicContact CG2-CD1 3.95Å; I668-I672 HydrophobicContact CG2-CG1 4.44Å; I668-I672 WeakPolarHBondContact O-CG1 3.16Å; I668-I672 PolarHBondContact O-N 2.94Å; I669-I672 WeakPolarHBondContact O-CB 3.44Å; I669-I672 PolarHBondContact O-N 3Å; I669-I672 VanDerWaalsContact O-N 3.12Å; I672-L675 PolarHBondContact O-N 2.85Å; I672-C676 WeakPolarHBondContact O-CB 3.46Å; I672-C676 PolarHBondContact O-N 2.99Å; I672-L682 HydrophobicContact CG2-CD1 3.81Å; I672-L682 WeakPolarHBondContact O-CD1 3.43Å; I672-V684 HydrophobicContact CG2-CG2 4.44Å; I672-Y695 HydrophobicContact CG2-CD2 4.45Å
673	E	87.7	Confident	86.8	Confident	46 Å²	46	31.3 Å²	31.3	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-46.2	177.6	-72	172.2	173.5	0	0	112.2	I669 L671 C676 A677	I669-E673 PolarHBondContact O-N 3.3Å; L671-E673 VanDerWaalsContact C-N 3.34Å; L671-E673 PolarHBondContact O-N 3.21Å; E673-C676 PolarHBondContact O-N 3.24Å; E673-A677 WeakPolarHBondContact O-CB 3.29Å; E673-A677 PolarHBondContact O-N 2.78Å
674	T	88.4	Confident	88.3	Confident	77 Å²	77	30.9 Å²	30.9	47%	0.472	17%	0.166	S	C	.	.	H	α-helix	trans	-61.7	-46.9	179.4	-57.4	0	0	0	0	111.1	R670 L671 C676 A677 D678	R670-T674 WeakPolarHBondContact O-CB 3.49Å; R670-T674 PolarHBondContact O-N 2.79Å; R670-T674 PolarHBondContact O-OG1 3.3Å; L671-T674 PolarHBondContact O-N 3.36Å; T674-C676 VanDerWaalsContact C-N 3.27Å; T674-C676 PolarHBondContact O-N 2.93Å; T674-A677 PolarHBondContact O-N 2.89Å; T674-D678 PolarHBondContact O-N 2.77Å
675	L	90.7	Very high	89.3	Confident	23 Å²	23	30.6 Å²	30.6	12%	0.12	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-39.7	177.8	-71.1	170.9	0	0	0	111.5	L644 L671 I672 D678 L680	L644-L675 HydrophobicContact CD1-CD1 4.13Å; L644-L675 HydrophobicContact CD1-CD2 3.94Å; L644-L675 HydrophobicContact CD2-CD1 3.96Å; L644-L675 HydrophobicContact CD2-CD2 3.53Å; L644-L675 HydrophobicContact CD2-CG 4.38Å; L644-L675 HydrophobicContact CG-CD2 4.39Å; L671-L675 HydrophobicContact CD1-CD1 4.07Å; L671-L675 HydrophobicContact CD1-CD2 4.45Å; L671-L675 HydrophobicContact CD1-CG 3.98Å; L671-L675 HydrophobicContact CG-CD1 3.93Å; L671-L675 HydrophobicContact CG-CG 4.32Å; L671-L675 WeakPolarHBondContact O-CB 3.28Å; L671-L675 WeakPolarHBondContact O-CG 3.15Å; L671-L675 PolarHBondContact O-N 3.01Å; I672-L675 PolarHBondContact O-N 2.85Å; L675-D678 PolarHBondContact O-N 2.92Å; L675-L680 HydrophobicContact CB-CB 4.49Å; L675-L680 HydrophobicContact CB-CD2 4.06Å; L675-L680 WeakPolarHBondContact O-CB 3.33Å; L675-L680 PolarHBondContact O-N 2.82Å; L675-L680 VanDerWaalsContact O-N 3.12Å
676	C	90.9	Very high	89.8	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-69.2	-41.6	176.7	-164	0	0	0	0	112.2	R480 G513 I515 I672 E673 T674 D678 G679 L682	R480-C676 PolarHBondContact NH2-SG 2.59Å; G513-C676 VanDerWaalsContact CA-O 3.26Å; G513-C676 WeakPolarHBondContact CA-O 3.37Å; G513-C676 PolarHBondContact O-SG 2.84Å; G513-C676 VanDerWaalsContact O-SG 3.35Å; I515-C676 HydrophobicContact CD1-CB 3.77Å; I515-C676 HydrophobicContact CG1-CB 3.75Å; I515-C676 WeakPolarHBondContact CG1-SG 3.48Å; I672-C676 WeakPolarHBondContact O-CB 3.46Å; I672-C676 PolarHBondContact O-N 2.99Å; E673-C676 PolarHBondContact O-N 3.24Å; T674-C676 VanDerWaalsContact C-N 3.27Å; T674-C676 PolarHBondContact O-N 2.93Å; C676-D678 PolarHBondContact O-N 3.25Å; C676-G679 WeakPolarHBondContact O-CA 3.42Å; C676-G679 PolarHBondContact O-N 2.71Å; C676-L682 HydrophobicContact CB-CD1 3.84Å
677	A	87	Confident	89.7	Confident	54 Å²	54	32 Å²	32	45%	0.446	18%	0.177	S	C	.	.	H	α-helix	trans	-60.5	-33.4	174.7	0	0	0	0	0	112.3	T484 E673 T674 G679	T484-A677 HydrophobicContact CG2-CB 4.47Å; E673-A677 WeakPolarHBondContact O-CB 3.29Å; E673-A677 PolarHBondContact O-N 2.78Å; T674-A677 PolarHBondContact O-N 2.89Å; A677-G679 PolarHBondContact O-N 3.19Å
678	D	88	Confident	89.5	Confident	133 Å²	133	32.3 Å²	32.3	71%	0.711	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	0.3	171.8	-72.7	-15.5	0	0	0	113.5	T674 L675 C676	T674-D678 PolarHBondContact O-N 2.77Å; L675-D678 PolarHBondContact O-N 2.92Å; C676-D678 PolarHBondContact O-N 3.25Å
679	G	90.6	Very high	89	Confident	16 Å²	16	33.1 Å²	33.1	17%	0.165	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	6.5	173.7	0	0	0	0	0	115.6	P512 G513 C676 A677	P512-G679 WeakPolarHBondContact CA-O 3.38Å; G513-G679 PolarHBondContact N-O 2.83Å; C676-G679 WeakPolarHBondContact O-CA 3.42Å; C676-G679 PolarHBondContact O-N 2.71Å; A677-G679 PolarHBondContact O-N 3.19Å
