G4VFW1_SCHMA Loading...

Putative aaa family ATPase

AlphaFold DB , UniProt , Accession G4VFW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 691 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	23.7	Very low	37.4	Very low	234 Å²	234	108.5 Å²	108.5	100%	1.153	66%	0.661	S	S	*	*				0	105.7	0	-79.7	176	173.4	0	0	108.3
2	N	28.6	Very low	39.1	Very low	138 Å²	138	112.9 Å²	112.9	74%	0.738	67%	0.669	S	S	*	*			trans	176.4	74.1	141.3	-88.9	-5.3	0	0	0	106.8	I4	N2-I4 HydrophobicContact CB-CD1 4.37Å; N2-I4 HydrophobicContact CB-CG1 4.36Å; N2-I4 PolarHBondContact O-N 3.28Å
3	D	27.8	Very low	40.6	Very low	179 Å²	179	107.2 Å²	107.2	96%	0.957	63%	0.633	S	S	*	*			trans	-66.1	77.1	156	-80.2	-39.3	0	0	0	107.5
4	I	28.8	Very low	42	Very low	134 Å²	134	102.6 Å²	102.6	69%	0.687	60%	0.601	S	S	*	*			trans	-98.9	106.1	164.6	-61.8	172.4	0	0	0	104.6	N2 C6	N2-I4 HydrophobicContact CB-CD1 4.37Å; N2-I4 HydrophobicContact CB-CG1 4.36Å; N2-I4 PolarHBondContact O-N 3.28Å; I4-C6 PolarHBondContact O-N 3.07Å
5	G	30.6	Very low	43.2	Very low	78 Å²	78	109.1 Å²	109.1	80%	0.804	61%	0.612	S	S	*	*			trans	-48	97.4	-179.2	0	0	0	0	0	111.4	G7	G5-G7 VanDerWaalsContact C-N 3.34Å; G5-G7 PolarHBondContact O-N 3.43Å
6	C	34.8	Very low	44.8	Very low	112 Å²	112	105.9 Å²	105.9	76%	0.757	60%	0.604	S	S	*	*			trans	-73.3	97.2	172.7	-158.9	0	0	0	0	106.4	I4 Y8	I4-C6 PolarHBondContact O-N 3.07Å; C6-Y8 PolarHBondContact O-N 3.02Å
7	G	38.2	Very low	46.5	Very low	62 Å²	62	106.7 Å²	106.7	64%	0.639	60%	0.596	S	S	*	*			trans	-48.8	130.6	174.8	0	0	0	0	0	110.4	G5 G9	G5-G7 VanDerWaalsContact C-N 3.34Å; G5-G7 PolarHBondContact O-N 3.43Å; G7-G9 PolarHBondContact O-N 2.76Å
8	Y	39.1	Very low	48.2	Very low	107 Å²	107	100.9 Å²	100.9	42%	0.42	56%	0.564	S	S	.	*			trans	-62.9	88.5	-173.8	-168.7	-99.7	0	0	0	112	C6 S10 S57 D61	C6-Y8 PolarHBondContact O-N 3.02Å; Y8-S10 PolarHBondContact O-N 3.37Å; Y8-S10 VanDerWaalsContact O-N 3.16Å; Y8-S57 PolarHBondContact OH-O 2.7Å; Y8-D61 PolarHBondContact OH-OD2 3.01Å
9	G	45.3	Very low	49.8	Very low	32 Å²	32	97.1 Å²	97.1	33%	0.33	54%	0.541	S	S	.	.			trans	-82.1	75.6	169.9	0	0	0	0	0	111.2	G7 P11 Q12 I13	G7-G9 PolarHBondContact O-N 2.76Å; G9-P11 VanDerWaalsContact C-CD 3.48Å; G9-P11 VanDerWaalsContact O-N 3.13Å; G9-Q12 PolarHBondContact O-N 3.15Å; G9-I13 PolarHBondContact O-N 3.49Å
10	S	57.8	Low	51.2	Low	41 Å²	41	94.8 Å²	94.8	29%	0.287	53%	0.531	S	S	.	.	H	α-helix	trans	-48.6	-43.2	-164.3	100	0	0	0	0	115.8	Y8 Q14	Y8-S10 PolarHBondContact O-N 3.37Å; Y8-S10 VanDerWaalsContact O-N 3.16Å; S10-Q14 VanDerWaalsContact O-CB 3.27Å; S10-Q14 WeakPolarHBondContact O-CB 3.46Å; S10-Q14 WeakPolarHBondContact O-CG 3.37Å; S10-Q14 PolarHBondContact O-N 3.01Å; S10-Q14 PolarHBondContact O-NE2 3.48Å; S10-Q14 VanDerWaalsContact O-NE2 3.16Å; S10-Q14 PolarHBondContact OG-NE2 3.16Å
11	P	56.2	Low	52.6	Low	77 Å²	77	90.7 Å²	90.7	50%	0.5	51%	0.508	S	S	.	.	H	α-helix	trans	-79.4	-31.6	-173	-14.6	30.6	0	0	0	114.7	G9 R15	G9-P11 VanDerWaalsContact C-CD 3.48Å; G9-P11 VanDerWaalsContact O-N 3.13Å; P11-R15 PolarHBondContact O-N 2.66Å
12	Q	58.8	Low	55.3	Low	161 Å²	161	79.5 Å²	79.5	75%	0.752	45%	0.453	S	S	*	.	H	α-helix	trans	-76.6	-43.4	-176.1	-73.4	175.8	-15.3	0	0	110.7	G9 Q14 R15 A16	G9-Q12 PolarHBondContact O-N 3.15Å; Q12-Q14 VanDerWaalsContact C-N 3.32Å; Q12-Q14 PolarHBondContact O-N 3.23Å; Q12-R15 PolarHBondContact O-N 3.4Å; Q12-A16 WeakPolarHBondContact O-CB 3.49Å; Q12-A16 PolarHBondContact O-N 3.11Å; Q12-A16 VanDerWaalsContact O-N 3.11Å
13	I	57.6	Low	57.8	Low	39 Å²	39	76.6 Å²	76.6	20%	0.2	44%	0.435	C	S	.	.	H	α-helix	trans	-64.9	-38.5	174.5	-59.8	173.4	0	0	0	110.4	G9 R15 A16 Y17 W58	G9-I13 PolarHBondContact O-N 3.49Å; I13-R15 PolarHBondContact O-N 3.07Å; I13-A16 PolarHBondContact O-N 2.97Å; I13-Y17 HydrophobicContact CG2-CD2 4Å; I13-Y17 PolarHBondContact O-N 3.27Å; I13-W58 HydrophobicContact CG2-CH2 3.69Å; I13-W58 HydrophobicContact CG2-CZ2 4.4Å; I13-W58 HydrophobicContact CG2-CZ3 4.3Å
14	Q	60.2	Low	60.2	Low	42 Å²	42	72.6 Å²	72.6	20%	0.196	41%	0.41	C	S	.	.	I	π-helix	trans	-55.1	-48.7	175	-83.9	165.1	28.1	0	0	112.6	S10 Q12 L18 I19 D61	S10-Q14 VanDerWaalsContact O-CB 3.27Å; S10-Q14 WeakPolarHBondContact O-CB 3.46Å; S10-Q14 WeakPolarHBondContact O-CG 3.37Å; S10-Q14 PolarHBondContact O-N 3.01Å; S10-Q14 PolarHBondContact O-NE2 3.48Å; S10-Q14 VanDerWaalsContact O-NE2 3.16Å; S10-Q14 PolarHBondContact OG-NE2 3.16Å; Q12-Q14 VanDerWaalsContact C-N 3.32Å; Q12-Q14 PolarHBondContact O-N 3.23Å; Q14-L18 HydrophobicContact CG-CD1 4.3Å; Q14-L18 PolarHBondContact O-N 2.78Å; Q14-I19 PolarHBondContact O-N 3.16Å; Q14-D61 HydrophobicContact CG-CB 4.12Å; Q14-D61 PolarHBondContact NE2-OD1 3.45Å; Q14-D61 PolarHBondContact NE2-OD2 3.32Å
15	R	60.6	Low	62.7	Low	200 Å²	200	66.6 Å²	66.6	76%	0.755	38%	0.379	S	S	*	.	I	π-helix	trans	-74.2	-35.9	-177.3	-72.6	-177.7	179.8	174.8	0	113.1	P11 Q12 I13 I19	P11-R15 PolarHBondContact O-N 2.66Å; Q12-R15 PolarHBondContact O-N 3.4Å; I13-R15 PolarHBondContact O-N 3.07Å; R15-I19 HydrophobicContact CG-CD1 4.27Å
16	A	69	Low	65	Low	59 Å²	59	64.1 Å²	64.1	49%	0.488	35%	0.348	S	S	.	.	I	π-helix	trans	-78.6	-36.4	-175.1	0	0	0	0	0	113.3	Q12 I13	Q12-A16 WeakPolarHBondContact O-CB 3.49Å; Q12-A16 PolarHBondContact O-N 3.11Å; Q12-A16 VanDerWaalsContact O-N 3.11Å; I13-A16 PolarHBondContact O-N 2.97Å
17	Y	73.6	Confident	67	Low	119 Å²	119	67.2 Å²	67.2	47%	0.467	35%	0.349	S	S	.	.	I	π-helix	trans	-118.6	-48.2	-170.9	-60.6	-82	0	0	0	113.6	I13 P20 L21	I13-Y17 HydrophobicContact CG2-CD2 4Å; I13-Y17 PolarHBondContact O-N 3.27Å; Y17-P20 WeakPolarHBondContact O-CD 3.48Å; Y17-L21 WeakPolarHBondContact O-CB 3.4Å; Y17-L21 WeakPolarHBondContact O-CD1 3.06Å; Y17-L21 VanDerWaalsContact O-CG 3.23Å; Y17-L21 WeakPolarHBondContact O-CG 3.47Å; Y17-L21 PolarHBondContact O-N 3.22Å
18	L	76.4	Confident	68.7	Low	3 Å²	3	70 Å²	70	2%	0.016	35%	0.348	C	S	.	.	I	π-helix	trans	-74.5	-36.8	-171.3	-73.4	173.6	0	0	0	114.1	Q14 A22 I42 W58 D61 A65	Q14-L18 HydrophobicContact CG-CD1 4.3Å; Q14-L18 PolarHBondContact O-N 2.78Å; L18-A22 WeakPolarHBondContact O-CB 3.29Å; L18-A22 PolarHBondContact O-N 2.95Å; L18-I42 HydrophobicContact CD2-CD1 3.73Å; L18-I42 HydrophobicContact CD2-CG1 4.37Å; L18-W58 HydrophobicContact CD1-CE3 3.98Å; L18-W58 HydrophobicContact CD1-CZ3 4.06Å; L18-W58 HydrophobicContact CD2-CE3 3.91Å; L18-W58 HydrophobicContact CD2-CZ3 3.9Å; L18-W58 HydrophobicContact CG-CE3 4.22Å; L18-W58 HydrophobicContact CG-CZ3 3.96Å; L18-D61 HydrophobicContact CD1-CB 4.06Å; L18-A65 HydrophobicContact CB-CB 3.97Å
19	I	78.8	Confident	70.3	Confident	28 Å²	28	65.8 Å²	65.8	14%	0.144	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-49.3	178.4	-64.4	175.6	0	0	0	111.4	Q14 R15 L21 A22 E23 A65 V69	Q14-I19 PolarHBondContact O-N 3.16Å; R15-I19 HydrophobicContact CG-CD1 4.27Å; I19-L21 VanDerWaalsContact C-N 3.3Å; I19-L21 PolarHBondContact O-N 3.5Å; I19-A22 PolarHBondContact O-N 3.4Å; I19-E23 WeakPolarHBondContact O-CG 3.4Å; I19-E23 PolarHBondContact O-N 2.97Å; I19-A65 HydrophobicContact CG1-CB 4.41Å; I19-V69 HydrophobicContact CG2-CG2 4.36Å
20	P	78.3	Confident	71.2	Confident	51 Å²	51	71 Å²	71	33%	0.331	36%	0.359	S	S	.	.	H	α-helix	trans	-59.3	-38.9	176	-26	35.4	0	0	0	113.4	Y17 E23 Q24	Y17-P20 WeakPolarHBondContact O-CD 3.48Å; P20-E23 PolarHBondContact O-N 3.04Å; P20-Q24 WeakPolarHBondContact O-CG 3.38Å; P20-Q24 PolarHBondContact O-N 3.2Å
21	L	80.2	Confident	71.9	Confident	8 Å²	8	73.4 Å²	73.4	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-67.4	-38.2	176.7	-71.4	171.6	0	0	0	112.5	Y17 I19 E23 Q24 F25 F38 Y41 D45 T48	Y17-L21 WeakPolarHBondContact O-CB 3.4Å; Y17-L21 WeakPolarHBondContact O-CD1 3.06Å; Y17-L21 VanDerWaalsContact O-CG 3.23Å; Y17-L21 WeakPolarHBondContact O-CG 3.47Å; Y17-L21 PolarHBondContact O-N 3.22Å; I19-L21 VanDerWaalsContact C-N 3.3Å; I19-L21 PolarHBondContact O-N 3.5Å; L21-E23 VanDerWaalsContact C-N 3.33Å; L21-Q24 PolarHBondContact O-N 3.36Å; L21-F25 VanDerWaalsContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CB 3.38Å; L21-F25 PolarHBondContact O-N 3.34Å; L21-F38 HydrophobicContact CB-CE2 4.33Å; L21-F38 HydrophobicContact CB-CZ 4.49Å; L21-Y41 HydrophobicContact CD2-CE1 4.19Å; L21-D45 WeakPolarHBondContact CD2-OD2 3.38Å; L21-T48 HydrophobicContact CD1-CG2 3.37Å
22	A	81.7	Confident	72.5	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-39.3	173.7	0	0	0	0	0	111.5	L18 I19 F25 V26 F38 A65 V69	L18-A22 WeakPolarHBondContact O-CB 3.29Å; L18-A22 PolarHBondContact O-N 2.95Å; I19-A22 PolarHBondContact O-N 3.4Å; A22-F25 PolarHBondContact O-N 3.33Å; A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.3Å; A22-V26 PolarHBondContact O-N 3.33Å; A22-F38 VanDerWaalsContact CA-CE2 3.49Å; A22-F38 HydrophobicContact CB-CE1 4.21Å; A22-F38 HydrophobicContact CB-CE2 4Å; A22-F38 HydrophobicContact CB-CZ 3.58Å; A22-A65 HydrophobicContact CB-CB 4.42Å; A22-V69 HydrophobicContact CB-CB 4.29Å; A22-V69 HydrophobicContact CB-CG2 3.67Å
23	E	80.5	Confident	73.2	Confident	77 Å²	77	68.4 Å²	68.4	36%	0.36	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-36.9	175.2	-70.3	176.9	177.3	0	0	112.5	I19 P20 L21 K27 V69 R72	I19-E23 WeakPolarHBondContact O-CG 3.4Å; I19-E23 PolarHBondContact O-N 2.97Å; P20-E23 PolarHBondContact O-N 3.04Å; L21-E23 VanDerWaalsContact C-N 3.33Å; E23-K27 WeakPolarHBondContact O-CG 3.5Å; E23-V69 HydrophobicContact CG-CB 4.48Å; E23-V69 HydrophobicContact CG-CG1 3.91Å; E23-V69 HydrophobicContact CG-CG2 3.67Å; E23-R72 IonicContact OE1-NH1 3.54Å
24	Q	78.7	Confident	74.1	Confident	94 Å²	94	68.3 Å²	68.3	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-70	-43.4	172.9	-72.3	178.4	-3.6	0	0	112.1	P20 L21 V26 K27 I28	P20-Q24 WeakPolarHBondContact O-CG 3.38Å; P20-Q24 PolarHBondContact O-N 3.2Å; L21-Q24 PolarHBondContact O-N 3.36Å; Q24-V26 PolarHBondContact O-N 2.99Å; Q24-K27 WeakPolarHBondContact O-CB 3.49Å; Q24-K27 PolarHBondContact O-N 3.35Å; Q24-K27 VanDerWaalsContact O-N 3.12Å; Q24-I28 WeakPolarHBondContact O-CG1 3.45Å; Q24-I28 PolarHBondContact O-N 2.87Å
25	F	79.8	Confident	74.9	Confident	9 Å²	9	68.5 Å²	68.5	4%	0.039	36%	0.36	C	S	.	.	H	α-helix	trans	-58.4	-49.2	178.5	178.8	-101	0	0	0	111.1	L21 A22 K27 I28 S29 E37 F38 Y41 L66	L21-F25 VanDerWaalsContact O-CB 3.29Å; L21-F25 WeakPolarHBondContact O-CB 3.38Å; L21-F25 PolarHBondContact O-N 3.34Å; A22-F25 PolarHBondContact O-N 3.33Å; F25-K27 PolarHBondContact O-N 2.89Å; F25-K27 VanDerWaalsContact O-N 3.11Å; F25-I28 PolarHBondContact O-N 3.2Å; F25-S29 WeakPolarHBondContact CE1-OG 3.27Å; F25-S29 VanDerWaalsContact CZ-CB 3.43Å; F25-S29 WeakPolarHBondContact O-CB 3.28Å; F25-S29 PolarHBondContact O-N 2.85Å; F25-S29 PolarHBondContact O-OG 3.11Å; F25-E37 HydrophobicContact CE2-CB 4.02Å; F25-E37 HydrophobicContact CZ-CB 3.57Å; F25-F38 HydrophobicContact CB-CD2 3.65Å; F25-F38 HydrophobicContact CB-CE2 3.91Å; F25-F38 HydrophobicContact CD1-CB 3.99Å; F25-F38 AromaticContact CD1-CD2 3.77Å; F25-F38 HydrophobicContact CD1-CD2 3.77Å; F25-F38 HydrophobicContact CD1-CG 4.2Å; F25-F38 HydrophobicContact CD2-CD2 4.02Å; F25-F38 HydrophobicContact CE1-CB 3.85Å; F25-F38 HydrophobicContact CE1-CD2 4.47Å; F25-F38 HydrophobicContact CE2-CB 4.4Å; F25-F38 HydrophobicContact CG-CB 4.35Å; F25-F38 AromaticContact CG-CD2 3.52Å; F25-F38 HydrophobicContact CG-CD2 3.52Å; F25-F38 HydrophobicContact CG-CE2 4.29Å; F25-F38 HydrophobicContact CG-CG 4.35Å; F25-F38 HydrophobicContact CZ-CB 4.08Å; F25-Y41 HydrophobicContact CB-CD1 4.14Å; F25-Y41 HydrophobicContact CB-CE1 4.29Å; F25-Y41 HydrophobicContact CD2-CD1 4.05Å; F25-Y41 AromaticContact CD2-CD2 3.98Å; F25-Y41 HydrophobicContact CD2-CD2 3.98Å; F25-Y41 AromaticContact CD2-CG 3.63Å; F25-Y41 HydrophobicContact CD2-CG 3.63Å; F25-Y41 HydrophobicContact CE2-CG 4.37Å; F25-L66 HydrophobicContact CD1-CD1 3.96Å; F25-L66 HydrophobicContact CE1-CD1 4.39Å
26	V	79.5	Confident	75.6	Confident	25 Å²	25	63.2 Å²	63.2	15%	0.152	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-25.7	178.4	170.6	0	0	0	0	112.8	A22 Q24 C32 L66 V69 T73	A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.3Å; A22-V26 PolarHBondContact O-N 3.33Å; Q24-V26 PolarHBondContact O-N 2.99Å; V26-C32 HydrophobicContact CB-CB 4.49Å; V26-C32 HydrophobicContact CG1-CB 4.15Å; V26-C32 HydrophobicContact CG2-CB 4.28Å; V26-C32 PolarHBondContact O-SG 3.28Å; V26-C32 VanDerWaalsContact O-SG 3.34Å; V26-L66 HydrophobicContact CG2-CD1 4.06Å; V26-V69 HydrophobicContact CB-CG1 4.36Å; V26-V69 HydrophobicContact CG2-CG1 3.93Å; V26-T73 HydrophobicContact CG1-CG2 4.34Å
27	K	75.9	Confident	76	Confident	178 Å²	178	64.3 Å²	64.3	77%	0.774	34%	0.342	S	S	*	.	H	α-helix	trans	-79.5	-25.9	175.4	-70.1	175.9	-176.2	-176.2	0	114	E23 Q24 F25	E23-K27 WeakPolarHBondContact O-CG 3.5Å; Q24-K27 WeakPolarHBondContact O-CB 3.49Å; Q24-K27 PolarHBondContact O-N 3.35Å; Q24-K27 VanDerWaalsContact O-N 3.12Å; F25-K27 PolarHBondContact O-N 2.89Å; F25-K27 VanDerWaalsContact O-N 3.11Å
28	I	75.4	Confident	76.4	Confident	120 Å²	120	58.7 Å²	58.7	62%	0.615	32%	0.319	S	S	*	.	H	α-helix	trans	-105.8	-37.2	-170.2	-60.1	166.2	0	0	0	111.5	Q24 F25	Q24-I28 WeakPolarHBondContact O-CG1 3.45Å; Q24-I28 PolarHBondContact O-N 2.87Å; F25-I28 PolarHBondContact O-N 3.2Å
29	S	71.5	Confident	76.5	Confident	19 Å²	19	58.8 Å²	58.8	13%	0.133	32%	0.321	C	S	.	.			trans	-78.4	139.4	-174.1	65.8	0	0	0	0	112.3	F25 C32	F25-S29 WeakPolarHBondContact CE1-OG 3.27Å; F25-S29 VanDerWaalsContact CZ-CB 3.43Å; F25-S29 WeakPolarHBondContact O-CB 3.28Å; F25-S29 PolarHBondContact O-N 2.85Å; F25-S29 PolarHBondContact O-OG 3.11Å; S29-C32 PolarHBondContact O-SG 3.14Å; S29-C32 VanDerWaalsContact O-SG 3.36Å; S29-C32 WeakPolarHBondContact OG-CA 3.29Å
30	V	65.8	Low	76.4	Confident	140 Å²	140	63 Å²	63	85%	0.848	34%	0.34	S	S	*	.	S	Bend	trans	-66.4	-41.6	171.3	-176.6	0	0	0	0	110.6
31	D	70.8	Confident	76.5	Confident	92 Å²	92	63.4 Å²	63.4	49%	0.492	34%	0.335	S	S	.	.			trans	-101.2	76.1	177.7	-77.3	-24.3	0	0	0	112.1	S33 S34	D31-S33 PolarHBondContact O-N 2.79Å; D31-S34 PolarHBondContact O-N 3.45Å; D31-S34 VanDerWaalsContact O-N 3.11Å
32	C	69.1	Low	76.4	Confident	43 Å²	43	63 Å²	63	29%	0.291	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-5.5	-179.3	-51	0	0	0	0	115.7	V26 S29 N70	V26-C32 HydrophobicContact CB-CB 4.49Å; V26-C32 HydrophobicContact CG1-CB 4.15Å; V26-C32 HydrophobicContact CG2-CB 4.28Å; V26-C32 PolarHBondContact O-SG 3.28Å; V26-C32 VanDerWaalsContact O-SG 3.34Å; S29-C32 PolarHBondContact O-SG 3.14Å; S29-C32 VanDerWaalsContact O-SG 3.36Å; S29-C32 WeakPolarHBondContact OG-CA 3.29Å; C32-N70 PolarHBondContact O-ND2 3.32Å; C32-N70 PolarHBondContact O-OD1 2.98Å
33	S	73.5	Confident	76	Confident	91 Å²	91	65.9 Å²	65.9	64%	0.636	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-10.3	-177	68.9	0	0	0	0	114.6	D31 V35	D31-S33 PolarHBondContact O-N 2.79Å; S33-V35 PolarHBondContact O-N 2.94Å
34	S	76.2	Confident	75.7	Confident	37 Å²	37	71.6 Å²	71.6	26%	0.259	37%	0.366	S	S	.	.			trans	-73.4	114.3	-178.8	-178.4	0	0	0	0	111.2	D31 D36 E37 F38	D31-S34 PolarHBondContact O-N 3.45Å; D31-S34 VanDerWaalsContact O-N 3.11Å; S34-D36 VanDerWaalsContact C-N 3.29Å; S34-D36 PolarHBondContact O-N 3.39Å; S34-E37 PolarHBondContact OG-N 3.08Å; S34-F38 PolarHBondContact O-N 2.87Å
35	V	76.7	Confident	75.4	Confident	46 Å²	46	69.7 Å²	69.7	28%	0.279	36%	0.359	S	S	.	.	H	α-helix	trans	-68.7	-31.8	176.6	180	0	0	0	0	111	S33 S39 C63 L66	S33-V35 PolarHBondContact O-N 2.94Å; V35-S39 WeakPolarHBondContact O-CB 3.37Å; V35-S39 PolarHBondContact O-N 3.18Å; V35-C63 HydrophobicContact CG1-CB 4.16Å; V35-C63 HydrophobicContact CG2-CB 4.42Å; V35-L66 HydrophobicContact CG2-CD2 4.2Å
36	D	76.6	Confident	74.7	Confident	89 Å²	89	79 Å²	79	48%	0.476	40%	0.399	S	S	.	.	H	α-helix	trans	-71.5	-43.1	-178.9	-71.1	-51.3	0	0	0	111.1	S34 F38 S39 E40 R59	S34-D36 VanDerWaalsContact C-N 3.29Å; S34-D36 PolarHBondContact O-N 3.39Å; D36-F38 PolarHBondContact O-N 3.03Å; D36-S39 WeakPolarHBondContact O-CB 3.47Å; D36-S39 PolarHBondContact O-N 2.82Å; D36-S39 VanDerWaalsContact O-N 3.15Å; D36-S39 PolarHBondContact O-OG 2.97Å; D36-E40 PolarHBondContact O-N 3.44Å; D36-R59 IonicContact OD1-CZ 3.64Å; D36-R59 IonicContact OD1-NH1 2.78Å; D36-R59 IonicContact OD1-NH2 2.76Å; D36-R59 PolarHBondContact OD1-NH2 3.41Å
37	E	77.4	Confident	74.1	Confident	82 Å²	82	80.6 Å²	80.6	38%	0.383	41%	0.411	S	S	.	.	H	α-helix	trans	-62.4	-43.2	173.2	-72.3	-166.8	163.4	0	0	112.1	F25 S34 S39 E40 Y41	F25-E37 HydrophobicContact CE2-CB 4.02Å; F25-E37 HydrophobicContact CZ-CB 3.57Å; S34-E37 PolarHBondContact OG-N 3.08Å; E37-S39 PolarHBondContact O-N 3.11Å; E37-E40 PolarHBondContact O-N 2.98Å; E37-E40 VanDerWaalsContact O-N 3.16Å; E37-Y41 WeakPolarHBondContact O-CB 3.46Å; E37-Y41 PolarHBondContact O-N 3.27Å
38	F	81.5	Confident	73.8	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.7	-36	175.8	-177.5	-128.6	0	0	0	111.5	L21 A22 F25 S34 D36 Y41 I42 A62 L66	L21-F38 HydrophobicContact CB-CE2 4.33Å; L21-F38 HydrophobicContact CB-CZ 4.49Å; A22-F38 VanDerWaalsContact CA-CE2 3.49Å; A22-F38 HydrophobicContact CB-CE1 4.21Å; A22-F38 HydrophobicContact CB-CE2 4Å; A22-F38 HydrophobicContact CB-CZ 3.58Å; F25-F38 HydrophobicContact CB-CD2 3.65Å; F25-F38 HydrophobicContact CB-CE2 3.91Å; F25-F38 HydrophobicContact CD1-CB 3.99Å; F25-F38 AromaticContact CD1-CD2 3.77Å; F25-F38 HydrophobicContact CD1-CD2 3.77Å; F25-F38 HydrophobicContact CD1-CG 4.2Å; F25-F38 HydrophobicContact CD2-CD2 4.02Å; F25-F38 HydrophobicContact CE1-CB 3.85Å; F25-F38 HydrophobicContact CE1-CD2 4.47Å; F25-F38 HydrophobicContact CE2-CB 4.4Å; F25-F38 HydrophobicContact CG-CB 4.35Å; F25-F38 AromaticContact CG-CD2 3.52Å; F25-F38 HydrophobicContact CG-CD2 3.52Å; F25-F38 HydrophobicContact CG-CE2 4.29Å; F25-F38 HydrophobicContact CG-CG 4.35Å; F25-F38 HydrophobicContact CZ-CB 4.08Å; S34-F38 PolarHBondContact O-N 2.87Å; D36-F38 PolarHBondContact O-N 3.03Å; F38-Y41 HydrophobicContact CD2-CD1 4.47Å; F38-Y41 HydrophobicContact CE2-CD1 4.49Å; F38-Y41 WeakPolarHBondContact O-CB 3.38Å; F38-Y41 PolarHBondContact O-N 3.44Å; F38-I42 HydrophobicContact CD1-CD1 3.84Å; F38-I42 HydrophobicContact CD2-CD1 4.35Å; F38-I42 HydrophobicContact CD2-CG1 4.36Å; F38-I42 HydrophobicContact CE1-CD1 3.52Å; F38-I42 HydrophobicContact CE1-CG1 4.37Å; F38-I42 HydrophobicContact CE2-CD1 4.05Å; F38-I42 HydrophobicContact CE2-CG1 4Å; F38-I42 HydrophobicContact CG-CD1 4.26Å; F38-I42 HydrophobicContact CZ-CD1 3.62Å; F38-I42 HydrophobicContact CZ-CG1 4Å; F38-I42 VanDerWaalsContact O-CG1 3.29Å; F38-I42 WeakPolarHBondContact O-CG1 3.06Å; F38-I42 PolarHBondContact O-N 3.44Å; F38-A62 HydrophobicContact CD1-CB 3.99Å; F38-A62 HydrophobicContact CE1-CB 3.86Å; F38-L66 HydrophobicContact CB-CD2 4.25Å; F38-L66 HydrophobicContact CD1-CB 4.12Å; F38-L66 HydrophobicContact CD1-CD1 4.4Å; F38-L66 HydrophobicContact CE1-CB 4.36Å; F38-L66 HydrophobicContact CG-CD1 4.28Å
39	S	79	Confident	73.4	Confident	6 Å²	6	71.2 Å²	71.2	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-67	-38.7	175.9	81.6	0	0	0	0	112.3	V35 D36 E37 I43 M55	V35-S39 WeakPolarHBondContact O-CB 3.37Å; V35-S39 PolarHBondContact O-N 3.18Å; D36-S39 WeakPolarHBondContact O-CB 3.47Å; D36-S39 PolarHBondContact O-N 2.82Å; D36-S39 VanDerWaalsContact O-N 3.15Å; D36-S39 PolarHBondContact O-OG 2.97Å; E37-S39 PolarHBondContact O-N 3.11Å; S39-I43 WeakPolarHBondContact O-CG1 3.41Å; S39-I43 PolarHBondContact O-N 2.96Å; S39-M55 WeakPolarHBondContact O-CE 3.23Å
40	E	75.8	Confident	73.2	Confident	116 Å²	116	71 Å²	71	54%	0.542	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-39	172.3	-70.7	-153.3	163.5	0	0	112.4	D36 E37 I42 I43 R44	D36-E40 PolarHBondContact O-N 3.44Å; E37-E40 PolarHBondContact O-N 2.98Å; E37-E40 VanDerWaalsContact O-N 3.16Å; E40-I42 PolarHBondContact O-N 3.47Å; E40-I43 PolarHBondContact O-N 2.92Å; E40-I43 VanDerWaalsContact O-N 3.16Å; E40-R44 WeakPolarHBondContact O-CG 3.48Å; E40-R44 PolarHBondContact O-N 3.33Å
41	Y	79.9	Confident	73.4	Confident	59 Å²	59	66.5 Å²	66.5	23%	0.231	35%	0.351	C	S	.	.	H	α-helix	trans	-59.1	-45.6	175.7	-175.7	-97	0	0	0	111.5	L21 F25 E37 F38 I43 R44 D45	L21-Y41 HydrophobicContact CD2-CE1 4.19Å; F25-Y41 HydrophobicContact CB-CD1 4.14Å; F25-Y41 HydrophobicContact CB-CE1 4.29Å; F25-Y41 HydrophobicContact CD2-CD1 4.05Å; F25-Y41 AromaticContact CD2-CD2 3.98Å; F25-Y41 HydrophobicContact CD2-CD2 3.98Å; F25-Y41 AromaticContact CD2-CG 3.63Å; F25-Y41 HydrophobicContact CD2-CG 3.63Å; F25-Y41 HydrophobicContact CE2-CG 4.37Å; E37-Y41 WeakPolarHBondContact O-CB 3.46Å; E37-Y41 PolarHBondContact O-N 3.27Å; F38-Y41 HydrophobicContact CD2-CD1 4.47Å; F38-Y41 HydrophobicContact CE2-CD1 4.49Å; F38-Y41 WeakPolarHBondContact O-CB 3.38Å; F38-Y41 PolarHBondContact O-N 3.44Å; Y41-I43 VanDerWaalsContact C-N 3.31Å; Y41-I43 PolarHBondContact O-N 3.45Å; Y41-R44 PolarHBondContact O-N 3.26Å; Y41-D45 PolarHBondContact O-N 3.42Å
42	I	79.3	Confident	73.3	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-61.7	-36.8	175.4	-66.6	162.1	0	0	0	111.8	L18 F38 E40 T48 C50 A62	L18-I42 HydrophobicContact CD2-CD1 3.73Å; L18-I42 HydrophobicContact CD2-CG1 4.37Å; F38-I42 HydrophobicContact CD1-CD1 3.84Å; F38-I42 HydrophobicContact CD2-CD1 4.35Å; F38-I42 HydrophobicContact CD2-CG1 4.36Å; F38-I42 HydrophobicContact CE1-CD1 3.52Å; F38-I42 HydrophobicContact CE1-CG1 4.37Å; F38-I42 HydrophobicContact CE2-CD1 4.05Å; F38-I42 HydrophobicContact CE2-CG1 4Å; F38-I42 HydrophobicContact CG-CD1 4.26Å; F38-I42 HydrophobicContact CZ-CD1 3.62Å; F38-I42 HydrophobicContact CZ-CG1 4Å; F38-I42 VanDerWaalsContact O-CG1 3.29Å; F38-I42 WeakPolarHBondContact O-CG1 3.06Å; F38-I42 PolarHBondContact O-N 3.44Å; E40-I42 PolarHBondContact O-N 3.47Å; I42-T48 HydrophobicContact CG2-CG2 4.39Å; I42-C50 HydrophobicContact CG2-CB 3.68Å; I42-A62 HydrophobicContact CD1-CB 3.79Å
43	I	73.4	Confident	73.2	Confident	60 Å²	60	76.1 Å²	76.1	31%	0.308	39%	0.392	S	S	.	.	H	α-helix	trans	-69.5	-38.2	177.6	-67.8	165	0	0	0	111.4	S39 E40 Y41 D45 M55	S39-I43 WeakPolarHBondContact O-CG1 3.41Å; S39-I43 PolarHBondContact O-N 2.96Å; E40-I43 PolarHBondContact O-N 2.92Å; E40-I43 VanDerWaalsContact O-N 3.16Å; Y41-I43 VanDerWaalsContact C-N 3.31Å; Y41-I43 PolarHBondContact O-N 3.45Å; I43-D45 VanDerWaalsContact C-N 3.34Å; I43-M55 HydrophobicContact CD1-CE 3.24Å; I43-M55 HydrophobicContact CG1-CE 3.24Å
44	R	74	Confident	73.1	Confident	197 Å²	197	73.8 Å²	73.8	74%	0.743	37%	0.372	S	S	*	.	H	α-helix	trans	-69.2	-35.9	179.2	-73.5	-175.4	-173.5	-167.5	5	111.6	E40 Y41 K46	E40-R44 WeakPolarHBondContact O-CG 3.48Å; E40-R44 PolarHBondContact O-N 3.33Å; Y41-R44 PolarHBondContact O-N 3.26Å; R44-K46 PolarHBondContact O-N 3.44Å
45	D	71.4	Confident	72.7	Confident	53 Å²	53	72.9 Å²	72.9	28%	0.283	36%	0.364	S	S	.	.			trans	-79.4	114.8	180	-167.2	13.1	0	0	0	111.9	L21 Y41 I43 S47	L21-D45 WeakPolarHBondContact CD2-OD2 3.38Å; Y41-D45 PolarHBondContact O-N 3.42Å; I43-D45 VanDerWaalsContact C-N 3.34Å; D45-S47 PolarHBondContact O-N 3.18Å; D45-S47 VanDerWaalsContact O-N 3.08Å; D45-S47 PolarHBondContact OD1-N 2.99Å; D45-S47 WeakPolarHBondContact OD2-CB 3.41Å; D45-S47 PolarHBondContact OD2-OG 2.84Å
46	K	65.9	Low	72.4	Confident	206 Å²	206	79.9 Å²	79.9	90%	0.896	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	3.7	-178.3	-63.4	-178.5	-179	176.4	0	113.3	R44 T48	R44-K46 PolarHBondContact O-N 3.44Å; K46-T48 VanDerWaalsContact C-N 3.3Å
47	S	67.4	Low	72.2	Confident	57 Å²	57	78.5 Å²	78.5	40%	0.399	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.3	179.5	69.2	0	0	0	0	113.6	D45	D45-S47 PolarHBondContact O-N 3.18Å; D45-S47 VanDerWaalsContact O-N 3.08Å; D45-S47 PolarHBondContact OD1-N 2.99Å; D45-S47 WeakPolarHBondContact OD2-CB 3.41Å; D45-S47 PolarHBondContact OD2-OG 2.84Å
48	T	68.2	Low	72	Confident	17 Å²	17	75.2 Å²	75.2	10%	0.104	37%	0.372	C	S	.	.	S	Bend	trans	-109.3	156.7	-179.3	72.5	0	0	0	0	112.3	L21 I42 K46 C50	L21-T48 HydrophobicContact CD1-CG2 3.37Å; I42-T48 HydrophobicContact CG2-CG2 4.39Å; K46-T48 VanDerWaalsContact C-N 3.3Å; T48-C50 PolarHBondContact O-N 3.12Å; T48-C50 VanDerWaalsContact O-N 3.15Å; T48-C50 VanDerWaalsContact OG1-CB 3.27Å; T48-C50 WeakPolarHBondContact OG1-CB 3.36Å; T48-C50 PolarHBondContact OG1-N 2.95Å
49	S	68.4	Low	71.7	Confident	84 Å²	84	80.6 Å²	80.6	59%	0.587	39%	0.393	S	S	*	.	S	Bend	trans	-76.5	14.6	170	55.9	0	0	0	0	113.2	N54	S49-N54 PolarHBondContact O-ND2 3.12Å
50	C	67.3	Low	71.5	Confident	15 Å²	15	87.6 Å²	87.6	10%	0.101	42%	0.422	C	S	.	.			trans	-76.4	131	180	-166.8	0	0	0	0	110.8	I42 T48 N54 W58	I42-C50 HydrophobicContact CG2-CB 3.68Å; T48-C50 PolarHBondContact O-N 3.12Å; T48-C50 VanDerWaalsContact O-N 3.15Å; T48-C50 VanDerWaalsContact OG1-CB 3.27Å; T48-C50 WeakPolarHBondContact OG1-CB 3.36Å; T48-C50 PolarHBondContact OG1-N 2.95Å; C50-N54 WeakPolarHBondContact CA-OD1 3.25Å; C50-N54 PolarHBondContact SG-OD1 3.48Å; C50-W58 HydrophobicContact CB-CD2 4.29Å; C50-W58 HydrophobicContact CB-CE3 4.35Å
51	S	69.4	Low	71.5	Confident	46 Å²	46	82.5 Å²	82.5	32%	0.322	40%	0.399	S	S	.	.			trans	-133.7	167.2	176.8	73.1	0	0	0	0	109.4	S53 N54 M55	S51-S53 PolarHBondContact O-N 3.2Å; S51-S53 VanDerWaalsContact O-N 3.07Å; S51-S53 PolarHBondContact OG-OG 2.99Å; S51-N54 PolarHBondContact N-OD1 3Å; S51-N54 PolarHBondContact O-N 2.83Å; S51-N54 PolarHBondContact O-OD1 3.41Å; S51-M55 PolarHBondContact O-N 3Å; S51-M55 VanDerWaalsContact O-N 3.14Å
52	R	69.2	Low	71.3	Confident	223 Å²	223	79.8 Å²	79.8	84%	0.842	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.4	178	-76.7	-176.7	174.5	161.9	-2.2	113.4
53	S	67.2	Low	71.3	Confident	113 Å²	113	80.9 Å²	80.9	79%	0.79	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-31.8	-179.3	59.8	0	0	0	0	113.6	S51	S51-S53 PolarHBondContact O-N 3.2Å; S51-S53 VanDerWaalsContact O-N 3.07Å; S51-S53 PolarHBondContact OG-OG 2.99Å
54	N	70.8	Confident	71.5	Confident	43 Å²	43	82.8 Å²	82.8	23%	0.23	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-4.7	-178.5	69.9	19.7	0	0	0	114	S49 C50 S51 K56 S57 W58	S49-N54 PolarHBondContact O-ND2 3.12Å; C50-N54 WeakPolarHBondContact CA-OD1 3.25Å; C50-N54 PolarHBondContact SG-OD1 3.48Å; S51-N54 PolarHBondContact N-OD1 3Å; S51-N54 PolarHBondContact O-N 2.83Å; S51-N54 PolarHBondContact O-OD1 3.41Å; N54-K56 PolarHBondContact O-N 2.93Å; N54-S57 PolarHBondContact O-N 3.14Å; N54-S57 PolarHBondContact O-OG 3.35Å; N54-W58 PolarHBondContact O-N 2.86Å
55	M	67.6	Low	71.7	Confident	17 Å²	17	73.6 Å²	73.6	8%	0.084	37%	0.368	C	S	.	.	H	α-helix	trans	-51.5	-35.4	-177.3	178.2	51.7	84.8	0	0	114.1	S39 I43 S51 S57 W58 R59	S39-M55 WeakPolarHBondContact O-CE 3.23Å; I43-M55 HydrophobicContact CD1-CE 3.24Å; I43-M55 HydrophobicContact CG1-CE 3.24Å; S51-M55 PolarHBondContact O-N 3Å; S51-M55 VanDerWaalsContact O-N 3.14Å; M55-S57 VanDerWaalsContact C-N 3.31Å; M55-S57 PolarHBondContact O-N 3.35Å; M55-W58 PolarHBondContact O-N 3.15Å; M55-R59 HydrophobicContact CG-CG 4.26Å; M55-R59 WeakPolarHBondContact O-CG 3.39Å; M55-R59 PolarHBondContact O-N 2.64Å; M55-R59 HydrophobicContact SD-CG 3.97Å
56	K	71.4	Confident	72.1	Confident	194 Å²	194	71.3 Å²	71.3	84%	0.843	36%	0.356	S	S	*	.	H	α-helix	trans	-60	-37.5	178.3	-76.9	-174.4	179.7	177.8	0	113.2	N54	N54-K56 PolarHBondContact O-N 2.93Å
57	S	71	Confident	72.8	Confident	60 Å²	60	69.7 Å²	69.7	42%	0.42	34%	0.344	S	S	.	.	H	α-helix	trans	-75.5	-33.6	178	61.4	0	0	0	0	111.6	Y8 N54 M55	Y8-S57 PolarHBondContact OH-O 2.7Å; N54-S57 PolarHBondContact O-N 3.14Å; N54-S57 PolarHBondContact O-OG 3.35Å; M55-S57 VanDerWaalsContact C-N 3.31Å; M55-S57 PolarHBondContact O-N 3.35Å
58	W	74	Confident	73.4	Confident	13 Å²	13	70.5 Å²	70.5	5%	0.049	34%	0.344	C	S	.	.	H	α-helix	trans	-76	-30.9	179.9	-75.7	69.6	0	0	0	113.8	I13 L18 C50 N54 M55 K60 D61 A62	I13-W58 HydrophobicContact CG2-CH2 3.69Å; I13-W58 HydrophobicContact CG2-CZ2 4.4Å; I13-W58 HydrophobicContact CG2-CZ3 4.3Å; L18-W58 HydrophobicContact CD1-CE3 3.98Å; L18-W58 HydrophobicContact CD1-CZ3 4.06Å; L18-W58 HydrophobicContact CD2-CE3 3.91Å; L18-W58 HydrophobicContact CD2-CZ3 3.9Å; L18-W58 HydrophobicContact CG-CE3 4.22Å; L18-W58 HydrophobicContact CG-CZ3 3.96Å; C50-W58 HydrophobicContact CB-CD2 4.29Å; C50-W58 HydrophobicContact CB-CE3 4.35Å; N54-W58 PolarHBondContact O-N 2.86Å; M55-W58 PolarHBondContact O-N 3.15Å; W58-K60 VanDerWaalsContact C-N 3.26Å; W58-K60 PolarHBondContact O-N 3.15Å; W58-K60 VanDerWaalsContact O-N 3.12Å; W58-D61 PolarHBondContact O-N 3.48Å; W58-A62 PolarHBondContact O-N 2.87Å
59	R	74.7	Confident	73.8	Confident	112 Å²	112	69.9 Å²	69.9	42%	0.423	34%	0.34	S	S	.	.	H	α-helix	trans	-49	-42.7	-178.2	-92.8	-176.7	173.3	-134.3	-12.6	113.9	D36 M55 D61 C63	D36-R59 IonicContact OD1-CZ 3.64Å; D36-R59 IonicContact OD1-NH1 2.78Å; D36-R59 IonicContact OD1-NH2 2.76Å; D36-R59 PolarHBondContact OD1-NH2 3.41Å; M55-R59 HydrophobicContact CG-CG 4.26Å; M55-R59 WeakPolarHBondContact O-CG 3.39Å; M55-R59 PolarHBondContact O-N 2.64Å; M55-R59 HydrophobicContact SD-CG 3.97Å; R59-D61 VanDerWaalsContact C-N 3.31Å; R59-D61 PolarHBondContact O-N 3.32Å; R59-C63 VanDerWaalsContact O-CB 3.3Å; R59-C63 WeakPolarHBondContact O-CB 3.41Å; R59-C63 PolarHBondContact O-N 2.95Å
60	K	75.5	Confident	74.3	Confident	153 Å²	153	67.5 Å²	67.5	67%	0.665	32%	0.321	S	S	*	.	H	α-helix	trans	-65.3	-37.1	-179.1	-170.5	175.6	-176.2	177.1	0	112	W58 K64	W58-K60 VanDerWaalsContact C-N 3.26Å; W58-K60 PolarHBondContact O-N 3.15Å; W58-K60 VanDerWaalsContact O-N 3.12Å; K60-K64 WeakPolarHBondContact O-CG 3.43Å; K60-K64 PolarHBondContact O-N 3.46Å
61	D	74.6	Confident	74.7	Confident	10 Å²	10	70.8 Å²	70.8	5%	0.053	34%	0.341	C	S	.	.	H	α-helix	trans	-85.4	-34.6	-177.9	-74.8	-12.4	0	0	0	112.1	Y8 Q14 L18 W58 R59 C63 K64 A65	Y8-D61 PolarHBondContact OH-OD2 3.01Å; Q14-D61 HydrophobicContact CG-CB 4.12Å; Q14-D61 PolarHBondContact NE2-OD1 3.45Å; Q14-D61 PolarHBondContact NE2-OD2 3.32Å; L18-D61 HydrophobicContact CD1-CB 4.06Å; W58-D61 PolarHBondContact O-N 3.48Å; R59-D61 VanDerWaalsContact C-N 3.31Å; R59-D61 PolarHBondContact O-N 3.32Å; D61-C63 VanDerWaalsContact C-N 3.32Å; D61-C63 PolarHBondContact O-N 3.02Å; D61-K64 PolarHBondContact O-N 3.45Å; D61-K64 IonicContact OD1-NZ 3.42Å; D61-K64 PolarHBondContact OD1-NZ 2.94Å; D61-A65 WeakPolarHBondContact O-CB 3.36Å; D61-A65 PolarHBondContact O-N 3.22Å
62	A	75.8	Confident	74.8	Confident	1 Å²	1	75 Å²	75	1%	0.008	35%	0.349	C	S	.	.	H	α-helix	trans	-57.9	-44.7	167.8	0	0	0	0	0	111.3	F38 I42 W58 K64 A65 L66	F38-A62 HydrophobicContact CD1-CB 3.99Å; F38-A62 HydrophobicContact CE1-CB 3.86Å; I42-A62 HydrophobicContact CD1-CB 3.79Å; W58-A62 PolarHBondContact O-N 2.87Å; A62-K64 VanDerWaalsContact C-N 3.35Å; A62-K64 PolarHBondContact O-N 2.9Å; A62-A65 PolarHBondContact O-N 3.29Å; A62-L66 WeakPolarHBondContact O-CB 3.38Å; A62-L66 PolarHBondContact O-N 3.4Å
63	C	79.1	Confident	74.4	Confident	24 Å²	24	67 Å²	67	16%	0.162	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-39.9	175.7	-174.1	0	0	0	0	112.5	V35 R59 D61 R67	V35-C63 HydrophobicContact CG1-CB 4.16Å; V35-C63 HydrophobicContact CG2-CB 4.42Å; R59-C63 VanDerWaalsContact O-CB 3.3Å; R59-C63 WeakPolarHBondContact O-CB 3.41Å; R59-C63 PolarHBondContact O-N 2.95Å; D61-C63 VanDerWaalsContact C-N 3.32Å; D61-C63 PolarHBondContact O-N 3.02Å; C63-R67 WeakPolarHBondContact O-CB 3.42Å; C63-R67 VanDerWaalsContact O-CG 3.25Å; C63-R67 WeakPolarHBondContact O-CG 2.95Å; C63-R67 PolarHBondContact O-N 2.87Å
64	K	78.6	Confident	73.9	Confident	100 Å²	100	69.6 Å²	69.6	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-44.4	174.7	-73	173.3	-166.1	156	0	111.9	K60 D61 A62 R67 L68	K60-K64 WeakPolarHBondContact O-CG 3.43Å; K60-K64 PolarHBondContact O-N 3.46Å; D61-K64 PolarHBondContact O-N 3.45Å; D61-K64 IonicContact OD1-NZ 3.42Å; D61-K64 PolarHBondContact OD1-NZ 2.94Å; A62-K64 VanDerWaalsContact C-N 3.35Å; A62-K64 PolarHBondContact O-N 2.9Å; K64-R67 PolarHBondContact O-N 3.4Å; K64-L68 WeakPolarHBondContact O-CB 3.43Å; K64-L68 PolarHBondContact O-N 2.9Å
65	A	78.3	Confident	73.2	Confident	5 Å²	5	72.9 Å²	72.9	4%	0.041	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-48.2	179.2	0	0	0	0	0	110.9	L18 I19 A22 D61 A62 R67 L68 V69	L18-A65 HydrophobicContact CB-CB 3.97Å; I19-A65 HydrophobicContact CG1-CB 4.41Å; A22-A65 HydrophobicContact CB-CB 4.42Å; D61-A65 WeakPolarHBondContact O-CB 3.36Å; D61-A65 PolarHBondContact O-N 3.22Å; A62-A65 PolarHBondContact O-N 3.29Å; A65-R67 PolarHBondContact O-N 2.99Å; A65-L68 WeakPolarHBondContact O-CB 3.49Å; A65-L68 PolarHBondContact O-N 2.75Å; A65-L68 VanDerWaalsContact O-N 3.16Å; A65-V69 WeakPolarHBondContact O-CG2 3.47Å; A65-V69 PolarHBondContact O-N 3.19Å
66	L	79.6	Confident	72	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-61.2	-43.2	177.6	-169.2	68.6	0	0	0	111.9	F25 V26 V35 F38 A62 L68 V69 N70	F25-L66 HydrophobicContact CD1-CD1 3.96Å; F25-L66 HydrophobicContact CE1-CD1 4.39Å; V26-L66 HydrophobicContact CG2-CD1 4.06Å; V35-L66 HydrophobicContact CG2-CD2 4.2Å; F38-L66 HydrophobicContact CB-CD2 4.25Å; F38-L66 HydrophobicContact CD1-CB 4.12Å; F38-L66 HydrophobicContact CD1-CD1 4.4Å; F38-L66 HydrophobicContact CE1-CB 4.36Å; F38-L66 HydrophobicContact CG-CD1 4.28Å; A62-L66 WeakPolarHBondContact O-CB 3.38Å; A62-L66 PolarHBondContact O-N 3.4Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 2.95Å; L66-V69 PolarHBondContact O-N 3.36Å; L66-N70 WeakPolarHBondContact O-CB 3.31Å; L66-N70 PolarHBondContact O-N 3Å
67	R	81.4	Confident	70.6	Confident	172 Å²	172	73.8 Å²	73.8	65%	0.649	37%	0.369	S	S	*	.	H	α-helix	trans	-61	-42.3	174.5	-76.9	176.2	-176.2	179.6	2.7	112.2	C63 K64 A65 N70 T71	C63-R67 WeakPolarHBondContact O-CB 3.42Å; C63-R67 VanDerWaalsContact O-CG 3.25Å; C63-R67 WeakPolarHBondContact O-CG 2.95Å; C63-R67 PolarHBondContact O-N 2.87Å; K64-R67 PolarHBondContact O-N 3.4Å; A65-R67 PolarHBondContact O-N 2.99Å; R67-N70 PolarHBondContact O-N 3.45Å; R67-T71 WeakPolarHBondContact O-CG2 3.47Å; R67-T71 PolarHBondContact O-N 3.32Å; R67-T71 PolarHBondContact O-OG1 3.16Å
68	L	79.6	Confident	69.1	Low	74 Å²	74	76.5 Å²	76.5	39%	0.387	38%	0.382	S	S	.	.	H	α-helix	trans	-64.2	-43.2	-179.3	-151.2	160	0	0	0	110.7	K64 A65 L66 T71 R72	K64-L68 WeakPolarHBondContact O-CB 3.43Å; K64-L68 PolarHBondContact O-N 2.9Å; A65-L68 WeakPolarHBondContact O-CB 3.49Å; A65-L68 PolarHBondContact O-N 2.75Å; A65-L68 VanDerWaalsContact O-N 3.16Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 2.95Å; L68-T71 WeakPolarHBondContact CA-OG1 3.42Å; L68-T71 PolarHBondContact O-N 3.03Å; L68-T71 PolarHBondContact O-OG1 3.45Å; L68-R72 HydrophobicContact CD2-CG 4.33Å; L68-R72 WeakPolarHBondContact O-CG 3.5Å; L68-R72 PolarHBondContact O-N 3.44Å
69	V	77.3	Confident	67.1	Low	4 Å²	4	81.1 Å²	81.1	2%	0.024	41%	0.414	C	S	.	.	H	α-helix	trans	-65.5	-47.5	174.6	176.1	0	0	0	0	111.3	I19 A22 E23 V26 A65 L66 T71 R72 T73	I19-V69 HydrophobicContact CG2-CG2 4.36Å; A22-V69 HydrophobicContact CB-CB 4.29Å; A22-V69 HydrophobicContact CB-CG2 3.67Å; E23-V69 HydrophobicContact CG-CB 4.48Å; E23-V69 HydrophobicContact CG-CG1 3.91Å; E23-V69 HydrophobicContact CG-CG2 3.67Å; V26-V69 HydrophobicContact CB-CG1 4.36Å; V26-V69 HydrophobicContact CG2-CG1 3.93Å; A65-V69 WeakPolarHBondContact O-CG2 3.47Å; A65-V69 PolarHBondContact O-N 3.19Å; L66-V69 PolarHBondContact O-N 3.36Å; V69-T71 VanDerWaalsContact C-N 3.29Å; V69-T71 PolarHBondContact O-N 3.2Å; V69-R72 WeakPolarHBondContact O-CA 3.48Å; V69-R72 WeakPolarHBondContact O-CB 3.48Å; V69-R72 PolarHBondContact O-N 3.29Å; V69-T73 HydrophobicContact CG1-CG2 4.4Å; V69-T73 PolarHBondContact O-N 2.96Å; V69-T73 PolarHBondContact O-OG1 2.8Å
70	N	77.3	Confident	65.1	Low	35 Å²	35	85.4 Å²	85.4	19%	0.187	44%	0.436	C	S	.	.	H	α-helix	trans	-62.1	-34.8	177.8	-77.5	-16.4	0	0	0	112.8	C32 L66 R67 T73 M74	C32-N70 PolarHBondContact O-ND2 3.32Å; C32-N70 PolarHBondContact O-OD1 2.98Å; L66-N70 WeakPolarHBondContact O-CB 3.31Å; L66-N70 PolarHBondContact O-N 3Å; R67-N70 PolarHBondContact O-N 3.45Å; N70-T73 WeakPolarHBondContact CA-OG1 3.37Å; N70-T73 PolarHBondContact O-OG1 2.79Å; N70-M74 WeakPolarHBondContact O-CG 3.27Å; N70-M74 PolarHBondContact O-N 2.76Å; N70-M74 VanDerWaalsContact O-N 3.15Å
71	T	76.2	Confident	62.8	Low	84 Å²	84	86 Å²	86	52%	0.515	45%	0.447	S	S	.	.	H	α-helix	trans	-68.5	-36.5	171.3	47.5	0	0	0	0	112.4	R67 L68 V69 M74 V75	R67-T71 WeakPolarHBondContact O-CG2 3.47Å; R67-T71 PolarHBondContact O-N 3.32Å; R67-T71 PolarHBondContact O-OG1 3.16Å; L68-T71 WeakPolarHBondContact CA-OG1 3.42Å; L68-T71 PolarHBondContact O-N 3.03Å; L68-T71 PolarHBondContact O-OG1 3.45Å; V69-T71 VanDerWaalsContact C-N 3.29Å; V69-T71 PolarHBondContact O-N 3.2Å; T71-M74 PolarHBondContact O-N 2.77Å; T71-V75 VanDerWaalsContact O-CG2 3.31Å; T71-V75 WeakPolarHBondContact O-CG2 3.42Å; T71-V75 PolarHBondContact O-N 3.16Å; T71-V75 VanDerWaalsContact O-N 3.16Å
72	R	70.9	Confident	60.3	Low	133 Å²	133	90.4 Å²	90.4	50%	0.502	48%	0.478	S	S	.	.	H	α-helix	trans	-67.6	-41.7	176.6	-79.4	178.2	175.2	-178.6	-2.6	111.9	E23 L68 V69 M74 V75 N76	E23-R72 IonicContact OE1-NH1 3.54Å; L68-R72 HydrophobicContact CD2-CG 4.33Å; L68-R72 WeakPolarHBondContact O-CG 3.5Å; L68-R72 PolarHBondContact O-N 3.44Å; V69-R72 WeakPolarHBondContact O-CA 3.48Å; V69-R72 WeakPolarHBondContact O-CB 3.48Å; V69-R72 PolarHBondContact O-N 3.29Å; R72-M74 VanDerWaalsContact C-N 3.29Å; R72-M74 PolarHBondContact O-N 3.21Å; R72-V75 PolarHBondContact O-N 2.91Å; R72-N76 PolarHBondContact O-N 3.36Å
73	T	61.6	Low	58	Low	55 Å²	55	95.8 Å²	95.8	34%	0.337	51%	0.513	S	S	.	.	H	α-helix	trans	-67	-30.8	177.4	54.8	0	0	0	0	112.1	V26 V69 N70 N76	V26-T73 HydrophobicContact CG1-CG2 4.34Å; V69-T73 HydrophobicContact CG1-CG2 4.4Å; V69-T73 PolarHBondContact O-N 2.96Å; V69-T73 PolarHBondContact O-OG1 2.8Å; N70-T73 WeakPolarHBondContact CA-OG1 3.37Å; N70-T73 PolarHBondContact O-OG1 2.79Å; T73-N76 CarbonylContact O-C 3.35Å
74	M	57	Low	55.4	Low	169 Å²	169	102.3 Å²	102.3	83%	0.833	54%	0.544	S	S	*	.	H	α-helix	trans	-71.7	-29.8	172.1	-73.9	-162.6	171.4	0	0	113.9	N70 T71 R72	N70-M74 WeakPolarHBondContact O-CG 3.27Å; N70-M74 PolarHBondContact O-N 2.76Å; N70-M74 VanDerWaalsContact O-N 3.15Å; T71-M74 PolarHBondContact O-N 2.77Å; R72-M74 VanDerWaalsContact C-N 3.29Å; R72-M74 PolarHBondContact O-N 3.21Å
75	V	56.3	Low	52.6	Low	112 Å²	112	105.1 Å²	105.1	68%	0.679	56%	0.561	S	S	*	*	H	α-helix	trans	-82	-33.5	177.3	174.2	0	0	0	0	111.6	T71 R72	T71-V75 VanDerWaalsContact O-CG2 3.31Å; T71-V75 WeakPolarHBondContact O-CG2 3.42Å; T71-V75 PolarHBondContact O-N 3.16Å; T71-V75 VanDerWaalsContact O-N 3.16Å; R72-V75 PolarHBondContact O-N 2.91Å
76	N	41.3	Very low	50.1	Low	119 Å²	119	111.4 Å²	111.4	64%	0.636	60%	0.599	S	S	*	*	S	Bend	trans	-135.3	91.9	178.8	-76.4	-32.3	0	0	0	110.3	R72 T73 V78	R72-N76 PolarHBondContact O-N 3.36Å; T73-N76 CarbonylContact O-C 3.35Å; N76-V78 PolarHBondContact O-N 2.98Å
77	P	42.9	Very low	47.2	Very low	111 Å²	111	117.1 Å²	117.1	72%	0.721	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-67.8	116.3	174.7	26.3	-31.3	0	0	0	109.7
78	V	38.6	Very low	44.3	Very low	116 Å²	116	117.4 Å²	117.4	70%	0.703	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-72.2	135	170.9	-179.7	0	0	0	0	108.4	N76 K80	N76-V78 PolarHBondContact O-N 2.98Å; V78-K80 PolarHBondContact O-N 3.02Å
79	P	33.3	Very low	41.7	Very low	111 Å²	111	119.3 Å²	119.3	72%	0.721	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59	127.6	-179.2	-20.1	30.7	0	0	0	111.3	D81	P79-D81 PolarHBondContact O-N 3.2Å
80	K	31.7	Very low	38.9	Very low	202 Å²	202	127.2 Å²	127.2	88%	0.878	69%	0.694	S	S	*	*			trans	-79.3	99.2	175.3	-72.2	-175.9	176.3	-175.8	0	109.4	V78 S82	V78-K80 PolarHBondContact O-N 3.02Å; K80-S82 PolarHBondContact O-N 3.43Å
81	D	27.7	Very low	36.3	Very low	166 Å²	166	133.7 Å²	133.7	89%	0.888	72%	0.721	S	S	*	*			trans	-81.4	100.8	157	-75.8	-30.8	0	0	0	108.3	P79	P79-D81 PolarHBondContact O-N 3.2Å
82	S	22.9	Very low	34.2	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	73%	0.73	S	S	*	*			trans	-80.9	137.8	160.4	53.6	0	0	0	0	108.5	K80	K80-S82 PolarHBondContact O-N 3.43Å
83	P	26.2	Very low	31.7	Very low	113 Å²	113	137.8 Å²	137.8	73%	0.734	75%	0.746	S	S	*	*				-145.5	155.1	71.6	36.8	-19.5	0	0	0	114
84	I	25.2	Very low	29.9	Very low	161 Å²	161	142.9 Å²	142.9	83%	0.826	77%	0.771	S	S	*	*			trans	-168.6	120.8	134.9	-88.3	141.2	0	0	0	106.4	V86	I84-V86 HydrophobicContact CG2-CG2 4.2Å
85	M	18.7	Very low	28.1	Very low	160 Å²	160	142 Å²	142	79%	0.788	77%	0.769	S	S	*	*			trans	-69.5	132.9	166.1	-63.5	-173.5	64.4	0	0	109.4
86	V	25.6	Very low	26.6	Very low	137 Å²	137	143.6 Å²	143.6	83%	0.83	77%	0.771	S	S	*	*			trans	-141.4	123	146.8	-176.7	0	0	0	0	107.5	I84	I84-V86 HydrophobicContact CG2-CG2 4.2Å
87	D	19.7	Very low	25.6	Very low	123 Å²	123	143.2 Å²	143.2	66%	0.658	78%	0.778	S	S	*	*			trans	-69.3	164.9	175.5	-87.3	-48.8	0	0	0	113.7
88	E	20.4	Very low	24.9	Very low	179 Å²	179	142.5 Å²	142.5	84%	0.836	77%	0.771	S	S	*	*			trans	87.3	133.2	148.4	-81.5	171.6	-166	0	0	121.7
89	S	24.8	Very low	24.2	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	78%	0.778	S	S	*	*			trans	93.5	77.4	155.2	70.7	0	0	0	0	120.3
90	E	18.3	Very low	24	Very low	169 Å²	169	146.2 Å²	146.2	79%	0.79	78%	0.78	S	S	*	*				42.1	132.4	103.6	-123.5	176.8	-156.4	0	0	121.7
91	F	22.6	Very low	23.7	Very low	172 Å²	172	143.1 Å²	143.1	75%	0.754	77%	0.773	S	S	*	*			trans	87	149.3	160.6	-71.8	-91.1	0	0	0	121.2
92	P	32.1	Very low	23.7	Very low	109 Å²	109	145.7 Å²	145.7	71%	0.708	77%	0.77	S	S	*	*			cis	-136.8	172	-45.6	33	-13.5	0	0	0	115.8
93	K	18.6	Very low	23.7	Very low	194 Å²	194	150.2 Å²	150.2	84%	0.843	78%	0.777	S	S	*	*			trans	-53.1	134.5	171.4	-65.2	172.2	176.7	177	0	113.6
94	L	23.2	Very low	23.7	Very low	162 Å²	162	152.1 Å²	152.1	85%	0.848	78%	0.781	S	S	*	*			trans	-123.3	94.2	162.3	-90.1	156.7	0	0	0	108.7
95	D	19.4	Very low	23.7	Very low	150 Å²	150	150 Å²	150	80%	0.802	78%	0.778	S	S	*	*			trans	-69.7	120.7	158.1	-80.6	-41.1	0	0	0	108.2
96	M	25.3	Very low	24	Very low	146 Å²	146	154 Å²	154	72%	0.719	78%	0.784	S	S	*	*			trans	-139.9	83	166.5	-81.5	-74.1	-46.7	0	0	107.5	V98	M96-V98 HydrophobicContact CE-CG2 3.74Å; M96-V98 PolarHBondContact O-N 3.16Å
97	S	21.2	Very low	24	Very low	111 Å²	111	156.2 Å²	156.2	78%	0.776	78%	0.782	S	S	*	*			trans	-61.9	118.7	156.9	39.9	0	0	0	0	108.8
98	V	28.5	Very low	24.4	Very low	96 Å²	96	161.3 Å²	161.3	58%	0.582	79%	0.792	S	S	*	*			trans	-134.7	97.4	161.4	-176	0	0	0	0	107.9	M96 L100	M96-V98 HydrophobicContact CE-CG2 3.74Å; M96-V98 PolarHBondContact O-N 3.16Å; V98-L100 HydrophobicContact CG1-CD1 3.95Å; V98-L100 HydrophobicContact CG1-CG 4.16Å; V98-L100 PolarHBondContact O-N 3.16Å
99	D	23	Very low	24.7	Very low	159 Å²	159	157.9 Å²	157.9	85%	0.85	79%	0.788	S	S	*	*			trans	-58.7	113.1	160.1	-77.1	-48.8	0	0	0	109.3
100	L	30	Very low	24.8	Very low	145 Å²	145	160.8 Å²	160.8	76%	0.759	79%	0.786	S	S	*	*			trans	-119.2	79.5	164.1	-91.6	155.8	0	0	0	108.5	V98 R102	V98-L100 HydrophobicContact CG1-CD1 3.95Å; V98-L100 HydrophobicContact CG1-CG 4.16Å; V98-L100 PolarHBondContact O-N 3.16Å; L100-R102 PolarHBondContact O-N 3.43Å
101	D	23.8	Very low	25	Very low	138 Å²	138	160.2 Å²	160.2	74%	0.738	79%	0.785	S	S	*	*			trans	-64.8	89.7	166.3	-135.3	-9.9	0	0	0	109
102	R	28.4	Very low	25.2	Very low	219 Å²	219	155.3 Å²	155.3	83%	0.826	77%	0.772	S	S	*	*			trans	-134	87.7	161.7	-80.8	-167.7	176.4	-179.3	-0.3	110.2	L100 L104	L100-R102 PolarHBondContact O-N 3.43Å; R102-L104 PolarHBondContact O-N 3.32Å
103	K	22.8	Very low	25.1	Very low	197 Å²	197	157.9 Å²	157.9	86%	0.857	78%	0.78	S	S	*	*			trans	-60.5	97.6	166.1	-69	172.8	-178.1	167	0	110.1
104	L	26.2	Very low	25.6	Very low	154 Å²	154	155 Å²	155	81%	0.806	77%	0.769	S	S	*	*			trans	-90.2	148.1	157.6	-85.4	141.4	0	0	0	109.6	R102	R102-L104 PolarHBondContact O-N 3.32Å
105	P	25.2	Very low	26.4	Very low	117 Å²	117	150.6 Å²	150.6	76%	0.76	75%	0.752	S	S	*	*			trans	-70.6	139.3	-151.6	-14.2	27.6	0	0	0	113.4	K107	P105-K107 PolarHBondContact O-N 3.25Å
106	R	25.8	Very low	27.3	Very low	242 Å²	242	149.1 Å²	149.1	91%	0.913	75%	0.748	S	S	*	*			trans	-0.9	109.4	163.4	-71.5	175.5	169.5	154.8	-3.7	114.7	R108	R106-R108 PolarHBondContact O-N 3.29Å; R106-R108 VanDerWaalsContact O-N 3.11Å
107	K	25.1	Very low	28	Very low	184 Å²	184	145.1 Å²	145.1	80%	0.8	73%	0.732	S	S	*	*			trans	-30	117.5	153.8	-74.8	170.8	176.7	167.2	0	108.5	P105 S109	P105-K107 PolarHBondContact O-N 3.25Å; K107-S109 PolarHBondContact O-N 3.38Å; K107-S109 VanDerWaalsContact O-N 3.14Å
108	R	26.9	Very low	29	Very low	230 Å²	230	147 Å²	147	87%	0.868	73%	0.729	S	S	*	*			trans	-35	125.5	151.4	-80.7	178.2	167.4	172.9	-4.6	105.7	R106 K110	R106-R108 PolarHBondContact O-N 3.29Å; R106-R108 VanDerWaalsContact O-N 3.11Å; R108-K110 VanDerWaalsContact C-N 3.26Å; R108-K110 PolarHBondContact O-N 3.11Å
109	S	26.8	Very low	30	Very low	107 Å²	107	147.3 Å²	147.3	75%	0.748	74%	0.735	S	S	*	*			trans	-39.1	104.5	168.2	46.2	0	0	0	0	106	K107 M111	K107-S109 PolarHBondContact O-N 3.38Å; K107-S109 VanDerWaalsContact O-N 3.14Å; S109-M111 PolarHBondContact O-N 3.49Å
110	K	26.6	Very low	31.8	Very low	175 Å²	175	141.6 Å²	141.6	76%	0.761	70%	0.704	S	S	*	*			trans	-61.4	95.3	154.1	-75.6	-177.3	176.2	-174.7	0	99.5	R108 S112	R108-K110 VanDerWaalsContact C-N 3.26Å; R108-K110 PolarHBondContact O-N 3.11Å; K110-S112 PolarHBondContact O-N 2.86Å
111	M	24.3	Very low	33.5	Very low	157 Å²	157	139 Å²	139	77%	0.773	70%	0.698	S	S	*	*			trans	-41	102	137.6	-79.5	171	61.5	0	0	101.9	S109 L113	S109-M111 PolarHBondContact O-N 3.49Å; M111-L113 PolarHBondContact O-N 2.89Å
112	S	26.1	Very low	36	Very low	69 Å²	69	134 Å²	134	48%	0.483	68%	0.676	S	S	.	*			trans	-40	111.6	151.7	19.7	0	0	0	0	102.5	K110 E114	K110-S112 PolarHBondContact O-N 2.86Å; S112-E114 PolarHBondContact O-N 2.85Å; S112-E114 PolarHBondContact OG-OE1 2.93Å
113	L	30.5	Very low	38.6	Very low	164 Å²	164	130.8 Å²	130.8	86%	0.859	66%	0.664	S	S	*	*			trans	-61.9	77.6	147.5	-91.4	94.4	0	0	0	102.9	M111 S115	M111-L113 PolarHBondContact O-N 2.89Å; L113-S115 PolarHBondContact O-N 2.72Å
114	E	29.1	Very low	41.3	Very low	134 Å²	134	126 Å²	126	63%	0.626	65%	0.654	S	S	*	*			trans	-50.5	103.7	152.5	-93.4	146	-138.7	0	0	102.9	S112 T116	S112-E114 PolarHBondContact O-N 2.85Å; S112-E114 PolarHBondContact OG-OE1 2.93Å; E114-T116 PolarHBondContact O-N 3.23Å
115	S	38.5	Very low	44	Very low	69 Å²	69	119.7 Å²	119.7	48%	0.483	62%	0.622	S	S	.	*			trans	0.7	105.1	158.3	48.6	0	0	0	0	113	L113 T117 E118	L113-S115 PolarHBondContact O-N 2.72Å; S115-T117 WeakPolarHBondContact CB-OG1 3.47Å; S115-T117 PolarHBondContact O-N 3.19Å; S115-E118 PolarHBondContact O-N 2.85Å
116	T	39.4	Very low	46.6	Very low	118 Å²	118	119.7 Å²	119.7	72%	0.724	63%	0.625	S	S	*	*	S	Bend	trans	-60.4	3.5	165.8	52.7	0	0	0	0	113	E114 E118	E114-T116 PolarHBondContact O-N 3.23Å; T116-E118 VanDerWaalsContact C-N 3.25Å
117	T	40	Very low	49.4	Very low	62 Å²	62	109.6 Å²	109.6	38%	0.38	59%	0.591	S	S	.	*			trans	-92.2	38.5	168.1	62	0	0	0	0	110.8	S115 S119	S115-T117 WeakPolarHBondContact CB-OG1 3.47Å; S115-T117 PolarHBondContact O-N 3.19Å; T117-S119 PolarHBondContact O-N 3.01Å
118	E	42.9	Very low	52.3	Low	152 Å²	152	102.7 Å²	102.7	71%	0.71	56%	0.564	S	S	*	*			trans	-53.4	106.4	163.5	-77.3	-175.5	157.2	0	0	107.9	S115 T116 I120	S115-E118 PolarHBondContact O-N 2.85Å; T116-E118 VanDerWaalsContact C-N 3.25Å; E118-I120 PolarHBondContact O-N 3.43Å
119	S	48.2	Very low	55	Low	101 Å²	101	92.6 Å²	92.6	71%	0.706	53%	0.528	S	S	*	.			trans	37	73.9	162.6	59.7	0	0	0	0	116.3	T117 S121	T117-S119 PolarHBondContact O-N 3.01Å; S119-S121 PolarHBondContact O-N 3.1Å
