A0A087X4A7_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087X4A7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 570 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	51.4	Low	59.5	Low	233 Å²	233	130.8 Å²	130.8	100%	1.148	65%	0.654	S	S	*	*				0	58.4	0	-63.6	168.9	170	0	0	113.5
2	P	52.3	Low	60.3	Low	108 Å²	108	122.8 Å²	122.8	70%	0.701	63%	0.629	S	S	*	*			trans	-113.5	-8.4	172.8	38.4	-28.7	0	0	0	115.2
3	S	57.8	Low	61.2	Low	73 Å²	73	118.1 Å²	118.1	51%	0.51	61%	0.613	S	S	.	*	H	α-helix	trans	-81.3	-25.5	-170.6	178.7	0	0	0	0	114.3
4	V	56.7	Low	62.1	Low	93 Å²	93	118.3 Å²	118.3	56%	0.564	61%	0.614	S	S	*	*	H	α-helix	trans	-79.8	-39.6	-174.2	-178.8	0	0	0	0	111.1	L6 R7 Y8	V4-L6 PolarHBondContact O-N 3.2Å; V4-R7 PolarHBondContact O-N 2.74Å; V4-Y8 HydrophobicContact CG1-CD2 3.74Å; V4-Y8 HydrophobicContact CG1-CE2 3.39Å; V4-Y8 WeakPolarHBondContact O-CD2 3.4Å; V4-Y8 PolarHBondContact O-N 3.42Å
5	T	58.1	Low	63	Low	105 Å²	105	116.3 Å²	116.3	64%	0.644	61%	0.609	S	S	*	*	H	α-helix	trans	-69.2	-35.3	-176.1	-28.4	0	0	0	0	113	F9	T5-F9 WeakPolarHBondContact O-CB 3.46Å; T5-F9 PolarHBondContact O-N 3.28Å; T5-F9 VanDerWaalsContact O-N 3.08Å
6	L	59.5	Low	63.8	Low	119 Å²	119	113.9 Å²	113.9	62%	0.623	60%	0.601	S	S	*	*	H	α-helix	trans	-71.2	-35.8	178.6	-165.4	71.7	0	0	0	112.1	V4 F9 C10	V4-L6 PolarHBondContact O-N 3.2Å; L6-F9 PolarHBondContact O-N 3.48Å; L6-C10 PolarHBondContact O-N 3.4Å; L6-C10 PolarHBondContact O-SG 3.04Å; L6-C10 VanDerWaalsContact O-SG 3.4Å
7	R	55.8	Low	64.5	Low	173 Å²	173	111.5 Å²	111.5	65%	0.653	60%	0.595	S	S	*	*	H	α-helix	trans	-64.6	-46.3	175.6	-76	-178	176	-176.1	-0.7	111.1	V4 F9 C10 Y11	V4-R7 PolarHBondContact O-N 2.74Å; R7-F9 VanDerWaalsContact C-N 3.34Å; R7-F9 PolarHBondContact O-N 3.17Å; R7-C10 PolarHBondContact O-N 3.07Å; R7-Y11 WeakPolarHBondContact O-CD2 3.46Å; R7-Y11 PolarHBondContact O-N 3.02Å
8	Y	62	Low	65.3	Low	171 Å²	171	108.3 Å²	108.3	67%	0.671	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-33.2	177.7	-73.1	-66.7	0	0	0	113.3	V4 G12	V4-Y8 HydrophobicContact CG1-CD2 3.74Å; V4-Y8 HydrophobicContact CG1-CE2 3.39Å; V4-Y8 WeakPolarHBondContact O-CD2 3.4Å; V4-Y8 PolarHBondContact O-N 3.42Å; Y8-G12 PolarHBondContact O-N 3.29Å
9	F	68.3	Low	66.1	Low	140 Å²	140	106.1 Å²	106.1	61%	0.614	58%	0.577	S	S	*	*	H	α-helix	trans	-65.9	-44.8	173.7	-171.8	-99.3	0	0	0	112.1	T5 L6 R7 G12 C13	T5-F9 WeakPolarHBondContact O-CB 3.46Å; T5-F9 PolarHBondContact O-N 3.28Å; T5-F9 VanDerWaalsContact O-N 3.08Å; L6-F9 PolarHBondContact O-N 3.48Å; R7-F9 VanDerWaalsContact C-N 3.34Å; R7-F9 PolarHBondContact O-N 3.17Å; F9-G12 PolarHBondContact O-N 2.89Å; F9-C13 PolarHBondContact O-N 3.22Å; F9-C13 PolarHBondContact O-SG 2.65Å
10	C	64.1	Low	66.6	Low	66 Å²	66	109.3 Å²	109.3	45%	0.446	58%	0.581	S	S	.	*	H	α-helix	trans	-66.3	-38.3	176.6	-69.6	0	0	0	0	112.7	L6 R7 G12 C13 L14	L6-C10 PolarHBondContact O-N 3.4Å; L6-C10 PolarHBondContact O-SG 3.04Å; L6-C10 VanDerWaalsContact O-SG 3.4Å; R7-C10 PolarHBondContact O-N 3.07Å; C10-G12 VanDerWaalsContact C-N 3.35Å; C10-C13 PolarHBondContact O-N 3.3Å; C10-L14 WeakPolarHBondContact O-CB 3.35Å; C10-L14 PolarHBondContact O-N 3.33Å
11	Y	68.6	Low	67.2	Low	158 Å²	158	107.3 Å²	107.3	62%	0.62	58%	0.576	S	S	*	*	H	α-helix	trans	-64.6	-39.5	172.2	-80.6	-67.3	0	0	0	111.7	R7 L14 V15	R7-Y11 WeakPolarHBondContact O-CD2 3.46Å; R7-Y11 PolarHBondContact O-N 3.02Å; Y11-L14 PolarHBondContact O-N 3.01Å; Y11-V15 WeakPolarHBondContact O-CB 3.45Å; Y11-V15 WeakPolarHBondContact O-CG2 3.5Å; Y11-V15 PolarHBondContact O-N 2.91Å
12	G	68.9	Low	68.5	Low	34 Å²	34	100.2 Å²	100.2	35%	0.351	55%	0.546	S	S	.	.	H	α-helix	trans	-59.5	-46.4	173.6	0	0	0	0	0	112.7	Y8 F9 C10 V15 T16	Y8-G12 PolarHBondContact O-N 3.29Å; F9-G12 PolarHBondContact O-N 2.89Å; C10-G12 VanDerWaalsContact C-N 3.35Å; G12-V15 PolarHBondContact O-N 3.26Å; G12-T16 WeakPolarHBondContact O-CB 3.28Å; G12-T16 VanDerWaalsContact O-CG2 3.28Å; G12-T16 WeakPolarHBondContact O-CG2 3.4Å; G12-T16 PolarHBondContact O-N 2.77Å; G12-T16 PolarHBondContact O-OG1 3.09Å
13	C	71.6	Confident	69.7	Low	62 Å²	62	100.1 Å²	100.1	42%	0.419	54%	0.538	S	S	.	.	H	α-helix	trans	-67.9	-36.6	178.2	-69	0	0	0	0	113.5	F9 C10 T16 S17	F9-C13 PolarHBondContact O-N 3.22Å; F9-C13 PolarHBondContact O-SG 2.65Å; C10-C13 PolarHBondContact O-N 3.3Å; C13-T16 WeakPolarHBondContact CA-OG1 3.25Å; C13-T16 PolarHBondContact O-OG1 3.1Å; C13-T16 VanDerWaalsContact O-OG1 3.12Å; C13-S17 VanDerWaalsContact O-CB 3.23Å; C13-S17 WeakPolarHBondContact O-CB 3.45Å; C13-S17 PolarHBondContact O-N 2.87Å
14	L	73.9	Confident	70.3	Confident	121 Å²	121	100.5 Å²	100.5	63%	0.634	53%	0.534	S	S	*	.	H	α-helix	trans	-68.6	-42.2	175.7	-95.9	152.2	0	0	0	111.8	C10 Y11 A18	C10-L14 WeakPolarHBondContact O-CB 3.35Å; C10-L14 PolarHBondContact O-N 3.33Å; Y11-L14 PolarHBondContact O-N 3.01Å; L14-A18 VanDerWaalsContact O-CB 3.27Å; L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 2.88Å
15	V	75.9	Confident	71.1	Confident	89 Å²	89	102.3 Å²	102.3	54%	0.539	53%	0.532	S	S	.	.	H	α-helix	trans	-68.9	-41.5	178.3	173.2	0	0	0	0	110.8	Y11 G12 A18 T19	Y11-V15 WeakPolarHBondContact O-CB 3.45Å; Y11-V15 WeakPolarHBondContact O-CG2 3.5Å; Y11-V15 PolarHBondContact O-N 2.91Å; G12-V15 PolarHBondContact O-N 3.26Å; V15-A18 PolarHBondContact O-N 2.74Å; V15-T19 HydrophobicContact CG1-CG2 4.34Å; V15-T19 WeakPolarHBondContact O-CB 3.45Å; V15-T19 VanDerWaalsContact O-CG2 3.29Å; V15-T19 WeakPolarHBondContact O-CG2 3.35Å; V15-T19 PolarHBondContact O-N 2.89Å; V15-T19 PolarHBondContact O-OG1 2.87Å
16	T	75.8	Confident	71.6	Confident	78 Å²	78	100.9 Å²	100.9	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-66.3	-40.2	176.5	54	0	0	0	0	112.1	G12 C13 T19 W20	G12-T16 WeakPolarHBondContact O-CB 3.28Å; G12-T16 VanDerWaalsContact O-CG2 3.28Å; G12-T16 WeakPolarHBondContact O-CG2 3.4Å; G12-T16 PolarHBondContact O-N 2.77Å; G12-T16 PolarHBondContact O-OG1 3.09Å; C13-T16 WeakPolarHBondContact CA-OG1 3.25Å; C13-T16 PolarHBondContact O-OG1 3.1Å; C13-T16 VanDerWaalsContact O-OG1 3.12Å; T16-T19 VanDerWaalsContact CA-OG1 3.31Å; T16-T19 WeakPolarHBondContact CA-OG1 3.31Å; T16-T19 PolarHBondContact O-OG1 2.75Å; T16-W20 WeakPolarHBondContact O-CB 3.25Å; T16-W20 PolarHBondContact O-N 2.86Å
17	S	75.6	Confident	72.1	Confident	72 Å²	72	103.3 Å²	103.3	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-65.7	-41.9	175.4	-176.9	0	0	0	0	112.8	C13 W20 S21	C13-S17 VanDerWaalsContact O-CB 3.23Å; C13-S17 WeakPolarHBondContact O-CB 3.45Å; C13-S17 PolarHBondContact O-N 2.87Å; S17-W20 PolarHBondContact O-N 2.89Å; S17-S21 WeakPolarHBondContact O-CB 3.45Å; S17-S21 PolarHBondContact O-N 3.32Å; S17-S21 PolarHBondContact O-OG 2.78Å
18	A	79.1	Confident	72.1	Confident	54 Å²	54	101.8 Å²	101.8	45%	0.446	52%	0.52	S	S	.	.	H	α-helix	trans	-66.8	-43.8	176.7	0	0	0	0	0	111.8	L14 V15 S21 V22	L14-A18 VanDerWaalsContact O-CB 3.27Å; L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 2.88Å; V15-A18 PolarHBondContact O-N 2.74Å; A18-S21 PolarHBondContact O-N 2.84Å; A18-V22 VanDerWaalsContact O-CG2 3.31Å; A18-V22 WeakPolarHBondContact O-CG2 3.43Å; A18-V22 PolarHBondContact O-N 3.4Å
19	T	81.4	Confident	71.6	Confident	66 Å²	66	100 Å²	100	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-40.3	176	50.1	0	0	0	0	112.3	V15 T16 V22 L23	V15-T19 HydrophobicContact CG1-CG2 4.34Å; V15-T19 WeakPolarHBondContact O-CB 3.45Å; V15-T19 VanDerWaalsContact O-CG2 3.29Å; V15-T19 WeakPolarHBondContact O-CG2 3.35Å; V15-T19 PolarHBondContact O-N 2.89Å; V15-T19 PolarHBondContact O-OG1 2.87Å; T16-T19 VanDerWaalsContact CA-OG1 3.31Å; T16-T19 WeakPolarHBondContact CA-OG1 3.31Å; T16-T19 PolarHBondContact O-OG1 2.75Å; T19-V22 PolarHBondContact O-N 2.8Å; T19-L23 WeakPolarHBondContact O-CB 3.37Å; T19-L23 VanDerWaalsContact O-CG 3.28Å; T19-L23 WeakPolarHBondContact O-CG 3.41Å; T19-L23 PolarHBondContact O-N 2.71Å
20	W	74.8	Confident	70.9	Confident	170 Å²	170	99.8 Å²	99.8	64%	0.644	52%	0.521	S	S	*	.	H	α-helix	trans	-64.9	-39.1	173.6	-93.6	97.3	0	0	0	112.7	T16 S17 L23 L24	T16-W20 WeakPolarHBondContact O-CB 3.25Å; T16-W20 PolarHBondContact O-N 2.86Å; S17-W20 PolarHBondContact O-N 2.89Å; W20-L23 PolarHBondContact O-N 3.45Å; W20-L24 HydrophobicContact CE3-CD1 4.29Å; W20-L24 WeakPolarHBondContact O-CB 3.36Å; W20-L24 PolarHBondContact O-N 3.2Å
21	S	79.2	Confident	69.8	Low	69 Å²	69	99.5 Å²	99.5	48%	0.483	53%	0.529	S	S	.	.	H	α-helix	trans	-66.7	-39.2	176.8	-58.6	0	0	0	0	112	S17 A18 Y25	S17-S21 WeakPolarHBondContact O-CB 3.45Å; S17-S21 PolarHBondContact O-N 3.32Å; S17-S21 PolarHBondContact O-OG 2.78Å; A18-S21 PolarHBondContact O-N 2.84Å; S21-Y25 VanDerWaalsContact O-CB 3.31Å; S21-Y25 WeakPolarHBondContact O-CB 2.93Å; S21-Y25 PolarHBondContact O-N 3.33Å
22	V	80.2	Confident	68.3	Low	84 Å²	84	95.2 Å²	95.2	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-69.9	-40.1	175	171.9	0	0	0	0	111.2	A18 T19 Y25 L26	A18-V22 VanDerWaalsContact O-CG2 3.31Å; A18-V22 WeakPolarHBondContact O-CG2 3.43Å; A18-V22 PolarHBondContact O-N 3.4Å; T19-V22 PolarHBondContact O-N 2.8Å; V22-Y25 PolarHBondContact O-N 3.13Å; V22-L26 HydrophobicContact CG1-CD1 3.85Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 WeakPolarHBondContact O-CB 3.21Å; V22-L26 VanDerWaalsContact O-CG 3.22Å; V22-L26 WeakPolarHBondContact O-CG 3.13Å; V22-L26 PolarHBondContact O-N 3.26Å
23	L	75.6	Confident	66.9	Low	105 Å²	105	102 Å²	102	55%	0.55	55%	0.549	S	S	.	.	H	α-helix	trans	-66.4	-39	175.6	-76.7	166.1	0	0	0	112	T19 W20 L26 Y27	T19-L23 WeakPolarHBondContact O-CB 3.37Å; T19-L23 VanDerWaalsContact O-CG 3.28Å; T19-L23 WeakPolarHBondContact O-CG 3.41Å; T19-L23 PolarHBondContact O-N 2.71Å; W20-L23 PolarHBondContact O-N 3.45Å; L23-L26 PolarHBondContact O-N 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.5Å; L23-Y27 PolarHBondContact O-N 3.45Å
24	L	70.8	Confident	65.1	Low	81 Å²	81	104.8 Å²	104.8	42%	0.424	57%	0.566	S	S	.	*	H	α-helix	trans	-64.4	-43.5	171.5	-96.7	146.5	0	0	0	111.6	W20 Y27 F28	W20-L24 HydrophobicContact CE3-CD1 4.29Å; W20-L24 WeakPolarHBondContact O-CB 3.36Å; W20-L24 PolarHBondContact O-N 3.2Å; L24-Y27 PolarHBondContact O-N 2.87Å; L24-F28 HydrophobicContact CD2-CD2 4.02Å; L24-F28 HydrophobicContact CD2-CE2 3.52Å; L24-F28 VanDerWaalsContact O-CD2 3.24Å; L24-F28 WeakPolarHBondContact O-CD2 3.44Å; L24-F28 PolarHBondContact O-N 2.75Å
25	Y	73.3	Confident	63.1	Low	132 Å²	132	103.7 Å²	103.7	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-60.6	-47.6	174.9	-178.5	-97.4	0	0	0	111.3	S21 V22 Y27 F28 F29	S21-Y25 VanDerWaalsContact O-CB 3.31Å; S21-Y25 WeakPolarHBondContact O-CB 2.93Å; S21-Y25 PolarHBondContact O-N 3.33Å; V22-Y25 PolarHBondContact O-N 3.13Å; Y25-Y27 PolarHBondContact O-N 2.97Å; Y25-F28 PolarHBondContact O-N 2.87Å; Y25-F29 AromaticContact CD2-CD2 3.72Å; Y25-F29 HydrophobicContact CD2-CD2 3.72Å; Y25-F29 AromaticContact CD2-CE2 3.98Å; Y25-F29 HydrophobicContact CD2-CE2 3.98Å; Y25-F29 HydrophobicContact CE1-CB 4.43Å; Y25-F29 HydrophobicContact CE1-CD2 4.22Å; Y25-F29 HydrophobicContact CE1-CG 4.24Å; Y25-F29 AromaticContact CE2-CD2 3.31Å; Y25-F29 HydrophobicContact CE2-CD2 3.31Å; Y25-F29 AromaticContact CE2-CE2 3.28Å; Y25-F29 HydrophobicContact CE2-CE2 3.28Å; Y25-F29 HydrophobicContact CE2-CG 4.08Å; Y25-F29 HydrophobicContact CE2-CZ 4.01Å; Y25-F29 HydrophobicContact CG-CD2 4.32Å; Y25-F29 AromaticContact CZ-CD2 3.59Å; Y25-F29 AromaticContact CZ-CE2 3.77Å; Y25-F29 AromaticContact CZ-CG 3.86Å; Y25-F29 VanDerWaalsContact O-CB 3.28Å; Y25-F29 WeakPolarHBondContact O-CB 3.13Å; Y25-F29 PolarHBondContact O-N 3.22Å
26	L	69.2	Low	60.8	Low	74 Å²	74	110.9 Å²	110.9	39%	0.387	59%	0.586	S	S	.	*	H	α-helix	trans	-64.4	-37.5	176.2	-69.1	168.7	0	0	0	111.9	V22 L23 L30	V22-L26 HydrophobicContact CG1-CD1 3.85Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 WeakPolarHBondContact O-CB 3.21Å; V22-L26 VanDerWaalsContact O-CG 3.22Å; V22-L26 WeakPolarHBondContact O-CG 3.13Å; V22-L26 PolarHBondContact O-N 3.26Å; L23-L26 PolarHBondContact O-N 3.31Å; L26-L30 HydrophobicContact CB-CD1 4.19Å; L26-L30 HydrophobicContact CD2-CD1 3.51Å; L26-L30 HydrophobicContact CD2-CG 4.25Å; L26-L30 HydrophobicContact CG-CD1 4.42Å; L26-L30 WeakPolarHBondContact O-CA 3.44Å; L26-L30 WeakPolarHBondContact O-CB 3.48Å; L26-L30 PolarHBondContact O-N 3.46Å
27	Y	69.2	Low	58.6	Low	170 Å²	170	113.7 Å²	113.7	67%	0.667	60%	0.598	S	S	*	*	H	α-helix	trans	-64	-43.8	175.2	-179.2	-97.6	0	0	0	111.9	L23 L24 Y25 G31	L23-Y27 WeakPolarHBondContact O-CB 3.5Å; L23-Y27 PolarHBondContact O-N 3.45Å; L24-Y27 PolarHBondContact O-N 2.87Å; Y25-Y27 PolarHBondContact O-N 2.97Å; Y27-G31 VanDerWaalsContact O-CA 3.28Å; Y27-G31 WeakPolarHBondContact O-CA 3.34Å; Y27-G31 PolarHBondContact O-N 3.28Å
28	F	56.3	Low	56.4	Low	141 Å²	141	115.6 Å²	115.6	62%	0.618	61%	0.609	S	S	*	*	H	α-helix	trans	-76.6	-33.2	178.2	-80.4	-68.1	0	0	0	113.7	L24 Y25	L24-F28 HydrophobicContact CD2-CD2 4.02Å; L24-F28 HydrophobicContact CD2-CE2 3.52Å; L24-F28 VanDerWaalsContact O-CD2 3.24Å; L24-F28 WeakPolarHBondContact O-CD2 3.44Å; L24-F28 PolarHBondContact O-N 2.75Å; Y25-F28 PolarHBondContact O-N 2.87Å
29	F	52	Low	53.9	Low	135 Å²	135	116.6 Å²	116.6	59%	0.592	62%	0.617	S	S	*	*	H	α-helix	trans	-89.7	-30.9	-178.4	-96.7	-96.8	0	0	0	114.3	Y25	Y25-F29 AromaticContact CD2-CD2 3.72Å; Y25-F29 HydrophobicContact CD2-CD2 3.72Å; Y25-F29 AromaticContact CD2-CE2 3.98Å; Y25-F29 HydrophobicContact CD2-CE2 3.98Å; Y25-F29 HydrophobicContact CE1-CB 4.43Å; Y25-F29 HydrophobicContact CE1-CD2 4.22Å; Y25-F29 HydrophobicContact CE1-CG 4.24Å; Y25-F29 AromaticContact CE2-CD2 3.31Å; Y25-F29 HydrophobicContact CE2-CD2 3.31Å; Y25-F29 AromaticContact CE2-CE2 3.28Å; Y25-F29 HydrophobicContact CE2-CE2 3.28Å; Y25-F29 HydrophobicContact CE2-CG 4.08Å; Y25-F29 HydrophobicContact CE2-CZ 4.01Å; Y25-F29 HydrophobicContact CG-CD2 4.32Å; Y25-F29 AromaticContact CZ-CD2 3.59Å; Y25-F29 AromaticContact CZ-CE2 3.77Å; Y25-F29 AromaticContact CZ-CG 3.86Å; Y25-F29 VanDerWaalsContact O-CB 3.28Å; Y25-F29 WeakPolarHBondContact O-CB 3.13Å; Y25-F29 PolarHBondContact O-N 3.22Å
30	L	53.1	Low	51.3	Low	135 Å²	135	119.2 Å²	119.2	71%	0.707	64%	0.635	S	S	*	*	H	α-helix	trans	-101.2	-16.1	178.7	-57.6	173.3	0	0	0	113	L26 A32	L26-L30 HydrophobicContact CB-CD1 4.19Å; L26-L30 HydrophobicContact CD2-CD1 3.51Å; L26-L30 HydrophobicContact CD2-CG 4.25Å; L26-L30 HydrophobicContact CG-CD1 4.42Å; L26-L30 WeakPolarHBondContact O-CA 3.44Å; L26-L30 WeakPolarHBondContact O-CB 3.48Å; L26-L30 PolarHBondContact O-N 3.46Å; L30-A32 VanDerWaalsContact C-N 3.32Å
31	G	40.9	Very low	49.1	Very low	59 Å²	59	119.7 Å²	119.7	61%	0.608	64%	0.644	S	S	*	*	S	Bend	trans	-83.2	-6.2	172.4	0	0	0	0	0	114.2	Y27 E33	Y27-G31 VanDerWaalsContact O-CA 3.28Å; Y27-G31 WeakPolarHBondContact O-CA 3.34Å; Y27-G31 PolarHBondContact O-N 3.28Å; G31-E33 PolarHBondContact O-N 2.95Å; G31-E33 VanDerWaalsContact O-N 3.15Å
32	A	38.6	Very low	46.8	Very low	69 Å²	69	127.8 Å²	127.8	57%	0.57	66%	0.664	S	S	*	*			trans	-81.3	86.4	170.2	0	0	0	0	0	109.2	L30	L30-A32 VanDerWaalsContact C-N 3.32Å
33	E	38.8	Very low	44.3	Very low	177 Å²	177	127.1 Å²	127.1	83%	0.827	68%	0.675	S	S	*	*			trans	-54.3	133.7	154.3	-79.1	-168.3	159.9	0	0	107.5	G31 S35	G31-E33 PolarHBondContact O-N 2.95Å; G31-E33 VanDerWaalsContact O-N 3.15Å; E33-S35 PolarHBondContact O-N 3.21Å
34	P	33	Very low	41.8	Very low	119 Å²	119	133 Å²	133	77%	0.773	69%	0.689	S	S	*	*			trans	-61.8	108.9	172.1	25.2	-29.4	0	0	0	106.1	R36	P34-R36 PolarHBondContact O-N 2.88Å
35	S	32	Very low	39.8	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	71%	0.706	S	S	*	*			trans	-50.9	114.8	165.5	54.7	0	0	0	0	105.7	E33 N37	E33-S35 PolarHBondContact O-N 3.21Å; S35-N37 PolarHBondContact O-N 2.97Å
36	R	29	Very low	37.9	Very low	240 Å²	240	136.7 Å²	136.7	91%	0.906	72%	0.723	S	S	*	*			trans	-58.9	97.3	166.7	-83.3	177.2	170.1	168.6	-2.3	105.2	P34 P38	P34-R36 PolarHBondContact O-N 2.88Å; R36-P38 WeakPolarHBondContact O-CD 3.4Å; R36-P38 VanDerWaalsContact O-N 3.12Å
37	N	29	Very low	35.9	Very low	138 Å²	138	136.2 Å²	136.2	74%	0.738	74%	0.736	S	S	*	*			trans	-47.6	121.7	161	-80.6	-26.9	0	0	0	106.1	S35 A39	S35-N37 PolarHBondContact O-N 2.97Å; N37-A39 PolarHBondContact O-N 2.86Å
38	P	28.5	Very low	34.2	Very low	112 Å²	112	133.8 Å²	133.8	73%	0.727	75%	0.751	S	S	*	*			trans	-58	120.1	166.4	23.6	-28.2	0	0	0	105.6	R36	R36-P38 WeakPolarHBondContact O-CD 3.4Å; R36-P38 VanDerWaalsContact O-N 3.12Å
39	A	26.2	Very low	32.7	Very low	75 Å²	75	130 Å²	130	62%	0.62	75%	0.753	S	S	*	*			trans	-46	143.3	171.6	0	0	0	0	0	108.5	N37 H41	N37-A39 PolarHBondContact O-N 2.86Å; A39-H41 PolarHBondContact O-N 3.08Å
40	P	27.9	Very low	31.6	Very low	120 Å²	120	129.3 Å²	129.3	78%	0.779	76%	0.764	S	S	*	*			trans	-54.6	115.4	176.9	23.1	-31.3	0	0	0	107.1	R42	P40-R42 VanDerWaalsContact C-N 3.27Å; P40-R42 PolarHBondContact O-N 3.48Å
41	H	28.5	Very low	30.4	Very low	181 Å²	181	130.2 Å²	130.2	84%	0.838	77%	0.77	S	S	*	*			trans	-58	100.8	171.4	-89.2	-71.3	0	0	0	106	A39 G43	A39-H41 PolarHBondContact O-N 3.08Å; H41-G43 PolarHBondContact O-N 2.89Å
42	R	30.4	Very low	30	Very low	238 Å²	238	137.1 Å²	137.1	90%	0.898	79%	0.786	S	S	*	*			trans	-54.3	98.3	156.7	-86.9	-179.3	170.5	178.7	-2.9	105.1	P40 R44	P40-R42 VanDerWaalsContact C-N 3.27Å; P40-R42 PolarHBondContact O-N 3.48Å; R42-R44 VanDerWaalsContact C-N 3.29Å; R42-R44 PolarHBondContact O-N 3.05Å
43	G	27.9	Very low	29.7	Very low	71 Å²	71	142.9 Å²	142.9	73%	0.732	80%	0.798	S	S	*	*			trans	-57.4	100.5	166.2	0	0	0	0	0	106.7	H41	H41-G43 PolarHBondContact O-N 2.89Å
44	R	23.9	Very low	29.7	Very low	227 Å²	227	136.8 Å²	136.8	86%	0.857	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-60.6	131.2	162.8	-94.3	179.2	163.2	176.6	-4.9	106.2	R42 I46	R42-R44 VanDerWaalsContact C-N 3.29Å; R42-R44 PolarHBondContact O-N 3.05Å; R44-I46 PolarHBondContact O-N 2.9Å; R44-I46 VanDerWaalsContact O-N 3.15Å
45	P	27.3	Very low	30.3	Very low	120 Å²	120	134.1 Å²	134.1	78%	0.779	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.5	123.4	173.7	24.3	-30.1	0	0	0	107.8	G47	P45-G47 PolarHBondContact O-N 2.8Å
46	I	35	Very low	31.6	Very low	172 Å²	172	138.3 Å²	138.3	88%	0.882	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-61.6	125.4	165.2	-63.8	176.7	0	0	0	105.7	R44	R44-I46 PolarHBondContact O-N 2.9Å; R44-I46 VanDerWaalsContact O-N 3.15Å
47	G	27.1	Very low	33.6	Very low	64 Å²	64	129.6 Å²	129.6	66%	0.66	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-51.8	142.6	-162.3	0	0	0	0	0	114.9	P45 G49	P45-G47 PolarHBondContact O-N 2.8Å; G47-G49 PolarHBondContact O-N 2.65Å
48	A	32.9	Very low	35.9	Very low	118 Å²	118	126 Å²	126	98%	0.975	74%	0.736	S	S	*	*			trans	-58.1	114.8	159.9	0	0	0	0	0	109
49	G	24.6	Very low	37.8	Very low	63 Å²	63	124.1 Å²	124.1	65%	0.649	72%	0.724	S	S	*	*			trans	174	101.2	176.8	0	0	0	0	0	113.5	G47	G47-G49 PolarHBondContact O-N 2.65Å
50	S	28.2	Very low	40.3	Very low	120 Å²	120	123.3 Å²	123.3	84%	0.839	71%	0.708	S	S	*	*	S	Bend	trans	73.4	125.2	159.7	63.9	0	0	0	0	120.4
51	D	27.7	Very low	43.1	Very low	153 Å²	153	119.8 Å²	119.8	82%	0.818	68%	0.681	S	S	*	*			trans	62.6	95	162.4	-68.3	-10.9	0	0	0	119.7	K53	D51-K53 PolarHBondContact O-N 3.16Å
52	H	32.5	Very low	45.9	Very low	204 Å²	204	111.2 Å²	111.2	94%	0.944	64%	0.642	S	S	*	*			trans	-62.7	76.1	163.8	-72.6	-74.1	0	0	0	112.3
53	K	32.7	Very low	48.7	Very low	190 Å²	190	100 Å²	100	83%	0.826	60%	0.6	S	S	*	*			trans	-87.8	122.6	143.5	-73.7	-178.1	179	177.3	0	105.9	D51 A55	D51-K53 PolarHBondContact O-N 3.16Å; K53-A55 PolarHBondContact O-N 3.19Å
54	G	39.5	Very low	51.8	Low	50 Å²	50	96.6 Å²	96.6	52%	0.515	57%	0.565	S	S	.	*			trans	-45.3	126	-177	0	0	0	0	0	110.1	E56	G54-E56 PolarHBondContact O-N 2.83Å
55	A	45	Very low	55	Low	63 Å²	63	89.9 Å²	89.9	52%	0.521	54%	0.542	S	S	.	.			trans	-63.6	99	-173.1	0	0	0	0	0	108.9	K53 L57 P95	K53-A55 PolarHBondContact O-N 3.19Å; A55-L57 PolarHBondContact O-N 3.06Å; A55-P95 HydrophobicContact CB-CG 3.6Å
56	E	60.3	Low	58.1	Low	185 Å²	185	87.8 Å²	87.8	86%	0.864	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-60.3	124.8	169.2	-78.2	-178.9	164.9	0	0	107.4	G54 S58	G54-E56 PolarHBondContact O-N 2.83Å; E56-S58 PolarHBondContact O-N 3.32Å
57	L	71.4	Confident	60.8	Low	57 Å²	57	87 Å²	87	30%	0.298	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-56.6	131.3	174.8	-63.5	178.7	0	0	0	108.1	A55 L90	A55-L57 PolarHBondContact O-N 3.06Å; L57-L90 HydrophobicContact CD1-CD2 4.36Å; L57-L90 HydrophobicContact CD2-CD2 3.37Å; L57-L90 HydrophobicContact CG-CD2 4.47Å
58	S	76.5	Confident	64	Low	63 Å²	63	86.7 Å²	86.7	44%	0.441	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-52	130.5	176.8	167.6	0	0	0	0	109.1	E56 E60 M61	E56-S58 PolarHBondContact O-N 3.32Å; S58-E60 PolarHBondContact O-N 2.74Å; S58-E60 PolarHBondContact OG-N 3.4Å; S58-M61 WeakPolarHBondContact O-CB 3.49Å; S58-M61 VanDerWaalsContact O-CG 3.22Å; S58-M61 WeakPolarHBondContact O-CG 3.39Å; S58-M61 PolarHBondContact O-N 2.98Å
59	P	68.3	Low	66.9	Low	72 Å²	72	82.2 Å²	82.2	47%	0.468	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-54.5	-24.3	177.5	-26.9	34	0	0	0	112.9	Y533	P59-Y533 WeakPolarHBondContact O-CE1 3.3Å
60	E	79.3	Confident	70.1	Confident	59 Å²	59	81.3 Å²	81.3	28%	0.276	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-85.7	-1.6	-178.9	-54.1	-172.1	147.9	0	0	113.6	S58 G62 M63 R531	S58-E60 PolarHBondContact O-N 2.74Å; S58-E60 PolarHBondContact OG-N 3.4Å; E60-G62 PolarHBondContact O-N 2.88Å; E60-M63 HydrophobicContact CB-CB 4.34Å; E60-M63 HydrophobicContact CB-CE 4.14Å; E60-M63 HydrophobicContact CG-CE 3.76Å; E60-M63 WeakPolarHBondContact O-CB 3.08Å; E60-M63 PolarHBondContact O-N 3.11Å; E60-R531 IonicContact OE1-NH2 2.73Å; E60-R531 PolarHBondContact OE1-NH2 3.22Å; E60-R531 VanDerWaalsContact OE1-NH2 3.13Å
61	M	85.3	Confident	73.3	Confident	45 Å²	45	82.4 Å²	82.4	22%	0.222	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-57.9	-34.1	-178.5	-77.9	-68	-68.4	0	0	113.5	S58 I86 R89 L90	S58-M61 WeakPolarHBondContact O-CB 3.49Å; S58-M61 VanDerWaalsContact O-CG 3.22Å; S58-M61 WeakPolarHBondContact O-CG 3.39Å; S58-M61 PolarHBondContact O-N 2.98Å; M61-I86 HydrophobicContact CB-CG2 4.47Å; M61-R89 HydrophobicContact CE-CB 3.61Å; M61-R89 WeakPolarHBondContact O-CD 3.02Å; M61-R89 PolarHBondContact O-NH1 2.76Å; M61-R89 HydrophobicContact SD-CB 4.5Å; M61-L90 HydrophobicContact CE-CB 4.47Å; M61-L90 HydrophobicContact CE-CD2 3.65Å; M61-L90 HydrophobicContact CE-CG 3.77Å
62	G	87.4	Confident	76.4	Confident	2 Å²	2	77.8 Å²	77.8	2%	0.021	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-91.6	0.3	177.1	0	0	0	0	0	114.6	E60 I64 Y533 G538	E60-G62 PolarHBondContact O-N 2.88Å; G62-I64 PolarHBondContact O-N 3.33Å; G62-Y533 VanDerWaalsContact CA-OH 3.27Å; G62-Y533 WeakPolarHBondContact CA-OH 3.4Å; G62-Y533 PolarHBondContact O-OH 3.27Å; G62-G538 WeakPolarHBondContact O-CA 3.37Å
63	M	90.4	Very high	79.3	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	37%	0.372	C	S	.	.			trans	-69.4	129.3	-174.3	-166.8	175.1	-70	0	0	111.1	E60 F65 R89 Y533 C558	E60-M63 HydrophobicContact CB-CB 4.34Å; E60-M63 HydrophobicContact CB-CE 4.14Å; E60-M63 HydrophobicContact CG-CE 3.76Å; E60-M63 WeakPolarHBondContact O-CB 3.08Å; E60-M63 PolarHBondContact O-N 3.11Å; M63-F65 HydrophobicContact CB-CE1 4.24Å; M63-F65 HydrophobicContact CB-CE2 4Å; M63-F65 HydrophobicContact CB-CZ 3.75Å; M63-F65 HydrophobicContact CG-CD1 4.3Å; M63-F65 HydrophobicContact CG-CE1 3.8Å; M63-F65 HydrophobicContact CG-CE2 4.38Å; M63-F65 HydrophobicContact CG-CZ 3.85Å; M63-F65 WeakPolarHBondContact O-CD2 3.37Å; M63-F65 HydrophobicContact SD-CD1 4.22Å; M63-F65 HydrophobicContact SD-CE1 3.37Å; M63-F65 WeakPolarHBondContact SD-CE1 3.31Å; M63-F65 HydrophobicContact SD-CZ 3.69Å; M63-R89 PolarHBondContact O-NH1 2.83Å; M63-R89 PolarHBondContact O-NH2 3.49Å; M63-R89 VanDerWaalsContact O-NH2 3.09Å; M63-Y533 HydrophobicContact CB-CD2 4.32Å; M63-Y533 HydrophobicContact CB-CE2 3.86Å; M63-Y533 HydrophobicContact CE-CD1 4.3Å; M63-Y533 HydrophobicContact CE-CD2 3.7Å; M63-Y533 HydrophobicContact CE-CE2 4.32Å; M63-Y533 HydrophobicContact CE-CG 3.68Å; M63-Y533 HydrophobicContact CG-CD2 4.05Å; M63-Y533 HydrophobicContact CG-CE2 4.02Å; M63-Y533 PolarHBondContact N-OH 2.85Å; M63-C558 HydrophobicContact CG-CB 3.46Å; M63-C558 VanDerWaalsContact CG-CB 3.46Å; M63-C558 WeakPolarHBondContact CG-SG 3.34Å; M63-C558 HydrophobicContact SD-CB 3.61Å
64	I	92.1	Very high	82.1	Confident	1 Å²	1	62 Å²	62	1%	0.005	35%	0.347	C	S	.	.			trans	-88.5	112.4	177.1	-63	172.8	0	0	0	107.3	G62 N66 D69 Q70 L85 V537 G538 Q539 I557 C558	G62-I64 PolarHBondContact O-N 3.33Å; I64-N66 VanDerWaalsContact CG2-O 3.29Å; I64-N66 WeakPolarHBondContact CG2-O 3.47Å; I64-D69 HydrophobicContact CB-CB 4.34Å; I64-D69 HydrophobicContact CG2-CB 3.92Å; I64-Q70 HydrophobicContact CD1-CB 4.33Å; I64-Q70 HydrophobicContact CD1-CG 4.31Å; I64-Q70 HydrophobicContact CG2-CB 3.74Å; I64-L85 HydrophobicContact CG1-CD2 4.23Å; I64-V537 WeakPolarHBondContact CD1-O 3.49Å; I64-G538 VanDerWaalsContact CB-O 3.32Å; I64-G538 WeakPolarHBondContact CB-O 3.48Å; I64-G538 WeakPolarHBondContact CG1-O 3.47Å; I64-G538 PolarHBondContact N-O 2.99Å; I64-Q539 HydrophobicContact CD1-CG 3.88Å; I64-I557 HydrophobicContact CG2-CG1 3.97Å; I64-I557 HydrophobicContact CG2-CG2 4.31Å; I64-C558 WeakPolarHBondContact O-CB 3.43Å; I64-C558 PolarHBondContact O-N 3.47Å
65	F	91.2	Very high	84.6	Confident	86 Å²	86	60.9 Å²	60.9	38%	0.377	33%	0.333	S	S	.	.			trans	-97.6	-18	-179.2	-62.8	-72.6	0	0	0	113	M63 D69 I557	M63-F65 HydrophobicContact CB-CE1 4.24Å; M63-F65 HydrophobicContact CB-CE2 4Å; M63-F65 HydrophobicContact CB-CZ 3.75Å; M63-F65 HydrophobicContact CG-CD1 4.3Å; M63-F65 HydrophobicContact CG-CE1 3.8Å; M63-F65 HydrophobicContact CG-CE2 4.38Å; M63-F65 HydrophobicContact CG-CZ 3.85Å; M63-F65 WeakPolarHBondContact O-CD2 3.37Å; M63-F65 HydrophobicContact SD-CD1 4.22Å; M63-F65 HydrophobicContact SD-CE1 3.37Å; M63-F65 WeakPolarHBondContact SD-CE1 3.31Å; M63-F65 HydrophobicContact SD-CZ 3.69Å; F65-D69 PolarHBondContact N-OD2 3.31Å; F65-I557 WeakPolarHBondContact O-CG2 3.45Å
66	N	92.1	Very high	86.9	Confident	75 Å²	75	58.1 Å²	58.1	40%	0.401	31%	0.31	S	S	.	.	S	Bend	trans	-155.6	176.6	-178.1	56.5	58	0	0	0	111.1	I64 A68 D69 Q70	I64-N66 VanDerWaalsContact CG2-O 3.29Å; I64-N66 WeakPolarHBondContact CG2-O 3.47Å; N66-A68 VanDerWaalsContact C-N 3.31Å; N66-A68 PolarHBondContact O-N 3.46Å; N66-A68 WeakPolarHBondContact OD1-CA 3.45Å; N66-A68 WeakPolarHBondContact OD1-CB 3.44Å; N66-A68 PolarHBondContact OD1-N 2.88Å; N66-A68 VanDerWaalsContact OD1-N 3.08Å; N66-D69 PolarHBondContact O-N 2.81Å; N66-D69 PolarHBondContact OD1-N 3.19Å; N66-Q70 PolarHBondContact O-N 3.08Å
67	E	92.5	Very high	88.3	Confident	155 Å²	155	51.2 Å²	51.2	72%	0.724	28%	0.276	S	S	*	.	H	α-helix	trans	-64.6	-33.3	-179.7	-65.7	179.8	171.7	0	0	112.8	Q70 E71 I557	E67-Q70 WeakPolarHBondContact O-CB 3.31Å; E67-Q70 PolarHBondContact O-N 2.72Å; E67-E71 PolarHBondContact O-N 2.78Å; E67-I557 HydrophobicContact CG-CD1 3.89Å
68	A	94.3	Very high	89.2	Confident	58 Å²	58	55.3 Å²	55.3	48%	0.479	29%	0.294	S	S	.	.	H	α-helix	trans	-66.4	-40.1	178	0	0	0	0	0	112	N66 Q70 E71 V72	N66-A68 VanDerWaalsContact C-N 3.31Å; N66-A68 PolarHBondContact O-N 3.46Å; N66-A68 WeakPolarHBondContact OD1-CA 3.45Å; N66-A68 WeakPolarHBondContact OD1-CB 3.44Å; N66-A68 PolarHBondContact OD1-N 2.88Å; N66-A68 VanDerWaalsContact OD1-N 3.08Å; A68-Q70 VanDerWaalsContact C-N 3.28Å; A68-Q70 PolarHBondContact O-N 2.7Å; A68-E71 PolarHBondContact O-N 3.49Å; A68-V72 VanDerWaalsContact O-CG2 3.32Å; A68-V72 WeakPolarHBondContact O-CG2 3.45Å; A68-V72 PolarHBondContact O-N 2.81Å
69	D	94.4	Very high	90	Very high	24 Å²	24	58.5 Å²	58.5	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-42.8	171.6	-77.2	-27.8	0	0	0	111.2	I64 F65 N66 V72 R73 L85 R89	I64-D69 HydrophobicContact CB-CB 4.34Å; I64-D69 HydrophobicContact CG2-CB 3.92Å; F65-D69 PolarHBondContact N-OD2 3.31Å; N66-D69 PolarHBondContact O-N 2.81Å; N66-D69 PolarHBondContact OD1-N 3.19Å; D69-V72 PolarHBondContact O-N 3.28Å; D69-R73 WeakPolarHBondContact O-CB 3.08Å; D69-R73 PolarHBondContact O-N 3.46Å; D69-L85 HydrophobicContact CB-CD1 4.21Å; D69-L85 HydrophobicContact CB-CD2 3.98Å; D69-R89 IonicContact OD1-CZ 3.91Å; D69-R89 IonicContact OD1-NH2 3.46Å; D69-R89 PolarHBondContact OD1-NH2 2.83Å; D69-R89 IonicContact OD2-NH2 3.57Å; D69-R89 PolarHBondContact OD2-NH2 3.3Å
70	Q	91.7	Very high	91.2	Very high	45 Å²	45	55.7 Å²	55.7	21%	0.21	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-45	179.5	-172.1	164.6	-4.2	0	0	111	I64 N66 E67 A68 R73 D74	I64-Q70 HydrophobicContact CD1-CB 4.33Å; I64-Q70 HydrophobicContact CD1-CG 4.31Å; I64-Q70 HydrophobicContact CG2-CB 3.74Å; N66-Q70 PolarHBondContact O-N 3.08Å; E67-Q70 WeakPolarHBondContact O-CB 3.31Å; E67-Q70 PolarHBondContact O-N 2.72Å; A68-Q70 VanDerWaalsContact C-N 3.28Å; A68-Q70 PolarHBondContact O-N 2.7Å; Q70-R73 PolarHBondContact O-N 2.84Å; Q70-D74 WeakPolarHBondContact CG-OD2 3.34Å; Q70-D74 VanDerWaalsContact O-CB 3.32Å; Q70-D74 WeakPolarHBondContact O-CB 3.33Å; Q70-D74 VanDerWaalsContact O-CG 3.23Å; Q70-D74 PolarHBondContact O-N 3.49Å
71	E	93.9	Very high	91.9	Very high	142 Å²	142	53.1 Å²	53.1	66%	0.664	27%	0.266	S	S	*	.	H	α-helix	trans	-60.6	-46.5	176.8	-173.8	176.4	-171.4	0	0	111.6	E67 A68 R73 D74 A75	E67-E71 PolarHBondContact O-N 2.78Å; A68-E71 PolarHBondContact O-N 3.49Å; E71-R73 VanDerWaalsContact C-N 3.34Å; E71-R73 PolarHBondContact O-N 3.06Å; E71-D74 PolarHBondContact O-N 2.96Å; E71-A75 WeakPolarHBondContact O-CB 3.4Å; E71-A75 PolarHBondContact O-N 3.3Å
72	V	94.8	Very high	92.3	Very high	57 Å²	57	51 Å²	51	35%	0.345	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-44	177.1	170.8	0	0	0	0	111.3	A68 D69 G76 L85	A68-V72 VanDerWaalsContact O-CG2 3.32Å; A68-V72 WeakPolarHBondContact O-CG2 3.45Å; A68-V72 PolarHBondContact O-N 2.81Å; D69-V72 PolarHBondContact O-N 3.28Å; V72-G76 PolarHBondContact O-N 2.97Å; V72-L85 HydrophobicContact CB-CD1 4.29Å; V72-L85 HydrophobicContact CG1-CB 4.1Å; V72-L85 HydrophobicContact CG1-CD1 4.06Å
73	R	92.1	Very high	92.6	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-53.8	176.9	179.3	-166.7	170.5	-82	-2.4	110.8	D69 Q70 E71 G76 Y77 L85 S536 V537	D69-R73 WeakPolarHBondContact O-CB 3.08Å; D69-R73 PolarHBondContact O-N 3.46Å; Q70-R73 PolarHBondContact O-N 2.84Å; E71-R73 VanDerWaalsContact C-N 3.34Å; E71-R73 PolarHBondContact O-N 3.06Å; R73-G76 WeakPolarHBondContact O-CA 3.5Å; R73-G76 PolarHBondContact O-N 3.44Å; R73-G76 VanDerWaalsContact O-N 3.13Å; R73-Y77 HydrophobicContact CG-CD2 3.92Å; R73-Y77 HydrophobicContact CG-CE2 3.89Å; R73-Y77 WeakPolarHBondContact O-CD2 3.49Å; R73-Y77 PolarHBondContact O-N 3.05Å; R73-L85 HydrophobicContact CB-CB 4.09Å; R73-L85 HydrophobicContact CB-CD2 4.32Å; R73-S536 PolarHBondContact NH2-O 3.2Å; R73-V537 PolarHBondContact NE-O 3.44Å
74	D	91	Very high	92.9	Very high	55 Å²	55	51.5 Å²	51.5	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-66.6	-44.3	-171.9	-69.7	-9.1	0	0	0	110.9	Q70 E71 G76 Y77 Q78	Q70-D74 WeakPolarHBondContact CG-OD2 3.34Å; Q70-D74 VanDerWaalsContact O-CB 3.32Å; Q70-D74 WeakPolarHBondContact O-CB 3.33Å; Q70-D74 VanDerWaalsContact O-CG 3.23Å; Q70-D74 PolarHBondContact O-N 3.49Å; E71-D74 PolarHBondContact O-N 2.96Å; D74-G76 VanDerWaalsContact C-N 3.29Å; D74-G76 PolarHBondContact O-N 3.39Å; D74-Y77 PolarHBondContact O-N 3.03Å; D74-Q78 WeakPolarHBondContact O-CB 3.31Å; D74-Q78 PolarHBondContact O-N 2.79Å
75	A	92.4	Very high	93	Very high	27 Å²	27	51.8 Å²	51.8	22%	0.223	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-38.6	171.6	0	0	0	0	0	111.6	E71 Q78 R79	E71-A75 WeakPolarHBondContact O-CB 3.4Å; E71-A75 PolarHBondContact O-N 3.3Å; A75-Q78 PolarHBondContact O-N 3.39Å; A75-R79 WeakPolarHBondContact O-CB 2.93Å; A75-R79 WeakPolarHBondContact O-CG 3.49Å; A75-R79 PolarHBondContact O-N 3.06Å
76	G	93.1	Very high	93.2	Very high	4 Å²	4	47.9 Å²	47.9	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-58.1	-49.8	174.5	0	0	0	0	0	113.1	V72 R73 D74 Q78 R79 H80 A81 F82	V72-G76 PolarHBondContact O-N 2.97Å; R73-G76 WeakPolarHBondContact O-CA 3.5Å; R73-G76 PolarHBondContact O-N 3.44Å; R73-G76 VanDerWaalsContact O-N 3.13Å; D74-G76 VanDerWaalsContact C-N 3.29Å; D74-G76 PolarHBondContact O-N 3.39Å; G76-Q78 VanDerWaalsContact C-N 3.34Å; G76-Q78 PolarHBondContact O-N 2.78Å; G76-R79 PolarHBondContact O-N 2.87Å; G76-H80 WeakPolarHBondContact O-CA 3.39Å; G76-H80 WeakPolarHBondContact O-CB 3.21Å; G76-H80 PolarHBondContact O-N 2.82Å; G76-A81 PolarHBondContact O-N 3.48Å; G76-F82 CarbonylContact C-O 3.5Å
77	Y	90.9	Very high	93.4	Very high	40 Å²	40	44.3 Å²	44.3	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-66.6	-35.5	175.7	-84.7	-78.2	0	0	0	112.6	R73 D74 A81 F82 N83 D243 R346	R73-Y77 HydrophobicContact CG-CD2 3.92Å; R73-Y77 HydrophobicContact CG-CE2 3.89Å; R73-Y77 WeakPolarHBondContact O-CD2 3.49Å; R73-Y77 PolarHBondContact O-N 3.05Å; D74-Y77 PolarHBondContact O-N 3.03Å; Y77-A81 VanDerWaalsContact O-CA 3.3Å; Y77-A81 WeakPolarHBondContact O-CA 3.39Å; Y77-A81 PolarHBondContact O-N 2.76Å; Y77-A81 VanDerWaalsContact O-N 3.16Å; Y77-F82 PolarHBondContact N-O 3.1Å; Y77-N83 HydrophobicContact CE2-CB 3.82Å; Y77-D243 WeakPolarHBondContact CE1-OD1 3.2Å; Y77-D243 VanDerWaalsContact OH-CA 3.28Å; Y77-D243 WeakPolarHBondContact OH-CA 3.4Å; Y77-D243 WeakPolarHBondContact OH-CB 3.4Å; Y77-D243 PolarHBondContact OH-OD1 3.04Å; Y77-R346 PolarHBondContact O-NH2 3Å
78	Q	90.4	Very high	93.6	Very high	144 Å²	144	40.9 Å²	40.9	67%	0.673	21%	0.21	S	C	*	.	H	α-helix	trans	-68.2	-41.8	177.2	-171.7	-175.5	5.5	0	0	112.3	D74 A75 G76 R346	D74-Q78 WeakPolarHBondContact O-CB 3.31Å; D74-Q78 PolarHBondContact O-N 2.79Å; A75-Q78 PolarHBondContact O-N 3.39Å; G76-Q78 VanDerWaalsContact C-N 3.34Å; G76-Q78 PolarHBondContact O-N 2.78Å; Q78-R346 VanDerWaalsContact C-NH2 3.27Å; Q78-R346 PolarHBondContact O-NH2 2.95Å
79	R	92.1	Very high	93.6	Very high	129 Å²	129	42 Å²	42	49%	0.487	20%	0.202	S	C	.	.	H	α-helix	trans	-87.5	-40.9	-176	-66.7	179.8	-173.7	-176.4	3.2	113	A75 G76 P348 Y349	A75-R79 WeakPolarHBondContact O-CB 2.93Å; A75-R79 WeakPolarHBondContact O-CG 3.49Å; A75-R79 PolarHBondContact O-N 3.06Å; G76-R79 PolarHBondContact O-N 2.87Å; R79-P348 WeakPolarHBondContact O-CB 3.36Å; R79-Y349 PolarHBondContact O-OH 3.05Å
80	H	94.3	Very high	93.5	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.065	20%	0.201	C	C	.	.	H	α-helix	trans	-120.4	-7.9	-167.8	-50.3	-74.9	0	0	0	114.2	G76 F82 V84 N124 R344 Y349	G76-H80 WeakPolarHBondContact O-CA 3.39Å; G76-H80 WeakPolarHBondContact O-CB 3.21Å; G76-H80 PolarHBondContact O-N 2.82Å; H80-F82 VanDerWaalsContact C-N 3.3Å; H80-F82 HydrophobicContact CB-CD1 3.76Å; H80-F82 HydrophobicContact CB-CE1 3.52Å; H80-F82 HydrophobicContact CB-CZ 4.36Å; H80-F82 WeakPolarHBondContact O-CD1 3.49Å; H80-F82 PolarHBondContact O-N 3.35Å; H80-V84 HydrophobicContact CB-CG2 4.3Å; H80-N124 PolarHBondContact CE1-O 3.15Å; H80-N124 PolarHBondContact ND1-O 3.39Å; H80-N124 VanDerWaalsContact ND1-O 3.14Å; H80-R344 VanDerWaalsContact O-CD 3.29Å; H80-R344 WeakPolarHBondContact O-CD 3.49Å; H80-R344 PolarHBondContact O-NE 3.41Å; H80-Y349 PolarHBondContact ND1-OH 2.77Å
81	A	93.8	Very high	93.6	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.041	20%	0.204	C	C	.	.	S	Bend	trans	61.9	29.7	179.2	0	0	0	0	0	115.2	G76 Y77 R344 R346	G76-A81 PolarHBondContact O-N 3.48Å; Y77-A81 VanDerWaalsContact O-CA 3.3Å; Y77-A81 WeakPolarHBondContact O-CA 3.39Å; Y77-A81 PolarHBondContact O-N 2.76Å; Y77-A81 VanDerWaalsContact O-N 3.16Å; A81-R344 HydrophobicContact CB-CB 4.2Å; A81-R344 HydrophobicContact CB-CG 4.45Å; A81-R346 HydrophobicContact CB-CG 3.62Å; A81-R346 WeakPolarHBondContact CB-O 3.36Å
82	F	94.1	Very high	93.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-152.7	170.2	169.1	73.2	-91.3	0	0	0	110.6	G76 Y77 H80 V84 A126 A129 A242 L245 I342	G76-F82 CarbonylContact C-O 3.5Å; Y77-F82 PolarHBondContact N-O 3.1Å; H80-F82 VanDerWaalsContact C-N 3.3Å; H80-F82 HydrophobicContact CB-CD1 3.76Å; H80-F82 HydrophobicContact CB-CE1 3.52Å; H80-F82 HydrophobicContact CB-CZ 4.36Å; H80-F82 WeakPolarHBondContact O-CD1 3.49Å; H80-F82 PolarHBondContact O-N 3.35Å; F82-V84 HydrophobicContact CD2-CG2 4.38Å; F82-V84 HydrophobicContact CE2-CG2 3.9Å; F82-V84 HydrophobicContact CZ-CG2 3.98Å; F82-V84 PolarHBondContact O-N 2.04Å; F82-A126 HydrophobicContact CE1-CB 4.18Å; F82-A126 HydrophobicContact CZ-CB 3.65Å; F82-A129 HydrophobicContact CE2-CB 4.45Å; F82-A129 HydrophobicContact CZ-CB 3.78Å; F82-A242 CarbonylContact C-O 3.46Å; F82-A242 WeakPolarHBondContact CA-O 3.28Å; F82-A242 HydrophobicContact CB-CB 3.75Å; F82-A242 WeakPolarHBondContact CB-O 3.4Å; F82-L245 HydrophobicContact CD2-CD1 4.41Å; F82-I342 HydrophobicContact CB-CG2 4.03Å; F82-I342 HydrophobicContact CD1-CG2 4.49Å; F82-I342 HydrophobicContact CD2-CD1 4.45Å; F82-I342 HydrophobicContact CE2-CD1 4.36Å; F82-I342 HydrophobicContact CG-CG2 4.17Å
83	N	93.8	Very high	93.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.			trans	-76.2	89.2	-175.9	-166.8	-21.3	0	0	0	112.7	Y77 L85 I86 S87 A242 D243 L245	Y77-N83 HydrophobicContact CE2-CB 3.82Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 3.5Å; N83-L85 WeakPolarHBondContact OD1-CB 3.24Å; N83-L85 PolarHBondContact OD1-N 3.11Å; N83-I86 HydrophobicContact CB-CD1 4.36Å; N83-I86 WeakPolarHBondContact ND2-CD1 3.39Å; N83-I86 PolarHBondContact O-N 3.11Å; N83-I86 PolarHBondContact OD1-N 2.99Å; N83-S87 PolarHBondContact O-N 2.9Å; N83-A242 PolarHBondContact N-O 3.09Å; N83-D243 WeakPolarHBondContact CB-O 3.28Å; N83-D243 PolarHBondContact ND2-O 2.92Å; N83-L245 HydrophobicContact CB-CD2 3.98Å
84	V	95.3	Very high	93.7	Very high	14 Å²	14	40.2 Å²	40.2	9%	0.085	20%	0.195	C	C	.	.	H	α-helix	trans	-67.3	-27.6	179.1	175.9	0	0	0	0	112.5	H80 F82 I86 S87 N88 A126	H80-V84 HydrophobicContact CB-CG2 4.3Å; F82-V84 HydrophobicContact CD2-CG2 4.38Å; F82-V84 HydrophobicContact CE2-CG2 3.9Å; F82-V84 HydrophobicContact CZ-CG2 3.98Å; F82-V84 PolarHBondContact O-N 2.04Å; V84-I86 PolarHBondContact O-N 3.41Å; V84-S87 CarbonylContact O-C 3.54Å; V84-S87 WeakPolarHBondContact O-CB 3.42Å; V84-S87 PolarHBondContact O-N 3.07Å; V84-N88 WeakPolarHBondContact O-CB 3.28Å; V84-N88 VanDerWaalsContact O-CG 3.26Å; V84-N88 PolarHBondContact O-N 2.8Å; V84-N88 PolarHBondContact O-OD1 3.1Å; V84-A126 HydrophobicContact CG2-CB 4.16Å
85	L	95.4	Very high	93.8	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-51.2	176.2	177.8	66.2	0	0	0	111.1	I64 D69 V72 R73 N83 S87 N88 R89	I64-L85 HydrophobicContact CG1-CD2 4.23Å; D69-L85 HydrophobicContact CB-CD1 4.21Å; D69-L85 HydrophobicContact CB-CD2 3.98Å; V72-L85 HydrophobicContact CB-CD1 4.29Å; V72-L85 HydrophobicContact CG1-CB 4.1Å; V72-L85 HydrophobicContact CG1-CD1 4.06Å; R73-L85 HydrophobicContact CB-CB 4.09Å; R73-L85 HydrophobicContact CB-CD2 4.32Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 3.5Å; N83-L85 WeakPolarHBondContact OD1-CB 3.24Å; N83-L85 PolarHBondContact OD1-N 3.11Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.28Å; L85-N88 PolarHBondContact O-N 3.07Å; L85-R89 WeakPolarHBondContact O-CG 3.36Å; L85-R89 PolarHBondContact O-N 3.42Å; L85-R89 VanDerWaalsContact O-N 3.15Å
86	I	94.9	Very high	93.8	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-44.4	175.5	-64.8	178.6	0	0	0	110.1	M61 N83 V84 N88 R89 L90 D243 L245	M61-I86 HydrophobicContact CB-CG2 4.47Å; N83-I86 HydrophobicContact CB-CD1 4.36Å; N83-I86 WeakPolarHBondContact ND2-CD1 3.39Å; N83-I86 PolarHBondContact O-N 3.11Å; N83-I86 PolarHBondContact OD1-N 2.99Å; V84-I86 PolarHBondContact O-N 3.41Å; I86-N88 VanDerWaalsContact C-N 3.31Å; I86-N88 PolarHBondContact O-N 2.6Å; I86-R89 PolarHBondContact O-N 2.98Å; I86-L90 HydrophobicContact CG2-CD1 3.78Å; I86-L90 HydrophobicContact CG2-CG 4.08Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.05Å; I86-L90 PolarHBondContact O-N 3.32Å; I86-D243 VanDerWaalsContact CD1-O 3.25Å; I86-D243 WeakPolarHBondContact CD1-O 3.13Å; I86-L245 HydrophobicContact CB-CD2 3.92Å; I86-L245 HydrophobicContact CB-CG 4.36Å; I86-L245 HydrophobicContact CD1-CD2 4.49Å; I86-L245 HydrophobicContact CG2-CB 3.85Å; I86-L245 HydrophobicContact CG2-CD2 3.96Å; I86-L245 HydrophobicContact CG2-CG 3.94Å
87	S	96.4	Very high	93.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-43	179.4	-170.1	0	0	0	0	112.2	N83 V84 L85 L90 S128 R132	N83-S87 PolarHBondContact O-N 2.9Å; V84-S87 CarbonylContact O-C 3.54Å; V84-S87 WeakPolarHBondContact O-CB 3.42Å; V84-S87 PolarHBondContact O-N 3.07Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.28Å; S87-L90 PolarHBondContact O-N 2.92Å; S87-S128 WeakPolarHBondContact CB-OG 3.23Å; S87-S128 WeakPolarHBondContact OG-CB 3.5Å; S87-S128 PolarHBondContact OG-OG 3.12Å; S87-R132 PolarHBondContact O-NH2 2.92Å; S87-R132 PolarHBondContact OG-NH1 2.9Å; S87-R132 PolarHBondContact OG-NH2 2.93Å
88	N	95.8	Very high	94	Very high	83 Å²	83	43.8 Å²	43.8	44%	0.444	22%	0.22	S	C	.	.	H	α-helix	trans	-66.1	-42	178.6	-68.4	-5.3	0	0	0	111.4	V84 L85 I86 L90 G91 S128	V84-N88 WeakPolarHBondContact O-CB 3.28Å; V84-N88 VanDerWaalsContact O-CG 3.26Å; V84-N88 PolarHBondContact O-N 2.8Å; V84-N88 PolarHBondContact O-OD1 3.1Å; L85-N88 PolarHBondContact O-N 3.07Å; I86-N88 VanDerWaalsContact C-N 3.31Å; I86-N88 PolarHBondContact O-N 2.6Å; N88-L90 VanDerWaalsContact C-N 3.33Å; N88-L90 PolarHBondContact O-N 3.15Å; N88-G91 PolarHBondContact O-N 2.77Å; N88-S128 WeakPolarHBondContact OD1-CB 3.38Å; N88-S128 PolarHBondContact OD1-OG 3.11Å
89	R	95	Very high	94.2	Very high	80 Å²	80	37.9 Å²	37.9	30%	0.302	19%	0.194	S	C	.	.	H	α-helix	trans	-67.2	-29.7	178.9	-69.3	171.8	178.6	-176.2	-2.2	113.7	M61 M63 D69 L85 I86 G91	M61-R89 HydrophobicContact CE-CB 3.61Å; M61-R89 WeakPolarHBondContact O-CD 3.02Å; M61-R89 PolarHBondContact O-NH1 2.76Å; M61-R89 HydrophobicContact SD-CB 4.5Å; M63-R89 PolarHBondContact O-NH1 2.83Å; M63-R89 PolarHBondContact O-NH2 3.49Å; M63-R89 VanDerWaalsContact O-NH2 3.09Å; D69-R89 IonicContact OD1-CZ 3.91Å; D69-R89 IonicContact OD1-NH2 3.46Å; D69-R89 PolarHBondContact OD1-NH2 2.83Å; D69-R89 IonicContact OD2-NH2 3.57Å; D69-R89 PolarHBondContact OD2-NH2 3.3Å; L85-R89 WeakPolarHBondContact O-CG 3.36Å; L85-R89 PolarHBondContact O-N 3.42Å; L85-R89 VanDerWaalsContact O-N 3.15Å; I86-R89 PolarHBondContact O-N 2.98Å; R89-G91 VanDerWaalsContact C-N 3.26Å; R89-G91 PolarHBondContact O-N 2.91Å
90	L	93.4	Very high	94.2	Very high	21 Å²	21	33.4 Å²	33.4	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-68.5	-24.9	177.2	-76.7	169.6	0	0	0	113.3	L57 M61 I86 S87 N88 R94 L245	L57-L90 HydrophobicContact CD1-CD2 4.36Å; L57-L90 HydrophobicContact CD2-CD2 3.37Å; L57-L90 HydrophobicContact CG-CD2 4.47Å; M61-L90 HydrophobicContact CE-CB 4.47Å; M61-L90 HydrophobicContact CE-CD2 3.65Å; M61-L90 HydrophobicContact CE-CG 3.77Å; I86-L90 HydrophobicContact CG2-CD1 3.78Å; I86-L90 HydrophobicContact CG2-CG 4.08Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.05Å; I86-L90 PolarHBondContact O-N 3.32Å; S87-L90 PolarHBondContact O-N 2.92Å; N88-L90 VanDerWaalsContact C-N 3.33Å; N88-L90 PolarHBondContact O-N 3.15Å; L90-R94 VanDerWaalsContact CD1-NH1 3.29Å; L90-L245 HydrophobicContact CD1-CB 3.68Å; L90-L245 HydrophobicContact CD1-CG 4.13Å
91	G	93.5	Very high	94	Very high	26 Å²	26	35.2 Å²	35.2	27%	0.268	19%	0.187	S	C	.	.			trans	66.8	-163.6	-169.3	0	0	0	0	0	112.9	N88 R89 R132	N88-G91 PolarHBondContact O-N 2.77Å; R89-G91 VanDerWaalsContact C-N 3.26Å; R89-G91 PolarHBondContact O-N 2.91Å; G91-R132 PolarHBondContact O-NE 2.87Å; G91-R132 PolarHBondContact O-NH2 3.31Å
92	F	95.2	Very high	93.9	Very high	60 Å²	60	38.7 Å²	38.7	26%	0.263	21%	0.211	S	C	.	.	S	Bend	trans	-98.4	-19.9	-175.6	-45.8	-34	0	0	0	113.5	L131 R132 H135 Y168	F92-L131 HydrophobicContact CD1-CB 3.79Å; F92-L131 HydrophobicContact CD2-CB 4.15Å; F92-L131 HydrophobicContact CD2-CD1 4.42Å; F92-L131 HydrophobicContact CE1-CB 3.9Å; F92-L131 HydrophobicContact CE1-CD1 4.05Å; F92-L131 HydrophobicContact CE2-CB 4.22Å; F92-L131 HydrophobicContact CE2-CD1 3.71Å; F92-L131 HydrophobicContact CG-CB 3.95Å; F92-L131 HydrophobicContact CZ-CB 4.11Å; F92-L131 HydrophobicContact CZ-CD1 3.51Å; F92-L131 HydrophobicContact CZ-CG 4.46Å; F92-R132 WeakPolarHBondContact O-CG 3.47Å; F92-H135 HydrophobicContact CB-CB 4.27Å; F92-H135 VanDerWaalsContact CB-CD2 3.49Å; F92-H135 WeakPolarHBondContact CB-CD2 3.29Å; F92-H135 AromaticContact CD2-CD2 3.88Å; F92-H135 AromaticContact CD2-NE2 3.99Å; F92-H135 AromaticContact CG-CD2 3.99Å; F92-Y168 WeakPolarHBondContact CD2-OH 3.43Å; F92-Y168 HydrophobicContact CE2-CE2 4.08Å; F92-Y168 AromaticContact CE2-CZ 3.84Å; F92-Y168 WeakPolarHBondContact CE2-OH 3.5Å
93	H	94.8	Very high	93.7	Very high	108 Å²	108	43.1 Å²	43.1	50%	0.5	23%	0.228	S	C	.	.			trans	-115.5	113.7	179.4	-54.3	-82.5	0	0	0	109.1	H135 D139	H93-H135 AromaticContact CE1-CE1 3.73Å; H93-H135 AromaticContact CE1-CG 3.47Å; H93-H135 VanDerWaalsContact CE1-CG 3.47Å; H93-H135 AromaticContact CE1-ND1 3.15Å; H93-H135 PolarHBondContact CE1-ND1 3.16Å; H93-H135 AromaticContact NE2-CE1 3.73Å; H93-H135 AromaticContact NE2-CG 3.84Å; H93-H135 AromaticContact NE2-ND1 3.6Å; H93-D139 IonicContact CE1-OD1 2.87Å; H93-D139 IonicContact CE1-OD2 3.81Å; H93-D139 IonicContact CG-OD2 3.48Å; H93-D139 IonicContact ND1-OD1 3.55Å; H93-D139 IonicContact ND1-OD2 2.77Å; H93-D139 PolarHBondContact ND1-OD2 3.44Å
94	R	92.8	Very high	93.7	Very high	23 Å²	23	43.3 Å²	43.3	9%	0.087	23%	0.229	C	C	.	.			trans	-138.6	146.2	171.7	71.5	177.9	-175.5	159.9	3.3	111.2	L90 L96 R140 E212 L245	L90-R94 VanDerWaalsContact CD1-NH1 3.29Å; R94-L96 HydrophobicContact CG-CD2 4.27Å; R94-R140 PolarHBondContact O-NH2 3.45Å; R94-E212 IonicContact CZ-OE1 3.13Å; R94-E212 VanDerWaalsContact CZ-OE1 3.31Å; R94-E212 IonicContact CZ-OE2 3.57Å; R94-E212 IonicContact NE-OE1 2.8Å; R94-E212 PolarHBondContact NE-OE1 3.23Å; R94-E212 IonicContact NE-OE2 2.9Å; R94-E212 PolarHBondContact NE-OE2 2.9Å; R94-E212 VanDerWaalsContact NH2-CD 3.34Å; R94-E212 IonicContact NH2-OE1 3.86Å; R94-E212 PolarHBondContact NH2-OE1 2.98Å; R94-E212 IonicContact NH2-OE2 3.32Å; R94-E212 PolarHBondContact NH2-OE2 3.49Å; R94-L245 VanDerWaalsContact CZ-O 3.31Å; R94-L245 PolarHBondContact NH1-O 3.27Å; R94-L245 PolarHBondContact NH2-O 3.02Å