680	L	94.7	Very high	88.6	Confident	18 Å²	18	37.7 Å²	37.7	9%	0.094	20%	0.204	C	C	.	.			trans	-69.4	132.4	177.1	-168.8	60.4	0	0	0	110.6	G513 L644 P648 L651 L675 L682	G513-L680 PolarHBondContact N-O 2.92Å; L644-L680 HydrophobicContact CD2-CD2 4.25Å; P648-L680 HydrophobicContact CB-CD1 4.43Å; P648-L680 HydrophobicContact CG-CD1 4.23Å; P648-L680 WeakPolarHBondContact O-CD1 3.34Å; L651-L680 HydrophobicContact CB-CD2 3.9Å; L651-L680 HydrophobicContact CB-CG 4.32Å; L651-L680 HydrophobicContact CD2-CD2 3.87Å; L675-L680 HydrophobicContact CB-CB 4.49Å; L675-L680 HydrophobicContact CB-CD2 4.06Å; L675-L680 WeakPolarHBondContact O-CB 3.33Å; L675-L680 PolarHBondContact O-N 2.82Å; L675-L680 VanDerWaalsContact O-N 3.12Å; L680-L682 HydrophobicContact CD2-CD2 3.73Å; L680-L682 HydrophobicContact CG-CD2 3.85Å; L680-L682 HydrophobicContact CG-CG 4.49Å
681	A	96.4	Very high	88.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.2	171.1	0	0	0	0	0	109.1	V491 V510 R511 Q649 F650 L651	V491-A681 HydrophobicContact CB-CB 4.05Å; V491-A681 HydrophobicContact CG1-CB 4.48Å; V491-A681 HydrophobicContact CG2-CB 4.01Å; V510-A681 HydrophobicContact CB-CB 4.34Å; V510-A681 HydrophobicContact CG1-CB 3.75Å; R511-A681 WeakPolarHBondContact O-CB 3.31Å; Q649-A681 VanDerWaalsContact O-CB 3.28Å; Q649-A681 WeakPolarHBondContact O-CB 3.39Å; Q649-A681 PolarHBondContact O-N 2.81Å; Q649-A681 VanDerWaalsContact O-N 3.07Å; F650-A681 CarbonylContact C-O 3.5Å; F650-A681 VanDerWaalsContact CA-O 3.32Å; F650-A681 WeakPolarHBondContact CA-O 3.44Å; F650-A681 HydrophobicContact CD2-CB 4.06Å; F650-A681 WeakPolarHBondContact CD2-O 3.3Å; L651-A681 PolarHBondContact N-O 3.04Å
682	L	97.1	Very high	88.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.8	-175.1	-62.7	-178	0	0	0	111.7	E514 I515 V516 L651 I672 C676 L680 V684	E514-L682 PolarHBondContact O-N 3.43Å; I515-L682 HydrophobicContact CB-CB 4.44Å; I515-L682 HydrophobicContact CD1-CD1 4.11Å; I515-L682 HydrophobicContact CG1-CB 4.2Å; I515-L682 HydrophobicContact CG1-CD1 4.12Å; I515-L682 HydrophobicContact CG2-CB 4.2Å; V516-L682 PolarHBondContact N-O 2.8Å; L651-L682 HydrophobicContact CB-CD2 3.69Å; L651-L682 HydrophobicContact CD2-CD2 4.1Å; L651-L682 HydrophobicContact CG-CD2 4.16Å; L651-L682 WeakPolarHBondContact O-CA 3.46Å; I672-L682 HydrophobicContact CG2-CD1 3.81Å; I672-L682 WeakPolarHBondContact O-CD1 3.43Å; C676-L682 HydrophobicContact CB-CD1 3.84Å; L680-L682 HydrophobicContact CD2-CD2 3.73Å; L680-L682 HydrophobicContact CG-CD2 3.85Å; L680-L682 HydrophobicContact CG-CG 4.49Å; L682-V684 HydrophobicContact CB-CG2 4.21Å
683	L	98.1	Very high	88.1	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.2	161.3	176.6	67.7	0	0	0	107.1	L508 V516 L518 I533 F650 L651 I652 L653	L508-L683 HydrophobicContact CD2-CD1 4.38Å; L508-L683 HydrophobicContact CD2-CD2 4.08Å; V516-L683 HydrophobicContact CB-CD1 4.21Å; V516-L683 HydrophobicContact CG1-CD1 4.1Å; V516-L683 CarbonylContact O-C 3.59Å; V516-L683 WeakPolarHBondContact O-CA 3.34Å; L518-L683 HydrophobicContact CB-CD1 4.31Å; I533-L683 HydrophobicContact CD1-CD2 3.78Å; F650-L683 HydrophobicContact CE2-CB 3.71Å; F650-L683 HydrophobicContact CZ-CB 3.79Å; F650-L683 HydrophobicContact CZ-CD2 4.37Å; L651-L683 PolarHBondContact O-N 2.86Å; I652-L683 CarbonylContact C-O 3.52Å; I652-L683 WeakPolarHBondContact CA-O 3.03Å; I652-L683 HydrophobicContact CG1-CB 4.31Å; I652-L683 HydrophobicContact CG1-CD2 4.36Å; I652-L683 HydrophobicContact CG2-CB 4.47Å; I652-L683 HydrophobicContact CG2-CD2 4.11Å; I652-L683 HydrophobicContact CG2-CG 4.45Å; L653-L683 PolarHBondContact N-O 3.33Å
684	V	97	Very high	87.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117	-177.5	-173.9	0	0	0	0	109.6	I515 V516 G517 L518 L653 P656 I672 L682 L692 Y695	I515-V684 HydrophobicContact CG2-CB 4.29Å; I515-V684 HydrophobicContact CG2-CG2 3.66Å; V516-V684 PolarHBondContact O-N 2.86Å; G517-V684 CarbonylContact C-O 3.24Å; G517-V684 VanDerWaalsContact CA-O 3.3Å; G517-V684 WeakPolarHBondContact CA-O 3.47Å; L518-V684 PolarHBondContact N-O 2.62Å; L653-V684 HydrophobicContact CB-CG1 4.43Å; L653-V684 HydrophobicContact CB-CG2 4.31Å; L653-V684 HydrophobicContact CD1-CG2 4.24Å; L653-V684 WeakPolarHBondContact O-CA 3.07Å; P656-V684 HydrophobicContact CG-CG1 3.99Å; I672-V684 HydrophobicContact CG2-CG2 4.44Å; L682-V684 HydrophobicContact CB-CG2 4.21Å; V684-L692 HydrophobicContact CB-CD2 4.47Å; V684-L692 HydrophobicContact CG1-CD2 4.35Å; V684-Y695 HydrophobicContact CB-CE2 4.09Å; V684-Y695 HydrophobicContact CG1-CE2 3.92Å; V684-Y695 VanDerWaalsContact CG1-OH 3.3Å; V684-Y695 WeakPolarHBondContact CG1-OH 3.23Å; V684-Y695 HydrophobicContact CG2-CE2 4.24Å