120	I	60.7	Low	57.7	Low	40 Å²	40	91.4 Å²	91.4	21%	0.205	52%	0.519	C	S	.	.			trans	-71	73.1	159.4	-59.8	171.3	0	0	0	107.1	E118 I190 V192 I207 Q210	E118-I120 PolarHBondContact O-N 3.43Å; I120-I190 HydrophobicContact CG2-CG2 3.35Å; I120-V192 HydrophobicContact CD1-CG2 4.43Å; I120-V192 HydrophobicContact CG2-CG2 4.34Å; I120-I207 HydrophobicContact CD1-CD1 4.03Å; I120-I207 HydrophobicContact CD1-CG1 3.59Å; I120-Q210 PolarHBondContact O-NE2 2.9Å; I120-Q210 PolarHBondContact O-OE1 2.88Å
121	S	66.8	Low	60.4	Low	90 Å²	90	87.9 Å²	87.9	63%	0.629	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-74.5	130.8	-177.8	58.9	0	0	0	0	110.4	S119 R123	S119-S121 PolarHBondContact O-N 3.1Å; S121-R123 PolarHBondContact O-N 3.26Å
122	A	75.5	Confident	63.1	Low	34 Å²	34	81.2 Å²	81.2	28%	0.281	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-60.2	122.6	171.5	0	0	0	0	0	110	K188 I190	A122-K188 HydrophobicContact CB-CB 4.23Å; A122-K188 HydrophobicContact CB-CD 4.21Å; A122-I190 HydrophobicContact CB-CD1 4.3Å; A122-I190 HydrophobicContact CB-CG1 3.91Å
123	R	82.9	Confident	65.7	Low	151 Å²	151	80 Å²	80	57%	0.57	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.8	-178.1	-176.9	178.6	178.5	-160.3	0.3	110.1	S121 E179 I189	S121-R123 PolarHBondContact O-N 3.26Å; R123-E179 IonicContact NH1-OE1 3.75Å; R123-I189 HydrophobicContact CB-CG2 4.1Å; R123-I189 PolarHBondContact N-O 2.92Å; R123-I189 PolarHBondContact O-N 3.34Å
124	C	79	Confident	68.1	Low	95 Å²	95	77.2 Å²	77.2	64%	0.642	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	135.1	165.2	-65.9	0	0	0	0	109.4
125	V	82.8	Confident	70.6	Confident	22 Å²	22	72.4 Å²	72.4	13%	0.133	43%	0.429	C	S	.	.			trans	-104.1	138.7	-178.4	179.6	0	0	0	0	109.8	S127 E179 I189	V125-S127 WeakPolarHBondContact CG1-OG 3.15Å; V125-E179 HydrophobicContact CG1-CB 3.89Å; V125-E179 HydrophobicContact CG1-CG 4.49Å; V125-E179 WeakPolarHBondContact CG1-O 3.42Å; V125-E179 HydrophobicContact CG2-CB 4.39Å; V125-E179 HydrophobicContact CG2-CG 4.26Å; V125-I189 HydrophobicContact CG2-CG2 3.64Å
126	S	79.9	Confident	72.8	Confident	118 Å²	118	69.2 Å²	69.2	83%	0.825	41%	0.407	S	S	*	.			trans	-95.1	-19	179.9	57.6	0	0	0	0	114.5
127	S	84.5	Confident	74.9	Confident	30 Å²	30	65.1 Å²	65.1	21%	0.21	38%	0.383	C	S	.	.			trans	-73.2	146.2	-179.2	57.5	0	0	0	0	112	V125 A180 G183	V125-S127 WeakPolarHBondContact CG1-OG 3.15Å; S127-A180 WeakPolarHBondContact O-CA 3.39Å; S127-G183 WeakPolarHBondContact O-CA 3.49Å
128	T	87.6	Confident	77	Confident	38 Å²	38	64.8 Å²	64.8	23%	0.233	39%	0.386	C	S	.	.			trans	-121.2	161.9	-177.1	67.2	0	0	0	0	112.2	S130 D131 I132	T128-S130 PolarHBondContact O-N 3.42Å; T128-S130 PolarHBondContact OG1-OG 2.99Å; T128-D131 PolarHBondContact N-OD2 2.94Å; T128-D131 WeakPolarHBondContact O-CB 3.11Å; T128-D131 PolarHBondContact O-N 3.46Å; T128-D131 PolarHBondContact OG1-OD1 3.33Å; T128-D131 PolarHBondContact OG1-OD2 3.45Å; T128-I132 PolarHBondContact O-N 2.87Å
129	L	82.3	Confident	79.1	Confident	19 Å²	19	61.6 Å²	61.6	10%	0.099	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.7	178	-105.3	70.1	0	0	0	113.1	R141 K145 A180 A181 T184	L129-R141 HydrophobicContact CD2-CB 4.12Å; L129-R141 PolarHBondContact O-NH1 3.33Å; L129-R141 VanDerWaalsContact O-NH1 3.13Å; L129-K145 HydrophobicContact CD2-CB 4.13Å; L129-K145 HydrophobicContact CD2-CD 4.4Å; L129-A180 HydrophobicContact CD1-CB 4.06Å; L129-A180 VanDerWaalsContact CD1-O 3.23Å; L129-A180 WeakPolarHBondContact CD1-O 3.42Å; L129-A181 HydrophobicContact CD1-CB 3.9Å; L129-A181 VanDerWaalsContact CD1-N 3.29Å; L129-T184 HydrophobicContact CB-CG2 4.43Å; L129-T184 WeakPolarHBondContact CB-OG1 3.26Å; L129-T184 WeakPolarHBondContact CD1-OG1 3.35Å; L129-T184 PolarHBondContact N-OG1 3.39Å
130	S	83.1	Confident	81	Confident	81 Å²	81	57.6 Å²	57.6	57%	0.566	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-40.9	172.3	19.6	0	0	0	0	111.7	T128 I132 S133	T128-S130 PolarHBondContact O-N 3.42Å; T128-S130 PolarHBondContact OG1-OG 2.99Å; S130-I132 VanDerWaalsContact C-N 3.28Å; S130-I132 PolarHBondContact O-N 3.26Å; S130-S133 WeakPolarHBondContact O-CB 3.37Å; S130-S133 PolarHBondContact O-N 2.92Å; S130-S133 PolarHBondContact O-OG 3.41Å
131	D	83.4	Confident	82.4	Confident	101 Å²	101	58 Å²	58	54%	0.54	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-33	-177	-52.7	-33	0	0	0	111.6	T128 S133	T128-D131 PolarHBondContact N-OD2 2.94Å; T128-D131 WeakPolarHBondContact O-CB 3.11Å; T128-D131 PolarHBondContact O-N 3.46Å; T128-D131 PolarHBondContact OG1-OD1 3.33Å; T128-D131 PolarHBondContact OG1-OD2 3.45Å; D131-S133 VanDerWaalsContact C-N 3.26Å; D131-S133 PolarHBondContact O-N 3.36Å
132	I	81.7	Confident	83.5	Confident	17 Å²	17	61 Å²	61	9%	0.087	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	12.5	-177.3	-51.4	-158.7	0	0	0	111.4	T128 S130 H134 T135 V136 T176 A180	T128-I132 PolarHBondContact O-N 2.87Å; S130-I132 VanDerWaalsContact C-N 3.28Å; S130-I132 PolarHBondContact O-N 3.26Å; I132-H134 PolarHBondContact O-N 3.35Å; I132-H134 VanDerWaalsContact O-N 3.16Å; I132-T135 WeakPolarHBondContact CG2-OG1 3.43Å; I132-T135 PolarHBondContact O-N 3.33Å; I132-T135 PolarHBondContact O-OG1 3.38Å; I132-V136 HydrophobicContact CG2-CB 3.88Å; I132-V136 HydrophobicContact CG2-CG2 3.38Å; I132-V136 PolarHBondContact O-N 3.41Å; I132-V136 VanDerWaalsContact O-N 3.1Å; I132-T176 WeakPolarHBondContact CD1-O 3.18Å; I132-A180 HydrophobicContact CB-CB 4.5Å; I132-A180 HydrophobicContact CD1-CB 3.27Å; I132-A180 HydrophobicContact CG1-CB 3.78Å
133	S	81.3	Confident	84.3	Confident	43 Å²	43	63.9 Å²	63.9	30%	0.301	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.4	-173.5	61.8	0	0	0	0	115.1	S130 D131 R141	S130-S133 WeakPolarHBondContact O-CB 3.37Å; S130-S133 PolarHBondContact O-N 2.92Å; S130-S133 PolarHBondContact O-OG 3.41Å; D131-S133 VanDerWaalsContact C-N 3.26Å; D131-S133 PolarHBondContact O-N 3.36Å; S133-R141 VanDerWaalsContact CA-NH1 3.3Å; S133-R141 PolarHBondContact O-NH2 2.95Å
134	H	79.4	Confident	84.7	Confident	107 Å²	107	56.7 Å²	56.7	50%	0.495	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-31.2	-180	-60.2	-80	0	0	0	113.3	I132	I132-H134 PolarHBondContact O-N 3.35Å; I132-H134 VanDerWaalsContact O-N 3.16Å
135	T	81.7	Confident	85.2	Confident	32 Å²	32	57.6 Å²	57.6	20%	0.196	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-31.2	-174.4	53.1	0	0	0	0	112.6	I132 L294 V338	I132-T135 WeakPolarHBondContact CG2-OG1 3.43Å; I132-T135 PolarHBondContact O-N 3.33Å; I132-T135 PolarHBondContact O-OG1 3.38Å; T135-L294 HydrophobicContact CG2-CD1 4.46Å; T135-V338 HydrophobicContact CG2-CG1 3.76Å; T135-V338 VanDerWaalsContact O-CG2 3.31Å; T135-V338 WeakPolarHBondContact O-CG2 3.47Å
136	V	85.4	Confident	85.5	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	33%	0.329	C	S	.	.	S	Bend	trans	-115.8	130	-177.4	-178	0	0	0	0	111.7	I132 L140 R141 L177 F283	I132-V136 HydrophobicContact CG2-CB 3.88Å; I132-V136 HydrophobicContact CG2-CG2 3.38Å; I132-V136 PolarHBondContact O-N 3.41Å; I132-V136 VanDerWaalsContact O-N 3.1Å; V136-L140 HydrophobicContact CG1-CB 4.02Å; V136-L140 HydrophobicContact CG1-CD1 4.38Å; V136-R141 HydrophobicContact CB-CG 4.25Å; V136-R141 HydrophobicContact CG1-CG 3.99Å; V136-R141 PolarHBondContact O-NE 3.21Å; V136-R141 VanDerWaalsContact O-NE 3.08Å; V136-L177 HydrophobicContact CG1-CD1 3.97Å; V136-L177 HydrophobicContact CG1-CD2 4.24Å; V136-L177 HydrophobicContact CG2-CB 4.45Å; V136-F283 HydrophobicContact CG1-CE1 4.14Å; V136-F283 HydrophobicContact CG1-CZ 4.38Å; V136-F283 HydrophobicContact CG2-CE1 4.18Å
137	P	83.5	Confident	86	Confident	33 Å²	33	53.2 Å²	53.2	21%	0.214	29%	0.291	C	S	.	.			trans	-50.8	143.7	175.8	-28.5	34.4	0	0	0	113.7	D139 L140 R141	P137-D139 PolarHBondContact O-N 2.87Å; P137-L140 HydrophobicContact CG-CD1 4.49Å; P137-L140 PolarHBondContact O-N 3.01Å; P137-R141 PolarHBondContact O-N 3.37Å
138	A	84.9	Confident	86.1	Confident	54 Å²	54	51.8 Å²	51.8	45%	0.446	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-31.8	-177.6	0	0	0	0	0	113.2	R141 R142	A138-R141 PolarHBondContact O-N 3.34Å; A138-R142 WeakPolarHBondContact O-CB 3.45Å; A138-R142 PolarHBondContact O-N 2.76Å
139	D	85.6	Confident	86	Confident	85 Å²	85	51.5 Å²	51.5	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-44.6	-179.8	-62.7	-41.8	0	0	0	112.3	P137 R142 Q143	P137-D139 PolarHBondContact O-N 2.87Å; D139-R142 PolarHBondContact O-N 3.45Å; D139-R142 IonicContact OD1-CZ 2.98Å; D139-R142 VanDerWaalsContact OD1-CZ 3.24Å; D139-R142 IonicContact OD1-NH1 2.66Å; D139-R142 PolarHBondContact OD1-NH1 2.95Å; D139-R142 IonicContact OD1-NH2 3.13Å; D139-R142 PolarHBondContact OD1-NH2 3.43Å; D139-Q143 WeakPolarHBondContact O-CB 3.32Å; D139-Q143 VanDerWaalsContact O-CG 3.27Å; D139-Q143 WeakPolarHBondContact O-CG 3.14Å; D139-Q143 PolarHBondContact O-N 3.42Å
140	L	88.4	Confident	86.1	Confident	17 Å²	17	53.1 Å²	53.1	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-41.2	176.3	-68.5	177.1	0	0	0	111.2	V136 P137 R142 Q143 I144 L177 F283	V136-L140 HydrophobicContact CG1-CB 4.02Å; V136-L140 HydrophobicContact CG1-CD1 4.38Å; P137-L140 HydrophobicContact CG-CD1 4.49Å; P137-L140 PolarHBondContact O-N 3.01Å; L140-R142 VanDerWaalsContact C-N 3.33Å; L140-R142 PolarHBondContact O-N 2.63Å; L140-Q143 PolarHBondContact O-N 3.12Å; L140-I144 WeakPolarHBondContact O-CG2 3.17Å; L140-I144 PolarHBondContact O-N 2.81Å; L140-L177 HydrophobicContact CB-CD2 4.35Å; L140-F283 HydrophobicContact CD1-CD1 3.82Å; L140-F283 HydrophobicContact CD1-CD2 4.18Å; L140-F283 HydrophobicContact CD1-CE1 4.01Å; L140-F283 HydrophobicContact CD1-CE2 4.33Å; L140-F283 HydrophobicContact CD1-CG 3.93Å; L140-F283 HydrophobicContact CD1-CZ 4.28Å
141	R	90.2	Very high	86.1	Confident	50 Å²	50	51.2 Å²	51.2	19%	0.189	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-41	174.5	-70	-170.3	-73.4	145.1	-0.8	112	L129 S133 V136 P137 A138 I144 K145 L177	L129-R141 HydrophobicContact CD2-CB 4.12Å; L129-R141 PolarHBondContact O-NH1 3.33Å; L129-R141 VanDerWaalsContact O-NH1 3.13Å; S133-R141 VanDerWaalsContact CA-NH1 3.3Å; S133-R141 PolarHBondContact O-NH2 2.95Å; V136-R141 HydrophobicContact CB-CG 4.25Å; V136-R141 HydrophobicContact CG1-CG 3.99Å; V136-R141 PolarHBondContact O-NE 3.21Å; V136-R141 VanDerWaalsContact O-NE 3.08Å; P137-R141 PolarHBondContact O-N 3.37Å; A138-R141 PolarHBondContact O-N 3.34Å; R141-I144 WeakPolarHBondContact O-CG2 3.47Å; R141-K145 WeakPolarHBondContact O-CB 3.49Å; R141-K145 PolarHBondContact O-N 2.85Å; R141-K145 VanDerWaalsContact O-N 3.16Å; R141-L177 HydrophobicContact CG-CD1 4.06Å
142	R	90.6	Very high	86.1	Confident	151 Å²	151	48 Å²	48	57%	0.57	26%	0.259	S	S	*	.	H	α-helix	trans	-67.9	-43.2	176.8	-174.1	173	66.9	-105.9	-1.1	111.8	A138 D139 L140 G146	A138-R142 WeakPolarHBondContact O-CB 3.45Å; A138-R142 PolarHBondContact O-N 2.76Å; D139-R142 PolarHBondContact O-N 3.45Å; D139-R142 IonicContact OD1-CZ 2.98Å; D139-R142 VanDerWaalsContact OD1-CZ 3.24Å; D139-R142 IonicContact OD1-NH1 2.66Å; D139-R142 PolarHBondContact OD1-NH1 2.95Å; D139-R142 IonicContact OD1-NH2 3.13Å; D139-R142 PolarHBondContact OD1-NH2 3.43Å; L140-R142 VanDerWaalsContact C-N 3.33Å; L140-R142 PolarHBondContact O-N 2.63Å; R142-G146 PolarHBondContact O-N 2.65Å
143	Q	91.2	Very high	85.7	Confident	96 Å²	96	53 Å²	53	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-65.4	-48	-179.4	-74.1	172.7	0.1	0	0	112.1	D139 L140 K145 G146 F147 L281	D139-Q143 WeakPolarHBondContact O-CB 3.32Å; D139-Q143 VanDerWaalsContact O-CG 3.27Å; D139-Q143 WeakPolarHBondContact O-CG 3.14Å; D139-Q143 PolarHBondContact O-N 3.42Å; L140-Q143 PolarHBondContact O-N 3.12Å; Q143-K145 PolarHBondContact O-N 3.2Å; Q143-G146 PolarHBondContact O-N 2.9Å; Q143-F147 WeakPolarHBondContact O-CB 3.22Å; Q143-F147 PolarHBondContact O-N 3Å; Q143-L281 HydrophobicContact CB-CD2 3.81Å; Q143-L281 HydrophobicContact CG-CD2 4.46Å
144	I	92.1	Very high	85.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-40.2	178.6	-161.4	170.4	0	0	0	111.5	L140 R141 F147 L148 L164 I166 L177 A181 L281	L140-I144 WeakPolarHBondContact O-CG2 3.17Å; L140-I144 PolarHBondContact O-N 2.81Å; R141-I144 WeakPolarHBondContact O-CG2 3.47Å; I144-F147 PolarHBondContact O-N 3.1Å; I144-L148 HydrophobicContact CG1-CD1 4.21Å; I144-L148 HydrophobicContact CG1-CG 4.5Å; I144-L148 WeakPolarHBondContact O-CB 3.23Å; I144-L148 WeakPolarHBondContact O-CG 3.44Å; I144-L148 PolarHBondContact O-N 3.04Å; I144-L164 HydrophobicContact CD1-CD2 4.46Å; I144-L164 HydrophobicContact CG1-CD2 4.09Å; I144-I166 HydrophobicContact CD1-CD1 3.94Å; I144-L177 HydrophobicContact CD1-CD2 4.26Å; I144-L177 HydrophobicContact CD1-CG 3.98Å; I144-L177 HydrophobicContact CG2-CD1 3.97Å; I144-L177 HydrophobicContact CG2-CG 4.32Å; I144-A181 HydrophobicContact CD1-CB 4.01Å; I144-A181 HydrophobicContact CG1-CB 4.29Å; I144-A181 HydrophobicContact CG2-CB 4.26Å; I144-L281 HydrophobicContact CB-CD1 4.12Å; I144-L281 HydrophobicContact CG1-CD1 4.47Å
145	K	89.7	Confident	84.5	Confident	113 Å²	113	56 Å²	56	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-45	175.6	-175.8	178.9	179.9	179	0	111.3	L129 R141 Q143 A149	L129-K145 HydrophobicContact CD2-CB 4.13Å; L129-K145 HydrophobicContact CD2-CD 4.4Å; R141-K145 WeakPolarHBondContact O-CB 3.49Å; R141-K145 PolarHBondContact O-N 2.85Å; R141-K145 VanDerWaalsContact O-N 3.16Å; Q143-K145 PolarHBondContact O-N 3.2Å; K145-A149 VanDerWaalsContact O-CB 3.24Å; K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 3.22Å
146	G	88.6	Confident	83.8	Confident	42 Å²	42	60.3 Å²	60.3	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-43.2	177.6	0	0	0	0	0	112.6	R142 Q143 C150	R142-G146 PolarHBondContact O-N 2.65Å; Q143-G146 PolarHBondContact O-N 2.9Å; G146-C150 VanDerWaalsContact O-CB 3.27Å; G146-C150 WeakPolarHBondContact O-CB 3.43Å; G146-C150 PolarHBondContact O-N 3.01Å
147	F	89.7	Confident	82.9	Confident	7 Å²	7	63.7 Å²	63.7	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-50.7	176.6	176.5	-102.4	0	0	0	112.1	Q143 I144 C150 H151 P162 L164 V257 Q279	Q143-F147 WeakPolarHBondContact O-CB 3.22Å; Q143-F147 PolarHBondContact O-N 3Å; I144-F147 PolarHBondContact O-N 3.1Å; F147-C150 PolarHBondContact O-N 3.27Å; F147-H151 AromaticContact CD2-CD2 3.56Å; F147-H151 AromaticContact CD2-NE2 3.81Å; F147-H151 AromaticContact CE2-CD2 3.26Å; F147-H151 WeakPolarHBondContact CE2-CD2 3.41Å; F147-H151 AromaticContact CE2-NE2 3.27Å; F147-H151 VanDerWaalsContact CE2-NE2 3.27Å; F147-H151 WeakPolarHBondContact CE2-NE2 3.2Å; F147-H151 AromaticContact CZ-CD2 3.59Å; F147-H151 AromaticContact CZ-NE2 3.88Å; F147-H151 PolarHBondContact O-CD2 3.25Å; F147-H151 PolarHBondContact O-N 3.24Å; F147-P162 HydrophobicContact CZ-CB 4.44Å; F147-L164 HydrophobicContact CD1-CB 4.16Å; F147-L164 HydrophobicContact CD1-CD1 4.49Å; F147-L164 HydrophobicContact CD1-CD2 3.8Å; F147-L164 HydrophobicContact CD1-CG 4.4Å; F147-L164 HydrophobicContact CE1-CB 3.59Å; F147-L164 HydrophobicContact CE1-CD2 4.07Å; F147-L164 HydrophobicContact CE1-CG 4.31Å; F147-L164 HydrophobicContact CG-CD2 4.43Å; F147-L164 HydrophobicContact CZ-CB 3.85Å; F147-V257 HydrophobicContact CE1-CG1 3.62Å; F147-V257 HydrophobicContact CZ-CG1 4.35Å; F147-Q279 HydrophobicContact CD2-CB 4.45Å; F147-Q279 HydrophobicContact CD2-CG 4.19Å; F147-Q279 HydrophobicContact CE2-CB 4.24Å; F147-Q279 HydrophobicContact CE2-CG 4.03Å
148	L	88.4	Confident	82.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-65	-41.3	-179.8	-68.5	175.8	0	0	0	111.9	I144 C150 H151 L152 A181 L185 I218 V257 I259	I144-L148 HydrophobicContact CG1-CD1 4.21Å; I144-L148 HydrophobicContact CG1-CG 4.5Å; I144-L148 WeakPolarHBondContact O-CB 3.23Å; I144-L148 WeakPolarHBondContact O-CG 3.44Å; I144-L148 PolarHBondContact O-N 3.04Å; L148-C150 VanDerWaalsContact C-N 3.32Å; L148-C150 PolarHBondContact O-N 2.7Å; L148-H151 PolarHBondContact O-N 3.38Å; L148-L152 HydrophobicContact CD2-CD1 4.3Å; L148-L152 WeakPolarHBondContact O-CB 3.03Å; L148-L152 PolarHBondContact O-N 3.41Å; L148-A181 HydrophobicContact CD1-CB 3.71Å; L148-L185 HydrophobicContact CB-CD1 3.48Å; L148-L185 VanDerWaalsContact CB-CD1 3.48Å; L148-L185 HydrophobicContact CD1-CD1 3.78Å; L148-L185 HydrophobicContact CG-CD1 4.26Å; L148-I218 HydrophobicContact CD1-CD1 3.93Å; L148-I218 HydrophobicContact CD2-CD1 3.81Å; L148-I218 HydrophobicContact CD2-CG1 4.21Å; L148-V257 HydrophobicContact CD2-CB 4.33Å; L148-V257 HydrophobicContact CD2-CG1 3.91Å; L148-V257 HydrophobicContact CD2-CG2 4.29Å; L148-I259 HydrophobicContact CD2-CD1 4.34Å
149	A	84.6	Confident	82	Confident	32 Å²	32	68.1 Å²	68.1	26%	0.264	38%	0.381	S	S	.	.	I	π-helix	trans	-61.5	-40	176	0	0	0	0	0	112.2	K145 H151 L153 S154	K145-A149 VanDerWaalsContact O-CB 3.24Å; K145-A149 WeakPolarHBondContact O-CB 3.39Å; K145-A149 PolarHBondContact O-N 3.22Å; A149-H151 VanDerWaalsContact C-N 3.31Å; A149-H151 PolarHBondContact O-N 3.27Å; A149-L153 HydrophobicContact CB-CD1 4.21Å; A149-L153 CarbonylContact O-C 3.58Å; A149-L153 WeakPolarHBondContact O-CA 3.26Å; A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 PolarHBondContact O-N 2.98Å; A149-S154 PolarHBondContact O-N 2.95Å
150	C	84.1	Confident	81.8	Confident	52 Å²	52	67.1 Å²	67.1	35%	0.351	38%	0.378	S	S	.	.	I	π-helix	trans	-72.2	-20.2	-179.7	-162.3	0	0	0	0	114.1	G146 F147 L148 S154 L158	G146-C150 VanDerWaalsContact O-CB 3.27Å; G146-C150 WeakPolarHBondContact O-CB 3.43Å; G146-C150 PolarHBondContact O-N 3.01Å; F147-C150 PolarHBondContact O-N 3.27Å; L148-C150 VanDerWaalsContact C-N 3.32Å; L148-C150 PolarHBondContact O-N 2.7Å; C150-S154 WeakPolarHBondContact CA-OG 3.5Å; C150-S154 PolarHBondContact O-OG 3.49Å; C150-L158 VanDerWaalsContact SG-CD1 3.53Å
151	H	83.8	Confident	81.4	Confident	41 Å²	41	69.7 Å²	69.7	19%	0.19	39%	0.386	C	S	.	.	I	π-helix	trans	-105.7	-24.7	179.9	-77.1	-66	0	0	0	114	F147 L148 A149 P162 V257	F147-H151 AromaticContact CD2-CD2 3.56Å; F147-H151 AromaticContact CD2-NE2 3.81Å; F147-H151 AromaticContact CE2-CD2 3.26Å; F147-H151 WeakPolarHBondContact CE2-CD2 3.41Å; F147-H151 AromaticContact CE2-NE2 3.27Å; F147-H151 VanDerWaalsContact CE2-NE2 3.27Å; F147-H151 WeakPolarHBondContact CE2-NE2 3.2Å; F147-H151 AromaticContact CZ-CD2 3.59Å; F147-H151 AromaticContact CZ-NE2 3.88Å; F147-H151 PolarHBondContact O-CD2 3.25Å; F147-H151 PolarHBondContact O-N 3.24Å; L148-H151 PolarHBondContact O-N 3.38Å; A149-H151 VanDerWaalsContact C-N 3.31Å; A149-H151 PolarHBondContact O-N 3.27Å; H151-P162 HydrophobicContact CB-CB 3.9Å; H151-V257 HydrophobicContact CB-CG2 4.14Å
152	L	82.2	Confident	81.3	Confident	35 Å²	35	67.8 Å²	67.8	18%	0.183	38%	0.381	C	S	.	.	I	π-helix	trans	-113.1	-29	-175.8	-66.3	173.5	0	0	0	114.2	L148 L187 P216 G255 V257	L148-L152 HydrophobicContact CD2-CD1 4.3Å; L148-L152 WeakPolarHBondContact O-CB 3.03Å; L148-L152 PolarHBondContact O-N 3.41Å; L152-L187 HydrophobicContact CD1-CD1 3.31Å; L152-L187 HydrophobicContact CD1-CD2 4.06Å; L152-L187 HydrophobicContact CD1-CG 4.33Å; L152-P216 HydrophobicContact CD2-CB 4.21Å; L152-G255 WeakPolarHBondContact CD2-O 3.34Å; L152-V257 HydrophobicContact CD1-CG2 3.77Å; L152-V257 HydrophobicContact CD2-CG2 3.73Å; L152-V257 HydrophobicContact CG-CG2 3.59Å
153	L	75	Confident	81.2	Confident	121 Å²	121	60.6 Å²	60.6	63%	0.634	35%	0.353	S	S	*	.	I	π-helix	trans	-108.5	-22.7	-174	-64.1	174.8	0	0	0	113.8	A149 L185	A149-L153 HydrophobicContact CB-CD1 4.21Å; A149-L153 CarbonylContact O-C 3.58Å; A149-L153 WeakPolarHBondContact O-CA 3.26Å; A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 PolarHBondContact O-N 2.98Å; L153-L185 HydrophobicContact CD1-CD2 3.96Å
154	S	68.9	Low	81.3	Confident	41 Å²	41	56 Å²	56	29%	0.287	33%	0.332	S	S	.	.			trans	-89.3	134.5	-179.1	57.8	0	0	0	0	112.7	A149 C150 I156	A149-S154 PolarHBondContact O-N 2.95Å; C150-S154 WeakPolarHBondContact CA-OG 3.5Å; C150-S154 PolarHBondContact O-OG 3.49Å; S154-I156 PolarHBondContact O-N 3.21Å; S154-I156 VanDerWaalsContact O-N 3.1Å
155	D	66.2	Low	81.4	Confident	173 Å²	173	56 Å²	56	93%	0.925	33%	0.332	S	S	*	.	S	Bend	trans	-65.8	-8.6	172.3	-63.2	-36.9	0	0	0	113.5	G157	D155-G157 VanDerWaalsContact C-N 3.28Å; D155-G157 PolarHBondContact O-N 3.31Å
156	I	65.7	Low	81.5	Confident	121 Å²	121	50.6 Å²	50.6	62%	0.621	31%	0.309	S	S	*	.			trans	-73.9	85.6	175.6	-51.9	171.4	0	0	0	107.3	S154 L158	S154-I156 PolarHBondContact O-N 3.21Å; S154-I156 VanDerWaalsContact O-N 3.1Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 HydrophobicContact CG2-CD2 4.45Å; I156-L158 PolarHBondContact O-N 3.07Å
157	G	67.4	Low	81.5	Confident	73 Å²	73	49.2 Å²	49.2	75%	0.753	29%	0.291	S	S	*	.			trans	-60.6	90.3	174.5	0	0	0	0	0	111	D155	D155-G157 VanDerWaalsContact C-N 3.28Å; D155-G157 PolarHBondContact O-N 3.31Å
158	L	72.1	Confident	81.3	Confident	64 Å²	64	49 Å²	49	34%	0.335	29%	0.292	S	S	.	.			trans	-66.2	129.9	176.1	-72.5	171.4	0	0	0	109.3	C150 I156 V160	C150-L158 VanDerWaalsContact SG-CD1 3.53Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 HydrophobicContact CG2-CD2 4.45Å; I156-L158 PolarHBondContact O-N 3.07Å; L158-V160 PolarHBondContact O-N 3.2Å
159	P	77.5	Confident	80.9	Confident	116 Å²	116	50 Å²	50	75%	0.753	30%	0.298	S	S	*	.	S	Bend	trans	-77.2	28.9	-179.8	34.2	-37.3	0	0	0	112.5
160	V	81.2	Confident	80.7	Confident	64 Å²	64	50.3 Å²	50.3	39%	0.388	30%	0.297	S	S	.	.	S	Bend	trans	-123.2	132.3	-176.2	179.1	0	0	0	0	107.6	L158 T278	L158-V160 PolarHBondContact O-N 3.2Å; V160-T278 HydrophobicContact CG1-CG2 3.45Å; V160-T278 VanDerWaalsContact CG1-CG2 3.45Å
161	W	80.7	Confident	80.6	Confident	71 Å²	71	54.4 Å²	54.4	27%	0.269	31%	0.309	S	S	.	.			trans	-66.6	133.8	178.9	60.9	86.2	0	0	0	110.4	S163 L248 V252 L276 T278	W161-S163 PolarHBondContact NE1-OG 2.86Å; W161-S163 VanDerWaalsContact NE1-OG 3.08Å; W161-S163 PolarHBondContact O-N 3.44Å; W161-L248 HydrophobicContact CB-CB 4.39Å; W161-L248 VanDerWaalsContact CB-O 3.25Å; W161-L248 WeakPolarHBondContact CB-O 3.5Å; W161-L248 HydrophobicContact CD2-CB 4.22Å; W161-L248 HydrophobicContact CG-CB 3.97Å; W161-L248 HydrophobicContact CG-CD2 4.4Å; W161-V252 HydrophobicContact CB-CG2 3.93Å; W161-L276 PolarHBondContact NE1-O 3.48Å; W161-T278 HydrophobicContact CD2-CG2 4.28Å; W161-T278 HydrophobicContact CG-CG2 4.38Å; W161-T278 HydrophobicContact CZ2-CG2 4.2Å; W161-T278 WeakPolarHBondContact O-CG2 3.43Å; W161-T278 PolarHBondContact O-OG1 3.25Å
162	P	86.5	Confident	80.7	Confident	10 Å²	10	52.6 Å²	52.6	7%	0.065	30%	0.301	C	S	.	.			trans	-77.3	90.4	-174.4	31.3	-36.5	0	0	0	110.4	F147 H151 V256 V257 L258	F147-P162 HydrophobicContact CZ-CB 4.44Å; H151-P162 HydrophobicContact CB-CB 3.9Å; P162-V256 WeakPolarHBondContact CG-O 3Å; P162-V257 HydrophobicContact CB-CB 4.38Å; P162-V257 HydrophobicContact CB-CG1 4.27Å; P162-V257 HydrophobicContact CB-CG2 3.97Å; P162-V257 HydrophobicContact CG-CG2 4.31Å; P162-L258 PolarHBondContact O-N 3.23Å
163	S	90.1	Very high	80.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.3	-179.2	55.6	0	0	0	0	111.9	W161 L258 L276 F277 T278 Q279	W161-S163 PolarHBondContact NE1-OG 2.86Å; W161-S163 VanDerWaalsContact NE1-OG 3.08Å; W161-S163 PolarHBondContact O-N 3.44Å; S163-L258 CarbonylContact C-O 3.59Å; S163-L258 VanDerWaalsContact CA-O 3.32Å; S163-L258 WeakPolarHBondContact CA-O 3.42Å; S163-L276 WeakPolarHBondContact CB-O 3.15Å; S163-L276 PolarHBondContact OG-O 3.44Å; S163-F277 WeakPolarHBondContact OG-CA 3.26Å; S163-T278 PolarHBondContact N-OG1 3.28Å; S163-T278 PolarHBondContact O-N 3.27Å; S163-T278 PolarHBondContact O-OG1 3.33Å; S163-T278 WeakPolarHBondContact OG-CG2 3.46Å; S163-T278 PolarHBondContact OG-N 2.57Å; S163-T278 PolarHBondContact OG-OG1 3.04Å; S163-Q279 PolarHBondContact O-N 3.32Å
164	L	93.1	Very high	81.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.9	-176.3	-176.4	65.8	0	0	0	110.1	I144 F147 I166 L258 I259 G260 F277 Q279 L281	I144-L164 HydrophobicContact CD1-CD2 4.46Å; I144-L164 HydrophobicContact CG1-CD2 4.09Å; F147-L164 HydrophobicContact CD1-CB 4.16Å; F147-L164 HydrophobicContact CD1-CD1 4.49Å; F147-L164 HydrophobicContact CD1-CD2 3.8Å; F147-L164 HydrophobicContact CD1-CG 4.4Å; F147-L164 HydrophobicContact CE1-CB 3.59Å; F147-L164 HydrophobicContact CE1-CD2 4.07Å; F147-L164 HydrophobicContact CE1-CG 4.31Å; F147-L164 HydrophobicContact CG-CD2 4.43Å; F147-L164 HydrophobicContact CZ-CB 3.85Å; L164-I166 HydrophobicContact CD2-CD1 4.34Å; L164-I166 HydrophobicContact CD2-CG1 4.29Å; L164-I166 HydrophobicContact CG-CG1 4.26Å; L164-L258 PolarHBondContact N-O 2.89Å; L164-I259 HydrophobicContact CB-CG1 4.32Å; L164-I259 HydrophobicContact CD2-CD1 4.43Å; L164-I259 HydrophobicContact CD2-CG1 4.48Å; L164-I259 CarbonylContact O-C 3.59Å; L164-I259 WeakPolarHBondContact O-CA 3.07Å; L164-G260 PolarHBondContact O-N 2.9Å; L164-F277 VanDerWaalsContact C-CD1 3.48Å; L164-F277 WeakPolarHBondContact O-CD1 2.7Å; L164-Q279 WeakPolarHBondContact CA-O 3.36Å; L164-Q279 HydrophobicContact CD1-CB 3.67Å; L164-L281 HydrophobicContact CD1-CD1 3.92Å; L164-L281 HydrophobicContact CD1-CG 3.73Å; L164-L281 HydrophobicContact CD2-CD1 3.81Å; L164-L281 HydrophobicContact CG-CD1 4.24Å; L164-L281 HydrophobicContact CG-CG 4.42Å
165	L	93.2	Very high	82.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.3	170.5	-175.6	59.9	0	0	0	109.9	I224 T262 L266 L269 L274 F277 Q279 K280 L281	L165-I224 HydrophobicContact CD1-CD1 3.59Å; L165-T262 HydrophobicContact CD1-CG2 3.83Å; L165-T262 HydrophobicContact CD2-CG2 4.4Å; L165-T262 HydrophobicContact CG-CG2 4.15Å; L165-L266 HydrophobicContact CD2-CD2 3.52Å; L165-L266 HydrophobicContact CG-CD2 4.31Å; L165-L269 HydrophobicContact CD2-CD1 4.18Å; L165-L274 HydrophobicContact CD2-CD2 3.93Å; L165-F277 HydrophobicContact CB-CB 3.75Å; L165-F277 HydrophobicContact CB-CD1 3.93Å; L165-F277 HydrophobicContact CB-CD2 3.91Å; L165-F277 HydrophobicContact CB-CG 3.59Å; L165-F277 HydrophobicContact CD1-CD2 4.15Å; L165-F277 HydrophobicContact CD1-CE2 3.98Å; L165-F277 HydrophobicContact CD1-CZ 4.19Å; L165-F277 HydrophobicContact CD2-CD2 4.11Å; L165-F277 HydrophobicContact CG-CD2 4.29Å; L165-F277 HydrophobicContact CG-CG 4.45Å; L165-Q279 PolarHBondContact N-O 3.18Å; L165-K280 HydrophobicContact CB-CG 4.31Å; L165-K280 CarbonylContact O-C 3.52Å; L165-K280 WeakPolarHBondContact O-CA 3.46Å; L165-L281 PolarHBondContact O-N 2.99Å
166	I	93	Very high	83.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.2	172.9	-56.4	-173.2	0	0	0	108.3	I144 L164 K174 I178 I259 G260 E261 T262 L281 F283	I144-I166 HydrophobicContact CD1-CD1 3.94Å; L164-I166 HydrophobicContact CD2-CD1 4.34Å; L164-I166 HydrophobicContact CD2-CG1 4.29Å; L164-I166 HydrophobicContact CG-CG1 4.26Å; I166-K174 HydrophobicContact CG2-CB 4.06Å; I166-K174 HydrophobicContact CG2-CD 4.03Å; I166-K174 HydrophobicContact CG2-CG 3.84Å; I166-I178 HydrophobicContact CD1-CD1 3.93Å; I166-I178 HydrophobicContact CD1-CG1 3.58Å; I166-I259 HydrophobicContact CD1-CG2 3.77Å; I166-I259 HydrophobicContact CG1-CG2 3.98Å; I166-G260 PolarHBondContact N-O 3.03Å; I166-E261 WeakPolarHBondContact O-CA 3.05Å; I166-T262 PolarHBondContact O-N 2.77Å; I166-L281 CarbonylContact C-O 3.58Å; I166-L281 WeakPolarHBondContact CA-O 3.35Å; I166-L281 HydrophobicContact CG1-CB 4.42Å; I166-F283 HydrophobicContact CG2-CD2 3.77Å; I166-F283 HydrophobicContact CG2-CE2 3.5Å; I166-F283 VanDerWaalsContact CG2-CE2 3.5Å
167	N	88.6	Confident	84.9	Confident	12 Å²	12	35.5 Å²	35.5	6%	0.064	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.2	174.7	176.6	28.8	0	0	0	110.4	T262 S264 L266 L281 T282 F283	N167-T262 HydrophobicContact CB-CG2 3.57Å; N167-S264 PolarHBondContact OD1-O 2.54Å; N167-L266 HydrophobicContact CB-CD2 3.78Å; N167-L266 HydrophobicContact CB-CG 4.15Å; N167-L266 PolarHBondContact ND2-N 3.11Å; N167-L281 PolarHBondContact N-O 3.27Å; N167-T282 HydrophobicContact CB-CG2 4.33Å; N167-T282 CarbonylContact O-C 3.58Å; N167-T282 WeakPolarHBondContact O-CA 3.39Å; N167-F283 PolarHBondContact O-N 3.37Å
168	G	85.5	Confident	86	Confident	4 Å²	4	32 Å²	32	4%	0.041	18%	0.18	C	C	.	.			trans	175.8	164.6	174	0	0	0	0	0	113.1	K174 T262	G168-K174 PolarHBondContact O-NZ 2.9Å; G168-T262 PolarHBondContact N-O 3.1Å
169	P	79.5	Confident	86.9	Confident	21 Å²	21	31 Å²	31	14%	0.136	17%	0.174	C	C	.	.			trans	-56.9	157.2	172.4	23.8	-31.5	0	0	0	111.8	C172 K174 M285 E337 V427	P169-C172 HydrophobicContact CG-CB 4.08Å; P169-C172 PolarHBondContact O-SG 3.17Å; P169-K174 PolarHBondContact O-NZ 3.47Å; P169-M285 HydrophobicContact CG-SD 4.36Å; P169-E337 HydrophobicContact CB-CG 3.95Å; P169-E337 VanDerWaalsContact CG-CD 3.47Å; P169-E337 HydrophobicContact CG-CG 3.61Å; P169-E337 WeakPolarHBondContact CG-OE1 3.45Å; P169-V427 HydrophobicContact CB-CG2 3.87Å
170	P	80.3	Confident	87.5	Confident	37 Å²	37	25.5 Å²	25.5	24%	0.24	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	148.1	175.3	27.3	-36.4	0	0	0	110.9	C172 A426	P170-C172 PolarHBondContact O-N 3.47Å; P170-C172 VanDerWaalsContact O-N 3.11Å; P170-A426 HydrophobicContact CB-CB 4.37Å; P170-A426 HydrophobicContact CG-CB 3.49Å; P170-A426 VanDerWaalsContact CG-CB 3.49Å
171	F	83	Confident	87.9	Confident	139 Å²	139	22.6 Å²	22.6	61%	0.61	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	16.2	176.8	-43.5	-67.9	0	0	0	117	G173 G339 A426	F171-G173 PolarHBondContact O-N 2.85Å; F171-G339 PolarHBondContact O-N 3.42Å; F171-A426 HydrophobicContact CD2-CB 4Å; F171-A426 HydrophobicContact CE2-CB 4.22Å
172	C	84	Confident	88.3	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.014	11%	0.108	C	C	.	.	S	Bend	trans	-78.2	-3.5	172.9	67.4	0	0	0	0	114.7	P169 P170 K174 F283 E337	P169-C172 HydrophobicContact CG-CB 4.08Å; P169-C172 PolarHBondContact O-SG 3.17Å; P170-C172 PolarHBondContact O-N 3.47Å; P170-C172 VanDerWaalsContact O-N 3.11Å; C172-K174 VanDerWaalsContact SG-CG 3.56Å; C172-F283 HydrophobicContact CB-CB 4.43Å; C172-F283 HydrophobicContact CB-CD1 3.98Å; C172-F283 HydrophobicContact CB-CG 4.43Å; C172-F283 WeakPolarHBondContact O-CE1 3.44Å; C172-F283 VanDerWaalsContact SG-CG 3.57Å; C172-E337 HydrophobicContact CB-CB 4.37Å; C172-E337 HydrophobicContact CB-CG 4.25Å; C172-E337 WeakPolarHBondContact CB-OE2 3.11Å
173	G	87.1	Confident	88.4	Confident	16 Å²	16	19.7 Å²	19.7	17%	0.165	11%	0.114	C	C	.	.	S	Bend	trans	91.3	30.5	177.5	0	0	0	0	0	115.5	F171 T176 L177	F171-G173 PolarHBondContact O-N 2.85Å; G173-T176 WeakPolarHBondContact CA-OG1 3.46Å; G173-T176 PolarHBondContact O-N 3.11Å; G173-T176 PolarHBondContact O-OG1 3.24Å; G173-L177 WeakPolarHBondContact O-CB 3.28Å; G173-L177 PolarHBondContact O-N 2.9Å
174	K	90	Very high	88.3	Confident	5 Å²	5	22.3 Å²	22.3	2%	0.022	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-57.7	174.7	-63.8	-176.8	-69.1	-80.6	0	112.1	I166 G168 P169 C172 T176 L177 I178 E261 T262 F283	I166-K174 HydrophobicContact CG2-CB 4.06Å; I166-K174 HydrophobicContact CG2-CD 4.03Å; I166-K174 HydrophobicContact CG2-CG 3.84Å; G168-K174 PolarHBondContact O-NZ 2.9Å; P169-K174 PolarHBondContact O-NZ 3.47Å; C172-K174 VanDerWaalsContact SG-CG 3.56Å; K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.84Å; K174-L177 WeakPolarHBondContact O-CB 3.38Å; K174-L177 PolarHBondContact O-N 2.88Å; K174-L177 VanDerWaalsContact O-N 3.11Å; K174-I178 WeakPolarHBondContact O-CG1 3.41Å; K174-I178 PolarHBondContact O-N 2.9Å; K174-I178 VanDerWaalsContact O-N 3.08Å; K174-E261 HydrophobicContact CB-CG 3.98Å; K174-E261 WeakPolarHBondContact CB-OE1 3.39Å; K174-E261 HydrophobicContact CD-CG 3.88Å; K174-E261 WeakPolarHBondContact CE-OE1 3.23Å; K174-T262 WeakPolarHBondContact CE-O 3.43Å; K174-F283 HydrophobicContact CB-CE2 4.26Å; K174-F283 HydrophobicContact CG-CD2 3.75Å; K174-F283 HydrophobicContact CG-CE2 3.71Å; K174-F283 HydrophobicContact CG-CG 4.39Å; K174-F283 HydrophobicContact CG-CZ 4.29Å
175	T	90	Very high	88	Confident	52 Å²	52	24.6 Å²	24.6	32%	0.319	14%	0.142	S	C	.	.	H	α-helix	trans	-58.2	-42.7	177.9	-40.6	0	0	0	0	111.4	L177 I178 E179 E261	T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 3.44Å; T175-I178 PolarHBondContact O-N 2.87Å; T175-E179 WeakPolarHBondContact O-CB 3.14Å; T175-E179 WeakPolarHBondContact O-CG 3.36Å; T175-E179 PolarHBondContact O-N 2.92Å; T175-E261 PolarHBondContact N-OE2 3.29Å; T175-E261 PolarHBondContact OG1-OE1 3.19Å; T175-E261 PolarHBondContact OG1-OE2 3.49Å
176	T	88.9	Confident	87.6	Confident	58 Å²	58	27.9 Å²	27.9	36%	0.356	18%	0.176	S	C	.	.	H	α-helix	trans	-63.2	-37.2	177.9	56.3	0	0	0	0	112.3	I132 G173 K174 A180	I132-T176 WeakPolarHBondContact CD1-O 3.18Å; G173-T176 WeakPolarHBondContact CA-OG1 3.46Å; G173-T176 PolarHBondContact O-N 3.11Å; G173-T176 PolarHBondContact O-OG1 3.24Å; K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.84Å; T176-A180 WeakPolarHBondContact O-CB 3.38Å; T176-A180 PolarHBondContact O-N 3.3Å
177	L	91.3	Very high	87.3	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-43.3	174.8	176.9	61.7	0	0	0	111.6	V136 L140 R141 I144 G173 K174 T175 A181 F283	V136-L177 HydrophobicContact CG1-CD1 3.97Å; V136-L177 HydrophobicContact CG1-CD2 4.24Å; V136-L177 HydrophobicContact CG2-CB 4.45Å; L140-L177 HydrophobicContact CB-CD2 4.35Å; R141-L177 HydrophobicContact CG-CD1 4.06Å; I144-L177 HydrophobicContact CD1-CD2 4.26Å; I144-L177 HydrophobicContact CD1-CG 3.98Å; I144-L177 HydrophobicContact CG2-CD1 3.97Å; I144-L177 HydrophobicContact CG2-CG 4.32Å; G173-L177 WeakPolarHBondContact O-CB 3.28Å; G173-L177 PolarHBondContact O-N 2.9Å; K174-L177 WeakPolarHBondContact O-CB 3.38Å; K174-L177 PolarHBondContact O-N 2.88Å; K174-L177 VanDerWaalsContact O-N 3.11Å; T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 3.44Å; L177-A181 VanDerWaalsContact O-CB 3.3Å; L177-A181 WeakPolarHBondContact O-CB 3.27Å; L177-A181 PolarHBondContact O-N 2.81Å; L177-F283 HydrophobicContact CB-CZ 3.95Å; L177-F283 HydrophobicContact CD2-CE2 3.74Å; L177-F283 HydrophobicContact CD2-CZ 3.48Å; L177-F283 VanDerWaalsContact CD2-CZ 3.48Å; L177-F283 HydrophobicContact CG-CZ 4.34Å
178	I	91.4	Very high	87.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-50	178	-62.5	169	0	0	0	109.9	I166 K174 T175 A180 A181 C182 I189 I218 H220 I259	I166-I178 HydrophobicContact CD1-CD1 3.93Å; I166-I178 HydrophobicContact CD1-CG1 3.58Å; K174-I178 WeakPolarHBondContact O-CG1 3.41Å; K174-I178 PolarHBondContact O-N 2.9Å; K174-I178 VanDerWaalsContact O-N 3.08Å; T175-I178 PolarHBondContact O-N 2.87Å; I178-A180 PolarHBondContact O-N 3.47Å; I178-A181 WeakPolarHBondContact O-CB 3.38Å; I178-A181 PolarHBondContact O-N 2.8Å; I178-C182 PolarHBondContact O-N 2.55Å; I178-C182 PolarHBondContact O-SG 2.91Å; I178-I189 HydrophobicContact CG2-CD1 3.81Å; I178-I218 HydrophobicContact CG2-CG2 4.36Å; I178-H220 VanDerWaalsContact CD1-CD2 3.47Å; I178-H220 WeakPolarHBondContact CD1-CD2 3.45Å; I178-H220 WeakPolarHBondContact CD1-NE2 3.3Å; I178-I259 HydrophobicContact CD1-CG2 3.67Å; I178-I259 HydrophobicContact CG1-CG2 4.02Å; I178-I259 HydrophobicContact CG2-CD1 4.2Å
179	E	90.9	Very high	87.6	Confident	44 Å²	44	32.3 Å²	32.3	21%	0.206	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-48.2	179.1	-80.1	-170.8	157.6	0	0	111.9	R123 V125 T175 A181 C182 G183 I189	R123-E179 IonicContact NH1-OE1 3.75Å; V125-E179 HydrophobicContact CG1-CB 3.89Å; V125-E179 HydrophobicContact CG1-CG 4.49Å; V125-E179 WeakPolarHBondContact CG1-O 3.42Å; V125-E179 HydrophobicContact CG2-CB 4.39Å; V125-E179 HydrophobicContact CG2-CG 4.26Å; T175-E179 WeakPolarHBondContact O-CB 3.14Å; T175-E179 WeakPolarHBondContact O-CG 3.36Å; T175-E179 PolarHBondContact O-N 2.92Å; E179-A181 VanDerWaalsContact C-N 3.31Å; E179-A181 PolarHBondContact O-N 2.82Å; E179-C182 WeakPolarHBondContact O-CB 3.47Å; E179-C182 PolarHBondContact O-N 3.4Å; E179-C182 VanDerWaalsContact O-N 3.16Å; E179-G183 PolarHBondContact O-N 2.79Å; E179-I189 HydrophobicContact CG-CD1 4.44Å
180	A	89.5	Confident	88.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-33.6	177.9	0	0	0	0	0	113.6	S127 L129 I132 T176 I178 C182 G183 T184	S127-A180 WeakPolarHBondContact O-CA 3.39Å; L129-A180 HydrophobicContact CD1-CB 4.06Å; L129-A180 VanDerWaalsContact CD1-O 3.23Å; L129-A180 WeakPolarHBondContact CD1-O 3.42Å; I132-A180 HydrophobicContact CB-CB 4.5Å; I132-A180 HydrophobicContact CD1-CB 3.27Å; I132-A180 HydrophobicContact CG1-CB 3.78Å; T176-A180 WeakPolarHBondContact O-CB 3.38Å; T176-A180 PolarHBondContact O-N 3.3Å; I178-A180 PolarHBondContact O-N 3.47Å; A180-C182 VanDerWaalsContact C-N 3.33Å; A180-G183 PolarHBondContact O-N 3.29Å; A180-T184 WeakPolarHBondContact O-CB 3.38Å; A180-T184 PolarHBondContact O-N 3.24Å; A180-T184 PolarHBondContact O-OG1 3.48Å
181	A	89.2	Confident	88.7	Confident	3 Å²	3	32.9 Å²	32.9	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-39.9	174.2	0	0	0	0	0	111.3	L129 I144 L148 L177 I178 E179 L185	L129-A181 HydrophobicContact CD1-CB 3.9Å; L129-A181 VanDerWaalsContact CD1-N 3.29Å; I144-A181 HydrophobicContact CD1-CB 4.01Å; I144-A181 HydrophobicContact CG1-CB 4.29Å; I144-A181 HydrophobicContact CG2-CB 4.26Å; L148-A181 HydrophobicContact CD1-CB 3.71Å; L177-A181 VanDerWaalsContact O-CB 3.3Å; L177-A181 WeakPolarHBondContact O-CB 3.27Å; L177-A181 PolarHBondContact O-N 2.81Å; I178-A181 WeakPolarHBondContact O-CB 3.38Å; I178-A181 PolarHBondContact O-N 2.8Å; E179-A181 VanDerWaalsContact C-N 3.31Å; E179-A181 PolarHBondContact O-N 2.82Å; A181-L185 WeakPolarHBondContact O-CG 3.18Å; A181-L185 PolarHBondContact O-N 2.71Å
182	C	89.7	Confident	89	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-50.3	172.4	-59.5	0	0	0	0	111.2	I178 E179 A180 T184 L185 G186 L187 I218	I178-C182 PolarHBondContact O-N 2.55Å; I178-C182 PolarHBondContact O-SG 2.91Å; E179-C182 WeakPolarHBondContact O-CB 3.47Å; E179-C182 PolarHBondContact O-N 3.4Å; E179-C182 VanDerWaalsContact O-N 3.16Å; A180-C182 VanDerWaalsContact C-N 3.33Å; C182-T184 PolarHBondContact O-N 3.25Å; C182-L185 CarbonylContact O-C 3.49Å; C182-L185 PolarHBondContact O-N 3.22Å; C182-G186 PolarHBondContact O-N 3.05Å; C182-L187 HydrophobicContact CB-CB 4.47Å; C182-L187 PolarHBondContact O-N 3.01Å; C182-I218 HydrophobicContact CB-CD1 4.42Å; C182-I218 WeakPolarHBondContact SG-CD1 3.25Å
183	G	88.5	Confident	89.1	Confident	19 Å²	19	28.1 Å²	28.1	20%	0.196	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-36.3	-176.7	0	0	0	0	0	113.6	S127 E179 A180 L185 G186	S127-G183 WeakPolarHBondContact O-CA 3.49Å; E179-G183 PolarHBondContact O-N 2.79Å; A180-G183 PolarHBondContact O-N 3.29Å; G183-L185 VanDerWaalsContact C-N 3.28Å; G183-L185 PolarHBondContact O-N 3.42Å; G183-G186 PolarHBondContact O-N 3.4Å
184	T	88.2	Confident	89	Confident	55 Å²	55	27.4 Å²	27.4	34%	0.337	17%	0.173	S	C	.	.	H	α-helix	trans	-65	-32.4	175.9	-54.6	0	0	0	0	112.9	L129 A180 C182	L129-T184 HydrophobicContact CB-CG2 4.43Å; L129-T184 WeakPolarHBondContact CB-OG1 3.26Å; L129-T184 WeakPolarHBondContact CD1-OG1 3.35Å; L129-T184 PolarHBondContact N-OG1 3.39Å; A180-T184 WeakPolarHBondContact O-CB 3.38Å; A180-T184 PolarHBondContact O-N 3.24Å; A180-T184 PolarHBondContact O-OG1 3.48Å; C182-T184 PolarHBondContact O-N 3.25Å
185	L	86.3	Confident	88.5	Confident	48 Å²	48	29 Å²	29	25%	0.251	19%	0.191	S	C	.	.	H	α-helix	trans	-95.2	-2.9	179.3	-64	177.6	0	0	0	112.7	L148 L153 A181 C182 G183 L187	L148-L185 HydrophobicContact CB-CD1 3.48Å; L148-L185 VanDerWaalsContact CB-CD1 3.48Å; L148-L185 HydrophobicContact CD1-CD1 3.78Å; L148-L185 HydrophobicContact CG-CD1 4.26Å; L153-L185 HydrophobicContact CD1-CD2 3.96Å; A181-L185 WeakPolarHBondContact O-CG 3.18Å; A181-L185 PolarHBondContact O-N 2.71Å; C182-L185 CarbonylContact O-C 3.49Å; C182-L185 PolarHBondContact O-N 3.22Å; G183-L185 VanDerWaalsContact C-N 3.28Å; G183-L185 PolarHBondContact O-N 3.42Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 HydrophobicContact CB-CD1 3.66Å; L185-L187 HydrophobicContact CB-CG 3.66Å; L185-L187 HydrophobicContact CD1-CD1 3.77Å; L185-L187 HydrophobicContact CG-CD1 4.38Å; L185-L187 PolarHBondContact O-N 3.32Å
186	G	85.2	Confident	88.1	Confident	69 Å²	69	31.5 Å²	31.5	71%	0.711	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	27.9	-176	0	0	0	0	0	114.1	C182 G183	C182-G186 PolarHBondContact O-N 3.05Å; G183-G186 PolarHBondContact O-N 3.4Å
187	L	86.1	Confident	87.8	Confident	14 Å²	14	29.4 Å²	29.4	7%	0.073	19%	0.194	C	C	.	.			trans	-89.5	150.4	-174.6	-61.2	171	0	0	0	112.2	L152 C182 L185 P216 I218	L152-L187 HydrophobicContact CD1-CD1 3.31Å; L152-L187 HydrophobicContact CD1-CD2 4.06Å; L152-L187 HydrophobicContact CD1-CG 4.33Å; C182-L187 HydrophobicContact CB-CB 4.47Å; C182-L187 PolarHBondContact O-N 3.01Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 HydrophobicContact CB-CD1 3.66Å; L185-L187 HydrophobicContact CB-CG 3.66Å; L185-L187 HydrophobicContact CD1-CD1 3.77Å; L185-L187 HydrophobicContact CG-CD1 4.38Å; L185-L187 PolarHBondContact O-N 3.32Å; L187-P216 HydrophobicContact CD2-CB 3.84Å; L187-P216 HydrophobicContact CD2-CG 3.9Å; L187-I218 HydrophobicContact CB-CD1 4.47Å; L187-I218 HydrophobicContact CD1-CD1 3.67Å; L187-I218 HydrophobicContact CD1-CG1 4.24Å
188	K	90.3	Very high	87.3	Confident	92 Å²	92	32.3 Å²	32.3	40%	0.4	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	139.9	169.5	-68	176.6	-176.6	172.2	0	110.3	A122 C217 I218	A122-K188 HydrophobicContact CB-CB 4.23Å; A122-K188 HydrophobicContact CB-CD 4.21Å; K188-C217 HydrophobicContact CB-CB 4.15Å; K188-C217 CarbonylContact O-C 3.56Å; K188-C217 VanDerWaalsContact O-CA 3.29Å; K188-C217 WeakPolarHBondContact O-CA 3.09Å; K188-C217 WeakPolarHBondContact O-CB 3.45Å; K188-I218 PolarHBondContact O-N 3.34Å
189	I	90.9	Very high	86.5	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.4	174.5	-166.4	173.7	0	0	0	110.8	R123 V125 I178 E179 I218 H220	R123-I189 HydrophobicContact CB-CG2 4.1Å; R123-I189 PolarHBondContact N-O 2.92Å; R123-I189 PolarHBondContact O-N 3.34Å; V125-I189 HydrophobicContact CG2-CG2 3.64Å; I178-I189 HydrophobicContact CG2-CD1 3.81Å; E179-I189 HydrophobicContact CG-CD1 4.44Å; I189-I218 WeakPolarHBondContact CA-O 3.37Å; I189-I218 HydrophobicContact CG1-CG2 4.4Å; I189-H220 HydrophobicContact CD1-CB 4.06Å; I189-H220 HydrophobicContact CG1-CB 4.17Å
190	I	91.7	Very high	85.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	109.6	169.6	-68.3	169.4	0	0	0	107.2	I120 A122 V192 Q210 A211 I218 L219 H220	I120-I190 HydrophobicContact CG2-CG2 3.35Å; A122-I190 HydrophobicContact CB-CD1 4.3Å; A122-I190 HydrophobicContact CB-CG1 3.91Å; I190-V192 HydrophobicContact CG2-CG2 4.02Å; I190-Q210 HydrophobicContact CD1-CG 4.5Å; I190-A211 HydrophobicContact CD1-CB 4.01Å; I190-I218 PolarHBondContact N-O 2.97Å; I190-L219 HydrophobicContact CB-CD1 4.19Å; I190-L219 HydrophobicContact CG2-CD1 3.78Å; I190-H220 PolarHBondContact O-N 3.19Å
191	T	90.4	Very high	85.5	Confident	70 Å²	70	39.1 Å²	39.1	43%	0.429	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.5	177.7	-59.4	0	0	0	0	110.2	H220	T191-H220 CarbonylContact C-O 3.58Å; T191-H220 WeakPolarHBondContact CA-O 3.34Å; T191-H220 WeakPolarHBondContact CG2-ND1 3.43Å; T191-H220 PolarHBondContact OG1-ND1 2.96Å
192	V	89.1	Confident	85.3	Confident	6 Å²	6	48.9 Å²	48.9	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.6	179.1	177.8	0	0	0	0	108.3	I120 I190 V194 V197 I207 L219 H220 L221 D222	I120-V192 HydrophobicContact CD1-CG2 4.43Å; I120-V192 HydrophobicContact CG2-CG2 4.34Å; I190-V192 HydrophobicContact CG2-CG2 4.02Å; V192-V194 PolarHBondContact O-N 3.22Å; V192-V197 HydrophobicContact CG1-CG2 3.48Å; V192-V197 VanDerWaalsContact CG1-CG2 3.48Å; V192-I207 HydrophobicContact CG1-CD1 4.09Å; V192-I207 HydrophobicContact CG2-CD1 4.44Å; V192-I207 HydrophobicContact CG2-CG2 3.89Å; V192-L219 HydrophobicContact CG2-CD1 4.03Å; V192-H220 PolarHBondContact N-O 3.24Å; V192-L221 HydrophobicContact CB-CD2 4.06Å; V192-L221 HydrophobicContact CG1-CD2 4.44Å; V192-L221 CarbonylContact O-C 3.5Å; V192-L221 WeakPolarHBondContact O-CA 3.29Å; V192-D222 PolarHBondContact O-N 3.22Å
193	S	87.5	Confident	85.1	Confident	36 Å²	36	49.8 Å²	49.8	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	117	170.4	177.7	0	0	0	0	109.5	G195 T196	S193-G195 PolarHBondContact O-N 2.93Å; S193-T196 PolarHBondContact O-N 3.29Å; S193-T196 PolarHBondContact O-OG1 3.35Å
194	V	83.7	Confident	85	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-59.3	-36.3	-172.8	-179	0	0	0	0	111.9	V192 T196 V197 W204 L221 D222 I224 M227 L239	V192-V194 PolarHBondContact O-N 3.22Å; V194-T196 PolarHBondContact O-N 3.45Å; V194-V197 PolarHBondContact O-N 3.04Å; V194-W204 HydrophobicContact CG1-CH2 4.27Å; V194-W204 HydrophobicContact CG1-CZ2 4.09Å; V194-W204 HydrophobicContact CG2-CH2 4.23Å; V194-L221 HydrophobicContact CG2-CB 3.95Å; V194-L221 HydrophobicContact CG2-CD1 4.46Å; V194-D222 WeakPolarHBondContact CG2-O 3.34Å; V194-D222 PolarHBondContact N-O 3.35Å; V194-I224 HydrophobicContact CG2-CG1 4.45Å; V194-M227 HydrophobicContact CB-CG 4.47Å; V194-M227 HydrophobicContact CG1-CG 3.4Å; V194-M227 VanDerWaalsContact CG1-CG 3.4Å; V194-M227 HydrophobicContact CG1-SD 4.24Å; V194-L239 HydrophobicContact CG1-CD2 4.24Å
195	G	79.3	Confident	84.8	Confident	38 Å²	38	48.8 Å²	48.8	39%	0.392	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-64.8	-21.6	178.6	0	0	0	0	0	114.8	S193	S193-G195 PolarHBondContact O-N 2.93Å
196	T	82.3	Confident	84.9	Confident	106 Å²	106	50.8 Å²	50.8	65%	0.65	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-86.4	-21.4	-179.9	65.7	0	0	0	0	113.2	S193 V194	S193-T196 PolarHBondContact O-N 3.29Å; S193-T196 PolarHBondContact O-OG1 3.35Å; V194-T196 PolarHBondContact O-N 3.45Å
197	V	82.7	Confident	85.1	Confident	14 Å²	14	47.6 Å²	47.6	9%	0.085	26%	0.264	C	S	.	.	S	Bend	trans	-92.7	129.6	-174.9	-175.2	0	0	0	0	110.2	V192 V194 S199 P203 W204 I207	V192-V197 HydrophobicContact CG1-CG2 3.48Å; V192-V197 VanDerWaalsContact CG1-CG2 3.48Å; V194-V197 PolarHBondContact O-N 3.04Å; V197-S199 PolarHBondContact O-N 3.28Å; V197-P203 HydrophobicContact CG1-CB 3.87Å; V197-W204 HydrophobicContact CB-CZ2 4.13Å; V197-W204 HydrophobicContact CG1-CD2 4.26Å; V197-W204 HydrophobicContact CG1-CG 4.43Å; V197-W204 HydrophobicContact CG1-CZ2 4.19Å; V197-I207 HydrophobicContact CG1-CD1 3.97Å; V197-I207 HydrophobicContact CG2-CD1 3.96Å
198	P	80.1	Confident	85	Confident	62 Å²	62	47.1 Å²	47.1	40%	0.403	26%	0.261	S	S	.	.			trans	-57.9	141	173.8	-23.3	32.8	0	0	0	111.9	S200 P203 W204	P198-S200 PolarHBondContact O-N 3.08Å; P198-P203 HydrophobicContact CG-CG 4.45Å; P198-W204 PolarHBondContact O-NE1 3.31Å
199	S	74.6	Confident	84.9	Confident	47 Å²	47	46 Å²	46	33%	0.329	26%	0.26	S	S	.	.	S	Bend	trans	-67.2	7.7	177.6	58.8	0	0	0	0	115.1	V197	V197-S199 PolarHBondContact O-N 3.28Å
200	S	79	Confident	84.7	Confident	60 Å²	60	49 Å²	49	42%	0.42	27%	0.274	S	S	.	.	S	Bend	trans	-79.8	153.9	177.1	69.1	0	0	0	0	112.1	P198 R202 P203	P198-S200 PolarHBondContact O-N 3.08Å; S200-R202 PolarHBondContact O-N 3.3Å; S200-P203 WeakPolarHBondContact O-CD 3.47Å; S200-P203 WeakPolarHBondContact OG-CD 3.46Å
201	M	80.3	Confident	84.5	Confident	80 Å²	80	49 Å²	49	39%	0.394	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-38.2	-175.3	178	171.1	-179.2	0	0	115.4	W204 M205 L242	M201-W204 PolarHBondContact O-N 3.2Å; M201-M205 HydrophobicContact CE-CE 4.13Å; M201-M205 HydrophobicContact CE-CG 3.78Å; M201-M205 HydrophobicContact CE-SD 3.74Å; M201-M205 HydrophobicContact CG-CG 3.74Å; M201-M205 WeakPolarHBondContact O-CG 3.39Å; M201-M205 PolarHBondContact O-N 3.28Å; M201-L242 HydrophobicContact CB-CD1 3.43Å; M201-L242 VanDerWaalsContact CB-CD1 3.43Å; M201-L242 HydrophobicContact CG-CD1 3.67Å; M201-L242 HydrophobicContact SD-CD1 4.39Å
202	R	85.4	Confident	84.3	Confident	207 Å²	207	48.8 Å²	48.8	78%	0.781	27%	0.267	S	S	*	.	H	α-helix	trans	-61.9	-52.3	-169	-64.4	178.4	-177.6	154.1	-2.3	113.4	S200 W204 M205 D206	S200-R202 PolarHBondContact O-N 3.3Å; R202-W204 VanDerWaalsContact C-N 3.26Å; R202-W204 PolarHBondContact O-N 3.06Å; R202-M205 PolarHBondContact O-N 2.93Å; R202-M205 VanDerWaalsContact O-N 3.1Å; R202-D206 PolarHBondContact O-N 3.28Å