95	P	92.2	Very high	93.4	Very high	87 Å²	87	49.9 Å²	49.9	57%	0.565	25%	0.252	S	S	*	.			trans	-65.8	149.5	169.1	30.3	-36.3	0	0	0	110.3	A55	A55-P95 HydrophobicContact CB-CG 3.6Å
96	L	93.8	Very high	93.1	Very high	20 Å²	20	57.4 Å²	57.4	11%	0.105	29%	0.287	C	S	.	.			trans	-121.5	148.5	175.2	-63.1	177.8	0	0	0	109.8	R94 E212 V213 Y247	R94-L96 HydrophobicContact CG-CD2 4.27Å; L96-E212 HydrophobicContact CD1-CB 3.94Å; L96-V213 WeakPolarHBondContact CD1-O 3.37Å; L96-Y247 HydrophobicContact CD1-CD2 4.24Å; L96-Y247 HydrophobicContact CD1-CE2 4.03Å; L96-Y247 HydrophobicContact CD2-CD2 3.85Å; L96-Y247 HydrophobicContact CD2-CE2 4.47Å; L96-Y247 HydrophobicContact CD2-CG 4.34Å
97	P	93.3	Very high	92.8	Very high	52 Å²	52	60 Å²	60	34%	0.338	30%	0.298	S	S	.	.			trans	-65.4	135.9	166.8	28.9	-32.9	0	0	0	109.9	T99 N214 Y247	P97-T99 HydrophobicContact CG-CG2 4.29Å; P97-T99 PolarHBondContact O-N 2.85Å; P97-T99 VanDerWaalsContact O-N 3.08Å; P97-N214 PolarHBondContact O-ND2 3.16Å; P97-Y247 HydrophobicContact CG-CD1 4.06Å; P97-Y247 HydrophobicContact CG-CG 4.47Å
98	D	93.9	Very high	92.6	Very high	42 Å²	42	64.5 Å²	64.5	23%	0.225	34%	0.336	C	S	.	.			trans	-75.2	98.8	170.3	-179.9	4.2	0	0	0	109.5	R100 R105	D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 VanDerWaalsContact OD1-CB 3.28Å; D98-R100 WeakPolarHBondContact OD1-CB 3.4Å; D98-R100 WeakPolarHBondContact OD1-CG 3.43Å; D98-R100 IonicContact OD1-CZ 3.44Å; D98-R100 PolarHBondContact OD1-N 3.18Å; D98-R100 VanDerWaalsContact OD1-N 3.1Å; D98-R100 IonicContact OD1-NE 3.58Å; D98-R100 PolarHBondContact OD1-NE 3.29Å; D98-R100 IonicContact OD1-NH2 2.78Å; D98-R100 IonicContact OD2-CZ 3.77Å; D98-R100 IonicContact OD2-NE 3.55Å; D98-R100 PolarHBondContact OD2-NE 3.27Å; D98-R100 IonicContact OD2-NH2 3.39Å; D98-R100 PolarHBondContact OD2-NH2 3.37Å; D98-R105 PolarHBondContact O-NH2 2.94Å; D98-R105 IonicContact OD2-CZ 3.58Å; D98-R105 IonicContact OD2-NE 2.79Å; D98-R105 PolarHBondContact OD2-NE 2.9Å; D98-R105 IonicContact OD2-NH2 3.82Å; D98-R105 PolarHBondContact OD2-NH2 3.18Å
99	T	93.9	Very high	92.5	Very high	21 Å²	21	63.7 Å²	63.7	13%	0.129	33%	0.327	C	S	.	.			trans	-86.1	3.6	-176.8	53.3	0	0	0	0	113.6	P97 N214 D238 Y247 A249 R338	P97-T99 HydrophobicContact CG-CG2 4.29Å; P97-T99 PolarHBondContact O-N 2.85Å; P97-T99 VanDerWaalsContact O-N 3.08Å; T99-N214 PolarHBondContact OG1-ND2 2.92Å; T99-N214 VanDerWaalsContact OG1-ND2 3.08Å; T99-D238 WeakPolarHBondContact CB-OD2 3.49Å; T99-D238 PolarHBondContact OG1-OD2 2.89Å; T99-Y247 HydrophobicContact CG2-CD1 3.8Å; T99-Y247 HydrophobicContact CG2-CE1 3.57Å; T99-A249 HydrophobicContact CG2-CB 3.77Å; T99-R338 WeakPolarHBondContact O-CD 3.31Å; T99-R338 PolarHBondContact O-NH1 2.91Å; T99-R338 WeakPolarHBondContact OG1-CD 3.22Å; T99-R338 PolarHBondContact OG1-NE 3.42Å
100	R	93.1	Very high	92.3	Very high	34 Å²	34	63.3 Å²	63.3	13%	0.128	34%	0.335	C	S	.	.	S	Bend	trans	-72.9	155.5	178.4	-59.4	171.2	-60.7	164.8	6.2	110.9	D98 C104 E215 C336 R338	D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 VanDerWaalsContact OD1-CB 3.28Å; D98-R100 WeakPolarHBondContact OD1-CB 3.4Å; D98-R100 WeakPolarHBondContact OD1-CG 3.43Å; D98-R100 IonicContact OD1-CZ 3.44Å; D98-R100 PolarHBondContact OD1-N 3.18Å; D98-R100 VanDerWaalsContact OD1-N 3.1Å; D98-R100 IonicContact OD1-NE 3.58Å; D98-R100 PolarHBondContact OD1-NE 3.29Å; D98-R100 IonicContact OD1-NH2 2.78Å; D98-R100 IonicContact OD2-CZ 3.77Å; D98-R100 IonicContact OD2-NE 3.55Å; D98-R100 PolarHBondContact OD2-NE 3.27Å; D98-R100 IonicContact OD2-NH2 3.39Å; D98-R100 PolarHBondContact OD2-NH2 3.37Å; R100-C104 HydrophobicContact CB-CB 3.96Å; R100-E215 WeakPolarHBondContact CD-O 3.23Å; R100-E215 PolarHBondContact NE-O 3.21Å; R100-E215 PolarHBondContact NH1-O 3.43Å; R100-C336 VanDerWaalsContact CD-O 3.23Å; R100-C336 WeakPolarHBondContact CD-O 3.39Å; R100-R338 HydrophobicContact CG-CG 3.98Å
101	D	90.4	Very high	92	Very high	52 Å²	52	66.4 Å²	66.4	28%	0.278	36%	0.364	S	S	.	.			trans	-60.4	142.4	168.8	-172.2	-66	0	0	0	109.7	R103 C104 A280	D101-R103 PolarHBondContact O-N 2.94Å; D101-R103 WeakPolarHBondContact OD1-CB 3.45Å; D101-R103 WeakPolarHBondContact OD1-CG 3.43Å; D101-R103 IonicContact OD1-CZ 3.98Å; D101-R103 PolarHBondContact OD1-N 3.4Å; D101-R103 IonicContact OD1-NE 3.64Å; D101-R103 PolarHBondContact OD1-NE 2.86Å; D101-R103 IonicContact OD1-NH2 2.97Å; D101-R103 IonicContact OD2-CZ 2.81Å; D101-R103 IonicContact OD2-NE 2.75Å; D101-R103 PolarHBondContact OD2-NE 3.15Å; D101-R103 IonicContact OD2-NH2 3.49Å; D101-R103 PolarHBondContact OD2-NH2 2.89Å; D101-C104 VanDerWaalsContact O-CB 3.24Å; D101-C104 WeakPolarHBondContact O-CB 3.11Å; D101-C104 PolarHBondContact O-N 2.88Å; D101-A280 HydrophobicContact CB-CB 4.34Å
102	S	90.3	Very high	92	Very high	78 Å²	78	69 Å²	69	55%	0.545	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-50.9	-32.1	177.9	57.9	0	0	0	0	114	C104 R105	S102-C104 VanDerWaalsContact C-N 3.32Å; S102-C104 PolarHBondContact O-N 3.03Å; S102-R105 WeakPolarHBondContact O-CB 3.28Å; S102-R105 PolarHBondContact O-N 2.79Å
103	R	90.6	Very high	92.2	Very high	94 Å²	94	66.8 Å²	66.8	36%	0.355	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-66.1	-31.7	176.6	-68.1	171.2	-72	177.7	-2.7	112.7	D101 R105 Q106 K107 D277 A280	D101-R103 PolarHBondContact O-N 2.94Å; D101-R103 WeakPolarHBondContact OD1-CB 3.45Å; D101-R103 WeakPolarHBondContact OD1-CG 3.43Å; D101-R103 IonicContact OD1-CZ 3.98Å; D101-R103 PolarHBondContact OD1-N 3.4Å; D101-R103 IonicContact OD1-NE 3.64Å; D101-R103 PolarHBondContact OD1-NE 2.86Å; D101-R103 IonicContact OD1-NH2 2.97Å; D101-R103 IonicContact OD2-CZ 2.81Å; D101-R103 IonicContact OD2-NE 2.75Å; D101-R103 PolarHBondContact OD2-NE 3.15Å; D101-R103 IonicContact OD2-NH2 3.49Å; D101-R103 PolarHBondContact OD2-NH2 2.89Å; R103-R105 PolarHBondContact O-N 2.76Å; R103-Q106 PolarHBondContact O-N 3.46Å; R103-Q106 VanDerWaalsContact O-N 3.13Å; R103-K107 PolarHBondContact O-N 2.88Å; R103-D277 PolarHBondContact NH1-O 3Å; R103-A280 HydrophobicContact CB-CB 4.06Å
104	C	93.5	Very high	92.3	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.027	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-63.6	-29.6	176.8	-64.6	0	0	0	0	112.3	R100 D101 S102 Q106 K107 C336	R100-C104 HydrophobicContact CB-CB 3.96Å; D101-C104 VanDerWaalsContact O-CB 3.24Å; D101-C104 WeakPolarHBondContact O-CB 3.11Å; D101-C104 PolarHBondContact O-N 2.88Å; S102-C104 VanDerWaalsContact C-N 3.32Å; S102-C104 PolarHBondContact O-N 3.03Å; C104-Q106 PolarHBondContact O-N 3.31Å; C104-K107 PolarHBondContact O-N 3.41Å; C104-C336 VanDerWaalsContact CA-SG 3.55Å; C104-C336 HydrophobicContact CB-CB 3.61Å; C104-C336 WeakPolarHBondContact CB-SG 3.15Å; C104-C336 WeakPolarHBondContact SG-CA 3.43Å; C104-C336 WeakPolarHBondContact SG-CB 3.34Å; C104-C336 CovalentContact SG-SG 2.04Å; C104-C336 PolarHBondContact SG-SG 3.36Å
105	R	89.9	Confident	92.6	Very high	151 Å²	151	62.2 Å²	62.2	57%	0.57	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-68.3	-22.2	177.6	-59	-177.6	-179.5	165	6.2	113	D98 S102 R103	D98-R105 PolarHBondContact O-NH2 2.94Å; D98-R105 IonicContact OD2-CZ 3.58Å; D98-R105 IonicContact OD2-NE 2.79Å; D98-R105 PolarHBondContact OD2-NE 2.9Å; D98-R105 IonicContact OD2-NH2 3.82Å; D98-R105 PolarHBondContact OD2-NH2 3.18Å; S102-R105 WeakPolarHBondContact O-CB 3.28Å; S102-R105 PolarHBondContact O-N 2.79Å; R103-R105 PolarHBondContact O-N 2.76Å
106	Q	87.6	Confident	92.9	Very high	166 Å²	166	58.1 Å²	58.1	78%	0.776	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-95.8	-8	-179.6	-59.2	174.3	16.4	0	0	112.1	R103 C104 A108	R103-Q106 PolarHBondContact O-N 3.46Å; R103-Q106 VanDerWaalsContact O-N 3.13Å; C104-Q106 PolarHBondContact O-N 3.31Å; Q106-A108 PolarHBondContact O-N 3.17Å
107	K	90.3	Very high	93.1	Very high	57 Å²	57	57.1 Å²	57.1	25%	0.248	33%	0.326	C	S	.	.			trans	-73.2	127.5	178.6	-76.4	-168.1	170.5	-172.9	0	110.5	R103 C104 Y109 D277 A280	R103-K107 PolarHBondContact O-N 2.88Å; C104-K107 PolarHBondContact O-N 3.41Å; K107-Y109 HydrophobicContact CB-CE2 4.1Å; K107-D277 VanDerWaalsContact NZ-CG 3.33Å; K107-D277 IonicContact NZ-OD1 2.77Å; K107-D277 IonicContact NZ-OD2 3.83Å; K107-D277 PolarHBondContact NZ-OD2 3.43Å; K107-A280 PolarHBondContact NZ-O 2.84Å
108	A	91.1	Very high	93.4	Very high	96 Å²	96	54.7 Å²	54.7	79%	0.793	31%	0.31	S	S	*	.			trans	-96	144.1	168.4	0	0	0	0	0	109.9	Q106	Q106-A108 PolarHBondContact O-N 3.17Å
109	Y	92.9	Very high	93.6	Very high	65 Å²	65	52.7 Å²	52.7	26%	0.255	30%	0.3	S	S	.	.			trans	-118.2	151.3	175.7	-62.7	-83	0	0	0	109.5	K107 Q219 P220 A223	K107-Y109 HydrophobicContact CB-CE2 4.1Å; Y109-Q219 HydrophobicContact CD1-CB 4.3Å; Y109-Q219 HydrophobicContact CD2-CB 3.79Å; Y109-Q219 HydrophobicContact CE2-CB 4.41Å; Y109-Q219 HydrophobicContact CG-CB 3.74Å; Y109-P220 HydrophobicContact CE1-CB 4.03Å; Y109-P220 HydrophobicContact CE1-CG 4.24Å; Y109-P220 HydrophobicContact CE2-CG 4.01Å; Y109-P220 WeakPolarHBondContact OH-CB 3.33Å; Y109-P220 WeakPolarHBondContact OH-CG 3.3Å; Y109-A223 HydrophobicContact CD1-CB 3.95Å; Y109-A223 HydrophobicContact CE1-CB 4.45Å
110	P	91.4	Very high	93.9	Very high	73 Å²	73	51.7 Å²	51.7	47%	0.474	29%	0.293	S	S	.	.			trans	-53.8	141.3	173	-24.5	34.2	0	0	0	111.3	A112 L113	P110-A112 VanDerWaalsContact C-N 3.34Å; P110-L113 WeakPolarHBondContact O-CG 3.26Å
111	A	88.3	Confident	94.1	Very high	86 Å²	86	50.6 Å²	50.6	71%	0.711	29%	0.291	S	S	*	.	S	Bend	trans	-69.1	-35.8	176.6	0	0	0	0	0	111.9	L113	A111-L113 PolarHBondContact O-N 2.82Å
112	A	93.5	Very high	94.4	Very high	79 Å²	79	48.4 Å²	48.4	65%	0.653	28%	0.279	S	S	*	.			trans	-88.9	75.2	178.6	0	0	0	0	0	110.5	P110 Q226	P110-A112 VanDerWaalsContact C-N 3.34Å; A112-Q226 PolarHBondContact O-NE2 3.46Å
113	L	97.8	Very high	94.8	Very high	15 Å²	15	46 Å²	46	8%	0.079	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-95.8	154	169.6	-74.3	167.9	0	0	0	110.5	P110 A111 L145 Q219 L222 A223	P110-L113 WeakPolarHBondContact O-CG 3.26Å; A111-L113 PolarHBondContact O-N 2.82Å; L113-L145 HydrophobicContact CB-CD1 4.32Å; L113-L145 HydrophobicContact CB-CD2 3.65Å; L113-L145 HydrophobicContact CD1-CD1 4.16Å; L113-L145 WeakPolarHBondContact O-CD2 3.25Å; L113-Q219 HydrophobicContact CD1-CB 3.8Å; L113-Q219 HydrophobicContact CD1-CG 4.02Å; L113-L222 HydrophobicContact CB-CB 4.26Å; L113-L222 HydrophobicContact CB-CD1 4.24Å; L113-L222 HydrophobicContact CD1-CB 4.29Å; L113-L222 HydrophobicContact CD2-CB 4.13Å; L113-L222 HydrophobicContact CG-CB 4.47Å; L113-A223 HydrophobicContact CD2-CB 3.99Å
114	P	98.1	Very high	95.1	Very high	14 Å²	14	41.8 Å²	41.8	9%	0.091	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-65.6	144.2	-179.6	28	-36.3	0	0	0	111.7	E202 V203 L222 Q226	P114-E202 WeakPolarHBondContact CA-OE1 3.43Å; P114-E202 HydrophobicContact CB-CB 3.92Å; P114-V203 HydrophobicContact CB-CG2 3.92Å; P114-V203 HydrophobicContact CG-CG2 3.67Å; P114-L222 HydrophobicContact CG-CB 4.39Å; P114-L222 WeakPolarHBondContact O-CD1 3.41Å; P114-Q226 HydrophobicContact CG-CB 4.31Å
115	A	98.2	Very high	95.3	Very high	21 Å²	21	41.7 Å²	41.7	17%	0.174	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-75	138.5	-178.7	0	0	0	0	0	111.7	L145 H147 E202 V203	A115-L145 CarbonylContact C-O 3.17Å; A115-L145 WeakPolarHBondContact CA-O 3.5Å; A115-H147 HydrophobicContact CB-CB 4.06Å; A115-E202 PolarHBondContact N-OE1 2.95Å; A115-E202 PolarHBondContact O-N 2.88Å; A115-V203 PolarHBondContact O-N 3.19Å; A115-V203 VanDerWaalsContact O-N 3.09Å
116	A	98.6	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.2	-171.3	0	0	0	0	0	112.9	L145 H147 V203 V205 L218 L222	A116-L145 PolarHBondContact N-O 2.76Å; A116-H147 VanDerWaalsContact O-CB 3.31Å; A116-H147 WeakPolarHBondContact O-CB 3.26Å; A116-H147 PolarHBondContact O-N 3.01Å; A116-V203 CarbonylContact C-O 3.54Å; A116-V203 VanDerWaalsContact CA-O 3.31Å; A116-V203 WeakPolarHBondContact CA-O 3.48Å; A116-V205 HydrophobicContact CB-CG2 3.96Å; A116-L218 HydrophobicContact CB-CD1 4.14Å; A116-L218 HydrophobicContact CB-CD2 4.46Å; A116-L222 HydrophobicContact CB-CD2 4.05Å
117	S	98.9	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.6	164.7	-67	0	0	0	0	109.2	E148 G201 V203 V205	S117-E148 WeakPolarHBondContact CA-O 3.36Å; S117-E148 WeakPolarHBondContact OG-CG 3.49Å; S117-E148 PolarHBondContact OG-OE1 3.34Å; S117-E148 VanDerWaalsContact OG-OE1 3.11Å; S117-G201 WeakPolarHBondContact OG-CA 3.5Å; S117-G201 PolarHBondContact OG-N 2.62Å; S117-V203 PolarHBondContact N-O 3.49Å; S117-V205 PolarHBondContact O-N 3.16Å
118	V	98.9	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.3	176.8	-178.7	0	0	0	0	109.1	I120 V137 L146 E148 V149 I150 V205 L207 W217	V118-I120 HydrophobicContact CG1-CD1 4.35Å; V118-I120 HydrophobicContact CG1-CG1 4.14Å; V118-V137 HydrophobicContact CB-CG1 4.4Å; V118-V137 HydrophobicContact CG1-CG1 4.37Å; V118-V137 HydrophobicContact CG1-CG2 4.43Å; V118-V137 HydrophobicContact CG2-CG1 3.99Å; V118-L146 HydrophobicContact CB-CD1 4.43Å; V118-L146 HydrophobicContact CG2-CD1 3.61Å; V118-E148 PolarHBondContact N-O 2.76Å; V118-V149 HydrophobicContact CB-CG2 4.36Å; V118-V149 CarbonylContact O-C 3.56Å; V118-V149 WeakPolarHBondContact O-CA 3.45Å; V118-I150 PolarHBondContact O-N 2.87Å; V118-V205 CarbonylContact C-O 3.5Å; V118-V205 VanDerWaalsContact CA-O 3.25Å; V118-V205 WeakPolarHBondContact CA-O 3.39Å; V118-V205 HydrophobicContact CG2-CB 4.2Å; V118-L207 HydrophobicContact CG1-CD1 3.82Å; V118-L207 HydrophobicContact CG1-CG 4.17Å; V118-W217 HydrophobicContact CG2-CH2 4.46Å
119	V	98.9	Very high	96.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.9	-179.9	-179.9	0	0	0	0	109.3	I150 V152 V205 F206 L207	V119-I150 HydrophobicContact CG2-CB 4.49Å; V119-I150 HydrophobicContact CG2-CD1 4.48Å; V119-V152 HydrophobicContact CG1-CG2 4.29Å; V119-V205 PolarHBondContact N-O 3.17Å; V119-F206 HydrophobicContact CB-CD1 3.8Å; V119-F206 HydrophobicContact CB-CE1 3.94Å; V119-F206 HydrophobicContact CG1-CD1 4.01Å; V119-F206 HydrophobicContact CG1-CE1 3.99Å; V119-F206 HydrophobicContact CG2-CE1 4.3Å; V119-L207 PolarHBondContact O-N 3.23Å
120	I	98.8	Very high	97.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	108.3	179.1	-57.7	168.1	0	0	0	108.3	V118 L130 T133 V134 V149 I150 L151 V152 L207	V118-I120 HydrophobicContact CG1-CD1 4.35Å; V118-I120 HydrophobicContact CG1-CG1 4.14Å; I120-L130 HydrophobicContact CG2-CD1 4.3Å; I120-T133 HydrophobicContact CD1-CG2 3.98Å; I120-V134 HydrophobicContact CD1-CG2 4.19Å; I120-V149 HydrophobicContact CD1-CG1 3.92Å; I120-I150 PolarHBondContact N-O 3.41Å; I120-L151 HydrophobicContact CB-CD2 3.88Å; I120-L151 HydrophobicContact CD1-CD2 3.95Å; I120-L151 HydrophobicContact CG1-CD2 4.4Å; I120-L151 HydrophobicContact CG2-CD2 4.41Å; I120-L151 CarbonylContact O-C 3.59Å; I120-L151 WeakPolarHBondContact O-CA 3.19Å; I120-V152 PolarHBondContact O-N 3.23Å; I120-L207 HydrophobicContact CG1-CB 4.15Å
121	C	97.8	Very high	97.4	Very high	11 Å²	11	15.8 Å²	15.8	7%	0.074	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.2	173.7	-58	0	0	0	0	109.8	V152 L188 G191 R192	C121-V152 WeakPolarHBondContact CA-O 3.27Å; C121-V152 HydrophobicContact CB-CB 4.47Å; C121-L188 HydrophobicContact CB-CD1 4.26Å; C121-G191 PolarHBondContact SG-O 3.12Å; C121-R192 VanDerWaalsContact SG-CA 3.57Å; C121-R192 VanDerWaalsContact SG-CG 3.59Å; C121-R192 PolarHBondContact SG-N 2.83Å; C121-R192 VanDerWaalsContact SG-N 3.36Å
122	F	98.1	Very high	97.9	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.022	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150.3	179.2	71.5	-84.4	0	0	0	111.9	E125 L130 L151 V152 D153 D154 L161 L165 L179	F122-E125 HydrophobicContact CB-CB 4.08Å; F122-E125 HydrophobicContact CD2-CB 4.44Å; F122-L130 HydrophobicContact CB-CD1 4.24Å; F122-L130 HydrophobicContact CD1-CD1 4.13Å; F122-L130 HydrophobicContact CD1-CD2 4.3Å; F122-L130 HydrophobicContact CD2-CD2 3.99Å; F122-L130 HydrophobicContact CE1-CD2 4.31Å; F122-L130 HydrophobicContact CE2-CD2 3.99Å; F122-L130 HydrophobicContact CG-CD1 4.16Å; F122-L130 HydrophobicContact CG-CD2 4.14Å; F122-L130 HydrophobicContact CZ-CD2 4.14Å; F122-L151 HydrophobicContact CE1-CB 4.02Å; F122-V152 WeakPolarHBondContact CD1-O 3.4Å; F122-V152 PolarHBondContact N-O 3.3Å; F122-D153 HydrophobicContact CE1-CB 3.85Å; F122-D153 HydrophobicContact CE2-CB 3.96Å; F122-D153 HydrophobicContact CZ-CB 3.44Å; F122-D153 VanDerWaalsContact CZ-CB 3.44Å; F122-D154 PolarHBondContact O-N 3.36Å; F122-L161 HydrophobicContact CD2-CD1 4.23Å; F122-L161 HydrophobicContact CE2-CB 4.41Å; F122-L161 HydrophobicContact CE2-CD1 4.11Å; F122-L161 HydrophobicContact CE2-CD2 4.25Å; F122-L165 HydrophobicContact CE2-CD2 4.02Å; F122-L165 HydrophobicContact CZ-CD2 3.58Å; F122-L179 HydrophobicContact CE1-CD1 3.87Å; F122-L179 HydrophobicContact CZ-CD1 3.96Å
123	F	97.1	Very high	98.1	Very high	27 Å²	27	8.1 Å²	8.1	12%	0.118	5%	0.049	C	C	.	.	S	Bend	trans	-143.1	119	172.4	174.3	-107.7	0	0	0	107.9	E125 D154 H155 S156 R185 Y349	F123-E125 PolarHBondContact O-N 3.49Å; F123-E125 VanDerWaalsContact O-N 3.08Å; F123-D154 HydrophobicContact CB-CB 4.31Å; F123-D154 VanDerWaalsContact CD2-O 3.22Å; F123-D154 WeakPolarHBondContact CD2-O 3.37Å; F123-H155 WeakPolarHBondContact CE2-O 3.31Å; F123-S156 WeakPolarHBondContact CA-OG 3.23Å; F123-R185 HydrophobicContact CE2-CG 4.39Å; F123-Y349 HydrophobicContact CD1-CD1 4.27Å; F123-Y349 AromaticContact CD1-CD2 3.67Å; F123-Y349 HydrophobicContact CD1-CD2 3.67Å; F123-Y349 HydrophobicContact CD1-CE2 4.32Å; F123-Y349 AromaticContact CD1-CG 3.68Å; F123-Y349 HydrophobicContact CD1-CG 3.68Å; F123-Y349 AromaticContact CE1-CD1 3.89Å; F123-Y349 HydrophobicContact CE1-CD1 3.89Å; F123-Y349 HydrophobicContact CE1-CD2 4.12Å; F123-Y349 AromaticContact CE1-CG 3.65Å; F123-Y349 HydrophobicContact CE1-CG 3.65Å; F123-Y349 WeakPolarHBondContact O-CE2 3.5Å
124	N	96.8	Very high	98.2	Very high	7 Å²	7	7.4 Å²	7.4	4%	0.037	5%	0.045	C	C	.	.	S	Bend	trans	52.6	29.8	-179.7	-72	-11.1	0	0	0	114	H80 S156 E157 L158 Y349	H80-N124 PolarHBondContact CE1-O 3.15Å; H80-N124 PolarHBondContact ND1-O 3.39Å; H80-N124 VanDerWaalsContact ND1-O 3.14Å; N124-S156 PolarHBondContact N-OG 2.82Å; N124-S156 WeakPolarHBondContact OD1-CA 3.43Å; N124-S156 WeakPolarHBondContact OD1-CB 3.38Å; N124-E157 PolarHBondContact ND2-OE2 3.1Å; N124-E157 PolarHBondContact OD1-N 3.09Å; N124-L158 HydrophobicContact CB-CD1 3.95Å; N124-L158 HydrophobicContact CB-CG 4.08Å; N124-L158 WeakPolarHBondContact O-CD1 3.48Å; N124-L158 PolarHBondContact OD1-N 3Å; N124-Y349 HydrophobicContact CB-CD1 4.38Å; N124-Y349 HydrophobicContact CB-CE1 3.63Å; N124-Y349 HydrophobicContact CB-CE2 3.77Å; N124-Y349 WeakPolarHBondContact CB-OH 3.45Å; N124-Y349 PolarHBondContact O-OH 3.05Å
125	E	97.9	Very high	98.2	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.009	5%	0.045	C	C	.	.			trans	-67.9	145.6	-179.2	-170.2	59.3	-92.7	0	0	112.1	F122 F123 P127 L130 L161 S209 H210 R344	F122-E125 HydrophobicContact CB-CB 4.08Å; F122-E125 HydrophobicContact CD2-CB 4.44Å; F123-E125 PolarHBondContact O-N 3.49Å; F123-E125 VanDerWaalsContact O-N 3.08Å; E125-P127 WeakPolarHBondContact O-CD 3.48Å; E125-L130 HydrophobicContact CB-CB 4.36Å; E125-L130 HydrophobicContact CG-CB 3.93Å; E125-L161 WeakPolarHBondContact O-CD1 3.12Å; E125-S209 PolarHBondContact OE2-OG 2.65Å; E125-H210 IonicContact OE2-CE1 3.84Å; E125-H210 IonicContact OE2-CG 3.99Å; E125-H210 IonicContact OE2-ND1 2.65Å; E125-H210 PolarHBondContact OE2-ND1 3.36Å; E125-R344 VanDerWaalsContact CD-NH2 3.27Å; E125-R344 IonicContact OE1-CZ 3.55Å; E125-R344 IonicContact OE1-NH1 3.08Å; E125-R344 IonicContact OE1-NH2 3.4Å; E125-R344 PolarHBondContact OE1-NH2 2.86Å; E125-R344 IonicContact OE2-CZ 3.83Å; E125-R344 IonicContact OE2-NH1 3.92Å; E125-R344 IonicContact OE2-NH2 3.02Å; E125-R344 PolarHBondContact OE2-NH2 3.05Å; E125-R344 VanDerWaalsContact OE2-NH2 3.14Å
126	A	97.5	Very high	98.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.037	C	C	.	.			trans	-63.3	127.6	172.9	0	0	0	0	0	109.7	F82 V84 S128 A129 L130	F82-A126 HydrophobicContact CE1-CB 4.18Å; F82-A126 HydrophobicContact CZ-CB 3.65Å; V84-A126 HydrophobicContact CG2-CB 4.16Å; A126-S128 PolarHBondContact O-N 3.24Å; A126-S128 VanDerWaalsContact O-N 3.09Å; A126-A129 HydrophobicContact CB-CB 4.45Å; A126-A129 PolarHBondContact O-N 3.11Å; A126-L130 PolarHBondContact O-N 2.93Å
127	P	97.3	Very high	98.2	Very high	44 Å²	44	6.6 Å²	6.6	29%	0.286	4%	0.037	S	C	.	.	H	α-helix	trans	-53.6	-37.4	-176.5	-29.7	35.1	0	0	0	113.7	E125 A129 L130 L131 E160 L161	E125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-A129 PolarHBondContact O-N 3.37Å; P127-L130 PolarHBondContact O-N 3.08Å; P127-L131 WeakPolarHBondContact O-CB 3.41Å; P127-L131 WeakPolarHBondContact O-CG 3.41Å; P127-L131 PolarHBondContact O-N 3.18Å; P127-E160 HydrophobicContact CG-CB 3.9Å; P127-L161 HydrophobicContact CG-CD2 4.15Å
128	S	97.7	Very high	98.1	Very high	5 Å²	5	9 Å²	9	4%	0.035	5%	0.05	C	C	.	.	H	α-helix	trans	-66.5	-35	178.9	57.3	0	0	0	0	114	S87 N88 A126 R132	S87-S128 WeakPolarHBondContact CB-OG 3.23Å; S87-S128 WeakPolarHBondContact OG-CB 3.5Å; S87-S128 PolarHBondContact OG-OG 3.12Å; N88-S128 WeakPolarHBondContact OD1-CB 3.38Å; N88-S128 PolarHBondContact OD1-OG 3.11Å; A126-S128 PolarHBondContact O-N 3.24Å; A126-S128 VanDerWaalsContact O-N 3.09Å; S128-R132 WeakPolarHBondContact O-CB 3.33Å; S128-R132 PolarHBondContact O-N 3.49Å
129	A	98.3	Very high	98	Very high	3 Å²	3	13.1 Å²	13.1	3%	0.025	7%	0.072	C	C	.	.	H	α-helix	trans	-77	-41.9	175.9	0	0	0	0	0	111.7	F82 A126 P127 R132 T133 S209 H210 I342	F82-A129 HydrophobicContact CE2-CB 4.45Å; F82-A129 HydrophobicContact CZ-CB 3.78Å; A126-A129 HydrophobicContact CB-CB 4.45Å; A126-A129 PolarHBondContact O-N 3.11Å; P127-A129 PolarHBondContact O-N 3.37Å; A129-R132 PolarHBondContact O-N 2.9Å; A129-T133 PolarHBondContact O-N 2.88Å; A129-T133 PolarHBondContact O-OG1 3.28Å; A129-S209 CarbonylContact C-O 3.57Å; A129-H210 HydrophobicContact CB-CB 4.23Å; A129-I342 HydrophobicContact CB-CD1 4.36Å
130	L	98.6	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.8	-55	176.5	176.6	61.6	0	0	0	110.9	I120 F122 E125 A126 P127 R132 T133 V134 L161 L165 S209	I120-L130 HydrophobicContact CG2-CD1 4.3Å; F122-L130 HydrophobicContact CB-CD1 4.24Å; F122-L130 HydrophobicContact CD1-CD1 4.13Å; F122-L130 HydrophobicContact CD1-CD2 4.3Å; F122-L130 HydrophobicContact CD2-CD2 3.99Å; F122-L130 HydrophobicContact CE1-CD2 4.31Å; F122-L130 HydrophobicContact CE2-CD2 3.99Å; F122-L130 HydrophobicContact CG-CD1 4.16Å; F122-L130 HydrophobicContact CG-CD2 4.14Å; F122-L130 HydrophobicContact CZ-CD2 4.14Å; E125-L130 HydrophobicContact CB-CB 4.36Å; E125-L130 HydrophobicContact CG-CB 3.93Å; A126-L130 PolarHBondContact O-N 2.93Å; P127-L130 PolarHBondContact O-N 3.08Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.08Å; L130-T133 VanDerWaalsContact O-CB 3.31Å; L130-T133 WeakPolarHBondContact O-CB 3.49Å; L130-T133 PolarHBondContact O-N 2.85Å; L130-T133 VanDerWaalsContact O-N 3.1Å; L130-V134 WeakPolarHBondContact O-CG2 3.35Å; L130-V134 PolarHBondContact O-N 3.16Å; L130-V134 VanDerWaalsContact O-N 3.09Å; L130-L161 HydrophobicContact CD2-CD2 4.08Å; L130-L165 HydrophobicContact CD2-CD1 4.38Å; L130-L165 HydrophobicContact CD2-CD2 4.06Å; L130-S209 WeakPolarHBondContact CA-O 3.44Å; L130-S209 PolarHBondContact N-O 2.71Å
131	L	98.4	Very high	97.9	Very high	11 Å²	11	15.2 Å²	15.2	6%	0.058	8%	0.081	C	C	.	.	H	α-helix	trans	-68.1	-33.1	-177	-66.3	178.5	0	0	0	112.3	F92 P127 T133 V134 H135 L165 Y168 L173	F92-L131 HydrophobicContact CD1-CB 3.79Å; F92-L131 HydrophobicContact CD2-CB 4.15Å; F92-L131 HydrophobicContact CD2-CD1 4.42Å; F92-L131 HydrophobicContact CE1-CB 3.9Å; F92-L131 HydrophobicContact CE1-CD1 4.05Å; F92-L131 HydrophobicContact CE2-CB 4.22Å; F92-L131 HydrophobicContact CE2-CD1 3.71Å; F92-L131 HydrophobicContact CG-CB 3.95Å; F92-L131 HydrophobicContact CZ-CB 4.11Å; F92-L131 HydrophobicContact CZ-CD1 3.51Å; F92-L131 HydrophobicContact CZ-CG 4.46Å; P127-L131 WeakPolarHBondContact O-CB 3.41Å; P127-L131 WeakPolarHBondContact O-CG 3.41Å; P127-L131 PolarHBondContact O-N 3.18Å; L131-T133 VanDerWaalsContact C-N 3.31Å; L131-T133 PolarHBondContact O-N 3.08Å; L131-V134 PolarHBondContact O-N 2.59Å; L131-H135 WeakPolarHBondContact O-CB 3.38Å; L131-H135 PolarHBondContact O-CD2 3.49Å; L131-H135 VanDerWaalsContact O-CD2 3.23Å; L131-H135 PolarHBondContact O-N 3.3Å; L131-L165 HydrophobicContact CD2-CD1 4.06Å; L131-Y168 HydrophobicContact CD1-CD1 3.94Å; L131-Y168 HydrophobicContact CD1-CE1 3.82Å; L131-Y168 HydrophobicContact CD1-CE2 4.42Å; L131-Y168 HydrophobicContact CD1-CG 4.32Å; L131-Y168 HydrophobicContact CD2-CD1 3.64Å; L131-Y168 HydrophobicContact CD2-CE1 3.62Å; L131-Y168 HydrophobicContact CG-CD1 4.45Å; L131-Y168 HydrophobicContact CG-CE1 4.27Å; L131-L173 HydrophobicContact CD2-CD1 4.27Å
132	R	98.4	Very high	97.8	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.011	9%	0.088	C	C	.	.	H	α-helix	trans	-63.4	-37.3	171.3	-169.4	178.9	-50.7	125.4	22.4	112	S87 G91 F92 S128 A129 L130 S136 E212	S87-R132 PolarHBondContact O-NH2 2.92Å; S87-R132 PolarHBondContact OG-NH1 2.9Å; S87-R132 PolarHBondContact OG-NH2 2.93Å; G91-R132 PolarHBondContact O-NE 2.87Å; G91-R132 PolarHBondContact O-NH2 3.31Å; F92-R132 WeakPolarHBondContact O-CG 3.47Å; S128-R132 WeakPolarHBondContact O-CB 3.33Å; S128-R132 PolarHBondContact O-N 3.49Å; A129-R132 PolarHBondContact O-N 2.9Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.08Å; R132-S136 VanDerWaalsContact O-CB 3.25Å; R132-S136 WeakPolarHBondContact O-CB 3.25Å; R132-S136 PolarHBondContact O-N 2.79Å; R132-S136 PolarHBondContact O-OG 2.98Å; R132-E212 WeakPolarHBondContact CD-OE1 3.28Å; R132-E212 VanDerWaalsContact CD-OE2 3.26Å; R132-E212 WeakPolarHBondContact CD-OE2 3.07Å; R132-E212 HydrophobicContact CG-CG 4.08Å; R132-E212 IonicContact NH1-OE1 2.8Å
133	T	98.8	Very high	97.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-50.8	173.9	-53.4	0	0	0	0	110.7	I120 A129 L130 L131 S136 V137 S209 H210 C211	I120-T133 HydrophobicContact CD1-CG2 3.98Å; A129-T133 PolarHBondContact O-N 2.88Å; A129-T133 PolarHBondContact O-OG1 3.28Å; L130-T133 VanDerWaalsContact O-CB 3.31Å; L130-T133 WeakPolarHBondContact O-CB 3.49Å; L130-T133 PolarHBondContact O-N 2.85Å; L130-T133 VanDerWaalsContact O-N 3.1Å; L131-T133 VanDerWaalsContact C-N 3.31Å; L131-T133 PolarHBondContact O-N 3.08Å; T133-S136 PolarHBondContact O-N 3.35Å; T133-S136 PolarHBondContact O-OG 3.49Å; T133-V137 WeakPolarHBondContact O-CG2 3.42Å; T133-V137 PolarHBondContact O-N 3.32Å; T133-V137 VanDerWaalsContact O-N 3.16Å; T133-S209 VanDerWaalsContact OG1-C 3.27Å; T133-S209 PolarHBondContact OG1-O 2.99Å; T133-S209 VanDerWaalsContact OG1-O 3.08Å; T133-H210 WeakPolarHBondContact OG1-CA 3.31Å; T133-H210 PolarHBondContact OG1-N 3.27Å; T133-C211 WeakPolarHBondContact CA-O 3.37Å; T133-C211 WeakPolarHBondContact CB-O 3.44Å; T133-C211 HydrophobicContact CG2-CB 3.98Å; T133-C211 PolarHBondContact OG1-N 2.86Å; T133-C211 PolarHBondContact OG1-O 2.8Å
134	V	98.6	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-50	-179.6	-179.5	0	0	0	0	111.6	I120 L130 L131 S136 V137 L138 L151 L173 V177	I120-V134 HydrophobicContact CD1-CG2 4.19Å; L130-V134 WeakPolarHBondContact O-CG2 3.35Å; L130-V134 PolarHBondContact O-N 3.16Å; L130-V134 VanDerWaalsContact O-N 3.09Å; L131-V134 PolarHBondContact O-N 2.59Å; V134-S136 VanDerWaalsContact C-N 3.34Å; V134-S136 PolarHBondContact O-N 2.91Å; V134-V137 WeakPolarHBondContact O-CB 3.5Å; V134-V137 PolarHBondContact O-N 2.81Å; V134-L138 HydrophobicContact CG1-CD1 4Å; V134-L138 HydrophobicContact CG1-CG 4.44Å; V134-L138 WeakPolarHBondContact O-CG 3.34Å; V134-L138 PolarHBondContact O-N 2.85Å; V134-L151 HydrophobicContact CG2-CD1 4.08Å; V134-L151 HydrophobicContact CG2-CD2 3.6Å; V134-L151 HydrophobicContact CG2-CG 4.46Å; V134-L173 HydrophobicContact CG1-CD1 3.87Å; V134-L173 HydrophobicContact CG1-CD2 4.46Å; V134-V177 HydrophobicContact CG1-CG1 4.44Å; V134-V177 HydrophobicContact CG1-CG2 4.04Å
135	H	98.3	Very high	97.6	Very high	16 Å²	16	24.1 Å²	24.1	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-38.5	178.3	-80.2	-65.5	0	0	0	112.2	F92 H93 L131 V137 L138 D139 Y168 L173	F92-H135 HydrophobicContact CB-CB 4.27Å; F92-H135 VanDerWaalsContact CB-CD2 3.49Å; F92-H135 WeakPolarHBondContact CB-CD2 3.29Å; F92-H135 AromaticContact CD2-CD2 3.88Å; F92-H135 AromaticContact CD2-NE2 3.99Å; F92-H135 AromaticContact CG-CD2 3.99Å; H93-H135 AromaticContact CE1-CE1 3.73Å; H93-H135 AromaticContact CE1-CG 3.47Å; H93-H135 VanDerWaalsContact CE1-CG 3.47Å; H93-H135 AromaticContact CE1-ND1 3.15Å; H93-H135 PolarHBondContact CE1-ND1 3.16Å; H93-H135 AromaticContact NE2-CE1 3.73Å; H93-H135 AromaticContact NE2-CG 3.84Å; H93-H135 AromaticContact NE2-ND1 3.6Å; L131-H135 WeakPolarHBondContact O-CB 3.38Å; L131-H135 PolarHBondContact O-CD2 3.49Å; L131-H135 VanDerWaalsContact O-CD2 3.23Å; L131-H135 PolarHBondContact O-N 3.3Å; H135-V137 VanDerWaalsContact C-N 3.26Å; H135-V137 PolarHBondContact O-N 3.04Å; H135-L138 PolarHBondContact O-N 3.02Å; H135-L138 VanDerWaalsContact O-N 3.16Å; H135-D139 VanDerWaalsContact O-CB 3.26Å; H135-D139 WeakPolarHBondContact O-CB 3.41Å; H135-D139 PolarHBondContact O-N 3.19Å; H135-Y168 AromaticContact NE2-CE1 3.9Å; H135-Y168 AromaticContact NE2-CZ 3.83Å; H135-Y168 PolarHBondContact NE2-OH 2.85Å; H135-L173 WeakPolarHBondContact CE1-CD2 3.4Å
136	S	98.4	Very high	97.6	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-38.7	175.1	79.2	0	0	0	0	112.5	R132 T133 V134 R140 V213	R132-S136 VanDerWaalsContact O-CB 3.25Å; R132-S136 WeakPolarHBondContact O-CB 3.25Å; R132-S136 PolarHBondContact O-N 2.79Å; R132-S136 PolarHBondContact O-OG 2.98Å; T133-S136 PolarHBondContact O-N 3.35Å; T133-S136 PolarHBondContact O-OG 3.49Å; V134-S136 VanDerWaalsContact C-N 3.34Å; V134-S136 PolarHBondContact O-N 2.91Å; S136-R140 WeakPolarHBondContact O-CB 3.42Å; S136-R140 PolarHBondContact O-N 3.43Å; S136-V213 VanDerWaalsContact C-CG2 3.49Å; S136-V213 WeakPolarHBondContact O-CG2 3.46Å; S136-V213 PolarHBondContact OG-N 3.18Å
137	V	98.6	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.1	-45.5	176.4	170.9	0	0	0	0	110.6	V118 T133 V134 H135 S141 L146 V149 L207 V213 W217	V118-V137 HydrophobicContact CB-CG1 4.4Å; V118-V137 HydrophobicContact CG1-CG1 4.37Å; V118-V137 HydrophobicContact CG1-CG2 4.43Å; V118-V137 HydrophobicContact CG2-CG1 3.99Å; T133-V137 WeakPolarHBondContact O-CG2 3.42Å; T133-V137 PolarHBondContact O-N 3.32Å; T133-V137 VanDerWaalsContact O-N 3.16Å; V134-V137 WeakPolarHBondContact O-CB 3.5Å; V134-V137 PolarHBondContact O-N 2.81Å; H135-V137 VanDerWaalsContact C-N 3.26Å; H135-V137 PolarHBondContact O-N 3.04Å; V137-S141 WeakPolarHBondContact O-CB 3.47Å; V137-S141 PolarHBondContact O-N 2.86Å; V137-S141 VanDerWaalsContact O-N 3.16Å; V137-S141 PolarHBondContact O-OG 3.49Å; V137-L146 HydrophobicContact CG1-CD1 3.98Å; V137-L146 HydrophobicContact CG1-CD2 4.07Å; V137-V149 HydrophobicContact CG1-CG2 3.95Å; V137-L207 HydrophobicContact CG2-CD1 3.57Å; V137-V213 HydrophobicContact CG2-CG1 4.03Å; V137-V213 HydrophobicContact CG2-CG2 4.49Å; V137-W217 HydrophobicContact CG1-CZ2 4.42Å; V137-W217 HydrophobicContact CG2-CZ2 4.28Å
138	L	97.6	Very high	97.7	Very high	51 Å²	51	27 Å²	27	27%	0.267	15%	0.147	S	C	.	.	H	α-helix	trans	-64.1	-43.7	179.2	-66.8	172.4	0	0	0	111.8	V134 H135 L146 V149 L173 V177	V134-L138 HydrophobicContact CG1-CD1 4Å; V134-L138 HydrophobicContact CG1-CG 4.44Å; V134-L138 WeakPolarHBondContact O-CG 3.34Å; V134-L138 PolarHBondContact O-N 2.85Å; H135-L138 PolarHBondContact O-N 3.02Å; H135-L138 VanDerWaalsContact O-N 3.16Å; L138-L146 HydrophobicContact CD2-CD2 3.92Å; L138-V149 HydrophobicContact CD2-CG2 4.38Å; L138-L173 HydrophobicContact CD1-CD2 3.89Å; L138-V177 HydrophobicContact CD1-CG2 4.09Å; L138-V177 HydrophobicContact CD2-CG2 4.21Å
139	D	96.6	Very high	97.8	Very high	86 Å²	86	26.8 Å²	26.8	46%	0.46	15%	0.146	S	C	.	.	H	α-helix	trans	-71	-33.6	-174.9	-68.2	-14.6	0	0	0	112.7	H93 H135	H93-D139 IonicContact CE1-OD1 2.87Å; H93-D139 IonicContact CE1-OD2 3.81Å; H93-D139 IonicContact CG-OD2 3.48Å; H93-D139 IonicContact ND1-OD1 3.55Å; H93-D139 IonicContact ND1-OD2 2.77Å; H93-D139 PolarHBondContact ND1-OD2 3.44Å; H135-D139 VanDerWaalsContact O-CB 3.26Å; H135-D139 WeakPolarHBondContact O-CB 3.41Å; H135-D139 PolarHBondContact O-N 3.19Å
140	R	97.3	Very high	97.8	Very high	33 Å²	33	26.6 Å²	26.6	13%	0.125	14%	0.144	C	C	.	.	H	α-helix	trans	-115.8	9.3	-170.1	-60.3	-174.5	-174.6	94.5	14	115.2	R94 S136 V213 E215	R94-R140 PolarHBondContact O-NH2 3.45Å; S136-R140 WeakPolarHBondContact O-CB 3.42Å; S136-R140 PolarHBondContact O-N 3.43Å; R140-V213 HydrophobicContact CB-CG2 4.11Å; R140-V213 VanDerWaalsContact CD-O 3.23Å; R140-V213 WeakPolarHBondContact CD-O 3.49Å; R140-V213 PolarHBondContact NH1-O 3.44Å; R140-V213 VanDerWaalsContact NH1-O 3.1Å; R140-E215 IonicContact NE-OE1 2.71Å; R140-E215 PolarHBondContact NE-OE1 2.77Å
141	S	97.6	Very high	97.8	Very high	11 Å²	11	26.6 Å²	26.6	8%	0.077	14%	0.144	C	C	.	.	S	Bend	trans	-108.3	130	175	-52.9	0	0	0	0	110.5	V137 A143 W217	V137-S141 WeakPolarHBondContact O-CB 3.47Å; V137-S141 PolarHBondContact O-N 2.86Å; V137-S141 VanDerWaalsContact O-N 3.16Å; V137-S141 PolarHBondContact O-OG 3.49Å; S141-A143 PolarHBondContact O-N 3.05Å; S141-W217 PolarHBondContact OG-NE1 2.68Å; S141-W217 VanDerWaalsContact OG-NE1 3.11Å
142	P	96.2	Very high	97.8	Very high	32 Å²	32	26.1 Å²	26.1	21%	0.208	14%	0.142	C	C	.	.			trans	-57.3	132.9	176.7	-24.7	34	0	0	0	111.9	H144 L145 L146 Q219	P142-H144 PolarHBondContact O-N 3.27Å; P142-H144 VanDerWaalsContact O-N 3.1Å; P142-L145 HydrophobicContact CB-CB 4.4Å; P142-L145 HydrophobicContact CB-CD1 4.18Å; P142-L145 HydrophobicContact CB-CG 4.17Å; P142-L145 HydrophobicContact CG-CD1 4.04Å; P142-L145 PolarHBondContact O-N 2.84Å; P142-L146 PolarHBondContact O-N 3.18Å; P142-Q219 VanDerWaalsContact CG-NE2 3.34Å
143	A	94.7	Very high	97.8	Very high	76 Å²	76	26 Å²	26	63%	0.628	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.9	-172.8	0	0	0	0	0	114.3	S141 K176	S141-A143 PolarHBondContact O-N 3.05Å; A143-K176 PolarHBondContact O-NZ 3.35Å
144	H	95.6	Very high	97.7	Very high	127 Å²	127	26.4 Å²	26.4	59%	0.588	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-16.8	176.6	62.1	-82.9	0	0	0	113.3	P142	P142-H144 PolarHBondContact O-N 3.27Å; P142-H144 VanDerWaalsContact O-N 3.1Å
145	L	97.8	Very high	97.7	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-30.8	178.9	-58.4	-177.6	0	0	0	112.6	L113 A115 A116 P142 H147 L218 Q219 L222	L113-L145 HydrophobicContact CB-CD1 4.32Å; L113-L145 HydrophobicContact CB-CD2 3.65Å; L113-L145 HydrophobicContact CD1-CD1 4.16Å; L113-L145 WeakPolarHBondContact O-CD2 3.25Å; A115-L145 CarbonylContact C-O 3.17Å; A115-L145 WeakPolarHBondContact CA-O 3.5Å; A116-L145 PolarHBondContact N-O 2.76Å; P142-L145 HydrophobicContact CB-CB 4.4Å; P142-L145 HydrophobicContact CB-CD1 4.18Å; P142-L145 HydrophobicContact CB-CG 4.17Å; P142-L145 HydrophobicContact CG-CD1 4.04Å; P142-L145 PolarHBondContact O-N 2.84Å; L145-H147 PolarHBondContact O-N 3.43Å; L145-L218 HydrophobicContact CB-CD2 3.92Å; L145-Q219 HydrophobicContact CD1-CG 3.73Å; L145-L222 HydrophobicContact CB-CD1 4.23Å; L145-L222 HydrophobicContact CD1-CD1 4.16Å
146	L	98.1	Very high	97.6	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	101.8	175.2	-177.3	63.5	0	0	0	110	V118 V137 L138 P142 V149 K176	V118-L146 HydrophobicContact CB-CD1 4.43Å; V118-L146 HydrophobicContact CG2-CD1 3.61Å; V137-L146 HydrophobicContact CG1-CD1 3.98Å; V137-L146 HydrophobicContact CG1-CD2 4.07Å; L138-L146 HydrophobicContact CD2-CD2 3.92Å; P142-L146 PolarHBondContact O-N 3.18Å; L146-V149 HydrophobicContact CD1-CG2 4.03Å; L146-V149 HydrophobicContact CD2-CG2 4.19Å; L146-K176 HydrophobicContact CD2-CD 4.4Å; L146-K176 HydrophobicContact CG-CD 4.39Å; L146-K176 WeakPolarHBondContact O-CE 3.14Å; L146-K176 PolarHBondContact O-NZ 3.38Å
147	H	98.1	Very high	97.5	Very high	83 Å²	83	35.6 Å²	35.6	38%	0.384	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-55.2	179.4	-174.9	62.3	0	0	0	111.6	A115 A116 L145 T200 G201	A115-H147 HydrophobicContact CB-CB 4.06Å; A116-H147 VanDerWaalsContact O-CB 3.31Å; A116-H147 WeakPolarHBondContact O-CB 3.26Å; A116-H147 PolarHBondContact O-N 3.01Å; L145-H147 PolarHBondContact O-N 3.43Å; H147-T200 PolarHBondContact CD2-OG1 3.31Å; H147-T200 PolarHBondContact NE2-OG1 2.99Å; H147-G201 PolarHBondContact CD2-N 3.11Å; H147-G201 VanDerWaalsContact CD2-N 3.32Å
148	E	98.4	Very high	97.3	Very high	20 Å²	20	37 Å²	37	9%	0.093	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	159.3	179	64	-173.1	130	0	0	110.7	S117 V118 I150 K176 R178 T200	S117-E148 WeakPolarHBondContact CA-O 3.36Å; S117-E148 WeakPolarHBondContact OG-CG 3.49Å; S117-E148 PolarHBondContact OG-OE1 3.34Å; S117-E148 VanDerWaalsContact OG-OE1 3.11Å; V118-E148 PolarHBondContact N-O 2.76Å; E148-I150 HydrophobicContact CG-CD1 4.2Å; E148-I150 HydrophobicContact CG-CG1 4.07Å; E148-I150 WeakPolarHBondContact OE2-CD1 3.39Å; E148-I150 WeakPolarHBondContact OE2-CG1 3.41Å; E148-K176 CarbonylContact C-O 3.59Å; E148-K176 VanDerWaalsContact CA-O 3.31Å; E148-K176 WeakPolarHBondContact CA-O 3.27Å; E148-R178 IonicContact OE2-CZ 3.61Å; E148-R178 IonicContact OE2-NE 3.55Å; E148-R178 IonicContact OE2-NH2 2.83Å; E148-R178 PolarHBondContact OE2-NH2 2.97Å; E148-T200 PolarHBondContact OE1-N 3.39Å; E148-T200 PolarHBondContact OE1-OG1 3.12Å
149	V	98.8	Very high	97.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.4	167.2	-177.1	0	0	0	0	107.8	V118 I120 V137 L138 L146 L151 K176 V177 R178	V118-V149 HydrophobicContact CB-CG2 4.36Å; V118-V149 CarbonylContact O-C 3.56Å; V118-V149 WeakPolarHBondContact O-CA 3.45Å; I120-V149 HydrophobicContact CD1-CG1 3.92Å; V137-V149 HydrophobicContact CG1-CG2 3.95Å; L138-V149 HydrophobicContact CD2-CG2 4.38Å; L146-V149 HydrophobicContact CD1-CG2 4.03Å; L146-V149 HydrophobicContact CD2-CG2 4.19Å; V149-L151 HydrophobicContact CG1-CD2 3.92Å; V149-K176 PolarHBondContact N-O 2.88Å; V149-V177 HydrophobicContact CB-CG1 4.4Å; V149-V177 HydrophobicContact CB-CG2 4.15Å; V149-V177 CarbonylContact O-C 3.49Å; V149-V177 WeakPolarHBondContact O-CA 3Å; V149-R178 PolarHBondContact O-N 3.16Å
150	I	98.8	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.5	180	-58.5	169.5	0	0	0	108.1	V118 V119 I120 E148 V152 R178 V180 H198 A199	V118-I150 PolarHBondContact O-N 2.87Å; V119-I150 HydrophobicContact CG2-CB 4.49Å; V119-I150 HydrophobicContact CG2-CD1 4.48Å; I120-I150 PolarHBondContact N-O 3.41Å; E148-I150 HydrophobicContact CG-CD1 4.2Å; E148-I150 HydrophobicContact CG-CG1 4.07Å; E148-I150 WeakPolarHBondContact OE2-CD1 3.39Å; E148-I150 WeakPolarHBondContact OE2-CG1 3.41Å; I150-V152 HydrophobicContact CG2-CG2 3.97Å; I150-R178 CarbonylContact C-O 3.36Å; I150-R178 WeakPolarHBondContact CA-O 3.32Å; I150-V180 HydrophobicContact CG2-CG2 3.95Å; I150-H198 HydrophobicContact CD1-CB 4.21Å; I150-A199 VanDerWaalsContact CD1-CA 3.44Å; I150-A199 HydrophobicContact CD1-CB 3.67Å
151	L	98.6	Very high	97.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.4	171.7	-51.7	-175.4	0	0	0	108.2	I120 F122 V134 V149 V169 V177 R178 L179 V180	I120-L151 HydrophobicContact CB-CD2 3.88Å; I120-L151 HydrophobicContact CD1-CD2 3.95Å; I120-L151 HydrophobicContact CG1-CD2 4.4Å; I120-L151 HydrophobicContact CG2-CD2 4.41Å; I120-L151 CarbonylContact O-C 3.59Å; I120-L151 WeakPolarHBondContact O-CA 3.19Å; F122-L151 HydrophobicContact CE1-CB 4.02Å; V134-L151 HydrophobicContact CG2-CD1 4.08Å; V134-L151 HydrophobicContact CG2-CD2 3.6Å; V134-L151 HydrophobicContact CG2-CG 4.46Å; V149-L151 HydrophobicContact CG1-CD2 3.92Å; L151-V169 HydrophobicContact CD1-CG2 4.18Å; L151-V177 HydrophobicContact CD1-CG1 3.82Å; L151-V177 HydrophobicContact CG-CG1 3.88Å; L151-R178 PolarHBondContact N-O 3.06Å; L151-L179 HydrophobicContact CB-CD1 3.76Å; L151-L179 CarbonylContact O-C 3.2Å; L151-L179 WeakPolarHBondContact O-CA 3.21Å; L151-V180 PolarHBondContact O-N 3.3Å
152	V	98.7	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	105.3	177.3	-172.4	0	0	0	0	108.4	V119 I120 C121 F122 I150 D154 V180 I194	V119-V152 HydrophobicContact CG1-CG2 4.29Å; I120-V152 PolarHBondContact O-N 3.23Å; C121-V152 WeakPolarHBondContact CA-O 3.27Å; C121-V152 HydrophobicContact CB-CB 4.47Å; F122-V152 WeakPolarHBondContact CD1-O 3.4Å; F122-V152 PolarHBondContact N-O 3.3Å; I150-V152 HydrophobicContact CG2-CG2 3.97Å; V152-D154 PolarHBondContact O-N 3.21Å; V152-V180 WeakPolarHBondContact CA-O 3.35Å; V152-I194 HydrophobicContact CG1-CG2 4.3Å
153	D	98.6	Very high	97	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	108.9	171.5	177.4	20.9	0	0	0	109.2	F122 H155 S156 L179 V180 R181 N182	F122-D153 HydrophobicContact CE1-CB 3.85Å; F122-D153 HydrophobicContact CE2-CB 3.96Å; F122-D153 HydrophobicContact CZ-CB 3.44Å; F122-D153 VanDerWaalsContact CZ-CB 3.44Å; D153-H155 PolarHBondContact O-N 3.43Å; D153-H155 PolarHBondContact OD1-N 2.89Å; D153-S156 WeakPolarHBondContact OD1-CB 3.2Å; D153-S156 PolarHBondContact OD1-N 2.04Å; D153-S156 PolarHBondContact OD1-OG 3.39Å; D153-L179 HydrophobicContact CB-CD1 4.33Å; D153-V180 PolarHBondContact N-O 2.75Å; D153-R181 HydrophobicContact CB-CG 4.15Å; D153-R181 IonicContact OD2-CZ 3.92Å; D153-R181 IonicContact OD2-NH1 3.37Å; D153-R181 PolarHBondContact OD2-NH1 2.82Å; D153-N182 WeakPolarHBondContact O-CB 3.47Å; D153-N182 PolarHBondContact O-N 2.62Å
154	D	97.6	Very high	97.1	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.048	23%	0.228	C	C	.	.			trans	-81.4	49.8	178.1	-170.6	39	0	0	0	112.2	F122 F123 V152 N182 E186 G187	F122-D154 PolarHBondContact O-N 3.36Å; F123-D154 HydrophobicContact CB-CB 4.31Å; F123-D154 VanDerWaalsContact CD2-O 3.22Å; F123-D154 WeakPolarHBondContact CD2-O 3.37Å; V152-D154 PolarHBondContact O-N 3.21Å; D154-N182 PolarHBondContact OD1-ND2 2.91Å; D154-E186 WeakPolarHBondContact OD1-CA 3.38Å; D154-E186 WeakPolarHBondContact OD1-CB 3.31Å; D154-E186 PolarHBondContact OD1-N 3.23Å; D154-G187 PolarHBondContact OD1-N 3.2Å; D154-G187 WeakPolarHBondContact OD2-CA 3.25Å; D154-G187 PolarHBondContact OD2-N 3.48Å
155	H	97.1	Very high	97.1	Very high	76 Å²	76	42.2 Å²	42.2	35%	0.352	20%	0.202	S	C	.	.			trans	62.5	50.2	179.1	-161.4	76.6	0	0	0	113.6	F123 D153 N182 R183 Q184 R185	F123-H155 WeakPolarHBondContact CE2-O 3.31Å; D153-H155 PolarHBondContact O-N 3.43Å; D153-H155 PolarHBondContact OD1-N 2.89Å; H155-N182 PolarHBondContact ND1-O 2.99Å; H155-R183 PolarHBondContact CE1-O 3.47Å; H155-R183 PolarHBondContact ND1-O 3.32Å; H155-Q184 VanDerWaalsContact CB-C 3.41Å; H155-R185 HydrophobicContact CB-CB 4.32Å
156	S	97.3	Very high	97	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	21%	0.213	C	C	.	.			trans	-56.4	152	174.9	-57.7	0	0	0	0	111.8	F123 N124 D153 K162	F123-S156 WeakPolarHBondContact CA-OG 3.23Å; N124-S156 PolarHBondContact N-OG 2.82Å; N124-S156 WeakPolarHBondContact OD1-CA 3.43Å; N124-S156 WeakPolarHBondContact OD1-CB 3.38Å; D153-S156 WeakPolarHBondContact OD1-CB 3.2Å; D153-S156 PolarHBondContact OD1-N 2.04Å; D153-S156 PolarHBondContact OD1-OG 3.39Å; S156-K162 WeakPolarHBondContact O-CE 3.44Å; S156-K162 PolarHBondContact O-NZ 3.4Å
157	E	95	Very high	96.9	Very high	135 Å²	135	50.7 Å²	50.7	63%	0.631	24%	0.237	S	C	*	.			trans	-107	-15.4	-178.9	-62	167.7	152.2	0	0	112	N124 E159	N124-E157 PolarHBondContact ND2-OE2 3.1Å; N124-E157 PolarHBondContact OD1-N 3.09Å; E157-E159 PolarHBondContact O-N 2.86Å
158	L	95	Very high	96.8	Very high	29 Å²	29	49.3 Å²	49.3	15%	0.152	23%	0.228	C	C	.	.			trans	-70.2	128.1	179.6	-60.1	-179.8	0	0	0	111.3	N124 E160 L161	N124-L158 HydrophobicContact CB-CD1 3.95Å; N124-L158 HydrophobicContact CB-CG 4.08Å; N124-L158 WeakPolarHBondContact O-CD1 3.48Å; N124-L158 PolarHBondContact OD1-N 3Å; L158-E160 VanDerWaalsContact C-N 3.28Å; L158-E160 PolarHBondContact O-N 2.68Å; L158-L161 HydrophobicContact CB-CD1 4.04Å; L158-L161 HydrophobicContact CB-CG 4.14Å; L158-L161 HydrophobicContact CD1-CD1 4.13Å; L158-L161 HydrophobicContact CG-CD1 4.48Å; L158-L161 WeakPolarHBondContact O-CB 3.35Å; L158-L161 PolarHBondContact O-N 2.9Å; L158-L161 VanDerWaalsContact O-N 3.08Å
159	E	95.7	Very high	96.7	Very high	149 Å²	149	49 Å²	49	70%	0.696	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-61	-35.1	-178.8	-68.2	-57.5	139.1	0	0	112.4	E157 L161 K162	E157-E159 PolarHBondContact O-N 2.86Å; E159-L161 PolarHBondContact O-N 3.4Å; E159-L161 VanDerWaalsContact O-N 3.14Å; E159-K162 WeakPolarHBondContact O-CB 3.44Å; E159-K162 PolarHBondContact O-N 3.14Å
160	E	94	Very high	96.5	Very high	80 Å²	80	57 Å²	57	37%	0.374	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-65.7	-19.7	179.2	-48.8	92	167.1	0	0	112.2	P127 L158	P127-E160 HydrophobicContact CG-CB 3.9Å; L158-E160 VanDerWaalsContact C-N 3.28Å; L158-E160 PolarHBondContact O-N 2.68Å
161	L	97.1	Very high	96.3	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-91	4.3	176.8	-60	177.6	0	0	0	113.1	F122 E125 P127 L130 L158 E159 L165 R181	F122-L161 HydrophobicContact CD2-CD1 4.23Å; F122-L161 HydrophobicContact CE2-CB 4.41Å; F122-L161 HydrophobicContact CE2-CD1 4.11Å; F122-L161 HydrophobicContact CE2-CD2 4.25Å; E125-L161 WeakPolarHBondContact O-CD1 3.12Å; P127-L161 HydrophobicContact CG-CD2 4.15Å; L130-L161 HydrophobicContact CD2-CD2 4.08Å; L158-L161 HydrophobicContact CB-CD1 4.04Å; L158-L161 HydrophobicContact CB-CG 4.14Å; L158-L161 HydrophobicContact CD1-CD1 4.13Å; L158-L161 HydrophobicContact CG-CD1 4.48Å; L158-L161 WeakPolarHBondContact O-CB 3.35Å; L158-L161 PolarHBondContact O-N 2.9Å; L158-L161 VanDerWaalsContact O-N 3.08Å; E159-L161 PolarHBondContact O-N 3.4Å; E159-L161 VanDerWaalsContact O-N 3.14Å; L161-L165 HydrophobicContact CB-CD2 4.49Å; L161-L165 HydrophobicContact CD2-CD2 4.19Å; L161-R181 VanDerWaalsContact O-CZ 3.32Å; L161-R181 PolarHBondContact O-NH1 2.94Å; L161-R181 PolarHBondContact O-NH2 3.32Å
162	K	96.4	Very high	96.1	Very high	54 Å²	54	66.1 Å²	66.1	24%	0.235	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-119.1	178.7	-55.8	-58.2	-176.6	175.6	0	110.9	S156 E159 E164 L165 D166 R181	S156-K162 WeakPolarHBondContact O-CE 3.44Å; S156-K162 PolarHBondContact O-NZ 3.4Å; E159-K162 WeakPolarHBondContact O-CB 3.44Å; E159-K162 PolarHBondContact O-N 3.14Å; K162-E164 PolarHBondContact O-N 2.99Å; K162-L165 PolarHBondContact O-N 2.83Å; K162-L165 VanDerWaalsContact O-N 3.16Å; K162-D166 PolarHBondContact O-N 3.28Å; K162-R181 PolarHBondContact O-NH2 2.77Å