685	I	94.5	Very high	87.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.5	171.5	-51	174.3	0	0	0	106.9	L518 R526 A530 L653 D654 E655 P656	L518-I685 HydrophobicContact CB-CG1 4Å; L518-I685 HydrophobicContact CD2-CD1 4.14Å; L518-I685 HydrophobicContact CD2-CG1 3.96Å; R526-I685 HydrophobicContact CB-CD1 4.33Å; R526-I685 HydrophobicContact CB-CG2 3.56Å; R526-I685 HydrophobicContact CG-CG2 4.13Å; R526-I685 WeakPolarHBondContact O-CD1 3.47Å; A530-I685 HydrophobicContact CB-CD1 3.65Å; L653-I685 PolarHBondContact O-N 2.85Å; D654-I685 HydrophobicContact CB-CD1 4.04Å; D654-I685 WeakPolarHBondContact OD1-CB 3.28Å; D654-I685 WeakPolarHBondContact OD1-CD1 3.39Å; D654-I685 WeakPolarHBondContact OD1-CG2 3.37Å; E655-I685 VanDerWaalsContact CA-O 3.3Å; E655-I685 WeakPolarHBondContact CA-O 3.21Å; E655-I685 PolarHBondContact N-O 2.91Å; P656-I685 WeakPolarHBondContact CD-O 3.45Å
686	S	87.6	Confident	87.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.153	C	C	.	.			trans	-144.9	142.2	171.9	-174.7	0	0	0	0	110.4	L518 R526 E688 E691	L518-S686 PolarHBondContact O-N 2.88Å; R526-S686 PolarHBondContact NH1-O 2.75Å; S686-E688 PolarHBondContact OG-N 2.89Å; S686-E688 PolarHBondContact OG-O 3.35Å; S686-E691 VanDerWaalsContact CB-OE2 3.27Å; S686-E691 WeakPolarHBondContact CB-OE2 3.32Å; S686-E691 PolarHBondContact OG-OE2 2.91Å
687	S	75.2	Confident	87.7	Confident	68 Å²	68	27.1 Å²	27.1	48%	0.476	16%	0.158	S	C	.	.	S	Bend	trans	-84.2	-20.8	167.7	48.7	0	0	0	0	111.7	E655 L689	E655-S687 VanDerWaalsContact CD-N 3.29Å; E655-S687 VanDerWaalsContact CD-OG 3.29Å; E655-S687 WeakPolarHBondContact OE1-CB 3.28Å; E655-S687 PolarHBondContact OE1-N 2.84Å; E655-S687 PolarHBondContact OE1-OG 2.82Å; E655-S687 PolarHBondContact OE2-N 3.35Å; E655-S687 PolarHBondContact OE2-OG 2.9Å; S687-L689 PolarHBondContact O-N 2.92Å
688	E	77.5	Confident	88	Confident	81 Å²	81	25.6 Å²	25.6	38%	0.379	14%	0.14	S	C	.	.			trans	-82.8	98.4	173.6	-64.7	-172.3	-152.7	0	0	109.1	H665 S686 E690 E691	H665-E688 IonicContact CE1-OE2 2.88Å; H665-E688 PolarHBondContact CE1-OE2 3.46Å; H665-E688 VanDerWaalsContact CE1-OE2 3.31Å; S686-E688 PolarHBondContact OG-N 2.89Å; S686-E688 PolarHBondContact OG-O 3.35Å; E688-E690 PolarHBondContact O-N 3.36Å; E688-E691 HydrophobicContact CB-CB 4.44Å; E688-E691 HydrophobicContact CB-CG 3.68Å; E688-E691 WeakPolarHBondContact O-CB 3.43Å; E688-E691 PolarHBondContact O-N 3.01Å; E688-E691 VanDerWaalsContact O-N 3.09Å
689	L	76.3	Confident	88.3	Confident	17 Å²	17	19.2 Å²	19.2	9%	0.089	11%	0.106	C	C	.	.	H	α-helix	trans	-64.5	-31.2	-171.9	-58.4	-172	0	0	0	112.2	A519 S687 E691 L692 V693 V718 I721 M722	A519-L689 HydrophobicContact CB-CD2 4.01Å; S687-L689 PolarHBondContact O-N 2.92Å; L689-E691 VanDerWaalsContact C-N 3.25Å; L689-E691 PolarHBondContact O-N 3.22Å; L689-L692 PolarHBondContact O-N 3.15Å; L689-V693 WeakPolarHBondContact O-CG2 3.24Å; L689-V693 PolarHBondContact O-N 3.33Å; L689-V718 HydrophobicContact CB-CG1 4.15Å; L689-V718 HydrophobicContact CB-CG2 4.23Å; L689-V718 HydrophobicContact CD1-CG1 4.17Å; L689-I721 HydrophobicContact CB-CD1 4.4Å; L689-I721 HydrophobicContact CD1-CB 4.23Å; L689-I721 HydrophobicContact CD1-CG2 3.75Å; L689-I721 HydrophobicContact CD2-CG2 3.78Å; L689-I721 HydrophobicContact CG-CG2 4.3Å; L689-M722 HydrophobicContact CD1-CG 3.72Å; L689-M722 HydrophobicContact CD1-SD 3.53Å; L689-M722 VanDerWaalsContact CD1-SD 3.53Å
690	E	78.7	Confident	88.6	Confident	107 Å²	107	18.7 Å²	18.7	50%	0.5	10%	0.1	S	C	.	.	H	α-helix	trans	-58.4	-36.2	175.2	-70.8	71.8	-163.6	0	0	111.9	E688 G694 V718	E688-E690 PolarHBondContact O-N 3.36Å; E690-G694 PolarHBondContact O-N 3.12Å; E690-V718 HydrophobicContact CG-CG2 4.06Å
691	E	83.6	Confident	88.4	Confident	5 Å²	5	17.9 Å²	17.9	2%	0.023	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-47.7	176.2	-63.2	-178.4	167.2	0	0	111.1	T657 H665 I669 S686 E688 L689 V693 G694 Y695	T657-E691 WeakPolarHBondContact CB-OE1 3.38Å; T657-E691 WeakPolarHBondContact CG2-OE1 3.14Å; T657-E691 VanDerWaalsContact OG1-CD 3.24Å; T657-E691 PolarHBondContact OG1-OE1 2.86Å; T657-E691 PolarHBondContact OG1-OE2 3.18Å; H665-E691 IonicContact CE1-OE1 3.63Å; H665-E691 PolarHBondContact CE1-OE1 3.32Å; H665-E691 IonicContact ND1-OE1 3.65Å; H665-E691 PolarHBondContact ND1-OE1 2.95Å; H665-E691 IonicContact NE2-OE1 3.36Å; I669-E691 HydrophobicContact CD1-CG 4.35Å; S686-E691 VanDerWaalsContact CB-OE2 3.27Å; S686-E691 WeakPolarHBondContact CB-OE2 3.32Å; S686-E691 PolarHBondContact OG-OE2 2.91Å; E688-E691 HydrophobicContact CB-CB 4.44Å; E688-E691 HydrophobicContact CB-CG 3.68Å; E688-E691 WeakPolarHBondContact O-CB 3.43Å; E688-E691 PolarHBondContact O-N 3.01Å; E688-E691 VanDerWaalsContact O-N 3.09Å; L689-E691 VanDerWaalsContact C-N 3.25Å; L689-E691 PolarHBondContact O-N 3.22Å; E691-V693 PolarHBondContact O-N 3.47Å; E691-G694 WeakPolarHBondContact O-CA 3.01Å; E691-G694 PolarHBondContact O-N 2.88Å; E691-Y695 HydrophobicContact CB-CE1 3.8Å; E691-Y695 WeakPolarHBondContact O-CD1 3.47Å; E691-Y695 WeakPolarHBondContact O-CE1 3.24Å; E691-Y695 PolarHBondContact O-N 3.02Å