203	P	85.7	Confident	84.3	Confident	20 Å²	20	55.3 Å²	55.3	13%	0.13	30%	0.301	C	S	.	.	H	α-helix	trans	-57.3	-40	178.6	-24	34.5	0	0	0	112.8	V197 P198 S200 D206 I207	V197-P203 HydrophobicContact CG1-CB 3.87Å; P198-P203 HydrophobicContact CG-CG 4.45Å; S200-P203 WeakPolarHBondContact O-CD 3.47Å; S200-P203 WeakPolarHBondContact OG-CD 3.46Å; P203-D206 PolarHBondContact O-N 2.9Å; P203-I207 WeakPolarHBondContact O-CD1 3.17Å; P203-I207 VanDerWaalsContact O-CG1 3.22Å; P203-I207 WeakPolarHBondContact O-CG1 3.47Å; P203-I207 PolarHBondContact O-N 2.88Å
204	W	85.7	Confident	84.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-42.2	177.2	-74.2	100	0	0	0	112.1	V194 V197 P198 M201 R202 D206 I207 F208 L221 L239 L242 L243 L247	V194-W204 HydrophobicContact CG1-CH2 4.27Å; V194-W204 HydrophobicContact CG1-CZ2 4.09Å; V194-W204 HydrophobicContact CG2-CH2 4.23Å; V197-W204 HydrophobicContact CB-CZ2 4.13Å; V197-W204 HydrophobicContact CG1-CD2 4.26Å; V197-W204 HydrophobicContact CG1-CG 4.43Å; V197-W204 HydrophobicContact CG1-CZ2 4.19Å; P198-W204 PolarHBondContact O-NE1 3.31Å; M201-W204 PolarHBondContact O-N 3.2Å; R202-W204 VanDerWaalsContact C-N 3.26Å; R202-W204 PolarHBondContact O-N 3.06Å; W204-D206 VanDerWaalsContact C-N 3.29Å; W204-D206 PolarHBondContact O-N 2.77Å; W204-I207 HydrophobicContact CE3-CD1 4.5Å; W204-I207 PolarHBondContact O-N 2.9Å; W204-F208 HydrophobicContact CE3-CD2 4.28Å; W204-F208 AromaticContact CE3-CE2 3.73Å; W204-F208 HydrophobicContact CE3-CE2 3.73Å; W204-F208 HydrophobicContact CZ3-CE2 4.19Å; W204-F208 WeakPolarHBondContact O-CB 3.29Å; W204-F208 WeakPolarHBondContact O-CD2 3.45Å; W204-F208 PolarHBondContact O-N 3.01Å; W204-L221 HydrophobicContact CH2-CD2 4.13Å; W204-L221 HydrophobicContact CZ3-CD1 4.42Å; W204-L221 HydrophobicContact CZ3-CD2 3.85Å; W204-L239 HydrophobicContact CD2-CD1 4Å; W204-L239 HydrophobicContact CG-CD1 4.1Å; W204-L239 HydrophobicContact CZ2-CD1 4Å; W204-L239 HydrophobicContact CZ2-CD2 3.93Å; W204-L242 HydrophobicContact CB-CD2 4.22Å; W204-L243 HydrophobicContact CE3-CD2 4.38Å; W204-L243 HydrophobicContact CZ3-CD2 4.49Å; W204-L247 HydrophobicContact CB-CD1 4.13Å
205	M	85.6	Confident	84.3	Confident	52 Å²	52	56.9 Å²	56.9	26%	0.256	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-39.6	174.1	-69	-66.8	-73.3	0	0	111.9	M201 R202 F208 N209 L247	M201-M205 HydrophobicContact CE-CE 4.13Å; M201-M205 HydrophobicContact CE-CG 3.78Å; M201-M205 HydrophobicContact CE-SD 3.74Å; M201-M205 HydrophobicContact CG-CG 3.74Å; M201-M205 WeakPolarHBondContact O-CG 3.39Å; M201-M205 PolarHBondContact O-N 3.28Å; R202-M205 PolarHBondContact O-N 2.93Å; R202-M205 VanDerWaalsContact O-N 3.1Å; M205-F208 PolarHBondContact O-N 3.46Å; M205-N209 WeakPolarHBondContact O-CB 3.32Å; M205-N209 PolarHBondContact O-N 3.32Å; M205-N209 PolarHBondContact O-ND2 2.81Å; M205-L247 HydrophobicContact SD-CD2 3.5Å; M205-L247 VanDerWaalsContact SD-CD2 3.5Å; M205-L247 HydrophobicContact SD-CG 4.42Å
206	D	88.2	Confident	84.7	Confident	90 Å²	90	58.4 Å²	58.4	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-66.4	-46	179.4	-62.5	-28.1	0	0	0	111.6	R202 P203 W204 F208 N209 Q210	R202-D206 PolarHBondContact O-N 3.28Å; P203-D206 PolarHBondContact O-N 2.9Å; W204-D206 VanDerWaalsContact C-N 3.29Å; W204-D206 PolarHBondContact O-N 2.77Å; D206-F208 VanDerWaalsContact C-N 3.31Å; D206-F208 PolarHBondContact O-N 2.77Å; D206-N209 PolarHBondContact O-N 2.85Å; D206-Q210 WeakPolarHBondContact O-CB 3.41Å; D206-Q210 PolarHBondContact O-N 2.88Å
207	I	87.8	Confident	85	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-46.4	174.3	-70.6	164.1	0	0	0	110.9	I120 V192 V197 P203 W204 Q210 A211 L219	I120-I207 HydrophobicContact CD1-CD1 4.03Å; I120-I207 HydrophobicContact CD1-CG1 3.59Å; V192-I207 HydrophobicContact CG1-CD1 4.09Å; V192-I207 HydrophobicContact CG2-CD1 4.44Å; V192-I207 HydrophobicContact CG2-CG2 3.89Å; V197-I207 HydrophobicContact CG1-CD1 3.97Å; V197-I207 HydrophobicContact CG2-CD1 3.96Å; P203-I207 WeakPolarHBondContact O-CD1 3.17Å; P203-I207 VanDerWaalsContact O-CG1 3.22Å; P203-I207 WeakPolarHBondContact O-CG1 3.47Å; P203-I207 PolarHBondContact O-N 2.88Å; W204-I207 HydrophobicContact CE3-CD1 4.5Å; W204-I207 PolarHBondContact O-N 2.9Å; I207-Q210 PolarHBondContact O-N 3.49Å; I207-A211 PolarHBondContact O-N 3Å; I207-L219 HydrophobicContact CG2-CD1 3.91Å; I207-L219 HydrophobicContact CG2-CD2 4.43Å
208	F	85.8	Confident	85.4	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-39.3	-178.3	-87.2	-104.1	0	0	0	112.4	W204 M205 D206 Q210 A211 K212 L219 L243 L247 M251	W204-F208 HydrophobicContact CE3-CD2 4.28Å; W204-F208 AromaticContact CE3-CE2 3.73Å; W204-F208 HydrophobicContact CE3-CE2 3.73Å; W204-F208 HydrophobicContact CZ3-CE2 4.19Å; W204-F208 WeakPolarHBondContact O-CB 3.29Å; W204-F208 WeakPolarHBondContact O-CD2 3.45Å; W204-F208 PolarHBondContact O-N 3.01Å; M205-F208 PolarHBondContact O-N 3.46Å; D206-F208 VanDerWaalsContact C-N 3.31Å; D206-F208 PolarHBondContact O-N 2.77Å; F208-Q210 VanDerWaalsContact C-N 3.28Å; F208-Q210 PolarHBondContact O-N 3.2Å; F208-A211 PolarHBondContact O-N 3.27Å; F208-K212 WeakPolarHBondContact O-CG 3.49Å; F208-K212 PolarHBondContact O-N 3.2Å; F208-L219 HydrophobicContact CD1-CD2 4.32Å; F208-L219 HydrophobicContact CD2-CD2 4.17Å; F208-L219 HydrophobicContact CE1-CD2 4.05Å; F208-L219 HydrophobicContact CE2-CD2 3.89Å; F208-L219 HydrophobicContact CG-CD2 4.42Å; F208-L219 HydrophobicContact CZ-CD2 3.86Å; F208-L243 HydrophobicContact CE2-CD2 3.84Å; F208-L243 HydrophobicContact CZ-CD2 3.63Å; F208-L247 HydrophobicContact CB-CD2 3.83Å; F208-L247 HydrophobicContact CD1-CB 3.88Å; F208-L247 HydrophobicContact CD1-CD1 4.35Å; F208-L247 HydrophobicContact CD1-CD2 3.86Å; F208-L247 HydrophobicContact CD1-CG 4.25Å; F208-L247 HydrophobicContact CD2-CD1 3.65Å; F208-L247 HydrophobicContact CD2-CD2 4.1Å; F208-L247 HydrophobicContact CD2-CG 4.34Å; F208-L247 HydrophobicContact CE1-CB 3.59Å; F208-L247 HydrophobicContact CE1-CD1 4.24Å; F208-L247 HydrophobicContact CE1-CD2 4.39Å; F208-L247 HydrophobicContact CE1-CG 4.29Å; F208-L247 HydrophobicContact CE2-CB 4.38Å; F208-L247 HydrophobicContact CE2-CD1 3.52Å; F208-L247 HydrophobicContact CE2-CG 4.38Å; F208-L247 HydrophobicContact CG-CB 4.37Å; F208-L247 HydrophobicContact CG-CD1 4.05Å; F208-L247 HydrophobicContact CG-CD2 3.66Å; F208-L247 HydrophobicContact CG-CG 4.25Å; F208-L247 HydrophobicContact CZ-CB 3.84Å; F208-L247 HydrophobicContact CZ-CD1 3.82Å; F208-L247 HydrophobicContact CZ-CG 4.34Å; F208-M251 HydrophobicContact CD1-CE 3.8Å; F208-M251 HydrophobicContact CD1-CG 4.47Å; F208-M251 HydrophobicContact CD1-SD 4.42Å; F208-M251 HydrophobicContact CE1-CE 3.3Å; F208-M251 HydrophobicContact CE1-CG 4.24Å; F208-M251 HydrophobicContact CE1-SD 3.69Å; F208-M251 HydrophobicContact CZ-CE 4.2Å
209	N	87.3	Confident	85.9	Confident	70 Å²	70	49.8 Å²	49.8	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-38.8	173.6	-74.4	-25.5	0	0	0	111.1	M205 D206 K212 N213	M205-N209 WeakPolarHBondContact O-CB 3.32Å; M205-N209 PolarHBondContact O-N 3.32Å; M205-N209 PolarHBondContact O-ND2 2.81Å; D206-N209 PolarHBondContact O-N 2.85Å; N209-K212 PolarHBondContact O-N 3.08Å; N209-N213 PolarHBondContact O-N 3.25Å; N209-N213 PolarHBondContact O-ND2 3.25Å; N209-N213 PolarHBondContact O-OD1 2.97Å
210	Q	87.1	Confident	86.8	Confident	65 Å²	65	47.6 Å²	47.6	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-38.6	175.4	-171	174	18.2	0	0	112.8	I120 I190 D206 I207 F208 N213 S214	I120-Q210 PolarHBondContact O-NE2 2.9Å; I120-Q210 PolarHBondContact O-OE1 2.88Å; I190-Q210 HydrophobicContact CD1-CG 4.5Å; D206-Q210 WeakPolarHBondContact O-CB 3.41Å; D206-Q210 PolarHBondContact O-N 2.88Å; I207-Q210 PolarHBondContact O-N 3.49Å; F208-Q210 VanDerWaalsContact C-N 3.28Å; F208-Q210 PolarHBondContact O-N 3.2Å; Q210-N213 PolarHBondContact O-N 2.79Å; Q210-S214 WeakPolarHBondContact O-CB 3.34Å; Q210-S214 PolarHBondContact O-N 3.05Å; Q210-S214 VanDerWaalsContact O-N 3.1Å; Q210-S214 PolarHBondContact O-OG 2.83Å
211	A	87.5	Confident	87.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-45.9	173	0	0	0	0	0	111.5	I190 I207 F208 N213 S214 S215 C217 V256	I190-A211 HydrophobicContact CD1-CB 4.01Å; I207-A211 PolarHBondContact O-N 3Å; F208-A211 PolarHBondContact O-N 3.27Å; A211-N213 VanDerWaalsContact C-N 3.32Å; A211-N213 PolarHBondContact O-N 3.35Å; A211-S214 CarbonylContact O-C 3.53Å; A211-S214 WeakPolarHBondContact O-CA 3.49Å; A211-S214 PolarHBondContact O-N 2.88Å; A211-S215 PolarHBondContact O-N 3Å; A211-C217 PolarHBondContact O-SG 3.3Å; A211-V256 HydrophobicContact CB-CG1 3.87Å; A211-V256 HydrophobicContact CB-CG2 4.27Å
212	K	86.8	Confident	87.8	Confident	66 Å²	66	42.7 Å²	42.7	29%	0.287	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-42.8	174.9	-71.7	179.5	-178.1	175.7	0	112.2	F208 N209 S214 S215 D250 V256	F208-K212 WeakPolarHBondContact O-CG 3.49Å; F208-K212 PolarHBondContact O-N 3.2Å; N209-K212 PolarHBondContact O-N 3.08Å; K212-S214 PolarHBondContact O-N 3.11Å; K212-S215 VanDerWaalsContact O-CB 3.23Å; K212-S215 WeakPolarHBondContact O-CB 3.32Å; K212-S215 PolarHBondContact O-N 3.18Å; K212-D250 IonicContact NZ-OD2 2.9Å; K212-V256 HydrophobicContact CG-CG2 4.23Å
213	N	88.2	Confident	87.6	Confident	143 Å²	143	34.3 Å²	34.3	77%	0.765	19%	0.187	S	C	*	.	H	α-helix	trans	-64.9	-23.9	176.3	-68.1	-14.5	0	0	0	113.1	N209 Q210 A211	N209-N213 PolarHBondContact O-N 3.25Å; N209-N213 PolarHBondContact O-ND2 3.25Å; N209-N213 PolarHBondContact O-OD1 2.97Å; Q210-N213 PolarHBondContact O-N 2.79Å; A211-N213 VanDerWaalsContact C-N 3.32Å; A211-N213 PolarHBondContact O-N 3.35Å
214	S	86.7	Confident	87.6	Confident	17 Å²	17	33.3 Å²	33.3	12%	0.119	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	7.9	179.9	-55.4	0	0	0	0	113.3	Q210 A211 K212 P216 C217	Q210-S214 WeakPolarHBondContact O-CB 3.34Å; Q210-S214 PolarHBondContact O-N 3.05Å; Q210-S214 VanDerWaalsContact O-N 3.1Å; Q210-S214 PolarHBondContact O-OG 2.83Å; A211-S214 CarbonylContact O-C 3.53Å; A211-S214 WeakPolarHBondContact O-CA 3.49Å; A211-S214 PolarHBondContact O-N 2.88Å; K212-S214 PolarHBondContact O-N 3.11Å; S214-P216 CarbonylContact O-C 3.54Å; S214-C217 WeakPolarHBondContact O-CB 3.48Å
215	S	84.6	Confident	87.3	Confident	52 Å²	52	34 Å²	34	36%	0.364	18%	0.184	S	C	.	.			trans	-56.9	137.8	-177.5	-172.5	0	0	0	0	112.4	A211 K212 S254 G255	A211-S215 PolarHBondContact O-N 3Å; K212-S215 VanDerWaalsContact O-CB 3.23Å; K212-S215 WeakPolarHBondContact O-CB 3.32Å; K212-S215 PolarHBondContact O-N 3.18Å; S215-S254 WeakPolarHBondContact CB-O 3.41Å; S215-S254 PolarHBondContact OG-O 2.9Å; S215-G255 WeakPolarHBondContact OG-CA 3.46Å; S215-G255 PolarHBondContact OG-O 3.15Å
216	P	87.2	Confident	86.9	Confident	70 Å²	70	32.4 Å²	32.4	46%	0.455	18%	0.178	S	C	.	.	S	Bend	cis	-76.8	128.5	-2.1	31.8	-34.5	0	0	0	112	L152 L187 S214 G255	L152-P216 HydrophobicContact CD2-CB 4.21Å; L187-P216 HydrophobicContact CD2-CB 3.84Å; L187-P216 HydrophobicContact CD2-CG 3.9Å; S214-P216 CarbonylContact O-C 3.54Å; P216-G255 WeakPolarHBondContact CA-O 3.32Å
217	C	88.5	Confident	86.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159.2	-179.2	77.3	0	0	0	0	114	K188 A211 S214 G255 V256 V257	K188-C217 HydrophobicContact CB-CB 4.15Å; K188-C217 CarbonylContact O-C 3.56Å; K188-C217 VanDerWaalsContact O-CA 3.29Å; K188-C217 WeakPolarHBondContact O-CA 3.09Å; K188-C217 WeakPolarHBondContact O-CB 3.45Å; A211-C217 PolarHBondContact O-SG 3.3Å; S214-C217 WeakPolarHBondContact O-CB 3.48Å; C217-G255 PolarHBondContact N-O 3.47Å; C217-V256 WeakPolarHBondContact O-CA 3.46Å; C217-V257 PolarHBondContact O-N 3.5Å
218	I	90.7	Very high	85.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.3	172.8	-71.6	164.2	0	0	0	108.4	L148 I178 C182 L187 K188 I189 I190 V257 I259	L148-I218 HydrophobicContact CD1-CD1 3.93Å; L148-I218 HydrophobicContact CD2-CD1 3.81Å; L148-I218 HydrophobicContact CD2-CG1 4.21Å; I178-I218 HydrophobicContact CG2-CG2 4.36Å; C182-I218 HydrophobicContact CB-CD1 4.42Å; C182-I218 WeakPolarHBondContact SG-CD1 3.25Å; L187-I218 HydrophobicContact CB-CD1 4.47Å; L187-I218 HydrophobicContact CD1-CD1 3.67Å; L187-I218 HydrophobicContact CD1-CG1 4.24Å; K188-I218 PolarHBondContact O-N 3.34Å; I189-I218 WeakPolarHBondContact CA-O 3.37Å; I189-I218 HydrophobicContact CG1-CG2 4.4Å; I190-I218 PolarHBondContact N-O 2.97Å; I218-V257 WeakPolarHBondContact CA-O 3.22Å; I218-V257 HydrophobicContact CG1-CB 4.32Å; I218-I259 HydrophobicContact CD1-CD1 4.42Å; I218-I259 HydrophobicContact CG2-CB 4.35Å; I218-I259 HydrophobicContact CG2-CD1 3.64Å; I218-I259 HydrophobicContact CG2-CG1 3.9Å
219	L	91.6	Very high	84	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	103.7	169.2	179.4	58.5	0	0	0	108.2	I190 V192 I207 F208 L221 M251 V256 V257 L258 I259	I190-L219 HydrophobicContact CB-CD1 4.19Å; I190-L219 HydrophobicContact CG2-CD1 3.78Å; V192-L219 HydrophobicContact CG2-CD1 4.03Å; I207-L219 HydrophobicContact CG2-CD1 3.91Å; I207-L219 HydrophobicContact CG2-CD2 4.43Å; F208-L219 HydrophobicContact CD1-CD2 4.32Å; F208-L219 HydrophobicContact CD2-CD2 4.17Å; F208-L219 HydrophobicContact CE1-CD2 4.05Å; F208-L219 HydrophobicContact CE2-CD2 3.89Å; F208-L219 HydrophobicContact CG-CD2 4.42Å; F208-L219 HydrophobicContact CZ-CD2 3.86Å; L219-L221 HydrophobicContact CD1-CD2 4.43Å; L219-L221 HydrophobicContact CG-CD2 4.24Å; L219-M251 HydrophobicContact CD2-CE 4.06Å; L219-V256 HydrophobicContact CB-CG1 4.18Å; L219-V257 PolarHBondContact N-O 3.37Å; L219-L258 HydrophobicContact CB-CD1 4.14Å; L219-L258 HydrophobicContact CD2-CD1 3.77Å; L219-L258 HydrophobicContact CG-CD1 3.83Å; L219-I259 PolarHBondContact O-N 3.24Å
220	H	92.8	Very high	82.3	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.4	178.8	173.1	-139.6	0	0	0	110	I178 I189 I190 T191 V192 I259 E261	I178-H220 VanDerWaalsContact CD1-CD2 3.47Å; I178-H220 WeakPolarHBondContact CD1-CD2 3.45Å; I178-H220 WeakPolarHBondContact CD1-NE2 3.3Å; I189-H220 HydrophobicContact CD1-CB 4.06Å; I189-H220 HydrophobicContact CG1-CB 4.17Å; I190-H220 PolarHBondContact O-N 3.19Å; T191-H220 CarbonylContact C-O 3.58Å; T191-H220 WeakPolarHBondContact CA-O 3.34Å; T191-H220 WeakPolarHBondContact CG2-ND1 3.43Å; T191-H220 PolarHBondContact OG1-ND1 2.96Å; V192-H220 PolarHBondContact N-O 3.24Å; H220-I259 CarbonylContact C-O 3.46Å; H220-I259 VanDerWaalsContact CA-O 3.29Å; H220-I259 WeakPolarHBondContact CA-O 3.33Å; H220-E261 IonicContact CE1-OE2 3.67Å; H220-E261 IonicContact NE2-OE2 3.45Å; H220-E261 PolarHBondContact NE2-OE2 3.47Å
221	L	90.9	Very high	80.4	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.9	172.8	-59.4	-172.5	0	0	0	109.6	V192 V194 W204 L219 I224 L258 I259 G260 E261	V192-L221 HydrophobicContact CB-CD2 4.06Å; V192-L221 HydrophobicContact CG1-CD2 4.44Å; V192-L221 CarbonylContact O-C 3.5Å; V192-L221 WeakPolarHBondContact O-CA 3.29Å; V194-L221 HydrophobicContact CG2-CB 3.95Å; V194-L221 HydrophobicContact CG2-CD1 4.46Å; W204-L221 HydrophobicContact CH2-CD2 4.13Å; W204-L221 HydrophobicContact CZ3-CD1 4.42Å; W204-L221 HydrophobicContact CZ3-CD2 3.85Å; L219-L221 HydrophobicContact CD1-CD2 4.43Å; L219-L221 HydrophobicContact CG-CD2 4.24Å; L221-I224 HydrophobicContact CB-CG1 4.37Å; L221-L258 HydrophobicContact CD1-CD1 3.7Å; L221-L258 HydrophobicContact CD1-CD2 4.43Å; L221-L258 HydrophobicContact CD1-CG 4.41Å; L221-L258 HydrophobicContact CD2-CD1 4.38Å; L221-L258 HydrophobicContact CG-CD1 3.7Å; L221-I259 PolarHBondContact N-O 3.3Å; L221-G260 CarbonylContact O-C 3.49Å; L221-E261 PolarHBondContact O-N 3.16Å
222	D	88.9	Confident	78.9	Confident	33 Å²	33	44 Å²	44	18%	0.176	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	151.1	172.8	-172.2	26.7	0	0	0	111	V192 V194	V192-D222 PolarHBondContact O-N 3.22Å; V194-D222 WeakPolarHBondContact CG2-O 3.34Å; V194-D222 PolarHBondContact N-O 3.35Å
223	D	82.8	Confident	77.3	Confident	31 Å²	31	46 Å²	46	17%	0.166	27%	0.265	C	S	.	.			trans	59.5	52.5	175.7	-167.9	29.9	0	0	0	114.1	E225 S226	D223-E225 PolarHBondContact O-N 3.38Å; D223-E225 WeakPolarHBondContact OD1-CG 3.47Å; D223-S226 WeakPolarHBondContact O-CB 3.1Å; D223-S226 PolarHBondContact O-N 3.18Å; D223-S226 PolarHBondContact OD1-OG 3.16Å; D223-S226 VanDerWaalsContact OD2-CB 3.28Å; D223-S226 WeakPolarHBondContact OD2-CB 3.42Å; D223-S226 PolarHBondContact OD2-OG 2.97Å
224	I	83.9	Confident	75.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30	178.4	-71.5	171	0	0	0	112.2	L165 V194 L221 S226 M227 E261 I273 F277	L165-I224 HydrophobicContact CD1-CD1 3.59Å; V194-I224 HydrophobicContact CG2-CG1 4.45Å; L221-I224 HydrophobicContact CB-CG1 4.37Å; I224-S226 PolarHBondContact O-N 3.13Å; I224-M227 HydrophobicContact CG2-SD 4.13Å; I224-M227 WeakPolarHBondContact O-CB 3.41Å; I224-M227 VanDerWaalsContact O-CG 3.27Å; I224-M227 WeakPolarHBondContact O-CG 3.49Å; I224-M227 PolarHBondContact O-N 3.39Å; I224-E261 PolarHBondContact N-O 3.45Å; I224-I273 HydrophobicContact CG2-CG2 3.54Å; I224-F277 HydrophobicContact CD1-CE1 4.25Å; I224-F277 HydrophobicContact CD1-CE2 3.85Å; I224-F277 HydrophobicContact CD1-CZ 3.37Å
225	E	79.3	Confident	74.6	Confident	14 Å²	14	42.1 Å²	42.1	7%	0.065	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.3	175.1	60.3	-91.6	-138.7	0	0	113	D223 M227 E228 R263 L269	D223-E225 PolarHBondContact O-N 3.38Å; D223-E225 WeakPolarHBondContact OD1-CG 3.47Å; E225-M227 PolarHBondContact O-N 2.95Å; E225-E228 WeakPolarHBondContact O-CB 3.47Å; E225-E228 PolarHBondContact O-N 3.2Å; E225-R263 WeakPolarHBondContact OE1-CB 3.4Å; E225-R263 PolarHBondContact OE1-N 2.91Å; E225-L269 HydrophobicContact CB-CD2 4.48Å
226	S	77.4	Confident	73.7	Confident	18 Å²	18	40.3 Å²	40.3	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-16.6	173.4	-82.5	0	0	0	0	113.6	D223 I224 E228 K229	D223-S226 WeakPolarHBondContact O-CB 3.1Å; D223-S226 PolarHBondContact O-N 3.18Å; D223-S226 PolarHBondContact OD1-OG 3.16Å; D223-S226 VanDerWaalsContact OD2-CB 3.28Å; D223-S226 WeakPolarHBondContact OD2-CB 3.42Å; D223-S226 PolarHBondContact OD2-OG 2.97Å; I224-S226 PolarHBondContact O-N 3.13Å; S226-E228 PolarHBondContact O-N 3.47Å; S226-K229 PolarHBondContact O-N 3.44Å
227	M	74.1	Confident	72.8	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-34.9	168.3	-64.6	-177.9	62	0	0	111.4	V194 I224 E225 T236 L239 L243 I273 L276	V194-M227 HydrophobicContact CB-CG 4.47Å; V194-M227 HydrophobicContact CG1-CG 3.4Å; V194-M227 VanDerWaalsContact CG1-CG 3.4Å; V194-M227 HydrophobicContact CG1-SD 4.24Å; I224-M227 HydrophobicContact CG2-SD 4.13Å; I224-M227 WeakPolarHBondContact O-CB 3.41Å; I224-M227 VanDerWaalsContact O-CG 3.27Å; I224-M227 WeakPolarHBondContact O-CG 3.49Å; I224-M227 PolarHBondContact O-N 3.39Å; E225-M227 PolarHBondContact O-N 2.95Å; M227-T236 HydrophobicContact CB-CG2 4.22Å; M227-T236 WeakPolarHBondContact O-CB 3.34Å; M227-T236 WeakPolarHBondContact O-CG2 3.35Å; M227-T236 PolarHBondContact O-OG1 3.42Å; M227-L239 HydrophobicContact CE-CB 4.4Å; M227-L239 HydrophobicContact CE-CD2 3.82Å; M227-L239 HydrophobicContact CE-CG 3.93Å; M227-L239 HydrophobicContact CG-CD2 4.14Å; M227-L239 HydrophobicContact SD-CD2 4.39Å; M227-L243 HydrophobicContact CE-CD1 4.11Å; M227-I273 HydrophobicContact CB-CD1 3.87Å; M227-I273 HydrophobicContact CE-CG1 4.5Å; M227-L276 HydrophobicContact CE-CD1 4.22Å
228	E	68.3	Low	72	Confident	79 Å²	79	51.2 Å²	51.2	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-73.3	-38.9	178.1	-170.9	-179.3	-175.6	0	0	112.1	E225 S226 H230 R521	E225-E228 WeakPolarHBondContact O-CB 3.47Å; E225-E228 PolarHBondContact O-N 3.2Å; S226-E228 PolarHBondContact O-N 3.47Å; E228-H230 PolarHBondContact O-N 3.21Å; E228-R521 IonicContact OE1-NH1 3.65Å; E228-R521 PolarHBondContact OE1-NH1 2.92Å
229	K	58.5	Low	71.4	Confident	154 Å²	154	51.3 Å²	51.3	67%	0.67	27%	0.269	S	S	*	.	H	α-helix	trans	-72.1	-6.9	-173	-68.5	179	-175.7	163.4	0	115.1	S226 S231	S226-K229 PolarHBondContact O-N 3.44Å; K229-S231 PolarHBondContact O-N 3.36Å; K229-S231 VanDerWaalsContact O-N 3.07Å
230	H	51.9	Low	70.7	Confident	51 Å²	51	51.6 Å²	51.6	24%	0.236	27%	0.271	C	S	.	.	S	Bend	trans	-57	122.2	173.6	-76.1	-58.1	0	0	0	109.2	E228 S232	E228-H230 PolarHBondContact O-N 3.21Å; H230-S232 CarbonylContact O-C 3.38Å; H230-S232 PolarHBondContact O-N 3.43Å
231	S	47.5	Very low	70	Confident	133 Å²	133	53.9 Å²	53.9	93%	0.93	29%	0.287	S	S	*	.	S	Bend	trans	-53.7	-10.6	-173	59.3	0	0	0	0	115.4	K229	K229-S231 PolarHBondContact O-N 3.36Å; K229-S231 VanDerWaalsContact O-N 3.07Å
232	S	55.1	Low	69.4	Low	54 Å²	54	54.7 Å²	54.7	38%	0.378	29%	0.291	S	S	.	.	S	Bend	trans	-120.6	126.3	169.1	71.6	0	0	0	0	110.4	H230 V234 G235	H230-S232 CarbonylContact O-C 3.38Å; H230-S232 PolarHBondContact O-N 3.43Å; S232-V234 PolarHBondContact O-N 3.43Å; S232-G235 PolarHBondContact O-N 2.94Å; S232-G235 PolarHBondContact OG-N 2.78Å
233	P	54.6	Low	69.1	Low	110 Å²	110	53.3 Å²	53.3	71%	0.714	28%	0.284	S	S	*	.	H	α-helix	trans	-58.2	-21.9	173.3	22.4	-33	0	0	0	112.8	G235 F237	P233-G235 VanDerWaalsContact C-N 3.3Å; P233-G235 PolarHBondContact O-N 3.46Å; P233-F237 PolarHBondContact O-N 2.98Å
234	V	55.9	Low	69	Low	73 Å²	73	55.9 Å²	55.9	44%	0.442	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-31.5	175.5	-176.3	0	0	0	0	112.2	S232 R238	S232-V234 PolarHBondContact O-N 3.43Å; V234-R238 HydrophobicContact CG1-CG 4.43Å; V234-R238 VanDerWaalsContact O-CB 3.32Å; V234-R238 WeakPolarHBondContact O-CB 3.44Å; V234-R238 WeakPolarHBondContact O-CD 3.48Å; V234-R238 WeakPolarHBondContact O-CG 3.36Å; V234-R238 PolarHBondContact O-N 2.99Å; V234-R238 VanDerWaalsContact O-N 3.12Å
235	G	62.6	Low	68.7	Low	4 Å²	4	58.9 Å²	58.9	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-69.9	-49.5	-179.8	0	0	0	0	0	112.6	S232 P233 R238 L239	S232-G235 PolarHBondContact O-N 2.94Å; S232-G235 PolarHBondContact OG-N 2.78Å; P233-G235 VanDerWaalsContact C-N 3.3Å; P233-G235 PolarHBondContact O-N 3.46Å; G235-R238 PolarHBondContact O-N 2.92Å; G235-L239 PolarHBondContact O-N 3.05Å
236	T	64.5	Low	68.5	Low	14 Å²	14	62 Å²	62	9%	0.086	33%	0.329	C	S	.	.	H	α-helix	trans	-57.4	-52.1	176.3	-43	0	0	0	0	111.4	M227 R238 L239 T240 I273	M227-T236 HydrophobicContact CB-CG2 4.22Å; M227-T236 WeakPolarHBondContact O-CB 3.34Å; M227-T236 WeakPolarHBondContact O-CG2 3.35Å; M227-T236 PolarHBondContact O-OG1 3.42Å; T236-R238 VanDerWaalsContact C-N 3.31Å; T236-R238 PolarHBondContact O-N 3.43Å; T236-L239 PolarHBondContact O-N 2.99Å; T236-T240 PolarHBondContact O-N 3.32Å; T236-T240 PolarHBondContact O-OG1 3.08Å; T236-T240 VanDerWaalsContact O-OG1 3.11Å; T236-I273 HydrophobicContact CG2-CD1 4.33Å
237	F	69.1	Low	68.5	Low	132 Å²	132	61.3 Å²	61.3	58%	0.579	32%	0.324	S	S	*	.	H	α-helix	trans	-60.6	-41.9	-179.5	-177.4	-101.1	0	0	0	111.6	P233 C241	P233-F237 PolarHBondContact O-N 2.98Å; F237-C241 VanDerWaalsContact CE1-SG 3.58Å; F237-C241 VanDerWaalsContact CZ-SG 3.51Å; F237-C241 VanDerWaalsContact O-CB 3.26Å; F237-C241 WeakPolarHBondContact O-CB 3.37Å; F237-C241 PolarHBondContact O-N 3.29Å; F237-C241 PolarHBondContact O-SG 2.75Å
238	R	72	Confident	68.9	Low	168 Å²	168	61.2 Å²	61.2	63%	0.634	32%	0.324	S	S	*	.	H	α-helix	trans	-61.7	-44.9	175.7	-79.3	175.1	-177.1	174.6	5.3	112.1	V234 G235 T236 C241 L242	V234-R238 HydrophobicContact CG1-CG 4.43Å; V234-R238 VanDerWaalsContact O-CB 3.32Å; V234-R238 WeakPolarHBondContact O-CB 3.44Å; V234-R238 WeakPolarHBondContact O-CD 3.48Å; V234-R238 WeakPolarHBondContact O-CG 3.36Å; V234-R238 PolarHBondContact O-N 2.99Å; V234-R238 VanDerWaalsContact O-N 3.12Å; G235-R238 PolarHBondContact O-N 2.92Å; T236-R238 VanDerWaalsContact C-N 3.31Å; T236-R238 PolarHBondContact O-N 3.43Å; R238-C241 PolarHBondContact O-N 3.31Å; R238-L242 WeakPolarHBondContact O-CB 3.34Å; R238-L242 PolarHBondContact O-N 3.2Å
239	L	76.8	Confident	69.3	Low	1 Å²	1	64.1 Å²	64.1	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-47.1	179.5	-179.2	59.6	0	0	0	111.4	V194 W204 M227 G235 T236 C241 L242 L243	V194-L239 HydrophobicContact CG1-CD2 4.24Å; W204-L239 HydrophobicContact CD2-CD1 4Å; W204-L239 HydrophobicContact CG-CD1 4.1Å; W204-L239 HydrophobicContact CZ2-CD1 4Å; W204-L239 HydrophobicContact CZ2-CD2 3.93Å; M227-L239 HydrophobicContact CE-CB 4.4Å; M227-L239 HydrophobicContact CE-CD2 3.82Å; M227-L239 HydrophobicContact CE-CG 3.93Å; M227-L239 HydrophobicContact CG-CD2 4.14Å; M227-L239 HydrophobicContact SD-CD2 4.39Å; G235-L239 PolarHBondContact O-N 3.05Å; T236-L239 PolarHBondContact O-N 2.99Å; L239-C241 VanDerWaalsContact C-N 3.35Å; L239-C241 PolarHBondContact O-N 3.37Å; L239-L242 WeakPolarHBondContact O-CB 3.43Å; L239-L242 PolarHBondContact O-N 2.71Å; L239-L242 VanDerWaalsContact O-N 3.17Å; L239-L243 HydrophobicContact CD1-CD1 4.19Å; L239-L243 HydrophobicContact CD1-CG 4.23Å; L239-L243 HydrophobicContact CG-CD1 4.03Å; L239-L243 WeakPolarHBondContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.24Å; L239-L243 PolarHBondContact O-N 3.43Å
240	T	78.4	Confident	70.3	Confident	6 Å²	6	60.8 Å²	60.8	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-45.7	175.2	-58.5	0	0	0	0	111.5	T236 L242 L243 K244 S272 L276	T236-T240 PolarHBondContact O-N 3.32Å; T236-T240 PolarHBondContact O-OG1 3.08Å; T236-T240 VanDerWaalsContact O-OG1 3.11Å; T240-L242 VanDerWaalsContact C-N 3.33Å; T240-L242 PolarHBondContact O-N 3.1Å; T240-L243 PolarHBondContact O-N 2.81Å; T240-K244 VanDerWaalsContact O-CB 3.26Å; T240-K244 WeakPolarHBondContact O-CB 3.36Å; T240-K244 PolarHBondContact O-N 3.42Å; T240-S272 WeakPolarHBondContact CG2-O 3.35Å; T240-L276 HydrophobicContact CG2-CD1 4.12Å; T240-L276 HydrophobicContact CG2-CD2 3.94Å; T240-L276 HydrophobicContact CG2-CG 4.09Å
241	C	77.7	Confident	71.6	Confident	51 Å²	51	58.5 Å²	58.5	35%	0.345	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-41.1	175.6	-77.4	0	0	0	0	112	F237 R238 L239 S245	F237-C241 VanDerWaalsContact CE1-SG 3.58Å; F237-C241 VanDerWaalsContact CZ-SG 3.51Å; F237-C241 VanDerWaalsContact O-CB 3.26Å; F237-C241 WeakPolarHBondContact O-CB 3.37Å; F237-C241 PolarHBondContact O-N 3.29Å; F237-C241 PolarHBondContact O-SG 2.75Å; R238-C241 PolarHBondContact O-N 3.31Å; L239-C241 VanDerWaalsContact C-N 3.35Å; L239-C241 PolarHBondContact O-N 3.37Å; C241-S245 WeakPolarHBondContact O-CB 3.27Å; C241-S245 PolarHBondContact O-N 3.03Å; C241-S245 PolarHBondContact O-OG 2.85Å
242	L	78.7	Confident	73	Confident	20 Å²	20	54.4 Å²	54.4	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-48.3	178.7	-179.9	148	0	0	0	111.4	M201 W204 R238 L239 T240 Q246 L247	M201-L242 HydrophobicContact CB-CD1 3.43Å; M201-L242 VanDerWaalsContact CB-CD1 3.43Å; M201-L242 HydrophobicContact CG-CD1 3.67Å; M201-L242 HydrophobicContact SD-CD1 4.39Å; W204-L242 HydrophobicContact CB-CD2 4.22Å; R238-L242 WeakPolarHBondContact O-CB 3.34Å; R238-L242 PolarHBondContact O-N 3.2Å; L239-L242 WeakPolarHBondContact O-CB 3.43Å; L239-L242 PolarHBondContact O-N 2.71Å; L239-L242 VanDerWaalsContact O-N 3.17Å; T240-L242 VanDerWaalsContact C-N 3.33Å; T240-L242 PolarHBondContact O-N 3.1Å; L242-Q246 PolarHBondContact O-N 2.77Å; L242-Q246 VanDerWaalsContact O-N 3.11Å; L242-L247 HydrophobicContact CD2-CD1 3.4Å; L242-L247 VanDerWaalsContact CD2-CD1 3.4Å; L242-L247 HydrophobicContact CD2-CG 4.18Å; L242-L247 PolarHBondContact O-N 2.89Å
243	L	81.2	Confident	74	Confident	3 Å²	3	58 Å²	58	2%	0.016	31%	0.308	C	S	.	.	I	π-helix	trans	-58.8	-51.8	176	-71.9	167.2	0	0	0	110.4	W204 F208 M227 L239 T240 L247 L248 L276	W204-L243 HydrophobicContact CE3-CD2 4.38Å; W204-L243 HydrophobicContact CZ3-CD2 4.49Å; F208-L243 HydrophobicContact CE2-CD2 3.84Å; F208-L243 HydrophobicContact CZ-CD2 3.63Å; M227-L243 HydrophobicContact CE-CD1 4.11Å; L239-L243 HydrophobicContact CD1-CD1 4.19Å; L239-L243 HydrophobicContact CD1-CG 4.23Å; L239-L243 HydrophobicContact CG-CD1 4.03Å; L239-L243 WeakPolarHBondContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.24Å; L239-L243 PolarHBondContact O-N 3.43Å; T240-L243 PolarHBondContact O-N 2.81Å; L243-L247 HydrophobicContact CD2-CD1 3.83Å; L243-L247 PolarHBondContact O-N 3.06Å; L243-L248 WeakPolarHBondContact O-CB 3.26Å; L243-L248 VanDerWaalsContact O-CG 3.3Å; L243-L248 WeakPolarHBondContact O-CG 3.33Å; L243-L248 PolarHBondContact O-N 2.97Å; L243-L276 HydrophobicContact CB-CD2 4.04Å; L243-L276 HydrophobicContact CD1-CD1 3.99Å
244	K	80.9	Confident	75.3	Confident	86 Å²	86	54 Å²	54	37%	0.374	28%	0.283	S	S	.	.	I	π-helix	trans	-66.3	-41.8	-177	-166.4	171.8	-176.4	170.6	0	114	T240 D275 L276	T240-K244 VanDerWaalsContact O-CB 3.26Å; T240-K244 WeakPolarHBondContact O-CB 3.36Å; T240-K244 PolarHBondContact O-N 3.42Å; K244-D275 IonicContact NZ-OD2 3.54Å; K244-D275 PolarHBondContact NZ-OD2 3.04Å; K244-L276 HydrophobicContact CB-CD2 3.8Å; K244-L276 HydrophobicContact CG-CD2 4.5Å
245	S	77.7	Confident	76.6	Confident	62 Å²	62	51.7 Å²	51.7	43%	0.434	27%	0.273	S	S	.	.	I	π-helix	trans	-85.6	-32.1	-170.9	65.4	0	0	0	0	114.1	C241	C241-S245 WeakPolarHBondContact O-CB 3.27Å; C241-S245 PolarHBondContact O-N 3.03Å; C241-S245 PolarHBondContact O-OG 2.85Å
246	Q	75.3	Confident	77.8	Confident	80 Å²	80	51.6 Å²	51.6	37%	0.374	27%	0.272	S	S	.	.	I	π-helix	trans	-116.2	-53.9	-171.8	-66.7	175.8	-9.3	0	0	111.7	L242	L242-Q246 PolarHBondContact O-N 2.77Å; L242-Q246 VanDerWaalsContact O-N 3.11Å
247	L	78.5	Confident	79.1	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	27%	0.268	C	S	.	.	I	π-helix	trans	-80.3	-43.7	-167.2	-66.7	173.1	0	0	0	113.6	W204 M205 F208 L242 L243 K249 D250 M251	W204-L247 HydrophobicContact CB-CD1 4.13Å; M205-L247 HydrophobicContact SD-CD2 3.5Å; M205-L247 VanDerWaalsContact SD-CD2 3.5Å; M205-L247 HydrophobicContact SD-CG 4.42Å; F208-L247 HydrophobicContact CB-CD2 3.83Å; F208-L247 HydrophobicContact CD1-CB 3.88Å; F208-L247 HydrophobicContact CD1-CD1 4.35Å; F208-L247 HydrophobicContact CD1-CD2 3.86Å; F208-L247 HydrophobicContact CD1-CG 4.25Å; F208-L247 HydrophobicContact CD2-CD1 3.65Å; F208-L247 HydrophobicContact CD2-CD2 4.1Å; F208-L247 HydrophobicContact CD2-CG 4.34Å; F208-L247 HydrophobicContact CE1-CB 3.59Å; F208-L247 HydrophobicContact CE1-CD1 4.24Å; F208-L247 HydrophobicContact CE1-CD2 4.39Å; F208-L247 HydrophobicContact CE1-CG 4.29Å; F208-L247 HydrophobicContact CE2-CB 4.38Å; F208-L247 HydrophobicContact CE2-CD1 3.52Å; F208-L247 HydrophobicContact CE2-CG 4.38Å; F208-L247 HydrophobicContact CG-CB 4.37Å; F208-L247 HydrophobicContact CG-CD1 4.05Å; F208-L247 HydrophobicContact CG-CD2 3.66Å; F208-L247 HydrophobicContact CG-CG 4.25Å; F208-L247 HydrophobicContact CZ-CB 3.84Å; F208-L247 HydrophobicContact CZ-CD1 3.82Å; F208-L247 HydrophobicContact CZ-CG 4.34Å; L242-L247 HydrophobicContact CD2-CD1 3.4Å; L242-L247 VanDerWaalsContact CD2-CD1 3.4Å; L242-L247 HydrophobicContact CD2-CG 4.18Å; L242-L247 PolarHBondContact O-N 2.89Å; L243-L247 HydrophobicContact CD2-CD1 3.83Å; L243-L247 PolarHBondContact O-N 3.06Å; L247-K249 VanDerWaalsContact C-N 3.34Å; L247-K249 PolarHBondContact O-N 3.04Å; L247-D250 PolarHBondContact O-N 2.9Å; L247-M251 WeakPolarHBondContact O-CG 3.38Å; L247-M251 PolarHBondContact O-N 3.12Å
248	L	81.4	Confident	80.1	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-33.5	-178.4	-70.1	-179.7	0	0	0	112.7	W161 L243 D250 M251 L258 L276	W161-L248 HydrophobicContact CB-CB 4.39Å; W161-L248 VanDerWaalsContact CB-O 3.25Å; W161-L248 WeakPolarHBondContact CB-O 3.5Å; W161-L248 HydrophobicContact CD2-CB 4.22Å; W161-L248 HydrophobicContact CG-CB 3.97Å; W161-L248 HydrophobicContact CG-CD2 4.4Å; L243-L248 WeakPolarHBondContact O-CB 3.26Å; L243-L248 VanDerWaalsContact O-CG 3.3Å; L243-L248 WeakPolarHBondContact O-CG 3.33Å; L243-L248 PolarHBondContact O-N 2.97Å; L248-D250 VanDerWaalsContact C-N 3.34Å; L248-M251 HydrophobicContact CD2-SD 3.81Å; L248-M251 WeakPolarHBondContact O-CB 3.35Å; L248-M251 PolarHBondContact O-N 2.6Å; L248-L258 HydrophobicContact CD2-CD2 3.68Å; L248-L276 HydrophobicContact CD1-CB 4.26Å; L248-L276 HydrophobicContact CD1-CD2 3.86Å
249	K	78.1	Confident	81.2	Confident	139 Å²	139	36.8 Å²	36.8	60%	0.604	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-65.3	-40.6	176.4	-68.4	-173	-177.7	177.9	0	111.6	L247 M251	L247-K249 VanDerWaalsContact C-N 3.34Å; L247-K249 PolarHBondContact O-N 3.04Å; K249-M251 PolarHBondContact O-N 3.03Å
250	D	79.6	Confident	82	Confident	85 Å²	85	36.8 Å²	36.8	46%	0.455	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-75.5	-8.3	179.1	-65.6	-2	0	0	0	113.3	K212 L247 L248	K212-D250 IonicContact NZ-OD2 2.9Å; L247-D250 PolarHBondContact O-N 2.9Å; L248-D250 VanDerWaalsContact C-N 3.34Å
251	M	78.4	Confident	82.6	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.015	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-80.3	-27.5	176.9	-78.3	-178.9	135.5	0	0	112.9	F208 L219 L247 L248 K249 S253 S254 V256 L258	F208-M251 HydrophobicContact CD1-CE 3.8Å; F208-M251 HydrophobicContact CD1-CG 4.47Å; F208-M251 HydrophobicContact CD1-SD 4.42Å; F208-M251 HydrophobicContact CE1-CE 3.3Å; F208-M251 HydrophobicContact CE1-CG 4.24Å; F208-M251 HydrophobicContact CE1-SD 3.69Å; F208-M251 HydrophobicContact CZ-CE 4.2Å; L219-M251 HydrophobicContact CD2-CE 4.06Å; L247-M251 WeakPolarHBondContact O-CG 3.38Å; L247-M251 PolarHBondContact O-N 3.12Å; L248-M251 HydrophobicContact CD2-SD 3.81Å; L248-M251 WeakPolarHBondContact O-CB 3.35Å; L248-M251 PolarHBondContact O-N 2.6Å; K249-M251 PolarHBondContact O-N 3.03Å; M251-S253 PolarHBondContact O-N 3.25Å; M251-S254 WeakPolarHBondContact CA-OG 3.49Å; M251-S254 WeakPolarHBondContact O-CB 3.47Å; M251-S254 PolarHBondContact O-N 3.26Å; M251-S254 PolarHBondContact O-OG 3.31Å; M251-V256 HydrophobicContact CE-CB 4.32Å; M251-V256 HydrophobicContact CE-CG1 3.69Å; M251-L258 HydrophobicContact CE-CB 4Å; M251-L258 HydrophobicContact CE-CD1 4.32Å; M251-L258 HydrophobicContact SD-CB 4.1Å
252	V	77	Confident	83.1	Confident	47 Å²	47	34.4 Å²	34.4	29%	0.285	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	126.4	177	-174.8	0	0	0	0	107.9	W161 S254	W161-V252 HydrophobicContact CB-CG2 3.93Å; V252-S254 PolarHBondContact O-N 2.64Å
253	S	74.8	Confident	83.4	Confident	128 Å²	128	39.8 Å²	39.8	90%	0.895	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	2.8	-175.2	73.2	0	0	0	0	117.8	M251 G255	M251-S253 PolarHBondContact O-N 3.25Å; S253-G255 VanDerWaalsContact C-N 3.28Å; S253-G255 PolarHBondContact O-N 3.35Å
254	S	82.3	Confident	83.3	Confident	28 Å²	28	41.4 Å²	41.4	20%	0.196	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.8	177.9	69.1	0	0	0	0	114.6	S215 M251 V252 V256	S215-S254 WeakPolarHBondContact CB-O 3.41Å; S215-S254 PolarHBondContact OG-O 2.9Å; M251-S254 WeakPolarHBondContact CA-OG 3.49Å; M251-S254 WeakPolarHBondContact O-CB 3.47Å; M251-S254 PolarHBondContact O-N 3.26Å; M251-S254 PolarHBondContact O-OG 3.31Å; V252-S254 PolarHBondContact O-N 2.64Å; S254-V256 PolarHBondContact O-N 3.36Å; S254-V256 PolarHBondContact OG-N 2.7Å
255	G	84	Confident	83.1	Confident	23 Å²	23	38.7 Å²	38.7	24%	0.237	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	14.5	-170.9	0	0	0	0	0	114.1	L152 S215 P216 C217 S253	L152-G255 WeakPolarHBondContact CD2-O 3.34Å; S215-G255 WeakPolarHBondContact OG-CA 3.46Å; S215-G255 PolarHBondContact OG-O 3.15Å; P216-G255 WeakPolarHBondContact CA-O 3.32Å; C217-G255 PolarHBondContact N-O 3.47Å; S253-G255 VanDerWaalsContact C-N 3.28Å; S253-G255 PolarHBondContact O-N 3.35Å
256	V	88.2	Confident	83.3	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.2	174.3	-174.2	0	0	0	0	109.7	P162 A211 K212 C217 L219 M251 S254	P162-V256 WeakPolarHBondContact CG-O 3Å; A211-V256 HydrophobicContact CB-CG1 3.87Å; A211-V256 HydrophobicContact CB-CG2 4.27Å; K212-V256 HydrophobicContact CG-CG2 4.23Å; C217-V256 WeakPolarHBondContact O-CA 3.46Å; L219-V256 HydrophobicContact CB-CG1 4.18Å; M251-V256 HydrophobicContact CE-CB 4.32Å; M251-V256 HydrophobicContact CE-CG1 3.69Å; S254-V256 PolarHBondContact O-N 3.36Å; S254-V256 PolarHBondContact OG-N 2.7Å
257	V	90.3	Very high	83.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.8	173.4	176.3	0	0	0	0	110	F147 L148 H151 L152 P162 C217 I218 L219 I259	F147-V257 HydrophobicContact CE1-CG1 3.62Å; F147-V257 HydrophobicContact CZ-CG1 4.35Å; L148-V257 HydrophobicContact CD2-CB 4.33Å; L148-V257 HydrophobicContact CD2-CG1 3.91Å; L148-V257 HydrophobicContact CD2-CG2 4.29Å; H151-V257 HydrophobicContact CB-CG2 4.14Å; L152-V257 HydrophobicContact CD1-CG2 3.77Å; L152-V257 HydrophobicContact CD2-CG2 3.73Å; L152-V257 HydrophobicContact CG-CG2 3.59Å; P162-V257 HydrophobicContact CB-CB 4.38Å; P162-V257 HydrophobicContact CB-CG1 4.27Å; P162-V257 HydrophobicContact CB-CG2 3.97Å; P162-V257 HydrophobicContact CG-CG2 4.31Å; C217-V257 PolarHBondContact O-N 3.5Å; I218-V257 WeakPolarHBondContact CA-O 3.22Å; I218-V257 HydrophobicContact CG1-CB 4.32Å; L219-V257 PolarHBondContact N-O 3.37Å; V257-I259 HydrophobicContact CG1-CG1 4.08Å
258	L	91.9	Very high	83.3	Confident	4 Å²	4	34 Å²	34	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.6	174.6	-173.7	68.7	0	0	0	110.4	P162 S163 L164 L219 L221 L248 M251 F277	P162-L258 PolarHBondContact O-N 3.23Å; S163-L258 CarbonylContact C-O 3.59Å; S163-L258 VanDerWaalsContact CA-O 3.32Å; S163-L258 WeakPolarHBondContact CA-O 3.42Å; L164-L258 PolarHBondContact N-O 2.89Å; L219-L258 HydrophobicContact CB-CD1 4.14Å; L219-L258 HydrophobicContact CD2-CD1 3.77Å; L219-L258 HydrophobicContact CG-CD1 3.83Å; L221-L258 HydrophobicContact CD1-CD1 3.7Å; L221-L258 HydrophobicContact CD1-CD2 4.43Å; L221-L258 HydrophobicContact CD1-CG 4.41Å; L221-L258 HydrophobicContact CD2-CD1 4.38Å; L221-L258 HydrophobicContact CG-CD1 3.7Å; L248-L258 HydrophobicContact CD2-CD2 3.68Å; M251-L258 HydrophobicContact CE-CB 4Å; M251-L258 HydrophobicContact CE-CD1 4.32Å; M251-L258 HydrophobicContact SD-CB 4.1Å; L258-F277 HydrophobicContact CD2-CE1 4.28Å; L258-F277 HydrophobicContact CG-CE1 4.44Å
259	I	93.9	Very high	83.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.9	172.6	-55.9	-176.4	0	0	0	109.2	L148 L164 I166 I178 I218 L219 H220 L221 V257	L148-I259 HydrophobicContact CD2-CD1 4.34Å; L164-I259 HydrophobicContact CB-CG1 4.32Å; L164-I259 HydrophobicContact CD2-CD1 4.43Å; L164-I259 HydrophobicContact CD2-CG1 4.48Å; L164-I259 CarbonylContact O-C 3.59Å; L164-I259 WeakPolarHBondContact O-CA 3.07Å; I166-I259 HydrophobicContact CD1-CG2 3.77Å; I166-I259 HydrophobicContact CG1-CG2 3.98Å; I178-I259 HydrophobicContact CD1-CG2 3.67Å; I178-I259 HydrophobicContact CG1-CG2 4.02Å; I178-I259 HydrophobicContact CG2-CD1 4.2Å; I218-I259 HydrophobicContact CD1-CD1 4.42Å; I218-I259 HydrophobicContact CG2-CB 4.35Å; I218-I259 HydrophobicContact CG2-CD1 3.64Å; I218-I259 HydrophobicContact CG2-CG1 3.9Å; L219-I259 PolarHBondContact O-N 3.24Å; H220-I259 CarbonylContact C-O 3.46Å; H220-I259 VanDerWaalsContact CA-O 3.29Å; H220-I259 WeakPolarHBondContact CA-O 3.33Å; L221-I259 PolarHBondContact N-O 3.3Å; V257-I259 HydrophobicContact CG1-CG1 4.08Å
260	G	92.7	Very high	83.4	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138.2	172.7	0	0	0	0	0	112.6	L164 I166 L221	L164-G260 PolarHBondContact O-N 2.9Å; I166-G260 PolarHBondContact N-O 3.03Å; L221-G260 CarbonylContact O-C 3.49Å
261	E	92.2	Very high	83.5	Confident	8 Å²	8	31.5 Å²	31.5	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.2	168	-174.7	174	165.7	0	0	110.2	I166 K174 T175 H220 L221 I224	I166-E261 WeakPolarHBondContact O-CA 3.05Å; K174-E261 HydrophobicContact CB-CG 3.98Å; K174-E261 WeakPolarHBondContact CB-OE1 3.39Å; K174-E261 HydrophobicContact CD-CG 3.88Å; K174-E261 WeakPolarHBondContact CE-OE1 3.23Å; T175-E261 PolarHBondContact N-OE2 3.29Å; T175-E261 PolarHBondContact OG1-OE1 3.19Å; T175-E261 PolarHBondContact OG1-OE2 3.49Å; H220-E261 IonicContact CE1-OE2 3.67Å; H220-E261 IonicContact NE2-OE2 3.45Å; H220-E261 PolarHBondContact NE2-OE2 3.47Å; L221-E261 PolarHBondContact O-N 3.16Å; I224-E261 PolarHBondContact N-O 3.45Å
262	T	88.6	Confident	83.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.5	171.1	173.8	0	0	0	0	110.1	L165 I166 N167 G168 K174 S264 L269	L165-T262 HydrophobicContact CD1-CG2 3.83Å; L165-T262 HydrophobicContact CD2-CG2 4.4Å; L165-T262 HydrophobicContact CG-CG2 4.15Å; I166-T262 PolarHBondContact O-N 2.77Å; N167-T262 HydrophobicContact CB-CG2 3.57Å; G168-T262 PolarHBondContact N-O 3.1Å; K174-T262 WeakPolarHBondContact CE-O 3.43Å; T262-S264 PolarHBondContact OG1-N 3.46Å; T262-S264 PolarHBondContact OG1-O 2.78Å; T262-L269 HydrophobicContact CG2-CD1 4.08Å
263	R	83.7	Confident	84.1	Confident	132 Å²	132	31.3 Å²	31.3	50%	0.498	18%	0.182	S	C	.	.	S	Bend	trans	-93.5	-13.8	170.4	-55.1	172	-171.8	170.9	7.1	112	E225	E225-R263 WeakPolarHBondContact OE1-CB 3.4Å; E225-R263 PolarHBondContact OE1-N 2.91Å
264	S	79.7	Confident	84.7	Confident	37 Å²	37	25.8 Å²	25.8	26%	0.259	14%	0.143	S	C	.	.	S	Bend	trans	-92.2	145	-177.8	-50.2	0	0	0	0	110.6	N167 T262 S268	N167-S264 PolarHBondContact OD1-O 2.54Å; T262-S264 PolarHBondContact OG1-N 3.46Å; T262-S264 PolarHBondContact OG1-O 2.78Å; S264-S268 VanDerWaalsContact CB-OG 3.27Å; S264-S268 WeakPolarHBondContact CB-OG 3.36Å
265	L	77.4	Confident	84.9	Confident	30 Å²	30	27.6 Å²	27.6	16%	0.157	15%	0.15	C	C	.	.			trans	-55.9	151.1	177.3	-62.1	166.8	0	0	0	111.6	A267 S268 E525 R529	L265-A267 PolarHBondContact O-N 3.22Å; L265-S268 PolarHBondContact N-OG 2.76Å; L265-S268 WeakPolarHBondContact O-CB 3.42Å; L265-S268 PolarHBondContact O-N 3.4Å; L265-S268 PolarHBondContact O-OG 2.76Å; L265-E525 HydrophobicContact CD1-CB 3.83Å; L265-E525 HydrophobicContact CD1-CG 4.05Å; L265-R529 HydrophobicContact CD1-CG 3.46Å; L265-R529 VanDerWaalsContact CD1-CG 3.46Å; L265-R529 HydrophobicContact CD2-CG 3.79Å; L265-R529 HydrophobicContact CG-CG 4.24Å
266	L	81.2	Confident	85	Confident	23 Å²	23	26.7 Å²	26.7	12%	0.12	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-61.3	-35.4	179.8	-62.9	177.4	0	0	0	111.8	L165 N167 S268 L269 L274 K280 T282 E528	L165-L266 HydrophobicContact CD2-CD2 3.52Å; L165-L266 HydrophobicContact CG-CD2 4.31Å; N167-L266 HydrophobicContact CB-CD2 3.78Å; N167-L266 HydrophobicContact CB-CG 4.15Å; N167-L266 PolarHBondContact ND2-N 3.11Å; L266-S268 PolarHBondContact O-N 2.81Å; L266-L269 PolarHBondContact O-N 2.9Å; L266-L269 VanDerWaalsContact O-N 3.12Å; L266-L274 HydrophobicContact CB-CD2 4.36Å; L266-L274 HydrophobicContact CD2-CD2 3.95Å; L266-K280 HydrophobicContact CD1-CB 4.47Å; L266-K280 HydrophobicContact CD1-CD 4.06Å; L266-T282 HydrophobicContact CD1-CG2 3.67Å; L266-T282 HydrophobicContact CG-CG2 4.4Å; L266-E528 WeakPolarHBondContact CB-OE2 3.49Å; L266-E528 PolarHBondContact N-OE2 3.47Å
267	A	75.3	Confident	85.1	Confident	12 Å²	12	27.2 Å²	27.2	10%	0.099	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-60.1	-29.9	176.7	0	0	0	0	0	112.8	L265 R524 E525 E528	L265-A267 PolarHBondContact O-N 3.22Å; A267-R524 HydrophobicContact CB-CB 4.15Å; A267-R524 HydrophobicContact CB-CG 3.74Å; A267-E525 HydrophobicContact CB-CG 3.82Å; A267-E528 WeakPolarHBondContact CA-OE1 3.39Å; A267-E528 WeakPolarHBondContact CA-OE2 3.46Å; A267-E528 HydrophobicContact CB-CB 4.33Å; A267-E528 HydrophobicContact CB-CG 3.99Å; A267-E528 WeakPolarHBondContact CB-OE1 3.3Å; A267-E528 WeakPolarHBondContact CB-OE2 3.48Å; A267-E528 PolarHBondContact N-OE1 3.21Å; A267-E528 PolarHBondContact N-OE2 3.21Å
268	S	77.8	Confident	85	Confident	11 Å²	11	29.8 Å²	29.8	8%	0.077	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-81.1	-22.4	-177.3	79.5	0	0	0	0	111.3	S264 L265 L266 R521 E525	S264-S268 VanDerWaalsContact CB-OG 3.27Å; S264-S268 WeakPolarHBondContact CB-OG 3.36Å; L265-S268 PolarHBondContact N-OG 2.76Å; L265-S268 WeakPolarHBondContact O-CB 3.42Å; L265-S268 PolarHBondContact O-N 3.4Å; L265-S268 PolarHBondContact O-OG 2.76Å; L266-S268 PolarHBondContact O-N 2.81Å; S268-R521 PolarHBondContact O-NH2 3.29Å; S268-E525 VanDerWaalsContact CB-OE1 3.24Å; S268-E525 WeakPolarHBondContact CB-OE1 3.29Å
269	L	82.9	Confident	84.9	Confident	8 Å²	8	33.8 Å²	33.8	4%	0.042	18%	0.176	C	C	.	.	S	Bend	trans	-82	139.2	179.3	-67	174.6	0	0	0	111.6	L165 E225 T262 L266 L274	L165-L269 HydrophobicContact CD2-CD1 4.18Å; E225-L269 HydrophobicContact CB-CD2 4.48Å; T262-L269 HydrophobicContact CG2-CD1 4.08Å; L266-L269 PolarHBondContact O-N 2.9Å; L266-L269 VanDerWaalsContact O-N 3.12Å; L269-L274 HydrophobicContact CB-CD2 4.06Å; L269-L274 HydrophobicContact CB-CG 4.19Å; L269-L274 HydrophobicContact CD1-CD2 4.11Å
270	P	79.7	Confident	84.7	Confident	43 Å²	43	38.1 Å²	38.1	28%	0.279	20%	0.195	S	C	.	.			trans	-56.2	141.3	170.4	-25.3	32.5	0	0	0	112.8	S272 I273 L274	P270-S272 PolarHBondContact O-N 3.11Å; P270-S272 VanDerWaalsContact O-N 3.11Å; P270-I273 HydrophobicContact CB-CG1 4.44Å; P270-I273 HydrophobicContact CG-CD1 4.26Å; P270-I273 PolarHBondContact O-N 2.74Å; P270-L274 PolarHBondContact O-N 2.75Å
271	Q	82.4	Confident	84.6	Confident	122 Å²	122	38.6 Å²	38.6	57%	0.57	20%	0.198	S	C	*	.	H	α-helix	trans	-55.3	-34.2	178.5	-173	61.8	34.4	0	0	112.6	I273 L274 D275	Q271-I273 VanDerWaalsContact C-N 3.25Å; Q271-I273 PolarHBondContact O-N 2.96Å; Q271-L274 PolarHBondContact O-N 2.97Å; Q271-D275 PolarHBondContact NE2-OD1 3.4Å; Q271-D275 WeakPolarHBondContact O-CB 3.46Å; Q271-D275 VanDerWaalsContact O-CG 3.22Å; Q271-D275 PolarHBondContact O-N 3.11Å
272	S	82.3	Confident	84.2	Confident	46 Å²	46	41.3 Å²	41.3	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-32.7	177.4	59.3	0	0	0	0	113.4	T240 P270	T240-S272 WeakPolarHBondContact CG2-O 3.35Å; P270-S272 PolarHBondContact O-N 3.11Å; P270-S272 VanDerWaalsContact O-N 3.11Å
273	I	85.4	Confident	84	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-78.3	-43.5	175.5	-60.6	-176.5	0	0	0	109.6	I224 M227 T236 P270 Q271 D275 L276 F277	I224-I273 HydrophobicContact CG2-CG2 3.54Å; M227-I273 HydrophobicContact CB-CD1 3.87Å; M227-I273 HydrophobicContact CE-CG1 4.5Å; T236-I273 HydrophobicContact CG2-CD1 4.33Å; P270-I273 HydrophobicContact CB-CG1 4.44Å; P270-I273 HydrophobicContact CG-CD1 4.26Å; P270-I273 PolarHBondContact O-N 2.74Å; Q271-I273 VanDerWaalsContact C-N 3.25Å; Q271-I273 PolarHBondContact O-N 2.96Å; I273-D275 PolarHBondContact O-N 3.02Å; I273-L276 VanDerWaalsContact O-CB 3.26Å; I273-L276 WeakPolarHBondContact O-CB 3.21Å; I273-L276 WeakPolarHBondContact O-CG 3.34Å; I273-L276 PolarHBondContact O-N 3.06Å; I273-F277 HydrophobicContact CG2-CE2 4.43Å; I273-F277 WeakPolarHBondContact O-CD2 3.11Å
274	L	86.7	Confident	83.7	Confident	13 Å²	13	36.9 Å²	36.9	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-34.2	177	-67.4	178.9	0	0	0	112.5	L165 L266 L269 P270 Q271 L276 F277	L165-L274 HydrophobicContact CD2-CD2 3.93Å; L266-L274 HydrophobicContact CB-CD2 4.36Å; L266-L274 HydrophobicContact CD2-CD2 3.95Å; L269-L274 HydrophobicContact CB-CD2 4.06Å; L269-L274 HydrophobicContact CB-CG 4.19Å; L269-L274 HydrophobicContact CD1-CD2 4.11Å; P270-L274 PolarHBondContact O-N 2.75Å; Q271-L274 PolarHBondContact O-N 2.97Å; L274-L276 PolarHBondContact O-N 3.08Å; L274-F277 PolarHBondContact O-N 2.82Å
275	D	86.6	Confident	83.5	Confident	66 Å²	66	36.8 Å²	36.8	35%	0.353	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.9	176.4	-76.1	2.9	0	0	0	114.2	K244 Q271 I273	K244-D275 IonicContact NZ-OD2 3.54Å; K244-D275 PolarHBondContact NZ-OD2 3.04Å; Q271-D275 PolarHBondContact NE2-OD1 3.4Å; Q271-D275 WeakPolarHBondContact O-CB 3.46Å; Q271-D275 VanDerWaalsContact O-CG 3.22Å; Q271-D275 PolarHBondContact O-N 3.11Å; I273-D275 PolarHBondContact O-N 3.02Å