163	D	96.2	Very high	95.8	Very high	121 Å²	121	66.4 Å²	66.4	65%	0.647	31%	0.307	S	S	*	.	H	α-helix	trans	-61.1	-30.8	-172.5	-67.7	-13.7	0	0	0	113.1	R167	D163-R167 VanDerWaalsContact O-CB 3.32Å; D163-R167 WeakPolarHBondContact O-CB 3.41Å; D163-R167 PolarHBondContact O-N 2.88Å
164	E	96.1	Very high	94.8	Very high	112 Å²	112	73.2 Å²	73.2	52%	0.523	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-47.7	176.5	-174	175.8	171.6	0	0	111.8	K162 R167 Y168	K162-E164 PolarHBondContact O-N 2.99Å; E164-R167 PolarHBondContact O-N 3.46Å; E164-Y168 WeakPolarHBondContact O-CB 3.47Å; E164-Y168 PolarHBondContact O-N 2.85Å
165	L	96.8	Very high	94.1	Very high	8 Å²	8	76.7 Å²	76.7	4%	0.042	38%	0.377	C	S	.	.	H	α-helix	trans	-63.9	-41.7	175.4	-177.9	63.1	0	0	0	111.6	F122 L130 L131 L161 K162 R167 Y168 V169 L179	F122-L165 HydrophobicContact CE2-CD2 4.02Å; F122-L165 HydrophobicContact CZ-CD2 3.58Å; L130-L165 HydrophobicContact CD2-CD1 4.38Å; L130-L165 HydrophobicContact CD2-CD2 4.06Å; L131-L165 HydrophobicContact CD2-CD1 4.06Å; L161-L165 HydrophobicContact CB-CD2 4.49Å; L161-L165 HydrophobicContact CD2-CD2 4.19Å; K162-L165 PolarHBondContact O-N 2.83Å; K162-L165 VanDerWaalsContact O-N 3.16Å; L165-R167 VanDerWaalsContact C-N 3.28Å; L165-R167 PolarHBondContact O-N 2.9Å; L165-Y168 PolarHBondContact O-N 3.36Å; L165-V169 HydrophobicContact CD1-CG2 4.04Å; L165-V169 HydrophobicContact CG-CG2 4.25Å; L165-V169 WeakPolarHBondContact O-CB 3.34Å; L165-V169 VanDerWaalsContact O-CG2 3.28Å; L165-V169 WeakPolarHBondContact O-CG2 3.5Å; L165-V169 PolarHBondContact O-N 3.44Å; L165-L179 HydrophobicContact CD2-CD2 4.25Å; L165-L179 HydrophobicContact CG-CD2 4.22Å
166	D	95.3	Very high	93.8	Very high	48 Å²	48	76.2 Å²	76.2	26%	0.257	37%	0.374	S	S	.	.	H	α-helix	trans	-56.9	-45.3	175.7	-83.7	5.3	0	0	0	111.3	K162 R170 L179 R181	K162-D166 PolarHBondContact O-N 3.28Å; D166-R170 VanDerWaalsContact O-CB 3.25Å; D166-R170 WeakPolarHBondContact O-CB 3.18Å; D166-R170 PolarHBondContact O-N 2.95Å; D166-L179 WeakPolarHBondContact OD1-CD2 3.43Å; D166-R181 IonicContact OD1-CZ 3.83Å; D166-R181 VanDerWaalsContact OD1-CZ 3.27Å; D166-R181 IonicContact OD1-NE 3.32Å; D166-R181 PolarHBondContact OD1-NE 2.76Å; D166-R181 IonicContact OD1-NH2 3.28Å; D166-R181 PolarHBondContact OD1-NH2 2.84Å; D166-R181 IonicContact OD2-NE 2.87Å; D166-R181 IonicContact OD2-NH2 2.9Å
167	R	96.3	Very high	93.8	Very high	137 Å²	137	77 Å²	77	52%	0.517	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-48.3	177.3	-165.1	-171.6	-39.5	113.7	9.2	110.7	D163 E164 L165 V169 R170 T171	D163-R167 VanDerWaalsContact O-CB 3.32Å; D163-R167 WeakPolarHBondContact O-CB 3.41Å; D163-R167 PolarHBondContact O-N 2.88Å; E164-R167 PolarHBondContact O-N 3.46Å; L165-R167 VanDerWaalsContact C-N 3.28Å; L165-R167 PolarHBondContact O-N 2.9Å; R167-V169 PolarHBondContact O-N 3.37Å; R167-R170 CarbonylContact O-C 3.54Å; R167-R170 PolarHBondContact O-N 3.35Å; R167-R170 VanDerWaalsContact O-N 3.15Å; R167-T171 HydrophobicContact CG-CG2 4.34Å; R167-T171 WeakPolarHBondContact O-CG2 3.45Å; R167-T171 PolarHBondContact O-N 3.13Å; R167-T171 PolarHBondContact O-OG1 3.36Å; R167-T171 VanDerWaalsContact O-OG1 3.12Å
168	Y	96.3	Very high	93.9	Very high	53 Å²	53	75 Å²	75	21%	0.208	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-46.6	-179.3	-170.8	-88.2	0	0	0	112.1	F92 L131 H135 E164 L165 R170 T171 E172 L173	F92-Y168 WeakPolarHBondContact CD2-OH 3.43Å; F92-Y168 HydrophobicContact CE2-CE2 4.08Å; F92-Y168 AromaticContact CE2-CZ 3.84Å; F92-Y168 WeakPolarHBondContact CE2-OH 3.5Å; L131-Y168 HydrophobicContact CD1-CD1 3.94Å; L131-Y168 HydrophobicContact CD1-CE1 3.82Å; L131-Y168 HydrophobicContact CD1-CE2 4.42Å; L131-Y168 HydrophobicContact CD1-CG 4.32Å; L131-Y168 HydrophobicContact CD2-CD1 3.64Å; L131-Y168 HydrophobicContact CD2-CE1 3.62Å; L131-Y168 HydrophobicContact CG-CD1 4.45Å; L131-Y168 HydrophobicContact CG-CE1 4.27Å; H135-Y168 AromaticContact NE2-CE1 3.9Å; H135-Y168 AromaticContact NE2-CZ 3.83Å; H135-Y168 PolarHBondContact NE2-OH 2.85Å; E164-Y168 WeakPolarHBondContact O-CB 3.47Å; E164-Y168 PolarHBondContact O-N 2.85Å; L165-Y168 PolarHBondContact O-N 3.36Å; Y168-R170 VanDerWaalsContact C-N 3.28Å; Y168-R170 PolarHBondContact O-N 2.87Å; Y168-T171 PolarHBondContact O-N 3.21Å; Y168-E172 HydrophobicContact CD1-CB 4.28Å; Y168-E172 HydrophobicContact CD2-CB 4.23Å; Y168-E172 HydrophobicContact CD2-CG 3.67Å; Y168-E172 HydrophobicContact CE1-CB 3.98Å; Y168-E172 HydrophobicContact CE1-CG 4.46Å; Y168-E172 HydrophobicContact CE2-CB 3.94Å; Y168-E172 HydrophobicContact CE2-CG 3.54Å; Y168-E172 HydrophobicContact CG-CB 4.38Å; Y168-E172 HydrophobicContact CG-CG 4.19Å; Y168-E172 WeakPolarHBondContact O-CA 3.48Å; Y168-E172 WeakPolarHBondContact O-CB 3.15Å; Y168-E172 PolarHBondContact O-N 2.96Å; Y168-L173 HydrophobicContact CD1-CD1 3.97Å; Y168-L173 HydrophobicContact CD1-CG 4.01Å; Y168-L173 HydrophobicContact CE1-CD1 3.93Å; Y168-L173 HydrophobicContact CE1-CD2 3.99Å; Y168-L173 HydrophobicContact CE1-CG 3.78Å; Y168-L173 PolarHBondContact O-N 3.38Å
169	V	96.1	Very high	94	Very high	13 Å²	13	75.3 Å²	75.3	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-60	-42.2	175.9	174.1	0	0	0	0	110.5	L151 L165 R167 L173 V177 L179	L151-V169 HydrophobicContact CD1-CG2 4.18Å; L165-V169 HydrophobicContact CD1-CG2 4.04Å; L165-V169 HydrophobicContact CG-CG2 4.25Å; L165-V169 WeakPolarHBondContact O-CB 3.34Å; L165-V169 VanDerWaalsContact O-CG2 3.28Å; L165-V169 WeakPolarHBondContact O-CG2 3.5Å; L165-V169 PolarHBondContact O-N 3.44Å; R167-V169 PolarHBondContact O-N 3.37Å; V169-L173 HydrophobicContact CG2-CD1 4.2Å; V169-L173 CarbonylContact O-C 3.45Å; V169-L173 PolarHBondContact O-N 3.19Å; V169-V177 HydrophobicContact CG1-CB 4.47Å; V169-V177 HydrophobicContact CG1-CG1 4.17Å; V169-L179 HydrophobicContact CG1-CB 4.36Å; V169-L179 HydrophobicContact CG2-CD2 4.45Å
170	R	94.3	Very high	94.1	Very high	169 Å²	169	69 Å²	69	64%	0.638	34%	0.339	S	S	*	.	H	α-helix	trans	-72.4	-32.3	-179.2	-170.1	-175.8	-57.8	139.2	7.1	113.5	D166 R167 Y168 Q174	D166-R170 VanDerWaalsContact O-CB 3.25Å; D166-R170 WeakPolarHBondContact O-CB 3.18Å; D166-R170 PolarHBondContact O-N 2.95Å; R167-R170 CarbonylContact O-C 3.54Å; R167-R170 PolarHBondContact O-N 3.35Å; R167-R170 VanDerWaalsContact O-N 3.15Å; Y168-R170 VanDerWaalsContact C-N 3.28Å; Y168-R170 PolarHBondContact O-N 2.87Å; R170-Q174 VanDerWaalsContact O-CD 3.25Å; R170-Q174 WeakPolarHBondContact O-CG 3.18Å; R170-Q174 PolarHBondContact O-NE2 3.24Å
171	T	93.8	Very high	94.3	Very high	69 Å²	69	68.9 Å²	68.9	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-98.4	-43.1	-175.5	63.1	0	0	0	0	112.6	R167 Y168	R167-T171 HydrophobicContact CG-CG2 4.34Å; R167-T171 WeakPolarHBondContact O-CG2 3.45Å; R167-T171 PolarHBondContact O-N 3.13Å; R167-T171 PolarHBondContact O-OG1 3.36Å; R167-T171 VanDerWaalsContact O-OG1 3.12Å; Y168-T171 PolarHBondContact O-N 3.21Å
172	E	94.2	Very high	94.4	Very high	123 Å²	123	69.5 Å²	69.5	58%	0.575	34%	0.338	S	S	*	.	H	α-helix	trans	-99.4	-26.8	-170.6	-50.9	-50.4	126.8	0	0	113.5	Y168	Y168-E172 HydrophobicContact CD1-CB 4.28Å; Y168-E172 HydrophobicContact CD2-CB 4.23Å; Y168-E172 HydrophobicContact CD2-CG 3.67Å; Y168-E172 HydrophobicContact CE1-CB 3.98Å; Y168-E172 HydrophobicContact CE1-CG 4.46Å; Y168-E172 HydrophobicContact CE2-CB 3.94Å; Y168-E172 HydrophobicContact CE2-CG 3.54Å; Y168-E172 HydrophobicContact CG-CB 4.38Å; Y168-E172 HydrophobicContact CG-CG 4.19Å; Y168-E172 WeakPolarHBondContact O-CA 3.48Å; Y168-E172 WeakPolarHBondContact O-CB 3.15Å; Y168-E172 PolarHBondContact O-N 2.96Å
173	L	92.9	Very high	94.3	Very high	6 Å²	6	78.5 Å²	78.5	3%	0.031	37%	0.37	C	S	.	.	S	Bend	trans	-109	23.2	-174.5	-55.4	-179	0	0	0	113.8	L131 V134 H135 L138 Y168 V169 V177	L131-L173 HydrophobicContact CD2-CD1 4.27Å; V134-L173 HydrophobicContact CG1-CD1 3.87Å; V134-L173 HydrophobicContact CG1-CD2 4.46Å; H135-L173 WeakPolarHBondContact CE1-CD2 3.4Å; L138-L173 HydrophobicContact CD1-CD2 3.89Å; Y168-L173 HydrophobicContact CD1-CD1 3.97Å; Y168-L173 HydrophobicContact CD1-CG 4.01Å; Y168-L173 HydrophobicContact CE1-CD1 3.93Å; Y168-L173 HydrophobicContact CE1-CD2 3.99Å; Y168-L173 HydrophobicContact CE1-CG 3.78Å; Y168-L173 PolarHBondContact O-N 3.38Å; V169-L173 HydrophobicContact CG2-CD1 4.2Å; V169-L173 CarbonylContact O-C 3.45Å; V169-L173 PolarHBondContact O-N 3.19Å; L173-V177 HydrophobicContact CB-CB 3.91Å; L173-V177 HydrophobicContact CB-CG1 4.49Å; L173-V177 HydrophobicContact CB-CG2 3.8Å; L173-V177 HydrophobicContact CD1-CG1 4.29Å; L173-V177 HydrophobicContact CD1-CG2 4.4Å
174	Q	76.8	Confident	94.3	Very high	144 Å²	144	78.3 Å²	78.3	67%	0.673	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	148.6	-176	-67.2	-175.8	2.5	0	0	112.7	R170	R170-Q174 VanDerWaalsContact O-CD 3.25Å; R170-Q174 WeakPolarHBondContact O-CG 3.18Å; R170-Q174 PolarHBondContact O-NE2 3.24Å
175	G	83.4	Confident	94.2	Very high	82 Å²	82	75.9 Å²	75.9	85%	0.845	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	-31.7	167	0	0	0	0	0	115.9
176	K	91.1	Very high	94.1	Very high	66 Å²	66	77.6 Å²	77.6	29%	0.287	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-12.5	179.6	-67.8	-167.6	176.7	-169	0	116	A143 L146 E148 V149	A143-K176 PolarHBondContact O-NZ 3.35Å; L146-K176 HydrophobicContact CD2-CD 4.4Å; L146-K176 HydrophobicContact CG-CD 4.39Å; L146-K176 WeakPolarHBondContact O-CE 3.14Å; L146-K176 PolarHBondContact O-NZ 3.38Å; E148-K176 CarbonylContact C-O 3.59Å; E148-K176 VanDerWaalsContact CA-O 3.31Å; E148-K176 WeakPolarHBondContact CA-O 3.27Å; V149-K176 PolarHBondContact N-O 2.88Å
177	V	97.6	Very high	94.1	Very high	19 Å²	19	75.4 Å²	75.4	12%	0.115	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.7	-177.8	-170.6	0	0	0	0	110.4	V134 L138 V149 L151 V169 L173	V134-V177 HydrophobicContact CG1-CG1 4.44Å; V134-V177 HydrophobicContact CG1-CG2 4.04Å; L138-V177 HydrophobicContact CD1-CG2 4.09Å; L138-V177 HydrophobicContact CD2-CG2 4.21Å; V149-V177 HydrophobicContact CB-CG1 4.4Å; V149-V177 HydrophobicContact CB-CG2 4.15Å; V149-V177 CarbonylContact O-C 3.49Å; V149-V177 WeakPolarHBondContact O-CA 3Å; L151-V177 HydrophobicContact CD1-CG1 3.82Å; L151-V177 HydrophobicContact CG-CG1 3.88Å; V169-V177 HydrophobicContact CG1-CB 4.47Å; V169-V177 HydrophobicContact CG1-CG1 4.17Å; L173-V177 HydrophobicContact CB-CB 3.91Å; L173-V177 HydrophobicContact CB-CG1 4.49Å; L173-V177 HydrophobicContact CB-CG2 3.8Å; L173-V177 HydrophobicContact CD1-CG1 4.29Å; L173-V177 HydrophobicContact CD1-CG2 4.4Å
178	R	96.4	Very high	93.9	Very high	92 Å²	92	70.7 Å²	70.7	35%	0.347	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.1	173.7	-178.1	175	55.7	-178.8	-15	109.9	E148 V149 I150 L151 H198	E148-R178 IonicContact OE2-CZ 3.61Å; E148-R178 IonicContact OE2-NE 3.55Å; E148-R178 IonicContact OE2-NH2 2.83Å; E148-R178 PolarHBondContact OE2-NH2 2.97Å; V149-R178 PolarHBondContact O-N 3.16Å; I150-R178 CarbonylContact C-O 3.36Å; I150-R178 WeakPolarHBondContact CA-O 3.32Å; L151-R178 PolarHBondContact N-O 3.06Å; R178-H198 VanDerWaalsContact NH2-C 3.35Å; R178-H198 PolarHBondContact NH2-O 2.79Å
179	L	97.9	Very high	93.9	Very high	36 Å²	36	68.2 Å²	68.2	19%	0.188	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.9	173.6	179.7	59.8	0	0	0	110.3	F122 L151 D153 L165 D166 V169 R181	F122-L179 HydrophobicContact CE1-CD1 3.87Å; F122-L179 HydrophobicContact CZ-CD1 3.96Å; L151-L179 HydrophobicContact CB-CD1 3.76Å; L151-L179 CarbonylContact O-C 3.2Å; L151-L179 WeakPolarHBondContact O-CA 3.21Å; D153-L179 HydrophobicContact CB-CD1 4.33Å; L165-L179 HydrophobicContact CD2-CD2 4.25Å; L165-L179 HydrophobicContact CG-CD2 4.22Å; D166-L179 WeakPolarHBondContact OD1-CD2 3.43Å; V169-L179 HydrophobicContact CG1-CB 4.36Å; V169-L179 HydrophobicContact CG2-CD2 4.45Å; L179-R181 HydrophobicContact CG-CG 4.41Å
180	V	98.1	Very high	93.9	Very high	17 Å²	17	70.2 Å²	70.2	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.6	176	178.4	0	0	0	0	107.3	I150 L151 V152 D153 I194 H198	I150-V180 HydrophobicContact CG2-CG2 3.95Å; L151-V180 PolarHBondContact O-N 3.3Å; V152-V180 WeakPolarHBondContact CA-O 3.35Å; D153-V180 PolarHBondContact N-O 2.75Å; V180-I194 HydrophobicContact CG1-CG2 4.04Å; V180-H198 HydrophobicContact CG2-CB 4.5Å
181	R	98	Very high	94.1	Very high	76 Å²	76	62.1 Å²	62.1	29%	0.287	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.2	-179.5	-64.7	-170.6	175.7	-90.1	5.2	111.4	D153 L161 K162 D166 L179	D153-R181 HydrophobicContact CB-CG 4.15Å; D153-R181 IonicContact OD2-CZ 3.92Å; D153-R181 IonicContact OD2-NH1 3.37Å; D153-R181 PolarHBondContact OD2-NH1 2.82Å; L161-R181 VanDerWaalsContact O-CZ 3.32Å; L161-R181 PolarHBondContact O-NH1 2.94Å; L161-R181 PolarHBondContact O-NH2 3.32Å; K162-R181 PolarHBondContact O-NH2 2.77Å; D166-R181 IonicContact OD1-CZ 3.83Å; D166-R181 VanDerWaalsContact OD1-CZ 3.27Å; D166-R181 IonicContact OD1-NE 3.32Å; D166-R181 PolarHBondContact OD1-NE 2.76Å; D166-R181 IonicContact OD1-NH2 3.28Å; D166-R181 PolarHBondContact OD1-NH2 2.84Å; D166-R181 IonicContact OD2-NE 2.87Å; D166-R181 IonicContact OD2-NH2 2.9Å; L179-R181 HydrophobicContact CG-CG 4.41Å
182	N	97.6	Very high	94.3	Very high	15 Å²	15	59 Å²	59	8%	0.08	28%	0.28	C	S	.	.			trans	-75.1	142.8	173.8	-67.8	-8.8	0	0	0	110.8	D153 D154 H155 Q184 E186 I194	D153-N182 WeakPolarHBondContact O-CB 3.47Å; D153-N182 PolarHBondContact O-N 2.62Å; D154-N182 PolarHBondContact OD1-ND2 2.91Å; H155-N182 PolarHBondContact ND1-O 2.99Å; N182-Q184 VanDerWaalsContact C-N 3.28Å; N182-Q184 VanDerWaalsContact CB-O 3.29Å; N182-Q184 WeakPolarHBondContact CB-O 3.25Å; N182-Q184 PolarHBondContact O-N 2.66Å; N182-E186 HydrophobicContact CB-CG 4.39Å; N182-I194 WeakPolarHBondContact OD1-CD1 3.17Å
183	R	96	Very high	94.5	Very high	242 Å²	242	54.5 Å²	54.5	91%	0.913	26%	0.258	S	S	*	.	S	Bend	trans	-73.8	-22.6	178	-65.4	-177	-179.4	177.9	0.1	113	H155	H155-R183 PolarHBondContact CE1-O 3.47Å; H155-R183 PolarHBondContact ND1-O 3.32Å
184	Q	95	Very high	94.7	Very high	118 Å²	118	56.3 Å²	56.3	55%	0.551	27%	0.268	S	S	*	.	S	Bend	trans	-147	167.3	179.4	64.7	-176.3	8.5	0	0	109	H155 N182 E186	H155-Q184 VanDerWaalsContact CB-C 3.41Å; N182-Q184 VanDerWaalsContact C-N 3.28Å; N182-Q184 VanDerWaalsContact CB-O 3.29Å; N182-Q184 WeakPolarHBondContact CB-O 3.25Å; N182-Q184 PolarHBondContact O-N 2.66Å; Q184-E186 HydrophobicContact CG-CG 4.33Å; Q184-E186 VanDerWaalsContact CG-OE1 3.23Å; Q184-E186 WeakPolarHBondContact CG-OE1 3.37Å; Q184-E186 PolarHBondContact NE2-OE1 3.02Å; Q184-E186 PolarHBondContact O-N 3.04Å
185	R	94.6	Very high	95.7	Very high	61 Å²	61	49.5 Å²	49.5	23%	0.23	24%	0.236	C	C	.	.			trans	-76	103.1	177.2	-171.2	173.4	-179.9	-137.8	-5.7	110.5	F123 H155 G350 P352	F123-R185 HydrophobicContact CE2-CG 4.39Å; H155-R185 HydrophobicContact CB-CB 4.32Å; R185-G350 VanDerWaalsContact CZ-O 3.29Å; R185-G350 PolarHBondContact NH1-O 3.34Å; R185-G350 PolarHBondContact NH2-O 3.04Å; R185-P352 VanDerWaalsContact NH1-CD 3.31Å
186	E	95.1	Very high	96.5	Very high	44 Å²	44	45.6 Å²	45.6	21%	0.206	20%	0.196	C	C	.	.			trans	-87.6	-27.1	-175.3	-68.6	-67.5	167.7	0	0	112.5	D154 N182 Q184 R190 I194	D154-E186 WeakPolarHBondContact OD1-CA 3.38Å; D154-E186 WeakPolarHBondContact OD1-CB 3.31Å; D154-E186 PolarHBondContact OD1-N 3.23Å; N182-E186 HydrophobicContact CB-CG 4.39Å; Q184-E186 HydrophobicContact CG-CG 4.33Å; Q184-E186 VanDerWaalsContact CG-OE1 3.23Å; Q184-E186 WeakPolarHBondContact CG-OE1 3.37Å; Q184-E186 PolarHBondContact NE2-OE1 3.02Å; Q184-E186 PolarHBondContact O-N 3.04Å; E186-R190 HydrophobicContact CB-CB 3.75Å; E186-R190 PolarHBondContact O-NH1 2.79Å; E186-R190 VanDerWaalsContact OE2-CD 3.27Å; E186-R190 WeakPolarHBondContact OE2-CD 3.03Å; E186-I194 HydrophobicContact CB-CD1 4.46Å; E186-I194 HydrophobicContact CG-CD1 4Å
187	G	93.8	Very high	96.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	95	165.9	-173.8	0	0	0	0	0	113.4	D154 I189 R190 G191	D154-G187 PolarHBondContact OD1-N 3.2Å; D154-G187 WeakPolarHBondContact OD2-CA 3.25Å; D154-G187 PolarHBondContact OD2-N 3.48Å; G187-I189 VanDerWaalsContact C-N 3.26Å; G187-I189 PolarHBondContact O-N 2.73Å; G187-R190 PolarHBondContact O-N 2.8Å; G187-G191 PolarHBondContact O-N 2.84Å
188	L	93.6	Very high	96.8	Very high	38 Å²	38	48.5 Å²	48.5	20%	0.199	22%	0.221	C	C	.	.	H	α-helix	trans	-54.9	-43.4	-177.7	178.3	64.5	0	0	0	112.1	C121 R192 I312	C121-L188 HydrophobicContact CB-CD1 4.26Å; L188-R192 HydrophobicContact CD1-CG 4.4Å; L188-R192 WeakPolarHBondContact O-CB 3.36Å; L188-R192 VanDerWaalsContact O-CG 3.31Å; L188-R192 WeakPolarHBondContact O-CG 3.49Å; L188-R192 PolarHBondContact O-N 3.39Å; L188-I312 VanDerWaalsContact CB-O 3.3Å; L188-I312 WeakPolarHBondContact CB-O 3.34Å; L188-I312 PolarHBondContact N-O 2.8Å
189	I	95.3	Very high	96.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-53.9	-172.7	-54.9	173.1	0	0	0	110.4	G187 R192 M193 Y306 M310 E316	G187-I189 VanDerWaalsContact C-N 3.26Å; G187-I189 PolarHBondContact O-N 2.73Å; I189-R192 PolarHBondContact O-N 3.27Å; I189-M193 PolarHBondContact O-N 2.88Å; I189-Y306 VanDerWaalsContact CG2-CB 3.45Å; I189-Y306 HydrophobicContact CG2-CD1 4.36Å; I189-Y306 HydrophobicContact CG2-CD2 4.36Å; I189-Y306 HydrophobicContact CG2-CG 3.85Å; I189-M310 HydrophobicContact CD1-CB 3.31Å; I189-M310 HydrophobicContact CD1-CG 4.33Å; I189-M310 HydrophobicContact CD1-SD 4.14Å; I189-E316 HydrophobicContact CD1-CB 3.74Å; I189-E316 HydrophobicContact CD1-CG 4.31Å; I189-E316 HydrophobicContact CG1-CB 3.84Å; I189-E316 HydrophobicContact CG1-CG 3.97Å
190	R	97	Very high	97	Very high	55 Å²	55	46.8 Å²	46.8	21%	0.208	22%	0.222	C	C	.	.	H	α-helix	trans	-70.4	-36.7	178.7	-68.2	-179.3	-165.6	115.5	3.1	111.6	E186 G187 R192 M193 I194 G308 M310 D311	E186-R190 HydrophobicContact CB-CB 3.75Å; E186-R190 PolarHBondContact O-NH1 2.79Å; E186-R190 VanDerWaalsContact OE2-CD 3.27Å; E186-R190 WeakPolarHBondContact OE2-CD 3.03Å; G187-R190 PolarHBondContact O-N 2.8Å; R190-R192 VanDerWaalsContact C-N 3.3Å; R190-R192 PolarHBondContact O-N 2.85Å; R190-M193 HydrophobicContact CB-CE 4.23Å; R190-M193 HydrophobicContact CG-CE 3.79Å; R190-M193 PolarHBondContact O-N 3.11Å; R190-M193 VanDerWaalsContact O-N 3.13Å; R190-I194 VanDerWaalsContact O-CG1 3.31Å; R190-I194 WeakPolarHBondContact O-CG1 3.11Å; R190-I194 PolarHBondContact O-N 3.41Å; R190-G308 PolarHBondContact NE-O 2.65Å; R190-G308 PolarHBondContact NH2-O 3.26Å; R190-M310 PolarHBondContact NH2-O 2.94Å; R190-D311 IonicContact CZ-OD1 3.26Å; R190-D311 IonicContact NH1-OD1 3.57Å; R190-D311 PolarHBondContact NH1-OD1 3.4Å; R190-D311 IonicContact NH2-OD1 3.27Å; R190-D311 PolarHBondContact NH2-OD1 2.77Å
191	G	97.3	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.3	-43.4	171.9	0	0	0	0	0	112.5	C121 G187 I194 G195	C121-G191 PolarHBondContact SG-O 3.12Å; G187-G191 PolarHBondContact O-N 2.84Å; G191-I194 PolarHBondContact O-N 3.46Å; G191-G195 PolarHBondContact O-N 2.82Å
192	R	97.9	Very high	97	Very high	4 Å²	4	48 Å²	48	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-40.1	175.5	-75.5	177.7	178.6	-170.1	-3.3	112.7	C121 L188 I189 R190 G195 A196 F206 D208 G290 G291 Y306	C121-R192 VanDerWaalsContact SG-CA 3.57Å; C121-R192 VanDerWaalsContact SG-CG 3.59Å; C121-R192 PolarHBondContact SG-N 2.83Å; C121-R192 VanDerWaalsContact SG-N 3.36Å; L188-R192 HydrophobicContact CD1-CG 4.4Å; L188-R192 WeakPolarHBondContact O-CB 3.36Å; L188-R192 VanDerWaalsContact O-CG 3.31Å; L188-R192 WeakPolarHBondContact O-CG 3.49Å; L188-R192 PolarHBondContact O-N 3.39Å; I189-R192 PolarHBondContact O-N 3.27Å; R190-R192 VanDerWaalsContact C-N 3.3Å; R190-R192 PolarHBondContact O-N 2.85Å; R192-G195 PolarHBondContact O-N 3.47Å; R192-A196 WeakPolarHBondContact O-CB 3.31Å; R192-A196 PolarHBondContact O-N 2.69Å; R192-F206 HydrophobicContact CB-CD1 4.07Å; R192-F206 HydrophobicContact CB-CE1 3.74Å; R192-F206 HydrophobicContact CG-CD1 3.83Å; R192-F206 HydrophobicContact CG-CE1 4.04Å; R192-D208 IonicContact NH2-OD1 3.31Å; R192-D208 PolarHBondContact NH2-OD1 3.36Å; R192-G290 PolarHBondContact NH1-O 3.05Å; R192-G290 PolarHBondContact NH2-O 2.47Å; R192-G291 VanDerWaalsContact NH2-CA 3.27Å; R192-G291 PolarHBondContact NH2-O 2.73Å; R192-Y306 HydrophobicContact CB-CD2 4.48Å; R192-Y306 HydrophobicContact CB-CE2 4.18Å; R192-Y306 PolarHBondContact NH1-OH 3.19Å
193	M	98.3	Very high	97.1	Very high	27 Å²	27	47.4 Å²	47.4	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-40.2	174.9	-67.1	-168.8	-65.5	0	0	112	I189 R190 A196 A197 F300 Q305 Y306	I189-M193 PolarHBondContact O-N 2.88Å; R190-M193 HydrophobicContact CB-CE 4.23Å; R190-M193 HydrophobicContact CG-CE 3.79Å; R190-M193 PolarHBondContact O-N 3.11Å; R190-M193 VanDerWaalsContact O-N 3.13Å; M193-A196 PolarHBondContact O-N 3.09Å; M193-A197 WeakPolarHBondContact O-CB 3.34Å; M193-A197 PolarHBondContact O-N 3.24Å; M193-F300 HydrophobicContact CG-CZ 4.47Å; M193-Q305 HydrophobicContact CG-CB 4.13Å; M193-Q305 HydrophobicContact SD-CB 3.87Å; M193-Y306 HydrophobicContact CG-CD2 4.22Å
194	I	98.5	Very high	97.2	Very high	45 Å²	45	35.9 Å²	35.9	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-48.6	174.4	-69.1	164.3	0	0	0	110	V152 V180 N182 E186 R190 G191 A196 A197 H198	V152-I194 HydrophobicContact CG1-CG2 4.3Å; V180-I194 HydrophobicContact CG1-CG2 4.04Å; N182-I194 WeakPolarHBondContact OD1-CD1 3.17Å; E186-I194 HydrophobicContact CB-CD1 4.46Å; E186-I194 HydrophobicContact CG-CD1 4Å; R190-I194 VanDerWaalsContact O-CG1 3.31Å; R190-I194 WeakPolarHBondContact O-CG1 3.11Å; R190-I194 PolarHBondContact O-N 3.41Å; G191-I194 PolarHBondContact O-N 3.46Å; I194-A196 VanDerWaalsContact C-N 3.34Å; I194-A196 PolarHBondContact O-N 2.95Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.3Å; I194-H198 PolarHBondContact O-CD2 2.63Å; I194-H198 VanDerWaalsContact O-CD2 3.24Å; I194-H198 PolarHBondContact O-N 2.95Å; I194-H198 VanDerWaalsContact O-N 3.12Å
195	G	98.4	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.2	-43.1	175.8	0	0	0	0	0	112.9	G191 R192 A197 H198 A199	G191-G195 PolarHBondContact O-N 2.82Å; R192-G195 PolarHBondContact O-N 3.47Å; G195-A197 VanDerWaalsContact C-N 3.34Å; G195-A197 PolarHBondContact O-N 3.26Å; G195-H198 PolarHBondContact O-N 2.85Å; G195-A199 PolarHBondContact O-N 2.88Å; G195-A199 VanDerWaalsContact O-N 3.08Å
196	A	98.5	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-36.6	175.8	0	0	0	0	0	113	R192 M193 I194 H198 A199 L204 F206 F300 F301	R192-A196 WeakPolarHBondContact O-CB 3.31Å; R192-A196 PolarHBondContact O-N 2.69Å; M193-A196 PolarHBondContact O-N 3.09Å; I194-A196 VanDerWaalsContact C-N 3.34Å; I194-A196 PolarHBondContact O-N 2.95Å; A196-H198 VanDerWaalsContact C-N 3.29Å; A196-H198 PolarHBondContact O-N 3.39Å; A196-A199 WeakPolarHBondContact O-CB 3.31Å; A196-A199 PolarHBondContact O-N 2.82Å; A196-L204 HydrophobicContact CB-CD1 3.78Å; A196-L204 HydrophobicContact CB-CD2 4.39Å; A196-F206 HydrophobicContact CB-CZ 4.16Å; A196-F300 HydrophobicContact CB-CD1 4.09Å; A196-F300 HydrophobicContact CB-CE1 3.63Å; A196-F300 HydrophobicContact CB-CZ 4.43Å; A196-F301 HydrophobicContact CB-CZ 4.38Å
197	A	98.4	Very high	97.8	Very high	70 Å²	70	25.4 Å²	25.4	58%	0.579	14%	0.139	S	C	*	.	H	α-helix	trans	-67.3	-31.1	176.2	0	0	0	0	0	112.5	M193 I194 G195	M193-A197 WeakPolarHBondContact O-CB 3.34Å; M193-A197 PolarHBondContact O-N 3.24Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.3Å; G195-A197 VanDerWaalsContact C-N 3.34Å; G195-A197 PolarHBondContact O-N 3.26Å
198	H	98.3	Very high	98	Very high	77 Å²	77	26.7 Å²	26.7	36%	0.356	15%	0.145	S	C	.	.	H	α-helix	trans	-78.8	-24.1	174.2	-81.3	-71.2	0	0	0	113.2	I150 R178 V180 I194 G195 A196	I150-H198 HydrophobicContact CD1-CB 4.21Å; R178-H198 VanDerWaalsContact NH2-C 3.35Å; R178-H198 PolarHBondContact NH2-O 2.79Å; V180-H198 HydrophobicContact CG2-CB 4.5Å; I194-H198 PolarHBondContact O-CD2 2.63Å; I194-H198 VanDerWaalsContact O-CD2 3.24Å; I194-H198 PolarHBondContact O-N 2.95Å; I194-H198 VanDerWaalsContact O-N 3.12Å; G195-H198 PolarHBondContact O-N 2.85Å; A196-H198 VanDerWaalsContact C-N 3.29Å; A196-H198 PolarHBondContact O-N 3.39Å
199	A	98.5	Very high	98.2	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.025	14%	0.138	C	C	.	.			trans	-69.3	137.8	-175.4	0	0	0	0	0	114.3	I150 G195 A196 L204 R297	I150-A199 VanDerWaalsContact CD1-CA 3.44Å; I150-A199 HydrophobicContact CD1-CB 3.67Å; G195-A199 PolarHBondContact O-N 2.88Å; G195-A199 VanDerWaalsContact O-N 3.08Å; A196-A199 WeakPolarHBondContact O-CB 3.31Å; A196-A199 PolarHBondContact O-N 2.82Å; A199-L204 HydrophobicContact CB-CD2 3.39Å; A199-R297 WeakPolarHBondContact O-CD 3.43Å
200	T	98.3	Very high	98.3	Very high	88 Å²	88	26.3 Å²	26.3	54%	0.54	14%	0.143	S	C	.	.			trans	-117.8	-9.6	-177.5	57.2	0	0	0	0	114.3	H147 E148	H147-T200 PolarHBondContact CD2-OG1 3.31Å; H147-T200 PolarHBondContact NE2-OG1 2.99Å; E148-T200 PolarHBondContact OE1-N 3.39Å; E148-T200 PolarHBondContact OE1-OG1 3.12Å
201	G	98.1	Very high	98.4	Very high	4 Å²	4	23.8 Å²	23.8	4%	0.041	13%	0.134	C	C	.	.	S	Bend	trans	-64.9	167	172.9	0	0	0	0	0	113.1	S117 H147 R297	S117-G201 WeakPolarHBondContact OG-CA 3.5Å; S117-G201 PolarHBondContact OG-N 2.62Å; H147-G201 PolarHBondContact CD2-N 3.11Å; H147-G201 VanDerWaalsContact CD2-N 3.32Å; G201-R297 VanDerWaalsContact O-CD 3.25Å; G201-R297 WeakPolarHBondContact O-CD 3.34Å; G201-R297 PolarHBondContact O-NE 2.85Å
202	E	98.7	Very high	98.5	Very high	115 Å²	115	24 Å²	24	54%	0.537	14%	0.135	S	C	.	.	S	Bend	trans	-76.1	-37.2	179.4	-65.6	176.4	-85.2	0	0	111.5	P114 A115 R297	P114-E202 WeakPolarHBondContact CA-OE1 3.43Å; P114-E202 HydrophobicContact CB-CB 3.92Å; A115-E202 PolarHBondContact N-OE1 2.95Å; A115-E202 PolarHBondContact O-N 2.88Å; E202-R297 VanDerWaalsContact O-CB 3.28Å; E202-R297 WeakPolarHBondContact O-CB 3.44Å; E202-R297 PolarHBondContact O-N 2.73Å
203	V	98.9	Very high	98.5	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.4	178.3	178.8	0	0	0	0	110.1	P114 A115 A116 S117 V205 L222 V225 A294 M295	P114-V203 HydrophobicContact CB-CG2 3.92Å; P114-V203 HydrophobicContact CG-CG2 3.67Å; A115-V203 PolarHBondContact O-N 3.19Å; A115-V203 VanDerWaalsContact O-N 3.09Å; A116-V203 CarbonylContact C-O 3.54Å; A116-V203 VanDerWaalsContact CA-O 3.31Å; A116-V203 WeakPolarHBondContact CA-O 3.48Å; S117-V203 PolarHBondContact N-O 3.49Å; V203-V205 HydrophobicContact CG1-CG2 4.21Å; V203-L222 HydrophobicContact CB-CD2 3.85Å; V203-L222 HydrophobicContact CG1-CD2 3.7Å; V203-L222 HydrophobicContact CG2-CD2 4.01Å; V203-V225 HydrophobicContact CG1-CG1 4.48Å; V203-V225 HydrophobicContact CG2-CG1 3.79Å; V203-A294 HydrophobicContact CG1-CB 4.16Å; V203-M295 WeakPolarHBondContact CG1-O 3.45Å
204	L	98.9	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.5	167.4	-62.6	174.8	0	0	0	108.9	A196 A199 F206 A294 M295 R297 F300	A196-L204 HydrophobicContact CB-CD1 3.78Å; A196-L204 HydrophobicContact CB-CD2 4.39Å; A199-L204 HydrophobicContact CB-CD2 3.39Å; L204-F206 HydrophobicContact CB-CE2 3.9Å; L204-F206 HydrophobicContact CB-CZ 4.29Å; L204-F206 HydrophobicContact CD1-CE2 4.19Å; L204-F206 HydrophobicContact CD1-CZ 4.05Å; L204-A294 CarbonylContact O-C 3.57Å; L204-A294 VanDerWaalsContact O-CA 3.23Å; L204-A294 WeakPolarHBondContact O-CA 3.33Å; L204-M295 PolarHBondContact N-O 2.95Å; L204-M295 PolarHBondContact O-N 2.99Å; L204-R297 HydrophobicContact CD1-CB 4.35Å; L204-R297 HydrophobicContact CD1-CG 4.05Å; L204-R297 HydrophobicContact CD2-CB 4.35Å; L204-R297 HydrophobicContact CD2-CG 3.96Å; L204-R297 HydrophobicContact CG-CB 3.88Å; L204-R297 HydrophobicContact CG-CG 3.86Å; L204-F300 HydrophobicContact CD1-CB 3.9Å; L204-F300 HydrophobicContact CD1-CD1 3.69Å; L204-F300 HydrophobicContact CD1-CE1 4.38Å; L204-F300 HydrophobicContact CD1-CG 3.81Å
205	V	98.9	Very high	98.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.1	170.7	-177.2	0	0	0	0	108.4	A116 S117 V118 V119 V203 W217 L218 F293 A294	A116-V205 HydrophobicContact CB-CG2 3.96Å; S117-V205 PolarHBondContact O-N 3.16Å; V118-V205 CarbonylContact C-O 3.5Å; V118-V205 VanDerWaalsContact CA-O 3.25Å; V118-V205 WeakPolarHBondContact CA-O 3.39Å; V118-V205 HydrophobicContact CG2-CB 4.2Å; V119-V205 PolarHBondContact N-O 3.17Å; V203-V205 HydrophobicContact CG1-CG2 4.21Å; V205-W217 HydrophobicContact CG1-CH2 3.7Å; V205-W217 HydrophobicContact CG1-CZ3 3.78Å; V205-L218 HydrophobicContact CG2-CD1 4.11Å; V205-F293 CarbonylContact C-O 3.57Å; V205-F293 WeakPolarHBondContact CA-O 3.35Å; V205-A294 HydrophobicContact CG2-CB 3.93Å
206	F	98.9	Very high	98.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.6	176.5	-63.1	-83.2	0	0	0	110	V119 R192 A196 L204 L292 F293 F300	V119-F206 HydrophobicContact CB-CD1 3.8Å; V119-F206 HydrophobicContact CB-CE1 3.94Å; V119-F206 HydrophobicContact CG1-CD1 4.01Å; V119-F206 HydrophobicContact CG1-CE1 3.99Å; V119-F206 HydrophobicContact CG2-CE1 4.3Å; R192-F206 HydrophobicContact CB-CD1 4.07Å; R192-F206 HydrophobicContact CB-CE1 3.74Å; R192-F206 HydrophobicContact CG-CD1 3.83Å; R192-F206 HydrophobicContact CG-CE1 4.04Å; A196-F206 HydrophobicContact CB-CZ 4.16Å; L204-F206 HydrophobicContact CB-CE2 3.9Å; L204-F206 HydrophobicContact CB-CZ 4.29Å; L204-F206 HydrophobicContact CD1-CE2 4.19Å; L204-F206 HydrophobicContact CD1-CZ 4.05Å; F206-L292 VanDerWaalsContact O-CA 3.31Å; F206-L292 WeakPolarHBondContact O-CA 3.19Å; F206-F293 HydrophobicContact CB-CD1 4.17Å; F206-F293 HydrophobicContact CB-CE1 3.94Å; F206-F293 HydrophobicContact CB-CZ 4.46Å; F206-F293 HydrophobicContact CD2-CD1 4.16Å; F206-F293 HydrophobicContact CD2-CD2 4.1Å; F206-F293 AromaticContact CD2-CE1 3.53Å; F206-F293 HydrophobicContact CD2-CE1 3.53Å; F206-F293 AromaticContact CD2-CE2 3.48Å; F206-F293 HydrophobicContact CD2-CE2 3.48Å; F206-F293 VanDerWaalsContact CD2-CE2 3.48Å; F206-F293 HydrophobicContact CD2-CG 4.41Å; F206-F293 AromaticContact CD2-CZ 3.16Å; F206-F293 HydrophobicContact CD2-CZ 3.16Å; F206-F293 HydrophobicContact CE2-CE1 4.28Å; F206-F293 AromaticContact CE2-CE2 3.72Å; F206-F293 HydrophobicContact CE2-CE2 3.72Å; F206-F293 AromaticContact CE2-CZ 3.5Å; F206-F293 HydrophobicContact CE2-CZ 3.5Å; F206-F293 VanDerWaalsContact CE2-CZ 3.5Å; F206-F293 AromaticContact CG-CE1 3.93Å; F206-F293 HydrophobicContact CG-CE1 3.93Å; F206-F293 AromaticContact CG-CZ 3.98Å; F206-F293 HydrophobicContact CG-CZ 3.98Å; F206-F293 PolarHBondContact N-O 3.47Å; F206-F293 PolarHBondContact O-N 3.21Å; F206-F300 HydrophobicContact CE2-CE2 4.46Å; F206-F300 HydrophobicContact CZ-CE2 4.39Å; F206-F300 HydrophobicContact CZ-CZ 4.31Å
207	L	98.8	Very high	98.1	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.8	170.9	-66.4	179.2	0	0	0	109.7	V118 V119 I120 V137 V213 W217 L292 V339	V118-L207 HydrophobicContact CG1-CD1 3.82Å; V118-L207 HydrophobicContact CG1-CG 4.17Å; V119-L207 PolarHBondContact O-N 3.23Å; I120-L207 HydrophobicContact CG1-CB 4.15Å; V137-L207 HydrophobicContact CG2-CD1 3.57Å; L207-V213 HydrophobicContact CD1-CG1 3.93Å; L207-W217 HydrophobicContact CD1-CH2 3.78Å; L207-W217 HydrophobicContact CD1-CZ2 4.47Å; L207-W217 HydrophobicContact CD1-CZ3 4.24Å; L207-W217 HydrophobicContact CD2-CH2 4.35Å; L207-W217 HydrophobicContact CD2-CZ3 4.02Å; L207-W217 HydrophobicContact CG-CH2 4.31Å; L207-W217 HydrophobicContact CG-CZ3 4.47Å; L207-L292 HydrophobicContact CD2-CB 4.21Å; L207-L292 HydrophobicContact CD2-CD2 3.65Å; L207-L292 HydrophobicContact CD2-CG 3.82Å; L207-V339 HydrophobicContact CD2-CG1 4.26Å
208	D	98.3	Very high	98.1	Very high	27 Å²	27	22.5 Å²	22.5	14%	0.144	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	157.1	169.1	-66.8	-23.8	0	0	0	110.2	R192 H210 C211 G291 H341	R192-D208 IonicContact NH2-OD1 3.31Å; R192-D208 PolarHBondContact NH2-OD1 3.36Å; D208-H210 PolarHBondContact O-N 3.42Å; D208-C211 PolarHBondContact O-SG 3.34Å; D208-G291 WeakPolarHBondContact OD2-CA 3.39Å; D208-H341 IonicContact OD2-CD2 3.59Å; D208-H341 IonicContact OD2-NE2 3.31Å
209	S	98	Very high	98.1	Very high	7 Å²	7	20.6 Å²	20.6	5%	0.049	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	5.8	-171.8	53	0	0	0	0	116.2	E125 A129 L130 T133	E125-S209 PolarHBondContact OE2-OG 2.65Å; A129-S209 CarbonylContact C-O 3.57Å; L130-S209 WeakPolarHBondContact CA-O 3.44Å; L130-S209 PolarHBondContact N-O 2.71Å; T133-S209 VanDerWaalsContact OG1-C 3.27Å; T133-S209 PolarHBondContact OG1-O 2.99Å; T133-S209 VanDerWaalsContact OG1-O 3.08Å
210	H	98.3	Very high	98	Very high	25 Å²	25	20.5 Å²	20.5	12%	0.116	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	54.3	-179.2	41.2	-89	0	0	0	110.1	E125 A129 T133 D208 H341 I342 R344	E125-H210 IonicContact OE2-CE1 3.84Å; E125-H210 IonicContact OE2-CG 3.99Å; E125-H210 IonicContact OE2-ND1 2.65Å; E125-H210 PolarHBondContact OE2-ND1 3.36Å; A129-H210 HydrophobicContact CB-CB 4.23Å; T133-H210 WeakPolarHBondContact OG1-CA 3.31Å; T133-H210 PolarHBondContact OG1-N 3.27Å; D208-H210 PolarHBondContact O-N 3.42Å; H210-H341 AromaticContact CD2-CD2 3.88Å; H210-H341 AromaticContact CD2-CE1 3.86Å; H210-H341 AromaticContact CD2-NE2 3.42Å; H210-H341 PolarHBondContact CD2-NE2 3.35Å; H210-H341 AromaticContact NE2-CE1 3.76Å; H210-H341 AromaticContact NE2-NE2 3.24Å; H210-H341 PolarHBondContact NE2-NE2 3.47Å; H210-I342 HydrophobicContact CB-CB 4.23Å; H210-I342 HydrophobicContact CB-CD1 4.01Å; H210-I342 HydrophobicContact CB-CG1 4.2Å; H210-I342 PolarHBondContact O-N 3.18Å; H210-I342 VanDerWaalsContact O-N 3.1Å; H210-R344 PolarHBondContact ND1-NH2 3.37Å; H210-R344 VanDerWaalsContact ND1-NH2 3.17Å
211	C	98.7	Very high	98	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.2	179.4	-64.8	0	0	0	0	112.1	T133 D208 V339 G340	T133-C211 WeakPolarHBondContact CA-O 3.37Å; T133-C211 WeakPolarHBondContact CB-O 3.44Å; T133-C211 HydrophobicContact CG2-CB 3.98Å; T133-C211 PolarHBondContact OG1-N 2.86Å; T133-C211 PolarHBondContact OG1-O 2.8Å; D208-C211 PolarHBondContact O-SG 3.34Å; C211-V339 HydrophobicContact CB-CG1 3.82Å; C211-G340 CarbonylContact C-O 3.49Å; C211-G340 WeakPolarHBondContact CA-O 3.05Å; C211-G340 WeakPolarHBondContact CB-O 3.43Å
212	E	98.7	Very high	98.1	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.028	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	109.8	172.1	-68.8	-177.7	-112.4	0	0	109.1	R94 L96 R132 Y247 G340	R94-E212 IonicContact CZ-OE1 3.13Å; R94-E212 VanDerWaalsContact CZ-OE1 3.31Å; R94-E212 IonicContact CZ-OE2 3.57Å; R94-E212 IonicContact NE-OE1 2.8Å; R94-E212 PolarHBondContact NE-OE1 3.23Å; R94-E212 IonicContact NE-OE2 2.9Å; R94-E212 PolarHBondContact NE-OE2 2.9Å; R94-E212 VanDerWaalsContact NH2-CD 3.34Å; R94-E212 IonicContact NH2-OE1 3.86Å; R94-E212 PolarHBondContact NH2-OE1 2.98Å; R94-E212 IonicContact NH2-OE2 3.32Å; R94-E212 PolarHBondContact NH2-OE2 3.49Å; L96-E212 HydrophobicContact CD1-CB 3.94Å; R132-E212 WeakPolarHBondContact CD-OE1 3.28Å; R132-E212 VanDerWaalsContact CD-OE2 3.26Å; R132-E212 WeakPolarHBondContact CD-OE2 3.07Å; R132-E212 HydrophobicContact CG-CG 4.08Å; R132-E212 IonicContact NH1-OE1 2.8Å; E212-Y247 HydrophobicContact CB-CE2 4.45Å; E212-G340 PolarHBondContact N-O 2.61Å; E212-G340 PolarHBondContact O-N 3.02Å
213	V	98.7	Very high	98	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.9	-176.5	-55.6	0	0	0	0	110.8	L96 S136 V137 R140 L207 W217 V339	L96-V213 WeakPolarHBondContact CD1-O 3.37Å; S136-V213 VanDerWaalsContact C-CG2 3.49Å; S136-V213 WeakPolarHBondContact O-CG2 3.46Å; S136-V213 PolarHBondContact OG-N 3.18Å; V137-V213 HydrophobicContact CG2-CG1 4.03Å; V137-V213 HydrophobicContact CG2-CG2 4.49Å; R140-V213 HydrophobicContact CB-CG2 4.11Å; R140-V213 VanDerWaalsContact CD-O 3.23Å; R140-V213 WeakPolarHBondContact CD-O 3.49Å; R140-V213 PolarHBondContact NH1-O 3.44Å; R140-V213 VanDerWaalsContact NH1-O 3.1Å; L207-V213 HydrophobicContact CD1-CG1 3.93Å; V213-W217 HydrophobicContact CB-CB 4.35Å; V213-W217 HydrophobicContact CB-CD2 3.64Å; V213-W217 HydrophobicContact CB-CE3 4.28Å; V213-W217 HydrophobicContact CB-CG 3.62Å; V213-W217 HydrophobicContact CB-CZ2 4.4Å; V213-W217 HydrophobicContact CG1-CD2 3.67Å; V213-W217 HydrophobicContact CG1-CE3 3.9Å; V213-W217 HydrophobicContact CG1-CG 4.22Å; V213-W217 HydrophobicContact CG1-CH2 4.04Å; V213-W217 HydrophobicContact CG1-CZ2 3.83Å; V213-W217 HydrophobicContact CG1-CZ3 4.08Å; V213-W217 HydrophobicContact CG2-CD2 4.27Å; V213-W217 HydrophobicContact CG2-CG 4.14Å; V213-V339 HydrophobicContact CB-CG2 4.39Å; V213-V339 HydrophobicContact CG1-CG1 3.95Å; V213-V339 HydrophobicContact CG1-CG2 4.04Å
214	N	97.6	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.			trans	-89.7	178.7	179.2	-146.3	-51.1	0	0	0	111.5	P97 T99 W217 Y247 R338	P97-N214 PolarHBondContact O-ND2 3.16Å; T99-N214 PolarHBondContact OG1-ND2 2.92Å; T99-N214 VanDerWaalsContact OG1-ND2 3.08Å; N214-W217 WeakPolarHBondContact O-CB 3.11Å; N214-W217 PolarHBondContact O-N 2.78Å; N214-Y247 PolarHBondContact ND2-OH 3.49Å; N214-R338 HydrophobicContact CB-CB 4.12Å; N214-R338 WeakPolarHBondContact CB-O 3.32Å; N214-R338 PolarHBondContact N-O 2.93Å
215	E	94.7	Very high	97.9	Very high	85 Å²	85	13 Å²	13	40%	0.397	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	134.7	179	-64.9	-57.1	147.4	0	0	112.3	R100 R140 W217	R100-E215 WeakPolarHBondContact CD-O 3.23Å; R100-E215 PolarHBondContact NE-O 3.21Å; R100-E215 PolarHBondContact NH1-O 3.43Å; R140-E215 IonicContact NE-OE1 2.71Å; R140-E215 PolarHBondContact NE-OE1 2.77Å; E215-W217 PolarHBondContact O-N 3.46Å; E215-W217 VanDerWaalsContact O-N 3.11Å
216	A	94.4	Very high	97.9	Very high	28 Å²	28	17.5 Å²	17.5	23%	0.231	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	40.1	-177.2	0	0	0	0	0	114	L218 P220	A216-L218 VanDerWaalsContact C-N 3.31Å; A216-L218 PolarHBondContact O-N 3.21Å; A216-P220 WeakPolarHBondContact O-CD 3.21Å; A216-P220 WeakPolarHBondContact O-CG 3.46Å
217	W	98.1	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.			trans	-67.6	-29.1	-180	75.1	-71.9	0	0	0	113.1	V118 V137 S141 V205 L207 V213 N214 E215 L221 S337 V339	V118-W217 HydrophobicContact CG2-CH2 4.46Å; V137-W217 HydrophobicContact CG1-CZ2 4.42Å; V137-W217 HydrophobicContact CG2-CZ2 4.28Å; S141-W217 PolarHBondContact OG-NE1 2.68Å; S141-W217 VanDerWaalsContact OG-NE1 3.11Å; V205-W217 HydrophobicContact CG1-CH2 3.7Å; V205-W217 HydrophobicContact CG1-CZ3 3.78Å; L207-W217 HydrophobicContact CD1-CH2 3.78Å; L207-W217 HydrophobicContact CD1-CZ2 4.47Å; L207-W217 HydrophobicContact CD1-CZ3 4.24Å; L207-W217 HydrophobicContact CD2-CH2 4.35Å; L207-W217 HydrophobicContact CD2-CZ3 4.02Å; L207-W217 HydrophobicContact CG-CH2 4.31Å; L207-W217 HydrophobicContact CG-CZ3 4.47Å; V213-W217 HydrophobicContact CB-CB 4.35Å; V213-W217 HydrophobicContact CB-CD2 3.64Å; V213-W217 HydrophobicContact CB-CE3 4.28Å; V213-W217 HydrophobicContact CB-CG 3.62Å; V213-W217 HydrophobicContact CB-CZ2 4.4Å; V213-W217 HydrophobicContact CG1-CD2 3.67Å; V213-W217 HydrophobicContact CG1-CE3 3.9Å; V213-W217 HydrophobicContact CG1-CG 4.22Å; V213-W217 HydrophobicContact CG1-CH2 4.04Å; V213-W217 HydrophobicContact CG1-CZ2 3.83Å; V213-W217 HydrophobicContact CG1-CZ3 4.08Å; V213-W217 HydrophobicContact CG2-CD2 4.27Å; V213-W217 HydrophobicContact CG2-CG 4.14Å; N214-W217 WeakPolarHBondContact O-CB 3.11Å; N214-W217 PolarHBondContact O-N 2.78Å; E215-W217 PolarHBondContact O-N 3.46Å; E215-W217 VanDerWaalsContact O-N 3.11Å; W217-L221 HydrophobicContact CE3-CD1 3.72Å; W217-L221 HydrophobicContact CZ3-CD1 3.79Å; W217-L221 WeakPolarHBondContact O-CG 3.17Å; W217-S337 WeakPolarHBondContact O-CB 3.23Å; W217-S337 PolarHBondContact O-OG 2.93Å; W217-V339 HydrophobicContact CD2-CG2 4.38Å; W217-V339 HydrophobicContact CE3-CG2 3.65Å; W217-V339 HydrophobicContact CZ3-CG2 4.22Å
218	L	98.4	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-81.9	-47.2	-168.5	-176.2	58.3	0	0	0	112.8	A116 L145 V205 A216 P220 L221 L222	A116-L218 HydrophobicContact CB-CD1 4.14Å; A116-L218 HydrophobicContact CB-CD2 4.46Å; L145-L218 HydrophobicContact CB-CD2 3.92Å; V205-L218 HydrophobicContact CG2-CD1 4.11Å; A216-L218 VanDerWaalsContact C-N 3.31Å; A216-L218 PolarHBondContact O-N 3.21Å; L218-P220 VanDerWaalsContact C-CD 3.46Å; L218-L221 WeakPolarHBondContact O-CA 3.32Å; L218-L221 WeakPolarHBondContact O-CB 3.48Å; L218-L221 PolarHBondContact O-N 3.03Å; L218-L222 HydrophobicContact CD1-CD1 4.05Å; L218-L222 HydrophobicContact CD1-CD2 4.15Å; L218-L222 HydrophobicContact CD1-CG 3.99Å; L218-L222 HydrophobicContact CD2-CD1 4.23Å; L218-L222 HydrophobicContact CG-CD1 3.72Å; L218-L222 HydrophobicContact CG-CG 4.08Å; L218-L222 WeakPolarHBondContact O-CG 3.42Å; L218-L222 PolarHBondContact O-N 3.3Å; L218-L222 VanDerWaalsContact O-N 3.08Å
219	Q	97.9	Very high	97.8	Very high	37 Å²	37	27.1 Å²	27.1	17%	0.173	15%	0.153	C	C	.	.	H	α-helix	trans	-56.2	-43.6	-177	-56.4	90.7	-49.5	0	0	113.7	Y109 L113 P142 L145 L221 L222 A223	Y109-Q219 HydrophobicContact CD1-CB 4.3Å; Y109-Q219 HydrophobicContact CD2-CB 3.79Å; Y109-Q219 HydrophobicContact CE2-CB 4.41Å; Y109-Q219 HydrophobicContact CG-CB 3.74Å; L113-Q219 HydrophobicContact CD1-CB 3.8Å; L113-Q219 HydrophobicContact CD1-CG 4.02Å; P142-Q219 VanDerWaalsContact CG-NE2 3.34Å; L145-Q219 HydrophobicContact CD1-CG 3.73Å; Q219-L221 PolarHBondContact O-N 2.89Å; Q219-L222 PolarHBondContact O-N 3.45Å; Q219-A223 PolarHBondContact O-N 2.94Å
220	P	97.6	Very high	97.8	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-22.7	175.4	-11.5	22.3	0	0	0	113.9	Y109 A216 L218 P224 V334 C336	Y109-P220 HydrophobicContact CE1-CB 4.03Å; Y109-P220 HydrophobicContact CE1-CG 4.24Å; Y109-P220 HydrophobicContact CE2-CG 4.01Å; Y109-P220 WeakPolarHBondContact OH-CB 3.33Å; Y109-P220 WeakPolarHBondContact OH-CG 3.3Å; A216-P220 WeakPolarHBondContact O-CD 3.21Å; A216-P220 WeakPolarHBondContact O-CG 3.46Å; L218-P220 VanDerWaalsContact C-CD 3.46Å; P220-P224 WeakPolarHBondContact O-CD 3.44Å; P220-V334 HydrophobicContact CB-CG1 3.61Å; P220-C336 HydrophobicContact CB-CB 4.17Å; P220-C336 HydrophobicContact CG-CB 4.14Å
221	L	98.3	Very high	97.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-78.9	-39.6	173.4	-61.2	175.4	0	0	0	111.5	W217 L218 Q219 P224 V225 V233 P235 A294 S337	W217-L221 HydrophobicContact CE3-CD1 3.72Å; W217-L221 HydrophobicContact CZ3-CD1 3.79Å; W217-L221 WeakPolarHBondContact O-CG 3.17Å; L218-L221 WeakPolarHBondContact O-CA 3.32Å; L218-L221 WeakPolarHBondContact O-CB 3.48Å; L218-L221 PolarHBondContact O-N 3.03Å; Q219-L221 PolarHBondContact O-N 2.89Å; L221-P224 WeakPolarHBondContact O-CD 3.36Å; L221-V225 WeakPolarHBondContact O-CG2 3.47Å; L221-V233 HydrophobicContact CD2-CB 4.28Å; L221-V233 HydrophobicContact CD2-CG1 3.67Å; L221-P235 HydrophobicContact CD2-CB 4.26Å; L221-A294 HydrophobicContact CB-CB 3.93Å; L221-A294 HydrophobicContact CD1-CB 4.44Å; L221-S337 WeakPolarHBondContact CD2-OG 3.46Å; L221-S337 VanDerWaalsContact CG-OG 3.31Å; L221-S337 WeakPolarHBondContact CG-OG 3.35Å
222	L	98.7	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-76.6	-35	-175.1	-60.9	179	0	0	0	113.2	L113 P114 A116 L145 V203 L218 Q219 V225 Q226	L113-L222 HydrophobicContact CB-CB 4.26Å; L113-L222 HydrophobicContact CB-CD1 4.24Å; L113-L222 HydrophobicContact CD1-CB 4.29Å; L113-L222 HydrophobicContact CD2-CB 4.13Å; L113-L222 HydrophobicContact CG-CB 4.47Å; P114-L222 HydrophobicContact CG-CB 4.39Å; P114-L222 WeakPolarHBondContact O-CD1 3.41Å; A116-L222 HydrophobicContact CB-CD2 4.05Å; L145-L222 HydrophobicContact CB-CD1 4.23Å; L145-L222 HydrophobicContact CD1-CD1 4.16Å; V203-L222 HydrophobicContact CB-CD2 3.85Å; V203-L222 HydrophobicContact CG1-CD2 3.7Å; V203-L222 HydrophobicContact CG2-CD2 4.01Å; L218-L222 HydrophobicContact CD1-CD1 4.05Å; L218-L222 HydrophobicContact CD1-CD2 4.15Å; L218-L222 HydrophobicContact CD1-CG 3.99Å; L218-L222 HydrophobicContact CD2-CD1 4.23Å; L218-L222 HydrophobicContact CG-CD1 3.72Å; L218-L222 HydrophobicContact CG-CG 4.08Å; L218-L222 WeakPolarHBondContact O-CG 3.42Å; L218-L222 PolarHBondContact O-N 3.3Å; L218-L222 VanDerWaalsContact O-N 3.08Å; Q219-L222 PolarHBondContact O-N 3.45Å; L222-V225 PolarHBondContact O-N 3.42Å; L222-Q226 PolarHBondContact O-N 2.67Å
223	A	97.6	Very high	97.8	Very high	23 Å²	23	30.9 Å²	30.9	19%	0.19	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-44.6	-175.5	0	0	0	0	0	113.7	Y109 L113 Q219 Q226 A227	Y109-A223 HydrophobicContact CD1-CB 3.95Å; Y109-A223 HydrophobicContact CE1-CB 4.45Å; L113-A223 HydrophobicContact CD2-CB 3.99Å; Q219-A223 PolarHBondContact O-N 2.94Å; A223-Q226 PolarHBondContact O-N 3.43Å; A223-A227 PolarHBondContact O-N 2.93Å; A223-A227 VanDerWaalsContact O-N 3.07Å
224	P	97.5	Very high	97.8	Very high	23 Å²	23	31.2 Å²	31.2	15%	0.149	17%	0.167	C	C	.	.	H	α-helix	trans	-67.2	-35.7	174.9	-19.4	32.1	0	0	0	113.4	P220 L221 Q226 A227 D228 T231 V233 L332 V334	P220-P224 WeakPolarHBondContact O-CD 3.44Å; L221-P224 WeakPolarHBondContact O-CD 3.36Å; P224-Q226 VanDerWaalsContact C-N 3.32Å; P224-A227 PolarHBondContact O-N 3.45Å; P224-D228 PolarHBondContact O-N 2.95Å; P224-T231 HydrophobicContact CB-CG2 3.95Å; P224-V233 HydrophobicContact CB-CG2 3.82Å; P224-V233 HydrophobicContact CG-CG2 4.18Å; P224-L332 HydrophobicContact CB-CD1 4.33Å; P224-V334 HydrophobicContact CG-CG2 4.25Å
225	V	98.4	Very high	97.9	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-37.7	176.5	-179.9	0	0	0	0	111.1	V203 L221 L222 D228 R229 V233 D296	V203-V225 HydrophobicContact CG1-CG1 4.48Å; V203-V225 HydrophobicContact CG2-CG1 3.79Å; L221-V225 WeakPolarHBondContact O-CG2 3.47Å; L222-V225 PolarHBondContact O-N 3.42Å; V225-D228 CarbonylContact O-C 3.6Å; V225-R229 WeakPolarHBondContact O-CA 3.38Å; V225-R229 PolarHBondContact O-N 2.87Å; V225-V233 HydrophobicContact CG2-CG2 3.74Å; V225-D296 HydrophobicContact CG1-CB 4.01Å
226	Q	97.9	Very high	98	Very high	94 Å²	94	27.9 Å²	27.9	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-65.8	-42.1	173.9	178.9	176.5	62.8	0	0	111.9	A112 P114 L222 A223 P224	A112-Q226 PolarHBondContact O-NE2 3.46Å; P114-Q226 HydrophobicContact CG-CB 4.31Å; L222-Q226 PolarHBondContact O-N 2.67Å; A223-Q226 PolarHBondContact O-N 3.43Å; P224-Q226 VanDerWaalsContact C-N 3.32Å