692	L	86.3	Confident	88.1	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.4	-42.2	-179.7	-61.9	-178.2	0	0	0	111.3	A519 V684 L689 G694 Y695 A696 V699	A519-L692 HydrophobicContact CB-CD1 3.76Å; V684-L692 HydrophobicContact CB-CD2 4.47Å; V684-L692 HydrophobicContact CG1-CD2 4.35Å; L689-L692 PolarHBondContact O-N 3.15Å; L692-G694 PolarHBondContact O-N 3.28Å; L692-Y695 HydrophobicContact CD2-CE2 4.18Å; L692-Y695 PolarHBondContact O-N 3.2Å; L692-A696 WeakPolarHBondContact O-CA 3.24Å; L692-A696 WeakPolarHBondContact O-CB 3.22Å; L692-A696 PolarHBondContact O-N 3.09Å; L692-V699 HydrophobicContact CB-CG2 3.92Å; L692-V699 HydrophobicContact CD1-CG1 4.14Å; L692-V699 HydrophobicContact CD1-CG2 4.43Å
693	V	83.4	Confident	87.3	Confident	43 Å²	43	21.7 Å²	21.7	26%	0.261	11%	0.11	S	C	.	.	H	α-helix	trans	-61.2	-30.6	173.1	175	0	0	0	0	110.9	L689 E691 L716 V718 I721	L689-V693 WeakPolarHBondContact O-CG2 3.24Å; L689-V693 PolarHBondContact O-N 3.33Å; E691-V693 PolarHBondContact O-N 3.47Å; V693-L716 HydrophobicContact CG2-CG 4.23Å; V693-V718 HydrophobicContact CG2-CG2 3.88Å; V693-I721 HydrophobicContact CG2-CD1 3.75Å
694	G	82	Confident	86.4	Confident	4 Å²	4	27.8 Å²	27.8	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-43	-179.8	0	0	0	0	0	115	L478 E690 E691 L692	L478-G694 CarbonylContact C-O 3.57Å; L478-G694 WeakPolarHBondContact CA-O 3.37Å; L478-G694 CarbonylContact O-C 3.54Å; L478-G694 WeakPolarHBondContact O-CA 3.41Å; E690-G694 PolarHBondContact O-N 3.12Å; E691-G694 WeakPolarHBondContact O-CA 3.01Å; E691-G694 PolarHBondContact O-N 2.88Å; L692-G694 PolarHBondContact O-N 3.28Å
695	Y	86	Confident	85.8	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-134	-9.8	-169.9	55	-113.6	0	0	0	115.8	I515 I669 I672 V684 E691 L692	I515-Y695 HydrophobicContact CD1-CD2 4.04Å; I515-Y695 HydrophobicContact CD1-CG 4.43Å; I515-Y695 HydrophobicContact CG2-CD2 3.84Å; I515-Y695 HydrophobicContact CG2-CE2 4.15Å; I669-Y695 HydrophobicContact CD1-CE1 4.46Å; I669-Y695 HydrophobicContact CG1-CE1 4.16Å; I669-Y695 HydrophobicContact CG2-CD1 3.98Å; I669-Y695 HydrophobicContact CG2-CE1 4.35Å; I672-Y695 HydrophobicContact CG2-CD2 4.45Å; V684-Y695 HydrophobicContact CB-CE2 4.09Å; V684-Y695 HydrophobicContact CG1-CE2 3.92Å; V684-Y695 VanDerWaalsContact CG1-OH 3.3Å; V684-Y695 WeakPolarHBondContact CG1-OH 3.23Å; V684-Y695 HydrophobicContact CG2-CE2 4.24Å; E691-Y695 HydrophobicContact CB-CE1 3.8Å; E691-Y695 WeakPolarHBondContact O-CD1 3.47Å; E691-Y695 WeakPolarHBondContact O-CE1 3.24Å; E691-Y695 PolarHBondContact O-N 3.02Å; L692-Y695 HydrophobicContact CD2-CE2 4.18Å; L692-Y695 PolarHBondContact O-N 3.2Å
696	A	90.3	Very high	85.5	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.185	C	C	.	.			trans	-78.1	141.7	-177.4	0	0	0	0	0	112.3	I515 L692 R698 V699 L713 L716	I515-A696 CarbonylContact O-C 3.45Å; L692-A696 WeakPolarHBondContact O-CA 3.24Å; L692-A696 WeakPolarHBondContact O-CB 3.22Å; L692-A696 PolarHBondContact O-N 3.09Å; A696-R698 VanDerWaalsContact C-N 3.34Å; A696-V699 HydrophobicContact CB-CG2 3.92Å; A696-L713 WeakPolarHBondContact O-CD1 3.34Å; A696-L716 HydrophobicContact CB-CD2 4.33Å
697	D	91.1	Very high	85.7	Confident	19 Å²	19	41 Å²	41	10%	0.102	20%	0.198	C	C	.	.	S	Bend	trans	-76.3	-25.7	171.7	-74.9	-65.7	0	0	0	113.3	R480 E514 I515 L713	R480-D697 IonicContact CZ-OD1 3.79Å; R480-D697 IonicContact CZ-OD2 2.67Å; R480-D697 VanDerWaalsContact CZ-OD2 3.25Å; R480-D697 IonicContact NH1-OD1 2.66Å; R480-D697 PolarHBondContact NH1-OD1 2.78Å; R480-D697 IonicContact NH1-OD2 3.3Å; R480-D697 PolarHBondContact NH1-OD2 3.03Å; R480-D697 IonicContact NH2-OD2 2.77Å; E514-D697 VanDerWaalsContact CA-OD2 3.3Å; E514-D697 WeakPolarHBondContact CA-OD2 3.34Å; E514-D697 HydrophobicContact CG-CB 3.92Å; I515-D697 PolarHBondContact N-OD2 3.24Å; I515-D697 WeakPolarHBondContact O-CB 3.36Å; I515-D697 PolarHBondContact O-N 3.25Å; D697-L713 VanDerWaalsContact O-CB 3.24Å; D697-L713 WeakPolarHBondContact O-CB 3.41Å; D697-L713 PolarHBondContact O-N 2.93Å
698	R	93.7	Very high	86.3	Confident	22 Å²	22	40.6 Å²	40.6	8%	0.083	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	151.2	177.7	59.4	-160.5	-170.3	82.9	8.7	108.1	E509 E514 V516 G517 A696 E710 I711	E509-R698 PolarHBondContact O-NH2 2.99Å; E514-R698 WeakPolarHBondContact OE1-CD 3.31Å; E514-R698 IonicContact OE1-CZ 3.25Å; E514-R698 IonicContact OE1-NE 3.99Å; E514-R698 PolarHBondContact OE1-NE 3.01Å; V516-R698 HydrophobicContact CG1-CG 4.32Å; V516-R698 HydrophobicContact CG2-CG 4.17Å; G517-R698 PolarHBondContact N-O 3.01Å; A696-R698 VanDerWaalsContact C-N 3.34Å; R698-E710 WeakPolarHBondContact CD-OE1 3.46Å; R698-E710 IonicContact CZ-OE1 3.6Å; R698-E710 IonicContact NE-OE1 3.39Å; R698-E710 IonicContact NH1-OE1 2.68Å; R698-E710 PolarHBondContact NH1-OE1 3.01Å; R698-E710 IonicContact NH1-OE2 2.83Å; R698-E710 PolarHBondContact NH1-OE2 3.47Å; R698-I711 CarbonylContact C-O 3.56Å; R698-I711 VanDerWaalsContact CA-O 3.23Å; R698-I711 WeakPolarHBondContact CA-O 3.23Å; R698-I711 WeakPolarHBondContact CB-O 3.44Å