276	L	86.5	Confident	83.6	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.021	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.3	175	-63	175.8	0	0	0	111.5	W161 S163 M227 T240 L243 K244 L248 I273 L274	W161-L276 PolarHBondContact NE1-O 3.48Å; S163-L276 WeakPolarHBondContact CB-O 3.15Å; S163-L276 PolarHBondContact OG-O 3.44Å; M227-L276 HydrophobicContact CE-CD1 4.22Å; T240-L276 HydrophobicContact CG2-CD1 4.12Å; T240-L276 HydrophobicContact CG2-CD2 3.94Å; T240-L276 HydrophobicContact CG2-CG 4.09Å; L243-L276 HydrophobicContact CB-CD2 4.04Å; L243-L276 HydrophobicContact CD1-CD1 3.99Å; K244-L276 HydrophobicContact CB-CD2 3.8Å; K244-L276 HydrophobicContact CG-CD2 4.5Å; L248-L276 HydrophobicContact CD1-CB 4.26Å; L248-L276 HydrophobicContact CD1-CD2 3.86Å; I273-L276 VanDerWaalsContact O-CB 3.26Å; I273-L276 WeakPolarHBondContact O-CB 3.21Å; I273-L276 WeakPolarHBondContact O-CG 3.34Å; I273-L276 PolarHBondContact O-N 3.06Å; L274-L276 PolarHBondContact O-N 3.08Å
277	F	90.5	Very high	83.5	Confident	12 Å²	12	37.2 Å²	37.2	5%	0.053	21%	0.21	C	C	.	.			trans	-107.4	124	-172.9	-59.4	-82.6	0	0	0	111.4	S163 L164 L165 I224 L258 I273 L274	S163-F277 WeakPolarHBondContact OG-CA 3.26Å; L164-F277 VanDerWaalsContact C-CD1 3.48Å; L164-F277 WeakPolarHBondContact O-CD1 2.7Å; L165-F277 HydrophobicContact CB-CB 3.75Å; L165-F277 HydrophobicContact CB-CD1 3.93Å; L165-F277 HydrophobicContact CB-CD2 3.91Å; L165-F277 HydrophobicContact CB-CG 3.59Å; L165-F277 HydrophobicContact CD1-CD2 4.15Å; L165-F277 HydrophobicContact CD1-CE2 3.98Å; L165-F277 HydrophobicContact CD1-CZ 4.19Å; L165-F277 HydrophobicContact CD2-CD2 4.11Å; L165-F277 HydrophobicContact CG-CD2 4.29Å; L165-F277 HydrophobicContact CG-CG 4.45Å; I224-F277 HydrophobicContact CD1-CE1 4.25Å; I224-F277 HydrophobicContact CD1-CE2 3.85Å; I224-F277 HydrophobicContact CD1-CZ 3.37Å; L258-F277 HydrophobicContact CD2-CE1 4.28Å; L258-F277 HydrophobicContact CG-CE1 4.44Å; I273-F277 HydrophobicContact CG2-CE2 4.43Å; I273-F277 WeakPolarHBondContact O-CD2 3.11Å; L274-F277 PolarHBondContact O-N 2.82Å
278	T	87.9	Confident	83.8	Confident	55 Å²	55	39.1 Å²	39.1	34%	0.337	22%	0.217	S	C	.	.	S	Bend	trans	-78.9	-33.7	-177.6	52.8	0	0	0	0	111.6	V160 W161 S163	V160-T278 HydrophobicContact CG1-CG2 3.45Å; V160-T278 VanDerWaalsContact CG1-CG2 3.45Å; W161-T278 HydrophobicContact CD2-CG2 4.28Å; W161-T278 HydrophobicContact CG-CG2 4.38Å; W161-T278 HydrophobicContact CZ2-CG2 4.2Å; W161-T278 WeakPolarHBondContact O-CG2 3.43Å; W161-T278 PolarHBondContact O-OG1 3.25Å; S163-T278 PolarHBondContact N-OG1 3.28Å; S163-T278 PolarHBondContact O-N 3.27Å; S163-T278 PolarHBondContact O-OG1 3.33Å; S163-T278 WeakPolarHBondContact OG-CG2 3.46Å; S163-T278 PolarHBondContact OG-N 2.57Å; S163-T278 PolarHBondContact OG-OG1 3.04Å
279	Q	90	Very high	84	Confident	88 Å²	88	42.7 Å²	42.7	41%	0.411	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.2	174.6	-64.7	-166.6	7.8	0	0	111.5	F147 S163 L164 L165	F147-Q279 HydrophobicContact CD2-CB 4.45Å; F147-Q279 HydrophobicContact CD2-CG 4.19Å; F147-Q279 HydrophobicContact CE2-CB 4.24Å; F147-Q279 HydrophobicContact CE2-CG 4.03Å; S163-Q279 PolarHBondContact O-N 3.32Å; L164-Q279 WeakPolarHBondContact CA-O 3.36Å; L164-Q279 HydrophobicContact CD1-CB 3.67Å; L165-Q279 PolarHBondContact N-O 3.18Å
280	K	90.3	Very high	84.1	Confident	90 Å²	90	45 Å²	45	39%	0.391	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.6	-179.4	-57	177.9	-173.2	170.7	0	109	L165 L266	L165-K280 HydrophobicContact CB-CG 4.31Å; L165-K280 CarbonylContact O-C 3.52Å; L165-K280 WeakPolarHBondContact O-CA 3.46Å; L266-K280 HydrophobicContact CD1-CB 4.47Å; L266-K280 HydrophobicContact CD1-CD 4.06Å
281	L	89.8	Confident	84.6	Confident	11 Å²	11	43.1 Å²	43.1	6%	0.058	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.6	171.4	-62.8	178.7	0	0	0	108.5	Q143 I144 L164 L165 I166 N167	Q143-L281 HydrophobicContact CB-CD2 3.81Å; Q143-L281 HydrophobicContact CG-CD2 4.46Å; I144-L281 HydrophobicContact CB-CD1 4.12Å; I144-L281 HydrophobicContact CG1-CD1 4.47Å; L164-L281 HydrophobicContact CD1-CD1 3.92Å; L164-L281 HydrophobicContact CD1-CG 3.73Å; L164-L281 HydrophobicContact CD2-CD1 3.81Å; L164-L281 HydrophobicContact CG-CD1 4.24Å; L164-L281 HydrophobicContact CG-CG 4.42Å; L165-L281 PolarHBondContact O-N 2.99Å; I166-L281 CarbonylContact C-O 3.58Å; I166-L281 WeakPolarHBondContact CA-O 3.35Å; I166-L281 HydrophobicContact CG1-CB 4.42Å; N167-L281 PolarHBondContact N-O 3.27Å
282	T	84.7	Confident	84.9	Confident	64 Å²	64	39 Å²	39	39%	0.393	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.4	178.5	53.4	0	0	0	0	108.9	N167 L266 G284	N167-T282 HydrophobicContact CB-CG2 4.33Å; N167-T282 CarbonylContact O-C 3.58Å; N167-T282 WeakPolarHBondContact O-CA 3.39Å; L266-T282 HydrophobicContact CD1-CG2 3.67Å; L266-T282 HydrophobicContact CG-CG2 4.4Å; T282-G284 PolarHBondContact O-N 2.74Å
283	F	84.3	Confident	85.1	Confident	9 Å²	9	44.2 Å²	44.2	4%	0.039	23%	0.23	C	C	.	.			trans	-66.1	113.6	161.1	-78.4	-107.2	0	0	0	107.6	V136 L140 I166 N167 C172 K174 L177	V136-F283 HydrophobicContact CG1-CE1 4.14Å; V136-F283 HydrophobicContact CG1-CZ 4.38Å; V136-F283 HydrophobicContact CG2-CE1 4.18Å; L140-F283 HydrophobicContact CD1-CD1 3.82Å; L140-F283 HydrophobicContact CD1-CD2 4.18Å; L140-F283 HydrophobicContact CD1-CE1 4.01Å; L140-F283 HydrophobicContact CD1-CE2 4.33Å; L140-F283 HydrophobicContact CD1-CG 3.93Å; L140-F283 HydrophobicContact CD1-CZ 4.28Å; I166-F283 HydrophobicContact CG2-CD2 3.77Å; I166-F283 HydrophobicContact CG2-CE2 3.5Å; I166-F283 VanDerWaalsContact CG2-CE2 3.5Å; N167-F283 PolarHBondContact O-N 3.37Å; C172-F283 HydrophobicContact CB-CB 4.43Å; C172-F283 HydrophobicContact CB-CD1 3.98Å; C172-F283 HydrophobicContact CB-CG 4.43Å; C172-F283 WeakPolarHBondContact O-CE1 3.44Å; C172-F283 VanDerWaalsContact SG-CG 3.57Å; K174-F283 HydrophobicContact CB-CE2 4.26Å; K174-F283 HydrophobicContact CG-CD2 3.75Å; K174-F283 HydrophobicContact CG-CE2 3.71Å; K174-F283 HydrophobicContact CG-CG 4.39Å; K174-F283 HydrophobicContact CG-CZ 4.29Å; L177-F283 HydrophobicContact CB-CZ 3.95Å; L177-F283 HydrophobicContact CD2-CE2 3.74Å; L177-F283 HydrophobicContact CD2-CZ 3.48Å; L177-F283 VanDerWaalsContact CD2-CZ 3.48Å; L177-F283 HydrophobicContact CG-CZ 4.34Å
284	G	75.6	Confident	85.2	Confident	31 Å²	31	44.3 Å²	44.3	32%	0.32	23%	0.231	S	C	.	.			trans	-76.2	174.9	165.4	0	0	0	0	0	111.2	T282 A532	T282-G284 PolarHBondContact O-N 2.74Å; G284-A532 WeakPolarHBondContact CA-O 3.24Å
285	M	76.3	Confident	85.3	Confident	34 Å²	34	43.8 Å²	43.8	17%	0.167	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-65.7	148.2	173.9	-59.6	-61.1	-63.7	0	0	111.1	P169 S287 G335 E337 V427 A532 C533	P169-M285 HydrophobicContact CG-SD 4.36Å; M285-S287 PolarHBondContact O-N 2.76Å; M285-G335 WeakPolarHBondContact CE-O 3.32Å; M285-E337 WeakPolarHBondContact CA-OE1 3.47Å; M285-E337 WeakPolarHBondContact CE-OE1 3.03Å; M285-E337 VanDerWaalsContact SD-OE1 3.42Å; M285-V427 HydrophobicContact CE-CG2 4.05Å; M285-V427 HydrophobicContact SD-CG2 4.38Å; M285-A532 PolarHBondContact N-O 2.82Å; M285-C533 HydrophobicContact CG-CB 3.86Å; M285-C533 WeakPolarHBondContact CG-SG 3.27Å
286	L	79.4	Confident	85.4	Confident	17 Å²	17	44.7 Å²	44.7	9%	0.089	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-68.1	119.2	177.4	-161.1	61.5	0	0	0	111.5	H290 R291 V338 L341	L286-H290 HydrophobicContact CD1-CB 3.43Å; L286-H290 VanDerWaalsContact CD1-CB 3.43Å; L286-H290 HydrophobicContact CG-CB 3.84Å; L286-R291 HydrophobicContact CB-CG 3.91Å; L286-R291 HydrophobicContact CD2-CB 4.47Å; L286-R291 HydrophobicContact CD2-CG 3.57Å; L286-R291 HydrophobicContact CG-CG 3.63Å; L286-R291 PolarHBondContact O-NE 3.08Å; L286-V338 HydrophobicContact CD2-CG2 4.2Å; L286-L341 HydrophobicContact CD2-CD1 3.79Å
287	S	78.9	Confident	85.2	Confident	45 Å²	45	48.4 Å²	48.4	32%	0.315	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-62.8	153.6	177.5	72.2	0	0	0	0	111.6	M285 T289 H290 R291	M285-S287 PolarHBondContact O-N 2.76Å; S287-T289 PolarHBondContact O-N 2.97Å; S287-T289 PolarHBondContact OG-OG1 3.02Å; S287-H290 PolarHBondContact O-N 3.4Å; S287-H290 PolarHBondContact OG-N 2.94Å; S287-H290 PolarHBondContact OG-ND1 2.78Å; S287-R291 WeakPolarHBondContact O-CG 3.44Å; S287-R291 PolarHBondContact O-N 2.92Å
288	E	81.4	Confident	84.9	Confident	52 Å²	52	50.5 Å²	50.5	24%	0.243	26%	0.255	C	S	.	.	H	α-helix	trans	-52	-42.6	176.5	-176.2	-176.8	168.5	0	0	111.9	H290 R291 L292 L327 A330 R331	E288-H290 PolarHBondContact O-N 3.32Å; E288-R291 PolarHBondContact O-N 2.9Å; E288-L292 WeakPolarHBondContact O-CB 3.49Å; E288-L292 PolarHBondContact O-N 2.65Å; E288-L327 WeakPolarHBondContact OE1-CD1 3.49Å; E288-A330 HydrophobicContact CG-CB 4.24Å; E288-R331 WeakPolarHBondContact OE1-CG 3.49Å; E288-R331 IonicContact OE1-NE 3.88Å; E288-R331 PolarHBondContact OE1-NE 3.48Å
289	T	83.5	Confident	84.8	Confident	86 Å²	86	48 Å²	48	53%	0.528	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-37.9	177.8	51.7	0	0	0	0	113.4	S287 R293	S287-T289 PolarHBondContact O-N 2.97Å; S287-T289 PolarHBondContact OG-OG1 3.02Å; T289-R293 WeakPolarHBondContact O-CG 3.41Å; T289-R293 PolarHBondContact O-N 3.49Å
290	H	85.1	Confident	84.3	Confident	58 Å²	58	44.7 Å²	44.7	27%	0.269	23%	0.226	S	C	.	.	H	α-helix	trans	-74.8	-39.1	175.6	-73.7	102.5	0	0	0	111.4	L286 S287 E288 L292 R293 L294	L286-H290 HydrophobicContact CD1-CB 3.43Å; L286-H290 VanDerWaalsContact CD1-CB 3.43Å; L286-H290 HydrophobicContact CG-CB 3.84Å; S287-H290 PolarHBondContact O-N 3.4Å; S287-H290 PolarHBondContact OG-N 2.94Å; S287-H290 PolarHBondContact OG-ND1 2.78Å; E288-H290 PolarHBondContact O-N 3.32Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 PolarHBondContact O-N 2.81Å; H290-R293 PolarHBondContact O-N 3.03Å; H290-L294 WeakPolarHBondContact O-CB 3.35Å; H290-L294 PolarHBondContact O-N 3.45Å
291	R	88.3	Confident	83.4	Confident	3 Å²	3	43.3 Å²	43.3	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-45.8	173.6	-67.9	-170.3	-86.6	131.4	10.2	111.1	L286 S287 E288 L294 L295 A330 T333 P334 L341	L286-R291 HydrophobicContact CB-CG 3.91Å; L286-R291 HydrophobicContact CD2-CB 4.47Å; L286-R291 HydrophobicContact CD2-CG 3.57Å; L286-R291 HydrophobicContact CG-CG 3.63Å; L286-R291 PolarHBondContact O-NE 3.08Å; S287-R291 WeakPolarHBondContact O-CG 3.44Å; S287-R291 PolarHBondContact O-N 2.92Å; E288-R291 PolarHBondContact O-N 2.9Å; R291-L294 PolarHBondContact O-N 3.44Å; R291-L295 WeakPolarHBondContact O-CB 3.2Å; R291-L295 VanDerWaalsContact O-CG 3.3Å; R291-L295 WeakPolarHBondContact O-CG 3.42Å; R291-L295 PolarHBondContact O-N 3.28Å; R291-A330 HydrophobicContact CB-CB 4.34Å; R291-A330 PolarHBondContact NH1-O 3.33Å; R291-T333 PolarHBondContact NH1-O 3.2Å; R291-P334 VanDerWaalsContact NH1-CA 3.32Å; R291-L341 HydrophobicContact CB-CD1 4.14Å; R291-L341 HydrophobicContact CG-CD1 3.9Å
292	L	88.6	Confident	82.2	Confident	35 Å²	35	48.8 Å²	48.8	18%	0.183	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-50.1	175.2	176.8	146.8	0	0	0	111.9	E288 H290 L294 L295 Q296 L327 A330	E288-L292 WeakPolarHBondContact O-CB 3.49Å; E288-L292 PolarHBondContact O-N 2.65Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 PolarHBondContact O-N 2.81Å; L292-L294 VanDerWaalsContact C-N 3.29Å; L292-L294 PolarHBondContact O-N 3.34Å; L292-L295 PolarHBondContact O-N 3.28Å; L292-Q296 VanDerWaalsContact CD2-CD 3.46Å; L292-Q296 HydrophobicContact CD2-CG 4.33Å; L292-Q296 VanDerWaalsContact CD2-OE1 3.3Å; L292-Q296 WeakPolarHBondContact O-CB 3.42Å; L292-Q296 VanDerWaalsContact O-CG 3.31Å; L292-Q296 WeakPolarHBondContact O-CG 3.36Å; L292-Q296 PolarHBondContact O-N 3.35Å; L292-L327 HydrophobicContact CD1-CB 3.95Å; L292-L327 HydrophobicContact CD1-CD1 3.54Å; L292-L327 HydrophobicContact CD1-CG 4.36Å; L292-A330 HydrophobicContact CB-CB 4Å
293	R	87.6	Confident	80.7	Confident	156 Å²	156	48.9 Å²	48.9	59%	0.589	25%	0.253	S	S	*	.	H	α-helix	trans	-61.5	-37.9	178.7	-74.5	177.7	-174.9	162.2	1.5	112.7	T289 H290 Q297	T289-R293 WeakPolarHBondContact O-CG 3.41Å; T289-R293 PolarHBondContact O-N 3.49Å; H290-R293 PolarHBondContact O-N 3.03Å; R293-Q297 PolarHBondContact O-N 3.12Å
294	L	87.5	Confident	78.7	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-68.2	-43.5	177.1	-172.5	148.6	0	0	0	110.9	T135 H290 R291 L292 Q297 Y298 V338 L341	T135-L294 HydrophobicContact CG2-CD1 4.46Å; H290-L294 WeakPolarHBondContact O-CB 3.35Å; H290-L294 PolarHBondContact O-N 3.45Å; R291-L294 PolarHBondContact O-N 3.44Å; L292-L294 VanDerWaalsContact C-N 3.29Å; L292-L294 PolarHBondContact O-N 3.34Å; L294-Q297 VanDerWaalsContact O-CB 3.31Å; L294-Q297 WeakPolarHBondContact O-CB 3.45Å; L294-Q297 PolarHBondContact O-N 2.88Å; L294-Y298 HydrophobicContact CD2-CD2 4.24Å; L294-Y298 HydrophobicContact CD2-CE2 4Å; L294-Y298 HydrophobicContact CG-CE2 4.39Å; L294-Y298 VanDerWaalsContact O-CD2 3.24Å; L294-Y298 WeakPolarHBondContact O-CD2 3.28Å; L294-V338 HydrophobicContact CD1-CB 4.37Å; L294-V338 HydrophobicContact CD1-CG1 4Å; L294-V338 HydrophobicContact CD1-CG2 4.11Å; L294-L341 HydrophobicContact CD2-CB 3.73Å; L294-L341 HydrophobicContact CD2-CD1 3.92Å; L294-L341 HydrophobicContact CD2-CG 4.49Å
295	L	89.2	Confident	77.3	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-42.1	176.5	-72.8	171.4	0	0	0	111.9	R291 L292 Q297 Y298 L299 L329 A330 L341 V345	R291-L295 WeakPolarHBondContact O-CB 3.2Å; R291-L295 VanDerWaalsContact O-CG 3.3Å; R291-L295 WeakPolarHBondContact O-CG 3.42Å; R291-L295 PolarHBondContact O-N 3.28Å; L292-L295 PolarHBondContact O-N 3.28Å; L295-Q297 PolarHBondContact O-N 2.84Å; L295-Q297 VanDerWaalsContact O-N 3.12Å; L295-Y298 CarbonylContact O-C 3.48Å; L295-Y298 PolarHBondContact O-N 3.46Å; L295-L299 HydrophobicContact CB-CD1 4.29Å; L295-L299 HydrophobicContact CD2-CD1 4.09Å; L295-L299 WeakPolarHBondContact O-CB 3.39Å; L295-L299 PolarHBondContact O-N 3.33Å; L295-L329 HydrophobicContact CD1-CB 3.91Å; L295-A330 HydrophobicContact CD1-CB 4.22Å; L295-L341 HydrophobicContact CD2-CD2 4.43Å; L295-V345 HydrophobicContact CD2-CG2 4.26Å
296	Q	87.8	Confident	75.5	Confident	86 Å²	86	66.2 Å²	66.2	40%	0.402	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-19.6	176	-76	178.1	-27	0	0	113.9	L292 Y298 L299 Q317 C326	L292-Q296 VanDerWaalsContact CD2-CD 3.46Å; L292-Q296 HydrophobicContact CD2-CG 4.33Å; L292-Q296 VanDerWaalsContact CD2-OE1 3.3Å; L292-Q296 WeakPolarHBondContact O-CB 3.42Å; L292-Q296 VanDerWaalsContact O-CG 3.31Å; L292-Q296 WeakPolarHBondContact O-CG 3.36Å; L292-Q296 PolarHBondContact O-N 3.35Å; Q296-Y298 VanDerWaalsContact C-N 3.33Å; Q296-L299 CarbonylContact C-O 3.48Å; Q296-L299 WeakPolarHBondContact CA-O 3.45Å; Q296-Q317 PolarHBondContact O-NE2 3.25Å; Q296-C326 HydrophobicContact CG-CB 4.05Å
297	Q	82.6	Confident	73.3	Confident	81 Å²	81	68.6 Å²	68.6	38%	0.379	35%	0.349	S	S	.	.	H	α-helix	trans	-71.4	-31.8	172.7	-170.9	-179.4	-3.6	0	0	111.8	R293 L294 L295 Q317	R293-Q297 PolarHBondContact O-N 3.12Å; L294-Q297 VanDerWaalsContact O-CB 3.31Å; L294-Q297 WeakPolarHBondContact O-CB 3.45Å; L294-Q297 PolarHBondContact O-N 2.88Å; L295-Q297 PolarHBondContact O-N 2.84Å; L295-Q297 VanDerWaalsContact O-N 3.12Å; Q297-Q317 PolarHBondContact O-NE2 2.92Å
298	Y	84.2	Confident	71.3	Confident	57 Å²	57	72.9 Å²	72.9	22%	0.224	38%	0.375	C	S	.	.	H	α-helix	trans	-106.7	-21.1	-174.8	-61.9	-74.3	0	0	0	113.8	L294 L295 Q296 Q317 L318 I342 V345	L294-Y298 HydrophobicContact CD2-CD2 4.24Å; L294-Y298 HydrophobicContact CD2-CE2 4Å; L294-Y298 HydrophobicContact CG-CE2 4.39Å; L294-Y298 VanDerWaalsContact O-CD2 3.24Å; L294-Y298 WeakPolarHBondContact O-CD2 3.28Å; L295-Y298 CarbonylContact O-C 3.48Å; L295-Y298 PolarHBondContact O-N 3.46Å; Q296-Y298 VanDerWaalsContact C-N 3.33Å; Y298-Q317 CarbonylContact O-C 3.51Å; Y298-Q317 VanDerWaalsContact O-CA 3.27Å; Y298-Q317 WeakPolarHBondContact O-CA 3.4Å; Y298-L318 PolarHBondContact O-N 3.42Å; Y298-I342 HydrophobicContact CE2-CG1 4.44Å; Y298-V345 HydrophobicContact CD1-CG1 4.13Å; Y298-V345 HydrophobicContact CD2-CG2 4.21Å; Y298-V345 HydrophobicContact CG-CG1 3.94Å; Y298-V345 HydrophobicContact CG-CG2 4.17Å
299	L	85.1	Confident	68.8	Low	2 Å²	2	77.3 Å²	77.3	1%	0.01	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	137	-176.3	-52.9	179.6	0	0	0	109.2	L295 Q296 L318 L320 L329	L295-L299 HydrophobicContact CB-CD1 4.29Å; L295-L299 HydrophobicContact CD2-CD1 4.09Å; L295-L299 WeakPolarHBondContact O-CB 3.39Å; L295-L299 PolarHBondContact O-N 3.33Å; Q296-L299 CarbonylContact C-O 3.48Å; Q296-L299 WeakPolarHBondContact CA-O 3.45Å; L299-L318 WeakPolarHBondContact CA-O 3.44Å; L299-L318 HydrophobicContact CD2-CB 3.66Å; L299-L318 HydrophobicContact CD2-CD1 3.82Å; L299-L318 HydrophobicContact CD2-CG 4.26Å; L299-L320 HydrophobicContact CB-CD1 4.13Å; L299-L320 HydrophobicContact CB-CG 4.42Å; L299-L320 HydrophobicContact CD1-CD1 4.37Å; L299-L320 HydrophobicContact CD1-CD2 4.4Å; L299-L329 HydrophobicContact CD1-CD1 3.34Å
300	S	79.2	Confident	66.5	Low	18 Å²	18	78.4 Å²	78.4	13%	0.126	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.3	172.8	59.5	0	0	0	0	110.3	D302 L318 L320	S300-D302 VanDerWaalsContact C-N 3.27Å; S300-L318 PolarHBondContact N-O 3.43Å; S300-L318 PolarHBondContact OG-O 3.25Å; S300-L320 PolarHBondContact O-N 3.09Å
301	D	73	Confident	64.3	Low	62 Å²	62	81.3 Å²	81.3	33%	0.332	42%	0.424	S	S	.	.			trans	-79.1	-9.9	171.5	-69.7	-31.3	0	0	0	112.1	T303 L320 C326	D301-T303 PolarHBondContact O-N 3.19Å; D301-L320 VanDerWaalsContact OD1-CD1 3.23Å; D301-L320 WeakPolarHBondContact OD1-CD1 3.46Å; D301-C326 PolarHBondContact OD1-N 3.29Å; D301-C326 PolarHBondContact OD1-SG 2.92Å
302	D	63	Low	61.8	Low	125 Å²	125	86.5 Å²	86.5	67%	0.668	46%	0.456	S	S	*	.			trans	-67.2	105	-173.1	-69.2	-18.2	0	0	0	111.8	S300	S300-D302 VanDerWaalsContact C-N 3.27Å
303	T	53.2	Low	59.6	Low	66 Å²	66	90 Å²	90	41%	0.405	48%	0.484	S	S	.	.			trans	-98.8	36.8	169.7	59.7	0	0	0	0	111.6	D301 F305 E322	D301-T303 PolarHBondContact O-N 3.19Å; T303-F305 PolarHBondContact O-N 3.11Å; T303-E322 HydrophobicContact CG2-CG 4.45Å
304	D	43.9	Very low	57.6	Low	121 Å²	121	88 Å²	88	65%	0.647	49%	0.485	S	S	*	.			trans	-72.1	78.4	173.3	-88	-4	0	0	0	109.7	I306	D304-I306 PolarHBondContact O-N 3.18Å
305	F	45	Very low	55.8	Low	159 Å²	159	90.9 Å²	90.9	70%	0.697	51%	0.505	S	S	*	.			trans	-75.7	3.6	170.1	-89.8	-80.1	0	0	0	113.2	T303 S307	T303-F305 PolarHBondContact O-N 3.11Å; F305-S307 PolarHBondContact O-N 3.25Å
306	I	39.1	Very low	54.5	Low	159 Å²	159	100.8 Å²	100.8	82%	0.815	54%	0.542	S	S	*	.	S	Bend	trans	-103.3	73.5	178.5	-47.6	177.5	0	0	0	109.4	D304	D304-I306 PolarHBondContact O-N 3.18Å
307	S	33.4	Very low	53.7	Low	67 Å²	67	99.9 Å²	99.9	47%	0.469	54%	0.538	S	S	.	.	S	Bend	trans	133	128.2	159.5	62.6	0	0	0	0	110.9	F305 K309	F305-S307 PolarHBondContact O-N 3.25Å; S307-K309 PolarHBondContact O-N 3.4Å
308	P	36.1	Very low	53.4	Low	134 Å²	134	96.1 Å²	96.1	87%	0.87	52%	0.52	S	S	*	.			trans	-69.8	82.7	167.3	30.1	-31.2	0	0	0	107.5
309	K	30.2	Very low	53.3	Low	145 Å²	145	96.3 Å²	96.3	63%	0.63	52%	0.524	S	S	*	.			trans	-62.6	130	160.9	-73.6	176	-175.7	161.4	0	106.1	S307 V311	S307-K309 PolarHBondContact O-N 3.4Å; K309-V311 PolarHBondContact O-N 3.48Å
310	P	35.1	Very low	53.2	Low	109 Å²	109	96.6 Å²	96.6	71%	0.708	53%	0.525	S	S	*	.			trans	-56.9	132.6	177.8	24.4	-32.3	0	0	0	108	T312	P310-T312 VanDerWaalsContact C-N 3.34Å; P310-T312 PolarHBondContact O-N 2.97Å
311	V	38.4	Very low	53.3	Low	119 Å²	119	97.1 Å²	97.1	72%	0.721	53%	0.529	S	S	*	.			trans	-43.9	94.5	-178	-176.9	0	0	0	0	109.9	K309 S313	K309-V311 PolarHBondContact O-N 3.48Å; V311-S313 PolarHBondContact O-N 3.46Å
312	T	35.9	Very low	53.2	Low	112 Å²	112	101.7 Å²	101.7	69%	0.687	55%	0.548	S	S	*	.			trans	-74.8	94.3	176.6	45.5	0	0	0	0	107.2	P310 N314	P310-T312 VanDerWaalsContact C-N 3.34Å; P310-T312 PolarHBondContact O-N 2.97Å; T312-N314 PolarHBondContact O-N 3.11Å
313	S	42.9	Very low	53.8	Low	110 Å²	110	102.1 Å²	102.1	77%	0.769	55%	0.55	S	S	*	*	S	Bend	trans	42.6	-3.2	152	47.5	0	0	0	0	122.4	V311	V311-S313 PolarHBondContact O-N 3.46Å
314	N	44.8	Very low	55.2	Low	114 Å²	114	99.3 Å²	99.3	61%	0.61	53%	0.533	S	S	*	.			trans	-109.3	55.5	173.5	-83.1	-6	0	0	0	110.7	T312 R316 Q317	T312-N314 PolarHBondContact O-N 3.11Å; N314-R316 PolarHBondContact O-N 3.46Å; N314-Q317 PolarHBondContact O-N 3.25Å
315	S	50.4	Low	57.3	Low	62 Å²	62	96.7 Å²	96.7	43%	0.434	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	11.6	176.9	50	0	0	0	0	115.8
316	R	61.8	Low	59.2	Low	209 Å²	209	89.1 Å²	89.1	79%	0.789	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-7.5	-175.9	-67	-172.9	178.1	-171.8	0.2	114.5	N314 K349	N314-R316 PolarHBondContact O-N 3.46Å; R316-K349 PolarHBondContact O-NZ 3.06Å
317	Q	69.4	Low	61.5	Low	66 Å²	66	84.8 Å²	84.8	31%	0.308	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-85.7	140.9	-178.9	-68.3	-174.6	-25.9	0	0	111.3	Q296 Q297 Y298 N314	Q296-Q317 PolarHBondContact O-NE2 3.25Å; Q297-Q317 PolarHBondContact O-NE2 2.92Å; Y298-Q317 CarbonylContact O-C 3.51Å; Y298-Q317 VanDerWaalsContact O-CA 3.27Å; Y298-Q317 WeakPolarHBondContact O-CA 3.4Å; N314-Q317 PolarHBondContact O-N 3.25Å
318	L	78.2	Confident	63.9	Low	2 Å²	2	83.8 Å²	83.8	1%	0.01	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	138.5	170.7	-66.6	172.8	0	0	0	109	Y298 L299 S300 L348 K349 L409 V411	Y298-L318 PolarHBondContact O-N 3.42Å; L299-L318 WeakPolarHBondContact CA-O 3.44Å; L299-L318 HydrophobicContact CD2-CB 3.66Å; L299-L318 HydrophobicContact CD2-CD1 3.82Å; L299-L318 HydrophobicContact CD2-CG 4.26Å; S300-L318 PolarHBondContact N-O 3.43Å; S300-L318 PolarHBondContact OG-O 3.25Å; L318-L348 HydrophobicContact CD1-CB 3.83Å; L318-K349 HydrophobicContact CD1-CG 3.68Å; L318-K349 HydrophobicContact CD2-CG 3.83Å; L318-K349 HydrophobicContact CG-CG 3.91Å; L318-L409 HydrophobicContact CD2-CB 3.38Å; L318-L409 HydrophobicContact CD2-CD1 3.71Å; L318-L409 HydrophobicContact CD2-CG 4.2Å; L318-V411 HydrophobicContact CB-CG2 3.92Å; L318-V411 HydrophobicContact CD1-CG2 3.84Å; L318-V411 HydrophobicContact CD2-CG2 4.44Å; L318-V411 HydrophobicContact CG-CG2 4.31Å
319	Q	82	Confident	66.3	Low	62 Å²	62	77.5 Å²	77.5	29%	0.29	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.1	173.9	-71.7	-174.8	-20.7	0	0	110.1	P408 L409 I410 V411	Q319-P408 VanDerWaalsContact CD-CB 3.49Å; Q319-P408 HydrophobicContact CG-CB 4.16Å; Q319-L409 PolarHBondContact N-O 3.3Å; Q319-I410 CarbonylContact O-C 3.45Å; Q319-I410 VanDerWaalsContact O-CA 3.32Å; Q319-I410 WeakPolarHBondContact O-CA 3.27Å; Q319-V411 PolarHBondContact O-N 3.24Å
320	L	82.2	Confident	69	Low	8 Å²	8	70.6 Å²	70.6	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	147.2	174.1	-69.1	165.4	0	0	0	110.7	L299 S300 D301 L324 C326 L329 V411	L299-L320 HydrophobicContact CB-CD1 4.13Å; L299-L320 HydrophobicContact CB-CG 4.42Å; L299-L320 HydrophobicContact CD1-CD1 4.37Å; L299-L320 HydrophobicContact CD1-CD2 4.4Å; S300-L320 PolarHBondContact O-N 3.09Å; D301-L320 VanDerWaalsContact OD1-CD1 3.23Å; D301-L320 WeakPolarHBondContact OD1-CD1 3.46Å; L320-L324 HydrophobicContact CB-CB 4.39Å; L320-L324 HydrophobicContact CD2-CB 4.37Å; L320-L324 HydrophobicContact CD2-CD1 4.5Å; L320-C326 VanDerWaalsContact CD1-SG 3.55Å; L320-L329 HydrophobicContact CD1-CD1 4.32Å; L320-L329 HydrophobicContact CD2-CD1 3.78Å; L320-V411 HydrophobicContact CD2-CB 4.06Å; L320-V411 HydrophobicContact CD2-CG1 4.14Å
321	S	80.5	Confident	71.3	Confident	29 Å²	29	72.5 Å²	72.5	20%	0.203	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-68.2	156.7	172.8	64.7	0	0	0	0	112.1	N323 L324 V411	S321-N323 PolarHBondContact O-N 3.4Å; S321-L324 PolarHBondContact O-N 2.96Å; S321-V411 PolarHBondContact N-O 3.47Å; S321-V411 VanDerWaalsContact N-O 3.09Å; S321-V411 PolarHBondContact OG-O 3.36Å
322	E	71.8	Confident	73.4	Confident	157 Å²	157	70.8 Å²	70.8	73%	0.734	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-27.8	-175.1	-61.7	-178.4	171.2	0	0	116	T303	T303-E322 HydrophobicContact CG2-CG 4.45Å
323	N	75.9	Confident	75.7	Confident	134 Å²	134	65.5 Å²	65.5	72%	0.717	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	4.8	-177.8	-65.5	-30.2	0	0	0	114.3	S321	S321-N323 PolarHBondContact O-N 3.4Å
324	L	82.6	Confident	77.2	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.037	30%	0.296	C	S	.	.			trans	-120.4	134.1	-177.8	-73.4	178.1	0	0	0	110.7	L320 S321 R413 V416	L320-L324 HydrophobicContact CB-CB 4.39Å; L320-L324 HydrophobicContact CD2-CB 4.37Å; L320-L324 HydrophobicContact CD2-CD1 4.5Å; S321-L324 PolarHBondContact O-N 2.96Å; L324-R413 HydrophobicContact CD1-CB 4.27Å; L324-R413 HydrophobicContact CD2-CB 4.13Å; L324-R413 HydrophobicContact CD2-CG 4.15Å; L324-R413 HydrophobicContact CG-CB 4.37Å; L324-V416 HydrophobicContact CD1-CG2 4.04Å
325	T	87	Confident	78.7	Confident	67 Å²	67	56.5 Å²	56.5	41%	0.411	27%	0.272	S	S	.	.			trans	-118	151.6	175.1	60	0	0	0	0	111	L327 E328 L329	T325-L327 PolarHBondContact O-N 2.99Å; T325-E328 WeakPolarHBondContact O-CB 3.39Å; T325-E328 PolarHBondContact O-N 3.3Å; T325-E328 WeakPolarHBondContact OG1-CB 3.36Å; T325-E328 PolarHBondContact OG1-N 2.85Å; T325-E328 VanDerWaalsContact OG1-N 3.1Å; T325-L329 PolarHBondContact O-N 3.21Å; T325-L329 VanDerWaalsContact O-N 3.16Å
326	C	86.4	Confident	80.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.5	-32.8	169.3	-75.2	0	0	0	0	112.2	Q296 D301 L320 L329 A330	Q296-C326 HydrophobicContact CG-CB 4.05Å; D301-C326 PolarHBondContact OD1-N 3.29Å; D301-C326 PolarHBondContact OD1-SG 2.92Å; L320-C326 VanDerWaalsContact CD1-SG 3.55Å; C326-L329 PolarHBondContact O-N 3.25Å; C326-A330 WeakPolarHBondContact O-CB 3.35Å; C326-A330 PolarHBondContact O-N 3.25Å
327	L	85.6	Confident	81.5	Confident	67 Å²	67	44.4 Å²	44.4	35%	0.351	22%	0.217	S	C	.	.	H	α-helix	trans	-64.8	-42.5	175.4	-177.3	67.1	0	0	0	112	E288 L292 T325 A330 R331	E288-L327 WeakPolarHBondContact OE1-CD1 3.49Å; L292-L327 HydrophobicContact CD1-CB 3.95Å; L292-L327 HydrophobicContact CD1-CD1 3.54Å; L292-L327 HydrophobicContact CD1-CG 4.36Å; T325-L327 PolarHBondContact O-N 2.99Å; L327-A330 PolarHBondContact O-N 3.16Å; L327-R331 WeakPolarHBondContact O-CG 3.46Å; L327-R331 PolarHBondContact O-N 2.9Å
328	E	84.2	Confident	82.4	Confident	46 Å²	46	41.8 Å²	41.8	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-44.3	175	-173.7	-179.6	175	0	0	111.2	T325 A330 R331 R332 R413	T325-E328 WeakPolarHBondContact O-CB 3.39Å; T325-E328 PolarHBondContact O-N 3.3Å; T325-E328 WeakPolarHBondContact OG1-CB 3.36Å; T325-E328 PolarHBondContact OG1-N 2.85Å; T325-E328 VanDerWaalsContact OG1-N 3.1Å; E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 2.88Å; E328-R331 WeakPolarHBondContact O-CB 3.45Å; E328-R331 PolarHBondContact O-N 3.44Å; E328-R331 VanDerWaalsContact O-N 3.1Å; E328-R332 HydrophobicContact CG-CG 4.44Å; E328-R332 VanDerWaalsContact O-CG 3.32Å; E328-R332 WeakPolarHBondContact O-CG 3.47Å; E328-R332 PolarHBondContact O-N 3Å; E328-R413 IonicContact OE1-CZ 3.62Å; E328-R413 IonicContact OE1-NH2 3.44Å; E328-R413 PolarHBondContact OE1-NH2 3.41Å
329	L	87.8	Confident	82.8	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-40.7	175.7	-70.5	175.9	0	0	0	112.5	L295 L299 L320 T325 C326 R331 R332 T333 V416	L295-L329 HydrophobicContact CD1-CB 3.91Å; L299-L329 HydrophobicContact CD1-CD1 3.34Å; L320-L329 HydrophobicContact CD1-CD1 4.32Å; L320-L329 HydrophobicContact CD2-CD1 3.78Å; T325-L329 PolarHBondContact O-N 3.21Å; T325-L329 VanDerWaalsContact O-N 3.16Å; C326-L329 PolarHBondContact O-N 3.25Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 3.28Å; L329-R332 PolarHBondContact O-N 3.07Å; L329-T333 WeakPolarHBondContact O-CB 3.48Å; L329-T333 WeakPolarHBondContact O-CG2 3.49Å; L329-T333 PolarHBondContact O-N 2.77Å; L329-T333 PolarHBondContact O-OG1 2.95Å; L329-V416 HydrophobicContact CD2-CB 4.31Å; L329-V416 HydrophobicContact CD2-CG1 3.4Å; L329-V416 VanDerWaalsContact CD2-CG1 3.4Å; L329-V416 HydrophobicContact CD2-CG2 3.88Å
330	A	86.9	Confident	83.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-37.6	173.5	0	0	0	0	0	111.3	E288 R291 L292 L295 C326 L327 E328 T333	E288-A330 HydrophobicContact CG-CB 4.24Å; R291-A330 HydrophobicContact CB-CB 4.34Å; R291-A330 PolarHBondContact NH1-O 3.33Å; L292-A330 HydrophobicContact CB-CB 4Å; L295-A330 HydrophobicContact CD1-CB 4.22Å; C326-A330 WeakPolarHBondContact O-CB 3.35Å; C326-A330 PolarHBondContact O-N 3.25Å; L327-A330 PolarHBondContact O-N 3.16Å; E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 2.88Å; A330-T333 PolarHBondContact O-OG1 3.45Å
331	R	82.8	Confident	83.6	Confident	149 Å²	149	39.8 Å²	39.8	56%	0.562	20%	0.202	S	C	*	.	H	α-helix	trans	-68.6	-37.1	174.9	-73.8	178.5	176.5	-176.5	-2.3	113.1	E288 L327 E328 L329 T333	E288-R331 WeakPolarHBondContact OE1-CG 3.49Å; E288-R331 IonicContact OE1-NE 3.88Å; E288-R331 PolarHBondContact OE1-NE 3.48Å; L327-R331 WeakPolarHBondContact O-CG 3.46Å; L327-R331 PolarHBondContact O-N 2.9Å; E328-R331 WeakPolarHBondContact O-CB 3.45Å; E328-R331 PolarHBondContact O-N 3.44Å; E328-R331 VanDerWaalsContact O-N 3.1Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 3.28Å; R331-T333 VanDerWaalsContact C-N 3.3Å; R331-T333 PolarHBondContact O-N 3.41Å
332	R	82.4	Confident	84	Confident	83 Å²	83	41.7 Å²	41.7	31%	0.313	21%	0.209	S	C	.	.	H	α-helix	trans	-79	-5.5	-178.6	-68.3	-173.5	70	-173.8	0.6	115.2	E328 L329 P334 D417 L420	E328-R332 HydrophobicContact CG-CG 4.44Å; E328-R332 VanDerWaalsContact O-CG 3.32Å; E328-R332 WeakPolarHBondContact O-CG 3.47Å; E328-R332 PolarHBondContact O-N 3Å; L329-R332 PolarHBondContact O-N 3.07Å; R332-P334 VanDerWaalsContact O-CD 3.25Å; R332-P334 WeakPolarHBondContact O-CD 3.34Å; R332-D417 IonicContact CZ-OD1 2.7Å; R332-D417 IonicContact NH1-OD1 3.32Å; R332-D417 PolarHBondContact NH1-OD1 2.96Å; R332-D417 IonicContact NH2-OD1 3.28Å; R332-D417 PolarHBondContact NH2-OD1 3.32Å; R332-L420 HydrophobicContact CB-CD1 4.25Å
333	T	83.9	Confident	84.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.			trans	-114.1	44.6	-178.2	51.3	0	0	0	0	113.4	R291 L329 A330 R331 G335 Y336 L341 L344 L420	R291-T333 PolarHBondContact NH1-O 3.2Å; L329-T333 WeakPolarHBondContact O-CB 3.48Å; L329-T333 WeakPolarHBondContact O-CG2 3.49Å; L329-T333 PolarHBondContact O-N 2.77Å; L329-T333 PolarHBondContact O-OG1 2.95Å; A330-T333 PolarHBondContact O-OG1 3.45Å; R331-T333 VanDerWaalsContact C-N 3.3Å; R331-T333 PolarHBondContact O-N 3.41Å; T333-G335 PolarHBondContact O-N 2.83Å; T333-Y336 HydrophobicContact CG2-CD1 4.34Å; T333-Y336 HydrophobicContact CG2-CD2 4.18Å; T333-Y336 HydrophobicContact CG2-CE1 4.31Å; T333-Y336 HydrophobicContact CG2-CE2 4.13Å; T333-Y336 HydrophobicContact CG2-CG 4.26Å; T333-Y336 WeakPolarHBondContact O-CB 3.47Å; T333-Y336 WeakPolarHBondContact O-CD2 3.19Å; T333-Y336 PolarHBondContact O-N 3.35Å; T333-L341 HydrophobicContact CG2-CD2 4.27Å; T333-L344 HydrophobicContact CG2-CD2 3.57Å; T333-L420 HydrophobicContact CG2-CD2 3.8Å
334	P	75.5	Confident	85.7	Confident	26 Å²	26	35.7 Å²	35.7	17%	0.169	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	137.7	-179.4	30.4	-34.4	0	0	0	110.3	R291 R332 Y336 I436	R291-P334 VanDerWaalsContact NH1-CA 3.32Å; R332-P334 VanDerWaalsContact O-CD 3.25Å; R332-P334 WeakPolarHBondContact O-CD 3.34Å; P334-Y336 PolarHBondContact O-N 2.96Å; P334-I436 HydrophobicContact CB-CB 4.3Å; P334-I436 HydrophobicContact CB-CD1 4.1Å; P334-I436 HydrophobicContact CB-CG1 3.92Å
335	G	75.9	Confident	86.1	Confident	10 Å²	10	35.6 Å²	35.6	10%	0.103	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	3.7	179.8	0	0	0	0	0	116.2	M285 T333 E337	M285-G335 WeakPolarHBondContact CE-O 3.32Å; T333-G335 PolarHBondContact O-N 2.83Å; G335-E337 PolarHBondContact O-N 3.36Å
336	Y	84.4	Confident	86.2	Confident	13 Å²	13	34.5 Å²	34.5	5%	0.051	17%	0.168	C	C	.	.			trans	-72.6	127.4	171.2	-77	-119.5	0	0	0	109.9	T333 P334 D340 L341 L344 L420 V423 P425	T333-Y336 HydrophobicContact CG2-CD1 4.34Å; T333-Y336 HydrophobicContact CG2-CD2 4.18Å; T333-Y336 HydrophobicContact CG2-CE1 4.31Å; T333-Y336 HydrophobicContact CG2-CE2 4.13Å; T333-Y336 HydrophobicContact CG2-CG 4.26Å; T333-Y336 WeakPolarHBondContact O-CB 3.47Å; T333-Y336 WeakPolarHBondContact O-CD2 3.19Å; T333-Y336 PolarHBondContact O-N 3.35Å; P334-Y336 PolarHBondContact O-N 2.96Å; Y336-D340 HydrophobicContact CD1-CB 3.64Å; Y336-D340 HydrophobicContact CE1-CB 4.5Å; Y336-D340 HydrophobicContact CG-CB 4.19Å; Y336-L341 HydrophobicContact CD1-CD2 4.15Å; Y336-L341 HydrophobicContact CG-CD2 4.19Å; Y336-L344 HydrophobicContact CE1-CD2 4.43Å; Y336-L420 WeakPolarHBondContact OH-CD2 3.38Å; Y336-V423 HydrophobicContact CE1-CG1 4.01Å; Y336-V423 PolarHBondContact OH-O 3.06Å; Y336-P425 HydrophobicContact CD2-CB 3.84Å; Y336-P425 HydrophobicContact CD2-CG 4.03Å; Y336-P425 HydrophobicContact CE2-CB 4.1Å; Y336-P425 HydrophobicContact CE2-CG 3.86Å; Y336-P425 HydrophobicContact CG-CB 4.12Å
337	E	85.8	Confident	86.4	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.019	18%	0.18	C	C	.	.			trans	-86.1	172.2	171.1	-68.5	-58.3	144.2	0	0	111.4	P169 C172 M285 G335 G339 D340 L341	P169-E337 HydrophobicContact CB-CG 3.95Å; P169-E337 VanDerWaalsContact CG-CD 3.47Å; P169-E337 HydrophobicContact CG-CG 3.61Å; P169-E337 WeakPolarHBondContact CG-OE1 3.45Å; C172-E337 HydrophobicContact CB-CB 4.37Å; C172-E337 HydrophobicContact CB-CG 4.25Å; C172-E337 WeakPolarHBondContact CB-OE2 3.11Å; M285-E337 WeakPolarHBondContact CA-OE1 3.47Å; M285-E337 WeakPolarHBondContact CE-OE1 3.03Å; M285-E337 VanDerWaalsContact SD-OE1 3.42Å; G335-E337 PolarHBondContact O-N 3.36Å; E337-G339 VanDerWaalsContact C-N 3.32Å; E337-G339 PolarHBondContact O-N 3.37Å; E337-D340 PolarHBondContact N-OD2 3.05Å; E337-D340 WeakPolarHBondContact O-CB 3.37Å; E337-D340 PolarHBondContact O-N 3.5Å; E337-L341 PolarHBondContact O-N 2.87Å
338	V	88.1	Confident	86.6	Confident	10 Å²	10	34 Å²	34	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-48.2	-51	-179.2	172.9	0	0	0	0	112.3	T135 L286 L294 D340 L341 I342	T135-V338 HydrophobicContact CG2-CG1 3.76Å; T135-V338 VanDerWaalsContact O-CG2 3.31Å; T135-V338 WeakPolarHBondContact O-CG2 3.47Å; L286-V338 HydrophobicContact CD2-CG2 4.2Å; L294-V338 HydrophobicContact CD1-CB 4.37Å; L294-V338 HydrophobicContact CD1-CG1 4Å; L294-V338 HydrophobicContact CD1-CG2 4.11Å; V338-D340 VanDerWaalsContact C-N 3.33Å; V338-D340 PolarHBondContact O-N 3.27Å; V338-L341 PolarHBondContact O-N 3.22Å; V338-I342 HydrophobicContact CG1-CD1 3.85Å; V338-I342 VanDerWaalsContact O-CG1 3.32Å; V338-I342 WeakPolarHBondContact O-CG1 3.32Å; V338-I342 PolarHBondContact O-N 2.76Å
339	G	87.6	Confident	86.8	Confident	23 Å²	23	34.8 Å²	34.8	24%	0.237	17%	0.166	C	C	.	.	H	α-helix	trans	-67.1	-32.4	-179.8	0	0	0	0	0	113.8	F171 E337 R343	F171-G339 PolarHBondContact O-N 3.42Å; E337-G339 VanDerWaalsContact C-N 3.32Å; E337-G339 PolarHBondContact O-N 3.37Å; G339-R343 WeakPolarHBondContact O-CB 3.39Å; G339-R343 PolarHBondContact O-N 3.4Å
340	D	89.5	Confident	86.7	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-39.6	176	-61.9	-33.7	0	0	0	110.7	Y336 E337 V338 R343 L344 P425 A426	Y336-D340 HydrophobicContact CD1-CB 3.64Å; Y336-D340 HydrophobicContact CE1-CB 4.5Å; Y336-D340 HydrophobicContact CG-CB 4.19Å; E337-D340 PolarHBondContact N-OD2 3.05Å; E337-D340 WeakPolarHBondContact O-CB 3.37Å; E337-D340 PolarHBondContact O-N 3.5Å; V338-D340 VanDerWaalsContact C-N 3.33Å; V338-D340 PolarHBondContact O-N 3.27Å; D340-R343 WeakPolarHBondContact O-CB 3.49Å; D340-R343 PolarHBondContact O-N 3.15Å; D340-L344 WeakPolarHBondContact O-CB 3.31Å; D340-L344 PolarHBondContact O-N 2.87Å; D340-P425 WeakPolarHBondContact OD2-CA 3.45Å; D340-A426 PolarHBondContact OD2-N 3.5Å
341	L	90.9	Very high	86.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.4	-41.3	175.6	-66.9	175.5	0	0	0	112.2	L286 R291 L294 L295 T333 Y336 E337 V338 R343 L344 V345	L286-L341 HydrophobicContact CD2-CD1 3.79Å; R291-L341 HydrophobicContact CB-CD1 4.14Å; R291-L341 HydrophobicContact CG-CD1 3.9Å; L294-L341 HydrophobicContact CD2-CB 3.73Å; L294-L341 HydrophobicContact CD2-CD1 3.92Å; L294-L341 HydrophobicContact CD2-CG 4.49Å; L295-L341 HydrophobicContact CD2-CD2 4.43Å; T333-L341 HydrophobicContact CG2-CD2 4.27Å; Y336-L341 HydrophobicContact CD1-CD2 4.15Å; Y336-L341 HydrophobicContact CG-CD2 4.19Å; E337-L341 PolarHBondContact O-N 2.87Å; V338-L341 PolarHBondContact O-N 3.22Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 2.77Å; L341-L344 WeakPolarHBondContact O-CB 3.4Å; L341-L344 PolarHBondContact O-N 2.96Å; L341-V345 WeakPolarHBondContact O-CG2 3.42Å; L341-V345 PolarHBondContact O-N 3.33Å
342	I	89.9	Confident	86.8	Confident	70 Å²	70	34.6 Å²	34.6	36%	0.359	18%	0.178	S	C	.	.	H	α-helix	trans	-62.5	-40.8	174.7	-67.5	167	0	0	0	110.1	Y298 V338 V345 A346	Y298-I342 HydrophobicContact CE2-CG1 4.44Å; V338-I342 HydrophobicContact CG1-CD1 3.85Å; V338-I342 VanDerWaalsContact O-CG1 3.32Å; V338-I342 WeakPolarHBondContact O-CG1 3.32Å; V338-I342 PolarHBondContact O-N 2.76Å; I342-V345 PolarHBondContact O-N 3.19Å; I342-A346 WeakPolarHBondContact O-CB 3.45Å; I342-A346 PolarHBondContact O-N 3.45Å
343	R	90.7	Very high	86.9	Confident	160 Å²	160	35.1 Å²	35.1	60%	0.604	19%	0.187	S	C	*	.	H	α-helix	trans	-64.1	-39.6	174.2	-175	176.5	-177.3	155.3	2.4	112	G339 D340 L341 A346 Q347 V423	G339-R343 WeakPolarHBondContact O-CB 3.39Å; G339-R343 PolarHBondContact O-N 3.4Å; D340-R343 WeakPolarHBondContact O-CB 3.49Å; D340-R343 PolarHBondContact O-N 3.15Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 2.77Å; R343-A346 PolarHBondContact O-N 3Å; R343-Q347 WeakPolarHBondContact O-CB 2.99Å; R343-Q347 PolarHBondContact O-N 3.28Å; R343-V423 HydrophobicContact CB-CG1 4.3Å; R343-V423 HydrophobicContact CG-CG1 4.12Å; R343-V423 HydrophobicContact CG-CG2 4.24Å
344	L	91.7	Very high	86.9	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-48	174.1	-178	65.9	0	0	0	111	T333 Y336 D340 L341 A346 Q347 L348 A419 L420 V423	T333-L344 HydrophobicContact CG2-CD2 3.57Å; Y336-L344 HydrophobicContact CE1-CD2 4.43Å; D340-L344 WeakPolarHBondContact O-CB 3.31Å; D340-L344 PolarHBondContact O-N 2.87Å; L341-L344 WeakPolarHBondContact O-CB 3.4Å; L341-L344 PolarHBondContact O-N 2.96Å; L344-A346 VanDerWaalsContact C-N 3.31Å; L344-A346 PolarHBondContact O-N 3.25Å; L344-Q347 WeakPolarHBondContact O-CB 3.41Å; L344-Q347 PolarHBondContact O-N 3.29Å; L344-Q347 VanDerWaalsContact O-N 3.16Å; L344-L348 HydrophobicContact CG-CD1 4.46Å; L344-L348 WeakPolarHBondContact O-CG 3.48Å; L344-L348 PolarHBondContact O-N 3.16Å; L344-A419 HydrophobicContact CD1-CB 4Å; L344-L420 HydrophobicContact CD1-CD2 4.06Å; L344-L420 HydrophobicContact CD2-CD2 4.11Å; L344-V423 HydrophobicContact CB-CG1 4.24Å; L344-V423 HydrophobicContact CD1-CB 4.16Å; L344-V423 HydrophobicContact CD1-CG2 4.36Å
345	V	90.7	Very high	87	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-43.1	175.5	170.2	0	0	0	0	111	L295 Y298 L341 I342 Q347 L348 K349	L295-V345 HydrophobicContact CD2-CG2 4.26Å; Y298-V345 HydrophobicContact CD1-CG1 4.13Å; Y298-V345 HydrophobicContact CD2-CG2 4.21Å; Y298-V345 HydrophobicContact CG-CG1 3.94Å; Y298-V345 HydrophobicContact CG-CG2 4.17Å; L341-V345 WeakPolarHBondContact O-CG2 3.42Å; L341-V345 PolarHBondContact O-N 3.33Å; I342-V345 PolarHBondContact O-N 3.19Å; V345-Q347 VanDerWaalsContact C-N 3.35Å; V345-Q347 PolarHBondContact O-N 3.01Å; V345-L348 PolarHBondContact O-N 3.13Å; V345-K349 WeakPolarHBondContact O-CG 3.47Å; V345-K349 PolarHBondContact O-N 3.1Å
346	A	89.8	Confident	86.8	Confident	45 Å²	45	43.5 Å²	43.5	37%	0.372	23%	0.231	S	C	.	.	H	α-helix	trans	-61.5	-42.8	175.7	0	0	0	0	0	111.8	I342 R343 L344 K349 M350	I342-A346 WeakPolarHBondContact O-CB 3.45Å; I342-A346 PolarHBondContact O-N 3.45Å; R343-A346 PolarHBondContact O-N 3Å; L344-A346 VanDerWaalsContact C-N 3.31Å; L344-A346 PolarHBondContact O-N 3.25Å; A346-K349 WeakPolarHBondContact O-CB 3.27Å; A346-K349 PolarHBondContact O-N 2.99Å; A346-M350 WeakPolarHBondContact O-CG 3.02Å; A346-M350 PolarHBondContact O-N 3.1Å
347	Q	90.6	Very high	86.4	Confident	55 Å²	55	48 Å²	48	26%	0.257	26%	0.256	S	S	.	.	H	α-helix	trans	-64.1	-40.7	176.6	-172.1	64.7	14	0	0	112.1	R343 L344 V345 K349 M350 A351 A419 V423	R343-Q347 WeakPolarHBondContact O-CB 2.99Å; R343-Q347 PolarHBondContact O-N 3.28Å; L344-Q347 WeakPolarHBondContact O-CB 3.41Å; L344-Q347 PolarHBondContact O-N 3.29Å; L344-Q347 VanDerWaalsContact O-N 3.16Å; V345-Q347 VanDerWaalsContact C-N 3.35Å; V345-Q347 PolarHBondContact O-N 3.01Å; Q347-K349 VanDerWaalsContact C-N 3.35Å; Q347-M350 PolarHBondContact O-N 3.36Å; Q347-A351 WeakPolarHBondContact O-CB 3.34Å; Q347-A351 PolarHBondContact O-N 3.49Å; Q347-A419 HydrophobicContact CG-CB 3.99Å; Q347-V423 HydrophobicContact CB-CG2 3.74Å; Q347-V423 HydrophobicContact CG-CG2 3.99Å
348	L	90.3	Very high	85.7	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-43.9	174.2	-69	173.8	0	0	0	111	L318 L344 V345 A351 C352 V411 I415 V416 A419	L318-L348 HydrophobicContact CD1-CB 3.83Å; L344-L348 HydrophobicContact CG-CD1 4.46Å; L344-L348 WeakPolarHBondContact O-CG 3.48Å; L344-L348 PolarHBondContact O-N 3.16Å; V345-L348 PolarHBondContact O-N 3.13Å; L348-A351 PolarHBondContact O-N 3.44Å; L348-C352 WeakPolarHBondContact O-CB 3.5Å; L348-C352 PolarHBondContact O-N 3.26Å; L348-C352 PolarHBondContact O-SG 2.93Å; L348-V411 HydrophobicContact CD2-CG1 3.99Å; L348-I415 HydrophobicContact CD2-CG2 3.95Å; L348-V416 HydrophobicContact CD2-CG2 4.12Å; L348-A419 HydrophobicContact CD2-CB 3.67Å; L348-A419 HydrophobicContact CG-CB 4.31Å
349	K	87.3	Confident	84.5	Confident	62 Å²	62	56 Å²	56	27%	0.27	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-49.1	174.7	-72.1	-176.5	174.9	-170.4	0	111.6	R316 L318 V345 A346 Q347 A351 C352 L353	R316-K349 PolarHBondContact O-NZ 3.06Å; L318-K349 HydrophobicContact CD1-CG 3.68Å; L318-K349 HydrophobicContact CD2-CG 3.83Å; L318-K349 HydrophobicContact CG-CG 3.91Å; V345-K349 WeakPolarHBondContact O-CG 3.47Å; V345-K349 PolarHBondContact O-N 3.1Å; A346-K349 WeakPolarHBondContact O-CB 3.27Å; A346-K349 PolarHBondContact O-N 2.99Å; Q347-K349 VanDerWaalsContact C-N 3.35Å; K349-A351 PolarHBondContact O-N 3.06Å; K349-C352 PolarHBondContact O-N 3.16Å; K349-L353 WeakPolarHBondContact O-CG 3.45Å; K349-L353 PolarHBondContact O-N 2.95Å
350	M	86	Confident	83.1	Confident	117 Å²	117	58.8 Å²	58.8	58%	0.576	31%	0.31	S	S	*	.	H	α-helix	trans	-62.6	-42.7	179.6	-69.5	-179.1	74.8	0	0	112.2	A346 Q347 L353 T354	A346-M350 WeakPolarHBondContact O-CG 3.02Å; A346-M350 PolarHBondContact O-N 3.1Å; Q347-M350 PolarHBondContact O-N 3.36Å; M350-L353 PolarHBondContact O-N 2.72Å; M350-T354 WeakPolarHBondContact O-CB 3.4Å; M350-T354 PolarHBondContact O-N 3.21Å; M350-T354 PolarHBondContact O-OG1 3.26Å
351	A	86.8	Confident	81.3	Confident	27 Å²	27	63.3 Å²	63.3	22%	0.223	34%	0.335	C	S	.	.	H	α-helix	trans	-66.1	-40.4	179	0	0	0	0	0	112.3	Q347 L348 K349 T354 S355 I415	Q347-A351 WeakPolarHBondContact O-CB 3.34Å; Q347-A351 PolarHBondContact O-N 3.49Å; L348-A351 PolarHBondContact O-N 3.44Å; K349-A351 PolarHBondContact O-N 3.06Å; A351-T354 PolarHBondContact O-N 3.45Å; A351-S355 PolarHBondContact O-N 3.33Å; A351-I415 HydrophobicContact CB-CG2 3.7Å
352	C	85.2	Confident	79.4	Confident	4 Å²	4	68.7 Å²	68.7	3%	0.027	36%	0.363	C	S	.	.	H	α-helix	trans	-64.9	-39.7	175.4	-65.3	0	0	0	0	112.1	L348 K349 K356 L409	L348-C352 WeakPolarHBondContact O-CB 3.5Å; L348-C352 PolarHBondContact O-N 3.26Å; L348-C352 PolarHBondContact O-SG 2.93Å; K349-C352 PolarHBondContact O-N 3.16Å; C352-K356 PolarHBondContact O-N 2.89Å; C352-L409 HydrophobicContact CB-CB 4.21Å; C352-L409 HydrophobicContact CB-CD2 3.85Å; C352-L409 HydrophobicContact CB-CG 4.48Å
353	L	84.3	Confident	77.4	Confident	94 Å²	94	71.2 Å²	71.2	49%	0.492	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-40	175.6	-71.7	170.1	0	0	0	111.8	K349 M350 K356 L357 L409	K349-L353 WeakPolarHBondContact O-CG 3.45Å; K349-L353 PolarHBondContact O-N 2.95Å; M350-L353 PolarHBondContact O-N 2.72Å; L353-K356 PolarHBondContact O-N 3.37Å; L353-L357 WeakPolarHBondContact O-CG 3.3Å; L353-L357 PolarHBondContact O-N 3.34Å; L353-L409 HydrophobicContact CD2-CD1 4.37Å; L353-L409 HydrophobicContact CD2-CD2 4.01Å; L353-L409 HydrophobicContact CG-CD1 4.45Å; L353-L409 HydrophobicContact CG-CD2 4.38Å
354	T	83.1	Confident	75.1	Confident	76 Å²	76	68.6 Å²	68.6	47%	0.466	38%	0.376	S	S	.	.	H	α-helix	trans	-67.3	-41.2	179.9	-52.2	0	0	0	0	111.8	M350 A351 K356 L357 N358	M350-T354 WeakPolarHBondContact O-CB 3.4Å; M350-T354 PolarHBondContact O-N 3.21Å; M350-T354 PolarHBondContact O-OG1 3.26Å; A351-T354 PolarHBondContact O-N 3.45Å; T354-K356 VanDerWaalsContact C-N 3.32Å; T354-K356 PolarHBondContact O-N 3.48Å; T354-L357 PolarHBondContact O-N 3.26Å; T354-N358 PolarHBondContact O-N 3.21Å; T354-N358 VanDerWaalsContact O-N 3.12Å
355	S	78.8	Confident	72.7	Confident	58 Å²	58	71.7 Å²	71.7	41%	0.406	40%	0.401	S	S	.	.	H	α-helix	trans	-58.3	-45.8	175.8	-165.6	0	0	0	0	111.3	A351 N358 D359	A351-S355 PolarHBondContact O-N 3.33Å; S355-N358 PolarHBondContact O-N 2.96Å; S355-D359 PolarHBondContact O-N 3.02Å; S355-D359 VanDerWaalsContact O-N 3.16Å
356	K	71.9	Confident	70	Confident	78 Å²	78	78.3 Å²	78.3	34%	0.339	44%	0.437	S	S	.	.	H	α-helix	trans	-69.6	-33.9	179.5	-69.1	-172.1	179.4	-171.8	0	113.3	C352 L353 T354 N358 D359 V360 P408 L409	C352-K356 PolarHBondContact O-N 2.89Å; L353-K356 PolarHBondContact O-N 3.37Å; T354-K356 VanDerWaalsContact C-N 3.32Å; T354-K356 PolarHBondContact O-N 3.48Å; K356-N358 PolarHBondContact O-N 3.5Å; K356-D359 PolarHBondContact O-N 2.9Å; K356-V360 WeakPolarHBondContact O-CG2 3.28Å; K356-V360 PolarHBondContact O-N 2.99Å; K356-V360 VanDerWaalsContact O-N 3.14Å; K356-P408 PolarHBondContact NZ-O 2.92Å; K356-L409 HydrophobicContact CD-CD2 4.2Å
357	L	76.1	Confident	67.3	Low	108 Å²	108	82.9 Å²	82.9	57%	0.565	46%	0.455	S	S	*	.	H	α-helix	trans	-65.1	-31.4	174.1	-78.4	167.5	0	0	0	111.9	L353 T354 N361	L353-L357 WeakPolarHBondContact O-CG 3.3Å; L353-L357 PolarHBondContact O-N 3.34Å; T354-L357 PolarHBondContact O-N 3.26Å; L357-N361 PolarHBondContact O-N 2.78Å; L357-N361 PolarHBondContact O-ND2 3.3Å
358	N	70.8	Confident	64.4	Low	91 Å²	91	87 Å²	87	49%	0.487	48%	0.478	S	S	.	.	H	α-helix	trans	-71.6	-41.5	173.5	-68.6	-6.2	0	0	0	111.2	T354 S355 K356 V360 N361 D362	T354-N358 PolarHBondContact O-N 3.21Å; T354-N358 VanDerWaalsContact O-N 3.12Å; S355-N358 PolarHBondContact O-N 2.96Å; K356-N358 PolarHBondContact O-N 3.5Å; N358-V360 VanDerWaalsContact C-N 3.32Å; N358-V360 PolarHBondContact O-N 3.29Å; N358-N361 PolarHBondContact O-N 3.15Å; N358-D362 PolarHBondContact O-N 2.87Å; N358-D362 VanDerWaalsContact O-N 3.15Å
359	D	62.5	Low	61.5	Low	91 Å²	91	94.1 Å²	94.1	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-59.2	-40.7	176.9	-59.4	-28.3	0	0	0	112	S355 K356 D362 D363	S355-D359 PolarHBondContact O-N 3.02Å; S355-D359 VanDerWaalsContact O-N 3.16Å; K356-D359 PolarHBondContact O-N 2.9Å; D359-D362 PolarHBondContact O-N 3.48Å; D359-D363 PolarHBondContact O-N 2.94Å
360	V	58.6	Low	58.5	Low	81 Å²	81	98.3 Å²	98.3	49%	0.491	54%	0.541	S	S	.	.	H	α-helix	trans	-68.8	-34.1	178.4	176.8	0	0	0	0	112.5	K356 N358 D362 D364	K356-V360 WeakPolarHBondContact O-CG2 3.28Å; K356-V360 PolarHBondContact O-N 2.99Å; K356-V360 VanDerWaalsContact O-N 3.14Å; N358-V360 VanDerWaalsContact C-N 3.32Å; N358-V360 PolarHBondContact O-N 3.29Å; V360-D362 VanDerWaalsContact C-N 3.34Å; V360-D364 PolarHBondContact O-N 3.03Å
361	N	52.5	Low	55.6	Low	102 Å²	102	100 Å²	100	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-75.2	-24.4	178.7	-70.8	-32.9	0	0	0	112.8	L357 N358 A365	L357-N361 PolarHBondContact O-N 2.78Å; L357-N361 PolarHBondContact O-ND2 3.3Å; N358-N361 PolarHBondContact O-N 3.15Å; N361-A365 PolarHBondContact O-N 3.09Å