227	A	97.3	Very high	98.2	Very high	91 Å²	91	27.4 Å²	27.4	75%	0.752	15%	0.146	S	C	*	.	H	α-helix	trans	-66.2	-40.5	-178.9	0	0	0	0	0	112.2	A223 P224	A223-A227 PolarHBondContact O-N 2.93Å; A223-A227 VanDerWaalsContact O-N 3.07Å; P224-A227 PolarHBondContact O-N 3.45Å
228	D	98.3	Very high	98.2	Very high	60 Å²	60	27.4 Å²	27.4	32%	0.321	15%	0.146	S	C	.	.			trans	-142.9	114.6	171.2	171.4	16.4	0	0	0	109.7	P224 V225 R230 T231 Q330	P224-D228 PolarHBondContact O-N 2.95Å; V225-D228 CarbonylContact O-C 3.6Å; D228-R230 PolarHBondContact O-N 3.08Å; D228-R230 PolarHBondContact OD1-N 3.2Å; D228-T231 WeakPolarHBondContact CB-OG1 3.47Å; D228-T231 WeakPolarHBondContact O-CB 3.47Å; D228-T231 PolarHBondContact O-N 2.69Å; D228-T231 PolarHBondContact O-OG1 3.29Å; D228-Q330 PolarHBondContact OD2-NE2 2.9Å
229	R	98.1	Very high	98	Very high	81 Å²	81	30.6 Å²	30.6	31%	0.306	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.9	180	-163.4	179.6	68	95.2	-3	113.3	V225 T231 D296 Y299 E302	V225-R229 WeakPolarHBondContact O-CA 3.38Å; V225-R229 PolarHBondContact O-N 2.87Å; R229-T231 PolarHBondContact O-N 3.21Å; R229-D296 VanDerWaalsContact CD-CG 3.42Å; R229-D296 VanDerWaalsContact CD-OD1 3.24Å; R229-D296 WeakPolarHBondContact CD-OD1 3.48Å; R229-D296 HydrophobicContact CG-CB 3.36Å; R229-D296 VanDerWaalsContact CG-OD1 3.25Å; R229-D296 WeakPolarHBondContact CG-OD1 3.4Å; R229-D296 WeakPolarHBondContact CG-OD2 3.36Å; R229-D296 IonicContact CZ-OD1 3.76Å; R229-D296 IonicContact NE-OD1 3.89Å; R229-D296 IonicContact NH1-OD1 2.87Å; R229-D296 PolarHBondContact NH1-OD1 3.42Å; R229-D296 WeakPolarHBondContact O-CB 3.35Å; R229-Y299 WeakPolarHBondContact O-CD1 3.43Å; R229-E302 IonicContact CZ-OE1 3.26Å; R229-E302 VanDerWaalsContact CZ-OE1 3.26Å; R229-E302 IonicContact CZ-OE2 3.59Å; R229-E302 IonicContact NH1-OE1 2.8Å; R229-E302 PolarHBondContact NH1-OE1 3.27Å; R229-E302 IonicContact NH1-OE2 3.53Å; R229-E302 IonicContact NH2-OE1 2.89Å; R229-E302 PolarHBondContact NH2-OE1 3.03Å; R229-E302 IonicContact NH2-OE2 2.74Å; R229-E302 PolarHBondContact NH2-OE2 3.01Å
230	R	98.4	Very high	97.9	Very high	115 Å²	115	28.9 Å²	28.9	43%	0.434	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	7.1	177.6	-60.8	-173	173.9	-176.4	-0.1	113.7	D228 Y299 G329 Q330	D228-R230 PolarHBondContact O-N 3.08Å; D228-R230 PolarHBondContact OD1-N 3.2Å; R230-Y299 VanDerWaalsContact CA-CE1 3.47Å; R230-Y299 HydrophobicContact CB-CD1 4.41Å; R230-Y299 HydrophobicContact CB-CE1 3.97Å; R230-Y299 HydrophobicContact CB-CE2 4.27Å; R230-Y299 HydrophobicContact CG-CD2 4.14Å; R230-Y299 HydrophobicContact CG-CE1 4.39Å; R230-Y299 HydrophobicContact CG-CE2 3.87Å; R230-Y299 WeakPolarHBondContact O-CE1 3.45Å; R230-G329 VanDerWaalsContact O-CA 3.3Å; R230-G329 WeakPolarHBondContact O-CA 3.26Å; R230-Q330 PolarHBondContact O-N 3.17Å; R230-Q330 VanDerWaalsContact O-N 3.07Å
231	T	98.7	Very high	97.5	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.6	174.1	-52.1	0	0	0	0	110.8	P224 D228 R229 V233 Q330 L332	P224-T231 HydrophobicContact CB-CG2 3.95Å; D228-T231 WeakPolarHBondContact CB-OG1 3.47Å; D228-T231 WeakPolarHBondContact O-CB 3.47Å; D228-T231 PolarHBondContact O-N 2.69Å; D228-T231 PolarHBondContact O-OG1 3.29Å; R229-T231 PolarHBondContact O-N 3.21Å; T231-V233 HydrophobicContact CG2-CG2 3.65Å; T231-Q330 HydrophobicContact CG2-CG 3.9Å; T231-Q330 WeakPolarHBondContact OG1-CG 3.45Å; T231-Q330 PolarHBondContact OG1-NE2 3.01Å; T231-L332 HydrophobicContact CG2-CD1 3.64Å; T231-L332 HydrophobicContact CG2-CG 4.01Å
232	V	98.8	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.2	167.7	-175.9	0	0	0	0	108.2	M288 F293 M295 Y299 I324 Q330 L331 L332	V232-M288 HydrophobicContact CG1-CE 3.84Å; V232-F293 HydrophobicContact CG1-CB 4.35Å; V232-F293 HydrophobicContact CG1-CD2 3.75Å; V232-F293 HydrophobicContact CG1-CG 4.41Å; V232-M295 HydrophobicContact CG1-CB 4.31Å; V232-M295 HydrophobicContact CG2-CB 4.21Å; V232-M295 HydrophobicContact CG2-CE 3.96Å; V232-M295 HydrophobicContact CG2-CG 3.77Å; V232-M295 HydrophobicContact CG2-SD 3.64Å; V232-Y299 HydrophobicContact CG2-CE1 4.34Å; V232-I324 HydrophobicContact CB-CD1 3.94Å; V232-I324 HydrophobicContact CG1-CD1 4.03Å; V232-I324 HydrophobicContact CG2-CD1 3.58Å; V232-I324 HydrophobicContact CG2-CG1 3.9Å; V232-I324 HydrophobicContact CG2-CG2 4.09Å; V232-Q330 PolarHBondContact N-O 3.32Å; V232-L331 HydrophobicContact CB-CD1 3.96Å; V232-L331 HydrophobicContact CG1-CD1 3.87Å; V232-L331 WeakPolarHBondContact O-CA 3.5Å; V232-L332 PolarHBondContact O-N 2.9Å
233	V	98.7	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128	-169.7	-168	0	0	0	0	110.7	L221 P224 V225 T231 F293 A294 L332 V334	L221-V233 HydrophobicContact CD2-CB 4.28Å; L221-V233 HydrophobicContact CD2-CG1 3.67Å; P224-V233 HydrophobicContact CB-CG2 3.82Å; P224-V233 HydrophobicContact CG-CG2 4.18Å; V225-V233 HydrophobicContact CG2-CG2 3.74Å; T231-V233 HydrophobicContact CG2-CG2 3.65Å; V233-F293 CarbonylContact O-C 3.59Å; V233-F293 VanDerWaalsContact O-CA 3.28Å; V233-F293 WeakPolarHBondContact O-CA 3.12Å; V233-A294 PolarHBondContact N-O 3.32Å; V233-A294 PolarHBondContact O-N 3.13Å; V233-L332 CarbonylContact C-O 3.55Å; V233-L332 WeakPolarHBondContact CA-O 3.06Å; V233-V334 HydrophobicContact CG1-CB 4.1Å; V233-V334 HydrophobicContact CG1-CG2 3.34Å
234	C	98.8	Very high	96.2	Very high	8 Å²	8	30.5 Å²	30.5	5%	0.054	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.7	172.8	-68.3	0	0	0	0	110.6	L332 I333 V334	C234-L332 PolarHBondContact N-O 2.86Å; C234-I333 HydrophobicContact CB-CG1 3.95Å; C234-I333 WeakPolarHBondContact O-CA 2.98Å; C234-V334 PolarHBondContact O-N 3.48Å
235	P	98.6	Very high	95.9	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.032	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	164.3	164.4	32.9	-34.9	0	0	0	110.2	L221 L292 S337 V339	L221-P235 HydrophobicContact CD2-CB 4.26Å; P235-L292 WeakPolarHBondContact CD-O 3.33Å; P235-L292 HydrophobicContact CG-CB 3.85Å; P235-L292 HydrophobicContact CG-CD2 4.25Å; P235-S337 CarbonylContact C-O 3.55Å; P235-S337 WeakPolarHBondContact CA-O 3.25Å; P235-S337 WeakPolarHBondContact CB-O 3.27Å; P235-S337 WeakPolarHBondContact CB-OG 3.28Å; P235-V339 HydrophobicContact CB-CB 4.5Å; P235-V339 HydrophobicContact CB-CG2 3.91Å; P235-V339 HydrophobicContact CG-CB 4.34Å; P235-V339 HydrophobicContact CG-CG2 3.92Å
236	V	98.1	Very high	95.6	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.055	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.3	159	177.1	0	0	0	0	108.5	D238 I252 I333 S337 R338 V339	V236-D238 PolarHBondContact O-N 3.48Å; V236-I252 HydrophobicContact CG2-CD1 3.96Å; V236-I333 HydrophobicContact CG2-CG2 3.74Å; V236-S337 PolarHBondContact N-O 3.28Å; V236-R338 HydrophobicContact CB-CG 4.34Å; V236-R338 WeakPolarHBondContact O-CA 3.37Å; V236-V339 PolarHBondContact O-N 3.39Å
237	I	98	Very high	95.4	Very high	18 Å²	18	26.7 Å²	26.7	9%	0.092	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	106.8	-178.4	-55.2	173.8	0	0	0	108.4	S250 W265 A289 L292 V339 H341 F343	I237-S250 WeakPolarHBondContact O-CB 3.43Å; I237-S250 PolarHBondContact O-OG 2.97Å; I237-W265 HydrophobicContact CD1-CH2 4.25Å; I237-W265 HydrophobicContact CD1-CZ2 4.43Å; I237-A289 HydrophobicContact CD1-CB 3.84Å; I237-L292 HydrophobicContact CD1-CD1 4.09Å; I237-L292 HydrophobicContact CG1-CD1 4.44Å; I237-V339 CarbonylContact C-O 3.55Å; I237-V339 WeakPolarHBondContact CA-O 3.41Å; I237-H341 HydrophobicContact CG2-CB 3.54Å; I237-F343 HydrophobicContact CG2-CE2 4.05Å; I237-F343 HydrophobicContact CG2-CZ 3.75Å
238	D	97.6	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	158.8	176.4	-79.7	-9	0	0	0	111.5	T99 V236 Y247 F248 S250 R338 V339 G340 H341	T99-D238 WeakPolarHBondContact CB-OD2 3.49Å; T99-D238 PolarHBondContact OG1-OD2 2.89Å; V236-D238 PolarHBondContact O-N 3.48Å; D238-Y247 HydrophobicContact CB-CD1 4.47Å; D238-Y247 HydrophobicContact CB-CE1 3.6Å; D238-Y247 VanDerWaalsContact OD2-CE1 3.31Å; D238-Y247 WeakPolarHBondContact OD2-CE1 3.44Å; D238-Y247 PolarHBondContact OD2-OH 2.87Å; D238-F248 VanDerWaalsContact CB-O 3.32Å; D238-F248 WeakPolarHBondContact CB-O 3.28Å; D238-S250 WeakPolarHBondContact CA-OG 3.21Å; D238-S250 PolarHBondContact OD1-N 3.22Å; D238-R338 VanDerWaalsContact CG-NE 3.32Å; D238-R338 IonicContact OD1-CZ 2.76Å; D238-R338 IonicContact OD1-NE 2.77Å; D238-R338 PolarHBondContact OD1-NE 3.29Å; D238-R338 IonicContact OD1-NH2 3.75Å; D238-R338 PolarHBondContact OD1-NH2 3.04Å; D238-R338 IonicContact OD2-CZ 3.42Å; D238-R338 IonicContact OD2-NE 3.72Å; D238-R338 PolarHBondContact OD2-NE 3.04Å; D238-R338 IonicContact OD2-NH2 2.75Å; D238-V339 PolarHBondContact N-O 2.94Å; D238-G340 CarbonylContact O-C 3.55Å; D238-G340 WeakPolarHBondContact O-CA 3.49Å; D238-H341 PolarHBondContact O-N 2.86Å
239	I	94.2	Very high	94.7	Very high	68 Å²	68	27.4 Å²	27.4	35%	0.349	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119	-175	-62.8	163.8	0	0	0	109	Y247 F248 F343	I239-Y247 CarbonylContact O-C 3.58Å; I239-F248 HydrophobicContact CB-CB 4.37Å; I239-F248 PolarHBondContact N-O 2.83Å; I239-F248 PolarHBondContact O-N 3.38Å; I239-F343 HydrophobicContact CB-CD2 4.14Å; I239-F343 HydrophobicContact CB-CE2 4.37Å; I239-F343 HydrophobicContact CG1-CD2 3.9Å; I239-F343 HydrophobicContact CG1-CE2 3.84Å; I239-F343 HydrophobicContact CG2-CD2 4.05Å
240	V	95.7	Very high	94.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118	159.4	-176.8	0	0	0	0	107.4	A242 L245 A246 Y247 H341 I342 F343	V240-A242 PolarHBondContact O-N 2.91Å; V240-L245 HydrophobicContact CG1-CB 4.48Å; V240-L245 HydrophobicContact CG1-CD1 4.03Å; V240-A246 WeakPolarHBondContact CA-O 3.42Å; V240-Y247 HydrophobicContact CG2-CD2 3.73Å; V240-Y247 HydrophobicContact CG2-CE2 4.28Å; V240-Y247 HydrophobicContact CG2-CG 4.44Å; V240-H341 PolarHBondContact N-O 2.72Å; V240-I342 HydrophobicContact CB-CG1 3.94Å; V240-I342 HydrophobicContact CG1-CG1 3.83Å; V240-I342 WeakPolarHBondContact O-CA 3.45Å; V240-F343 PolarHBondContact O-N 3.47Å
241	S	90.9	Very high	93.9	Very high	24 Å²	24	22 Å²	22	17%	0.168	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	129.7	-178.7	171.9	0	0	0	0	110.8	D243 T244 L245 A246	S241-D243 PolarHBondContact O-N 2.99Å; S241-D243 PolarHBondContact OG-N 3.45Å; S241-T244 VanDerWaalsContact CB-OG1 3.24Å; S241-T244 WeakPolarHBondContact CB-OG1 3.47Å; S241-T244 PolarHBondContact OG-N 3.47Å; S241-T244 PolarHBondContact OG-OG1 2.65Å; S241-L245 WeakPolarHBondContact O-CA 3.34Å; S241-L245 PolarHBondContact O-N 2.77Å; S241-A246 PolarHBondContact N-O 2.99Å
242	A	91.3	Very high	93.5	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.041	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.1	174.5	0	0	0	0	0	112.8	F82 N83 V240 I342 F343	F82-A242 CarbonylContact C-O 3.46Å; F82-A242 WeakPolarHBondContact CA-O 3.28Å; F82-A242 HydrophobicContact CB-CB 3.75Å; F82-A242 WeakPolarHBondContact CB-O 3.4Å; N83-A242 PolarHBondContact N-O 3.09Å; V240-A242 PolarHBondContact O-N 2.91Å; A242-I342 HydrophobicContact CB-CG2 4.17Å; A242-F343 WeakPolarHBondContact CB-O 3.25Å
243	D	87.2	Confident	93.2	Very high	13 Å²	13	25 Å²	25	7%	0.07	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-37.3	-175.1	-54.8	-58.1	0	0	0	113.2	Y77 N83 I86 S241 K345	Y77-D243 WeakPolarHBondContact CE1-OD1 3.2Å; Y77-D243 VanDerWaalsContact OH-CA 3.28Å; Y77-D243 WeakPolarHBondContact OH-CA 3.4Å; Y77-D243 WeakPolarHBondContact OH-CB 3.4Å; Y77-D243 PolarHBondContact OH-OD1 3.04Å; N83-D243 WeakPolarHBondContact CB-O 3.28Å; N83-D243 PolarHBondContact ND2-O 2.92Å; I86-D243 VanDerWaalsContact CD1-O 3.25Å; I86-D243 WeakPolarHBondContact CD1-O 3.13Å; S241-D243 PolarHBondContact O-N 2.99Å; S241-D243 PolarHBondContact OG-N 3.45Å; D243-K345 IonicContact OD1-NZ 3.09Å; D243-K345 PolarHBondContact OD1-NZ 3.09Å; D243-K345 VanDerWaalsContact OD2-CE 3.29Å; D243-K345 WeakPolarHBondContact OD2-CE 3.42Å; D243-K345 IonicContact OD2-NZ 2.69Å; D243-K345 PolarHBondContact OD2-NZ 3.09Å
244	T	87.5	Confident	93	Very high	18 Å²	18	25.6 Å²	25.6	11%	0.11	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-12.6	-173.5	66.2	0	0	0	0	113.5	S241 A246 V535	S241-T244 VanDerWaalsContact CB-OG1 3.24Å; S241-T244 WeakPolarHBondContact CB-OG1 3.47Å; S241-T244 PolarHBondContact OG-N 3.47Å; S241-T244 PolarHBondContact OG-OG1 2.65Å; T244-A246 PolarHBondContact O-N 3.39Å; T244-A246 WeakPolarHBondContact OG1-CB 3.42Å; T244-A246 PolarHBondContact OG1-N 3.22Å; T244-V535 HydrophobicContact CG2-CB 4.36Å; T244-V535 HydrophobicContact CG2-CG1 3.66Å
245	L	92.4	Very high	92.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.146	C	C	.	.			trans	57.9	14.1	-173.8	-68.3	-68	0	0	0	113.3	F82 N83 I86 L90 R94 V240 S241 I342	F82-L245 HydrophobicContact CD2-CD1 4.41Å; N83-L245 HydrophobicContact CB-CD2 3.98Å; I86-L245 HydrophobicContact CB-CD2 3.92Å; I86-L245 HydrophobicContact CB-CG 4.36Å; I86-L245 HydrophobicContact CD1-CD2 4.49Å; I86-L245 HydrophobicContact CG2-CB 3.85Å; I86-L245 HydrophobicContact CG2-CD2 3.96Å; I86-L245 HydrophobicContact CG2-CG 3.94Å; L90-L245 HydrophobicContact CD1-CB 3.68Å; L90-L245 HydrophobicContact CD1-CG 4.13Å; R94-L245 VanDerWaalsContact CZ-O 3.31Å; R94-L245 PolarHBondContact NH1-O 3.27Å; R94-L245 PolarHBondContact NH2-O 3.02Å; V240-L245 HydrophobicContact CG1-CB 4.48Å; V240-L245 HydrophobicContact CG1-CD1 4.03Å; S241-L245 WeakPolarHBondContact O-CA 3.34Å; S241-L245 PolarHBondContact O-N 2.77Å; L245-I342 HydrophobicContact CD1-CD1 3.7Å; L245-I342 HydrophobicContact CD1-CG1 4.3Å
246	A	90.8	Very high	92.8	Very high	23 Å²	23	25 Å²	25	19%	0.19	15%	0.145	C	C	.	.			trans	-67.1	142.2	171.8	0	0	0	0	0	110.5	V240 S241 T244 F248	V240-A246 WeakPolarHBondContact CA-O 3.42Å; S241-A246 PolarHBondContact N-O 2.99Å; T244-A246 PolarHBondContact O-N 3.39Å; T244-A246 WeakPolarHBondContact OG1-CB 3.42Å; T244-A246 PolarHBondContact OG1-N 3.22Å; A246-F248 HydrophobicContact CB-CD2 4.42Å; A246-F248 HydrophobicContact CB-CE2 3.54Å; A246-F248 HydrophobicContact CB-CZ 3.61Å
247	Y	93.4	Very high	92.7	Very high	19 Å²	19	24.6 Å²	24.6	8%	0.075	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.9	-177	-170	-70.2	0	0	0	110	L96 P97 T99 E212 N214 D238 I239 V240 G340	L96-Y247 HydrophobicContact CD1-CD2 4.24Å; L96-Y247 HydrophobicContact CD1-CE2 4.03Å; L96-Y247 HydrophobicContact CD2-CD2 3.85Å; L96-Y247 HydrophobicContact CD2-CE2 4.47Å; L96-Y247 HydrophobicContact CD2-CG 4.34Å; P97-Y247 HydrophobicContact CG-CD1 4.06Å; P97-Y247 HydrophobicContact CG-CG 4.47Å; T99-Y247 HydrophobicContact CG2-CD1 3.8Å; T99-Y247 HydrophobicContact CG2-CE1 3.57Å; E212-Y247 HydrophobicContact CB-CE2 4.45Å; N214-Y247 PolarHBondContact ND2-OH 3.49Å; D238-Y247 HydrophobicContact CB-CD1 4.47Å; D238-Y247 HydrophobicContact CB-CE1 3.6Å; D238-Y247 VanDerWaalsContact OD2-CE1 3.31Å; D238-Y247 WeakPolarHBondContact OD2-CE1 3.44Å; D238-Y247 PolarHBondContact OD2-OH 2.87Å; I239-Y247 CarbonylContact O-C 3.58Å; V240-Y247 HydrophobicContact CG2-CD2 3.73Å; V240-Y247 HydrophobicContact CG2-CE2 4.28Å; V240-Y247 HydrophobicContact CG2-CG 4.44Å; Y247-G340 PolarHBondContact OH-N 2.91Å; Y247-G340 VanDerWaalsContact OH-N 3.16Å
248	F	90	Very high	92.4	Very high	110 Å²	110	27 Å²	27	48%	0.482	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.7	-177.4	-59	-79.4	0	0	0	111.6	D238 I239 A246 S250	D238-F248 VanDerWaalsContact CB-O 3.32Å; D238-F248 WeakPolarHBondContact CB-O 3.28Å; I239-F248 HydrophobicContact CB-CB 4.37Å; I239-F248 PolarHBondContact N-O 2.83Å; I239-F248 PolarHBondContact O-N 3.38Å; A246-F248 HydrophobicContact CB-CD2 4.42Å; A246-F248 HydrophobicContact CB-CE2 3.54Å; A246-F248 HydrophobicContact CB-CZ 3.61Å; F248-S250 PolarHBondContact O-N 3.45Å
249	A	92.2	Very high	92.1	Very high	56 Å²	56	29.3 Å²	29.3	46%	0.463	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-64.6	127.2	172.2	0	0	0	0	0	110.5	T99	T99-A249 HydrophobicContact CG2-CB 3.77Å
250	S	90.8	Very high	92	Very high	17 Å²	17	26.7 Å²	26.7	12%	0.119	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-76.8	153	170.5	-76	0	0	0	0	112.2	I237 D238 F248 R338	I237-S250 WeakPolarHBondContact O-CB 3.43Å; I237-S250 PolarHBondContact O-OG 2.97Å; D238-S250 WeakPolarHBondContact CA-OG 3.21Å; D238-S250 PolarHBondContact OD1-N 3.22Å; F248-S250 PolarHBondContact O-N 3.45Å; S250-R338 PolarHBondContact O-NH2 3.32Å
251	P	88.9	Confident	92	Very high	65 Å²	65	26.7 Å²	26.7	42%	0.422	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-63.2	157	167.5	29.3	-34.9	0	0	0	110.7	V253	P251-V253 HydrophobicContact CB-CG1 4.42Å; P251-V253 HydrophobicContact CG-CG1 4.2Å; P251-V253 PolarHBondContact O-N 3.14Å
252	I	89.7	Confident	92	Very high	49 Å²	49	30 Å²	30	25%	0.251	17%	0.166	S	C	.	.			trans	-77.4	110.3	173.2	-58.7	-58	0	0	0	108.6	V236 V268 L273 F283 P335	V236-I252 HydrophobicContact CG2-CD1 3.96Å; I252-V268 HydrophobicContact CG2-CG2 3.94Å; I252-L273 HydrophobicContact CG2-CD2 4.49Å; I252-F283 HydrophobicContact CG2-CD1 4.38Å; I252-F283 HydrophobicContact CG2-CE1 3.4Å; I252-F283 HydrophobicContact CG2-CZ 3.65Å; I252-P335 HydrophobicContact CD1-CB 4.01Å; I252-P335 HydrophobicContact CD1-CG 4.24Å
253	V	92.7	Very high	92.2	Very high	19 Å²	19	32.4 Å²	32.4	12%	0.115	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.6	-177.6	-70.4	0	0	0	0	109.8	P251 W265 D266 F283 I333	P251-V253 HydrophobicContact CB-CG1 4.42Å; P251-V253 HydrophobicContact CG-CG1 4.2Å; P251-V253 PolarHBondContact O-N 3.14Å; V253-W265 HydrophobicContact CB-CB 4.28Å; V253-W265 HydrophobicContact CB-CE3 4.09Å; V253-W265 HydrophobicContact CG2-CB 4.21Å; V253-W265 HydrophobicContact CG2-CD2 3.77Å; V253-W265 HydrophobicContact CG2-CE3 3.34Å; V253-W265 HydrophobicContact CG2-CG 4.16Å; V253-W265 HydrophobicContact CG2-CZ3 3.92Å; V253-D266 WeakPolarHBondContact CA-O 3.32Å; V253-D266 WeakPolarHBondContact CB-O 3.3Å; V253-F283 WeakPolarHBondContact O-CZ 3.45Å; V253-I333 WeakPolarHBondContact O-CD1 3.47Å
254	R	94.4	Very high	92.4	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	159	171.4	68.8	-176.8	-174	151.4	7.4	111.3	D266 V268 F283 I333 E417	R254-D266 HydrophobicContact CG-CB 4.24Å; R254-D266 PolarHBondContact N-O 2.83Å; R254-D266 PolarHBondContact O-N 3.07Å; R254-V268 HydrophobicContact CB-CG2 4.3Å; R254-F283 HydrophobicContact CB-CD2 4.27Å; R254-F283 HydrophobicContact CB-CE2 3.79Å; R254-I333 HydrophobicContact CB-CD1 4.38Å; R254-E417 IonicContact CZ-OE1 2.66Å; R254-E417 IonicContact CZ-OE2 2.73Å; R254-E417 IonicContact NH1-OE1 3.7Å; R254-E417 IonicContact NH1-OE2 3.05Å; R254-E417 IonicContact NH2-OE1 3.67Å; R254-E417 PolarHBondContact NH2-OE1 2.67Å; R254-E417 IonicContact NH2-OE2 3.19Å; R254-E417 PolarHBondContact NH2-OE2 3.29Å
255	G	96.6	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.4	176.5	0	0	0	0	0	112	S285 P286 T287	G255-S285 PolarHBondContact N-OG 3.01Å; G255-P286 WeakPolarHBondContact O-CB 3.26Å; G255-P286 WeakPolarHBondContact O-CD 3.49Å; G255-T287 WeakPolarHBondContact CA-O 3.45Å; G255-T287 WeakPolarHBondContact CA-OG1 3.2Å; G255-T287 PolarHBondContact O-N 3.2Å; G255-T287 VanDerWaalsContact O-N 3.11Å; G255-T287 PolarHBondContact O-OG1 3.22Å
256	G	96.3	Very high	92.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	-167.7	169.1	0	0	0	0	0	111.4	F263 K264 T287	G256-F263 WeakPolarHBondContact O-CD2 3.36Å; G256-K264 PolarHBondContact N-O 2.83Å; G256-K264 PolarHBondContact O-N 2.62Å; G256-K264 VanDerWaalsContact O-N 3.1Å; G256-T287 WeakPolarHBondContact CA-OG1 3.26Å; G256-T287 PolarHBondContact N-OG1 3.33Å; G256-T287 VanDerWaalsContact N-OG1 3.12Å; G256-T287 PolarHBondContact O-OG1 3.2Å
257	F	95.6	Very high	92.5	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	161.4	172	69	-73.9	0	0	0	111	L261 H262 K264 T287 L318 F322 F407 Y410 Y415 M418	F257-L261 HydrophobicContact CD2-CD2 3.99Å; F257-L261 HydrophobicContact CE2-CD2 4.09Å; F257-H262 CarbonylContact C-O 3.56Å; F257-H262 WeakPolarHBondContact CA-O 3.42Å; F257-H262 WeakPolarHBondContact CB-O 3.42Å; F257-K264 WeakPolarHBondContact O-CE 3.47Å; F257-T287 HydrophobicContact CD1-CG2 3.75Å; F257-T287 HydrophobicContact CE1-CG2 4.45Å; F257-L318 HydrophobicContact CB-CD1 3.92Å; F257-L318 HydrophobicContact CB-CD2 3.8Å; F257-L318 HydrophobicContact CD2-CD1 4.47Å; F257-L318 HydrophobicContact CG-CD1 4.35Å; F257-L318 HydrophobicContact CG-CD2 4.38Å; F257-F322 HydrophobicContact CD1-CE1 4.04Å; F257-F322 HydrophobicContact CD1-CZ 4.12Å; F257-F322 HydrophobicContact CD2-CZ 4.22Å; F257-F322 AromaticContact CE1-CE1 3.62Å; F257-F322 HydrophobicContact CE1-CE1 3.62Å; F257-F322 AromaticContact CE1-CZ 3.75Å; F257-F322 HydrophobicContact CE1-CZ 3.75Å; F257-F322 AromaticContact CE2-CZ 3.86Å; F257-F322 HydrophobicContact CE2-CZ 3.86Å; F257-F322 HydrophobicContact CG-CZ 4.37Å; F257-F322 AromaticContact CZ-CE1 3.93Å; F257-F322 HydrophobicContact CZ-CE1 3.93Å; F257-F322 AromaticContact CZ-CZ 3.63Å; F257-F322 HydrophobicContact CZ-CZ 3.63Å; F257-F407 HydrophobicContact CE2-CZ 4.37Å; F257-F407 AromaticContact CZ-CZ 3.78Å; F257-F407 HydrophobicContact CZ-CZ 3.78Å; F257-Y410 AromaticContact CE1-CE1 4Å; F257-Y410 HydrophobicContact CE1-CE1 4Å; F257-Y410 HydrophobicContact CZ-CE1 4.47Å; F257-Y415 HydrophobicContact CD1-CD1 4.12Å; F257-Y415 AromaticContact CD1-CE1 3.81Å; F257-Y415 HydrophobicContact CD1-CE1 3.81Å; F257-Y415 AromaticContact CE1-CD1 3.73Å; F257-Y415 HydrophobicContact CE1-CD1 3.73Å; F257-Y415 AromaticContact CE1-CE1 3.84Å; F257-Y415 HydrophobicContact CE1-CE1 3.84Å; F257-M418 HydrophobicContact CD1-SD 4.33Å; F257-M418 HydrophobicContact CD2-CE 3.74Å; F257-M418 HydrophobicContact CD2-SD 4.45Å; F257-M418 HydrophobicContact CE1-CE 4.15Å; F257-M418 HydrophobicContact CE1-SD 3.59Å; F257-M418 VanDerWaalsContact CE1-SD 3.59Å; F257-M418 HydrophobicContact CE2-CE 3.24Å; F257-M418 HydrophobicContact CE2-SD 3.73Å; F257-M418 HydrophobicContact CG-CE 4.36Å; F257-M418 HydrophobicContact CZ-CE 3.45Å; F257-M418 VanDerWaalsContact CZ-CE 3.45Å; F257-M418 HydrophobicContact CZ-SD 3.21Å; F257-M418 WeakPolarHBondContact CZ-SD 3.18Å
258	N	91.8	Very high	92.3	Very high	69 Å²	69	40 Å²	40	37%	0.369	21%	0.206	S	C	.	.			trans	-102.2	167.9	169.5	67.1	25.6	0	0	0	111	G260 L261 H262	N258-G260 PolarHBondContact O-N 3.27Å; N258-G260 VanDerWaalsContact O-N 3.09Å; N258-G260 WeakPolarHBondContact OD1-CA 3.12Å; N258-G260 PolarHBondContact OD1-N 3.01Å; N258-L261 WeakPolarHBondContact O-CA 3.49Å; N258-L261 PolarHBondContact O-N 2.85Å; N258-L261 PolarHBondContact OD1-N 2.81Å; N258-H262 PolarHBondContact N-O 3.05Å; N258-H262 PolarHBondContact OD1-N 2.86Å; N258-H262 VanDerWaalsContact OD1-N 3.09Å
259	W	91.4	Very high	92.2	Very high	49 Å²	49	36 Å²	36	19%	0.186	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.5	179.4	-69.5	117.2	0	0	0	114.3	L261 M370 F373 Q376 Y377 L380 F407 L411 M418	W259-L261 PolarHBondContact O-N 3.14Å; W259-M370 HydrophobicContact CE3-CE 4.22Å; W259-M370 HydrophobicContact CZ3-CE 3.98Å; W259-F373 HydrophobicContact CH2-CB 4.38Å; W259-F373 AromaticContact CH2-CD1 3.94Å; W259-F373 HydrophobicContact CH2-CD1 3.94Å; W259-F373 HydrophobicContact CZ3-CB 4.17Å; W259-Q376 HydrophobicContact CB-CB 4.42Å; W259-Q376 HydrophobicContact CD2-CB 3.7Å; W259-Q376 HydrophobicContact CD2-CG 4.15Å; W259-Q376 HydrophobicContact CE3-CB 3.4Å; W259-Q376 HydrophobicContact CE3-CG 3.94Å; W259-Q376 HydrophobicContact CG-CB 4.16Å; W259-Q376 HydrophobicContact CH2-CG 4.22Å; W259-Q376 HydrophobicContact CZ2-CG 4.41Å; W259-Q376 HydrophobicContact CZ3-CB 3.88Å; W259-Q376 HydrophobicContact CZ3-CG 3.97Å; W259-Y377 WeakPolarHBondContact O-CA 3.41Å; W259-Y377 WeakPolarHBondContact O-CD2 3.44Å; W259-L380 HydrophobicContact CB-CD1 3.63Å; W259-F407 HydrophobicContact CH2-CE1 4.46Å; W259-F407 HydrophobicContact CZ3-CE1 4.29Å; W259-L411 HydrophobicContact CH2-CD1 4.01Å; W259-M418 HydrophobicContact CD2-CE 3.51Å; W259-M418 VanDerWaalsContact CE2-CE 3.49Å; W259-M418 HydrophobicContact CE3-CE 3.79Å; W259-M418 HydrophobicContact CG-CE 4.03Å; W259-M418 HydrophobicContact CH2-CE 4.03Å; W259-M418 HydrophobicContact CH2-SD 4.34Å; W259-M418 HydrophobicContact CZ2-CE 3.77Å; W259-M418 HydrophobicContact CZ2-CG 4.43Å; W259-M418 HydrophobicContact CZ2-SD 4.17Å; W259-M418 HydrophobicContact CZ3-CE 4.04Å
260	G	92.1	Very high	91.8	Very high	12 Å²	12	38.7 Å²	38.7	12%	0.124	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	4.9	167.2	0	0	0	0	0	113.9	N258 H262	N258-G260 PolarHBondContact O-N 3.27Å; N258-G260 VanDerWaalsContact O-N 3.09Å; N258-G260 WeakPolarHBondContact OD1-CA 3.12Å; N258-G260 PolarHBondContact OD1-N 3.01Å; G260-H262 PolarHBondContact O-CD2 3.08Å; G260-H262 PolarHBondContact O-N 2.71Å
261	L	95	Very high	91.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	58.8	31.8	-176.6	-58.5	178.4	0	0	0	113.5	F257 N258 W259 L318 M358 L365 A366 M370 Y377	F257-L261 HydrophobicContact CD2-CD2 3.99Å; F257-L261 HydrophobicContact CE2-CD2 4.09Å; N258-L261 WeakPolarHBondContact O-CA 3.49Å; N258-L261 PolarHBondContact O-N 2.85Å; N258-L261 PolarHBondContact OD1-N 2.81Å; W259-L261 PolarHBondContact O-N 3.14Å; L261-L318 HydrophobicContact CB-CD1 4.14Å; L261-L318 HydrophobicContact CD2-CD1 4.43Å; L261-L318 WeakPolarHBondContact O-CD1 3.38Å; L261-M358 WeakPolarHBondContact O-CE 3.29Å; L261-L365 HydrophobicContact CD1-CD1 3.97Å; L261-L365 HydrophobicContact CD1-CD2 4.44Å; L261-L365 HydrophobicContact CD1-CG 4.25Å; L261-L365 HydrophobicContact CD2-CD1 4.27Å; L261-A366 HydrophobicContact CD1-CB 4.15Å; L261-M370 HydrophobicContact CD1-SD 3.95Å; L261-M370 HydrophobicContact CD2-CE 3.93Å; L261-M370 HydrophobicContact CD2-SD 3.66Å; L261-M370 HydrophobicContact CG-SD 4.38Å; L261-Y377 HydrophobicContact CB-CD2 4.26Å; L261-Y377 HydrophobicContact CB-CE2 4.25Å; L261-Y377 HydrophobicContact CD1-CD1 3.83Å; L261-Y377 HydrophobicContact CD1-CD2 3.73Å; L261-Y377 HydrophobicContact CD1-CE1 4.09Å; L261-Y377 HydrophobicContact CD1-CE2 3.99Å; L261-Y377 HydrophobicContact CD1-CG 3.64Å; L261-Y377 HydrophobicContact CG-CD2 3.7Å; L261-Y377 HydrophobicContact CG-CE2 4.12Å; L261-Y377 HydrophobicContact CG-CG 3.98Å
262	H	92.6	Very high	91.1	Very high	93 Å²	93	41.6 Å²	41.6	43%	0.431	23%	0.225	S	C	.	.			trans	-95.6	133.8	168.6	-59.2	-66.8	0	0	0	110.3	F257 N258 G260	F257-H262 CarbonylContact C-O 3.56Å; F257-H262 WeakPolarHBondContact CA-O 3.42Å; F257-H262 WeakPolarHBondContact CB-O 3.42Å; N258-H262 PolarHBondContact N-O 3.05Å; N258-H262 PolarHBondContact OD1-N 2.86Å; N258-H262 VanDerWaalsContact OD1-N 3.09Å; G260-H262 PolarHBondContact O-CD2 3.08Å; G260-H262 PolarHBondContact O-N 2.71Å
263	F	95.2	Very high	90.8	Very high	57 Å²	57	41.8 Å²	41.8	25%	0.25	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	143	169.6	176.1	-94.1	0	0	0	110.9	G256 W265 M288 A289	G256-F263 WeakPolarHBondContact O-CD2 3.36Å; F263-W265 AromaticContact CE1-CD2 3.7Å; F263-W265 HydrophobicContact CE1-CD2 3.7Å; F263-W265 AromaticContact CE1-CE2 3.47Å; F263-W265 VanDerWaalsContact CE1-CE2 3.47Å; F263-W265 HydrophobicContact CE1-CE3 4.19Å; F263-W265 HydrophobicContact CE1-CG 4.11Å; F263-W265 HydrophobicContact CE1-CH2 4.3Å; F263-W265 AromaticContact CE1-CZ2 3.8Å; F263-W265 HydrophobicContact CE1-CZ2 3.8Å; F263-W265 HydrophobicContact CE1-CZ3 4.48Å; F263-W265 AromaticContact CE1-NE1 3.72Å; F263-W265 AromaticContact CZ-CD2 3.71Å; F263-W265 HydrophobicContact CZ-CD2 3.71Å; F263-W265 AromaticContact CZ-CE2 3.76Å; F263-W265 AromaticContact CZ-CE3 3.7Å; F263-W265 HydrophobicContact CZ-CE3 3.7Å; F263-W265 HydrophobicContact CZ-CG 4.45Å; F263-W265 AromaticContact CZ-CH2 3.84Å; F263-W265 HydrophobicContact CZ-CH2 3.84Å; F263-W265 AromaticContact CZ-CZ2 3.83Å; F263-W265 HydrophobicContact CZ-CZ2 3.83Å; F263-W265 AromaticContact CZ-CZ3 3.78Å; F263-W265 HydrophobicContact CZ-CZ3 3.78Å; F263-M288 WeakPolarHBondContact CD2-O 3.13Å; F263-M288 VanDerWaalsContact CE2-C 3.43Å; F263-M288 WeakPolarHBondContact CE2-O 3.39Å; F263-A289 HydrophobicContact CE1-CB 4.12Å; F263-A289 HydrophobicContact CE2-CB 4.29Å; F263-A289 HydrophobicContact CZ-CB 3.86Å
264	K	92.1	Very high	90.1	Very high	69 Å²	69	45.4 Å²	45.4	30%	0.3	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158.2	170.3	60.2	170.6	176.6	129.4	0	110.3	G256 F257 D266 Y415	G256-K264 PolarHBondContact N-O 2.83Å; G256-K264 PolarHBondContact O-N 2.62Å; G256-K264 VanDerWaalsContact O-N 3.1Å; F257-K264 WeakPolarHBondContact O-CE 3.47Å; K264-D266 WeakPolarHBondContact CD-OD1 3.27Å; K264-D266 WeakPolarHBondContact CE-OD1 3.37Å; K264-D266 VanDerWaalsContact NZ-CG 3.3Å; K264-D266 IonicContact NZ-OD1 2.8Å; K264-D266 PolarHBondContact NZ-OD1 3.43Å; K264-D266 IonicContact NZ-OD2 3.6Å; K264-D266 PolarHBondContact NZ-OD2 2.94Å; K264-Y415 VanDerWaalsContact CE-OH 3.25Å; K264-Y415 WeakPolarHBondContact CE-OH 3.39Å; K264-Y415 PolarHBondContact NZ-OH 3.33Å; K264-Y415 VanDerWaalsContact NZ-OH 3.13Å
265	W	92.4	Very high	89.4	Confident	99 Å²	99	46.8 Å²	46.8	38%	0.375	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.8	168.5	-64.5	111.5	0	0	0	109.8	I237 V253 F263 A289	I237-W265 HydrophobicContact CD1-CH2 4.25Å; I237-W265 HydrophobicContact CD1-CZ2 4.43Å; V253-W265 HydrophobicContact CB-CB 4.28Å; V253-W265 HydrophobicContact CB-CE3 4.09Å; V253-W265 HydrophobicContact CG2-CB 4.21Å; V253-W265 HydrophobicContact CG2-CD2 3.77Å; V253-W265 HydrophobicContact CG2-CE3 3.34Å; V253-W265 HydrophobicContact CG2-CG 4.16Å; V253-W265 HydrophobicContact CG2-CZ3 3.92Å; F263-W265 AromaticContact CE1-CD2 3.7Å; F263-W265 HydrophobicContact CE1-CD2 3.7Å; F263-W265 AromaticContact CE1-CE2 3.47Å; F263-W265 VanDerWaalsContact CE1-CE2 3.47Å; F263-W265 HydrophobicContact CE1-CE3 4.19Å; F263-W265 HydrophobicContact CE1-CG 4.11Å; F263-W265 HydrophobicContact CE1-CH2 4.3Å; F263-W265 AromaticContact CE1-CZ2 3.8Å; F263-W265 HydrophobicContact CE1-CZ2 3.8Å; F263-W265 HydrophobicContact CE1-CZ3 4.48Å; F263-W265 AromaticContact CE1-NE1 3.72Å; F263-W265 AromaticContact CZ-CD2 3.71Å; F263-W265 HydrophobicContact CZ-CD2 3.71Å; F263-W265 AromaticContact CZ-CE2 3.76Å; F263-W265 AromaticContact CZ-CE3 3.7Å; F263-W265 HydrophobicContact CZ-CE3 3.7Å; F263-W265 HydrophobicContact CZ-CG 4.45Å; F263-W265 AromaticContact CZ-CH2 3.84Å; F263-W265 HydrophobicContact CZ-CH2 3.84Å; F263-W265 AromaticContact CZ-CZ2 3.83Å; F263-W265 HydrophobicContact CZ-CZ2 3.83Å; F263-W265 AromaticContact CZ-CZ3 3.78Å; F263-W265 HydrophobicContact CZ-CZ3 3.78Å; W265-A289 HydrophobicContact CH2-CB 3.94Å; W265-A289 HydrophobicContact CZ2-CB 3.95Å
266	D	91	Very high	88.5	Confident	21 Å²	21	53.6 Å²	53.6	11%	0.112	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151	174.3	-80.8	-4.8	0	0	0	110.6	V253 R254 K264 Y415	V253-D266 WeakPolarHBondContact CA-O 3.32Å; V253-D266 WeakPolarHBondContact CB-O 3.3Å; R254-D266 HydrophobicContact CG-CB 4.24Å; R254-D266 PolarHBondContact N-O 2.83Å; R254-D266 PolarHBondContact O-N 3.07Å; K264-D266 WeakPolarHBondContact CD-OD1 3.27Å; K264-D266 WeakPolarHBondContact CE-OD1 3.37Å; K264-D266 VanDerWaalsContact NZ-CG 3.3Å; K264-D266 IonicContact NZ-OD1 2.8Å; K264-D266 PolarHBondContact NZ-OD1 3.43Å; K264-D266 IonicContact NZ-OD2 3.6Å; K264-D266 PolarHBondContact NZ-OD2 2.94Å; D266-Y415 WeakPolarHBondContact OD2-CE2 3.23Å; D266-Y415 VanDerWaalsContact OD2-CZ 3.31Å; D266-Y415 PolarHBondContact OD2-OH 2.9Å
267	P	89.1	Confident	87.8	Confident	30 Å²	30	57 Å²	57	20%	0.195	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	149.3	170	27.9	-34.1	0	0	0	110.6	P429	P267-P429 HydrophobicContact CB-CB 4.22Å; P267-P429 HydrophobicContact CG-CB 3.71Å; P267-P429 HydrophobicContact CG-CG 3.53Å
268	V	89.4	Confident	87.3	Confident	14 Å²	14	57.6 Å²	57.6	9%	0.085	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-78.6	129.7	174.6	-174.4	0	0	0	0	109	I252 R254 D272 L273 F283	I252-V268 HydrophobicContact CG2-CG2 3.94Å; R254-V268 HydrophobicContact CB-CG2 4.3Å; V268-D272 HydrophobicContact CG1-CB 3.8Å; V268-L273 HydrophobicContact CB-CD1 4.17Å; V268-L273 HydrophobicContact CB-CD2 4.29Å; V268-L273 HydrophobicContact CB-CG 4.24Å; V268-L273 HydrophobicContact CG1-CD1 4.29Å; V268-L273 HydrophobicContact CG1-CD2 3.8Å; V268-L273 HydrophobicContact CG1-CG 3.81Å; V268-F283 HydrophobicContact CG1-CB 4.4Å; V268-F283 HydrophobicContact CG1-CD2 3.99Å; V268-F283 HydrophobicContact CG1-CE2 4.43Å; V268-F283 HydrophobicContact CG1-CG 4.06Å; V268-F283 HydrophobicContact CG2-CD2 3.97Å; V268-F283 HydrophobicContact CG2-CE1 4.29Å; V268-F283 HydrophobicContact CG2-CE2 3.56Å; V268-F283 HydrophobicContact CG2-CZ 3.74Å
269	P	86.6	Confident	86.9	Confident	26 Å²	26	55.9 Å²	55.9	17%	0.169	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-54.9	136.9	174.7	-26.8	35.3	0	0	0	111.3	A271 D272	P269-A271 PolarHBondContact O-N 3.02Å; P269-A271 VanDerWaalsContact O-N 3.08Å; P269-D272 PolarHBondContact O-N 3.28Å
270	P	84.1	Confident	86.8	Confident	111 Å²	111	53.6 Å²	53.6	72%	0.721	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-56	-30.2	-179.6	-28.1	35.3	0	0	0	114.1	D272 L273 S274	P270-D272 VanDerWaalsContact C-N 3.25Å; P270-D272 PolarHBondContact O-N 2.77Å; P270-L273 PolarHBondContact O-N 2.94Å; P270-L273 VanDerWaalsContact O-N 3.11Å; P270-S274 PolarHBondContact O-N 2.91Å
271	A	82.7	Confident	86.7	Confident	77 Å²	77	53.5 Å²	53.5	64%	0.636	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-62.9	-29.4	176.4	0	0	0	0	0	113.3	P269 L273 S274	P269-A271 PolarHBondContact O-N 3.02Å; P269-A271 VanDerWaalsContact O-N 3.08Å; A271-L273 VanDerWaalsContact C-N 3.28Å; A271-S274 PolarHBondContact O-OG 2.74Å; A271-S274 VanDerWaalsContact O-OG 3.06Å
272	D	82.6	Confident	86.7	Confident	66 Å²	66	56.3 Å²	56.3	35%	0.353	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-81.5	-10.1	177.6	-66.6	-25.4	0	0	0	112.2	V268 P269 P270 F283	V268-D272 HydrophobicContact CG1-CB 3.8Å; P269-D272 PolarHBondContact O-N 3.28Å; P270-D272 VanDerWaalsContact C-N 3.25Å; P270-D272 PolarHBondContact O-N 2.77Å; D272-F283 HydrophobicContact CB-CB 4.14Å
273	L	83.3	Confident	86.8	Confident	53 Å²	53	52.1 Å²	52.1	28%	0.277	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-109.2	-0.4	-178.8	-59.6	178.9	0	0	0	113.5	I252 V268 P270 A271 G278 A279	I252-L273 HydrophobicContact CG2-CD2 4.49Å; V268-L273 HydrophobicContact CB-CD1 4.17Å; V268-L273 HydrophobicContact CB-CD2 4.29Å; V268-L273 HydrophobicContact CB-CG 4.24Å; V268-L273 HydrophobicContact CG1-CD1 4.29Å; V268-L273 HydrophobicContact CG1-CD2 3.8Å; V268-L273 HydrophobicContact CG1-CG 3.81Å; P270-L273 PolarHBondContact O-N 2.94Å; P270-L273 VanDerWaalsContact O-N 3.11Å; A271-L273 VanDerWaalsContact C-N 3.28Å; L273-G278 CarbonylContact O-C 3.59Å; L273-G278 WeakPolarHBondContact O-CA 3.36Å; L273-A279 HydrophobicContact CD2-CB 4.46Å
274	S	78.4	Confident	86.8	Confident	95 Å²	95	54.4 Å²	54.4	66%	0.664	33%	0.33	S	S	*	.			trans	-93	-0.8	-174.6	61.6	0	0	0	0	114.4	P270 A271	P270-S274 PolarHBondContact O-N 2.91Å; A271-S274 PolarHBondContact O-OG 2.74Å; A271-S274 VanDerWaalsContact O-OG 3.06Å
275	G	79	Confident	87.1	Confident	40 Å²	40	51.2 Å²	51.2	41%	0.412	32%	0.316	S	S	.	.	S	Bend	trans	-67.2	174.5	177	0	0	0	0	0	113.7	D277 G278	G275-D277 PolarHBondContact O-N 3.21Å; G275-G278 WeakPolarHBondContact O-CA 3.43Å; G275-G278 PolarHBondContact O-N 2.79Å
276	P	78.6	Confident	87.3	Confident	143 Å²	143	46.5 Å²	46.5	93%	0.929	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.2	-178.1	-24	33.1	0	0	0	113.8	G278	P276-G278 VanDerWaalsContact C-N 3.26Å; P276-G278 PolarHBondContact O-N 3.1Å
277	D	80.6	Confident	87.7	Confident	73 Å²	73	45.5 Å²	45.5	39%	0.39	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.6	176.8	-76.5	-15.5	0	0	0	113.4	R103 K107 G275 A279 A280 G281	R103-D277 PolarHBondContact NH1-O 3Å; K107-D277 VanDerWaalsContact NZ-CG 3.33Å; K107-D277 IonicContact NZ-OD1 2.77Å; K107-D277 IonicContact NZ-OD2 3.83Å; K107-D277 PolarHBondContact NZ-OD2 3.43Å; G275-D277 PolarHBondContact O-N 3.21Å; D277-A279 PolarHBondContact O-N 2.87Å; D277-A280 WeakPolarHBondContact O-CA 3.47Å; D277-A280 WeakPolarHBondContact O-CB 3.42Å; D277-A280 PolarHBondContact O-N 3.36Å; D277-G281 VanDerWaalsContact CB-CA 3.49Å; D277-G281 PolarHBondContact O-N 3.5Å
278	G	84.9	Confident	88.1	Confident	12 Å²	12	44.3 Å²	44.3	12%	0.124	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	43.9	-133.4	-172.4	0	0	0	0	0	113.1	L273 G275 P276 A280 G281	L273-G278 CarbonylContact O-C 3.59Å; L273-G278 WeakPolarHBondContact O-CA 3.36Å; G275-G278 WeakPolarHBondContact O-CA 3.43Å; G275-G278 PolarHBondContact O-N 2.79Å; P276-G278 VanDerWaalsContact C-N 3.26Å; P276-G278 PolarHBondContact O-N 3.1Å; G278-A280 PolarHBondContact O-N 2.87Å; G278-G281 PolarHBondContact O-N 2.67Å
279	A	83.9	Confident	88.4	Confident	33 Å²	33	45.2 Å²	45.2	27%	0.273	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-65.7	-2.7	176.6	0	0	0	0	0	116.2	L273 D277 P335	L273-A279 HydrophobicContact CD2-CB 4.46Å; D277-A279 PolarHBondContact O-N 2.87Å; A279-P335 VanDerWaalsContact O-CB 3.27Å; A279-P335 WeakPolarHBondContact O-CB 3.25Å; A279-P335 VanDerWaalsContact O-CG 3.26Å; A279-P335 WeakPolarHBondContact O-CG 3.41Å
280	A	88.4	Confident	88.6	Confident	1 Å²	1	44 Å²	44	1%	0.008	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-97.3	-2	172.4	0	0	0	0	0	112.7	D101 R103 K107 D277 G278 C336	D101-A280 HydrophobicContact CB-CB 4.34Å; R103-A280 HydrophobicContact CB-CB 4.06Å; K107-A280 PolarHBondContact NZ-O 2.84Å; D277-A280 WeakPolarHBondContact O-CA 3.47Å; D277-A280 WeakPolarHBondContact O-CB 3.42Å; D277-A280 PolarHBondContact O-N 3.36Å; G278-A280 PolarHBondContact O-N 2.87Å; A280-C336 PolarHBondContact O-SG 3.19Å; A280-C336 VanDerWaalsContact O-SG 3.39Å
281	G	90.7	Very high	88.9	Confident	10 Å²	10	39.2 Å²	39.2	10%	0.103	26%	0.257	C	S	.	.	S	Bend	trans	-83.4	151.1	177.4	0	0	0	0	0	112.4	D277 G278 P335	D277-G281 VanDerWaalsContact CB-CA 3.49Å; D277-G281 PolarHBondContact O-N 3.5Å; G278-G281 PolarHBondContact O-N 2.67Å; G281-P335 WeakPolarHBondContact O-CD 3.32Å; G281-P335 WeakPolarHBondContact O-CG 3.22Å
282	P	94.3	Very high	89.7	Confident	60 Å²	60	35.7 Å²	35.7	39%	0.39	23%	0.228	S	C	.	.			trans	-59.8	142.3	167.5	-19	31.9	0	0	0	111.2	L332 I333 V334	P282-L332 HydrophobicContact CB-CD1 4.29Å; P282-I333 WeakPolarHBondContact CA-O 3.24Å; P282-V334 HydrophobicContact CB-CG2 3.92Å; P282-V334 HydrophobicContact CG-CG2 4.04Å
283	F	95.1	Very high	90.5	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.022	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.3	174	57.7	-94.3	0	0	0	111.7	I252 V253 R254 V268 D272 L332 I333 P335	I252-F283 HydrophobicContact CG2-CD1 4.38Å; I252-F283 HydrophobicContact CG2-CE1 3.4Å; I252-F283 HydrophobicContact CG2-CZ 3.65Å; V253-F283 WeakPolarHBondContact O-CZ 3.45Å; R254-F283 HydrophobicContact CB-CD2 4.27Å; R254-F283 HydrophobicContact CB-CE2 3.79Å; V268-F283 HydrophobicContact CG1-CB 4.4Å; V268-F283 HydrophobicContact CG1-CD2 3.99Å; V268-F283 HydrophobicContact CG1-CE2 4.43Å; V268-F283 HydrophobicContact CG1-CG 4.06Å; V268-F283 HydrophobicContact CG2-CD2 3.97Å; V268-F283 HydrophobicContact CG2-CE1 4.29Å; V268-F283 HydrophobicContact CG2-CE2 3.56Å; V268-F283 HydrophobicContact CG2-CZ 3.74Å; D272-F283 HydrophobicContact CB-CB 4.14Å; F283-L332 CarbonylContact O-C 3.53Å; F283-L332 VanDerWaalsContact O-CA 3.32Å; F283-L332 WeakPolarHBondContact O-CA 3.39Å; F283-I333 HydrophobicContact CD2-CB 4.32Å; F283-I333 HydrophobicContact CE1-CB 4.28Å; F283-I333 HydrophobicContact CE1-CG2 4.05Å; F283-I333 HydrophobicContact CE2-CB 3.67Å; F283-I333 HydrophobicContact CE2-CD1 3.91Å; F283-I333 HydrophobicContact CE2-CG1 4.33Å; F283-I333 HydrophobicContact CE2-CG2 4.07Å; F283-I333 HydrophobicContact CZ-CB 3.65Å; F283-I333 HydrophobicContact CZ-CD1 4.3Å; F283-I333 HydrophobicContact CZ-CG2 3.52Å; F283-I333 PolarHBondContact N-O 2.76Å; F283-I333 PolarHBondContact O-N 3.04Å; F283-P335 HydrophobicContact CD1-CG 4.13Å; F283-P335 HydrophobicContact CE1-CG 3.7Å
284	R	95.8	Very high	91.2	Very high	105 Å²	105	30.1 Å²	30.1	40%	0.396	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.3	-177.2	-64.1	177.8	69.5	-159.1	0.3	110.9	W325 L332	R284-W325 HydrophobicContact CB-CH2 4.36Å; R284-W325 HydrophobicContact CB-CZ2 4.25Å; R284-W325 HydrophobicContact CG-CH2 4.16Å; R284-W325 VanDerWaalsContact NH2-CH2 3.27Å; R284-L332 HydrophobicContact CG-CD2 3.94Å
285	S	97.8	Very high	92.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	17%	0.166	C	C	.	.			trans	-119.7	124	176.4	-166.1	0	0	0	0	110.5	G255 T287 W325 L331	G255-S285 PolarHBondContact N-OG 3.01Å; S285-T287 VanDerWaalsContact C-N 3.26Å; S285-T287 WeakPolarHBondContact CB-O 3.45Å; S285-T287 PolarHBondContact O-N 2.72Å; S285-T287 PolarHBondContact OG-O 3.35Å; S285-W325 PolarHBondContact O-NE1 3.07Å; S285-L331 PolarHBondContact N-O 3.38Å
286	P	98.1	Very high	93.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	15%	0.152	C	C	.	.	S	Bend	trans	-55.4	-41.4	174.7	-28.7	33.6	0	0	0	113.5	G255 W325 Y410 V414 Y415	G255-P286 WeakPolarHBondContact O-CB 3.26Å; G255-P286 WeakPolarHBondContact O-CD 3.49Å; P286-W325 PolarHBondContact O-NE1 2.79Å; P286-Y410 VanDerWaalsContact C-OH 3.31Å; P286-Y410 PolarHBondContact O-OH 3.27Å; P286-V414 HydrophobicContact CB-CG1 4.43Å; P286-Y415 HydrophobicContact CB-CD1 3.9Å; P286-Y415 HydrophobicContact CB-CD2 4.09Å; P286-Y415 HydrophobicContact CB-CE1 4.46Å; P286-Y415 HydrophobicContact CB-CG 3.71Å; P286-Y415 HydrophobicContact CG-CD1 4.33Å; P286-Y415 HydrophobicContact CG-CD2 3.59Å; P286-Y415 HydrophobicContact CG-CE2 4.12Å; P286-Y415 HydrophobicContact CG-CG 3.71Å
287	T	98.6	Very high	94.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-135.8	167.7	178.7	70.7	0	0	0	0	111.6	G255 G256 F257 S285 L318 S321 F322 L331	G255-T287 WeakPolarHBondContact CA-O 3.45Å; G255-T287 WeakPolarHBondContact CA-OG1 3.2Å; G255-T287 PolarHBondContact O-N 3.2Å; G255-T287 VanDerWaalsContact O-N 3.11Å; G255-T287 PolarHBondContact O-OG1 3.22Å; G256-T287 WeakPolarHBondContact CA-OG1 3.26Å; G256-T287 PolarHBondContact N-OG1 3.33Å; G256-T287 VanDerWaalsContact N-OG1 3.12Å; G256-T287 PolarHBondContact O-OG1 3.2Å; F257-T287 HydrophobicContact CD1-CG2 3.75Å; F257-T287 HydrophobicContact CE1-CG2 4.45Å; S285-T287 VanDerWaalsContact C-N 3.26Å; S285-T287 WeakPolarHBondContact CB-O 3.45Å; S285-T287 PolarHBondContact O-N 2.72Å; S285-T287 PolarHBondContact OG-O 3.35Å; T287-L318 HydrophobicContact CG2-CD2 3.73Å; T287-S321 WeakPolarHBondContact CA-OG 3.21Å; T287-F322 HydrophobicContact CG2-CE1 4.22Å; T287-L331 VanDerWaalsContact C-CD2 3.47Å
288	M	98	Very high	94.9	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.02	13%	0.128	C	C	.	.			trans	-110.9	154.6	169.4	63.4	179.5	75.2	0	0	110.9	V232 F263 G290 F293 N317 I320 S321 I324 L331	V232-M288 HydrophobicContact CG1-CE 3.84Å; F263-M288 WeakPolarHBondContact CD2-O 3.13Å; F263-M288 VanDerWaalsContact CE2-C 3.43Å; F263-M288 WeakPolarHBondContact CE2-O 3.39Å; M288-G290 PolarHBondContact O-N 3.27Å; M288-F293 HydrophobicContact SD-CB 4.47Å; M288-F293 HydrophobicContact SD-CD1 3.97Å; M288-F293 HydrophobicContact SD-CE1 4.36Å; M288-F293 HydrophobicContact SD-CG 4.13Å; M288-N317 HydrophobicContact CG-CB 4.44Å; M288-N317 PolarHBondContact O-ND2 3.09Å; M288-I320 HydrophobicContact CE-CG2 3.99Å; M288-I320 HydrophobicContact SD-CG2 3.87Å; M288-S321 PolarHBondContact N-OG 3.33Å; M288-I324 HydrophobicContact CE-CD1 3.61Å; M288-L331 HydrophobicContact CB-CD1 4.45Å; M288-L331 HydrophobicContact CB-CD2 4.03Å; M288-L331 HydrophobicContact CE-CD1 3.6Å; M288-L331 HydrophobicContact CE-CD2 4.03Å; M288-L331 HydrophobicContact CE-CG 4.48Å
289	A	95.5	Very high	95.6	Very high	33 Å²	33	23.5 Å²	23.5	27%	0.273	12%	0.123	S	C	.	.			trans	-62.1	-29.4	167.9	0	0	0	0	0	111.5	I237 F263 W265	I237-A289 HydrophobicContact CD1-CB 3.84Å; F263-A289 HydrophobicContact CE1-CB 4.12Å; F263-A289 HydrophobicContact CE2-CB 4.29Å; F263-A289 HydrophobicContact CZ-CB 3.86Å; W265-A289 HydrophobicContact CH2-CB 3.94Å; W265-A289 HydrophobicContact CZ2-CB 3.95Å
290	G	91	Very high	96.3	Very high	1 Å²	1	22 Å²	22	1%	0.01	11%	0.11	C	C	.	.	S	Bend	trans	98.6	-32.1	174.2	0	0	0	0	0	113.7	R192 M288 L292	R192-G290 PolarHBondContact NH1-O 3.05Å; R192-G290 PolarHBondContact NH2-O 2.47Å; M288-G290 PolarHBondContact O-N 3.27Å; G290-L292 PolarHBondContact O-N 3.18Å
291	G	90.4	Very high	96.8	Very high	10 Å²	10	25.1 Å²	25.1	10%	0.103	12%	0.124	C	C	.	.	S	Bend	trans	-54.8	-47.5	-179.2	0	0	0	0	0	114.1	R192 D208	R192-G291 VanDerWaalsContact NH2-CA 3.27Å; R192-G291 PolarHBondContact NH2-O 2.73Å; D208-G291 WeakPolarHBondContact OD2-CA 3.39Å
292	L	98.3	Very high	97.1	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	-132.8	119.1	-167.5	-60.9	77.2	0	0	0	111.3	F206 L207 P235 I237 G290 V339	F206-L292 VanDerWaalsContact O-CA 3.31Å; F206-L292 WeakPolarHBondContact O-CA 3.19Å; L207-L292 HydrophobicContact CD2-CB 4.21Å; L207-L292 HydrophobicContact CD2-CD2 3.65Å; L207-L292 HydrophobicContact CD2-CG 3.82Å; P235-L292 WeakPolarHBondContact CD-O 3.33Å; P235-L292 HydrophobicContact CG-CB 3.85Å; P235-L292 HydrophobicContact CG-CD2 4.25Å; I237-L292 HydrophobicContact CD1-CD1 4.09Å; I237-L292 HydrophobicContact CG1-CD1 4.44Å; G290-L292 PolarHBondContact O-N 3.18Å; L292-V339 HydrophobicContact CD2-CB 3.5Å; L292-V339 HydrophobicContact CD2-CG1 3.31Å; L292-V339 HydrophobicContact CD2-CG2 4.16Å