699	V	94.5	Very high	87	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.7	178.6	177.5	0	0	0	0	109.6	G517 A519 L692 A696 I701 E710 I711 L716 I721	G517-V699 CarbonylContact O-C 3.5Å; G517-V699 WeakPolarHBondContact O-CA 3.31Å; A519-V699 HydrophobicContact CB-CG1 3.59Å; L692-V699 HydrophobicContact CB-CG2 3.92Å; L692-V699 HydrophobicContact CD1-CG1 4.14Å; L692-V699 HydrophobicContact CD1-CG2 4.43Å; A696-V699 HydrophobicContact CB-CG2 3.92Å; V699-I701 HydrophobicContact CG1-CD1 3.9Å; V699-E710 CarbonylContact O-C 3.5Å; V699-E710 WeakPolarHBondContact O-CA 3.24Å; V699-I711 PolarHBondContact N-O 3.46Å; V699-I711 PolarHBondContact O-N 3.43Å; V699-L716 HydrophobicContact CB-CD1 3.78Å; V699-L716 HydrophobicContact CG2-CD1 3.45Å; V699-L716 VanDerWaalsContact CG2-CD1 3.45Å; V699-L716 HydrophobicContact CG2-CD2 3.88Å; V699-L716 HydrophobicContact CG2-CG 4.31Å; V699-I721 HydrophobicContact CG1-CD1 4.35Å; V699-I721 HydrophobicContact CG1-CG1 4.42Å; V699-I721 HydrophobicContact CG2-CD1 4.4Å
700	I	97.1	Very high	87.9	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.9	171.7	-63.3	173	0	0	0	108.3	L508 V516 G517 L518 A519 M702 Q707 E710	L508-I700 HydrophobicContact CD1-CD1 3.47Å; L508-I700 VanDerWaalsContact CD1-CD1 3.47Å; V516-I700 HydrophobicContact CG1-CD1 3.72Å; V516-I700 HydrophobicContact CG1-CG1 4.04Å; G517-I700 PolarHBondContact O-N 3.16Å; L518-I700 WeakPolarHBondContact CA-O 3.08Å; L518-I700 HydrophobicContact CD1-CB 3.73Å; L518-I700 HydrophobicContact CD1-CG2 3.73Å; A519-I700 PolarHBondContact N-O 3.09Å; I700-M702 HydrophobicContact CG2-SD 4.17Å; I700-Q707 HydrophobicContact CG2-CG 3.68Å; I700-E710 HydrophobicContact CG1-CG 4.18Å
701	I	90.7	Very high	88.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.9	-178.3	-50.3	-61.2	0	0	0	109.7	A519 V699 V708 A709 I711 I721 A724 I725	A519-I701 HydrophobicContact CB-CD1 4.06Å; V699-I701 HydrophobicContact CG1-CD1 3.9Å; I701-V708 HydrophobicContact CB-CG2 4.03Å; I701-V708 HydrophobicContact CG2-CG2 3.72Å; I701-V708 WeakPolarHBondContact O-CG2 3.35Å; I701-V708 PolarHBondContact O-N 3.05Å; I701-A709 HydrophobicContact CB-CB 4.07Å; I701-A709 HydrophobicContact CG1-CB 4.03Å; I701-A709 PolarHBondContact N-O 3.19Å; I701-I711 HydrophobicContact CD1-CD1 4Å; I701-I711 HydrophobicContact CG1-CD1 4.15Å; I701-I711 HydrophobicContact CG1-CG1 4.32Å; I701-I721 HydrophobicContact CD1-CB 4.41Å; I701-I721 HydrophobicContact CD1-CG1 4.48Å; I701-I721 HydrophobicContact CD1-CG2 3.8Å; I701-A724 HydrophobicContact CD1-CB 4.43Å; I701-A724 HydrophobicContact CG1-CB 3.85Å; I701-A724 HydrophobicContact CG2-CB 4.4Å; I701-I725 HydrophobicContact CG2-CG1 3.68Å
702	M	88.4	Confident	89	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135	176.2	-59	-55.4	-68.5	0	0	110.4	I503 L518 A519 G520 S524 R526 I700 K706 Q707	I503-M702 HydrophobicContact CD1-CE 3.59Å; I503-M702 HydrophobicContact CG1-CE 4.33Å; L518-M702 HydrophobicContact CD1-CG 3.45Å; L518-M702 VanDerWaalsContact CD1-CG 3.45Å; L518-M702 HydrophobicContact CD1-SD 3.81Å; L518-M702 HydrophobicContact CD2-CG 4.12Å; L518-M702 HydrophobicContact CG-CG 3.72Å; A519-M702 PolarHBondContact O-N 2.95Å; G520-M702 WeakPolarHBondContact CA-O 3.34Å; S524-M702 VanDerWaalsContact CB-O 3.24Å; S524-M702 WeakPolarHBondContact CB-O 3.44Å; R526-M702 HydrophobicContact CG-CB 4.14Å; R526-M702 HydrophobicContact CG-CG 4.21Å; I700-M702 HydrophobicContact CG2-SD 4.17Å; M702-K706 WeakPolarHBondContact CA-O 3.13Å; M702-Q707 HydrophobicContact SD-CB 4Å
703	R	80.8	Confident	89	Confident	78 Å²	78	44 Å²	44	29%	0.294	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	136.9	172.9	-177.8	172.5	64.5	173	-2.1	110	R705 K706 V708 I725 A726 A727	R703-R705 PolarHBondContact O-N 3.36Å; R703-R705 VanDerWaalsContact O-N 3.09Å; R703-K706 PolarHBondContact N-O 3.21Å; R703-K706 WeakPolarHBondContact O-CA 3.43Å; R703-K706 WeakPolarHBondContact O-CB 3.25Å; R703-K706 PolarHBondContact O-N 3.27Å; R703-K706 VanDerWaalsContact O-O 3.12Å; R703-V708 HydrophobicContact CB-CG1 4Å; R703-V708 HydrophobicContact CB-CG2 4Å; R703-I725 WeakPolarHBondContact CD-O 2.99Å; R703-I725 PolarHBondContact NH1-O 2.83Å; R703-A726 PolarHBondContact NH1-O 2.97Å; R703-A727 VanDerWaalsContact CZ-C 3.48Å; R703-A727 PolarHBondContact NH1-O 3.46Å; R703-A727 PolarHBondContact NH1-OXT 3.17Å; R703-A727 PolarHBondContact NH2-O 2.85Å; R703-A727 PolarHBondContact NH2-OXT 3.35Å