362	D	50.4	Low	52.8	Low	112 Å²	112	105.8 Å²	105.8	60%	0.599	58%	0.579	S	S	*	*	H	α-helix	trans	-75.9	-32.8	174.5	-73.4	-24.7	0	0	0	111.2	N358 D359 V360 A365	N358-D362 PolarHBondContact O-N 2.87Å; N358-D362 VanDerWaalsContact O-N 3.15Å; D359-D362 PolarHBondContact O-N 3.48Å; V360-D362 VanDerWaalsContact C-N 3.34Å; D362-A365 PolarHBondContact O-N 3.32Å
363	D	46.5	Very low	50	Low	123 Å²	123	111.9 Å²	111.9	66%	0.658	61%	0.611	S	S	*	*	H	α-helix	trans	-68.4	-34.9	174.4	-72.9	-24	0	0	0	112.6	D359 A365	D359-D363 PolarHBondContact O-N 2.94Å; D363-A365 VanDerWaalsContact C-N 3.3Å; D363-A365 PolarHBondContact O-N 3.09Å
364	D	44.3	Very low	47.1	Very low	106 Å²	106	113.2 Å²	113.2	57%	0.567	62%	0.624	S	S	*	*	H	α-helix	trans	-78.9	-10.9	177.3	-78.4	-31.2	0	0	0	113.6	V360	V360-D364 PolarHBondContact O-N 3.03Å
365	A	41.2	Very low	44.2	Very low	68 Å²	68	116.4 Å²	116.4	56%	0.562	64%	0.638	S	S	*	*	H	α-helix	trans	-80.4	-24.7	-179.8	0	0	0	0	0	113.3	N361 D362 D363	N361-A365 PolarHBondContact O-N 3.09Å; D362-A365 PolarHBondContact O-N 3.32Å; D363-A365 VanDerWaalsContact C-N 3.3Å; D363-A365 PolarHBondContact O-N 3.09Å
366	D	33.9	Very low	41.7	Very low	144 Å²	144	121.6 Å²	121.6	77%	0.77	66%	0.661	S	S	*	*	H	α-helix	trans	-93.3	-16.4	-176.7	-85.3	-13.8	0	0	0	114.3
367	D	33.2	Very low	39.2	Very low	141 Å²	141	126.4 Å²	126.4	75%	0.754	69%	0.687	S	S	*	*	S	Bend	trans	-100.1	1.5	-172.7	-90.9	-10.4	0	0	0	116.2
368	N	29.6	Very low	36.6	Very low	141 Å²	141	130.3 Å²	130.3	75%	0.754	70%	0.702	S	S	*	*	S	Bend	trans	-118.1	22	179.4	-75.3	-50.4	0	0	0	115.5
369	L	28.2	Very low	34.2	Very low	153 Å²	153	129.4 Å²	129.4	80%	0.801	72%	0.715	S	S	*	*	S	Bend	trans	-108.8	44.3	168.8	-148.7	89.1	0	0	0	112.8
370	N	25	Very low	32.5	Very low	149 Å²	149	131.7 Å²	131.7	80%	0.797	73%	0.732	S	S	*	*	S	Bend	trans	-165.1	79.5	161.7	-85.3	-40	0	0	0	109.8
371	N	25.1	Very low	30.6	Very low	154 Å²	154	137.1 Å²	137.1	82%	0.824	75%	0.748	S	S	*	*			trans	173.1	139.1	138	-88	-34.7	0	0	0	111.8
372	L	27.9	Very low	29.2	Very low	147 Å²	147	139.5 Å²	139.5	77%	0.77	76%	0.761	S	S	*	*			trans	91.2	82.2	163.3	-62.1	138	0	0	0	116.9
373	D	25.9	Very low	27.8	Very low	132 Å²	132	138.2 Å²	138.2	71%	0.706	77%	0.774	S	S	*	*				64.8	102.4	115.7	-61.3	-18	0	0	0	118.4	N375	D373-N375 PolarHBondContact O-N 2.94Å
374	T	23.5	Very low	26.6	Very low	122 Å²	122	141 Å²	141	75%	0.748	78%	0.783	S	S	*	*			trans	-15.2	109.1	134.8	53.3	0	0	0	0	113.6
375	N	22.8	Very low	25.6	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	80%	0.799	S	S	*	*			trans	172.8	90.3	135	-83.4	-25	0	0	0	109.5	D373	D373-N375 PolarHBondContact O-N 2.94Å
376	N	25.8	Very low	24.7	Very low	167 Å²	167	148.6 Å²	148.6	89%	0.893	81%	0.809	S	S	*	*				177.1	127.6	120.3	-87.5	-24.5	0	0	0	110.3
377	M	19.5	Very low	24.1	Very low	178 Å²	178	149.7 Å²	149.7	88%	0.877	81%	0.809	S	S	*	*			trans	-63.7	166.9	172.4	-80.5	-177.2	159.8	0	0	112.3
378	E	22.3	Very low	23.7	Very low	191 Å²	191	148 Å²	148	89%	0.893	80%	0.804	S	S	*	*			trans	94.7	89	159.6	-53.7	-161.6	159.2	0	0	115.6
379	G	20.6	Very low	23.2	Very low	72 Å²	72	147.7 Å²	147.7	74%	0.742	80%	0.802	S	S	*	*			trans	-83.4	161.1	167.3	0	0	0	0	0	113.2
380	V	25	Very low	23.1	Very low	139 Å²	139	148.6 Å²	148.6	84%	0.842	80%	0.8	S	S	*	*			trans	-140.9	122.3	143	169.6	0	0	0	0	107.7
381	K	19.6	Very low	22.9	Very low	194 Å²	194	146.2 Å²	146.2	84%	0.843	80%	0.795	S	S	*	*			trans	-58.5	132.4	164.9	-60.9	170.2	177.5	177.5	0	108.9
382	N	22.1	Very low	23.1	Very low	153 Å²	153	145.7 Å²	145.7	82%	0.818	79%	0.791	S	S	*	*			trans	-164.3	118.5	142.2	-94.3	-24.7	0	0	0	110	Q384	N382-Q384 PolarHBondContact O-N 3.35Å
383	G	21.9	Very low	22.9	Very low	84 Å²	84	148 Å²	148	87%	0.866	80%	0.797	S	S	*	*			trans	-62.1	124.6	171.6	0	0	0	0	0	110.6
384	Q	22	Very low	22.9	Very low	183 Å²	183	146.8 Å²	146.8	86%	0.855	80%	0.799	S	S	*	*			trans	-119.1	117.6	162	-101.5	177.1	-14.6	0	0	108.9	N382 V386	N382-Q384 PolarHBondContact O-N 3.35Å; Q384-V386 PolarHBondContact O-N 3.22Å
385	K	21.5	Very low	22.9	Very low	206 Å²	206	152.2 Å²	152.2	90%	0.896	81%	0.806	S	S	*	*			trans	-49.4	119	170.9	-68.4	170.2	174.1	176.9	0	109	H387	K385-H387 PolarHBondContact O-N 3.17Å; K385-H387 VanDerWaalsContact O-N 3.08Å
386	V	23.8	Very low	23.3	Very low	126 Å²	126	151.2 Å²	151.2	76%	0.764	81%	0.805	S	S	*	*			trans	-71.6	103.7	175.6	-179.3	0	0	0	0	108.1	Q384 V388	Q384-V386 PolarHBondContact O-N 3.22Å; V386-V388 HydrophobicContact CG1-CG2 4.17Å; V386-V388 PolarHBondContact O-N 3.06Å
387	H	21	Very low	23.5	Very low	167 Å²	167	147.5 Å²	147.5	77%	0.773	80%	0.797	S	S	*	*			trans	-64.1	112.9	159.5	-110.5	-93.9	0	0	0	107.2	K385 D389	K385-H387 PolarHBondContact O-N 3.17Å; K385-H387 VanDerWaalsContact O-N 3.08Å; H387-D389 PolarHBondContact O-N 3.29Å
388	V	23.6	Very low	23.8	Very low	106 Å²	106	145.6 Å²	145.6	64%	0.642	79%	0.791	S	S	*	*			trans	-88.4	88.6	175.4	-173	0	0	0	0	107.4	V386 F390	V386-V388 HydrophobicContact CG1-CG2 4.17Å; V386-V388 PolarHBondContact O-N 3.06Å; V388-F390 HydrophobicContact CG1-CD2 4.34Å; V388-F390 HydrophobicContact CG1-CE2 4.23Å; V388-F390 PolarHBondContact O-N 3.46Å
389	D	20.2	Very low	24	Very low	135 Å²	135	143.2 Å²	143.2	72%	0.722	78%	0.784	S	S	*	*			trans	-73.4	109.8	170.3	-80	-22.5	0	0	0	109.3	H387 S391	H387-D389 PolarHBondContact O-N 3.29Å; D389-S391 PolarHBondContact O-N 2.92Å
390	F	25.6	Very low	24.2	Very low	172 Å²	172	145.3 Å²	145.3	75%	0.754	79%	0.787	S	S	*	*			trans	-72.6	90.8	170.3	-90.9	-94.4	0	0	0	109.3	V388 I392	V388-F390 HydrophobicContact CG1-CD2 4.34Å; V388-F390 HydrophobicContact CG1-CE2 4.23Å; V388-F390 PolarHBondContact O-N 3.46Å; F390-I392 HydrophobicContact CD1-CD1 4.15Å; F390-I392 HydrophobicContact CD1-CG1 4.5Å; F390-I392 HydrophobicContact CE1-CD1 4.41Å
391	S	21.6	Very low	24.5	Very low	99 Å²	99	148 Å²	148	69%	0.692	79%	0.788	S	S	*	*			trans	-128.3	78.2	162.6	-69.1	0	0	0	0	108.2	D389 E393	D389-S391 PolarHBondContact O-N 2.92Å; S391-E393 VanDerWaalsContact C-N 3.26Å; S391-E393 PolarHBondContact O-N 3.21Å
392	I	28.1	Very low	25	Very low	143 Å²	143	143.6 Å²	143.6	73%	0.733	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	82.8	170.9	-57.2	171.7	0	0	0	106.2	F390	F390-I392 HydrophobicContact CD1-CD1 4.15Å; F390-I392 HydrophobicContact CD1-CG1 4.5Å; F390-I392 HydrophobicContact CE1-CD1 4.41Å
393	E	24.8	Very low	25.5	Very low	196 Å²	196	142.3 Å²	142.3	92%	0.916	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.7	3.7	159.1	-112.1	165.1	-150.3	0	0	116.5	S391	S391-E393 VanDerWaalsContact C-N 3.26Å; S391-E393 PolarHBondContact O-N 3.21Å
394	S	26.1	Very low	26.1	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	77%	0.771	S	S	*	*	S	Bend	trans	-132.3	23.2	-174.1	66.2	0	0	0	0	117.7
395	R	23.6	Very low	26.8	Very low	236 Å²	236	139.1 Å²	139.1	89%	0.891	76%	0.757	S	S	*	*			trans	-138.1	89.8	165.7	-71	-172.4	177.8	176.1	-0.2	110.9
396	V	30	Very low	27.9	Very low	123 Å²	123	135.6 Å²	135.6	75%	0.745	74%	0.744	S	S	*	*				-166.5	77.7	121.8	-176.1	0	0	0	0	106.5
397	A	30	Very low	29.3	Very low	89 Å²	89	137.4 Å²	137.4	74%	0.736	74%	0.738	S	S	*	*			trans	-90	136.2	136.3	0	0	0	0	0	104.5
398	D	25.5	Very low	31.4	Very low	138 Å²	138	132.6 Å²	132.6	74%	0.738	72%	0.721	S	S	*	*	S	Bend	trans	104.3	105.8	178.2	-53.6	-19.9	0	0	0	116.1
399	N	26.8	Very low	33.9	Very low	141 Å²	141	129.1 Å²	129.1	75%	0.754	70%	0.699	S	S	*	*	S	Bend	trans	58.1	107.4	143.6	-71.9	-8	0	0	0	120	F401	N399-F401 PolarHBondContact O-N 3.48Å
400	S	24.6	Very low	36.9	Very low	115 Å²	115	126.4 Å²	126.4	80%	0.804	68%	0.684	S	S	*	*			trans	51.8	62.3	139.1	62.3	0	0	0	0	116.3	S402	S400-S402 PolarHBondContact O-N 2.97Å
401	F	32.9	Very low	39.7	Very low	195 Å²	195	118.2 Å²	118.2	86%	0.855	65%	0.648	S	S	*	*			trans	-74.5	101.1	144.2	-97	-94.1	0	0	0	107.2	N399 V403	N399-F401 PolarHBondContact O-N 3.48Å; F401-V403 PolarHBondContact O-N 3.3Å
402	S	30.1	Very low	42.8	Very low	103 Å²	103	116.1 Å²	116.1	72%	0.72	63%	0.631	S	S	*	*			trans	-43.3	127.1	164.9	45.9	0	0	0	0	109.6	S400	S400-S402 PolarHBondContact O-N 2.97Å
403	V	31.6	Very low	45.6	Very low	125 Å²	125	115.6 Å²	115.6	76%	0.758	62%	0.62	S	S	*	*			trans	-36.6	120.2	178.2	-176.3	0	0	0	0	109.9	F401 V405	F401-V403 PolarHBondContact O-N 3.3Å; V403-V405 PolarHBondContact O-N 2.79Å
404	P	34.9	Very low	48.5	Very low	109 Å²	109	112.5 Å²	112.5	71%	0.708	61%	0.605	S	S	*	*			trans	-63.6	112.3	179.1	25	-30.1	0	0	0	106.7	Q406	P404-Q406 PolarHBondContact O-N 2.72Å
405	V	36.1	Very low	51.5	Low	91 Å²	91	108.4 Å²	108.4	55%	0.552	58%	0.575	S	S	*	*			trans	-47.8	113.2	171.8	178.4	0	0	0	0	106.3	V403 Y407	V403-V405 PolarHBondContact O-N 2.79Å; V405-Y407 HydrophobicContact CB-CD2 3.99Å; V405-Y407 HydrophobicContact CB-CE2 3.45Å; V405-Y407 VanDerWaalsContact CB-CE2 3.45Å; V405-Y407 HydrophobicContact CG1-CD1 4.08Å; V405-Y407 HydrophobicContact CG1-CD2 3.91Å; V405-Y407 HydrophobicContact CG1-CE1 3.67Å; V405-Y407 HydrophobicContact CG1-CE2 3.49Å; V405-Y407 VanDerWaalsContact CG1-CE2 3.49Å; V405-Y407 HydrophobicContact CG1-CG 4.19Å; V405-Y407 HydrophobicContact CG2-CE2 4.41Å; V405-Y407 WeakPolarHBondContact O-CD2 3.33Å; V405-Y407 PolarHBondContact O-N 3.4Å
406	Q	45.4	Very low	54.6	Low	132 Å²	132	97.2 Å²	97.2	62%	0.617	53%	0.533	S	S	*	.			trans	-70.1	79.6	178.1	-80.6	-177.9	-25.9	0	0	108.1	P404	P404-Q406 PolarHBondContact O-N 2.72Å
407	Y	53.3	Low	57.4	Low	164 Å²	164	94.2 Å²	94.2	64%	0.643	51%	0.513	S	S	*	.			trans	-69.1	138.7	168.1	-63.4	-77.7	0	0	0	108.6	V405 L409	V405-Y407 HydrophobicContact CB-CD2 3.99Å; V405-Y407 HydrophobicContact CB-CE2 3.45Å; V405-Y407 VanDerWaalsContact CB-CE2 3.45Å; V405-Y407 HydrophobicContact CG1-CD1 4.08Å; V405-Y407 HydrophobicContact CG1-CD2 3.91Å; V405-Y407 HydrophobicContact CG1-CE1 3.67Å; V405-Y407 HydrophobicContact CG1-CE2 3.49Å; V405-Y407 VanDerWaalsContact CG1-CE2 3.49Å; V405-Y407 HydrophobicContact CG1-CG 4.19Å; V405-Y407 HydrophobicContact CG2-CE2 4.41Å; V405-Y407 WeakPolarHBondContact O-CD2 3.33Å; V405-Y407 PolarHBondContact O-N 3.4Å; Y407-L409 PolarHBondContact O-N 3.04Å
408	P	63.9	Low	60.1	Low	66 Å²	66	96.7 Å²	96.7	43%	0.429	51%	0.507	S	S	.	.			trans	-57.8	133.5	171.2	23.2	-30.5	0	0	0	109.8	Q319 K356	Q319-P408 VanDerWaalsContact CD-CB 3.49Å; Q319-P408 HydrophobicContact CG-CB 4.16Å; K356-P408 PolarHBondContact NZ-O 2.92Å
409	L	76.5	Confident	63.1	Low	34 Å²	34	90.2 Å²	90.2	18%	0.178	47%	0.473	C	S	.	.			trans	-86.5	113.7	171.2	-70	167.3	0	0	0	107.1	L318 Q319 C352 L353 K356 Y407	L318-L409 HydrophobicContact CD2-CB 3.38Å; L318-L409 HydrophobicContact CD2-CD1 3.71Å; L318-L409 HydrophobicContact CD2-CG 4.2Å; Q319-L409 PolarHBondContact N-O 3.3Å; C352-L409 HydrophobicContact CB-CB 4.21Å; C352-L409 HydrophobicContact CB-CD2 3.85Å; C352-L409 HydrophobicContact CB-CG 4.48Å; L353-L409 HydrophobicContact CD2-CD1 4.37Å; L353-L409 HydrophobicContact CD2-CD2 4.01Å; L353-L409 HydrophobicContact CG-CD1 4.45Å; L353-L409 HydrophobicContact CG-CD2 4.38Å; K356-L409 HydrophobicContact CD-CD2 4.2Å; Y407-L409 PolarHBondContact O-N 3.04Å
410	I	82.8	Confident	66	Low	77 Å²	77	84.8 Å²	84.8	40%	0.395	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.6	179.6	-57.3	172.7	0	0	0	108.7	Q319	Q319-I410 CarbonylContact O-C 3.45Å; Q319-I410 VanDerWaalsContact O-CA 3.32Å; Q319-I410 WeakPolarHBondContact O-CA 3.27Å
411	V	84.9	Confident	68.9	Low	0 Å²	0	84.9 Å²	84.9	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.4	176.9	176.1	0	0	0	0	108.9	L318 Q319 L320 S321 L348 V416	L318-V411 HydrophobicContact CB-CG2 3.92Å; L318-V411 HydrophobicContact CD1-CG2 3.84Å; L318-V411 HydrophobicContact CD2-CG2 4.44Å; L318-V411 HydrophobicContact CG-CG2 4.31Å; Q319-V411 PolarHBondContact O-N 3.24Å; L320-V411 HydrophobicContact CD2-CB 4.06Å; L320-V411 HydrophobicContact CD2-CG1 4.14Å; S321-V411 PolarHBondContact N-O 3.47Å; S321-V411 VanDerWaalsContact N-O 3.09Å; S321-V411 PolarHBondContact OG-O 3.36Å; L348-V411 HydrophobicContact CD2-CG1 3.99Å; V411-V416 HydrophobicContact CG1-CG2 3.53Å
412	T	86.9	Confident	71.5	Confident	55 Å²	55	79.7 Å²	79.7	34%	0.337	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-95.7	163.9	175.6	65.4	0	0	0	0	111.7	E414 I415 V416	T412-E414 VanDerWaalsContact C-N 3.3Å; T412-E414 PolarHBondContact O-N 3.48Å; T412-I415 PolarHBondContact O-N 3.36Å; T412-I415 VanDerWaalsContact O-N 3.15Å; T412-I415 WeakPolarHBondContact OG1-CD1 3.29Å; T412-I415 WeakPolarHBondContact OG1-CG1 3.22Å; T412-V416 WeakPolarHBondContact O-CG2 3.2Å; T412-V416 PolarHBondContact O-N 3.4Å; T412-V416 VanDerWaalsContact O-N 3.13Å
413	R	86.6	Confident	74.2	Confident	132 Å²	132	74.8 Å²	74.8	50%	0.498	39%	0.389	S	S	.	.	H	α-helix	trans	-59.8	-38.7	-179.5	-170.2	171.4	-172.3	151.4	10.4	112.9	L324 E328 I415 V416 D417	L324-R413 HydrophobicContact CD1-CB 4.27Å; L324-R413 HydrophobicContact CD2-CB 4.13Å; L324-R413 HydrophobicContact CD2-CG 4.15Å; L324-R413 HydrophobicContact CG-CB 4.37Å; E328-R413 IonicContact OE1-CZ 3.62Å; E328-R413 IonicContact OE1-NH2 3.44Å; E328-R413 PolarHBondContact OE1-NH2 3.41Å; R413-I415 VanDerWaalsContact C-N 3.33Å; R413-I415 PolarHBondContact O-N 2.91Å; R413-V416 WeakPolarHBondContact O-CB 3.34Å; R413-V416 PolarHBondContact O-N 3.15Å; R413-D417 PolarHBondContact O-N 3.35Å
414	E	87	Confident	76.6	Confident	132 Å²	132	71.8 Å²	71.8	62%	0.617	37%	0.37	S	S	*	.	H	α-helix	trans	-64.1	-37.5	177.4	-60.3	-178.1	-175.6	0	0	112.6	T412 D417 K418	T412-E414 VanDerWaalsContact C-N 3.3Å; T412-E414 PolarHBondContact O-N 3.48Å; E414-D417 PolarHBondContact O-N 3.37Å; E414-K418 WeakPolarHBondContact O-CG 3.4Å; E414-K418 PolarHBondContact O-N 3.16Å
415	I	87.7	Confident	78.7	Confident	19 Å²	19	67.4 Å²	67.4	10%	0.097	34%	0.342	C	S	.	.	H	α-helix	trans	-66.9	-42.5	176.5	-66.8	171	0	0	0	109.9	L348 A351 T412 R413 D417 K418 A419	L348-I415 HydrophobicContact CD2-CG2 3.95Å; A351-I415 HydrophobicContact CB-CG2 3.7Å; T412-I415 PolarHBondContact O-N 3.36Å; T412-I415 VanDerWaalsContact O-N 3.15Å; T412-I415 WeakPolarHBondContact OG1-CD1 3.29Å; T412-I415 WeakPolarHBondContact OG1-CG1 3.22Å; R413-I415 VanDerWaalsContact C-N 3.33Å; R413-I415 PolarHBondContact O-N 2.91Å; I415-D417 VanDerWaalsContact C-N 3.34Å; I415-D417 PolarHBondContact O-N 3.14Å; I415-K418 PolarHBondContact O-N 3.12Å; I415-A419 VanDerWaalsContact O-CB 3.29Å; I415-A419 WeakPolarHBondContact O-CB 3.28Å; I415-A419 PolarHBondContact O-N 3.31Å
416	V	89.1	Confident	80.4	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-46.4	174.5	173.1	0	0	0	0	110.7	L324 L329 L348 V411 T412 R413 K418 A419 L420	L324-V416 HydrophobicContact CD1-CG2 4.04Å; L329-V416 HydrophobicContact CD2-CB 4.31Å; L329-V416 HydrophobicContact CD2-CG1 3.4Å; L329-V416 VanDerWaalsContact CD2-CG1 3.4Å; L329-V416 HydrophobicContact CD2-CG2 3.88Å; L348-V416 HydrophobicContact CD2-CG2 4.12Å; V411-V416 HydrophobicContact CG1-CG2 3.53Å; T412-V416 WeakPolarHBondContact O-CG2 3.2Å; T412-V416 PolarHBondContact O-N 3.4Å; T412-V416 VanDerWaalsContact O-N 3.13Å; R413-V416 WeakPolarHBondContact O-CB 3.34Å; R413-V416 PolarHBondContact O-N 3.15Å; V416-K418 PolarHBondContact O-N 3.46Å; V416-A419 PolarHBondContact O-N 3.42Å; V416-L420 HydrophobicContact CG1-CD1 3.75Å; V416-L420 HydrophobicContact CG1-CG 4.21Å; V416-L420 WeakPolarHBondContact O-CB 3.12Å; V416-L420 WeakPolarHBondContact O-CG 3.43Å; V416-L420 PolarHBondContact O-N 3.2Å
417	D	88	Confident	81.4	Confident	60 Å²	60	59 Å²	59	32%	0.321	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-44.3	-179.9	-67.3	-24.3	0	0	0	111.5	R332 R413 E414 I415 A419 V421	R332-D417 IonicContact CZ-OD1 2.7Å; R332-D417 IonicContact NH1-OD1 3.32Å; R332-D417 PolarHBondContact NH1-OD1 2.96Å; R332-D417 IonicContact NH2-OD1 3.28Å; R332-D417 PolarHBondContact NH2-OD1 3.32Å; R413-D417 PolarHBondContact O-N 3.35Å; E414-D417 PolarHBondContact O-N 3.37Å; I415-D417 VanDerWaalsContact C-N 3.34Å; I415-D417 PolarHBondContact O-N 3.14Å; D417-A419 PolarHBondContact O-N 3.44Å; D417-V421 WeakPolarHBondContact O-CG2 3.5Å; D417-V421 PolarHBondContact O-N 3.35Å
418	K	88	Confident	81.9	Confident	141 Å²	141	56 Å²	56	61%	0.613	29%	0.293	S	S	*	.	H	α-helix	trans	-62.3	-40.9	173.7	-71.4	170.7	-176.9	170.7	0	111.9	E414 I415 V416 V421 V422	E414-K418 WeakPolarHBondContact O-CG 3.4Å; E414-K418 PolarHBondContact O-N 3.16Å; I415-K418 PolarHBondContact O-N 3.12Å; V416-K418 PolarHBondContact O-N 3.46Å; K418-V421 PolarHBondContact O-N 3.25Å; K418-V422 WeakPolarHBondContact O-CG2 3.3Å; K418-V422 PolarHBondContact O-N 3Å
419	A	89.1	Confident	81.2	Confident	2 Å²	2	59.8 Å²	59.8	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-69.6	-39.9	-178.6	0	0	0	0	0	112.9	L344 Q347 L348 I415 V416 D417 V421 V422 V423	L344-A419 HydrophobicContact CD1-CB 4Å; Q347-A419 HydrophobicContact CG-CB 3.99Å; L348-A419 HydrophobicContact CD2-CB 3.67Å; L348-A419 HydrophobicContact CG-CB 4.31Å; I415-A419 VanDerWaalsContact O-CB 3.29Å; I415-A419 WeakPolarHBondContact O-CB 3.28Å; I415-A419 PolarHBondContact O-N 3.31Å; V416-A419 PolarHBondContact O-N 3.42Å; D417-A419 PolarHBondContact O-N 3.44Å; A419-V421 VanDerWaalsContact C-N 3.26Å; A419-V421 PolarHBondContact O-N 3.02Å; A419-V422 PolarHBondContact O-N 3.35Å; A419-V422 VanDerWaalsContact O-N 3.15Å; A419-V423 PolarHBondContact O-N 3.37Å
420	L	87	Confident	80	Confident	26 Å²	26	60.4 Å²	60.4	14%	0.136	32%	0.315	C	S	.	.	H	α-helix	trans	-67.5	-23.9	178	-72.3	172.3	0	0	0	113.2	R332 T333 Y336 L344 V416	R332-L420 HydrophobicContact CB-CD1 4.25Å; T333-L420 HydrophobicContact CG2-CD2 3.8Å; Y336-L420 WeakPolarHBondContact OH-CD2 3.38Å; L344-L420 HydrophobicContact CD1-CD2 4.06Å; L344-L420 HydrophobicContact CD2-CD2 4.11Å; V416-L420 HydrophobicContact CG1-CD1 3.75Å; V416-L420 HydrophobicContact CG1-CG 4.21Å; V416-L420 WeakPolarHBondContact O-CB 3.12Å; V416-L420 WeakPolarHBondContact O-CG 3.43Å; V416-L420 PolarHBondContact O-N 3.2Å
421	V	86.3	Confident	78.2	Confident	117 Å²	117	60.7 Å²	60.7	71%	0.709	33%	0.328	S	S	*	.	H	α-helix	trans	-73.6	-36.1	172.3	173.4	0	0	0	0	111.1	D417 K418 A419	D417-V421 WeakPolarHBondContact O-CG2 3.5Å; D417-V421 PolarHBondContact O-N 3.35Å; K418-V421 PolarHBondContact O-N 3.25Å; A419-V421 VanDerWaalsContact C-N 3.26Å; A419-V421 PolarHBondContact O-N 3.02Å
422	V	86.8	Confident	76.8	Confident	86 Å²	86	61.6 Å²	61.6	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-81.1	-45.3	-177.8	175.7	0	0	0	0	112	K418 A419 V424	K418-V422 WeakPolarHBondContact O-CG2 3.3Å; K418-V422 PolarHBondContact O-N 3Å; A419-V422 PolarHBondContact O-N 3.35Å; A419-V422 VanDerWaalsContact O-N 3.15Å; V422-V424 PolarHBondContact O-N 2.93Å
423	V	86.1	Confident	75.4	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	33%	0.333	C	S	.	.			trans	-90.6	104.1	-178.1	-175.5	0	0	0	0	108.2	Y336 R343 L344 Q347 A419	Y336-V423 HydrophobicContact CE1-CG1 4.01Å; Y336-V423 PolarHBondContact OH-O 3.06Å; R343-V423 HydrophobicContact CB-CG1 4.3Å; R343-V423 HydrophobicContact CG-CG1 4.12Å; R343-V423 HydrophobicContact CG-CG2 4.24Å; L344-V423 HydrophobicContact CB-CG1 4.24Å; L344-V423 HydrophobicContact CD1-CB 4.16Å; L344-V423 HydrophobicContact CD1-CG2 4.36Å; Q347-V423 HydrophobicContact CB-CG2 3.74Å; Q347-V423 HydrophobicContact CG-CG2 3.99Å; A419-V423 PolarHBondContact O-N 3.37Å
424	V	82.1	Confident	74.2	Confident	61 Å²	61	57 Å²	57	37%	0.37	31%	0.312	S	S	.	.			trans	-99.9	134.2	177.2	160.2	0	0	0	0	109	V422 K428	V422-V424 PolarHBondContact O-N 2.93Å; V424-K428 HydrophobicContact CB-CD 4.42Å; V424-K428 HydrophobicContact CG1-CB 3.47Å; V424-K428 VanDerWaalsContact CG1-CB 3.47Å; V424-K428 HydrophobicContact CG1-CD 3.37Å; V424-K428 HydrophobicContact CG1-CG 3.35Å; V424-K428 HydrophobicContact CG2-CD 4.32Å
425	P	78.3	Confident	73.4	Confident	18 Å²	18	53.4 Å²	53.4	12%	0.117	30%	0.3	C	S	.	.			trans	-62.1	140.6	178.2	24.9	-32.8	0	0	0	109.9	Y336 D340 V427 K428	Y336-P425 HydrophobicContact CD2-CB 3.84Å; Y336-P425 HydrophobicContact CD2-CG 4.03Å; Y336-P425 HydrophobicContact CE2-CB 4.1Å; Y336-P425 HydrophobicContact CE2-CG 3.86Å; Y336-P425 HydrophobicContact CG-CB 4.12Å; D340-P425 WeakPolarHBondContact OD2-CA 3.45Å; P425-V427 PolarHBondContact O-N 3.41Å; P425-V427 VanDerWaalsContact O-N 3.1Å; P425-K428 HydrophobicContact CG-CB 4.17Å; P425-K428 WeakPolarHBondContact O-CB 3.43Å; P425-K428 PolarHBondContact O-N 2.98Å
426	A	72.2	Confident	72.4	Confident	24 Å²	24	53.7 Å²	53.7	20%	0.198	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-64.7	-22.3	-174.8	0	0	0	0	0	113.2	P170 F171 D340 K428	P170-A426 HydrophobicContact CB-CB 4.37Å; P170-A426 HydrophobicContact CG-CB 3.49Å; P170-A426 VanDerWaalsContact CG-CB 3.49Å; F171-A426 HydrophobicContact CD2-CB 4Å; F171-A426 HydrophobicContact CE2-CB 4.22Å; D340-A426 PolarHBondContact OD2-N 3.5Å; A426-K428 PolarHBondContact O-N 2.9Å
427	V	67.4	Low	71.7	Confident	22 Å²	22	54 Å²	54	13%	0.133	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-67.8	-20.8	174.2	-174.6	0	0	0	0	112.4	P169 M285 P425 N429 T430	P169-V427 HydrophobicContact CB-CG2 3.87Å; M285-V427 HydrophobicContact CE-CG2 4.05Å; M285-V427 HydrophobicContact SD-CG2 4.38Å; P425-V427 PolarHBondContact O-N 3.41Å; P425-V427 VanDerWaalsContact O-N 3.1Å; V427-N429 PolarHBondContact O-N 3.34Å; V427-N429 VanDerWaalsContact O-N 3.08Å; V427-T430 PolarHBondContact O-N 2.84Å; V427-T430 PolarHBondContact O-OG1 3.41Å
428	K	62.5	Low	71.2	Confident	101 Å²	101	58.5 Å²	58.5	44%	0.439	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-57.9	-23.2	177.8	171.4	136.6	-148.8	-164.1	0	113.5	V424 P425 A426 T430 F433	V424-K428 HydrophobicContact CB-CD 4.42Å; V424-K428 HydrophobicContact CG1-CB 3.47Å; V424-K428 VanDerWaalsContact CG1-CB 3.47Å; V424-K428 HydrophobicContact CG1-CD 3.37Å; V424-K428 HydrophobicContact CG1-CG 3.35Å; V424-K428 HydrophobicContact CG2-CD 4.32Å; P425-K428 HydrophobicContact CG-CB 4.17Å; P425-K428 WeakPolarHBondContact O-CB 3.43Å; P425-K428 PolarHBondContact O-N 2.98Å; A426-K428 PolarHBondContact O-N 2.9Å; K428-T430 VanDerWaalsContact C-N 3.28Å; K428-T430 PolarHBondContact O-N 2.89Å; K428-F433 VanDerWaalsContact C-CZ 3.5Å; K428-F433 HydrophobicContact CB-CD1 4.08Å; K428-F433 HydrophobicContact CB-CE1 3.3Å; K428-F433 HydrophobicContact CB-CZ 3.88Å; K428-F433 HydrophobicContact CD-CE1 3.49Å; K428-F433 VanDerWaalsContact CD-CE1 3.49Å; K428-F433 HydrophobicContact CD-CZ 4.06Å; K428-F433 HydrophobicContact CG-CD1 4.3Å; K428-F433 HydrophobicContact CG-CE1 3.13Å; K428-F433 HydrophobicContact CG-CZ 3.43Å; K428-F433 VanDerWaalsContact CG-CZ 3.43Å; K428-F433 WeakPolarHBondContact O-CE1 3.42Å; K428-F433 WeakPolarHBondContact O-CE2 3.48Å; K428-F433 WeakPolarHBondContact O-CZ 3.35Å
429	N	49.7	Very low	71.1	Confident	146 Å²	146	53 Å²	53	78%	0.781	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-84.7	-5.4	178.8	-64.1	-17.5	0	0	0	113.2	V427	V427-N429 PolarHBondContact O-N 3.34Å; V427-N429 VanDerWaalsContact O-N 3.08Å
430	T	51.5	Low	71	Confident	47 Å²	47	55.7 Å²	55.7	29%	0.288	32%	0.322	S	S	.	.	S	Bend	trans	-86.8	136.6	169.8	62.7	0	0	0	0	109	V427 K428 E432 F433	V427-T430 PolarHBondContact O-N 2.84Å; V427-T430 PolarHBondContact O-OG1 3.41Å; K428-T430 VanDerWaalsContact C-N 3.28Å; K428-T430 PolarHBondContact O-N 2.89Å; T430-E432 PolarHBondContact O-N 2.97Å; T430-F433 WeakPolarHBondContact O-CD2 3.34Å; T430-F433 WeakPolarHBondContact O-CE2 3.39Å
431	A	45.2	Very low	71.1	Confident	83 Å²	83	55.9 Å²	55.9	69%	0.686	32%	0.321	S	S	*	.	S	Bend	trans	-57.4	-4.9	-173.2	0	0	0	0	0	115.2
432	E	55.9	Low	71.2	Confident	18 Å²	18	54 Å²	54	8%	0.084	32%	0.318	C	S	.	.	S	Bend	trans	-132.7	89.2	-167.1	-67.3	167.1	-146.3	0	0	108.6	T430 L504 I526 R529	T430-E432 PolarHBondContact O-N 2.97Å; E432-L504 HydrophobicContact CB-CD1 3.97Å; E432-I526 HydrophobicContact CG-CG1 4.21Å; E432-I526 WeakPolarHBondContact OE1-CG1 3.33Å; E432-I526 WeakPolarHBondContact OE2-CA 3.29Å; E432-I526 WeakPolarHBondContact OE2-CG1 3.34Å; E432-R529 IonicContact OE1-NH1 3.72Å; E432-R529 PolarHBondContact OE1-NH1 3.12Å; E432-R529 VanDerWaalsContact OE1-NH1 3.08Å; E432-R529 WeakPolarHBondContact OE2-CD 3.32Å; E432-R529 IonicContact OE2-CZ 3.88Å; E432-R529 IonicContact OE2-NE 3.82Å; E432-R529 IonicContact OE2-NH1 3.27Å; E432-R529 PolarHBondContact OE2-NH1 3.26Å
433	F	57.5	Low	71.2	Confident	79 Å²	79	52.7 Å²	52.7	35%	0.346	31%	0.308	S	S	.	.			trans	-84.2	128.3	-174.9	-74.2	-112.9	0	0	0	111.3	K428 T430 T435	K428-F433 VanDerWaalsContact C-CZ 3.5Å; K428-F433 HydrophobicContact CB-CD1 4.08Å; K428-F433 HydrophobicContact CB-CE1 3.3Å; K428-F433 HydrophobicContact CB-CZ 3.88Å; K428-F433 HydrophobicContact CD-CE1 3.49Å; K428-F433 VanDerWaalsContact CD-CE1 3.49Å; K428-F433 HydrophobicContact CD-CZ 4.06Å; K428-F433 HydrophobicContact CG-CD1 4.3Å; K428-F433 HydrophobicContact CG-CE1 3.13Å; K428-F433 HydrophobicContact CG-CZ 3.43Å; K428-F433 VanDerWaalsContact CG-CZ 3.43Å; K428-F433 WeakPolarHBondContact O-CE1 3.42Å; K428-F433 WeakPolarHBondContact O-CE2 3.48Å; K428-F433 WeakPolarHBondContact O-CZ 3.35Å; T430-F433 WeakPolarHBondContact O-CD2 3.34Å; T430-F433 WeakPolarHBondContact O-CE2 3.39Å; F433-T435 HydrophobicContact CB-CG2 4.25Å
434	V	61.4	Low	71.3	Confident	11 Å²	11	53.6 Å²	53.6	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	116.6	162.6	177	0	0	0	0	108.3	N502 F503 L504 C533	V434-N502 HydrophobicContact CG1-CB 3.46Å; V434-N502 VanDerWaalsContact CG1-CB 3.46Å; V434-F503 WeakPolarHBondContact CA-O 3.36Å; V434-L504 HydrophobicContact CG2-CB 4.44Å; V434-L504 HydrophobicContact CG2-CD1 3.9Å; V434-C533 HydrophobicContact CG2-CB 4.19Å
435	T	69.1	Low	71.5	Confident	57 Å²	57	51.2 Å²	51.2	35%	0.35	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	161.4	175.9	54.5	0	0	0	0	109.5	F433 F503	F433-T435 HydrophobicContact CB-CG2 4.25Å; T435-F503 PolarHBondContact N-O 3.46Å; T435-F503 WeakPolarHBondContact O-CA 3.37Å; T435-F503 WeakPolarHBondContact O-CB 3.39Å; T435-F503 PolarHBondContact O-N 3.36Å
436	I	67.8	Low	71.9	Confident	25 Å²	25	51.2 Å²	51.2	13%	0.128	31%	0.305	C	S	.	.			trans	-100	119.7	159.1	-61.5	168.7	0	0	0	104.4	P334	P334-I436 HydrophobicContact CB-CB 4.3Å; P334-I436 HydrophobicContact CB-CD1 4.1Å; P334-I436 HydrophobicContact CB-CG1 3.92Å
437	P	74.6	Confident	72.7	Confident	10 Å²	10	51.6 Å²	51.6	7%	0.065	30%	0.303	C	S	.	.			trans	-67.5	136	179.8	-23.6	37.8	0	0	0	110.4	V439 K493 S496 N497 F503	P437-V439 PolarHBondContact O-N 3.34Å; P437-V439 VanDerWaalsContact O-N 3.16Å; P437-K493 HydrophobicContact CB-CB 3.58Å; P437-K493 HydrophobicContact CB-CD 4.2Å; P437-K493 HydrophobicContact CB-CG 3.77Å; P437-K493 HydrophobicContact CG-CB 3.89Å; P437-K493 HydrophobicContact CG-CG 3.82Å; P437-S496 VanDerWaalsContact CD-OG 3.26Å; P437-S496 WeakPolarHBondContact CD-OG 3.24Å; P437-S496 VanDerWaalsContact CG-OG 3.26Å; P437-S496 WeakPolarHBondContact CG-OG 3.42Å; P437-N497 WeakPolarHBondContact O-CB 3.26Å; P437-N497 PolarHBondContact O-ND2 2.88Å; P437-N497 VanDerWaalsContact O-ND2 3.14Å; P437-F503 HydrophobicContact CG-CB 3.67Å; P437-F503 HydrophobicContact CG-CD1 3.71Å; P437-F503 HydrophobicContact CG-CD2 4.17Å; P437-F503 HydrophobicContact CG-CE1 4.35Å; P437-F503 HydrophobicContact CG-CG 3.6Å
438	D	77	Confident	73.7	Confident	153 Å²	153	56 Å²	56	82%	0.818	32%	0.322	S	S	*	.	S	Bend	trans	-72	-3.6	174.6	-60.3	-39.4	0	0	0	113
439	V	85.6	Confident	75	Confident	26 Å²	26	56 Å²	56	16%	0.158	33%	0.331	C	S	.	.			trans	-78.8	127.9	-176.9	-175	0	0	0	0	109.5	P437 D443 L490 K493 A494 N497	P437-V439 PolarHBondContact O-N 3.34Å; P437-V439 VanDerWaalsContact O-N 3.16Å; V439-D443 HydrophobicContact CG1-CB 3.95Å; V439-L490 HydrophobicContact CG1-CD2 4.32Å; V439-L490 HydrophobicContact CG2-CD2 4.5Å; V439-K493 HydrophobicContact CB-CB 4.03Å; V439-K493 HydrophobicContact CG2-CB 4.21Å; V439-K493 HydrophobicContact CG2-CD 4.08Å; V439-A494 HydrophobicContact CG1-CB 4.33Å; V439-A494 WeakPolarHBondContact O-CA 3.38Å; V439-N497 WeakPolarHBondContact O-CB 3.26Å; V439-N497 PolarHBondContact O-ND2 3.46Å
440	T	88	Confident	77	Confident	59 Å²	59	49.4 Å²	49.4	36%	0.362	30%	0.296	S	S	.	.			trans	-107.6	171.1	175.9	67.1	0	0	0	0	110.7	A442 D443	T440-A442 PolarHBondContact O-N 3.49Å; T440-A442 WeakPolarHBondContact OG1-CB 3.45Å; T440-A442 PolarHBondContact OG1-N 2.88Å; T440-D443 PolarHBondContact N-OD2 3.47Å; T440-D443 WeakPolarHBondContact O-CB 3.43Å; T440-D443 PolarHBondContact O-N 3.17Å; T440-D443 VanDerWaalsContact O-N 3.09Å; T440-D443 PolarHBondContact OG1-OD2 3.46Å
441	W	88.5	Confident	78.9	Confident	30 Å²	30	50.8 Å²	50.8	11%	0.114	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-66.1	-16.8	171.3	-75.7	99.3	0	0	0	113.7	D443 V444 R451 L454 V491 A494 L495	W441-D443 PolarHBondContact O-N 3.48Å; W441-V444 HydrophobicContact CE3-CB 4.05Å; W441-V444 HydrophobicContact CE3-CG1 4.18Å; W441-V444 HydrophobicContact CE3-CG2 4.45Å; W441-V444 HydrophobicContact CZ3-CB 4.47Å; W441-V444 HydrophobicContact CZ3-CG1 4.14Å; W441-V444 PolarHBondContact O-N 2.88Å; W441-V444 VanDerWaalsContact O-O 3.13Å; W441-R451 HydrophobicContact CD2-CG 4.19Å; W441-R451 HydrophobicContact CE3-CB 4.39Å; W441-R451 HydrophobicContact CE3-CG 3.96Å; W441-R451 HydrophobicContact CH2-CB 3.83Å; W441-R451 HydrophobicContact CH2-CG 3.73Å; W441-R451 HydrophobicContact CZ2-CG 3.96Å; W441-R451 HydrophobicContact CZ3-CB 3.76Å; W441-R451 HydrophobicContact CZ3-CG 3.73Å; W441-L454 HydrophobicContact CH2-CD1 4.3Å; W441-V491 HydrophobicContact CH2-CG1 3.97Å; W441-A494 HydrophobicContact CD2-CB 4.02Å; W441-A494 HydrophobicContact CE3-CB 4.47Å; W441-A494 HydrophobicContact CG-CB 4.21Å; W441-A494 PolarHBondContact NE1-O 2.88Å; W441-L495 HydrophobicContact CZ2-CB 4.28Å
442	A	87.1	Confident	81.1	Confident	78 Å²	78	51.4 Å²	51.4	65%	0.645	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-68.1	-23.7	172.4	0	0	0	0	0	111.9	T440 V444	T440-A442 PolarHBondContact O-N 3.49Å; T440-A442 WeakPolarHBondContact OG1-CB 3.45Å; T440-A442 PolarHBondContact OG1-N 2.88Å; A442-V444 VanDerWaalsContact C-N 3.32Å
443	D	87.2	Confident	82.9	Confident	58 Å²	58	54.6 Å²	54.6	31%	0.31	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-86.3	-5.3	176.9	-51.3	-59.1	0	0	0	112.4	V439 T440 W441	V439-D443 HydrophobicContact CG1-CB 3.95Å; T440-D443 PolarHBondContact N-OD2 3.47Å; T440-D443 WeakPolarHBondContact O-CB 3.43Å; T440-D443 PolarHBondContact O-N 3.17Å; T440-D443 VanDerWaalsContact O-N 3.09Å; T440-D443 PolarHBondContact OG1-OD2 3.46Å; W441-D443 PolarHBondContact O-N 3.48Å
444	V	88.9	Confident	84.5	Confident	19 Å²	19	50.9 Å²	50.9	12%	0.115	28%	0.283	C	S	.	.	S	Bend	trans	-109.5	109.2	178.6	-178.7	0	0	0	0	109.1	W441 A442 L490 V491 A494	W441-V444 HydrophobicContact CE3-CB 4.05Å; W441-V444 HydrophobicContact CE3-CG1 4.18Å; W441-V444 HydrophobicContact CE3-CG2 4.45Å; W441-V444 HydrophobicContact CZ3-CB 4.47Å; W441-V444 HydrophobicContact CZ3-CG1 4.14Å; W441-V444 PolarHBondContact O-N 2.88Å; W441-V444 VanDerWaalsContact O-O 3.13Å; A442-V444 VanDerWaalsContact C-N 3.32Å; V444-L490 HydrophobicContact CG2-CB 4.35Å; V444-V491 HydrophobicContact CG1-CG2 3.98Å; V444-A494 HydrophobicContact CG2-CB 3.79Å
445	G	86.3	Confident	85.8	Confident	12 Å²	12	54.1 Å²	54.1	12%	0.124	30%	0.295	C	S	.	.			trans	-82.6	135.1	176.4	0	0	0	0	0	113.4	S620	G445-S620 VanDerWaalsContact CA-O 3.3Å; G445-S620 WeakPolarHBondContact CA-O 3.47Å; G445-S620 WeakPolarHBondContact CA-OG 3.22Å
446	G	86.7	Confident	86.8	Confident	18 Å²	18	54.7 Å²	54.7	19%	0.186	30%	0.296	C	S	.	.	S	Bend	trans	71.3	-149.3	176.7	0	0	0	0	0	114.2	E448 S620	G446-E448 VanDerWaalsContact C-N 3.28Å; G446-E448 PolarHBondContact O-N 3.38Å; G446-S620 PolarHBondContact N-OG 2.66Å
447	L	88.9	Confident	87.7	Confident	32 Å²	32	56.3 Å²	56.3	17%	0.168	30%	0.3	C	S	.	.			trans	58.9	28.5	176.4	-58.5	174.3	0	0	0	115.5	T449 T450 R451 V491 I609	L447-T449 PolarHBondContact O-N 3.37Å; L447-T449 VanDerWaalsContact O-N 3.14Å; L447-T450 WeakPolarHBondContact O-CA 3.45Å; L447-T450 WeakPolarHBondContact O-CB 3.38Å; L447-T450 PolarHBondContact O-N 3.24Å; L447-R451 PolarHBondContact O-N 3.08Å; L447-V491 HydrophobicContact CD1-CG2 3.87Å; L447-I609 HydrophobicContact CD1-CG2 3.75Å; L447-I609 HydrophobicContact CD2-CG2 3.83Å; L447-I609 HydrophobicContact CG-CG2 4.46Å
448	E	87.9	Confident	88.3	Confident	113 Å²	113	55.9 Å²	55.9	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-57.7	-35.5	-174.2	-160.1	62.2	-160.5	0	0	113.1	G446 R451 Q452	G446-E448 VanDerWaalsContact C-N 3.28Å; G446-E448 PolarHBondContact O-N 3.38Å; E448-R451 WeakPolarHBondContact O-CB 3.42Å; E448-R451 PolarHBondContact O-N 2.92Å; E448-R451 IonicContact OE1-NH1 3.24Å; E448-R451 PolarHBondContact OE1-NH1 3.19Å; E448-R451 IonicContact OE2-NH1 3.4Å; E448-Q452 WeakPolarHBondContact O-CB 3.14Å; E448-Q452 PolarHBondContact O-N 3.26Å
449	T	90	Very high	88.7	Confident	101 Å²	101	48.9 Å²	48.9	62%	0.62	26%	0.259	S	S	*	.	H	α-helix	trans	-66	-41.5	174.9	55.2	0	0	0	0	112.3	L447 Q452 Q453	L447-T449 PolarHBondContact O-N 3.37Å; L447-T449 VanDerWaalsContact O-N 3.14Å; T449-Q452 PolarHBondContact O-N 3.27Å; T449-Q453 WeakPolarHBondContact O-CG 3.38Å; T449-Q453 PolarHBondContact O-N 3.28Å; T449-Q453 VanDerWaalsContact O-N 3.09Å
450	T	91.6	Very high	88.6	Confident	8 Å²	8	50.9 Å²	50.9	5%	0.049	27%	0.269	C	S	.	.	H	α-helix	trans	-67.2	-43.5	177.2	-58.6	0	0	0	0	109.9	L447 Q452 Q453 L454 L607 I609	L447-T450 WeakPolarHBondContact O-CA 3.45Å; L447-T450 WeakPolarHBondContact O-CB 3.38Å; L447-T450 PolarHBondContact O-N 3.24Å; T450-Q452 PolarHBondContact O-N 2.71Å; T450-Q453 PolarHBondContact O-N 2.69Å; T450-L454 HydrophobicContact CG2-CD1 4.2Å; T450-L454 WeakPolarHBondContact O-CG 3.27Å; T450-L454 PolarHBondContact O-N 3.42Å; T450-L607 HydrophobicContact CG2-CB 4.28Å; T450-L607 HydrophobicContact CG2-CD1 3.85Å; T450-I609 HydrophobicContact CG2-CD1 4.32Å; T450-I609 HydrophobicContact CG2-CG1 4.32Å
451	R	91.2	Very high	88.5	Confident	77 Å²	77	48.2 Å²	48.2	29%	0.291	25%	0.253	S	S	.	.	H	α-helix	trans	-56	-49.1	174.1	-178.7	-178	-176.4	-165.8	2.9	111.5	W441 L447 E448 Q453 L454 Y455	W441-R451 HydrophobicContact CD2-CG 4.19Å; W441-R451 HydrophobicContact CE3-CB 4.39Å; W441-R451 HydrophobicContact CE3-CG 3.96Å; W441-R451 HydrophobicContact CH2-CB 3.83Å; W441-R451 HydrophobicContact CH2-CG 3.73Å; W441-R451 HydrophobicContact CZ2-CG 3.96Å; W441-R451 HydrophobicContact CZ3-CB 3.76Å; W441-R451 HydrophobicContact CZ3-CG 3.73Å; L447-R451 PolarHBondContact O-N 3.08Å; E448-R451 WeakPolarHBondContact O-CB 3.42Å; E448-R451 PolarHBondContact O-N 2.92Å; E448-R451 IonicContact OE1-NH1 3.24Å; E448-R451 PolarHBondContact OE1-NH1 3.19Å; E448-R451 IonicContact OE2-NH1 3.4Å; R451-Q453 VanDerWaalsContact C-N 3.33Å; R451-Q453 PolarHBondContact O-N 3.24Å; R451-L454 PolarHBondContact O-N 3.32Å; R451-Y455 WeakPolarHBondContact O-CB 3.36Å; R451-Y455 PolarHBondContact O-N 2.86Å
452	Q	91.8	Very high	88.2	Confident	95 Å²	95	48.7 Å²	48.7	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-38.3	178.8	-168.1	64.4	26.2	0	0	112.4	E448 T449 T450 Y455 N456	E448-Q452 WeakPolarHBondContact O-CB 3.14Å; E448-Q452 PolarHBondContact O-N 3.26Å; T449-Q452 PolarHBondContact O-N 3.27Å; T450-Q452 PolarHBondContact O-N 2.71Å; Q452-Y455 PolarHBondContact O-N 3.38Å; Q452-N456 PolarHBondContact NE2-OD1 2.94Å; Q452-N456 WeakPolarHBondContact O-CB 3.48Å; Q452-N456 PolarHBondContact O-N 3.3Å; Q452-N456 PolarHBondContact O-ND2 2.88Å
453	Q	92.8	Very high	88	Confident	85 Å²	85	50.1 Å²	50.1	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-42.5	177.1	-72.2	-178.4	49.4	0	0	112.1	T449 T450 R451 N456 R457 L607	T449-Q453 WeakPolarHBondContact O-CG 3.38Å; T449-Q453 PolarHBondContact O-N 3.28Å; T449-Q453 VanDerWaalsContact O-N 3.09Å; T450-Q453 PolarHBondContact O-N 2.69Å; R451-Q453 VanDerWaalsContact C-N 3.33Å; R451-Q453 PolarHBondContact O-N 3.24Å; Q453-N456 PolarHBondContact O-N 2.85Å; Q453-R457 WeakPolarHBondContact O-CB 3.46Å; Q453-R457 PolarHBondContact O-N 3Å; Q453-L607 HydrophobicContact CB-CD1 4.48Å; Q453-L607 HydrophobicContact CB-CD2 3.97Å; Q453-L607 HydrophobicContact CG-CD2 4.47Å
454	L	91.7	Very high	87.9	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-41.3	173.8	-71.5	174.1	0	0	0	111.8	W441 T450 R451 R457 F458 V478 V491 L495 L607	W441-L454 HydrophobicContact CH2-CD1 4.3Å; T450-L454 HydrophobicContact CG2-CD1 4.2Å; T450-L454 WeakPolarHBondContact O-CG 3.27Å; T450-L454 PolarHBondContact O-N 3.42Å; R451-L454 PolarHBondContact O-N 3.32Å; L454-R457 PolarHBondContact O-N 2.77Å; L454-F458 HydrophobicContact CD2-CD2 4.25Å; L454-F458 HydrophobicContact CD2-CE2 4.01Å; L454-F458 PolarHBondContact O-N 3.32Å; L454-V478 HydrophobicContact CD2-CB 4.31Å; L454-V478 HydrophobicContact CD2-CG1 3.83Å; L454-V478 HydrophobicContact CD2-CG2 4.13Å; L454-V491 HydrophobicContact CD1-CG1 3.33Å; L454-L495 HydrophobicContact CB-CD1 4.12Å; L454-L495 HydrophobicContact CD2-CD2 4.3Å; L454-L607 HydrophobicContact CD1-CD1 4.34Å; L454-L607 HydrophobicContact CD2-CD1 3.52Å; L454-L607 HydrophobicContact CG-CD1 3.6Å
455	Y	88.7	Confident	87.6	Confident	79 Å²	79	50.7 Å²	50.7	31%	0.31	25%	0.253	S	S	.	.	I	π-helix	trans	-58	-52.7	175	-176.7	-86.4	0	0	0	111.3	R451 Q452 R457 F458 M459 L460	R451-Y455 WeakPolarHBondContact O-CB 3.36Å; R451-Y455 PolarHBondContact O-N 2.86Å; Q452-Y455 PolarHBondContact O-N 3.38Å; Y455-R457 PolarHBondContact O-N 2.79Å; Y455-F458 PolarHBondContact O-N 2.81Å; Y455-M459 HydrophobicContact CD1-CB 4.4Å; Y455-M459 HydrophobicContact CD2-CB 3.59Å; Y455-M459 HydrophobicContact CD2-CG 3.41Å; Y455-M459 VanDerWaalsContact CD2-CG 3.41Å; Y455-M459 HydrophobicContact CE1-CB 4.41Å; Y455-M459 HydrophobicContact CE2-CB 3.63Å; Y455-M459 HydrophobicContact CE2-CG 3.74Å; Y455-M459 HydrophobicContact CG-CB 3.99Å; Y455-M459 HydrophobicContact CG-CG 4.09Å; Y455-M459 WeakPolarHBondContact O-CB 3.39Å; Y455-M459 PolarHBondContact O-N 3.34Å; Y455-L460 HydrophobicContact CE1-CD2 4.28Å; Y455-L460 PolarHBondContact O-N 2.86Å
456	N	89.5	Confident	87.5	Confident	69 Å²	69	57.8 Å²	57.8	37%	0.369	28%	0.283	S	S	.	.	I	π-helix	trans	-62.1	-29	178.5	-70.6	-15.8	0	0	0	112.7	Q452 Q453 L460 R473	Q452-N456 PolarHBondContact NE2-OD1 2.94Å; Q452-N456 WeakPolarHBondContact O-CB 3.48Å; Q452-N456 PolarHBondContact O-N 3.3Å; Q452-N456 PolarHBondContact O-ND2 2.88Å; Q453-N456 PolarHBondContact O-N 2.85Å; N456-L460 HydrophobicContact CB-CD1 4.26Å; N456-L460 WeakPolarHBondContact O-CD1 3.33Å; N456-R473 PolarHBondContact O-NH2 2.84Å; N456-R473 VanDerWaalsContact O-NH2 3.15Å
457	R	87.7	Confident	87.5	Confident	59 Å²	59	65.2 Å²	65.2	22%	0.223	31%	0.305	C	S	.	.	I	π-helix	trans	-78.2	-49	-179.6	-173.2	57.1	177.4	179.6	6	112.5	Q453 L454 Y455 L461 G476 V478 L605	Q453-R457 WeakPolarHBondContact O-CB 3.46Å; Q453-R457 PolarHBondContact O-N 3Å; L454-R457 PolarHBondContact O-N 2.77Å; Y455-R457 PolarHBondContact O-N 2.79Å; R457-L461 VanDerWaalsContact O-CD1 3.27Å; R457-L461 WeakPolarHBondContact O-CD1 3.18Å; R457-G476 VanDerWaalsContact CZ-O 3.32Å; R457-G476 PolarHBondContact NE-O 3.32Å; R457-G476 PolarHBondContact NH2-O 2.77Å; R457-V478 HydrophobicContact CG-CG2 3.83Å; R457-L605 HydrophobicContact CB-CD2 4.03Å; R457-L605 HydrophobicContact CG-CD2 4.06Å
458	F	87.8	Confident	87.3	Confident	1 Å²	1	63.9 Å²	63.9	0%	0.004	30%	0.299	C	S	.	.	I	π-helix	trans	-108.1	-48.4	-170.1	-64	-56.5	0	0	0	113.5	L454 Y455 L460 L461 I462 V478 L495 F582 V584	L454-F458 HydrophobicContact CD2-CD2 4.25Å; L454-F458 HydrophobicContact CD2-CE2 4.01Å; L454-F458 PolarHBondContact O-N 3.32Å; Y455-F458 PolarHBondContact O-N 2.81Å; F458-L460 VanDerWaalsContact C-N 3.33Å; F458-L460 PolarHBondContact O-N 2.79Å; F458-L461 WeakPolarHBondContact O-CB 3.47Å; F458-L461 PolarHBondContact O-N 2.89Å; F458-I462 WeakPolarHBondContact O-CG1 3.32Å; F458-I462 PolarHBondContact O-N 3.08Å; F458-V478 HydrophobicContact CD2-CG2 4.41Å; F458-V478 HydrophobicContact CE1-CG2 4.38Å; F458-V478 HydrophobicContact CE2-CB 4.13Å; F458-V478 HydrophobicContact CE2-CG2 3.41Å; F458-V478 VanDerWaalsContact CE2-CG2 3.41Å; F458-V478 HydrophobicContact CZ-CB 4.12Å; F458-V478 HydrophobicContact CZ-CG2 3.4Å; F458-V478 VanDerWaalsContact CZ-CG2 3.4Å; F458-L495 HydrophobicContact CD2-CD1 4.39Å; F458-L495 HydrophobicContact CD2-CD2 3.47Å; F458-L495 VanDerWaalsContact CD2-CD2 3.47Å; F458-L495 HydrophobicContact CD2-CG 4.44Å; F458-L495 HydrophobicContact CE2-CD2 3.76Å; F458-L495 HydrophobicContact CG-CD2 4.45Å; F458-F582 HydrophobicContact CD1-CB 3.91Å; F458-F582 AromaticContact CD1-CD1 3.4Å; F458-F582 HydrophobicContact CD1-CD1 3.4Å; F458-F582 VanDerWaalsContact CD1-CD1 3.4Å; F458-F582 HydrophobicContact CD1-CE1 4.14Å; F458-F582 AromaticContact CD1-CG 3.83Å; F458-F582 HydrophobicContact CD1-CG 3.83Å; F458-F582 HydrophobicContact CE1-CB 3.72Å; F458-F582 AromaticContact CE1-CD1 3.79Å; F458-F582 HydrophobicContact CE1-CD1 3.79Å; F458-F582 HydrophobicContact CE1-CG 4.11Å; F458-F582 HydrophobicContact CG-CD1 4.48Å; F458-F582 HydrophobicContact CZ-CB 4.44Å; F458-V584 HydrophobicContact CE2-CG2 3.68Å; F458-V584 HydrophobicContact CZ-CG2 3.76Å
459	M	84.4	Confident	87	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.025	29%	0.287	C	S	.	.	I	π-helix	trans	-63.7	-42	-173.8	-67.2	-52.1	98.2	0	0	110.9	Y455 L461 I462 D463 L495 A499	Y455-M459 HydrophobicContact CD1-CB 4.4Å; Y455-M459 HydrophobicContact CD2-CB 3.59Å; Y455-M459 HydrophobicContact CD2-CG 3.41Å; Y455-M459 VanDerWaalsContact CD2-CG 3.41Å; Y455-M459 HydrophobicContact CE1-CB 4.41Å; Y455-M459 HydrophobicContact CE2-CB 3.63Å; Y455-M459 HydrophobicContact CE2-CG 3.74Å; Y455-M459 HydrophobicContact CG-CB 3.99Å; Y455-M459 HydrophobicContact CG-CG 4.09Å; Y455-M459 WeakPolarHBondContact O-CB 3.39Å; Y455-M459 PolarHBondContact O-N 3.34Å; M459-L461 PolarHBondContact O-N 3.02Å; M459-L461 VanDerWaalsContact O-N 3.09Å; M459-I462 HydrophobicContact CE-CD1 3.67Å; M459-I462 PolarHBondContact O-N 2.92Å; M459-I462 HydrophobicContact SD-CD1 4.48Å; M459-D463 WeakPolarHBondContact O-CB 3.46Å; M459-D463 VanDerWaalsContact O-CG 3.31Å; M459-D463 PolarHBondContact O-N 2.76Å; M459-L495 HydrophobicContact CE-CD1 3.76Å; M459-L495 HydrophobicContact CE-CG 4.5Å; M459-A499 HydrophobicContact CE-CB 3.21Å; M459-A499 HydrophobicContact SD-CB 3.63Å
460	L	84.5	Confident	86.8	Confident	68 Å²	68	61.8 Å²	61.8	36%	0.356	29%	0.29	S	S	.	.	H	α-helix	trans	-59.3	-24.7	174.7	-68.3	-177.8	0	0	0	114.2	Y455 N456 F458	Y455-L460 HydrophobicContact CE1-CD2 4.28Å; Y455-L460 PolarHBondContact O-N 2.86Å; N456-L460 HydrophobicContact CB-CD1 4.26Å; N456-L460 WeakPolarHBondContact O-CD1 3.33Å; F458-L460 VanDerWaalsContact C-N 3.33Å; F458-L460 PolarHBondContact O-N 2.79Å
461	L	84.3	Confident	86.6	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-81.5	-28.7	175	-65.1	176	0	0	0	111.9	R457 F458 M459 W465 A468 R473 F582	R457-L461 VanDerWaalsContact O-CD1 3.27Å; R457-L461 WeakPolarHBondContact O-CD1 3.18Å; F458-L461 WeakPolarHBondContact O-CB 3.47Å; F458-L461 PolarHBondContact O-N 2.89Å; M459-L461 PolarHBondContact O-N 3.02Å; M459-L461 VanDerWaalsContact O-N 3.09Å; L461-W465 VanDerWaalsContact O-CA 3.26Å; L461-W465 WeakPolarHBondContact O-CA 3.27Å; L461-W465 PolarHBondContact O-N 3.35Å; L461-A468 HydrophobicContact CD2-CB 3.63Å; L461-R473 HydrophobicContact CD2-CB 3.86Å; L461-F582 HydrophobicContact CB-CE1 4.08Å; L461-F582 HydrophobicContact CB-CZ 4.3Å; L461-F582 HydrophobicContact CD1-CE1 3.86Å
462	I	83.4	Confident	86.1	Confident	39 Å²	39	69.6 Å²	69.6	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-85.9	-47.9	-175.7	-64.9	160.4	0	0	0	110.1	F458 M459 D464 A499 L501 F582	F458-I462 WeakPolarHBondContact O-CG1 3.32Å; F458-I462 PolarHBondContact O-N 3.08Å; M459-I462 HydrophobicContact CE-CD1 3.67Å; M459-I462 PolarHBondContact O-N 2.92Å; M459-I462 HydrophobicContact SD-CD1 4.48Å; I462-D464 VanDerWaalsContact C-N 3.29Å; I462-D464 PolarHBondContact O-N 3.17Å; I462-A499 HydrophobicContact CD1-CB 4Å; I462-L501 HydrophobicContact CD1-CD1 3.73Å; I462-L501 HydrophobicContact CD1-CD2 3.91Å; I462-L501 HydrophobicContact CD1-CG 4.02Å; I462-L501 HydrophobicContact CG1-CD2 4.49Å; I462-F582 HydrophobicContact CD1-CD2 4.4Å; I462-F582 HydrophobicContact CD1-CE2 3.72Å; I462-F582 HydrophobicContact CD1-CZ 3.99Å; I462-F582 HydrophobicContact CG1-CE2 3.61Å; I462-F582 HydrophobicContact CG1-CZ 3.53Å
463	D	83.5	Confident	85.7	Confident	108 Å²	108	69.6 Å²	69.6	58%	0.578	33%	0.328	S	S	*	.	H	α-helix	trans	-63.8	-36.4	-178.7	-63.9	-21.3	0	0	0	111.7	M459	M459-D463 WeakPolarHBondContact O-CB 3.46Å; M459-D463 VanDerWaalsContact O-CG 3.31Å; M459-D463 PolarHBondContact O-N 2.76Å
464	D	84.6	Confident	85	Confident	49 Å²	49	73.7 Å²	73.7	26%	0.262	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	58.1	-175.6	-160.2	-13.1	0	0	0	112.1	I462 E466 R467 A468	I462-D464 VanDerWaalsContact C-N 3.29Å; I462-D464 PolarHBondContact O-N 3.17Å; D464-E466 VanDerWaalsContact C-N 3.28Å; D464-E466 PolarHBondContact O-N 3.27Å; D464-R467 PolarHBondContact O-N 3.42Å; D464-R467 VanDerWaalsContact OD1-CB 3.24Å; D464-R467 WeakPolarHBondContact OD1-CB 3.32Å; D464-R467 WeakPolarHBondContact OD1-CG 3.21Å; D464-R467 PolarHBondContact OD1-N 3.43Å; D464-R467 WeakPolarHBondContact OD2-CD 3.48Å; D464-R467 WeakPolarHBondContact OD2-CG 3.17Å; D464-R467 IonicContact OD2-CZ 2.68Å; D464-R467 VanDerWaalsContact OD2-CZ 3.28Å; D464-R467 IonicContact OD2-NE 3.29Å; D464-R467 PolarHBondContact OD2-NE 3.31Å; D464-R467 IonicContact OD2-NH1 2.72Å; D464-R467 PolarHBondContact OD2-NH1 3.41Å; D464-A468 WeakPolarHBondContact O-CB 3.34Å; D464-A468 PolarHBondContact O-N 2.76Å
465	W	81.9	Confident	84.2	Confident	41 Å²	41	74.4 Å²	74.4	16%	0.155	35%	0.345	C	S	.	.	H	α-helix	trans	-57.2	-40	179.8	177.5	-100.1	0	0	0	112.8	L461 A468 Q469 R577 R580	L461-W465 VanDerWaalsContact O-CA 3.26Å; L461-W465 WeakPolarHBondContact O-CA 3.27Å; L461-W465 PolarHBondContact O-N 3.35Å; W465-A468 WeakPolarHBondContact O-CB 3.47Å; W465-A468 PolarHBondContact O-N 3.1Å; W465-Q469 HydrophobicContact CD2-CG 4.47Å; W465-Q469 VanDerWaalsContact CE2-NE2 3.33Å; W465-Q469 VanDerWaalsContact CH2-NE2 3.29Å; W465-Q469 HydrophobicContact CZ2-CG 4.41Å; W465-Q469 WeakPolarHBondContact O-CG 3.39Å; W465-Q469 PolarHBondContact O-N 2.78Å; W465-R577 WeakPolarHBondContact CH2-O 3.46Å; W465-R577 WeakPolarHBondContact CZ2-O 3.45Å; W465-R580 HydrophobicContact CD2-CG 4.29Å; W465-R580 HydrophobicContact CE3-CG 4.15Å; W465-R580 HydrophobicContact CH2-CG 3.93Å; W465-R580 HydrophobicContact CZ2-CG 4.06Å; W465-R580 HydrophobicContact CZ3-CG 3.99Å
466	E	84.6	Confident	83.8	Confident	160 Å²	160	70.7 Å²	70.7	75%	0.748	33%	0.33	S	S	*	.	H	α-helix	trans	-63.2	-47.5	-178.8	-67.2	-173.9	172.8	0	0	111.6	D464 A468 Q469 V470	D464-E466 VanDerWaalsContact C-N 3.28Å; D464-E466 PolarHBondContact O-N 3.27Å; E466-A468 VanDerWaalsContact C-N 3.32Å; E466-A468 PolarHBondContact O-N 3.49Å; E466-Q469 PolarHBondContact O-N 3.35Å; E466-V470 WeakPolarHBondContact O-CG2 3.5Å; E466-V470 PolarHBondContact O-N 3.21Å; E466-V470 VanDerWaalsContact O-N 3.14Å
467	R	86.8	Confident	83.9	Confident	174 Å²	174	67.5 Å²	67.5	66%	0.657	31%	0.314	S	S	*	.	H	α-helix	trans	-66.4	-35.4	174.5	-66.9	-167.9	-163.4	137	-10.8	111.9	D464 Q469 V470 L471	D464-R467 PolarHBondContact O-N 3.42Å; D464-R467 VanDerWaalsContact OD1-CB 3.24Å; D464-R467 WeakPolarHBondContact OD1-CB 3.32Å; D464-R467 WeakPolarHBondContact OD1-CG 3.21Å; D464-R467 PolarHBondContact OD1-N 3.43Å; D464-R467 WeakPolarHBondContact OD2-CD 3.48Å; D464-R467 WeakPolarHBondContact OD2-CG 3.17Å; D464-R467 IonicContact OD2-CZ 2.68Å; D464-R467 VanDerWaalsContact OD2-CZ 3.28Å; D464-R467 IonicContact OD2-NE 3.29Å; D464-R467 PolarHBondContact OD2-NE 3.31Å; D464-R467 IonicContact OD2-NH1 2.72Å; D464-R467 PolarHBondContact OD2-NH1 3.41Å; R467-Q469 VanDerWaalsContact C-N 3.28Å; R467-Q469 PolarHBondContact O-N 3.09Å; R467-V470 PolarHBondContact O-N 3.18Å; R467-L471 WeakPolarHBondContact O-CB 3.34Å; R467-L471 VanDerWaalsContact O-CG 3.31Å; R467-L471 WeakPolarHBondContact O-CG 3.5Å; R467-L471 PolarHBondContact O-N 2.93Å