293	F	98.8	Very high	97.3	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	158.6	174.9	67.6	-80.7	0	0	0	112.5	V205 F206 V232 V233 M288 M295 Y306	V205-F293 CarbonylContact C-O 3.57Å; V205-F293 WeakPolarHBondContact CA-O 3.35Å; F206-F293 HydrophobicContact CB-CD1 4.17Å; F206-F293 HydrophobicContact CB-CE1 3.94Å; F206-F293 HydrophobicContact CB-CZ 4.46Å; F206-F293 HydrophobicContact CD2-CD1 4.16Å; F206-F293 HydrophobicContact CD2-CD2 4.1Å; F206-F293 AromaticContact CD2-CE1 3.53Å; F206-F293 HydrophobicContact CD2-CE1 3.53Å; F206-F293 AromaticContact CD2-CE2 3.48Å; F206-F293 HydrophobicContact CD2-CE2 3.48Å; F206-F293 VanDerWaalsContact CD2-CE2 3.48Å; F206-F293 HydrophobicContact CD2-CG 4.41Å; F206-F293 AromaticContact CD2-CZ 3.16Å; F206-F293 HydrophobicContact CD2-CZ 3.16Å; F206-F293 HydrophobicContact CE2-CE1 4.28Å; F206-F293 AromaticContact CE2-CE2 3.72Å; F206-F293 HydrophobicContact CE2-CE2 3.72Å; F206-F293 AromaticContact CE2-CZ 3.5Å; F206-F293 HydrophobicContact CE2-CZ 3.5Å; F206-F293 VanDerWaalsContact CE2-CZ 3.5Å; F206-F293 AromaticContact CG-CE1 3.93Å; F206-F293 HydrophobicContact CG-CE1 3.93Å; F206-F293 AromaticContact CG-CZ 3.98Å; F206-F293 HydrophobicContact CG-CZ 3.98Å; F206-F293 PolarHBondContact N-O 3.47Å; F206-F293 PolarHBondContact O-N 3.21Å; V232-F293 HydrophobicContact CG1-CB 4.35Å; V232-F293 HydrophobicContact CG1-CD2 3.75Å; V232-F293 HydrophobicContact CG1-CG 4.41Å; V233-F293 CarbonylContact O-C 3.59Å; V233-F293 VanDerWaalsContact O-CA 3.28Å; V233-F293 WeakPolarHBondContact O-CA 3.12Å; M288-F293 HydrophobicContact SD-CB 4.47Å; M288-F293 HydrophobicContact SD-CD1 3.97Å; M288-F293 HydrophobicContact SD-CE1 4.36Å; M288-F293 HydrophobicContact SD-CG 4.13Å; F293-M295 HydrophobicContact CD2-CB 4.28Å; F293-M295 HydrophobicContact CE2-CB 4.3Å; F293-Y306 VanDerWaalsContact CE1-OH 3.25Å; F293-Y306 WeakPolarHBondContact CE1-OH 3.21Å; F293-Y306 WeakPolarHBondContact CZ-OH 3.36Å
294	A	98.9	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.1	173.7	0	0	0	0	0	110.7	V203 L204 V205 L221 V233	V203-A294 HydrophobicContact CG1-CB 4.16Å; L204-A294 CarbonylContact O-C 3.57Å; L204-A294 VanDerWaalsContact O-CA 3.23Å; L204-A294 WeakPolarHBondContact O-CA 3.33Å; V205-A294 HydrophobicContact CG2-CB 3.93Å; L221-A294 HydrophobicContact CB-CB 3.93Å; L221-A294 HydrophobicContact CD1-CB 4.44Å; V233-A294 PolarHBondContact N-O 3.32Å; V233-A294 PolarHBondContact O-N 3.13Å
295	M	98.7	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	144.7	-179	-179.5	173.8	-174.6	0	0	110.7	V203 L204 V232 F293 R297 Y299 F300 L303	V203-M295 WeakPolarHBondContact CG1-O 3.45Å; L204-M295 PolarHBondContact N-O 2.95Å; L204-M295 PolarHBondContact O-N 2.99Å; V232-M295 HydrophobicContact CG1-CB 4.31Å; V232-M295 HydrophobicContact CG2-CB 4.21Å; V232-M295 HydrophobicContact CG2-CE 3.96Å; V232-M295 HydrophobicContact CG2-CG 3.77Å; V232-M295 HydrophobicContact CG2-SD 3.64Å; F293-M295 HydrophobicContact CD2-CB 4.28Å; F293-M295 HydrophobicContact CE2-CB 4.3Å; M295-R297 PolarHBondContact O-N 2.94Å; M295-Y299 HydrophobicContact CE-CD1 3.02Å; M295-Y299 HydrophobicContact CE-CD2 4.47Å; M295-Y299 HydrophobicContact CE-CE1 3.4Å; M295-Y299 HydrophobicContact CE-CG 3.62Å; M295-Y299 HydrophobicContact CG-CD1 4.2Å; M295-Y299 HydrophobicContact SD-CD1 4.42Å; M295-F300 HydrophobicContact CE-CB 4.26Å; M295-F300 HydrophobicContact CG-CB 4.45Å; M295-F300 HydrophobicContact SD-CB 4.01Å; M295-F300 HydrophobicContact SD-CD2 4.06Å; M295-L303 HydrophobicContact CE-CD1 3.51Å; M295-L303 HydrophobicContact CE-CG 4.08Å
296	D	98.9	Very high	97.5	Very high	20 Å²	20	24.4 Å²	24.4	11%	0.107	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	130.9	171.1	172.2	-99.5	0	0	0	111	V225 R229 K298 Y299 F300	V225-D296 HydrophobicContact CG1-CB 4.01Å; R229-D296 VanDerWaalsContact CD-CG 3.42Å; R229-D296 VanDerWaalsContact CD-OD1 3.24Å; R229-D296 WeakPolarHBondContact CD-OD1 3.48Å; R229-D296 HydrophobicContact CG-CB 3.36Å; R229-D296 VanDerWaalsContact CG-OD1 3.25Å; R229-D296 WeakPolarHBondContact CG-OD1 3.4Å; R229-D296 WeakPolarHBondContact CG-OD2 3.36Å; R229-D296 IonicContact CZ-OD1 3.76Å; R229-D296 IonicContact NE-OD1 3.89Å; R229-D296 IonicContact NH1-OD1 2.87Å; R229-D296 PolarHBondContact NH1-OD1 3.42Å; R229-D296 WeakPolarHBondContact O-CB 3.35Å; D296-K298 PolarHBondContact O-N 2.82Å; D296-K298 WeakPolarHBondContact OD1-CA 3.43Å; D296-K298 WeakPolarHBondContact OD1-CB 3.22Å; D296-K298 PolarHBondContact OD1-N 2.89Å; D296-Y299 PolarHBondContact O-N 3.1Å; D296-Y299 WeakPolarHBondContact OD1-CB 3.37Å; D296-Y299 PolarHBondContact OD1-N 3.3Å; D296-F300 PolarHBondContact O-N 3.05Å
297	R	98.8	Very high	97.5	Very high	70 Å²	70	24.5 Å²	24.5	26%	0.264	12%	0.123	S	C	.	.	H	α-helix	trans	-61.9	-44	-174.3	-175.6	174.8	66.4	84.2	2.2	111.6	A199 G201 E202 L204 M295 Y299 F300 F301	A199-R297 WeakPolarHBondContact O-CD 3.43Å; G201-R297 VanDerWaalsContact O-CD 3.25Å; G201-R297 WeakPolarHBondContact O-CD 3.34Å; G201-R297 PolarHBondContact O-NE 2.85Å; E202-R297 VanDerWaalsContact O-CB 3.28Å; E202-R297 WeakPolarHBondContact O-CB 3.44Å; E202-R297 PolarHBondContact O-N 2.73Å; L204-R297 HydrophobicContact CD1-CB 4.35Å; L204-R297 HydrophobicContact CD1-CG 4.05Å; L204-R297 HydrophobicContact CD2-CB 4.35Å; L204-R297 HydrophobicContact CD2-CG 3.96Å; L204-R297 HydrophobicContact CG-CB 3.88Å; L204-R297 HydrophobicContact CG-CG 3.86Å; M295-R297 PolarHBondContact O-N 2.94Å; R297-Y299 VanDerWaalsContact C-N 3.32Å; R297-Y299 PolarHBondContact O-N 3.36Å; R297-F300 WeakPolarHBondContact O-CB 3.46Å; R297-F300 PolarHBondContact O-N 3.35Å; R297-F301 HydrophobicContact CG-CD2 4.12Å; R297-F301 HydrophobicContact CG-CE2 3.7Å; R297-F301 WeakPolarHBondContact O-CD2 3.49Å; R297-F301 PolarHBondContact O-N 3.26Å
298	K	98.7	Very high	97.4	Very high	129 Å²	129	26.1 Å²	26.1	56%	0.561	14%	0.139	S	C	*	.	H	α-helix	trans	-65.1	-39.5	179.9	-65.8	175	-177.6	171.9	0	110.6	D296 F300 F301 E302	D296-K298 PolarHBondContact O-N 2.82Å; D296-K298 WeakPolarHBondContact OD1-CA 3.43Å; D296-K298 WeakPolarHBondContact OD1-CB 3.22Å; D296-K298 PolarHBondContact OD1-N 2.89Å; K298-F300 VanDerWaalsContact C-N 3.33Å; K298-F300 PolarHBondContact O-N 3.15Å; K298-F301 PolarHBondContact O-N 2.9Å; K298-E302 VanDerWaalsContact O-CG 3.31Å; K298-E302 WeakPolarHBondContact O-CG 3.23Å; K298-E302 PolarHBondContact O-N 3.47Å
299	Y	98.8	Very high	97.4	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-37.1	179.3	-174.8	-133.5	0	0	0	111.2	R229 R230 V232 M295 D296 R297 F301 E302 L303 G329	R229-Y299 WeakPolarHBondContact O-CD1 3.43Å; R230-Y299 VanDerWaalsContact CA-CE1 3.47Å; R230-Y299 HydrophobicContact CB-CD1 4.41Å; R230-Y299 HydrophobicContact CB-CE1 3.97Å; R230-Y299 HydrophobicContact CB-CE2 4.27Å; R230-Y299 HydrophobicContact CG-CD2 4.14Å; R230-Y299 HydrophobicContact CG-CE1 4.39Å; R230-Y299 HydrophobicContact CG-CE2 3.87Å; R230-Y299 WeakPolarHBondContact O-CE1 3.45Å; V232-Y299 HydrophobicContact CG2-CE1 4.34Å; M295-Y299 HydrophobicContact CE-CD1 3.02Å; M295-Y299 HydrophobicContact CE-CD2 4.47Å; M295-Y299 HydrophobicContact CE-CE1 3.4Å; M295-Y299 HydrophobicContact CE-CG 3.62Å; M295-Y299 HydrophobicContact CG-CD1 4.2Å; M295-Y299 HydrophobicContact SD-CD1 4.42Å; D296-Y299 PolarHBondContact O-N 3.1Å; D296-Y299 WeakPolarHBondContact OD1-CB 3.37Å; D296-Y299 PolarHBondContact OD1-N 3.3Å; R297-Y299 VanDerWaalsContact C-N 3.32Å; R297-Y299 PolarHBondContact O-N 3.36Å; Y299-F301 VanDerWaalsContact C-N 3.32Å; Y299-F301 PolarHBondContact O-N 3.12Å; Y299-E302 PolarHBondContact O-N 3.1Å; Y299-L303 HydrophobicContact CD2-CG 4.06Å; Y299-L303 HydrophobicContact CE1-CD1 3.84Å; Y299-L303 HydrophobicContact CE1-CG 4.24Å; Y299-L303 HydrophobicContact CE2-CD1 4.05Å; Y299-L303 HydrophobicContact CE2-CD2 3.66Å; Y299-L303 HydrophobicContact CE2-CG 3.58Å; Y299-L303 WeakPolarHBondContact O-CB 3.01Å; Y299-L303 WeakPolarHBondContact O-CG 3.25Å; Y299-L303 PolarHBondContact O-N 3.44Å; Y299-G329 WeakPolarHBondContact OH-CA 3.3Å; Y299-G329 PolarHBondContact OH-N 2.91Å
300	F	98.7	Very high	97.4	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-56.9	-44.9	172	179.3	-102.6	0	0	0	112	M193 A196 L204 F206 M295 D296 R297 K298 Q305 Y306 I320	M193-F300 HydrophobicContact CG-CZ 4.47Å; A196-F300 HydrophobicContact CB-CD1 4.09Å; A196-F300 HydrophobicContact CB-CE1 3.63Å; A196-F300 HydrophobicContact CB-CZ 4.43Å; L204-F300 HydrophobicContact CD1-CB 3.9Å; L204-F300 HydrophobicContact CD1-CD1 3.69Å; L204-F300 HydrophobicContact CD1-CE1 4.38Å; L204-F300 HydrophobicContact CD1-CG 3.81Å; F206-F300 HydrophobicContact CE2-CE2 4.46Å; F206-F300 HydrophobicContact CZ-CE2 4.39Å; F206-F300 HydrophobicContact CZ-CZ 4.31Å; M295-F300 HydrophobicContact CE-CB 4.26Å; M295-F300 HydrophobicContact CG-CB 4.45Å; M295-F300 HydrophobicContact SD-CB 4.01Å; M295-F300 HydrophobicContact SD-CD2 4.06Å; D296-F300 PolarHBondContact O-N 3.05Å; R297-F300 WeakPolarHBondContact O-CB 3.46Å; R297-F300 PolarHBondContact O-N 3.35Å; K298-F300 VanDerWaalsContact C-N 3.33Å; K298-F300 PolarHBondContact O-N 3.15Å; F300-Q305 HydrophobicContact CD1-CB 4.24Å; F300-Q305 HydrophobicContact CD1-CG 3.93Å; F300-Q305 HydrophobicContact CE1-CB 3.56Å; F300-Q305 HydrophobicContact CE1-CG 3.56Å; F300-Q305 HydrophobicContact CE2-CB 4.44Å; F300-Q305 HydrophobicContact CZ-CB 3.68Å; F300-Q305 HydrophobicContact CZ-CG 4.22Å; F300-Q305 WeakPolarHBondContact O-CA 3.5Å; F300-Q305 PolarHBondContact O-N 3.35Å; F300-Y306 HydrophobicContact CE2-CD2 4.14Å; F300-Y306 HydrophobicContact CE2-CE2 4.18Å; F300-Y306 HydrophobicContact CZ-CD2 4.02Å; F300-Y306 HydrophobicContact CZ-CE2 4.36Å; F300-I320 HydrophobicContact CE2-CD1 4.27Å
301	F	98.6	Very high	97.5	Very high	68 Å²	68	27.4 Å²	27.4	30%	0.298	15%	0.147	S	C	.	.	H	α-helix	trans	-71	-38.6	176.4	-70.6	-71.9	0	0	0	113.1	A196 R297 K298 Y299 L303 G304 Q305	A196-F301 HydrophobicContact CB-CZ 4.38Å; R297-F301 HydrophobicContact CG-CD2 4.12Å; R297-F301 HydrophobicContact CG-CE2 3.7Å; R297-F301 WeakPolarHBondContact O-CD2 3.49Å; R297-F301 PolarHBondContact O-N 3.26Å; K298-F301 PolarHBondContact O-N 2.9Å; Y299-F301 VanDerWaalsContact C-N 3.32Å; Y299-F301 PolarHBondContact O-N 3.12Å; F301-L303 VanDerWaalsContact C-N 3.32Å; F301-L303 PolarHBondContact O-N 3.17Å; F301-G304 WeakPolarHBondContact O-CA 3.45Å; F301-G304 PolarHBondContact O-N 3.23Å; F301-Q305 HydrophobicContact CD1-CG 3.61Å; F301-Q305 VanDerWaalsContact CD1-NE2 3.29Å; F301-Q305 VanDerWaalsContact CE1-CD 3.47Å; F301-Q305 HydrophobicContact CE1-CG 3.96Å; F301-Q305 HydrophobicContact CG-CG 4.46Å
302	E	98.1	Very high	97.5	Very high	86 Å²	86	28 Å²	28	40%	0.402	15%	0.148	S	C	.	.	H	α-helix	trans	-63	-37.1	175.8	-73.6	164.9	-142.1	0	0	112.6	R229 K298 Y299 G304	R229-E302 IonicContact CZ-OE1 3.26Å; R229-E302 VanDerWaalsContact CZ-OE1 3.26Å; R229-E302 IonicContact CZ-OE2 3.59Å; R229-E302 IonicContact NH1-OE1 2.8Å; R229-E302 PolarHBondContact NH1-OE1 3.27Å; R229-E302 IonicContact NH1-OE2 3.53Å; R229-E302 IonicContact NH2-OE1 2.89Å; R229-E302 PolarHBondContact NH2-OE1 3.03Å; R229-E302 IonicContact NH2-OE2 2.74Å; R229-E302 PolarHBondContact NH2-OE2 3.01Å; K298-E302 VanDerWaalsContact O-CG 3.31Å; K298-E302 WeakPolarHBondContact O-CG 3.23Å; K298-E302 PolarHBondContact O-N 3.47Å; Y299-E302 PolarHBondContact O-N 3.1Å; E302-G304 PolarHBondContact O-N 3.2Å
303	L	97.9	Very high	97.1	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	4.1	171.1	-74.2	-164.8	0	0	0	113.2	M295 Y299 F301 R323 I324 C327 L398 L402	M295-L303 HydrophobicContact CE-CD1 3.51Å; M295-L303 HydrophobicContact CE-CG 4.08Å; Y299-L303 HydrophobicContact CD2-CG 4.06Å; Y299-L303 HydrophobicContact CE1-CD1 3.84Å; Y299-L303 HydrophobicContact CE1-CG 4.24Å; Y299-L303 HydrophobicContact CE2-CD1 4.05Å; Y299-L303 HydrophobicContact CE2-CD2 3.66Å; Y299-L303 HydrophobicContact CE2-CG 3.58Å; Y299-L303 WeakPolarHBondContact O-CB 3.01Å; Y299-L303 WeakPolarHBondContact O-CG 3.25Å; Y299-L303 PolarHBondContact O-N 3.44Å; F301-L303 VanDerWaalsContact C-N 3.32Å; F301-L303 PolarHBondContact O-N 3.17Å; L303-R323 HydrophobicContact CD1-CG 4.39Å; L303-R323 HydrophobicContact CD2-CG 4.23Å; L303-R323 WeakPolarHBondContact O-CD 3.31Å; L303-R323 PolarHBondContact O-NE 3.19Å; L303-I324 HydrophobicContact CD1-CG1 3.78Å; L303-C327 HydrophobicContact CD2-CB 4.22Å; L303-L398 WeakPolarHBondContact O-CD2 3.48Å; L303-L402 HydrophobicContact CD2-CD1 3.96Å
304	G	97.9	Very high	96.8	Very high	17 Å²	17	32.3 Å²	32.3	18%	0.175	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	36.7	-179.1	0	0	0	0	0	112.9	F301 E302 R395	F301-G304 WeakPolarHBondContact O-CA 3.45Å; F301-G304 PolarHBondContact O-N 3.23Å; E302-G304 PolarHBondContact O-N 3.2Å; G304-R395 PolarHBondContact O-NH1 3.36Å; G304-R395 PolarHBondContact O-NH2 3.15Å
305	Q	97.4	Very high	96.6	Very high	54 Å²	54	32.3 Å²	32.3	25%	0.252	16%	0.164	S	C	.	.	S	Bend	trans	51.6	-134.2	173.1	-53.4	179.2	45.1	0	0	112.3	M193 F300 F301 R323	M193-Q305 HydrophobicContact CG-CB 4.13Å; M193-Q305 HydrophobicContact SD-CB 3.87Å; F300-Q305 HydrophobicContact CD1-CB 4.24Å; F300-Q305 HydrophobicContact CD1-CG 3.93Å; F300-Q305 HydrophobicContact CE1-CB 3.56Å; F300-Q305 HydrophobicContact CE1-CG 3.56Å; F300-Q305 HydrophobicContact CE2-CB 4.44Å; F300-Q305 HydrophobicContact CZ-CB 3.68Å; F300-Q305 HydrophobicContact CZ-CG 4.22Å; F300-Q305 WeakPolarHBondContact O-CA 3.5Å; F300-Q305 PolarHBondContact O-N 3.35Å; F301-Q305 HydrophobicContact CD1-CG 3.61Å; F301-Q305 VanDerWaalsContact CD1-NE2 3.29Å; F301-Q305 VanDerWaalsContact CE1-CD 3.47Å; F301-Q305 HydrophobicContact CE1-CG 3.96Å; F301-Q305 HydrophobicContact CG-CG 4.46Å; Q305-R323 PolarHBondContact O-NH2 3.08Å
306	Y	98.3	Very high	96.5	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.012	17%	0.165	C	C	.	.	S	Bend	trans	-93.7	165.2	162.8	-76.4	-72.8	0	0	0	111.1	I189 R192 M193 F293 F300 G308 E316 I320	I189-Y306 VanDerWaalsContact CG2-CB 3.45Å; I189-Y306 HydrophobicContact CG2-CD1 4.36Å; I189-Y306 HydrophobicContact CG2-CD2 4.36Å; I189-Y306 HydrophobicContact CG2-CG 3.85Å; R192-Y306 HydrophobicContact CB-CD2 4.48Å; R192-Y306 HydrophobicContact CB-CE2 4.18Å; R192-Y306 PolarHBondContact NH1-OH 3.19Å; M193-Y306 HydrophobicContact CG-CD2 4.22Å; F293-Y306 VanDerWaalsContact CE1-OH 3.25Å; F293-Y306 WeakPolarHBondContact CE1-OH 3.21Å; F293-Y306 WeakPolarHBondContact CZ-OH 3.36Å; F300-Y306 HydrophobicContact CE2-CD2 4.14Å; F300-Y306 HydrophobicContact CE2-CE2 4.18Å; F300-Y306 HydrophobicContact CZ-CD2 4.02Å; F300-Y306 HydrophobicContact CZ-CE2 4.36Å; Y306-G308 PolarHBondContact O-N 3.33Å; Y306-E316 HydrophobicContact CD1-CB 4.08Å; Y306-E316 HydrophobicContact CD1-CG 4.49Å; Y306-E316 HydrophobicContact CE1-CB 4.05Å; Y306-E316 HydrophobicContact CE1-CG 4.03Å; Y306-I320 HydrophobicContact CD1-CB 4.31Å; Y306-I320 HydrophobicContact CD1-CD1 4.17Å; Y306-I320 HydrophobicContact CE1-CB 3.91Å; Y306-I320 HydrophobicContact CE1-CD1 3.74Å; Y306-I320 HydrophobicContact CE1-CG1 4.41Å; Y306-I320 HydrophobicContact CE1-CG2 3.92Å
307	D	98.1	Very high	96.5	Very high	4 Å²	4	32 Å²	32	2%	0.021	16%	0.162	C	C	.	.			trans	-69.9	107.1	168.3	177.4	7.2	0	0	0	110.4	G309 M310 R364 R395	D307-G309 PolarHBondContact O-N 3.47Å; D307-G309 VanDerWaalsContact O-N 3.14Å; D307-G309 PolarHBondContact OD1-N 3.4Å; D307-M310 HydrophobicContact CB-CE 4.39Å; D307-M310 HydrophobicContact CB-CG 3.97Å; D307-M310 HydrophobicContact CB-SD 4.23Å; D307-M310 WeakPolarHBondContact O-CB 3.49Å; D307-M310 PolarHBondContact O-N 3.24Å; D307-R364 IonicContact OD1-CZ 2.73Å; D307-R364 IonicContact OD1-NE 3.21Å; D307-R364 IonicContact OD1-NH2 2.77Å; D307-R364 PolarHBondContact OD1-NH2 3.42Å; D307-R364 IonicContact OD2-CZ 2.67Å; D307-R364 IonicContact OD2-NE 2.63Å; D307-R364 PolarHBondContact OD2-NE 3.17Å; D307-R364 IonicContact OD2-NH2 2.96Å; D307-R364 PolarHBondContact OD2-NH2 2.98Å; D307-R395 HydrophobicContact CB-CG 4.39Å
308	G	96.6	Very high	96.5	Very high	34 Å²	34	28.7 Å²	28.7	35%	0.351	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.7	-179.7	0	0	0	0	0	115.2	R190 Y306 M310	R190-G308 PolarHBondContact NE-O 2.65Å; R190-G308 PolarHBondContact NH2-O 3.26Å; Y306-G308 PolarHBondContact O-N 3.33Å; G308-M310 VanDerWaalsContact C-N 3.33Å
309	G	96.5	Very high	96.5	Very high	24 Å²	24	22.6 Å²	22.6	25%	0.247	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.5	172.4	0	0	0	0	0	114.5	D307 H360 R364	D307-G309 PolarHBondContact O-N 3.47Å; D307-G309 VanDerWaalsContact O-N 3.14Å; D307-G309 PolarHBondContact OD1-N 3.4Å; G309-H360 PolarHBondContact O-NE2 3.42Å; G309-H360 VanDerWaalsContact O-NE2 3.07Å; G309-R364 VanDerWaalsContact O-CD 3.31Å; G309-R364 WeakPolarHBondContact O-CD 3.36Å; G309-R364 PolarHBondContact O-NE 3.19Å
310	M	96.6	Very high	96.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.			trans	-82.5	143.5	171	-68.2	-174.1	165.9	0	0	111.8	I189 R190 D307 G308 E316 E319 N361 R364 L365	I189-M310 HydrophobicContact CD1-CB 3.31Å; I189-M310 HydrophobicContact CD1-CG 4.33Å; I189-M310 HydrophobicContact CD1-SD 4.14Å; R190-M310 PolarHBondContact NH2-O 2.94Å; D307-M310 HydrophobicContact CB-CE 4.39Å; D307-M310 HydrophobicContact CB-CG 3.97Å; D307-M310 HydrophobicContact CB-SD 4.23Å; D307-M310 WeakPolarHBondContact O-CB 3.49Å; D307-M310 PolarHBondContact O-N 3.24Å; G308-M310 VanDerWaalsContact C-N 3.33Å; M310-E316 HydrophobicContact SD-CB 3.99Å; M310-E319 HydrophobicContact CE-CB 3.67Å; M310-E319 HydrophobicContact CE-CG 3.57Å; M310-N361 VanDerWaalsContact CA-OD1 3.25Å; M310-N361 WeakPolarHBondContact CA-OD1 3.3Å; M310-N361 HydrophobicContact CB-CB 4.31Å; M310-N361 WeakPolarHBondContact CB-OD1 3.47Å; M310-N361 HydrophobicContact CE-CB 4.23Å; M310-N361 WeakPolarHBondContact CE-O 3.16Å; M310-N361 HydrophobicContact CG-CB 3.99Å; M310-N361 HydrophobicContact SD-CB 4.17Å; M310-R364 HydrophobicContact CE-CB 4.49Å; M310-L365 HydrophobicContact CE-CB 3.98Å
311	D	92.7	Very high	96.5	Very high	40 Å²	40	22.3 Å²	22.3	21%	0.214	12%	0.122	C	C	.	.			trans	-109.4	136.1	-173.4	-65.1	-41.2	0	0	0	112.2	R190 W313 T357 H360 N361	R190-D311 IonicContact CZ-OD1 3.26Å; R190-D311 IonicContact NH1-OD1 3.57Å; R190-D311 PolarHBondContact NH1-OD1 3.4Å; R190-D311 IonicContact NH2-OD1 3.27Å; R190-D311 PolarHBondContact NH2-OD1 2.77Å; D311-W313 VanDerWaalsContact C-N 3.27Å; D311-W313 PolarHBondContact O-N 2.8Å; D311-T357 HydrophobicContact CB-CG2 3.94Å; D311-T357 WeakPolarHBondContact O-CB 3.19Å; D311-H360 IonicContact OD2-CD2 3.14Å; D311-H360 PolarHBondContact OD2-CD2 2.77Å; D311-H360 VanDerWaalsContact OD2-CD2 3.31Å; D311-H360 IonicContact OD2-NE2 2.82Å; D311-H360 PolarHBondContact OD2-NE2 2.8Å; D311-N361 PolarHBondContact N-OD1 3.04Å; D311-N361 PolarHBondContact O-ND2 3.31Å
312	I	89.5	Confident	96.5	Very high	24 Å²	24	19.1 Å²	19.1	12%	0.123	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	52	-73.6	170.1	-51.5	-59.9	0	0	0	115.3	L188 T357	L188-I312 VanDerWaalsContact CB-O 3.3Å; L188-I312 WeakPolarHBondContact CB-O 3.34Å; L188-I312 PolarHBondContact N-O 2.8Å; I312-T357 HydrophobicContact CB-CG2 4.2Å; I312-T357 HydrophobicContact CG1-CG2 4.28Å
313	W	91.8	Very high	96.5	Very high	94 Å²	94	15 Å²	15	36%	0.356	9%	0.089	S	C	.	.	S	Bend	trans	-157.6	143.6	-173	-175.4	89.2	0	0	0	111.4	D311 R347 T357 M358 N361	D311-W313 VanDerWaalsContact C-N 3.27Å; D311-W313 PolarHBondContact O-N 2.8Å; W313-R347 VanDerWaalsContact CD2-NH1 3.31Å; W313-R347 VanDerWaalsContact CH2-NH2 3.29Å; W313-T357 PolarHBondContact O-OG1 3.2Å; W313-M358 HydrophobicContact CZ3-SD 3.9Å; W313-N361 PolarHBondContact O-ND2 2.82Å
314	G	91.5	Very high	96.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	113.3	136.8	164.8	0	0	0	0	0	112.6	E316 M358 N361	G314-E316 VanDerWaalsContact CA-OE2 3.23Å; G314-E316 WeakPolarHBondContact CA-OE2 3.43Å; G314-E316 PolarHBondContact N-OE2 2.68Å; G314-E316 PolarHBondContact O-N 2.66Å; G314-E316 VanDerWaalsContact O-N 3.17Å; G314-M358 WeakPolarHBondContact CA-SD 3.29Å; G314-N361 WeakPolarHBondContact O-CB 3.46Å; G314-N361 PolarHBondContact O-ND2 3.42Å
315	G	94.7	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	79.4	-18.5	175.5	0	0	0	0	0	114.8	N317 L318 E319 L365	G315-N317 PolarHBondContact O-N 2.69Å; G315-L318 PolarHBondContact O-N 3.39Å; G315-E319 WeakPolarHBondContact O-CB 3.45Å; G315-E319 PolarHBondContact O-N 2.9Å; G315-L365 WeakPolarHBondContact O-CD2 3.32Å
316	E	97.5	Very high	96.7	Very high	5 Å²	5	11.9 Å²	11.9	2%	0.023	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-34.3	-178.4	79.7	-67.1	160.6	0	0	112.4	I189 Y306 M310 G314 E319 I320	I189-E316 HydrophobicContact CD1-CB 3.74Å; I189-E316 HydrophobicContact CD1-CG 4.31Å; I189-E316 HydrophobicContact CG1-CB 3.84Å; I189-E316 HydrophobicContact CG1-CG 3.97Å; Y306-E316 HydrophobicContact CD1-CB 4.08Å; Y306-E316 HydrophobicContact CD1-CG 4.49Å; Y306-E316 HydrophobicContact CE1-CB 4.05Å; Y306-E316 HydrophobicContact CE1-CG 4.03Å; M310-E316 HydrophobicContact SD-CB 3.99Å; G314-E316 VanDerWaalsContact CA-OE2 3.23Å; G314-E316 WeakPolarHBondContact CA-OE2 3.43Å; G314-E316 PolarHBondContact N-OE2 2.68Å; G314-E316 PolarHBondContact O-N 2.66Å; G314-E316 VanDerWaalsContact O-N 3.17Å; E316-E319 PolarHBondContact O-N 3.17Å; E316-I320 WeakPolarHBondContact O-CG2 3.21Å; E316-I320 PolarHBondContact O-N 3.14Å
317	N	97.9	Very high	96.7	Very high	9 Å²	9	12.4 Å²	12.4	5%	0.048	7%	0.073	C	C	.	.	H	α-helix	trans	-68.8	-38.3	179.6	68.6	-53.5	0	0	0	111.7	M288 G315 S321	M288-N317 HydrophobicContact CG-CB 4.44Å; M288-N317 PolarHBondContact O-ND2 3.09Å; G315-N317 PolarHBondContact O-N 2.69Å; N317-S321 WeakPolarHBondContact O-CB 3.46Å; N317-S321 PolarHBondContact O-N 2.83Å; N317-S321 PolarHBondContact O-OG 2.84Å
318	L	98.6	Very high	96.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72.3	-43.8	174	-60.8	-171.7	0	0	0	111	F257 L261 T287 G315 I320 S321 F322 L365	F257-L318 HydrophobicContact CB-CD1 3.92Å; F257-L318 HydrophobicContact CB-CD2 3.8Å; F257-L318 HydrophobicContact CD2-CD1 4.47Å; F257-L318 HydrophobicContact CG-CD1 4.35Å; F257-L318 HydrophobicContact CG-CD2 4.38Å; L261-L318 HydrophobicContact CB-CD1 4.14Å; L261-L318 HydrophobicContact CD2-CD1 4.43Å; L261-L318 WeakPolarHBondContact O-CD1 3.38Å; T287-L318 HydrophobicContact CG2-CD2 3.73Å; G315-L318 PolarHBondContact O-N 3.39Å; L318-I320 PolarHBondContact O-N 3.46Å; L318-S321 WeakPolarHBondContact O-CB 3.49Å; L318-S321 PolarHBondContact O-N 2.89Å; L318-F322 HydrophobicContact CB-CE2 4.37Å; L318-F322 HydrophobicContact CB-CZ 4.25Å; L318-F322 WeakPolarHBondContact O-CD1 3.18Å; L318-F322 VanDerWaalsContact O-CG 3.25Å; L318-F322 WeakPolarHBondContact O-CG 3.46Å; L318-F322 PolarHBondContact O-N 3.48Å; L318-L365 HydrophobicContact CB-CD2 4.4Å
319	E	98.7	Very high	96.7	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-58.8	-48.6	-179.1	-165.7	-88.7	167.4	0	0	112.3	M310 G315 E316 F322 R323 L365 W369 R395	M310-E319 HydrophobicContact CE-CB 3.67Å; M310-E319 HydrophobicContact CE-CG 3.57Å; G315-E319 WeakPolarHBondContact O-CB 3.45Å; G315-E319 PolarHBondContact O-N 2.9Å; E316-E319 PolarHBondContact O-N 3.17Å; E319-F322 PolarHBondContact O-N 2.96Å; E319-R323 PolarHBondContact O-N 3.25Å; E319-R323 IonicContact OE1-CZ 3.58Å; E319-R323 IonicContact OE1-NH1 3.19Å; E319-R323 PolarHBondContact OE1-NH1 3.14Å; E319-R323 IonicContact OE2-CZ 3.87Å; E319-R323 VanDerWaalsContact OE2-CZ 3.28Å; E319-R323 IonicContact OE2-NH1 3.82Å; E319-R323 PolarHBondContact OE2-NH1 2.74Å; E319-R323 IonicContact OE2-NH2 3.72Å; E319-R323 PolarHBondContact OE2-NH2 2.99Å; E319-L365 HydrophobicContact CB-CB 3.82Å; E319-L365 HydrophobicContact CG-CB 3.74Å; E319-W369 PolarHBondContact OE1-NE1 3.21Å; E319-R395 IonicContact OE1-NE 3.91Å; E319-R395 IonicContact OE1-NH2 2.98Å
320	I	98.6	Very high	96.8	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-68.7	-35.1	176.9	-161	168.4	0	0	0	111.7	M288 F300 Y306 E316 L318 R323 I324	M288-I320 HydrophobicContact CE-CG2 3.99Å; M288-I320 HydrophobicContact SD-CG2 3.87Å; F300-I320 HydrophobicContact CE2-CD1 4.27Å; Y306-I320 HydrophobicContact CD1-CB 4.31Å; Y306-I320 HydrophobicContact CD1-CD1 4.17Å; Y306-I320 HydrophobicContact CE1-CB 3.91Å; Y306-I320 HydrophobicContact CE1-CD1 3.74Å; Y306-I320 HydrophobicContact CE1-CG1 4.41Å; Y306-I320 HydrophobicContact CE1-CG2 3.92Å; E316-I320 WeakPolarHBondContact O-CG2 3.21Å; E316-I320 PolarHBondContact O-N 3.14Å; L318-I320 PolarHBondContact O-N 3.46Å; I320-R323 PolarHBondContact O-N 3.41Å; I320-I324 HydrophobicContact CG1-CD1 3.96Å; I320-I324 HydrophobicContact CG1-CG1 4.31Å; I320-I324 WeakPolarHBondContact O-CB 3.44Å; I320-I324 WeakPolarHBondContact O-CD1 3.42Å; I320-I324 WeakPolarHBondContact O-CG1 3.41Å; I320-I324 PolarHBondContact O-N 2.95Å
321	S	98.8	Very high	96.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-46.4	176.6	-62.8	0	0	0	0	112	T287 M288 N317 L318 I324 W325	T287-S321 WeakPolarHBondContact CA-OG 3.21Å; M288-S321 PolarHBondContact N-OG 3.33Å; N317-S321 WeakPolarHBondContact O-CB 3.46Å; N317-S321 PolarHBondContact O-N 2.83Å; N317-S321 PolarHBondContact O-OG 2.84Å; L318-S321 WeakPolarHBondContact O-CB 3.49Å; L318-S321 PolarHBondContact O-N 2.89Å; S321-I324 PolarHBondContact O-N 3.2Å; S321-W325 PolarHBondContact O-N 3.38Å
322	F	98.8	Very high	97.2	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.2	-46.2	176.7	-62.8	-14.5	0	0	0	110.4	F257 T287 L318 E319 I324 W325 M326 L365 W369 M370 F407 Y410	F257-F322 HydrophobicContact CD1-CE1 4.04Å; F257-F322 HydrophobicContact CD1-CZ 4.12Å; F257-F322 HydrophobicContact CD2-CZ 4.22Å; F257-F322 AromaticContact CE1-CE1 3.62Å; F257-F322 HydrophobicContact CE1-CE1 3.62Å; F257-F322 AromaticContact CE1-CZ 3.75Å; F257-F322 HydrophobicContact CE1-CZ 3.75Å; F257-F322 AromaticContact CE2-CZ 3.86Å; F257-F322 HydrophobicContact CE2-CZ 3.86Å; F257-F322 HydrophobicContact CG-CZ 4.37Å; F257-F322 AromaticContact CZ-CE1 3.93Å; F257-F322 HydrophobicContact CZ-CE1 3.93Å; F257-F322 AromaticContact CZ-CZ 3.63Å; F257-F322 HydrophobicContact CZ-CZ 3.63Å; T287-F322 HydrophobicContact CG2-CE1 4.22Å; L318-F322 HydrophobicContact CB-CE2 4.37Å; L318-F322 HydrophobicContact CB-CZ 4.25Å; L318-F322 WeakPolarHBondContact O-CD1 3.18Å; L318-F322 VanDerWaalsContact O-CG 3.25Å; L318-F322 WeakPolarHBondContact O-CG 3.46Å; L318-F322 PolarHBondContact O-N 3.48Å; E319-F322 PolarHBondContact O-N 2.96Å; F322-I324 PolarHBondContact O-N 3.07Å; F322-W325 PolarHBondContact O-N 2.93Å; F322-M326 HydrophobicContact CB-SD 4Å; F322-M326 WeakPolarHBondContact O-CB 3.32Å; F322-M326 WeakPolarHBondContact O-CG 3.22Å; F322-M326 PolarHBondContact O-N 3.39Å; F322-L365 HydrophobicContact CD2-CD1 4.06Å; F322-L365 HydrophobicContact CE2-CD1 3.64Å; F322-W369 HydrophobicContact CB-CB 4.24Å; F322-W369 HydrophobicContact CB-CG 4.42Å; F322-W369 HydrophobicContact CD2-CB 4.11Å; F322-M370 HydrophobicContact CE2-CG 4.3Å; F322-F407 HydrophobicContact CD1-CE2 4.16Å; F322-F407 AromaticContact CD2-CE2 3.87Å; F322-F407 HydrophobicContact CD2-CE2 3.87Å; F322-F407 HydrophobicContact CE1-CE2 4.09Å; F322-F407 HydrophobicContact CE1-CZ 4.46Å; F322-F407 AromaticContact CE2-CE2 3.76Å; F322-F407 HydrophobicContact CE2-CE2 3.76Å; F322-F407 HydrophobicContact CE2-CZ 4.17Å; F322-F407 HydrophobicContact CG-CE2 4.07Å; F322-F407 AromaticContact CZ-CE2 3.89Å; F322-F407 HydrophobicContact CZ-CE2 3.89Å; F322-F407 HydrophobicContact CZ-CZ 4.05Å; F322-Y410 AromaticContact CD1-CE1 3.97Å; F322-Y410 HydrophobicContact CD1-CE1 3.97Å; F322-Y410 HydrophobicContact CD1-CE2 4.07Å; F322-Y410 AromaticContact CD1-CZ 3.67Å; F322-Y410 AromaticContact CE1-CE1 3.84Å; F322-Y410 HydrophobicContact CE1-CE1 3.84Å; F322-Y410 AromaticContact CE1-CZ 3.79Å
323	R	98.5	Very high	97.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.9	-48.9	177	176.7	168.9	53.6	-93.5	0.5	112.3	L303 Q305 E319 I320 W325 C327 W369	L303-R323 HydrophobicContact CD1-CG 4.39Å; L303-R323 HydrophobicContact CD2-CG 4.23Å; L303-R323 WeakPolarHBondContact O-CD 3.31Å; L303-R323 PolarHBondContact O-NE 3.19Å; Q305-R323 PolarHBondContact O-NH2 3.08Å; E319-R323 PolarHBondContact O-N 3.25Å; E319-R323 IonicContact OE1-CZ 3.58Å; E319-R323 IonicContact OE1-NH1 3.19Å; E319-R323 PolarHBondContact OE1-NH1 3.14Å; E319-R323 IonicContact OE2-CZ 3.87Å; E319-R323 VanDerWaalsContact OE2-CZ 3.28Å; E319-R323 IonicContact OE2-NH1 3.82Å; E319-R323 PolarHBondContact OE2-NH1 2.74Å; E319-R323 IonicContact OE2-NH2 3.72Å; E319-R323 PolarHBondContact OE2-NH2 2.99Å; I320-R323 PolarHBondContact O-N 3.41Å; R323-W325 PolarHBondContact O-N 2.82Å; R323-C327 WeakPolarHBondContact O-CB 3.4Å; R323-C327 PolarHBondContact O-N 3.34Å; R323-C327 PolarHBondContact O-SG 3.1Å; R323-W369 HydrophobicContact CB-CH2 3.69Å; R323-W369 HydrophobicContact CB-CZ2 3.69Å; R323-W369 HydrophobicContact CB-CZ3 4.14Å; R323-W369 HydrophobicContact CG-CH2 3.6Å; R323-W369 HydrophobicContact CG-CZ2 3.86Å; R323-W369 HydrophobicContact CG-CZ3 4.32Å
324	I	98.8	Very high	97.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-54.3	-54.5	-179.9	-71.4	157.5	0	0	0	109.8	V232 M288 L303 I320 S321 F322 G329 L331	V232-I324 HydrophobicContact CB-CD1 3.94Å; V232-I324 HydrophobicContact CG1-CD1 4.03Å; V232-I324 HydrophobicContact CG2-CD1 3.58Å; V232-I324 HydrophobicContact CG2-CG1 3.9Å; V232-I324 HydrophobicContact CG2-CG2 4.09Å; M288-I324 HydrophobicContact CE-CD1 3.61Å; L303-I324 HydrophobicContact CD1-CG1 3.78Å; I320-I324 HydrophobicContact CG1-CD1 3.96Å; I320-I324 HydrophobicContact CG1-CG1 4.31Å; I320-I324 WeakPolarHBondContact O-CB 3.44Å; I320-I324 WeakPolarHBondContact O-CD1 3.42Å; I320-I324 WeakPolarHBondContact O-CG1 3.41Å; I320-I324 PolarHBondContact O-N 2.95Å; S321-I324 PolarHBondContact O-N 3.2Å; F322-I324 PolarHBondContact O-N 3.07Å; I324-G329 CarbonylContact O-C 3.57Å; I324-G329 VanDerWaalsContact O-CA 3.3Å; I324-G329 WeakPolarHBondContact O-CA 3.34Å; I324-G329 PolarHBondContact O-N 3.3Å; I324-L331 HydrophobicContact CG2-CB 4.46Å
325	W	98.8	Very high	98	Very high	10 Å²	10	9 Å²	9	4%	0.038	6%	0.06	C	C	.	.	H	α-helix	trans	-66.2	-50.6	-177.8	-82.2	115.3	0	0	0	112.9	R284 S285 P286 S321 F322 R323 C327 G328 Q330 L331 W409 Y410 V414	R284-W325 HydrophobicContact CB-CH2 4.36Å; R284-W325 HydrophobicContact CB-CZ2 4.25Å; R284-W325 HydrophobicContact CG-CH2 4.16Å; R284-W325 VanDerWaalsContact NH2-CH2 3.27Å; S285-W325 PolarHBondContact O-NE1 3.07Å; P286-W325 PolarHBondContact O-NE1 2.79Å; S321-W325 PolarHBondContact O-N 3.38Å; F322-W325 PolarHBondContact O-N 2.93Å; R323-W325 PolarHBondContact O-N 2.82Å; W325-C327 PolarHBondContact O-N 3.4Å; W325-G328 PolarHBondContact O-N 2.84Å; W325-Q330 HydrophobicContact CH2-CB 3.75Å; W325-Q330 HydrophobicContact CZ3-CB 3.82Å; W325-L331 HydrophobicContact CZ2-CB 4.03Å; W325-L331 VanDerWaalsContact CZ2-N 3.3Å; W325-L331 WeakPolarHBondContact CZ2-O 3.49Å; W325-W409 WeakPolarHBondContact O-CZ3 3.15Å; W325-Y410 HydrophobicContact CB-CD2 3.74Å; W325-Y410 HydrophobicContact CB-CE2 3.89Å; W325-Y410 AromaticContact CD1-CE2 3.73Å; W325-Y410 HydrophobicContact CG-CD2 4.24Å; W325-Y410 AromaticContact CG-CE2 3.96Å; W325-Y410 HydrophobicContact CG-CE2 3.96Å; W325-V414 HydrophobicContact CB-CG2 4.19Å; W325-V414 HydrophobicContact CD2-CB 4.41Å; W325-V414 HydrophobicContact CD2-CG1 3.62Å; W325-V414 HydrophobicContact CD2-CG2 3.83Å; W325-V414 HydrophobicContact CE3-CG1 4.31Å; W325-V414 HydrophobicContact CE3-CG2 3.86Å; W325-V414 HydrophobicContact CG-CB 4.49Å; W325-V414 HydrophobicContact CG-CG1 3.76Å; W325-V414 HydrophobicContact CG-CG2 4.01Å; W325-V414 HydrophobicContact CZ2-CG1 4.2Å
326	M	98.8	Very high	98.1	Very high	1 Å²	1	9 Å²	9	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-68.4	-27.2	-173.8	-65.6	169	65.5	0	0	111.8	F322 W369 C404 R405 F407 Y410	F322-M326 HydrophobicContact CB-SD 4Å; F322-M326 WeakPolarHBondContact O-CB 3.32Å; F322-M326 WeakPolarHBondContact O-CG 3.22Å; F322-M326 PolarHBondContact O-N 3.39Å; M326-W369 HydrophobicContact CE-CE3 4.13Å; M326-W369 WeakPolarHBondContact CE-O 3.29Å; M326-W369 HydrophobicContact SD-CE3 4.08Å; M326-C404 HydrophobicContact CB-CB 4.21Å; M326-C404 CarbonylContact O-C 3.56Å; M326-C404 WeakPolarHBondContact O-CA 3.28Å; M326-C404 WeakPolarHBondContact O-CB 3.38Å; M326-R405 WeakPolarHBondContact CE-O 3.38Å; M326-R405 PolarHBondContact O-N 3.16Å; M326-F407 HydrophobicContact CE-CB 4.4Å; M326-F407 HydrophobicContact SD-CD2 4.04Å; M326-Y410 HydrophobicContact CG-CD2 4.36Å; M326-Y410 HydrophobicContact CG-CG 4.47Å
327	C	98.6	Very high	98.2	Very high	14 Å²	14	8.8 Å²	8.8	10%	0.095	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	22.9	-179.5	-48.8	0	0	0	0	113.1	L303 R323 W325 L402 C404	L303-C327 HydrophobicContact CD2-CB 4.22Å; R323-C327 WeakPolarHBondContact O-CB 3.4Å; R323-C327 PolarHBondContact O-N 3.34Å; R323-C327 PolarHBondContact O-SG 3.1Å; W325-C327 PolarHBondContact O-N 3.4Å; C327-L402 HydrophobicContact CB-CB 4.27Å; C327-L402 HydrophobicContact CB-CD1 4.22Å; C327-C404 HydrophobicContact CB-CB 4.06Å; C327-C404 WeakPolarHBondContact CB-SG 3.09Å; C327-C404 WeakPolarHBondContact SG-CB 3.38Å; C327-C404 CovalentContact SG-SG 2.04Å; C327-C404 PolarHBondContact SG-SG 2.7Å
328	G	97.7	Very high	98.2	Very high	48 Å²	48	9.1 Å²	9.1	50%	0.495	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	19.5	166.3	0	0	0	0	0	115.9	W325	W325-G328 PolarHBondContact O-N 2.84Å
329	G	98.4	Very high	98.2	Very high	9 Å²	9	9.1 Å²	9.1	9%	0.093	6%	0.059	C	C	.	.			trans	-98	-171.6	165.3	0	0	0	0	0	112.4	R230 Y299 I324	R230-G329 VanDerWaalsContact O-CA 3.3Å; R230-G329 WeakPolarHBondContact O-CA 3.26Å; Y299-G329 WeakPolarHBondContact OH-CA 3.3Å; Y299-G329 PolarHBondContact OH-N 2.91Å; I324-G329 CarbonylContact O-C 3.57Å; I324-G329 VanDerWaalsContact O-CA 3.3Å; I324-G329 WeakPolarHBondContact O-CA 3.34Å; I324-G329 PolarHBondContact O-N 3.3Å
330	Q	97.9	Very high	98.2	Very high	57 Å²	57	9 Å²	9	27%	0.266	6%	0.059	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.9	179.2	58	178.6	-43.4	0	0	111.4	D228 R230 T231 V232 W325	D228-Q330 PolarHBondContact OD2-NE2 2.9Å; R230-Q330 PolarHBondContact O-N 3.17Å; R230-Q330 VanDerWaalsContact O-N 3.07Å; T231-Q330 HydrophobicContact CG2-CG 3.9Å; T231-Q330 WeakPolarHBondContact OG1-CG 3.45Å; T231-Q330 PolarHBondContact OG1-NE2 3.01Å; V232-Q330 PolarHBondContact N-O 3.32Å; W325-Q330 HydrophobicContact CH2-CB 3.75Å; W325-Q330 HydrophobicContact CZ3-CB 3.82Å
331	L	98.7	Very high	98.2	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.6	178.7	-179.8	59.2	0	0	0	110.2	V232 S285 T287 M288 I324 W325	V232-L331 HydrophobicContact CB-CD1 3.96Å; V232-L331 HydrophobicContact CG1-CD1 3.87Å; V232-L331 WeakPolarHBondContact O-CA 3.5Å; S285-L331 PolarHBondContact N-O 3.38Å; T287-L331 VanDerWaalsContact C-CD2 3.47Å; M288-L331 HydrophobicContact CB-CD1 4.45Å; M288-L331 HydrophobicContact CB-CD2 4.03Å; M288-L331 HydrophobicContact CE-CD1 3.6Å; M288-L331 HydrophobicContact CE-CD2 4.03Å; M288-L331 HydrophobicContact CE-CG 4.48Å; I324-L331 HydrophobicContact CG2-CB 4.46Å; W325-L331 HydrophobicContact CZ2-CB 4.03Å; W325-L331 VanDerWaalsContact CZ2-N 3.3Å; W325-L331 WeakPolarHBondContact CZ2-O 3.49Å
332	L	98.2	Very high	98.1	Very high	19 Å²	19	10.4 Å²	10.4	10%	0.099	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.3	-176.7	-56.9	-178.2	0	0	0	111.2	P224 T231 V232 V233 C234 P282 F283 R284	P224-L332 HydrophobicContact CB-CD1 4.33Å; T231-L332 HydrophobicContact CG2-CD1 3.64Å; T231-L332 HydrophobicContact CG2-CG 4.01Å; V232-L332 PolarHBondContact O-N 2.9Å; V233-L332 CarbonylContact C-O 3.55Å; V233-L332 WeakPolarHBondContact CA-O 3.06Å; C234-L332 PolarHBondContact N-O 2.86Å; P282-L332 HydrophobicContact CB-CD1 4.29Å; F283-L332 CarbonylContact O-C 3.53Å; F283-L332 VanDerWaalsContact O-CA 3.32Å; F283-L332 WeakPolarHBondContact O-CA 3.39Å; R284-L332 HydrophobicContact CG-CD2 3.94Å
333	I	98.2	Very high	97.7	Very high	7 Å²	7	14.6 Å²	14.6	4%	0.036	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.8	160.4	-69.1	164.8	0	0	0	107.7	C234 V236 V253 R254 P282 F283	C234-I333 HydrophobicContact CB-CG1 3.95Å; C234-I333 WeakPolarHBondContact O-CA 2.98Å; V236-I333 HydrophobicContact CG2-CG2 3.74Å; V253-I333 WeakPolarHBondContact O-CD1 3.47Å; R254-I333 HydrophobicContact CB-CD1 4.38Å; P282-I333 WeakPolarHBondContact CA-O 3.24Å; F283-I333 HydrophobicContact CD2-CB 4.32Å; F283-I333 HydrophobicContact CE1-CB 4.28Å; F283-I333 HydrophobicContact CE1-CG2 4.05Å; F283-I333 HydrophobicContact CE2-CB 3.67Å; F283-I333 HydrophobicContact CE2-CD1 3.91Å; F283-I333 HydrophobicContact CE2-CG1 4.33Å; F283-I333 HydrophobicContact CE2-CG2 4.07Å; F283-I333 HydrophobicContact CZ-CB 3.65Å; F283-I333 HydrophobicContact CZ-CD1 4.3Å; F283-I333 HydrophobicContact CZ-CG2 3.52Å; F283-I333 PolarHBondContact N-O 2.76Å; F283-I333 PolarHBondContact O-N 3.04Å
334	V	96.9	Very high	97.3	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.03	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	105.5	-179.5	177.9	0	0	0	0	110.3	P220 P224 V233 C234 P282 C336 S337	P220-V334 HydrophobicContact CB-CG1 3.61Å; P224-V334 HydrophobicContact CG-CG2 4.25Å; V233-V334 HydrophobicContact CG1-CB 4.1Å; V233-V334 HydrophobicContact CG1-CG2 3.34Å; C234-V334 PolarHBondContact O-N 3.48Å; P282-V334 HydrophobicContact CB-CG2 3.92Å; P282-V334 HydrophobicContact CG-CG2 4.04Å; V334-C336 HydrophobicContact CG1-CB 4.42Å; V334-C336 PolarHBondContact O-N 3.34Å; V334-C336 VanDerWaalsContact O-N 3.11Å; V334-S337 PolarHBondContact O-N 3.44Å; V334-S337 VanDerWaalsContact O-O 3.07Å
335	P	96.1	Very high	96.3	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.019	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	-29.5	-179.1	-32.7	39.8	0	0	0	116.3	I252 A279 G281 F283 S337 R338	I252-P335 HydrophobicContact CD1-CB 4.01Å; I252-P335 HydrophobicContact CD1-CG 4.24Å; A279-P335 VanDerWaalsContact O-CB 3.27Å; A279-P335 WeakPolarHBondContact O-CB 3.25Å; A279-P335 VanDerWaalsContact O-CG 3.26Å; A279-P335 WeakPolarHBondContact O-CG 3.41Å; G281-P335 WeakPolarHBondContact O-CD 3.32Å; G281-P335 WeakPolarHBondContact O-CG 3.22Å; F283-P335 HydrophobicContact CD1-CG 4.13Å; F283-P335 HydrophobicContact CE1-CG 3.7Å; P335-S337 VanDerWaalsContact C-N 3.29Å; P335-S337 PolarHBondContact O-N 2.59Å; P335-R338 WeakPolarHBondContact O-CG 3.34Å
336	C	96.7	Very high	95.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-14.2	179.5	-61.9	0	0	0	0	113.7	R100 C104 P220 A280 V334	R100-C336 VanDerWaalsContact CD-O 3.23Å; R100-C336 WeakPolarHBondContact CD-O 3.39Å; C104-C336 VanDerWaalsContact CA-SG 3.55Å; C104-C336 HydrophobicContact CB-CB 3.61Å; C104-C336 WeakPolarHBondContact CB-SG 3.15Å; C104-C336 WeakPolarHBondContact SG-CA 3.43Å; C104-C336 WeakPolarHBondContact SG-CB 3.34Å; C104-C336 CovalentContact SG-SG 2.04Å; C104-C336 PolarHBondContact SG-SG 3.36Å; P220-C336 HydrophobicContact CB-CB 4.17Å; P220-C336 HydrophobicContact CG-CB 4.14Å; A280-C336 PolarHBondContact O-SG 3.19Å; A280-C336 VanDerWaalsContact O-SG 3.39Å; V334-C336 HydrophobicContact CG1-CB 4.42Å; V334-C336 PolarHBondContact O-N 3.34Å; V334-C336 VanDerWaalsContact O-N 3.11Å
337	S	98.3	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.2	167.4	-176.5	0	0	0	0	109.2	W217 L221 P235 V236 V334 P335	W217-S337 WeakPolarHBondContact O-CB 3.23Å; W217-S337 PolarHBondContact O-OG 2.93Å; L221-S337 WeakPolarHBondContact CD2-OG 3.46Å; L221-S337 VanDerWaalsContact CG-OG 3.31Å; L221-S337 WeakPolarHBondContact CG-OG 3.35Å; P235-S337 CarbonylContact C-O 3.55Å; P235-S337 WeakPolarHBondContact CA-O 3.25Å; P235-S337 WeakPolarHBondContact CB-O 3.27Å; P235-S337 WeakPolarHBondContact CB-OG 3.28Å; V236-S337 PolarHBondContact N-O 3.28Å; V334-S337 PolarHBondContact O-N 3.44Å; V334-S337 VanDerWaalsContact O-O 3.07Å; P335-S337 VanDerWaalsContact C-N 3.29Å; P335-S337 PolarHBondContact O-N 2.59Å
338	R	98.2	Very high	94.2	Very high	15 Å²	15	35.7 Å²	35.7	6%	0.057	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.4	179.5	-55.8	-167.1	78.9	127.4	17.6	110.6	T99 R100 N214 V236 D238 S250 P335	T99-R338 WeakPolarHBondContact O-CD 3.31Å; T99-R338 PolarHBondContact O-NH1 2.91Å; T99-R338 WeakPolarHBondContact OG1-CD 3.22Å; T99-R338 PolarHBondContact OG1-NE 3.42Å; R100-R338 HydrophobicContact CG-CG 3.98Å; N214-R338 HydrophobicContact CB-CB 4.12Å; N214-R338 WeakPolarHBondContact CB-O 3.32Å; N214-R338 PolarHBondContact N-O 2.93Å; V236-R338 HydrophobicContact CB-CG 4.34Å; V236-R338 WeakPolarHBondContact O-CA 3.37Å; D238-R338 VanDerWaalsContact CG-NE 3.32Å; D238-R338 IonicContact OD1-CZ 2.76Å; D238-R338 IonicContact OD1-NE 2.77Å; D238-R338 PolarHBondContact OD1-NE 3.29Å; D238-R338 IonicContact OD1-NH2 3.75Å; D238-R338 PolarHBondContact OD1-NH2 3.04Å; D238-R338 IonicContact OD2-CZ 3.42Å; D238-R338 IonicContact OD2-NE 3.72Å; D238-R338 PolarHBondContact OD2-NE 3.04Å; D238-R338 IonicContact OD2-NH2 2.75Å; S250-R338 PolarHBondContact O-NH2 3.32Å; P335-R338 WeakPolarHBondContact O-CG 3.34Å
339	V	98.8	Very high	93.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	124.1	177.2	-176.6	0	0	0	0	108.2	L207 C211 V213 W217 P235 V236 I237 D238 L292	L207-V339 HydrophobicContact CD2-CG1 4.26Å; C211-V339 HydrophobicContact CB-CG1 3.82Å; V213-V339 HydrophobicContact CB-CG2 4.39Å; V213-V339 HydrophobicContact CG1-CG1 3.95Å; V213-V339 HydrophobicContact CG1-CG2 4.04Å; W217-V339 HydrophobicContact CD2-CG2 4.38Å; W217-V339 HydrophobicContact CE3-CG2 3.65Å; W217-V339 HydrophobicContact CZ3-CG2 4.22Å; P235-V339 HydrophobicContact CB-CB 4.5Å; P235-V339 HydrophobicContact CB-CG2 3.91Å; P235-V339 HydrophobicContact CG-CB 4.34Å; P235-V339 HydrophobicContact CG-CG2 3.92Å; V236-V339 PolarHBondContact O-N 3.39Å; I237-V339 CarbonylContact C-O 3.55Å; I237-V339 WeakPolarHBondContact CA-O 3.41Å; D238-V339 PolarHBondContact N-O 2.94Å; L292-V339 HydrophobicContact CD2-CB 3.5Å; L292-V339 HydrophobicContact CD2-CG1 3.31Å; L292-V339 HydrophobicContact CD2-CG2 4.16Å
340	G	98.4	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	141.2	174.8	0	0	0	0	0	110.3	C211 E212 D238 Y247	C211-G340 CarbonylContact C-O 3.49Å; C211-G340 WeakPolarHBondContact CA-O 3.05Å; C211-G340 WeakPolarHBondContact CB-O 3.43Å; E212-G340 PolarHBondContact N-O 2.61Å; E212-G340 PolarHBondContact O-N 3.02Å; D238-G340 CarbonylContact O-C 3.55Å; D238-G340 WeakPolarHBondContact O-CA 3.49Å; Y247-G340 PolarHBondContact OH-N 2.91Å; Y247-G340 VanDerWaalsContact OH-N 3.16Å
341	H	98.4	Very high	91.5	Very high	26 Å²	26	36.5 Å²	36.5	12%	0.12	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.5	177.9	173.4	-83.5	0	0	0	109.7	D208 H210 I237 D238 V240 F343	D208-H341 IonicContact OD2-CD2 3.59Å; D208-H341 IonicContact OD2-NE2 3.31Å; H210-H341 AromaticContact CD2-CD2 3.88Å; H210-H341 AromaticContact CD2-CE1 3.86Å; H210-H341 AromaticContact CD2-NE2 3.42Å; H210-H341 PolarHBondContact CD2-NE2 3.35Å; H210-H341 AromaticContact NE2-CE1 3.76Å; H210-H341 AromaticContact NE2-NE2 3.24Å; H210-H341 PolarHBondContact NE2-NE2 3.47Å; I237-H341 HydrophobicContact CG2-CB 3.54Å; D238-H341 PolarHBondContact O-N 2.86Å; V240-H341 PolarHBondContact N-O 2.72Å; H341-F343 HydrophobicContact CB-CE2 4.11Å; H341-F343 HydrophobicContact CB-CZ 4.42Å; H341-F343 AromaticContact ND1-CD1 3.88Å; H341-F343 AromaticContact ND1-CD2 3.93Å; H341-F343 AromaticContact ND1-CE1 3.88Å; H341-F343 AromaticContact ND1-CE2 3.94Å; H341-F343 AromaticContact ND1-CG 3.92Å; H341-F343 AromaticContact ND1-CZ 3.92Å; H341-F343 WeakPolarHBondContact O-CD2 3.36Å; H341-F343 PolarHBondContact O-N 3.13Å; H341-F343 VanDerWaalsContact O-N 3.12Å
342	I	97.3	Very high	90.3	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	104.4	176.4	-57.8	-179.4	0	0	0	110	F82 A129 H210 V240 A242 L245 R344	F82-I342 HydrophobicContact CB-CG2 4.03Å; F82-I342 HydrophobicContact CD1-CG2 4.49Å; F82-I342 HydrophobicContact CD2-CD1 4.45Å; F82-I342 HydrophobicContact CE2-CD1 4.36Å; F82-I342 HydrophobicContact CG-CG2 4.17Å; A129-I342 HydrophobicContact CB-CD1 4.36Å; H210-I342 HydrophobicContact CB-CB 4.23Å; H210-I342 HydrophobicContact CB-CD1 4.01Å; H210-I342 HydrophobicContact CB-CG1 4.2Å; H210-I342 PolarHBondContact O-N 3.18Å; H210-I342 VanDerWaalsContact O-N 3.1Å; V240-I342 HydrophobicContact CB-CG1 3.94Å; V240-I342 HydrophobicContact CG1-CG1 3.83Å; V240-I342 WeakPolarHBondContact O-CA 3.45Å; A242-I342 HydrophobicContact CB-CG2 4.17Å; L245-I342 HydrophobicContact CD1-CD1 3.7Å; L245-I342 HydrophobicContact CD1-CG1 4.3Å; I342-R344 HydrophobicContact CG2-CG 4.39Å; I342-R344 PolarHBondContact O-N 3.4Å
343	F	90.6	Very high	89.3	Confident	87 Å²	87	43.4 Å²	43.4	38%	0.382	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	97.9	178.1	-74.3	-83	0	0	0	111.4	I237 I239 V240 A242 H341	I237-F343 HydrophobicContact CG2-CE2 4.05Å; I237-F343 HydrophobicContact CG2-CZ 3.75Å; I239-F343 HydrophobicContact CB-CD2 4.14Å; I239-F343 HydrophobicContact CB-CE2 4.37Å; I239-F343 HydrophobicContact CG1-CD2 3.9Å; I239-F343 HydrophobicContact CG1-CE2 3.84Å; I239-F343 HydrophobicContact CG2-CD2 4.05Å; V240-F343 PolarHBondContact O-N 3.47Å; A242-F343 WeakPolarHBondContact CB-O 3.25Å; H341-F343 HydrophobicContact CB-CE2 4.11Å; H341-F343 HydrophobicContact CB-CZ 4.42Å; H341-F343 AromaticContact ND1-CD1 3.88Å; H341-F343 AromaticContact ND1-CD2 3.93Å; H341-F343 AromaticContact ND1-CE1 3.88Å; H341-F343 AromaticContact ND1-CE2 3.94Å; H341-F343 AromaticContact ND1-CG 3.92Å; H341-F343 AromaticContact ND1-CZ 3.92Å; H341-F343 WeakPolarHBondContact O-CD2 3.36Å; H341-F343 PolarHBondContact O-N 3.13Å; H341-F343 VanDerWaalsContact O-N 3.12Å
344	R	89.7	Confident	88.4	Confident	49 Å²	49	46.4 Å²	46.4	19%	0.185	26%	0.261	C	S	.	.			trans	-74.4	146.2	178.8	-60.3	169.7	-174.6	-177.3	-4.4	111.4	H80 A81 E125 H210 I342 R346 P348	H80-R344 VanDerWaalsContact O-CD 3.29Å; H80-R344 WeakPolarHBondContact O-CD 3.49Å; H80-R344 PolarHBondContact O-NE 3.41Å; A81-R344 HydrophobicContact CB-CB 4.2Å; A81-R344 HydrophobicContact CB-CG 4.45Å; E125-R344 VanDerWaalsContact CD-NH2 3.27Å; E125-R344 IonicContact OE1-CZ 3.55Å; E125-R344 IonicContact OE1-NH1 3.08Å; E125-R344 IonicContact OE1-NH2 3.4Å; E125-R344 PolarHBondContact OE1-NH2 2.86Å; E125-R344 IonicContact OE2-CZ 3.83Å; E125-R344 IonicContact OE2-NH1 3.92Å; E125-R344 IonicContact OE2-NH2 3.02Å; E125-R344 PolarHBondContact OE2-NH2 3.05Å; E125-R344 VanDerWaalsContact OE2-NH2 3.14Å; H210-R344 PolarHBondContact ND1-NH2 3.37Å; H210-R344 VanDerWaalsContact ND1-NH2 3.17Å; I342-R344 HydrophobicContact CG2-CG 4.39Å; I342-R344 PolarHBondContact O-N 3.4Å; R344-R346 VanDerWaalsContact C-N 3.29Å; R344-R346 WeakPolarHBondContact CB-O 3.4Å; R344-R346 PolarHBondContact O-N 3.17Å; R344-P348 VanDerWaalsContact NH1-CG 3.28Å
345	K	78.8	Confident	87.8	Confident	122 Å²	122	52.2 Å²	52.2	53%	0.53	29%	0.288	S	S	.	.	S	Bend	trans	-71.7	-23.6	176.4	-68.3	173.4	-177.4	160.4	0	113.3	D243 E503	D243-K345 IonicContact OD1-NZ 3.09Å; D243-K345 PolarHBondContact OD1-NZ 3.09Å; D243-K345 VanDerWaalsContact OD2-CE 3.29Å; D243-K345 WeakPolarHBondContact OD2-CE 3.42Å; D243-K345 IonicContact OD2-NZ 2.69Å; D243-K345 PolarHBondContact OD2-NZ 3.09Å; K345-E503 WeakPolarHBondContact CE-OE2 3.41Å; K345-E503 IonicContact NZ-OE1 3.8Å; K345-E503 PolarHBondContact NZ-OE1 2.88Å; K345-E503 IonicContact NZ-OE2 3.43Å; K345-E503 PolarHBondContact NZ-OE2 2.84Å