704	D	79.1	Confident	89.2	Confident	128 Å²	128	46.9 Å²	46.9	68%	0.684	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.4	42.1	179.3	-58.8	-36.1	0	0	0	113.8	K706	D704-K706 VanDerWaalsContact C-N 3.26Å; D704-K706 PolarHBondContact O-N 2.96Å
705	R	84.7	Confident	89.5	Confident	102 Å²	102	53.1 Å²	53.1	39%	0.385	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	28.2	-179.3	-60.8	168.3	169.9	-157.8	-1.5	113.8	G501 T502 I503 A504 S524 E528 R703	G501-R705 PolarHBondContact O-NH1 3.43Å; T502-R705 VanDerWaalsContact O-CD 3.22Å; T502-R705 WeakPolarHBondContact O-CD 3.44Å; I503-R705 VanDerWaalsContact CD1-C 3.5Å; I503-R705 HydrophobicContact CD1-CB 3.96Å; I503-R705 VanDerWaalsContact CD1-O 3.23Å; I503-R705 WeakPolarHBondContact CD1-O 3.5Å; A504-R705 VanDerWaalsContact CB-O 3.24Å; A504-R705 WeakPolarHBondContact CB-O 3.47Å; A504-R705 PolarHBondContact N-O 2.9Å; S524-R705 WeakPolarHBondContact O-CA 3.39Å; S524-R705 PolarHBondContact O-N 3.33Å; E528-R705 IonicContact OE1-NH2 3.04Å; R703-R705 PolarHBondContact O-N 3.36Å; R703-R705 VanDerWaalsContact O-N 3.09Å
706	K	87.5	Confident	89.4	Confident	120 Å²	120	54 Å²	54	52%	0.522	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.3	176.8	-64.7	173.7	-177.8	176.9	0	110.4	A504 M702 R703 D704 V708	A504-K706 HydrophobicContact CB-CB 4.39Å; A504-K706 HydrophobicContact CB-CG 3.57Å; M702-K706 WeakPolarHBondContact CA-O 3.13Å; R703-K706 PolarHBondContact N-O 3.21Å; R703-K706 WeakPolarHBondContact O-CA 3.43Å; R703-K706 WeakPolarHBondContact O-CB 3.25Å; R703-K706 PolarHBondContact O-N 3.27Å; R703-K706 VanDerWaalsContact O-O 3.12Å; D704-K706 VanDerWaalsContact C-N 3.26Å; D704-K706 PolarHBondContact O-N 2.96Å; K706-V708 HydrophobicContact CB-CG1 4.28Å; K706-V708 PolarHBondContact O-N 2.92Å
707	Q	92.8	Very high	89	Confident	57 Å²	57	56 Å²	56	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	119.3	162.4	176.7	176.5	2.4	0	0	108.2	F506 D507 I700 M702	F506-Q707 HydrophobicContact CB-CB 4.1Å; D507-Q707 PolarHBondContact O-NE2 3.3Å; D507-Q707 PolarHBondContact O-OE1 3.45Å; D507-Q707 VanDerWaalsContact O-OE1 3.04Å; I700-Q707 HydrophobicContact CG2-CG 3.68Å; M702-Q707 HydrophobicContact SD-CB 4Å
708	V	88.6	Confident	88.2	Confident	59 Å²	59	57 Å²	57	36%	0.358	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-28.5	-174.6	-65.3	0	0	0	0	113.8	I701 R703 K706	I701-V708 HydrophobicContact CB-CG2 4.03Å; I701-V708 HydrophobicContact CG2-CG2 3.72Å; I701-V708 WeakPolarHBondContact O-CG2 3.35Å; I701-V708 PolarHBondContact O-N 3.05Å; R703-V708 HydrophobicContact CB-CG1 4Å; R703-V708 HydrophobicContact CB-CG2 4Å; K706-V708 HydrophobicContact CB-CG1 4.28Å; K706-V708 PolarHBondContact O-N 2.92Å
709	A	91.2	Very high	87.1	Confident	36 Å²	36	59.9 Å²	59.9	30%	0.298	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	165.1	179.3	0	0	0	0	0	111.1	I701 A724	I701-A709 HydrophobicContact CB-CB 4.07Å; I701-A709 HydrophobicContact CG1-CB 4.03Å; I701-A709 PolarHBondContact N-O 3.19Å; A709-A724 HydrophobicContact CB-CB 4.26Å
710	E	95.8	Very high	86.3	Confident	95 Å²	95	61.2 Å²	61.2	44%	0.444	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129.3	170.2	-179	179.4	144.7	0	0	108.2	R698 V699 I700	R698-E710 WeakPolarHBondContact CD-OE1 3.46Å; R698-E710 IonicContact CZ-OE1 3.6Å; R698-E710 IonicContact NE-OE1 3.39Å; R698-E710 IonicContact NH1-OE1 2.68Å; R698-E710 PolarHBondContact NH1-OE1 3.01Å; R698-E710 IonicContact NH1-OE2 2.83Å; R698-E710 PolarHBondContact NH1-OE2 3.47Å; V699-E710 CarbonylContact O-C 3.5Å; V699-E710 WeakPolarHBondContact O-CA 3.24Å; I700-E710 HydrophobicContact CG1-CG 4.18Å
711	I	92.7	Very high	85.3	Confident	12 Å²	12	61 Å²	61	6%	0.062	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.9	-177.3	-54.4	177.3	0	0	0	108.2	R698 V699 I701 E715 L716 A720 I721 A724	R698-I711 CarbonylContact C-O 3.56Å; R698-I711 VanDerWaalsContact CA-O 3.23Å; R698-I711 WeakPolarHBondContact CA-O 3.23Å; R698-I711 WeakPolarHBondContact CB-O 3.44Å; V699-I711 PolarHBondContact N-O 3.46Å; V699-I711 PolarHBondContact O-N 3.43Å; I701-I711 HydrophobicContact CD1-CD1 4Å; I701-I711 HydrophobicContact CG1-CD1 4.15Å; I701-I711 HydrophobicContact CG1-CG1 4.32Å; I711-E715 HydrophobicContact CG2-CB 4.15Å; I711-L716 HydrophobicContact CB-CD1 4.28Å; I711-L716 HydrophobicContact CG2-CB 4.36Å; I711-L716 HydrophobicContact CG2-CD1 4Å; I711-A720 HydrophobicContact CD1-CB 4.25Å; I711-I721 HydrophobicContact CD1-CB 4.39Å; I711-I721 HydrophobicContact CD1-CG1 3.96Å; I711-A724 HydrophobicContact CD1-CB 3.97Å