468	A	84.3	Confident	84.1	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-38.6	175.5	0	0	0	0	0	112.5	L461 D464 W465 E466 H472 R473	L461-A468 HydrophobicContact CD2-CB 3.63Å; D464-A468 WeakPolarHBondContact O-CB 3.34Å; D464-A468 PolarHBondContact O-N 2.76Å; W465-A468 WeakPolarHBondContact O-CB 3.47Å; W465-A468 PolarHBondContact O-N 3.1Å; E466-A468 VanDerWaalsContact C-N 3.32Å; E466-A468 PolarHBondContact O-N 3.49Å; A468-H472 PolarHBondContact O-N 2.85Å; A468-H472 VanDerWaalsContact O-N 3.17Å; A468-R473 HydrophobicContact CB-CB 4.42Å; A468-R473 PolarHBondContact O-N 2.83Å
469	Q	81.4	Confident	84.5	Confident	58 Å²	58	64.7 Å²	64.7	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-47.5	174.3	-68.6	-61	-47.2	0	0	111.8	W465 E466 R467 L471 H472 R577	W465-Q469 HydrophobicContact CD2-CG 4.47Å; W465-Q469 VanDerWaalsContact CE2-NE2 3.33Å; W465-Q469 VanDerWaalsContact CH2-NE2 3.29Å; W465-Q469 HydrophobicContact CZ2-CG 4.41Å; W465-Q469 WeakPolarHBondContact O-CG 3.39Å; W465-Q469 PolarHBondContact O-N 2.78Å; E466-Q469 PolarHBondContact O-N 3.35Å; R467-Q469 VanDerWaalsContact C-N 3.28Å; R467-Q469 PolarHBondContact O-N 3.09Å; Q469-L471 VanDerWaalsContact C-N 3.3Å; Q469-L471 PolarHBondContact O-N 3.16Å; Q469-H472 PolarHBondContact O-N 3.1Å; Q469-R577 PolarHBondContact NE2-O 2.9Å
470	V	86.5	Confident	85.1	Confident	112 Å²	112	64.5 Å²	64.5	68%	0.679	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-40.2	177.7	175	0	0	0	0	111.4	E466 R467 H472	E466-V470 WeakPolarHBondContact O-CG2 3.5Å; E466-V470 PolarHBondContact O-N 3.21Å; E466-V470 VanDerWaalsContact O-N 3.14Å; R467-V470 PolarHBondContact O-N 3.18Å; V470-H472 PolarHBondContact O-CE1 2.75Å; V470-H472 PolarHBondContact O-N 3.02Å; V470-H472 PolarHBondContact O-ND1 3.42Å
471	L	87.3	Confident	85.5	Confident	125 Å²	125	63 Å²	63	65%	0.654	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	0.7	177.5	-67	175.1	0	0	0	113.6	R467 Q469 R473	R467-L471 WeakPolarHBondContact O-CB 3.34Å; R467-L471 VanDerWaalsContact O-CG 3.31Å; R467-L471 WeakPolarHBondContact O-CG 3.5Å; R467-L471 PolarHBondContact O-N 2.93Å; Q469-L471 VanDerWaalsContact C-N 3.3Å; Q469-L471 PolarHBondContact O-N 3.16Å; L471-R473 HydrophobicContact CB-CG 4.05Å; L471-R473 PolarHBondContact O-N 3.35Å; L471-R473 VanDerWaalsContact O-N 3.16Å
472	H	81.3	Confident	85.9	Confident	125 Å²	125	63.1 Å²	63.1	58%	0.579	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	34.8	-179.5	-59.4	63.8	0	0	0	112.5	A468 Q469 V470 R474 R577	A468-H472 PolarHBondContact O-N 2.85Å; A468-H472 VanDerWaalsContact O-N 3.17Å; Q469-H472 PolarHBondContact O-N 3.1Å; V470-H472 PolarHBondContact O-CE1 2.75Å; V470-H472 PolarHBondContact O-N 3.02Å; V470-H472 PolarHBondContact O-ND1 3.42Å; H472-R474 PolarHBondContact O-N 2.78Å; H472-R577 PolarHBondContact CD2-NH1 3.25Å
473	R	82.2	Confident	86.3	Confident	94 Å²	94	63.6 Å²	63.6	36%	0.355	30%	0.301	S	S	.	.			trans	-66.9	134.1	178.6	-70.3	-169.1	67.4	-177.5	-2.6	109.9	N456 L461 A468 L471	N456-R473 PolarHBondContact O-NH2 2.84Å; N456-R473 VanDerWaalsContact O-NH2 3.15Å; L461-R473 HydrophobicContact CD2-CB 3.86Å; A468-R473 HydrophobicContact CB-CB 4.42Å; A468-R473 PolarHBondContact O-N 2.83Å; L471-R473 HydrophobicContact CB-CG 4.05Å; L471-R473 PolarHBondContact O-N 3.35Å; L471-R473 VanDerWaalsContact O-N 3.16Å
474	R	78.7	Confident	86.6	Confident	171 Å²	171	62.7 Å²	62.7	65%	0.645	30%	0.301	S	S	*	.			trans	-85.9	139.1	175.6	-62.2	-173.2	-173.8	-179.6	1.3	111.6	H472 G476	H472-R474 PolarHBondContact O-N 2.78Å; R474-G476 PolarHBondContact O-N 2.98Å; R474-G476 VanDerWaalsContact O-N 3.14Å
475	S	74.3	Confident	86.9	Confident	18 Å²	18	61.9 Å²	61.9	13%	0.126	31%	0.305	C	S	.	.			trans	-82.3	45.6	173.5	49.1	0	0	0	0	112.4	D574	S475-D574 WeakPolarHBondContact CA-OD1 3.33Å; S475-D574 PolarHBondContact N-OD1 3.23Å; S475-D574 VanDerWaalsContact N-OD1 3.12Å; S475-D574 PolarHBondContact OG-OD1 2.93Å
476	G	80.6	Confident	87.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.			trans	-66.4	144.5	176.6	0	0	0	0	0	111	R457 R474 R602	R457-G476 VanDerWaalsContact CZ-O 3.32Å; R457-G476 PolarHBondContact NE-O 3.32Å; R457-G476 PolarHBondContact NH2-O 2.77Å; R474-G476 PolarHBondContact O-N 2.98Å; R474-G476 VanDerWaalsContact O-N 3.14Å; G476-R602 CarbonylContact C-O 3.4Å
477	G	90.8	Very high	87.6	Confident	3 Å²	3	53.9 Å²	53.9	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	178.2	-179.7	0	0	0	0	0	115.1	V583 R602 G604 L605	G477-V583 CarbonylContact C-O 3.4Å; G477-V583 WeakPolarHBondContact CA-O 3.3Å; G477-R602 WeakPolarHBondContact CA-O 3.43Å; G477-R602 PolarHBondContact N-O 2.93Å; G477-G604 PolarHBondContact O-N 3.28Å; G477-L605 PolarHBondContact O-N 2.99Å
478	V	93.9	Very high	87.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.6	-176.3	-178.7	0	0	0	0	109.9	L454 R457 F458 L480 V583 V584 G585 L605 L607	L454-V478 HydrophobicContact CD2-CB 4.31Å; L454-V478 HydrophobicContact CD2-CG1 3.83Å; L454-V478 HydrophobicContact CD2-CG2 4.13Å; R457-V478 HydrophobicContact CG-CG2 3.83Å; F458-V478 HydrophobicContact CD2-CG2 4.41Å; F458-V478 HydrophobicContact CE1-CG2 4.38Å; F458-V478 HydrophobicContact CE2-CB 4.13Å; F458-V478 HydrophobicContact CE2-CG2 3.41Å; F458-V478 VanDerWaalsContact CE2-CG2 3.41Å; F458-V478 HydrophobicContact CZ-CB 4.12Å; F458-V478 HydrophobicContact CZ-CG2 3.4Å; F458-V478 VanDerWaalsContact CZ-CG2 3.4Å; V478-L480 HydrophobicContact CG1-CD2 4Å; V478-V583 PolarHBondContact N-O 3.09Å; V478-V584 HydrophobicContact CB-CG2 4.49Å; V478-V584 CarbonylContact O-C 3.53Å; V478-V584 VanDerWaalsContact O-CA 3.28Å; V478-V584 WeakPolarHBondContact O-CA 3.44Å; V478-G585 PolarHBondContact O-N 2.86Å; V478-L605 CarbonylContact C-O 3.38Å; V478-L605 WeakPolarHBondContact CA-O 3.41Å; V478-L605 HydrophobicContact CG1-CD2 4.36Å; V478-L605 HydrophobicContact CG1-CG 4.32Å; V478-L605 HydrophobicContact CG2-CB 4.13Å; V478-L605 HydrophobicContact CG2-CD2 3.87Å; V478-L605 HydrophobicContact CG2-CG 4.34Å; V478-L607 HydrophobicContact CG1-CD1 3.67Å; V478-L607 HydrophobicContact CG1-CG 3.87Å
479	L	95.5	Very high	88.2	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.6	168.9	-176	69.2	0	0	0	109.5	I543 G585 T587 I593 L598 L603 L605 L607	L479-I543 HydrophobicContact CD1-CG2 3.88Å; L479-G585 CarbonylContact C-O 3.52Å; L479-G585 WeakPolarHBondContact CA-O 3.49Å; L479-T587 HydrophobicContact CD1-CG2 4.06Å; L479-T587 HydrophobicContact CD2-CG2 4.33Å; L479-T587 HydrophobicContact CG-CG2 4.33Å; L479-I593 HydrophobicContact CD1-CD1 4.11Å; L479-I593 HydrophobicContact CD2-CD1 4.05Å; L479-L598 HydrophobicContact CD2-CD2 3.52Å; L479-L603 HydrophobicContact CB-CB 4.27Å; L479-L603 HydrophobicContact CD1-CD1 4.15Å; L479-L605 PolarHBondContact N-O 3.31Å; L479-L607 PolarHBondContact O-N 3.14Å
480	L	95.8	Very high	88.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.4	170.2	-54.4	-177.1	0	0	0	108.8	V478 K488 V491 V584 G585 A586 T587 L607 I609	V478-L480 HydrophobicContact CG1-CD2 4Å; L480-K488 HydrophobicContact CB-CB 4.37Å; L480-K488 HydrophobicContact CB-CD 4.32Å; L480-K488 HydrophobicContact CB-CG 4.26Å; L480-K488 HydrophobicContact CD1-CB 4.4Å; L480-K488 WeakPolarHBondContact CD1-O 3.3Å; L480-V491 HydrophobicContact CD1-CG1 4.46Å; L480-V584 HydrophobicContact CD1-CG1 3.83Å; L480-V584 HydrophobicContact CG-CG1 3.87Å; L480-G585 PolarHBondContact N-O 3.22Å; L480-A586 HydrophobicContact CB-CB 4.43Å; L480-A586 CarbonylContact O-C 3.52Å; L480-A586 WeakPolarHBondContact O-CA 3.48Å; L480-T587 PolarHBondContact O-N 3.12Å; L480-L607 HydrophobicContact CD2-CB 3.98Å; L480-L607 HydrophobicContact CD2-CD1 4.02Å; L480-L607 HydrophobicContact CD2-CG 4.43Å; L480-I609 HydrophobicContact CB-CD1 4.29Å; L480-I609 HydrophobicContact CD1-CD1 4.28Å; L480-I609 HydrophobicContact CD2-CD1 4.1Å; L480-I609 HydrophobicContact CG-CD1 4.45Å
481	E	94.2	Very high	89	Confident	38 Å²	38	43.6 Å²	43.6	18%	0.178	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	146	179.9	167.7	-179.5	-167.8	0	0	109.4	K590 L607 M608 I609	E481-K590 HydrophobicContact CG-CB 4.22Å; E481-K590 HydrophobicContact CG-CD 4.41Å; E481-K590 WeakPolarHBondContact OE1-CB 3.34Å; E481-K590 WeakPolarHBondContact OE1-CD 3.48Å; E481-K590 WeakPolarHBondContact OE2-CD 3.37Å; E481-K590 IonicContact OE2-NZ 3.39Å; E481-K590 PolarHBondContact OE2-NZ 2.91Å; E481-L607 PolarHBondContact N-O 2.65Å; E481-M608 CarbonylContact O-C 3.58Å; E481-M608 WeakPolarHBondContact O-CA 3.31Å; E481-I609 PolarHBondContact O-N 2.97Å
482	G	92.6	Very high	89.2	Confident	5 Å²	5	37.7 Å²	37.7	5%	0.052	20%	0.202	C	C	.	.			trans	155.7	172.5	169.2	0	0	0	0	0	112.6	K488 T587 N588 I609	G482-K488 PolarHBondContact O-NZ 2.93Å; G482-T587 PolarHBondContact N-O 2.96Å; G482-N588 WeakPolarHBondContact O-CA 3.46Å; G482-N588 PolarHBondContact O-OD1 2.92Å; G482-I609 WeakPolarHBondContact CA-O 3.47Å
483	P	92	Very high	89.7	Confident	50 Å²	50	35.1 Å²	35.1	33%	0.325	19%	0.189	S	C	.	.			trans	-59.6	157.8	176.6	22.1	-28.6	0	0	0	112.3	K488 P611	P483-K488 PolarHBondContact O-NZ 2.8Å; P483-P611 HydrophobicContact CG-CG 4.02Å
484	P	90.4	Very high	90.1	Very high	88 Å²	88	30.7 Å²	30.7	57%	0.571	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	154.3	175.9	28	-35.1	0	0	0	110.6	C486	P484-C486 VanDerWaalsContact C-N 3.33Å; P484-C486 PolarHBondContact O-N 3.49Å
485	G	89.8	Confident	90.7	Very high	33 Å²	33	22.6 Å²	22.6	34%	0.34	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	0.1	176.5	0	0	0	0	0	116.5	G487 G655 A656	G485-G487 VanDerWaalsContact C-N 3.31Å; G485-G487 PolarHBondContact O-N 3.42Å; G485-G655 PolarHBondContact O-N 2.7Å; G485-A656 PolarHBondContact O-N 3.32Å
486	C	90.5	Very high	91.4	Very high	12 Å²	12	21.8 Å²	21.8	8%	0.081	14%	0.136	C	C	.	.	S	Bend	trans	-86.7	15.3	178.1	-65.1	0	0	0	0	115.2	P484 I609	P484-C486 VanDerWaalsContact C-N 3.33Å; P484-C486 PolarHBondContact O-N 3.49Å; C486-I609 HydrophobicContact CB-CG2 3.83Å; C486-I609 VanDerWaalsContact O-CG2 3.31Å; C486-I609 WeakPolarHBondContact O-CG2 3.35Å
487	G	90.2	Very high	91.7	Very high	21 Å²	21	24 Å²	24	22%	0.216	15%	0.148	C	C	.	.			trans	78.6	21	173.5	0	0	0	0	0	116.3	G485 T489 L490 V491	G485-G487 VanDerWaalsContact C-N 3.31Å; G485-G487 PolarHBondContact O-N 3.42Å; G487-T489 VanDerWaalsContact C-N 3.33Å; G487-T489 PolarHBondContact O-N 2.89Å; G487-L490 WeakPolarHBondContact O-CB 3.44Å; G487-L490 PolarHBondContact O-N 3.47Å; G487-V491 WeakPolarHBondContact O-CG2 3.49Å; G487-V491 PolarHBondContact O-N 3.4Å
488	K	93.3	Very high	91.5	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-50.8	-49.5	176.4	-65.2	-175.3	-74.8	-87.4	0	112.8	L480 G482 P483 V491 A492 A586 N588 I609	L480-K488 HydrophobicContact CB-CB 4.37Å; L480-K488 HydrophobicContact CB-CD 4.32Å; L480-K488 HydrophobicContact CB-CG 4.26Å; L480-K488 HydrophobicContact CD1-CB 4.4Å; L480-K488 WeakPolarHBondContact CD1-O 3.3Å; G482-K488 PolarHBondContact O-NZ 2.93Å; P483-K488 PolarHBondContact O-NZ 2.8Å; K488-V491 PolarHBondContact O-N 2.91Å; K488-A492 PolarHBondContact O-N 2.93Å; K488-A586 HydrophobicContact CB-CB 4.14Å; K488-A586 HydrophobicContact CD-CB 4.29Å; K488-N588 VanDerWaalsContact CE-OD1 3.25Å; K488-N588 WeakPolarHBondContact CE-OD1 3.04Å; K488-N588 PolarHBondContact NZ-OD1 3.48Å; K488-I609 HydrophobicContact CG-CD1 4.21Å
489	T	90.8	Very high	91	Very high	43 Å²	43	29 Å²	29	26%	0.264	17%	0.173	S	C	.	.	H	α-helix	trans	-67.9	-33.5	177.6	-48	0	0	0	0	112.3	G487 K493 F539 D541	G487-T489 VanDerWaalsContact C-N 3.33Å; G487-T489 PolarHBondContact O-N 2.89Å; T489-K493 WeakPolarHBondContact O-CG 3.41Å; T489-K493 PolarHBondContact O-N 3.44Å; T489-K493 VanDerWaalsContact O-N 3.17Å; T489-F539 HydrophobicContact CG2-CD1 4.48Å; T489-F539 HydrophobicContact CG2-CE1 3.71Å; T489-F539 HydrophobicContact CG2-CZ 4.16Å; T489-D541 PolarHBondContact OG1-OD2 3.14Å
490	L	91.2	Very high	90.2	Very high	76 Å²	76	31.1 Å²	31.1	40%	0.398	20%	0.195	S	C	.	.	H	α-helix	trans	-67.4	-44.1	176.5	-68.9	173.3	0	0	0	111.6	V439 V444 G487 A492 K493 A494	V439-L490 HydrophobicContact CG1-CD2 4.32Å; V439-L490 HydrophobicContact CG2-CD2 4.5Å; V444-L490 HydrophobicContact CG2-CB 4.35Å; G487-L490 WeakPolarHBondContact O-CB 3.44Å; G487-L490 PolarHBondContact O-N 3.47Å; L490-A492 PolarHBondContact O-N 3.4Å; L490-K493 PolarHBondContact O-N 2.99Å; L490-A494 WeakPolarHBondContact O-CB 3.4Å; L490-A494 PolarHBondContact O-N 3.5Å
491	V	93.2	Very high	89.7	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-44.7	177.5	170.5	0	0	0	0	111.2	W441 V444 L447 L454 L480 G487 K488 K493 A494 L495 I609	W441-V491 HydrophobicContact CH2-CG1 3.97Å; V444-V491 HydrophobicContact CG1-CG2 3.98Å; L447-V491 HydrophobicContact CD1-CG2 3.87Å; L454-V491 HydrophobicContact CD1-CG1 3.33Å; L480-V491 HydrophobicContact CD1-CG1 4.46Å; G487-V491 WeakPolarHBondContact O-CG2 3.49Å; G487-V491 PolarHBondContact O-N 3.4Å; K488-V491 PolarHBondContact O-N 2.91Å; V491-K493 VanDerWaalsContact C-N 3.34Å; V491-K493 PolarHBondContact O-N 3.13Å; V491-A494 PolarHBondContact O-N 2.91Å; V491-L495 VanDerWaalsContact O-CB 3.26Å; V491-L495 WeakPolarHBondContact O-CB 3.25Å; V491-L495 PolarHBondContact O-N 2.89Å; V491-I609 HydrophobicContact CG2-CD1 4.29Å
492	A	92.3	Very high	89.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-39.4	177.8	0	0	0	0	0	112.4	K488 L490 S496 F503 F539 V584	K488-A492 PolarHBondContact O-N 2.93Å; L490-A492 PolarHBondContact O-N 3.4Å; A492-S496 PolarHBondContact O-N 3.24Å; A492-S496 VanDerWaalsContact O-N 3.08Å; A492-S496 PolarHBondContact O-OG 2.66Å; A492-F503 HydrophobicContact CB-CE2 4.15Å; A492-F539 HydrophobicContact CB-CD2 3.29Å; A492-F539 HydrophobicContact CB-CE2 3.49Å; A492-F539 VanDerWaalsContact CB-CE2 3.49Å; A492-F539 HydrophobicContact CB-CG 4Å; A492-F539 HydrophobicContact CB-CZ 4.34Å; A492-V584 HydrophobicContact CB-CG1 4.33Å
493	K	91	Very high	88.9	Confident	71 Å²	71	30.3 Å²	30.3	31%	0.309	19%	0.19	S	C	.	.	H	α-helix	trans	-64.7	-50.1	175.2	-75.8	178.4	177.8	-177.6	0	111.9	P437 V439 T489 L490 V491 L495 S496 N497 F503	P437-K493 HydrophobicContact CB-CB 3.58Å; P437-K493 HydrophobicContact CB-CD 4.2Å; P437-K493 HydrophobicContact CB-CG 3.77Å; P437-K493 HydrophobicContact CG-CB 3.89Å; P437-K493 HydrophobicContact CG-CG 3.82Å; V439-K493 HydrophobicContact CB-CB 4.03Å; V439-K493 HydrophobicContact CG2-CB 4.21Å; V439-K493 HydrophobicContact CG2-CD 4.08Å; T489-K493 WeakPolarHBondContact O-CG 3.41Å; T489-K493 PolarHBondContact O-N 3.44Å; T489-K493 VanDerWaalsContact O-N 3.17Å; L490-K493 PolarHBondContact O-N 2.99Å; V491-K493 VanDerWaalsContact C-N 3.34Å; V491-K493 PolarHBondContact O-N 3.13Å; K493-L495 VanDerWaalsContact C-N 3.3Å; K493-L495 PolarHBondContact O-N 3.43Å; K493-S496 PolarHBondContact O-N 3.15Å; K493-S496 VanDerWaalsContact O-N 3.16Å; K493-S496 PolarHBondContact O-OG 2.72Å; K493-N497 PolarHBondContact O-N 3.44Å; K493-F503 HydrophobicContact CG-CE1 3.89Å; K493-F503 HydrophobicContact CG-CE2 4.28Å; K493-F503 HydrophobicContact CG-CZ 3.74Å
494	A	91.1	Very high	88.7	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-41	177.9	0	0	0	0	0	112.4	V439 W441 V444 L490 V491 N497 Q498	V439-A494 HydrophobicContact CG1-CB 4.33Å; V439-A494 WeakPolarHBondContact O-CA 3.38Å; W441-A494 HydrophobicContact CD2-CB 4.02Å; W441-A494 HydrophobicContact CE3-CB 4.47Å; W441-A494 HydrophobicContact CG-CB 4.21Å; W441-A494 PolarHBondContact NE1-O 2.88Å; V444-A494 HydrophobicContact CG2-CB 3.79Å; L490-A494 WeakPolarHBondContact O-CB 3.4Å; L490-A494 PolarHBondContact O-N 3.5Å; V491-A494 PolarHBondContact O-N 2.91Å; A494-N497 PolarHBondContact O-N 2.91Å; A494-Q498 WeakPolarHBondContact O-CB 3.38Å; A494-Q498 PolarHBondContact O-N 2.76Å
495	L	91.3	Very high	88.6	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-59	-49.3	174.1	176.9	70.4	0	0	0	111.5	W441 L454 F458 M459 V491 K493 N497 A499 L537 V584	W441-L495 HydrophobicContact CZ2-CB 4.28Å; L454-L495 HydrophobicContact CB-CD1 4.12Å; L454-L495 HydrophobicContact CD2-CD2 4.3Å; F458-L495 HydrophobicContact CD2-CD1 4.39Å; F458-L495 HydrophobicContact CD2-CD2 3.47Å; F458-L495 VanDerWaalsContact CD2-CD2 3.47Å; F458-L495 HydrophobicContact CD2-CG 4.44Å; F458-L495 HydrophobicContact CE2-CD2 3.76Å; F458-L495 HydrophobicContact CG-CD2 4.45Å; M459-L495 HydrophobicContact CE-CD1 3.76Å; M459-L495 HydrophobicContact CE-CG 4.5Å; V491-L495 VanDerWaalsContact O-CB 3.26Å; V491-L495 WeakPolarHBondContact O-CB 3.25Å; V491-L495 PolarHBondContact O-N 2.89Å; K493-L495 VanDerWaalsContact C-N 3.3Å; K493-L495 PolarHBondContact O-N 3.43Å; L495-N497 VanDerWaalsContact C-N 3.35Å; L495-N497 PolarHBondContact O-N 3.3Å; L495-A499 WeakPolarHBondContact O-CB 3.18Å; L495-A499 PolarHBondContact O-N 3.2Å; L495-A499 VanDerWaalsContact O-N 3.12Å; L495-L537 HydrophobicContact CD2-CD1 3.85Å; L495-L537 HydrophobicContact CG-CD1 4.47Å; L495-V584 HydrophobicContact CD2-CG2 4.42Å
496	S	89.1	Confident	88.6	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-38.7	-179.8	64.4	0	0	0	0	112.9	P437 A492 K493 A499 G500 L501 F503	P437-S496 VanDerWaalsContact CD-OG 3.26Å; P437-S496 WeakPolarHBondContact CD-OG 3.24Å; P437-S496 VanDerWaalsContact CG-OG 3.26Å; P437-S496 WeakPolarHBondContact CG-OG 3.42Å; A492-S496 PolarHBondContact O-N 3.24Å; A492-S496 VanDerWaalsContact O-N 3.08Å; A492-S496 PolarHBondContact O-OG 2.66Å; K493-S496 PolarHBondContact O-N 3.15Å; K493-S496 VanDerWaalsContact O-N 3.16Å; K493-S496 PolarHBondContact O-OG 2.72Å; S496-A499 PolarHBondContact O-N 3.12Å; S496-G500 PolarHBondContact O-N 3.23Å; S496-G500 VanDerWaalsContact O-N 3.11Å; S496-L501 PolarHBondContact O-N 3.42Å; S496-F503 WeakPolarHBondContact OG-CD2 3.29Å
497	N	86.8	Confident	88.4	Confident	47 Å²	47	28.5 Å²	28.5	25%	0.251	16%	0.163	S	C	.	.	H	α-helix	trans	-68	-47.3	178.8	-170.7	14.1	0	0	0	111.8	P437 V439 K493 A494 L495 A499 G500	P437-N497 WeakPolarHBondContact O-CB 3.26Å; P437-N497 PolarHBondContact O-ND2 2.88Å; P437-N497 VanDerWaalsContact O-ND2 3.14Å; V439-N497 WeakPolarHBondContact O-CB 3.26Å; V439-N497 PolarHBondContact O-ND2 3.46Å; K493-N497 PolarHBondContact O-N 3.44Å; A494-N497 PolarHBondContact O-N 2.91Å; L495-N497 VanDerWaalsContact C-N 3.35Å; L495-N497 PolarHBondContact O-N 3.3Å; N497-A499 PolarHBondContact O-N 3.28Å; N497-G500 PolarHBondContact O-N 3.23Å
498	Q	86.1	Confident	88.2	Confident	91 Å²	91	27.5 Å²	27.5	43%	0.425	15%	0.153	S	C	.	.	H	α-helix	trans	-58.4	-35.9	176.2	-170.6	-172.8	4.9	0	0	111.9	A494 G500	A494-Q498 WeakPolarHBondContact O-CB 3.38Å; A494-Q498 PolarHBondContact O-N 2.76Å; Q498-G500 VanDerWaalsContact C-N 3.33Å
499	A	83.8	Confident	87.6	Confident	18 Å²	18	30.1 Å²	30.1	15%	0.149	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.4	-179.1	0	0	0	0	0	114.6	M459 I462 L495 S496 N497 L501	M459-A499 HydrophobicContact CE-CB 3.21Å; M459-A499 HydrophobicContact SD-CB 3.63Å; I462-A499 HydrophobicContact CD1-CB 4Å; L495-A499 WeakPolarHBondContact O-CB 3.18Å; L495-A499 PolarHBondContact O-N 3.2Å; L495-A499 VanDerWaalsContact O-N 3.12Å; S496-A499 PolarHBondContact O-N 3.12Å; N497-A499 PolarHBondContact O-N 3.28Å; A499-L501 HydrophobicContact CB-CB 4.27Å; A499-L501 HydrophobicContact CB-CD1 3.65Å; A499-L501 HydrophobicContact CB-CG 3.5Å; A499-L501 VanDerWaalsContact CB-CG 3.5Å; A499-L501 PolarHBondContact O-N 2.88Å
500	G	79.8	Confident	87.2	Confident	44 Å²	44	32.6 Å²	32.6	45%	0.454	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	30.7	-168.5	0	0	0	0	0	113.1	S496 N497 Q498	S496-G500 PolarHBondContact O-N 3.23Å; S496-G500 VanDerWaalsContact O-N 3.11Å; N497-G500 PolarHBondContact O-N 3.23Å; Q498-G500 VanDerWaalsContact C-N 3.33Å
501	L	83.5	Confident	86.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.			trans	-89.2	142.5	179.7	-65	173.2	0	0	0	111.2	I462 S496 A499 F503 P535 L537 F582	I462-L501 HydrophobicContact CD1-CD1 3.73Å; I462-L501 HydrophobicContact CD1-CD2 3.91Å; I462-L501 HydrophobicContact CD1-CG 4.02Å; I462-L501 HydrophobicContact CG1-CD2 4.49Å; S496-L501 PolarHBondContact O-N 3.42Å; A499-L501 HydrophobicContact CB-CB 4.27Å; A499-L501 HydrophobicContact CB-CD1 3.65Å; A499-L501 HydrophobicContact CB-CG 3.5Å; A499-L501 VanDerWaalsContact CB-CG 3.5Å; A499-L501 PolarHBondContact O-N 2.88Å; L501-F503 PolarHBondContact O-N 2.85Å; L501-P535 HydrophobicContact CD2-CB 3.55Å; L501-P535 HydrophobicContact CD2-CG 4.04Å; L501-L537 HydrophobicContact CB-CB 4.34Å; L501-L537 HydrophobicContact CD1-CB 4.04Å; L501-L537 HydrophobicContact CD1-CD1 4.18Å; L501-F582 HydrophobicContact CD1-CD2 3.71Å; L501-F582 HydrophobicContact CD1-CE2 4.16Å; L501-F582 HydrophobicContact CD2-CD2 4.06Å; L501-F582 HydrophobicContact CD2-CE2 3.92Å
502	N	82.7	Confident	85.8	Confident	23 Å²	23	32.2 Å²	32.2	12%	0.123	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	127.7	164.2	-77.7	-25.4	0	0	0	109.8	V434 C533 P535 C536 L537	V434-N502 HydrophobicContact CG1-CB 3.46Å; V434-N502 VanDerWaalsContact CG1-CB 3.46Å; N502-C533 HydrophobicContact CB-CB 4.44Å; N502-C533 PolarHBondContact ND2-O 3.12Å; N502-P535 WeakPolarHBondContact CB-O 3.36Å; N502-P535 PolarHBondContact N-O 3.16Å; N502-P535 VanDerWaalsContact N-O 3.1Å; N502-C536 HydrophobicContact CB-CB 4.19Å; N502-C536 CarbonylContact O-C 3.52Å; N502-C536 VanDerWaalsContact O-CA 3.29Å; N502-C536 WeakPolarHBondContact O-CA 3.48Å; N502-C536 PolarHBondContact O-SG 3.06Å; N502-L537 PolarHBondContact O-N 3.1Å
503	F	87.9	Confident	84.3	Confident	3 Å²	3	35.5 Å²	35.5	1%	0.013	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.8	-177.1	-176.7	-102.6	0	0	0	110.9	V434 T435 P437 A492 K493 S496 L501 L537 F539	V434-F503 WeakPolarHBondContact CA-O 3.36Å; T435-F503 PolarHBondContact N-O 3.46Å; T435-F503 WeakPolarHBondContact O-CA 3.37Å; T435-F503 WeakPolarHBondContact O-CB 3.39Å; T435-F503 PolarHBondContact O-N 3.36Å; P437-F503 HydrophobicContact CG-CB 3.67Å; P437-F503 HydrophobicContact CG-CD1 3.71Å; P437-F503 HydrophobicContact CG-CD2 4.17Å; P437-F503 HydrophobicContact CG-CE1 4.35Å; P437-F503 HydrophobicContact CG-CG 3.6Å; A492-F503 HydrophobicContact CB-CE2 4.15Å; K493-F503 HydrophobicContact CG-CE1 3.89Å; K493-F503 HydrophobicContact CG-CE2 4.28Å; K493-F503 HydrophobicContact CG-CZ 3.74Å; S496-F503 WeakPolarHBondContact OG-CD2 3.29Å; L501-F503 PolarHBondContact O-N 2.85Å; F503-L537 HydrophobicContact CD2-CD2 3.56Å; F503-L537 HydrophobicContact CE2-CD2 3.63Å; F503-F539 HydrophobicContact CD2-CB 4.44Å; F503-F539 HydrophobicContact CE1-CB 4.47Å; F503-F539 HydrophobicContact CE2-CB 3.49Å; F503-F539 VanDerWaalsContact CE2-CB 3.49Å; F503-F539 HydrophobicContact CE2-CG 4.06Å; F503-F539 HydrophobicContact CZ-CB 3.5Å; F503-F539 AromaticContact CZ-CD1 3.9Å; F503-F539 HydrophobicContact CZ-CD1 3.9Å; F503-F539 AromaticContact CZ-CG 3.8Å; F503-F539 HydrophobicContact CZ-CG 3.8Å
504	L	88	Confident	82.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	105.6	175.3	-173.8	61.2	0	0	0	109.2	E432 V434 V506 I526 R529 A530 L537 I538 F539	E432-L504 HydrophobicContact CB-CD1 3.97Å; V434-L504 HydrophobicContact CG2-CB 4.44Å; V434-L504 HydrophobicContact CG2-CD1 3.9Å; L504-V506 HydrophobicContact CG-CG2 4.36Å; L504-I526 HydrophobicContact CD2-CG2 3.82Å; L504-R529 HydrophobicContact CD2-CB 4.48Å; L504-A530 HydrophobicContact CD2-CB 4.19Å; L504-L537 PolarHBondContact N-O 3.31Å; L504-I538 HydrophobicContact CD2-CG1 4.42Å; L504-I538 CarbonylContact O-C 3.58Å; L504-I538 WeakPolarHBondContact O-CA 3.37Å; L504-F539 PolarHBondContact O-N 2.95Å
505	S	88.7	Confident	81	Confident	40 Å²	40	48.5 Å²	48.5	28%	0.28	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.5	177.8	-165.2	0	0	0	0	110.4
506	V	89.2	Confident	79.5	Confident	5 Å²	5	56 Å²	56	3%	0.03	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.8	176.5	-179.5	0	0	0	0	108.3	L504 V511 I526 F539 F540 D541	L504-V506 HydrophobicContact CG-CG2 4.36Å; V506-V511 HydrophobicContact CG1-CG2 3.41Å; V506-V511 VanDerWaalsContact CG1-CG2 3.41Å; V506-I526 HydrophobicContact CB-CD1 4.5Å; V506-I526 HydrophobicContact CG1-CD1 3.75Å; V506-I526 HydrophobicContact CG2-CD1 3.94Å; V506-I526 HydrophobicContact CG2-CG1 4.1Å; V506-I526 HydrophobicContact CG2-CG2 3.89Å; V506-F539 PolarHBondContact N-O 3.21Å; V506-F540 HydrophobicContact CB-CD1 3.9Å; V506-F540 HydrophobicContact CB-CE1 4.04Å; V506-F540 HydrophobicContact CG1-CD1 3.96Å; V506-F540 HydrophobicContact CG1-CE1 3.98Å; V506-F540 HydrophobicContact CG2-CE1 4.35Å; V506-F540 CarbonylContact O-C 3.6Å; V506-F540 WeakPolarHBondContact O-CA 3.37Å; V506-D541 PolarHBondContact O-N 3.16Å
507	K	87.5	Confident	78.5	Confident	100 Å²	100	57.9 Å²	57.9	44%	0.435	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.7	172.1	-55.8	-174.7	-173.1	166.4	0	110.2	E510 D541	K507-E510 HydrophobicContact CB-CB 4.45Å; K507-E510 HydrophobicContact CB-CG 3.95Å; K507-E510 WeakPolarHBondContact CD-OE1 3.04Å; K507-E510 PolarHBondContact N-OE2 2.62Å; K507-E510 WeakPolarHBondContact O-CB 3.48Å; K507-E510 PolarHBondContact O-N 3.35Å; K507-D541 HydrophobicContact CG-CB 4.3Å
508	G	84.1	Confident	78	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-49.7	-49	-179.3	0	0	0	0	0	113.9	E510 V511 D541 I546	G508-E510 VanDerWaalsContact C-N 3.29Å; G508-E510 PolarHBondContact O-N 3.41Å; G508-V511 PolarHBondContact O-N 3.05Å; G508-D541 PolarHBondContact N-O 3.29Å; G508-I546 WeakPolarHBondContact O-CG2 3.31Å
509	P	82.5	Confident	77.7	Confident	66 Å²	66	55.6 Å²	55.6	43%	0.429	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-28.6	177.4	-25.6	35	0	0	0	115	V511 L512 E542 A545	P509-V511 VanDerWaalsContact C-N 3.3Å; P509-V511 PolarHBondContact O-N 3.26Å; P509-L512 PolarHBondContact O-N 3.18Å; P509-E542 VanDerWaalsContact CD-OE2 3.27Å; P509-E542 WeakPolarHBondContact CD-OE2 3.46Å; P509-E542 WeakPolarHBondContact CG-OE2 3.27Å; P509-A545 HydrophobicContact CG-CB 4.43Å
510	E	81.2	Confident	77.7	Confident	96 Å²	96	56.9 Å²	56.9	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-70.4	-28.5	-179.1	-67.6	170.1	174.4	0	0	112	K507 G508 L512 N513 R522	K507-E510 HydrophobicContact CB-CB 4.45Å; K507-E510 HydrophobicContact CB-CG 3.95Å; K507-E510 WeakPolarHBondContact CD-OE1 3.04Å; K507-E510 PolarHBondContact N-OE2 2.62Å; K507-E510 WeakPolarHBondContact O-CB 3.48Å; K507-E510 PolarHBondContact O-N 3.35Å; G508-E510 VanDerWaalsContact C-N 3.29Å; G508-E510 PolarHBondContact O-N 3.41Å; E510-L512 VanDerWaalsContact C-N 3.31Å; E510-N513 PolarHBondContact O-ND2 3.02Å; E510-R522 PolarHBondContact O-NH1 3.14Å
511	V	80.6	Confident	77.8	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-71.8	-28.4	176.7	-175.8	0	0	0	0	111.2	V506 G508 P509 N513 S519 I523 I526 I546	V506-V511 HydrophobicContact CG1-CG2 3.41Å; V506-V511 VanDerWaalsContact CG1-CG2 3.41Å; G508-V511 PolarHBondContact O-N 3.05Å; P509-V511 VanDerWaalsContact C-N 3.3Å; P509-V511 PolarHBondContact O-N 3.26Å; V511-N513 PolarHBondContact O-N 3.41Å; V511-S519 WeakPolarHBondContact O-CB 3.35Å; V511-S519 PolarHBondContact O-OG 2.74Å; V511-I523 HydrophobicContact CG1-CD1 4.35Å; V511-I523 HydrophobicContact CG1-CG1 3.89Å; V511-I526 HydrophobicContact CG2-CD1 4.2Å; V511-I546 HydrophobicContact CB-CG2 3.88Å; V511-I546 HydrophobicContact CG1-CG2 4.25Å; V511-I546 HydrophobicContact CG2-CG2 4.25Å
512	L	73.7	Confident	77.8	Confident	64 Å²	64	62 Å²	62	34%	0.335	30%	0.303	S	S	.	.			trans	-76.5	85	-175.4	-63.8	174.9	0	0	0	111.8	P509 E510 L562	P509-L512 PolarHBondContact O-N 3.18Å; E510-L512 VanDerWaalsContact C-N 3.31Å; L512-L562 HydrophobicContact CD2-CD1 3.92Å
513	N	62.6	Low	78.1	Confident	71 Å²	71	61 Å²	61	38%	0.38	30%	0.298	S	S	.	.			trans	-45.1	143.2	160.5	-52.2	-130.1	0	0	0	115.3	E510 V511 S519 R522	E510-N513 PolarHBondContact O-ND2 3.02Å; V511-N513 PolarHBondContact O-N 3.41Å; N513-S519 WeakPolarHBondContact CA-OG 3.16Å; N513-S519 PolarHBondContact N-OG 2.91Å; N513-R522 VanDerWaalsContact CB-NH2 3.33Å; N513-R522 VanDerWaalsContact CG-CZ 3.44Å; N513-R522 VanDerWaalsContact CG-NH1 3.3Å; N513-R522 VanDerWaalsContact ND2-CZ 3.3Å; N513-R522 PolarHBondContact ND2-NH1 3.21Å; N513-R522 PolarHBondContact ND2-NH2 2.79Å; N513-R522 PolarHBondContact OD1-NH2 2.66Å; N513-R522 VanDerWaalsContact OD1-NH2 3.15Å
514	K	58.2	Low	78	Confident	206 Å²	206	64.3 Å²	64.3	90%	0.896	31%	0.311	S	S	*	.	S	Bend	trans	-67.3	-26	157.7	-74.7	-173.8	-178.8	178.9	0	112.6
515	F	54.4	Low	77.8	Confident	138 Å²	138	65.5 Å²	65.5	61%	0.605	32%	0.316	S	S	*	.	S	Bend	trans	-93.9	127	-177	-60.4	-75.5	0	0	0	111.4	E518	F515-E518 HydrophobicContact CB-CG 3.93Å; F515-E518 PolarHBondContact O-N 2.76Å
516	Q	58.1	Low	77.7	Confident	160 Å²	160	63.6 Å²	63.6	75%	0.748	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	136.4	176.9	-63	177.5	23.3	0	0	110.1	E518	Q516-E518 PolarHBondContact O-N 3.32Å
517	G	68.3	Low	77.7	Confident	39 Å²	39	63.4 Å²	63.4	40%	0.402	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-31.5	-177.6	0	0	0	0	0	115.1	S519 E520 R521	G517-S519 VanDerWaalsContact C-N 3.34Å; G517-S519 PolarHBondContact O-N 3.1Å; G517-E520 PolarHBondContact O-N 2.84Å; G517-R521 PolarHBondContact O-N 2.95Å
518	E	76.1	Confident	77.5	Confident	83 Å²	83	60.4 Å²	60.4	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.3	-70.9	-171.3	171.9	0	0	111.9	F515 Q516 E520 R521 R522	F515-E518 HydrophobicContact CB-CG 3.93Å; F515-E518 PolarHBondContact O-N 2.76Å; Q516-E518 PolarHBondContact O-N 3.32Å; E518-E520 VanDerWaalsContact C-N 3.25Å; E518-E520 PolarHBondContact O-N 2.84Å; E518-R521 PolarHBondContact O-N 3.4Å; E518-R522 WeakPolarHBondContact O-CG 3.25Å; E518-R522 PolarHBondContact O-N 2.8Å; E518-R522 IonicContact OE2-NH2 3.86Å
519	S	81.4	Confident	77.3	Confident	7 Å²	7	62 Å²	62	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-34.2	179.4	-50.6	0	0	0	0	112.1	V511 N513 G517 R522 I523	V511-S519 WeakPolarHBondContact O-CB 3.35Å; V511-S519 PolarHBondContact O-OG 2.74Å; N513-S519 WeakPolarHBondContact CA-OG 3.16Å; N513-S519 PolarHBondContact N-OG 2.91Å; G517-S519 VanDerWaalsContact C-N 3.34Å; G517-S519 PolarHBondContact O-N 3.1Å; S519-R522 PolarHBondContact O-N 2.84Å; S519-I523 PolarHBondContact O-N 3.38Å
520	E	84	Confident	77.4	Confident	45 Å²	45	58.8 Å²	58.8	21%	0.21	27%	0.274	C	S	.	.	H	α-helix	trans	-73.9	-42.7	177.4	-68.5	173	-155.2	0	0	111.4	G517 E518 R522 I523 R524 S561 L562 Q565	G517-E520 PolarHBondContact O-N 2.84Å; E518-E520 VanDerWaalsContact C-N 3.25Å; E518-E520 PolarHBondContact O-N 2.84Å; E520-R522 PolarHBondContact O-N 2.78Å; E520-I523 PolarHBondContact O-N 2.92Å; E520-R524 PolarHBondContact O-N 2.81Å; E520-R524 VanDerWaalsContact O-N 3.11Å; E520-S561 VanDerWaalsContact CD-OG 3.27Å; E520-S561 WeakPolarHBondContact OE1-CB 3.38Å; E520-S561 PolarHBondContact OE1-OG 3.36Å; E520-L562 HydrophobicContact CB-CD2 4.21Å; E520-L562 HydrophobicContact CG-CD2 3.57Å; E520-L562 HydrophobicContact CG-CG 4.25Å; E520-L562 VanDerWaalsContact N-CD2 3.28Å; E520-Q565 HydrophobicContact CB-CB 4.47Å; E520-Q565 HydrophobicContact CB-CG 4.29Å; E520-Q565 HydrophobicContact CG-CB 4.35Å
521	R	81.7	Confident	77.5	Confident	86 Å²	86	58.3 Å²	58.3	33%	0.325	27%	0.268	S	S	.	.	H	α-helix	trans	-57	-41.5	172.8	176.5	176.5	167.8	165	-0.7	110.2	E228 S268 G517 E518 R524 E525	E228-R521 IonicContact OE1-NH1 3.65Å; E228-R521 PolarHBondContact OE1-NH1 2.92Å; S268-R521 PolarHBondContact O-NH2 3.29Å; G517-R521 PolarHBondContact O-N 2.95Å; E518-R521 PolarHBondContact O-N 3.4Å; R521-R524 WeakPolarHBondContact O-CB 3.43Å; R521-R524 PolarHBondContact O-N 2.97Å; R521-E525 HydrophobicContact CG-CG 4.4Å; R521-E525 WeakPolarHBondContact CG-OE1 3.4Å; R521-E525 IonicContact CZ-OE1 3.2Å; R521-E525 IonicContact NE-OE1 3.09Å; R521-E525 PolarHBondContact NE-OE1 3.08Å; R521-E525 IonicContact NH2-OE1 3.58Å; R521-E525 WeakPolarHBondContact O-CG 3.46Å; R521-E525 PolarHBondContact O-N 3.12Å
522	R	82.6	Confident	77.2	Confident	64 Å²	64	59.6 Å²	59.6	24%	0.242	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-44.6	176	-73	-177.1	-166.7	-171.6	9.3	113.4	E510 N513 E518 S519 E520 R524 E525 I526	E510-R522 PolarHBondContact O-NH1 3.14Å; N513-R522 VanDerWaalsContact CB-NH2 3.33Å; N513-R522 VanDerWaalsContact CG-CZ 3.44Å; N513-R522 VanDerWaalsContact CG-NH1 3.3Å; N513-R522 VanDerWaalsContact ND2-CZ 3.3Å; N513-R522 PolarHBondContact ND2-NH1 3.21Å; N513-R522 PolarHBondContact ND2-NH2 2.79Å; N513-R522 PolarHBondContact OD1-NH2 2.66Å; N513-R522 VanDerWaalsContact OD1-NH2 3.15Å; E518-R522 WeakPolarHBondContact O-CG 3.25Å; E518-R522 PolarHBondContact O-N 2.8Å; E518-R522 IonicContact OE2-NH2 3.86Å; S519-R522 PolarHBondContact O-N 2.84Å; E520-R522 PolarHBondContact O-N 2.78Å; R522-R524 VanDerWaalsContact C-N 3.25Å; R522-R524 PolarHBondContact O-N 2.72Å; R522-E525 PolarHBondContact O-N 3.08Å; R522-E525 VanDerWaalsContact O-N 3.12Å; R522-I526 VanDerWaalsContact O-CG1 3.28Å; R522-I526 WeakPolarHBondContact O-CG1 3.28Å; R522-I526 PolarHBondContact O-N 3.26Å
523	I	88.3	Confident	77.3	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-57	-44	174.5	-67.3	172.4	0	0	0	110.2	V511 S519 E520 E525 I526 F527 L562 Q565 L566 E569	V511-I523 HydrophobicContact CG1-CD1 4.35Å; V511-I523 HydrophobicContact CG1-CG1 3.89Å; S519-I523 PolarHBondContact O-N 3.38Å; E520-I523 PolarHBondContact O-N 2.92Å; I523-E525 VanDerWaalsContact C-N 3.35Å; I523-E525 PolarHBondContact O-N 2.98Å; I523-I526 PolarHBondContact O-N 2.91Å; I523-F527 HydrophobicContact CG2-CD2 4.07Å; I523-F527 HydrophobicContact CG2-CE2 4.05Å; I523-F527 VanDerWaalsContact O-CD2 3.3Å; I523-F527 WeakPolarHBondContact O-CD2 3.32Å; I523-F527 PolarHBondContact O-N 2.74Å; I523-F527 VanDerWaalsContact O-N 3.15Å; I523-L562 HydrophobicContact CD1-CB 4.39Å; I523-L562 HydrophobicContact CD1-CD2 3.88Å; I523-Q565 HydrophobicContact CB-CG 4.31Å; I523-Q565 HydrophobicContact CG2-CG 4.19Å; I523-L566 HydrophobicContact CD1-CB 4.41Å; I523-L566 HydrophobicContact CG2-CB 4.48Å; I523-L566 HydrophobicContact CG2-CD1 4.15Å; I523-E569 HydrophobicContact CG2-CG 4.21Å
524	R	86.9	Confident	78.1	Confident	74 Å²	74	57.1 Å²	57.1	28%	0.279	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-42.8	176.7	-162.7	179.5	-61.8	110.3	8.5	112.2	A267 E520 R521 R522 F527 E528	A267-R524 HydrophobicContact CB-CB 4.15Å; A267-R524 HydrophobicContact CB-CG 3.74Å; E520-R524 PolarHBondContact O-N 2.81Å; E520-R524 VanDerWaalsContact O-N 3.11Å; R521-R524 WeakPolarHBondContact O-CB 3.43Å; R521-R524 PolarHBondContact O-N 2.97Å; R522-R524 VanDerWaalsContact C-N 3.25Å; R522-R524 PolarHBondContact O-N 2.72Å; R524-F527 PolarHBondContact O-N 3.14Å; R524-E528 WeakPolarHBondContact O-CB 3.45Å; R524-E528 WeakPolarHBondContact O-CG 3.31Å; R524-E528 PolarHBondContact O-N 2.81Å
525	E	84	Confident	79.3	Confident	24 Å²	24	49.4 Å²	49.4	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-42.8	176.7	-72.8	175.8	-170.5	0	0	112	L265 A267 S268 R521 R522 I523 F527 E528 R529	L265-E525 HydrophobicContact CD1-CB 3.83Å; L265-E525 HydrophobicContact CD1-CG 4.05Å; A267-E525 HydrophobicContact CB-CG 3.82Å; S268-E525 VanDerWaalsContact CB-OE1 3.24Å; S268-E525 WeakPolarHBondContact CB-OE1 3.29Å; R521-E525 HydrophobicContact CG-CG 4.4Å; R521-E525 WeakPolarHBondContact CG-OE1 3.4Å; R521-E525 IonicContact CZ-OE1 3.2Å; R521-E525 IonicContact NE-OE1 3.09Å; R521-E525 PolarHBondContact NE-OE1 3.08Å; R521-E525 IonicContact NH2-OE1 3.58Å; R521-E525 WeakPolarHBondContact O-CG 3.46Å; R521-E525 PolarHBondContact O-N 3.12Å; R522-E525 PolarHBondContact O-N 3.08Å; R522-E525 VanDerWaalsContact O-N 3.12Å; I523-E525 VanDerWaalsContact C-N 3.35Å; I523-E525 PolarHBondContact O-N 2.98Å; E525-F527 PolarHBondContact O-N 3.43Å; E525-E528 PolarHBondContact O-N 3.39Å; E525-R529 WeakPolarHBondContact O-CB 3.01Å; E525-R529 WeakPolarHBondContact O-CG 3.46Å; E525-R529 PolarHBondContact O-N 3.37Å
526	I	87.1	Confident	80.8	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-56.3	-52.5	175.5	-70.6	160.3	0	0	0	110.7	E432 L504 V506 V511 R522 I523 E528 R529 A530 I538 F540	E432-I526 HydrophobicContact CG-CG1 4.21Å; E432-I526 WeakPolarHBondContact OE1-CG1 3.33Å; E432-I526 WeakPolarHBondContact OE2-CA 3.29Å; E432-I526 WeakPolarHBondContact OE2-CG1 3.34Å; L504-I526 HydrophobicContact CD2-CG2 3.82Å; V506-I526 HydrophobicContact CB-CD1 4.5Å; V506-I526 HydrophobicContact CG1-CD1 3.75Å; V506-I526 HydrophobicContact CG2-CD1 3.94Å; V506-I526 HydrophobicContact CG2-CG1 4.1Å; V506-I526 HydrophobicContact CG2-CG2 3.89Å; V511-I526 HydrophobicContact CG2-CD1 4.2Å; R522-I526 VanDerWaalsContact O-CG1 3.28Å; R522-I526 WeakPolarHBondContact O-CG1 3.28Å; R522-I526 PolarHBondContact O-N 3.26Å; I523-I526 PolarHBondContact O-N 2.91Å; I526-E528 VanDerWaalsContact C-N 3.34Å; I526-E528 PolarHBondContact O-N 3.07Å; I526-R529 PolarHBondContact O-N 3.27Å; I526-A530 WeakPolarHBondContact O-CB 3.36Å; I526-A530 PolarHBondContact O-N 3.1Å; I526-I538 HydrophobicContact CG2-CD1 4.45Å; I526-I538 HydrophobicContact CG2-CG2 4.06Å; I526-F540 HydrophobicContact CG2-CE1 4.45Å; I526-F540 HydrophobicContact CG2-CZ 4.18Å
527	F	88.4	Confident	82.3	Confident	1 Å²	1	35.2 Å²	35.2	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-69.5	-33.2	-177.2	-83.7	-102.9	0	0	0	112.3	I523 R524 E525 R531 I538 F540 L566 E569 L570 I573 V583	I523-F527 HydrophobicContact CG2-CD2 4.07Å; I523-F527 HydrophobicContact CG2-CE2 4.05Å; I523-F527 VanDerWaalsContact O-CD2 3.3Å; I523-F527 WeakPolarHBondContact O-CD2 3.32Å; I523-F527 PolarHBondContact O-N 2.74Å; I523-F527 VanDerWaalsContact O-N 3.15Å; R524-F527 PolarHBondContact O-N 3.14Å; E525-F527 PolarHBondContact O-N 3.43Å; F527-R531 WeakPolarHBondContact O-CB 3.47Å; F527-R531 VanDerWaalsContact O-CG 3.28Å; F527-R531 WeakPolarHBondContact O-CG 3.46Å; F527-R531 PolarHBondContact O-N 3.09Å; F527-R531 PolarHBondContact O-NE 3.42Å; F527-I538 HydrophobicContact CD1-CD1 4.09Å; F527-I538 HydrophobicContact CE1-CD1 4.24Å; F527-I538 HydrophobicContact CG-CD1 4.27Å; F527-F540 HydrophobicContact CE2-CE2 4.11Å; F527-F540 AromaticContact CE2-CZ 3.64Å; F527-F540 HydrophobicContact CE2-CZ 3.64Å; F527-F540 HydrophobicContact CZ-CE2 4.1Å; F527-F540 HydrophobicContact CZ-CZ 4.12Å; F527-L566 HydrophobicContact CE2-CD1 3.54Å; F527-L566 HydrophobicContact CZ-CD1 3.72Å; F527-E569 HydrophobicContact CB-CB 4.25Å; F527-E569 HydrophobicContact CB-CG 4.16Å; F527-E569 WeakPolarHBondContact CB-OE2 3.5Å; F527-E569 HydrophobicContact CD1-CB 3.59Å; F527-E569 HydrophobicContact CD1-CG 4.41Å; F527-E569 HydrophobicContact CD2-CB 3.77Å; F527-E569 HydrophobicContact CD2-CG 4.02Å; F527-E569 HydrophobicContact CE1-CB 3.71Å; F527-E569 HydrophobicContact CE2-CB 3.89Å; F527-E569 HydrophobicContact CE2-CG 4.48Å; F527-E569 HydrophobicContact CG-CB 3.61Å; F527-E569 HydrophobicContact CG-CG 3.96Å; F527-E569 HydrophobicContact CZ-CB 3.86Å; F527-L570 HydrophobicContact CE1-CD2 4.09Å; F527-L570 HydrophobicContact CE1-CG 4.5Å; F527-L570 HydrophobicContact CZ-CD2 3.92Å; F527-L570 HydrophobicContact CZ-CG 4.19Å; F527-I573 HydrophobicContact CD1-CD1 3.53Å; F527-I573 HydrophobicContact CD1-CG1 3.97Å; F527-I573 HydrophobicContact CE1-CD1 3.36Å; F527-I573 HydrophobicContact CE1-CG1 4.1Å; F527-V583 HydrophobicContact CE1-CG2 4.37Å
528	E	82.4	Confident	83.5	Confident	36 Å²	36	33.4 Å²	33.4	17%	0.168	15%	0.152	C	C	.	.	H	α-helix	trans	-68.9	-41.1	172.1	-80.7	-163.5	-170.1	0	0	113.3	L266 A267 R524 E525 I526 A530 R531 A532	L266-E528 WeakPolarHBondContact CB-OE2 3.49Å; L266-E528 PolarHBondContact N-OE2 3.47Å; A267-E528 WeakPolarHBondContact CA-OE1 3.39Å; A267-E528 WeakPolarHBondContact CA-OE2 3.46Å; A267-E528 HydrophobicContact CB-CB 4.33Å; A267-E528 HydrophobicContact CB-CG 3.99Å; A267-E528 WeakPolarHBondContact CB-OE1 3.3Å; A267-E528 WeakPolarHBondContact CB-OE2 3.48Å; A267-E528 PolarHBondContact N-OE1 3.21Å; A267-E528 PolarHBondContact N-OE2 3.21Å; R524-E528 WeakPolarHBondContact O-CB 3.45Å; R524-E528 WeakPolarHBondContact O-CG 3.31Å; R524-E528 PolarHBondContact O-N 2.81Å; E525-E528 PolarHBondContact O-N 3.39Å; I526-E528 VanDerWaalsContact C-N 3.34Å; I526-E528 PolarHBondContact O-N 3.07Å; E528-A530 VanDerWaalsContact C-N 3.33Å; E528-A530 PolarHBondContact O-N 2.74Å; E528-R531 WeakPolarHBondContact O-CB 3.23Å; E528-R531 PolarHBondContact O-N 3.43Å; E528-A532 PolarHBondContact O-N 3.33Å
529	R	80.4	Confident	84.3	Confident	34 Å²	34	29.4 Å²	29.4	13%	0.128	13%	0.134	C	C	.	.	H	α-helix	trans	-56.4	-51	170.9	-77.4	-175.5	178	107.4	7.2	109.6	L265 E432 L504 E525 I526 R531 A532 C533	L265-R529 HydrophobicContact CD1-CG 3.46Å; L265-R529 VanDerWaalsContact CD1-CG 3.46Å; L265-R529 HydrophobicContact CD2-CG 3.79Å; L265-R529 HydrophobicContact CG-CG 4.24Å; E432-R529 IonicContact OE1-NH1 3.72Å; E432-R529 PolarHBondContact OE1-NH1 3.12Å; E432-R529 VanDerWaalsContact OE1-NH1 3.08Å; E432-R529 WeakPolarHBondContact OE2-CD 3.32Å; E432-R529 IonicContact OE2-CZ 3.88Å; E432-R529 IonicContact OE2-NE 3.82Å; E432-R529 IonicContact OE2-NH1 3.27Å; E432-R529 PolarHBondContact OE2-NH1 3.26Å; L504-R529 HydrophobicContact CD2-CB 4.48Å; E525-R529 WeakPolarHBondContact O-CB 3.01Å; E525-R529 WeakPolarHBondContact O-CG 3.46Å; E525-R529 PolarHBondContact O-N 3.37Å; I526-R529 PolarHBondContact O-N 3.27Å; R529-R531 VanDerWaalsContact C-N 3.26Å; R529-R531 PolarHBondContact O-N 2.8Å; R529-A532 CarbonylContact O-C 3.58Å; R529-A532 PolarHBondContact O-N 3.2Å; R529-C533 WeakPolarHBondContact O-CB 3.45Å; R529-C533 PolarHBondContact O-N 3.34Å; R529-C533 PolarHBondContact O-SG 3.44Å
530	A	84.8	Confident	84.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-37.3	178.8	0	0	0	0	0	112.9	L504 I526 E528 C533 Q534 C536 I538 V581	L504-A530 HydrophobicContact CD2-CB 4.19Å; I526-A530 WeakPolarHBondContact O-CB 3.36Å; I526-A530 PolarHBondContact O-N 3.1Å; E528-A530 VanDerWaalsContact C-N 3.33Å; E528-A530 PolarHBondContact O-N 2.74Å; A530-C533 CarbonylContact O-C 3.58Å; A530-C533 PolarHBondContact O-N 2.85Å; A530-Q534 PolarHBondContact O-N 3.41Å; A530-C536 HydrophobicContact CB-CB 4.42Å; A530-C536 WeakPolarHBondContact O-CB 3.41Å; A530-I538 HydrophobicContact CB-CD1 3.36Å; A530-I538 HydrophobicContact CB-CG1 3.51Å; A530-V581 HydrophobicContact CB-CG1 3.88Å; A530-V581 HydrophobicContact CB-CG2 4.45Å
531	R	82.7	Confident	85.3	Confident	86 Å²	86	28.6 Å²	28.6	33%	0.325	13%	0.13	S	C	.	.	H	α-helix	trans	-65.7	-39.3	173.5	-77.3	-179.7	-94.2	145.3	-12.5	112.7	F527 E528 R529 C533 Q534 E569 V581	F527-R531 WeakPolarHBondContact O-CB 3.47Å; F527-R531 VanDerWaalsContact O-CG 3.28Å; F527-R531 WeakPolarHBondContact O-CG 3.46Å; F527-R531 PolarHBondContact O-N 3.09Å; F527-R531 PolarHBondContact O-NE 3.42Å; E528-R531 WeakPolarHBondContact O-CB 3.23Å; E528-R531 PolarHBondContact O-N 3.43Å; R529-R531 VanDerWaalsContact C-N 3.26Å; R529-R531 PolarHBondContact O-N 2.8Å; R531-C533 VanDerWaalsContact C-N 3.31Å; R531-Q534 VanDerWaalsContact O-CG 3.27Å; R531-Q534 WeakPolarHBondContact O-CG 3.42Å; R531-E569 IonicContact CZ-OE2 4Å; R531-E569 IonicContact NH2-OE2 2.9Å; R531-E569 PolarHBondContact NH2-OE2 3.24Å; R531-V581 HydrophobicContact CG-CG2 4.17Å
532	A	75.8	Confident	85.8	Confident	31 Å²	31	28.3 Å²	28.3	26%	0.256	13%	0.132	S	C	.	.	H	α-helix	trans	-71.4	-26.5	174.3	0	0	0	0	0	112.7	G284 M285 E528 R529	G284-A532 WeakPolarHBondContact CA-O 3.24Å; M285-A532 PolarHBondContact N-O 2.82Å; E528-A532 PolarHBondContact O-N 3.33Å; R529-A532 CarbonylContact O-C 3.58Å; R529-A532 PolarHBondContact O-N 3.2Å
533	C	75.7	Confident	86.2	Confident	7 Å²	7	25.3 Å²	25.3	5%	0.047	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	18	-178.2	-54.6	0	0	0	0	113.3	M285 V434 N502 R529 A530 R531 P535 C536	M285-C533 HydrophobicContact CG-CB 3.86Å; M285-C533 WeakPolarHBondContact CG-SG 3.27Å; V434-C533 HydrophobicContact CG2-CB 4.19Å; N502-C533 HydrophobicContact CB-CB 4.44Å; N502-C533 PolarHBondContact ND2-O 3.12Å; R529-C533 WeakPolarHBondContact O-CB 3.45Å; R529-C533 PolarHBondContact O-N 3.34Å; R529-C533 PolarHBondContact O-SG 3.44Å; A530-C533 CarbonylContact O-C 3.58Å; A530-C533 PolarHBondContact O-N 2.85Å; R531-C533 VanDerWaalsContact C-N 3.31Å; C533-P535 CarbonylContact O-C 3.54Å; C533-C536 HydrophobicContact CB-CB 4.3Å
534	Q	78.8	Confident	86.3	Confident	75 Å²	75	26.9 Å²	26.9	35%	0.35	13%	0.13	S	C	.	.			trans	-61.9	140.3	-176.1	-75	173.5	11.2	0	0	112.5	A530 R531 G579 R580 V581	A530-Q534 PolarHBondContact O-N 3.41Å; R531-Q534 VanDerWaalsContact O-CG 3.27Å; R531-Q534 WeakPolarHBondContact O-CG 3.42Å; Q534-G579 VanDerWaalsContact NE2-CA 3.26Å; Q534-R580 HydrophobicContact CB-CB 4.45Å; Q534-V581 HydrophobicContact CG-CG2 3.63Å; Q534-V581 VanDerWaalsContact NE2-CG2 3.34Å
535	P	83.4	Confident	86.3	Confident	45 Å²	45	24.9 Å²	24.9	29%	0.292	13%	0.128	S	C	.	.	S	Bend	cis	-79.7	131.4	-0.7	35.9	-37.2	0	0	0	112.6	L501 N502 C533 R580	L501-P535 HydrophobicContact CD2-CB 3.55Å; L501-P535 HydrophobicContact CD2-CG 4.04Å; N502-P535 WeakPolarHBondContact CB-O 3.36Å; N502-P535 PolarHBondContact N-O 3.16Å; N502-P535 VanDerWaalsContact N-O 3.1Å; C533-P535 CarbonylContact O-C 3.54Å; P535-R580 CarbonylContact C-O 3.52Å; P535-R580 VanDerWaalsContact CA-O 3.31Å; P535-R580 WeakPolarHBondContact CA-O 3.48Å; P535-R580 HydrophobicContact CB-CB 3.7Å
536	C	85.6	Confident	86.4	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.9	-168.7	-169.8	0	0	0	0	112.6	N502 A530 C533 R580 V581 F582	N502-C536 HydrophobicContact CB-CB 4.19Å; N502-C536 CarbonylContact O-C 3.52Å; N502-C536 VanDerWaalsContact O-CA 3.29Å; N502-C536 WeakPolarHBondContact O-CA 3.48Å; N502-C536 PolarHBondContact O-SG 3.06Å; A530-C536 HydrophobicContact CB-CB 4.42Å; A530-C536 WeakPolarHBondContact O-CB 3.41Å; C533-C536 HydrophobicContact CB-CB 4.3Å; C536-R580 PolarHBondContact N-O 3.1Å; C536-V581 CarbonylContact O-C 3.58Å; C536-V581 WeakPolarHBondContact O-CA 3.17Å; C536-F582 PolarHBondContact O-N 2.91Å
537	L	91	Very high	86.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119	168.3	-170.6	121.5	0	0	0	109.8	L495 L501 N502 F503 L504 F539 F582 V584	L495-L537 HydrophobicContact CD2-CD1 3.85Å; L495-L537 HydrophobicContact CG-CD1 4.47Å; L501-L537 HydrophobicContact CB-CB 4.34Å; L501-L537 HydrophobicContact CD1-CB 4.04Å; L501-L537 HydrophobicContact CD1-CD1 4.18Å; N502-L537 PolarHBondContact O-N 3.1Å; F503-L537 HydrophobicContact CD2-CD2 3.56Å; F503-L537 HydrophobicContact CE2-CD2 3.63Å; L504-L537 PolarHBondContact N-O 3.31Å; L537-F539 HydrophobicContact CD2-CB 4.41Å; L537-F582 CarbonylContact C-O 3.52Å; L537-F582 WeakPolarHBondContact CA-O 3.47Å; L537-F582 HydrophobicContact CD1-CB 4.11Å; L537-V584 HydrophobicContact CD1-CG2 3.87Å; L537-V584 HydrophobicContact CD2-CG2 4.27Å; L537-V584 HydrophobicContact CG-CG2 4.26Å