346	R	86	Confident	87.5	Confident	116 Å²	116	54.8 Å²	54.8	44%	0.438	30%	0.302	S	S	.	.	S	Bend	trans	-144.5	160.8	175.8	66.4	177.8	-178.9	90.8	1.3	110.1	Y77 Q78 A81 R344	Y77-R346 PolarHBondContact O-NH2 3Å; Q78-R346 VanDerWaalsContact C-NH2 3.27Å; Q78-R346 PolarHBondContact O-NH2 2.95Å; A81-R346 HydrophobicContact CB-CG 3.62Å; A81-R346 WeakPolarHBondContact CB-O 3.36Å; R344-R346 VanDerWaalsContact C-N 3.29Å; R344-R346 WeakPolarHBondContact CB-O 3.4Å; R344-R346 PolarHBondContact O-N 3.17Å
347	R	83.3	Confident	87.3	Confident	152 Å²	152	55.7 Å²	55.7	57%	0.574	31%	0.307	S	S	*	.			trans	-74.5	130.2	168.3	-57.3	177	-146.2	-96.7	5.6	108.7	W313 Y349	W313-R347 VanDerWaalsContact CD2-NH1 3.31Å; W313-R347 VanDerWaalsContact CH2-NH2 3.29Å; R347-Y349 VanDerWaalsContact C-N 3.33Å
348	P	81.3	Confident	87	Confident	29 Å²	29	56.9 Å²	56.9	19%	0.188	31%	0.313	C	S	.	.	S	Bend	trans	-74.8	-25	177	22.8	-25.9	0	0	0	112.9	R79 R344	R79-P348 WeakPolarHBondContact O-CB 3.36Å; R344-P348 VanDerWaalsContact NH1-CG 3.28Å
349	Y	80.1	Confident	86.8	Confident	59 Å²	59	56.2 Å²	56.2	23%	0.231	31%	0.31	C	S	.	.			trans	-129.1	141.3	-176.8	-43.8	-63.2	0	0	0	111.5	R79 H80 F123 N124 R347	R79-Y349 PolarHBondContact O-OH 3.05Å; H80-Y349 PolarHBondContact ND1-OH 2.77Å; F123-Y349 HydrophobicContact CD1-CD1 4.27Å; F123-Y349 AromaticContact CD1-CD2 3.67Å; F123-Y349 HydrophobicContact CD1-CD2 3.67Å; F123-Y349 HydrophobicContact CD1-CE2 4.32Å; F123-Y349 AromaticContact CD1-CG 3.68Å; F123-Y349 HydrophobicContact CD1-CG 3.68Å; F123-Y349 AromaticContact CE1-CD1 3.89Å; F123-Y349 HydrophobicContact CE1-CD1 3.89Å; F123-Y349 HydrophobicContact CE1-CD2 4.12Å; F123-Y349 AromaticContact CE1-CG 3.65Å; F123-Y349 HydrophobicContact CE1-CG 3.65Å; F123-Y349 WeakPolarHBondContact O-CE2 3.5Å; N124-Y349 HydrophobicContact CB-CD1 4.38Å; N124-Y349 HydrophobicContact CB-CE1 3.63Å; N124-Y349 HydrophobicContact CB-CE2 3.77Å; N124-Y349 WeakPolarHBondContact CB-OH 3.45Å; N124-Y349 PolarHBondContact O-OH 3.05Å; R347-Y349 VanDerWaalsContact C-N 3.33Å
350	G	77.4	Confident	86.7	Confident	52 Å²	52	57.7 Å²	57.7	54%	0.536	32%	0.317	S	S	.	.			trans	-109.2	-172.8	173	0	0	0	0	0	112	R185	R185-G350 VanDerWaalsContact CZ-O 3.29Å; R185-G350 PolarHBondContact NH1-O 3.34Å; R185-G350 PolarHBondContact NH2-O 3.04Å
351	S	79.4	Confident	86.6	Confident	20 Å²	20	57.7 Å²	57.7	14%	0.14	32%	0.317	C	S	.	.			trans	-67.3	144.6	168.5	55	0	0	0	0	110.2	G353 G354 Q355	S351-G353 PolarHBondContact O-N 3.22Å; S351-G353 VanDerWaalsContact O-N 3.1Å; S351-G354 PolarHBondContact O-N 3.45Å; S351-G354 WeakPolarHBondContact OG-CA 3.35Å; S351-G354 PolarHBondContact OG-N 3.19Å; S351-Q355 PolarHBondContact OG-N 3.22Å; S351-Q355 PolarHBondContact OG-O 3.03Å
352	P	75.4	Confident	86.6	Confident	104 Å²	104	56.5 Å²	56.5	68%	0.675	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.3	-176.2	-25.4	33.3	0	0	0	114.1	R185	R185-P352 VanDerWaalsContact NH1-CD 3.31Å
353	G	76.1	Confident	86.6	Confident	62 Å²	62	56.3 Å²	56.3	64%	0.639	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	13.3	179.7	0	0	0	0	0	115.3	S351 Q355	S351-G353 PolarHBondContact O-N 3.22Å; S351-G353 VanDerWaalsContact O-N 3.1Å; G353-Q355 PolarHBondContact O-N 3.31Å; G353-Q355 VanDerWaalsContact O-N 3.1Å
354	G	80.3	Confident	87	Confident	70 Å²	70	52.7 Å²	52.7	72%	0.722	30%	0.295	S	S	*	.			trans	64.7	13.9	-177.5	0	0	0	0	0	114.8	S351	S351-G354 PolarHBondContact O-N 3.45Å; S351-G354 WeakPolarHBondContact OG-CA 3.35Å; S351-G354 PolarHBondContact OG-N 3.19Å
355	Q	84.5	Confident	87.4	Confident	127 Å²	127	50.3 Å²	50.3	59%	0.593	29%	0.286	S	S	*	.			trans	-64	140.9	177.6	-61.4	-179.5	1.6	0	0	110.9	S351 G353 T357	S351-Q355 PolarHBondContact OG-N 3.22Å; S351-Q355 PolarHBondContact OG-O 3.03Å; G353-Q355 PolarHBondContact O-N 3.31Å; G353-Q355 VanDerWaalsContact O-N 3.1Å; Q355-T357 VanDerWaalsContact C-N 3.28Å; Q355-T357 PolarHBondContact O-N 3.4Å
356	D	88.6	Confident	88.3	Confident	57 Å²	57	44.6 Å²	44.6	31%	0.305	26%	0.261	S	S	.	.			trans	-74.4	82.4	171.5	179.4	2.4	0	0	0	109.5	M358 A359 H360 R381 R387	D356-M358 VanDerWaalsContact C-N 3.29Å; D356-M358 PolarHBondContact OD1-N 3.01Å; D356-A359 HydrophobicContact CB-CB 4.36Å; D356-A359 VanDerWaalsContact CG-CB 3.41Å; D356-A359 PolarHBondContact O-N 3.06Å; D356-A359 WeakPolarHBondContact OD1-CB 3.49Å; D356-A359 PolarHBondContact OD1-N 3.2Å; D356-A359 WeakPolarHBondContact OD2-CB 3.43Å; D356-H360 PolarHBondContact O-N 2.8Å; D356-R381 IonicContact OD2-CZ 3.31Å; D356-R381 IonicContact OD2-NH1 2.65Å; D356-R381 IonicContact OD2-NH2 2.78Å; D356-R381 PolarHBondContact OD2-NH2 2.81Å; D356-R387 PolarHBondContact O-NH2 3.34Å; D356-R387 IonicContact OD2-NH1 3.99Å
357	T	92.4	Very high	88.9	Confident	18 Å²	18	41.5 Å²	41.5	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-33.4	179.6	58.3	0	0	0	0	111.5	D311 I312 W313 Q355 A359 H360 N361	D311-T357 HydrophobicContact CB-CG2 3.94Å; D311-T357 WeakPolarHBondContact O-CB 3.19Å; I312-T357 HydrophobicContact CB-CG2 4.2Å; I312-T357 HydrophobicContact CG1-CG2 4.28Å; W313-T357 PolarHBondContact O-OG1 3.2Å; Q355-T357 VanDerWaalsContact C-N 3.28Å; Q355-T357 PolarHBondContact O-N 3.4Å; T357-A359 VanDerWaalsContact C-N 3.34Å; T357-A359 PolarHBondContact O-N 3.24Å; T357-H360 PolarHBondContact O-N 3.03Å; T357-N361 WeakPolarHBondContact O-CB 3.1Å; T357-N361 PolarHBondContact O-N 3.15Å; T357-N361 PolarHBondContact O-ND2 3.48Å; T357-N361 PolarHBondContact O-OD1 3.4Å
358	M	92.1	Very high	89.6	Confident	26 Å²	26	34.5 Å²	34.5	13%	0.128	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-46.1	177.2	-176.1	69.2	-170.8	0	0	110.8	L261 W313 G314 D356 S362	L261-M358 WeakPolarHBondContact O-CE 3.29Å; W313-M358 HydrophobicContact CZ3-SD 3.9Å; G314-M358 WeakPolarHBondContact CA-SD 3.29Å; D356-M358 VanDerWaalsContact C-N 3.29Å; D356-M358 PolarHBondContact OD1-N 3.01Å; M358-S362 WeakPolarHBondContact O-CB 3.44Å; M358-S362 PolarHBondContact O-N 2.68Å; M358-S362 PolarHBondContact O-OG 3.16Å
359	A	94.4	Very high	90.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-43.4	177.3	0	0	0	0	0	113	D356 T357 S362 L363 L384	D356-A359 HydrophobicContact CB-CB 4.36Å; D356-A359 VanDerWaalsContact CG-CB 3.41Å; D356-A359 PolarHBondContact O-N 3.06Å; D356-A359 WeakPolarHBondContact OD1-CB 3.49Å; D356-A359 PolarHBondContact OD1-N 3.2Å; D356-A359 WeakPolarHBondContact OD2-CB 3.43Å; T357-A359 VanDerWaalsContact C-N 3.34Å; T357-A359 PolarHBondContact O-N 3.24Å; A359-S362 PolarHBondContact O-N 2.97Å; A359-L363 WeakPolarHBondContact O-CG 3.32Å; A359-L363 PolarHBondContact O-N 3.09Å; A359-L384 HydrophobicContact CB-CD1 4.14Å; A359-L384 HydrophobicContact CB-CD2 3.92Å
360	H	95.9	Very high	91.3	Very high	31 Å²	31	30.3 Å²	30.3	14%	0.144	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-52.6	177	174.4	76.8	0	0	0	111	G309 D311 D356 T357 S362 L363 R364 Y389	G309-H360 PolarHBondContact O-NE2 3.42Å; G309-H360 VanDerWaalsContact O-NE2 3.07Å; D311-H360 IonicContact OD2-CD2 3.14Å; D311-H360 PolarHBondContact OD2-CD2 2.77Å; D311-H360 VanDerWaalsContact OD2-CD2 3.31Å; D311-H360 IonicContact OD2-NE2 2.82Å; D311-H360 PolarHBondContact OD2-NE2 2.8Å; D356-H360 PolarHBondContact O-N 2.8Å; T357-H360 PolarHBondContact O-N 3.03Å; H360-S362 VanDerWaalsContact C-N 3.33Å; H360-S362 PolarHBondContact O-N 3.34Å; H360-L363 PolarHBondContact O-N 2.8Å; H360-R364 WeakPolarHBondContact O-CG 3.37Å; H360-R364 PolarHBondContact O-N 3.49Å; H360-R364 VanDerWaalsContact O-N 3.1Å; H360-Y389 PolarHBondContact CE1-O 2.91Å
361	N	97.4	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-39.1	179.9	-60.1	-9.2	0	0	0	111.5	M310 D311 W313 G314 T357 L363 R364 L365	M310-N361 VanDerWaalsContact CA-OD1 3.25Å; M310-N361 WeakPolarHBondContact CA-OD1 3.3Å; M310-N361 HydrophobicContact CB-CB 4.31Å; M310-N361 WeakPolarHBondContact CB-OD1 3.47Å; M310-N361 HydrophobicContact CE-CB 4.23Å; M310-N361 WeakPolarHBondContact CE-O 3.16Å; M310-N361 HydrophobicContact CG-CB 3.99Å; M310-N361 HydrophobicContact SD-CB 4.17Å; D311-N361 PolarHBondContact N-OD1 3.04Å; D311-N361 PolarHBondContact O-ND2 3.31Å; W313-N361 PolarHBondContact O-ND2 2.82Å; G314-N361 WeakPolarHBondContact O-CB 3.46Å; G314-N361 PolarHBondContact O-ND2 3.42Å; T357-N361 WeakPolarHBondContact O-CB 3.1Å; T357-N361 PolarHBondContact O-N 3.15Å; T357-N361 PolarHBondContact O-ND2 3.48Å; T357-N361 PolarHBondContact O-OD1 3.4Å; N361-L363 VanDerWaalsContact C-N 3.34Å; N361-L363 PolarHBondContact O-N 3.29Å; N361-R364 WeakPolarHBondContact O-CB 3.43Å; N361-R364 PolarHBondContact O-N 3.48Å; N361-L365 PolarHBondContact O-N 3.47Å
362	S	97.4	Very high	93.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-33.5	176.9	-61.8	0	0	0	0	112.9	M358 A359 H360 L365 A366 Y377	M358-S362 WeakPolarHBondContact O-CB 3.44Å; M358-S362 PolarHBondContact O-N 2.68Å; M358-S362 PolarHBondContact O-OG 3.16Å; A359-S362 PolarHBondContact O-N 2.97Å; H360-S362 VanDerWaalsContact C-N 3.33Å; H360-S362 PolarHBondContact O-N 3.34Å; S362-L365 WeakPolarHBondContact O-CG 3.5Å; S362-A366 WeakPolarHBondContact O-CB 3.36Å; S362-A366 PolarHBondContact O-N 2.97Å; S362-Y377 VanDerWaalsContact CB-OH 3.32Å; S362-Y377 WeakPolarHBondContact CB-OH 3.19Å
363	L	97.9	Very high	94	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-45.6	171.1	-76.9	166.7	0	0	0	111.1	A359 H360 N361 L365 A366 H367 Y377 L378 L384 R387 Y389	A359-L363 WeakPolarHBondContact O-CG 3.32Å; A359-L363 PolarHBondContact O-N 3.09Å; H360-L363 PolarHBondContact O-N 2.8Å; N361-L363 VanDerWaalsContact C-N 3.34Å; N361-L363 PolarHBondContact O-N 3.29Å; L363-L365 PolarHBondContact O-N 3.47Å; L363-A366 PolarHBondContact O-N 2.89Å; L363-H367 WeakPolarHBondContact O-CB 3.38Å; L363-H367 PolarHBondContact O-CD2 2.81Å; L363-H367 PolarHBondContact O-N 3.42Å; L363-Y377 HydrophobicContact CD2-CE1 4.23Å; L363-Y377 HydrophobicContact CG-CE1 4.45Å; L363-L378 HydrophobicContact CD2-CD2 3.88Å; L363-L384 HydrophobicContact CD1-CB 4.24Å; L363-L384 HydrophobicContact CD2-CB 4.13Å; L363-L384 HydrophobicContact CG-CB 4.49Å; L363-R387 HydrophobicContact CD1-CB 3.95Å; L363-R387 HydrophobicContact CD1-CG 4.16Å; L363-Y389 HydrophobicContact CB-CD1 3.98Å; L363-Y389 HydrophobicContact CB-CG 4.03Å; L363-Y389 HydrophobicContact CD1-CD1 4.36Å
364	R	98.4	Very high	95	Very high	11 Å²	11	32.5 Å²	32.5	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-56.2	-50	176.5	-64.8	-178.8	66.5	80.1	-0.8	111.6	D307 G309 M310 H360 N361 A366 V368 Y389 D391 I392	D307-R364 IonicContact OD1-CZ 2.73Å; D307-R364 IonicContact OD1-NE 3.21Å; D307-R364 IonicContact OD1-NH2 2.77Å; D307-R364 PolarHBondContact OD1-NH2 3.42Å; D307-R364 IonicContact OD2-CZ 2.67Å; D307-R364 IonicContact OD2-NE 2.63Å; D307-R364 PolarHBondContact OD2-NE 3.17Å; D307-R364 IonicContact OD2-NH2 2.96Å; D307-R364 PolarHBondContact OD2-NH2 2.98Å; G309-R364 VanDerWaalsContact O-CD 3.31Å; G309-R364 WeakPolarHBondContact O-CD 3.36Å; G309-R364 PolarHBondContact O-NE 3.19Å; M310-R364 HydrophobicContact CE-CB 4.49Å; H360-R364 WeakPolarHBondContact O-CG 3.37Å; H360-R364 PolarHBondContact O-N 3.49Å; H360-R364 VanDerWaalsContact O-N 3.1Å; N361-R364 WeakPolarHBondContact O-CB 3.43Å; N361-R364 PolarHBondContact O-N 3.48Å; R364-A366 PolarHBondContact O-N 3.28Å; R364-V368 VanDerWaalsContact O-CG2 3.26Å; R364-V368 WeakPolarHBondContact O-CG2 3.14Å; R364-V368 PolarHBondContact O-N 3.41Å; R364-Y389 WeakPolarHBondContact CD-O 3.35Å; R364-Y389 WeakPolarHBondContact CG-O 3.43Å; R364-Y389 PolarHBondContact NH1-O 2.94Å; R364-D391 PolarHBondContact NH1-O 2.82Å; R364-D391 PolarHBondContact NH2-O 2.78Å; R364-I392 HydrophobicContact CB-CG2 4.33Å; R364-I392 HydrophobicContact CG-CG2 4.22Å
365	L	98.2	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-41.1	179.9	85.7	90.5	0	0	0	111.9	L261 M310 G315 L318 E319 F322 N361 S362 L363 V368 W369 M370	L261-L365 HydrophobicContact CD1-CD1 3.97Å; L261-L365 HydrophobicContact CD1-CD2 4.44Å; L261-L365 HydrophobicContact CD1-CG 4.25Å; L261-L365 HydrophobicContact CD2-CD1 4.27Å; M310-L365 HydrophobicContact CE-CB 3.98Å; G315-L365 WeakPolarHBondContact O-CD2 3.32Å; L318-L365 HydrophobicContact CB-CD2 4.4Å; E319-L365 HydrophobicContact CB-CB 3.82Å; E319-L365 HydrophobicContact CG-CB 3.74Å; F322-L365 HydrophobicContact CD2-CD1 4.06Å; F322-L365 HydrophobicContact CE2-CD1 3.64Å; N361-L365 PolarHBondContact O-N 3.47Å; S362-L365 WeakPolarHBondContact O-CG 3.5Å; L363-L365 PolarHBondContact O-N 3.47Å; L365-V368 PolarHBondContact O-N 3.48Å; L365-W369 WeakPolarHBondContact O-CB 3.28Å; L365-W369 PolarHBondContact O-N 2.87Å; L365-M370 HydrophobicContact CD1-SD 4.18Å
366	A	98.1	Very high	95.8	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-44.6	-178.4	0	0	0	0	0	111.9	L261 S362 L363 R364 V368 M370 K374 Y377	L261-A366 HydrophobicContact CD1-CB 4.15Å; S362-A366 WeakPolarHBondContact O-CB 3.36Å; S362-A366 PolarHBondContact O-N 2.97Å; L363-A366 PolarHBondContact O-N 2.89Å; R364-A366 PolarHBondContact O-N 3.28Å; A366-V368 VanDerWaalsContact C-N 3.31Å; A366-V368 PolarHBondContact O-N 3.4Å; A366-M370 HydrophobicContact CB-CG 4.48Å; A366-M370 HydrophobicContact CB-SD 3.66Å; A366-M370 WeakPolarHBondContact O-CB 3.05Å; A366-M370 PolarHBondContact O-N 3.38Å; A366-M370 VanDerWaalsContact O-N 3.15Å; A366-K374 HydrophobicContact CB-CB 4Å; A366-Y377 HydrophobicContact CB-CD1 4.31Å
367	H	98.3	Very high	96	Very high	51 Å²	51	28.7 Å²	28.7	24%	0.236	14%	0.14	C	C	.	.	H	α-helix	trans	-68.1	-28.6	179.7	-82.6	-91.4	0	0	0	113.3	L363 Y389 I392	L363-H367 WeakPolarHBondContact O-CB 3.38Å; L363-H367 PolarHBondContact O-CD2 2.81Å; L363-H367 PolarHBondContact O-N 3.42Å; H367-Y389 HydrophobicContact CB-CE2 4.38Å; H367-Y389 AromaticContact CD2-CE1 3.65Å; H367-Y389 AromaticContact CD2-CZ 3.83Å; H367-Y389 AromaticContact CE1-CE1 3.72Å; H367-Y389 AromaticContact CE1-CZ 3.73Å; H367-Y389 PolarHBondContact CE1-OH 2.93Å; H367-Y389 AromaticContact CG-CZ 3.76Å; H367-Y389 AromaticContact ND1-CZ 3.69Å; H367-Y389 PolarHBondContact ND1-OH 3.22Å; H367-Y389 AromaticContact NE2-CE1 3.43Å; H367-Y389 WeakPolarHBondContact NE2-CE1 3.18Å; H367-Y389 AromaticContact NE2-CZ 3.83Å; H367-I392 HydrophobicContact CB-CD1 3.68Å
368	V	98.6	Very high	95.9	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.024	14%	0.137	C	C	.	.	H	α-helix	trans	-87.2	-42	179.4	178.1	0	0	0	0	112.3	R364 L365 A366 I392 R395 V396 R399	R364-V368 VanDerWaalsContact O-CG2 3.26Å; R364-V368 WeakPolarHBondContact O-CG2 3.14Å; R364-V368 PolarHBondContact O-N 3.41Å; L365-V368 PolarHBondContact O-N 3.48Å; A366-V368 VanDerWaalsContact C-N 3.31Å; A366-V368 PolarHBondContact O-N 3.4Å; V368-I392 HydrophobicContact CG2-CB 3.9Å; V368-I392 HydrophobicContact CG2-CD1 3.9Å; V368-I392 HydrophobicContact CG2-CG1 4.43Å; V368-I392 HydrophobicContact CG2-CG2 4.24Å; V368-R395 HydrophobicContact CB-CB 4.45Å; V368-R395 HydrophobicContact CG1-CB 3.88Å; V368-R395 HydrophobicContact CG2-CB 3.71Å; V368-V396 HydrophobicContact CG2-CG2 4.31Å; V368-R399 VanDerWaalsContact O-CD 3.28Å; V368-R399 WeakPolarHBondContact O-CD 3.36Å; V368-R399 PolarHBondContact O-NH1 3.31Å
369	W	98.6	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-114.5	-19.9	-162.8	-61.8	105	0	0	0	115.3	E319 F322 R323 M326 L365 R399 C404 F407	E319-W369 PolarHBondContact OE1-NE1 3.21Å; F322-W369 HydrophobicContact CB-CB 4.24Å; F322-W369 HydrophobicContact CB-CG 4.42Å; F322-W369 HydrophobicContact CD2-CB 4.11Å; R323-W369 HydrophobicContact CB-CH2 3.69Å; R323-W369 HydrophobicContact CB-CZ2 3.69Å; R323-W369 HydrophobicContact CB-CZ3 4.14Å; R323-W369 HydrophobicContact CG-CH2 3.6Å; R323-W369 HydrophobicContact CG-CZ2 3.86Å; R323-W369 HydrophobicContact CG-CZ3 4.32Å; M326-W369 HydrophobicContact CE-CE3 4.13Å; M326-W369 WeakPolarHBondContact CE-O 3.29Å; M326-W369 HydrophobicContact SD-CE3 4.08Å; L365-W369 WeakPolarHBondContact O-CB 3.28Å; L365-W369 PolarHBondContact O-N 2.87Å; W369-R399 HydrophobicContact CE3-CG 4.23Å; W369-R399 HydrophobicContact CH2-CB 4.04Å; W369-R399 HydrophobicContact CH2-CG 4.14Å; W369-R399 HydrophobicContact CZ3-CB 4.12Å; W369-R399 HydrophobicContact CZ3-CG 3.7Å; W369-C404 HydrophobicContact CZ3-CB 4.24Å; W369-F407 WeakPolarHBondContact O-CB 3.44Å; W369-F407 VanDerWaalsContact O-CD2 3.28Å; W369-F407 WeakPolarHBondContact O-CD2 3.41Å
370	M	98.2	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.			trans	-94.8	-0.2	-170.4	-65.2	176.4	68	0	0	115.1	W259 L261 F322 L365 A366 D372 F373 K374 F407	W259-M370 HydrophobicContact CE3-CE 4.22Å; W259-M370 HydrophobicContact CZ3-CE 3.98Å; L261-M370 HydrophobicContact CD1-SD 3.95Å; L261-M370 HydrophobicContact CD2-CE 3.93Å; L261-M370 HydrophobicContact CD2-SD 3.66Å; L261-M370 HydrophobicContact CG-SD 4.38Å; F322-M370 HydrophobicContact CE2-CG 4.3Å; L365-M370 HydrophobicContact CD1-SD 4.18Å; A366-M370 HydrophobicContact CB-CG 4.48Å; A366-M370 HydrophobicContact CB-SD 3.66Å; A366-M370 WeakPolarHBondContact O-CB 3.05Å; A366-M370 PolarHBondContact O-N 3.38Å; A366-M370 VanDerWaalsContact O-N 3.15Å; M370-D372 PolarHBondContact O-N 2.91Å; M370-F373 WeakPolarHBondContact O-CA 3.34Å; M370-F373 VanDerWaalsContact O-CB 3.26Å; M370-F373 WeakPolarHBondContact O-CB 3.47Å; M370-F373 PolarHBondContact O-N 2.96Å; M370-K374 HydrophobicContact CB-CB 4.12Å; M370-F407 HydrophobicContact CB-CD1 4.38Å; M370-F407 HydrophobicContact CB-CE1 4.47Å; M370-F407 HydrophobicContact CB-CG 4.39Å; M370-F407 HydrophobicContact CE-CE1 4.31Å; M370-F407 HydrophobicContact CE-CZ 4.36Å; M370-F407 HydrophobicContact CG-CD2 4.29Å; M370-F407 HydrophobicContact CG-CE1 4.26Å; M370-F407 HydrophobicContact CG-CE2 3.98Å; M370-F407 HydrophobicContact CG-CZ 3.94Å
371	D	98.1	Very high	95	Very high	49 Å²	49	36.6 Å²	36.6	26%	0.262	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	50.6	-132.2	-176.5	-55.8	-31	0	0	0	110.7	F373 K374 R399 S406 F407	D371-F373 VanDerWaalsContact C-N 3.26Å; D371-F373 PolarHBondContact O-N 3.2Å; D371-K374 WeakPolarHBondContact O-CD 3.44Å; D371-K374 WeakPolarHBondContact O-CG 3.34Å; D371-R399 IonicContact OD1-CZ 3.69Å; D371-R399 IonicContact OD1-NH1 3.37Å; D371-R399 PolarHBondContact OD1-NH1 3.46Å; D371-R399 IonicContact OD1-NH2 2.9Å; D371-R399 PolarHBondContact OD1-NH2 2.04Å; D371-R399 IonicContact OD2-NH2 2.62Å; D371-R399 PolarHBondContact OD2-NH2 3.16Å; D371-S406 WeakPolarHBondContact OD2-CA 3.49Å; D371-S406 WeakPolarHBondContact OD2-CB 3.41Å; D371-F407 HydrophobicContact CB-CB 4.41Å; D371-F407 PolarHBondContact OD2-N 2.73Å
372	D	95.1	Very high	94.6	Very high	138 Å²	138	40.3 Å²	40.3	74%	0.738	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-74.1	-15.4	176.6	-60.9	-31.7	0	0	0	113.1	M370 K374 E375	M370-D372 PolarHBondContact O-N 2.91Å; D372-K374 PolarHBondContact O-N 3.39Å; D372-E375 WeakPolarHBondContact O-CB 3.48Å; D372-E375 PolarHBondContact O-N 3.02Å
373	F	95.8	Very high	94.4	Very high	48 Å²	48	45.7 Å²	45.7	21%	0.211	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-70.6	-12.2	178.8	-64.7	-93.1	0	0	0	113.2	W259 M370 D371 E375 Q376 F407 R408 L411	W259-F373 HydrophobicContact CH2-CB 4.38Å; W259-F373 AromaticContact CH2-CD1 3.94Å; W259-F373 HydrophobicContact CH2-CD1 3.94Å; W259-F373 HydrophobicContact CZ3-CB 4.17Å; M370-F373 WeakPolarHBondContact O-CA 3.34Å; M370-F373 VanDerWaalsContact O-CB 3.26Å; M370-F373 WeakPolarHBondContact O-CB 3.47Å; M370-F373 PolarHBondContact O-N 2.96Å; D371-F373 VanDerWaalsContact C-N 3.26Å; D371-F373 PolarHBondContact O-N 3.2Å; F373-E375 PolarHBondContact O-N 2.86Å; F373-E375 VanDerWaalsContact O-N 3.15Å; F373-Q376 WeakPolarHBondContact O-CB 3.31Å; F373-Q376 PolarHBondContact O-N 3.37Å; F373-F407 HydrophobicContact CB-CD1 3.68Å; F373-F407 HydrophobicContact CB-CE1 3.98Å; F373-F407 HydrophobicContact CD2-CB 4.31Å; F373-F407 AromaticContact CD2-CD1 3.79Å; F373-F407 HydrophobicContact CD2-CD1 3.79Å; F373-F407 AromaticContact CG-CD1 3.79Å; F373-F407 HydrophobicContact CG-CD1 3.79Å; F373-F407 HydrophobicContact CG-CE1 4.34Å; F373-R408 HydrophobicContact CE2-CB 3.95Å; F373-R408 HydrophobicContact CZ-CB 4.34Å; F373-L411 HydrophobicContact CD1-CD1 3.75Å; F373-L411 HydrophobicContact CE1-CD1 3.67Å; F373-L411 HydrophobicContact CE2-CD1 4.49Å; F373-L411 HydrophobicContact CG-CD1 4.2Å; F373-L411 HydrophobicContact CZ-CD1 4.07Å
374	K	95.8	Very high	94.2	Very high	50 Å²	50	45.8 Å²	45.8	22%	0.217	24%	0.237	C	C	.	.	H	α-helix	trans	-56.3	-26.3	170	71.8	-169.3	174.7	-160.3	0	112.3	A366 M370 D371 D372 Q376 Y377 L378	A366-K374 HydrophobicContact CB-CB 4Å; M370-K374 HydrophobicContact CB-CB 4.12Å; D371-K374 WeakPolarHBondContact O-CD 3.44Å; D371-K374 WeakPolarHBondContact O-CG 3.34Å; D372-K374 PolarHBondContact O-N 3.39Å; K374-Q376 PolarHBondContact O-N 3.31Å; K374-Y377 WeakPolarHBondContact O-CB 3.25Å; K374-Y377 PolarHBondContact O-N 3.31Å; K374-L378 HydrophobicContact CG-CD1 4.45Å; K374-L378 PolarHBondContact O-N 3.23Å
375	E	92.6	Very high	94	Very high	75 Å²	75	51 Å²	51	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-26.9	176.6	-67.3	-56.8	133.9	0	0	112.5	D372 F373 L378 A379 R385	D372-E375 WeakPolarHBondContact O-CB 3.48Å; D372-E375 PolarHBondContact O-N 3.02Å; F373-E375 PolarHBondContact O-N 2.86Å; F373-E375 VanDerWaalsContact O-N 3.15Å; E375-L378 PolarHBondContact O-N 3.11Å; E375-A379 WeakPolarHBondContact O-CB 3.43Å; E375-A379 PolarHBondContact O-N 2.77Å; E375-R385 IonicContact OE1-NH1 3.85Å; E375-R385 IonicContact OE2-CZ 4Å; E375-R385 IonicContact OE2-NH1 2.89Å; E375-R385 PolarHBondContact OE2-NH1 2.8Å; E375-R385 IonicContact OE2-NH2 3.36Å; E375-R385 PolarHBondContact OE2-NH2 3.44Å
376	Q	89.9	Confident	93.7	Very high	98 Å²	98	58.8 Å²	58.8	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-39.7	173.5	-61.4	-62.9	-27.1	0	0	111.8	W259 F373 K374 L380	W259-Q376 HydrophobicContact CB-CB 4.42Å; W259-Q376 HydrophobicContact CD2-CB 3.7Å; W259-Q376 HydrophobicContact CD2-CG 4.15Å; W259-Q376 HydrophobicContact CE3-CB 3.4Å; W259-Q376 HydrophobicContact CE3-CG 3.94Å; W259-Q376 HydrophobicContact CG-CB 4.16Å; W259-Q376 HydrophobicContact CH2-CG 4.22Å; W259-Q376 HydrophobicContact CZ2-CG 4.41Å; W259-Q376 HydrophobicContact CZ3-CB 3.88Å; W259-Q376 HydrophobicContact CZ3-CG 3.97Å; F373-Q376 WeakPolarHBondContact O-CB 3.31Å; F373-Q376 PolarHBondContact O-N 3.37Å; K374-Q376 PolarHBondContact O-N 3.31Å; Q376-L380 WeakPolarHBondContact O-CG 3.04Å
377	Y	91.8	Very high	93.5	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-70	-46.4	175.1	172.2	-116.2	0	0	0	111.3	W259 L261 S362 L363 A366 K374 A379 L380 R381 L384	W259-Y377 WeakPolarHBondContact O-CA 3.41Å; W259-Y377 WeakPolarHBondContact O-CD2 3.44Å; L261-Y377 HydrophobicContact CB-CD2 4.26Å; L261-Y377 HydrophobicContact CB-CE2 4.25Å; L261-Y377 HydrophobicContact CD1-CD1 3.83Å; L261-Y377 HydrophobicContact CD1-CD2 3.73Å; L261-Y377 HydrophobicContact CD1-CE1 4.09Å; L261-Y377 HydrophobicContact CD1-CE2 3.99Å; L261-Y377 HydrophobicContact CD1-CG 3.64Å; L261-Y377 HydrophobicContact CG-CD2 3.7Å; L261-Y377 HydrophobicContact CG-CE2 4.12Å; L261-Y377 HydrophobicContact CG-CG 3.98Å; S362-Y377 VanDerWaalsContact CB-OH 3.32Å; S362-Y377 WeakPolarHBondContact CB-OH 3.19Å; L363-Y377 HydrophobicContact CD2-CE1 4.23Å; L363-Y377 HydrophobicContact CG-CE1 4.45Å; A366-Y377 HydrophobicContact CB-CD1 4.31Å; K374-Y377 WeakPolarHBondContact O-CB 3.25Å; K374-Y377 PolarHBondContact O-N 3.31Å; Y377-A379 VanDerWaalsContact C-N 3.28Å; Y377-A379 PolarHBondContact O-N 3.43Å; Y377-L380 PolarHBondContact O-N 3.15Å; Y377-L380 VanDerWaalsContact O-N 3.16Å; Y377-R381 PolarHBondContact O-N 2.8Å; Y377-R381 VanDerWaalsContact O-N 3.13Å; Y377-L384 HydrophobicContact CE1-CD1 3.82Å; Y377-L384 WeakPolarHBondContact OH-CD1 3.4Å
378	L	91.6	Very high	93.3	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-67.6	-25.9	-179.9	-64.9	174.6	0	0	0	113.2	L363 K374 E375 R381 P382 L384 R385	L363-L378 HydrophobicContact CD2-CD2 3.88Å; K374-L378 HydrophobicContact CG-CD1 4.45Å; K374-L378 PolarHBondContact O-N 3.23Å; E375-L378 PolarHBondContact O-N 3.11Å; L378-R381 CarbonylContact O-C 3.59Å; L378-P382 VanDerWaalsContact O-CA 3.28Å; L378-P382 WeakPolarHBondContact O-CA 3.06Å; L378-P382 VanDerWaalsContact O-N 3.15Å; L378-L384 HydrophobicContact CD2-CB 4.28Å; L378-R385 HydrophobicContact CB-CG 4.23Å; L378-R385 HydrophobicContact CD1-CG 4.48Å; L378-R385 HydrophobicContact CD2-CG 4.29Å
379	A	88.9	Confident	93.1	Very high	64 Å²	64	66 Å²	66	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-70.2	-34.1	173	0	0	0	0	0	112.4	E375 Y377	E375-A379 WeakPolarHBondContact O-CB 3.43Å; E375-A379 PolarHBondContact O-N 2.77Å; Y377-A379 VanDerWaalsContact C-N 3.28Å; Y377-A379 PolarHBondContact O-N 3.43Å
380	L	87	Confident	93	Very high	109 Å²	109	68.4 Å²	68.4	57%	0.571	37%	0.367	S	S	*	.	H	α-helix	trans	-76.7	-25.7	175.5	-66.1	175.4	0	0	0	112.8	W259 Q376 Y377	W259-L380 HydrophobicContact CB-CD1 3.63Å; Q376-L380 WeakPolarHBondContact O-CG 3.04Å; Y377-L380 PolarHBondContact O-N 3.15Å; Y377-L380 VanDerWaalsContact O-N 3.16Å
381	R	86.9	Confident	93	Very high	59 Å²	59	74 Å²	74	22%	0.223	40%	0.397	C	S	.	.			trans	-131.8	69.8	178.3	-64	-165.8	67.5	-179.1	0.5	112.1	D356 Y377 L378 E383 L384	D356-R381 IonicContact OD2-CZ 3.31Å; D356-R381 IonicContact OD2-NH1 2.65Å; D356-R381 IonicContact OD2-NH2 2.78Å; D356-R381 PolarHBondContact OD2-NH2 2.81Å; Y377-R381 PolarHBondContact O-N 2.8Å; Y377-R381 VanDerWaalsContact O-N 3.13Å; L378-R381 CarbonylContact O-C 3.59Å; R381-E383 WeakPolarHBondContact CA-OE2 3.37Å; R381-E383 IonicContact CZ-OE1 2.71Å; R381-E383 IonicContact NE-OE1 3.36Å; R381-E383 PolarHBondContact NE-OE1 2.9Å; R381-E383 IonicContact NH2-OE1 3.43Å; R381-E383 PolarHBondContact NH2-OE1 3.15Å; R381-E383 VanDerWaalsContact NH2-OE1 3.08Å; R381-E383 PolarHBondContact O-N 3.28Å; R381-E383 VanDerWaalsContact O-N 3.11Å; R381-L384 HydrophobicContact CB-CD1 3.72Å; R381-L384 HydrophobicContact CB-CG 3.88Å; R381-L384 HydrophobicContact CG-CD1 4.38Å; R381-L384 WeakPolarHBondContact O-CB 3.39Å; R381-L384 PolarHBondContact O-N 3.36Å
382	P	89.9	Confident	93	Very high	79 Å²	79	72.7 Å²	72.7	51%	0.513	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-58	-27.4	-175.9	-24.4	35.1	0	0	0	113.9	L378 L384 R385	L378-P382 VanDerWaalsContact O-CA 3.28Å; L378-P382 WeakPolarHBondContact O-CA 3.06Å; L378-P382 VanDerWaalsContact O-N 3.15Å; P382-L384 PolarHBondContact O-N 3.02Å; P382-L384 VanDerWaalsContact O-N 3.16Å; P382-R385 PolarHBondContact O-N 3.09Å
383	E	92.6	Very high	93.2	Very high	113 Å²	113	69.4 Å²	69.4	53%	0.528	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-61.8	-20.2	177.9	77.5	-75.5	-178.7	0	0	113.3	R381	R381-E383 WeakPolarHBondContact CA-OE2 3.37Å; R381-E383 IonicContact CZ-OE1 2.71Å; R381-E383 IonicContact NE-OE1 3.36Å; R381-E383 PolarHBondContact NE-OE1 2.9Å; R381-E383 IonicContact NH2-OE1 3.43Å; R381-E383 PolarHBondContact NH2-OE1 3.15Å; R381-E383 VanDerWaalsContact NH2-OE1 3.08Å; R381-E383 PolarHBondContact O-N 3.28Å; R381-E383 VanDerWaalsContact O-N 3.11Å
384	L	94.2	Very high	93.3	Very high	3 Å²	3	71.5 Å²	71.5	2%	0.016	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-84.7	-11.7	-177.8	-62	-173.7	0	0	0	114.1	A359 L363 Y377 L378 R381 P382 N386 R387	A359-L384 HydrophobicContact CB-CD1 4.14Å; A359-L384 HydrophobicContact CB-CD2 3.92Å; L363-L384 HydrophobicContact CD1-CB 4.24Å; L363-L384 HydrophobicContact CD2-CB 4.13Å; L363-L384 HydrophobicContact CG-CB 4.49Å; Y377-L384 HydrophobicContact CE1-CD1 3.82Å; Y377-L384 WeakPolarHBondContact OH-CD1 3.4Å; L378-L384 HydrophobicContact CD2-CB 4.28Å; R381-L384 HydrophobicContact CB-CD1 3.72Å; R381-L384 HydrophobicContact CB-CG 3.88Å; R381-L384 HydrophobicContact CG-CD1 4.38Å; R381-L384 WeakPolarHBondContact O-CB 3.39Å; R381-L384 PolarHBondContact O-N 3.36Å; P382-L384 PolarHBondContact O-N 3.02Å; P382-L384 VanDerWaalsContact O-N 3.16Å; L384-N386 PolarHBondContact O-N 3.17Å; L384-R387 HydrophobicContact CD2-CB 4.43Å; L384-R387 PolarHBondContact O-N 3.12Å; L384-R387 VanDerWaalsContact O-N 3.1Å
385	R	93.7	Very high	93.4	Very high	120 Å²	120	69.3 Å²	69.3	45%	0.453	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-34.6	-177.4	-71.5	-176.4	175.3	-83.7	-2.9	113.3	E375 L378 P382	E375-R385 IonicContact OE1-NH1 3.85Å; E375-R385 IonicContact OE2-CZ 4Å; E375-R385 IonicContact OE2-NH1 2.89Å; E375-R385 PolarHBondContact OE2-NH1 2.8Å; E375-R385 IonicContact OE2-NH2 3.36Å; E375-R385 PolarHBondContact OE2-NH2 3.44Å; L378-R385 HydrophobicContact CB-CG 4.23Å; L378-R385 HydrophobicContact CD1-CG 4.48Å; L378-R385 HydrophobicContact CD2-CG 4.29Å; P382-R385 PolarHBondContact O-N 3.09Å
386	N	92.4	Very high	93.7	Very high	163 Å²	163	68.1 Å²	68.1	87%	0.872	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	5.8	-178.6	-61.4	-29.1	0	0	0	112.8	L384	L384-N386 PolarHBondContact O-N 3.17Å
387	R	94.1	Very high	94.1	Very high	83 Å²	83	65.8 Å²	65.8	31%	0.313	37%	0.374	S	S	.	.			trans	-83.6	130.2	-179	-174.1	172.6	179.4	174.9	-10.2	110	D356 L363 L384 Y389	D356-R387 PolarHBondContact O-NH2 3.34Å; D356-R387 IonicContact OD2-NH1 3.99Å; L363-R387 HydrophobicContact CD1-CB 3.95Å; L363-R387 HydrophobicContact CD1-CG 4.16Å; L384-R387 HydrophobicContact CD2-CB 4.43Å; L384-R387 PolarHBondContact O-N 3.12Å; L384-R387 VanDerWaalsContact O-N 3.1Å; R387-Y389 WeakPolarHBondContact O-CD1 3.32Å
388	G	93.6	Very high	94.5	Very high	61 Å²	61	65.8 Å²	65.8	63%	0.629	37%	0.374	S	S	*	.			trans	-65.1	140.6	174	0	0	0	0	0	112
389	Y	95.3	Very high	94.8	Very high	64 Å²	64	67.1 Å²	67.1	25%	0.251	38%	0.378	S	S	.	.			trans	-125.8	13.6	177.9	48.2	-98.7	0	0	0	113	H360 L363 R364 H367 R387 I392	H360-Y389 PolarHBondContact CE1-O 2.91Å; L363-Y389 HydrophobicContact CB-CD1 3.98Å; L363-Y389 HydrophobicContact CB-CG 4.03Å; L363-Y389 HydrophobicContact CD1-CD1 4.36Å; R364-Y389 WeakPolarHBondContact CD-O 3.35Å; R364-Y389 WeakPolarHBondContact CG-O 3.43Å; R364-Y389 PolarHBondContact NH1-O 2.94Å; H367-Y389 HydrophobicContact CB-CE2 4.38Å; H367-Y389 AromaticContact CD2-CE1 3.65Å; H367-Y389 AromaticContact CD2-CZ 3.83Å; H367-Y389 AromaticContact CE1-CE1 3.72Å; H367-Y389 AromaticContact CE1-CZ 3.73Å; H367-Y389 PolarHBondContact CE1-OH 2.93Å; H367-Y389 AromaticContact CG-CZ 3.76Å; H367-Y389 AromaticContact ND1-CZ 3.69Å; H367-Y389 PolarHBondContact ND1-OH 3.22Å; H367-Y389 AromaticContact NE2-CE1 3.43Å; H367-Y389 WeakPolarHBondContact NE2-CE1 3.18Å; H367-Y389 AromaticContact NE2-CZ 3.83Å; R387-Y389 WeakPolarHBondContact O-CD1 3.32Å; Y389-I392 HydrophobicContact CD2-CG2 4.13Å; Y389-I392 HydrophobicContact CE2-CD1 4.02Å; Y389-I392 HydrophobicContact CE2-CG1 4.33Å; Y389-I392 HydrophobicContact CE2-CG2 4.48Å
390	G	96.4	Very high	95.3	Very high	51 Å²	51	71.6 Å²	71.6	53%	0.526	39%	0.386	S	S	.	.			trans	70.8	-174.7	-178.7	0	0	0	0	0	113.7
391	D	97.9	Very high	95.8	Very high	117 Å²	117	74.2 Å²	74.2	63%	0.626	39%	0.388	S	S	*	.			trans	-76.2	133.5	177.9	-175.2	19.5	0	0	0	111.4	R364 S393	R364-D391 PolarHBondContact NH1-O 2.82Å; R364-D391 PolarHBondContact NH2-O 2.78Å; D391-S393 VanDerWaalsContact CG-OG 3.28Å; D391-S393 WeakPolarHBondContact OD1-CB 3.29Å; D391-S393 PolarHBondContact OD1-N 2.76Å; D391-S393 PolarHBondContact OD1-OG 3.03Å; D391-S393 VanDerWaalsContact OD1-OG 3.1Å; D391-S393 PolarHBondContact OD2-OG 3.24Å
392	I	98.4	Very high	96.3	Very high	22 Å²	22	73.9 Å²	73.9	11%	0.113	39%	0.39	C	S	.	.			trans	-121.9	8.5	178	60.7	167.7	0	0	0	112.3	R364 H367 V368 Y389 E394 R395 V396	R364-I392 HydrophobicContact CB-CG2 4.33Å; R364-I392 HydrophobicContact CG-CG2 4.22Å; H367-I392 HydrophobicContact CB-CD1 3.68Å; V368-I392 HydrophobicContact CG2-CB 3.9Å; V368-I392 HydrophobicContact CG2-CD1 3.9Å; V368-I392 HydrophobicContact CG2-CG1 4.43Å; V368-I392 HydrophobicContact CG2-CG2 4.24Å; Y389-I392 HydrophobicContact CD2-CG2 4.13Å; Y389-I392 HydrophobicContact CE2-CD1 4.02Å; Y389-I392 HydrophobicContact CE2-CG1 4.33Å; Y389-I392 HydrophobicContact CE2-CG2 4.48Å; I392-E394 VanDerWaalsContact C-N 3.29Å; I392-E394 PolarHBondContact O-N 2.97Å; I392-R395 PolarHBondContact O-N 3.22Å; I392-V396 HydrophobicContact CD1-CG2 4.14Å; I392-V396 HydrophobicContact CG1-CG2 4.25Å; I392-V396 WeakPolarHBondContact O-CG2 3.4Å; I392-V396 PolarHBondContact O-N 3.08Å
393	S	98.5	Very high	96.7	Very high	69 Å²	69	78.4 Å²	78.4	48%	0.483	41%	0.405	S	S	.	.	H	α-helix	trans	-52.8	-44.2	-176.2	63.8	0	0	0	0	112.8	D391 V396 A397	D391-S393 VanDerWaalsContact CG-OG 3.28Å; D391-S393 WeakPolarHBondContact OD1-CB 3.29Å; D391-S393 PolarHBondContact OD1-N 2.76Å; D391-S393 PolarHBondContact OD1-OG 3.03Å; D391-S393 VanDerWaalsContact OD1-OG 3.1Å; D391-S393 PolarHBondContact OD2-OG 3.24Å; S393-V396 PolarHBondContact O-N 3.42Å; S393-A397 WeakPolarHBondContact O-CB 3.48Å; S393-A397 PolarHBondContact O-N 3.3Å
394	E	98.1	Very high	97	Very high	93 Å²	93	74 Å²	74	44%	0.435	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-44.9	176.6	-168.5	-81.7	135.7	0	0	111.9	I392 V396 A397 L398	I392-E394 VanDerWaalsContact C-N 3.29Å; I392-E394 PolarHBondContact O-N 2.97Å; E394-V396 PolarHBondContact O-N 2.89Å; E394-A397 PolarHBondContact O-N 3.18Å; E394-L398 WeakPolarHBondContact O-CB 3.2Å; E394-L398 PolarHBondContact O-N 3.1Å
395	R	98.6	Very high	97.3	Very high	3 Å²	3	81.3 Å²	81.3	1%	0.011	41%	0.413	C	S	.	.	H	α-helix	trans	-66.5	-39.4	179.6	-53.3	-48.4	-66.5	173.5	-8	112	G304 D307 E319 V368 I392 L398 R399	G304-R395 PolarHBondContact O-NH1 3.36Å; G304-R395 PolarHBondContact O-NH2 3.15Å; D307-R395 HydrophobicContact CB-CG 4.39Å; E319-R395 IonicContact OE1-NE 3.91Å; E319-R395 IonicContact OE1-NH2 2.98Å; V368-R395 HydrophobicContact CB-CB 4.45Å; V368-R395 HydrophobicContact CG1-CB 3.88Å; V368-R395 HydrophobicContact CG2-CB 3.71Å; I392-R395 PolarHBondContact O-N 3.22Å; R395-L398 PolarHBondContact O-N 3.35Å; R395-R399 PolarHBondContact O-N 3.08Å
396	V	98.6	Very high	97.5	Very high	51 Å²	51	78 Å²	78	31%	0.309	41%	0.409	S	S	.	.	H	α-helix	trans	-66.2	-42.5	175	174.6	0	0	0	0	110.9	V368 I392 S393 E394 R399 K400	V368-V396 HydrophobicContact CG2-CG2 4.31Å; I392-V396 HydrophobicContact CD1-CG2 4.14Å; I392-V396 HydrophobicContact CG1-CG2 4.25Å; I392-V396 WeakPolarHBondContact O-CG2 3.4Å; I392-V396 PolarHBondContact O-N 3.08Å; S393-V396 PolarHBondContact O-N 3.42Å; E394-V396 PolarHBondContact O-N 2.89Å; V396-R399 PolarHBondContact O-N 3.26Å; V396-K400 WeakPolarHBondContact O-CG 3.48Å; V396-K400 PolarHBondContact O-N 3.38Å; V396-K400 VanDerWaalsContact O-N 3.14Å
397	A	98.6	Very high	97.8	Very high	49 Å²	49	70.3 Å²	70.3	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-40.6	176.4	0	0	0	0	0	111.9	S393 E394 K400 R401	S393-A397 WeakPolarHBondContact O-CB 3.48Å; S393-A397 PolarHBondContact O-N 3.3Å; E394-A397 PolarHBondContact O-N 3.18Å; A397-K400 PolarHBondContact O-N 2.8Å; A397-R401 WeakPolarHBondContact O-CB 3.29Å; A397-R401 PolarHBondContact O-N 3Å
398	L	98.6	Very high	97.9	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-58.6	-49.5	173.3	174.1	69.6	0	0	0	111.4	L303 E394 R395 K400 R401 L402	L303-L398 WeakPolarHBondContact O-CD2 3.48Å; E394-L398 WeakPolarHBondContact O-CB 3.2Å; E394-L398 PolarHBondContact O-N 3.1Å; R395-L398 PolarHBondContact O-N 3.35Å; L398-K400 VanDerWaalsContact C-N 3.27Å; L398-K400 PolarHBondContact O-N 3.13Å; L398-R401 PolarHBondContact O-N 3.35Å; L398-L402 HydrophobicContact CD1-CD1 3.69Å; L398-L402 HydrophobicContact CD1-CG 3.98Å; L398-L402 HydrophobicContact CG-CD1 4.02Å; L398-L402 WeakPolarHBondContact O-CB 3.43Å; L398-L402 WeakPolarHBondContact O-CG 3.05Å; L398-L402 PolarHBondContact O-N 3.34Å
399	R	98.6	Very high	98.1	Very high	37 Å²	37	72.7 Å²	72.7	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-56.6	-40.9	177.7	-175.8	177	177.2	-161.1	-5.1	112	V368 W369 D371 R395 V396 Q403 C404 R405	V368-R399 VanDerWaalsContact O-CD 3.28Å; V368-R399 WeakPolarHBondContact O-CD 3.36Å; V368-R399 PolarHBondContact O-NH1 3.31Å; W369-R399 HydrophobicContact CE3-CG 4.23Å; W369-R399 HydrophobicContact CH2-CB 4.04Å; W369-R399 HydrophobicContact CH2-CG 4.14Å; W369-R399 HydrophobicContact CZ3-CB 4.12Å; W369-R399 HydrophobicContact CZ3-CG 3.7Å; D371-R399 IonicContact OD1-CZ 3.69Å; D371-R399 IonicContact OD1-NH1 3.37Å; D371-R399 PolarHBondContact OD1-NH1 3.46Å; D371-R399 IonicContact OD1-NH2 2.9Å; D371-R399 PolarHBondContact OD1-NH2 2.04Å; D371-R399 IonicContact OD2-NH2 2.62Å; D371-R399 PolarHBondContact OD2-NH2 3.16Å; R395-R399 PolarHBondContact O-N 3.08Å; V396-R399 PolarHBondContact O-N 3.26Å; R399-Q403 PolarHBondContact O-N 2.67Å; R399-C404 HydrophobicContact CG-CB 3.91Å; R399-C404 PolarHBondContact O-N 2.63Å; R399-C404 PolarHBondContact O-SG 3.13Å; R399-C404 VanDerWaalsContact O-SG 3.39Å; R399-R405 PolarHBondContact NH2-O 3.36Å
400	K	98.5	Very high	98.3	Very high	157 Å²	157	69.6 Å²	69.6	68%	0.683	35%	0.346	S	S	*	.	H	α-helix	trans	-67	-47.5	175.4	-70.2	176.6	-178.8	-179.6	0	112	V396 A397 L398 L402 Q403	V396-K400 WeakPolarHBondContact O-CG 3.48Å; V396-K400 PolarHBondContact O-N 3.38Å; V396-K400 VanDerWaalsContact O-N 3.14Å; A397-K400 PolarHBondContact O-N 2.8Å; L398-K400 VanDerWaalsContact C-N 3.27Å; L398-K400 PolarHBondContact O-N 3.13Å; K400-L402 VanDerWaalsContact C-N 3.31Å; K400-L402 PolarHBondContact O-N 2.92Å; K400-Q403 PolarHBondContact O-N 2.96Å
401	R	98.4	Very high	98.3	Very high	164 Å²	164	67.2 Å²	67.2	62%	0.619	32%	0.321	S	S	*	.	H	α-helix	trans	-60.5	-39.8	-179.2	179.8	173.9	62.3	-132	0.7	112.4	A397 L398 Q403	A397-R401 WeakPolarHBondContact O-CB 3.29Å; A397-R401 PolarHBondContact O-N 3Å; L398-R401 PolarHBondContact O-N 3.35Å; R401-Q403 PolarHBondContact O-N 2.63Å
402	L	98.3	Very high	98.1	Very high	53 Å²	53	65 Å²	65	28%	0.277	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.5	177.5	-66.7	-179.9	0	0	0	113.5	L303 C327 L398 K400 C404	L303-L402 HydrophobicContact CD2-CD1 3.96Å; C327-L402 HydrophobicContact CB-CB 4.27Å; C327-L402 HydrophobicContact CB-CD1 4.22Å; L398-L402 HydrophobicContact CD1-CD1 3.69Å; L398-L402 HydrophobicContact CD1-CG 3.98Å; L398-L402 HydrophobicContact CG-CD1 4.02Å; L398-L402 WeakPolarHBondContact O-CB 3.43Å; L398-L402 WeakPolarHBondContact O-CG 3.05Å; L398-L402 PolarHBondContact O-N 3.34Å; K400-L402 VanDerWaalsContact C-N 3.31Å; K400-L402 PolarHBondContact O-N 2.92Å; L402-C404 WeakPolarHBondContact CB-SG 3.38Å; L402-C404 PolarHBondContact O-N 3.45Å
403	Q	98.4	Very high	98	Very high	174 Å²	174	66.1 Å²	66.1	81%	0.813	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	42.2	-179.9	-58.4	-179.2	-38.7	0	0	112.8	R399 K400 R401	R399-Q403 PolarHBondContact O-N 2.67Å; K400-Q403 PolarHBondContact O-N 2.96Å; R401-Q403 PolarHBondContact O-N 2.63Å
404	C	98.6	Very high	97.8	Very high	21 Å²	21	63.3 Å²	63.3	14%	0.142	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-67.8	147.4	-174.4	-47.1	0	0	0	0	111.7	M326 C327 W369 R399 L402	M326-C404 HydrophobicContact CB-CB 4.21Å; M326-C404 CarbonylContact O-C 3.56Å; M326-C404 WeakPolarHBondContact O-CA 3.28Å; M326-C404 WeakPolarHBondContact O-CB 3.38Å; C327-C404 HydrophobicContact CB-CB 4.06Å; C327-C404 WeakPolarHBondContact CB-SG 3.09Å; C327-C404 WeakPolarHBondContact SG-CB 3.38Å; C327-C404 CovalentContact SG-SG 2.04Å; C327-C404 PolarHBondContact SG-SG 2.7Å; W369-C404 HydrophobicContact CZ3-CB 4.24Å; R399-C404 HydrophobicContact CG-CB 3.91Å; R399-C404 PolarHBondContact O-N 2.63Å; R399-C404 PolarHBondContact O-SG 3.13Å; R399-C404 VanDerWaalsContact O-SG 3.39Å; L402-C404 WeakPolarHBondContact CB-SG 3.38Å; L402-C404 PolarHBondContact O-N 3.45Å
405	R	98.7	Very high	97.7	Very high	155 Å²	155	58.9 Å²	58.9	59%	0.585	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-63.9	168.5	175.7	-59.4	-66.3	-174.1	174.9	0.1	111.9	M326 R399 W409	M326-R405 WeakPolarHBondContact CE-O 3.38Å; M326-R405 PolarHBondContact O-N 3.16Å; R399-R405 PolarHBondContact NH2-O 3.36Å; R405-W409 HydrophobicContact CB-CB 4.15Å; R405-W409 HydrophobicContact CB-CD2 3.67Å; R405-W409 HydrophobicContact CB-CE3 3.46Å; R405-W409 VanDerWaalsContact CB-CE3 3.46Å; R405-W409 HydrophobicContact CB-CG 3.97Å; R405-W409 HydrophobicContact CB-CZ3 4.15Å; R405-W409 HydrophobicContact CG-CD2 3.78Å; R405-W409 HydrophobicContact CG-CE3 3.82Å; R405-W409 HydrophobicContact CG-CG 4.24Å; R405-W409 HydrophobicContact CG-CZ2 4.47Å; R405-W409 HydrophobicContact CG-CZ3 4.2Å
406	S	98.6	Very high	97.4	Very high	52 Å²	52	61.6 Å²	61.6	36%	0.364	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-76.2	159.2	174.1	63.3	0	0	0	0	111.9	D371 R408 W409 Y410	D371-S406 WeakPolarHBondContact OD2-CA 3.49Å; D371-S406 WeakPolarHBondContact OD2-CB 3.41Å; S406-R408 PolarHBondContact O-N 2.85Å; S406-W409 WeakPolarHBondContact O-CB 3.49Å; S406-W409 PolarHBondContact O-N 2.84Å; S406-W409 PolarHBondContact OG-N 3.45Å; S406-Y410 PolarHBondContact O-N 3.08Å; S406-Y410 VanDerWaalsContact O-N 3.17Å
407	F	98.3	Very high	96.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-30	173.2	-161.6	-108.8	0	0	0	111.8	F257 W259 F322 M326 W369 M370 D371 F373 W409 Y410 L411	F257-F407 HydrophobicContact CE2-CZ 4.37Å; F257-F407 AromaticContact CZ-CZ 3.78Å; F257-F407 HydrophobicContact CZ-CZ 3.78Å; W259-F407 HydrophobicContact CH2-CE1 4.46Å; W259-F407 HydrophobicContact CZ3-CE1 4.29Å; F322-F407 HydrophobicContact CD1-CE2 4.16Å; F322-F407 AromaticContact CD2-CE2 3.87Å; F322-F407 HydrophobicContact CD2-CE2 3.87Å; F322-F407 HydrophobicContact CE1-CE2 4.09Å; F322-F407 HydrophobicContact CE1-CZ 4.46Å; F322-F407 AromaticContact CE2-CE2 3.76Å; F322-F407 HydrophobicContact CE2-CE2 3.76Å; F322-F407 HydrophobicContact CE2-CZ 4.17Å; F322-F407 HydrophobicContact CG-CE2 4.07Å; F322-F407 AromaticContact CZ-CE2 3.89Å; F322-F407 HydrophobicContact CZ-CE2 3.89Å; F322-F407 HydrophobicContact CZ-CZ 4.05Å; M326-F407 HydrophobicContact CE-CB 4.4Å; M326-F407 HydrophobicContact SD-CD2 4.04Å; W369-F407 WeakPolarHBondContact O-CB 3.44Å; W369-F407 VanDerWaalsContact O-CD2 3.28Å; W369-F407 WeakPolarHBondContact O-CD2 3.41Å; M370-F407 HydrophobicContact CB-CD1 4.38Å; M370-F407 HydrophobicContact CB-CE1 4.47Å; M370-F407 HydrophobicContact CB-CG 4.39Å; M370-F407 HydrophobicContact CE-CE1 4.31Å; M370-F407 HydrophobicContact CE-CZ 4.36Å; M370-F407 HydrophobicContact CG-CD2 4.29Å; M370-F407 HydrophobicContact CG-CE1 4.26Å; M370-F407 HydrophobicContact CG-CE2 3.98Å; M370-F407 HydrophobicContact CG-CZ 3.94Å; D371-F407 HydrophobicContact CB-CB 4.41Å; D371-F407 PolarHBondContact OD2-N 2.73Å; F373-F407 HydrophobicContact CB-CD1 3.68Å; F373-F407 HydrophobicContact CB-CE1 3.98Å; F373-F407 HydrophobicContact CD2-CB 4.31Å; F373-F407 AromaticContact CD2-CD1 3.79Å; F373-F407 HydrophobicContact CD2-CD1 3.79Å; F373-F407 AromaticContact CG-CD1 3.79Å; F373-F407 HydrophobicContact CG-CD1 3.79Å; F373-F407 HydrophobicContact CG-CE1 4.34Å; F407-W409 VanDerWaalsContact C-N 3.34Å; F407-W409 PolarHBondContact O-N 3.05Å; F407-Y410 HydrophobicContact CD2-CD1 4.19Å; F407-Y410 AromaticContact CE2-CD1 3.83Å; F407-Y410 HydrophobicContact CE2-CD1 3.83Å; F407-Y410 HydrophobicContact CE2-CE1 4.23Å; F407-Y410 HydrophobicContact CZ-CD1 4.21Å; F407-Y410 HydrophobicContact CZ-CE1 4.45Å; F407-Y410 WeakPolarHBondContact O-CB 3.14Å; F407-Y410 PolarHBondContact O-N 2.88Å; F407-Y410 VanDerWaalsContact O-N 3.16Å; F407-L411 HydrophobicContact CD1-CD1 3.92Å; F407-L411 HydrophobicContact CD1-CG 4.05Å; F407-L411 HydrophobicContact CE1-CD1 3.89Å; F407-L411 HydrophobicContact CE1-CD2 3.99Å; F407-L411 HydrophobicContact CE1-CG 3.92Å; F407-L411 HydrophobicContact CZ-CD2 4.36Å; F407-L411 WeakPolarHBondContact O-CG 3.32Å; F407-L411 PolarHBondContact O-N 3.44Å
408	R	97.3	Very high	96.1	Very high	109 Å²	109	60.5 Å²	60.5	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-56.8	-48.8	170.8	-178.1	68.2	-154.5	-177.3	11.7	111.1	F373 S406 Y410 L411 D412 Q419	F373-R408 HydrophobicContact CE2-CB 3.95Å; F373-R408 HydrophobicContact CZ-CB 4.34Å; S406-R408 PolarHBondContact O-N 2.85Å; R408-Y410 VanDerWaalsContact C-N 3.29Å; R408-Y410 PolarHBondContact O-N 2.77Å; R408-L411 PolarHBondContact O-N 2.9Å; R408-D412 IonicContact CZ-OD1 3.93Å; R408-D412 IonicContact CZ-OD2 3.9Å; R408-D412 VanDerWaalsContact NE-CG 3.34Å; R408-D412 IonicContact NE-OD1 2.68Å; R408-D412 PolarHBondContact NE-OD1 2.88Å; R408-D412 VanDerWaalsContact NE-OD1 3.09Å; R408-D412 IonicContact NE-OD2 3.14Å; R408-D412 PolarHBondContact NE-OD2 3.31Å; R408-D412 IonicContact NH2-OD1 3.56Å; R408-D412 PolarHBondContact NH2-OD1 3.43Å; R408-D412 IonicContact NH2-OD2 3.96Å; R408-D412 PolarHBondContact NH2-OD2 2.98Å; R408-D412 VanDerWaalsContact O-CG 3.24Å; R408-D412 PolarHBondContact O-N 3.38Å; R408-Q419 VanDerWaalsContact CZ-NE2 3.26Å
409	W	98.2	Very high	94.7	Very high	85 Å²	85	62.5 Å²	62.5	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-40.7	175.8	172.4	88.7	0	0	0	111.8	W325 R405 S406 F407 D412 A413 V414	W325-W409 WeakPolarHBondContact O-CZ3 3.15Å; R405-W409 HydrophobicContact CB-CB 4.15Å; R405-W409 HydrophobicContact CB-CD2 3.67Å; R405-W409 HydrophobicContact CB-CE3 3.46Å; R405-W409 VanDerWaalsContact CB-CE3 3.46Å; R405-W409 HydrophobicContact CB-CG 3.97Å; R405-W409 HydrophobicContact CB-CZ3 4.15Å; R405-W409 HydrophobicContact CG-CD2 3.78Å; R405-W409 HydrophobicContact CG-CE3 3.82Å; R405-W409 HydrophobicContact CG-CG 4.24Å; R405-W409 HydrophobicContact CG-CZ2 4.47Å; R405-W409 HydrophobicContact CG-CZ3 4.2Å; S406-W409 WeakPolarHBondContact O-CB 3.49Å; S406-W409 PolarHBondContact O-N 2.84Å; S406-W409 PolarHBondContact OG-N 3.45Å; F407-W409 VanDerWaalsContact C-N 3.34Å; F407-W409 PolarHBondContact O-N 3.05Å; W409-D412 PolarHBondContact O-N 2.8Å; W409-A413 HydrophobicContact CD2-CB 4.3Å; W409-A413 HydrophobicContact CZ2-CB 4.12Å; W409-A413 VanDerWaalsContact O-CB 3.27Å; W409-A413 WeakPolarHBondContact O-CB 3.36Å; W409-A413 PolarHBondContact O-N 3.42Å; W409-V414 HydrophobicContact CH2-CG2 4.11Å; W409-V414 HydrophobicContact CZ3-CG2 4.04Å