712	P	92.1	Very high	84.2	Confident	57 Å²	57	65.7 Å²	65.7	37%	0.37	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	155.9	177.6	31.8	-35	0	0	0	111.5	A714 E715 L716	P712-A714 PolarHBondContact O-N 3.29Å; P712-E715 HydrophobicContact CG-CB 4.31Å; P712-E715 HydrophobicContact CG-CG 4.29Å; P712-E715 PolarHBondContact O-N 2.81Å; P712-L716 PolarHBondContact O-N 2.68Å; P712-L716 VanDerWaalsContact O-N 3.09Å
713	L	87.3	Confident	83.5	Confident	80 Å²	80	70.9 Å²	70.9	42%	0.419	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-45.1	-40.4	178.6	-177.1	61.5	0	0	0	114.4	A696 D697 E715 L716	A696-L713 WeakPolarHBondContact O-CD1 3.34Å; D697-L713 VanDerWaalsContact O-CB 3.24Å; D697-L713 WeakPolarHBondContact O-CB 3.41Å; D697-L713 PolarHBondContact O-N 2.93Å; L713-E715 PolarHBondContact O-N 3.02Å; L713-L716 HydrophobicContact CD1-CD2 4.44Å; L713-L716 WeakPolarHBondContact O-CB 3.45Å; L713-L716 PolarHBondContact O-N 2.85Å
714	A	86.4	Confident	83.3	Confident	104 Å²	104	68 Å²	68	86%	0.86	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-64.4	-24.6	-176.8	0	0	0	0	0	113.9	P712	P712-A714 PolarHBondContact O-N 3.29Å
715	E	88	Confident	82.8	Confident	136 Å²	136	62.7 Å²	62.7	64%	0.636	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-110.1	-1.6	179.5	-63.2	175	-158.9	0	0	111.7	I711 P712 L713 S717 A720	I711-E715 HydrophobicContact CG2-CB 4.15Å; P712-E715 HydrophobicContact CG-CB 4.31Å; P712-E715 HydrophobicContact CG-CG 4.29Å; P712-E715 PolarHBondContact O-N 2.81Å; L713-E715 PolarHBondContact O-N 3.02Å; E715-S717 PolarHBondContact O-N 3.49Å; E715-A720 WeakPolarHBondContact O-CB 3.43Å
716	L	85.2	Confident	81.6	Confident	19 Å²	19	61.6 Å²	61.6	10%	0.099	36%	0.363	C	S	.	.			trans	-71.5	115.6	-169.9	-173	60.9	0	0	0	110.9	V693 A696 V699 I711 P712 L713 I721	V693-L716 HydrophobicContact CG2-CG 4.23Å; A696-L716 HydrophobicContact CB-CD2 4.33Å; V699-L716 HydrophobicContact CB-CD1 3.78Å; V699-L716 HydrophobicContact CG2-CD1 3.45Å; V699-L716 VanDerWaalsContact CG2-CD1 3.45Å; V699-L716 HydrophobicContact CG2-CD2 3.88Å; V699-L716 HydrophobicContact CG2-CG 4.31Å; I711-L716 HydrophobicContact CB-CD1 4.28Å; I711-L716 HydrophobicContact CG2-CB 4.36Å; I711-L716 HydrophobicContact CG2-CD1 4Å; P712-L716 PolarHBondContact O-N 2.68Å; P712-L716 VanDerWaalsContact O-N 3.09Å; L713-L716 HydrophobicContact CD1-CD2 4.44Å; L713-L716 WeakPolarHBondContact O-CB 3.45Å; L713-L716 PolarHBondContact O-N 2.85Å; L716-I721 HydrophobicContact CD1-CD1 3.87Å; L716-I721 HydrophobicContact CD1-CG1 3.98Å
717	S	81.1	Confident	80.3	Confident	45 Å²	45	60.6 Å²	60.6	32%	0.315	38%	0.377	S	S	.	.			trans	-153.8	157.3	175.4	64.9	0	0	0	0	109.9	E715 A720 I721	E715-S717 PolarHBondContact O-N 3.49Å; S717-A720 WeakPolarHBondContact O-CB 3.43Å; S717-A720 PolarHBondContact O-N 3.43Å; S717-A720 VanDerWaalsContact O-N 3.09Å; S717-A720 VanDerWaalsContact OG-CB 3.25Å; S717-A720 WeakPolarHBondContact OG-CB 3.43Å; S717-A720 PolarHBondContact OG-N 3.28Å; S717-I721 WeakPolarHBondContact O-CG1 3.42Å; S717-I721 PolarHBondContact O-N 2.83Å
718	V	74	Confident	79.7	Confident	38 Å²	38	60.8 Å²	60.8	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-55.6	-46.9	177	177.4	0	0	0	0	111.3	L689 E690 V693 A720 I721 M722	L689-V718 HydrophobicContact CB-CG1 4.15Å; L689-V718 HydrophobicContact CB-CG2 4.23Å; L689-V718 HydrophobicContact CD1-CG1 4.17Å; E690-V718 HydrophobicContact CG-CG2 4.06Å; V693-V718 HydrophobicContact CG2-CG2 3.88Å; V718-A720 VanDerWaalsContact C-N 3.33Å; V718-A720 PolarHBondContact O-N 3.04Å; V718-I721 PolarHBondContact O-N 3.47Å; V718-M722 HydrophobicContact CG1-CG 4.33Å; V718-M722 WeakPolarHBondContact O-CG 3.36Å; V718-M722 PolarHBondContact O-N 2.93Å
719	P	70.9	Confident	79.2	Confident	83 Å²	83	60.8 Å²	60.8	54%	0.539	38%	0.384	S	S	.	.	H	α-helix	trans	-60.7	-37.5	175.3	-25.1	36.1	0	0	0	113.9	M722 N723	P719-M722 PolarHBondContact O-N 3.09Å; P719-N723 WeakPolarHBondContact O-CB 3.43Å; P719-N723 PolarHBondContact O-N 2.87Å; P719-N723 PolarHBondContact O-ND2 2.94Å
720	A	77.2	Confident	78.6	Confident	28 Å²	28	62.2 Å²	62.2	23%	0.231	39%	0.388	C	S	.	.	H	α-helix	trans	-65	-44	178	0	0	0	0	0	111.7	I711 E715 S717 V718 N723 A724	I711-A720 HydrophobicContact CD1-CB 4.25Å; E715-A720 WeakPolarHBondContact O-CB 3.43Å; S717-A720 WeakPolarHBondContact O-CB 3.43Å; S717-A720 PolarHBondContact O-N 3.43Å; S717-A720 VanDerWaalsContact O-N 3.09Å; S717-A720 VanDerWaalsContact OG-CB 3.25Å; S717-A720 WeakPolarHBondContact OG-CB 3.43Å; S717-A720 PolarHBondContact OG-N 3.28Å; V718-A720 VanDerWaalsContact C-N 3.33Å; V718-A720 PolarHBondContact O-N 3.04Å; A720-N723 PolarHBondContact O-N 2.96Å; A720-A724 WeakPolarHBondContact O-CB 3.11Å; A720-A724 PolarHBondContact O-N 3.26Å