538	I	92.4	Very high	86	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.8	170.9	-48.3	177.7	0	0	0	108.2	L504 I526 F527 A530 F540 V581 F582 V583 V584	L504-I538 HydrophobicContact CD2-CG1 4.42Å; L504-I538 CarbonylContact O-C 3.58Å; L504-I538 WeakPolarHBondContact O-CA 3.37Å; I526-I538 HydrophobicContact CG2-CD1 4.45Å; I526-I538 HydrophobicContact CG2-CG2 4.06Å; F527-I538 HydrophobicContact CD1-CD1 4.09Å; F527-I538 HydrophobicContact CE1-CD1 4.24Å; F527-I538 HydrophobicContact CG-CD1 4.27Å; A530-I538 HydrophobicContact CB-CD1 3.36Å; A530-I538 HydrophobicContact CB-CG1 3.51Å; I538-F540 HydrophobicContact CB-CE2 4.29Å; I538-F540 HydrophobicContact CG2-CD2 4Å; I538-F540 HydrophobicContact CG2-CE1 4.31Å; I538-F540 HydrophobicContact CG2-CE2 3.45Å; I538-F540 VanDerWaalsContact CG2-CE2 3.45Å; I538-F540 HydrophobicContact CG2-CZ 3.62Å; I538-V581 HydrophobicContact CD1-CG1 3.76Å; I538-V581 HydrophobicContact CG1-CG1 3.95Å; I538-F582 PolarHBondContact N-O 3.3Å; I538-V583 HydrophobicContact CB-CG2 4.47Å; I538-V583 HydrophobicContact CD1-CG2 4.37Å; I538-V583 WeakPolarHBondContact O-CA 3.48Å; I538-V584 PolarHBondContact O-N 3.26Å
539	F	93.8	Very high	86	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.9	174.6	179.3	-107.8	0	0	0	110.4	T489 A492 F503 L504 V506 L537 D541 V584 A586	T489-F539 HydrophobicContact CG2-CD1 4.48Å; T489-F539 HydrophobicContact CG2-CE1 3.71Å; T489-F539 HydrophobicContact CG2-CZ 4.16Å; A492-F539 HydrophobicContact CB-CD2 3.29Å; A492-F539 HydrophobicContact CB-CE2 3.49Å; A492-F539 VanDerWaalsContact CB-CE2 3.49Å; A492-F539 HydrophobicContact CB-CG 4Å; A492-F539 HydrophobicContact CB-CZ 4.34Å; F503-F539 HydrophobicContact CD2-CB 4.44Å; F503-F539 HydrophobicContact CE1-CB 4.47Å; F503-F539 HydrophobicContact CE2-CB 3.49Å; F503-F539 VanDerWaalsContact CE2-CB 3.49Å; F503-F539 HydrophobicContact CE2-CG 4.06Å; F503-F539 HydrophobicContact CZ-CB 3.5Å; F503-F539 AromaticContact CZ-CD1 3.9Å; F503-F539 HydrophobicContact CZ-CD1 3.9Å; F503-F539 AromaticContact CZ-CG 3.8Å; F503-F539 HydrophobicContact CZ-CG 3.8Å; L504-F539 PolarHBondContact O-N 2.95Å; V506-F539 PolarHBondContact N-O 3.21Å; L537-F539 HydrophobicContact CD2-CB 4.41Å; F539-D541 HydrophobicContact CD1-CB 4.31Å; F539-D541 HydrophobicContact CE1-CB 3.62Å; F539-D541 HydrophobicContact CZ-CB 4.24Å; F539-V584 CarbonylContact C-O 3.54Å; F539-V584 VanDerWaalsContact CA-O 3.27Å; F539-V584 WeakPolarHBondContact CA-O 3.45Å; F539-V584 HydrophobicContact CD2-CB 4.18Å; F539-V584 HydrophobicContact CD2-CG1 3.97Å; F539-V584 HydrophobicContact CE2-CG1 4.24Å; F539-A586 HydrophobicContact CE2-CB 3.72Å; F539-A586 HydrophobicContact CZ-CB 3.6Å
540	F	93.2	Very high	85.6	Confident	1 Å²	1	32.2 Å²	32.2	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	103.4	172.2	-69.4	-76	0	0	0	109.8	V506 I526 F527 I538 I543 I546 L566 V583 V584 G585 A586	V506-F540 HydrophobicContact CB-CD1 3.9Å; V506-F540 HydrophobicContact CB-CE1 4.04Å; V506-F540 HydrophobicContact CG1-CD1 3.96Å; V506-F540 HydrophobicContact CG1-CE1 3.98Å; V506-F540 HydrophobicContact CG2-CE1 4.35Å; V506-F540 CarbonylContact O-C 3.6Å; V506-F540 WeakPolarHBondContact O-CA 3.37Å; I526-F540 HydrophobicContact CG2-CE1 4.45Å; I526-F540 HydrophobicContact CG2-CZ 4.18Å; F527-F540 HydrophobicContact CE2-CE2 4.11Å; F527-F540 AromaticContact CE2-CZ 3.64Å; F527-F540 HydrophobicContact CE2-CZ 3.64Å; F527-F540 HydrophobicContact CZ-CE2 4.1Å; F527-F540 HydrophobicContact CZ-CZ 4.12Å; I538-F540 HydrophobicContact CB-CE2 4.29Å; I538-F540 HydrophobicContact CG2-CD2 4Å; I538-F540 HydrophobicContact CG2-CE1 4.31Å; I538-F540 HydrophobicContact CG2-CE2 3.45Å; I538-F540 VanDerWaalsContact CG2-CE2 3.45Å; I538-F540 HydrophobicContact CG2-CZ 3.62Å; F540-I543 HydrophobicContact CB-CB 4.26Å; F540-I543 HydrophobicContact CB-CD1 4.15Å; F540-I543 HydrophobicContact CB-CG1 4.11Å; F540-I546 HydrophobicContact CD1-CD1 4.07Å; F540-I546 HydrophobicContact CE1-CD1 4.46Å; F540-L566 HydrophobicContact CE2-CD1 4.41Å; F540-L566 HydrophobicContact CZ-CD1 4.16Å; F540-V583 HydrophobicContact CD2-CG1 3.73Å; F540-V583 HydrophobicContact CE2-CG1 3.75Å; F540-V584 PolarHBondContact N-O 2.91Å; F540-G585 CarbonylContact O-C 3.59Å; F540-G585 WeakPolarHBondContact O-CA 3.21Å; F540-A586 PolarHBondContact O-N 3.25Å
541	D	92	Very high	84.7	Confident	33 Å²	33	37.6 Å²	37.6	18%	0.176	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	144.8	170.7	-149	-10.1	0	0	0	110.2	T489 V506 K507 G508 F539 I543	T489-D541 PolarHBondContact OG1-OD2 3.14Å; V506-D541 PolarHBondContact O-N 3.16Å; K507-D541 HydrophobicContact CG-CB 4.3Å; G508-D541 PolarHBondContact N-O 3.29Å; F539-D541 HydrophobicContact CD1-CB 4.31Å; F539-D541 HydrophobicContact CE1-CB 3.62Å; F539-D541 HydrophobicContact CZ-CB 4.24Å; D541-I543 VanDerWaalsContact C-N 3.32Å; D541-I543 PolarHBondContact O-N 3.39Å
542	E	91.7	Very high	83.5	Confident	80 Å²	80	36.3 Å²	36.3	37%	0.374	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	49.3	-178	-57.7	-177.7	159.5	0	0	113.1	P509 D544 A545 A586	P509-E542 VanDerWaalsContact CD-OE2 3.27Å; P509-E542 WeakPolarHBondContact CD-OE2 3.46Å; P509-E542 WeakPolarHBondContact CG-OE2 3.27Å; E542-D544 PolarHBondContact O-N 3.42Å; E542-D544 VanDerWaalsContact O-N 3.08Å; E542-A545 VanDerWaalsContact O-CB 3.29Å; E542-A545 WeakPolarHBondContact O-CB 3.33Å; E542-A545 PolarHBondContact O-N 3.01Å; E542-A586 PolarHBondContact N-O 3.47Å
543	I	91.6	Very high	82.5	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-22	-175.7	-159.6	177.6	0	0	0	113	L479 F540 D541 A545 I546 C547 A586 I593 L603	L479-I543 HydrophobicContact CD1-CG2 3.88Å; F540-I543 HydrophobicContact CB-CB 4.26Å; F540-I543 HydrophobicContact CB-CD1 4.15Å; F540-I543 HydrophobicContact CB-CG1 4.11Å; D541-I543 VanDerWaalsContact C-N 3.32Å; D541-I543 PolarHBondContact O-N 3.39Å; I543-A545 PolarHBondContact O-N 3.35Å; I543-I546 HydrophobicContact CG1-CD1 3.8Å; I543-I546 HydrophobicContact CG1-CG1 3.83Å; I543-I546 WeakPolarHBondContact O-CG1 3.45Å; I543-I546 PolarHBondContact O-N 3.07Å; I543-C547 PolarHBondContact O-N 3.45Å; I543-A586 PolarHBondContact N-O 2.88Å; I543-I593 HydrophobicContact CG2-CD1 3.62Å; I543-I593 HydrophobicContact CG2-CG1 4.44Å; I543-L603 HydrophobicContact CD1-CD1 3.47Å; I543-L603 VanDerWaalsContact CD1-CD1 3.47Å
544	D	90.5	Very high	81.6	Confident	35 Å²	35	51.2 Å²	51.2	19%	0.187	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-25.2	172.3	49.3	-61	0	0	0	113.2	E542 T587 M592 I593	E542-D544 PolarHBondContact O-N 3.42Å; E542-D544 VanDerWaalsContact O-N 3.08Å; D544-T587 VanDerWaalsContact CG-OG1 3.26Å; D544-T587 PolarHBondContact OD1-OG1 3.11Å; D544-M592 HydrophobicContact CB-CB 4.36Å; D544-I593 HydrophobicContact CB-CG1 3.9Å
545	A	87.1	Confident	80.4	Confident	31 Å²	31	49 Å²	49	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-69.1	-37.3	175.2	0	0	0	0	0	112.7	P509 E542 I543	P509-A545 HydrophobicContact CG-CB 4.43Å; E542-A545 VanDerWaalsContact O-CB 3.29Å; E542-A545 WeakPolarHBondContact O-CB 3.33Å; E542-A545 PolarHBondContact O-N 3.01Å; I543-A545 PolarHBondContact O-N 3.35Å
546	I	85.9	Confident	79.3	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-86.6	-22.8	178.8	56.6	169.7	0	0	0	112.6	G508 V511 F540 I543 P548 L566	G508-I546 WeakPolarHBondContact O-CG2 3.31Å; V511-I546 HydrophobicContact CB-CG2 3.88Å; V511-I546 HydrophobicContact CG1-CG2 4.25Å; V511-I546 HydrophobicContact CG2-CG2 4.25Å; F540-I546 HydrophobicContact CD1-CD1 4.07Å; F540-I546 HydrophobicContact CE1-CD1 4.46Å; I543-I546 HydrophobicContact CG1-CD1 3.8Å; I543-I546 HydrophobicContact CG1-CG1 3.83Å; I543-I546 WeakPolarHBondContact O-CG1 3.45Å; I543-I546 PolarHBondContact O-N 3.07Å; I546-P548 VanDerWaalsContact C-CD 3.47Å; I546-L566 HydrophobicContact CD1-CD2 3.9Å
547	C	85	Confident	78.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.007	29%	0.286	C	S	.	.	S	Bend	trans	-131.9	62.2	-173.1	-63.8	0	0	0	0	113.7	I543 V563 L566 I593 D594 I597	I543-C547 PolarHBondContact O-N 3.45Å; C547-V563 HydrophobicContact CB-CG2 4.01Å; C547-L566 WeakPolarHBondContact SG-CD2 3.26Å; C547-I593 WeakPolarHBondContact O-CA 3.43Å; C547-D594 PolarHBondContact O-N 2.88Å; C547-I597 HydrophobicContact CB-CD1 3.23Å; C547-I597 WeakPolarHBondContact SG-CD1 3.17Å
548	P	83	Confident	77.4	Confident	20 Å²	20	54.5 Å²	54.5	13%	0.13	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-68.3	152.4	176.4	31	-35.5	0	0	0	111.1	I546 R559 M592	I546-P548 VanDerWaalsContact C-CD 3.47Å; P548-R559 HydrophobicContact CG-CB 4.46Å; P548-M592 CarbonylContact C-O 3.47Å; P548-M592 VanDerWaalsContact CA-O 3.3Å; P548-M592 WeakPolarHBondContact CA-O 3.49Å
549	R	82	Confident	76.6	Confident	122 Å²	122	59.5 Å²	59.5	46%	0.46	32%	0.316	S	S	.	.			trans	-59.9	133.8	175	-170	171.6	172.8	172.7	-3.5	111.4	D551 S552 M592	R549-D551 HydrophobicContact CG-CB 4.45Å; R549-D551 IonicContact CZ-OD2 3.93Å; R549-D551 VanDerWaalsContact CZ-OD2 3.31Å; R549-D551 IonicContact NE-OD2 2.87Å; R549-D551 PolarHBondContact NE-OD2 3.03Å; R549-D551 IonicContact NH2-OD2 2.71Å; R549-D551 PolarHBondContact NH2-OD2 3.46Å; R549-D551 PolarHBondContact O-N 2.71Å; R549-S552 PolarHBondContact O-OG 3.44Å; R549-M592 PolarHBondContact N-O 3.23Å
550	R	71	Confident	76	Confident	105 Å²	105	61.5 Å²	61.5	40%	0.396	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.3	-174.2	-61.3	-176.6	-171.9	-154.2	-8.5	114.7	S552 N564 D594	R550-S552 PolarHBondContact O-N 3.17Å; R550-N564 PolarHBondContact NH2-OD1 3.34Å; R550-D594 IonicContact CZ-OD2 3.9Å; R550-D594 IonicContact NE-OD2 3.31Å; R550-D594 PolarHBondContact NE-OD2 2.92Å; R550-D594 IonicContact NH2-OD2 2.78Å; R550-D594 PolarHBondContact NH2-OD2 3.31Å
551	D	66.1	Low	75.5	Confident	112 Å²	112	63.6 Å²	63.6	60%	0.599	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.8	-174.6	-55.5	-23.6	0	0	0	113.4	R549 D553	R549-D551 HydrophobicContact CG-CB 4.45Å; R549-D551 IonicContact CZ-OD2 3.93Å; R549-D551 VanDerWaalsContact CZ-OD2 3.31Å; R549-D551 IonicContact NE-OD2 2.87Å; R549-D551 PolarHBondContact NE-OD2 3.03Å; R549-D551 IonicContact NH2-OD2 2.71Å; R549-D551 PolarHBondContact NH2-OD2 3.46Å; R549-D551 PolarHBondContact O-N 2.71Å; D551-D553 PolarHBondContact O-N 3.38Å
552	S	58.8	Low	75.2	Confident	59 Å²	59	62.4 Å²	62.4	41%	0.413	34%	0.337	S	S	.	.	S	Bend	trans	-81.1	111.4	172	56.1	0	0	0	0	109.9	R549 R550 E554 S555	R549-S552 PolarHBondContact O-OG 3.44Å; R550-S552 PolarHBondContact O-N 3.17Å; S552-E554 PolarHBondContact O-N 3.16Å; S552-S555 PolarHBondContact O-N 3.47Å; S552-S555 PolarHBondContact O-OG 3.08Å
553	D	54	Low	75	Confident	175 Å²	175	58.7 Å²	58.7	94%	0.936	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-6.8	-173.8	-76.4	-36.4	0	0	0	115.8	D551	D551-D553 PolarHBondContact O-N 3.38Å
554	E	55.7	Low	74.9	Confident	177 Å²	177	61.8 Å²	61.8	83%	0.827	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	17.6	177.8	-72.4	-168.8	147	0	0	114.1	S552 T556	S552-E554 PolarHBondContact O-N 3.16Å; E554-T556 VanDerWaalsContact C-N 3.31Å; E554-T556 PolarHBondContact O-N 2.92Å
555	S	54.9	Low	74.9	Confident	28 Å²	28	61.4 Å²	61.4	20%	0.196	33%	0.333	C	S	.	.			trans	-64.8	95.1	173.4	63.9	0	0	0	0	110.1	S552 G557	S552-S555 PolarHBondContact O-N 3.47Å; S552-S555 PolarHBondContact O-OG 3.08Å; S555-G557 PolarHBondContact O-N 3.48Å
556	T	59.9	Low	75.1	Confident	68 Å²	68	60 Å²	60	42%	0.417	32%	0.321	S	S	.	.			trans	-42.5	126.4	175.5	-37.6	0	0	0	0	108	E554 S558 R559	E554-T556 VanDerWaalsContact C-N 3.31Å; E554-T556 PolarHBondContact O-N 2.92Å; T556-S558 CarbonylContact O-C 3.53Å; T556-S558 PolarHBondContact O-N 3.38Å; T556-R559 PolarHBondContact O-N 3.37Å
557	G	67.9	Low	75.3	Confident	58 Å²	58	60.5 Å²	60.5	60%	0.598	32%	0.324	S	S	*	.	H	α-helix	trans	-50.1	-21.2	-173.5	0	0	0	0	0	114.9	S555 R559 V560 S561	S555-G557 PolarHBondContact O-N 3.48Å; G557-R559 PolarHBondContact O-N 3.28Å; G557-V560 PolarHBondContact O-N 2.89Å; G557-S561 PolarHBondContact O-N 3.31Å
558	S	69.6	Low	75.5	Confident	34 Å²	34	64.9 Å²	64.9	24%	0.238	35%	0.35	C	S	.	.	H	α-helix	trans	-56.4	-42.1	168.7	59.7	0	0	0	0	114.1	T556 S561 L562	T556-S558 CarbonylContact O-C 3.53Å; T556-S558 PolarHBondContact O-N 3.38Å; S558-S561 PolarHBondContact O-N 3.26Å; S558-L562 WeakPolarHBondContact O-CG 3.26Å; S558-L562 PolarHBondContact O-N 2.99Å; S558-L562 VanDerWaalsContact O-N 3.1Å
559	R	75.2	Confident	75.9	Confident	105 Å²	105	64.8 Å²	64.8	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-69.6	-39	-179.5	-61.5	-173.9	-166.6	158	4	112.2	P548 T556 G557 S561 L562 V563	P548-R559 HydrophobicContact CG-CB 4.46Å; T556-R559 PolarHBondContact O-N 3.37Å; G557-R559 PolarHBondContact O-N 3.28Å; R559-S561 VanDerWaalsContact C-N 3.31Å; R559-S561 PolarHBondContact O-N 3.25Å; R559-L562 WeakPolarHBondContact O-CB 3.4Å; R559-L562 PolarHBondContact O-N 3.26Å; R559-V563 WeakPolarHBondContact O-CG2 3.49Å; R559-V563 PolarHBondContact O-N 3.14Å
560	V	80.1	Confident	76.2	Confident	42 Å²	42	59.4 Å²	59.4	26%	0.255	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-41.7	177.1	178.5	0	0	0	0	110.7	G557 L562 V563 N564	G557-V560 PolarHBondContact O-N 2.89Å; V560-L562 VanDerWaalsContact C-N 3.35Å; V560-V563 PolarHBondContact O-N 2.74Å; V560-N564 VanDerWaalsContact O-CG 3.3Å; V560-N564 PolarHBondContact O-N 2.91Å; V560-N564 VanDerWaalsContact O-N 3.09Å; V560-N564 PolarHBondContact O-ND2 3.17Å
561	S	82.6	Confident	77	Confident	45 Å²	45	57 Å²	57	32%	0.315	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-37.8	176.9	-163.6	0	0	0	0	112.4	E520 G557 S558 R559 N564 Q565	E520-S561 VanDerWaalsContact CD-OG 3.27Å; E520-S561 WeakPolarHBondContact OE1-CB 3.38Å; E520-S561 PolarHBondContact OE1-OG 3.36Å; G557-S561 PolarHBondContact O-N 3.31Å; S558-S561 PolarHBondContact O-N 3.26Å; R559-S561 VanDerWaalsContact C-N 3.31Å; R559-S561 PolarHBondContact O-N 3.25Å; S561-N564 PolarHBondContact O-N 2.88Å; S561-Q565 PolarHBondContact O-N 2.78Å
562	L	86.1	Confident	77.9	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-46.3	173.2	-72.1	169.7	0	0	0	113.3	L512 E520 I523 S558 R559 V560 N564 Q565 L566	L512-L562 HydrophobicContact CD2-CD1 3.92Å; E520-L562 HydrophobicContact CB-CD2 4.21Å; E520-L562 HydrophobicContact CG-CD2 3.57Å; E520-L562 HydrophobicContact CG-CG 4.25Å; E520-L562 VanDerWaalsContact N-CD2 3.28Å; I523-L562 HydrophobicContact CD1-CB 4.39Å; I523-L562 HydrophobicContact CD1-CD2 3.88Å; S558-L562 WeakPolarHBondContact O-CG 3.26Å; S558-L562 PolarHBondContact O-N 2.99Å; S558-L562 VanDerWaalsContact O-N 3.1Å; R559-L562 WeakPolarHBondContact O-CB 3.4Å; R559-L562 PolarHBondContact O-N 3.26Å; V560-L562 VanDerWaalsContact C-N 3.35Å; L562-N564 VanDerWaalsContact C-N 3.29Å; L562-N564 PolarHBondContact O-N 3.5Å; L562-Q565 PolarHBondContact O-N 3.02Å; L562-L566 PolarHBondContact O-N 2.76Å
563	V	88.5	Confident	78.8	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-57.3	-47.6	175.2	173.2	0	0	0	0	110	C547 R559 V560 Q565 L566 L567 D594 I597	C547-V563 HydrophobicContact CB-CG2 4.01Å; R559-V563 WeakPolarHBondContact O-CG2 3.49Å; R559-V563 PolarHBondContact O-N 3.14Å; V560-V563 PolarHBondContact O-N 2.74Å; V563-Q565 VanDerWaalsContact C-N 3.33Å; V563-Q565 PolarHBondContact O-N 3.31Å; V563-L566 PolarHBondContact O-N 3.39Å; V563-L567 HydrophobicContact CG1-CD1 4.16Å; V563-L567 HydrophobicContact CG1-CG 4.3Å; V563-L567 VanDerWaalsContact O-CG 3.28Å; V563-L567 WeakPolarHBondContact O-CG 3.27Å; V563-L567 PolarHBondContact O-N 2.73Å; V563-D594 HydrophobicContact CG1-CB 4.36Å; V563-D594 WeakPolarHBondContact CG1-OD2 3.24Å; V563-I597 HydrophobicContact CG1-CD1 4.26Å
564	N	89.5	Confident	79.6	Confident	68 Å²	68	43.5 Å²	43.5	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-62.4	-40.4	-179.9	-67.3	-25.6	0	0	0	112	R550 V560 S561 L562 L567 V568	R550-N564 PolarHBondContact NH2-OD1 3.34Å; V560-N564 VanDerWaalsContact O-CG 3.3Å; V560-N564 PolarHBondContact O-N 2.91Å; V560-N564 VanDerWaalsContact O-N 3.09Å; V560-N564 PolarHBondContact O-ND2 3.17Å; S561-N564 PolarHBondContact O-N 2.88Å; L562-N564 VanDerWaalsContact C-N 3.29Å; L562-N564 PolarHBondContact O-N 3.5Å; N564-L567 WeakPolarHBondContact O-CB 3.4Å; N564-L567 PolarHBondContact O-N 3Å; N564-V568 WeakPolarHBondContact O-CG2 3.34Å; N564-V568 PolarHBondContact O-N 3.16Å
565	Q	89.3	Confident	80.2	Confident	27 Å²	27	42.9 Å²	42.9	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-42.5	175.3	-176.5	59.9	44.6	0	0	111.5	E520 I523 S561 L562 V563 L567 V568 E569	E520-Q565 HydrophobicContact CB-CB 4.47Å; E520-Q565 HydrophobicContact CB-CG 4.29Å; E520-Q565 HydrophobicContact CG-CB 4.35Å; I523-Q565 HydrophobicContact CB-CG 4.31Å; I523-Q565 HydrophobicContact CG2-CG 4.19Å; S561-Q565 PolarHBondContact O-N 2.78Å; L562-Q565 PolarHBondContact O-N 3.02Å; V563-Q565 VanDerWaalsContact C-N 3.33Å; V563-Q565 PolarHBondContact O-N 3.31Å; Q565-L567 VanDerWaalsContact C-N 3.33Å; Q565-L567 PolarHBondContact O-N 2.87Å; Q565-V568 PolarHBondContact O-N 2.8Å; Q565-E569 PolarHBondContact NE2-OE1 2.9Å; Q565-E569 VanDerWaalsContact NE2-OE1 3.11Å; Q565-E569 PolarHBondContact O-N 2.9Å; Q565-E569 VanDerWaalsContact O-N 3.09Å
566	L	91	Very high	80.4	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-42	174.9	-175.8	65	0	0	0	111.7	I523 F527 F540 I546 C547 L562 V563 V568 E569 L570 I597	I523-L566 HydrophobicContact CD1-CB 4.41Å; I523-L566 HydrophobicContact CG2-CB 4.48Å; I523-L566 HydrophobicContact CG2-CD1 4.15Å; F527-L566 HydrophobicContact CE2-CD1 3.54Å; F527-L566 HydrophobicContact CZ-CD1 3.72Å; F540-L566 HydrophobicContact CE2-CD1 4.41Å; F540-L566 HydrophobicContact CZ-CD1 4.16Å; I546-L566 HydrophobicContact CD1-CD2 3.9Å; C547-L566 WeakPolarHBondContact SG-CD2 3.26Å; L562-L566 PolarHBondContact O-N 2.76Å; V563-L566 PolarHBondContact O-N 3.39Å; L566-V568 VanDerWaalsContact C-N 3.35Å; L566-V568 PolarHBondContact O-N 3.5Å; L566-E569 PolarHBondContact O-N 3.41Å; L566-L570 HydrophobicContact CD1-CG 4.46Å; L566-L570 HydrophobicContact CG-CD1 4.09Å; L566-L570 HydrophobicContact CG-CG 4.41Å; L566-L570 WeakPolarHBondContact O-CB 3.45Å; L566-L570 WeakPolarHBondContact O-CG 2.89Å; L566-L570 PolarHBondContact O-N 3.02Å; L566-I597 HydrophobicContact CD2-CD1 4.19Å
567	L	91.1	Very high	80.2	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-42.5	176.7	-69.6	-178.6	0	0	0	112.3	V563 N564 Q565 L570 D571 A596 I597	V563-L567 HydrophobicContact CG1-CD1 4.16Å; V563-L567 HydrophobicContact CG1-CG 4.3Å; V563-L567 VanDerWaalsContact O-CG 3.28Å; V563-L567 WeakPolarHBondContact O-CG 3.27Å; V563-L567 PolarHBondContact O-N 2.73Å; N564-L567 WeakPolarHBondContact O-CB 3.4Å; N564-L567 PolarHBondContact O-N 3Å; Q565-L567 VanDerWaalsContact C-N 3.33Å; Q565-L567 PolarHBondContact O-N 2.87Å; L567-L570 PolarHBondContact O-N 2.96Å; L567-D571 WeakPolarHBondContact O-CB 3.37Å; L567-D571 VanDerWaalsContact O-CG 3.24Å; L567-D571 PolarHBondContact O-N 2.83Å; L567-A596 HydrophobicContact CD1-CB 3.92Å; L567-I597 HydrophobicContact CD2-CB 4.31Å; L567-I597 HydrophobicContact CD2-CG1 3.46Å; L567-I597 VanDerWaalsContact CD2-CG1 3.46Å; L567-I597 HydrophobicContact CG-CG1 4.32Å
568	V	90.1	Very high	79.6	Confident	93 Å²	93	52.5 Å²	52.5	56%	0.564	27%	0.272	S	S	*	.	H	α-helix	trans	-62.5	-43	177.2	169.7	0	0	0	0	111.2	N564 Q565 L566 G572	N564-V568 WeakPolarHBondContact O-CG2 3.34Å; N564-V568 PolarHBondContact O-N 3.16Å; Q565-V568 PolarHBondContact O-N 2.8Å; L566-V568 VanDerWaalsContact C-N 3.35Å; L566-V568 PolarHBondContact O-N 3.5Å; V568-G572 PolarHBondContact O-N 2.89Å
569	E	89.9	Confident	79.4	Confident	19 Å²	19	51.2 Å²	51.2	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-68.5	-42.5	178.3	-68.7	-61.8	149.8	0	0	112.4	I523 F527 R531 Q565 L566 G572 I573	I523-E569 HydrophobicContact CG2-CG 4.21Å; F527-E569 HydrophobicContact CB-CB 4.25Å; F527-E569 HydrophobicContact CB-CG 4.16Å; F527-E569 WeakPolarHBondContact CB-OE2 3.5Å; F527-E569 HydrophobicContact CD1-CB 3.59Å; F527-E569 HydrophobicContact CD1-CG 4.41Å; F527-E569 HydrophobicContact CD2-CB 3.77Å; F527-E569 HydrophobicContact CD2-CG 4.02Å; F527-E569 HydrophobicContact CE1-CB 3.71Å; F527-E569 HydrophobicContact CE2-CB 3.89Å; F527-E569 HydrophobicContact CE2-CG 4.48Å; F527-E569 HydrophobicContact CG-CB 3.61Å; F527-E569 HydrophobicContact CG-CG 3.96Å; F527-E569 HydrophobicContact CZ-CB 3.86Å; R531-E569 IonicContact CZ-OE2 4Å; R531-E569 IonicContact NH2-OE2 2.9Å; R531-E569 PolarHBondContact NH2-OE2 3.24Å; Q565-E569 PolarHBondContact NE2-OE1 2.9Å; Q565-E569 VanDerWaalsContact NE2-OE1 3.11Å; Q565-E569 PolarHBondContact O-N 2.9Å; Q565-E569 VanDerWaalsContact O-N 3.09Å; L566-E569 PolarHBondContact O-N 3.41Å; E569-G572 WeakPolarHBondContact O-CA 3.4Å; E569-G572 PolarHBondContact O-N 2.78Å; E569-G572 VanDerWaalsContact O-N 3.09Å; E569-I573 PolarHBondContact O-N 2.89Å
570	L	89.8	Confident	79.7	Confident	9 Å²	9	51 Å²	51	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-46	175.8	-72.4	174	0	0	0	112	F527 L566 L567 G572 I573 V583 I597 R602	F527-L570 HydrophobicContact CE1-CD2 4.09Å; F527-L570 HydrophobicContact CE1-CG 4.5Å; F527-L570 HydrophobicContact CZ-CD2 3.92Å; F527-L570 HydrophobicContact CZ-CG 4.19Å; L566-L570 HydrophobicContact CD1-CG 4.46Å; L566-L570 HydrophobicContact CG-CD1 4.09Å; L566-L570 HydrophobicContact CG-CG 4.41Å; L566-L570 WeakPolarHBondContact O-CB 3.45Å; L566-L570 WeakPolarHBondContact O-CG 2.89Å; L566-L570 PolarHBondContact O-N 3.02Å; L567-L570 PolarHBondContact O-N 2.96Å; L570-G572 PolarHBondContact O-N 3.26Å; L570-I573 PolarHBondContact O-N 3.28Å; L570-V583 HydrophobicContact CD2-CB 4.2Å; L570-V583 HydrophobicContact CD2-CG1 4.05Å; L570-V583 HydrophobicContact CD2-CG2 3.95Å; L570-I597 HydrophobicContact CD1-CG2 4.31Å; L570-R602 HydrophobicContact CB-CG 4.32Å; L570-R602 HydrophobicContact CD1-CB 4.28Å
571	D	87.6	Confident	80.1	Confident	54 Å²	54	49.1 Å²	49.1	29%	0.289	25%	0.252	S	S	.	.	H	α-helix	trans	-66.9	-25.5	175.4	-67.4	-14.7	0	0	0	111.4	L567 K575 R602	L567-D571 WeakPolarHBondContact O-CB 3.37Å; L567-D571 VanDerWaalsContact O-CG 3.24Å; L567-D571 PolarHBondContact O-N 2.83Å; D571-K575 VanDerWaalsContact O-CG 3.32Å; D571-K575 WeakPolarHBondContact O-CG 3.45Å; D571-K575 PolarHBondContact O-N 3.43Å; D571-R602 WeakPolarHBondContact OD1-CG 3.46Å; D571-R602 IonicContact OD1-CZ 2.72Å; D571-R602 IonicContact OD1-NE 3.44Å; D571-R602 PolarHBondContact OD1-NE 3.43Å; D571-R602 IonicContact OD1-NH2 3.76Å; D571-R602 PolarHBondContact OD1-NH2 3.29Å; D571-R602 IonicContact OD2-CZ 3.25Å; D571-R602 IonicContact OD2-NE 2.75Å; D571-R602 IonicContact OD2-NH2 2.9Å; D571-R602 PolarHBondContact OD2-NH2 3.4Å
572	G	83.4	Confident	80.5	Confident	18 Å²	18	47 Å²	47	19%	0.186	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-42	176.5	0	0	0	0	0	113.5	V568 E569 L570 D574 K575 H576	V568-G572 PolarHBondContact O-N 2.89Å; E569-G572 WeakPolarHBondContact O-CA 3.4Å; E569-G572 PolarHBondContact O-N 2.78Å; E569-G572 VanDerWaalsContact O-N 3.09Å; L570-G572 PolarHBondContact O-N 3.26Å; G572-D574 VanDerWaalsContact C-N 3.33Å; G572-D574 PolarHBondContact O-N 2.93Å; G572-K575 PolarHBondContact O-N 3.42Å; G572-H576 PolarHBondContact O-CD2 2.97Å; G572-H576 PolarHBondContact O-N 2.94Å; G572-H576 VanDerWaalsContact O-N 3.1Å
573	I	79.7	Confident	80.8	Confident	12 Å²	12	47 Å²	47	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-47.7	176.1	-66.8	178.3	0	0	0	110.4	F527 E569 L570 K575 H576 V581 V583	F527-I573 HydrophobicContact CD1-CD1 3.53Å; F527-I573 HydrophobicContact CD1-CG1 3.97Å; F527-I573 HydrophobicContact CE1-CD1 3.36Å; F527-I573 HydrophobicContact CE1-CG1 4.1Å; E569-I573 PolarHBondContact O-N 2.89Å; L570-I573 PolarHBondContact O-N 3.28Å; I573-K575 VanDerWaalsContact C-N 3.3Å; I573-K575 PolarHBondContact O-N 3.43Å; I573-H576 CarbonylContact O-C 3.5Å; I573-H576 PolarHBondContact O-N 3.26Å; I573-V581 HydrophobicContact CD1-CB 4.06Å; I573-V581 HydrophobicContact CD1-CG1 3.69Å; I573-V581 HydrophobicContact CG1-CB 4.49Å; I573-V581 HydrophobicContact CG2-CB 4.22Å; I573-V581 WeakPolarHBondContact CG2-O 3.39Å; I573-V583 HydrophobicContact CD1-CG2 3.73Å
574	D	70.5	Confident	81.1	Confident	33 Å²	33	46.9 Å²	46.9	18%	0.176	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-29.4	-177.3	-101.2	7.4	0	0	0	113.1	S475 G572 G601	S475-D574 WeakPolarHBondContact CA-OD1 3.33Å; S475-D574 PolarHBondContact N-OD1 3.23Å; S475-D574 VanDerWaalsContact N-OD1 3.12Å; S475-D574 PolarHBondContact OG-OD1 2.93Å; G572-D574 VanDerWaalsContact C-N 3.33Å; G572-D574 PolarHBondContact O-N 2.93Å; D574-G601 VanDerWaalsContact OD2-O 3.08Å
575	K	68	Low	81.4	Confident	163 Å²	163	43.7 Å²	43.7	71%	0.709	22%	0.22	S	C	*	.	H	α-helix	trans	-73.8	-41	176.2	-73.8	171.5	-173.2	174.7	0	111.9	D571 G572 I573 R577	D571-K575 VanDerWaalsContact O-CG 3.32Å; D571-K575 WeakPolarHBondContact O-CG 3.45Å; D571-K575 PolarHBondContact O-N 3.43Å; G572-K575 PolarHBondContact O-N 3.42Å; I573-K575 VanDerWaalsContact C-N 3.3Å; I573-K575 PolarHBondContact O-N 3.43Å; K575-R577 PolarHBondContact O-N 2.75Å
576	H	59.7	Low	81.6	Confident	124 Å²	124	42.4 Å²	42.4	57%	0.574	21%	0.214	S	C	*	.			trans	-78.6	71.5	173.9	-66.6	-61.5	0	0	0	109.2	G572 I573 S578 G579	G572-H576 PolarHBondContact O-CD2 2.97Å; G572-H576 PolarHBondContact O-N 2.94Å; G572-H576 VanDerWaalsContact O-N 3.1Å; I573-H576 CarbonylContact O-C 3.5Å; I573-H576 PolarHBondContact O-N 3.26Å; H576-S578 PolarHBondContact O-N 3.3Å; H576-G579 PolarHBondContact O-N 2.95Å
577	R	54.9	Low	81.8	Confident	130 Å²	130	42.4 Å²	42.4	49%	0.491	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-22	-179.1	-60	-175.4	-164.2	-129.2	6.6	114.1	W465 Q469 H472 K575 G579	W465-R577 WeakPolarHBondContact CH2-O 3.46Å; W465-R577 WeakPolarHBondContact CZ2-O 3.45Å; Q469-R577 PolarHBondContact NE2-O 2.9Å; H472-R577 PolarHBondContact CD2-NH1 3.25Å; K575-R577 PolarHBondContact O-N 2.75Å; R577-G579 VanDerWaalsContact C-N 3.28Å
578	S	55.7	Low	81.9	Confident	102 Å²	102	44.9 Å²	44.9	71%	0.713	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-14.6	175.7	-50	0	0	0	0	113.9	H576	H576-S578 PolarHBondContact O-N 3.3Å
579	G	65.4	Low	81.9	Confident	8 Å²	8	46 Å²	46	8%	0.082	22%	0.222	C	C	.	.			trans	-85	119.7	-174	0	0	0	0	0	113.1	Q534 H576 R577 V581	Q534-G579 VanDerWaalsContact NE2-CA 3.26Å; H576-G579 PolarHBondContact O-N 2.95Å; R577-G579 VanDerWaalsContact C-N 3.28Å; G579-V581 VanDerWaalsContact C-N 3.25Å; G579-V581 PolarHBondContact O-N 2.79Å; G579-V581 VanDerWaalsContact O-N 3.14Å
580	R	81.8	Confident	81.8	Confident	100 Å²	100	48.1 Å²	48.1	38%	0.377	23%	0.231	S	C	.	.			trans	-86.9	58	173.8	-63	-178.5	179.9	-178.9	-1	111.5	W465 Q534 P535 C536	W465-R580 HydrophobicContact CD2-CG 4.29Å; W465-R580 HydrophobicContact CE3-CG 4.15Å; W465-R580 HydrophobicContact CH2-CG 3.93Å; W465-R580 HydrophobicContact CZ2-CG 4.06Å; W465-R580 HydrophobicContact CZ3-CG 3.99Å; Q534-R580 HydrophobicContact CB-CB 4.45Å; P535-R580 CarbonylContact C-O 3.52Å; P535-R580 VanDerWaalsContact CA-O 3.31Å; P535-R580 WeakPolarHBondContact CA-O 3.48Å; P535-R580 HydrophobicContact CB-CB 3.7Å; C536-R580 PolarHBondContact N-O 3.1Å
581	V	87.8	Confident	81.8	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.3	176.6	-174.4	0	0	0	0	109.4	A530 R531 Q534 C536 I538 I573 G579	A530-V581 HydrophobicContact CB-CG1 3.88Å; A530-V581 HydrophobicContact CB-CG2 4.45Å; R531-V581 HydrophobicContact CG-CG2 4.17Å; Q534-V581 HydrophobicContact CG-CG2 3.63Å; Q534-V581 VanDerWaalsContact NE2-CG2 3.34Å; C536-V581 CarbonylContact O-C 3.58Å; C536-V581 WeakPolarHBondContact O-CA 3.17Å; I538-V581 HydrophobicContact CD1-CG1 3.76Å; I538-V581 HydrophobicContact CG1-CG1 3.95Å; I573-V581 HydrophobicContact CD1-CB 4.06Å; I573-V581 HydrophobicContact CD1-CG1 3.69Å; I573-V581 HydrophobicContact CG1-CB 4.49Å; I573-V581 HydrophobicContact CG2-CB 4.22Å; I573-V581 WeakPolarHBondContact CG2-O 3.39Å; G579-V581 VanDerWaalsContact C-N 3.25Å; G579-V581 PolarHBondContact O-N 2.79Å; G579-V581 VanDerWaalsContact O-N 3.14Å
582	F	90.7	Very high	81.9	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.1	179.5	-56.7	-72.1	0	0	0	109.4	F458 L461 I462 L501 C536 L537 I538	F458-F582 HydrophobicContact CD1-CB 3.91Å; F458-F582 AromaticContact CD1-CD1 3.4Å; F458-F582 HydrophobicContact CD1-CD1 3.4Å; F458-F582 VanDerWaalsContact CD1-CD1 3.4Å; F458-F582 HydrophobicContact CD1-CE1 4.14Å; F458-F582 AromaticContact CD1-CG 3.83Å; F458-F582 HydrophobicContact CD1-CG 3.83Å; F458-F582 HydrophobicContact CE1-CB 3.72Å; F458-F582 AromaticContact CE1-CD1 3.79Å; F458-F582 HydrophobicContact CE1-CD1 3.79Å; F458-F582 HydrophobicContact CE1-CG 4.11Å; F458-F582 HydrophobicContact CG-CD1 4.48Å; F458-F582 HydrophobicContact CZ-CB 4.44Å; L461-F582 HydrophobicContact CB-CE1 4.08Å; L461-F582 HydrophobicContact CB-CZ 4.3Å; L461-F582 HydrophobicContact CD1-CE1 3.86Å; I462-F582 HydrophobicContact CD1-CD2 4.4Å; I462-F582 HydrophobicContact CD1-CE2 3.72Å; I462-F582 HydrophobicContact CD1-CZ 3.99Å; I462-F582 HydrophobicContact CG1-CE2 3.61Å; I462-F582 HydrophobicContact CG1-CZ 3.53Å; L501-F582 HydrophobicContact CD1-CD2 3.71Å; L501-F582 HydrophobicContact CD1-CE2 4.16Å; L501-F582 HydrophobicContact CD2-CD2 4.06Å; L501-F582 HydrophobicContact CD2-CE2 3.92Å; C536-F582 PolarHBondContact O-N 2.91Å; L537-F582 CarbonylContact C-O 3.52Å; L537-F582 WeakPolarHBondContact CA-O 3.47Å; L537-F582 HydrophobicContact CD1-CB 4.11Å; I538-F582 PolarHBondContact N-O 3.3Å
583	V	93.1	Very high	82.2	Confident	6 Å²	6	52.1 Å²	52.1	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.9	-178.7	-173.7	0	0	0	0	110.4	G477 V478 F527 I538 F540 L570 I573 L603	G477-V583 CarbonylContact C-O 3.4Å; G477-V583 WeakPolarHBondContact CA-O 3.3Å; V478-V583 PolarHBondContact N-O 3.09Å; F527-V583 HydrophobicContact CE1-CG2 4.37Å; I538-V583 HydrophobicContact CB-CG2 4.47Å; I538-V583 HydrophobicContact CD1-CG2 4.37Å; I538-V583 WeakPolarHBondContact O-CA 3.48Å; F540-V583 HydrophobicContact CD2-CG1 3.73Å; F540-V583 HydrophobicContact CE2-CG1 3.75Å; L570-V583 HydrophobicContact CD2-CB 4.2Å; L570-V583 HydrophobicContact CD2-CG1 4.05Å; L570-V583 HydrophobicContact CD2-CG2 3.95Å; I573-V583 HydrophobicContact CD1-CG2 3.73Å; V583-L603 HydrophobicContact CB-CD2 4.48Å; V583-L603 HydrophobicContact CG1-CD2 4.04Å
584	V	94.5	Very high	82.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.3	172.2	-179.9	0	0	0	0	108.1	F458 V478 L480 A492 L495 L537 I538 F539 F540	F458-V584 HydrophobicContact CE2-CG2 3.68Å; F458-V584 HydrophobicContact CZ-CG2 3.76Å; V478-V584 HydrophobicContact CB-CG2 4.49Å; V478-V584 CarbonylContact O-C 3.53Å; V478-V584 VanDerWaalsContact O-CA 3.28Å; V478-V584 WeakPolarHBondContact O-CA 3.44Å; L480-V584 HydrophobicContact CD1-CG1 3.83Å; L480-V584 HydrophobicContact CG-CG1 3.87Å; A492-V584 HydrophobicContact CB-CG1 4.33Å; L495-V584 HydrophobicContact CD2-CG2 4.42Å; L537-V584 HydrophobicContact CD1-CG2 3.87Å; L537-V584 HydrophobicContact CD2-CG2 4.27Å; L537-V584 HydrophobicContact CG-CG2 4.26Å; I538-V584 PolarHBondContact O-N 3.26Å; F539-V584 CarbonylContact C-O 3.54Å; F539-V584 VanDerWaalsContact CA-O 3.27Å; F539-V584 WeakPolarHBondContact CA-O 3.45Å; F539-V584 HydrophobicContact CD2-CB 4.18Å; F539-V584 HydrophobicContact CD2-CG1 3.97Å; F539-V584 HydrophobicContact CE2-CG1 4.24Å; F540-V584 PolarHBondContact N-O 2.91Å
585	G	94.9	Very high	83.7	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	147.6	169.4	0	0	0	0	0	110.6	V478 L479 L480 F540	V478-G585 PolarHBondContact O-N 2.86Å; L479-G585 CarbonylContact C-O 3.52Å; L479-G585 WeakPolarHBondContact CA-O 3.49Å; L480-G585 PolarHBondContact N-O 3.22Å; F540-G585 CarbonylContact O-C 3.59Å; F540-G585 WeakPolarHBondContact O-CA 3.21Å
586	A	95	Very high	84.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.5	169.5	0	0	0	0	0	110.3	L480 K488 F539 F540 E542 I543	L480-A586 HydrophobicContact CB-CB 4.43Å; L480-A586 CarbonylContact O-C 3.52Å; L480-A586 WeakPolarHBondContact O-CA 3.48Å; K488-A586 HydrophobicContact CB-CB 4.14Å; K488-A586 HydrophobicContact CD-CB 4.29Å; F539-A586 HydrophobicContact CE2-CB 3.72Å; F539-A586 HydrophobicContact CZ-CB 3.6Å; F540-A586 PolarHBondContact O-N 3.25Å; E542-A586 PolarHBondContact N-O 3.47Å; I543-A586 PolarHBondContact N-O 2.88Å
587	T	94.2	Very high	86.2	Confident	1 Å²	1	41 Å²	41	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.6	175	-172.2	0	0	0	0	111.4	L479 L480 G482 D544 R589 K590 I593	L479-T587 HydrophobicContact CD1-CG2 4.06Å; L479-T587 HydrophobicContact CD2-CG2 4.33Å; L479-T587 HydrophobicContact CG-CG2 4.33Å; L480-T587 PolarHBondContact O-N 3.12Å; G482-T587 PolarHBondContact N-O 2.96Å; D544-T587 VanDerWaalsContact CG-OG1 3.26Å; D544-T587 PolarHBondContact OD1-OG1 3.11Å; T587-R589 PolarHBondContact OG1-N 3.49Å; T587-R589 PolarHBondContact OG1-O 2.71Å; T587-K590 HydrophobicContact CG2-CB 4.48Å; T587-I593 HydrophobicContact CG2-CD1 3.55Å
588	N	92.7	Very high	88	Confident	65 Å²	65	36.4 Å²	36.4	35%	0.348	19%	0.19	S	C	.	.	S	Bend	trans	-91	-15	166.4	-60.3	-42.4	0	0	0	112.1	G482 K488	G482-N588 WeakPolarHBondContact O-CA 3.46Å; G482-N588 PolarHBondContact O-OD1 2.92Å; K488-N588 VanDerWaalsContact CE-OD1 3.25Å; K488-N588 WeakPolarHBondContact CE-OD1 3.04Å; K488-N588 PolarHBondContact NZ-OD1 3.48Å
589	R	89.7	Confident	89.6	Confident	117 Å²	117	39.3 Å²	39.3	44%	0.442	19%	0.186	S	C	.	.			trans	-140.7	80.6	-166	-65.6	-168.2	67.1	-172.5	-2.3	111.6	T587 D591 M592	T587-R589 PolarHBondContact OG1-N 3.49Å; T587-R589 PolarHBondContact OG1-O 2.71Å; R589-D591 VanDerWaalsContact C-OD1 3.25Å; R589-D591 VanDerWaalsContact CA-OD1 3.29Å; R589-D591 WeakPolarHBondContact CA-OD1 3.43Å; R589-D591 WeakPolarHBondContact CB-OD1 3.47Å; R589-D591 IonicContact CZ-OD2 3.95Å; R589-D591 IonicContact NE-OD1 2.65Å; R589-D591 IonicContact NE-OD2 3.66Å; R589-D591 IonicContact NH2-OD2 3.08Å; R589-D591 PolarHBondContact NH2-OD2 3.17Å; R589-D591 VanDerWaalsContact NH2-OD2 3.09Å; R589-D591 PolarHBondContact O-N 3.11Å; R589-M592 HydrophobicContact CB-CB 4.21Å; R589-M592 HydrophobicContact CB-CG 4.04Å; R589-M592 VanDerWaalsContact NH2-CG 3.33Å; R589-M592 PolarHBondContact NH2-SD 2.89Å; R589-M592 PolarHBondContact O-N 3.47Å
590	K	89	Confident	90.6	Very high	64 Å²	64	44.5 Å²	44.5	28%	0.278	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-64.4	-28.8	177.3	179.4	173.5	177.1	-174.7	0	113.3	E481 T587 M592 I593 L598	E481-K590 HydrophobicContact CG-CB 4.22Å; E481-K590 HydrophobicContact CG-CD 4.41Å; E481-K590 WeakPolarHBondContact OE1-CB 3.34Å; E481-K590 WeakPolarHBondContact OE1-CD 3.48Å; E481-K590 WeakPolarHBondContact OE2-CD 3.37Å; E481-K590 IonicContact OE2-NZ 3.39Å; E481-K590 PolarHBondContact OE2-NZ 2.91Å; T587-K590 HydrophobicContact CG2-CB 4.48Å; K590-M592 PolarHBondContact O-N 3.38Å; K590-I593 PolarHBondContact O-N 3.35Å; K590-I593 VanDerWaalsContact O-N 3.16Å; K590-L598 HydrophobicContact CG-CD1 4.49Å
591	D	89.7	Confident	90.6	Very high	94 Å²	94	40.5 Å²	40.5	50%	0.503	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-55.8	-29.8	174.5	58	-54.4	0	0	0	113	R589	R589-D591 VanDerWaalsContact C-OD1 3.25Å; R589-D591 VanDerWaalsContact CA-OD1 3.29Å; R589-D591 WeakPolarHBondContact CA-OD1 3.43Å; R589-D591 WeakPolarHBondContact CB-OD1 3.47Å; R589-D591 IonicContact CZ-OD2 3.95Å; R589-D591 IonicContact NE-OD1 2.65Å; R589-D591 IonicContact NE-OD2 3.66Å; R589-D591 IonicContact NH2-OD2 3.08Å; R589-D591 PolarHBondContact NH2-OD2 3.17Å; R589-D591 VanDerWaalsContact NH2-OD2 3.09Å; R589-D591 PolarHBondContact O-N 3.11Å
592	M	88.4	Confident	90.7	Very high	65 Å²	65	42.2 Å²	42.2	32%	0.32	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-90	-8.1	-177.8	-66.3	-60.8	-64.8	0	0	114.1	D544 P548 R549 R589 K590	D544-M592 HydrophobicContact CB-CB 4.36Å; P548-M592 CarbonylContact C-O 3.47Å; P548-M592 VanDerWaalsContact CA-O 3.3Å; P548-M592 WeakPolarHBondContact CA-O 3.49Å; R549-M592 PolarHBondContact N-O 3.23Å; R589-M592 HydrophobicContact CB-CB 4.21Å; R589-M592 HydrophobicContact CB-CG 4.04Å; R589-M592 VanDerWaalsContact NH2-CG 3.33Å; R589-M592 PolarHBondContact NH2-SD 2.89Å; R589-M592 PolarHBondContact O-N 3.47Å; K590-M592 PolarHBondContact O-N 3.38Å
593	I	90.1	Very high	90.7	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-83.6	141.6	-176.8	-65.2	177.2	0	0	0	111	L479 I543 D544 C547 T587 K590 P595 L598	L479-I593 HydrophobicContact CD1-CD1 4.11Å; L479-I593 HydrophobicContact CD2-CD1 4.05Å; I543-I593 HydrophobicContact CG2-CD1 3.62Å; I543-I593 HydrophobicContact CG2-CG1 4.44Å; D544-I593 HydrophobicContact CB-CG1 3.9Å; C547-I593 WeakPolarHBondContact O-CA 3.43Å; T587-I593 HydrophobicContact CG2-CD1 3.55Å; K590-I593 PolarHBondContact O-N 3.35Å; K590-I593 VanDerWaalsContact O-N 3.16Å; I593-P595 WeakPolarHBondContact O-CD 3.17Å; I593-L598 HydrophobicContact CG2-CD2 3.92Å; I593-L598 HydrophobicContact CG2-CG 4.26Å
594	D	90.6	Very high	90.5	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.027	23%	0.226	C	C	.	.			trans	-58.6	120.4	170.3	-171.9	-27.5	0	0	0	111.4	C547 R550 V563 A596 I597	C547-D594 PolarHBondContact O-N 2.88Å; R550-D594 IonicContact CZ-OD2 3.9Å; R550-D594 IonicContact NE-OD2 3.31Å; R550-D594 PolarHBondContact NE-OD2 2.92Å; R550-D594 IonicContact NH2-OD2 2.78Å; R550-D594 PolarHBondContact NH2-OD2 3.31Å; V563-D594 HydrophobicContact CG1-CB 4.36Å; V563-D594 WeakPolarHBondContact CG1-OD2 3.24Å; D594-A596 PolarHBondContact O-N 2.86Å; D594-A596 WeakPolarHBondContact OD1-CB 3.29Å; D594-A596 PolarHBondContact OD1-N 2.85Å; D594-I597 HydrophobicContact CB-CD1 4.41Å; D594-I597 PolarHBondContact O-N 3.4Å; D594-I597 VanDerWaalsContact O-N 3.1Å
595	P	90.9	Very high	90.3	Very high	79 Å²	79	45.3 Å²	45.3	51%	0.513	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.3	179.9	25.5	-35.8	0	0	0	114	I593 I597 L598	I593-P595 WeakPolarHBondContact O-CD 3.17Å; P595-I597 VanDerWaalsContact C-N 3.29Å; P595-I597 PolarHBondContact O-N 2.93Å; P595-L598 PolarHBondContact O-N 3.48Å
596	A	90.2	Very high	90.3	Very high	14 Å²	14	48.1 Å²	48.1	12%	0.116	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.4	175.1	0	0	0	0	0	112.6	L567 D594 R602	L567-A596 HydrophobicContact CD1-CB 3.92Å; D594-A596 PolarHBondContact O-N 2.86Å; D594-A596 WeakPolarHBondContact OD1-CB 3.29Å; D594-A596 PolarHBondContact OD1-N 2.85Å; A596-R602 WeakPolarHBondContact O-CD 3.43Å; A596-R602 PolarHBondContact O-NH1 3.41Å
597	I	91	Very high	90.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-27.3	-179.1	-65.7	161	0	0	0	111.5	C547 V563 L566 L567 L570 D594 P595 R599 R602 L603	C547-I597 HydrophobicContact CB-CD1 3.23Å; C547-I597 WeakPolarHBondContact SG-CD1 3.17Å; V563-I597 HydrophobicContact CG1-CD1 4.26Å; L566-I597 HydrophobicContact CD2-CD1 4.19Å; L567-I597 HydrophobicContact CD2-CB 4.31Å; L567-I597 HydrophobicContact CD2-CG1 3.46Å; L567-I597 VanDerWaalsContact CD2-CG1 3.46Å; L567-I597 HydrophobicContact CG-CG1 4.32Å; L570-I597 HydrophobicContact CD1-CG2 4.31Å; D594-I597 HydrophobicContact CB-CD1 4.41Å; D594-I597 PolarHBondContact O-N 3.4Å; D594-I597 VanDerWaalsContact O-N 3.1Å; P595-I597 VanDerWaalsContact C-N 3.29Å; P595-I597 PolarHBondContact O-N 2.93Å; I597-R599 PolarHBondContact O-N 3.23Å; I597-R602 WeakPolarHBondContact O-CB 3.39Å; I597-L603 HydrophobicContact CG2-CB 4.14Å; I597-L603 HydrophobicContact CG2-CD1 3.66Å; I597-L603 HydrophobicContact CG2-CG 3.79Å; I597-L603 PolarHBondContact O-N 3.19Å
598	L	91.9	Very high	90.2	Very high	35 Å²	35	53.5 Å²	53.5	18%	0.183	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.1	-176.9	-52.9	-179.2	0	0	0	113.6	L479 K590 I593 P595 H606	L479-L598 HydrophobicContact CD2-CD2 3.52Å; K590-L598 HydrophobicContact CG-CD1 4.49Å; I593-L598 HydrophobicContact CG2-CD2 3.92Å; I593-L598 HydrophobicContact CG2-CG 4.26Å; P595-L598 PolarHBondContact O-N 3.48Å; L598-H606 VanDerWaalsContact CD2-CE1 3.46Å; L598-H606 WeakPolarHBondContact CD2-CE1 3.31Å; L598-H606 PolarHBondContact O-NE2 3.09Å
599	R	90.1	Very high	90.2	Very high	163 Å²	163	50.5 Å²	50.5	62%	0.615	26%	0.26	S	S	*	.	S	Bend	trans	-69	148.2	-177.4	-69	-177.3	180	175.3	0.4	112	I597 G601 R602	I597-R599 PolarHBondContact O-N 3.23Å; R599-G601 PolarHBondContact O-N 3.35Å; R599-R602 PolarHBondContact O-N 3.38Å; R599-R602 VanDerWaalsContact O-N 3.1Å
600	P	85.8	Confident	90.3	Very high	116 Å²	116	48.5 Å²	48.5	75%	0.753	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	134.8	174	-25.5	34.3	0	0	0	112.8
601	G	82.6	Confident	90.4	Very high	17 Å²	17	47.3 Å²	47.3	18%	0.175	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	-24.2	-172.4	0	0	0	0	0	113.7	D574 R599	D574-G601 VanDerWaalsContact OD2-O 3.08Å; R599-G601 PolarHBondContact O-N 3.35Å
602	R	89.8	Confident	90.4	Very high	37 Å²	37	43.5 Å²	43.5	14%	0.14	24%	0.238	C	C	.	.	S	Bend	trans	-101.2	-120.5	174.3	-63.9	167	-179.9	-178	-6.5	108.8	G476 G477 L570 D571 A596 I597 R599 G604	G476-R602 CarbonylContact C-O 3.4Å; G477-R602 WeakPolarHBondContact CA-O 3.43Å; G477-R602 PolarHBondContact N-O 2.93Å; L570-R602 HydrophobicContact CB-CG 4.32Å; L570-R602 HydrophobicContact CD1-CB 4.28Å; D571-R602 WeakPolarHBondContact OD1-CG 3.46Å; D571-R602 IonicContact OD1-CZ 2.72Å; D571-R602 IonicContact OD1-NE 3.44Å; D571-R602 PolarHBondContact OD1-NE 3.43Å; D571-R602 IonicContact OD1-NH2 3.76Å; D571-R602 PolarHBondContact OD1-NH2 3.29Å; D571-R602 IonicContact OD2-CZ 3.25Å; D571-R602 IonicContact OD2-NE 2.75Å; D571-R602 IonicContact OD2-NH2 2.9Å; D571-R602 PolarHBondContact OD2-NH2 3.4Å; A596-R602 WeakPolarHBondContact O-CD 3.43Å; A596-R602 PolarHBondContact O-NH1 3.41Å; I597-R602 WeakPolarHBondContact O-CB 3.39Å; R599-R602 PolarHBondContact O-N 3.38Å; R599-R602 VanDerWaalsContact O-N 3.1Å; R602-G604 PolarHBondContact O-N 3.36Å; R602-G604 VanDerWaalsContact O-N 3.08Å
603	L	90.8	Very high	90.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	65.9	168.2	-58.2	-174.5	0	0	0	109.7	L479 I543 V583 I597 H606	L479-L603 HydrophobicContact CB-CB 4.27Å; L479-L603 HydrophobicContact CD1-CD1 4.15Å; I543-L603 HydrophobicContact CD1-CD1 3.47Å; I543-L603 VanDerWaalsContact CD1-CD1 3.47Å; V583-L603 HydrophobicContact CB-CD2 4.48Å; V583-L603 HydrophobicContact CG1-CD2 4.04Å; I597-L603 HydrophobicContact CG2-CB 4.14Å; I597-L603 HydrophobicContact CG2-CD1 3.66Å; I597-L603 HydrophobicContact CG2-CG 3.79Å; I597-L603 PolarHBondContact O-N 3.19Å; L603-H606 PolarHBondContact O-CE1 3.13Å; L603-H606 PolarHBondContact O-NE2 3.27Å
604	G	87.8	Confident	90.3	Very high	28 Å²	28	48.5 Å²	48.5	29%	0.289	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-25.2	-171	0	0	0	0	0	114.7	G477 R602 H606	G477-G604 PolarHBondContact O-N 3.28Å; R602-G604 PolarHBondContact O-N 3.36Å; R602-G604 VanDerWaalsContact O-N 3.08Å; G604-H606 PolarHBondContact O-CD2 3.24Å
605	L	91.4	Very high	90.3	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.236	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118	176	178.4	62.5	0	0	0	109.1	R457 G477 V478 L479 L607	R457-L605 HydrophobicContact CB-CD2 4.03Å; R457-L605 HydrophobicContact CG-CD2 4.06Å; G477-L605 PolarHBondContact O-N 2.99Å; V478-L605 CarbonylContact C-O 3.38Å; V478-L605 WeakPolarHBondContact CA-O 3.41Å; V478-L605 HydrophobicContact CG1-CD2 4.36Å; V478-L605 HydrophobicContact CG1-CG 4.32Å; V478-L605 HydrophobicContact CG2-CB 4.13Å; V478-L605 HydrophobicContact CG2-CD2 3.87Å; V478-L605 HydrophobicContact CG2-CG 4.34Å; L479-L605 PolarHBondContact N-O 3.31Å; L605-L607 HydrophobicContact CD1-CD2 3.98Å; L605-L607 HydrophobicContact CD2-CD1 4.43Å; L605-L607 HydrophobicContact CD2-CD2 4.2Å; L605-L607 HydrophobicContact CD2-CG 4.42Å; L605-L607 HydrophobicContact CG-CD2 3.94Å; L605-L607 HydrophobicContact CG-CG 4.17Å
606	H	93.5	Very high	90.3	Very high	59 Å²	59	55.6 Å²	55.6	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.6	179.6	-55.6	-73.9	0	0	0	109	L598 L603 G604	L598-H606 VanDerWaalsContact CD2-CE1 3.46Å; L598-H606 WeakPolarHBondContact CD2-CE1 3.31Å; L598-H606 PolarHBondContact O-NE2 3.09Å; L603-H606 PolarHBondContact O-CE1 3.13Å; L603-H606 PolarHBondContact O-NE2 3.27Å; G604-H606 PolarHBondContact O-CD2 3.24Å
607	L	94.5	Very high	90.4	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.9	178.8	-56.6	-178.6	0	0	0	109.1	T450 Q453 L454 V478 L479 L480 E481 L605	T450-L607 HydrophobicContact CG2-CB 4.28Å; T450-L607 HydrophobicContact CG2-CD1 3.85Å; Q453-L607 HydrophobicContact CB-CD1 4.48Å; Q453-L607 HydrophobicContact CB-CD2 3.97Å; Q453-L607 HydrophobicContact CG-CD2 4.47Å; L454-L607 HydrophobicContact CD1-CD1 4.34Å; L454-L607 HydrophobicContact CD2-CD1 3.52Å; L454-L607 HydrophobicContact CG-CD1 3.6Å; V478-L607 HydrophobicContact CG1-CD1 3.67Å; V478-L607 HydrophobicContact CG1-CG 3.87Å; L479-L607 PolarHBondContact O-N 3.14Å; L480-L607 HydrophobicContact CD2-CB 3.98Å; L480-L607 HydrophobicContact CD2-CD1 4.02Å; L480-L607 HydrophobicContact CD2-CG 4.43Å; E481-L607 PolarHBondContact N-O 2.65Å; L605-L607 HydrophobicContact CD1-CD2 3.98Å; L605-L607 HydrophobicContact CD2-CD1 4.43Å; L605-L607 HydrophobicContact CD2-CD2 4.2Å; L605-L607 HydrophobicContact CD2-CG 4.42Å; L605-L607 HydrophobicContact CG-CD2 3.94Å; L605-L607 HydrophobicContact CG-CG 4.17Å
608	M	93.3	Very high	90.4	Very high	111 Å²	111	58 Å²	58	55%	0.547	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.4	176.1	-164.8	179.6	-162.3	0	0	109.6	E481 N610	E481-M608 CarbonylContact O-C 3.58Å; E481-M608 WeakPolarHBondContact O-CA 3.31Å; M608-N610 WeakPolarHBondContact CE-OD1 3.31Å
609	I	93	Very high	90.5	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.307	C	S	.	.			trans	-104.2	98.6	177.7	-55.4	-172.9	0	0	0	107.9	L447 T450 L480 E481 G482 C486 K488 V491	L447-I609 HydrophobicContact CD1-CG2 3.75Å; L447-I609 HydrophobicContact CD2-CG2 3.83Å; L447-I609 HydrophobicContact CG-CG2 4.46Å; T450-I609 HydrophobicContact CG2-CD1 4.32Å; T450-I609 HydrophobicContact CG2-CG1 4.32Å; L480-I609 HydrophobicContact CB-CD1 4.29Å; L480-I609 HydrophobicContact CD1-CD1 4.28Å; L480-I609 HydrophobicContact CD2-CD1 4.1Å; L480-I609 HydrophobicContact CG-CD1 4.45Å; E481-I609 PolarHBondContact O-N 2.97Å; G482-I609 WeakPolarHBondContact CA-O 3.47Å; C486-I609 HydrophobicContact CB-CG2 3.83Å; C486-I609 VanDerWaalsContact O-CG2 3.31Å; C486-I609 WeakPolarHBondContact O-CG2 3.35Å; K488-I609 HydrophobicContact CG-CD1 4.21Å; V491-I609 HydrophobicContact CG2-CD1 4.29Å
610	N	91.3	Very high	90.5	Very high	75 Å²	75	52.1 Å²	52.1	40%	0.401	29%	0.292	S	S	.	.			trans	-94.3	165.2	178.2	-70	-33.7	0	0	0	111.4	M608	M608-N610 WeakPolarHBondContact CE-OD1 3.31Å
611	P	91.2	Very high	90.8	Very high	39 Å²	39	47.5 Å²	47.5	25%	0.253	26%	0.261	S	S	.	.	S	Bend	trans	-53.9	149.3	167.9	-23.8	35	0	0	0	111.4	P483 S613	P483-P611 HydrophobicContact CG-CG 4.02Å; P611-S613 PolarHBondContact O-N 3.39Å; P611-S613 VanDerWaalsContact O-N 3.13Å
612	P	90.8	Very high	91.2	Very high	14 Å²	14	46.7 Å²	46.7	9%	0.091	25%	0.253	C	S	.	.			trans	-58.3	115.3	-179.2	25.1	-36.6	0	0	0	111.7	E617 R618 M653 L658	P612-E617 HydrophobicContact CB-CB 3.65Å; P612-R618 HydrophobicContact CB-CG 3.7Å; P612-R618 HydrophobicContact CG-CG 3.66Å; P612-M653 WeakPolarHBondContact CD-O 3.49Å; P612-L658 HydrophobicContact CG-CD1 4.09Å
613	S	86.2	Confident	91.3	Very high	80 Å²	80	46.2 Å²	46.2	56%	0.559	26%	0.255	S	S	*	.			trans	-80.8	-40.5	-173.4	59.9	0	0	0	0	112.2	P611 E617 R618	P611-S613 PolarHBondContact O-N 3.39Å; P611-S613 VanDerWaalsContact O-N 3.13Å; S613-E617 PolarHBondContact N-OE2 3.44Å; S613-E617 PolarHBondContact OG-OE2 3.21Å; S613-R618 PolarHBondContact O-NH1 3.37Å
614	N	90.2	Very high	91.2	Very high	95 Å²	95	46.7 Å²	46.7	51%	0.508	26%	0.259	S	S	.	.	S	Bend	trans	-99.6	150.8	-174.4	-63	-50.2	0	0	0	111.1	K616 E617 R618	N614-K616 PolarHBondContact O-N 3.26Å; N614-E617 HydrophobicContact CB-CG 4.3Å; N614-E617 PolarHBondContact N-OE2 2.89Å; N614-E617 WeakPolarHBondContact O-CB 3.35Å; N614-E617 PolarHBondContact O-N 2.84Å; N614-R618 PolarHBondContact O-N 2.9Å; N614-R618 VanDerWaalsContact O-N 3.1Å