410	Y	98.4	Very high	93	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-48.3	176.2	171.1	-92.1	0	0	0	111.4	F257 P286 F322 W325 M326 S406 F407 R408 D412 V414 Y415	F257-Y410 AromaticContact CE1-CE1 4Å; F257-Y410 HydrophobicContact CE1-CE1 4Å; F257-Y410 HydrophobicContact CZ-CE1 4.47Å; P286-Y410 VanDerWaalsContact C-OH 3.31Å; P286-Y410 PolarHBondContact O-OH 3.27Å; F322-Y410 AromaticContact CD1-CE1 3.97Å; F322-Y410 HydrophobicContact CD1-CE1 3.97Å; F322-Y410 HydrophobicContact CD1-CE2 4.07Å; F322-Y410 AromaticContact CD1-CZ 3.67Å; F322-Y410 AromaticContact CE1-CE1 3.84Å; F322-Y410 HydrophobicContact CE1-CE1 3.84Å; F322-Y410 AromaticContact CE1-CZ 3.79Å; W325-Y410 HydrophobicContact CB-CD2 3.74Å; W325-Y410 HydrophobicContact CB-CE2 3.89Å; W325-Y410 AromaticContact CD1-CE2 3.73Å; W325-Y410 HydrophobicContact CG-CD2 4.24Å; W325-Y410 AromaticContact CG-CE2 3.96Å; W325-Y410 HydrophobicContact CG-CE2 3.96Å; M326-Y410 HydrophobicContact CG-CD2 4.36Å; M326-Y410 HydrophobicContact CG-CG 4.47Å; S406-Y410 PolarHBondContact O-N 3.08Å; S406-Y410 VanDerWaalsContact O-N 3.17Å; F407-Y410 HydrophobicContact CD2-CD1 4.19Å; F407-Y410 AromaticContact CE2-CD1 3.83Å; F407-Y410 HydrophobicContact CE2-CD1 3.83Å; F407-Y410 HydrophobicContact CE2-CE1 4.23Å; F407-Y410 HydrophobicContact CZ-CD1 4.21Å; F407-Y410 HydrophobicContact CZ-CE1 4.45Å; F407-Y410 WeakPolarHBondContact O-CB 3.14Å; F407-Y410 PolarHBondContact O-N 2.88Å; F407-Y410 VanDerWaalsContact O-N 3.16Å; R408-Y410 VanDerWaalsContact C-N 3.29Å; R408-Y410 PolarHBondContact O-N 2.77Å; Y410-D412 VanDerWaalsContact C-N 3.32Å; Y410-D412 PolarHBondContact O-N 3.18Å; Y410-V414 HydrophobicContact CD2-CB 3.87Å; Y410-V414 HydrophobicContact CD2-CG1 4.14Å; Y410-V414 HydrophobicContact CD2-CG2 3.97Å; Y410-V414 HydrophobicContact CE2-CB 3.98Å; Y410-V414 HydrophobicContact CE2-CG1 3.75Å; Y410-V414 HydrophobicContact CE2-CG2 4.43Å; Y410-V414 HydrophobicContact CG-CB 4.44Å; Y410-V414 WeakPolarHBondContact O-CA 3.44Å; Y410-V414 WeakPolarHBondContact O-CB 3.28Å; Y410-V414 PolarHBondContact O-N 3.36Å; Y410-Y415 PolarHBondContact O-N 3.45Å; Y410-Y415 VanDerWaalsContact O-N 3.11Å
411	L	95.9	Very high	91	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-36.7	177.7	-63.8	174.7	0	0	0	112.3	W259 F373 F407 R408 Y415 P416 M418 Q419	W259-L411 HydrophobicContact CH2-CD1 4.01Å; F373-L411 HydrophobicContact CD1-CD1 3.75Å; F373-L411 HydrophobicContact CE1-CD1 3.67Å; F373-L411 HydrophobicContact CE2-CD1 4.49Å; F373-L411 HydrophobicContact CG-CD1 4.2Å; F373-L411 HydrophobicContact CZ-CD1 4.07Å; F407-L411 HydrophobicContact CD1-CD1 3.92Å; F407-L411 HydrophobicContact CD1-CG 4.05Å; F407-L411 HydrophobicContact CE1-CD1 3.89Å; F407-L411 HydrophobicContact CE1-CD2 3.99Å; F407-L411 HydrophobicContact CE1-CG 3.92Å; F407-L411 HydrophobicContact CZ-CD2 4.36Å; F407-L411 WeakPolarHBondContact O-CG 3.32Å; F407-L411 PolarHBondContact O-N 3.44Å; R408-L411 PolarHBondContact O-N 2.9Å; L411-Y415 CarbonylContact O-C 3.55Å; L411-P416 WeakPolarHBondContact O-CA 3.22Å; L411-M418 HydrophobicContact CD2-CB 4.39Å; L411-M418 HydrophobicContact CD2-SD 3.66Å; L411-Q419 HydrophobicContact CB-CG 4.31Å
412	D	94.6	Very high	88.9	Confident	72 Å²	72	56 Å²	56	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-77.6	-38.9	-177.1	-65.5	-17.2	0	0	0	112.8	R408 W409 Y410 Q419	R408-D412 IonicContact CZ-OD1 3.93Å; R408-D412 IonicContact CZ-OD2 3.9Å; R408-D412 VanDerWaalsContact NE-CG 3.34Å; R408-D412 IonicContact NE-OD1 2.68Å; R408-D412 PolarHBondContact NE-OD1 2.88Å; R408-D412 VanDerWaalsContact NE-OD1 3.09Å; R408-D412 IonicContact NE-OD2 3.14Å; R408-D412 PolarHBondContact NE-OD2 3.31Å; R408-D412 IonicContact NH2-OD1 3.56Å; R408-D412 PolarHBondContact NH2-OD1 3.43Å; R408-D412 IonicContact NH2-OD2 3.96Å; R408-D412 PolarHBondContact NH2-OD2 2.98Å; R408-D412 VanDerWaalsContact O-CG 3.24Å; R408-D412 PolarHBondContact O-N 3.38Å; W409-D412 PolarHBondContact O-N 2.8Å; Y410-D412 VanDerWaalsContact C-N 3.32Å; Y410-D412 PolarHBondContact O-N 3.18Å; D412-Q419 PolarHBondContact OD1-NE2 2.85Å; D412-Q419 PolarHBondContact OD1-OE1 3.36Å
413	A	95.4	Very high	86.4	Confident	44 Å²	44	60 Å²	60	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-103.3	-21.3	-170.8	0	0	0	0	0	114.5	W409	W409-A413 HydrophobicContact CD2-CB 4.3Å; W409-A413 HydrophobicContact CZ2-CB 4.12Å; W409-A413 VanDerWaalsContact O-CB 3.27Å; W409-A413 WeakPolarHBondContact O-CB 3.36Å; W409-A413 PolarHBondContact O-N 3.42Å
414	V	95.9	Very high	83.9	Confident	10 Å²	10	54.4 Å²	54.4	6%	0.061	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-40	-176.7	-174.9	0	0	0	0	111.4	P286 W325 W409 Y410	P286-V414 HydrophobicContact CB-CG1 4.43Å; W325-V414 HydrophobicContact CB-CG2 4.19Å; W325-V414 HydrophobicContact CD2-CB 4.41Å; W325-V414 HydrophobicContact CD2-CG1 3.62Å; W325-V414 HydrophobicContact CD2-CG2 3.83Å; W325-V414 HydrophobicContact CE3-CG1 4.31Å; W325-V414 HydrophobicContact CE3-CG2 3.86Å; W325-V414 HydrophobicContact CG-CB 4.49Å; W325-V414 HydrophobicContact CG-CG1 3.76Å; W325-V414 HydrophobicContact CG-CG2 4.01Å; W325-V414 HydrophobicContact CZ2-CG1 4.2Å; W409-V414 HydrophobicContact CH2-CG2 4.11Å; W409-V414 HydrophobicContact CZ3-CG2 4.04Å; Y410-V414 HydrophobicContact CD2-CB 3.87Å; Y410-V414 HydrophobicContact CD2-CG1 4.14Å; Y410-V414 HydrophobicContact CD2-CG2 3.97Å; Y410-V414 HydrophobicContact CE2-CB 3.98Å; Y410-V414 HydrophobicContact CE2-CG1 3.75Å; Y410-V414 HydrophobicContact CE2-CG2 4.43Å; Y410-V414 HydrophobicContact CG-CB 4.44Å; Y410-V414 WeakPolarHBondContact O-CA 3.44Å; Y410-V414 WeakPolarHBondContact O-CB 3.28Å; Y410-V414 PolarHBondContact O-N 3.36Å
415	Y	95.6	Very high	81.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.336	C	S	.	.			trans	-138.1	57.4	-174.1	-162.6	-161.5	0	0	0	114.8	F257 K264 D266 P286 Y410 L411 E417 M418	F257-Y415 HydrophobicContact CD1-CD1 4.12Å; F257-Y415 AromaticContact CD1-CE1 3.81Å; F257-Y415 HydrophobicContact CD1-CE1 3.81Å; F257-Y415 AromaticContact CE1-CD1 3.73Å; F257-Y415 HydrophobicContact CE1-CD1 3.73Å; F257-Y415 AromaticContact CE1-CE1 3.84Å; F257-Y415 HydrophobicContact CE1-CE1 3.84Å; K264-Y415 VanDerWaalsContact CE-OH 3.25Å; K264-Y415 WeakPolarHBondContact CE-OH 3.39Å; K264-Y415 PolarHBondContact NZ-OH 3.33Å; K264-Y415 VanDerWaalsContact NZ-OH 3.13Å; D266-Y415 WeakPolarHBondContact OD2-CE2 3.23Å; D266-Y415 VanDerWaalsContact OD2-CZ 3.31Å; D266-Y415 PolarHBondContact OD2-OH 2.9Å; P286-Y415 HydrophobicContact CB-CD1 3.9Å; P286-Y415 HydrophobicContact CB-CD2 4.09Å; P286-Y415 HydrophobicContact CB-CE1 4.46Å; P286-Y415 HydrophobicContact CB-CG 3.71Å; P286-Y415 HydrophobicContact CG-CD1 4.33Å; P286-Y415 HydrophobicContact CG-CD2 3.59Å; P286-Y415 HydrophobicContact CG-CE2 4.12Å; P286-Y415 HydrophobicContact CG-CG 3.71Å; Y410-Y415 PolarHBondContact O-N 3.45Å; Y410-Y415 VanDerWaalsContact O-N 3.11Å; L411-Y415 CarbonylContact O-C 3.55Å; Y415-E417 HydrophobicContact CE2-CB 4.45Å; Y415-E417 PolarHBondContact O-N 3.13Å; Y415-M418 HydrophobicContact CD1-CB 3.7Å; Y415-M418 HydrophobicContact CD1-CG 4.23Å; Y415-M418 HydrophobicContact CD1-SD 3.92Å; Y415-M418 HydrophobicContact CD2-CB 4.28Å; Y415-M418 HydrophobicContact CE1-CB 3.71Å; Y415-M418 HydrophobicContact CE1-CG 3.96Å; Y415-M418 HydrophobicContact CE1-SD 3.85Å; Y415-M418 HydrophobicContact CE2-CB 4.31Å; Y415-M418 HydrophobicContact CG-CB 3.98Å; Y415-M418 WeakPolarHBondContact O-CB 3.31Å; Y415-M418 PolarHBondContact O-N 2.88Å
416	P	91.7	Very high	78.7	Confident	61 Å²	61	61.6 Å²	61.6	40%	0.396	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.3	-176	25.4	-34.8	0	0	0	113.3	L411 M418 Q419 A420	L411-P416 WeakPolarHBondContact O-CA 3.22Å; P416-M418 PolarHBondContact O-N 2.95Å; P416-Q419 PolarHBondContact O-N 3.41Å; P416-Q419 VanDerWaalsContact O-N 3.09Å; P416-A420 PolarHBondContact O-N 3.21Å
417	E	85.9	Confident	76.1	Confident	66 Å²	66	67.5 Å²	67.5	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-24.7	-179.5	-55.5	85.9	164	0	0	112.5	R254 Y415 Q419 A420 V421	R254-E417 IonicContact CZ-OE1 2.66Å; R254-E417 IonicContact CZ-OE2 2.73Å; R254-E417 IonicContact NH1-OE1 3.7Å; R254-E417 IonicContact NH1-OE2 3.05Å; R254-E417 IonicContact NH2-OE1 3.67Å; R254-E417 PolarHBondContact NH2-OE1 2.67Å; R254-E417 IonicContact NH2-OE2 3.19Å; R254-E417 PolarHBondContact NH2-OE2 3.29Å; Y415-E417 HydrophobicContact CE2-CB 4.45Å; Y415-E417 PolarHBondContact O-N 3.13Å; E417-Q419 PolarHBondContact O-N 2.85Å; E417-A420 PolarHBondContact O-N 2.94Å; E417-V421 WeakPolarHBondContact O-CG2 3.31Å; E417-V421 PolarHBondContact O-N 2.75Å
418	M	83.6	Confident	73.4	Confident	10 Å²	10	72.8 Å²	72.8	5%	0.049	41%	0.405	C	S	.	.	H	α-helix	trans	-62.1	-34.1	174	-165.3	-179.5	-175.1	0	0	111.8	F257 W259 L411 Y415 P416	F257-M418 HydrophobicContact CD1-SD 4.33Å; F257-M418 HydrophobicContact CD2-CE 3.74Å; F257-M418 HydrophobicContact CD2-SD 4.45Å; F257-M418 HydrophobicContact CE1-CE 4.15Å; F257-M418 HydrophobicContact CE1-SD 3.59Å; F257-M418 VanDerWaalsContact CE1-SD 3.59Å; F257-M418 HydrophobicContact CE2-CE 3.24Å; F257-M418 HydrophobicContact CE2-SD 3.73Å; F257-M418 HydrophobicContact CG-CE 4.36Å; F257-M418 HydrophobicContact CZ-CE 3.45Å; F257-M418 VanDerWaalsContact CZ-CE 3.45Å; F257-M418 HydrophobicContact CZ-SD 3.21Å; F257-M418 WeakPolarHBondContact CZ-SD 3.18Å; W259-M418 HydrophobicContact CD2-CE 3.51Å; W259-M418 VanDerWaalsContact CE2-CE 3.49Å; W259-M418 HydrophobicContact CE3-CE 3.79Å; W259-M418 HydrophobicContact CG-CE 4.03Å; W259-M418 HydrophobicContact CH2-CE 4.03Å; W259-M418 HydrophobicContact CH2-SD 4.34Å; W259-M418 HydrophobicContact CZ2-CE 3.77Å; W259-M418 HydrophobicContact CZ2-CG 4.43Å; W259-M418 HydrophobicContact CZ2-SD 4.17Å; W259-M418 HydrophobicContact CZ3-CE 4.04Å; L411-M418 HydrophobicContact CD2-CB 4.39Å; L411-M418 HydrophobicContact CD2-SD 3.66Å; Y415-M418 HydrophobicContact CD1-CB 3.7Å; Y415-M418 HydrophobicContact CD1-CG 4.23Å; Y415-M418 HydrophobicContact CD1-SD 3.92Å; Y415-M418 HydrophobicContact CD2-CB 4.28Å; Y415-M418 HydrophobicContact CE1-CB 3.71Å; Y415-M418 HydrophobicContact CE1-CG 3.96Å; Y415-M418 HydrophobicContact CE1-SD 3.85Å; Y415-M418 HydrophobicContact CE2-CB 4.31Å; Y415-M418 HydrophobicContact CG-CB 3.98Å; Y415-M418 WeakPolarHBondContact O-CB 3.31Å; Y415-M418 PolarHBondContact O-N 2.88Å; P416-M418 PolarHBondContact O-N 2.95Å
419	Q	70.8	Confident	70.7	Confident	42 Å²	42	71.1 Å²	71.1	20%	0.196	41%	0.408	C	S	.	.	H	α-helix	trans	-77.5	-35	176	-61.5	-174.4	8.2	0	0	111.8	R408 L411 D412 P416 E417 V421 A422 N423	R408-Q419 VanDerWaalsContact CZ-NE2 3.26Å; L411-Q419 HydrophobicContact CB-CG 4.31Å; D412-Q419 PolarHBondContact OD1-NE2 2.85Å; D412-Q419 PolarHBondContact OD1-OE1 3.36Å; P416-Q419 PolarHBondContact O-N 3.41Å; P416-Q419 VanDerWaalsContact O-N 3.09Å; E417-Q419 PolarHBondContact O-N 2.85Å; Q419-V421 VanDerWaalsContact C-N 3.32Å; Q419-V421 PolarHBondContact O-N 3.1Å; Q419-A422 WeakPolarHBondContact O-CB 3.45Å; Q419-A422 PolarHBondContact O-N 2.98Å; Q419-N423 PolarHBondContact O-N 2.83Å
420	A	60.9	Low	68	Low	46 Å²	46	72.3 Å²	72.3	38%	0.38	43%	0.427	S	S	.	.	H	α-helix	trans	-63.9	-34.9	179.3	0	0	0	0	0	113	P416 E417 N423	P416-A420 PolarHBondContact O-N 3.21Å; E417-A420 PolarHBondContact O-N 2.94Å; A420-N423 PolarHBondContact O-N 3.39Å
421	V	57.5	Low	65.5	Low	105 Å²	105	77.9 Å²	77.9	64%	0.636	45%	0.451	S	S	*	.	H	α-helix	trans	-70.3	-31.5	175.9	177	0	0	0	0	112	E417 Q419 N423	E417-V421 WeakPolarHBondContact O-CG2 3.31Å; E417-V421 PolarHBondContact O-N 2.75Å; Q419-V421 VanDerWaalsContact C-N 3.32Å; Q419-V421 PolarHBondContact O-N 3.1Å; V421-N423 VanDerWaalsContact C-N 3.3Å; V421-N423 PolarHBondContact O-N 2.77Å
422	A	53.8	Low	62.8	Low	70 Å²	70	84.5 Å²	84.5	58%	0.579	49%	0.491	S	S	*	.	H	α-helix	trans	-69.6	-26.8	176	0	0	0	0	0	112.9	Q419 G424	Q419-A422 WeakPolarHBondContact O-CB 3.45Å; Q419-A422 PolarHBondContact O-N 2.98Å; A422-G424 VanDerWaalsContact C-N 3.33Å; A422-G424 PolarHBondContact O-N 2.91Å
423	N	47.2	Very low	60.3	Low	139 Å²	139	86.2 Å²	86.2	74%	0.743	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	16.9	-178.5	-68.6	-17.7	0	0	0	114.4	Q419 A420 V421	Q419-N423 PolarHBondContact O-N 2.83Å; A420-N423 PolarHBondContact O-N 3.39Å; V421-N423 VanDerWaalsContact C-N 3.3Å; V421-N423 PolarHBondContact O-N 2.77Å
424	G	45.4	Very low	57.7	Low	56 Å²	56	93.8 Å²	93.8	58%	0.577	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	2.6	169	0	0	0	0	0	116.6	A422 K426	A422-G424 VanDerWaalsContact C-N 3.33Å; A422-G424 PolarHBondContact O-N 2.91Å; G424-K426 VanDerWaalsContact C-N 3.3Å; G424-K426 PolarHBondContact O-N 2.93Å
425	N	43.4	Very low	55.1	Low	129 Å²	129	96.3 Å²	96.3	69%	0.69	55%	0.554	S	S	*	*			trans	-76.4	82.3	172	-85.5	-9	0	0	0	110.8	Q427	N425-Q427 VanDerWaalsContact C-N 3.26Å; N425-Q427 PolarHBondContact O-N 3.1Å
426	K	45	Very low	52.9	Low	197 Å²	197	104.8 Å²	104.8	86%	0.857	60%	0.598	S	S	*	*			trans	-77.3	74.8	169	-67.2	-178.1	-177.6	177.2	0	110	G424	G424-K426 VanDerWaalsContact C-N 3.3Å; G424-K426 PolarHBondContact O-N 2.93Å
427	Q	42.5	Very low	51.5	Low	177 Å²	177	110.5 Å²	110.5	83%	0.827	61%	0.612	S	S	*	*			trans	-121.7	104	154.9	-75	-166.1	-11.7	0	0	107.7	N425 P429	N425-Q427 VanDerWaalsContact C-N 3.26Å; N425-Q427 PolarHBondContact O-N 3.1Å; Q427-P429 WeakPolarHBondContact O-CD 3.47Å
428	P	42.3	Very low	50.7	Low	110 Å²	110	118.4 Å²	118.4	71%	0.714	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-59.5	123.8	163.6	24.9	-28.6	0	0	0	106.3
429	P	41.7	Very low	50.5	Low	75 Å²	75	119.9 Å²	119.9	49%	0.487	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-57.2	139.1	170.9	-18.8	31.5	0	0	0	107.2	P267 Q427 F431	P267-P429 HydrophobicContact CB-CB 4.22Å; P267-P429 HydrophobicContact CG-CB 3.71Å; P267-P429 HydrophobicContact CG-CG 3.53Å; Q427-P429 WeakPolarHBondContact O-CD 3.47Å; P429-F431 PolarHBondContact O-N 3.06Å
430	P	41.2	Very low	51.3	Low	110 Å²	110	124.3 Å²	124.3	71%	0.714	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-57.8	119.8	175.8	23.9	-30.7	0	0	0	107.2	V432	P430-V432 PolarHBondContact O-N 3.1Å; P430-V432 VanDerWaalsContact O-N 3.07Å
431	F	44.7	Very low	52.7	Low	116 Å²	116	125.6 Å²	125.6	51%	0.509	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-52.1	122.1	158.1	-69.7	-83.7	0	0	0	105.3	P429 N433	P429-F431 PolarHBondContact O-N 3.06Å; F431-N433 PolarHBondContact O-N 3.04Å
432	V	39.9	Very low	54.3	Low	140 Å²	140	125.1 Å²	125.1	85%	0.848	66%	0.664	S	S	*	*			trans	-72	66	169.2	-173.6	0	0	0	0	106.8	P430 K434	P430-V432 PolarHBondContact O-N 3.1Å; P430-V432 VanDerWaalsContact O-N 3.07Å; V432-K434 PolarHBondContact O-N 3.34Å
433	N	43	Very low	56.1	Low	107 Å²	107	126.3 Å²	126.3	57%	0.572	66%	0.657	S	S	*	*			trans	-72.9	115.9	159.3	-75.6	-17.7	0	0	0	104.2	F431 G435	F431-N433 PolarHBondContact O-N 3.04Å; N433-G435 PolarHBondContact O-N 2.91Å
434	K	40.6	Very low	58.2	Low	203 Å²	203	124.8 Å²	124.8	88%	0.883	65%	0.645	S	S	*	*			trans	-41.2	122.3	154.6	-81.3	179	173.9	177.1	0	105.9	V432	V432-K434 PolarHBondContact O-N 3.34Å
435	G	41.5	Very low	60.5	Low	64 Å²	64	122.3 Å²	122.3	66%	0.66	62%	0.62	S	S	*	*			trans	-45.9	148.4	-160.1	0	0	0	0	0	113.2	N433 R437	N433-G435 PolarHBondContact O-N 2.91Å; G435-R437 PolarHBondContact O-N 2.81Å
436	L	49.4	Very low	62.9	Low	178 Å²	178	117.4 Å²	117.4	93%	0.932	59%	0.592	S	S	*	*			trans	-49.4	92.6	169.1	-86.2	126.5	0	0	0	108.7	R438	L436-R438 PolarHBondContact O-N 2.82Å
437	R	61.7	Low	65.2	Low	180 Å²	180	108 Å²	108	68%	0.679	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-67.8	121.6	171.1	177.4	174.8	162.8	179.8	-9.3	104.4	G435 P439 E487	G435-R437 PolarHBondContact O-N 2.81Å; R437-P439 VanDerWaalsContact O-CD 3.3Å; R437-P439 WeakPolarHBondContact O-CD 3.33Å; R437-E487 IonicContact CZ-OE1 3.04Å; R437-E487 IonicContact CZ-OE2 3.27Å; R437-E487 IonicContact NE-OE1 2.79Å; R437-E487 PolarHBondContact NE-OE1 3.47Å; R437-E487 VanDerWaalsContact NH2-CD 3.3Å; R437-E487 IonicContact NH2-OE1 3.78Å; R437-E487 PolarHBondContact NH2-OE1 3.31Å; R437-E487 IonicContact NH2-OE2 2.66Å; R437-E487 PolarHBondContact NH2-OE2 2.81Å
438	R	68.3	Low	67.7	Low	233 Å²	233	103.8 Å²	103.8	88%	0.879	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-63.6	121.2	167.9	-73.6	-174.1	-179.8	-177.7	0.2	106.7	L436 K440	L436-R438 PolarHBondContact O-N 2.82Å; R438-K440 PolarHBondContact O-N 3.48Å
439	P	80.6	Confident	70.2	Confident	40 Å²	40	98.5 Å²	98.5	26%	0.26	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-57.7	137.8	-179.4	-25.8	37.1	0	0	0	109.8	R437 V441 D486 E487 D488	R437-P439 VanDerWaalsContact O-CD 3.3Å; R437-P439 WeakPolarHBondContact O-CD 3.33Å; P439-V441 PolarHBondContact O-N 3.33Å; P439-D486 HydrophobicContact CB-CB 3.93Å; P439-E487 HydrophobicContact CB-CG 3.97Å; P439-D488 WeakPolarHBondContact CG-OD2 3.47Å
440	K	87.5	Confident	72.5	Confident	136 Å²	136	97.7 Å²	97.7	59%	0.591	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-67.7	124.7	175.2	-175.3	-178.9	175.7	-174.8	0	109.3	R438 L442 D486 E487	R438-K440 PolarHBondContact O-N 3.48Å; K440-L442 PolarHBondContact O-N 2.89Å; K440-D486 CarbonylContact O-C 3.54Å; K440-D486 WeakPolarHBondContact O-CA 3.4Å; K440-E487 HydrophobicContact CB-CG 4.34Å; K440-E487 PolarHBondContact N-OE1 2.73Å; K440-E487 PolarHBondContact O-N 3.27Å
441	V	90.4	Very high	74.9	Confident	73 Å²	73	94.5 Å²	94.5	44%	0.442	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.2	168.8	179.5	0	0	0	0	108.6	P439 Q443 H444	P439-V441 PolarHBondContact O-N 3.33Å; V441-Q443 VanDerWaalsContact CG1-O 3.29Å; V441-Q443 WeakPolarHBondContact CG1-O 3.43Å; V441-H444 HydrophobicContact CG1-CB 4.47Å
442	L	90.6	Very high	77.1	Confident	94 Å²	94	91.6 Å²	91.6	49%	0.492	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-42.3	179.7	-62.2	-176.8	0	0	0	111.4	K440 Y485 E487	K440-L442 PolarHBondContact O-N 2.89Å; L442-Y485 HydrophobicContact CB-CD1 4.36Å; L442-Y485 HydrophobicContact CD1-CD1 4.35Å; L442-Y485 HydrophobicContact CD1-CE1 4.22Å; L442-Y485 PolarHBondContact N-O 2.8Å; L442-E487 HydrophobicContact CD1-CB 4.37Å; L442-E487 HydrophobicContact CD2-CB 4.22Å; L442-E487 HydrophobicContact CG-CB 4.28Å
443	Q	91.2	Very high	79.5	Confident	96 Å²	96	86.3 Å²	86.3	45%	0.449	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.7	-179.5	-65.1	-177.8	28.2	0	0	110.4	V441 S484 Y485 L568	V441-Q443 VanDerWaalsContact CG1-O 3.29Å; V441-Q443 WeakPolarHBondContact CG1-O 3.43Å; Q443-S484 WeakPolarHBondContact O-CA 3.48Å; Q443-Y485 PolarHBondContact N-O 2.88Å; Q443-Y485 VanDerWaalsContact N-O 3.11Å; Q443-Y485 PolarHBondContact O-N 3.29Å; Q443-L568 HydrophobicContact CB-CD2 3.51Å; Q443-L568 HydrophobicContact CB-CG 4.46Å
444	H	91.9	Very high	81.9	Confident	106 Å²	106	86 Å²	86	49%	0.491	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	142.8	-179.3	173.7	94.2	0	0	0	108.8	V441 D482 W483 G570	V441-H444 HydrophobicContact CG1-CB 4.47Å; H444-D482 IonicContact CE1-OD1 2.68Å; H444-D482 PolarHBondContact CE1-OD1 2.88Å; H444-D482 IonicContact CE1-OD2 3.23Å; H444-D482 IonicContact ND1-OD1 3.21Å; H444-D482 PolarHBondContact ND1-OD1 3.4Å; H444-D482 IonicContact NE2-OD1 3.17Å; H444-D482 PolarHBondContact NE2-OD1 2.87Å; H444-W483 CarbonylContact C-O 3.53Å; H444-W483 WeakPolarHBondContact CA-O 3.42Å; H444-G570 WeakPolarHBondContact O-CA 3.13Å
445	G	92.8	Very high	84.5	Confident	5 Å²	5	76.4 Å²	76.4	5%	0.052	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-155.8	-177.8	0	0	0	0	0	112.4	W483 E569	G445-W483 PolarHBondContact N-O 2.82Å; G445-W483 WeakPolarHBondContact O-CA 3.27Å; G445-W483 WeakPolarHBondContact O-CB 3.3Å; G445-W483 PolarHBondContact O-N 2.85Å; G445-W483 VanDerWaalsContact O-O 3.04Å; G445-E569 CarbonylContact C-O 3.6Å; G445-E569 VanDerWaalsContact CA-O 3.23Å; G445-E569 WeakPolarHBondContact CA-O 3.35Å
446	R	93.9	Very high	87	Confident	26 Å²	26	73.3 Å²	73.3	10%	0.098	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.7	-179.6	-60.1	160.8	-63	174.2	6.1	110.5	R448 N475 H476 Q481 Q567 L568 E569	R446-R448 PolarHBondContact O-N 3.2Å; R446-N475 WeakPolarHBondContact CD-O 3.48Å; R446-H476 VanDerWaalsContact CZ-NE2 3.31Å; R446-H476 PolarHBondContact NH1-CD2 3.5Å; R446-H476 VanDerWaalsContact NH1-CG 3.25Å; R446-H476 PolarHBondContact NH1-NE2 2.74Å; R446-H476 PolarHBondContact NH2-CE1 3.29Å; R446-H476 PolarHBondContact NH2-NE2 3.17Å; R446-Q481 WeakPolarHBondContact CA-O 3.4Å; R446-Q481 HydrophobicContact CG-CB 4.05Å; R446-Q481 WeakPolarHBondContact CG-O 3.11Å; R446-Q567 VanDerWaalsContact O-O 3.11Å; R446-L568 WeakPolarHBondContact O-CA 3.4Å; R446-E569 PolarHBondContact N-O 2.93Å; R446-E569 PolarHBondContact O-N 3.48Å
447	L	94.8	Very high	89.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	93.8	174.8	-76.8	172.5	0	0	0	110.3	C455 L456 W483 L491 L568	L447-C455 CarbonylContact O-C 3.57Å; L447-C455 VanDerWaalsContact O-CA 3.28Å; L447-C455 WeakPolarHBondContact O-CA 3Å; L447-L456 HydrophobicContact CB-CB 3.96Å; L447-L456 HydrophobicContact CD1-CD2 3.99Å; L447-L456 PolarHBondContact O-N 2.86Å; L447-W483 HydrophobicContact CD1-CB 4.24Å; L447-W483 HydrophobicContact CD1-CD2 3.8Å; L447-W483 HydrophobicContact CD1-CE3 4.31Å; L447-W483 HydrophobicContact CD1-CG 3.75Å; L447-W483 HydrophobicContact CG-CB 4.2Å; L447-W483 HydrophobicContact CG-CG 3.99Å; L447-L491 HydrophobicContact CD1-CD1 3.82Å; L447-L491 HydrophobicContact CD1-CD2 4Å; L447-L491 HydrophobicContact CD1-CG 4.49Å; L447-L568 HydrophobicContact CD2-CB 4.02Å; L447-L568 HydrophobicContact CD2-CD1 3.74Å; L447-L568 HydrophobicContact CD2-CG 4.4Å; L447-L568 HydrophobicContact CG-CD1 3.81Å
448	R	94.3	Very high	90.6	Very high	87 Å²	87	56.3 Å²	56.3	33%	0.328	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132	178.7	-174.8	-178.1	175.6	-155.1	-3.5	111.3	R446 W566 Q567 E569	R446-R448 PolarHBondContact O-N 3.2Å; R448-W566 CarbonylContact O-C 3.55Å; R448-W566 VanDerWaalsContact O-CA 3.31Å; R448-W566 WeakPolarHBondContact O-CA 3.48Å; R448-Q567 PolarHBondContact N-O 3.41Å; R448-Q567 PolarHBondContact O-N 3.44Å; R448-E569 VanDerWaalsContact CD-OE1 3.23Å; R448-E569 WeakPolarHBondContact CD-OE1 3.47Å; R448-E569 WeakPolarHBondContact CD-OE2 3.12Å; R448-E569 IonicContact CZ-OE1 3.87Å; R448-E569 IonicContact NE-OE1 3.81Å; R448-E569 IonicContact NH1-OE1 3.01Å; R448-E569 PolarHBondContact NH1-OE1 2.83Å; R448-E569 IonicContact NH1-OE2 3.65Å
449	N	93.6	Very high	91.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128	169.4	-179	-101.8	0	0	0	110.6	A451 T452 G453 R454 L471 V543 V563 Q565 W566	N449-A451 PolarHBondContact OD1-N 3.34Å; N449-T452 PolarHBondContact OD1-N 3.35Å; N449-T452 VanDerWaalsContact OD1-N 3.09Å; N449-T452 PolarHBondContact OD1-OG1 2.88Å; N449-G453 VanDerWaalsContact O-CA 3.32Å; N449-G453 WeakPolarHBondContact O-CA 3.39Å; N449-G453 PolarHBondContact O-N 2.04Å; N449-R454 PolarHBondContact N-O 2.88Å; N449-L471 HydrophobicContact CB-CD2 4.4Å; N449-V543 HydrophobicContact CB-CG2 4.38Å; N449-V543 WeakPolarHBondContact ND2-CG2 3.31Å; N449-V563 PolarHBondContact ND2-O 3.3Å; N449-Q565 WeakPolarHBondContact CA-O 3.47Å; N449-Q565 PolarHBondContact ND2-O 2.92Å; N449-W566 HydrophobicContact CB-CD2 4.29Å; N449-W566 HydrophobicContact CB-CE3 3.8Å; N449-W566 HydrophobicContact CB-CH2 3.89Å; N449-W566 HydrophobicContact CB-CZ2 4.33Å; N449-W566 HydrophobicContact CB-CZ3 3.6Å
450	L	91.8	Very high	91.9	Very high	58 Å²	58	49 Å²	49	30%	0.304	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-34.4	-173.4	-60.1	-172.5	0	0	0	113.2	Q565 Q567	L450-Q565 HydrophobicContact CB-CB 4.03Å; L450-Q565 HydrophobicContact CD1-CB 3.87Å; L450-Q565 HydrophobicContact CG-CB 4.06Å; L450-Q565 PolarHBondContact N-O 2.83Å; L450-Q567 HydrophobicContact CD2-CB 4.04Å
451	A	90.5	Very high	92	Very high	43 Å²	43	51.6 Å²	51.6	36%	0.355	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-37.1	179.2	0	0	0	0	0	113.5	N449 E562 V563	N449-A451 PolarHBondContact OD1-N 3.34Å; A451-E562 HydrophobicContact CB-CB 3.89Å; A451-E562 WeakPolarHBondContact CB-O 3.07Å; A451-V563 HydrophobicContact CB-CG1 4.14Å
452	T	90.2	Very high	92	Very high	54 Å²	54	49.4 Å²	49.4	33%	0.331	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-16.4	-175.3	60.5	0	0	0	0	113.8	N449 R454 L471 V543	N449-T452 PolarHBondContact OD1-N 3.35Å; N449-T452 VanDerWaalsContact OD1-N 3.09Å; N449-T452 PolarHBondContact OD1-OG1 2.88Å; T452-R454 PolarHBondContact O-N 2.85Å; T452-R454 PolarHBondContact OG1-N 2.74Å; T452-L471 HydrophobicContact CG2-CD1 4.45Å; T452-V543 HydrophobicContact CG2-CG1 4.31Å; T452-V543 HydrophobicContact CG2-CG2 4.36Å
453	G	91.1	Very high	91.9	Very high	30 Å²	30	48.7 Å²	48.7	31%	0.309	25%	0.249	S	C	.	.			trans	65	11.7	-172.2	0	0	0	0	0	114.4	N449	N449-G453 VanDerWaalsContact O-CA 3.32Å; N449-G453 WeakPolarHBondContact O-CA 3.39Å; N449-G453 PolarHBondContact O-N 2.04Å
454	R	93.1	Very high	92	Very high	101 Å²	101	48.9 Å²	48.9	38%	0.381	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	156.5	-179.1	-68.5	-178.5	-178.8	169	1.5	111.3	N449 T452 L471 R472 C474	N449-R454 PolarHBondContact N-O 2.88Å; T452-R454 PolarHBondContact O-N 2.85Å; T452-R454 PolarHBondContact OG1-N 2.74Å; R454-L471 HydrophobicContact CB-CB 3.96Å; R454-L471 HydrophobicContact CB-CD2 4.24Å; R454-R472 WeakPolarHBondContact CA-O 3.49Å; R454-R472 WeakPolarHBondContact CB-O 3.27Å; R454-C474 VanDerWaalsContact C-SG 3.59Å
455	C	94.5	Very high	92	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	146.6	-178.1	-75	0	0	0	0	111.6	L447 V457 L471 R472 C474	L447-C455 CarbonylContact O-C 3.57Å; L447-C455 VanDerWaalsContact O-CA 3.28Å; L447-C455 WeakPolarHBondContact O-CA 3Å; C455-V457 WeakPolarHBondContact O-CG1 3.39Å; C455-L471 WeakPolarHBondContact O-CA 3.25Å; C455-R472 PolarHBondContact N-O 2.88Å; C455-R472 PolarHBondContact O-N 3.4Å; C455-C474 HydrophobicContact CB-CB 4.02Å; C455-C474 WeakPolarHBondContact CB-SG 3.43Å; C455-C474 PolarHBondContact N-SG 3.26Å; C455-C474 WeakPolarHBondContact SG-CB 3.18Å; C455-C474 CovalentContact SG-SG 2.04Å; C455-C474 PolarHBondContact SG-SG 3.06Å
456	L	94.9	Very high	92	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.3	173.9	-169.2	71.5	0	0	0	109.7	L447 V469 V470 W483 L499 L541 V553 W566	L447-L456 HydrophobicContact CB-CB 3.96Å; L447-L456 HydrophobicContact CD1-CD2 3.99Å; L447-L456 PolarHBondContact O-N 2.86Å; L456-V469 HydrophobicContact CD1-CB 3.91Å; L456-V469 HydrophobicContact CD1-CG2 3.98Å; L456-V469 HydrophobicContact CG-CB 4.18Å; L456-V470 WeakPolarHBondContact CA-O 3.36Å; L456-W483 HydrophobicContact CD2-CH2 4.35Å; L456-W483 HydrophobicContact CD2-CZ2 3.81Å; L456-W483 HydrophobicContact CG-CZ2 4.08Å; L456-W483 PolarHBondContact O-NE1 3.41Å; L456-L499 HydrophobicContact CD2-CD2 4.23Å; L456-L541 HydrophobicContact CD1-CD2 4.43Å; L456-L541 HydrophobicContact CD2-CD2 4.04Å; L456-V553 HydrophobicContact CD1-CG1 3.94Å; L456-V553 HydrophobicContact CD1-CG2 4Å; L456-W566 HydrophobicContact CB-CZ3 3.99Å; L456-W566 HydrophobicContact CD1-CH2 4.24Å; L456-W566 HydrophobicContact CD1-CZ3 4.41Å
457	V	94	Very high	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	160	-174.8	-49.1	0	0	0	0	111.8	C455 V469 V470 R472 E480 Q481	C455-V457 WeakPolarHBondContact O-CG1 3.39Å; V457-V469 CarbonylContact O-C 3.38Å; V457-V469 WeakPolarHBondContact O-CA 3.37Å; V457-V469 WeakPolarHBondContact O-CB 3.49Å; V457-V470 HydrophobicContact CG2-CG2 3.68Å; V457-V470 WeakPolarHBondContact CG2-O 3.49Å; V457-V470 PolarHBondContact N-O 3.2Å; V457-V470 PolarHBondContact O-N 2.92Å; V457-R472 HydrophobicContact CG1-CB 4.07Å; V457-R472 HydrophobicContact CG2-CB 4Å; V457-R472 HydrophobicContact CG2-CG 3.72Å; V457-E480 VanDerWaalsContact CA-O 3.26Å; V457-E480 WeakPolarHBondContact CA-O 3.33Å; V457-Q481 HydrophobicContact CB-CG 4.4Å; V457-Q481 HydrophobicContact CG1-CB 4.12Å; V457-Q481 HydrophobicContact CG1-CG 3.44Å; V457-Q481 VanDerWaalsContact CG1-CG 3.44Å
458	A	93	Very high	91.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.2	164.1	0	0	0	0	0	110.9	G460 E480 L493 L512	A458-G460 VanDerWaalsContact C-N 3.31Å; A458-G460 WeakPolarHBondContact CB-O 3.43Å; A458-E480 PolarHBondContact N-O 2.91Å; A458-L493 HydrophobicContact CB-CD2 3.74Å; A458-L512 HydrophobicContact CB-CD1 3.72Å
459	Q	89.1	Confident	91.6	Very high	94 Å²	94	48.6 Å²	48.6	44%	0.439	27%	0.271	S	S	.	.	S	Bend	trans	-71	-30.5	173.1	-170.6	-175.3	-23.2	0	0	112.1	A468 V470	Q459-A468 WeakPolarHBondContact CB-O 3.44Å; Q459-A468 PolarHBondContact N-O 2.95Å; Q459-V470 HydrophobicContact CB-CG1 4.05Å; Q459-V470 HydrophobicContact CB-CG2 4.03Å; Q459-V470 HydrophobicContact CG-CG1 4.15Å; Q459-V470 HydrophobicContact CG-CG2 4.32Å
460	G	87.3	Confident	91.5	Very high	25 Å²	25	49 Å²	49	26%	0.258	27%	0.273	S	S	.	.	S	Bend	trans	-120.2	-149.9	176.5	0	0	0	0	0	110.9	A458	A458-G460 VanDerWaalsContact C-N 3.31Å; A458-G460 WeakPolarHBondContact CB-O 3.43Å
461	R	89.1	Confident	91.5	Very high	190 Å²	190	46.6 Å²	46.6	72%	0.717	26%	0.26	S	S	*	.			trans	-66.2	141.2	179.6	-60.3	179.3	-177.1	-179.5	0.1	110.8	S463 Q464	R461-S463 PolarHBondContact O-N 3.48Å; R461-Q464 HydrophobicContact CB-CB 4.37Å; R461-Q464 VanDerWaalsContact O-CB 3.24Å; R461-Q464 WeakPolarHBondContact O-CB 3.33Å; R461-Q464 PolarHBondContact O-N 3.2Å
462	V	89.5	Confident	91.6	Very high	28 Å²	28	48.3 Å²	48.3	17%	0.17	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.2	174.9	-64.1	0	0	0	0	114.5	E480 L493 A494 L496 L497	V462-E480 HydrophobicContact CG1-CB 4.07Å; V462-E480 HydrophobicContact CG1-CG 3.57Å; V462-L493 HydrophobicContact CB-CD2 4.3Å; V462-L493 HydrophobicContact CG1-CD2 4Å; V462-L493 HydrophobicContact CG1-CG 4.36Å; V462-A494 HydrophobicContact CB-CB 4.18Å; V462-A494 HydrophobicContact CG1-CB 4.23Å; V462-A494 HydrophobicContact CG2-CB 4.33Å; V462-L496 HydrophobicContact CB-CD1 4.41Å; V462-L496 HydrophobicContact CG2-CD1 3.74Å; V462-L497 VanDerWaalsContact O-CD1 3.28Å; V462-L497 WeakPolarHBondContact O-CD1 3.44Å; V462-L497 WeakPolarHBondContact O-CG 3.39Å
463	S	90.3	Very high	91.7	Very high	78 Å²	78	50.4 Å²	50.4	55%	0.545	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.1	178.6	58.3	0	0	0	0	114.2	R461 K465	R461-S463 PolarHBondContact O-N 3.48Å; S463-K465 PolarHBondContact O-N 2.89Å
464	Q	93	Very high	91.8	Very high	100 Å²	100	51 Å²	51	47%	0.467	27%	0.271	S	S	.	.			trans	-78.6	103	-177.3	-174.4	176.4	-3.5	0	0	111.3	R461 G466 G467	R461-Q464 HydrophobicContact CB-CB 4.37Å; R461-Q464 VanDerWaalsContact O-CB 3.24Å; R461-Q464 WeakPolarHBondContact O-CB 3.33Å; R461-Q464 PolarHBondContact O-N 3.2Å; Q464-G466 PolarHBondContact O-N 3.45Å; Q464-G467 PolarHBondContact O-N 3.09Å
465	K	92.2	Very high	91.8	Very high	130 Å²	130	50.4 Å²	50.4	57%	0.565	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	134.1	171.9	-174.9	-175.6	175.3	-172.3	0	110.8	S463 M513	S463-K465 PolarHBondContact O-N 2.89Å; K465-M513 HydrophobicContact CG-CE 4.38Å; K465-M513 HydrophobicContact CG-SD 3.8Å
466	G	91.1	Very high	91.2	Very high	44 Å²	44	57 Å²	57	45%	0.454	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	4.6	-175.4	0	0	0	0	0	113.9	Q464 L512	Q464-G466 PolarHBondContact O-N 3.45Å; G466-L512 WeakPolarHBondContact CA-O 3.31Å; G466-L512 PolarHBondContact N-O 3.02Å
467	G	90.6	Very high	90.7	Very high	8 Å²	8	60.2 Å²	60.2	8%	0.082	34%	0.339	C	S	.	.			trans	-63.5	135.8	176.6	0	0	0	0	0	111.5	Q464 R511 L512	Q464-G467 PolarHBondContact O-N 3.09Å; G467-R511 CarbonylContact O-C 3.55Å; G467-R511 WeakPolarHBondContact O-CA 3.39Å; G467-L512 PolarHBondContact O-N 2.84Å
468	A	91	Very high	90.4	Very high	33 Å²	33	61.6 Å²	61.6	27%	0.273	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-73	155.9	173.6	0	0	0	0	0	111.1	Q459	Q459-A468 WeakPolarHBondContact CB-O 3.44Å; Q459-A468 PolarHBondContact N-O 2.95Å
469	V	92.9	Very high	90.1	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.024	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.1	170.4	-69.5	0	0	0	0	110.9	L456 V457 W483 L499 P510 L512 V553	L456-V469 HydrophobicContact CD1-CB 3.91Å; L456-V469 HydrophobicContact CD1-CG2 3.98Å; L456-V469 HydrophobicContact CG-CB 4.18Å; V457-V469 CarbonylContact O-C 3.38Å; V457-V469 WeakPolarHBondContact O-CA 3.37Å; V457-V469 WeakPolarHBondContact O-CB 3.49Å; V469-W483 HydrophobicContact CG1-CH2 4.25Å; V469-W483 HydrophobicContact CG1-CZ2 4.27Å; V469-L499 HydrophobicContact CG1-CD1 3.98Å; V469-L499 HydrophobicContact CG2-CD1 3.82Å; V469-P510 HydrophobicContact CG2-CB 3.97Å; V469-L512 HydrophobicContact CG1-CD1 4.43Å; V469-L512 HydrophobicContact CG1-CD2 4.08Å; V469-L512 HydrophobicContact CG1-CG 4.01Å; V469-V553 HydrophobicContact CG2-CG2 3.77Å
470	V	92.8	Very high	90.2	Very high	8 Å²	8	63.1 Å²	63.1	5%	0.048	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	177.5	-175.5	-64.9	0	0	0	0	110.3	L456 V457 Q459 Y552	L456-V470 WeakPolarHBondContact CA-O 3.36Å; V457-V470 HydrophobicContact CG2-CG2 3.68Å; V457-V470 WeakPolarHBondContact CG2-O 3.49Å; V457-V470 PolarHBondContact N-O 3.2Å; V457-V470 PolarHBondContact O-N 2.92Å; Q459-V470 HydrophobicContact CB-CG1 4.05Å; Q459-V470 HydrophobicContact CB-CG2 4.03Å; Q459-V470 HydrophobicContact CG-CG1 4.15Å; Q459-V470 HydrophobicContact CG-CG2 4.32Å; V470-Y552 HydrophobicContact CG1-CD1 3.98Å; V470-Y552 HydrophobicContact CG1-CE1 4.09Å
471	L	92.4	Very high	90.4	Very high	7 Å²	7	62 Å²	62	4%	0.037	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.5	175.5	-70	176.1	0	0	0	112.3	N449 T452 R454 C455 V543 G551 V553 W566	N449-L471 HydrophobicContact CB-CD2 4.4Å; T452-L471 HydrophobicContact CG2-CD1 4.45Å; R454-L471 HydrophobicContact CB-CB 3.96Å; R454-L471 HydrophobicContact CB-CD2 4.24Å; C455-L471 WeakPolarHBondContact O-CA 3.25Å; L471-V543 HydrophobicContact CD1-CB 4.28Å; L471-V543 HydrophobicContact CD1-CG1 3.69Å; L471-V543 HydrophobicContact CD1-CG2 3.6Å; L471-G551 WeakPolarHBondContact CB-O 3.3Å; L471-G551 PolarHBondContact N-O 2.76Å; L471-V553 HydrophobicContact CG-CG1 4.18Å; L471-W566 HydrophobicContact CD2-CH2 3.74Å; L471-W566 HydrophobicContact CD2-CZ3 3.82Å
472	R	91.7	Very high	90.6	Very high	79 Å²	79	55.4 Å²	55.4	30%	0.298	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163.3	170.1	-73.6	-166.1	-45.5	-151.3	-4.5	111.5	R454 C455 V457 C474 D478 E480	R454-R472 WeakPolarHBondContact CA-O 3.49Å; R454-R472 WeakPolarHBondContact CB-O 3.27Å; C455-R472 PolarHBondContact N-O 2.88Å; C455-R472 PolarHBondContact O-N 3.4Å; V457-R472 HydrophobicContact CG1-CB 4.07Å; V457-R472 HydrophobicContact CG2-CB 4Å; V457-R472 HydrophobicContact CG2-CG 3.72Å; R472-C474 PolarHBondContact O-N 3.16Å; R472-D478 IonicContact CZ-OD2 3.74Å; R472-D478 IonicContact NH2-OD1 3.83Å; R472-D478 IonicContact NH2-OD2 2.78Å; R472-D478 PolarHBondContact NH2-OD2 2.94Å; R472-E480 IonicContact CZ-OE2 3.19Å; R472-E480 IonicContact NH1-OE2 2.79Å; R472-E480 PolarHBondContact NH1-OE2 3.43Å; R472-E480 IonicContact NH2-OE2 2.67Å; R472-E480 PolarHBondContact NH2-OE2 3.08Å
473	P	92.8	Very high	90.9	Very high	99 Å²	99	54.1 Å²	54.1	64%	0.643	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.4	135.2	169.6	-26.2	35.6	0	0	0	111.6	N475 Q481	P473-N475 PolarHBondContact O-N 2.88Å; P473-Q481 PolarHBondContact O-NE2 3.03Å; P473-Q481 VanDerWaalsContact O-NE2 3.08Å
474	C	92.9	Very high	91.1	Very high	43 Å²	43	51 Å²	51	29%	0.291	30%	0.298	S	S	.	.			trans	-66.5	129.9	-177.6	-65.3	0	0	0	0	111.2	R454 C455 R472 Q481	R454-C474 VanDerWaalsContact C-SG 3.59Å; C455-C474 HydrophobicContact CB-CB 4.02Å; C455-C474 WeakPolarHBondContact CB-SG 3.43Å; C455-C474 PolarHBondContact N-SG 3.26Å; C455-C474 WeakPolarHBondContact SG-CB 3.18Å; C455-C474 CovalentContact SG-SG 2.04Å; C455-C474 PolarHBondContact SG-SG 3.06Å; R472-C474 PolarHBondContact O-N 3.16Å; C474-Q481 VanDerWaalsContact CA-OE1 3.32Å
475	N	92.1	Very high	91.2	Very high	88 Å²	88	47.7 Å²	47.7	47%	0.471	28%	0.281	S	S	.	.			trans	-136	126.6	178.1	-177.8	-1.2	0	0	0	110.2	R446 P473 G477 D478	R446-N475 WeakPolarHBondContact CD-O 3.48Å; P473-N475 PolarHBondContact O-N 2.88Å; N475-G477 VanDerWaalsContact C-N 3.33Å; N475-G477 PolarHBondContact O-N 2.87Å; N475-G477 PolarHBondContact OD1-N 3.4Å; N475-G477 VanDerWaalsContact OD1-N 3.07Å; N475-D478 HydrophobicContact CB-CB 3.89Å
476	H	82.1	Confident	91.2	Very high	139 Å²	139	41.7 Å²	41.7	64%	0.644	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.2	-179.2	-88.3	-82.2	0	0	0	113.9	R446	R446-H476 VanDerWaalsContact CZ-NE2 3.31Å; R446-H476 PolarHBondContact NH1-CD2 3.5Å; R446-H476 VanDerWaalsContact NH1-CG 3.25Å; R446-H476 PolarHBondContact NH1-NE2 2.74Å; R446-H476 PolarHBondContact NH2-CE1 3.29Å; R446-H476 PolarHBondContact NH2-NE2 3.17Å
477	G	84.3	Confident	91.1	Very high	66 Å²	66	43 Å²	43	68%	0.68	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	4.8	-177.6	0	0	0	0	0	114.7	N475 P479	N475-G477 VanDerWaalsContact C-N 3.33Å; N475-G477 PolarHBondContact O-N 2.87Å; N475-G477 PolarHBondContact OD1-N 3.4Å; N475-G477 VanDerWaalsContact OD1-N 3.07Å; G477-P479 WeakPolarHBondContact O-CD 3.24Å
478	D	88.3	Confident	90.9	Very high	30 Å²	30	46.4 Å²	46.4	16%	0.16	27%	0.265	C	S	.	.			trans	-96.6	107.8	-173.8	179.7	7.8	0	0	0	110.5	R472 N475 E480 Q481	R472-D478 IonicContact CZ-OD2 3.74Å; R472-D478 IonicContact NH2-OD1 3.83Å; R472-D478 IonicContact NH2-OD2 2.78Å; R472-D478 PolarHBondContact NH2-OD2 2.94Å; N475-D478 HydrophobicContact CB-CB 3.89Å; D478-E480 PolarHBondContact O-N 3.4Å; D478-E480 VanDerWaalsContact O-N 3.12Å; D478-E480 VanDerWaalsContact OD1-CB 3.31Å; D478-E480 WeakPolarHBondContact OD1-CB 3.22Å; D478-E480 PolarHBondContact OD1-N 3.43Å; D478-Q481 HydrophobicContact CB-CG 3.82Å; D478-Q481 PolarHBondContact O-N 3.26Å; D478-Q481 VanDerWaalsContact OD2-CG 3.3Å; D478-Q481 WeakPolarHBondContact OD2-CG 3.33Å; D478-Q481 PolarHBondContact OD2-NE2 3.27Å
479	P	86.1	Confident	90.9	Very high	77 Å²	77	45 Å²	45	50%	0.5	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-65	-15.6	-179.5	28.6	-35.6	0	0	0	112.7	G477 Q481 D482	G477-P479 WeakPolarHBondContact O-CD 3.24Å; P479-Q481 PolarHBondContact O-N 3.11Å; P479-D482 PolarHBondContact O-N 3.16Å
480	E	91.3	Very high	90.9	Very high	49 Å²	49	45.4 Å²	45.4	23%	0.229	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-72.2	-5.9	173.2	-65.8	173.6	176.3	0	0	113.3	V457 A458 V462 R472 D478 L493	V457-E480 VanDerWaalsContact CA-O 3.26Å; V457-E480 WeakPolarHBondContact CA-O 3.33Å; A458-E480 PolarHBondContact N-O 2.91Å; V462-E480 HydrophobicContact CG1-CB 4.07Å; V462-E480 HydrophobicContact CG1-CG 3.57Å; R472-E480 IonicContact CZ-OE2 3.19Å; R472-E480 IonicContact NH1-OE2 2.79Å; R472-E480 PolarHBondContact NH1-OE2 3.43Å; R472-E480 IonicContact NH2-OE2 2.67Å; R472-E480 PolarHBondContact NH2-OE2 3.08Å; D478-E480 PolarHBondContact O-N 3.4Å; D478-E480 VanDerWaalsContact O-N 3.12Å; D478-E480 VanDerWaalsContact OD1-CB 3.31Å; D478-E480 WeakPolarHBondContact OD1-CB 3.22Å; D478-E480 PolarHBondContact OD1-N 3.43Å; E480-L493 WeakPolarHBondContact O-CD1 3.28Å
481	Q	92.6	Very high	91.1	Very high	3 Å²	3	45 Å²	45	1%	0.014	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-117.7	3.4	177.2	-30.6	-164.7	0.7	0	0	112.7	R446 V457 P473 C474 D478 P479 W483	R446-Q481 WeakPolarHBondContact CA-O 3.4Å; R446-Q481 HydrophobicContact CG-CB 4.05Å; R446-Q481 WeakPolarHBondContact CG-O 3.11Å; V457-Q481 HydrophobicContact CB-CG 4.4Å; V457-Q481 HydrophobicContact CG1-CB 4.12Å; V457-Q481 HydrophobicContact CG1-CG 3.44Å; V457-Q481 VanDerWaalsContact CG1-CG 3.44Å; P473-Q481 PolarHBondContact O-NE2 3.03Å; P473-Q481 VanDerWaalsContact O-NE2 3.08Å; C474-Q481 VanDerWaalsContact CA-OE1 3.32Å; D478-Q481 HydrophobicContact CB-CG 3.82Å; D478-Q481 PolarHBondContact O-N 3.26Å; D478-Q481 VanDerWaalsContact OD2-CG 3.3Å; D478-Q481 WeakPolarHBondContact OD2-CG 3.33Å; D478-Q481 PolarHBondContact OD2-NE2 3.27Å; P479-Q481 PolarHBondContact O-N 3.11Å; Q481-W483 VanDerWaalsContact O-CD1 3.22Å; Q481-W483 PolarHBondContact O-N 3.41Å
482	D	93.6	Very high	91.2	Very high	51 Å²	51	46 Å²	46	27%	0.273	26%	0.258	S	S	.	.			trans	-82.1	102.6	-177.9	179	14.7	0	0	0	110.4	H444 P479 L493 A494	H444-D482 IonicContact CE1-OD1 2.68Å; H444-D482 PolarHBondContact CE1-OD1 2.88Å; H444-D482 IonicContact CE1-OD2 3.23Å; H444-D482 IonicContact ND1-OD1 3.21Å; H444-D482 PolarHBondContact ND1-OD1 3.4Å; H444-D482 IonicContact NE2-OD1 3.17Å; H444-D482 PolarHBondContact NE2-OD1 2.87Å; P479-D482 PolarHBondContact O-N 3.16Å; D482-L493 CarbonylContact O-C 3.58Å; D482-L493 WeakPolarHBondContact O-CA 3.39Å; D482-L493 WeakPolarHBondContact O-CD1 3.29Å; D482-A494 PolarHBondContact O-N 2.85Å
483	W	95.8	Very high	91.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.4	179.6	-66.2	92.8	0	0	0	111.4	H444 G445 L447 L456 V469 Q481 L491 I492 L493 L499 L512 L568	H444-W483 CarbonylContact C-O 3.53Å; H444-W483 WeakPolarHBondContact CA-O 3.42Å; G445-W483 PolarHBondContact N-O 2.82Å; G445-W483 WeakPolarHBondContact O-CA 3.27Å; G445-W483 WeakPolarHBondContact O-CB 3.3Å; G445-W483 PolarHBondContact O-N 2.85Å; G445-W483 VanDerWaalsContact O-O 3.04Å; L447-W483 HydrophobicContact CD1-CB 4.24Å; L447-W483 HydrophobicContact CD1-CD2 3.8Å; L447-W483 HydrophobicContact CD1-CE3 4.31Å; L447-W483 HydrophobicContact CD1-CG 3.75Å; L447-W483 HydrophobicContact CG-CB 4.2Å; L447-W483 HydrophobicContact CG-CG 3.99Å; L456-W483 HydrophobicContact CD2-CH2 4.35Å; L456-W483 HydrophobicContact CD2-CZ2 3.81Å; L456-W483 HydrophobicContact CG-CZ2 4.08Å; L456-W483 PolarHBondContact O-NE1 3.41Å; V469-W483 HydrophobicContact CG1-CH2 4.25Å; V469-W483 HydrophobicContact CG1-CZ2 4.27Å; Q481-W483 VanDerWaalsContact O-CD1 3.22Å; Q481-W483 PolarHBondContact O-N 3.41Å; W483-L491 HydrophobicContact CE3-CB 4.03Å; W483-L491 HydrophobicContact CZ3-CB 4.16Å; W483-I492 CarbonylContact C-O 3.52Å; W483-I492 WeakPolarHBondContact CA-O 3.23Å; W483-L493 HydrophobicContact CD2-CB 4.26Å; W483-L493 HydrophobicContact CD2-CD1 3.78Å; W483-L493 VanDerWaalsContact CE2-CD1 3.46Å; W483-L493 HydrophobicContact CE3-CB 3.88Å; W483-L493 HydrophobicContact CE3-CD1 4.29Å; W483-L493 HydrophobicContact CG-CD1 4.19Å; W483-L493 HydrophobicContact CH2-CB 3.88Å; W483-L493 HydrophobicContact CH2-CD1 4.29Å; W483-L493 HydrophobicContact CH2-CG 4.45Å; W483-L493 HydrophobicContact CZ2-CB 4.23Å; W483-L493 HydrophobicContact CZ2-CD1 3.76Å; W483-L493 HydrophobicContact CZ2-CD2 4.4Å; W483-L493 HydrophobicContact CZ2-CG 4.35Å; W483-L493 HydrophobicContact CZ3-CB 3.68Å; W483-L499 HydrophobicContact CH2-CB 4.14Å; W483-L499 HydrophobicContact CH2-CD1 4.11Å; W483-L499 HydrophobicContact CZ3-CB 3.89Å; W483-L512 HydrophobicContact CH2-CD2 3.76Å; W483-L512 HydrophobicContact CZ3-CD2 4.32Å; W483-L568 HydrophobicContact CB-CD1 4.06Å
484	S	94.3	Very high	91.3	Very high	14 Å²	14	38.8 Å²	38.8	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.9	166.8	48.2	0	0	0	0	110.5	Q443 L491 I492	Q443-S484 WeakPolarHBondContact O-CA 3.48Å; S484-L491 CarbonylContact O-C 3.57Å; S484-L491 WeakPolarHBondContact O-CA 3.35Å; S484-I492 PolarHBondContact N-O 2.92Å; S484-I492 PolarHBondContact O-N 3.37Å; S484-I492 WeakPolarHBondContact OG-CB 3.44Å; S484-I492 PolarHBondContact OG-O 2.94Å
485	Y	93.9	Very high	91.1	Very high	30 Å²	30	39.6 Å²	39.6	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.7	175.3	-176.3	-110	0	0	0	109.4	L442 Q443 G489 Q490 L491 W524 L526	L442-Y485 HydrophobicContact CB-CD1 4.36Å; L442-Y485 HydrophobicContact CD1-CD1 4.35Å; L442-Y485 HydrophobicContact CD1-CE1 4.22Å; L442-Y485 PolarHBondContact N-O 2.8Å; Q443-Y485 PolarHBondContact N-O 2.88Å; Q443-Y485 VanDerWaalsContact N-O 3.11Å; Q443-Y485 PolarHBondContact O-N 3.29Å; Y485-G489 VanDerWaalsContact CE2-CA 3.46Å; Y485-Q490 WeakPolarHBondContact CA-O 3.42Å; Y485-L491 HydrophobicContact CD2-CD2 3.81Å; Y485-L491 HydrophobicContact CD2-CG 4.12Å; Y485-L491 HydrophobicContact CG-CD2 4.38Å; Y485-W524 WeakPolarHBondContact CE2-O 3.44Å; Y485-W524 PolarHBondContact OH-O 3.07Å; Y485-L526 HydrophobicContact CD1-CD1 3.63Å; Y485-L526 HydrophobicContact CD2-CD1 4Å; Y485-L526 HydrophobicContact CE1-CD1 3.83Å; Y485-L526 HydrophobicContact CE2-CD1 4.18Å; Y485-L526 HydrophobicContact CG-CD1 3.7Å
486	D	92.1	Very high	91.1	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	176.1	-175.1	70	20.8	0	0	0	114.3	P439 K440 D488 G489 Q490	P439-D486 HydrophobicContact CB-CB 3.93Å; K440-D486 CarbonylContact O-C 3.54Å; K440-D486 WeakPolarHBondContact O-CA 3.4Å; D486-D488 PolarHBondContact O-N 3.3Å; D486-D488 WeakPolarHBondContact OD1-CA 3.39Å; D486-D488 PolarHBondContact OD1-N 2.81Å; D486-G489 PolarHBondContact O-N 3.32Å; D486-G489 VanDerWaalsContact O-N 3.09Å; D486-G489 PolarHBondContact OD1-N 2.82Å; D486-Q490 PolarHBondContact N-O 2.95Å; D486-Q490 PolarHBondContact OD1-N 2.75Å; D486-Q490 WeakPolarHBondContact OD2-CB 3.45Å
487	E	89.4	Confident	91.7	Very high	73 Å²	73	33.8 Å²	33.8	34%	0.341	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.7	-179.2	69.3	-174.1	157	0	0	114.3	R437 P439 K440 L442 G489	R437-E487 IonicContact CZ-OE1 3.04Å; R437-E487 IonicContact CZ-OE2 3.27Å; R437-E487 IonicContact NE-OE1 2.79Å; R437-E487 PolarHBondContact NE-OE1 3.47Å; R437-E487 VanDerWaalsContact NH2-CD 3.3Å; R437-E487 IonicContact NH2-OE1 3.78Å; R437-E487 PolarHBondContact NH2-OE1 3.31Å; R437-E487 IonicContact NH2-OE2 2.66Å; R437-E487 PolarHBondContact NH2-OE2 2.81Å; P439-E487 HydrophobicContact CB-CG 3.97Å; K440-E487 HydrophobicContact CB-CG 4.34Å; K440-E487 PolarHBondContact N-OE1 2.73Å; K440-E487 PolarHBondContact O-N 3.27Å; L442-E487 HydrophobicContact CD1-CB 4.37Å; L442-E487 HydrophobicContact CD2-CB 4.22Å; L442-E487 HydrophobicContact CG-CB 4.28Å; E487-G489 VanDerWaalsContact C-N 3.31Å
488	D	86.6	Confident	92.3	Very high	78 Å²	78	30.6 Å²	30.6	42%	0.417	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.7	174.8	-69	-23.2	0	0	0	112	P439 D486 Q490	P439-D488 WeakPolarHBondContact CG-OD2 3.47Å; D486-D488 PolarHBondContact O-N 3.3Å; D486-D488 WeakPolarHBondContact OD1-CA 3.39Å; D486-D488 PolarHBondContact OD1-N 2.81Å; D488-Q490 HydrophobicContact CB-CG 4.3Å
489	G	90.9	Very high	92.7	Very high	4 Å²	4	29.2 Å²	29.2	4%	0.041	17%	0.173	C	C	.	.			trans	80.7	22	179.5	0	0	0	0	0	113.9	Y485 D486 E487 W524	Y485-G489 VanDerWaalsContact CE2-CA 3.46Å; D486-G489 PolarHBondContact O-N 3.32Å; D486-G489 VanDerWaalsContact O-N 3.09Å; D486-G489 PolarHBondContact OD1-N 2.82Å; E487-G489 VanDerWaalsContact C-N 3.31Å; G489-W524 WeakPolarHBondContact CA-O 3.38Å; G489-W524 WeakPolarHBondContact O-CA 3.35Å; G489-W524 PolarHBondContact O-N 3Å