721	I	76.9	Confident	77.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-60.5	-49.1	174.8	-63.9	168.7	0	0	0	110.2	A519 L689 V693 V699 I701 I711 L716 S717 V718 N723 A724 I725	A519-I721 HydrophobicContact CB-CG2 3.8Å; L689-I721 HydrophobicContact CB-CD1 4.4Å; L689-I721 HydrophobicContact CD1-CB 4.23Å; L689-I721 HydrophobicContact CD1-CG2 3.75Å; L689-I721 HydrophobicContact CD2-CG2 3.78Å; L689-I721 HydrophobicContact CG-CG2 4.3Å; V693-I721 HydrophobicContact CG2-CD1 3.75Å; V699-I721 HydrophobicContact CG1-CD1 4.35Å; V699-I721 HydrophobicContact CG1-CG1 4.42Å; V699-I721 HydrophobicContact CG2-CD1 4.4Å; I701-I721 HydrophobicContact CD1-CB 4.41Å; I701-I721 HydrophobicContact CD1-CG1 4.48Å; I701-I721 HydrophobicContact CD1-CG2 3.8Å; I711-I721 HydrophobicContact CD1-CB 4.39Å; I711-I721 HydrophobicContact CD1-CG1 3.96Å; L716-I721 HydrophobicContact CD1-CD1 3.87Å; L716-I721 HydrophobicContact CD1-CG1 3.98Å; S717-I721 WeakPolarHBondContact O-CG1 3.42Å; S717-I721 PolarHBondContact O-N 2.83Å; V718-I721 PolarHBondContact O-N 3.47Å; I721-N723 PolarHBondContact O-N 2.86Å; I721-A724 PolarHBondContact O-N 2.84Å; I721-I725 HydrophobicContact CG2-CD1 3.82Å; I721-I725 HydrophobicContact CG2-CG1 4.43Å; I721-I725 WeakPolarHBondContact O-CG1 3.5Å; I721-I725 PolarHBondContact O-N 2.72Å
722	M	68.8	Low	76.6	Confident	99 Å²	99	63.3 Å²	63.3	49%	0.488	41%	0.405	S	S	.	.	H	α-helix	trans	-59.8	-44.4	179.8	-73.8	-65.4	-70.5	0	0	112.5	L689 V718 P719 A724 I725 A726	L689-M722 HydrophobicContact CD1-CG 3.72Å; L689-M722 HydrophobicContact CD1-SD 3.53Å; L689-M722 VanDerWaalsContact CD1-SD 3.53Å; V718-M722 HydrophobicContact CG1-CG 4.33Å; V718-M722 WeakPolarHBondContact O-CG 3.36Å; V718-M722 PolarHBondContact O-N 2.93Å; P719-M722 PolarHBondContact O-N 3.09Å; M722-A724 VanDerWaalsContact C-N 3.33Å; M722-A724 PolarHBondContact O-N 2.75Å; M722-I725 PolarHBondContact O-N 3.24Å; M722-A726 WeakPolarHBondContact O-CB 3.31Å; M722-A726 PolarHBondContact O-N 2.88Å
723	N	72.3	Confident	75.6	Confident	112 Å²	112	63.7 Å²	63.7	60%	0.599	41%	0.408	S	S	*	.	H	α-helix	trans	-63.1	-39.9	176.6	-74.2	-23.2	0	0	0	111.9	P719 A720 I721 I725 A726 A727	P719-N723 WeakPolarHBondContact O-CB 3.43Å; P719-N723 PolarHBondContact O-N 2.87Å; P719-N723 PolarHBondContact O-ND2 2.94Å; A720-N723 PolarHBondContact O-N 2.96Å; I721-N723 PolarHBondContact O-N 2.86Å; N723-I725 VanDerWaalsContact C-N 3.35Å; N723-A726 PolarHBondContact O-N 2.95Å; N723-A727 VanDerWaalsContact O-CB 3.31Å; N723-A727 WeakPolarHBondContact O-CB 3.2Å; N723-A727 PolarHBondContact O-N 2.89Å
724	A	76	Confident	74.8	Confident	18 Å²	18	62.6 Å²	62.6	15%	0.149	41%	0.407	C	S	.	.	H	α-helix	trans	-71.2	-28.1	177.9	0	0	0	0	0	113.3	I701 A709 I711 A720 I721 M722	I701-A724 HydrophobicContact CD1-CB 4.43Å; I701-A724 HydrophobicContact CG1-CB 3.85Å; I701-A724 HydrophobicContact CG2-CB 4.4Å; A709-A724 HydrophobicContact CB-CB 4.26Å; I711-A724 HydrophobicContact CD1-CB 3.97Å; A720-A724 WeakPolarHBondContact O-CB 3.11Å; A720-A724 PolarHBondContact O-N 3.26Å; I721-A724 PolarHBondContact O-N 2.84Å; M722-A724 VanDerWaalsContact C-N 3.33Å; M722-A724 PolarHBondContact O-N 2.75Å
725	I	68.8	Low	73.9	Confident	17 Å²	17	59.4 Å²	59.4	9%	0.087	37%	0.372	C	S	.	.	H	α-helix	trans	-70.1	-38.9	170.5	-69.3	169.4	0	0	0	110.2	L521 I701 R703 I721 M722 N723	L521-I725 HydrophobicContact CD1-CG2 4.1Å; L521-I725 HydrophobicContact CD2-CG2 4.32Å; L521-I725 HydrophobicContact CG-CG2 3.79Å; I701-I725 HydrophobicContact CG2-CG1 3.68Å; R703-I725 WeakPolarHBondContact CD-O 2.99Å; R703-I725 PolarHBondContact NH1-O 2.83Å; I721-I725 HydrophobicContact CG2-CD1 3.82Å; I721-I725 HydrophobicContact CG2-CG1 4.43Å; I721-I725 WeakPolarHBondContact O-CG1 3.5Å; I721-I725 PolarHBondContact O-N 2.72Å; M722-I725 PolarHBondContact O-N 3.24Å; N723-I725 VanDerWaalsContact C-N 3.35Å
726	A	60.9	Low	72.7	Confident	79 Å²	79	53 Å²	53	65%	0.653	35%	0.35	S	S	*	.	H	α-helix	trans	-77.9	-35.9	-176.7	0	0	0	0	0	114.4	R703 M722 N723	R703-A726 PolarHBondContact NH1-O 2.97Å; M722-A726 WeakPolarHBondContact O-CB 3.31Å; M722-A726 PolarHBondContact O-N 2.88Å; N723-A726 PolarHBondContact O-N 2.95Å
727	A	60.5	Low	71.6	Confident	98 Å²	98	56.1 Å²	56.1	81%	0.81	37%	0.373	S	S	*	.			trans	-74.2	0	179.4	0	0	0	0	0	111.4	R703 N723	R703-A727 VanDerWaalsContact CZ-C 3.48Å; R703-A727 PolarHBondContact NH1-O 3.46Å; R703-A727 PolarHBondContact NH1-OXT 3.17Å; R703-A727 PolarHBondContact NH2-O 2.85Å; R703-A727 PolarHBondContact NH2-OXT 3.35Å; N723-A727 VanDerWaalsContact O-CB 3.31Å; N723-A727 WeakPolarHBondContact O-CB 3.2Å; N723-A727 PolarHBondContact O-N 2.89Å

Retrieved 727 of 727 residues in 414.4 ms (Link to these results)

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