615	V	90.5	Very high	91.2	Very high	51 Å²	51	47.9 Å²	47.9	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-50.9	-42.8	173.5	176.2	0	0	0	0	111.4	E617 R618 L619 A645 N646	V615-E617 VanDerWaalsContact C-N 3.31Å; V615-E617 PolarHBondContact O-N 2.93Å; V615-R618 PolarHBondContact O-N 2.97Å; V615-L619 WeakPolarHBondContact O-CB 3.28Å; V615-L619 PolarHBondContact O-N 3.45Å; V615-A645 HydrophobicContact CG1-CB 4.16Å; V615-N646 WeakPolarHBondContact CG1-OD1 3.3Å
616	K	90.9	Very high	90.9	Very high	182 Å²	182	45.7 Å²	45.7	79%	0.791	25%	0.251	S	S	*	.	H	α-helix	trans	-61.9	-36.3	179.2	-66.9	-175.6	179	-178.5	0	113	N614 S620	N614-K616 PolarHBondContact O-N 3.26Å; K616-S620 WeakPolarHBondContact O-CB 3.44Å; K616-S620 PolarHBondContact O-N 3Å
617	E	91.1	Very high	90.4	Very high	59 Å²	59	50.7 Å²	50.7	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-71.1	-44.7	177.6	-67.1	174.3	166.6	0	0	110.5	P612 S613 N614 V615 L619 S620 V621	P612-E617 HydrophobicContact CB-CB 3.65Å; S613-E617 PolarHBondContact N-OE2 3.44Å; S613-E617 PolarHBondContact OG-OE2 3.21Å; N614-E617 HydrophobicContact CB-CG 4.3Å; N614-E617 PolarHBondContact N-OE2 2.89Å; N614-E617 WeakPolarHBondContact O-CB 3.35Å; N614-E617 PolarHBondContact O-N 2.84Å; V615-E617 VanDerWaalsContact C-N 3.31Å; V615-E617 PolarHBondContact O-N 2.93Å; E617-L619 VanDerWaalsContact C-N 3.33Å; E617-L619 PolarHBondContact O-N 3.21Å; E617-S620 WeakPolarHBondContact O-CB 3.32Å; E617-S620 PolarHBondContact O-N 3.46Å; E617-S620 VanDerWaalsContact O-N 3.12Å; E617-V621 WeakPolarHBondContact O-CG2 3.44Å; E617-V621 PolarHBondContact O-N 2.82Å
618	R	92.5	Very high	89.8	Confident	6 Å²	6	54.1 Å²	54.1	2%	0.023	29%	0.292	C	S	.	.	H	α-helix	trans	-58.7	-45.4	175.1	-69.8	-167.2	-66.3	-94.2	10	111.7	P612 S613 N614 V615 S620 V621 L622 A645 T650	P612-R618 HydrophobicContact CB-CG 3.7Å; P612-R618 HydrophobicContact CG-CG 3.66Å; S613-R618 PolarHBondContact O-NH1 3.37Å; N614-R618 PolarHBondContact O-N 2.9Å; N614-R618 VanDerWaalsContact O-N 3.1Å; V615-R618 PolarHBondContact O-N 2.97Å; R618-S620 VanDerWaalsContact C-N 3.31Å; R618-S620 PolarHBondContact O-N 3.4Å; R618-V621 PolarHBondContact O-N 3.23Å; R618-L622 WeakPolarHBondContact O-CG 3.41Å; R618-L622 PolarHBondContact O-N 3.15Å; R618-A645 HydrophobicContact CB-CB 4.07Å; R618-A645 PolarHBondContact NE-O 2.96Å; R618-A645 PolarHBondContact NH2-O 3.23Å; R618-T650 VanDerWaalsContact CD-O 3.29Å; R618-T650 WeakPolarHBondContact CD-O 3.38Å; R618-T650 WeakPolarHBondContact CD-OG1 3.33Å; R618-T650 PolarHBondContact NE-OG1 3.47Å
619	L	92.2	Very high	88.9	Confident	33 Å²	33	49.3 Å²	49.3	17%	0.173	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-43	174.8	-177.8	63.7	0	0	0	111.7	V615 E617 V621 L622 S623 M638 L641 E642 A645	V615-L619 WeakPolarHBondContact O-CB 3.28Å; V615-L619 PolarHBondContact O-N 3.45Å; E617-L619 VanDerWaalsContact C-N 3.33Å; E617-L619 PolarHBondContact O-N 3.21Å; L619-V621 VanDerWaalsContact C-N 3.33Å; L619-V621 PolarHBondContact O-N 2.93Å; L619-L622 PolarHBondContact O-N 3.43Å; L619-S623 WeakPolarHBondContact O-CB 3.39Å; L619-S623 PolarHBondContact O-N 2.83Å; L619-S623 PolarHBondContact O-OG 3.31Å; L619-M638 HydrophobicContact CD1-CE 3.57Å; L619-M638 HydrophobicContact CG-CE 4.13Å; L619-L641 HydrophobicContact CD1-CB 3.91Å; L619-E642 HydrophobicContact CD1-CB 4.34Å; L619-E642 HydrophobicContact CD1-CG 3.59Å; L619-E642 HydrophobicContact CD2-CG 3.63Å; L619-E642 HydrophobicContact CG-CG 4.24Å; L619-A645 HydrophobicContact CB-CB 4.04Å
620	S	91.3	Very high	88.2	Confident	42 Å²	42	53.6 Å²	53.6	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-33.9	177.8	-174.1	0	0	0	0	113	G445 G446 K616 E617 R618 S623 A624	G445-S620 VanDerWaalsContact CA-O 3.3Å; G445-S620 WeakPolarHBondContact CA-O 3.47Å; G445-S620 WeakPolarHBondContact CA-OG 3.22Å; G446-S620 PolarHBondContact N-OG 2.66Å; K616-S620 WeakPolarHBondContact O-CB 3.44Å; K616-S620 PolarHBondContact O-N 3Å; E617-S620 WeakPolarHBondContact O-CB 3.32Å; E617-S620 PolarHBondContact O-N 3.46Å; E617-S620 VanDerWaalsContact O-N 3.12Å; R618-S620 VanDerWaalsContact C-N 3.31Å; R618-S620 PolarHBondContact O-N 3.4Å; S620-S623 WeakPolarHBondContact CA-OG 3.45Å; S620-S623 PolarHBondContact O-OG 2.86Å; S620-A624 WeakPolarHBondContact O-CB 3.48Å; S620-A624 PolarHBondContact O-N 3.01Å; S620-A624 VanDerWaalsContact O-N 3.08Å
621	V	91.7	Very high	87.7	Confident	18 Å²	18	53.4 Å²	53.4	11%	0.109	30%	0.298	C	S	.	.	H	α-helix	trans	-69.8	-47.9	174.3	174.8	0	0	0	0	110.4	E617 R618 L619 S623 A624 C625 L658	E617-V621 WeakPolarHBondContact O-CG2 3.44Å; E617-V621 PolarHBondContact O-N 2.82Å; R618-V621 PolarHBondContact O-N 3.23Å; L619-V621 VanDerWaalsContact C-N 3.33Å; L619-V621 PolarHBondContact O-N 2.93Å; V621-S623 VanDerWaalsContact C-N 3.3Å; V621-S623 PolarHBondContact O-N 3.01Å; V621-A624 PolarHBondContact O-N 3.38Å; V621-C625 PolarHBondContact O-N 3.43Å; V621-C625 PolarHBondContact O-SG 2.88Å; V621-L658 HydrophobicContact CB-CD1 4.06Å; V621-L658 HydrophobicContact CG1-CB 4.43Å; V621-L658 HydrophobicContact CG1-CD1 3.82Å
622	L	91.7	Very high	87.2	Confident	1 Å²	1	53 Å²	53	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-39.3	176.7	-71.3	171.1	0	0	0	112.1	R618 L619 T626 L641 I644 A645 L658 L662	R618-L622 WeakPolarHBondContact O-CG 3.41Å; R618-L622 PolarHBondContact O-N 3.15Å; L619-L622 PolarHBondContact O-N 3.43Å; L622-T626 WeakPolarHBondContact O-CB 3.44Å; L622-T626 VanDerWaalsContact O-CG2 3.28Å; L622-T626 WeakPolarHBondContact O-CG2 3.42Å; L622-T626 PolarHBondContact O-N 3.34Å; L622-T626 PolarHBondContact O-OG1 3.31Å; L622-L641 HydrophobicContact CB-CD1 4.41Å; L622-L641 HydrophobicContact CB-CD2 4.2Å; L622-I644 HydrophobicContact CD1-CB 4.49Å; L622-I644 HydrophobicContact CD1-CG2 4.22Å; L622-A645 HydrophobicContact CD1-CB 4.27Å; L622-L658 HydrophobicContact CD2-CB 4.13Å; L622-L658 HydrophobicContact CD2-CD2 4.33Å; L622-L662 HydrophobicContact CD2-CD1 3.96Å; L622-L662 HydrophobicContact CD2-CD2 4.23Å; L622-L662 HydrophobicContact CD2-CG 4.06Å
623	S	90.5	Very high	87	Confident	26 Å²	26	61.4 Å²	61.4	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-67.6	-39.4	176.5	69.2	0	0	0	0	111.8	L619 S620 V621 T626 R627 S628	L619-S623 WeakPolarHBondContact O-CB 3.39Å; L619-S623 PolarHBondContact O-N 2.83Å; L619-S623 PolarHBondContact O-OG 3.31Å; S620-S623 WeakPolarHBondContact CA-OG 3.45Å; S620-S623 PolarHBondContact O-OG 2.86Å; V621-S623 VanDerWaalsContact C-N 3.3Å; V621-S623 PolarHBondContact O-N 3.01Å; S623-T626 PolarHBondContact O-N 3.23Å; S623-T626 PolarHBondContact O-OG1 3.29Å; S623-R627 CarbonylContact O-C 3.6Å; S623-R627 WeakPolarHBondContact O-CA 3.4Å; S623-R627 PolarHBondContact O-N 3Å; S623-S628 PolarHBondContact O-N 3.07Å
624	A	89.2	Confident	87	Confident	12 Å²	12	58 Å²	58	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-48.5	174.7	0	0	0	0	0	111.6	S620 V621 T626 R627	S620-A624 WeakPolarHBondContact O-CB 3.48Å; S620-A624 PolarHBondContact O-N 3.01Å; S620-A624 VanDerWaalsContact O-N 3.08Å; V621-A624 PolarHBondContact O-N 3.38Å; A624-T626 PolarHBondContact O-N 2.96Å; A624-R627 PolarHBondContact O-N 3.29Å
625	C	87.2	Confident	86.7	Confident	52 Å²	52	57.1 Å²	57.1	35%	0.351	29%	0.293	S	S	.	.	H	α-helix	trans	-62.1	-25.4	178.9	-66.7	0	0	0	0	113.8	V621 L662	V621-C625 PolarHBondContact O-N 3.43Å; V621-C625 PolarHBondContact O-SG 2.88Å; C625-L662 HydrophobicContact CB-CD1 3.55Å
626	T	85.6	Confident	86.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	4.6	-174.8	61.1	0	0	0	0	113.7	L622 S623 A624 S628 A629 T630 T631 I634 L662	L622-T626 WeakPolarHBondContact O-CB 3.44Å; L622-T626 VanDerWaalsContact O-CG2 3.28Å; L622-T626 WeakPolarHBondContact O-CG2 3.42Å; L622-T626 PolarHBondContact O-N 3.34Å; L622-T626 PolarHBondContact O-OG1 3.31Å; S623-T626 PolarHBondContact O-N 3.23Å; S623-T626 PolarHBondContact O-OG1 3.29Å; A624-T626 PolarHBondContact O-N 2.96Å; T626-S628 VanDerWaalsContact C-N 3.29Å; T626-S628 PolarHBondContact O-N 2.89Å; T626-A629 PolarHBondContact O-N 3.07Å; T626-A629 VanDerWaalsContact O-N 3.16Å; T626-A629 PolarHBondContact OG1-N 3.09Å; T626-T630 PolarHBondContact O-N 3.35Å; T626-T631 PolarHBondContact O-N 3.23Å; T626-T631 VanDerWaalsContact O-N 3.09Å; T626-I634 HydrophobicContact CG2-CD1 3.87Å; T626-L662 HydrophobicContact CG2-CD1 3.6Å; T626-L662 HydrophobicContact CG2-CD2 3.88Å; T626-L662 HydrophobicContact CG2-CG 4.38Å
627	R	84.4	Confident	86.2	Confident	164 Å²	164	51.8 Å²	51.8	62%	0.619	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	53.5	-169.2	-64.1	-178.2	178.7	159.1	-1.7	111.7	S623 A624 T630	S623-R627 CarbonylContact O-C 3.6Å; S623-R627 WeakPolarHBondContact O-CA 3.4Å; S623-R627 PolarHBondContact O-N 3Å; A624-R627 PolarHBondContact O-N 3.29Å; R627-T630 WeakPolarHBondContact CB-OG1 3.44Å; R627-T630 PolarHBondContact O-OG1 3.38Å
628	S	80.4	Confident	85.8	Confident	76 Å²	76	51.8 Å²	51.8	53%	0.531	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	49.1	-174.9	-52.5	0	0	0	0	113.2	S623 T626 T630	S623-S628 PolarHBondContact O-N 3.07Å; T626-S628 VanDerWaalsContact C-N 3.29Å; T626-S628 PolarHBondContact O-N 2.89Å; S628-T630 VanDerWaalsContact C-N 3.26Å; S628-T630 PolarHBondContact O-N 3Å
629	A	74.9	Confident	85.6	Confident	9 Å²	9	57.2 Å²	57.2	7%	0.074	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	21.9	177.9	0	0	0	0	0	115.8	T626 P632 I634 L641	T626-A629 PolarHBondContact O-N 3.07Å; T626-A629 VanDerWaalsContact O-N 3.16Å; T626-A629 PolarHBondContact OG1-N 3.09Å; A629-P632 CarbonylContact C-O 3.6Å; A629-I634 HydrophobicContact CB-CB 4.05Å; A629-I634 HydrophobicContact CB-CD1 3.97Å; A629-I634 HydrophobicContact CB-CG1 4.07Å; A629-I634 PolarHBondContact O-N 3.18Å; A629-L641 HydrophobicContact CB-CD1 4Å
630	T	78.3	Confident	85.3	Confident	91 Å²	91	55.8 Å²	55.8	56%	0.558	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-36.3	179.4	57.9	0	0	0	0	112.6	T626 R627 S628 P632 R633	T626-T630 PolarHBondContact O-N 3.35Å; R627-T630 WeakPolarHBondContact CB-OG1 3.44Å; R627-T630 PolarHBondContact O-OG1 3.38Å; S628-T630 VanDerWaalsContact C-N 3.26Å; S628-T630 PolarHBondContact O-N 3Å; T630-P632 CarbonylContact C-O 3.55Å; T630-P632 CarbonylContact O-C 3.56Å; T630-R633 PolarHBondContact O-N 3.16Å
631	T	81.3	Confident	85.1	Confident	72 Å²	72	53.8 Å²	53.8	44%	0.442	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	95.5	-179.1	55.5	0	0	0	0	109.9	T626	T626-T631 PolarHBondContact O-N 3.23Å; T626-T631 VanDerWaalsContact O-N 3.09Å
632	P	80.5	Confident	85.1	Confident	31 Å²	31	56.7 Å²	56.7	20%	0.201	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	cis	-75	160.8	3.5	32.8	-36	0	0	0	112.6	A629 T630 I634 K666 V677	A629-P632 CarbonylContact C-O 3.6Å; T630-P632 CarbonylContact C-O 3.55Å; T630-P632 CarbonylContact O-C 3.56Å; P632-I634 WeakPolarHBondContact O-CG1 3.28Å; P632-I634 PolarHBondContact O-N 3.17Å; P632-K666 HydrophobicContact CB-CG 4.47Å; P632-K666 HydrophobicContact CG-CD 4.36Å; P632-K666 HydrophobicContact CG-CG 4.01Å; P632-V677 HydrophobicContact CB-CG2 4Å; P632-V677 HydrophobicContact CG-CG2 3.85Å
633	R	87	Confident	85	Confident	189 Å²	189	60.2 Å²	60.2	71%	0.713	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	118.9	171.3	-177.1	176.1	179.9	151.5	-0.3	109	T630 F676 V677	T630-R633 PolarHBondContact O-N 3.16Å; R633-F676 HydrophobicContact CB-CB 4.31Å; R633-F676 HydrophobicContact CG-CB 4.34Å; R633-F676 CarbonylContact O-C 3.59Å; R633-F676 VanDerWaalsContact O-CA 3.32Å; R633-F676 WeakPolarHBondContact O-CA 3.4Å; R633-F676 WeakPolarHBondContact O-CB 3.42Å; R633-V677 PolarHBondContact O-N 3.41Å
634	I	85.7	Confident	85	Confident	8 Å²	8	59 Å²	59	4%	0.041	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-102.6	134.6	178.9	-51	-178.4	0	0	0	109.5	T626 A629 P632 N636 G637 L641 V677 L682	T626-I634 HydrophobicContact CG2-CD1 3.87Å; A629-I634 HydrophobicContact CB-CB 4.05Å; A629-I634 HydrophobicContact CB-CD1 3.97Å; A629-I634 HydrophobicContact CB-CG1 4.07Å; A629-I634 PolarHBondContact O-N 3.18Å; P632-I634 WeakPolarHBondContact O-CG1 3.28Å; P632-I634 PolarHBondContact O-N 3.17Å; I634-N636 PolarHBondContact O-N 2.72Å; I634-G637 PolarHBondContact O-N 2.99Å; I634-L641 HydrophobicContact CD1-CD1 4.18Å; I634-L641 HydrophobicContact CD1-CD2 3.53Å; I634-L641 HydrophobicContact CD1-CG 3.97Å; I634-V677 WeakPolarHBondContact CA-O 3.35Å; I634-L682 HydrophobicContact CG2-CD1 3.8Å
635	E	84.7	Confident	85	Confident	77 Å²	77	58.5 Å²	58.5	36%	0.36	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	134.4	171.7	-173.9	177.4	-149.4	0	0	110.4	G637 S640 F676 V677 S678 Q679	E635-G637 PolarHBondContact O-N 2.95Å; E635-S640 WeakPolarHBondContact O-CB 3.3Å; E635-S640 PolarHBondContact O-OG 3.37Å; E635-F676 HydrophobicContact CB-CD2 4.08Å; E635-F676 HydrophobicContact CB-CE2 4.18Å; E635-F676 HydrophobicContact CG-CE2 4.46Å; E635-V677 PolarHBondContact N-O 3.29Å; E635-S678 WeakPolarHBondContact OE2-CA 3.43Å; E635-S678 WeakPolarHBondContact OE2-CB 3.42Å; E635-Q679 PolarHBondContact OE2-N 3.36Å; E635-Q679 VanDerWaalsContact OE2-N 3.09Å
636	N	82.7	Confident	85.2	Confident	100 Å²	100	60.9 Å²	60.9	54%	0.535	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	10.6	-172.9	-51	-38.5	0	0	0	115.5	I634 M638 L639	I634-N636 PolarHBondContact O-N 2.72Å; N636-M638 PolarHBondContact O-N 3.35Å; N636-L639 HydrophobicContact CB-CB 4.44Å; N636-L639 PolarHBondContact O-N 2.82Å
637	G	86.5	Confident	85.4	Confident	22 Å²	22	62.2 Å²	62.2	23%	0.227	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	-123.9	173.5	0	0	0	0	0	113.7	I634 E635 L639 S640	I634-G637 PolarHBondContact O-N 2.99Å; E635-G637 PolarHBondContact O-N 2.95Å; G637-L639 VanDerWaalsContact C-N 3.3Å; G637-L639 PolarHBondContact O-N 3.46Å; G637-S640 PolarHBondContact O-N 3.4Å
638	M	84.5	Confident	85.6	Confident	59 Å²	59	58.4 Å²	58.4	29%	0.291	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-30.4	-176.7	-73.5	-56.2	-42.1	0	0	114.1	L619 N636 S640 L641 E642	L619-M638 HydrophobicContact CD1-CE 3.57Å; L619-M638 HydrophobicContact CG-CE 4.13Å; N636-M638 PolarHBondContact O-N 3.35Å; M638-S640 VanDerWaalsContact C-N 3.29Å; M638-S640 PolarHBondContact O-N 2.94Å; M638-L641 HydrophobicContact CE-CB 4.27Å; M638-L641 HydrophobicContact CE-CD1 4.11Å; M638-L641 PolarHBondContact O-N 3.08Å; M638-L641 VanDerWaalsContact O-N 3.15Å; M638-L641 HydrophobicContact SD-CD1 4.03Å; M638-E642 WeakPolarHBondContact O-CG 3.37Å; M638-E642 PolarHBondContact O-N 3.2Å
639	L	86.4	Confident	85.9	Confident	120 Å²	120	58.4 Å²	58.4	63%	0.628	31%	0.306	S	S	*	.	H	α-helix	trans	-63.4	-36.5	-178.7	-66.3	169.6	0	0	0	111.9	N636 G637 E642 L643	N636-L639 HydrophobicContact CB-CB 4.44Å; N636-L639 PolarHBondContact O-N 2.82Å; G637-L639 VanDerWaalsContact C-N 3.3Å; G637-L639 PolarHBondContact O-N 3.46Å; L639-E642 PolarHBondContact O-N 2.7Å; L639-L643 PolarHBondContact O-N 3.29Å; L639-L643 VanDerWaalsContact O-N 3.08Å
640	S	85.9	Confident	86.6	Confident	2 Å²	2	58 Å²	58	1%	0.014	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-38.8	175.7	-66.3	0	0	0	0	111.9	E635 G637 M638 L643 I644	E635-S640 WeakPolarHBondContact O-CB 3.3Å; E635-S640 PolarHBondContact O-OG 3.37Å; G637-S640 PolarHBondContact O-N 3.4Å; M638-S640 VanDerWaalsContact C-N 3.29Å; M638-S640 PolarHBondContact O-N 2.94Å; S640-L643 PolarHBondContact O-N 2.95Å; S640-I644 WeakPolarHBondContact O-CD1 3.43Å; S640-I644 WeakPolarHBondContact O-CG1 3.43Å; S640-I644 PolarHBondContact O-N 3.39Å
641	L	88.7	Confident	87	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.7	-38.4	175.4	-64.9	-177.1	0	0	0	111.9	L619 L622 A629 I634 M638 L643 I644 A645 L662	L619-L641 HydrophobicContact CD1-CB 3.91Å; L622-L641 HydrophobicContact CB-CD1 4.41Å; L622-L641 HydrophobicContact CB-CD2 4.2Å; A629-L641 HydrophobicContact CB-CD1 4Å; I634-L641 HydrophobicContact CD1-CD1 4.18Å; I634-L641 HydrophobicContact CD1-CD2 3.53Å; I634-L641 HydrophobicContact CD1-CG 3.97Å; M638-L641 HydrophobicContact CE-CB 4.27Å; M638-L641 HydrophobicContact CE-CD1 4.11Å; M638-L641 PolarHBondContact O-N 3.08Å; M638-L641 VanDerWaalsContact O-N 3.15Å; M638-L641 HydrophobicContact SD-CD1 4.03Å; L641-L643 VanDerWaalsContact C-N 3.34Å; L641-I644 PolarHBondContact O-N 2.85Å; L641-A645 WeakPolarHBondContact O-CB 3.41Å; L641-A645 PolarHBondContact O-N 3.23Å; L641-L662 HydrophobicContact CD2-CD2 4.49Å
642	E	89.9	Confident	87.2	Confident	80 Å²	80	66.4 Å²	66.4	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-62.3	-40.8	174.2	-74.4	179.7	-172	0	0	112.1	L619 M638 L639 I644 A645 N646	L619-E642 HydrophobicContact CD1-CB 4.34Å; L619-E642 HydrophobicContact CD1-CG 3.59Å; L619-E642 HydrophobicContact CD2-CG 3.63Å; L619-E642 HydrophobicContact CG-CG 4.24Å; M638-E642 WeakPolarHBondContact O-CG 3.37Å; M638-E642 PolarHBondContact O-N 3.2Å; L639-E642 PolarHBondContact O-N 2.7Å; E642-I644 VanDerWaalsContact C-N 3.34Å; E642-I644 PolarHBondContact O-N 2.95Å; E642-A645 PolarHBondContact O-N 3.22Å; E642-N646 WeakPolarHBondContact O-CB 3.38Å; E642-N646 PolarHBondContact O-N 3.14Å; E642-N646 PolarHBondContact O-ND2 2.93Å
643	L	90.7	Very high	87.7	Confident	75 Å²	75	65.9 Å²	65.9	39%	0.393	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-41.4	177	-173.3	137.9	0	0	0	111.7	L639 S640 L641 N646 D647 L683	L639-L643 PolarHBondContact O-N 3.29Å; L639-L643 VanDerWaalsContact O-N 3.08Å; S640-L643 PolarHBondContact O-N 2.95Å; L641-L643 VanDerWaalsContact C-N 3.34Å; L643-N646 PolarHBondContact O-N 3.41Å; L643-D647 PolarHBondContact O-N 3.49Å; L643-L683 HydrophobicContact CD2-CD2 4.17Å
644	I	90.4	Very high	87.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-70.3	-41.8	177.3	-64	156.4	0	0	0	111.2	L622 S640 L641 E642 N646 D647 T650 L661 L682	L622-I644 HydrophobicContact CD1-CB 4.49Å; L622-I644 HydrophobicContact CD1-CG2 4.22Å; S640-I644 WeakPolarHBondContact O-CD1 3.43Å; S640-I644 WeakPolarHBondContact O-CG1 3.43Å; S640-I644 PolarHBondContact O-N 3.39Å; L641-I644 PolarHBondContact O-N 2.85Å; E642-I644 VanDerWaalsContact C-N 3.34Å; E642-I644 PolarHBondContact O-N 2.95Å; I644-N646 PolarHBondContact O-N 3.38Å; I644-D647 VanDerWaalsContact O-CB 3.26Å; I644-D647 WeakPolarHBondContact O-CB 3.42Å; I644-D647 PolarHBondContact O-N 2.93Å; I644-T650 HydrophobicContact CG2-CG2 4.06Å; I644-T650 VanDerWaalsContact O-CG2 3.31Å; I644-T650 WeakPolarHBondContact O-CG2 3.46Å; I644-T650 PolarHBondContact O-OG1 3.48Å; I644-L661 HydrophobicContact CG2-CD1 4.33Å; I644-L661 HydrophobicContact CG2-CD2 4.43Å; I644-L682 HydrophobicContact CD1-CB 3.38Å; I644-L682 HydrophobicContact CD1-CD1 3.42Å; I644-L682 VanDerWaalsContact CD1-CD1 3.42Å; I644-L682 HydrophobicContact CD1-CD2 3.77Å; I644-L682 HydrophobicContact CD1-CG 3.66Å; I644-L682 HydrophobicContact CG1-CB 4.21Å
645	A	89.7	Confident	88.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-29.9	177.2	0	0	0	0	0	112.7	V615 R618 L619 L622 L641 E642 T650	V615-A645 HydrophobicContact CG1-CB 4.16Å; R618-A645 HydrophobicContact CB-CB 4.07Å; R618-A645 PolarHBondContact NE-O 2.96Å; R618-A645 PolarHBondContact NH2-O 3.23Å; L619-A645 HydrophobicContact CB-CB 4.04Å; L622-A645 HydrophobicContact CD1-CB 4.27Å; L641-A645 WeakPolarHBondContact O-CB 3.41Å; L641-A645 PolarHBondContact O-N 3.23Å; E642-A645 PolarHBondContact O-N 3.22Å; A645-T650 PolarHBondContact O-OG1 3.41Å
646	N	91.7	Very high	88.4	Confident	103 Å²	103	55.9 Å²	55.9	55%	0.551	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-13.9	174	-80	-55.2	0	0	0	113.7	V615 E642 L643 I644 S648	V615-N646 WeakPolarHBondContact CG1-OD1 3.3Å; E642-N646 WeakPolarHBondContact O-CB 3.38Å; E642-N646 PolarHBondContact O-N 3.14Å; E642-N646 PolarHBondContact O-ND2 2.93Å; L643-N646 PolarHBondContact O-N 3.41Å; I644-N646 PolarHBondContact O-N 3.38Å; N646-S648 PolarHBondContact O-N 3.22Å
647	D	89.8	Confident	88.9	Confident	28 Å²	28	54.5 Å²	54.5	15%	0.15	28%	0.281	C	S	.	.			trans	-69.1	128.1	179.8	-164.3	-50.2	0	0	0	110.2	L643 I644 R649 T650 L686	L643-D647 PolarHBondContact O-N 3.49Å; I644-D647 VanDerWaalsContact O-CB 3.26Å; I644-D647 WeakPolarHBondContact O-CB 3.42Å; I644-D647 PolarHBondContact O-N 2.93Å; D647-R649 PolarHBondContact O-N 3.46Å; D647-R649 VanDerWaalsContact O-N 3.14Å; D647-R649 WeakPolarHBondContact OD1-CB 3.5Å; D647-R649 WeakPolarHBondContact OD1-CG 3.5Å; D647-R649 IonicContact OD1-CZ 2.71Å; D647-R649 PolarHBondContact OD1-N 2.87Å; D647-R649 IonicContact OD1-NE 2.85Å; D647-R649 PolarHBondContact OD1-NE 2.94Å; D647-R649 IonicContact OD1-NH2 3.62Å; D647-R649 IonicContact OD2-CZ 2.88Å; D647-R649 IonicContact OD2-NE 2.99Å; D647-R649 PolarHBondContact OD2-NE 3.39Å; D647-R649 IonicContact OD2-NH2 3.49Å; D647-R649 PolarHBondContact OD2-NH2 3.14Å; D647-T650 HydrophobicContact CB-CG2 4.4Å; D647-T650 PolarHBondContact O-N 2.94Å; D647-T650 PolarHBondContact O-OG1 3.41Å; D647-L686 HydrophobicContact CB-CD2 3.86Å; D647-L686 VanDerWaalsContact CG-CD2 3.44Å; D647-L686 VanDerWaalsContact OD2-CD2 3.27Å; D647-L686 WeakPolarHBondContact OD2-CD2 3.2Å
648	S	87	Confident	89.2	Confident	83 Å²	83	53.5 Å²	53.5	58%	0.58	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25.6	-177.2	56	0	0	0	0	112.9	N646 T650 E651	N646-S648 PolarHBondContact O-N 3.22Å; S648-T650 PolarHBondContact O-N 3.46Å; S648-E651 WeakPolarHBondContact O-CG 3.39Å; S648-E651 PolarHBondContact O-N 3.32Å
649	R	88.4	Confident	89.5	Confident	76 Å²	76	56 Å²	56	29%	0.287	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-64.3	-20.1	175.8	-65.8	175.9	-72.4	174.3	-2.6	112.9	D647 L686	D647-R649 PolarHBondContact O-N 3.46Å; D647-R649 VanDerWaalsContact O-N 3.14Å; D647-R649 WeakPolarHBondContact OD1-CB 3.5Å; D647-R649 WeakPolarHBondContact OD1-CG 3.5Å; D647-R649 IonicContact OD1-CZ 2.71Å; D647-R649 PolarHBondContact OD1-N 2.87Å; D647-R649 IonicContact OD1-NE 2.85Å; D647-R649 PolarHBondContact OD1-NE 2.94Å; D647-R649 IonicContact OD1-NH2 3.62Å; D647-R649 IonicContact OD2-CZ 2.88Å; D647-R649 IonicContact OD2-NE 2.99Å; D647-R649 PolarHBondContact OD2-NE 3.39Å; D647-R649 IonicContact OD2-NH2 3.49Å; D647-R649 PolarHBondContact OD2-NH2 3.14Å; R649-L686 HydrophobicContact CB-CD1 3.84Å; R649-L686 HydrophobicContact CB-CD2 4.17Å; R649-L686 HydrophobicContact CB-CG 4.06Å
650	T	89.3	Confident	89.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-89.1	-6.5	-179.2	67.9	0	0	0	0	114.5	R618 I644 A645 D647 S648 R652 M653 L686	R618-T650 VanDerWaalsContact CD-O 3.29Å; R618-T650 WeakPolarHBondContact CD-O 3.38Å; R618-T650 WeakPolarHBondContact CD-OG1 3.33Å; R618-T650 PolarHBondContact NE-OG1 3.47Å; I644-T650 HydrophobicContact CG2-CG2 4.06Å; I644-T650 VanDerWaalsContact O-CG2 3.31Å; I644-T650 WeakPolarHBondContact O-CG2 3.46Å; I644-T650 PolarHBondContact O-OG1 3.48Å; A645-T650 PolarHBondContact O-OG1 3.41Å; D647-T650 HydrophobicContact CB-CG2 4.4Å; D647-T650 PolarHBondContact O-N 2.94Å; D647-T650 PolarHBondContact O-OG1 3.41Å; S648-T650 PolarHBondContact O-N 3.46Å; T650-R652 VanDerWaalsContact C-N 3.25Å; T650-R652 PolarHBondContact O-N 2.94Å; T650-R652 VanDerWaalsContact O-N 3.12Å; T650-M653 HydrophobicContact CG2-SD 3.99Å; T650-M653 PolarHBondContact O-N 3.47Å; T650-L686 HydrophobicContact CG2-CD1 3.87Å; T650-L686 HydrophobicContact CG2-CD2 4.19Å
651	E	85.9	Confident	90.2	Very high	112 Å²	112	53.8 Å²	53.8	52%	0.523	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.3	-170	-74.2	179.4	-177.3	0	0	115.3	S648	S648-E651 WeakPolarHBondContact O-CG 3.39Å; S648-E651 PolarHBondContact O-N 3.32Å
652	R	86.1	Confident	90.4	Very high	229 Å²	229	54 Å²	54	86%	0.864	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	5.3	-178.7	-63.3	-175.9	-177.3	169.1	1.7	113.9	T650	T650-R652 VanDerWaalsContact C-N 3.25Å; T650-R652 PolarHBondContact O-N 2.94Å; T650-R652 VanDerWaalsContact O-N 3.12Å
653	M	90.7	Very high	90.5	Very high	20 Å²	20	55 Å²	55	10%	0.099	28%	0.277	C	S	.	.			trans	-76.9	131.6	-176.1	-66.4	-175.8	77.5	0	0	110.5	P612 T650 D657 L658 L661 L686 L689	P612-M653 WeakPolarHBondContact CD-O 3.49Å; T650-M653 HydrophobicContact CG2-SD 3.99Å; T650-M653 PolarHBondContact O-N 3.47Å; M653-D657 HydrophobicContact CB-CB 3.87Å; M653-D657 HydrophobicContact CE-CB 3.72Å; M653-D657 VanDerWaalsContact CE-O 3.29Å; M653-D657 WeakPolarHBondContact CE-O 3.34Å; M653-D657 HydrophobicContact CG-CB 4.27Å; M653-L658 HydrophobicContact CB-CD2 3.99Å; M653-L658 HydrophobicContact CB-CG 4.1Å; M653-L658 HydrophobicContact CE-CD2 4.43Å; M653-L658 HydrophobicContact SD-CD2 4.16Å; M653-L661 HydrophobicContact CE-CB 4.14Å; M653-L661 HydrophobicContact CE-CD1 4.04Å; M653-L661 HydrophobicContact SD-CD1 4.28Å; M653-L686 HydrophobicContact SD-CD1 4.13Å; M653-L689 HydrophobicContact CE-CD1 3.83Å
654	S	91.9	Very high	90.7	Very high	8 Å²	8	52.6 Å²	52.6	6%	0.056	26%	0.264	C	S	.	.			trans	-72.9	172.1	169.9	72.5	0	0	0	0	111.4	A656 D657 L658	S654-A656 VanDerWaalsContact C-N 3.28Å; S654-A656 PolarHBondContact O-N 3.17Å; S654-D657 VanDerWaalsContact CB-OD2 3.28Å; S654-D657 WeakPolarHBondContact CB-OD2 3.29Å; S654-D657 PolarHBondContact N-OD2 3.09Å; S654-D657 PolarHBondContact O-N 3.12Å; S654-D657 VanDerWaalsContact O-N 3.14Å; S654-D657 PolarHBondContact OG-N 3.13Å; S654-D657 PolarHBondContact OG-OD2 3.4Å; S654-L658 WeakPolarHBondContact O-CG 2.99Å; S654-L658 PolarHBondContact O-N 2.92Å
655	G	90	Very high	90.8	Very high	16 Å²	16	52.6 Å²	52.6	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-40	174.9	0	0	0	0	0	112.6	G485 L658 E659	G485-G655 PolarHBondContact O-N 2.7Å; G655-L658 PolarHBondContact O-N 2.9Å; G655-E659 WeakPolarHBondContact O-CB 3.38Å; G655-E659 PolarHBondContact O-N 3.34Å
656	A	91.1	Very high	91	Very high	40 Å²	40	56 Å²	56	33%	0.331	28%	0.279	S	S	.	.	H	α-helix	trans	-66.1	-35.5	174.8	0	0	0	0	0	112.7	G485 S654 E659 N660	G485-A656 PolarHBondContact O-N 3.32Å; S654-A656 VanDerWaalsContact C-N 3.28Å; S654-A656 PolarHBondContact O-N 3.17Å; A656-E659 PolarHBondContact O-N 2.69Å; A656-N660 WeakPolarHBondContact O-CB 3.33Å; A656-N660 PolarHBondContact O-N 3.28Å
657	D	92.8	Very high	91.1	Very high	70 Å²	70	56 Å²	56	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-68.5	-39.2	176.1	-57.9	-44.2	0	0	0	111.2	M653 S654 N660 L661	M653-D657 HydrophobicContact CB-CB 3.87Å; M653-D657 HydrophobicContact CE-CB 3.72Å; M653-D657 VanDerWaalsContact CE-O 3.29Å; M653-D657 WeakPolarHBondContact CE-O 3.34Å; M653-D657 HydrophobicContact CG-CB 4.27Å; S654-D657 VanDerWaalsContact CB-OD2 3.28Å; S654-D657 WeakPolarHBondContact CB-OD2 3.29Å; S654-D657 PolarHBondContact N-OD2 3.09Å; S654-D657 PolarHBondContact O-N 3.12Å; S654-D657 VanDerWaalsContact O-N 3.14Å; S654-D657 PolarHBondContact OG-N 3.13Å; S654-D657 PolarHBondContact OG-OD2 3.4Å; D657-N660 PolarHBondContact O-N 3.24Å; D657-L661 PolarHBondContact O-N 3.35Å
658	L	92.4	Very high	91.3	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-38.1	174.3	-67.8	174.5	0	0	0	111.7	P612 V621 L622 M653 S654 G655 L661 L662	P612-L658 HydrophobicContact CG-CD1 4.09Å; V621-L658 HydrophobicContact CB-CD1 4.06Å; V621-L658 HydrophobicContact CG1-CB 4.43Å; V621-L658 HydrophobicContact CG1-CD1 3.82Å; L622-L658 HydrophobicContact CD2-CB 4.13Å; L622-L658 HydrophobicContact CD2-CD2 4.33Å; M653-L658 HydrophobicContact CB-CD2 3.99Å; M653-L658 HydrophobicContact CB-CG 4.1Å; M653-L658 HydrophobicContact CE-CD2 4.43Å; M653-L658 HydrophobicContact SD-CD2 4.16Å; S654-L658 WeakPolarHBondContact O-CG 2.99Å; S654-L658 PolarHBondContact O-N 2.92Å; G655-L658 PolarHBondContact O-N 2.9Å; L658-L661 WeakPolarHBondContact O-CB 3.33Å; L658-L661 PolarHBondContact O-N 3.4Å; L658-L662 WeakPolarHBondContact O-CG 3.49Å; L658-L662 PolarHBondContact O-N 3.33Å; L658-L662 VanDerWaalsContact O-N 3.11Å
659	E	91.6	Very high	91.6	Very high	111 Å²	111	52.9 Å²	52.9	52%	0.519	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-41.9	172.6	-172.7	174.4	-166	0	0	111.4	G655 A656 L661 L662 E663	G655-E659 WeakPolarHBondContact O-CB 3.38Å; G655-E659 PolarHBondContact O-N 3.34Å; A656-E659 PolarHBondContact O-N 2.69Å; E659-L661 VanDerWaalsContact C-N 3.34Å; E659-L661 PolarHBondContact O-N 3.27Å; E659-L662 WeakPolarHBondContact O-CB 3.21Å; E659-L662 PolarHBondContact O-N 2.99Å; E659-E663 PolarHBondContact O-N 2.87Å
660	N	92.8	Very high	91.9	Very high	76 Å²	76	56.3 Å²	56.3	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-36.4	175.3	-169	37	0	0	0	112.2	A656 D657 L662 E663 L664 L689	A656-N660 WeakPolarHBondContact O-CB 3.33Å; A656-N660 PolarHBondContact O-N 3.28Å; D657-N660 PolarHBondContact O-N 3.24Å; N660-L662 VanDerWaalsContact C-N 3.33Å; N660-L662 PolarHBondContact O-N 3.25Å; N660-E663 PolarHBondContact O-N 3.23Å; N660-L664 WeakPolarHBondContact O-CG 3.32Å; N660-L664 PolarHBondContact O-N 3.14Å; N660-L689 WeakPolarHBondContact ND2-CD2 3.42Å
661	L	93.2	Very high	92.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-45.9	171.1	-178.9	157.3	0	0	0	111.3	I644 M653 D657 L658 E659 E663 L664 A665 L682 L686 L689	I644-L661 HydrophobicContact CG2-CD1 4.33Å; I644-L661 HydrophobicContact CG2-CD2 4.43Å; M653-L661 HydrophobicContact CE-CB 4.14Å; M653-L661 HydrophobicContact CE-CD1 4.04Å; M653-L661 HydrophobicContact SD-CD1 4.28Å; D657-L661 PolarHBondContact O-N 3.35Å; L658-L661 WeakPolarHBondContact O-CB 3.33Å; L658-L661 PolarHBondContact O-N 3.4Å; E659-L661 VanDerWaalsContact C-N 3.34Å; E659-L661 PolarHBondContact O-N 3.27Å; L661-E663 VanDerWaalsContact C-N 3.32Å; L661-L664 PolarHBondContact O-N 3.35Å; L661-A665 WeakPolarHBondContact O-CB 3.38Å; L661-A665 PolarHBondContact O-N 2.84Å; L661-L682 HydrophobicContact CD2-CD2 3.98Å; L661-L686 HydrophobicContact CD1-CB 4.06Å; L661-L686 HydrophobicContact CD1-CD1 3.59Å; L661-L686 HydrophobicContact CD1-CG 4.33Å; L661-L689 HydrophobicContact CB-CD1 3.59Å; L661-L689 HydrophobicContact CD1-CD1 4.49Å; L661-L689 HydrophobicContact CG-CD1 4.21Å
662	L	92.4	Very high	92.5	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-38.5	177	-68.7	169.8	0	0	0	111.3	L622 C625 T626 L641 L658 E659 N660 A665 K666 L682	L622-L662 HydrophobicContact CD2-CD1 3.96Å; L622-L662 HydrophobicContact CD2-CD2 4.23Å; L622-L662 HydrophobicContact CD2-CG 4.06Å; C625-L662 HydrophobicContact CB-CD1 3.55Å; T626-L662 HydrophobicContact CG2-CD1 3.6Å; T626-L662 HydrophobicContact CG2-CD2 3.88Å; T626-L662 HydrophobicContact CG2-CG 4.38Å; L641-L662 HydrophobicContact CD2-CD2 4.49Å; L658-L662 WeakPolarHBondContact O-CG 3.49Å; L658-L662 PolarHBondContact O-N 3.33Å; L658-L662 VanDerWaalsContact O-N 3.11Å; E659-L662 WeakPolarHBondContact O-CB 3.21Å; E659-L662 PolarHBondContact O-N 2.99Å; N660-L662 VanDerWaalsContact C-N 3.33Å; N660-L662 PolarHBondContact O-N 3.25Å; L662-A665 PolarHBondContact O-N 3.29Å; L662-K666 VanDerWaalsContact O-CG 3.3Å; L662-K666 WeakPolarHBondContact O-CG 3.34Å; L662-K666 PolarHBondContact O-N 3.12Å; L662-L682 HydrophobicContact CD2-CD2 4.02Å
663	E	93.1	Very high	92.7	Very high	101 Å²	101	59.7 Å²	59.7	47%	0.472	30%	0.298	S	S	.	.	H	α-helix	trans	-65.5	-44	177.9	-162	58.5	-153.6	0	0	112.2	E659 N660 L661 A665 K666 Q667	E659-E663 PolarHBondContact O-N 2.87Å; N660-E663 PolarHBondContact O-N 3.23Å; L661-E663 VanDerWaalsContact C-N 3.32Å; E663-A665 VanDerWaalsContact C-N 3.31Å; E663-A665 PolarHBondContact O-N 3Å; E663-K666 WeakPolarHBondContact O-CB 3.36Å; E663-K666 PolarHBondContact O-N 3Å; E663-K666 IonicContact OE2-NZ 3.48Å; E663-K666 PolarHBondContact OE2-NZ 2.68Å; E663-Q667 PolarHBondContact O-N 3.29Å
664	L	93.9	Very high	92.7	Very high	24 Å²	24	62 Å²	62	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-38.7	172.6	-72.2	172.9	0	0	0	112	N660 L661 Q667 K668 A685 L689	N660-L664 WeakPolarHBondContact O-CG 3.32Å; N660-L664 PolarHBondContact O-N 3.14Å; L661-L664 PolarHBondContact O-N 3.35Å; L664-Q667 WeakPolarHBondContact O-CB 3.41Å; L664-Q667 PolarHBondContact O-N 2.88Å; L664-K668 WeakPolarHBondContact O-CG 3.4Å; L664-K668 PolarHBondContact O-N 3.5Å; L664-A685 HydrophobicContact CB-CB 3.87Å; L664-L689 HydrophobicContact CD1-CD1 3.97Å; L664-L689 HydrophobicContact CD1-CD2 3.42Å; L664-L689 VanDerWaalsContact CD1-CD2 3.42Å; L664-L689 HydrophobicContact CD1-CG 3.48Å; L664-L689 VanDerWaalsContact CD1-CG 3.48Å
665	A	93.2	Very high	92.6	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-65.5	-38	176.3	0	0	0	0	0	112.3	L661 L662 E663 K668 A669 V677 L682 A685	L661-A665 WeakPolarHBondContact O-CB 3.38Å; L661-A665 PolarHBondContact O-N 2.84Å; L662-A665 PolarHBondContact O-N 3.29Å; E663-A665 VanDerWaalsContact C-N 3.31Å; E663-A665 PolarHBondContact O-N 3Å; A665-K668 PolarHBondContact O-N 3.01Å; A665-A669 PolarHBondContact O-N 2.92Å; A665-V677 HydrophobicContact CB-CG1 3.83Å; A665-L682 HydrophobicContact CB-CD2 3.47Å; A665-L682 VanDerWaalsContact CB-CD2 3.47Å; A665-L682 HydrophobicContact CB-CG 4.05Å; A665-A685 HydrophobicContact CB-CB 4.01Å
666	K	93.6	Very high	92.6	Very high	72 Å²	72	72.5 Å²	72.5	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-44.1	171.2	-68.2	170.9	-151.8	163.4	0	111.2	P632 L662 E663 K668 A669 Q670 V677	P632-K666 HydrophobicContact CB-CG 4.47Å; P632-K666 HydrophobicContact CG-CD 4.36Å; P632-K666 HydrophobicContact CG-CG 4.01Å; L662-K666 VanDerWaalsContact O-CG 3.3Å; L662-K666 WeakPolarHBondContact O-CG 3.34Å; L662-K666 PolarHBondContact O-N 3.12Å; E663-K666 WeakPolarHBondContact O-CB 3.36Å; E663-K666 PolarHBondContact O-N 3Å; E663-K666 IonicContact OE2-NZ 3.48Å; E663-K666 PolarHBondContact OE2-NZ 2.68Å; K666-K668 VanDerWaalsContact C-N 3.32Å; K666-K668 PolarHBondContact O-N 3.44Å; K666-A669 WeakPolarHBondContact O-CB 3.34Å; K666-A669 PolarHBondContact O-N 3.44Å; K666-Q670 WeakPolarHBondContact O-CB 3.44Å; K666-Q670 PolarHBondContact O-N 3.4Å; K666-V677 HydrophobicContact CG-CG2 4.25Å
667	Q	94.5	Very high	92.6	Very high	102 Å²	102	70.8 Å²	70.8	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-42.2	177.3	-171.8	-177.6	8.5	0	0	111.6	E663 L664 Q670 I671	E663-Q667 PolarHBondContact O-N 3.29Å; L664-Q667 WeakPolarHBondContact O-CB 3.41Å; L664-Q667 PolarHBondContact O-N 2.88Å; Q667-Q670 WeakPolarHBondContact O-CB 3.39Å; Q667-Q670 PolarHBondContact O-N 3Å; Q667-I671 HydrophobicContact CG-CD1 4.29Å; Q667-I671 WeakPolarHBondContact O-CG1 3.27Å; Q667-I671 PolarHBondContact O-N 2.9Å
668	K	93.8	Very high	92.5	Very high	42 Å²	42	67.9 Å²	67.9	18%	0.183	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-43.1	175.8	-70.5	-175.7	-172.6	-159.6	0	112.4	L664 A665 K666 Q670 I671 A672 N681 D684 A685 E688	L664-K668 WeakPolarHBondContact O-CG 3.4Å; L664-K668 PolarHBondContact O-N 3.5Å; A665-K668 PolarHBondContact O-N 3.01Å; K666-K668 VanDerWaalsContact C-N 3.32Å; K666-K668 PolarHBondContact O-N 3.44Å; K668-Q670 VanDerWaalsContact C-N 3.28Å; K668-Q670 PolarHBondContact O-N 3.29Å; K668-I671 PolarHBondContact O-N 3.44Å; K668-A672 WeakPolarHBondContact O-CB 3.26Å; K668-A672 PolarHBondContact O-N 3.3Å; K668-N681 HydrophobicContact CB-CB 4.19Å; K668-D684 HydrophobicContact CD-CB 3.73Å; K668-D684 PolarHBondContact NZ-O 3.36Å; K668-A685 HydrophobicContact CD-CB 4.48Å; K668-E688 WeakPolarHBondContact CE-OE2 3.42Å; K668-E688 IonicContact NZ-OE2 3.89Å; K668-E688 PolarHBondContact NZ-OE2 3.03Å
669	A	92.8	Very high	92.3	Very high	4 Å²	4	70.7 Å²	70.7	3%	0.033	34%	0.34	C	S	.	.	H	α-helix	trans	-58.3	-42.6	173.4	0	0	0	0	0	111.5	A665 K666 A672 R673 Q674 V677 N681	A665-A669 PolarHBondContact O-N 2.92Å; K666-A669 WeakPolarHBondContact O-CB 3.34Å; K666-A669 PolarHBondContact O-N 3.44Å; A669-A672 CarbonylContact O-C 3.41Å; A669-A672 PolarHBondContact O-N 3.1Å; A669-R673 PolarHBondContact O-N 2.98Å; A669-R673 VanDerWaalsContact O-N 3.07Å; A669-Q674 HydrophobicContact CB-CB 4.4Å; A669-Q674 PolarHBondContact O-N 3.02Å; A669-V677 HydrophobicContact CB-CG2 4.29Å; A669-N681 WeakPolarHBondContact CA-ND2 3.47Å; A669-N681 WeakPolarHBondContact CB-ND2 3.22Å
670	Q	94.4	Very high	92.3	Very high	149 Å²	149	67.9 Å²	67.9	70%	0.696	34%	0.336	S	S	*	.	H	α-helix	trans	-64	-43.4	177.5	-171	-179.6	11.9	0	0	112.3	K666 Q667 K668 A672 R673	K666-Q670 WeakPolarHBondContact O-CB 3.44Å; K666-Q670 PolarHBondContact O-N 3.4Å; Q667-Q670 WeakPolarHBondContact O-CB 3.39Å; Q667-Q670 PolarHBondContact O-N 3Å; K668-Q670 VanDerWaalsContact C-N 3.28Å; K668-Q670 PolarHBondContact O-N 3.29Å; Q670-A672 VanDerWaalsContact C-N 3.28Å; Q670-A672 PolarHBondContact O-N 3.32Å; Q670-R673 PolarHBondContact O-N 3.46Å
671	I	94.4	Very high	92.2	Very high	129 Å²	129	64.9 Å²	64.9	66%	0.662	32%	0.319	S	S	*	.	H	α-helix	trans	-61.4	-39.6	175	-68.3	165.2	0	0	0	110.6	Q667 K668 R673	Q667-I671 HydrophobicContact CG-CD1 4.29Å; Q667-I671 WeakPolarHBondContact O-CG1 3.27Å; Q667-I671 PolarHBondContact O-N 2.9Å; K668-I671 PolarHBondContact O-N 3.44Å; I671-R673 PolarHBondContact O-N 2.99Å
672	A	93.3	Very high	92.1	Very high	52 Å²	52	64.9 Å²	64.9	43%	0.43	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-1.2	175.2	0	0	0	0	0	114.1	K668 A669 Q670 Q674	K668-A672 WeakPolarHBondContact O-CB 3.26Å; K668-A672 PolarHBondContact O-N 3.3Å; A669-A672 CarbonylContact O-C 3.41Å; A669-A672 PolarHBondContact O-N 3.1Å; Q670-A672 VanDerWaalsContact C-N 3.28Å; Q670-A672 PolarHBondContact O-N 3.32Å; A672-Q674 VanDerWaalsContact C-N 3.26Å; A672-Q674 HydrophobicContact CB-CG 4Å; A672-Q674 PolarHBondContact O-N 3.37Å
673	R	91.3	Very high	92.1	Very high	231 Å²	231	67.2 Å²	67.2	87%	0.872	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	39.3	-174.2	-56.9	-177.8	178	-176.4	-1.2	113.1	A669 Q670 I671	A669-R673 PolarHBondContact O-N 2.98Å; A669-R673 VanDerWaalsContact O-N 3.07Å; Q670-R673 PolarHBondContact O-N 3.46Å; I671-R673 PolarHBondContact O-N 2.99Å
674	Q	90	Very high	92	Very high	67 Å²	67	66.3 Å²	66.3	31%	0.313	33%	0.33	S	S	.	.			trans	-99.8	135.1	175.3	-64.6	177.1	-17.6	0	0	110.2	A669 A672 F676 N681	A669-Q674 HydrophobicContact CB-CB 4.4Å; A669-Q674 PolarHBondContact O-N 3.02Å; A672-Q674 VanDerWaalsContact C-N 3.26Å; A672-Q674 HydrophobicContact CB-CG 4Å; A672-Q674 PolarHBondContact O-N 3.37Å; Q674-F676 WeakPolarHBondContact CB-O 3.31Å; Q674-F676 PolarHBondContact O-N 3.14Å; Q674-N681 PolarHBondContact OE1-ND2 2.98Å
675	D	89.5	Confident	91.9	Very high	166 Å²	166	65.1 Å²	65.1	89%	0.888	32%	0.324	S	S	*	.	S	Bend	trans	-80.8	-3.1	174.7	-61.2	-34.6	0	0	0	113
676	F	90.4	Very high	91.8	Very high	79 Å²	79	65.2 Å²	65.2	35%	0.346	33%	0.325	S	S	.	.	S	Bend	trans	-133.6	155.6	179.6	65.7	-89.4	0	0	0	110.5	R633 E635 Q674	R633-F676 HydrophobicContact CB-CB 4.31Å; R633-F676 HydrophobicContact CG-CB 4.34Å; R633-F676 CarbonylContact O-C 3.59Å; R633-F676 VanDerWaalsContact O-CA 3.32Å; R633-F676 WeakPolarHBondContact O-CA 3.4Å; R633-F676 WeakPolarHBondContact O-CB 3.42Å; E635-F676 HydrophobicContact CB-CD2 4.08Å; E635-F676 HydrophobicContact CB-CE2 4.18Å; E635-F676 HydrophobicContact CG-CE2 4.46Å; Q674-F676 WeakPolarHBondContact CB-O 3.31Å; Q674-F676 PolarHBondContact O-N 3.14Å
677	V	90.6	Very high	91.6	Very high	5 Å²	5	64 Å²	64	3%	0.03	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-88.8	110.6	176.4	-177.5	0	0	0	0	108.6	P632 R633 I634 E635 A665 K666 A669 N681 L682	P632-V677 HydrophobicContact CB-CG2 4Å; P632-V677 HydrophobicContact CG-CG2 3.85Å; R633-V677 PolarHBondContact O-N 3.41Å; I634-V677 WeakPolarHBondContact CA-O 3.35Å; E635-V677 PolarHBondContact N-O 3.29Å; A665-V677 HydrophobicContact CB-CG1 3.83Å; K666-V677 HydrophobicContact CG-CG2 4.25Å; A669-V677 HydrophobicContact CB-CG2 4.29Å; V677-N681 HydrophobicContact CG1-CB 4.19Å; V677-L682 HydrophobicContact CG1-CD1 3.98Å; V677-L682 HydrophobicContact CG1-CD2 3.98Å; V677-L682 HydrophobicContact CG1-CG 3.69Å
678	S	90.8	Very high	91.3	Very high	9 Å²	9	63.5 Å²	63.5	6%	0.063	32%	0.323	C	S	.	.			trans	-72.6	160.2	174.4	71.7	0	0	0	0	112.2	E635 A680 N681 L682	E635-S678 WeakPolarHBondContact OE2-CA 3.43Å; E635-S678 WeakPolarHBondContact OE2-CB 3.42Å; S678-A680 PolarHBondContact O-N 2.73Å; S678-N681 PolarHBondContact N-ND2 3.18Å; S678-N681 PolarHBondContact O-N 3.19Å; S678-N681 PolarHBondContact OG-N 3.21Å; S678-N681 PolarHBondContact OG-ND2 3.36Å; S678-N681 VanDerWaalsContact OG-ND2 3.07Å; S678-N681 PolarHBondContact OG-OD1 2.86Å; S678-L682 PolarHBondContact O-N 2.96Å
679	Q	89.2	Confident	90.9	Very high	59 Å²	59	64.2 Å²	64.2	28%	0.276	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-35.2	174.2	-174.5	-178.4	-11.4	0	0	111.9	E635 L682 L683	E635-Q679 PolarHBondContact OE2-N 3.36Å; E635-Q679 VanDerWaalsContact OE2-N 3.09Å; Q679-L682 PolarHBondContact O-N 3.09Å; Q679-L683 HydrophobicContact CG-CD1 4.41Å; Q679-L683 PolarHBondContact O-N 3.47Å; Q679-L683 VanDerWaalsContact O-N 3.14Å
680	A	90.6	Very high	90	Very high	52 Å²	52	70.1 Å²	70.1	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176.8	0	0	0	0	0	111.7	S678 L682 L683 D684	S678-A680 PolarHBondContact O-N 2.73Å; A680-L682 VanDerWaalsContact C-N 3.26Å; A680-L682 PolarHBondContact O-N 3.01Å; A680-L683 PolarHBondContact O-N 2.6Å; A680-D684 WeakPolarHBondContact O-CB 3.44Å; A680-D684 VanDerWaalsContact O-CG 3.29Å; A680-D684 PolarHBondContact O-N 3.38Å
681	N	91.9	Very high	88.1	Confident	13 Å²	13	73.8 Å²	73.8	7%	0.07	37%	0.369	C	S	.	.	H	α-helix	trans	-59.6	-37.5	178.7	-62	-19.9	0	0	0	112	K668 A669 Q674 V677 S678 A685	K668-N681 HydrophobicContact CB-CB 4.19Å; A669-N681 WeakPolarHBondContact CA-ND2 3.47Å; A669-N681 WeakPolarHBondContact CB-ND2 3.22Å; Q674-N681 PolarHBondContact OE1-ND2 2.98Å; V677-N681 HydrophobicContact CG1-CB 4.19Å; S678-N681 PolarHBondContact N-ND2 3.18Å; S678-N681 PolarHBondContact O-N 3.19Å; S678-N681 PolarHBondContact OG-N 3.21Å; S678-N681 PolarHBondContact OG-ND2 3.36Å; S678-N681 VanDerWaalsContact OG-ND2 3.07Å; S678-N681 PolarHBondContact OG-OD1 2.86Å; N681-A685 VanDerWaalsContact O-CB 3.3Å; N681-A685 WeakPolarHBondContact O-CB 3.4Å; N681-A685 PolarHBondContact O-N 2.92Å
682	L	91.2	Very high	87.7	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-71	-43.2	178.7	-69.6	157	0	0	0	112.2	I634 I644 L661 L662 A665 V677 S678 Q679 A680 D684 A685 L686	I634-L682 HydrophobicContact CG2-CD1 3.8Å; I644-L682 HydrophobicContact CD1-CB 3.38Å; I644-L682 HydrophobicContact CD1-CD1 3.42Å; I644-L682 VanDerWaalsContact CD1-CD1 3.42Å; I644-L682 HydrophobicContact CD1-CD2 3.77Å; I644-L682 HydrophobicContact CD1-CG 3.66Å; I644-L682 HydrophobicContact CG1-CB 4.21Å; L661-L682 HydrophobicContact CD2-CD2 3.98Å; L662-L682 HydrophobicContact CD2-CD2 4.02Å; A665-L682 HydrophobicContact CB-CD2 3.47Å; A665-L682 VanDerWaalsContact CB-CD2 3.47Å; A665-L682 HydrophobicContact CB-CG 4.05Å; V677-L682 HydrophobicContact CG1-CD1 3.98Å; V677-L682 HydrophobicContact CG1-CD2 3.98Å; V677-L682 HydrophobicContact CG1-CG 3.69Å; S678-L682 PolarHBondContact O-N 2.96Å; Q679-L682 PolarHBondContact O-N 3.09Å; A680-L682 VanDerWaalsContact C-N 3.26Å; A680-L682 PolarHBondContact O-N 3.01Å; L682-D684 VanDerWaalsContact C-N 3.34Å; L682-A685 PolarHBondContact O-N 3.15Å; L682-L686 WeakPolarHBondContact O-CB 3.35Å; L682-L686 PolarHBondContact O-N 3.01Å
683	L	91.4	Very high	87.4	Confident	56 Å²	56	72.1 Å²	72.1	29%	0.293	35%	0.35	S	S	.	.	H	α-helix	trans	-65.4	-39.4	176	-71.1	173.4	0	0	0	111.7	L643 Q679 A680 L686 S687	L643-L683 HydrophobicContact CD2-CD2 4.17Å; Q679-L683 HydrophobicContact CG-CD1 4.41Å; Q679-L683 PolarHBondContact O-N 3.47Å; Q679-L683 VanDerWaalsContact O-N 3.14Å; A680-L683 PolarHBondContact O-N 2.6Å; L683-L686 PolarHBondContact O-N 3.18Å; L683-S687 PolarHBondContact O-N 3.37Å
684	D	91.4	Very high	87.2	Confident	81 Å²	81	63.2 Å²	63.2	43%	0.433	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-43.6	175.2	-74.7	-12.3	0	0	0	110.8	K668 A680 L682 L686 S687 E688	K668-D684 HydrophobicContact CD-CB 3.73Å; K668-D684 PolarHBondContact NZ-O 3.36Å; A680-D684 WeakPolarHBondContact O-CB 3.44Å; A680-D684 VanDerWaalsContact O-CG 3.29Å; A680-D684 PolarHBondContact O-N 3.38Å; L682-D684 VanDerWaalsContact C-N 3.34Å; D684-L686 VanDerWaalsContact C-N 3.34Å; D684-S687 PolarHBondContact O-N 3.34Å; D684-S687 PolarHBondContact O-OG 3.26Å; D684-E688 PolarHBondContact O-N 3.31Å
685	A	91.6	Very high	87.1	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-43.8	175.3	0	0	0	0	0	111.5	L664 A665 K668 N681 L682 S687 E688 L689	L664-A685 HydrophobicContact CB-CB 3.87Å; A665-A685 HydrophobicContact CB-CB 4.01Å; K668-A685 HydrophobicContact CD-CB 4.48Å; N681-A685 VanDerWaalsContact O-CB 3.3Å; N681-A685 WeakPolarHBondContact O-CB 3.4Å; N681-A685 PolarHBondContact O-N 2.92Å; L682-A685 PolarHBondContact O-N 3.15Å; A685-S687 VanDerWaalsContact C-N 3.31Å; A685-S687 PolarHBondContact O-N 3.08Å; A685-E688 PolarHBondContact O-N 3.43Å; A685-E688 VanDerWaalsContact O-N 3.14Å; A685-L689 PolarHBondContact O-N 3.19Å; A685-L689 VanDerWaalsContact O-N 3.13Å
686	L	90.4	Very high	86.9	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-35.2	176.4	-176	60.6	0	0	0	112.5	D647 R649 T650 M653 L661 L682 L683 D684 E688 H690	D647-L686 HydrophobicContact CB-CD2 3.86Å; D647-L686 VanDerWaalsContact CG-CD2 3.44Å; D647-L686 VanDerWaalsContact OD2-CD2 3.27Å; D647-L686 WeakPolarHBondContact OD2-CD2 3.2Å; R649-L686 HydrophobicContact CB-CD1 3.84Å; R649-L686 HydrophobicContact CB-CD2 4.17Å; R649-L686 HydrophobicContact CB-CG 4.06Å; T650-L686 HydrophobicContact CG2-CD1 3.87Å; T650-L686 HydrophobicContact CG2-CD2 4.19Å; M653-L686 HydrophobicContact SD-CD1 4.13Å; L661-L686 HydrophobicContact CD1-CB 4.06Å; L661-L686 HydrophobicContact CD1-CD1 3.59Å; L661-L686 HydrophobicContact CD1-CG 4.33Å; L682-L686 WeakPolarHBondContact O-CB 3.35Å; L682-L686 PolarHBondContact O-N 3.01Å; L683-L686 PolarHBondContact O-N 3.18Å; D684-L686 VanDerWaalsContact C-N 3.34Å; L686-E688 PolarHBondContact O-N 3.27Å; L686-H690 PolarHBondContact O-N 3.49Å
687	S	89.1	Confident	86.7	Confident	46 Å²	46	55.1 Å²	55.1	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-67.4	-25.3	175.3	79.8	0	0	0	0	113.6	L683 D684 A685	L683-S687 PolarHBondContact O-N 3.37Å; D684-S687 PolarHBondContact O-N 3.34Å; D684-S687 PolarHBondContact O-OG 3.26Å; A685-S687 VanDerWaalsContact C-N 3.31Å; A685-S687 PolarHBondContact O-N 3.08Å
688	E	89.1	Confident	86.4	Confident	91 Å²	91	58.6 Å²	58.6	43%	0.425	30%	0.3	S	S	.	.	H	α-helix	trans	-84.4	-42	-179	-173.6	171.5	170.8	0	0	111.9	K668 D684 A685 L686 H690 K691	K668-E688 WeakPolarHBondContact CE-OE2 3.42Å; K668-E688 IonicContact NZ-OE2 3.89Å; K668-E688 PolarHBondContact NZ-OE2 3.03Å; D684-E688 PolarHBondContact O-N 3.31Å; A685-E688 PolarHBondContact O-N 3.43Å; A685-E688 VanDerWaalsContact O-N 3.14Å; L686-E688 PolarHBondContact O-N 3.27Å; E688-H690 PolarHBondContact O-N 2.87Å; E688-K691 PolarHBondContact O-N 3.44Å
689	L	85.1	Confident	86.1	Confident	57 Å²	57	62.5 Å²	62.5	30%	0.298	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-21.3	177.6	-75.2	176.5	0	0	0	114.4	M653 N660 L661 L664 A685	M653-L689 HydrophobicContact CE-CD1 3.83Å; N660-L689 WeakPolarHBondContact ND2-CD2 3.42Å; L661-L689 HydrophobicContact CB-CD1 3.59Å; L661-L689 HydrophobicContact CD1-CD1 4.49Å; L661-L689 HydrophobicContact CG-CD1 4.21Å; L664-L689 HydrophobicContact CD1-CD1 3.97Å; L664-L689 HydrophobicContact CD1-CD2 3.42Å; L664-L689 VanDerWaalsContact CD1-CD2 3.42Å; L664-L689 HydrophobicContact CD1-CG 3.48Å; L664-L689 VanDerWaalsContact CD1-CG 3.48Å; A685-L689 PolarHBondContact O-N 3.19Å; A685-L689 VanDerWaalsContact O-N 3.13Å
690	H	73.3	Confident	85.8	Confident	128 Å²	128	62.8 Å²	62.8	59%	0.593	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-1.1	-178.9	-154.2	-73.9	0	0	0	113.1	L686 E688	L686-H690 PolarHBondContact O-N 3.49Å; E688-H690 PolarHBondContact O-N 2.87Å
691	K	54.5	Low	85.4	Confident	227 Å²	227	63.7 Å²	63.7	99%	0.987	31%	0.312	S	S	*	.			trans	-83.6	0	169.4	-69.2	178.3	-177.8	176.7	0	109.9	E688	E688-K691 PolarHBondContact O-N 3.44Å

Retrieved 691 of 691 residues in 319.2 ms (Link to these results)

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