490	Q	93.6	Very high	93	Very high	13 Å²	13	25.9 Å²	25.9	6%	0.061	15%	0.151	C	C	.	.			trans	-83.6	141.5	176.5	-46.3	-159.2	-87.6	0	0	110.9	Y485 D486 D488 I492	Y485-Q490 WeakPolarHBondContact CA-O 3.42Å; D486-Q490 PolarHBondContact N-O 2.95Å; D486-Q490 PolarHBondContact OD1-N 2.75Å; D486-Q490 WeakPolarHBondContact OD2-CB 3.45Å; D488-Q490 HydrophobicContact CB-CG 4.3Å; Q490-I492 HydrophobicContact CB-CG1 4.17Å
491	L	95.4	Very high	93	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	108.5	168.2	-80.1	174.8	0	0	0	109.6	L447 W483 S484 Y485 C498 L499 W524 L532	L447-L491 HydrophobicContact CD1-CD1 3.82Å; L447-L491 HydrophobicContact CD1-CD2 4Å; L447-L491 HydrophobicContact CD1-CG 4.49Å; W483-L491 HydrophobicContact CE3-CB 4.03Å; W483-L491 HydrophobicContact CZ3-CB 4.16Å; S484-L491 CarbonylContact O-C 3.57Å; S484-L491 WeakPolarHBondContact O-CA 3.35Å; Y485-L491 HydrophobicContact CD2-CD2 3.81Å; Y485-L491 HydrophobicContact CD2-CG 4.12Å; Y485-L491 HydrophobicContact CG-CD2 4.38Å; L491-C498 CarbonylContact O-C 3.56Å; L491-C498 VanDerWaalsContact O-CA 3.3Å; L491-C498 WeakPolarHBondContact O-CA 3.23Å; L491-L499 HydrophobicContact CB-CB 4.01Å; L491-L499 HydrophobicContact CD1-CD2 3.91Å; L491-L499 PolarHBondContact O-N 3.03Å; L491-W524 HydrophobicContact CD1-CB 4.26Å; L491-W524 HydrophobicContact CD1-CD2 4.35Å; L491-W524 HydrophobicContact CD1-CG 4.07Å; L491-W524 HydrophobicContact CG-CB 4.41Å; L491-W524 HydrophobicContact CG-CG 4.41Å; L491-L532 HydrophobicContact CD1-CD1 3.69Å; L491-L532 HydrophobicContact CD1-CD2 3.58Å; L491-L532 HydrophobicContact CD1-CG 4.17Å
492	I	95.2	Very high	92.6	Very high	26 Å²	26	24.1 Å²	24.1	13%	0.133	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118	-172.6	-48.2	164.3	0	0	0	109.2	W483 S484 Q490 L497	W483-I492 CarbonylContact C-O 3.52Å; W483-I492 WeakPolarHBondContact CA-O 3.23Å; S484-I492 PolarHBondContact N-O 2.92Å; S484-I492 PolarHBondContact O-N 3.37Å; S484-I492 WeakPolarHBondContact OG-CB 3.44Å; S484-I492 PolarHBondContact OG-O 2.94Å; Q490-I492 HydrophobicContact CB-CG1 4.17Å; I492-L497 CarbonylContact C-O 3.57Å; I492-L497 WeakPolarHBondContact CA-O 3.28Å
493	L	95.3	Very high	91.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.2	176.3	-174.5	71.6	0	0	0	110.8	A458 V462 E480 D482 W483 G495 L496 L497 L512	A458-L493 HydrophobicContact CB-CD2 3.74Å; V462-L493 HydrophobicContact CB-CD2 4.3Å; V462-L493 HydrophobicContact CG1-CD2 4Å; V462-L493 HydrophobicContact CG1-CG 4.36Å; E480-L493 WeakPolarHBondContact O-CD1 3.28Å; D482-L493 CarbonylContact O-C 3.58Å; D482-L493 WeakPolarHBondContact O-CA 3.39Å; D482-L493 WeakPolarHBondContact O-CD1 3.29Å; W483-L493 HydrophobicContact CD2-CB 4.26Å; W483-L493 HydrophobicContact CD2-CD1 3.78Å; W483-L493 VanDerWaalsContact CE2-CD1 3.46Å; W483-L493 HydrophobicContact CE3-CB 3.88Å; W483-L493 HydrophobicContact CE3-CD1 4.29Å; W483-L493 HydrophobicContact CG-CD1 4.19Å; W483-L493 HydrophobicContact CH2-CB 3.88Å; W483-L493 HydrophobicContact CH2-CD1 4.29Å; W483-L493 HydrophobicContact CH2-CG 4.45Å; W483-L493 HydrophobicContact CZ2-CB 4.23Å; W483-L493 HydrophobicContact CZ2-CD1 3.76Å; W483-L493 HydrophobicContact CZ2-CD2 4.4Å; W483-L493 HydrophobicContact CZ2-CG 4.35Å; W483-L493 HydrophobicContact CZ3-CB 3.68Å; L493-G495 PolarHBondContact O-N 2.83Å; L493-L496 PolarHBondContact O-N 2.89Å; L493-L497 PolarHBondContact N-O 2.88Å; L493-L497 PolarHBondContact O-N 2.83Å; L493-L512 HydrophobicContact CB-CD2 4.14Å; L493-L512 HydrophobicContact CD2-CD1 3.63Å; L493-L512 HydrophobicContact CD2-CD2 4.07Å
494	A	91.4	Very high	90.1	Very high	28 Å²	28	31 Å²	31	23%	0.231	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	23.9	178.9	0	0	0	0	0	114.1	V462 D482 L496	V462-A494 HydrophobicContact CB-CB 4.18Å; V462-A494 HydrophobicContact CG1-CB 4.23Å; V462-A494 HydrophobicContact CG2-CB 4.33Å; D482-A494 PolarHBondContact O-N 2.85Å; A494-L496 HydrophobicContact CB-CD1 4.45Å; A494-L496 PolarHBondContact O-N 3.24Å
495	G	89.4	Confident	88.8	Confident	59 Å²	59	38.1 Å²	38.1	61%	0.608	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	14.8	-172.7	0	0	0	0	0	115	L493	L493-G495 PolarHBondContact O-N 2.83Å
496	L	91.9	Very high	87.5	Confident	93 Å²	93	38 Å²	38	49%	0.487	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-58.6	-171.7	-66.6	175.2	0	0	0	114	V462 L493 A494	V462-L496 HydrophobicContact CB-CD1 4.41Å; V462-L496 HydrophobicContact CG2-CD1 3.74Å; L493-L496 PolarHBondContact O-N 2.89Å; A494-L496 HydrophobicContact CB-CD1 4.45Å; A494-L496 PolarHBondContact O-N 3.24Å
497	L	95.4	Very high	86.5	Confident	12 Å²	12	42.8 Å²	42.8	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.5	-172.5	-63.3	-174.3	0	0	0	110.9	V462 I492 L493 L512 M513 K514	V462-L497 VanDerWaalsContact O-CD1 3.28Å; V462-L497 WeakPolarHBondContact O-CD1 3.44Å; V462-L497 WeakPolarHBondContact O-CG 3.39Å; I492-L497 CarbonylContact C-O 3.57Å; I492-L497 WeakPolarHBondContact CA-O 3.28Å; L493-L497 PolarHBondContact N-O 2.88Å; L493-L497 PolarHBondContact O-N 2.83Å; L497-L512 HydrophobicContact CB-CB 4.02Å; L497-L512 HydrophobicContact CB-CD2 4.44Å; L497-L512 HydrophobicContact CD1-CB 3.78Å; L497-M513 CarbonylContact C-O 3.46Å; L497-M513 WeakPolarHBondContact CA-O 3.4Å; L497-M513 WeakPolarHBondContact CB-O 3.23Å; L497-K514 HydrophobicContact CD2-CG 4.38Å
498	C	95.8	Very high	86.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.2	178.7	-78.1	0	0	0	0	111.1	L491 D500 L512 M513 C515 Q522	L491-C498 CarbonylContact O-C 3.56Å; L491-C498 VanDerWaalsContact O-CA 3.3Å; L491-C498 WeakPolarHBondContact O-CA 3.23Å; C498-D500 PolarHBondContact O-N 2.87Å; C498-L512 WeakPolarHBondContact O-CA 3.32Å; C498-M513 PolarHBondContact N-O 3.22Å; C498-M513 PolarHBondContact O-N 2.83Å; C498-C515 HydrophobicContact CB-CB 4.06Å; C498-C515 WeakPolarHBondContact CB-SG 3.39Å; C498-C515 PolarHBondContact N-SG 2.86Å; C498-C515 VanDerWaalsContact SG-CA 3.51Å; C498-C515 WeakPolarHBondContact SG-CB 3.21Å; C498-C515 CovalentContact SG-SG 2.04Å; C498-C515 PolarHBondContact SG-SG 2.91Å; C498-Q522 HydrophobicContact CB-CG 4.26Å
499	L	95.9	Very high	86	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	123.8	168.3	-169.3	65.9	0	0	0	109.5	L456 V469 W483 L491 P510 W524 L532	L456-L499 HydrophobicContact CD2-CD2 4.23Å; V469-L499 HydrophobicContact CG1-CD1 3.98Å; V469-L499 HydrophobicContact CG2-CD1 3.82Å; W483-L499 HydrophobicContact CH2-CB 4.14Å; W483-L499 HydrophobicContact CH2-CD1 4.11Å; W483-L499 HydrophobicContact CZ3-CB 3.89Å; L491-L499 HydrophobicContact CB-CB 4.01Å; L491-L499 HydrophobicContact CD1-CD2 3.91Å; L491-L499 PolarHBondContact O-N 3.03Å; L499-P510 HydrophobicContact CD1-CB 3.76Å; L499-P510 HydrophobicContact CG-CB 4.33Å; L499-W524 HydrophobicContact CB-CZ2 4.28Å; L499-W524 HydrophobicContact CD2-CD2 4.32Å; L499-W524 HydrophobicContact CD2-CH2 3.86Å; L499-W524 HydrophobicContact CD2-CZ2 3.48Å; L499-W524 VanDerWaalsContact CD2-CZ2 3.48Å; L499-W524 HydrophobicContact CD2-CZ3 4.43Å; L499-W524 HydrophobicContact CG-CH2 4.27Å; L499-W524 HydrophobicContact CG-CZ2 3.51Å; L499-W524 PolarHBondContact O-NE1 3.46Å; L499-L532 HydrophobicContact CD2-CD2 4.47Å
500	D	93.8	Very high	86.1	Confident	8 Å²	8	41 Å²	41	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.9	-172	-178.1	-94.4	0	0	0	110.5	C498 P510 R511 M513 S521 Q522	C498-D500 PolarHBondContact O-N 2.87Å; D500-P510 WeakPolarHBondContact O-CA 3.4Å; D500-R511 HydrophobicContact CB-CG 4.45Å; D500-R511 PolarHBondContact N-O 3.36Å; D500-R511 PolarHBondContact O-N 3.44Å; D500-R511 IonicContact OD1-CZ 3.39Å; D500-R511 IonicContact OD1-NE 3.22Å; D500-R511 PolarHBondContact OD1-NE 3.17Å; D500-R511 IonicContact OD1-NH2 2.86Å; D500-R511 PolarHBondContact OD1-NH2 2.79Å; D500-M513 HydrophobicContact CB-CB 3.8Å; D500-M513 HydrophobicContact CB-CG 3.69Å; D500-S521 WeakPolarHBondContact OD2-CB 3.3Å; D500-S521 PolarHBondContact OD2-OG 2.94Å; D500-Q522 HydrophobicContact CB-CG 3.99Å; D500-Q522 VanDerWaalsContact OD2-CG 3.25Å; D500-Q522 WeakPolarHBondContact OD2-CG 3.03Å
501	V	91.3	Very high	86.1	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	25%	0.249	C	C	.	.			trans	-120	143.4	172.8	-179.4	0	0	0	0	110.5	E503 P510 S521 W524 Q534 V537 M555	V501-E503 PolarHBondContact O-N 2.81Å; V501-P510 HydrophobicContact CG2-CB 4.19Å; V501-P510 HydrophobicContact CG2-CG 4.2Å; V501-S521 PolarHBondContact N-O 3.12Å; V501-S521 VanDerWaalsContact N-O 3.16Å; V501-S521 WeakPolarHBondContact O-CB 3.12Å; V501-W524 HydrophobicContact CG2-CH2 3.6Å; V501-W524 HydrophobicContact CG2-CZ2 3.61Å; V501-Q534 HydrophobicContact CB-CG 4.25Å; V501-Q534 HydrophobicContact CG2-CG 3.89Å; V501-V537 HydrophobicContact CB-CG1 4.48Å; V501-V537 HydrophobicContact CG1-CG1 3.74Å; V501-V537 HydrophobicContact CG1-CG2 4.17Å; V501-M555 HydrophobicContact CG1-CG 3.94Å; V501-M555 HydrophobicContact CG2-CG 4.08Å; V501-M555 HydrophobicContact CG2-SD 3.9Å
502	S	83.3	Confident	86.1	Confident	14 Å²	14	43.4 Å²	43.4	10%	0.098	25%	0.249	C	C	.	.			trans	-66.1	115.8	173.6	-154.2	0	0	0	0	111	V504 R505 D508	S502-V504 VanDerWaalsContact C-N 3.26Å; S502-V504 PolarHBondContact O-N 2.89Å; S502-R505 CarbonylContact O-C 3.57Å; S502-D508 WeakPolarHBondContact CB-OD2 3.49Å; S502-D508 PolarHBondContact OG-OD2 3.28Å
503	E	71.1	Confident	86	Confident	60 Å²	60	44.1 Å²	44.1	28%	0.28	25%	0.253	S	S	.	.	S	Bend	trans	-74.9	-19.7	177.9	-56.9	-178.2	137.5	0	0	112.9	K345 V501 S521 S536	K345-E503 WeakPolarHBondContact CE-OE2 3.41Å; K345-E503 IonicContact NZ-OE1 3.8Å; K345-E503 PolarHBondContact NZ-OE1 2.88Å; K345-E503 IonicContact NZ-OE2 3.43Å; K345-E503 PolarHBondContact NZ-OE2 2.84Å; V501-E503 PolarHBondContact O-N 2.81Å; E503-S521 PolarHBondContact OE1-N 3.01Å; E503-S521 VanDerWaalsContact OE1-N 3.1Å; E503-S536 WeakPolarHBondContact OE1-CB 3.47Å; E503-S536 PolarHBondContact OE1-OG 2.84Å
504	V	65.9	Low	85.9	Confident	136 Å²	136	51.3 Å²	51.3	82%	0.824	28%	0.284	S	S	*	.	S	Bend	trans	-85.9	-32.9	-178	-176.9	0	0	0	0	111.4	S502	S502-V504 VanDerWaalsContact C-N 3.26Å; S502-V504 PolarHBondContact O-N 2.89Å
505	R	67.6	Low	85.8	Confident	162 Å²	162	52.3 Å²	52.3	61%	0.611	29%	0.289	S	S	*	.			trans	-128.6	91.2	-177.6	-66.1	-179.7	-177	-141.1	-1.2	107.9	S502 S507 D508	S502-R505 CarbonylContact O-C 3.57Å; R505-S507 PolarHBondContact O-N 2.9Å; R505-S507 VanDerWaalsContact O-N 3.11Å; R505-D508 HydrophobicContact CB-CB 4.29Å; R505-D508 VanDerWaalsContact CB-CG 3.41Å; R505-D508 WeakPolarHBondContact CB-OD1 3.43Å; R505-D508 WeakPolarHBondContact CB-OD2 3.12Å; R505-D508 WeakPolarHBondContact CD-OD1 3.18Å; R505-D508 WeakPolarHBondContact O-CB 3.48Å; R505-D508 PolarHBondContact O-N 2.82Å
506	T	66.2	Low	85.6	Confident	27 Å²	27	53.6 Å²	53.6	17%	0.166	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.7	179.7	47.1	0	0	0	0	113.1	V537 Q539	T506-V537 HydrophobicContact CG2-CB 4.23Å; T506-V537 HydrophobicContact CG2-CG1 4.11Å; T506-Q539 PolarHBondContact O-OE1 2.91Å
507	S	71.9	Confident	85	Confident	105 Å²	105	51.3 Å²	51.3	73%	0.734	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11	173.1	56.6	0	0	0	0	114.7	R505	R505-S507 PolarHBondContact O-N 2.9Å; R505-S507 VanDerWaalsContact O-N 3.11Å
508	D	80.1	Confident	84	Confident	42 Å²	42	55.3 Å²	55.3	23%	0.225	31%	0.307	C	S	.	.	S	Bend	trans	-67.6	135.5	176.7	-73	-9.1	0	0	0	109.5	S502 R505	S502-D508 WeakPolarHBondContact CB-OD2 3.49Å; S502-D508 PolarHBondContact OG-OD2 3.28Å; R505-D508 HydrophobicContact CB-CB 4.29Å; R505-D508 VanDerWaalsContact CB-CG 3.41Å; R505-D508 WeakPolarHBondContact CB-OD1 3.43Å; R505-D508 WeakPolarHBondContact CB-OD2 3.12Å; R505-D508 WeakPolarHBondContact CD-OD1 3.18Å; R505-D508 WeakPolarHBondContact O-CB 3.48Å; R505-D508 PolarHBondContact O-N 2.82Å
509	P	85.5	Confident	83.4	Confident	73 Å²	73	56.2 Å²	56.2	47%	0.474	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-67.3	154.1	175.6	28.9	-34.5	0	0	0	111.1
510	P	92.4	Very high	82.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-57.3	147.5	173	-20.7	29.9	0	0	0	112.5	V469 L499 D500 V501 W524 L541 V553 M555	V469-P510 HydrophobicContact CG2-CB 3.97Å; L499-P510 HydrophobicContact CD1-CB 3.76Å; L499-P510 HydrophobicContact CG-CB 4.33Å; D500-P510 WeakPolarHBondContact O-CA 3.4Å; V501-P510 HydrophobicContact CG2-CB 4.19Å; V501-P510 HydrophobicContact CG2-CG 4.2Å; P510-W524 HydrophobicContact CG-CH2 4.49Å; P510-L541 HydrophobicContact CG-CD1 3.56Å; P510-V553 HydrophobicContact CG-CG2 4.49Å; P510-M555 HydrophobicContact CG-CG 4.31Å; P510-M555 HydrophobicContact CG-SD 3.76Å
511	R	92.9	Very high	82.6	Confident	63 Å²	63	57.1 Å²	57.1	24%	0.238	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.7	-175.9	59.5	177	179.7	-113.9	-9.3	111.5	G467 D500 M513	G467-R511 CarbonylContact O-C 3.55Å; G467-R511 WeakPolarHBondContact O-CA 3.39Å; D500-R511 HydrophobicContact CB-CG 4.45Å; D500-R511 PolarHBondContact N-O 3.36Å; D500-R511 PolarHBondContact O-N 3.44Å; D500-R511 IonicContact OD1-CZ 3.39Å; D500-R511 IonicContact OD1-NE 3.22Å; D500-R511 PolarHBondContact OD1-NE 3.17Å; D500-R511 IonicContact OD1-NH2 2.86Å; D500-R511 PolarHBondContact OD1-NH2 2.79Å; R511-M513 HydrophobicContact CG-CG 4.05Å
512	L	95	Very high	82.7	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.8	176	-64.3	173.5	0	0	0	110.9	A458 G466 G467 V469 W483 L493 L497 C498	A458-L512 HydrophobicContact CB-CD1 3.72Å; G466-L512 WeakPolarHBondContact CA-O 3.31Å; G466-L512 PolarHBondContact N-O 3.02Å; G467-L512 PolarHBondContact O-N 2.84Å; V469-L512 HydrophobicContact CG1-CD1 4.43Å; V469-L512 HydrophobicContact CG1-CD2 4.08Å; V469-L512 HydrophobicContact CG1-CG 4.01Å; W483-L512 HydrophobicContact CH2-CD2 3.76Å; W483-L512 HydrophobicContact CZ3-CD2 4.32Å; L493-L512 HydrophobicContact CB-CD2 4.14Å; L493-L512 HydrophobicContact CD2-CD1 3.63Å; L493-L512 HydrophobicContact CD2-CD2 4.07Å; L497-L512 HydrophobicContact CB-CB 4.02Å; L497-L512 HydrophobicContact CB-CD2 4.44Å; L497-L512 HydrophobicContact CD1-CB 3.78Å; C498-L512 WeakPolarHBondContact O-CA 3.32Å
513	M	94.8	Very high	83.1	Confident	42 Å²	42	59.4 Å²	59.4	21%	0.207	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	166.6	179.6	-66.4	-63.9	-80	0	0	111.1	K465 L497 C498 D500 R511 C515	K465-M513 HydrophobicContact CG-CE 4.38Å; K465-M513 HydrophobicContact CG-SD 3.8Å; L497-M513 CarbonylContact C-O 3.46Å; L497-M513 WeakPolarHBondContact CA-O 3.4Å; L497-M513 WeakPolarHBondContact CB-O 3.23Å; C498-M513 PolarHBondContact N-O 3.22Å; C498-M513 PolarHBondContact O-N 2.83Å; D500-M513 HydrophobicContact CB-CB 3.8Å; D500-M513 HydrophobicContact CB-CG 3.69Å; R511-M513 HydrophobicContact CG-CG 4.05Å; M513-C515 PolarHBondContact O-N 3.23Å
514	K	93.1	Very high	84.1	Confident	150 Å²	150	56.7 Å²	56.7	65%	0.652	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	131.9	172.7	-72.3	-169.6	175.4	-172.9	0	109.1	L497 H516 Q522	L497-K514 HydrophobicContact CD2-CG 4.38Å; K514-H516 PolarHBondContact O-N 2.87Å; K514-Q522 PolarHBondContact O-NE2 2.9Å
515	C	89	Confident	85.2	Confident	50 Å²	50	51.2 Å²	51.2	34%	0.338	29%	0.289	S	S	.	.			trans	-62.1	124.8	173.4	-61.3	0	0	0	0	110	C498 M513	C498-C515 HydrophobicContact CB-CB 4.06Å; C498-C515 WeakPolarHBondContact CB-SG 3.39Å; C498-C515 PolarHBondContact N-SG 2.86Å; C498-C515 VanDerWaalsContact SG-CA 3.51Å; C498-C515 WeakPolarHBondContact SG-CB 3.21Å; C498-C515 CovalentContact SG-SG 2.04Å; C498-C515 PolarHBondContact SG-SG 2.91Å; M513-C515 PolarHBondContact O-N 3.23Å
516	H	84.4	Confident	86.1	Confident	85 Å²	85	45.6 Å²	45.6	39%	0.394	27%	0.271	S	S	.	.			trans	-116.6	-7.8	-179.9	60.5	75.3	0	0	0	113.9	K514 S518 S521 Q522	K514-H516 PolarHBondContact O-N 2.87Å; H516-S518 VanDerWaalsContact ND1-CB 3.25Å; H516-S518 WeakPolarHBondContact ND1-CB 3.44Å; H516-S518 PolarHBondContact ND1-N 3.48Å; H516-S518 PolarHBondContact ND1-OG 2.94Å; H516-S518 PolarHBondContact O-N 2.92Å; H516-S518 VanDerWaalsContact O-N 3.12Å; H516-S518 PolarHBondContact O-OG 2.88Å; H516-S521 PolarHBondContact NE2-OG 3.11Å; H516-Q522 PolarHBondContact CD2-NE2 3.49Å; H516-Q522 PolarHBondContact CD2-OE1 2.98Å; H516-Q522 WeakPolarHBondContact NE2-CG 3.26Å; H516-Q522 PolarHBondContact NE2-NE2 3.42Å; H516-Q522 PolarHBondContact NE2-OE1 3.27Å
517	G	79.8	Confident	86.2	Confident	46 Å²	46	45 Å²	45	47%	0.474	27%	0.27	S	S	.	.			trans	62.1	21.6	172.5	0	0	0	0	0	114.5
518	S	74.4	Confident	86	Confident	95 Å²	95	50 Å²	50	66%	0.664	28%	0.279	S	S	*	.			trans	-99.4	6.7	-176.9	-36.7	0	0	0	0	113.1	H516	H516-S518 VanDerWaalsContact ND1-CB 3.25Å; H516-S518 WeakPolarHBondContact ND1-CB 3.44Å; H516-S518 PolarHBondContact ND1-N 3.48Å; H516-S518 PolarHBondContact ND1-OG 2.94Å; H516-S518 PolarHBondContact O-N 2.92Å; H516-S518 VanDerWaalsContact O-N 3.12Å; H516-S518 PolarHBondContact O-OG 2.88Å
519	G	82.9	Confident	85.7	Confident	20 Å²	20	50.3 Å²	50.3	21%	0.206	29%	0.287	C	S	.	.	S	Bend	trans	63.9	-154.1	-170.8	0	0	0	0	0	112.6	S521	G519-S521 PolarHBondContact O-N 2.92Å
520	G	85.1	Confident	85.7	Confident	12 Å²	12	50.3 Å²	50.3	12%	0.124	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	68.1	-114.2	176.3	0	0	0	0	0	112.6	Q522 Q523 Q534 S536	G520-Q522 PolarHBondContact O-N 2.8Å; G520-Q522 VanDerWaalsContact O-N 3.13Å; G520-Q523 PolarHBondContact O-N 2.85Å; G520-Q534 PolarHBondContact O-NE2 3.44Å; G520-Q534 VanDerWaalsContact O-NE2 3.08Å; G520-S536 VanDerWaalsContact C-OG 3.32Å; G520-S536 PolarHBondContact O-OG 2.94Å
521	S	88.4	Confident	85.6	Confident	14 Å²	14	51.9 Å²	51.9	10%	0.098	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-55.9	-26.5	-177.9	68.5	0	0	0	0	115.1	D500 V501 E503 H516 G519 Q534 S536	D500-S521 WeakPolarHBondContact OD2-CB 3.3Å; D500-S521 PolarHBondContact OD2-OG 2.94Å; V501-S521 PolarHBondContact N-O 3.12Å; V501-S521 VanDerWaalsContact N-O 3.16Å; V501-S521 WeakPolarHBondContact O-CB 3.12Å; E503-S521 PolarHBondContact OE1-N 3.01Å; E503-S521 VanDerWaalsContact OE1-N 3.1Å; H516-S521 PolarHBondContact NE2-OG 3.11Å; G519-S521 PolarHBondContact O-N 2.92Å; S521-Q534 PolarHBondContact O-NE2 3.3Å; S521-S536 WeakPolarHBondContact CA-OG 3.46Å; S521-S536 PolarHBondContact N-OG 2.95Å
522	Q	92.4	Very high	85.6	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-107.4	6.9	179.6	-65.3	-174.3	-9.2	0	0	113.7	C498 D500 K514 H516 G520	C498-Q522 HydrophobicContact CB-CG 4.26Å; D500-Q522 HydrophobicContact CB-CG 3.99Å; D500-Q522 VanDerWaalsContact OD2-CG 3.25Å; D500-Q522 WeakPolarHBondContact OD2-CG 3.03Å; K514-Q522 PolarHBondContact O-NE2 2.9Å; H516-Q522 PolarHBondContact CD2-NE2 3.49Å; H516-Q522 PolarHBondContact CD2-OE1 2.98Å; H516-Q522 WeakPolarHBondContact NE2-CG 3.26Å; H516-Q522 PolarHBondContact NE2-NE2 3.42Å; H516-Q522 PolarHBondContact NE2-OE1 3.27Å; G520-Q522 PolarHBondContact O-N 2.8Å; G520-Q522 VanDerWaalsContact O-N 3.13Å
523	Q	91.3	Very high	85.5	Confident	63 Å²	63	48.9 Å²	48.9	29%	0.294	28%	0.277	S	S	.	.			trans	-93.4	127.8	178.1	-162.7	174.6	9.2	0	0	110	G520 V535	G520-Q523 PolarHBondContact O-N 2.85Å; Q523-V535 HydrophobicContact CB-CB 4.39Å; Q523-V535 HydrophobicContact CB-CG2 3.9Å; Q523-V535 HydrophobicContact CG-CB 4.49Å; Q523-V535 HydrophobicContact CG-CG2 3.69Å; Q523-V535 WeakPolarHBondContact O-CG2 3.28Å; Q523-V535 PolarHBondContact O-N 3.46Å
524	W	92.4	Very high	85.3	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.9	-179.5	-61.1	86.5	0	0	0	110.1	Y485 G489 L491 L499 V501 P510 L532 Y533 Q534 L541 M555	Y485-W524 WeakPolarHBondContact CE2-O 3.44Å; Y485-W524 PolarHBondContact OH-O 3.07Å; G489-W524 WeakPolarHBondContact CA-O 3.38Å; G489-W524 WeakPolarHBondContact O-CA 3.35Å; G489-W524 PolarHBondContact O-N 3Å; L491-W524 HydrophobicContact CD1-CB 4.26Å; L491-W524 HydrophobicContact CD1-CD2 4.35Å; L491-W524 HydrophobicContact CD1-CG 4.07Å; L491-W524 HydrophobicContact CG-CB 4.41Å; L491-W524 HydrophobicContact CG-CG 4.41Å; L499-W524 HydrophobicContact CB-CZ2 4.28Å; L499-W524 HydrophobicContact CD2-CD2 4.32Å; L499-W524 HydrophobicContact CD2-CH2 3.86Å; L499-W524 HydrophobicContact CD2-CZ2 3.48Å; L499-W524 VanDerWaalsContact CD2-CZ2 3.48Å; L499-W524 HydrophobicContact CD2-CZ3 4.43Å; L499-W524 HydrophobicContact CG-CH2 4.27Å; L499-W524 HydrophobicContact CG-CZ2 3.51Å; L499-W524 PolarHBondContact O-NE1 3.46Å; V501-W524 HydrophobicContact CG2-CH2 3.6Å; V501-W524 HydrophobicContact CG2-CZ2 3.61Å; P510-W524 HydrophobicContact CG-CH2 4.49Å; W524-L532 HydrophobicContact CB-CD1 4.25Å; W524-L532 HydrophobicContact CE3-CD1 4.4Å; W524-L532 HydrophobicContact CE3-CD2 4.04Å; W524-L532 HydrophobicContact CE3-CG 3.73Å; W524-L532 HydrophobicContact CZ3-CD2 4.23Å; W524-L532 HydrophobicContact CZ3-CG 4.22Å; W524-Y533 CarbonylContact C-O 3.49Å; W524-Y533 VanDerWaalsContact CA-O 3.31Å; W524-Y533 WeakPolarHBondContact CA-O 3.46Å; W524-Q534 HydrophobicContact CD2-CB 4.31Å; W524-Q534 HydrophobicContact CD2-CG 4Å; W524-Q534 HydrophobicContact CE3-CB 3.72Å; W524-Q534 HydrophobicContact CE3-CG 3.9Å; W524-Q534 HydrophobicContact CH2-CB 3.92Å; W524-Q534 HydrophobicContact CH2-CG 3.7Å; W524-Q534 HydrophobicContact CZ2-CB 4.43Å; W524-Q534 HydrophobicContact CZ2-CG 3.73Å; W524-Q534 HydrophobicContact CZ3-CB 3.54Å; W524-Q534 HydrophobicContact CZ3-CG 3.78Å; W524-L541 HydrophobicContact CZ3-CB 4.31Å; W524-M555 HydrophobicContact CH2-CE 4.23Å; W524-M555 HydrophobicContact CH2-SD 3.87Å; W524-M555 HydrophobicContact CZ3-CE 4.07Å; W524-M555 HydrophobicContact CZ3-SD 4.2Å
525	S	90.1	Very high	85.1	Confident	21 Å²	21	40.6 Å²	40.6	15%	0.147	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124	172.4	-173.4	0	0	0	0	109.4	G527 Y533	S525-G527 PolarHBondContact O-N 3.01Å; S525-Y533 PolarHBondContact N-O 3.47Å; S525-Y533 PolarHBondContact O-N 3.39Å
526	L	85.4	Confident	84.8	Confident	45 Å²	45	38.3 Å²	38.3	24%	0.236	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	91.5	165.1	-75.6	155.1	0	0	0	107.2	Y485 L532	Y485-L526 HydrophobicContact CD1-CD1 3.63Å; Y485-L526 HydrophobicContact CD2-CD1 4Å; Y485-L526 HydrophobicContact CE1-CD1 3.83Å; Y485-L526 HydrophobicContact CE2-CD1 4.18Å; Y485-L526 HydrophobicContact CG-CD1 3.7Å; L526-L532 HydrophobicContact CD2-CD1 3.81Å; L526-L532 HydrophobicContact CG-CD1 4.03Å
527	G	69.1	Low	84.9	Confident	13 Å²	13	34.2 Å²	34.2	13%	0.134	21%	0.207	C	C	.	.			trans	-69.2	166.9	-174.5	0	0	0	0	0	113.4	S525 A529 N530 R531	S525-G527 PolarHBondContact O-N 3.01Å; G527-A529 PolarHBondContact O-N 3.12Å; G527-N530 PolarHBondContact O-N 3.01Å; G527-R531 PolarHBondContact N-O 3.27Å
528	K	67.9	Low	85.4	Confident	212 Å²	212	32 Å²	32	92%	0.922	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-9.6	-177.7	-67.6	-177.6	179.2	177.8	0	115.3
529	A	73.8	Confident	86.2	Confident	48 Å²	48	28 Å²	28	40%	0.397	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	29	-177.7	0	0	0	0	0	112.9	G527 R531	G527-A529 PolarHBondContact O-N 3.12Å; A529-R531 HydrophobicContact CB-CG 4.38Å; A529-R531 PolarHBondContact O-N 3.02Å; A529-R531 VanDerWaalsContact O-N 3.08Å
530	N	85.9	Confident	86.7	Confident	73 Å²	73	27 Å²	27	39%	0.39	15%	0.145	S	C	.	.	S	Bend	trans	57.1	23.5	-175.8	-63.6	-24.2	0	0	0	113.2	G527 Q565 W566	G527-N530 PolarHBondContact O-N 3.01Å; N530-Q565 HydrophobicContact CB-CB 4.46Å; N530-Q565 CarbonylContact O-C 3.54Å; N530-Q565 WeakPolarHBondContact O-CA 3.31Å; N530-W566 WeakPolarHBondContact CB-O 3.24Å; N530-W566 PolarHBondContact O-N 2.8Å
531	R	89.8	Confident	87.1	Confident	33 Å²	33	26.5 Å²	26.5	13%	0.125	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-86.6	132.7	176.2	-67.9	179	-68.2	-172	0.7	108.7	E60 G527 A529 Y533	E60-R531 IonicContact OE1-NH2 2.73Å; E60-R531 PolarHBondContact OE1-NH2 3.22Å; E60-R531 VanDerWaalsContact OE1-NH2 3.13Å; G527-R531 PolarHBondContact N-O 3.27Å; A529-R531 HydrophobicContact CB-CG 4.38Å; A529-R531 PolarHBondContact O-N 3.02Å; A529-R531 VanDerWaalsContact O-N 3.08Å; R531-Y533 PolarHBondContact O-N 2.04Å
532	L	92.4	Very high	87.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	95.6	171.2	-169.3	69.9	0	0	0	108.9	L491 L499 W524 L526 C540 L541 W566	L491-L532 HydrophobicContact CD1-CD1 3.69Å; L491-L532 HydrophobicContact CD1-CD2 3.58Å; L491-L532 HydrophobicContact CD1-CG 4.17Å; L499-L532 HydrophobicContact CD2-CD2 4.47Å; W524-L532 HydrophobicContact CB-CD1 4.25Å; W524-L532 HydrophobicContact CE3-CD1 4.4Å; W524-L532 HydrophobicContact CE3-CD2 4.04Å; W524-L532 HydrophobicContact CE3-CG 3.73Å; W524-L532 HydrophobicContact CZ3-CD2 4.23Å; W524-L532 HydrophobicContact CZ3-CG 4.22Å; L526-L532 HydrophobicContact CD2-CD1 3.81Å; L526-L532 HydrophobicContact CG-CD1 4.03Å; L532-C540 WeakPolarHBondContact O-CA 3.33Å; L532-L541 HydrophobicContact CB-CB 4.16Å; L532-L541 HydrophobicContact CD2-CB 4.17Å; L532-L541 HydrophobicContact CD2-CD2 3.66Å; L532-L541 PolarHBondContact O-N 3.09Å; L532-W566 HydrophobicContact CB-CB 4.33Å; L532-W566 HydrophobicContact CB-CG 4.17Å
533	Y	92.1	Very high	87.3	Confident	1 Å²	1	26.4 Å²	26.4	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.7	-174.2	167.7	-110.6	0	0	0	111.2	P59 G62 M63 W524 S525 R531 V535 G538	P59-Y533 WeakPolarHBondContact O-CE1 3.3Å; G62-Y533 VanDerWaalsContact CA-OH 3.27Å; G62-Y533 WeakPolarHBondContact CA-OH 3.4Å; G62-Y533 PolarHBondContact O-OH 3.27Å; M63-Y533 HydrophobicContact CB-CD2 4.32Å; M63-Y533 HydrophobicContact CB-CE2 3.86Å; M63-Y533 HydrophobicContact CE-CD1 4.3Å; M63-Y533 HydrophobicContact CE-CD2 3.7Å; M63-Y533 HydrophobicContact CE-CE2 4.32Å; M63-Y533 HydrophobicContact CE-CG 3.68Å; M63-Y533 HydrophobicContact CG-CD2 4.05Å; M63-Y533 HydrophobicContact CG-CE2 4.02Å; M63-Y533 PolarHBondContact N-OH 2.85Å; W524-Y533 CarbonylContact C-O 3.49Å; W524-Y533 VanDerWaalsContact CA-O 3.31Å; W524-Y533 WeakPolarHBondContact CA-O 3.46Å; S525-Y533 PolarHBondContact N-O 3.47Å; S525-Y533 PolarHBondContact O-N 3.39Å; R531-Y533 PolarHBondContact O-N 2.04Å; Y533-V535 HydrophobicContact CD1-CG2 4.38Å; Y533-V535 HydrophobicContact CE1-CB 4.13Å; Y533-V535 HydrophobicContact CE1-CG1 3.99Å; Y533-V535 HydrophobicContact CE1-CG2 4.13Å; Y533-G538 VanDerWaalsContact CE2-C 3.42Å
534	Q	92.2	Very high	87	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123	176.2	-155.6	-72.5	-6.1	0	0	109.7	V501 G520 S521 W524 S536 V537 G538 Q539 M555	V501-Q534 HydrophobicContact CB-CG 4.25Å; V501-Q534 HydrophobicContact CG2-CG 3.89Å; G520-Q534 PolarHBondContact O-NE2 3.44Å; G520-Q534 VanDerWaalsContact O-NE2 3.08Å; S521-Q534 PolarHBondContact O-NE2 3.3Å; W524-Q534 HydrophobicContact CD2-CB 4.31Å; W524-Q534 HydrophobicContact CD2-CG 4Å; W524-Q534 HydrophobicContact CE3-CB 3.72Å; W524-Q534 HydrophobicContact CE3-CG 3.9Å; W524-Q534 HydrophobicContact CH2-CB 3.92Å; W524-Q534 HydrophobicContact CH2-CG 3.7Å; W524-Q534 HydrophobicContact CZ2-CB 4.43Å; W524-Q534 HydrophobicContact CZ2-CG 3.73Å; W524-Q534 HydrophobicContact CZ3-CB 3.54Å; W524-Q534 HydrophobicContact CZ3-CG 3.78Å; Q534-S536 PolarHBondContact NE2-OG 2.84Å; Q534-S536 PolarHBondContact OE1-OG 3.05Å; Q534-V537 HydrophobicContact CB-CG2 3.74Å; Q534-V537 HydrophobicContact CG-CG2 4.07Å; Q534-V537 VanDerWaalsContact OE1-CG2 3.3Å; Q534-G538 PolarHBondContact O-N 3.21Å; Q534-Q539 PolarHBondContact N-O 2.84Å; Q534-M555 HydrophobicContact CB-CE 3.56Å; Q534-M555 HydrophobicContact CG-CE 4.45Å
535	V	87.7	Confident	86.1	Confident	19 Å²	19	34.6 Å²	34.6	12%	0.115	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.1	-164.2	-154.2	0	0	0	0	114.4	T244 Q523 Y533	T244-V535 HydrophobicContact CG2-CB 4.36Å; T244-V535 HydrophobicContact CG2-CG1 3.66Å; Q523-V535 HydrophobicContact CB-CB 4.39Å; Q523-V535 HydrophobicContact CB-CG2 3.9Å; Q523-V535 HydrophobicContact CG-CB 4.49Å; Q523-V535 HydrophobicContact CG-CG2 3.69Å; Q523-V535 WeakPolarHBondContact O-CG2 3.28Å; Q523-V535 PolarHBondContact O-N 3.46Å; Y533-V535 HydrophobicContact CD1-CG2 4.38Å; Y533-V535 HydrophobicContact CE1-CB 4.13Å; Y533-V535 HydrophobicContact CE1-CG1 3.99Å; Y533-V535 HydrophobicContact CE1-CG2 4.13Å
536	S	83.2	Confident	84.8	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.007	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-28.8	-179.5	66.1	0	0	0	0	114.4	R73 E503 G520 S521 Q534	R73-S536 PolarHBondContact NH2-O 3.2Å; E503-S536 WeakPolarHBondContact OE1-CB 3.47Å; E503-S536 PolarHBondContact OE1-OG 2.84Å; G520-S536 VanDerWaalsContact C-OG 3.32Å; G520-S536 PolarHBondContact O-OG 2.94Å; S521-S536 WeakPolarHBondContact CA-OG 3.46Å; S521-S536 PolarHBondContact N-OG 2.95Å; Q534-S536 PolarHBondContact NE2-OG 2.84Å; Q534-S536 PolarHBondContact OE1-OG 3.05Å
537	V	87.4	Confident	83.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-18.3	174.9	-59.8	0	0	0	0	113.5	I64 R73 V501 T506 Q534 Q539 M555	I64-V537 WeakPolarHBondContact CD1-O 3.49Å; R73-V537 PolarHBondContact NE-O 3.44Å; V501-V537 HydrophobicContact CB-CG1 4.48Å; V501-V537 HydrophobicContact CG1-CG1 3.74Å; V501-V537 HydrophobicContact CG1-CG2 4.17Å; T506-V537 HydrophobicContact CG2-CB 4.23Å; T506-V537 HydrophobicContact CG2-CG1 4.11Å; Q534-V537 HydrophobicContact CB-CG2 3.74Å; Q534-V537 HydrophobicContact CG-CG2 4.07Å; Q534-V537 VanDerWaalsContact OE1-CG2 3.3Å; V537-Q539 HydrophobicContact CG2-CB 3.98Å; V537-Q539 PolarHBondContact O-N 3.03Å; V537-M555 HydrophobicContact CG2-CE 3.93Å
538	G	89.3	Confident	83	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.			trans	75.9	8.6	179.2	0	0	0	0	0	113.8	G62 I64 Y533 Q534	G62-G538 WeakPolarHBondContact O-CA 3.37Å; I64-G538 VanDerWaalsContact CB-O 3.32Å; I64-G538 WeakPolarHBondContact CB-O 3.48Å; I64-G538 WeakPolarHBondContact CG1-O 3.47Å; I64-G538 PolarHBondContact N-O 2.99Å; Y533-G538 VanDerWaalsContact CE2-C 3.42Å; Q534-G538 PolarHBondContact O-N 3.21Å
539	Q	91.8	Very high	82.5	Confident	10 Å²	10	37.5 Å²	37.5	5%	0.047	22%	0.224	C	C	.	.			trans	-113.1	164.8	-173.4	-70.2	-176.9	-38.6	0	0	111.7	I64 T506 Q534 V537 M555 A556 C558	I64-Q539 HydrophobicContact CD1-CG 3.88Å; T506-Q539 PolarHBondContact O-OE1 2.91Å; Q534-Q539 PolarHBondContact N-O 2.84Å; V537-Q539 HydrophobicContact CG2-CB 3.98Å; V537-Q539 PolarHBondContact O-N 3.03Å; Q539-M555 HydrophobicContact CB-CB 3.99Å; Q539-M555 HydrophobicContact CB-CE 3.88Å; Q539-M555 VanDerWaalsContact O-CE 3.27Å; Q539-M555 WeakPolarHBondContact O-CE 3.44Å; Q539-M555 VanDerWaalsContact OE1-CB 3.22Å; Q539-A556 WeakPolarHBondContact CA-O 3.47Å; Q539-A556 VanDerWaalsContact CB-O 3.3Å; Q539-A556 WeakPolarHBondContact CB-O 3.4Å; Q539-C558 VanDerWaalsContact C-SG 3.5Å
540	C	93	Very high	81.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.2	178.9	-70.6	0	0	0	0	110.5	L532 A542 A556 C558	L532-C540 WeakPolarHBondContact O-CA 3.33Å; C540-A542 PolarHBondContact O-N 2.74Å; C540-A556 PolarHBondContact N-O 2.91Å; C540-A556 PolarHBondContact O-N 2.84Å; C540-C558 HydrophobicContact CB-CB 4.02Å; C540-C558 WeakPolarHBondContact CB-SG 3.28Å; C540-C558 PolarHBondContact N-SG 3.34Å; C540-C558 WeakPolarHBondContact SG-CB 3.49Å; C540-C558 CovalentContact SG-SG 2.04Å; C540-C558 PolarHBondContact SG-SG 3.03Å
541	L	93.9	Very high	81.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	126.3	172.1	-173.6	66.6	0	0	0	109.5	L456 P510 W524 L532 V553 M555 W566	L456-L541 HydrophobicContact CD1-CD2 4.43Å; L456-L541 HydrophobicContact CD2-CD2 4.04Å; P510-L541 HydrophobicContact CG-CD1 3.56Å; W524-L541 HydrophobicContact CZ3-CB 4.31Å; L532-L541 HydrophobicContact CB-CB 4.16Å; L532-L541 HydrophobicContact CD2-CB 4.17Å; L532-L541 HydrophobicContact CD2-CD2 3.66Å; L532-L541 PolarHBondContact O-N 3.09Å; L541-V553 HydrophobicContact CD1-CB 3.89Å; L541-V553 HydrophobicContact CD1-CG2 3.95Å; L541-V553 HydrophobicContact CG-CB 4.5Å; L541-M555 HydrophobicContact CD1-SD 4.14Å; L541-W566 HydrophobicContact CD2-CD2 4.24Å; L541-W566 HydrophobicContact CD2-CH2 4.02Å; L541-W566 HydrophobicContact CD2-CZ2 3.62Å; L541-W566 HydrophobicContact CD2-CZ3 4.5Å; L541-W566 HydrophobicContact CG-CH2 4.5Å; L541-W566 HydrophobicContact CG-CZ2 3.71Å; L541-W566 PolarHBondContact O-NE1 3.08Å
542	A	92.6	Very high	80.9	Confident	7 Å²	7	40.4 Å²	40.4	6%	0.058	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.8	-179.8	0	0	0	0	0	111.5	C540 V553 A554 A556 Q564	C540-A542 PolarHBondContact O-N 2.74Å; A542-V553 CarbonylContact O-C 3.58Å; A542-V553 VanDerWaalsContact O-CA 3.26Å; A542-V553 WeakPolarHBondContact O-CA 3.32Å; A542-V553 WeakPolarHBondContact O-CB 3.48Å; A542-A554 PolarHBondContact N-O 2.97Å; A542-A554 PolarHBondContact O-N 3.46Å; A542-A556 HydrophobicContact CB-CB 3.82Å; A542-Q564 HydrophobicContact CB-CG 3.89Å
543	V	91.3	Very high	80.8	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.9	166.8	-171.7	0	0	0	0	109.6	N449 T452 L471 V563 W566	N449-V543 HydrophobicContact CB-CG2 4.38Å; N449-V543 WeakPolarHBondContact ND2-CG2 3.31Å; T452-V543 HydrophobicContact CG2-CG1 4.31Å; T452-V543 HydrophobicContact CG2-CG2 4.36Å; L471-V543 HydrophobicContact CD1-CB 4.28Å; L471-V543 HydrophobicContact CD1-CG1 3.69Å; L471-V543 HydrophobicContact CD1-CG2 3.6Å; V543-V563 HydrophobicContact CB-CB 4.13Å; V543-V563 HydrophobicContact CB-CG1 4.42Å; V543-V563 HydrophobicContact CG2-CB 4.42Å; V543-V563 PolarHBondContact N-O 2.87Å; V543-W566 HydrophobicContact CG2-CH2 4.41Å; V543-W566 HydrophobicContact CG2-CZ2 4.23Å
544	S	85.6	Confident	80.7	Confident	41 Å²	41	42 Å²	42	29%	0.287	24%	0.236	S	C	.	.			trans	-65.1	135.8	179.3	-58.2	0	0	0	0	111.1	P546 A547 Y552 A554	S544-P546 CarbonylContact O-C 2.97Å; S544-A547 WeakPolarHBondContact O-CA 3.2Å; S544-A547 PolarHBondContact O-N 3.38Å; S544-Y552 PolarHBondContact N-O 3.42Å; S544-Y552 PolarHBondContact OG-O 3.23Å; S544-A554 WeakPolarHBondContact OG-CB 3.26Å
545	R	73.3	Confident	80.7	Confident	195 Å²	195	42.9 Å²	42.9	74%	0.736	24%	0.241	S	C	*	.	S	Bend	trans	-108.2	136.7	175.1	-72	-172.9	175.2	179.6	-0.3	111.3
546	P	62.4	Low	80.9	Confident	125 Å²	125	43.4 Å²	43.4	81%	0.812	25%	0.247	S	C	*	.	S	Bend	cis	-67.5	146.8	-5.8	28.8	-32.9	0	0	0	111	S544 G548	S544-P546 CarbonylContact O-C 2.97Å; P546-G548 VanDerWaalsContact C-N 3.31Å; P546-G548 PolarHBondContact O-N 2.95Å
547	A	59.3	Low	81.3	Confident	64 Å²	64	45.2 Å²	45.2	53%	0.529	26%	0.257	S	S	.	.			trans	-65.9	93.5	176.7	0	0	0	0	0	108.4	S544	S544-A547 WeakPolarHBondContact O-CA 3.2Å; S544-A547 PolarHBondContact O-N 3.38Å
548	G	58.7	Low	81.5	Confident	26 Å²	26	45.3 Å²	45.3	27%	0.268	26%	0.257	S	S	.	.			trans	-56.1	162.4	173.4	0	0	0	0	0	110.5	P546 K550 G551	P546-G548 VanDerWaalsContact C-N 3.31Å; P546-G548 PolarHBondContact O-N 2.95Å; G548-K550 PolarHBondContact O-N 3.44Å; G548-G551 PolarHBondContact O-N 2.96Å
549	P	56.3	Low	81.5	Confident	138 Å²	138	50.4 Å²	50.4	90%	0.896	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.5	-176.3	18.8	-30.6	0	0	0	114
550	K	61.4	Low	81.2	Confident	115 Å²	115	51.3 Å²	51.3	50%	0.5	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.4	176.7	-66.8	178	176	-179.7	0	114.6	G548 Y552	G548-K550 PolarHBondContact O-N 3.44Å; K550-Y552 HydrophobicContact CB-CD2 4.24Å; K550-Y552 HydrophobicContact CB-CE2 3.77Å; K550-Y552 HydrophobicContact CD-CE2 3.99Å; K550-Y552 WeakPolarHBondContact CD-OH 3.5Å; K550-Y552 HydrophobicContact CG-CE2 4.44Å
551	G	69.7	Low	81	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.01	31%	0.309	C	S	.	.			trans	60.9	58.2	178.9	0	0	0	0	0	113.5	L471 G548	L471-G551 WeakPolarHBondContact CB-O 3.3Å; L471-G551 PolarHBondContact N-O 2.76Å; G548-G551 PolarHBondContact O-N 2.96Å
552	Y	84.9	Confident	80.8	Confident	98 Å²	98	59 Å²	59	38%	0.384	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-66.4	150.1	178.8	-69.3	-73.2	0	0	0	112.3	V470 S544 K550	V470-Y552 HydrophobicContact CG1-CD1 3.98Å; V470-Y552 HydrophobicContact CG1-CE1 4.09Å; S544-Y552 PolarHBondContact N-O 3.42Å; S544-Y552 PolarHBondContact OG-O 3.23Å; K550-Y552 HydrophobicContact CB-CD2 4.24Å; K550-Y552 HydrophobicContact CB-CE2 3.77Å; K550-Y552 HydrophobicContact CD-CE2 3.99Å; K550-Y552 WeakPolarHBondContact CD-OH 3.5Å; K550-Y552 HydrophobicContact CG-CE2 4.44Å
553	V	90.8	Very high	80.7	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.024	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	153.3	172.6	-62.1	0	0	0	0	110.2	L456 V469 L471 P510 L541 A542 W566	L456-V553 HydrophobicContact CD1-CG1 3.94Å; L456-V553 HydrophobicContact CD1-CG2 4Å; V469-V553 HydrophobicContact CG2-CG2 3.77Å; L471-V553 HydrophobicContact CG-CG1 4.18Å; P510-V553 HydrophobicContact CG-CG2 4.49Å; L541-V553 HydrophobicContact CD1-CB 3.89Å; L541-V553 HydrophobicContact CD1-CG2 3.95Å; L541-V553 HydrophobicContact CG-CB 4.5Å; A542-V553 CarbonylContact O-C 3.58Å; A542-V553 VanDerWaalsContact O-CA 3.26Å; A542-V553 WeakPolarHBondContact O-CA 3.32Å; A542-V553 WeakPolarHBondContact O-CB 3.48Å; V553-W566 HydrophobicContact CG1-CH2 3.86Å; V553-W566 HydrophobicContact CG1-CZ2 4.18Å
554	A	90.6	Very high	80.8	Confident	30 Å²	30	59.3 Å²	59.3	25%	0.248	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	167.3	177.9	0	0	0	0	0	110.4	A542 S544	A542-A554 PolarHBondContact N-O 2.97Å; A542-A554 PolarHBondContact O-N 3.46Å; S544-A554 WeakPolarHBondContact OG-CB 3.26Å
555	M	92	Very high	81.2	Confident	19 Å²	19	60.2 Å²	60.2	9%	0.094	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.4	168.9	-59.5	-51.3	-58.2	0	0	109.4	V501 P510 W524 Q534 V537 Q539 L541	V501-M555 HydrophobicContact CG1-CG 3.94Å; V501-M555 HydrophobicContact CG2-CG 4.08Å; V501-M555 HydrophobicContact CG2-SD 3.9Å; P510-M555 HydrophobicContact CG-CG 4.31Å; P510-M555 HydrophobicContact CG-SD 3.76Å; W524-M555 HydrophobicContact CH2-CE 4.23Å; W524-M555 HydrophobicContact CH2-SD 3.87Å; W524-M555 HydrophobicContact CZ3-CE 4.07Å; W524-M555 HydrophobicContact CZ3-SD 4.2Å; Q534-M555 HydrophobicContact CB-CE 3.56Å; Q534-M555 HydrophobicContact CG-CE 4.45Å; V537-M555 HydrophobicContact CG2-CE 3.93Å; Q539-M555 HydrophobicContact CB-CB 3.99Å; Q539-M555 HydrophobicContact CB-CE 3.88Å; Q539-M555 VanDerWaalsContact O-CE 3.27Å; Q539-M555 WeakPolarHBondContact O-CE 3.44Å; Q539-M555 VanDerWaalsContact OE1-CB 3.22Å; L541-M555 HydrophobicContact CD1-SD 4.14Å
556	A	91.1	Very high	82.1	Confident	30 Å²	30	51 Å²	51	25%	0.248	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162.1	-177.7	0	0	0	0	0	111.9	Q539 C540 A542 C558	Q539-A556 WeakPolarHBondContact CA-O 3.47Å; Q539-A556 VanDerWaalsContact CB-O 3.3Å; Q539-A556 WeakPolarHBondContact CB-O 3.4Å; C540-A556 PolarHBondContact N-O 2.91Å; C540-A556 PolarHBondContact O-N 2.84Å; A542-A556 HydrophobicContact CB-CB 3.82Å; A556-C558 PolarHBondContact O-N 2.98Å
557	I	92	Very high	83.6	Confident	40 Å²	40	49 Å²	49	21%	0.205	28%	0.284	C	S	.	.			trans	-53.3	132.7	171	-66.1	175	0	0	0	109.1	I64 F65 E67 D559 Q564	I64-I557 HydrophobicContact CG2-CG1 3.97Å; I64-I557 HydrophobicContact CG2-CG2 4.31Å; F65-I557 WeakPolarHBondContact O-CG2 3.45Å; E67-I557 HydrophobicContact CG-CD1 3.89Å; I557-D559 VanDerWaalsContact C-N 3.31Å; I557-D559 PolarHBondContact O-N 3.29Å; I557-Q564 PolarHBondContact O-NE2 2.67Å
558	C	91.2	Very high	85.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.007	26%	0.263	C	S	.	.			trans	-77.1	75.9	-175.7	-66.6	0	0	0	0	111.9	M63 I64 Q539 C540 A556	M63-C558 HydrophobicContact CG-CB 3.46Å; M63-C558 VanDerWaalsContact CG-CB 3.46Å; M63-C558 WeakPolarHBondContact CG-SG 3.34Å; M63-C558 HydrophobicContact SD-CB 3.61Å; I64-C558 WeakPolarHBondContact O-CB 3.43Å; I64-C558 PolarHBondContact O-N 3.47Å; Q539-C558 VanDerWaalsContact C-SG 3.5Å; C540-C558 HydrophobicContact CB-CB 4.02Å; C540-C558 WeakPolarHBondContact CB-SG 3.28Å; C540-C558 PolarHBondContact N-SG 3.34Å; C540-C558 WeakPolarHBondContact SG-CB 3.49Å; C540-C558 CovalentContact SG-SG 2.04Å; C540-C558 PolarHBondContact SG-SG 3.03Å; A556-C558 PolarHBondContact O-N 2.98Å
559	D	89.3	Confident	86.5	Confident	107 Å²	107	47.5 Å²	47.5	57%	0.572	26%	0.259	S	S	*	.			trans	-87.9	-9.6	-179.2	65.2	2.2	0	0	0	113.7	I557 A561 Q564	I557-D559 VanDerWaalsContact C-N 3.31Å; I557-D559 PolarHBondContact O-N 3.29Å; D559-A561 VanDerWaalsContact C-N 3.29Å; D559-A561 PolarHBondContact O-N 3.45Å; D559-A561 WeakPolarHBondContact OD1-CB 3.4Å; D559-A561 PolarHBondContact OD1-N 3.4Å; D559-Q564 PolarHBondContact OD1-NE2 2.79Å; D559-Q564 PolarHBondContact OD1-OE1 2.89Å
560	G	85.9	Confident	87.3	Confident	29 Å²	29	45.6 Å²	45.6	30%	0.299	27%	0.265	S	S	.	.			trans	76.1	14.1	-178.1	0	0	0	0	0	114.3
561	A	89.6	Confident	88.5	Confident	33 Å²	33	42.2 Å²	42.2	27%	0.273	25%	0.253	S	S	.	.			trans	-56.5	152.3	173.2	0	0	0	0	0	111.5	D559 V563 Q564	D559-A561 VanDerWaalsContact C-N 3.29Å; D559-A561 PolarHBondContact O-N 3.45Å; D559-A561 WeakPolarHBondContact OD1-CB 3.4Å; D559-A561 PolarHBondContact OD1-N 3.4Å; A561-V563 HydrophobicContact CB-CG2 4.02Å; A561-V563 PolarHBondContact O-N 3.08Å; A561-Q564 WeakPolarHBondContact O-CA 3.38Å; A561-Q564 WeakPolarHBondContact O-CB 3.48Å; A561-Q564 PolarHBondContact O-N 2.78Å
562	E	89.2	Confident	89.5	Confident	129 Å²	129	44.3 Å²	44.3	60%	0.603	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-56	-31.6	-177.8	-61.2	-176.4	158.6	0	0	112.9	A451 Q564 Q565	A451-E562 HydrophobicContact CB-CB 3.89Å; A451-E562 WeakPolarHBondContact CB-O 3.07Å; E562-Q564 PolarHBondContact O-N 3.4Å; E562-Q564 VanDerWaalsContact O-N 3.17Å; E562-Q565 WeakPolarHBondContact O-CB 3.34Å; E562-Q565 PolarHBondContact O-N 2.86Å; E562-Q565 VanDerWaalsContact O-N 3.09Å
563	V	90.6	Very high	89.8	Confident	17 Å²	17	41.3 Å²	41.3	10%	0.103	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-66.7	-12.3	176.9	-64.6	0	0	0	0	113.7	N449 A451 V543 A561	N449-V563 PolarHBondContact ND2-O 3.3Å; A451-V563 HydrophobicContact CB-CG1 4.14Å; V543-V563 HydrophobicContact CB-CB 4.13Å; V543-V563 HydrophobicContact CB-CG1 4.42Å; V543-V563 HydrophobicContact CG2-CB 4.42Å; V543-V563 PolarHBondContact N-O 2.87Å; A561-V563 HydrophobicContact CB-CG2 4.02Å; A561-V563 PolarHBondContact O-N 3.08Å
564	Q	92.9	Very high	89.7	Confident	3 Å²	3	43.5 Å²	43.5	1%	0.014	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-100.6	1.8	176.3	-52.8	-167.5	-13.5	0	0	113	A542 I557 D559 A561 E562	A542-Q564 HydrophobicContact CB-CG 3.89Å; I557-Q564 PolarHBondContact O-NE2 2.67Å; D559-Q564 PolarHBondContact OD1-NE2 2.79Å; D559-Q564 PolarHBondContact OD1-OE1 2.89Å; A561-Q564 WeakPolarHBondContact O-CA 3.38Å; A561-Q564 WeakPolarHBondContact O-CB 3.48Å; A561-Q564 PolarHBondContact O-N 2.78Å; E562-Q564 PolarHBondContact O-N 3.4Å; E562-Q564 VanDerWaalsContact O-N 3.17Å
565	Q	93.2	Very high	89.7	Confident	60 Å²	60	44.4 Å²	44.4	28%	0.28	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-91.1	118.9	-179.7	-61.2	-174.7	-0	0	0	110.4	N449 L450 N530 E562	N449-Q565 WeakPolarHBondContact CA-O 3.47Å; N449-Q565 PolarHBondContact ND2-O 2.92Å; L450-Q565 HydrophobicContact CB-CB 4.03Å; L450-Q565 HydrophobicContact CD1-CB 3.87Å; L450-Q565 HydrophobicContact CG-CB 4.06Å; L450-Q565 PolarHBondContact N-O 2.83Å; N530-Q565 HydrophobicContact CB-CB 4.46Å; N530-Q565 CarbonylContact O-C 3.54Å; N530-Q565 WeakPolarHBondContact O-CA 3.31Å; E562-Q565 WeakPolarHBondContact O-CB 3.34Å; E562-Q565 PolarHBondContact O-N 2.86Å; E562-Q565 VanDerWaalsContact O-N 3.09Å
566	W	93.8	Very high	89.5	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.9	-176.5	-60.2	90.9	0	0	0	110.3	R448 N449 L456 L471 N530 L532 L541 V543 V553	R448-W566 CarbonylContact O-C 3.55Å; R448-W566 VanDerWaalsContact O-CA 3.31Å; R448-W566 WeakPolarHBondContact O-CA 3.48Å; N449-W566 HydrophobicContact CB-CD2 4.29Å; N449-W566 HydrophobicContact CB-CE3 3.8Å; N449-W566 HydrophobicContact CB-CH2 3.89Å; N449-W566 HydrophobicContact CB-CZ2 4.33Å; N449-W566 HydrophobicContact CB-CZ3 3.6Å; L456-W566 HydrophobicContact CB-CZ3 3.99Å; L456-W566 HydrophobicContact CD1-CH2 4.24Å; L456-W566 HydrophobicContact CD1-CZ3 4.41Å; L471-W566 HydrophobicContact CD2-CH2 3.74Å; L471-W566 HydrophobicContact CD2-CZ3 3.82Å; N530-W566 WeakPolarHBondContact CB-O 3.24Å; N530-W566 PolarHBondContact O-N 2.8Å; L532-W566 HydrophobicContact CB-CB 4.33Å; L532-W566 HydrophobicContact CB-CG 4.17Å; L541-W566 HydrophobicContact CD2-CD2 4.24Å; L541-W566 HydrophobicContact CD2-CH2 4.02Å; L541-W566 HydrophobicContact CD2-CZ2 3.62Å; L541-W566 HydrophobicContact CD2-CZ3 4.5Å; L541-W566 HydrophobicContact CG-CH2 4.5Å; L541-W566 HydrophobicContact CG-CZ2 3.71Å; L541-W566 PolarHBondContact O-NE1 3.08Å; V543-W566 HydrophobicContact CG2-CH2 4.41Å; V543-W566 HydrophobicContact CG2-CZ2 4.23Å; V553-W566 HydrophobicContact CG1-CH2 3.86Å; V553-W566 HydrophobicContact CG1-CZ2 4.18Å
567	Q	93.4	Very high	89.4	Confident	84 Å²	84	47.2 Å²	47.2	39%	0.393	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.7	175.9	-171.5	172.6	6.4	0	0	109.2	R446 R448 L450 E569	R446-Q567 VanDerWaalsContact O-O 3.11Å; R448-Q567 PolarHBondContact N-O 3.41Å; R448-Q567 PolarHBondContact O-N 3.44Å; L450-Q567 HydrophobicContact CD2-CB 4.04Å; Q567-E569 HydrophobicContact CB-CG 4.32Å; Q567-E569 HydrophobicContact CG-CG 3.84Å
568	L	91	Very high	89.2	Confident	20 Å²	20	47.8 Å²	47.8	11%	0.105	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	106.8	170.7	-171.6	61.8	0	0	0	107.9	Q443 R446 L447 W483	Q443-L568 HydrophobicContact CB-CD2 3.51Å; Q443-L568 HydrophobicContact CB-CG 4.46Å; R446-L568 WeakPolarHBondContact O-CA 3.4Å; L447-L568 HydrophobicContact CD2-CB 4.02Å; L447-L568 HydrophobicContact CD2-CD1 3.74Å; L447-L568 HydrophobicContact CD2-CG 4.4Å; L447-L568 HydrophobicContact CG-CD1 3.81Å; W483-L568 HydrophobicContact CB-CD1 4.06Å
569	E	87.3	Confident	89.1	Confident	39 Å²	39	51.7 Å²	51.7	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	115	-175.2	-64.3	179.1	171	0	0	110.4	G445 R446 R448 Q567	G445-E569 CarbonylContact C-O 3.6Å; G445-E569 VanDerWaalsContact CA-O 3.23Å; G445-E569 WeakPolarHBondContact CA-O 3.35Å; R446-E569 PolarHBondContact N-O 2.93Å; R446-E569 PolarHBondContact O-N 3.48Å; R448-E569 VanDerWaalsContact CD-OE1 3.23Å; R448-E569 WeakPolarHBondContact CD-OE1 3.47Å; R448-E569 WeakPolarHBondContact CD-OE2 3.12Å; R448-E569 IonicContact CZ-OE1 3.87Å; R448-E569 IonicContact NE-OE1 3.81Å; R448-E569 IonicContact NH1-OE1 3.01Å; R448-E569 PolarHBondContact NH1-OE1 2.83Å; R448-E569 IonicContact NH1-OE2 3.65Å; Q567-E569 HydrophobicContact CB-CG 4.32Å; Q567-E569 HydrophobicContact CG-CG 3.84Å
570	G	72.6	Confident	89	Confident	98 Å²	98	46.6 Å²	46.6	100%	1.01	30%	0.297	S	S	*	.			trans	-75.1	0	175	0	0	0	0	0	114.1	H444	H444-G570 WeakPolarHBondContact O-CA 3.13Å

Retrieved 570 of 570 residues in 137.7 ms (Link to these results)

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